A0A087YG13_POEFO Loading...

CXADR like membrane protein

AlphaFold DB , UniProt , Accession A0A087YG13, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 385 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
1M53.5Low62.2Low207 Ų207115.7 Ų115.7100%1.0261%0.614SS**  01130-74.8163.793.400107.9L5M1-L5 HydrophobicContact CB-CD2 4.34Å; M1-L5 HydrophobicContact CE-CD2 3.76Å; M1-L5 HydrophobicContact CG-CD2 4.44Å
2S65.6Low61.5Low68 Ų68114.7 Ų114.748%0.47661%0.607SS.*  trans-59.9147.1-166178.90000112.8I4 L5 R6S2-I4 PolarHBondContact O-N 3.25Å; S2-I4 WeakPolarHBondContact OG-CG1 3.31Å; S2-I4 PolarHBondContact OG-N 3.44Å; S2-L5 WeakPolarHBondContact O-CB 3.36Å; S2-L5 PolarHBondContact O-N 3.29Å; S2-R6 PolarHBondContact O-N 3.33Å
3A63.1Low60.9Low80 Ų80116.3 Ų116.366%0.66161%0.607SS**Hα-helixtrans-51.6-26.1171.400000112.5R6 S7A3-R6 PolarHBondContact O-N 3.42Å; A3-S7 WeakPolarHBondContact O-CB 3.41Å; A3-S7 PolarHBondContact O-N 3.1Å
4I67.6Low60.1Low118 Ų118111.3 Ų111.361%0.60560%0.597SS**Hα-helixtrans-62.9-39.6173.8-58.7169.6000111.3S2 S7 L8S2-I4 PolarHBondContact O-N 3.25Å; S2-I4 WeakPolarHBondContact OG-CG1 3.31Å; S2-I4 PolarHBondContact OG-N 3.44Å; I4-S7 PolarHBondContact O-N 3.36Å; I4-L8 HydrophobicContact CG2-CD1 4.02Å; I4-L8 WeakPolarHBondContact O-CB 3.27Å; I4-L8 PolarHBondContact O-N 3.49Å
5L62.3Low59.3Low85 Ų85112.1 Ų112.145%0.44560%0.6SS.*Hα-helixtrans-71.2-34.6179.1-158.776.5000111.8M1 S2 F9M1-L5 HydrophobicContact CB-CD2 4.34Å; M1-L5 HydrophobicContact CE-CD2 3.76Å; M1-L5 HydrophobicContact CG-CD2 4.44Å; S2-L5 WeakPolarHBondContact O-CB 3.36Å; S2-L5 PolarHBondContact O-N 3.29Å; L5-F9 WeakPolarHBondContact O-CB 2.98Å; L5-F9 PolarHBondContact O-N 3.11Å
6R66.6Low58.4Low192 Ų192112.9 Ų112.973%0.72560%0.604SS**Hα-helixtrans-70.7-39.5173.6-71.8-175.6175.1-172.3-1.8112S2 A3 F9 L10S2-R6 PolarHBondContact O-N 3.33Å; A3-R6 PolarHBondContact O-N 3.42Å; R6-F9 PolarHBondContact O-N 2.91Å; R6-L10 WeakPolarHBondContact O-CG 3.4Å; R6-L10 PolarHBondContact O-N 3.31Å
7S64.8Low57.6Low69 Ų69111.6 Ų111.648%0.48361%0.606SS.*Hα-helixtrans-66.2-43.1175.1-177.40000111.4A3 I4 F9 L10 V11A3-S7 WeakPolarHBondContact O-CB 3.41Å; A3-S7 PolarHBondContact O-N 3.1Å; I4-S7 PolarHBondContact O-N 3.36Å; S7-F9 VanDerWaalsContact C-N 3.35Å; S7-F9 PolarHBondContact O-N 3.16Å; S7-L10 PolarHBondContact O-N 3.09Å; S7-V11 WeakPolarHBondContact O-CB 3.29Å; S7-V11 VanDerWaalsContact O-CG2 3.25Å; S7-V11 WeakPolarHBondContact O-CG2 3.41Å; S7-V11 PolarHBondContact O-N 3.28Å
8L61.6Low57.1Low109 Ų109112.1 Ų112.157%0.57161%0.613SS**Hα-helixtrans-59.6-41.8171.6-95.8147.3000112.3I4 V11 L12I4-L8 HydrophobicContact CG2-CD1 4.02Å; I4-L8 WeakPolarHBondContact O-CB 3.27Å; I4-L8 PolarHBondContact O-N 3.49Å; L8-V11 PolarHBondContact O-N 3.1Å; L8-L12 VanDerWaalsContact O-CB 3.23Å; L8-L12 WeakPolarHBondContact O-CB 3.31Å; L8-L12 PolarHBondContact O-N 2.96Å
9F59.1Low56.9Low130 Ų130109 Ų10957%0.5761%0.609SS**Hα-helixtrans-65.4-39.9176.8-123-94.5000112.9L5 R6 S7 L12 F13L5-F9 WeakPolarHBondContact O-CB 2.98Å; L5-F9 PolarHBondContact O-N 3.11Å; R6-F9 PolarHBondContact O-N 2.91Å; S7-F9 VanDerWaalsContact C-N 3.35Å; S7-F9 PolarHBondContact O-N 3.16Å; F9-L12 PolarHBondContact O-N 3.39Å; F9-F13 AromaticContact CD1-CD2 3.99Å; F9-F13 HydrophobicContact CD1-CD2 3.99Å; F9-F13 HydrophobicContact CD1-CE2 4.07Å; F9-F13 HydrophobicContact CE1-CD2 4.3Å; F9-F13 AromaticContact CE1-CE2 3.92Å; F9-F13 HydrophobicContact CE1-CE2 3.92Å; F9-F13 WeakPolarHBondContact O-CB 3.23Å; F9-F13 PolarHBondContact O-N 3.42Å
10L60.7Low56.9Low130 Ų130108.3 Ų108.368%0.68162%0.618SS**Hα-helixtrans-70.7-35.9177.3-73.5169000112.4R6 S7 G14R6-L10 WeakPolarHBondContact O-CG 3.4Å; R6-L10 PolarHBondContact O-N 3.31Å; S7-L10 PolarHBondContact O-N 3.09Å; L10-G14 PolarHBondContact O-N 3.49Å
11V59.2Low57.5Low85 Ų85107.5 Ų107.552%0.51561%0.609SS.*Hα-helixtrans-69.8-39.8173.8173.70000110.5S7 L8 G14 L15S7-V11 WeakPolarHBondContact O-CB 3.29Å; S7-V11 VanDerWaalsContact O-CG2 3.25Å; S7-V11 WeakPolarHBondContact O-CG2 3.41Å; S7-V11 PolarHBondContact O-N 3.28Å; L8-V11 PolarHBondContact O-N 3.1Å; V11-G14 PolarHBondContact O-N 2.94Å; V11-L15 HydrophobicContact CG1-CD1 3.95Å; V11-L15 WeakPolarHBondContact O-CB 3.39Å; V11-L15 WeakPolarHBondContact O-CD1 3.47Å; V11-L15 PolarHBondContact O-N 2.88Å
12L54.3Low59.2Low103 Ų103101 Ų10154%0.53958%0.581SS.*Hα-helixtrans-66.4-39.3176.1-158.176.6000112L8 F9 L16L8-L12 VanDerWaalsContact O-CB 3.23Å; L8-L12 WeakPolarHBondContact O-CB 3.31Å; L8-L12 PolarHBondContact O-N 2.96Å; F9-L12 PolarHBondContact O-N 3.39Å; L12-L16 WeakPolarHBondContact O-CD1 3.25Å; L12-L16 VanDerWaalsContact O-CG 3.29Å; L12-L16 WeakPolarHBondContact O-CG 3.29Å; L12-L16 PolarHBondContact O-N 3.24Å
13F53.2Low60.5Low136 Ų136103.5 Ų103.560%0.59659%0.585SS**Hα-helixtrans-72-33.4172.2-101-90.2000113F9 L15 L16 S17F9-F13 AromaticContact CD1-CD2 3.99Å; F9-F13 HydrophobicContact CD1-CD2 3.99Å; F9-F13 HydrophobicContact CD1-CE2 4.07Å; F9-F13 HydrophobicContact CE1-CD2 4.3Å; F9-F13 AromaticContact CE1-CE2 3.92Å; F9-F13 HydrophobicContact CE1-CE2 3.92Å; F9-F13 WeakPolarHBondContact O-CB 3.23Å; F9-F13 PolarHBondContact O-N 3.42Å; F13-L15 VanDerWaalsContact C-N 3.35Å; F13-L16 PolarHBondContact O-N 2.93Å; F13-S17 PolarHBondContact O-N 3.4Å
