A0A087XRV2_POEFO Loading...

Prolactin receptor

AlphaFold DB , UniProt , Accession A0A087XRV2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 641 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
1T59.4Low70.8Confident168 Ų168120.5 Ų120.5100%1.03164%0.644SS**  0-61.7044.30000112.4K3 K4T1-K3 VanDerWaalsContact C-N 3.33Å; T1-K3 PolarHBondContact O-N 3.24Å; T1-K4 PolarHBondContact O-N 2.93Å; T1-K4 VanDerWaalsContact O-N 3.12Å
2M56Low71.7Confident165 Ų165124.1 Ų124.181%0.81364%0.642SS**Hα-helixtrans-45-39.4-169.5-71.7172.416900117.5K4 V5 G6M2-K4 VanDerWaalsContact C-N 3.32Å; M2-K4 PolarHBondContact O-N 3.23Å; M2-V5 WeakPolarHBondContact O-CB 3.26Å; M2-V5 PolarHBondContact O-N 3.39Å; M2-G6 PolarHBondContact O-N 2.71Å
3K58.3Low72.5Confident194 Ų194121.1 Ų121.184%0.84363%0.627SS**Hα-helixtrans-53.7-43.6179.1-74.3-168.7174.1-173.30113.5T1 V5 G6 E7T1-K3 VanDerWaalsContact C-N 3.33Å; T1-K3 PolarHBondContact O-N 3.24Å; K3-V5 VanDerWaalsContact C-N 3.26Å; K3-V5 PolarHBondContact O-N 2.88Å; K3-G6 PolarHBondContact O-N 2.65Å; K3-E7 WeakPolarHBondContact O-CB 3.38Å; K3-E7 PolarHBondContact O-N 3.43Å; K3-E7 VanDerWaalsContact O-N 3.07Å
4K61.4Low73Confident160 Ų160118.9 Ų118.970%0.69662%0.616SS**Hα-helixtrans-65.5-27.8178.1-73.1-164.9171.8-167.40113.1T1 M2 V8T1-K4 PolarHBondContact O-N 2.93Å; T1-K4 VanDerWaalsContact O-N 3.12Å; M2-K4 VanDerWaalsContact C-N 3.32Å; M2-K4 PolarHBondContact O-N 3.23Å; K4-V8 WeakPolarHBondContact O-CB 3.3Å; K4-V8 VanDerWaalsContact O-CG2 3.29Å; K4-V8 WeakPolarHBondContact O-CG2 3.44Å; K4-V8 PolarHBondContact O-N 3.34Å
5V69.1Low73.2Confident93 Ų93115.7 Ų115.756%0.56460%0.599SS**Hα-helixtrans-72.4-44.7177.7-175.20000110.1M2 K3 E7 V8 V9M2-V5 WeakPolarHBondContact O-CB 3.26Å; M2-V5 PolarHBondContact O-N 3.39Å; K3-V5 VanDerWaalsContact C-N 3.26Å; K3-V5 PolarHBondContact O-N 2.88Å; V5-E7 VanDerWaalsContact C-N 3.32Å; V5-E7 PolarHBondContact O-N 2.73Å; V5-V8 PolarHBondContact O-N 3.18Å; V5-V9 WeakPolarHBondContact O-CB 3.37Å; V5-V9 VanDerWaalsContact O-CG2 3.31Å; V5-V9 WeakPolarHBondContact O-CG2 3.31Å; V5-V9 PolarHBondContact O-N 3.24Å
6G73.9Confident73.2Confident45 Ų45114.1 Ų114.146%0.46459%0.591SS.*Hα-helixtrans-62.3-38.8174.700000113M2 K3 V9 L10M2-G6 PolarHBondContact O-N 2.71Å; K3-G6 PolarHBondContact O-N 2.65Å; G6-V9 PolarHBondContact O-N 3.48Å; G6-L10 WeakPolarHBondContact O-CB 3.49Å; G6-L10 PolarHBondContact O-N 3.48Å
7E74.8Confident72.7Confident131 Ų131116.2 Ų116.261%0.61260%0.595SS**Hα-helixtrans-65.2-44.1176.5-169.9167.8-136.100112.3K3 V5 L10 L11K3-E7 WeakPolarHBondContact O-CB 3.38Å; K3-E7 PolarHBondContact O-N 3.43Å; K3-E7 VanDerWaalsContact O-N 3.07Å; V5-E7 VanDerWaalsContact C-N 3.32Å; V5-E7 PolarHBondContact O-N 2.73Å; E7-L10 PolarHBondContact O-N 2.81Å; E7-L11 PolarHBondContact O-N 3.18Å
8V80.7Confident72.3Confident79 Ų79116.1 Ų116.148%0.47959%0.594SS.*Hα-helixtrans-65.3-42.2173.2167.70000111.7K4 V5 L10 L11 W12K4-V8 WeakPolarHBondContact O-CB 3.3Å; K4-V8 VanDerWaalsContact O-CG2 3.29Å; K4-V8 WeakPolarHBondContact O-CG2 3.44Å; K4-V8 PolarHBondContact O-N 3.34Å; V5-V8 PolarHBondContact O-N 3.18Å; V8-L10 VanDerWaalsContact C-N 3.34Å; V8-L10 PolarHBondContact O-N 3.41Å; V8-L11 WeakPolarHBondContact O-CB 3.35Å; V8-L11 PolarHBondContact O-N 3.45Å; V8-W12 VanDerWaalsContact O-CD1 3.28Å; V8-W12 PolarHBondContact O-N 3.33Å
9V82Confident71.6Confident77 Ų77117.4 Ų117.447%0.46760%0.598SS.*Hα-helixtrans-63.6-39.7176.1168.80000111.3V5 G6 L11 W12 L13V5-V9 WeakPolarHBondContact O-CB 3.37Å; V5-V9 VanDerWaalsContact O-CG2 3.31Å; V5-V9 WeakPolarHBondContact O-CG2 3.31Å; V5-V9 PolarHBondContact O-N 3.24Å; G6-V9 PolarHBondContact O-N 3.48Å; V9-L11 VanDerWaalsContact C-N 3.33Å; V9-L11 PolarHBondContact O-N 2.75Å; V9-W12 PolarHBondContact O-N 2.78Å; V9-L13 HydrophobicContact CG1-CD1 3.99Å; V9-L13 HydrophobicContact CG1-CG 4.44Å; V9-L13 WeakPolarHBondContact O-CB 3.38Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.21Å; V9-L13 PolarHBondContact O-N 2.97Å
10L81.1Confident70.8Confident107 Ų107118 Ų11856%0.5660%0.602SS**Hα-helixtrans-61.8-41.4173.1-168.776000111.3G6 E7 V8 L13 L14G6-L10 WeakPolarHBondContact O-CB 3.49Å; G6-L10 PolarHBondContact O-N 3.48Å; E7-L10 PolarHBondContact O-N 2.81Å; V8-L10 VanDerWaalsContact C-N 3.34Å; V8-L10 PolarHBondContact O-N 3.41Å; L10-L13 PolarHBondContact O-N 2.93Å; L10-L14 HydrophobicContact CG-CD1 4.24Å; L10-L14 WeakPolarHBondContact O-CB 3.4Å; L10-L14 VanDerWaalsContact O-CG 3.3Å; L10-L14 WeakPolarHBondContact O-CG 3.48Å; L10-L14 PolarHBondContact O-N 2.95Å
11L82.1Confident70Confident106 Ų106116.4 Ų116.456%0.55561%0.607SS**Hα-helixtrans-63.7-44.6177.3-152.493.7000112E7 V8 V9 L14 I15E7-L11 PolarHBondContact O-N 3.18Å; V8-L11 WeakPolarHBondContact O-CB 3.35Å; V8-L11 PolarHBondContact O-N 3.45Å; V9-L11 VanDerWaalsContact C-N 3.33Å; V9-L11 PolarHBondContact O-N 2.75Å; L11-L14 PolarHBondContact O-N 2.89Å; L11-I15 HydrophobicContact CD2-CD1 4.16Å; L11-I15 HydrophobicContact CG-CD1 4.34Å; L11-I15 VanDerWaalsContact O-CG1 3.29Å; L11-I15 WeakPolarHBondContact O-CG1 3.15Å; L11-I15 PolarHBondContact O-N 2.8Å
12W81.8Confident69.8Low164 Ų164112.2 Ų112.262%0.62159%0.589SS**Hα-helixtrans-63.7-41.1174.8-83.9102.1000112.4V8 V9 L14 I15 L16V8-W12 VanDerWaalsContact O-CD1 3.28Å; V8-W12 PolarHBondContact O-N 3.33Å; V9-W12 PolarHBondContact O-N 2.78Å; W12-L14 VanDerWaalsContact C-N 3.35Å; W12-I15 PolarHBondContact O-N 3.41Å; W12-L16 WeakPolarHBondContact O-CB 3.29Å; W12-L16 WeakPolarHBondContact O-CG 3.45Å; W12-L16 PolarHBondContact O-N 2.85Å
13L81.7Confident69.8Low85 Ų85106.8 Ų106.845%0.44558%0.576SS.*Hα-helixtrans-62.7-41.2173.5-73.8170.2000111.4V9 L10 L16 F17V9-L13 HydrophobicContact CG1-CD1 3.99Å; V9-L13 HydrophobicContact CG1-CG 4.44Å; V9-L13 WeakPolarHBondContact O-CB 3.38Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.21Å; V9-L13 PolarHBondContact O-N 2.97Å; L10-L13 PolarHBondContact O-N 2.93Å; L13-L16 PolarHBondContact O-N 3.42Å; L13-F17 WeakPolarHBondContact O-CB 3.48Å; L13-F17 WeakPolarHBondContact O-CD2 3.27Å; L13-F17 PolarHBondContact O-N 2.9Å
14L80.1Confident70Confident91 Ų91104.6 Ų104.648%0.47657%0.568SS.*Hα-helixtrans-64.7-42.1174.9-74.5167.2000112.1L10 L11 W12 L16 F17 I18L10-L14 HydrophobicContact CG-CD1 4.24Å; L10-L14 WeakPolarHBondContact O-CB 3.4Å; L10-L14 VanDerWaalsContact O-CG 3.3Å; L10-L14 WeakPolarHBondContact O-CG 3.48Å; L10-L14 PolarHBondContact O-N 2.95Å; L11-L14 PolarHBondContact O-N 2.89Å; W12-L14 VanDerWaalsContact C-N 3.35Å; L14-L16 VanDerWaalsContact C-N 3.35Å; L14-L16 PolarHBondContact O-N 3.08Å; L14-F17 PolarHBondContact O-N 3.15Å; L14-I18 WeakPolarHBondContact O-CB 3.42Å; L14-I18 WeakPolarHBondContact O-CD1 3.33Å; L14-I18 VanDerWaalsContact O-CG1 3.23Å; L14-I18 WeakPolarHBondContact O-CG1 3.31Å; L14-I18 PolarHBondContact O-N 3.38Å
15I75.8Confident70.5Confident71 Ų71100.1 Ų100.136%0.36457%0.568SS.*Hα-helixtrans-64.5-39.5176.3-68.8162.8000111.2L11 W12 I18 H19L11-I15 HydrophobicContact CD2-CD1 4.16Å; L11-I15 HydrophobicContact CG-CD1 4.34Å; L11-I15 VanDerWaalsContact O-CG1 3.29Å; L11-I15 WeakPolarHBondContact O-CG1 3.15Å; L11-I15 PolarHBondContact O-N 2.8Å; W12-I15 PolarHBondContact O-N 3.41Å; I15-I18 PolarHBondContact O-N 3.34Å; I15-H19 PolarHBondContact O-N 2.83Å; I15-H19 PolarHBondContact O-ND1 3.12Å
16L72.8Confident71.4Confident90 Ų90100.4 Ų100.447%0.47156%0.56SS.*Hα-helixtrans-66.8-40.7172.4-75166000111.8W12 L13 L14 I18 H19 N20W12-L16 WeakPolarHBondContact O-CB 3.29Å; W12-L16 WeakPolarHBondContact O-CG 3.45Å; W12-L16 PolarHBondContact O-N 2.85Å; L13-L16 PolarHBondContact O-N 3.42Å; L14-L16 VanDerWaalsContact C-N 3.35Å; L14-L16 PolarHBondContact O-N 3.08Å; L16-I18 VanDerWaalsContact C-N 3.33Å; L16-H19 PolarHBondContact O-N 2.89Å; L16-N20 WeakPolarHBondContact O-CB 3.42Å; L16-N20 PolarHBondContact O-N 3.49Å; L16-N20 PolarHBondContact O-ND2 2.91Å
17F65.7Low72.1Confident149 Ų149100.5 Ų100.565%0.65455%0.553SS**Hα-helixtrans-65.5-35.9174.1-96.6-74.4000111.9L13 L14 N20 A21L13-F17 WeakPolarHBondContact O-CB 3.48Å; L13-F17 WeakPolarHBondContact O-CD2 3.27Å; L13-F17 PolarHBondContact O-N 2.9Å; L14-F17 PolarHBondContact O-N 3.15Å; F17-N20 PolarHBondContact O-N 2.96Å; F17-A21 WeakPolarHBondContact O-CB 3.35Å; F17-A21 PolarHBondContact O-N 2.85Å
18I64.7Low73Confident114 Ų11498.1 Ų98.159%0.58555%0.549SS*.Hα-helixtrans-67.7-43.8174.9-70.1161.6000110.7L14 I15 L16 A21 A22L14-I18 WeakPolarHBondContact O-CB 3.42Å; L14-I18 WeakPolarHBondContact O-CD1 3.33Å; L14-I18 VanDerWaalsContact O-CG1 3.23Å; L14-I18 WeakPolarHBondContact O-CG1 3.31Å; L14-I18 PolarHBondContact O-N 3.38Å; I15-I18 PolarHBondContact O-N 3.34Å; L16-I18 VanDerWaalsContact C-N 3.33Å; I18-A21 PolarHBondContact O-N 3.31Å; I18-A22 WeakPolarHBondContact O-CB 3.19Å; I18-A22 PolarHBondContact O-N 3.16Å
19H58.9Low73.7Confident142 Ų14294.8 Ų94.866%0.65753%0.529SS*.Hα-helixtrans-63.7-39.8174.3-84.376.2000112.8I15 L16 A22I15-H19 PolarHBondContact O-N 2.83Å; I15-H19 PolarHBondContact O-ND1 3.12Å; L16-H19 PolarHBondContact O-N 2.89Å; H19-A22 PolarHBondContact O-N 3.1Å
20N55.4Low74.3Confident129 Ų12992.2 Ų92.269%0.6952%0.518SS*.Hα-helixtrans-77.8-24.1177.4-72.2-67.7000113.2L16 F17L16-N20 WeakPolarHBondContact O-CB 3.42Å; L16-N20 PolarHBondContact O-N 3.49Å; L16-N20 PolarHBondContact O-ND2 2.91Å; F17-N20 PolarHBondContact O-N 2.96Å
21A54.8Low75Confident85 Ų8591.6 Ų91.670%0.70251%0.511SS*.Hα-helixtrans-78-23.8171.300000112.2F17 I18 G23F17-A21 WeakPolarHBondContact O-CB 3.35Å; F17-A21 PolarHBondContact O-N 2.85Å; I18-A21 PolarHBondContact O-N 3.31Å; A21-G23 PolarHBondContact O-N 3.27Å
22A53.9Low75.7Confident80 Ų8086.5 Ų86.566%0.66148%0.484SS*.  trans-75.936.8166.600000112.8I18 H19I18-A22 WeakPolarHBondContact O-CB 3.19Å; I18-A22 PolarHBondContact O-N 3.16Å; H19-A22 PolarHBondContact O-N 3.1Å
23G57Low76.4Confident51 Ų5181.8 Ų81.853%0.52647%0.474SS..  trans-62.1154.416400000110.7A21 G25A21-G23 PolarHBondContact O-N 3.27Å; G23-G25 PolarHBondContact O-N 3.36Å; G23-G25 VanDerWaalsContact O-N 3.14Å
24E62.5Low77.1Confident147 Ų14783.7 Ų83.769%0.68748%0.484SS*.  trans-51.1121.7-173.7-65.9-173.7128.300112.1Y26E24-Y26 HydrophobicContact CB-CE1 4.23Å; E24-Y26 WeakPolarHBondContact O-CD2 3.25Å; E24-Y26 PolarHBondContact O-N 2.86Å; E24-Y26 PolarHBondContact OE2-OH 2.94Å
25G71.4Confident77.9Confident67 Ų6780.3 Ų80.369%0.69147%0.467SS*.  trans-73.666.1-170.500000113.5G23 S27G23-G25 PolarHBondContact O-N 3.36Å; G23-G25 VanDerWaalsContact O-N 3.14Å; G25-S27 PolarHBondContact O-N 3.45Å; G25-S27 PolarHBondContact O-OG 3.47Å
26Y87.7Confident78.8Confident98 Ų9880.1 Ų80.138%0.38447%0.471SS..  trans-54108.7-176.5-66.1-52.5000112.1E24 G55 G56 L57E24-Y26 HydrophobicContact CB-CE1 4.23Å; E24-Y26 WeakPolarHBondContact O-CD2 3.25Å; E24-Y26 PolarHBondContact O-N 2.86Å; E24-Y26 PolarHBondContact OE2-OH 2.94Å; Y26-G55 WeakPolarHBondContact CA-O 3.32Å; Y26-G56 VanDerWaalsContact CE1-O 3.28Å; Y26-G56 WeakPolarHBondContact CE1-O 3.4Å; Y26-L57 HydrophobicContact CD1-CD1 4.46Å; Y26-L57 HydrophobicContact CD1-CD2 3.48Å; Y26-L57 VanDerWaalsContact CD1-CD2 3.48Å; Y26-L57 HydrophobicContact CD1-CG 3.63Å; Y26-L57 HydrophobicContact CE1-CD2 3.84Å; Y26-L57 HydrophobicContact CE1-CG 4.37Å; Y26-L57 HydrophobicContact CG-CD1 4.49Å; Y26-L57 HydrophobicContact CG-CD2 3.9Å; Y26-L57 HydrophobicContact CG-CG 4.11Å
27S90.3Very high80Confident48 Ų4876.8 Ų76.834%0.33646%0.455SS..  trans-112.2159.2-167.814.40000111.4G25 G55 N108G25-S27 PolarHBondContact O-N 3.45Å; G25-S27 PolarHBondContact O-OG 3.47Å; S27-G55 PolarHBondContact N-O 3.39Å; S27-G55 WeakPolarHBondContact OG-CA 3.47Å; S27-G55 PolarHBondContact OG-O 2.89Å; S27-N108 PolarHBondContact O-ND2 3.44Å
28P92.5Very high81.5Confident81 Ų8173.1 Ų73.153%0.52644%0.437SS..PPolyproline II helixtrans-59.1155.3165.728.9-35.8000110
29P95.9Very high83.1Confident8 Ų867.7 Ų67.75%0.05241%0.409CS..PPolyproline II helixtrans-69.8148.5-174.331.5-33.5000110.4T59 A106 N108 G111 A113P29-T59 HydrophobicContact CB-CG2 3.74Å; P29-A106 HydrophobicContact CB-CB 3.81Å; P29-A106 HydrophobicContact CG-CB 3.93Å; P29-N108 WeakPolarHBondContact CD-OD1 3.43Å; P29-G111 WeakPolarHBondContact CD-O 3.46Å; P29-A113 HydrophobicContact CG-CB 4.23Å; P29-A113 WeakPolarHBondContact O-CB 3.38Å
30G94.8Very high84.9Confident23 Ų2362.1 Ų62.124%0.23739%0.386CS..PPolyproline II helixtrans-70.2156.8174.200000112.1P32 S53G30-P32 WeakPolarHBondContact O-CD 3.31Å; G30-S53 PolarHBondContact N-O 3.46Å
31K96.2Very high86.7Confident94 Ų9456.3 Ų56.341%0.40936%0.355SS..PPolyproline II helixtrans-58.9124.9178.5-167.2173.7-166.8-173.50111.3F114 D116K31-F114 VanDerWaalsContact CE-O 3.26Å; K31-F114 WeakPolarHBondContact CE-O 3.47Å; K31-F114 WeakPolarHBondContact CG-O 3.46Å; K31-D116 WeakPolarHBondContact CE-OD2 3.28Å; K31-D116 IonicContact NZ-OD1 2.65Å; K31-D116 PolarHBondContact NZ-OD1 2.83Å; K31-D116 IonicContact NZ-OD2 2.68Å; K31-D116 PolarHBondContact NZ-OD2 2.83Å
32P96.6Very high88.6Confident0 Ų052.9 Ų52.90%032%0.324CS..PPolyproline II helixtrans-64.2139.2167-14.727.9000110.1G30 K50 Y61 V104 A106 S115G30-P32 WeakPolarHBondContact O-CD 3.31Å; P32-K50 WeakPolarHBondContact CA-O 3.35Å; P32-Y61 HydrophobicContact CB-CE1 4.46Å; P32-Y61 HydrophobicContact CG-CD1 4.34Å; P32-Y61 HydrophobicContact CG-CE1 4.12Å; P32-V104 HydrophobicContact CB-CB 4.21Å; P32-V104 HydrophobicContact CB-CG1 3.95Å; P32-V104 HydrophobicContact CG-CB 4.44Å; P32-V104 HydrophobicContact CG-CG1 4.02Å; P32-A106 HydrophobicContact CG-CB 3.96Å; P32-S115 WeakPolarHBondContact O-CA 3.43Å; P32-S115 WeakPolarHBondContact O-CB 3.22Å
33T96.3Very high90.6Very high64 Ų6451.1 Ų51.139%0.39330%0.302SS..EExtended strand (participates in β ladder)trans-136.5169-173.651.90000111.7I35 K50T33-I35 PolarHBondContact O-N 3.27Å; T33-K50 PolarHBondContact N-O 2.85Å; T33-K50 WeakPolarHBondContact O-CA 3.45Å; T33-K50 WeakPolarHBondContact O-CB 3.48Å; T33-K50 PolarHBondContact O-N 3.25Å
34N95.6Very high92.5Very high125 Ų12550 Ų5067%0.66828%0.284SS*.EExtended strand (participates in β ladder)trans50.957.3177.2-167.625.3000112.6S36 K50N34-S36 PolarHBondContact O-N 3.29Å; N34-K50 HydrophobicContact CB-CB 4.33Å
35I96.9Very high94.1Very high21 Ų2143 Ų4311%0.10825%0.252CS..EExtended strand (participates in β ladder)trans-70.1116.4168.1-62.6172000106.8T33 W48 W49 I102 V104 S115 V118T33-I35 PolarHBondContact O-N 3.27Å; I35-W48 WeakPolarHBondContact CA-O 3.35Å; I35-W49 HydrophobicContact CG1-CB 4.08Å; I35-I102 HydrophobicContact CG2-CG2 4.38Å; I35-V104 HydrophobicContact CD1-CB 4.19Å; I35-V104 HydrophobicContact CD1-CG2 3.71Å; I35-V104 HydrophobicContact CG1-CG2 4.11Å; I35-S115 VanDerWaalsContact CD1-OG 3.26Å; I35-S115 WeakPolarHBondContact CD1-OG 3.24Å; I35-V118 HydrophobicContact CB-CG2 4.03Å; I35-V118 HydrophobicContact CD1-CG2 4.36Å; I35-V118 HydrophobicContact CG2-CG2 4.46Å
36S96.1Very high95.4Very high66 Ų6640.5 Ų40.546%0.46222%0.223SC..EExtended strand (participates in β ladder)trans-127.1132.5-179.4-179.10000109.1N34 C47 W48N34-S36 PolarHBondContact O-N 3.29Å; S36-C47 CarbonylContact O-C 3.59Å; S36-C47 WeakPolarHBondContact O-CA 3.38Å; S36-W48 PolarHBondContact N-O 2.9Å; S36-W48 PolarHBondContact O-N 3.47Å
37C97.6Very high95.9Very high20 Ų2035.8 Ų35.814%0.13521%0.205CC..EExtended strand (participates in β ladder)trans-125.1146.4-175-55.20000111.3T46 C47 I120 I125C37-T46 CarbonylContact C-O 3.56Å; C37-T46 WeakPolarHBondContact CA-O 3.22Å; C37-C47 HydrophobicContact CB-CB 4.12Å; C37-C47 WeakPolarHBondContact CB-SG 3.11Å; C37-C47 WeakPolarHBondContact SG-CB 3.39Å; C37-C47 CovalentContact SG-SG 2.04Å; C37-C47 PolarHBondContact SG-SG 3.29Å; C37-I120 HydrophobicContact CB-CD1 3.92Å; C37-I125 HydrophobicContact CB-CD1 3.71Å
38R97.4Very high96.3Very high73 Ų7338.1 Ų38.128%0.27521%0.206SC..EExtended strand (participates in β ladder)trans-141.3133-179.3178.9179.4175.9-140.2-4.7110.7F45 T46 W48 K127 P128 N129R38-F45 CarbonylContact O-C 3.47Å; R38-F45 VanDerWaalsContact O-CA 3.31Å; R38-F45 WeakPolarHBondContact O-CA 3.27Å; R38-F45 WeakPolarHBondContact O-CB 3.13Å; R38-T46 PolarHBondContact N-O 2.92Å; R38-T46 PolarHBondContact O-N 2.93Å; R38-W48 HydrophobicContact CB-CH2 4.35Å; R38-W48 HydrophobicContact CB-CZ3 3.88Å; R38-K127 HydrophobicContact CG-CB 4.09Å; R38-K127 VanDerWaalsContact CZ-O 3.24Å; R38-K127 PolarHBondContact NE-O 2.83Å; R38-K127 PolarHBondContact NH2-O 2.85Å; R38-P128 PolarHBondContact NH2-O 2.89Å; R38-P128 VanDerWaalsContact NH2-O 3.17Å; R38-N129 PolarHBondContact NH2-OD1 3.33Å
39S97.8Very high96.5Very high0 Ų035 Ų350%018%0.184CC..BIsolated β-bridgetrans-102132.2159-177.70000109.8K42 T44 I125 V126 K127S39-K42 VanDerWaalsContact OG-CA 3.28Å; S39-K42 WeakPolarHBondContact OG-CA 3.49Å; S39-K42 PolarHBondContact OG-N 3.35Å; S39-T44 WeakPolarHBondContact CA-O 3.35Å; S39-T44 VanDerWaalsContact CB-O 3.23Å; S39-T44 WeakPolarHBondContact CB-O 3.5Å; S39-T44 PolarHBondContact OG-O 2.96Å; S39-I125 PolarHBondContact N-O 2.85Å; S39-V126 CarbonylContact O-C 3.58Å; S39-V126 WeakPolarHBondContact O-CA 3.27Å; S39-K127 PolarHBondContact O-N 2.98Å
40P96Very high96.6Very high24 Ų2441 Ų4116%0.15621%0.21CC..SBendtrans-84-35173.7-2.319.3000112.8P128P40-P128 WeakPolarHBondContact O-CA 3.33Å
41E94.2Very high96.6Very high8 Ų842.1 Ų42.14%0.03721%0.213CC..SBendtrans-133.710.3-169.370.4-61.1116.900115.1E43 T44 M156E41-E43 HydrophobicContact CG-CB 4.03Å; E41-E43 HydrophobicContact CG-CG 4.2Å; E41-E43 PolarHBondContact O-N 2.88Å; E41-T44 WeakPolarHBondContact OE1-CA 3.49Å; E41-T44 WeakPolarHBondContact OE1-CB 3.5Å; E41-T44 PolarHBondContact OE1-N 3.3Å; E41-T44 PolarHBondContact OE1-OG1 3.33Å; E41-M156 HydrophobicContact CB-CB 4.13Å; E41-M156 VanDerWaalsContact CB-O 3.22Å; E41-M156 WeakPolarHBondContact CB-O 3.41Å; E41-M156 HydrophobicContact CG-CB 4.2Å; E41-M156 WeakPolarHBondContact CG-O 3.26Å
42K94.4Very high96.4Very high12 Ų1238.7 Ų38.75%0.05220%0.204CC..SBendtrans67.915.1-179.6-147.3173.1-170.3174.10113.2S39 V96 V126 W163 D211S39-K42 VanDerWaalsContact OG-CA 3.28Å; S39-K42 WeakPolarHBondContact OG-CA 3.49Å; S39-K42 PolarHBondContact OG-N 3.35Å; K42-V96 HydrophobicContact CG-CG1 3.97Å; K42-V126 HydrophobicContact CB-CG2 4.14Å; K42-V126 HydrophobicContact CD-CG2 4.3Å; K42-V126 HydrophobicContact CG-CG2 3.87Å; K42-W163 PolarHBondContact O-NE1 2.93Å; K42-W163 VanDerWaalsContact O-NE1 3.09Å; K42-D211 IonicContact NZ-OD1 3.07Å; K42-D211 PolarHBondContact NZ-OD1 3.13Å; K42-D211 IonicContact NZ-OD2 2.86Å; K42-D211 PolarHBondContact NZ-OD2 3.1Å
43E95Very high96.2Very high43 Ų4342.9 Ų42.920%0.20123%0.233CC..SBendtrans-118.8-32.7176.3-58.7-161.5143.800113.8E41 K91 T94E41-E43 HydrophobicContact CG-CB 4.03Å; E41-E43 HydrophobicContact CG-CG 4.2Å; E41-E43 PolarHBondContact O-N 2.88Å; E43-K91 HydrophobicContact CB-CD 4.37Å; E43-K91 HydrophobicContact CB-CG 4.36Å; E43-K91 VanDerWaalsContact CD-CE 3.41Å; E43-K91 WeakPolarHBondContact O-CA 3.39Å; E43-K91 VanDerWaalsContact OE1-CE 3.28Å; E43-K91 WeakPolarHBondContact OE1-CE 3.44Å; E43-K91 IonicContact OE1-NZ 2.66Å; E43-K91 PolarHBondContact OE1-NZ 3.07Å; E43-K91 WeakPolarHBondContact OE2-CD 3.45Å; E43-K91 VanDerWaalsContact OE2-CE 3.24Å; E43-K91 WeakPolarHBondContact OE2-CE 3.39Å; E43-K91 IonicContact OE2-NZ 2.85Å; E43-K91 PolarHBondContact OE2-NZ 2.86Å; E43-T94 WeakPolarHBondContact O-CB 3.48Å; E43-T94 VanDerWaalsContact O-CG2 3.29Å; E43-T94 WeakPolarHBondContact O-CG2 3.47Å
44T96.8Very high95.9Very high27 Ų2743 Ų4317%0.16623%0.231CC..  trans-122.5159.9172.470.50000109.7S39 E41 F88 F89S39-T44 WeakPolarHBondContact CA-O 3.35Å; S39-T44 VanDerWaalsContact CB-O 3.23Å; S39-T44 WeakPolarHBondContact CB-O 3.5Å; S39-T44 PolarHBondContact OG-O 2.96Å; E41-T44 WeakPolarHBondContact OE1-CA 3.49Å; E41-T44 WeakPolarHBondContact OE1-CB 3.5Å; E41-T44 PolarHBondContact OE1-N 3.3Å; E41-T44 PolarHBondContact OE1-OG1 3.33Å; T44-F88 HydrophobicContact CG2-CE2 4.25Å; T44-F88 HydrophobicContact CG2-CZ 4.07Å; T44-F89 WeakPolarHBondContact CA-O 3.34Å; T44-F89 WeakPolarHBondContact CB-O 3.28Å
45F97.5Very high95.4Very high0 Ų037.2 Ų37.20%020%0.201CC..EExtended strand (participates in β ladder)trans-145.3160.5165.572.7-82.6000111.8R38 F89 T94 Y100 I102 I120 V122 I125R38-F45 CarbonylContact O-C 3.47Å; R38-F45 VanDerWaalsContact O-CA 3.31Å; R38-F45 WeakPolarHBondContact O-CA 3.27Å; R38-F45 WeakPolarHBondContact O-CB 3.13Å; F45-F89 HydrophobicContact CD1-CB 3.62Å; F45-F89 HydrophobicContact CD1-CD2 4.45Å; F45-F89 HydrophobicContact CD1-CG 4.1Å; F45-F89 HydrophobicContact CD2-CB 4.38Å; F45-F89 AromaticContact CD2-CD2 3.75Å; F45-F89 HydrophobicContact CD2-CD2 3.75Å; F45-F89 HydrophobicContact CD2-CE2 4.26Å; F45-F89 HydrophobicContact CD2-CG 4.2Å; F45-F89 HydrophobicContact CE1-CB 3.47Å; F45-F89 VanDerWaalsContact CE1-CB 3.47Å; F45-F89 AromaticContact CE1-CD1 3.86Å; F45-F89 HydrophobicContact CE1-CD1 3.86Å; F45-F89 HydrophobicContact CE1-CD2 4.09Å; F45-F89 AromaticContact CE1-CG 3.56Å; F45-F89 HydrophobicContact CE1-CG 3.56Å; F45-F89 HydrophobicContact CE2-CB 4.24Å; F45-F89 HydrophobicContact CE2-CD1 4.18Å; F45-F89 AromaticContact CE2-CD2 3.29Å; F45-F89 HydrophobicContact CE2-CD2 3.29Å; F45-F89 HydrophobicContact CE2-CE1 4.33Å; F45-F89 AromaticContact CE2-CE2 3.49Å; F45-F89 HydrophobicContact CE2-CE2 3.49Å; F45-F89 VanDerWaalsContact CE2-CE2 3.49Å; F45-F89 AromaticContact CE2-CG 3.67Å; F45-F89 HydrophobicContact CE2-CG 3.67Å; F45-F89 HydrophobicContact CE2-CZ 4.02Å; F45-F89 HydrophobicContact CG-CB 4.1Å; F45-F89 HydrophobicContact CG-CD2 4.31Å; F45-F89 HydrophobicContact CG-CG 4.41Å; F45-F89 HydrophobicContact CZ-CB 3.81Å; F45-F89 AromaticContact CZ-CD1 3.5Å; F45-F89 HydrophobicContact CZ-CD1 3.5Å; F45-F89 AromaticContact CZ-CD2 3.5Å; F45-F89 HydrophobicContact CZ-CD2 3.5Å; F45-F89 AromaticContact CZ-CE1 3.82Å; F45-F89 HydrophobicContact CZ-CE1 3.82Å; F45-F89 AromaticContact CZ-CE2 3.83Å; F45-F89 HydrophobicContact CZ-CE2 3.83Å; F45-F89 AromaticContact CZ-CG 3.33Å; F45-F89 HydrophobicContact CZ-CG 3.33Å; F45-F89 AromaticContact CZ-CZ 3.97Å; F45-F89 HydrophobicContact CZ-CZ 3.97Å; F45-F89 PolarHBondContact N-O 3.43Å; F45-F89 VanDerWaalsContact N-O 3.09Å; F45-F89 WeakPolarHBondContact O-CA 3.12Å; F45-F89 WeakPolarHBondContact O-CB 3.36Å; F45-F89 PolarHBondContact O-N 3Å; F45-T94 HydrophobicContact CD1-CG2 3.75Å; F45-T94 HydrophobicContact CE1-CG2 4.16Å; F45-Y100 HydrophobicContact CE1-CE1 4.12Å; F45-Y100 AromaticContact CZ-CD1 3.97Å; F45-Y100 HydrophobicContact CZ-CD1 3.97Å; F45-Y100 AromaticContact CZ-CE1 3.9Å; F45-Y100 HydrophobicContact CZ-CE1 3.9Å; F45-Y100 HydrophobicContact CZ-CG 4.36Å; F45-I102 HydrophobicContact CE2-CD1 4.27Å; F45-I120 HydrophobicContact CD2-CD1 4Å; F45-I120 HydrophobicContact CE2-CD1 3.6Å; F45-I120 HydrophobicContact CZ-CD1 4.28Å; F45-V122 HydrophobicContact CD1-CG2 3.83Å; F45-V122 HydrophobicContact CE1-CG2 3.92Å; F45-I125 HydrophobicContact CB-CD1 4Å; F45-I125 HydrophobicContact CD2-CD1 4.07Å; F45-I125 HydrophobicContact CG-CD1 4.23Å
46T98.3Very high95Very high15 Ų1539 Ų399%0.09223%0.225CC..EExtended strand (participates in β ladder)trans-130.3139.3178.5-55.60000109C37 R38 W48 A82 C87C37-T46 CarbonylContact C-O 3.56Å; C37-T46 WeakPolarHBondContact CA-O 3.22Å; R38-T46 PolarHBondContact N-O 2.92Å; R38-T46 PolarHBondContact O-N 2.93Å; T46-W48 HydrophobicContact CG2-CD2 3.88Å; T46-W48 VanDerWaalsContact CG2-CE2 3.45Å; T46-W48 HydrophobicContact CG2-CE3 4.09Å; T46-W48 HydrophobicContact CG2-CH2 3.58Å; T46-W48 HydrophobicContact CG2-CZ2 3.32Å; T46-W48 HydrophobicContact CG2-CZ3 3.94Å; T46-A82 HydrophobicContact CG2-CB 3.27Å; T46-C87 WeakPolarHBondContact CA-O 3.47Å; T46-C87 WeakPolarHBondContact CG2-O 3.45Å
47C98.1Very high94.7Very high0 Ų037 Ų370%021%0.209CC..EExtended strand (participates in β ladder)trans-115.3139.5168.8-65.20000110.4S36 C37 L63 S86 C87 I102S36-C47 CarbonylContact O-C 3.59Å; S36-C47 WeakPolarHBondContact O-CA 3.38Å; C37-C47 HydrophobicContact CB-CB 4.12Å; C37-C47 WeakPolarHBondContact CB-SG 3.11Å; C37-C47 WeakPolarHBondContact SG-CB 3.39Å; C37-C47 CovalentContact SG-SG 2.04Å; C37-C47 PolarHBondContact SG-SG 3.29Å; C47-L63 HydrophobicContact CB-CD1 4.27Å; C47-S86 CarbonylContact O-C 3.55Å; C47-S86 VanDerWaalsContact O-CA 3.24Å; C47-S86 WeakPolarHBondContact O-CA 3.48Å; C47-C87 PolarHBondContact N-O 3.46Å; C47-C87 PolarHBondContact O-N 3.27Å; C47-I102 VanDerWaalsContact SG-CD1 3.56Å
48W98.3Very high94.5Very high97 Ų9741.9 Ų41.937%0.36724%0.24SC..EExtended strand (participates in β ladder)trans-121.9155.5172.1-58.7-95.1000110I35 S36 R38 T46 A82 N85I35-W48 WeakPolarHBondContact CA-O 3.35Å; S36-W48 PolarHBondContact N-O 2.9Å; S36-W48 PolarHBondContact O-N 3.47Å; R38-W48 HydrophobicContact CB-CH2 4.35Å; R38-W48 HydrophobicContact CB-CZ3 3.88Å; T46-W48 HydrophobicContact CG2-CD2 3.88Å; T46-W48 VanDerWaalsContact CG2-CE2 3.45Å; T46-W48 HydrophobicContact CG2-CE3 4.09Å; T46-W48 HydrophobicContact CG2-CH2 3.58Å; T46-W48 HydrophobicContact CG2-CZ2 3.32Å; T46-W48 HydrophobicContact CG2-CZ3 3.94Å; W48-A82 PolarHBondContact NE1-O 2.9Å; W48-N85 WeakPolarHBondContact CA-O 3.33Å