14G50.4Low62.1Low46 Ų46101.4 Ų101.447%0.47456%0.562SS.*Hα-helixtrans-63.8-39.2173.400000112.5L10 V11 L16 S17L10-G14 PolarHBondContact O-N 3.49Å; V11-G14 PolarHBondContact O-N 2.94Å; G14-L16 VanDerWaalsContact C-N 3.31Å; G14-L16 PolarHBondContact O-N 3.16Å; G14-S17 PolarHBondContact O-N 3.33Å; G14-S17 PolarHBondContact O-OG 2.94Å
15L47.2Very low63.4Low123 Ų123101 Ų10164%0.64456%0.556SS**Hα-helixtrans-71.6-20.2174.2-86151000114V11 F13V11-L15 HydrophobicContact CG1-CD1 3.95Å; V11-L15 WeakPolarHBondContact O-CB 3.39Å; V11-L15 WeakPolarHBondContact O-CD1 3.47Å; V11-L15 PolarHBondContact O-N 2.88Å; F13-L15 VanDerWaalsContact C-N 3.35Å
16L45.2Very low65.1Low126 Ų126100.3 Ų100.366%0.6655%0.549SS*.THydrogen-bonded Turntrans-90.50.2177.5-73.4166.7000113.8L12 F13 G14 V18L12-L16 WeakPolarHBondContact O-CD1 3.25Å; L12-L16 VanDerWaalsContact O-CG 3.29Å; L12-L16 WeakPolarHBondContact O-CG 3.29Å; L12-L16 PolarHBondContact O-N 3.24Å; F13-L16 PolarHBondContact O-N 2.93Å; G14-L16 VanDerWaalsContact C-N 3.31Å; G14-L16 PolarHBondContact O-N 3.16Å; L16-V18 PolarHBondContact O-N 2.99Å
17S45Very low66.5Low91 Ų9193.7 Ų93.764%0.63653%0.53SS*.  trans-8827.4174.2730000113.7F13 G14 G19F13-S17 PolarHBondContact O-N 3.4Å; G14-S17 PolarHBondContact O-N 3.33Å; G14-S17 PolarHBondContact O-OG 2.94Å; S17-G19 VanDerWaalsContact C-N 3.3Å; S17-G19 PolarHBondContact O-N 2.66Å
18V48.9Very low68.1Low120 Ų12093 Ų9373%0.72752%0.523SS*.  trans-64.6101159.9179.90000105.6L16 A20L16-V18 PolarHBondContact O-N 2.99Å; V18-A20 PolarHBondContact O-N 3.3Å
19G52.8Low69.7Low53 Ų5389.7 Ų89.755%0.54652%0.515SS..  trans-49.8119.1172.400000107.9S17 Q21S17-G19 VanDerWaalsContact C-N 3.3Å; S17-G19 PolarHBondContact O-N 2.66Å; G19-Q21 VanDerWaalsContact C-N 3.35Å; G19-Q21 PolarHBondContact O-N 2.89Å
20A57Low71.4Confident94 Ų9487.1 Ų87.178%0.77751%0.507SS*.  trans-62.897.6-178.600000108.6V18 T22V18-A20 PolarHBondContact O-N 3.3Å; A20-T22 PolarHBondContact O-N 3.47Å
21Q70.2Confident73.1Confident93 Ų9385.3 Ų85.344%0.43550%0.498SS..PPolyproline II helixtrans-65.7121.2170.6-173.4171.73.600107.2G19 E23 D108 Q123 N125G19-Q21 VanDerWaalsContact C-N 3.35Å; G19-Q21 PolarHBondContact O-N 2.89Å; Q21-E23 PolarHBondContact O-N 2.83Å; Q21-D108 PolarHBondContact NE2-OD1 3.47Å; Q21-Q123 HydrophobicContact CG-CG 4.2Å; Q21-Q123 VanDerWaalsContact NE2-NE2 3.14Å; Q21-N125 HydrophobicContact CG-CB 4.29Å
22T87.9Confident74.9Confident71 Ų7181.3 Ų81.344%0.43647%0.474SS..EExtended strand (participates in β ladder)trans-79.3116.9-178.1-59.50000108.7A20 Q123 V124 N125A20-T22 PolarHBondContact O-N 3.47Å; T22-Q123 PolarHBondContact N-O 3.2Å; T22-V124 CarbonylContact O-C 3.51Å; T22-V124 VanDerWaalsContact O-CA 3.27Å; T22-V124 WeakPolarHBondContact O-CA 3.36Å; T22-V124 WeakPolarHBondContact O-CG1 3.43Å; T22-N125 PolarHBondContact O-N 2.84Å
23E94.4Very high77Confident119 Ų11979.7 Ų79.756%0.55647%0.468SS*.EExtended strand (participates in β ladder)trans-87.6133172.6-171.9-179113.800110.2Q21 K25 N125 I127Q21-E23 PolarHBondContact O-N 2.83Å; E23-K25 WeakPolarHBondContact OE1-CE 3.35Å; E23-N125 CarbonylContact C-O 3.55Å; E23-N125 WeakPolarHBondContact CA-O 3.21Å; E23-I127 HydrophobicContact CG-CD1 3.77Å; E23-I127 HydrophobicContact CG-CG1 4.42Å
24M95.2Very high79.1Confident36 Ų3673.2 Ų73.218%0.17744%0.44CS..EExtended strand (participates in β ladder)trans-130.6118.4178-172.7-179.2-5700109.9K26 L34 V124 N125 L126 I127M24-K26 HydrophobicContact CG-CG 4.27Å; M24-K26 HydrophobicContact SD-CG 4.4Å; M24-L34 HydrophobicContact CE-CD2 4.08Å; M24-L34 HydrophobicContact SD-CD2 3.81Å; M24-V124 HydrophobicContact CB-CG1 4.13Å; M24-V124 HydrophobicContact CE-CG1 4.29Å; M24-N125 PolarHBondContact N-O 3.38Å; M24-L126 HydrophobicContact CB-CD1 4.41Å; M24-L126 HydrophobicContact CG-CD1 4.38Å; M24-L126 WeakPolarHBondContact O-CA 3.34Å; M24-L126 HydrophobicContact SD-CD1 4.44Å; M24-I127 PolarHBondContact O-N 3Å
25K95.8Very high81.2Confident111 Ų11173.3 Ų73.348%0.48343%0.432SS..EExtended strand (participates in β ladder)trans-97.5132.5174.1-64.8-177.3177.7-172.50110.7E23 I127 L129E23-K25 WeakPolarHBondContact OE1-CE 3.35Å; K25-I127 CarbonylContact C-O 3.57Å; K25-I127 WeakPolarHBondContact CA-O 3.29Å; K25-I127 HydrophobicContact CG-CB 4.2Å; K25-I127 HydrophobicContact CG-CD1 4.44Å; K25-L129 HydrophobicContact CB-CD1 4.4Å; K25-L129 HydrophobicContact CD-CD1 4.25Å
26K97.1Very high83.6Confident70 Ų7067.5 Ų67.530%0.30440%0.402SS..EExtended strand (participates in β ladder)trans-139.1162.8178.3-71.7-66.6-175169.40111M24 A32 L101 L126 I127 V128 L129M24-K26 HydrophobicContact CG-CG 4.27Å; M24-K26 HydrophobicContact SD-CG 4.4Å; K26-A32 HydrophobicContact CG-CB 4.21Å; K26-L101 HydrophobicContact CB-CD1 3.46Å; K26-L101 VanDerWaalsContact CB-CD1 3.46Å; K26-L101 HydrophobicContact CG-CD1 4.02Å; K26-L126 HydrophobicContact CB-CD1 4.32Å; K26-L126 HydrophobicContact CG-CD1 4.09Å; K26-I127 PolarHBondContact N-O 3.16Å; K26-V128 CarbonylContact O-C 3.56Å; K26-V128 WeakPolarHBondContact O-CA 3.38Å; K26-L129 PolarHBondContact O-N 3.44Å
27V97.1Very high86Confident52 Ų5267 Ų6732%0.31540%0.396SS..EExtended strand (participates in β ladder)trans-100148.3179.8-1750000109.9G29 D30 L129 V214V27-G29 PolarHBondContact O-N 3.32Å; V27-D30 WeakPolarHBondContact O-CB 3.34Å; V27-D30 PolarHBondContact O-N 2.95Å; V27-D30 VanDerWaalsContact O-N 3.16Å; V27-L129 CarbonylContact C-O 3.53Å; V27-L129 VanDerWaalsContact CA-O 3.27Å; V27-L129 WeakPolarHBondContact CA-O 3.28Å; V27-V214 HydrophobicContact CB-CG1 4.41Å; V27-V214 HydrophobicContact CG1-CG1 3.63Å; V27-V214 HydrophobicContact CG2-CG1 3.83Å; V27-V214 HydrophobicContact CG2-CG2 4.34Å
28V96.9Very high88.3Confident56 Ų5663.1 Ų63.134%0.33937%0.368SS..THydrogen-bonded Turntrans-52.4136.2171171.70000110.6D30 L101 L103 V128 L129 E130V28-D30 VanDerWaalsContact C-N 3.28Å; V28-D30 PolarHBondContact O-N 3.28Å; V28-L101 CarbonylContact C-O 3.46Å; V28-L101 WeakPolarHBondContact CA-O 3.45Å; V28-L101 WeakPolarHBondContact CG1-O 3.49Å; V28-L103 HydrophobicContact CG2-CD2 3.63Å; V28-L103 HydrophobicContact CG2-CG 3.82Å; V28-V128 HydrophobicContact CB-CG1 4.48Å; V28-V128 HydrophobicContact CG2-CG1 3.71Å; V28-L129 PolarHBondContact N-O 3.5Å; V28-E130 HydrophobicContact CB-CB 4.49Å; V28-E130 HydrophobicContact CG2-CB 3.9Å
29G95.2Very high90.4Very high39 Ų3966.8 Ų66.840%0.40238%0.377SS..THydrogen-bonded Turntrans84-13.4-178.100000115.1V27 L101V27-G29 PolarHBondContact O-N 3.32Å; G29-L101 PolarHBondContact N-O 2.94Å
30D96.3Very high92.3Very high76 Ų7665.8 Ų65.841%0.40636%0.357SS..SBendtrans-73.1170.3172.3-75.4-15.6000111.4V27 V28 D100 L101V27-D30 WeakPolarHBondContact O-CB 3.34Å; V27-D30 PolarHBondContact O-N 2.95Å; V27-D30 VanDerWaalsContact O-N 3.16Å; V28-D30 VanDerWaalsContact C-N 3.28Å; V28-D30 PolarHBondContact O-N 3.28Å; D30-D100 PolarHBondContact O-N 3.35Å; D30-L101 HydrophobicContact CB-CD1 4.23Å; D30-L101 WeakPolarHBondContact O-CB 3.48Å; D30-L101 WeakPolarHBondContact O-CD1 3.18Å; D30-L101 WeakPolarHBondContact O-CG 3.45Å; D30-L101 PolarHBondContact O-N 2.87Å
31N96.6Very high93.7Very high92 Ų9265 Ų6549%0.49234%0.344SS..  trans-100.6138.8166.6-61.8-15.4000110.4L97 I98 S99 D100N31-L97 HydrophobicContact CB-CD1 4.22Å; N31-I98 CarbonylContact C-O 3.57Å; N31-I98 WeakPolarHBondContact CA-O 3.38Å; N31-S99 VanDerWaalsContact OD1-CA 3.25Å; N31-S99 WeakPolarHBondContact OD1-CA 3.29Å; N31-D100 PolarHBondContact OD1-N 3.19Å
32A96.9Very high94.3Very high0 Ų063.5 Ų63.50%035%0.348CS..EExtended strand (participates in β ladder)trans-111.9136.2172.500000111.3K26 L34 L97 I98 L101 L126K26-A32 HydrophobicContact CG-CB 4.21Å; A32-L34 HydrophobicContact CB-CD2 4.23Å; A32-L97 CarbonylContact O-C 3.55Å; A32-L97 WeakPolarHBondContact O-CA 3.32Å; A32-I98 PolarHBondContact N-O 3.04Å; A32-I98 PolarHBondContact O-N 3.45Å; A32-L101 HydrophobicContact CB-CD1 3.81Å; A32-L101 HydrophobicContact CB-CD2 4.02Å; A32-L101 HydrophobicContact CB-CG 4.32Å; A32-L126 HydrophobicContact CB-CD1 4.26Å; A32-L126 HydrophobicContact CB-CD2 4.5Å
33T97.4Very high94Very high69 Ų6965.6 Ų65.642%0.42337%0.366SS..EExtended strand (participates in β ladder)trans-114.4108.6168.1-56.30000109A86 L96T33-A86 HydrophobicContact CG2-CB 3.52Å; T33-L96 CarbonylContact C-O 3.5Å; T33-L96 VanDerWaalsContact CA-O 3.24Å; T33-L96 WeakPolarHBondContact CA-O 3.26Å
34L97Very high93.5Very high0 Ų061.1 Ų61.10%035%0.348CS..EExtended strand (participates in β ladder)trans-87.3119.3179.8-48.1-171.3000109.2M24 A32 W50 S95 L96 I98 Y109 V124 L126M24-L34 HydrophobicContact CE-CD2 4.08Å; M24-L34 HydrophobicContact SD-CD2 3.81Å; A32-L34 HydrophobicContact CB-CD2 4.23Å; L34-W50 HydrophobicContact CB-CH2 3.55Å; L34-W50 HydrophobicContact CB-CZ2 4.25Å; L34-W50 HydrophobicContact CB-CZ3 3.99Å; L34-W50 HydrophobicContact CD1-CH2 4.48Å; L34-W50 HydrophobicContact CD1-CZ3 4.07Å; L34-W50 WeakPolarHBondContact O-CZ2 3.49Å; L34-S95 CarbonylContact O-C 3.57Å; L34-S95 WeakPolarHBondContact O-CA 3.21Å; L34-S95 VanDerWaalsContact O-CB 3.27Å; L34-S95 WeakPolarHBondContact O-CB 3.34Å; L34-L96 HydrophobicContact CB-CB 4.27Å; L34-L96 HydrophobicContact CD1-CD2 4.12Å; L34-L96 PolarHBondContact N-O 3.19Å; L34-L96 PolarHBondContact O-N 2.89Å; L34-I98 HydrophobicContact CD1-CD1 4.19Å; L34-Y109 HydrophobicContact CD1-CD1 3.59Å; L34-Y109 HydrophobicContact CD1-CD2 3.8Å; L34-Y109 HydrophobicContact CD1-CE1 4.17Å; L34-Y109 HydrophobicContact CD1-CE2 4.39Å; L34-Y109 HydrophobicContact CD1-CG 3.37Å; L34-V124 HydrophobicContact CB-CG2 4.47Å; L34-V124 HydrophobicContact CD2-CG1 4.12Å; L34-L126 HydrophobicContact CD2-CD1 4.24Å; L34-L126 HydrophobicContact CD2-CD2 4.41Å
35P96.3Very high93.3Very high49 Ų4964.7 Ų64.732%0.31837%0.374SS..  trans-71.3134.1-171.327.5-35.4000112.5S95 S122 V124P35-S95 WeakPolarHBondContact CA-OG 3.34Å; P35-S122 PolarHBondContact O-OG 2.9Å; P35-V124 HydrophobicContact CG-CG2 4.48Å
36C96Very high93.1Very high1 Ų159.9 Ų59.91%0.00735%0.353CS..  trans-148.1105.7167.5-176.90000110.4W50 A94 S95 C111C36-W50 HydrophobicContact CB-CH2 4.21Å; C36-W50 HydrophobicContact CB-CZ2 3.53Å; C36-A94 HydrophobicContact CB-CB 4.32Å; C36-A94 CarbonylContact O-C 3.52Å; C36-A94 WeakPolarHBondContact O-CA 3.31Å; C36-A94 PolarHBondContact O-N 2.92Å; C36-S95 PolarHBondContact N-OG 3.06Å; C36-S95 PolarHBondContact O-N 3.28Å; C36-C111 HydrophobicContact CB-CB 3.6Å; C36-C111 WeakPolarHBondContact CB-SG 3.49Å; C36-C111 WeakPolarHBondContact SG-CB 3.32Å; C36-C111 CovalentContact SG-SG 2.04Å; C36-C111 PolarHBondContact SG-SG 3.25Å