49W97.6Very high94.3Very high15 Ų1539.5 Ų39.56%0.05723%0.234CC..EExtended strand (participates in β ladder)trans-135.8150.7175.758.790.1000112.2I35 Y61 L63 Y79 N85 S86 C87 V104I35-W49 HydrophobicContact CG1-CB 4.08Å; W49-Y61 AromaticContact CD1-CD1 3.93Å; W49-Y61 AromaticContact NE1-CD1 3.37Å; W49-Y61 AromaticContact NE1-CG 3.63Å; W49-L63 HydrophobicContact CE3-CD1 4Å; W49-L63 HydrophobicContact CH2-CB 4.28Å; W49-L63 HydrophobicContact CZ3-CB 4.08Å; W49-L63 HydrophobicContact CZ3-CD1 3.68Å; W49-Y79 HydrophobicContact CH2-CD1 4.14Å; W49-Y79 HydrophobicContact CH2-CE1 4.2Å; W49-N85 HydrophobicContact CD2-CB 4.34Å; W49-N85 HydrophobicContact CG-CB 4.43Å; W49-N85 HydrophobicContact CZ2-CB 4.39Å; W49-N85 PolarHBondContact N-O 2.84Å; W49-N85 VanDerWaalsContact N-O 3.08Å; W49-S86 VanDerWaalsContact CH2-O 3.28Å; W49-S86 WeakPolarHBondContact CH2-O 3.5Å; W49-C87 HydrophobicContact CZ3-CB 4.15Å; W49-V104 HydrophobicContact CB-CG2 4.23Å; W49-V104 HydrophobicContact CD2-CG1 3.91Å; W49-V104 HydrophobicContact CD2-CG2 3.83Å; W49-V104 HydrophobicContact CE3-CG2 3.77Å; W49-V104 HydrophobicContact CG-CB 4.49Å; W49-V104 HydrophobicContact CG-CG1 3.95Å; W49-V104 HydrophobicContact CG-CG2 4.05Å; W49-V104 HydrophobicContact CZ2-CG1 4.45Å; W49-V104 HydrophobicContact CZ3-CG2 4.39Å
50K97Very high94.2Very high135 Ų13544.1 Ų44.159%0.58726%0.262SS*.EExtended strand (participates in β ladder)trans-83126167.9-167.1179.1178.7-178.90109.1P32 T33 N34P32-K50 WeakPolarHBondContact CA-O 3.35Å; T33-K50 PolarHBondContact N-O 2.85Å; T33-K50 WeakPolarHBondContact O-CA 3.45Å; T33-K50 WeakPolarHBondContact O-CB 3.48Å; T33-K50 PolarHBondContact O-N 3.25Å; N34-K50 HydrophobicContact CB-CB 4.33Å
51P95.3Very high94.3Very high46 Ų4644.6 Ų44.630%0.29926%0.261SS..  trans-64.9158.7174.428.9-34.5000111.1Y61P51-Y61 HydrophobicContact CB-CE1 4.02Å; P51-Y61 HydrophobicContact CB-CE2 4.24Å; P51-Y61 VanDerWaalsContact CB-OH 3.22Å; P51-Y61 WeakPolarHBondContact CB-OH 3.43Å
52G92.3Very high94.4Very high22 Ų2245 Ų4523%0.22727%0.266CS..  trans-79.9-165.2169.900000111.6Y61G52-Y61 PolarHBondContact N-OH 3.4Å
53S92Very high94.6Very high87 Ų8744.5 Ų44.561%0.60826%0.264SS*.  trans-70.8124.6157.61760000108.4G30 G55G30-S53 PolarHBondContact N-O 3.46Å; S53-G55 PolarHBondContact O-N 3.13Å; S53-G55 PolarHBondContact OG-N 3.22Å
54D89.1Confident94.7Very high66 Ų6646.4 Ų46.435%0.35327%0.27SS..  trans-71.73.1179.5-61.4-49.9000113.2G56 L57 T59 Y61 N108D54-G56 VanDerWaalsContact C-N 3.28Å; D54-G56 PolarHBondContact O-N 3.42Å; D54-L57 PolarHBondContact O-N 2.92Å; D54-L57 VanDerWaalsContact O-N 3.12Å; D54-L57 VanDerWaalsContact O-O 3.1Å; D54-T59 WeakPolarHBondContact CB-OG1 3.49Å; D54-T59 PolarHBondContact O-OG1 3.49Å; D54-T59 VanDerWaalsContact O-OG1 3.11Å; D54-T59 WeakPolarHBondContact OD1-CB 3.36Å; D54-Y61 PolarHBondContact OD1-OH 2.92Å; D54-N108 PolarHBondContact O-ND2 3.37Å; D54-N108 VanDerWaalsContact O-ND2 3.17Å
55G86.6Confident94.7Very high4 Ų445.9 Ų45.94%0.04127%0.265CS..THydrogen-bonded Turntrans69.721.9174.200000114.1Y26 S27 S53 L57Y26-G55 WeakPolarHBondContact CA-O 3.32Å; S27-G55 PolarHBondContact N-O 3.39Å; S27-G55 WeakPolarHBondContact OG-CA 3.47Å; S27-G55 PolarHBondContact OG-O 2.89Å; S53-G55 PolarHBondContact O-N 3.13Å; S53-G55 PolarHBondContact OG-N 3.22Å; G55-L57 PolarHBondContact O-N 3.12Å
56G87.3Confident94.7Very high59 Ų5950.2 Ų50.261%0.60828%0.281SS*.THydrogen-bonded Turntrans75.46.6-172.100000114.3Y26 D54Y26-G56 VanDerWaalsContact CE1-O 3.28Å; Y26-G56 WeakPolarHBondContact CE1-O 3.4Å; D54-G56 VanDerWaalsContact C-N 3.28Å; D54-G56 PolarHBondContact O-N 3.42Å
57L90.3Very high94.5Very high25 Ų2551.8 Ų51.813%0.13129%0.287CS..SBendtrans-122.8150.7-174.3-71171.6000112.6Y26 D54 G55 T59 N108 S109 R110Y26-L57 HydrophobicContact CD1-CD1 4.46Å; Y26-L57 HydrophobicContact CD1-CD2 3.48Å; Y26-L57 VanDerWaalsContact CD1-CD2 3.48Å; Y26-L57 HydrophobicContact CD1-CG 3.63Å; Y26-L57 HydrophobicContact CE1-CD2 3.84Å; Y26-L57 HydrophobicContact CE1-CG 4.37Å; Y26-L57 HydrophobicContact CG-CD1 4.49Å; Y26-L57 HydrophobicContact CG-CD2 3.9Å; Y26-L57 HydrophobicContact CG-CG 4.11Å; D54-L57 PolarHBondContact O-N 2.92Å; D54-L57 VanDerWaalsContact O-N 3.12Å; D54-L57 VanDerWaalsContact O-O 3.1Å; G55-L57 PolarHBondContact O-N 3.12Å; L57-T59 PolarHBondContact O-N 3.29Å; L57-T59 PolarHBondContact O-OG1 3.41Å; L57-T59 VanDerWaalsContact O-OG1 3.04Å; L57-N108 HydrophobicContact CB-CB 4.11Å; L57-S109 WeakPolarHBondContact CD1-OG 3.45Å; L57-R110 HydrophobicContact CD1-CB 4.22Å; L57-R110 HydrophobicContact CD1-CG 3.39Å
58P93Very high94.3Very high121 Ų12158.2 Ų58.279%0.78632%0.317SS*.  trans-53.9113.1167.2-24.734.8000110.8
59T94.4Very high93.9Very high24 Ų2457.7 Ų57.715%0.14734%0.342CS..  trans-112.9127.3-175.8-63.60000109.5P29 D54 L57 Y61 A106 T107 N108P29-T59 HydrophobicContact CB-CG2 3.74Å; D54-T59 WeakPolarHBondContact CB-OG1 3.49Å; D54-T59 PolarHBondContact O-OG1 3.49Å; D54-T59 VanDerWaalsContact O-OG1 3.11Å; D54-T59 WeakPolarHBondContact OD1-CB 3.36Å; L57-T59 PolarHBondContact O-N 3.29Å; L57-T59 PolarHBondContact O-OG1 3.41Å; L57-T59 VanDerWaalsContact O-OG1 3.04Å; T59-Y61 HydrophobicContact CG2-CD2 4.33Å; T59-Y61 HydrophobicContact CG2-CE2 3.65Å; T59-A106 HydrophobicContact CG2-CB 3.9Å; T59-T107 CarbonylContact C-O 3.57Å; T59-T107 WeakPolarHBondContact CA-O 3.5Å; T59-N108 WeakPolarHBondContact OG1-CB 3.36Å
60T95.6Very high93.6Very high96 Ų9658.4 Ų58.459%0.58935%0.349SS*.EExtended strand (participates in β ladder)trans-97.8149.6173.958.50000110.4A106 T107T60-A106 CarbonylContact O-C 3.54Å; T60-A106 WeakPolarHBondContact O-CA 3.46Å; T60-T107 PolarHBondContact N-O 3.49Å; T60-T107 PolarHBondContact O-N 3.44Å; T60-T107 PolarHBondContact OG1-O 3.2Å
61Y96.4Very high93.3Very high35 Ų3559.8 Ų59.814%0.13736%0.357CS..EExtended strand (participates in β ladder)trans-122.8127.4-178.4-68.6-97.9000109P32 W49 P51 G52 D54 T59 V104 V105 A106P32-Y61 HydrophobicContact CB-CE1 4.46Å; P32-Y61 HydrophobicContact CG-CD1 4.34Å; P32-Y61 HydrophobicContact CG-CE1 4.12Å; W49-Y61 AromaticContact CD1-CD1 3.93Å; W49-Y61 AromaticContact NE1-CD1 3.37Å; W49-Y61 AromaticContact NE1-CG 3.63Å; P51-Y61 HydrophobicContact CB-CE1 4.02Å; P51-Y61 HydrophobicContact CB-CE2 4.24Å; P51-Y61 VanDerWaalsContact CB-OH 3.22Å; P51-Y61 WeakPolarHBondContact CB-OH 3.43Å; G52-Y61 PolarHBondContact N-OH 3.4Å; D54-Y61 PolarHBondContact OD1-OH 2.92Å; T59-Y61 HydrophobicContact CG2-CD2 4.33Å; T59-Y61 HydrophobicContact CG2-CE2 3.65Å; Y61-V104 HydrophobicContact CD1-CG1 4.14Å; Y61-V105 WeakPolarHBondContact CA-O 3.47Å; Y61-A106 HydrophobicContact CD1-CB 3.99Å; Y61-A106 HydrophobicContact CE1-CB 3.63Å
62A97.3Very high93.3Very high17 Ų1766 Ų6614%0.1438%0.375CS..EExtended strand (participates in β ladder)trans-121.2137173.200000109.9Y64 Y79 V104 V105A62-Y64 HydrophobicContact CB-CE2 3.81Å; A62-Y79 VanDerWaalsContact CA-OH 3.23Å; A62-Y79 WeakPolarHBondContact CA-OH 3.14Å; A62-V104 WeakPolarHBondContact O-CA 3.49Å; A62-V105 PolarHBondContact N-O 3.35Å; A62-V105 PolarHBondContact O-N 3.14Å
63L98.2Very high93.4Very high0 Ų068.5 Ų68.50%039%0.386CS..EExtended strand (participates in β ladder)trans-106.8122.5175.8-178.9155.1000108.7C47 W49 Y65 C76 Y79 C87 F89 I102 V104C47-L63 HydrophobicContact CB-CD1 4.27Å; W49-L63 HydrophobicContact CE3-CD1 4Å; W49-L63 HydrophobicContact CH2-CB 4.28Å; W49-L63 HydrophobicContact CZ3-CB 4.08Å; W49-L63 HydrophobicContact CZ3-CD1 3.68Å; L63-Y65 HydrophobicContact CD2-CD1 4.39Å; L63-C76 HydrophobicContact CB-CB 4.2Å; L63-C76 HydrophobicContact CD2-CB 4.31Å; L63-C76 PolarHBondContact O-N 3.38Å; L63-Y79 HydrophobicContact CB-CE1 4.25Å; L63-Y79 PolarHBondContact N-OH 3.05Å; L63-C87 HydrophobicContact CB-CB 4.44Å; L63-C87 HydrophobicContact CD1-CB 3.79Å; L63-C87 HydrophobicContact CD2-CB 4.31Å; L63-C87 HydrophobicContact CG-CB 4.42Å; L63-F89 HydrophobicContact CD2-CZ 4Å; L63-I102 HydrophobicContact CD1-CG2 3.74Å; L63-I102 HydrophobicContact CD2-CG2 3.98Å; L63-I102 HydrophobicContact CG-CG2 3.85Å; L63-V104 HydrophobicContact CB-CG2 4.15Å; L63-V104 HydrophobicContact CD1-CG2 3.86Å; L63-V104 HydrophobicContact CG-CG2 4.05Å
64Y97.8Very high93.6Very high84 Ų8467 Ų6733%0.32937%0.368SS..EExtended strand (participates in β ladder)trans-108.2148.6173-62.6-73.3000110A62 V73 F74 E75 T103 V105A62-Y64 HydrophobicContact CB-CE2 3.81Å; Y64-V73 HydrophobicContact CD1-CG1 4.29Å; Y64-V73 HydrophobicContact CG-CG1 4.43Å; Y64-F74 CarbonylContact C-O 3.57Å; Y64-F74 VanDerWaalsContact CA-O 3.29Å; Y64-F74 WeakPolarHBondContact CA-O 3.36Å; Y64-E75 HydrophobicContact CD1-CB 3.95Å; Y64-E75 HydrophobicContact CD1-CG 4.13Å; Y64-E75 HydrophobicContact CE1-CB 3.78Å; Y64-E75 HydrophobicContact CE1-CG 3.75Å; Y64-E75 WeakPolarHBondContact CE1-OE2 3.44Å; Y64-E75 PolarHBondContact OH-OE2 3.31Å; Y64-T103 PolarHBondContact N-O 3.28Å; Y64-T103 PolarHBondContact O-N 3.47Å; Y64-V105 HydrophobicContact CD2-CG2 3.83Å; Y64-V105 HydrophobicContact CE2-CB 4.43Å; Y64-V105 HydrophobicContact CE2-CG2 4.04Å
65Y96.9Very high94Very high15 Ų1568.2 Ų68.26%0.05937%0.372CS..EExtended strand (participates in β ladder)trans-140.2152.9174.669.1-83.9000112.3L63 K67 F74 E75 F89 Y100 N101L63-Y65 HydrophobicContact CD2-CD1 4.39Å; Y65-K67 HydrophobicContact CD2-CG 4.21Å; Y65-K67 HydrophobicContact CE2-CG 4.17Å; Y65-F74 HydrophobicContact CD1-CB 3.99Å; Y65-F74 HydrophobicContact CD2-CB 4.2Å; Y65-F74 HydrophobicContact CD2-CD2 4.43Å; Y65-F74 HydrophobicContact CE1-CB 3.51Å; Y65-F74 HydrophobicContact CE2-CB 3.74Å; Y65-F74 HydrophobicContact CE2-CD2 4.02Å; Y65-F74 HydrophobicContact CE2-CG 4.04Å; Y65-F74 HydrophobicContact CG-CB 4.32Å; Y65-F74 AromaticContact CZ-CG 3.98Å; Y65-F74 PolarHBondContact N-O 2.9Å; Y65-F74 PolarHBondContact O-N 3.34Å; Y65-E75 WeakPolarHBondContact CE1-O 3.49Å; Y65-F89 AromaticContact CD1-CE1 3.67Å; Y65-F89 HydrophobicContact CD1-CE1 3.67Å; Y65-F89 AromaticContact CD1-CZ 3.97Å; Y65-F89 HydrophobicContact CD1-CZ 3.97Å; Y65-F89 HydrophobicContact CD2-CE1 4.3Å; Y65-F89 HydrophobicContact CE1-CD1 4.5Å; Y65-F89 AromaticContact CE1-CE1 3.56Å; Y65-F89 HydrophobicContact CE1-CE1 3.56Å; Y65-F89 HydrophobicContact CE1-CZ 4.25Å; Y65-F89 HydrophobicContact CE2-CE1 4.21Å; Y65-F89 HydrophobicContact CG-CE1 4.04Å; Y65-F89 HydrophobicContact CG-CZ 4.36Å; Y65-F89 AromaticContact CZ-CE1 3.85Å; Y65-Y100 AromaticContact CD2-CD1 3.67Å; Y65-Y100 HydrophobicContact CD2-CD1 3.67Å; Y65-Y100 HydrophobicContact CD2-CE1 4.03Å; Y65-Y100 HydrophobicContact CE2-CD1 4.12Å; Y65-Y100 AromaticContact CE2-CE1 3.99Å; Y65-Y100 HydrophobicContact CE2-CE1 3.99Å; Y65-Y100 HydrophobicContact CG-CD1 4.43Å; Y65-N101 CarbonylContact C-O 3.57Å; Y65-N101 VanDerWaalsContact CA-O 3.25Å; Y65-N101 WeakPolarHBondContact CA-O 3.34Å
66R96.3Very high94.5Very high92 Ų9268.6 Ų68.635%0.34737%0.374SS..EExtended strand (participates in β ladder)trans-125.3129.3171.3178.1-170.7-70.3-114.72.2107.9S70 Y100 N101R66-S70 VanDerWaalsContact CG-O 3.3Å; R66-S70 WeakPolarHBondContact CG-O 3.45Å; R66-S70 PolarHBondContact NH1-O 3.49Å; R66-Y100 WeakPolarHBondContact O-CA 3.46Å; R66-N101 HydrophobicContact CB-CB 4.48Å; R66-N101 PolarHBondContact N-O 3.35Å; R66-N101 PolarHBondContact O-N 2.92Å
67K95.4Very high95Very high48 Ų4868.9 Ų68.921%0.20937%0.365CS..EExtended strand (participates in β ladder)trans-84.5148.6170.7-62.2-166.8-63.41790110.2Y65 S70 F95 V98 N99 Y100Y65-K67 HydrophobicContact CD2-CG 4.21Å; Y65-K67 HydrophobicContact CE2-CG 4.17Å; K67-S70 VanDerWaalsContact O-CB 3.23Å; K67-S70 WeakPolarHBondContact O-CB 3.25Å; K67-S70 PolarHBondContact O-N 2.9Å; K67-F95 HydrophobicContact CD-CD2 4.28Å; K67-F95 VanDerWaalsContact NZ-CD2 3.31Å; K67-V98 HydrophobicContact CB-CG1 4.02Å; K67-V98 HydrophobicContact CD-CG1 4.43Å; K67-V98 HydrophobicContact CG-CG1 4.48Å; K67-N99 CarbonylContact C-O 3.57Å; K67-N99 WeakPolarHBondContact CA-O 3.41Å; K67-Y100 HydrophobicContact CD-CD1 4.44Å; K67-Y100 HydrophobicContact CD-CE1 3.81Å; K67-Y100 HydrophobicContact CD-CE2 4.44Å; K67-Y100 HydrophobicContact CG-CD1 3.98Å; K67-Y100 HydrophobicContact CG-CE1 3.85Å; K67-Y100 HydrophobicContact CG-CG 4.43Å
68E93.8Very high95.3Very high134 Ų13469.6 Ų69.663%0.62637%0.369SS*.THydrogen-bonded Turntrans-51.2144.4169.9-170.9163.9-154.800111.8S70 V98 N99E68-S70 PolarHBondContact O-N 2.96Å; E68-V98 HydrophobicContact CB-CG1 4.29Å; E68-N99 HydrophobicContact CB-CB 4.25Å; E68-N99 PolarHBondContact N-O 2.81Å; E68-N99 PolarHBondContact OE2-N 3.39Å
69G88.8Confident95.5Very high87 Ų8766.8 Ų66.890%0.89734%0.343SS*.THydrogen-bonded Turntrans69-15.4-171.100000115.8
70S91.9Very high95.5Very high30 Ų3073.8 Ų73.821%0.2137%0.372CS..  trans-91.3126.4179.9-178.60000112.7R66 K67 E68 R72R66-S70 VanDerWaalsContact CG-O 3.3Å; R66-S70 WeakPolarHBondContact CG-O 3.45Å; R66-S70 PolarHBondContact NH1-O 3.49Å; K67-S70 VanDerWaalsContact O-CB 3.23Å; K67-S70 WeakPolarHBondContact O-CB 3.25Å; K67-S70 PolarHBondContact O-N 2.9Å; E68-S70 PolarHBondContact O-N 2.96Å; S70-R72 PolarHBondContact OG-N 3.23Å; S70-R72 PolarHBondContact OG-O 2.99Å
71Q90.1Very high95.5Very high163 Ų16373.9 Ų73.976%0.76237%0.372SS*.  trans-81.2-17.3164.1-66.3-61.6-16.200113.1
72R95Very high95.3Very high177 Ų17773.5 Ų73.567%0.66838%0.376SS*.  trans-76.1128.1175.6-178.5170.9-179.6173.61.4110.2S70 F74S70-R72 PolarHBondContact OG-N 3.23Å; S70-R72 PolarHBondContact OG-O 2.99Å; R72-F74 HydrophobicContact CB-CE2 4.09Å; R72-F74 HydrophobicContact CB-CZ 4.1Å; R72-F74 HydrophobicContact CG-CD1 4.48Å; R72-F74 HydrophobicContact CG-CD2 4.44Å; R72-F74 HydrophobicContact CG-CE1 4.07Å; R72-F74 HydrophobicContact CG-CE2 4.02Å; R72-F74 HydrophobicContact CG-CZ 3.82Å; R72-F74 WeakPolarHBondContact O-CD2 3.5Å; R72-F74 WeakPolarHBondContact O-CE2 3.36Å
73V95.9Very high95.1Very high75 Ų7574.4 Ų74.446%0.45539%0.387SS..EExtended strand (participates in β ladder)trans-85.1142164.2-179.60000108.5Y64Y64-V73 HydrophobicContact CD1-CG1 4.29Å; Y64-V73 HydrophobicContact CG-CG1 4.43Å
74F96.3Very high95Very high54 Ų5483.7 Ų83.724%0.23743%0.427CS..EExtended strand (participates in β ladder)trans-119.1151.8177.6-59.9-92.6000109.3Y64 Y65 R72Y64-F74 CarbonylContact C-O 3.57Å; Y64-F74 VanDerWaalsContact CA-O 3.29Å; Y64-F74 WeakPolarHBondContact CA-O 3.36Å; Y65-F74 HydrophobicContact CD1-CB 3.99Å; Y65-F74 HydrophobicContact CD2-CB 4.2Å; Y65-F74 HydrophobicContact CD2-CD2 4.43Å; Y65-F74 HydrophobicContact CE1-CB 3.51Å; Y65-F74 HydrophobicContact CE2-CB 3.74Å; Y65-F74 HydrophobicContact CE2-CD2 4.02Å; Y65-F74 HydrophobicContact CE2-CG 4.04Å; Y65-F74 HydrophobicContact CG-CB 4.32Å; Y65-F74 AromaticContact CZ-CG 3.98Å; Y65-F74 PolarHBondContact N-O 2.9Å; Y65-F74 PolarHBondContact O-N 3.34Å; R72-F74 HydrophobicContact CB-CE2 4.09Å; R72-F74 HydrophobicContact CB-CZ 4.1Å; R72-F74 HydrophobicContact CG-CD1 4.48Å; R72-F74 HydrophobicContact CG-CD2 4.44Å; R72-F74 HydrophobicContact CG-CE1 4.07Å; R72-F74 HydrophobicContact CG-CE2 4.02Å; R72-F74 HydrophobicContact CG-CZ 3.82Å; R72-F74 WeakPolarHBondContact O-CD2 3.5Å; R72-F74 WeakPolarHBondContact O-CE2 3.36Å
75E97.2Very high94.9Very high93 Ų9382.6 Ų82.644%0.43543%0.427SS..EExtended strand (participates in β ladder)trans-93.8154.7167.2-169.4165.6162.800109.8Y64 Y65 Y79Y64-E75 HydrophobicContact CD1-CB 3.95Å; Y64-E75 HydrophobicContact CD1-CG 4.13Å; Y64-E75 HydrophobicContact CE1-CB 3.78Å; Y64-E75 HydrophobicContact CE1-CG 3.75Å; Y64-E75 WeakPolarHBondContact CE1-OE2 3.44Å; Y64-E75 PolarHBondContact OH-OE2 3.31Å; Y65-E75 WeakPolarHBondContact CE1-O 3.49Å; E75-Y79 HydrophobicContact CG-CE2 4.39Å; E75-Y79 VanDerWaalsContact CG-OH 3.26Å; E75-Y79 WeakPolarHBondContact CG-OH 3.19Å; E75-Y79 WeakPolarHBondContact OE1-CE2 3.27Å; E75-Y79 PolarHBondContact OE1-OH 3.29Å
76C97.7Very high94.9Very high12 Ų1282 Ų828%0.08143%0.425CS..  trans-43.6130.1171.4-179.20000112.5L63 D78 Y79 C87L63-C76 HydrophobicContact CB-CB 4.2Å; L63-C76 HydrophobicContact CD2-CB 4.31Å; L63-C76 PolarHBondContact O-N 3.38Å; C76-D78 VanDerWaalsContact SG-C 3.55Å; C76-D78 PolarHBondContact SG-O 3.22Å; C76-D78 VanDerWaalsContact SG-O 3.34Å; C76-Y79 HydrophobicContact CB-CD1 4.03Å; C76-Y79 HydrophobicContact CB-CD2 4.38Å; C76-Y79 HydrophobicContact CB-CE1 3.49Å; C76-Y79 VanDerWaalsContact CB-CE1 3.49Å; C76-Y79 HydrophobicContact CB-CE2 3.9Å; C76-Y79 HydrophobicContact CB-CG 4.46Å; C76-Y79 VanDerWaalsContact CB-CZ 3.44Å; C76-C87 VanDerWaalsContact CA-SG 3.53Å; C76-C87 HydrophobicContact CB-CB 4.03Å; C76-C87 WeakPolarHBondContact CB-SG 3.26Å; C76-C87 WeakPolarHBondContact SG-CA 3.39Å; C76-C87 WeakPolarHBondContact SG-CB 3.38Å; C76-C87 CovalentContact SG-SG 2.02Å; C76-C87 PolarHBondContact SG-SG 3.27Å
77P96.8Very high95Very high65 Ų6577.6 Ų77.642%0.42241%0.408SS..SBendtrans-78.8-23.8-179.928.8-29.6000113.3F88 F89 V93P77-F88 WeakPolarHBondContact CG-O 3.36Å; P77-F89 HydrophobicContact CG-CD1 4.31Å; P77-V93 HydrophobicContact CG-CG2 4.06Å
78D97.4Very high95.1Very high39 Ų3977.1 Ų77.121%0.20941%0.406CS..  trans-151.8111.7-178-175.9-7.7000112.8C76 K80 T81 C87 F88C76-D78 VanDerWaalsContact SG-C 3.55Å; C76-D78 PolarHBondContact SG-O 3.22Å; C76-D78 VanDerWaalsContact SG-O 3.34Å; D78-K80 WeakPolarHBondContact OD1-CA 3.4Å; D78-K80 WeakPolarHBondContact OD1-CB 3.16Å; D78-K80 PolarHBondContact OD1-N 3.08Å; D78-T81 PolarHBondContact OD1-N 3.24Å; D78-T81 WeakPolarHBondContact OD2-CB 3.45Å; D78-T81 PolarHBondContact OD2-OG1 2.88Å; D78-C87 WeakPolarHBondContact O-CA 3.22Å; D78-F88 HydrophobicContact CB-CB 4.22Å; D78-F88 HydrophobicContact CB-CD1 4.38Å; D78-F88 PolarHBondContact O-N 3.19Å
79Y96.8Very high95.3Very high62 Ų6270.8 Ų70.824%0.24338%0.377CS..SBendtrans-96.114.3175.3-63-76.6000113.9W49 A62 L63 E75 C76W49-Y79 HydrophobicContact CH2-CD1 4.14Å; W49-Y79 HydrophobicContact CH2-CE1 4.2Å; A62-Y79 VanDerWaalsContact CA-OH 3.23Å; A62-Y79 WeakPolarHBondContact CA-OH 3.14Å; L63-Y79 HydrophobicContact CB-CE1 4.25Å; L63-Y79 PolarHBondContact N-OH 3.05Å; E75-Y79 HydrophobicContact CG-CE2 4.39Å; E75-Y79 VanDerWaalsContact CG-OH 3.26Å; E75-Y79 WeakPolarHBondContact CG-OH 3.19Å; E75-Y79 WeakPolarHBondContact OE1-CE2 3.27Å; E75-Y79 PolarHBondContact OE1-OH 3.29Å; C76-Y79 HydrophobicContact CB-CD1 4.03Å; C76-Y79 HydrophobicContact CB-CD2 4.38Å; C76-Y79 HydrophobicContact CB-CE1 3.49Å; C76-Y79 VanDerWaalsContact CB-CE1 3.49Å; C76-Y79 HydrophobicContact CB-CE2 3.9Å; C76-Y79 HydrophobicContact CB-CG 4.46Å; C76-Y79 VanDerWaalsContact CB-CZ 3.44Å
80K94.6Very high95.7Very high172 Ų17268.4 Ų68.475%0.74835%0.347SS*.SBendtrans-120.1-50.7-170.2-57.3-59.1178.6-168.30113D78 A82 G83D78-K80 WeakPolarHBondContact OD1-CA 3.4Å; D78-K80 WeakPolarHBondContact OD1-CB 3.16Å; D78-K80 PolarHBondContact OD1-N 3.08Å; K80-A82 PolarHBondContact O-N 3.08Å; K80-A82 VanDerWaalsContact O-N 3.14Å; K80-G83 PolarHBondContact O-N 3.37Å
81T94.2Very high95.8Very high98 Ų9873 Ų7360%0.60136%0.363SS*.THydrogen-bonded Turntrans-57.9-33.4-170.6-67.30000113.5D78 F88D78-T81 PolarHBondContact OD1-N 3.24Å; D78-T81 WeakPolarHBondContact OD2-CB 3.45Å; D78-T81 PolarHBondContact OD2-OG1 2.88Å; T81-F88 HydrophobicContact CG2-CD1 3.76Å; T81-F88 HydrophobicContact CG2-CE1 4.02Å; T81-F88 HydrophobicContact CG2-CG 4.05Å
82A92.6Very high96Very high26 Ų2671.3 Ų71.322%0.21536%0.359CS..THydrogen-bonded Turntrans-97.48.3-179.900000115.2T46 W48 K80 S86 F88T46-A82 HydrophobicContact CG2-CB 3.27Å; W48-A82 PolarHBondContact NE1-O 2.9Å; K80-A82 PolarHBondContact O-N 3.08Å; K80-A82 VanDerWaalsContact O-N 3.14Å; A82-S86 WeakPolarHBondContact CB-OG 3.41Å; A82-S86 PolarHBondContact O-OG 2.86Å; A82-F88 HydrophobicContact CB-CB 4.19Å
83G94.6Very high95.9Very high36 Ų3664.4 Ų64.437%0.37134%0.336SS..  trans85.9-163.7177.600000115K80 S86K80-G83 PolarHBondContact O-N 3.37Å; G83-S86 PolarHBondContact N-OG 3.1Å; G83-S86 PolarHBondContact O-OG 2.96Å
84K94.3Very high95.9Very high196 Ų19661.6 Ų61.685%0.85232%0.319SS*.THydrogen-bonded Turntrans-67.1146.4-177.3-66-176-179.8-179.50111.6S86K84-S86 PolarHBondContact O-N 3.36Å
85N95.6Very high95.8Very high60 Ų6063.5 Ų63.532%0.32133%0.328SS..THydrogen-bonded Turntrans51.443.7177.3-57.9-12.7000112.9W48 W49W48-N85 WeakPolarHBondContact CA-O 3.33Å; W49-N85 HydrophobicContact CD2-CB 4.34Å; W49-N85 HydrophobicContact CG-CB 4.43Å; W49-N85 HydrophobicContact CZ2-CB 4.39Å; W49-N85 PolarHBondContact N-O 2.84Å; W49-N85 VanDerWaalsContact N-O 3.08Å
86S97.6Very high95.7Very high2 Ų260.1 Ų60.11%0.01431%0.313CS..EExtended strand (participates in β ladder)trans-135159.9-177.379.90000111.7C47 W49 A82 G83 K84C47-S86 CarbonylContact O-C 3.55Å; C47-S86 VanDerWaalsContact O-CA 3.24Å; C47-S86 WeakPolarHBondContact O-CA 3.48Å; W49-S86 VanDerWaalsContact CH2-O 3.28Å; W49-S86 WeakPolarHBondContact CH2-O 3.5Å; A82-S86 WeakPolarHBondContact CB-OG 3.41Å; A82-S86 PolarHBondContact O-OG 2.86Å; G83-S86 PolarHBondContact N-OG 3.1Å; G83-S86 PolarHBondContact O-OG 2.96Å; K84-S86 PolarHBondContact O-N 3.36Å
87C98Very high95.5Very high0 Ų068.5 Ų68.50%034%0.343CS..EExtended strand (participates in β ladder)trans-134.8125.4166.3-177.50000109.2T46 C47 W49 L63 C76 D78 F89T46-C87 WeakPolarHBondContact CA-O 3.47Å; T46-C87 WeakPolarHBondContact CG2-O 3.45Å; C47-C87 PolarHBondContact N-O 3.46Å; C47-C87 PolarHBondContact O-N 3.27Å; W49-C87 HydrophobicContact CZ3-CB 4.15Å; L63-C87 HydrophobicContact CB-CB 4.44Å; L63-C87 HydrophobicContact CD1-CB 3.79Å; L63-C87 HydrophobicContact CD2-CB 4.31Å; L63-C87 HydrophobicContact CG-CB 4.42Å; C76-C87 VanDerWaalsContact CA-SG 3.53Å; C76-C87 HydrophobicContact CB-CB 4.03Å; C76-C87 WeakPolarHBondContact CB-SG 3.26Å; C76-C87 WeakPolarHBondContact SG-CA 3.39Å; C76-C87 WeakPolarHBondContact SG-CB 3.38Å; C76-C87 CovalentContact SG-SG 2.02Å; C76-C87 PolarHBondContact SG-SG 3.27Å; D78-C87 WeakPolarHBondContact O-CA 3.22Å; C87-F89 HydrophobicContact CB-CE2 4.06Å; C87-F89 WeakPolarHBondContact SG-CE2 3.49Å
88F98.1Very high95.4Very high39 Ų3967.1 Ų67.117%0.17133%0.334CS..EExtended strand (participates in β ladder)trans-99.2132.7175.6175.5-118000110.6T44 P77 D78 T81 A82T44-F88 HydrophobicContact CG2-CE2 4.25Å; T44-F88 HydrophobicContact CG2-CZ 4.07Å; P77-F88 WeakPolarHBondContact CG-O 3.36Å; D78-F88 HydrophobicContact CB-CB 4.22Å; D78-F88 HydrophobicContact CB-CD1 4.38Å; D78-F88 PolarHBondContact O-N 3.19Å; T81-F88 HydrophobicContact CG2-CD1 3.76Å; T81-F88 HydrophobicContact CG2-CE1 4.02Å; T81-F88 HydrophobicContact CG2-CG 4.05Å; A82-F88 HydrophobicContact CB-CB 4.19Å
89F97.9Very high95.4Very high0 Ų067.5 Ų67.50%034%0.336CS..EExtended strand (participates in β ladder)trans-113.5109.3176-64.9-103.9000108.6T44 F45 L63 Y65 P77 C87 V93 T94 Y100 I102T44-F89 WeakPolarHBondContact CA-O 3.34Å; T44-F89 WeakPolarHBondContact CB-O 3.28Å; F45-F89 HydrophobicContact CD1-CB 3.62Å; F45-F89 HydrophobicContact CD1-CD2 4.45Å; F45-F89 HydrophobicContact CD1-CG 4.1Å; F45-F89 HydrophobicContact CD2-CB 4.38Å; F45-F89 AromaticContact CD2-CD2 3.75Å; F45-F89 HydrophobicContact CD2-CD2 3.75Å; F45-F89 HydrophobicContact CD2-CE2 4.26Å; F45-F89 HydrophobicContact CD2-CG 4.2Å; F45-F89 HydrophobicContact CE1-CB 3.47Å; F45-F89 VanDerWaalsContact CE1-CB 3.47Å; F45-F89 AromaticContact CE1-CD1 3.86Å; F45-F89 HydrophobicContact CE1-CD1 3.86Å; F45-F89 HydrophobicContact CE1-CD2 4.09Å; F45-F89 AromaticContact CE1-CG 3.56Å; F45-F89 HydrophobicContact CE1-CG 3.56Å; F45-F89 HydrophobicContact CE2-CB 4.24Å; F45-F89 HydrophobicContact CE2-CD1 4.18Å; F45-F89 AromaticContact CE2-CD2 3.29Å; F45-F89 HydrophobicContact CE2-CD2 3.29Å; F45-F89 HydrophobicContact CE2-CE1 4.33Å; F45-F89 AromaticContact CE2-CE2 3.49Å; F45-F89 HydrophobicContact CE2-CE2 3.49Å; F45-F89 VanDerWaalsContact CE2-CE2 3.49Å; F45-F89 AromaticContact CE2-CG 3.67Å; F45-F89 HydrophobicContact CE2-CG 3.67Å; F45-F89 HydrophobicContact CE2-CZ 4.02Å; F45-F89 HydrophobicContact CG-CB 4.1Å; F45-F89 HydrophobicContact CG-CD2 4.31Å; F45-F89 HydrophobicContact CG-CG 4.41Å; F45-F89 HydrophobicContact CZ-CB 3.81Å; F45-F89 AromaticContact CZ-CD1 3.5Å; F45-F89 HydrophobicContact CZ-CD1 3.5Å; F45-F89 AromaticContact CZ-CD2 3.5Å; F45-F89 HydrophobicContact CZ-CD2 3.5Å; F45-F89 AromaticContact CZ-CE1 3.82Å; F45-F89 HydrophobicContact CZ-CE1 3.82Å; F45-F89 AromaticContact CZ-CE2 3.83Å; F45-F89 HydrophobicContact CZ-CE2 3.83Å; F45-F89 AromaticContact CZ-CG 3.33Å; F45-F89 HydrophobicContact CZ-CG 3.33Å; F45-F89 AromaticContact CZ-CZ 3.97Å; F45-F89 HydrophobicContact CZ-CZ 3.97Å; F45-F89 PolarHBondContact N-O 3.43Å; F45-F89 VanDerWaalsContact N-O 3.09Å; F45-F89 WeakPolarHBondContact O-CA 3.12Å; F45-F89 WeakPolarHBondContact O-CB 3.36Å; F45-F89 PolarHBondContact O-N 3Å; L63-F89 HydrophobicContact CD2-CZ 4Å; Y65-F89 AromaticContact CD1-CE1 3.67Å; Y65-F89 HydrophobicContact CD1-CE1 3.67Å; Y65-F89 AromaticContact CD1-CZ 3.97Å; Y65-F89 HydrophobicContact CD1-CZ 3.97Å; Y65-F89 HydrophobicContact CD2-CE1 4.3Å; Y65-F89 HydrophobicContact CE1-CD1 4.5Å; Y65-F89 AromaticContact CE1-CE1 3.56Å; Y65-F89 HydrophobicContact CE1-CE1 3.56Å; Y65-F89 HydrophobicContact CE1-CZ 4.25Å; Y65-F89 HydrophobicContact CE2-CE1 4.21Å; Y65-F89 HydrophobicContact CG-CE1 4.04Å; Y65-F89 HydrophobicContact CG-CZ 4.36Å; Y65-F89 AromaticContact CZ-CE1 3.85Å; P77-F89 HydrophobicContact CG-CD1 4.31Å; C87-F89 HydrophobicContact CB-CE2 4.06Å; C87-F89 WeakPolarHBondContact SG-CE2 3.49Å; F89-V93 HydrophobicContact CB-CG2 4.25Å; F89-V93 HydrophobicContact CD1-CG2 4.5Å; F89-T94 PolarHBondContact O-OG1 2.82Å; F89-Y100 HydrophobicContact CE1-CE1 4.47Å; F89-I102 HydrophobicContact CZ-CD1 4.48Å
90S96.4Very high95.4Very high38 Ų3864.6 Ų64.627%0.26632%0.324SS..  trans-79.6172.1-18052.50000112.6N92 V93 T94S90-N92 PolarHBondContact O-N 3.4Å; S90-N92 VanDerWaalsContact O-N 3.1Å; S90-N92 PolarHBondContact OG-OD1 3.35Å; S90-V93 WeakPolarHBondContact O-CG2 3.27Å; S90-V93 PolarHBondContact O-N 2.89Å; S90-V93 VanDerWaalsContact O-N 3.13Å; S90-T94 WeakPolarHBondContact O-CB 3.24Å; S90-T94 PolarHBondContact O-N 3.31Å; S90-T94 VanDerWaalsContact O-N 3.15Å; S90-T94 PolarHBondContact O-OG1 2.88Å
91K95.1Very high95.5Very high127 Ų12758.7 Ų58.755%0.55230%0.301SS*.THydrogen-bonded Turntrans-60-21.6-172.7-172.3171.4-173.7163.10115.3E43E43-K91 HydrophobicContact CB-CD 4.37Å; E43-K91 HydrophobicContact CB-CG 4.36Å; E43-K91 VanDerWaalsContact CD-CE 3.41Å; E43-K91 WeakPolarHBondContact O-CA 3.39Å; E43-K91 VanDerWaalsContact OE1-CE 3.28Å; E43-K91 WeakPolarHBondContact OE1-CE 3.44Å; E43-K91 IonicContact OE1-NZ 2.66Å; E43-K91 PolarHBondContact OE1-NZ 3.07Å; E43-K91 WeakPolarHBondContact OE2-CD 3.45Å; E43-K91 VanDerWaalsContact OE2-CE 3.24Å; E43-K91 WeakPolarHBondContact OE2-CE 3.39Å; E43-K91 IonicContact OE2-NZ 2.85Å; E43-K91 PolarHBondContact OE2-NZ 2.86Å
92N93.7Very high95.7Very high126 Ų12654 Ų5467%0.67427%0.273SS*.THydrogen-bonded Turntrans-87.3-10179.966.7-12.1000114.4S90S90-N92 PolarHBondContact O-N 3.4Å; S90-N92 VanDerWaalsContact O-N 3.1Å; S90-N92 PolarHBondContact OG-OD1 3.35Å
93V93.2Very high95.9Very high33 Ų3354.2 Ų54.220%0.227%0.271CS..THydrogen-bonded Turntrans-120.7-9-179.9-70.10000113.3P77 F89 S90 F95 Y100P77-V93 HydrophobicContact CG-CG2 4.06Å; F89-V93 HydrophobicContact CB-CG2 4.25Å; F89-V93 HydrophobicContact CD1-CG2 4.5Å; S90-V93 WeakPolarHBondContact O-CG2 3.27Å; S90-V93 PolarHBondContact O-N 2.89Å; S90-V93 VanDerWaalsContact O-N 3.13Å; V93-F95 VanDerWaalsContact O-CD2 3.31Å; V93-F95 WeakPolarHBondContact O-CD2 3.34Å; V93-F95 WeakPolarHBondContact O-CE2 3.45Å; V93-Y100 PolarHBondContact O-OH 2.94Å
94T96.1Very high96.1Very high15 Ų1552.5 Ų52.59%0.09225%0.253CS..  trans-88.3129.7178-61.10000110.6E43 F45 F89 S90 Y100 V122E43-T94 WeakPolarHBondContact O-CB 3.48Å; E43-T94 VanDerWaalsContact O-CG2 3.29Å; E43-T94 WeakPolarHBondContact O-CG2 3.47Å; F45-T94 HydrophobicContact CD1-CG2 3.75Å; F45-T94 HydrophobicContact CE1-CG2 4.16Å; F89-T94 PolarHBondContact O-OG1 2.82Å; S90-T94 WeakPolarHBondContact O-CB 3.24Å; S90-T94 PolarHBondContact O-N 3.31Å; S90-T94 VanDerWaalsContact O-N 3.15Å; S90-T94 PolarHBondContact O-OG1 2.88Å; T94-Y100 WeakPolarHBondContact CA-OH 3.37Å; T94-V122 HydrophobicContact CG2-CG1 3.98Å; T94-V122 HydrophobicContact CG2-CG2 4Å
95F94.4Very high96.2Very high94 Ų9443.6 Ų43.641%0.41222%0.215SC..  trans-133.4129.4178.1-63.1-89.7000108.7K67 V93 V98 Y100 V122K67-F95 HydrophobicContact CD-CD2 4.28Å; K67-F95 VanDerWaalsContact NZ-CD2 3.31Å; V93-F95 VanDerWaalsContact O-CD2 3.31Å; V93-F95 WeakPolarHBondContact O-CD2 3.34Å; V93-F95 WeakPolarHBondContact O-CE2 3.45Å; F95-V98 HydrophobicContact CB-CB 4.27Å; F95-V98 HydrophobicContact CB-CG2 4Å; F95-Y100 PolarHBondContact N-OH 2.82Å; F95-V122 WeakPolarHBondContact O-CG2 3.27Å
96V93.9Very high96.3Very high23 Ų2340.7 Ų40.714%0.13920%0.2CC..THydrogen-bonded Turntrans-81.6154.6172.3-69.90000110.6K42 V98 V122 V123 W163K42-V96 HydrophobicContact CG-CG1 3.97Å; V96-V98 PolarHBondContact O-N 3.26Å; V96-V122 HydrophobicContact CG1-CB 4.3Å; V96-V122 HydrophobicContact CG1-CG1 4.27Å; V96-V123 HydrophobicContact CB-CG2 3.69Å; V96-V123 HydrophobicContact CG1-CG2 3.94Å; V96-W163 HydrophobicContact CG1-CZ2 4.19Å; V96-W163 HydrophobicContact CG2-CH2 3.88Å; V96-W163 HydrophobicContact CG2-CZ2 4.18Å
97W93.8Very high96.3Very high187 Ų18742.5 Ų42.571%0.70821%0.211SC*.THydrogen-bonded Turntrans6031.3-178.7-48.1-57000113.7D121 V123W97-D121 WeakPolarHBondContact CA-OD2 3.47Å; W97-D121 PolarHBondContact N-OD1 2.64Å; W97-D121 VanDerWaalsContact N-OD1 3.09Å; W97-V123 HydrophobicContact CG-CG2 4.39Å
98V95.3Very high96.1Very high37 Ų3743.2 Ų43.222%0.22422%0.215CC..  trans-134.1122.5175.7175.50000107.2K67 E68 F95 V96 Y100K67-V98 HydrophobicContact CB-CG1 4.02Å; K67-V98 HydrophobicContact CD-CG1 4.43Å; K67-V98 HydrophobicContact CG-CG1 4.48Å; E68-V98 HydrophobicContact CB-CG1 4.29Å; F95-V98 HydrophobicContact CB-CB 4.27Å; F95-V98 HydrophobicContact CB-CG2 4Å; V96-V98 PolarHBondContact O-N 3.26Å; V98-Y100 HydrophobicContact CB-CE2 4.44Å; V98-Y100 HydrophobicContact CG1-CE2 4.41Å; V98-Y100 VanDerWaalsContact O-CD2 3.3Å; V98-Y100 WeakPolarHBondContact O-CD2 3.25Å
99N96.3Very high96Very high47 Ų4746.3 Ų46.325%0.25124%0.241SC..  trans-71.8134.9174.2178.737.5000111.4K67 E68 D119 I120K67-N99 CarbonylContact C-O 3.57Å; K67-N99 WeakPolarHBondContact CA-O 3.41Å; E68-N99 HydrophobicContact CB-CB 4.25Å; E68-N99 PolarHBondContact N-O 2.81Å; E68-N99 PolarHBondContact OE2-N 3.39Å; N99-D119 PolarHBondContact ND2-OD1 2.91Å; N99-D119 WeakPolarHBondContact OD1-CB 3.36Å; N99-I120 CarbonylContact C-O 3.53Å; N99-I120 WeakPolarHBondContact CA-O 2.97Å; N99-I120 PolarHBondContact OD1-N 2.9Å; N99-I120 PolarHBondContact OD1-O 2.92Å; N99-I120 VanDerWaalsContact OD1-O 3.12Å
100Y97.3Very high95.7Very high0 Ų053.8 Ų53.80%027%0.27CS..EExtended strand (participates in β ladder)trans-109.9111.6171.5-70.8-116.5000109F45 Y65 R66 K67 F89 V93 T94 F95 V98 I102 D119 I120 V122F45-Y100 HydrophobicContact CE1-CE1 4.12Å; F45-Y100 AromaticContact CZ-CD1 3.97Å; F45-Y100 HydrophobicContact CZ-CD1 3.97Å; F45-Y100 AromaticContact CZ-CE1 3.9Å; F45-Y100 HydrophobicContact CZ-CE1 3.9Å; F45-Y100 HydrophobicContact CZ-CG 4.36Å; Y65-Y100 AromaticContact CD2-CD1 3.67Å; Y65-Y100 HydrophobicContact CD2-CD1 3.67Å; Y65-Y100 HydrophobicContact CD2-CE1 4.03Å; Y65-Y100 HydrophobicContact CE2-CD1 4.12Å; Y65-Y100 AromaticContact CE2-CE1 3.99Å; Y65-Y100 HydrophobicContact CE2-CE1 3.99Å; Y65-Y100 HydrophobicContact CG-CD1 4.43Å; R66-Y100 WeakPolarHBondContact O-CA 3.46Å; K67-Y100 HydrophobicContact CD-CD1 4.44Å; K67-Y100 HydrophobicContact CD-CE1 3.81Å; K67-Y100 HydrophobicContact CD-CE2 4.44Å; K67-Y100 HydrophobicContact CG-CD1 3.98Å; K67-Y100 HydrophobicContact CG-CE1 3.85Å; K67-Y100 HydrophobicContact CG-CG 4.43Å; F89-Y100 HydrophobicContact CE1-CE1 4.47Å; V93-Y100 PolarHBondContact O-OH 2.94Å; T94-Y100 WeakPolarHBondContact CA-OH 3.37Å; F95-Y100 PolarHBondContact N-OH 2.82Å; V98-Y100 HydrophobicContact CB-CE2 4.44Å; V98-Y100 HydrophobicContact CG1-CE2 4.41Å; V98-Y100 VanDerWaalsContact O-CD2 3.3Å; V98-Y100 WeakPolarHBondContact O-CD2 3.25Å; Y100-I102 PolarHBondContact O-N 2.82Å; Y100-D119 WeakPolarHBondContact O-CA 3.36Å; Y100-I120 PolarHBondContact N-O 3.29Å; Y100-I120 PolarHBondContact O-N 2.96Å; Y100-V122 HydrophobicContact CE2-CG2 4.16Å
101N97.2Very high95.6Very high49 Ų4953.2 Ų53.226%0.26227%0.27SS..EExtended strand (participates in β ladder)trans-83.3112.2168.5-170.7-96.3000108.8Y65 R66 D119Y65-N101 CarbonylContact C-O 3.57Å; Y65-N101 VanDerWaalsContact CA-O 3.25Å; Y65-N101 WeakPolarHBondContact CA-O 3.34Å; R66-N101 HydrophobicContact CB-CB 4.48Å; R66-N101 PolarHBondContact N-O 3.35Å; R66-N101 PolarHBondContact O-N 2.92Å; N101-D119 VanDerWaalsContact CB-OD1 3.3Å; N101-D119 WeakPolarHBondContact CB-OD1 3.29Å; N101-D119 PolarHBondContact ND2-OD1 2.96Å; N101-D119 PolarHBondContact ND2-OD2 3.41Å
102I97.6Very high95.6Very high0 Ų055.4 Ų55.40%027%0.274CS..EExtended strand (participates in β ladder)trans-110.2137-172.3-65.5-177.8000110.5I35 F45 C47 L63 F89 Y100 P117 V118 I120I35-I102 HydrophobicContact CG2-CG2 4.38Å; F45-I102 HydrophobicContact CE2-CD1 4.27Å; C47-I102 VanDerWaalsContact SG-CD1 3.56Å; L63-I102 HydrophobicContact CD1-CG2 3.74Å; L63-I102 HydrophobicContact CD2-CG2 3.98Å; L63-I102 HydrophobicContact CG-CG2 3.85Å; F89-I102 HydrophobicContact CZ-CD1 4.48Å; Y100-I102 PolarHBondContact O-N 2.82Å; I102-P117 CarbonylContact O-C 3.59Å; I102-P117 VanDerWaalsContact O-CA 3.28Å; I102-P117 WeakPolarHBondContact O-CA 3.38Å; I102-V118 PolarHBondContact N-O 3.45Å; I102-V118 PolarHBondContact O-N 2.85Å; I102-I120 HydrophobicContact CD1-CD1 3.61Å; I102-I120 HydrophobicContact CD1-CG1 4.04Å
103T97.8Very high95.8Very high30 Ų3050.2 Ų50.218%0.18425%0.249CC..EExtended strand (participates in β ladder)trans-140.3131.9175.3-58.90000110.8Y64 F114Y64-T103 PolarHBondContact N-O 3.28Å; Y64-T103 PolarHBondContact O-N 3.47Å; T103-F114 HydrophobicContact CG2-CD1 4.46Å
104V98.1Very high96Very high0 Ų054.1 Ų54.10%026%0.263CS..EExtended strand (participates in β ladder)trans-101135.7175178.80000110P32 I35 W49 Y61 A62 L63 S115P32-V104 HydrophobicContact CB-CB 4.21Å; P32-V104 HydrophobicContact CB-CG1 3.95Å; P32-V104 HydrophobicContact CG-CB 4.44Å; P32-V104 HydrophobicContact CG-CG1 4.02Å; I35-V104 HydrophobicContact CD1-CB 4.19Å; I35-V104 HydrophobicContact CD1-CG2 3.71Å; I35-V104 HydrophobicContact CG1-CG2 4.11Å; W49-V104 HydrophobicContact CB-CG2 4.23Å; W49-V104 HydrophobicContact CD2-CG1 3.91Å; W49-V104 HydrophobicContact CD2-CG2 3.83Å; W49-V104 HydrophobicContact CE3-CG2 3.77Å; W49-V104 HydrophobicContact CG-CB 4.49Å; W49-V104 HydrophobicContact CG-CG1 3.95Å; W49-V104 HydrophobicContact CG-CG2 4.05Å; W49-V104 HydrophobicContact CZ2-CG1 4.45Å; W49-V104 HydrophobicContact CZ3-CG2 4.39Å; Y61-V104 HydrophobicContact CD1-CG1 4.14Å; A62-V104 WeakPolarHBondContact O-CA 3.49Å; L63-V104 HydrophobicContact CB-CG2 4.15Å; L63-V104 HydrophobicContact CD1-CG2 3.86Å; L63-V104 HydrophobicContact CG-CG2 4.05Å; V104-S115 PolarHBondContact N-OG 2.78Å; V104-S115 PolarHBondContact O-N 3.29Å; V104-S115 PolarHBondContact O-OG 3.45Å
105V97.4Very high96Very high8 Ų853.9 Ų53.95%0.04826%0.262CS..EExtended strand (participates in β ladder)trans-118.9115.9-179.7-171.70000109.4Y61 A62 Y64 R112 A113 F114Y61-V105 WeakPolarHBondContact CA-O 3.47Å; A62-V105 PolarHBondContact N-O 3.35Å; A62-V105 PolarHBondContact O-N 3.14Å; Y64-V105 HydrophobicContact CD2-CG2 3.83Å; Y64-V105 HydrophobicContact CE2-CB 4.43Å; Y64-V105 HydrophobicContact CE2-CG2 4.04Å; V105-R112 HydrophobicContact CG1-CB 4.3Å; V105-A113 CarbonylContact C-O 3.56Å; V105-A113 WeakPolarHBondContact CA-O 3.25Å; V105-F114 HydrophobicContact CB-CD1 4.43Å; V105-F114 HydrophobicContact CB-CE1 4.47Å; V105-F114 HydrophobicContact CG1-CD1 4.17Å; V105-F114 HydrophobicContact CG1-CE1 3.94Å; V105-F114 HydrophobicContact CG1-CZ 4.17Å; V105-F114 HydrophobicContact CG2-CD1 3.52Å; V105-F114 HydrophobicContact CG2-CE1 3.64Å; V105-F114 HydrophobicContact CG2-CG 4.43Å
106A97.3Very high96.2Very high0 Ų054 Ų540%027%0.267CS..EExtended strand (participates in β ladder)trans-83138.116600000109.7P29 P32 T59 T60 Y61 R112 A113P29-A106 HydrophobicContact CB-CB 3.81Å; P29-A106 HydrophobicContact CG-CB 3.93Å; P32-A106 HydrophobicContact CG-CB 3.96Å; T59-A106 HydrophobicContact CG2-CB 3.9Å; T60-A106 CarbonylContact O-C 3.54Å; T60-A106 WeakPolarHBondContact O-CA 3.46Å; Y61-A106 HydrophobicContact CD1-CB 3.99Å; Y61-A106 HydrophobicContact CE1-CB 3.63Å; A106-R112 CarbonylContact O-C 3.54Å; A106-R112 WeakPolarHBondContact O-CA 3.43Å; A106-A113 PolarHBondContact N-O 2.85Å; A106-A113 PolarHBondContact O-N 2.79Å
107T96.6Very high96.3Very high40 Ų4056.3 Ų56.325%0.24528%0.283CS..EExtended strand (participates in β ladder)trans-135.5129.2177.9-61.30000110.3T59 T60 R112T59-T107 CarbonylContact C-O 3.57Å; T59-T107 WeakPolarHBondContact CA-O 3.5Å; T60-T107 PolarHBondContact N-O 3.49Å; T60-T107 PolarHBondContact O-N 3.44Å; T60-T107 PolarHBondContact OG1-O 3.2Å; T107-R112 HydrophobicContact CG2-CG 4Å; T107-R112 WeakPolarHBondContact OG1-CG 3.28Å
108N95.3Very high96.4Very high14 Ų1449.7 Ų49.78%0.07526%0.263CS..EExtended strand (participates in β ladder)trans-133.8-177.9166.778.914000109.9S27 P29 D54 L57 T59 R110 G111S27-N108 PolarHBondContact O-ND2 3.44Å; P29-N108 WeakPolarHBondContact CD-OD1 3.43Å; D54-N108 PolarHBondContact O-ND2 3.37Å; D54-N108 VanDerWaalsContact O-ND2 3.17Å; L57-N108 HydrophobicContact CB-CB 4.11Å; T59-N108 WeakPolarHBondContact OG1-CB 3.36Å; N108-R110 PolarHBondContact O-N 3.12Å; N108-R110 VanDerWaalsContact O-N 3.14Å; N108-R110 WeakPolarHBondContact OD1-CA 3.32Å; N108-R110 WeakPolarHBondContact OD1-CB 3.39Å; N108-R110 PolarHBondContact OD1-N 2.95Å; N108-G111 PolarHBondContact N-O 2.95Å; N108-G111 PolarHBondContact O-N 2.89Å; N108-G111 VanDerWaalsContact O-O 3.12Å; N108-G111 PolarHBondContact OD1-N 2.78Å
109S94.4Very high96.5Very high105 Ų10552.2 Ų52.273%0.73428%0.275SS*.THydrogen-bonded Turntrans-69.5-6.5-177.359.70000115.1L57L57-S109 WeakPolarHBondContact CD1-OG 3.45Å
110R92.9Very high96.5Very high157 Ų15750.7 Ų50.759%0.59227%0.267SS*.THydrogen-bonded Turntrans-104-16.2177.4-63.6-73.7-178.7155.93.7113.6L57 N108L57-R110 HydrophobicContact CD1-CB 4.22Å; L57-R110 HydrophobicContact CD1-CG 3.39Å; N108-R110 PolarHBondContact O-N 3.12Å; N108-R110 VanDerWaalsContact O-N 3.14Å; N108-R110 WeakPolarHBondContact OD1-CA 3.32Å; N108-R110 WeakPolarHBondContact OD1-CB 3.39Å; N108-R110 PolarHBondContact OD1-N 2.95Å
111G93.6Very high96.4Very high26 Ų2652 Ų5227%0.26827%0.273SS..EExtended strand (participates in β ladder)trans165.7-164.6177.600000115P29 N108P29-G111 WeakPolarHBondContact CD-O 3.46Å; N108-G111 PolarHBondContact N-O 2.95Å; N108-G111 PolarHBondContact O-N 2.89Å; N108-G111 VanDerWaalsContact O-O 3.12Å; N108-G111 PolarHBondContact OD1-N 2.78Å
112R96.1Very high96.4Very high173 Ų17349.6 Ų49.665%0.65326%0.261SS*.EExtended strand (participates in β ladder)trans-131148.4175.5-59.6-171.2-179.8159.71.5110.8V105 A106 T107 F114V105-R112 HydrophobicContact CG1-CB 4.3Å; A106-R112 CarbonylContact O-C 3.54Å; A106-R112 WeakPolarHBondContact O-CA 3.43Å; T107-R112 HydrophobicContact CG2-CG 4Å; T107-R112 WeakPolarHBondContact OG1-CG 3.28Å; R112-F114 HydrophobicContact CB-CE2 4.22Å
113A96.8Very high96.3Very high16 Ų1649.7 Ų49.713%0.13226%0.261CS..EExtended strand (participates in β ladder)trans-131.4139.2170.600000110.5P29 V105 A106P29-A113 HydrophobicContact CG-CB 4.23Å; P29-A113 WeakPolarHBondContact O-CB 3.38Å; V105-A113 CarbonylContact C-O 3.56Å; V105-A113 WeakPolarHBondContact CA-O 3.25Å; A106-A113 PolarHBondContact N-O 2.85Å; A106-A113 PolarHBondContact O-N 2.79Å
114F97Very high96.2Very high116 Ų11654.8 Ų54.851%0.50928%0.278SS..EExtended strand (participates in β ladder)trans-109.1134.2-175.7-61.9-101.7000108.8K31 T103 V105 R112K31-F114 VanDerWaalsContact CE-O 3.26Å; K31-F114 WeakPolarHBondContact CE-O 3.47Å; K31-F114 WeakPolarHBondContact CG-O 3.46Å; T103-F114 HydrophobicContact CG2-CD1 4.46Å; V105-F114 HydrophobicContact CB-CD1 4.43Å; V105-F114 HydrophobicContact CB-CE1 4.47Å; V105-F114 HydrophobicContact CG1-CD1 4.17Å; V105-F114 HydrophobicContact CG1-CE1 3.94Å; V105-F114 HydrophobicContact CG1-CZ 4.17Å; V105-F114 HydrophobicContact CG2-CD1 3.52Å; V105-F114 HydrophobicContact CG2-CE1 3.64Å; V105-F114 HydrophobicContact CG2-CG 4.43Å; R112-F114 HydrophobicContact CB-CE2 4.22Å
115S97.8Very high96.2Very high9 Ų955.9 Ų55.96%0.06328%0.284CS..PPolyproline II helixtrans-61168166.971.40000110.7P32 I35 V104P32-S115 WeakPolarHBondContact O-CA 3.43Å; P32-S115 WeakPolarHBondContact O-CB 3.22Å; I35-S115 VanDerWaalsContact CD1-OG 3.26Å; I35-S115 WeakPolarHBondContact CD1-OG 3.24Å; V104-S115 PolarHBondContact N-OG 2.78Å; V104-S115 PolarHBondContact O-N 3.29Å; V104-S115 PolarHBondContact O-OG 3.45Å
116D96.9Very high96.2Very high96 Ų9655.5 Ų55.551%0.51328%0.281SS..PPolyproline II helixtrans-64.4146.7156.7-60.6-59.8000109.1K31K31-D116 WeakPolarHBondContact CE-OD2 3.28Å; K31-D116 IonicContact NZ-OD1 2.65Å; K31-D116 PolarHBondContact NZ-OD1 2.83Å; K31-D116 IonicContact NZ-OD2 2.68Å; K31-D116 PolarHBondContact NZ-OD2 2.83Å
117P95.9Very high96.2Very high73 Ų7358.4 Ų58.447%0.47429%0.294SS..PPolyproline II helixtrans-69.6143.1171.930-34000110I102I102-P117 CarbonylContact O-C 3.59Å; I102-P117 VanDerWaalsContact O-CA 3.28Å; I102-P117 WeakPolarHBondContact O-CA 3.38Å
118V96.9Very high96.3Very high47 Ų4756.6 Ų56.629%0.28528%0.283SS..EExtended strand (participates in β ladder)trans-124.2122.5175.4-178.90000109.1I35 I102 I120I35-V118 HydrophobicContact CB-CG2 4.03Å; I35-V118 HydrophobicContact CD1-CG2 4.36Å; I35-V118 HydrophobicContact CG2-CG2 4.46Å; I102-V118 PolarHBondContact N-O 3.45Å; I102-V118 PolarHBondContact O-N 2.85Å; V118-I120 HydrophobicContact CG1-CG2 4.11Å
119D96.7Very high96.3Very high90 Ų9058.6 Ų58.648%0.48129%0.294SS..EExtended strand (participates in β ladder)trans-89.5129.9174.6-71.2-72.6000110.4N99 Y100 N101N99-D119 PolarHBondContact ND2-OD1 2.91Å; N99-D119 WeakPolarHBondContact OD1-CB 3.36Å; Y100-D119 WeakPolarHBondContact O-CA 3.36Å; N101-D119 VanDerWaalsContact CB-OD1 3.3Å; N101-D119 WeakPolarHBondContact CB-OD1 3.29Å; N101-D119 PolarHBondContact ND2-OD1 2.96Å; N101-D119 PolarHBondContact ND2-OD2 3.41Å
120I96.6Very high96.5Very high15 Ų1555.4 Ų55.48%0.07727%0.27CS..EExtended strand (participates in β ladder)trans-136.5142.8176.663.5169.4000111.8C37 F45 N99 Y100 I102 V118 I125C37-I120 HydrophobicContact CB-CD1 3.92Å; F45-I120 HydrophobicContact CD2-CD1 4Å; F45-I120 HydrophobicContact CE2-CD1 3.6Å; F45-I120 HydrophobicContact CZ-CD1 4.28Å; N99-I120 CarbonylContact C-O 3.53Å; N99-I120 WeakPolarHBondContact CA-O 2.97Å; N99-I120 PolarHBondContact OD1-N 2.9Å; N99-I120 PolarHBondContact OD1-O 2.92Å; N99-I120 VanDerWaalsContact OD1-O 3.12Å; Y100-I120 PolarHBondContact N-O 3.29Å; Y100-I120 PolarHBondContact O-N 2.96Å; I102-I120 HydrophobicContact CD1-CD1 3.61Å; I102-I120 HydrophobicContact CD1-CG1 4.04Å; V118-I120 HydrophobicContact CG1-CG2 4.11Å; I120-I125 HydrophobicContact CB-CG2 4.32Å; I120-I125 HydrophobicContact CD1-CD1 3.86Å; I120-I125 HydrophobicContact CG2-CG2 4.22Å
121D96.3Very high96.7Very high27 Ų2748.1 Ų48.114%0.14424%0.243CC..  trans-106.4133.2153.9178.3-6.1000107.7W97 V123 Y124 I125W97-D121 WeakPolarHBondContact CA-OD2 3.47Å; W97-D121 PolarHBondContact N-OD1 2.64Å; W97-D121 VanDerWaalsContact N-OD1 3.09Å; D121-V123 PolarHBondContact O-N 3.24Å; D121-V123 VanDerWaalsContact O-N 3.1Å; D121-V123 WeakPolarHBondContact OD1-CG2 3.45Å; D121-V123 PolarHBondContact OD1-N 2.98Å; D121-Y124 HydrophobicContact CB-CD2 3.99Å; D121-Y124 HydrophobicContact CB-CE2 4.42Å; D121-Y124 PolarHBondContact O-N 2.57Å; D121-I125 PolarHBondContact O-N 3.34Å
122V96.7Very high96.8Very high0 Ų050.3 Ų50.30%025%0.247CC..THydrogen-bonded Turntrans-49.3-35176.8-175.90000111.4F45 T94 F95 V96 Y100 Y124 I125 V126F45-V122 HydrophobicContact CD1-CG2 3.83Å; F45-V122 HydrophobicContact CE1-CG2 3.92Å; T94-V122 HydrophobicContact CG2-CG1 3.98Å; T94-V122 HydrophobicContact CG2-CG2 4Å; F95-V122 WeakPolarHBondContact O-CG2 3.27Å; V96-V122 HydrophobicContact CG1-CB 4.3Å; V96-V122 HydrophobicContact CG1-CG1 4.27Å; Y100-V122 HydrophobicContact CE2-CG2 4.16Å; V122-Y124 VanDerWaalsContact C-N 3.32Å; V122-Y124 PolarHBondContact O-N 3.46Å; V122-I125 WeakPolarHBondContact O-CG1 3.39Å; V122-I125 PolarHBondContact O-N 3.38Å; V122-V126 VanDerWaalsContact O-CG2 3.27Å; V122-V126 WeakPolarHBondContact O-CG2 3.3Å
123V95.6Very high96.8Very high1 Ų147.8 Ų47.81%0.00624%0.242CC..THydrogen-bonded Turntrans-63.2-31.8-179.4176.80000113.4V96 W97 D121 H212V96-V123 HydrophobicContact CB-CG2 3.69Å; V96-V123 HydrophobicContact CG1-CG2 3.94Å; W97-V123 HydrophobicContact CG-CG2 4.39Å; D121-V123 PolarHBondContact O-N 3.24Å; D121-V123 VanDerWaalsContact O-N 3.1Å; D121-V123 WeakPolarHBondContact OD1-CG2 3.45Å; D121-V123 PolarHBondContact OD1-N 2.98Å; V123-H212 HydrophobicContact CG1-CB 3.89Å; V123-H212 CarbonylContact O-C 3.49Å
124Y96.1Very high96.7Very high137 Ų13748.4 Ų48.454%0.53724%0.244SC..THydrogen-bonded Turntrans-96.3-13.4-178-59.8-60.1000113.7D121 V122 H212 F214D121-Y124 HydrophobicContact CB-CD2 3.99Å; D121-Y124 HydrophobicContact CB-CE2 4.42Å; D121-Y124 PolarHBondContact O-N 2.57Å; V122-Y124 VanDerWaalsContact C-N 3.32Å; V122-Y124 PolarHBondContact O-N 3.46Å; Y124-H212 HydrophobicContact CD1-CB 3.98Å; Y124-H212 HydrophobicContact CE1-CB 4.07Å; Y124-F214 WeakPolarHBondContact O-CE2 2.97Å
125I97.3Very high96.7Very high23 Ų2346 Ų4612%0.11824%0.239CC..SBendtrans-96.413.6175.863.9157.5000113.8C37 S39 F45 I120 D121 V122 K127C37-I125 HydrophobicContact CB-CD1 3.71Å; S39-I125 PolarHBondContact N-O 2.85Å; F45-I125 HydrophobicContact CB-CD1 4Å; F45-I125 HydrophobicContact CD2-CD1 4.07Å; F45-I125 HydrophobicContact CG-CD1 4.23Å; I120-I125 HydrophobicContact CB-CG2 4.32Å; I120-I125 HydrophobicContact CD1-CD1 3.86Å; I120-I125 HydrophobicContact CG2-CG2 4.22Å; D121-I125 PolarHBondContact O-N 3.34Å; V122-I125 WeakPolarHBondContact O-CG1 3.39Å; V122-I125 PolarHBondContact O-N 3.38Å; I125-K127 PolarHBondContact O-N 2.82Å
126V97.6Very high96.6Very high0 Ų046.4 Ų46.40%024%0.241CC..BIsolated β-bridgetrans-70.3118.9177.4-173.50000110.1S39 K42 V122 P128 I164 P210 G213 F214S39-V126 CarbonylContact O-C 3.58Å; S39-V126 WeakPolarHBondContact O-CA 3.27Å; K42-V126 HydrophobicContact CB-CG2 4.14Å; K42-V126 HydrophobicContact CD-CG2 4.3Å; K42-V126 HydrophobicContact CG-CG2 3.87Å; V122-V126 VanDerWaalsContact O-CG2 3.27Å; V122-V126 WeakPolarHBondContact O-CG2 3.3Å; V126-P128 HydrophobicContact CG1-CG 4.33Å; V126-I164 HydrophobicContact CG1-CD1 3.99Å; V126-P210 HydrophobicContact CB-CB 4.36Å; V126-P210 HydrophobicContact CB-CG 4.01Å; V126-P210 HydrophobicContact CG1-CB 4Å; V126-P210 HydrophobicContact CG1-CG 3.94Å; V126-G213 CarbonylContact O-C 3.56Å; V126-G213 WeakPolarHBondContact O-CA 3.34Å; V126-F214 PolarHBondContact O-N 2.78Å
127K97.8Very high96.4Very high62 Ų6245.6 Ų45.627%0.2724%0.237SC..  trans-131.199.6167.9-179.6173.5174.3175.50108.3R38 S39 I125 F214 W215 E217R38-K127 HydrophobicContact CG-CB 4.09Å; R38-K127 VanDerWaalsContact CZ-O 3.24Å; R38-K127 PolarHBondContact NE-O 2.83Å; R38-K127 PolarHBondContact NH2-O 2.85Å; S39-K127 PolarHBondContact O-N 2.98Å; I125-K127 PolarHBondContact O-N 2.82Å; K127-F214 HydrophobicContact CB-CB 4.03Å; K127-F214 HydrophobicContact CB-CD2 4.47Å; K127-F214 HydrophobicContact CD-CB 4.32Å; K127-F214 HydrophobicContact CG-CB 4.09Å; K127-W215 WeakPolarHBondContact CE-O 3.35Å; K127-W215 WeakPolarHBondContact CG-O 3.24Å; K127-E217 WeakPolarHBondContact CE-OE1 3.48Å; K127-E217 IonicContact NZ-OE1 3.74Å; K127-E217 PolarHBondContact NZ-OE1 2.69Å
128P97.3Very high96.3Very high1 Ų144 Ų441%0.00623%0.225CC..PPolyproline II helixtrans-60.1162.3-176.7-25.335.7000113.9R38 P40 V126 L166 F214 S216R38-P128 PolarHBondContact NH2-O 2.89Å; R38-P128 VanDerWaalsContact NH2-O 3.17Å; P40-P128 WeakPolarHBondContact O-CA 3.33Å; V126-P128 HydrophobicContact CG1-CG 4.33Å; P128-L166 HydrophobicContact CB-CD2 4.43Å; P128-L166 HydrophobicContact CG-CD2 3.77Å; P128-F214 WeakPolarHBondContact CD-O 3.44Å; P128-S216 WeakPolarHBondContact O-CA 3.47Å; P128-S216 VanDerWaalsContact O-CB 3.26Å; P128-S216 WeakPolarHBondContact O-CB 3.47Å
129N97.1Very high95.9Very high57 Ų5744.2 Ų44.231%0.30523%0.227SC..PPolyproline II helixtrans-70.8162.1161.4-67.8-27.3000109.7R38 P154 S216R38-N129 PolarHBondContact NH2-OD1 3.33Å; N129-P154 HydrophobicContact CB-CB 4.14Å; N129-P154 WeakPolarHBondContact O-CG 3.35Å; N129-S216 WeakPolarHBondContact O-CB 3.43Å
130P97.6Very high95.2Very high37 Ų3745.9 Ų45.924%0.2423%0.232CC..PPolyproline II helixtrans-61154.3175.5-22.234.3000112.3E217P130-E217 HydrophobicContact CG-CB 4.04Å
131P97.3Very high94.3Very high4 Ų449 Ų493%0.02625%0.248CC..PPolyproline II helixtrans-55.3145.2168.4-25.236000112.5W151 Y168 V206 C208P131-W151 HydrophobicContact CB-CB 4.3Å; P131-W151 HydrophobicContact CB-CG 4.32Å; P131-Y168 HydrophobicContact CG-CD1 3.97Å; P131-Y168 HydrophobicContact CG-CE1 4.08Å; P131-V206 HydrophobicContact CB-CB 4.46Å; P131-V206 HydrophobicContact CB-CG1 4.43Å; P131-V206 HydrophobicContact CG-CB 4.24Å; P131-V206 HydrophobicContact CG-CG1 3.98Å; P131-C208 HydrophobicContact CG-CB 4.07Å