37H95.6Very high93Very high114 Ų11457.9 Ų57.953%0.52835%0.346SS..BIsolated β-bridgetrans-116.2124.2-178.2-59.2-66.6000110.9G92 D93 H120H37-G92 CarbonylContact C-O 3.59Å; H37-G92 VanDerWaalsContact CA-O 3.26Å; H37-G92 WeakPolarHBondContact CA-O 3.29Å; H37-D93 VanDerWaalsContact CE1-CG 3.48Å; H37-D93 IonicContact CE1-OD1 3.7Å; H37-D93 PolarHBondContact CE1-OD1 3.07Å; H37-D93 VanDerWaalsContact CE1-OD1 3.27Å; H37-D93 IonicContact CE1-OD2 2.74Å; H37-D93 IonicContact ND1-OD1 3.58Å; H37-D93 PolarHBondContact ND1-OD1 2.77Å; H37-H120 PolarHBondContact O-CE1 2.87Å; H37-H120 PolarHBondContact O-NE2 3.48Å; H37-H120 VanDerWaalsContact O-NE2 3.17Å
38H93.8Very high93Very high10 Ų1055.4 Ų55.45%0.04633%0.331CS..  trans-118.4155.8178.967.876.1000112F40 Y89 G92 V113 H120H38-F40 HydrophobicContact CB-CD2 3.89Å; H38-F40 HydrophobicContact CB-CE2 4.3Å; H38-F40 AromaticContact CG-CD2 3.94Å; H38-F40 AromaticContact ND1-CD2 3.83Å; H38-F40 PolarHBondContact ND1-N 3.08Å; H38-Y89 PolarHBondContact NE2-O 3.06Å; H38-G92 PolarHBondContact N-O 3.25Å; H38-G92 WeakPolarHBondContact O-CA 3.28Å; H38-V113 HydrophobicContact CB-CG1 4.43Å; H38-H120 HydrophobicContact CB-CB 4.26Å
39Q93.3Very high92.9Very high198 Ų19854.7 Ų54.793%0.92532%0.323SS*.  trans-105.317.9-178.6-61.5176.313.500112.7
40F92.4Very high93Very high31 Ų3152.8 Ų52.814%0.13630%0.304CS..  trans-73.1142.7177-59.1-52.3000112.5H38 L46 V113 T115 K118 H120H38-F40 HydrophobicContact CB-CD2 3.89Å; H38-F40 HydrophobicContact CB-CE2 4.3Å; H38-F40 AromaticContact CG-CD2 3.94Å; H38-F40 AromaticContact ND1-CD2 3.83Å; H38-F40 PolarHBondContact ND1-N 3.08Å; F40-L46 HydrophobicContact CB-CD2 3.79Å; F40-L46 HydrophobicContact CD2-CD2 3.88Å; F40-L46 HydrophobicContact CG-CD2 4.16Å; F40-V113 HydrophobicContact CD2-CB 4.4Å; F40-V113 HydrophobicContact CD2-CG1 3.59Å; F40-V113 HydrophobicContact CE2-CB 4.09Å; F40-V113 HydrophobicContact CE2-CG1 3.72Å; F40-T115 HydrophobicContact CB-CG2 3.89Å; F40-T115 HydrophobicContact CD1-CG2 3.26Å; F40-T115 HydrophobicContact CD2-CG2 3.7Å; F40-T115 HydrophobicContact CE1-CG2 3.59Å; F40-T115 HydrophobicContact CE2-CG2 3.97Å; F40-T115 HydrophobicContact CG-CG2 3.32Å; F40-T115 HydrophobicContact CZ-CG2 3.92Å; F40-K118 HydrophobicContact CE1-CB 3.63Å; F40-K118 HydrophobicContact CE1-CD 4.17Å; F40-K118 HydrophobicContact CZ-CB 3.99Å; F40-H120 HydrophobicContact CE2-CB 3.66Å; F40-H120 HydrophobicContact CZ-CB 3.99Å
41P87Confident92.9Very high77 Ų7749.7 Ų49.750%0.529%0.288SS..  trans-63.4140.1176.2-2030.6000112.3S43 S44P41-S43 PolarHBondContact O-N 3.37Å; P41-S43 VanDerWaalsContact O-N 3.13Å; P41-S44 WeakPolarHBondContact CD-OG 3.31Å; P41-S44 VanDerWaalsContact O-CB 3.26Å; P41-S44 WeakPolarHBondContact O-CB 3.33Å; P41-S44 PolarHBondContact O-N 2.92Å; P41-S44 PolarHBondContact O-OG 3.49Å
42A82.8Confident92.8Very high63 Ų6346.3 Ų46.352%0.52127%0.27SS..THydrogen-bonded Turntrans-59.8-24.118000000114.6S44 L90A42-S44 PolarHBondContact O-N 2.85Å; A42-L90 VanDerWaalsContact CA-O 3.24Å; A42-L90 WeakPolarHBondContact CA-O 3.38Å; A42-L90 VanDerWaalsContact CB-O 3.28Å; A42-L90 WeakPolarHBondContact CB-O 3.46Å
43S81.6Confident92.7Very high115 Ų11549 Ų4980%0.80428%0.282SS*.THydrogen-bonded Turntrans-78.8-3.6176.662.90000113.9P41P41-S43 PolarHBondContact O-N 3.37Å; P41-S43 VanDerWaalsContact O-N 3.13Å
44S83.9Confident92.4Very high25 Ų2549.3 Ų49.318%0.17528%0.278CS..SBendtrans-83.5147.4-175.3-43.70000111.1P41 A42 L46 T115P41-S44 WeakPolarHBondContact CD-OG 3.31Å; P41-S44 VanDerWaalsContact O-CB 3.26Å; P41-S44 WeakPolarHBondContact O-CB 3.33Å; P41-S44 PolarHBondContact O-N 2.92Å; P41-S44 PolarHBondContact O-OG 3.49Å; A42-S44 PolarHBondContact O-N 2.85Å; S44-L46 PolarHBondContact O-N 3.02Å; S44-T115 WeakPolarHBondContact CB-OG1 3.33Å
45P89.8Confident91.9Very high111 Ų11154.3 Ų54.372%0.72131%0.31SS*.  trans-7291.3173.530.1-33.6000109.8
46L93Very high91.5Very high9 Ų960.5 Ų60.55%0.04734%0.34CS..  trans-81.5136.7-179.4-67166.7000111.3F40 S44 I48 F65 L90 V113 K114 T115F40-L46 HydrophobicContact CB-CD2 3.79Å; F40-L46 HydrophobicContact CD2-CD2 3.88Å; F40-L46 HydrophobicContact CG-CD2 4.16Å; S44-L46 PolarHBondContact O-N 3.02Å; L46-I48 HydrophobicContact CB-CG1 4.42Å; L46-F65 HydrophobicContact CB-CE1 4.46Å; L46-L90 HydrophobicContact CD1-CD2 4.03Å; L46-V113 HydrophobicContact CD2-CG1 3.78Å; L46-K114 WeakPolarHBondContact CA-O 3.08Å; L46-T115 HydrophobicContact CD2-CG2 4.11Å
47D94.9Very high91.1Very high28 Ų2863.6 Ų63.615%0.1536%0.362CS..EExtended strand (participates in β ladder)trans-117.6114.7165.5169.834.7000107.6F66 V113 K114D47-F66 HydrophobicContact CB-CD2 4.17Å; D47-V113 CarbonylContact O-C 3.58Å; D47-V113 WeakPolarHBondContact O-CA 3.34Å; D47-K114 HydrophobicContact CB-CB 4.25Å; D47-K114 PolarHBondContact N-O 3.29Å; D47-K114 PolarHBondContact O-N 3.28Å; D47-K114 WeakPolarHBondContact OD2-CD 3.37Å; D47-K114 IonicContact OD2-NZ 3.49Å; D47-K114 PolarHBondContact OD2-NZ 3.36Å