132E95.5Very high93.2Very high73 Ų7355.2 Ų55.234%0.34127%0.274SS..EExtended strand (participates in β ladder)trans-104.5161.6-176.8-71.4175-134.200111.1V134 K152 K155E132-V134 PolarHBondContact O-N 2.94Å; E132-K152 PolarHBondContact N-O 3.33Å; E132-K152 VanDerWaalsContact N-O 3.11Å; E132-K152 PolarHBondContact O-N 3.06Å; E132-K155 VanDerWaalsContact OE1-CB 3.31Å; E132-K155 WeakPolarHBondContact OE1-CB 3.36Å; E132-K155 PolarHBondContact OE1-N 2.88Å
133E95.2Very high91.9Very high120 Ų12062.4 Ų62.456%0.56131%0.313SS*.EExtended strand (participates in β ladder)trans48.552.7177.1-62.2-177.2-124.600114.1V135 K152E133-V135 PolarHBondContact O-N 2.66Å; E133-V135 VanDerWaalsContact O-N 3.1Å; E133-K152 HydrophobicContact CB-CD 4.14Å; E133-K152 HydrophobicContact CG-CD 4.23Å; E133-K152 VanDerWaalsContact OE1-CD 3.24Å; E133-K152 WeakPolarHBondContact OE1-CD 3.23Å; E133-K152 IonicContact OE1-NZ 2.73Å; E133-K152 PolarHBondContact OE1-NZ 3.09Å; E133-K152 WeakPolarHBondContact OE2-CE 3.39Å; E133-K152 IonicContact OE2-NZ 2.71Å; E133-K152 PolarHBondContact OE2-NZ 2.78Å
134V96.6Very high90.9Very high28 Ų2869.3 Ų69.317%0.1734%0.339CS..EExtended strand (participates in β ladder)trans-72.3100.1176.6-179.20000110.3E132 V136 S150 W151 V206E132-V134 PolarHBondContact O-N 2.94Å; V134-V136 HydrophobicContact CG1-CG2 4.13Å; V134-S150 CarbonylContact C-O 3.55Å; V134-S150 WeakPolarHBondContact CA-O 3.43Å; V134-W151 HydrophobicContact CG2-CB 4.05Å; V134-V206 HydrophobicContact CG1-CG2 3.81Å; V134-V206 HydrophobicContact CG2-CB 4.36Å; V134-V206 HydrophobicContact CG2-CG2 4.06Å
135V96Very high90.4Very high66 Ų6663.1 Ų63.140%0.432%0.315SS..EExtended strand (participates in β ladder)trans-95.4137175.9178.40000109.3E133 S150E133-V135 PolarHBondContact O-N 2.66Å; E133-V135 VanDerWaalsContact O-N 3.1Å; V135-S150 PolarHBondContact N-O 2.84Å; V135-S150 PolarHBondContact O-N 2.93Å
136V95.8Very high90.1Very high17 Ų1762.7 Ų62.710%0.10331%0.313CS..EExtended strand (participates in β ladder)trans-135.3103-176-179.40000108.9V134 L147 V149 V204 V224V134-V136 HydrophobicContact CG1-CG2 4.13Å; V136-L147 HydrophobicContact CG1-CD1 3.8Å; V136-L147 HydrophobicContact CG1-CD2 3.8Å; V136-L147 HydrophobicContact CG1-CG 3.85Å; V136-V149 HydrophobicContact CG1-CG2 4.4Å; V136-V149 HydrophobicContact CG2-CG1 4.22Å; V136-V149 HydrophobicContact CG2-CG2 4.47Å; V136-V204 HydrophobicContact CG1-CG2 4.22Å; V136-V204 HydrophobicContact CG2-CB 4.18Å; V136-V204 HydrophobicContact CG2-CG1 4.19Å; V136-V224 HydrophobicContact CG1-CB 3.93Å; V136-V224 HydrophobicContact CG1-CG1 3.72Å; V136-V224 HydrophobicContact CG1-CG2 4.33Å
137N93.5Very high89.9Confident79 Ų7962.7 Ų62.742%0.42231%0.313SS..EExtended strand (participates in β ladder)trans-109.6144.7-179.4-65-16.8000110.1L147 Q148N137-L147 WeakPolarHBondContact O-CD1 3.29Å; N137-Q148 PolarHBondContact N-O 3.07Å; N137-Q148 PolarHBondContact O-N 2.86Å
138V92.3Very high89.8Confident40 Ų4062.9 Ų62.924%0.24231%0.314CS..EExtended strand (participates in β ladder)trans-86.5140.6159.4-169.10000107.6P145 L147 V224V138-P145 HydrophobicContact CG1-CB 3.96Å; V138-L147 HydrophobicContact CG2-CD1 3.9Å; V138-V224 HydrophobicContact CG2-CG2 3.6Å
139T88.8Confident89.7Confident51 Ų5162.8 Ų62.831%0.31331%0.314SS..EExtended strand (participates in β ladder)trans-143.8147.7177.2-57.30000108.6P145 F146T139-P145 CarbonylContact O-C 3.58Å; T139-P145 WeakPolarHBondContact O-CA 3.45Å; T139-F146 HydrophobicContact CG2-CE1 3.9Å; T139-F146 HydrophobicContact CG2-CE2 4.37Å; T139-F146 HydrophobicContact CG2-CZ 3.56Å; T139-F146 PolarHBondContact N-O 2.66Å; T139-F146 WeakPolarHBondContact O-CD1 3.21Å; T139-F146 WeakPolarHBondContact O-CE1 3.43Å; T139-F146 PolarHBondContact O-N 3.05Å; T139-F146 VanDerWaalsContact O-O 3.14Å
140E83.4Confident89.7Confident126 Ų12661.7 Ų61.759%0.58931%0.311SS*.EExtended strand (participates in β ladder)trans-111.1129.3-176.1-71.5162.8-169.800109.4P145E140-P145 HydrophobicContact CG-CB 3.96Å
141D76.8Confident89.7Confident79 Ų7960.5 Ų60.542%0.42230%0.301SS..EExtended strand (participates in β ladder)trans-119.4120.2167.218037.1000108.4D143 W144 F146D141-D143 VanDerWaalsContact C-N 3.32Å; D141-D143 PolarHBondContact O-N 2.69Å; D141-W144 PolarHBondContact N-O 2.98Å; D141-W144 VanDerWaalsContact N-O 3.1Å; D141-W144 PolarHBondContact O-N 3.33Å; D141-F146 HydrophobicContact CB-CD1 4.3Å; D141-F146 HydrophobicContact CB-CE1 3.86Å
142K72.6Confident89.7Confident158 Ų15865.1 Ų65.169%0.68732%0.321SS*.THydrogen-bonded Turntrans47.949.7178-57.6166.6-159.268.40113.1W144K142-W144 VanDerWaalsContact C-N 3.3Å; K142-W144 VanDerWaalsContact O-CD1 3.29Å; K142-W144 PolarHBondContact O-N 3.3Å
143D69.9Low89.7Confident151 Ų15163 Ų6381%0.80731%0.314SS*.THydrogen-bonded Turntrans71.95.9-178-44.9-43.9000116.5D141D141-D143 VanDerWaalsContact C-N 3.32Å; D141-D143 PolarHBondContact O-N 2.69Å
144W74.3Confident89.8Confident147 Ų14757.5 Ų57.556%0.55729%0.288SS*.EExtended strand (participates in β ladder)trans-106.7112.4177.3-69.958.4000111.2D141 K142 Q232D141-W144 PolarHBondContact N-O 2.98Å; D141-W144 VanDerWaalsContact N-O 3.1Å; D141-W144 PolarHBondContact O-N 3.33Å; K142-W144 VanDerWaalsContact C-N 3.3Å; K142-W144 VanDerWaalsContact O-CD1 3.29Å; K142-W144 PolarHBondContact O-N 3.3Å; W144-Q232 HydrophobicContact CZ2-CB 4.46Å
145P86.5Confident89.6Confident7 Ų764.8 Ų64.85%0.04532%0.318CS..EExtended strand (participates in β ladder)trans-75.2127.3175.828-32.1000111.5V138 T139 E140 Y229V138-P145 HydrophobicContact CG1-CB 3.96Å; T139-P145 CarbonylContact O-C 3.58Å; T139-P145 WeakPolarHBondContact O-CA 3.45Å; E140-P145 HydrophobicContact CG-CB 3.96Å; P145-Y229 HydrophobicContact CG-CD1 3.4Å; P145-Y229 VanDerWaalsContact CG-CD1 3.4Å; P145-Y229 HydrophobicContact CG-CD2 3.97Å; P145-Y229 HydrophobicContact CG-CE1 3.43Å; P145-Y229 VanDerWaalsContact CG-CE1 3.43Å; P145-Y229 HydrophobicContact CG-CE2 3.99Å; P145-Y229 HydrophobicContact CG-CG 3.67Å
146F90.6Very high89.2Confident13 Ų1367.4 Ų67.46%0.05733%0.327CS..EExtended strand (participates in β ladder)trans-122.5160.417367.9-88.2000110.3T139 D141 Q148 Q192 I193 Y194T139-F146 HydrophobicContact CG2-CE1 3.9Å; T139-F146 HydrophobicContact CG2-CE2 4.37Å; T139-F146 HydrophobicContact CG2-CZ 3.56Å; T139-F146 PolarHBondContact N-O 2.66Å; T139-F146 WeakPolarHBondContact O-CD1 3.21Å; T139-F146 WeakPolarHBondContact O-CE1 3.43Å; T139-F146 PolarHBondContact O-N 3.05Å; T139-F146 VanDerWaalsContact O-O 3.14Å; D141-F146 HydrophobicContact CB-CD1 4.3Å; D141-F146 HydrophobicContact CB-CE1 3.86Å; F146-Q148 HydrophobicContact CE2-CB 4.21Å; F146-Q192 HydrophobicContact CD2-CB 4.15Å; F146-Q192 HydrophobicContact CD2-CG 3.99Å; F146-Q192 HydrophobicContact CE2-CG 3.87Å; F146-I193 WeakPolarHBondContact CA-O 3.49Å; F146-Y194 HydrophobicContact CB-CD1 3.58Å; F146-Y194 HydrophobicContact CB-CE1 3.7Å; F146-Y194 HydrophobicContact CB-CG 4.33Å; F146-Y194 HydrophobicContact CD1-CE1 4.26Å; F146-Y194 HydrophobicContact CG-CD1 4.36Å; F146-Y194 AromaticContact CG-CE1 3.96Å; F146-Y194 HydrophobicContact CG-CE1 3.96Å
147L93.2Very high89Confident0 Ų067 Ų670%033%0.326CS..EExtended strand (participates in β ladder)trans-99.9116.7179.4-158.472.2000110V136 N137 V138 V149 Q192 I193 L196 V204 V224V136-L147 HydrophobicContact CG1-CD1 3.8Å; V136-L147 HydrophobicContact CG1-CD2 3.8Å; V136-L147 HydrophobicContact CG1-CG 3.85Å; N137-L147 WeakPolarHBondContact O-CD1 3.29Å; V138-L147 HydrophobicContact CG2-CD1 3.9Å; L147-V149 HydrophobicContact CD2-CG2 3.93Å; L147-V149 HydrophobicContact CG-CG2 4.13Å; L147-Q192 CarbonylContact O-C 3.53Å; L147-Q192 WeakPolarHBondContact O-CA 3.23Å; L147-I193 HydrophobicContact CB-CB 4.26Å; L147-I193 PolarHBondContact N-O 3.01Å; L147-I193 PolarHBondContact O-N 2.81Å; L147-L196 HydrophobicContact CB-CD1 4.01Å; L147-L196 HydrophobicContact CB-CD2 4.09Å; L147-V204 HydrophobicContact CD2-CG2 3.9Å; L147-V224 HydrophobicContact CD1-CB 4.48Å; L147-V224 HydrophobicContact CD1-CG1 3.76Å; L147-V224 HydrophobicContact CD1-CG2 4.03Å; L147-V224 HydrophobicContact CD2-CG1 4.26Å
148Q94.9Very high88.9Confident66 Ų6666.1 Ų66.131%0.30832%0.321SS..EExtended strand (participates in β ladder)trans-92.3105.2171.2-167.9178.638.200108.9N137 F146 T190N137-Q148 PolarHBondContact N-O 3.07Å; N137-Q148 PolarHBondContact O-N 2.86Å; F146-Q148 HydrophobicContact CE2-CB 4.21Å; Q148-T190 HydrophobicContact CG-CG2 3.96Å
149V96.7Very high88.9Confident0 Ų065.9 Ų65.90%032%0.32CS..EExtended strand (participates in β ladder)trans-99.3123.5174.7-175.50000107.5V136 L147 W151 V170 T190 L191 I193 V204 V206V136-V149 HydrophobicContact CG1-CG2 4.4Å; V136-V149 HydrophobicContact CG2-CG1 4.22Å; V136-V149 HydrophobicContact CG2-CG2 4.47Å; L147-V149 HydrophobicContact CD2-CG2 3.93Å; L147-V149 HydrophobicContact CG-CG2 4.13Å; V149-W151 HydrophobicContact CB-CZ3 4.19Å; V149-W151 HydrophobicContact CG1-CE3 3.88Å; V149-W151 HydrophobicContact CG1-CZ3 3.79Å; V149-W151 WeakPolarHBondContact O-CZ3 3.35Å; V149-V170 HydrophobicContact CG1-CG1 4.16Å; V149-V170 HydrophobicContact CG1-CG2 4.41Å; V149-T190 CarbonylContact O-C 3.6Å; V149-T190 VanDerWaalsContact O-CA 3.27Å; V149-T190 WeakPolarHBondContact O-CA 3.3Å; V149-L191 PolarHBondContact N-O 2.81Å; V149-L191 PolarHBondContact O-N 3.3Å; V149-I193 HydrophobicContact CG2-CD1 4.07Å; V149-V204 HydrophobicContact CG1-CG1 4Å; V149-V204 HydrophobicContact CG2-CG1 4.08Å; V149-V206 HydrophobicContact CG1-CG2 4.19Å
150S97.1Very high88.9Confident33 Ų3374.9 Ų74.923%0.23135%0.348CS..EExtended strand (participates in β ladder)trans-134.2152.6176.859.70000111.5V134 V135 K189V134-S150 CarbonylContact C-O 3.55Å; V134-S150 WeakPolarHBondContact CA-O 3.43Å; V135-S150 PolarHBondContact N-O 2.84Å; V135-S150 PolarHBondContact O-N 2.93Å; S150-K189 WeakPolarHBondContact CA-O 3.43Å
151W97.4Very high89.4Confident12 Ų1272.9 Ų72.95%0.04535%0.348CS..EExtended strand (participates in β ladder)trans-155.6162.3-174.657.491.5000111.9P131 V134 V149 Y168 V170 A185 R188 K189 L191 V206P131-W151 HydrophobicContact CB-CB 4.3Å; P131-W151 HydrophobicContact CB-CG 4.32Å; V134-W151 HydrophobicContact CG2-CB 4.05Å; V149-W151 HydrophobicContact CB-CZ3 4.19Å; V149-W151 HydrophobicContact CG1-CE3 3.88Å; V149-W151 HydrophobicContact CG1-CZ3 3.79Å; V149-W151 WeakPolarHBondContact O-CZ3 3.35Å; W151-Y168 AromaticContact CD1-CD1 3.69Å; W151-Y168 AromaticContact CD1-CE1 3.7Å; W151-Y168 AromaticContact CE2-CD1 3.96Å; W151-Y168 AromaticContact CE2-CG 3.85Å; W151-Y168 HydrophobicContact CZ2-CD1 4.48Å; W151-Y168 HydrophobicContact CZ2-CD2 4.43Å; W151-Y168 AromaticContact CZ2-CG 3.95Å; W151-Y168 HydrophobicContact CZ2-CG 3.95Å; W151-Y168 AromaticContact NE1-CD1 3.03Å; W151-Y168 AromaticContact NE1-CD2 3.71Å; W151-Y168 AromaticContact NE1-CE1 3.38Å; W151-Y168 AromaticContact NE1-CG 3.22Å; W151-Y168 AromaticContact NE1-CZ 3.88Å; W151-V170 HydrophobicContact CH2-CG2 3.61Å; W151-V170 HydrophobicContact CZ2-CG2 4.46Å; W151-V170 HydrophobicContact CZ3-CG2 3.66Å; W151-A185 HydrophobicContact CH2-CB 3.68Å; W151-A185 HydrophobicContact CZ2-CB 3.81Å; W151-R188 WeakPolarHBondContact CZ2-O 3.4Å; W151-K189 PolarHBondContact N-O 3.47Å; W151-L191 HydrophobicContact CH2-CB 3.89Å; W151-L191 HydrophobicContact CZ3-CB 4.04Å; W151-V206 HydrophobicContact CD2-CG1 3.93Å; W151-V206 HydrophobicContact CD2-CG2 4.3Å; W151-V206 HydrophobicContact CE3-CG1 4.29Å; W151-V206 HydrophobicContact CE3-CG2 4.03Å; W151-V206 HydrophobicContact CG-CG1 4.24Å; W151-V206 HydrophobicContact CZ2-CG1 4.31Å
152K96.8Very high90Very high101 Ų10171.4 Ų71.444%0.43935%0.351SS..EExtended strand (participates in β ladder)trans-99.5152.5169.9-76.9172.9178.8162.60111.2E132 E133E132-K152 PolarHBondContact N-O 3.33Å; E132-K152 VanDerWaalsContact N-O 3.11Å; E132-K152 PolarHBondContact O-N 3.06Å; E133-K152 HydrophobicContact CB-CD 4.14Å; E133-K152 HydrophobicContact CG-CD 4.23Å; E133-K152 VanDerWaalsContact OE1-CD 3.24Å; E133-K152 WeakPolarHBondContact OE1-CD 3.23Å; E133-K152 IonicContact OE1-NZ 2.73Å; E133-K152 PolarHBondContact OE1-NZ 3.09Å; E133-K152 WeakPolarHBondContact OE2-CE 3.39Å; E133-K152 IonicContact OE2-NZ 2.71Å; E133-K152 PolarHBondContact OE2-NZ 2.78Å
153P96.3Very high91Very high29 Ų2969 Ų6919%0.18834%0.338CS..PPolyproline II helixtrans-59.1157.1165.229.6-36.6000110K155 T159P153-K155 PolarHBondContact O-N 3.34Å; P153-T159 HydrophobicContact CB-CG2 3.93Å
154P96.1Very high92.1Very high4 Ų461.9 Ų61.93%0.02630%0.299CS..PPolyproline II helixtrans-57.6137.9171.8-18.230.3000110.5N129 M156 A157 L166N129-P154 HydrophobicContact CB-CB 4.14Å; N129-P154 WeakPolarHBondContact O-CG 3.35Å; P154-M156 PolarHBondContact O-N 2.97Å; P154-A157 HydrophobicContact CB-CB 4.38Å; P154-A157 WeakPolarHBondContact O-CB 3.14Å; P154-A157 PolarHBondContact O-N 2.84Å; P154-L166 HydrophobicContact CG-CD1 4.37Å
155K91.8Very high93.1Very high182 Ų18257.4 Ų57.479%0.79129%0.288SS*.THydrogen-bonded Turntrans-57.8-25.9-169.2-178.8174.7179.7178.40114.9E132 P153E132-K155 VanDerWaalsContact OE1-CB 3.31Å; E132-K155 WeakPolarHBondContact OE1-CB 3.36Å; E132-K155 PolarHBondContact OE1-N 2.88Å; P153-K155 PolarHBondContact O-N 3.34Å
156M87.9Confident93.6Very high120 Ų12057.3 Ų57.359%0.59129%0.288SS*.THydrogen-bonded Turntrans-86.2-16.9178.9-58.5-107.556.300112.9E41 P154 D158E41-M156 HydrophobicContact CB-CB 4.13Å; E41-M156 VanDerWaalsContact CB-O 3.22Å; E41-M156 WeakPolarHBondContact CB-O 3.41Å; E41-M156 HydrophobicContact CG-CB 4.2Å; E41-M156 WeakPolarHBondContact CG-O 3.26Å; P154-M156 PolarHBondContact O-N 2.97Å; M156-D158 PolarHBondContact O-N 2.96Å
157A91.6Very high93.9Very high9 Ų960 Ų607%0.07430%0.3CS..  trans-89.6106.3-173.300000111.9P154 T159 I164 L166P154-A157 HydrophobicContact CB-CB 4.38Å; P154-A157 WeakPolarHBondContact O-CB 3.14Å; P154-A157 PolarHBondContact O-N 2.84Å; A157-T159 VanDerWaalsContact C-N 3.28Å; A157-T159 PolarHBondContact O-N 3.18Å; A157-I164 HydrophobicContact CB-CG2 3.84Å; A157-L166 HydrophobicContact CB-CD1 4.08Å
158D92.4Very high94.2Very high60 Ų6060.2 Ų60.232%0.32130%0.3SS..  trans-72.782.2175.9-171.95.2000112.6M156 R160 S161 I164M156-D158 PolarHBondContact O-N 2.96Å; D158-R160 VanDerWaalsContact C-N 3.25Å; D158-R160 WeakPolarHBondContact OD1-CA 3.38Å; D158-R160 WeakPolarHBondContact OD1-CB 3.44Å; D158-R160 PolarHBondContact OD1-N 3.09Å; D158-S161 PolarHBondContact OD1-N 2.99Å; D158-S161 PolarHBondContact OD1-OG 2.96Å; D158-S161 WeakPolarHBondContact OD2-CB 3.43Å; D158-S161 PolarHBondContact OD2-OG 2.92Å; D158-I164 PolarHBondContact O-N 3.32Å
159T91.6Very high94.3Very high36 Ų3658 Ų5822%0.22129%0.29CS..  trans-83.57.116964.10000113.1P153 A157 I164 L166 K189P153-T159 HydrophobicContact CB-CG2 3.93Å; A157-T159 VanDerWaalsContact C-N 3.28Å; A157-T159 PolarHBondContact O-N 3.18Å; T159-I164 HydrophobicContact CG2-CG2 4.42Å; T159-L166 HydrophobicContact CG2-CB 4.34Å; T159-L166 HydrophobicContact CG2-CD1 3.76Å; T159-L166 HydrophobicContact CG2-CG 3.92Å; T159-K189 PolarHBondContact OG1-NZ 2.94Å
160R90.1Very high94.3Very high240 Ų24058 Ų5891%0.90629%0.29SS*.SBendtrans-100.2-40.6-178.8-173.3-178.5178.7-168-0.9112.2D158 G162D158-R160 VanDerWaalsContact C-N 3.25Å; D158-R160 WeakPolarHBondContact OD1-CA 3.38Å; D158-R160 WeakPolarHBondContact OD1-CB 3.44Å; D158-R160 PolarHBondContact OD1-N 3.09Å; R160-G162 VanDerWaalsContact C-N 3.28Å
161S92.4Very high94.3Very high84 Ų8458.4 Ų58.459%0.58729%0.286SS*.SBendtrans-75.2-19.9170.464.50000113.1D158 W163D158-S161 PolarHBondContact OD1-N 2.99Å; D158-S161 PolarHBondContact OD1-OG 2.96Å; D158-S161 WeakPolarHBondContact OD2-CB 3.43Å; D158-S161 PolarHBondContact OD2-OG 2.92Å; S161-W163 WeakPolarHBondContact OG-CB 3.44Å; S161-W163 PolarHBondContact OG-N 3.18Å
162G90.8Very high94.2Very high47 Ų4758 Ų5849%0.48529%0.285SS..SBendtrans91.40.7-171.700000114.2R160 I164R160-G162 VanDerWaalsContact C-N 3.28Å; G162-I164 VanDerWaalsContact C-N 3.27Å; G162-I164 PolarHBondContact O-N 2.82Å
163W92.5Very high94Very high108 Ų10855.2 Ų55.241%0.40927%0.273SS..SBendtrans-52.7-42.1179.3-178.1-103.6000113.5K42 V96 S161K42-W163 PolarHBondContact O-NE1 2.93Å; K42-W163 VanDerWaalsContact O-NE1 3.09Å; V96-W163 HydrophobicContact CG1-CZ2 4.19Å; V96-W163 HydrophobicContact CG2-CH2 3.88Å; V96-W163 HydrophobicContact CG2-CZ2 4.18Å; S161-W163 WeakPolarHBondContact OG-CB 3.44Å; S161-W163 PolarHBondContact OG-N 3.18Å
164I94.3Very high93.9Very high1 Ų154.4 Ų54.41%0.00527%0.267CS..SBendtrans-123.2120.6170.8-174.5170.4000110.8V126 A157 D158 T159 G162 L166V126-I164 HydrophobicContact CG1-CD1 3.99Å; A157-I164 HydrophobicContact CB-CG2 3.84Å; D158-I164 PolarHBondContact O-N 3.32Å; T159-I164 HydrophobicContact CG2-CG2 4.42Å; G162-I164 VanDerWaalsContact C-N 3.27Å; G162-I164 PolarHBondContact O-N 2.82Å; I164-L166 HydrophobicContact CD1-CD2 3.88Å; I164-L166 HydrophobicContact CG1-CD2 3.95Å; I164-L166 HydrophobicContact CG1-CG 4.32Å
165T94.9Very high93.5Very high53 Ų5358.1 Ų58.133%0.32528%0.284SS..  trans-91.5121.7173.2-69.40000109.1F167 Q187 P210 D211T165-F167 HydrophobicContact CG2-CE2 3.89Å; T165-F167 HydrophobicContact CG2-CZ 4.13Å; T165-Q187 HydrophobicContact CG2-CG 4.43Å; T165-P210 CarbonylContact O-C 3.59Å; T165-P210 WeakPolarHBondContact O-CA 3.06Å; T165-D211 PolarHBondContact O-N 3.15Å
166L96.4Very high92.9Very high6 Ų656.5 Ų56.53%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-111134.8-179.8-66.5-178.7000112.1P128 P154 A157 T159 I164 Y168 K209P128-L166 HydrophobicContact CB-CD2 4.43Å; P128-L166 HydrophobicContact CG-CD2 3.77Å; P154-L166 HydrophobicContact CG-CD1 4.37Å; A157-L166 HydrophobicContact CB-CD1 4.08Å; T159-L166 HydrophobicContact CG2-CB 4.34Å; T159-L166 HydrophobicContact CG2-CD1 3.76Å; T159-L166 HydrophobicContact CG2-CG 3.92Å; I164-L166 HydrophobicContact CD1-CD2 3.88Å; I164-L166 HydrophobicContact CG1-CD2 3.95Å; I164-L166 HydrophobicContact CG1-CG 4.32Å; L166-Y168 HydrophobicContact CB-CE1 4.47Å; L166-Y168 HydrophobicContact CB-CE2 4.04Å; L166-K209 CarbonylContact C-O 3.54Å; L166-K209 WeakPolarHBondContact CA-O 3.25Å
167F97.3Very high92.8Very high70 Ų7054.6 Ų54.631%0.30727%0.272SS..EExtended strand (participates in β ladder)trans-107.2134.8168.9-60.1-91.1000109.5T165 G186 Q187 C208 K209T165-F167 HydrophobicContact CG2-CE2 3.89Å; T165-F167 HydrophobicContact CG2-CZ 4.13Å; F167-G186 CarbonylContact C-O 3.59Å; F167-G186 WeakPolarHBondContact CA-O 3.3Å; F167-Q187 HydrophobicContact CD1-CG 3.85Å; F167-Q187 HydrophobicContact CE1-CG 3.73Å; F167-Q187 HydrophobicContact CZ-CG 4.32Å; F167-C208 CarbonylContact O-C 3.5Å; F167-C208 VanDerWaalsContact O-CA 3.22Å; F167-C208 WeakPolarHBondContact O-CA 3.36Å; F167-K209 HydrophobicContact CB-CG 4.07Å; F167-K209 PolarHBondContact N-O 3.48Å; F167-K209 PolarHBondContact O-N 2.9Å
168Y98.1Very high92.5Very high4 Ų462.1 Ų62.12%0.01631%0.311CS..EExtended strand (participates in β ladder)trans-111154.4-173.2-58.9-86.6000112.2P131 W151 L166 A185 G186 R188 R207 C208P131-Y168 HydrophobicContact CG-CD1 3.97Å; P131-Y168 HydrophobicContact CG-CE1 4.08Å; W151-Y168 AromaticContact CD1-CD1 3.69Å; W151-Y168 AromaticContact CD1-CE1 3.7Å; W151-Y168 AromaticContact CE2-CD1 3.96Å; W151-Y168 AromaticContact CE2-CG 3.85Å; W151-Y168 HydrophobicContact CZ2-CD1 4.48Å; W151-Y168 HydrophobicContact CZ2-CD2 4.43Å; W151-Y168 AromaticContact CZ2-CG 3.95Å; W151-Y168 HydrophobicContact CZ2-CG 3.95Å; W151-Y168 AromaticContact NE1-CD1 3.03Å; W151-Y168 AromaticContact NE1-CD2 3.71Å; W151-Y168 AromaticContact NE1-CE1 3.38Å; W151-Y168 AromaticContact NE1-CG 3.22Å; W151-Y168 AromaticContact NE1-CZ 3.88Å; L166-Y168 HydrophobicContact CB-CE1 4.47Å; L166-Y168 HydrophobicContact CB-CE2 4.04Å; Y168-A185 PolarHBondContact O-N 2.79Å; Y168-G186 PolarHBondContact N-O 3.1Å; Y168-R188 VanDerWaalsContact CD2-O 3.26Å; Y168-R188 WeakPolarHBondContact CD2-O 3.1Å; Y168-R207 WeakPolarHBondContact CA-O 3.31Å; Y168-C208 HydrophobicContact CD1-CB 3.5Å; Y168-C208 HydrophobicContact CE1-CB 3.61Å; Y168-C208 HydrophobicContact CG-CB 4.36Å
169E97.9Very high92.5Very high18 Ų1865 Ų658%0.08432%0.321CS..EExtended strand (participates in β ladder)trans-143.9130.9176.2-172.8161.8-9700109.7S184 V206 R207 W215 W218E169-S184 PolarHBondContact OE1-OG 2.98Å; E169-V206 CarbonylContact O-C 3.6Å; E169-V206 WeakPolarHBondContact O-CA 3.49Å; E169-V206 WeakPolarHBondContact O-CG1 3.31Å; E169-R207 HydrophobicContact CB-CG 4.09Å; E169-R207 PolarHBondContact N-O 3.02Å; E169-R207 PolarHBondContact O-N 3.03Å; E169-R207 IonicContact OE2-CZ 2.69Å; E169-R207 IonicContact OE2-NE 2.62Å; E169-R207 PolarHBondContact OE2-NE 3.47Å; E169-R207 IonicContact OE2-NH2 2.62Å; E169-R207 PolarHBondContact OE2-NH2 3.11Å; E169-W215 HydrophobicContact CB-CH2 3.62Å; E169-W215 HydrophobicContact CB-CZ3 3.79Å; E169-W215 HydrophobicContact CG-CH2 4.4Å; E169-W215 WeakPolarHBondContact OE2-CZ2 2.99Å; E169-W218 HydrophobicContact CG-CH2 4.39Å; E169-W218 WeakPolarHBondContact O-CZ3 3.47Å
170V97.5Very high92.6Very high0 Ų066.6 Ų66.60%032%0.323CS..EExtended strand (participates in β ladder)trans-104.9133.6179.5-175.60000107.4V149 W151 V183 L191 I193 V204 Q205 V206V149-V170 HydrophobicContact CG1-CG1 4.16Å; V149-V170 HydrophobicContact CG1-CG2 4.41Å; W151-V170 HydrophobicContact CH2-CG2 3.61Å; W151-V170 HydrophobicContact CZ2-CG2 4.46Å; W151-V170 HydrophobicContact CZ3-CG2 3.66Å; V170-V183 PolarHBondContact N-O 2.84Å; V170-V183 PolarHBondContact O-N 3.01Å; V170-L191 HydrophobicContact CB-CD2 3.93Å; V170-L191 HydrophobicContact CG2-CB 4.43Å; V170-L191 HydrophobicContact CG2-CD2 3.69Å; V170-I193 HydrophobicContact CG1-CD1 4.27Å; V170-V204 HydrophobicContact CG1-CG1 3.7Å; V170-Q205 CarbonylContact C-O 3.52Å; V170-Q205 WeakPolarHBondContact CA-O 3.31Å; V170-V206 HydrophobicContact CG2-CG1 4.22Å; V170-V206 HydrophobicContact CG2-CG2 4.18Å
171R95.9Very high92.8Very high43 Ų4357.6 Ų57.616%0.16229%0.291CS..EExtended strand (participates in β ladder)trans-112.9142.2163.771.1175.5-175.9-1681.1110.7W180 E181 E182 V204 Q205 W218R171-W180 HydrophobicContact CB-CE3 3.88Å; R171-W180 HydrophobicContact CB-CZ3 4.44Å; R171-W180 HydrophobicContact CG-CD2 4.08Å; R171-W180 HydrophobicContact CG-CE3 3.46Å; R171-W180 VanDerWaalsContact CG-CE3 3.46Å; R171-W180 HydrophobicContact CG-CH2 4.39Å; R171-W180 HydrophobicContact CG-CZ3 3.65Å; R171-E181 CarbonylContact C-O 3.47Å; R171-E181 VanDerWaalsContact CA-O 3.27Å; R171-E181 WeakPolarHBondContact CA-O 3.33Å; R171-E182 HydrophobicContact CB-CG 3.96Å; R171-V204 WeakPolarHBondContact O-CA 3.2Å; R171-Q205 HydrophobicContact CG-CB 4.03Å; R171-Q205 VanDerWaalsContact CZ-OE1 3.27Å; R171-Q205 PolarHBondContact N-O 2.78Å; R171-Q205 PolarHBondContact O-N 3.33Å; R171-W218 HydrophobicContact CB-CH2 3.64Å; R171-W218 HydrophobicContact CB-CZ2 4.3Å; R171-W218 HydrophobicContact CB-CZ3 3.82Å; R171-W218 HydrophobicContact CG-CD2 4.22Å; R171-W218 HydrophobicContact CG-CE3 3.78Å; R171-W218 HydrophobicContact CG-CH2 3.63Å; R171-W218 HydrophobicContact CG-CZ2 4.06Å; R171-W218 HydrophobicContact CG-CZ3 3.48Å; R171-W218 VanDerWaalsContact CG-CZ3 3.48Å; R171-W218 VanDerWaalsContact NH1-NE1 3.19Å
172L94.9Very high92.9Very high4 Ų458.2 Ų58.22%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-130.9147.4172.571.9167.3000111E181 V183 I193 Y202 E203 V204L172-E181 HydrophobicContact CD2-CB 4.01Å; L172-E181 HydrophobicContact CG-CB 4.49Å; L172-E181 PolarHBondContact N-O 3.31Å; L172-E181 PolarHBondContact O-N 3.33Å; L172-V183 HydrophobicContact CD2-CG2 4.19Å; L172-I193 HydrophobicContact CD1-CD1 4.13Å; L172-I193 HydrophobicContact CD1-CG2 3.96Å; L172-I193 HydrophobicContact CD2-CD1 4.14Å; L172-Y202 HydrophobicContact CB-CD1 4.47Å; L172-Y202 HydrophobicContact CD1-CD1 3.89Å; L172-Y202 HydrophobicContact CD1-CE1 3.98Å; L172-Y202 HydrophobicContact CG-CD1 4.45Å; L172-E203 VanDerWaalsContact CA-O 3.32Å; L172-E203 WeakPolarHBondContact CA-O 3.19Å; L172-V204 HydrophobicContact CB-CG2 4.13Å
173K94.3Very high93.1Very high41 Ų4157.9 Ų57.918%0.17827%0.274CS..EExtended strand (participates in β ladder)trans-134.8154.4164.663.3174.3174.91650109.1W180 Y202 E203K173-W180 HydrophobicContact CB-CD2 4.07Å; K173-W180 HydrophobicContact CB-CE3 3.82Å; K173-W180 HydrophobicContact CB-CZ3 4.25Å; K173-W180 HydrophobicContact CD-CD2 4.07Å; K173-W180 HydrophobicContact CD-CE3 4.22Å; K173-W180 HydrophobicContact CD-CH2 3.95Å; K173-W180 HydrophobicContact CD-CZ2 3.75Å; K173-W180 HydrophobicContact CD-CZ3 4.17Å; K173-W180 HydrophobicContact CG-CD2 4.08Å; K173-W180 HydrophobicContact CG-CE3 3.77Å; K173-W180 HydrophobicContact CG-CH2 3.96Å; K173-W180 HydrophobicContact CG-CZ2 4.23Å; K173-W180 HydrophobicContact CG-CZ3 3.71Å; K173-Y202 CarbonylContact O-C 3.59Å; K173-Y202 VanDerWaalsContact O-CA 3.29Å; K173-Y202 WeakPolarHBondContact O-CA 3.29Å; K173-Y202 WeakPolarHBondContact O-CD1 3.46Å; K173-E203 WeakPolarHBondContact CE-OE2 3.33Å; K173-E203 HydrophobicContact CG-CB 4.02Å; K173-E203 PolarHBondContact N-O 3.17Å; K173-E203 IonicContact NZ-OE1 3.05Å; K173-E203 IonicContact NZ-OE2 2.98Å; K173-E203 PolarHBondContact NZ-OE2 2.69Å; K173-E203 PolarHBondContact O-N 3.1Å
174L92.5Very high93.3Very high12 Ų1256.8 Ų56.86%0.06328%0.282CS..EExtended strand (participates in β ladder)trans-74.7141.1161.5-170.378.7000108N176 K177 R197 T201 Y202L174-N176 HydrophobicContact CD2-CB 4.44Å; L174-N176 PolarHBondContact O-N 2.62Å; L174-N176 VanDerWaalsContact O-N 3.15Å; L174-K177 HydrophobicContact CB-CB 4.19Å; L174-K177 HydrophobicContact CB-CD 4.07Å; L174-K177 HydrophobicContact CB-CG 4.07Å; L174-K177 HydrophobicContact CD2-CG 4.37Å; L174-K177 PolarHBondContact O-N 2.75Å; L174-R197 HydrophobicContact CD1-CB 4.21Å; L174-T201 WeakPolarHBondContact CD1-O 3.42Å; L174-Y202 HydrophobicContact CD1-CD2 4.08Å; L174-Y202 HydrophobicContact CD1-CE1 4.45Å; L174-Y202 HydrophobicContact CD1-CE2 3.68Å
175E87.7Confident93.3Very high83 Ų8357.1 Ų57.139%0.38829%0.285SS..THydrogen-bonded Turntrans-55-35.9-178.4-169.2162.8-131.700112.5K177 T201 R223E175-K177 VanDerWaalsContact C-N 3.28Å; E175-K177 PolarHBondContact O-N 2.62Å; E175-T201 HydrophobicContact CB-CG2 4.42Å; E175-T201 PolarHBondContact N-O 2.63Å; E175-T201 WeakPolarHBondContact OE2-CB 3.39Å; E175-T201 VanDerWaalsContact OE2-CG2 3.31Å; E175-T201 WeakPolarHBondContact OE2-CG2 2.86Å; E175-T201 PolarHBondContact OE2-OG1 2.8Å; E175-R223 IonicContact OE1-NH1 3.55Å
176N80.8Confident93.3Very high148 Ų14856 Ų5679%0.79128%0.284SS*.THydrogen-bonded Turntrans-8518.5176.3-59.7-4.4000114.2L174L174-N176 HydrophobicContact CD2-CB 4.44Å; L174-N176 PolarHBondContact O-N 2.62Å; L174-N176 VanDerWaalsContact O-N 3.15Å
177K85.2Confident93.2Very high79 Ų7961.3 Ų61.334%0.34331%0.309SS..  trans-130.8133.4177.2-78.6-174.3175.7-174.10111.3L174 E175 E181L174-K177 HydrophobicContact CB-CB 4.19Å; L174-K177 HydrophobicContact CB-CD 4.07Å; L174-K177 HydrophobicContact CB-CG 4.07Å; L174-K177 HydrophobicContact CD2-CG 4.37Å; L174-K177 PolarHBondContact O-N 2.75Å; E175-K177 VanDerWaalsContact C-N 3.28Å; E175-K177 PolarHBondContact O-N 2.62Å; K177-E181 IonicContact NZ-OE1 2.64Å; K177-E181 PolarHBondContact NZ-OE1 2.89Å
178N86Confident93.1Very high167 Ų16766.6 Ų66.689%0.89333%0.327SS*.SBendtrans-83.5-7.8173.5-63.4-7.6000114
179K91.8Very high92.9Very high122 Ų12270.6 Ų70.653%0.5334%0.344SS..  trans-95118.4-178.8-171.5174.7-178.7178.50109.5E414K179-E414 IonicContact NZ-OE1 3.18Å; K179-E414 PolarHBondContact NZ-OE1 3.37Å; K179-E414 IonicContact NZ-OE2 3.06Å; K179-E414 PolarHBondContact NZ-OE2 2.86Å
180W94.3Very high92.8Very high69 Ų6972.7 Ų72.726%0.26136%0.358SS..  trans-76.7146.2168.7-67.196.3000110.6R171 K173 E203 Q205R171-W180 HydrophobicContact CB-CE3 3.88Å; R171-W180 HydrophobicContact CB-CZ3 4.44Å; R171-W180 HydrophobicContact CG-CD2 4.08Å; R171-W180 HydrophobicContact CG-CE3 3.46Å; R171-W180 VanDerWaalsContact CG-CE3 3.46Å; R171-W180 HydrophobicContact CG-CH2 4.39Å; R171-W180 HydrophobicContact CG-CZ3 3.65Å; K173-W180 HydrophobicContact CB-CD2 4.07Å; K173-W180 HydrophobicContact CB-CE3 3.82Å; K173-W180 HydrophobicContact CB-CZ3 4.25Å; K173-W180 HydrophobicContact CD-CD2 4.07Å; K173-W180 HydrophobicContact CD-CE3 4.22Å; K173-W180 HydrophobicContact CD-CH2 3.95Å; K173-W180 HydrophobicContact CD-CZ2 3.75Å; K173-W180 HydrophobicContact CD-CZ3 4.17Å; K173-W180 HydrophobicContact CG-CD2 4.08Å; K173-W180 HydrophobicContact CG-CE3 3.77Å; K173-W180 HydrophobicContact CG-CH2 3.96Å; K173-W180 HydrophobicContact CG-CZ2 4.23Å; K173-W180 HydrophobicContact CG-CZ3 3.71Å; W180-E203 HydrophobicContact CH2-CB 4.48Å; W180-E203 HydrophobicContact CH2-CG 4.24Å; W180-Q205 HydrophobicContact CH2-CG 4.38Å
181E92.4Very high92.7Very high50 Ų5073.7 Ų73.723%0.23436%0.364CS..EExtended strand (participates in β ladder)trans-107125.5166.6-63.7172.4-147.100106.1R171 L172 K177 W419R171-E181 CarbonylContact C-O 3.47Å; R171-E181 VanDerWaalsContact CA-O 3.27Å; R171-E181 WeakPolarHBondContact CA-O 3.33Å; L172-E181 HydrophobicContact CD2-CB 4.01Å; L172-E181 HydrophobicContact CG-CB 4.49Å; L172-E181 PolarHBondContact N-O 3.31Å; L172-E181 PolarHBondContact O-N 3.33Å; K177-E181 IonicContact NZ-OE1 2.64Å; K177-E181 PolarHBondContact NZ-OE1 2.89Å; E181-W419 PolarHBondContact OE2-NE1 2.9Å
182E95.1Very high92.6Very high98 Ų9876.1 Ų76.146%0.45838%0.377SS..EExtended strand (participates in β ladder)trans-109.6134.3-178.3-54.9-160.1152.100110.2R171 R207 W218R171-E182 HydrophobicContact CB-CG 3.96Å; E182-R207 IonicContact OE1-NH2 2.69Å; E182-R207 IonicContact OE2-NH2 3.94Å; E182-R207 PolarHBondContact OE2-NH2 2.99Å; E182-R207 VanDerWaalsContact OE2-NH2 3.07Å; E182-W218 VanDerWaalsContact OE1-CZ2 3.29Å; E182-W218 WeakPolarHBondContact OE1-CZ2 3.46Å
183V95.5Very high92.5Very high40 Ų4076.5 Ų76.524%0.24238%0.379CS..EExtended strand (participates in β ladder)trans-135110.9-173.6-172.20000109.7V170 L172 A185 L191V170-V183 PolarHBondContact N-O 2.84Å; V170-V183 PolarHBondContact O-N 3.01Å; L172-V183 HydrophobicContact CD2-CG2 4.19Å; V183-A185 PolarHBondContact O-N 3.38Å; V183-L191 HydrophobicContact CB-CD2 4.16Å; V183-L191 HydrophobicContact CG1-CD2 3.83Å
184S95.5Very high92.2Very high85 Ų8580.2 Ų80.259%0.59439%0.393SS*.EExtended strand (participates in β ladder)trans-73124.1178.2-43.10000110.8E169E169-S184 PolarHBondContact OE1-OG 2.98Å
185A95.4Very high91.9Very high8 Ų882.3 Ų82.37%0.06641%0.408CS..EExtended strand (participates in β ladder)trans-94.3-3.9-178.100000113.5W151 Y168 V183 R188W151-A185 HydrophobicContact CH2-CB 3.68Å; W151-A185 HydrophobicContact CZ2-CB 3.81Å; Y168-A185 PolarHBondContact O-N 2.79Å; V183-A185 PolarHBondContact O-N 3.38Å; A185-R188 WeakPolarHBondContact O-CB 3.44Å; A185-R188 WeakPolarHBondContact O-CG 3.31Å; A185-R188 PolarHBondContact O-N 3.03Å
186G95.1Very high91.9Very high30 Ų3079 Ų7931%0.30939%0.393SS..EExtended strand (participates in β ladder)trans63.9-140.3-173.700000110.8F167 Y168 R188F167-G186 CarbonylContact C-O 3.59Å; F167-G186 WeakPolarHBondContact CA-O 3.3Å; Y168-G186 PolarHBondContact N-O 3.1Å; G186-R188 VanDerWaalsContact C-N 3.27Å; G186-R188 PolarHBondContact O-N 3.43Å
187Q94.7Very high92.2Very high116 Ų11679.1 Ų79.154%0.54238%0.382SS..THydrogen-bonded Turntrans-82.91177.7-65171-1200113.7T165 F167T165-Q187 HydrophobicContact CG2-CG 4.43Å; F167-Q187 HydrophobicContact CD1-CG 3.85Å; F167-Q187 HydrophobicContact CE1-CG 3.73Å; F167-Q187 HydrophobicContact CZ-CG 4.32Å
188R94.3Very high92.3Very high181 Ų18177.2 Ų77.268%0.68338%0.379SS*.  trans-68.9148-177.3-58.8177.1178.91730.1110.3W151 Y168 A185 G186W151-R188 WeakPolarHBondContact CZ2-O 3.4Å; Y168-R188 VanDerWaalsContact CD2-O 3.26Å; Y168-R188 WeakPolarHBondContact CD2-O 3.1Å; A185-R188 WeakPolarHBondContact O-CB 3.44Å; A185-R188 WeakPolarHBondContact O-CG 3.31Å; A185-R188 PolarHBondContact O-N 3.03Å; G186-R188 VanDerWaalsContact C-N 3.27Å; G186-R188 PolarHBondContact O-N 3.43Å
189K94.9Very high92.4Very high89 Ų8970.3 Ų70.339%0.38735%0.347SS..SBendtrans-101.42.3176.9-65.8174.3179.2175.60113S150 W151 T159S150-K189 WeakPolarHBondContact CA-O 3.43Å; W151-K189 PolarHBondContact N-O 3.47Å; T159-K189 PolarHBondContact OG1-NZ 2.94Å
190T95.7Very high92.3Very high61 Ų6164.9 Ų64.937%0.37433%0.326SS..EExtended strand (participates in β ladder)trans-144.4141.7178.3-53.80000108.8Q148 V149Q148-T190 HydrophobicContact CG-CG2 3.96Å; V149-T190 CarbonylContact O-C 3.6Å; V149-T190 VanDerWaalsContact O-CA 3.27Å; V149-T190 WeakPolarHBondContact O-CA 3.3Å
191L95.1Very high92.2Very high22 Ų2263.6 Ų63.612%0.11533%0.326CS..EExtended strand (participates in β ladder)trans-133140.1174.8-178.267000109.7V149 W151 V170 V183 I193V149-L191 PolarHBondContact N-O 2.81Å; V149-L191 PolarHBondContact O-N 3.3Å; W151-L191 HydrophobicContact CH2-CB 3.89Å; W151-L191 HydrophobicContact CZ3-CB 4.04Å; V170-L191 HydrophobicContact CB-CD2 3.93Å; V170-L191 HydrophobicContact CG2-CB 4.43Å; V170-L191 HydrophobicContact CG2-CD2 3.69Å; V183-L191 HydrophobicContact CB-CD2 4.16Å; V183-L191 HydrophobicContact CG1-CD2 3.83Å; L191-I193 HydrophobicContact CD2-CD1 4.05Å; L191-I193 HydrophobicContact CD2-CG1 3.91Å; L191-I193 HydrophobicContact CG-CG1 4.01Å
192Q93.4Very high92.3Very high94 Ų9462.3 Ų62.344%0.43932%0.319SS..EExtended strand (participates in β ladder)trans-105.2126.2170.5-69.8168.4-57.700108.5F146 L147 Y194F146-Q192 HydrophobicContact CD2-CB 4.15Å; F146-Q192 HydrophobicContact CD2-CG 3.99Å; F146-Q192 HydrophobicContact CE2-CG 3.87Å; L147-Q192 CarbonylContact O-C 3.53Å; L147-Q192 WeakPolarHBondContact O-CA 3.23Å; Q192-Y194 HydrophobicContact CB-CE2 3.94Å
193I92.1Very high92.3Very high12 Ų1259.2 Ų59.26%0.06231%0.305CS..EExtended strand (participates in β ladder)trans-117.4119.3-180-50.4176.2000108.4F146 L147 V149 V170 L172 L191F146-I193 WeakPolarHBondContact CA-O 3.49Å; L147-I193 HydrophobicContact CB-CB 4.26Å; L147-I193 PolarHBondContact N-O 3.01Å; L147-I193 PolarHBondContact O-N 2.81Å; V149-I193 HydrophobicContact CG2-CD1 4.07Å; V170-I193 HydrophobicContact CG1-CD1 4.27Å; L172-I193 HydrophobicContact CD1-CD1 4.13Å; L172-I193 HydrophobicContact CD1-CG2 3.96Å; L172-I193 HydrophobicContact CD2-CD1 4.14Å; L191-I193 HydrophobicContact CD2-CD1 4.05Å; L191-I193 HydrophobicContact CD2-CG1 3.91Å; L191-I193 HydrophobicContact CG-CG1 4.01Å
194Y88.9Confident92.4Very high119 Ų11957.3 Ų57.347%0.46729%0.293SS..  trans-95.9178.5-175.4-63.5-83.6000112F146 Q192 L196F146-Y194 HydrophobicContact CB-CD1 3.58Å; F146-Y194 HydrophobicContact CB-CE1 3.7Å; F146-Y194 HydrophobicContact CB-CG 4.33Å; F146-Y194 HydrophobicContact CD1-CE1 4.26Å; F146-Y194 HydrophobicContact CG-CD1 4.36Å; F146-Y194 AromaticContact CG-CE1 3.96Å; F146-Y194 HydrophobicContact CG-CE1 3.96Å; Q192-Y194 HydrophobicContact CB-CE2 3.94Å; Y194-L196 VanDerWaalsContact C-N 3.35Å; Y194-L196 PolarHBondContact O-N 3.15Å
195S85.4Confident92.4Very high56 Ų5654.1 Ų54.139%0.39227%0.269SS..SBendtrans57.743.3167.8-57.30000114.5W419S195-W419 WeakPolarHBondContact O-CH2 3.46Å
196L88Confident92.6Very high14 Ų1453.8 Ų53.87%0.07327%0.266CS..  trans-65.5174.1178.1-54.3175.7000112.1L147 Y194 Y202 V226 Y229L147-L196 HydrophobicContact CB-CD1 4.01Å; L147-L196 HydrophobicContact CB-CD2 4.09Å; Y194-L196 VanDerWaalsContact C-N 3.35Å; Y194-L196 PolarHBondContact O-N 3.15Å; L196-Y202 HydrophobicContact CB-CE2 4.41Å; L196-V226 HydrophobicContact CB-CG1 4.12Å; L196-V226 HydrophobicContact CB-CG2 4.16Å; L196-V226 HydrophobicContact CD1-CG1 4.03Å; L196-V226 HydrophobicContact CD1-CG2 3.75Å; L196-V226 HydrophobicContact CG-CG2 4.47Å; L196-Y229 PolarHBondContact O-OH 3.04Å
197R86.7Confident92.7Very high149 Ų14954.3 Ų54.356%0.56226%0.259SS*.  trans-95.5115.9167.8-179.9168.8-70.4-151.4-3.8109.8L174 G199 G200 Y202L174-R197 HydrophobicContact CD1-CB 4.21Å; R197-G199 PolarHBondContact O-N 2.9Å; R197-G200 PolarHBondContact O-N 2.93Å; R197-Y202 HydrophobicContact CB-CE2 4.22Å; R197-Y202 WeakPolarHBondContact CB-OH 3.47Å; R197-Y202 PolarHBondContact N-OH 2.92Å
198S87.4Confident92.8Very high39 Ų3948.8 Ų48.827%0.27323%0.233SC..THydrogen-bonded Turntrans-43.9129.5167177.70000112.1G200 E228 Y229S198-G200 PolarHBondContact O-N 2.78Å; S198-E228 WeakPolarHBondContact OG-CA 3.08Å; S198-Y229 VanDerWaalsContact CA-CE1 3.48Å; S198-Y229 WeakPolarHBondContact CB-O 3.34Å; S198-Y229 PolarHBondContact OG-N 2.94Å; S198-Y229 PolarHBondContact OG-O 2.69Å
199G87.7Confident92.9Very high22 Ų2244 Ų4423%0.22722%0.217CC..THydrogen-bonded Turntrans69.3-0.2-177.200000116.3R197 K225 V226 P227R197-G199 PolarHBondContact O-N 2.9Å; G199-K225 VanDerWaalsContact O-CE 3.25Å; G199-K225 WeakPolarHBondContact O-CE 3.4Å; G199-V226 CarbonylContact C-O 3.6Å; G199-V226 VanDerWaalsContact CA-O 3.27Å; G199-V226 WeakPolarHBondContact CA-O 3.48Å; G199-V226 PolarHBondContact N-O 2.85Å; G199-P227 PolarHBondContact N-O 3.5Å
200G89.8Confident93Very high9 Ų939.9 Ų39.99%0.09320%0.2CC..  trans-81.8134.9-172.900000114.4R197 S198 V226R197-G200 PolarHBondContact O-N 2.93Å; S198-G200 PolarHBondContact O-N 2.78Å; G200-V226 PolarHBondContact O-N 3.4Å
201T93.9Very high92.8Very high42 Ų4240.1 Ų40.126%0.25820%0.198SC..EExtended strand (participates in β ladder)trans-77.3129.1162.2-39.50000110L174 E175 V224L174-T201 WeakPolarHBondContact CD1-O 3.42Å; E175-T201 HydrophobicContact CB-CG2 4.42Å; E175-T201 PolarHBondContact N-O 2.63Å; E175-T201 WeakPolarHBondContact OE2-CB 3.39Å; E175-T201 VanDerWaalsContact OE2-CG2 3.31Å; E175-T201 WeakPolarHBondContact OE2-CG2 2.86Å; E175-T201 PolarHBondContact OE2-OG1 2.8Å; T201-V224 CarbonylContact C-O 3.55Å; T201-V224 WeakPolarHBondContact CA-O 3.26Å
202Y93.8Very high92.7Very high22 Ų2243.2 Ų43.29%0.08621%0.212CC..EExtended strand (participates in β ladder)trans-112142.5172.1-77.5-100.1000111L172 K173 L174 L196 R197 R223 V224 V226L172-Y202 HydrophobicContact CB-CD1 4.47Å; L172-Y202 HydrophobicContact CD1-CD1 3.89Å; L172-Y202 HydrophobicContact CD1-CE1 3.98Å; L172-Y202 HydrophobicContact CG-CD1 4.45Å; K173-Y202 CarbonylContact O-C 3.59Å; K173-Y202 VanDerWaalsContact O-CA 3.29Å; K173-Y202 WeakPolarHBondContact O-CA 3.29Å; K173-Y202 WeakPolarHBondContact O-CD1 3.46Å; L174-Y202 HydrophobicContact CD1-CD2 4.08Å; L174-Y202 HydrophobicContact CD1-CE1 4.45Å; L174-Y202 HydrophobicContact CD1-CE2 3.68Å; L196-Y202 HydrophobicContact CB-CE2 4.41Å; R197-Y202 HydrophobicContact CB-CE2 4.22Å; R197-Y202 WeakPolarHBondContact CB-OH 3.47Å; R197-Y202 PolarHBondContact N-OH 2.92Å; Y202-R223 WeakPolarHBondContact O-CA 3.32Å; Y202-V224 PolarHBondContact N-O 3.05Å; Y202-V224 PolarHBondContact O-N 2.82Å; Y202-V226 HydrophobicContact CD2-CG2 3.74Å; Y202-V226 HydrophobicContact CE2-CG2 3.93Å
203E95.5Very high92.7Very high33 Ų3340.6 Ų40.615%0.15421%0.21CC..EExtended strand (participates in β ladder)trans-107.6128.9168.2-165.8-172.8134.900108.4L172 K173 W180 S221 S222 R223L172-E203 VanDerWaalsContact CA-O 3.32Å; L172-E203 WeakPolarHBondContact CA-O 3.19Å; K173-E203 WeakPolarHBondContact CE-OE2 3.33Å; K173-E203 HydrophobicContact CG-CB 4.02Å; K173-E203 PolarHBondContact N-O 3.17Å; K173-E203 IonicContact NZ-OE1 3.05Å; K173-E203 IonicContact NZ-OE2 2.98Å; K173-E203 PolarHBondContact NZ-OE2 2.69Å; K173-E203 PolarHBondContact O-N 3.1Å; W180-E203 HydrophobicContact CH2-CB 4.48Å; W180-E203 HydrophobicContact CH2-CG 4.24Å; E203-S221 VanDerWaalsContact OE1-CB 3.24Å; E203-S221 WeakPolarHBondContact OE1-CB 3.11Å; E203-S221 PolarHBondContact OE1-OG 2.84Å; E203-S222 WeakPolarHBondContact CA-O 3.34Å; E203-R223 HydrophobicContact CB-CG 4.37Å; E203-R223 HydrophobicContact CG-CG 4.11Å
204V96.3Very high92.9Very high0 Ų046 Ų460%023%0.234CC..EExtended strand (participates in β ladder)trans-128135.8-172.8-177.50000110.3V136 L147 V149 V170 R171 L172 S222V136-V204 HydrophobicContact CG1-CG2 4.22Å; V136-V204 HydrophobicContact CG2-CB 4.18Å; V136-V204 HydrophobicContact CG2-CG1 4.19Å; L147-V204 HydrophobicContact CD2-CG2 3.9Å; V149-V204 HydrophobicContact CG1-CG1 4Å; V149-V204 HydrophobicContact CG2-CG1 4.08Å; V170-V204 HydrophobicContact CG1-CG1 3.7Å; R171-V204 WeakPolarHBondContact O-CA 3.2Å; L172-V204 HydrophobicContact CB-CG2 4.13Å; V204-S222 PolarHBondContact N-O 3.04Å; V204-S222 PolarHBondContact O-N 2.85Å
205Q97.4Very high93.4Very high19 Ų1944 Ų449%0.08923%0.225CC..EExtended strand (participates in β ladder)trans-137152.1173.8-66.8178.4-73.500110.7V170 R171 W180 W218 S219 S221V170-Q205 CarbonylContact C-O 3.52Å; V170-Q205 WeakPolarHBondContact CA-O 3.31Å; R171-Q205 HydrophobicContact CG-CB 4.03Å; R171-Q205 VanDerWaalsContact CZ-OE1 3.27Å; R171-Q205 PolarHBondContact N-O 2.78Å; R171-Q205 PolarHBondContact O-N 3.33Å; W180-Q205 HydrophobicContact CH2-CG 4.38Å; Q205-W218 HydrophobicContact CB-CB 4.26Å; Q205-W218 HydrophobicContact CB-CD2 4.48Å; Q205-W218 HydrophobicContact CB-CE3 3.9Å; Q205-S219 WeakPolarHBondContact CA-OG 3.2Å; Q205-S219 PolarHBondContact NE2-O 3.03Å; Q205-S221 VanDerWaalsContact CD-OG 3.23Å; Q205-S221 WeakPolarHBondContact CG-OG 3.24Å; Q205-S221 PolarHBondContact NE2-OG 2.85Å
206V98.1Very high94Very high0 Ų041.6 Ų41.60%021%0.208CC..EExtended strand (participates in β ladder)trans-123.7140.8177.6-1650000109.7P131 V134 V149 W151 E169 V170 S219P131-V206 HydrophobicContact CB-CB 4.46Å; P131-V206 HydrophobicContact CB-CG1 4.43Å; P131-V206 HydrophobicContact CG-CB 4.24Å; P131-V206 HydrophobicContact CG-CG1 3.98Å; V134-V206 HydrophobicContact CG1-CG2 3.81Å; V134-V206 HydrophobicContact CG2-CB 4.36Å; V134-V206 HydrophobicContact CG2-CG2 4.06Å; V149-V206 HydrophobicContact CG1-CG2 4.19Å; W151-V206 HydrophobicContact CD2-CG1 3.93Å; W151-V206 HydrophobicContact CD2-CG2 4.3Å; W151-V206 HydrophobicContact CE3-CG1 4.29Å; W151-V206 HydrophobicContact CE3-CG2 4.03Å; W151-V206 HydrophobicContact CG-CG1 4.24Å; W151-V206 HydrophobicContact CZ2-CG1 4.31Å; E169-V206 CarbonylContact O-C 3.6Å; E169-V206 WeakPolarHBondContact O-CA 3.49Å; E169-V206 WeakPolarHBondContact O-CG1 3.31Å; V170-V206 HydrophobicContact CG2-CG1 4.22Å; V170-V206 HydrophobicContact CG2-CG2 4.18Å; V206-S219 PolarHBondContact N-OG 2.93Å; V206-S219 WeakPolarHBondContact O-CB 3.41Å; V206-S219 PolarHBondContact O-N 3.38Å
207R97.9Very high94.4Very high41 Ų4146.4 Ų46.416%0.15523%0.231CC..EExtended strand (participates in β ladder)trans-124.7164.5167.367.1174.8173.7-152.9-12.2110.7Y168 E169 E182 W215 W218Y168-R207 WeakPolarHBondContact CA-O 3.31Å; E169-R207 HydrophobicContact CB-CG 4.09Å; E169-R207 PolarHBondContact N-O 3.02Å; E169-R207 PolarHBondContact O-N 3.03Å; E169-R207 IonicContact OE2-CZ 2.69Å; E169-R207 IonicContact OE2-NE 2.62Å; E169-R207 PolarHBondContact OE2-NE 3.47Å; E169-R207 IonicContact OE2-NH2 2.62Å; E169-R207 PolarHBondContact OE2-NH2 3.11Å; E182-R207 IonicContact OE1-NH2 2.69Å; E182-R207 IonicContact OE2-NH2 3.94Å; E182-R207 PolarHBondContact OE2-NH2 2.99Å; E182-R207 VanDerWaalsContact OE2-NH2 3.07Å; R207-W215 HydrophobicContact CB-CE3 4.38Å; R207-W215 HydrophobicContact CG-CD2 4.3Å; R207-W215 HydrophobicContact CG-CE3 3.58Å; R207-W215 HydrophobicContact CG-CZ3 3.86Å; R207-W218 HydrophobicContact CB-CD2 4.01Å; R207-W218 HydrophobicContact CB-CE3 3.74Å; R207-W218 HydrophobicContact CB-CZ3 4.01Å; R207-W218 HydrophobicContact CG-CD2 4.13Å; R207-W218 HydrophobicContact CG-CE3 3.82Å; R207-W218 HydrophobicContact CG-CH2 3.69Å; R207-W218 HydrophobicContact CG-CZ2 4.01Å; R207-W218 HydrophobicContact CG-CZ3 3.58Å; R207-W218 VanDerWaalsContact NE-CZ2 3.33Å
208C97.6Very high94.9Very high0 Ų041.3 Ų41.30%021%0.212CC..EExtended strand (participates in β ladder)trans-134.8155.6173.769.50000112.2P131 F167 Y168 W215 S216P131-C208 HydrophobicContact CG-CB 4.07Å; F167-C208 CarbonylContact O-C 3.5Å; F167-C208 VanDerWaalsContact O-CA 3.22Å; F167-C208 WeakPolarHBondContact O-CA 3.36Å; Y168-C208 HydrophobicContact CD1-CB 3.5Å; Y168-C208 HydrophobicContact CE1-CB 3.61Å; Y168-C208 HydrophobicContact CG-CB 4.36Å; C208-W215 VanDerWaalsContact C-CE3 3.47Å; C208-W215 CarbonylContact O-C 3.55Å; C208-W215 WeakPolarHBondContact O-CA 3.48Å; C208-S216 PolarHBondContact N-OG 3.03Å; C208-S216 WeakPolarHBondContact O-CB 3.28Å; C208-S216 PolarHBondContact O-N 2.89Å; C208-S216 PolarHBondContact O-OG 3.2Å
209K96.4Very high95.4Very high80 Ų8039.6 Ų39.635%0.34820%0.199SC..EExtended strand (participates in β ladder)trans-133.2153.8170.263.9169.8176.9173.70110.6L166 F167 W215L166-K209 CarbonylContact C-O 3.54Å; L166-K209 WeakPolarHBondContact CA-O 3.25Å; F167-K209 HydrophobicContact CB-CG 4.07Å; F167-K209 PolarHBondContact N-O 3.48Å; F167-K209 PolarHBondContact O-N 2.9Å; K209-W215 HydrophobicContact CB-CD2 3.78Å; K209-W215 HydrophobicContact CB-CE3 3.56Å; K209-W215 HydrophobicContact CB-CG 4.29Å; K209-W215 HydrophobicContact CB-CZ3 3.96Å; K209-W215 HydrophobicContact CD-CD2 4.07Å; K209-W215 HydrophobicContact CD-CE3 4.25Å; K209-W215 HydrophobicContact CD-CH2 3.89Å; K209-W215 HydrophobicContact CD-CZ2 3.7Å; K209-W215 HydrophobicContact CD-CZ3 4.17Å; K209-W215 HydrophobicContact CG-CD2 4.07Å; K209-W215 HydrophobicContact CG-CE3 3.79Å; K209-W215 HydrophobicContact CG-CH2 3.84Å; K209-W215 HydrophobicContact CG-CZ2 4.14Å; K209-W215 HydrophobicContact CG-CZ3 3.66Å
210P96Very high95.8Very high4 Ų443.8 Ų43.83%0.02622%0.223CC..EExtended strand (participates in β ladder)trans-72.2-178.9169.733.9-38.5000112.4V126 T165 H212 F214V126-P210 HydrophobicContact CB-CB 4.36Å; V126-P210 HydrophobicContact CB-CG 4.01Å; V126-P210 HydrophobicContact CG1-CB 4Å; V126-P210 HydrophobicContact CG1-CG 3.94Å; T165-P210 CarbonylContact O-C 3.59Å; T165-P210 WeakPolarHBondContact O-CA 3.06Å; P210-H212 WeakPolarHBondContact CB-O 3.37Å; P210-H212 WeakPolarHBondContact CG-O 3.29Å; P210-F214 VanDerWaalsContact CD-O 3.25Å; P210-F214 WeakPolarHBondContact CD-O 3.18Å
211D92Very high96.1Very high65 Ų6546 Ų4635%0.34824%0.236SC..SBendtrans-56.5-47.2160.457.2-37.1000112.2K42 T165K42-D211 IonicContact NZ-OD1 3.07Å; K42-D211 PolarHBondContact NZ-OD1 3.13Å; K42-D211 IonicContact NZ-OD2 2.86Å; K42-D211 PolarHBondContact NZ-OD2 3.1Å; T165-D211 PolarHBondContact O-N 3.15Å
212H92.1Very high96.1Very high88 Ų8845.4 Ų45.441%0.40723%0.234SC..SBendtrans-133.4128.6-179.4-63.9-55.5000109.9V123 Y124 P210V123-H212 HydrophobicContact CG1-CB 3.89Å; V123-H212 CarbonylContact O-C 3.49Å; Y124-H212 HydrophobicContact CD1-CB 3.98Å; Y124-H212 HydrophobicContact CE1-CB 4.07Å; P210-H212 WeakPolarHBondContact CB-O 3.37Å; P210-H212 WeakPolarHBondContact CG-O 3.29Å
213G93.6Very high96.1Very high39 Ų3952.5 Ų52.540%0.40226%0.261SS..SBendtrans122.9-147.8-17500000113.1V126V126-G213 CarbonylContact O-C 3.56Å; V126-G213 WeakPolarHBondContact O-CA 3.34Å
214F97.3Very high96Very high125 Ų12551.7 Ų51.755%0.54826%0.258SS..  trans-118.7154.8-163.3-55.2-86.6000113.3Y124 V126 K127 P128 P210Y124-F214 WeakPolarHBondContact O-CE2 2.97Å; V126-F214 PolarHBondContact O-N 2.78Å; K127-F214 HydrophobicContact CB-CB 4.03Å; K127-F214 HydrophobicContact CB-CD2 4.47Å; K127-F214 HydrophobicContact CD-CB 4.32Å; K127-F214 HydrophobicContact CG-CB 4.09Å; P128-F214 WeakPolarHBondContact CD-O 3.44Å; P210-F214 VanDerWaalsContact CD-O 3.25Å; P210-F214 WeakPolarHBondContact CD-O 3.18Å
215W97.8Very high95.9Very high76 Ų7657.6 Ų57.629%0.28828%0.284SS..PPolyproline II helixtrans-60.2139.7167.1-71.6112.2000111.7K127 E169 R207 C208 K209K127-W215 WeakPolarHBondContact CE-O 3.35Å; K127-W215 WeakPolarHBondContact CG-O 3.24Å; E169-W215 HydrophobicContact CB-CH2 3.62Å; E169-W215 HydrophobicContact CB-CZ3 3.79Å; E169-W215 HydrophobicContact CG-CH2 4.4Å; E169-W215 WeakPolarHBondContact OE2-CZ2 2.99Å; R207-W215 HydrophobicContact CB-CE3 4.38Å; R207-W215 HydrophobicContact CG-CD2 4.3Å; R207-W215 HydrophobicContact CG-CE3 3.58Å; R207-W215 HydrophobicContact CG-CZ3 3.86Å; C208-W215 VanDerWaalsContact C-CE3 3.47Å; C208-W215 CarbonylContact O-C 3.55Å; C208-W215 WeakPolarHBondContact O-CA 3.48Å; K209-W215 HydrophobicContact CB-CD2 3.78Å; K209-W215 HydrophobicContact CB-CE3 3.56Å; K209-W215 HydrophobicContact CB-CG 4.29Å; K209-W215 HydrophobicContact CB-CZ3 3.96Å; K209-W215 HydrophobicContact CD-CD2 4.07Å; K209-W215 HydrophobicContact CD-CE3 4.25Å; K209-W215 HydrophobicContact CD-CH2 3.89Å; K209-W215 HydrophobicContact CD-CZ2 3.7Å; K209-W215 HydrophobicContact CD-CZ3 4.17Å; K209-W215 HydrophobicContact CG-CD2 4.07Å; K209-W215 HydrophobicContact CG-CE3 3.79Å; K209-W215 HydrophobicContact CG-CH2 3.84Å; K209-W215 HydrophobicContact CG-CZ2 4.14Å; K209-W215 HydrophobicContact CG-CZ3 3.66Å
216S97.9Very high95.6Very high6 Ų656.7 Ų56.74%0.04228%0.28CS..PPolyproline II helixtrans-60.4166.1163.872.90000111.2P128 N129 C208P128-S216 WeakPolarHBondContact O-CA 3.47Å; P128-S216 VanDerWaalsContact O-CB 3.26Å; P128-S216 WeakPolarHBondContact O-CB 3.47Å; N129-S216 WeakPolarHBondContact O-CB 3.43Å; C208-S216 PolarHBondContact N-OG 3.03Å; C208-S216 WeakPolarHBondContact O-CB 3.28Å; C208-S216 PolarHBondContact O-N 2.89Å; C208-S216 PolarHBondContact O-OG 3.2Å
217E97.8Very high95.1Very high116 Ų11659.3 Ų59.354%0.54230%0.297SS..PPolyproline II helixtrans-60.8161.8157.7-56.9-51.714100110.3K127 P130K127-E217 WeakPolarHBondContact CE-OE1 3.48Å; K127-E217 IonicContact NZ-OE1 3.74Å; K127-E217 PolarHBondContact NZ-OE1 2.69Å; P130-E217 HydrophobicContact CG-CB 4.04Å
218W97.6Very high94.5Very high42 Ų4264.4 Ų64.416%0.15932%0.323CS..PPolyproline II helixtrans-69.9146.6172-68.298.2000111E169 R171 E182 Q205 R207E169-W218 HydrophobicContact CG-CH2 4.39Å; E169-W218 WeakPolarHBondContact O-CZ3 3.47Å; R171-W218 HydrophobicContact CB-CH2 3.64Å; R171-W218 HydrophobicContact CB-CZ2 4.3Å; R171-W218 HydrophobicContact CB-CZ3 3.82Å; R171-W218 HydrophobicContact CG-CD2 4.22Å; R171-W218 HydrophobicContact CG-CE3 3.78Å; R171-W218 HydrophobicContact CG-CH2 3.63Å; R171-W218 HydrophobicContact CG-CZ2 4.06Å; R171-W218 HydrophobicContact CG-CZ3 3.48Å; R171-W218 VanDerWaalsContact CG-CZ3 3.48Å; R171-W218 VanDerWaalsContact NH1-NE1 3.19Å; E182-W218 VanDerWaalsContact OE1-CZ2 3.29Å; E182-W218 WeakPolarHBondContact OE1-CZ2 3.46Å; Q205-W218 HydrophobicContact CB-CB 4.26Å; Q205-W218 HydrophobicContact CB-CD2 4.48Å; Q205-W218 HydrophobicContact CB-CE3 3.9Å; R207-W218 HydrophobicContact CB-CD2 4.01Å; R207-W218 HydrophobicContact CB-CE3 3.74Å; R207-W218 HydrophobicContact CB-CZ3 4.01Å; R207-W218 HydrophobicContact CG-CD2 4.13Å; R207-W218 HydrophobicContact CG-CE3 3.82Å; R207-W218 HydrophobicContact CG-CH2 3.69Å; R207-W218 HydrophobicContact CG-CZ2 4.01Å; R207-W218 HydrophobicContact CG-CZ3 3.58Å; R207-W218 VanDerWaalsContact NE-CZ2 3.33Å