48I95.9Very high90.8Very high0 Ų067.3 Ų67.30%038%0.377CS..EExtended strand (participates in β ladder)trans-118.1125.8-175.6-54.1169.7000108.7L46 T64 F65 F85 Y89 A94 K112 V113L46-I48 HydrophobicContact CB-CG1 4.42Å; I48-T64 CarbonylContact O-C 3.56Å; I48-T64 WeakPolarHBondContact O-CA 3.33Å; I48-F65 HydrophobicContact CB-CB 4.15Å; I48-F65 HydrophobicContact CD1-CD1 4.13Å; I48-F65 HydrophobicContact CG1-CD1 4.35Å; I48-F65 PolarHBondContact N-O 3.09Å; I48-F65 PolarHBondContact O-N 2.87Å; I48-F85 HydrophobicContact CB-CZ 4.44Å; I48-F85 HydrophobicContact CG2-CE1 3.79Å; I48-F85 HydrophobicContact CG2-CZ 4Å; I48-Y89 HydrophobicContact CD1-CD2 4.15Å; I48-Y89 HydrophobicContact CD1-CG 4.39Å; I48-A94 HydrophobicContact CD1-CB 4.09Å; I48-A94 HydrophobicContact CG2-CB 4.06Å; I48-K112 CarbonylContact C-O 3.57Å; I48-K112 WeakPolarHBondContact CA-O 3.39Å; I48-V113 HydrophobicContact CG1-CG1 4.02Å; I48-V113 HydrophobicContact CG1-CG2 4.22Å; I48-V113 HydrophobicContact CG2-CG2 4.16Å
49E95.7Very high90.6Very high41 Ų4170.5 Ų70.519%0.19239%0.392CS..EExtended strand (participates in β ladder)trans-127.8129.8178.2-63.1170.8150.100109.7L51 T64 K112 K114E49-L51 HydrophobicContact CB-CD1 4.04Å; E49-T64 HydrophobicContact CG-CG2 4.04Å; E49-K112 HydrophobicContact CB-CB 4.46Å; E49-K112 PolarHBondContact N-O 3.48Å; E49-K112 PolarHBondContact O-N 3.47Å; E49-K114 VanDerWaalsContact CD-NZ 3.31Å; E49-K114 IonicContact OE1-NZ 3.17Å; E49-K114 PolarHBondContact OE1-NZ 2.96Å; E49-K114 IonicContact OE2-NZ 2.98Å; E49-K114 PolarHBondContact OE2-NZ 2.94Å
50W96.2Very high90.5Very high0 Ų066.9 Ų66.90%037%0.373CS..EExtended strand (participates in β ladder)trans-101.4131.7161.3-82.992.1000109.7L34 C36 I62 I63 F85 A94 L96 Y109 S110 C111L34-W50 HydrophobicContact CB-CH2 3.55Å; L34-W50 HydrophobicContact CB-CZ2 4.25Å; L34-W50 HydrophobicContact CB-CZ3 3.99Å; L34-W50 HydrophobicContact CD1-CH2 4.48Å; L34-W50 HydrophobicContact CD1-CZ3 4.07Å; L34-W50 WeakPolarHBondContact O-CZ2 3.49Å; C36-W50 HydrophobicContact CB-CH2 4.21Å; C36-W50 HydrophobicContact CB-CZ2 3.53Å; W50-I62 HydrophobicContact CB-CD1 4.19Å; W50-I62 HydrophobicContact CB-CG1 3.89Å; W50-I62 VanDerWaalsContact O-CG1 3.25Å; W50-I62 WeakPolarHBondContact O-CG1 3.21Å; W50-I62 PolarHBondContact O-N 3.09Å; W50-I63 HydrophobicContact CB-CG2 3.65Å; W50-I63 HydrophobicContact CG-CG2 4.14Å; W50-I63 PolarHBondContact N-O 2.97Å; W50-F85 AromaticContact CD1-CE1 3.95Å; W50-A94 PolarHBondContact NE1-O 3.27Å; W50-L96 HydrophobicContact CB-CD2 4.32Å; W50-L96 HydrophobicContact CD2-CB 3.77Å; W50-L96 HydrophobicContact CD2-CD2 3.93Å; W50-L96 HydrophobicContact CD2-CG 4.41Å; W50-L96 VanDerWaalsContact CE2-CB 3.45Å; W50-L96 HydrophobicContact CE3-CB 4.32Å; W50-L96 HydrophobicContact CE3-CD2 4.02Å; W50-L96 HydrophobicContact CG-CB 4.14Å; W50-L96 HydrophobicContact CG-CD2 4.09Å; W50-L96 HydrophobicContact CG-CG 4.5Å; W50-L96 HydrophobicContact CH2-CB 4.25Å; W50-L96 HydrophobicContact CZ2-CB 3.69Å; W50-Y109 HydrophobicContact CE3-CD1 4.43Å; W50-S110 WeakPolarHBondContact CA-O 3.24Å; W50-C111 HydrophobicContact CD2-CB 4.06Å; W50-C111 HydrophobicContact CE3-CB 4.19Å; W50-C111 HydrophobicContact CH2-CB 3.85Å; W50-C111 HydrophobicContact CZ2-CB 3.69Å; W50-C111 HydrophobicContact CZ3-CB 4.09Å
51L94.9Very high90.6Very high11 Ų1168.1 Ų68.16%0.05838%0.383CS..EExtended strand (participates in β ladder)trans-123.3131.8-178.4-52.698.4000110.5E49 Q59 K60 V61 Y109 S110 K112E49-L51 HydrophobicContact CB-CD1 4.04Å; L51-Q59 HydrophobicContact CB-CG 3.54Å; L51-Q59 HydrophobicContact CD2-CG 3.72Å; L51-Q59 HydrophobicContact CG-CG 4.27Å; L51-K60 CarbonylContact C-O 3.47Å; L51-K60 VanDerWaalsContact CA-O 3.3Å; L51-K60 WeakPolarHBondContact CA-O 3.33Å; L51-V61 HydrophobicContact CD2-CG2 3.8Å; L51-V61 HydrophobicContact CG-CG2 4.18Å; L51-Y109 CarbonylContact O-C 3.55Å; L51-Y109 VanDerWaalsContact O-CA 3.31Å; L51-Y109 WeakPolarHBondContact O-CA 3.37Å; L51-S110 PolarHBondContact N-O 3.41Å; L51-S110 PolarHBondContact O-N 2.86Å; L51-K112 HydrophobicContact CD1-CB 4.28Å; L51-K112 HydrophobicContact CD1-CD 3.58Å; L51-K112 HydrophobicContact CD1-CG 3.77Å
52L94.4Very high90.9Very high21 Ų2164.9 Ų64.911%0.1136%0.361CS..EExtended strand (participates in β ladder)trans-99.2127173174.358000109.9K54 K60 I62 Y109L52-K54 HydrophobicContact CD1-CG 4.4Å; L52-K54 HydrophobicContact CD2-CG 4.35Å; L52-K54 HydrophobicContact CG-CG 4.21Å; L52-K60 PolarHBondContact N-O 2.9Å; L52-K60 PolarHBondContact O-N 3.4Å; L52-I62 HydrophobicContact CB-CD1 4.46Å; L52-I62 HydrophobicContact CB-CG2 3.69Å; L52-I62 HydrophobicContact CD2-CG2 4.47Å; L52-Y109 HydrophobicContact CB-CE1 4.39Å; L52-Y109 HydrophobicContact CD1-CD1 4.45Å; L52-Y109 HydrophobicContact CD1-CD2 3.99Å; L52-Y109 HydrophobicContact CD1-CE1 4.11Å; L52-Y109 HydrophobicContact CD1-CE2 3.57Å; L52-Y109 HydrophobicContact CD1-CG 4.4Å
53Q94.2Very high91.4Very high57 Ų5761.9 Ų61.927%0.26634%0.337SS..EExtended strand (participates in β ladder)trans-115.6108.8173.4176.761.165.300108.2S57 Q59 D108Q53-S57 PolarHBondContact NE2-O 3.49Å; Q53-Q59 VanDerWaalsContact OE1-CA 3.3Å; Q53-Q59 VanDerWaalsContact OE1-CB 3.3Å; Q53-D108 HydrophobicContact CB-CB 4.1Å; Q53-D108 PolarHBondContact N-O 3.27Å; Q53-D108 PolarHBondContact O-N 3.46Å
54K91.4Very high92Very high75 Ų7557.6 Ų57.633%0.32631%0.305SS..  trans-87.2157.3173-69.3-169.9174.2-170.10110.9L52 N56 S57 T104L52-K54 HydrophobicContact CD1-CG 4.4Å; L52-K54 HydrophobicContact CD2-CG 4.35Å; L52-K54 HydrophobicContact CG-CG 4.21Å; K54-N56 PolarHBondContact O-N 3.27Å; K54-S57 PolarHBondContact O-N 2.92Å; K54-T104 WeakPolarHBondContact CE-O 3.07Å; K54-T104 PolarHBondContact NZ-O 2.9Å