219S97.6Very high93.6Very high2 Ų266.8 Ų66.81%0.01433%0.332CS..PPolyproline II helixtrans-57.9163171.171.80000111.7Q205 V206Q205-S219 WeakPolarHBondContact CA-OG 3.2Å; Q205-S219 PolarHBondContact NE2-O 3.03Å; V206-S219 PolarHBondContact N-OG 2.93Å; V206-S219 WeakPolarHBondContact O-CB 3.41Å; V206-S219 PolarHBondContact O-N 3.38Å
220P96.2Very high92.3Very high111 Ų11172.1 Ų72.172%0.72136%0.355SS*.PPolyproline II helixtrans-49.5145160-25.335.5000111.3S222P220-S222 PolarHBondContact O-N 2.8Å
221S94.6Very high90.9Very high54 Ų5473.9 Ų73.938%0.37837%0.367SS..PPolyproline II helixtrans-73.8116.3-179.3-650000111.6E203 Q205E203-S221 VanDerWaalsContact OE1-CB 3.24Å; E203-S221 WeakPolarHBondContact OE1-CB 3.11Å; E203-S221 PolarHBondContact OE1-OG 2.84Å; Q205-S221 VanDerWaalsContact CD-OG 3.23Å; Q205-S221 WeakPolarHBondContact CG-OG 3.24Å; Q205-S221 PolarHBondContact NE2-OG 2.85Å
222S94.9Very high89.4Confident31 Ų3176.2 Ų76.222%0.21738%0.376CS..EExtended strand (participates in β ladder)trans-85.5139.6167.3-169.90000109.5E203 V204 P220E203-S222 WeakPolarHBondContact CA-O 3.34Å; V204-S222 PolarHBondContact N-O 3.04Å; V204-S222 PolarHBondContact O-N 2.85Å; P220-S222 PolarHBondContact O-N 2.8Å
223R94.3Very high88Confident170 Ų17079.2 Ų79.264%0.64239%0.39SS*.EExtended strand (participates in β ladder)trans-121.2136.1179.6-74.3-170.9-66.2173.3-2.5110.9E175 Y202 E203E175-R223 IonicContact OE1-NH1 3.55Å; Y202-R223 WeakPolarHBondContact O-CA 3.32Å; E203-R223 HydrophobicContact CB-CG 4.37Å; E203-R223 HydrophobicContact CG-CG 4.11Å
224V93.5Very high86.8Confident17 Ų1786 Ų8610%0.10340%0.403CS..EExtended strand (participates in β ladder)trans-141133.4-174.264.70000109.7V136 V138 L147 T201 Y202V136-V224 HydrophobicContact CG1-CB 3.93Å; V136-V224 HydrophobicContact CG1-CG1 3.72Å; V136-V224 HydrophobicContact CG1-CG2 4.33Å; V138-V224 HydrophobicContact CG2-CG2 3.6Å; L147-V224 HydrophobicContact CD1-CB 4.48Å; L147-V224 HydrophobicContact CD1-CG1 3.76Å; L147-V224 HydrophobicContact CD1-CG2 4.03Å; L147-V224 HydrophobicContact CD2-CG1 4.26Å; T201-V224 CarbonylContact C-O 3.55Å; T201-V224 WeakPolarHBondContact CA-O 3.26Å; Y202-V224 PolarHBondContact N-O 3.05Å; Y202-V224 PolarHBondContact O-N 2.82Å
225K92.6Very high85.4Confident123 Ų12382.7 Ų82.754%0.53540%0.396SS..EExtended strand (participates in β ladder)trans-95.5125.2169.4-173.6-178.7176.2-1700108.9G199 E228G199-K225 VanDerWaalsContact O-CE 3.25Å; G199-K225 WeakPolarHBondContact O-CE 3.4Å; K225-E228 IonicContact NZ-OE1 2.79Å; K225-E228 PolarHBondContact NZ-OE1 3.12Å
226V91.6Very high84.4Confident0 Ų084 Ų840%041%0.406CS..PPolyproline II helixtrans-76.9134.4171.2-176.60000108.8L196 G199 G200 Y202 Y229L196-V226 HydrophobicContact CB-CG1 4.12Å; L196-V226 HydrophobicContact CB-CG2 4.16Å; L196-V226 HydrophobicContact CD1-CG1 4.03Å; L196-V226 HydrophobicContact CD1-CG2 3.75Å; L196-V226 HydrophobicContact CG-CG2 4.47Å; G199-V226 CarbonylContact C-O 3.6Å; G199-V226 VanDerWaalsContact CA-O 3.27Å; G199-V226 WeakPolarHBondContact CA-O 3.48Å; G199-V226 PolarHBondContact N-O 2.85Å; G200-V226 PolarHBondContact O-N 3.4Å; Y202-V226 HydrophobicContact CD2-CG2 3.74Å; Y202-V226 HydrophobicContact CE2-CG2 3.93Å; V226-Y229 HydrophobicContact CG1-CD1 4.44Å; V226-Y229 HydrophobicContact CG1-CE1 4.05Å
227P87Confident83.6Confident56 Ų5691.9 Ų91.936%0.36444%0.435SS..PPolyproline II helixtrans-54.9162.3174.2-26.735.8000113.3G199 Y229G199-P227 PolarHBondContact N-O 3.5Å; P227-Y229 PolarHBondContact O-N 2.64Å
228E85.3Confident83Confident148 Ų14891.6 Ų91.669%0.69244%0.436SS*.  trans-85.6101.4173.4-75.2166.7-135.800109.2S198 K225S198-E228 WeakPolarHBondContact OG-CA 3.08Å; K225-E228 IonicContact NZ-OE1 2.79Å; K225-E228 PolarHBondContact NZ-OE1 3.12Å
229Y78.9Confident82.5Confident49 Ų4993.4 Ų93.419%0.19245%0.448CS..  trans-113.3153.6173.971.2-78.8000110.6P145 L196 S198 V226 P227 P231P145-Y229 HydrophobicContact CG-CD1 3.4Å; P145-Y229 VanDerWaalsContact CG-CD1 3.4Å; P145-Y229 HydrophobicContact CG-CD2 3.97Å; P145-Y229 HydrophobicContact CG-CE1 3.43Å; P145-Y229 VanDerWaalsContact CG-CE1 3.43Å; P145-Y229 HydrophobicContact CG-CE2 3.99Å; P145-Y229 HydrophobicContact CG-CG 3.67Å; L196-Y229 PolarHBondContact O-OH 3.04Å; S198-Y229 VanDerWaalsContact CA-CE1 3.48Å; S198-Y229 WeakPolarHBondContact CB-O 3.34Å; S198-Y229 PolarHBondContact OG-N 2.94Å; S198-Y229 PolarHBondContact OG-O 2.69Å; V226-Y229 HydrophobicContact CG1-CD1 4.44Å; V226-Y229 HydrophobicContact CG1-CE1 4.05Å; P227-Y229 PolarHBondContact O-N 2.64Å; Y229-P231 WeakPolarHBondContact O-CD 3.43Å
230F70.8Confident82.2Confident193 Ų19397.6 Ų97.685%0.84647%0.47SS*.  trans-85.3115.8175.3-68.9-83.6000109.5Q232F230-Q232 PolarHBondContact O-N 2.93Å
231P64.7Low82.1Confident40 Ų4097 Ų9726%0.2646%0.464SS..  trans-64.6125.2176.6-16.630.4000109Y229 E233 R234 S235Y229-P231 WeakPolarHBondContact O-CD 3.43Å; P231-E233 PolarHBondContact O-N 2.85Å; P231-E233 VanDerWaalsContact O-N 3.08Å; P231-R234 WeakPolarHBondContact O-CB 3.35Å; P231-R234 PolarHBondContact O-N 2.63Å; P231-S235 PolarHBondContact O-N 3.09Å
232Q61.8Low82.2Confident115 Ų11598.4 Ų98.454%0.53747%0.47SS..Hα-helixtrans-57.7-30.1-175-168.5172.73.400112.3W144 F230 R234 S235 M236W144-Q232 HydrophobicContact CZ2-CB 4.46Å; F230-Q232 PolarHBondContact O-N 2.93Å; Q232-R234 VanDerWaalsContact C-N 3.33Å; Q232-R234 PolarHBondContact O-N 2.89Å; Q232-S235 WeakPolarHBondContact O-CA 3.28Å; Q232-S235 WeakPolarHBondContact O-CB 3.44Å; Q232-S235 PolarHBondContact O-N 2.79Å; Q232-S235 VanDerWaalsContact O-N 3.08Å; Q232-M236 WeakPolarHBondContact O-CG 3.26Å; Q232-M236 PolarHBondContact O-N 2.95Å
233E63.1Low82.2Confident151 Ų151103 Ų10371%0.70649%0.486SS*.Hα-helixtrans-51.8-46.7169.7-63.1-174.9173.200112.8P231 S235 M236 W237P231-E233 PolarHBondContact O-N 2.85Å; P231-E233 VanDerWaalsContact O-N 3.08Å; E233-S235 VanDerWaalsContact C-N 3.33Å; E233-S235 PolarHBondContact O-N 2.77Å; E233-M236 PolarHBondContact O-N 3.38Å; E233-W237 PolarHBondContact O-N 2.9Å
234R66.8Low82.2Confident181 Ų18197.1 Ų97.168%0.68348%0.475SS*.Hα-helixtrans-67.1-35.9177.5-75.4-175.3169.7-177.8-5.4111.7P231 Q232 W237 I238P231-R234 WeakPolarHBondContact O-CB 3.35Å; P231-R234 PolarHBondContact O-N 2.63Å; Q232-R234 VanDerWaalsContact C-N 3.33Å; Q232-R234 PolarHBondContact O-N 2.89Å; R234-W237 PolarHBondContact O-N 2.87Å; R234-I238 WeakPolarHBondContact O-CD1 3.49Å; R234-I238 VanDerWaalsContact O-CG1 3.25Å; R234-I238 WeakPolarHBondContact O-CG1 3.26Å; R234-I238 PolarHBondContact O-N 2.86Å
235S68.2Low82.4Confident56 Ų5698.7 Ų98.739%0.39249%0.489SS..Hα-helixtrans-63-43.4173.9-166.30000111.3P231 Q232 E233 W237 I238 L239P231-S235 PolarHBondContact O-N 3.09Å; Q232-S235 WeakPolarHBondContact O-CA 3.28Å; Q232-S235 WeakPolarHBondContact O-CB 3.44Å; Q232-S235 PolarHBondContact O-N 2.79Å; Q232-S235 VanDerWaalsContact O-N 3.08Å; E233-S235 VanDerWaalsContact C-N 3.33Å; E233-S235 PolarHBondContact O-N 2.77Å; S235-W237 PolarHBondContact O-N 2.87Å; S235-I238 PolarHBondContact O-N 3.31Å; S235-L239 WeakPolarHBondContact O-CB 3.36Å; S235-L239 WeakPolarHBondContact O-CG 3.33Å; S235-L239 PolarHBondContact O-N 2.95Å
236M76.6Confident82.6Confident103 Ų10399 Ų9951%0.50749%0.491SS..Hα-helixtrans-60.2-44.6174.7-67.4-66.3-73.500112Q232 E233 L239 I240Q232-M236 WeakPolarHBondContact O-CG 3.26Å; Q232-M236 PolarHBondContact O-N 2.95Å; E233-M236 PolarHBondContact O-N 3.38Å; M236-L239 PolarHBondContact O-N 2.83Å; M236-I240 WeakPolarHBondContact O-CB 3.47Å; M236-I240 WeakPolarHBondContact O-CD1 3.49Å; M236-I240 WeakPolarHBondContact O-CG1 3.41Å; M236-I240 PolarHBondContact O-N 2.81Å
237W81.8Confident82.8Confident171 Ų171104.3 Ų104.365%0.64852%0.518SS*.Hα-helixtrans-63.2-40.6174.8-71.9113.5000112.9E233 R234 S235 I240 V241E233-W237 PolarHBondContact O-N 2.9Å; R234-W237 PolarHBondContact O-N 2.87Å; S235-W237 PolarHBondContact O-N 2.87Å; W237-I240 HydrophobicContact CE3-CD1 4.27Å; W237-I240 PolarHBondContact O-N 2.93Å; W237-V241 WeakPolarHBondContact O-CG2 3.41Å; W237-V241 PolarHBondContact O-N 2.04Å
238I85.8Confident83.2Confident111 Ų111106.8 Ų106.857%0.56953%0.527SS*.Hα-helixtrans-62.6-45.4175.2-69.5163.3000110.5R234 S235 V241 V242R234-I238 WeakPolarHBondContact O-CD1 3.49Å; R234-I238 VanDerWaalsContact O-CG1 3.25Å; R234-I238 WeakPolarHBondContact O-CG1 3.26Å; R234-I238 PolarHBondContact O-N 2.86Å; S235-I238 PolarHBondContact O-N 3.31Å; I238-V241 PolarHBondContact O-N 2.87Å; I238-V242 HydrophobicContact CG2-CG2 4.42Å; I238-V242 WeakPolarHBondContact O-CB 3.23Å; I238-V242 VanDerWaalsContact O-CG2 3.32Å; I238-V242 WeakPolarHBondContact O-CG2 3.37Å; I238-V242 PolarHBondContact O-N 3.34Å
239L86.8Confident83.7Confident79 Ų79104 Ų10441%0.41452%0.521SS..Hα-helixtrans-60.6-45.4175.9-72.4170.2000111.7S235 M236 V241 V242 F243S235-L239 WeakPolarHBondContact O-CB 3.36Å; S235-L239 WeakPolarHBondContact O-CG 3.33Å; S235-L239 PolarHBondContact O-N 2.95Å; M236-L239 PolarHBondContact O-N 2.83Å; L239-V241 VanDerWaalsContact C-N 3.33Å; L239-V241 PolarHBondContact O-N 2.85Å; L239-V242 PolarHBondContact O-N 2.87Å; L239-F243 HydrophobicContact CB-CD2 4.38Å; L239-F243 HydrophobicContact CB-CE2 4.33Å; L239-F243 HydrophobicContact CD2-CE2 4.42Å; L239-F243 WeakPolarHBondContact O-CD2 3.14Å; L239-F243 PolarHBondContact O-N 2.55Å
240I92Very high84.5Confident90 Ų90105.2 Ų105.246%0.46253%0.529SS..Hα-helixtrans-58.1-45176.3-70.9164000110.9M236 W237 F243 A244M236-I240 WeakPolarHBondContact O-CB 3.47Å; M236-I240 WeakPolarHBondContact O-CD1 3.49Å; M236-I240 WeakPolarHBondContact O-CG1 3.41Å; M236-I240 PolarHBondContact O-N 2.81Å; W237-I240 HydrophobicContact CE3-CD1 4.27Å; W237-I240 PolarHBondContact O-N 2.93Å; I240-F243 PolarHBondContact O-N 2.02Å; I240-A244 VanDerWaalsContact O-CB 3.28Å; I240-A244 WeakPolarHBondContact O-CB 3.47Å; I240-A244 PolarHBondContact O-N 2.65Å
241V93.9Very high85.6Confident98 Ų98102.7 Ų102.759%0.59452%0.518SS*.Hα-helixtrans-65.1-41.1177.1170.10000111.7W237 I238 L239 A244 A245W237-V241 WeakPolarHBondContact O-CG2 3.41Å; W237-V241 PolarHBondContact O-N 2.04Å; I238-V241 PolarHBondContact O-N 2.87Å; L239-V241 VanDerWaalsContact C-N 3.33Å; L239-V241 PolarHBondContact O-N 2.85Å; V241-A244 PolarHBondContact O-N 3.47Å; V241-A245 WeakPolarHBondContact O-CB 3.42Å; V241-A245 PolarHBondContact O-N 3.44Å
242V95.3Very high87Confident84 Ų84106.2 Ų106.251%0.50953%0.534SS..Hα-helixtrans-65.6-44.8176.9168.80000111.6I238 L239 A245 F246I238-V242 HydrophobicContact CG2-CG2 4.42Å; I238-V242 WeakPolarHBondContact O-CB 3.23Å; I238-V242 VanDerWaalsContact O-CG2 3.32Å; I238-V242 WeakPolarHBondContact O-CG2 3.37Å; I238-V242 PolarHBondContact O-N 3.34Å; L239-V242 PolarHBondContact O-N 2.87Å; V242-A245 PolarHBondContact O-N 2.88Å; V242-F246 WeakPolarHBondContact O-CB 3.18Å; V242-F246 PolarHBondContact O-N 2.84Å
243F95.1Very high88.5Confident127 Ų127108.7 Ų108.756%0.55754%0.538SS*.Hα-helixtrans-65.2-41.1175.7-76.4-61.1000112L239 I240 F246 I247L239-F243 HydrophobicContact CB-CD2 4.38Å; L239-F243 HydrophobicContact CB-CE2 4.33Å; L239-F243 HydrophobicContact CD2-CE2 4.42Å; L239-F243 WeakPolarHBondContact O-CD2 3.14Å; L239-F243 PolarHBondContact O-N 2.55Å; I240-F243 PolarHBondContact O-N 2.02Å; F243-F246 PolarHBondContact O-N 3.14Å; F243-I247 VanDerWaalsContact O-CG1 3.27Å; F243-I247 WeakPolarHBondContact O-CG1 3.4Å; F243-I247 PolarHBondContact O-N 2.68Å
244A95.8Very high89.8Confident48 Ų48107.7 Ų107.740%0.39754%0.535SS..Hα-helixtrans-61.6-45174.600000111.8I240 V241 F246 I247 L248I240-A244 VanDerWaalsContact O-CB 3.28Å; I240-A244 WeakPolarHBondContact O-CB 3.47Å; I240-A244 PolarHBondContact O-N 2.65Å; V241-A244 PolarHBondContact O-N 3.47Å; A244-F246 VanDerWaalsContact C-N 3.35Å; A244-F246 PolarHBondContact O-N 2.95Å; A244-I247 PolarHBondContact O-N 3.4Å; A244-L248 WeakPolarHBondContact O-CG 3.22Å; A244-L248 PolarHBondContact O-N 3.38Å
245A96.4Very high90.9Very high49 Ų49102.8 Ų102.841%0.40553%0.525SS..Hα-helixtrans-61.8-40.8175.100000112.2V241 V242 L248 V249V241-A245 WeakPolarHBondContact O-CB 3.42Å; V241-A245 PolarHBondContact O-N 3.44Å; V242-A245 PolarHBondContact O-N 2.88Å; A245-L248 PolarHBondContact O-N 3.29Å; A245-V249 WeakPolarHBondContact O-CG2 3.47Å; A245-V249 PolarHBondContact O-N 3.08Å
246F96.3Very high91.8Very high130 Ų130106.3 Ų106.357%0.5753%0.531SS*.Hα-helixtrans-65-42.1176.8-172.3-113.1000112.4V242 F243 A244 V249 I250V242-F246 WeakPolarHBondContact O-CB 3.18Å; V242-F246 PolarHBondContact O-N 2.84Å; F243-F246 PolarHBondContact O-N 3.14Å; A244-F246 VanDerWaalsContact C-N 3.35Å; A244-F246 PolarHBondContact O-N 2.95Å; F246-V249 PolarHBondContact O-N 2.97Å; F246-I250 HydrophobicContact CD1-CD1 3.81Å; F246-I250 HydrophobicContact CE1-CD1 3.51Å; F246-I250 HydrophobicContact CE1-CG1 4.49Å; F246-I250 HydrophobicContact CZ-CD1 3.96Å; F246-I250 WeakPolarHBondContact O-CG1 3.46Å; F246-I250 PolarHBondContact O-N 3.29Å
247I96.3Very high92.2Very high111 Ų111106 Ų10657%0.56953%0.529SS*.Hα-helixtrans-62.3-42.2174.1-69.2163.7000110.9F243 A244 I250 F251F243-I247 VanDerWaalsContact O-CG1 3.27Å; F243-I247 WeakPolarHBondContact O-CG1 3.4Å; F243-I247 PolarHBondContact O-N 2.68Å; A244-I247 PolarHBondContact O-N 3.4Å; I247-I250 PolarHBondContact O-N 2.68Å; I247-F251 WeakPolarHBondContact O-CB 3.39Å; I247-F251 PolarHBondContact O-N 2.68Å
248L96.1Very high92Very high108 Ų108102.7 Ų102.757%0.56552%0.524SS*.Hα-helixtrans-63.4-41.5175.3-71.7170.4000112.2A244 A245 F251 I252A244-L248 WeakPolarHBondContact O-CG 3.22Å; A244-L248 PolarHBondContact O-N 3.38Å; A245-L248 PolarHBondContact O-N 3.29Å; L248-F251 PolarHBondContact O-N 2.73Å; L248-I252 WeakPolarHBondContact O-CB 3.43Å; L248-I252 WeakPolarHBondContact O-CD1 3.38Å; L248-I252 VanDerWaalsContact O-CG1 3.25Å; L248-I252 WeakPolarHBondContact O-CG1 3.42Å; L248-I252 PolarHBondContact O-N 2.84Å
249V95.9Very high91.3Very high91 Ų91103.4 Ų103.455%0.55252%0.524SS*.Hα-helixtrans-63.4-42.1174.8169.20000111.4A245 F246 I252 W253A245-V249 WeakPolarHBondContact O-CG2 3.47Å; A245-V249 PolarHBondContact O-N 3.08Å; F246-V249 PolarHBondContact O-N 2.97Å; V249-I252 PolarHBondContact O-N 2.99Å; V249-W253 WeakPolarHBondContact O-CB 3.44Å; V249-W253 PolarHBondContact O-N 3.02Å
250I95.1Very high90.3Very high73 Ų73103.8 Ų103.837%0.37452%0.523SS..Hα-helixtrans-61.5-44.6173.6-70.8169000110.7F246 I247 W253 M254F246-I250 HydrophobicContact CD1-CD1 3.81Å; F246-I250 HydrophobicContact CE1-CD1 3.51Å; F246-I250 HydrophobicContact CE1-CG1 4.49Å; F246-I250 HydrophobicContact CZ-CD1 3.96Å; F246-I250 WeakPolarHBondContact O-CG1 3.46Å; F246-I250 PolarHBondContact O-N 3.29Å; I247-I250 PolarHBondContact O-N 2.68Å; I250-W253 PolarHBondContact O-N 3.04Å; I250-M254 HydrophobicContact CG2-CG 4.24Å; I250-M254 WeakPolarHBondContact O-CB 3.34Å; I250-M254 VanDerWaalsContact O-CG 3.29Å; I250-M254 WeakPolarHBondContact O-CG 3.3Å; I250-M254 PolarHBondContact O-N 2.85Å
251F94.9Very high89.1Confident141 Ų141102.3 Ų102.362%0.61852%0.521SS*.Hα-helixtrans-63.3-45.1179.6-169.6-94000111.9I247 L248 W253 M254 V255I247-F251 WeakPolarHBondContact O-CB 3.39Å; I247-F251 PolarHBondContact O-N 2.68Å; L248-F251 PolarHBondContact O-N 2.73Å; F251-W253 VanDerWaalsContact C-N 3.34Å; F251-W253 PolarHBondContact O-N 2.86Å; F251-M254 PolarHBondContact O-N 2.8Å; F251-V255 HydrophobicContact CD1-CG2 4.15Å; F251-V255 HydrophobicContact CE1-CG2 3.86Å; F251-V255 HydrophobicContact CZ-CG2 4.28Å; F251-V255 WeakPolarHBondContact O-CG2 3.36Å; F251-V255 PolarHBondContact O-N 2.96Å
252I93.8Very high87.5Confident113 Ų113100.5 Ų100.558%0.57951%0.51SS*.Hα-helixtrans-61.2-42.2174.8-68.3164.1000110.8L248 V249 V255 Y256L248-I252 WeakPolarHBondContact O-CB 3.43Å; L248-I252 WeakPolarHBondContact O-CD1 3.38Å; L248-I252 VanDerWaalsContact O-CG1 3.25Å; L248-I252 WeakPolarHBondContact O-CG1 3.42Å; L248-I252 PolarHBondContact O-N 2.84Å; V249-I252 PolarHBondContact O-N 2.99Å; I252-V255 PolarHBondContact O-N 2.93Å; I252-Y256 VanDerWaalsContact O-CB 3.31Å; I252-Y256 WeakPolarHBondContact O-CB 3.49Å; I252-Y256 PolarHBondContact O-N 3.37Å
253W92.6Very high85.8Confident168 Ų168102 Ų10264%0.63651%0.509SS*.Hα-helixtrans-66.3-42.4177.5-175.420.6000112.1V249 I250 F251 Y256 M257V249-W253 WeakPolarHBondContact O-CB 3.44Å; V249-W253 PolarHBondContact O-N 3.02Å; I250-W253 PolarHBondContact O-N 3.04Å; F251-W253 VanDerWaalsContact C-N 3.34Å; F251-W253 PolarHBondContact O-N 2.86Å; W253-Y256 PolarHBondContact O-N 2.66Å; W253-M257 VanDerWaalsContact CD1-CG 3.46Å; W253-M257 HydrophobicContact CG-CG 4.49Å; W253-M257 WeakPolarHBondContact O-CB 3.28Å; W253-M257 VanDerWaalsContact O-CG 3.31Å; W253-M257 WeakPolarHBondContact O-CG 3.34Å; W253-M257 PolarHBondContact O-N 2.81Å
254M90.3Very high84.1Confident129 Ų129106.1 Ų106.164%0.63552%0.521SS*.Hα-helixtrans-60.3-45.2173.9-74.7-67.9-71.400111.6I250 F251 N258I250-M254 HydrophobicContact CG2-CG 4.24Å; I250-M254 WeakPolarHBondContact O-CB 3.34Å; I250-M254 VanDerWaalsContact O-CG 3.29Å; I250-M254 WeakPolarHBondContact O-CG 3.3Å; I250-M254 PolarHBondContact O-N 2.85Å; F251-M254 PolarHBondContact O-N 2.8Å; M254-N258 WeakPolarHBondContact O-CB 3.44Å; M254-N258 PolarHBondContact O-N 3.38Å
255V90.1Very high82.3Confident79 Ų79113.7 Ų113.748%0.47954%0.541SS..Hα-helixtrans-63.6-41.7174.9171.40000111.2F251 I252 N258 F259F251-V255 HydrophobicContact CD1-CG2 4.15Å; F251-V255 HydrophobicContact CE1-CG2 3.86Å; F251-V255 HydrophobicContact CZ-CG2 4.28Å; F251-V255 WeakPolarHBondContact O-CG2 3.36Å; F251-V255 PolarHBondContact O-N 2.96Å; I252-V255 PolarHBondContact O-N 2.93Å; V255-N258 PolarHBondContact O-N 2.74Å; V255-F259 WeakPolarHBondContact O-CB 3.41Å; V255-F259 PolarHBondContact O-N 3.24Å
256Y87.4Confident80.5Confident130 Ų130117.5 Ų117.551%0.5155%0.554SS.*Hα-helixtrans-64.1-46.4177.4176.3-98.9000112.7I252 W253 F259 H260I252-Y256 VanDerWaalsContact O-CB 3.31Å; I252-Y256 WeakPolarHBondContact O-CB 3.49Å; I252-Y256 PolarHBondContact O-N 3.37Å; W253-Y256 PolarHBondContact O-N 2.66Å; Y256-F259 PolarHBondContact O-N 3.34Å; Y256-H260 AromaticContact CD2-CD2 3.97Å; Y256-H260 AromaticContact CE2-CD2 3.48Å; Y256-H260 VanDerWaalsContact CE2-CD2 3.48Å; Y256-H260 WeakPolarHBondContact CE2-CD2 3.46Å; Y256-H260 AromaticContact CE2-NE2 3.45Å; Y256-H260 WeakPolarHBondContact CE2-NE2 3.23Å; Y256-H260 AromaticContact CZ-CD2 3.5Å; Y256-H260 VanDerWaalsContact CZ-CD2 3.5Å; Y256-H260 AromaticContact CZ-NE2 3.44Å; Y256-H260 WeakPolarHBondContact O-CB 3.41Å; Y256-H260 PolarHBondContact O-N 2.84Å; Y256-H260 PolarHBondContact OH-NE2 2.89Å
257M83.7Confident78.7Confident96 Ų96116.7 Ų116.747%0.47356%0.555SS.*Hα-helixtrans-67.4-38.6177.7-68.9-62.2-68.300111.9W253 S261W253-M257 VanDerWaalsContact CD1-CG 3.46Å; W253-M257 HydrophobicContact CG-CG 4.49Å; W253-M257 WeakPolarHBondContact O-CB 3.28Å; W253-M257 VanDerWaalsContact O-CG 3.31Å; W253-M257 WeakPolarHBondContact O-CG 3.34Å; W253-M257 PolarHBondContact O-N 2.81Å; M257-S261 WeakPolarHBondContact O-CB 3.46Å; M257-S261 PolarHBondContact O-N 2.85Å; M257-S261 PolarHBondContact O-OG 3.04Å
258N77.8Confident76.3Confident101 Ų101115.8 Ų115.854%0.5456%0.556SS.*Hα-helixtrans-67.1-44.6173.9-163.812.7000110.5M254 V255 H260 S261 V262M254-N258 WeakPolarHBondContact O-CB 3.44Å; M254-N258 PolarHBondContact O-N 3.38Å; V255-N258 PolarHBondContact O-N 2.74Å; N258-H260 PolarHBondContact O-N 3.45Å; N258-S261 CarbonylContact O-C 3.54Å; N258-S261 WeakPolarHBondContact O-CB 3.08Å; N258-S261 PolarHBondContact O-N 2.99Å; N258-S261 VanDerWaalsContact O-N 3.12Å; N258-V262 WeakPolarHBondContact O-CB 3.3Å; N258-V262 VanDerWaalsContact O-CG2 3.31Å; N258-V262 WeakPolarHBondContact O-CG2 3.44Å; N258-V262 PolarHBondContact O-N 3.34Å
259F72.6Confident74.3Confident127 Ų127116.6 Ų116.656%0.55757%0.568SS**Hα-helixtrans-60.4-42175.5-178.6-104.2000112.5V255 Y256 S261 K263V255-F259 WeakPolarHBondContact O-CB 3.41Å; V255-F259 PolarHBondContact O-N 3.24Å; Y256-F259 PolarHBondContact O-N 3.34Å; F259-S261 VanDerWaalsContact C-N 3.35Å; F259-K263 WeakPolarHBondContact O-CB 3.29Å; F259-K263 PolarHBondContact O-N 3.12Å
260H65.4Low72.4Confident87 Ų87117.9 Ų117.940%0.40358%0.576SS.*Hα-helixtrans-66.5-34.3173.9-96.1-98000113.2Y256 N258 R264Y256-H260 AromaticContact CD2-CD2 3.97Å; Y256-H260 AromaticContact CE2-CD2 3.48Å; Y256-H260 VanDerWaalsContact CE2-CD2 3.48Å; Y256-H260 WeakPolarHBondContact CE2-CD2 3.46Å; Y256-H260 AromaticContact CE2-NE2 3.45Å; Y256-H260 WeakPolarHBondContact CE2-NE2 3.23Å; Y256-H260 AromaticContact CZ-CD2 3.5Å; Y256-H260 VanDerWaalsContact CZ-CD2 3.5Å; Y256-H260 AromaticContact CZ-NE2 3.44Å; Y256-H260 WeakPolarHBondContact O-CB 3.41Å; Y256-H260 PolarHBondContact O-N 2.84Å; Y256-H260 PolarHBondContact OH-NE2 2.89Å; N258-H260 PolarHBondContact O-N 3.45Å; H260-R264 PolarHBondContact O-N 3.11Å
261S66Low70.1Confident59 Ų59120 Ų12041%0.41359%0.594SS.*Hα-helixtrans-70.2-50.1174.2-59.90000111.6M257 N258 F259 K263 R264 Y265M257-S261 WeakPolarHBondContact O-CB 3.46Å; M257-S261 PolarHBondContact O-N 2.85Å; M257-S261 PolarHBondContact O-OG 3.04Å; N258-S261 CarbonylContact O-C 3.54Å; N258-S261 WeakPolarHBondContact O-CB 3.08Å; N258-S261 PolarHBondContact O-N 2.99Å; N258-S261 VanDerWaalsContact O-N 3.12Å; F259-S261 VanDerWaalsContact C-N 3.35Å; S261-K263 VanDerWaalsContact C-N 3.27Å; S261-K263 PolarHBondContact O-N 3.17Å; S261-R264 WeakPolarHBondContact O-CA 3.4Å; S261-R264 VanDerWaalsContact O-CB 3.3Å; S261-R264 WeakPolarHBondContact O-CB 3.4Å; S261-R264 PolarHBondContact O-N 3.41Å; S261-Y265 WeakPolarHBondContact O-CD2 3.33Å; S261-Y265 PolarHBondContact O-N 3Å
262V60.8Low68.1Low60 Ų60116.1 Ų116.136%0.36459%0.594SS.*Hα-helixtrans-58.6-39.1175171.50000110.6N258 R264 Y265 L266N258-V262 WeakPolarHBondContact O-CB 3.3Å; N258-V262 VanDerWaalsContact O-CG2 3.31Å; N258-V262 WeakPolarHBondContact O-CG2 3.44Å; N258-V262 PolarHBondContact O-N 3.34Å; V262-R264 PolarHBondContact O-N 3.04Å; V262-Y265 PolarHBondContact O-N 2.92Å; V262-L266 HydrophobicContact CG1-CB 4.25Å; V262-L266 HydrophobicContact CG1-CD1 3.74Å; V262-L266 WeakPolarHBondContact O-CB 3.42Å; V262-L266 PolarHBondContact O-N 3.42Å
263K59.6Low65.8Low115 Ų115115.7 Ų115.750%0.560%0.599SS.*Hα-helixtrans-62.4-20.6174.4-173.2170.1-178.8173.90113.9F259 S261F259-K263 WeakPolarHBondContact O-CB 3.29Å; F259-K263 PolarHBondContact O-N 3.12Å; S261-K263 VanDerWaalsContact C-N 3.27Å; S261-K263 PolarHBondContact O-N 3.17Å
264R58.5Low63.8Low213 Ų213117.6 Ų117.680%0.80461%0.612SS**Hα-helixtrans-80.2-25.5169.6-68.1-79.3-167.2151.83113.3H260 S261 V262H260-R264 PolarHBondContact O-N 3.11Å; S261-R264 WeakPolarHBondContact O-CA 3.4Å; S261-R264 VanDerWaalsContact O-CB 3.3Å; S261-R264 WeakPolarHBondContact O-CB 3.4Å; S261-R264 PolarHBondContact O-N 3.41Å; V262-R264 PolarHBondContact O-N 3.04Å
265Y58.8Low62Low207 Ų207116.8 Ų116.881%0.81261%0.608SS**Hα-helixtrans-94.1-37.9-179.2-76.7-73.8000113.4S261 V262S261-Y265 WeakPolarHBondContact O-CD2 3.33Å; S261-Y265 PolarHBondContact O-N 3Å; V262-Y265 PolarHBondContact O-N 2.92Å
266L57.4Low60Low130 Ų130123.3 Ų123.368%0.68163%0.631SS**SBendtrans-86.3-15.3-173.1-138153.8000112.8V262V262-L266 HydrophobicContact CG1-CB 4.25Å; V262-L266 HydrophobicContact CG1-CD1 3.74Å; V262-L266 WeakPolarHBondContact O-CB 3.42Å; V262-L266 PolarHBondContact O-N 3.42Å
267L59.3Low58.3Low113 Ų113120.7 Ų120.759%0.59264%0.643SS**SBendtrans-131.689.7173.7-70.5174.3000110.3
268P46.6Very low56.8Low92 Ų92121.2 Ų121.260%0.59765%0.646SS**  trans-59.7155.3164.327.8-34.9000110.1V270P268-V270 PolarHBondContact O-N 3.14Å
269P53.6Low55.6Low124 Ų124120.5 Ų120.581%0.80564%0.643SS**  trans-63.4103.5178.226.5-33.9000110P271P269-P271 WeakPolarHBondContact O-CD 3.32Å
270V55.9Low54.7Low119 Ų119123.1 Ų123.172%0.72165%0.654SS**PPolyproline II helixtrans-55.1120.7-176.9179.80000109.5P268 G272P268-V270 PolarHBondContact O-N 3.14Å; V270-G272 PolarHBondContact O-N 2.94Å; V270-G272 VanDerWaalsContact O-N 3.08Å
271P47.7Very low54.2Low116 Ų116125.5 Ų125.575%0.75367%0.665SS**PPolyproline II helixtrans-59117.1177-24.935000110.1P269P269-P271 WeakPolarHBondContact O-CD 3.32Å
272G51.5Low53.5Low60 Ų60130.1 Ų130.162%0.61968%0.678SS**PPolyproline II helixtrans-54.3127.2-17500000111.4V270 K274V270-G272 PolarHBondContact O-N 2.94Å; V270-G272 VanDerWaalsContact O-N 3.08Å; G272-K274 PolarHBondContact O-N 3.44Å; G272-K274 VanDerWaalsContact O-N 3.15Å
273P46.7Very low53.1Low105 Ų105134 Ų13468%0.68270%0.696SS**PPolyproline II helixtrans-66.3118.7-168.526.3-35.2000110.5I275P273-I275 HydrophobicContact CB-CD1 4.48Å; P273-I275 HydrophobicContact CB-CG1 4.05Å; P273-I275 PolarHBondContact O-N 2.77Å
274K49.2Very low52.8Low208 Ų208137.4 Ų137.490%0.90471%0.711SS**  trans-76.260.4175.9-71.5-176.1177.21760111.2G272 K276G272-K274 PolarHBondContact O-N 3.44Å; G272-K274 VanDerWaalsContact O-N 3.15Å; K274-K276 PolarHBondContact O-N 3.01Å
275I52.6Low52.4Low111 Ų111130.8 Ų130.857%0.56970%0.697SS**  trans-69.597.2172.3-46.4-179.2000108P273 G277 I278P273-I275 HydrophobicContact CB-CD1 4.48Å; P273-I275 HydrophobicContact CB-CG1 4.05Å; P273-I275 PolarHBondContact O-N 2.77Å; I275-G277 VanDerWaalsContact C-N 3.3Å; I275-G277 PolarHBondContact O-N 3.14Å; I275-I278 HydrophobicContact CD1-CD1 4.39Å; I275-I278 HydrophobicContact CG2-CD1 4.05Å; I275-I278 HydrophobicContact CG2-CG1 4.18Å
276K49.1Very low52.3Low217 Ų217124.9 Ų124.994%0.94370%0.699SS**THydrogen-bonded Turntrans-78.676.6-176.4-166.7-174.9-177.3-172.20110.2K274K274-K276 PolarHBondContact O-N 3.01Å
277G51.3Low51.8Low74 Ų74126.2 Ų126.276%0.76370%0.699SS**THydrogen-bonded Turntrans171-16.2177.200000117.1I275I275-G277 VanDerWaalsContact C-N 3.3Å; I275-G277 PolarHBondContact O-N 3.14Å
278I52.9Low51.6Low108 Ų108125.2 Ų125.255%0.55470%0.702SS**  trans-94.8104.6179.6-58177.3000109.5I275 L283I275-I278 HydrophobicContact CD1-CD1 4.39Å; I275-I278 HydrophobicContact CG2-CD1 4.05Å; I275-I278 HydrophobicContact CG2-CG1 4.18Å; I278-L283 HydrophobicContact CG2-CD1 3.96Å
279D51.4Low51.7Low86 Ų86125.6 Ų125.646%0.4670%0.696SS.*  trans-75.1131.8174.6-176.79.9000111.2Q281 F282D279-Q281 PolarHBondContact O-N 3.03Å; D279-Q281 WeakPolarHBondContact OD1-CG 3.39Å; D279-Q281 PolarHBondContact OD1-N 2.79Å; D279-Q281 VanDerWaalsContact OD1-N 3.12Å; D279-Q281 WeakPolarHBondContact OD2-CB 3.39Å; D279-Q281 WeakPolarHBondContact OD2-CG 3.3Å; D279-F282 HydrophobicContact CB-CD2 4.3Å; D279-F282 PolarHBondContact O-N 3.44Å
280K54.6Low51.6Low181 Ų181125.3 Ų125.379%0.78769%0.688SS**THydrogen-bonded Turntrans-70-13.9179.7-67.3-175.7176.9-177.60113.3
281Q54.8Low51.5Low138 Ų138125.4 Ų125.465%0.64568%0.683SS**THydrogen-bonded Turntrans-63.6-47.2173-60.3-67.9-10.400111.3D279 L283 K284 S285D279-Q281 PolarHBondContact O-N 3.03Å; D279-Q281 WeakPolarHBondContact OD1-CG 3.39Å; D279-Q281 PolarHBondContact OD1-N 2.79Å; D279-Q281 VanDerWaalsContact OD1-N 3.12Å; D279-Q281 WeakPolarHBondContact OD2-CB 3.39Å; D279-Q281 WeakPolarHBondContact OD2-CG 3.3Å; Q281-L283 PolarHBondContact O-N 2.95Å; Q281-K284 WeakPolarHBondContact O-CB 3.45Å; Q281-K284 PolarHBondContact O-N 3.45Å; Q281-S285 PolarHBondContact O-N 3.37Å
282F50.2Low51.5Low156 Ų156128 Ų12868%0.68468%0.682SS**G310 helixtrans-68.9-31.9-176.3-75.2-83.3000113.5D279 K284 S285D279-F282 HydrophobicContact CB-CD2 4.3Å; D279-F282 PolarHBondContact O-N 3.44Å; F282-K284 PolarHBondContact O-N 2.9Å; F282-S285 PolarHBondContact O-N 3.49Å; F282-S285 PolarHBondContact O-OG 3.24Å
283L53.5Low51.3Low140 Ų140130 Ų13073%0.73369%0.687SS**G310 helixtrans-71.1-2.8171.4-72.8171.7000113.8I278 Q281I278-L283 HydrophobicContact CG2-CD1 3.96Å; Q281-L283 PolarHBondContact O-N 2.95Å
284K52.7Low51.4Low187 Ų187129.8 Ų129.881%0.81369%0.688SS**G310 helixtrans-109.4-11176.7-156.5177.9178.9-173.50113.4Q281 F282Q281-K284 WeakPolarHBondContact O-CB 3.45Å; Q281-K284 PolarHBondContact O-N 3.45Å; F282-K284 PolarHBondContact O-N 2.9Å
285S50.8Low51.4Low74 Ų74126.4 Ų126.452%0.51768%0.679SS.*SBendtrans-104.2105.517254.20000109.9Q281 F282 K287Q281-S285 PolarHBondContact O-N 3.37Å; F282-S285 PolarHBondContact O-N 3.49Å; F282-S285 PolarHBondContact O-OG 3.24Å; S285-K287 PolarHBondContact O-N 2.82Å
286G55.8Low50.8Low83 Ų83127.4 Ų127.486%0.85669%0.69SS**  trans-72.9123.9-17100000115
287K48.1Very low50.4Low158 Ų158123.5 Ų123.569%0.68768%0.684SS**  trans-157.3136.9146.2-103173.6166.7-83.80106.3S285 E289S285-K287 PolarHBondContact O-N 2.82Å; K287-E289 IonicContact NZ-OE1 2.69Å; K287-E289 PolarHBondContact NZ-OE1 3.5Å
288S54.1Low49.6Very low93 Ų93125 Ų12565%0.6568%0.683SS**  trans-121-3.1-168.352.60000114.1
289E49.8Very low48.7Very low99 Ų99127.4 Ų127.446%0.46370%0.697SS.*SBendtrans-72.5-32.3-174.346.8-94.3-126.100114.6K287K287-E289 IonicContact NZ-OE1 2.69Å; K287-E289 PolarHBondContact NZ-OE1 3.5Å
290D50.8Low47.6Very low119 Ų119133 Ų13364%0.63672%0.718SS**SBendtrans-89.6-7.1-168.6-65-52.4000115.8F292 S293D290-F292 VanDerWaalsContact C-N 3.31Å; D290-F292 PolarHBondContact O-N 2.97Å; D290-S293 PolarHBondContact O-N 3.42Å
291I53.8Low47.7Very low121 Ų121129.5 Ų129.562%0.62171%0.713SS**G310 helixtrans-68.2-31.1-172.7-63.6177.7000112.2S293 S294I291-S293 VanDerWaalsContact C-N 3.31Å; I291-S293 PolarHBondContact O-N 3.41Å; I291-S294 PolarHBondContact O-OG 2.78Å
292F48.8Very low47.5Very low169 Ų169128.4 Ų128.474%0.74172%0.718SS**G310 helixtrans-75.4-16.1-179.6-70.1-81.5000113.9D290 S294D290-F292 VanDerWaalsContact C-N 3.31Å; D290-F292 PolarHBondContact O-N 2.97Å; F292-S294 PolarHBondContact O-N 2.79Å; F292-S294 VanDerWaalsContact O-N 3.14Å
293S46.8Very low46.6Very low103 Ų103126.7 Ų126.772%0.7272%0.721SS**G310 helixtrans-79.39.7-175-53.30000114.8D290 I291D290-S293 PolarHBondContact O-N 3.42Å; I291-S293 VanDerWaalsContact C-N 3.31Å; I291-S293 PolarHBondContact O-N 3.41Å
294S48.4Very low45.7Very low101 Ų101126.4 Ų126.471%0.70673%0.725SS**G310 helixtrans-115.50.5-178.363.90000114.5I291 F292I291-S294 PolarHBondContact O-OG 2.78Å; F292-S294 PolarHBondContact O-N 2.79Å; F292-S294 VanDerWaalsContact O-N 3.14Å
295L48.3Very low44.8Very low136 Ų136122.7 Ų122.771%0.71272%0.723SS**SBendtrans-115115.9177.9-72.3167.1000109.6
296V41.6Very low44Very low133 Ų133125.5 Ų125.581%0.80673%0.732SS**  trans65.786.5179.9-166.40000112.7
297V40.7Very low43.1Very low135 Ų135130.5 Ų130.582%0.81873%0.726SS**  64.1106.172-175.70000113.2
298S34.7Very low42.7Very low104 Ų104129.2 Ų129.273%0.72772%0.722SS**  trans-105.8134.5161.3-57.70000109.4
299D32.5Very low42Very low159 Ų159131.8 Ų131.885%0.8573%0.729SS**  172.5158.8128.8-86.4-15.9000111.1
300F28Very low41.6Very low205 Ų205135.4 Ų135.490%0.89974%0.743SS**  trans-113.6149.4-161.7-106.7-110.1000114.8
301P58.4Low41.2Very low106 Ų106138.1 Ų138.169%0.68876%0.757SS**  trans-90.4171.3165.538.7-36.2000112.4
302P50.8Low40.8Very low115 Ų115137.3 Ų137.375%0.74776%0.757SS**  -153.9172.2123.635-15.6000118.2
303T30.9Very low40.1Very low121 Ų121137.5 Ų137.574%0.74276%0.76SS**  trans102.1138.9139.59.70000123.8
304T35.1Very low39.7Very low133 Ų133142.3 Ų142.382%0.81676%0.764SS**  trans70.3135.9174.867.10000115.7
305S33.4Very low39.5Very low110 Ų110144.9 Ų144.977%0.76977%0.769SS**  cis-174.6156.8-3.641.50000109.3
306N34.1Very low38.6Very low132 Ų132147.4 Ų147.471%0.70678%0.778SS**  cis-177.4151.6-12.3171.491.2000108.2
307Y37.1Very low38.7Very low189 Ų189146.1 Ų146.174%0.74177%0.77SS**  trans69.2130.9175-89.5-150.8000117.6
308E38.7Very low38.1Very low131 Ų131149.9 Ų149.961%0.61277%0.771SS**  cis-135.7-137.6-30.5-73.9-63.5-131.500105.6
309D40.4Very low38.5Very low146 Ų146149.9 Ų149.978%0.78177%0.766SS**  cis-157.9173.1-0.7-155-9.1000110.7
310F40.7Very low38.9Very low176 Ų176147.7 Ų147.777%0.77276%0.761SS**  trans-104.8133-171.7-69.6-104.2000113.8
311L42.6Very low39.6Very low176 Ų176146.3 Ų146.392%0.92176%0.757SS**  -167.6161.5122.8-105158000111.7
312V45.8Very low38.9Very low103 Ų103147.9 Ų147.962%0.62476%0.755SS**  trans-119.9136.5-163.5-1790000110.7
313Q32.8Very low38.3Very low173 Ų173150.6 Ų150.681%0.80875%0.751SS**  trans-149.3164.2152.5-146.864.258.100110.8
314Y37.9Very low38.4Very low204 Ų204151.5 Ų151.580%0.875%0.746SS**  trans-91.4165.3-150.5-81.7-107.7000116.6
315L45.1Very low38.1Very low155 Ų155152.8 Ų152.881%0.81275%0.747SS**  trans-57.8137.6164178.887.1000112.6V317L315-V317 HydrophobicContact CD1-CG2 4.29Å
316E30.2Very low38.1Very low190 Ų190154.4 Ų154.489%0.88875%0.746SS**  trans-145.7158.1142.8-163.3153.7-130.800109.9
317V42.7Very low38Very low106 Ų106156.6 Ų156.664%0.64275%0.754SS**  trans-123.5137-173.1175.70000109.9L315L315-V317 HydrophobicContact CD1-CG2 4.29Å
318Y27.4Very low37.9Very low213 Ų213154.9 Ų154.984%0.83576%0.758SS**  trans-147.1155.7165.1-146.1-97000112.7
319V44Very low37.5Very low105 Ų105155.5 Ų155.564%0.63676%0.761SS**  trans-141.5133.7-177.4-177.90000109.1
320P40.2Very low37.1Very low113 Ų113151.6 Ų151.673%0.73475%0.754SS**  trans-143.2161.6142.536.8-21.7000115.1
321E43.7Very low36.8Very low175 Ų175151 Ų15182%0.81875%0.752SS**  trans-141166.2171.9-64.6-17888.600107.4
322E44.3Very low36.1Very low140 Ų140149.5 Ų149.565%0.65474%0.744SS**  cis-114.9-1227.1-55.5153.899.500109.5
323R37.1Very low35.4Very low172 Ų172150.6 Ų150.665%0.64975%0.746SS**  cis-155.7155.8-5-156.3162.3-109-93.2-3.2111.7
324E33.2Very low35.2Very low140 Ų140150.6 Ų150.665%0.65475%0.746SS**  trans16.8127.2158.3-68.7164.4-117.100122.4
325L29.5Very low34.7Very low160 Ų160147.8 Ų147.884%0.83875%0.745SS**  -164.4156.5107.5-104.2172.6000115.2
326I32.8Very low33.9Very low144 Ų144146.8 Ų146.874%0.73874%0.74SS**  trans-47.3154.1166.6-73.5160.6000113.4
327M31.3Very low33.9Very low177 Ų177141.7 Ų141.787%0.87273%0.726SS**  cis-171.8-176-7.5177.6173.975.200110.1
328D35.4Very low33.2Very low153 Ų153146 Ų14682%0.81874%0.736SS**  trans-66.7165.7-171.1-151.38.1000119.5
329E30.5Very low33.1Very low145 Ų145144.9 Ų144.968%0.67874%0.736SS**  trans-146.3143.6166.7-176.2-172-12200109.5K331E329-K331 IonicContact OE1-NZ 2.66Å; E329-K331 PolarHBondContact OE1-NZ 2.9Å; E329-K331 IonicContact OE2-NZ 2.65Å; E329-K331 PolarHBondContact OE2-NZ 3.4Å
330G33.1Very low32.3Very low63 Ų63145.1 Ų145.165%0.64974%0.737SS**  cis129.3-169.96.600000112.5
331K32.6Very low31.7Very low164 Ų164147.6 Ų147.671%0.71374%0.739SS**  trans63.8154.2-170.2-59.6-176.7-177.764.90115.3E329E329-K331 IonicContact OE1-NZ 2.66Å; E329-K331 PolarHBondContact OE1-NZ 2.9Å; E329-K331 IonicContact OE2-NZ 2.65Å; E329-K331 PolarHBondContact OE2-NZ 3.4Å
332D28.2Very low31Very low144 Ų144146.5 Ų146.577%0.7774%0.739SS**  cis-166.9172.8-33.6-161.9-0.5000109.1
333L31.8Very low30.4Very low127 Ų127145.3 Ų145.367%0.66575%0.746SS**  trans85.3113.4163.8-54.4176.5000122
334Q29.2Very low30.5Very low173 Ų173143 Ų14381%0.80875%0.751SS**  trans62.8148.7135-64.4177.7-1900120.2
335D26.7Very low30.5Very low144 Ų144141.4 Ų141.477%0.7775%0.754SS**  cis-152.216811.8-154.36.6000115
336D28.9Very low30.7Very low134 Ų134140.3 Ų140.372%0.71775%0.75SS**  trans65.8115.9151-144.518.3000126.1
337S29.2Very low31.2Very low83 Ų83140.5 Ų140.558%0.5875%0.752SS**  trans83.8131.3142.290.50000125
338F27.4Very low32Very low196 Ų196139 Ų13986%0.8675%0.748SS**  trans69.2108.1149.1-69.2-60.6000124.1
339K26.6Very low32.6Very low191 Ų191137.1 Ų137.183%0.8375%0.746SS**  101.5119.8120.8-123.6-175.7-175.2-177.70121.3
340T26.3Very low33Very low109 Ų109133.5 Ų133.567%0.66975%0.748SS**  trans104.9119.5140.1-31.10000119.3
341E27.3Very low33.4Very low166 Ų166142.9 Ų142.978%0.77676%0.763SS**  trans63.2117.2153.7-72175.2146.800124.1
342N29.4Very low33.5Very low151 Ų151138.8 Ų138.881%0.80777%0.768SS**  trans72.170.2134.6-63.4-7000122.3
343S32.5Very low33.9Very low115 Ų115137.2 Ų137.280%0.80477%0.768SS**  trans-164.9167.1132.9640000108.2
344T38.1Very low34.2Very low124 Ų124136 Ų13676%0.76177%0.769SS**  cis-148.8-142.13.1-30.70000108.9
345C33.8Very low34.5Very low106 Ų106134.4 Ų134.472%0.71677%0.766SS**  trans114.2138.1157.2-55.30000115.4
346D33.3Very low34.9Very low138 Ų138131.9 Ų131.974%0.73876%0.76SS**  cis-153.5177-2.9-127.8-37.1000115.3
347N43.2Very low35.1Very low148 Ų148132.6 Ų132.679%0.79176%0.758SS**  trans-92.2169.6-177.2-57-93.1000113.8
348D47.8Very low35.4Very low146 Ų146133.6 Ų133.678%0.78176%0.761SS**  -170.7151.5110.6-150.3-25.8000112.9
349S48.7Very low35.7Very low113 Ų113131.1 Ų131.179%0.7976%0.756SS**  trans61.4141.7153.4-70.80000121.2
350G38.3Very low35.9Very low68 Ų68128.7 Ų128.770%0.70175%0.751SS**  cis159.7148.5-900000114.5
351R41.2Very low36.6Very low260 Ų260129.5 Ų129.598%0.98176%0.756SS**  trans71.4130.3168.3-59.3175.3162.2-125.8-4.1120.4
352G35Very low36.5Very low78 Ų78129.5 Ų129.580%0.80476%0.762SS**  134.194.9128.600000120.2
353S36.8Very low36.6Very low111 Ų111131.7 Ų131.778%0.77676%0.764SS**  trans21.1123.6144.5-152.70000119.5
354C37.6Very low36.4Very low102 Ų102130 Ų13069%0.68977%0.765SS**  52.1139.867.6-60.10000114.7
355D36.8Very low35.7Very low140 Ų140128 Ų12875%0.74977%0.769SS**  cis-179.4168.8-15.7-103.2-48.4000107.3
356S35Very low35.4Very low91 Ų91126.4 Ų126.464%0.63677%0.771SS**  cis-155.3-137.7-17.638.20000106.8
357H33.6Very low35.3Very low148 Ų148126.9 Ų126.969%0.68577%0.773SS**  cis-168.7134.4-0.9-154.9-109000110.9
358T34.7Very low35Very low105 Ų105127.1 Ų127.164%0.64477%0.767SS**  trans58.9176.3153.351.90000120
359L32.8Very low34.4Very low144 Ų144127 Ų12775%0.75476%0.761SS**  cis-155.4175.6-16.2-115.8165000111.5
360L32.7Very low33.5Very low139 Ų139129.1 Ų129.173%0.72876%0.764SS**  trans-10.9138.6167.1-73.3167.1000123.4
361T39.9Very low33Very low126 Ų126129.1 Ų129.177%0.77376%0.764SS**  trans37.7128.6139.162.60000122.6
362D25.4Very low32.3Very low166 Ų166125.5 Ų125.589%0.88876%0.759SS**  trans-138.6170.3150.9-168.924.3000111.7
363K31.5Very low32.1Very low198 Ų198130.3 Ų130.386%0.86176%0.76SS**  trans-127.160.7-154.7-168.6-162.3168.7-175.20114.1
364G27.3Very low31.7Very low80 Ų80129.1 Ų129.183%0.82575%0.752SS**  trans74.7140.7153.900000118.7
365G25.2Very low31.3Very low81 Ų81130.8 Ų130.884%0.83575%0.754SS**  trans168.18717100000115.9
366G26.3Very low30.8Very low73 Ų73131.4 Ų131.475%0.75375%0.752SS**  trans71.6170.9161.700000117.8
367D32.5Very low30.4Very low147 Ų147135.1 Ų135.179%0.78676%0.759SS**  cis-164.9156.2-19.5-135.1-9.1000110.9
368K36.8Very low30.1Very low154 Ų154131.5 Ų131.567%0.6776%0.762SS**  trans63.3160.7167.2-66157.4162.4-80.80116.7
369E33.3Very low29.6Very low142 Ų142131.4 Ų131.466%0.66477%0.766SS**  cis-149.1161.4-12.1-115.3146-169.600105.3
370D29.8Very low29.2Very low158 Ų158133.4 Ų133.485%0.84577%0.772SS**  cis-133.3176.922-79.5-58.4000112.3
371G28.5Very low28.8Very low68 Ų68130.7 Ų130.770%0.70177%0.769SS**  trans-166.6163.5166.300000115.2
372Q27.8Very low28.1Very low185 Ų185133.9 Ų133.986%0.86478%0.775SS**  trans-146.5122.4160.7-89.7176.2-65.100106.4
373Q30.6Very low28.1Very low178 Ų178130 Ų13083%0.83277%0.766SS**  cis70.8118.245.9-164.6-175.73.500111.7
374S28Very low28Very low87 Ų87128 Ų12861%0.60876%0.764SS**  cis-154.6-161.8-10.450.60000107.9
375D27.8Very low27.9Very low137 Ų137128.9 Ų128.973%0.73375%0.754SS**  cis-160.9-175.911.1-122-44.5000107
376Q27.9Very low27.9Very low153 Ų153134.1 Ų134.172%0.71575%0.754SS**  cis-152.9-1558.5-146.3-164.3-46.400110.9
377E26.9Very low27.8Very low168 Ų168136.1 Ų136.179%0.78576%0.756SS**  trans-76.2175.5176.9-62.9154.4105.800113.9
378G26Very low27.4Very low72 Ų72136.6 Ų136.674%0.74275%0.754SS**  cis-173.8-165.81000000113.8
379S24.9Very low27Very low104 Ų104135.9 Ų135.973%0.72775%0.753SS**  trans-118.2148-155.5-54.10000117.7
380Q24.9Very low26.8Very low186 Ų186137.5 Ų137.587%0.86976%0.76SS**  trans65.8159.4140.1-72.8168-91.100122.8
381A24Very low26.6Very low81 Ų81133.6 Ų133.667%0.66975%0.75SS**  trans74.3115.216500000116.6
382E24Very low26.7Very low194 Ų194137.3 Ų137.391%0.90775%0.753SS**  76.6138.786.1-74178.6157.700113.9
383A27.1Very low27Very low83 Ų83136.3 Ų136.369%0.68675%0.749SS**  cis-161.3-166.7-7.400000110.1
384D27.4Very low27Very low156 Ų156136.6 Ų136.683%0.83475%0.75SS**  trans69.8130.9161.5-86.53.9000119.4
385T26.2Very low27.1Very low100 Ų100139.3 Ų139.361%0.61375%0.753SS**  cis-143.5-172.9-4.853.80000108.1
386K25.6Very low27.2Very low191 Ų191139.7 Ų139.783%0.8375%0.754SS**  cis-159.8-177.69.4-136.6146.8-167.8167.70106.7
387S23.7Very low27.3Very low115 Ų115138.6 Ų138.680%0.80475%0.753SS**  cis-149.4-167.19.857.30000111.6
388Q24Very low27.2Very low156 Ų156134.5 Ų134.573%0.72975%0.748SS**  trans-145.2171.9-167.1-165.2170.2-48.500112.4
389E28.2Very low27Very low140 Ų140137.5 Ų137.565%0.65476%0.756SS**  trans72.4139.5169.5-95.7104.8-119.700118
390E29.5Very low27Very low175 Ų175138.5 Ų138.582%0.81876%0.763SS**  cis-163.3173.6-6.9-148.1174.2-16100112.9
391A26.4Very low27Very low77 Ų77137.3 Ų137.364%0.63676%0.757SS**  trans97.5106.7146.700000123.4
392L30.8Very low26.9Very low145 Ų145142.6 Ų142.676%0.75977%0.768SS**  trans54.6138.6134.1-74.370.8000121.2
393E33Very low26.9Very low164 Ų164139.9 Ų139.977%0.76676%0.759SS**  cis-144.7-139.2-8.5-150.379.5-70.400109.6
394E31.3Very low26.8Very low184 Ų184144.1 Ų144.186%0.8677%0.77SS**  cis-154.6171.810.6-160.1170.4-14100110
395E30.5Very low26.6Very low145 Ų145145 Ų14568%0.67877%0.769SS**  trans-82.6172.2179-66.6-160.1143.400114L397E395-L397 HydrophobicContact CG-CD1 4.19Å; E395-L397 VanDerWaalsContact OE1-CD1 3.3Å; E395-L397 WeakPolarHBondContact OE1-CD1 3.45Å
396L28.9Very low26.4Very low145 Ų145145.2 Ų145.276%0.75978%0.775SS**  cis-128.316210.1-84.887.8000110.6
397L29.2Very low26.3Very low129 Ų129141.4 Ų141.468%0.67577%0.772SS**  cis86.2137.128.3-68.7169.7000115.8E395E395-L397 HydrophobicContact CG-CD1 4.19Å; E395-L397 VanDerWaalsContact OE1-CD1 3.3Å; E395-L397 WeakPolarHBondContact OE1-CD1 3.45Å
398A25Very low26.4Very low83 Ų83143.4 Ų143.469%0.68677%0.773SS**  cis-147.21671.700000113.2
399C21.8Very low26.5Very low134 Ų134142.2 Ų142.291%0.90578%0.777SS**  trans-107.4162.5160.2-69.40000110.2
400S25.8Very low26.4Very low126 Ų126140.3 Ų140.388%0.88178%0.779SS**  trans-147160.7159.462.50000111.2
401H23.9Very low26.5Very low161 Ų161140.3 Ų140.375%0.74578%0.784SS**  trans-152.7134.3-163-177.7-61.9000109.2
402E23.5Very low26.6Very low191 Ų191145.7 Ų145.789%0.89380%0.796SS**  trans-137.4161.9170.3-78-140.5127.900111.6
403N23.1Very low26.6Very low137 Ų137148.5 Ų148.573%0.73380%0.802SS**  trans-104.7148.4-166.2-63.9-62.3000113.1
404L24Very low26.4Very low172 Ų172148.4 Ų148.490%0.90180%0.802SS**  trans-151.695.7141.2-144.176.6000115.1
405Q24.5Very low26.3Very low174 Ų174148.7 Ų148.781%0.81380%0.8SS**  trans19.1123.7142.1-143.2165.617.100122.7
406S22.4Very low26.3Very low106 Ų106148.2 Ų148.274%0.74181%0.807SS**  trans74.9159.7154.792.20000118
407S23.6Very low26.4Very low110 Ų110150.6 Ų150.677%0.76981%0.811SS**  cis-147.6168.41.43.70000112.2
408N25.2Very low26.5Very low157 Ų157149.4 Ų149.484%0.8481%0.813SS**  trans-61159.9-179.8-55.7-33000114.3
409V26.8Very low27.2Very low132 Ų132151.6 Ų151.680%0.880%0.804SS**  -176.1144.7115.1141.40000113.9
410S26.3Very low27.5Very low99 Ų99150.4 Ų150.469%0.69279%0.794SS**  trans48119.4163.464.70000121.6
411N31.6Very low27.7Very low175 Ų175148.1 Ų148.194%0.93678%0.779SS**  trans-65.6133.7142.4-77.2-53.8000109.8
412E27.4Very low28Very low190 Ų190148.6 Ų148.689%0.88879%0.786SS**  trans-137142.8161.7-162.6173-142.300110E414E412-E414 PolarHBondContact O-N 3.06Å
413K31.3Very low28.4Very low205 Ų205148.2 Ų148.289%0.89178%0.781SS**  trans-77.9111.7-170-67.3176.4178175.50110.9K415K413-K415 PolarHBondContact O-N 2.89Å
414E27.7Very low28.6Very low161 Ų161146.9 Ų146.975%0.75278%0.783SS**  trans-62.9102.8178.2-166.9-175.3-158.200110.7K179 E412K179-E414 IonicContact NZ-OE1 3.18Å; K179-E414 PolarHBondContact NZ-OE1 3.37Å; K179-E414 IonicContact NZ-OE2 3.06Å; K179-E414 PolarHBondContact NZ-OE2 2.86Å; E412-E414 PolarHBondContact O-N 3.06Å
415K30.3Very low28.8Very low191 Ų191144.8 Ų144.883%0.8378%0.78SS**  trans-80.8120.4173.1-166.4175.5-174.7178.20108.6K413 K417K413-K415 PolarHBondContact O-N 2.89Å; K415-K417 PolarHBondContact O-N 3.36Å; K415-K417 VanDerWaalsContact O-N 3.12Å
416V29.4Very low29Very low134 Ų134143.9 Ų143.981%0.81278%0.78SS**  trans-54.8117.2-176.5178.90000110.7
417K31.5Very low29.3Very low196 Ų196143.5 Ų143.585%0.85278%0.775SS**  trans-99.296.5171.2-71.7-171.4176.3-173.10109.5K415K415-K417 PolarHBondContact O-N 3.36Å; K415-K417 VanDerWaalsContact O-N 3.12Å
418S31.5Very low29.3Very low103 Ų103147.5 Ų147.572%0.7278%0.781SS**  trans-74.4134.6161.449.30000109.7
419W39.9Very low29.3Very low130 Ų130150 Ų15049%0.49278%0.78SS.*  trans-65.8138.3171.5-67.1117.2000110.8E181 S195 S421E181-W419 PolarHBondContact OE2-NE1 2.9Å; S195-W419 WeakPolarHBondContact O-CH2 3.46Å; W419-S421 PolarHBondContact O-N 3.27Å
420P28.8Very low29.2Very low108 Ų108148.7 Ų148.770%0.70178%0.777SS**  trans-74.299.2176.529.8-32.9000110.1L422P420-L422 PolarHBondContact O-N 2.94Å
421S28.9Very low29.3Very low79 Ų79152.2 Ų152.255%0.55279%0.787SS**  trans-69.9109.5162.552.60000108.6W419 F423W419-S421 PolarHBondContact O-N 3.27Å; S421-F423 WeakPolarHBondContact O-CD2 3.31Å; S421-F423 PolarHBondContact O-N 3.4Å; S421-F423 VanDerWaalsContact O-N 3.13Å; S421-F423 VanDerWaalsContact OG-CE2 3.27Å; S421-F423 WeakPolarHBondContact OG-CE2 3.47Å
422L30.3Very low29.1Very low171 Ų171148.4 Ų148.490%0.89577%0.774SS**  trans-68.8108.7173.5-71175.8000109.5P420P420-L422 PolarHBondContact O-N 2.94Å
423F31.9Very low29.3Very low182 Ų182145.3 Ų145.380%0.79877%0.771SS**PPolyproline II helixtrans-81.6117174.9-70.3-93.4000110S421S421-F423 WeakPolarHBondContact O-CD2 3.31Å; S421-F423 PolarHBondContact O-N 3.4Å; S421-F423 VanDerWaalsContact O-N 3.13Å; S421-F423 VanDerWaalsContact OG-CE2 3.27Å; S421-F423 WeakPolarHBondContact OG-CE2 3.47Å
424S27.3Very low29Very low110 Ų110141.7 Ų141.777%0.76977%0.766SS**PPolyproline II helixtrans-76.5137.5153.8-56.10000108.6L426S424-L426 PolarHBondContact O-N 3.19Å
425P28Very low29Very low128 Ų128141.1 Ų141.183%0.83177%0.768SS**PPolyproline II helixtrans-70.6131.9-172.927.4-34.4000112.4
426L28.5Very low28.8Very low155 Ų155143.2 Ų143.281%0.81277%0.77SS**PPolyproline II helixtrans-84.2143.7157.1-85.2146000108.8S424 Q428S424-L426 PolarHBondContact O-N 3.19Å; L426-Q428 PolarHBondContact O-N 2.99Å
427P29.2Very low28.8Very low98 Ų98142.7 Ų142.764%0.63677%0.77SS**PPolyproline II helixtrans-63.6128171.226.9-33.4000110.3Y429P427-Y429 HydrophobicContact CG-CE2 4.35Å; P427-Y429 PolarHBondContact O-N 3.49Å; P427-Y429 VanDerWaalsContact O-N 3.1Å
428Q24.1Very low28.8Very low193 Ų193140.4 Ų140.490%0.90277%0.767SS**  trans-74.796.8174.8-72.5-175.9-13.800110.4L426 S430L426-Q428 PolarHBondContact O-N 2.99Å; Q428-S430 PolarHBondContact O-N 3.49Å; Q428-S430 VanDerWaalsContact O-N 3.16Å
429Y25.3Very low28.9Very low209 Ų209140.6 Ų140.682%0.8277%0.766SS**  trans-74.798.3162-82.1-79.8000109.8P427 L431P427-Y429 HydrophobicContact CG-CE2 4.35Å; P427-Y429 PolarHBondContact O-N 3.49Å; P427-Y429 VanDerWaalsContact O-N 3.1Å; Y429-L431 PolarHBondContact O-N 3.4Å
430S23.8Very low28.4Very low106 Ų106140.4 Ų140.474%0.74178%0.782SS**  trans-75.8104.2171.444.30000110.3Q428 S432Q428-S430 PolarHBondContact O-N 3.49Å; Q428-S430 VanDerWaalsContact O-N 3.16Å; S430-S432 PolarHBondContact O-N 2.88Å
431L27.8Very low28.4Very low172 Ų172145.2 Ų145.290%0.90179%0.791SS**  trans-89.184.9170-77.4171.2000110.4Y429Y429-L431 PolarHBondContact O-N 3.4Å
432S27.9Very low28.4Very low95 Ų95148.3 Ų148.366%0.66481%0.807SS**  trans-68.2145.2159-610000110.1S430S430-S432 PolarHBondContact O-N 2.88Å
433P31.3Very low28.1Very low126 Ų126143 Ų14382%0.81879%0.794SS**  trans-80.6132.1-165.931.1-35.6000113
434V26Very low27.9Very low129 Ų129143.1 Ų143.178%0.78280%0.797SS**  trans-131.5113.2171.6-179.20000111.4
435N26.3Very low27.9Very low148 Ų148145.6 Ų145.679%0.79180%0.796SS**  trans32.7122.8152.5-61.4-25.2000121.4
436R27.4Very low27.8Very low235 Ų235148.1 Ų148.189%0.88780%0.796SS**PPolyproline II helixtrans-62.3136.7157.2-66.3177174.6177.5-2.7111.2
437P29.8Very low27.6Very low124 Ų124146.3 Ų146.381%0.80580%0.795SS**PPolyproline II helixtrans-68.5141.1155-1631.2000110.7
438N29.7Very low27.4Very low147 Ų147149.7 Ų149.779%0.78681%0.807SS**PPolyproline II helixtrans-84.4151.5167.7-76-52000110.4
439P33.7Very low27.6Very low107 Ų107145.4 Ų145.470%0.69580%0.799SS**PPolyproline II helixtrans-66.4150.4175.628.7-35.2000111.7
440P31.3Very low27.6Very low127 Ų127142.6 Ų142.683%0.82580%0.798SS**PPolyproline II helixtrans-68.4133.9-176.527.7-34.6000112
441K27.1Very low27.8Very low209 Ų209142.2 Ų142.291%0.90980%0.795SS**PPolyproline II helixtrans-93.7120.1162.6-67.8-177.2178.1178.20109
442T29.5Very low27.9Very low144 Ų144140.8 Ų140.888%0.88379%0.788SS**PPolyproline II helixtrans-94.6143.6160.3-35.30000108.5
443G25.3Very low27.8Very low60 Ų60145.2 Ų145.262%0.61980%0.795SS**  trans-154.5178.4177.600000111.3
444Q27.5Very low27.5Very low184 Ų184145.4 Ų145.486%0.8680%0.795SS**  trans84.2138.9-161.3-56.6-174.6-17.800112.9
445Q26.3Very low28.3Very low161 Ų161143.9 Ų143.975%0.75279%0.787SS**  cis-145.1157.4-1.3-161.394.6-31.700109.8
446H25.9Very low28.3Very low181 Ų181144.1 Ų144.184%0.83879%0.788SS**  trans-77.5149.3167.9-71.1-100.1000112.2