55P87.4Confident92.5Very high105 Ų10557 Ų5768%0.68230%0.299SS*.THydrogen-bonded Turntrans-51.6133169.7-24.734000110.8S57P55-S57 PolarHBondContact O-N 3.28Å; P55-S57 PolarHBondContact O-OG 3Å
56N87.1Confident92.6Very high178 Ų17857.5 Ų57.595%0.95229%0.291SS*.THydrogen-bonded Turntrans57.214.4177.5-55.2-34.8000116.3K54K54-N56 PolarHBondContact O-N 3.27Å
57S88.4Confident92.3Very high67 Ų6760.3 Ų60.347%0.46932%0.322SS..SBendtrans-109.4170.5177.5-61.30000110.8Q53 K54 P55Q53-S57 PolarHBondContact NE2-O 3.49Å; K54-S57 PolarHBondContact O-N 2.92Å; P55-S57 PolarHBondContact O-N 3.28Å; P55-S57 PolarHBondContact O-OG 3Å
58K88.8Confident91.9Very high192 Ų19261.8 Ų61.884%0.83534%0.343SS*.  trans-83.8153.8167.2-66.5-175.8-179.6-179.70110K60K58-K60 PolarHBondContact O-N 3.45Å
59Q90.5Very high91.6Very high77 Ų7767.2 Ų67.236%0.3637%0.369SS..  trans-61.3129.7173.4-170.4165.152.500110.1L51 Q53 S110L51-Q59 HydrophobicContact CB-CG 3.54Å; L51-Q59 HydrophobicContact CD2-CG 3.72Å; L51-Q59 HydrophobicContact CG-CG 4.27Å; Q53-Q59 VanDerWaalsContact OE1-CA 3.3Å; Q53-Q59 VanDerWaalsContact OE1-CB 3.3Å; Q59-S110 PolarHBondContact NE2-OG 2.87Å
60K90.9Very high91.4Very high121 Ų12168.4 Ų68.453%0.52638%0.379SS..EExtended strand (participates in β ladder)trans-118.6131.1179.5-167.6-169.8-174.8-156.30109.8L51 L52 K58 N73L51-K60 CarbonylContact C-O 3.47Å; L51-K60 VanDerWaalsContact CA-O 3.3Å; L51-K60 WeakPolarHBondContact CA-O 3.33Å; L52-K60 PolarHBondContact N-O 2.9Å; L52-K60 PolarHBondContact O-N 3.4Å; K58-K60 PolarHBondContact O-N 3.45Å; K60-N73 WeakPolarHBondContact CD-ND2 3.18Å; K60-N73 WeakPolarHBondContact CE-ND2 3.47Å; K60-N73 PolarHBondContact NZ-ND2 3.46Å
61V93.6Very high91.1Very high57 Ų5773.9 Ų73.935%0.34540%0.4SS..EExtended strand (participates in β ladder)trans-71.6128.8170.3-177.10000108.9L51 T64 N73L51-V61 HydrophobicContact CD2-CG2 3.8Å; L51-V61 HydrophobicContact CG-CG2 4.18Å; V61-T64 WeakPolarHBondContact CG1-OG1 3.43Å; V61-N73 PolarHBondContact O-ND2 2.89Å
62I93.1Very high90.8Very high9 Ų976 Ų765%0.04641%0.414CS..EExtended strand (participates in β ladder)trans-108.6-36.4-175.455.6164.7000113.4W50 L52 N73 L83 L96 Y109W50-I62 HydrophobicContact CB-CD1 4.19Å; W50-I62 HydrophobicContact CB-CG1 3.89Å; W50-I62 VanDerWaalsContact O-CG1 3.25Å; W50-I62 WeakPolarHBondContact O-CG1 3.21Å; W50-I62 PolarHBondContact O-N 3.09Å; L52-I62 HydrophobicContact CB-CD1 4.46Å; L52-I62 HydrophobicContact CB-CG2 3.69Å; L52-I62 HydrophobicContact CD2-CG2 4.47Å; I62-N73 WeakPolarHBondContact CA-ND2 3.2Å; I62-N73 PolarHBondContact O-N 3.46Å; I62-N73 PolarHBondContact O-OD1 3.37Å; I62-L83 HydrophobicContact CB-CD1 3.94Å; I62-L83 HydrophobicContact CD1-CD1 4.41Å; I62-L96 HydrophobicContact CD1-CD2 3.69Å; I62-Y109 HydrophobicContact CD1-CD1 3.69Å; I62-Y109 HydrophobicContact CD1-CE1 3.46Å; I62-Y109 VanDerWaalsContact CD1-CE1 3.46Å
63I93.8Very high89.8Confident1 Ų177.8 Ų77.81%0.00542%0.423CS..EExtended strand (participates in β ladder)trans-148.3140172.9-174.8169.6000108.9W50 V70 Y71 T72 F85 L96W50-I63 HydrophobicContact CB-CG2 3.65Å; W50-I63 HydrophobicContact CG-CG2 4.14Å; W50-I63 PolarHBondContact N-O 2.97Å; I63-V70 HydrophobicContact CD1-CG1 3.69Å; I63-V70 HydrophobicContact CG1-CG1 3.72Å; I63-Y71 CarbonylContact C-O 3.55Å; I63-Y71 VanDerWaalsContact CA-O 3.32Å; I63-Y71 WeakPolarHBondContact CA-O 3.33Å; I63-T72 HydrophobicContact CB-CG2 4.24Å; I63-T72 HydrophobicContact CD1-CG2 3.9Å; I63-T72 HydrophobicContact CG1-CG2 3.85Å; I63-F85 HydrophobicContact CD1-CD2 4Å; I63-F85 HydrophobicContact CD1-CE2 3.81Å; I63-F85 HydrophobicContact CD1-CZ 4.39Å; I63-F85 HydrophobicContact CG1-CE2 3.93Å; I63-F85 HydrophobicContact CG1-CZ 4.26Å; I63-L96 HydrophobicContact CG2-CD1 3.63Å
64T94.9Very high88.6Confident24 Ų2478.1 Ų78.115%0.14743%0.425CS..EExtended strand (participates in β ladder)trans-134.6136180-61.60000109.9I48 E49 V61 F66 V70 Y71I48-T64 CarbonylContact O-C 3.56Å; I48-T64 WeakPolarHBondContact O-CA 3.33Å; E49-T64 HydrophobicContact CG-CG2 4.04Å; V61-T64 WeakPolarHBondContact CG1-OG1 3.43Å; T64-F66 HydrophobicContact CG2-CB 4.11Å; T64-V70 CarbonylContact O-C 3.56Å; T64-V70 WeakPolarHBondContact O-CA 3.41Å; T64-Y71 PolarHBondContact N-O 2.89Å; T64-Y71 PolarHBondContact O-N 3.02Å
65F93.7Very high86.7Confident12 Ų1278.7 Ų78.75%0.05344%0.443CS..EExtended strand (participates in β ladder)trans-106.9118.6163.5170.8-95.8000109L46 I48 Q69 V70 F85 Y89 L90L46-F65 HydrophobicContact CB-CE1 4.46Å; I48-F65 HydrophobicContact CB-CB 4.15Å; I48-F65 HydrophobicContact CD1-CD1 4.13Å; I48-F65 HydrophobicContact CG1-CD1 4.35Å; I48-F65 PolarHBondContact N-O 3.09Å; I48-F65 PolarHBondContact O-N 2.87Å; F65-Q69 WeakPolarHBondContact CA-O 3.21Å; F65-Q69 WeakPolarHBondContact CD2-O 3.13Å; F65-V70 HydrophobicContact CB-CG2 4.49Å; F65-V70 HydrophobicContact CD2-CG2 3.96Å; F65-F85 HydrophobicContact CB-CE2 3.94Å; F65-F85 HydrophobicContact CB-CZ 4.03Å; F65-Y89 HydrophobicContact CD1-CD2 4.24Å; F65-Y89 HydrophobicContact CD1-CE2 4.2Å; F65-Y89 HydrophobicContact CD2-CD2 4.21Å; F65-Y89 AromaticContact CD2-CE2 3.5Å; F65-Y89 HydrophobicContact CD2-CE2 3.5Å; F65-Y89 VanDerWaalsContact CD2-CE2 3.5Å; F65-Y89 AromaticContact CD2-CZ 3.96Å; F65-Y89 HydrophobicContact CE1-CD2 4.37Å; F65-Y89 HydrophobicContact CE1-CE2 4.11Å; F65-Y89 HydrophobicContact CE2-CD2 4.34Å; F65-Y89 AromaticContact CE2-CE2 3.39Å; F65-Y89 HydrophobicContact CE2-CE2 3.39Å; F65-Y89 AromaticContact CE2-CZ 3.97Å; F65-Y89 HydrophobicContact CG-CD2 4.15Å; F65-Y89 AromaticContact CG-CE2 3.9Å; F65-Y89 HydrophobicContact CG-CE2 3.9Å; F65-Y89 HydrophobicContact CZ-CD2 4.41Å; F65-Y89 AromaticContact CZ-CE2 3.71Å; F65-Y89 HydrophobicContact CZ-CE2 3.71Å; F65-L90 HydrophobicContact CE1-CD2 3.8Å; F65-L90 HydrophobicContact CZ-CD2 3.84Å