447C24.7Very low28.4Very low117 Ų117138.5 Ų138.579%0.79179%0.785SS**  -167.3127.1128.3-100.30000114.3
448L25.4Very low28.3Very low169 Ų169140.2 Ų140.289%0.88579%0.785SS**  trans57.6140.4142-60.5169.8000122.6
449S27.4Very low28.8Very low104 Ų104138.5 Ų138.573%0.72778%0.782SS**  trans-89.1151.5166.8-45.80000111
450D26.5Very low28.5Very low150 Ų150137.3 Ų137.380%0.80278%0.776SS**  173.1147.1104.4-98.9-16.2000115.8
451S27.6Very low28.4Very low98 Ų98142.8 Ų142.869%0.68578%0.782SS**  trans73.6125.4144.876.50000123
452L28.5Very low28.5Very low142 Ų142142.1 Ų142.174%0.74378%0.779SS**  trans83.4142.9133.4-70.8165.7000123.9
453F26.4Very low28.4Very low187 Ų187141.8 Ų141.882%0.8278%0.777SS**  trans81.3135.1161.8-60.5-63000122.6
454T24.8Very low28.7Very low131 Ų131147.2 Ų147.280%0.80479%0.786SS**  trans-119.1-172166.159.10000106.9
455P44Very low29.6Very low97 Ų97144.4 Ų144.463%0.6378%0.784SS**  cis-140.2-158.24.538.8-15.4000115
456N26.4Very low29.6Very low152 Ų152139.9 Ų139.981%0.81378%0.78SS**  trans84.6145.9165.9-54.4-28.3000116.9
457S28.4Very low31Very low117 Ų117137 Ų13782%0.81878%0.778SS**  cis-147.8147.25.849.30000114.7
458M27.6Very low31.2Very low161 Ų161136.5 Ų136.579%0.79378%0.775SS**  trans-81.9163.5161.7-100.2-72.8-168.400110.8
459P40.5Very low31.5Very low111 Ų111134.8 Ų134.872%0.72177%0.772SS**  -133.2162.155.924.6-1.1000114.6
460S28.4Very low31.4Very low82 Ų82142.1 Ų142.157%0.57378%0.784SS**  cis86.4110.128900000116.8
461Y28Very low31.6Very low241 Ų241144.6 Ų144.695%0.94579%0.788SS**  trans-141.7149.5155.6-99-76.9000110.4
462F29.5Very low31.5Very low196 Ų196143.7 Ų143.786%0.8679%0.793SS**  trans-154131.2-160.5-140.7-72.1000110.1
463T28.1Very low31.5Very low136 Ų136146.5 Ų146.583%0.83480%0.8SS**  trans-153.6129.3161.8-18.80000113.9
464Q30.3Very low31.3Very low175 Ų175148.5 Ų148.582%0.81880%0.802SS**  trans-139.8160.5154.9-96.2-161.8-4.500107.7
465P46.8Very low31.4Very low124 Ų124146.6 Ų146.681%0.80579%0.794SS**  -143.5159.112335.8-21.7000115.1
466G26.3Very low30.6Very low66 Ų66148 Ų14868%0.6880%0.796SS**  trans-103.4-143.3162.800000111.3
467P55.2Low30.7Very low122 Ų122150.2 Ų150.279%0.79280%0.795SS**  cis-142.9-169.91.443.3-24.7000116.3
468S29.8Very low30.6Very low105 Ų105156.9 Ų156.973%0.73480%0.802SS**  trans89.4144.7152.483.80000119.7
469T31.1Very low30.4Very low134 Ų134156.9 Ų156.982%0.82280%0.8SS**  cis-164.8135.3-18.818.80000112.2
470R25.9Very low29.5Very low257 Ų257157.8 Ų157.897%0.9781%0.808SS**  trans-163.4169.3133.9-123.7176.6-178.5172.21.4112.3
471K30.7Very low29.3Very low203 Ų203158.1 Ų158.188%0.88381%0.81SS**  trans-106.8150.9-163.9-61176.9177.8178.90113.6
472G25.2Very low29Very low78 Ų78157.2 Ų157.280%0.80481%0.812SS**  trans-167.8112.816500000113
473F27.1Very low28.8Very low202 Ų202154 Ų15489%0.88680%0.804SS**  trans-76.4167171.4-86.9-106.4000110.4
474R23.1Very low28.8Very low228 Ų228155.1 Ų155.186%0.8680%0.799SS**  cis-155.3162.712.7-164169.1177.9171.4-0.7109.8
475S27.4Very low28.5Very low91 Ų91157.1 Ų157.164%0.63681%0.805SS**  trans-121.7147157.5174.80000110.3
476N27.6Very low27.6Very low126 Ų126159 Ų15967%0.67480%0.803SS**  trans149.8136.5135.9-78.15.8000114
477Y27.3Very low27.5Very low200 Ų200161.4 Ų161.478%0.78481%0.809SS**  trans30.8131.3143.5-68.4-98.7000121.2
478W26.4Very low26.1Very low256 Ų256163.2 Ų163.297%0.9781%0.807SS**  trans-137145.4134.1-77.5112.1000110.9
479E23.3Very low26.5Very low161 Ų161163.3 Ų163.375%0.75281%0.805SS**  trans-131.3142.6179.7174.1175.8-145.700106.7
480C22.6Very low26.2Very low130 Ų130165.3 Ų165.388%0.87881%0.81SS**  trans-146.3111176-91.90000110.6
481S22.8Very low26.2Very low90 Ų90161.1 Ų161.163%0.62980%0.801SS**  trans-80.5158.9172.8-47.30000112
482F23.3Very low26.5Very low221 Ų221156 Ų15697%0.96979%0.788SS**  trans-131.4152142-94.4-77.1000108.9
483D25.3Very low26.5Very low130 Ų130160.2 Ų160.270%0.69579%0.787SS**  trans-137.3168.4-153.4-156.5-19000111.7
484H27.1Very low26.3Very low159 Ų159156 Ų15674%0.73678%0.782SS**  trans66.5108.8165.8-72.223.9000118.2
485K24.6Very low26.4Very low216 Ų216150.1 Ų150.194%0.93978%0.783SS**  -154.3140.699.4-112.6173.7-176.9177.20113
486Q27.3Very low26.3Very low164 Ų164150 Ų15077%0.76679%0.787SS**  trans-122.2146.7179-173.1-179.322.900109.2
487S23.6Very low26.2Very low116 Ų116153.2 Ų153.281%0.81180%0.798SS**  trans-146.5156.3162.956.80000109.8
488H26.7Very low26.1Very low160 Ų160152.1 Ų152.174%0.74180%0.8SS**  trans-98.6162.1-157.8-92.5-87.5000114.8
489P38.8Very low26Very low107 Ų107146.6 Ų146.670%0.69578%0.784SS**  trans-89.3158.7-167.536.2-36.7000114.1
490L23.6Very low26Very low177 Ų177146.5 Ų146.593%0.92779%0.789SS**  trans-139.4133.7164.9-80.3175000112.5
491H25.7Very low26.1Very low169 Ų169147.6 Ų147.678%0.78278%0.781SS**  trans-131.8140.5158.2-170.760000103.6
492P36.5Very low26.1Very low95 Ų95147.4 Ų147.462%0.61778%0.784SS**  -156.2175.97942.3-21.6000118.7
493Q25.3Very low26.2Very low166 Ų166144.2 Ų144.278%0.77677%0.773SS**  trans74.6115.5141.9-86.5173.420.900122.6
494S23.9Very low26.1Very low113 Ų113143.1 Ų143.179%0.7977%0.767SS**  63.7109113.2-1730000121.2
495A25.8Very low26.1Very low105 Ų105141.3 Ų141.387%0.86876%0.763SS**  trans-141.5145.7134.500000108.9
496A23.8Very low26.3Very low88 Ų88137.8 Ų137.873%0.72775%0.753SS**  trans-138.3149.9-177.500000111.2
497H25.3Very low26.2Very low194 Ų194137 Ų13790%0.89875%0.754SS**  trans-146.3102.2159.8-110.350.8000111
498E26.7Very low26.3Very low178 Ų178137.8 Ų137.883%0.83275%0.754SS**  trans-20.5161.1131.2-80.6-178.1158.400116.5
499H24.1Very low26.2Very low139 Ų139135 Ų13564%0.64476%0.759SS**  cis-173.5149.4-2.6155.5-94.9000108.7
500L23.5Very low25.5Very low160 Ų160136.7 Ų136.784%0.83876%0.757SS**  trans-172.4135.6135.6-105.9165.7000112.3
501Q24.1Very low25.6Very low152 Ų152134.8 Ų134.871%0.7175%0.753SS**  trans-139.6142.2179.5176.7179.8-900109.9
502A22.8Very low25.6Very low86 Ų86132.6 Ų132.671%0.71175%0.746SS**  trans-142.9133.3157.100000105.5
503Q25.2Very low25Very low155 Ų155139.3 Ų139.372%0.72476%0.761SS**  58.8132.550-65.9-159.5-89.100112.3
504N24.6Very low25.2Very low106 Ų106140.6 Ų140.657%0.56777%0.77SS**  cis-157.2172.815-143.333.5000113.9
505D25.2Very low25.3Very low122 Ų122139.1 Ų139.165%0.65277%0.772SS**  trans75.2149.7151.1-64-37.5000119.9
506L29.3Very low25.3Very low142 Ų142138.8 Ų138.874%0.74377%0.769SS**  cis-149.2174.7-0.7-126165.6000112.8
507N25.5Very low25.9Very low148 Ų148140.2 Ų140.279%0.79177%0.771SS**  trans-63.4155.3-161.9-69.8-32.4000119.7
508T25.6Very low26Very low131 Ų131138.7 Ų138.780%0.80477%0.769SS**  trans-60.7152.9153.9-45.50000112.9
509A25Very low25.9Very low101 Ų101136.6 Ų136.684%0.83576%0.763SS**  trans-121.8145.8161.800000110.7
510H23.4Very low26Very low144 Ų144136.6 Ų136.667%0.66777%0.773SS**  trans-144128.1-167.4-172.2-65.3000111.3D512H510-D512 IonicContact CE1-OD1 3.17Å; H510-D512 PolarHBondContact CE1-OD1 2.91Å; H510-D512 VanDerWaalsContact CE1-OD1 3.24Å; H510-D512 IonicContact ND1-OD1 3.68Å
511V27.1Very low26.1Very low137 Ų137137.1 Ų137.183%0.8377%0.77SS**  trans-149.593.7168.1-1770000106.2
512D24.8Very low26.2Very low122 Ų122136.3 Ų136.365%0.65278%0.776SS**  53.6109.683.9-86.3-8.2000116.2H510H510-D512 IonicContact CE1-OD1 3.17Å; H510-D512 PolarHBondContact CE1-OD1 2.91Å; H510-D512 VanDerWaalsContact CE1-OD1 3.24Å; H510-D512 IonicContact ND1-OD1 3.68Å
513Y24.6Very low26.3Very low237 Ų237140 Ų14093%0.92978%0.783SS**  trans-148.5140.1149.2-117.2-84.8000109.6
514M28.3Very low26.3Very low193 Ų193139.6 Ų139.695%0.95179%0.785SS**  trans-103.2138.6-174.1-93.7-94.9-81.300112.3
515G25.9Very low26.3Very low81 Ų81140.9 Ų140.984%0.83580%0.797SS**  trans161.4119.5170.600000113.5
516A26.5Very low26.6Very low98 Ų98145.5 Ų145.581%0.8181%0.805SS**  trans-133177.7177.400000109.3
517P37.4Very low26.6Very low118 Ų118144.7 Ų144.777%0.76681%0.808SS**  cis-125.2169.6-11.240.4-27.3000113.3
518L26.2Very low26.9Very low162 Ų162142.5 Ų142.585%0.84881%0.805SS**  trans-169.2166.7153.7-109.9155.1000112.9
519D25.4Very low27.3Very low135 Ų135145.3 Ų145.372%0.72281%0.809SS**  trans-63.4141.1-166.1-70.7-71.5000116.5
520V25.6Very low27.6Very low138 Ų138150.8 Ų150.884%0.83681%0.809SS**  trans-101.388.5165.2-1780000109.3
521H26.5Very low28.4Very low171 Ų171147.8 Ų147.879%0.79280%0.801SS**PPolyproline II helixtrans-73.4127.1165.2-97.9-80.6000110.2L523H521-L523 PolarHBondContact O-N 3.43Å
522V25.9Very low28.8Very low136 Ų136148.7 Ų148.782%0.82480%0.796SS**PPolyproline II helixtrans-65.8117.1178.2178.40000110N524V522-N524 PolarHBondContact O-N 3.07Å
523L24.7Very low29.6Very low163 Ų163146.9 Ų146.985%0.85379%0.789SS**PPolyproline II helixtrans-75.9122.8177.3-103.4166.1000111.1H521H521-L523 PolarHBondContact O-N 3.43Å
524N24Very low30.2Very low147 Ų147144 Ų14479%0.78678%0.784SS**  trans-87.3110.4-172.9-166.820.3000110.8V522 R526V522-N524 PolarHBondContact O-N 3.07Å; N524-R526 PolarHBondContact O-N 3.32Å
525V25.8Very low30.7Very low133 Ų133145.5 Ų145.581%0.80678%0.78SS**PPolyproline II helixtrans-77.6121.3-176.9179.30000110.6
526R31.3Very low31.4Very low218 Ų218146.9 Ų146.982%0.82377%0.772SS**PPolyproline II helixtrans-82156.8174.5-76.6-174.3174.2-178.5-0.6111.9N524N524-R526 PolarHBondContact O-N 3.32Å
527P30.3Very low31.7Very low125 Ų125146 Ų14681%0.81276%0.759SS**PPolyproline II helixtrans-65.3153.7173.5-17.832000112.8
528S29.8Very low32.1Very low103 Ų103147.3 Ų147.372%0.7277%0.765SS**PPolyproline II helixtrans-72.2132.3176.2-37.80000112.2
529E34Very low32.7Very low189 Ų189148 Ų14888%0.88376%0.764SS**PPolyproline II helixtrans-85.5148.9166.4-66.6-179.1154.700110.6
530Y32.1Very low33.6Very low216 Ų216150 Ų15085%0.84778%0.775SS**  trans-110.1143.2179.2-72.3-97.6000110.2
531V40.6Very low34.1Very low82 Ų82145.4 Ų145.450%0.49775%0.754SS.*  trans-128.9135.5177.3-170.40000109.1L544V531-L544 HydrophobicContact CG1-CB 4.32Å; V531-L544 HydrophobicContact CG1-CD2 4.33Å
532E35.1Very low34.7Very low155 Ų155141.5 Ų141.572%0.72474%0.743SS**  trans-102133.9-177.8-169.8170.7-13900111.1
533V41.2Very low35.3Very low84 Ų84141.9 Ų141.951%0.50974%0.739SS.*  trans-97.8103.1-174.7-173.80000110.1V542 L544V533-V542 HydrophobicContact CG1-CG1 4.01Å; V533-L544 HydrophobicContact CG2-CD2 3.89Å
534Q38.2Very low35.8Very low177 Ų177138.7 Ų138.783%0.82772%0.722SS**  trans-90.1-18.2-167.8-15117259.400115.3
535R38Very low36.5Very low225 Ų225138.3 Ų138.385%0.84972%0.716SS**  trans-158.3151.2170.8-107.1174.1-157.9-173.35.7112.3
536V40.2Very low37Very low110 Ų110137.1 Ų137.167%0.66771%0.711SS**  trans-117.6130.6167.2178.80000107.5
537S34.6Very low37.1Very low78 Ų78133 Ų13355%0.54571%0.709SS.*  trans-92.3155.5169.2-166.40000110.1E539S537-E539 PolarHBondContact O-N 3.33Å
538V45.3Very low37.3Very low147 Ų147132 Ų13289%0.89171%0.706SS**SBendtrans-77.2-1.5-176-171.70000112.6
539E39Very low37.5Very low177 Ų177132.9 Ų132.983%0.82771%0.709SS**SBendtrans-120.472.5179-65.2178.517800110.4S537 G541S537-E539 PolarHBondContact O-N 3.33Å; E539-G541 VanDerWaalsContact C-N 3.31Å; E539-G541 PolarHBondContact O-N 3.4Å
540D44.4Very low37.3Very low177 Ų177129.8 Ų129.895%0.94771%0.708SS**SBendtrans37.443.9163.4-67-24.5000118.2
541G35.8Very low37.4Very low40 Ų40127.5 Ų127.541%0.41271%0.705SS.*  trans-135.9113.7175.600000112.7E539E539-G541 VanDerWaalsContact C-N 3.31Å; E539-G541 PolarHBondContact O-N 3.4Å
542V38.8Very low36.6Very low90 Ų90132.6 Ų132.655%0.54572%0.723SS.*  trans-105.7109.7168.8-178.80000108.4V533 L544V533-V542 HydrophobicContact CG1-CG1 4.01Å; V542-L544 HydrophobicContact CG1-CD2 3.94Å; V542-L544 HydrophobicContact CG1-CG 4.31Å
543L38Very low36.4Very low143 Ų143132.4 Ų132.475%0.74973%0.727SS**  trans-88.6124.2174.9-158.584.8000109.4
544L36Very low35.8Very low96 Ų96132.2 Ų132.250%0.50373%0.73SS.*  trans-111.6142.5176-60.2178.5000109.9V531 V533 V542V531-L544 HydrophobicContact CG1-CB 4.32Å; V531-L544 HydrophobicContact CG1-CD2 4.33Å; V533-L544 HydrophobicContact CG2-CD2 3.89Å; V542-L544 HydrophobicContact CG1-CD2 3.94Å; V542-L544 HydrophobicContact CG1-CG 4.31Å
545H38.7Very low35.2Very low140 Ų140134.5 Ų134.565%0.64873%0.731SS**  trans-136.7137.3170.8-90.421.9000109.7
546P34.8Very low34.8Very low108 Ų108130.1 Ų130.170%0.70173%0.729SS**  trans-73.2140173.530.8-33.7000110.7
547V33.7Very low34.1Very low130 Ų130131.8 Ų131.879%0.78873%0.734SS**  trans-94.4105.6175.5-179.80000109.1
548S34.9Very low33.8Very low106 Ų106133.6 Ų133.674%0.74175%0.746SS**PPolyproline II helixtrans-65128.9178.3-50.40000111.6
549P34.1Very low33.1Very low120 Ų120133.9 Ų133.978%0.77974%0.738SS**PPolyproline II helixtrans-67.4150.1168.129.1-33.8000110.9Q551P549-Q551 PolarHBondContact O-N 3.04Å
550S30.6Very low32.7Very low125 Ų125134.1 Ų134.187%0.87474%0.739SS**PPolyproline II helixtrans-60.8129.3-179.953.10000112.3
551Q32.6Very low32Very low168 Ų168131.9 Ų131.979%0.78573%0.732SS**PPolyproline II helixtrans-100130.2-175.6-179.8174.840.100112.8P549P549-Q551 PolarHBondContact O-N 3.04Å
552E25.7Very low32Very low188 Ų188135.2 Ų135.288%0.87974%0.737SS**  trans-116.2144143.9-88.6-172.3153.300109.4
553D29.2Very low31.8Very low151 Ų151138.1 Ų138.181%0.80775%0.749SS**SBendtrans4376.6162.5-72.83.5000122.1
554S28.4Very low31.7Very low81 Ų81138.4 Ų138.457%0.56674%0.741SS**  97.5139.8108.285.20000121.8
555R26.6Very low31.9Very low224 Ų224139 Ų13985%0.84575%0.754SS**  trans74.7104.4153.1-71.4177.5179.4175.72.2120.7
556T29.3Very low32Very low133 Ų133143.2 Ų143.282%0.81676%0.764SS**  trans66.687.4134.557.10000118.8
557L25Very low32.4Very low146 Ų146142.2 Ų142.276%0.76476%0.756SS**  -141.6131.5121-165.462.7000109.3
558S29.7Very low32.7Very low115 Ų115145 Ų14580%0.80475%0.752SS**  trans-87.7126.4171.2-177.90000108.5
559H30.3Very low32.8Very low154 Ų154145.2 Ų145.271%0.71375%0.749SS**  trans-127.1139.3165-95.1-87.8000108.6
560Q29.4Very low33.3Very low182 Ų182144.4 Ų144.485%0.8574%0.741SS**  trans-70.8136.4175.3-65.3164.1-80.500109.5E562Q560-E562 PolarHBondContact O-N 3.46Å
561T31Very low33.5Very low130 Ų130143.9 Ų143.980%0.79873%0.729SS**  trans-72.1116.3167.7-39.80000108.4
562E34.5Very low34.1Very low110 Ų110142.7 Ų142.751%0.51473%0.728SS.*  trans-91.3109.8172.5-64.6-162.611500109.7Q560 Y564 R581Q560-E562 PolarHBondContact O-N 3.46Å; E562-Y564 HydrophobicContact CB-CE2 4.03Å; E562-Y564 VanDerWaalsContact O-CD2 3.26Å; E562-Y564 WeakPolarHBondContact O-CD2 3.29Å; E562-Y564 WeakPolarHBondContact O-CE2 3.44Å; E562-Y564 PolarHBondContact OE2-OH 3.22Å; E562-R581 IonicContact OE1-CZ 3.24Å; E562-R581 IonicContact OE1-NH2 2.88Å; E562-R581 PolarHBondContact OE1-NH2 3.27Å; E562-R581 IonicContact OE2-NH2 3.83Å; E562-R581 PolarHBondContact OE2-NH2 3.01Å
563D34.9Very low34.9Very low151 Ų151140.1 Ų140.181%0.80772%0.72SS**  trans-80.1117.6176.5-77.3-36.9000111.6
564Y35.9Very low35.4Very low148 Ų148139.9 Ų139.958%0.5872%0.719SS**  trans-91.9116.6176.7-68.3-93.1000110.7E562 L579E562-Y564 HydrophobicContact CB-CE2 4.03Å; E562-Y564 VanDerWaalsContact O-CD2 3.26Å; E562-Y564 WeakPolarHBondContact O-CD2 3.29Å; E562-Y564 WeakPolarHBondContact O-CE2 3.44Å; E562-Y564 PolarHBondContact OE2-OH 3.22Å; Y564-L579 HydrophobicContact CD1-CD2 3.49Å; Y564-L579 VanDerWaalsContact CD1-CD2 3.49Å; Y564-L579 HydrophobicContact CE1-CD2 4.33Å; Y564-L579 HydrophobicContact CG-CD2 3.89Å
565S40.1Very low36.1Very low109 Ų109139.3 Ų139.376%0.76273%0.726SS**  trans-105.9-4.6-158.761.90000117.4
566R40.9Very low36.4Very low228 Ų228134.7 Ų134.786%0.8672%0.717SS**  trans-163.7150.4175.9-108.5152.5-135.1-164.80.7114.3
567V43.9Very low37.1Very low88 Ų88133.2 Ų133.253%0.53370%0.704SS.*  trans-105.6142.1167.2174.60000108.6L577V567-L577 HydrophobicContact CG1-CD2 3.66Å; V567-L577 HydrophobicContact CG2-CD2 4.49Å
568R39Very low37.6Very low188 Ų188133 Ų13371%0.70970%0.702SS**  trans-103.7-40.4-170.8-151.8172.7-169.2163.88.5115.5
569V38.3Very low38.3Very low111 Ų111132.2 Ų132.267%0.67369%0.688SS**  trans-150.8144.5176.9-178.10000109.3
570V43.4Very low38.5Very low103 Ų103131 Ų13162%0.62468%0.683SS**  trans-108127.6163.9177.40000107.9L577V570-L577 HydrophobicContact CG2-CD2 4.39Å
571N35.3Very low38.8Very low114 Ų114130.8 Ų130.861%0.6168%0.675SS**  trans-104.8127.8173-16615.5000110D573N571-D573 PolarHBondContact O-N 2.99Å
572N44.8Very low38.8Very low143 Ų143130.9 Ų130.977%0.76567%0.67SS**THydrogen-bonded Turntrans-80.9-16.9-149.4-150.645.7000115
573D43.2Very low38.6Very low134 Ų134130.1 Ų130.172%0.71768%0.683SS**THydrogen-bonded Turntrans-97.9-13.8-168.1-55.3-43.1000114.3N571N571-D573 PolarHBondContact O-N 2.99Å
574N39.9Very low38.5Very low146 Ų146130.2 Ų130.278%0.78168%0.682SS**THydrogen-bonded Turntrans-138.3-2.6-174.7-67.9106.8000116L576N574-L576 VanDerWaalsContact C-N 3.29Å; N574-L576 PolarHBondContact O-N 3.12Å
575G42.3Very low38.3Very low69 Ų69132.4 Ų132.471%0.71170%0.697SS**  trans65.619.8168.400000116.9
576L34Very low37.9Very low127 Ų127136 Ų13667%0.66570%0.702SS**PPolyproline II helixtrans-84.4121.8-179.7-163.878.9000111.5N574 L578N574-L576 VanDerWaalsContact C-N 3.29Å; N574-L576 PolarHBondContact O-N 3.12Å; L576-L578 HydrophobicContact CD2-CG 4.46Å
577L43.2Very low37.3Very low102 Ų102134.7 Ų134.753%0.53471%0.706SS.*PPolyproline II helixtrans-95.5117.7171.8-75.5168.5000110.6V567 V570V567-L577 HydrophobicContact CG1-CD2 3.66Å; V567-L577 HydrophobicContact CG2-CD2 4.49Å; V570-L577 HydrophobicContact CG2-CD2 4.39Å
578L35.1Very low36.4Very low140 Ų140140 Ų14073%0.73372%0.721SS**PPolyproline II helixtrans-101.1117.7171.4-83.7161.6000109.9L576L576-L578 HydrophobicContact CD2-CG 4.46Å
579L44Very low35.7Very low99 Ų99136.6 Ų136.652%0.51873%0.727SS.*PPolyproline II helixtrans-91.8134.3169.8-6794.3000109.6Y564Y564-L579 HydrophobicContact CD1-CD2 3.49Å; Y564-L579 VanDerWaalsContact CD1-CD2 3.49Å; Y564-L579 HydrophobicContact CE1-CD2 4.33Å; Y564-L579 HydrophobicContact CG-CD2 3.89Å
580Q35.9Very low34.9Very low128 Ų128138.8 Ų138.860%0.59873%0.732SS**PPolyproline II helixtrans-101.2134.7174.6-178167.82.700109.3
581R36Very low34Very low179 Ų179138.9 Ų138.968%0.67574%0.736SS**  trans-97.9110.8174.5-160.6-175.4-144.5129.24.7108E562E562-R581 IonicContact OE1-CZ 3.24Å; E562-R581 IonicContact OE1-NH2 2.88Å; E562-R581 PolarHBondContact OE1-NH2 3.27Å; E562-R581 IonicContact OE2-NH2 3.83Å; E562-R581 PolarHBondContact OE2-NH2 3.01Å
582D30.7Very low34.2Very low131 Ų131138.5 Ų138.570%0.70174%0.739SS**PPolyproline II helixtrans-78.6121.7170.3-72.4-22.6000108.5
583A29.8Very low33.3Very low95 Ų95142 Ų14279%0.78574%0.743SS**PPolyproline II helixtrans-89118.9177.200000109.5
584I33Very low32.6Very low153 Ų153141.9 Ų141.979%0.78574%0.738SS**PPolyproline II helixtrans-91.1119.1163.6-60.7178.3000106.7E586I584-E586 HydrophobicContact CG2-CG 4.21Å
585E32.2Very low32Very low194 Ų194142.4 Ų142.491%0.90774%0.736SS**PPolyproline II helixtrans-75.7118.7168-63-177.1134.300108.7
586E30.9Very low31.3Very low185 Ų185145.9 Ų145.986%0.86474%0.738SS**  trans-120.2137.6163.5-78.5-160.1145.300111.2I584I584-E586 HydrophobicContact CG2-CG 4.21Å
587E27.7Very low30.9Very low200 Ų200145.5 Ų145.594%0.93574%0.741SS**  trans-84.2149-169.4-167.5176-173.400112.1
588K25.5Very low30.3Very low198 Ų198146.5 Ų146.586%0.86175%0.751SS**  trans-105.8106.7-163.8-178.1-178.6178178.70113.6
589S24.6Very low29.9Very low117 Ų117144.7 Ų144.782%0.81875%0.75SS**  trans-157.4165.1156.677.20000112.9
590M21.3Very low29.1Very low158 Ų158151.2 Ų151.278%0.77877%0.768SS**  cis-172.495.4-43178.567.5-178.600108.5
591C24.3Very low28.6Very low105 Ų105149.5 Ų149.571%0.70978%0.776SS**  trans64.9-177.5158-650000117.6
592P40.2Very low28.1Very low105 Ų105145.6 Ų145.668%0.68278%0.776SS**  -137.6154.9-50.334.7-19.5000116.3
593Y26.1Very low27.9Very low217 Ų217147 Ų14785%0.85178%0.782SS**  trans60.7164144.3-75.3-122.3000117.7
594Q28.6Very low27.9Very low131 Ų131148.3 Ų148.361%0.61278%0.78SS**  cis-164.1154.131.7-169.7122.3-22.300112.2
595E26.8Very low28.2Very low158 Ų158146 Ų14674%0.73878%0.775SS**  trans34.7156.3146.5-72.2158.1-174.100123.8
596D26.7Very low28.1Very low141 Ų141142.6 Ų142.675%0.75477%0.768SS**  cis-176.9-162.4-24.3-159.5-16.8000108.2
597V27Very low27.9Very low119 Ų119139.7 Ų139.772%0.72176%0.758SS**  trans9380154.7-162.30000120.3
598V28.9Very low28.2Very low123 Ų123137.4 Ų137.475%0.74575%0.747SS**  65.2116.6112.4175.10000123
599S27.4Very low28.4Very low103 Ų103134.2 Ų134.272%0.7274%0.739SS**  trans95.4132.9134.9-77.90000126.9
600R26.8Very low28.5Very low236 Ų236132.9 Ų132.989%0.89173%0.73SS**  trans85.4117.5135.1-89.3-176.2173.21670.2123.2
601A26.9Very low29Very low92 Ų92129.7 Ų129.776%0.7673%0.729SS**  trans66.9150.7132.600000119.7
602S25.7Very low29.3Very low97 Ų97131.4 Ų131.468%0.67874%0.736SS**  cis-176171-17.753.30000110.3
603I26.6Very low28.7Very low160 Ų160129.6 Ų129.682%0.82174%0.737SS**  trans90.6140.2161.4-58.7160.4000117.7
604T28.7Very low28.9Very low122 Ų122127.1 Ų127.175%0.74874%0.736SS**  trans-84.5173.7-177-16.90000113.1
605P39.8Very low28.9Very low104 Ų104128.3 Ų128.368%0.67575%0.747SS**  -161.9141.38840.1-18.4000120.1
606T28.7Very low28.9Very low123 Ų123129 Ų12976%0.75575%0.754SS**  trans60.1171.414166.70000119.9
607L28.8Very low29Very low125 Ų125126.1 Ų126.165%0.65475%0.749SS**  cis-163.3145.915-167.752.2000113.5
608Q32Very low29.2Very low152 Ų152128.1 Ų128.171%0.7176%0.755SS**  trans60.5164.4156.3-75.8167.2-10.700118.8
609N30.9Very low30Very low131 Ų131127.5 Ų127.570%0.70175%0.754SS**  cis-167.5176.1-11.4-109.2-1.9000109
610S27.4Very low30Very low88 Ų88129.3 Ų129.362%0.61575%0.754SS**  cis178.4142.4-37.958.20000112.2
611A31.8Very low30Very low92 Ų92125 Ų12576%0.7675%0.748SS**  trans67.6161.8154.800000118.8
612T30.6Very low30Very low141 Ų141126.4 Ų126.487%0.86574%0.743SS**  cis-167164.8-19.823.80000107.8
613G27.6Very low30.2Very low67 Ų67129 Ų12969%0.69174%0.744SS**  cis12686.6-2.400000114.6
614I28.9Very low30.3Very low165 Ų165128.4 Ų128.485%0.84674%0.739SS**  trans-142145.3179.1-67.8-177.4000112.5
615N28.7Very low30.4Very low155 Ų155126.6 Ų126.683%0.82974%0.737SS**  trans-122.5156.4176.9-59.2-67.7000112.5
616I28Very low29.9Very low173 Ų173126.5 Ų126.589%0.88775%0.745SS**  trans-142.7153.1152.3-60.4-174000107.9
617A28.7Very low30Very low80 Ų80126.7 Ų126.766%0.66175%0.751SS**  trans-143.4153.3-169.400000115.4
618L29.9Very low29.9Very low161 Ų161123.8 Ų123.884%0.84375%0.751SS**  trans47.7179.4138.2-74.7172.2000120.6
619P46.8Very low29.7Very low111 Ų111127.3 Ų127.372%0.72176%0.76SS**  cis-98.8-140.4-10.914.28.6000113.3
620I27.7Very low29.7Very low140 Ų140128.3 Ų128.372%0.71876%0.764SS**  cis-156137.220.2-76.3174.2000111
621L26.6Very low29.8Very low145 Ų145130.6 Ų130.676%0.75977%0.769SS**  trans41.2151.8155.3-87.754.3000121.9
622D26.6Very low29.9Very low123 Ų123132.3 Ų132.366%0.65877%0.77SS**  cis-150.1178.45.7-138.6-19.5000115.2
623E29.7Very low30.1Very low150 Ų150129.9 Ų129.970%0.70176%0.764SS**  trans-29.4164.2169.5-76.4-175.8142.400120.2
624M28.6Very low30.3Very low148 Ų148133 Ų13373%0.72977%0.77SS**  cis-154.7165.615.9-145-178.9-92.700113.9
625A29.8Very low30.4Very low85 Ų85133.3 Ų133.370%0.70277%0.77SS**  trans34118.7154.800000120.1
626A30.7Very low30.8Very low101 Ų101136.3 Ų136.384%0.83578%0.776SS**  cis72.911139.900000116.6
627S29.6Very low31Very low128 Ų128131.2 Ų131.290%0.89577%0.766SS**  -170.4145.9117.4-167.10000111.2
628G27.4Very low31.5Very low63 Ų63135.2 Ų135.265%0.64978%0.775SS**  trans-125.4157.6-179.400000112.7
629Y26.8Very low32.4Very low227 Ų227133.4 Ų133.489%0.8977%0.774SS**  trans-67.8135.4-177.8-152-100000112
630I32.2Very low32.2Very low152 Ų152134 Ų13478%0.77978%0.775SS**  trans-136.3137.7165.5-63.2-177.1000108.3
631D29.9Very low33Very low135 Ų135139.4 Ų139.472%0.72280%0.797SS**  trans-118.1135.1176.8179.919.6000109.6
632T33.4Very low33.3Very low128 Ų128139.2 Ų139.279%0.78580%0.799SS**  trans-157.8130.7172.746.90000110.8
633A33.6Very low33.7Very low90 Ų90140 Ų14074%0.74481%0.806SS**  trans-134.2117.2172.700000111.7
634T32.9Very low33.9Very low132 Ų132139.4 Ų139.481%0.8181%0.812SS**  trans-161.3153157.2-18.80000112.4
635M31.9Very low34.2Very low173 Ų173138.9 Ų138.985%0.85282%0.817SS**  trans59.9108.4163-66.2-167.3-81.200119.2
636F35.8Very low34.5Very low217 Ų217142.3 Ų142.395%0.95282%0.824SS**  trans-106.7127.4146.7-93.1-86.1000109.3
637G32.7Very low34.7Very low66 Ų66145.1 Ų145.168%0.6882%0.823SS**  trans-99.7159.5166.200000111.2
638L38.8Very low35.1Very low164 Ų164146.3 Ų146.386%0.85982%0.818SS**  trans-68.8159169.2-71.685.7000110.7
639P48.2Very low35.7Very low124 Ų124152.7 Ų152.781%0.80583%0.831SS**  -121144.6127.935.1-31.4000112
640T43.8Very low36.4Very low122 Ų122146.5 Ų146.575%0.74883%0.826SS**  trans-84.4134.2163.248.40000110.1
641H43.8Very low36.8Very low255 Ų255146 Ų146100%1.18183%0.831SS**  trans-156.20132.1-133.8-51.3000113.7

Retrieved 641 of 641 residues in 634.7 ms (Link to these results)

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