66F91.4Very high84.8Confident123 Ų12381.2 Ų81.254%0.53946%0.457SS..EExtended strand (participates in β ladder)trans-150.1140.6179.3-178.9-100.2000110D47 T64 G68 Q69 Y71D47-F66 HydrophobicContact CB-CD2 4.17Å; T64-F66 HydrophobicContact CG2-CB 4.11Å; F66-G68 PolarHBondContact O-N 2.84Å; F66-Q69 PolarHBondContact N-O 2.99Å; F66-Q69 PolarHBondContact O-N 2.72Å; F66-Q69 VanDerWaalsContact O-N 3.11Å; F66-Y71 HydrophobicContact CB-CE2 4.47Å
67G87.2Confident83Confident68 Ų6876.5 Ų76.570%0.70145%0.451SS*.THydrogen-bonded Turntrans61.626176.400000114.7Q69G67-Q69 VanDerWaalsContact C-N 3.32Å
68G86.1Confident81Confident58 Ų5878.2 Ų78.260%0.59846%0.463SS*.THydrogen-bonded Turntrans81.75-178.400000114.8F66F66-G68 PolarHBondContact O-N 2.84Å
69Q89.9Confident79.3Confident115 Ų11576.6 Ų76.654%0.53746%0.463SS..EExtended strand (participates in β ladder)trans-123.5153.7-179.8-65.2-172.7-9.400111.4F65 F66 G67 Y71F65-Q69 WeakPolarHBondContact CA-O 3.21Å; F65-Q69 WeakPolarHBondContact CD2-O 3.13Å; F66-Q69 PolarHBondContact N-O 2.99Å; F66-Q69 PolarHBondContact O-N 2.72Å; F66-Q69 VanDerWaalsContact O-N 3.11Å; G67-Q69 VanDerWaalsContact C-N 3.32Å; Q69-Y71 HydrophobicContact CB-CE1 4.48Å; Q69-Y71 HydrophobicContact CB-CE2 4.01Å; Q69-Y71 PolarHBondContact OE1-OH 3.37Å
70V91.6Very high77.9Confident66 Ų6677.3 Ų77.340%0.448%0.482SS..EExtended strand (participates in β ladder)trans-104.5129.3175.4178.60000109I63 T64 F65 F85I63-V70 HydrophobicContact CD1-CG1 3.69Å; I63-V70 HydrophobicContact CG1-CG1 3.72Å; T64-V70 CarbonylContact O-C 3.56Å; T64-V70 WeakPolarHBondContact O-CA 3.41Å; F65-V70 HydrophobicContact CB-CG2 4.49Å; F65-V70 HydrophobicContact CD2-CG2 3.96Å; V70-F85 HydrophobicContact CG1-CD2 4.3Å; V70-F85 HydrophobicContact CG1-CE2 3.99Å; V70-F85 HydrophobicContact CG2-CD2 4.08Å; V70-F85 HydrophobicContact CG2-CE2 4Å
71Y90.3Very high77.3Confident115 Ų11573.8 Ų73.845%0.45147%0.473SS..EExtended strand (participates in β ladder)trans-116.8129.9177.3-55.9-78.7000109.3I63 T64 F66 Q69I63-Y71 CarbonylContact C-O 3.55Å; I63-Y71 VanDerWaalsContact CA-O 3.32Å; I63-Y71 WeakPolarHBondContact CA-O 3.33Å; T64-Y71 PolarHBondContact N-O 2.89Å; T64-Y71 PolarHBondContact O-N 3.02Å; F66-Y71 HydrophobicContact CB-CE2 4.47Å; Q69-Y71 HydrophobicContact CB-CE1 4.48Å; Q69-Y71 HydrophobicContact CB-CE2 4.01Å; Q69-Y71 PolarHBondContact OE1-OH 3.37Å
72T88.3Confident77.2Confident56 Ų5673.4 Ų73.434%0.34447%0.465SS..EExtended strand (participates in β ladder)trans-114.2151.7172.3570000110I63 E74I63-T72 HydrophobicContact CB-CG2 4.24Å; I63-T72 HydrophobicContact CD1-CG2 3.9Å; I63-T72 HydrophobicContact CG1-CG2 3.85Å; T72-E74 VanDerWaalsContact C-N 3.31Å
73N74.3Confident77.2Confident57 Ų5773.7 Ų73.731%0.30547%0.467SS..  trans-90.511.2-177.473.3-9.3000114K60 V61 I62K60-N73 WeakPolarHBondContact CD-ND2 3.18Å; K60-N73 WeakPolarHBondContact CE-ND2 3.47Å; K60-N73 PolarHBondContact NZ-ND2 3.46Å; V61-N73 PolarHBondContact O-ND2 2.89Å; I62-N73 WeakPolarHBondContact CA-ND2 3.2Å; I62-N73 PolarHBondContact O-N 3.46Å; I62-N73 PolarHBondContact O-OD1 3.37Å
74E68.1Low77.1Confident64 Ų6476 Ų7630%0.29948%0.482SS..SBendtrans-86.7138.2179.6-68.1-176.7147.800110.2T72 V76 S81 R82T72-E74 VanDerWaalsContact C-N 3.31Å; E74-V76 PolarHBondContact O-N 2.85Å; E74-S81 WeakPolarHBondContact OE2-CA 3.37Å; E74-S81 WeakPolarHBondContact OE2-CB 3.47Å; E74-S81 PolarHBondContact OE2-OG 2.88Å; E74-R82 PolarHBondContact OE2-N 3.4Å
75A51.9Low77.1Confident87 Ų8776.2 Ų76.272%0.71948%0.481SS*.  trans-61125.3-173.800000111G77 S78A75-G77 PolarHBondContact O-N 2.86Å; A75-S78 PolarHBondContact O-N 3.07Å
76V46.8Very low77.2Confident158 Ų15878 Ų7896%0.95850%0.498SS*.THydrogen-bonded Turntrans-53.8107.2170.2176.50000108.3E74E74-V76 PolarHBondContact O-N 2.85Å
77G48.7Very low77.1Confident80 Ų8073.2 Ų73.283%0.82548%0.484SS*.THydrogen-bonded Turntrans141-9-179.400000116.2A75A75-G77 PolarHBondContact O-N 2.86Å
78S47.8Very low77.4Confident103 Ų10376.9 Ų76.972%0.7248%0.483SS*.SBendtrans-96.7134.3168.3-174.60000109.8A75 A80A75-S78 PolarHBondContact O-N 3.07Å; S78-A80 PolarHBondContact O-N 3.36Å
79D51.5Low77.7Confident158 Ų15877 Ų7785%0.84547%0.466SS*.SBendtrans-42.8126.1171.1-70.2-44000110.7
80A61.3Low77.7Confident91 Ų9174.4 Ų74.475%0.75246%0.455SS*.SBendtrans32.6113.7175.300000117.4S78 R82S78-A80 PolarHBondContact O-N 3.36Å; A80-R82 PolarHBondContact O-N 3.29Å
81S78.9Confident77.6Confident48 Ų4873.8 Ų73.834%0.33646%0.462SS..  trans-53.7128.5172-172.60000110.8E74 L83E74-S81 WeakPolarHBondContact OE2-CA 3.37Å; E74-S81 WeakPolarHBondContact OE2-CB 3.47Å; E74-S81 PolarHBondContact OE2-OG 2.88Å; S81-L83 PolarHBondContact O-N 2.65Å
82R91.1Very high77.7Confident49 Ų4968.9 Ų68.919%0.18545%0.446CS..SBendtrans-73.1-7.7-178.9-64-176.6-54.7118.25.7112.8E74 A80 I98 S99 D100 D105E74-R82 PolarHBondContact OE2-N 3.4Å; A80-R82 PolarHBondContact O-N 3.29Å; R82-I98 WeakPolarHBondContact O-CA 3.48Å; R82-S99 WeakPolarHBondContact CA-OG 3.43Å; R82-S99 PolarHBondContact NH1-O 3.21Å; R82-S99 PolarHBondContact O-N 3.47Å; R82-S99 PolarHBondContact O-OG 2.98Å; R82-D100 PolarHBondContact NH1-O 2.65Å; R82-D105 IonicContact CZ-OD1 2.98Å; R82-D105 IonicContact CZ-OD2 3.49Å; R82-D105 IonicContact NH1-OD1 2.8Å; R82-D105 IonicContact NH1-OD2 2.61Å; R82-D105 PolarHBondContact NH1-OD2 3.07Å; R82-D105 IonicContact NH2-OD1 2.82Å; R82-D105 PolarHBondContact NH2-OD1 3.02Å; R82-D105 IonicContact NH2-OD2 3.82Å; R82-D105 PolarHBondContact NH2-OD2 3.15Å
83L92.6Very high78.1Confident15 Ų1568.4 Ų68.48%0.07944%0.442CS..EExtended strand (participates in β ladder)trans-105.3129.7-175.5-58.4177.5000110.4I62 S81 L96 L97 I98I62-L83 HydrophobicContact CB-CD1 3.94Å; I62-L83 HydrophobicContact CD1-CD1 4.41Å; S81-L83 PolarHBondContact O-N 2.65Å; L83-L96 HydrophobicContact CD2-CD1 4.5Å; L83-L97 WeakPolarHBondContact CA-O 3.46Å; L83-I98 HydrophobicContact CD2-CB 4.27Å; L83-I98 HydrophobicContact CD2-CD1 4.37Å; L83-I98 HydrophobicContact CD2-CG1 3.79Å; L83-I98 HydrophobicContact CD2-CG2 4Å
84S93.2Very high79.1Confident48 Ų4865.7 Ų65.734%0.33643%0.427SS..EExtended strand (participates in β ladder)trans-153.7164.917554.50000111.5L97S84-L97 PolarHBondContact N-O 2.8Å; S84-L97 PolarHBondContact O-N 3.19Å
85F94.9Very high80.5Confident29 Ų2962.9 Ų62.913%0.12742%0.415CS..EExtended strand (participates in β ladder)trans-79.3131.8169.1-70.1-77.5000109.7I48 W50 I63 F65 V70 Y89 S95I48-F85 HydrophobicContact CB-CZ 4.44Å; I48-F85 HydrophobicContact CG2-CE1 3.79Å; I48-F85 HydrophobicContact CG2-CZ 4Å; W50-F85 AromaticContact CD1-CE1 3.95Å; I63-F85 HydrophobicContact CD1-CD2 4Å; I63-F85 HydrophobicContact CD1-CE2 3.81Å; I63-F85 HydrophobicContact CD1-CZ 4.39Å; I63-F85 HydrophobicContact CG1-CE2 3.93Å; I63-F85 HydrophobicContact CG1-CZ 4.26Å; F65-F85 HydrophobicContact CB-CE2 3.94Å; F65-F85 HydrophobicContact CB-CZ 4.03Å; V70-F85 HydrophobicContact CG1-CD2 4.3Å; V70-F85 HydrophobicContact CG1-CE2 3.99Å; V70-F85 HydrophobicContact CG2-CD2 4.08Å; V70-F85 HydrophobicContact CG2-CE2 4Å; F85-Y89 HydrophobicContact CB-CD1 3.64Å; F85-Y89 HydrophobicContact CB-CE1 4.27Å; F85-Y89 HydrophobicContact CD1-CD1 4.42Å; F85-Y89 AromaticContact CD2-CD1 3.98Å; F85-Y89 HydrophobicContact CD2-CD1 3.98Å; F85-Y89 HydrophobicContact CD2-CE1 4.24Å; F85-Y89 AromaticContact CG-CD1 3.76Å; F85-Y89 HydrophobicContact CG-CD1 3.76Å; F85-Y89 HydrophobicContact CG-CE1 4.41Å; F85-Y89 HydrophobicContact CG-CG 4.3Å; F85-S95 WeakPolarHBondContact CA-O 3.22Å
86A94.3Very high82.6Confident49 Ų4958.7 Ų58.741%0.40538%0.38SS..  trans-81.8-25.7-175.700000113.5T33 S95 L97T33-A86 HydrophobicContact CG2-CB 3.52Å; A86-S95 PolarHBondContact N-O 2.87Å; A86-L97 HydrophobicContact CB-CB 4Å
87G91.2Very high85Confident24 Ų2453.4 Ų53.425%0.24735%0.346CS..SBendtrans-128.4-174-174.800000113.4Y89 D93G87-Y89 PolarHBondContact O-N 2.73Å; G87-D93 CarbonylContact C-O 3.51Å
88E92.6Very high87.2Confident145 Ų14549.6 Ų49.668%0.67831%0.307SS*.  trans-78.488.2174.2-167.7-179.2-176.900109.7L90 G91 G92 D93E88-L90 PolarHBondContact O-N 3.13Å; E88-L90 VanDerWaalsContact O-N 3.17Å; E88-G91 CarbonylContact O-C 3.57Å; E88-G91 WeakPolarHBondContact O-CA 3.23Å; E88-G91 PolarHBondContact O-N 3.48Å; E88-G92 PolarHBondContact O-N 3Å; E88-D93 CarbonylContact C-O 3.47Å; E88-D93 PolarHBondContact O-N 3.35Å; E88-D93 VanDerWaalsContact O-N 3.13Å
89Y91.5Very high89.5Confident59 Ų5946.5 Ų46.523%0.23129%0.286CS..THydrogen-bonded Turntrans-63.8-19.9-17655.3-97.5000114.1H38 I48 F65 F85 G87 D93H38-Y89 PolarHBondContact NE2-O 3.06Å; I48-Y89 HydrophobicContact CD1-CD2 4.15Å; I48-Y89 HydrophobicContact CD1-CG 4.39Å; F65-Y89 HydrophobicContact CD1-CD2 4.24Å; F65-Y89 HydrophobicContact CD1-CE2 4.2Å; F65-Y89 HydrophobicContact CD2-CD2 4.21Å; F65-Y89 AromaticContact CD2-CE2 3.5Å; F65-Y89 HydrophobicContact CD2-CE2 3.5Å; F65-Y89 VanDerWaalsContact CD2-CE2 3.5Å; F65-Y89 AromaticContact CD2-CZ 3.96Å; F65-Y89 HydrophobicContact CE1-CD2 4.37Å; F65-Y89 HydrophobicContact CE1-CE2 4.11Å; F65-Y89 HydrophobicContact CE2-CD2 4.34Å; F65-Y89 AromaticContact CE2-CE2 3.39Å; F65-Y89 HydrophobicContact CE2-CE2 3.39Å; F65-Y89 AromaticContact CE2-CZ 3.97Å; F65-Y89 HydrophobicContact CG-CD2 4.15Å; F65-Y89 AromaticContact CG-CE2 3.9Å; F65-Y89 HydrophobicContact CG-CE2 3.9Å; F65-Y89 HydrophobicContact CZ-CD2 4.41Å; F65-Y89 AromaticContact CZ-CE2 3.71Å; F65-Y89 HydrophobicContact CZ-CE2 3.71Å; F85-Y89 HydrophobicContact CB-CD1 3.64Å; F85-Y89 HydrophobicContact CB-CE1 4.27Å; F85-Y89 HydrophobicContact CD1-CD1 4.42Å; F85-Y89 AromaticContact CD2-CD1 3.98Å; F85-Y89 HydrophobicContact CD2-CD1 3.98Å; F85-Y89 HydrophobicContact CD2-CE1 4.24Å; F85-Y89 AromaticContact CG-CD1 3.76Å; F85-Y89 HydrophobicContact CG-CD1 3.76Å; F85-Y89 HydrophobicContact CG-CE1 4.41Å; F85-Y89 HydrophobicContact CG-CG 4.3Å; G87-Y89 PolarHBondContact O-N 2.73Å; Y89-D93 WeakPolarHBondContact CA-O 3.38Å; Y89-D93 PolarHBondContact N-O 3.01Å; Y89-D93 VanDerWaalsContact N-O 3.13Å
90L90.4Very high91.5Very high62 Ų6243.3 Ų43.333%0.32527%0.268SS..THydrogen-bonded Turntrans-80.2-28.1168.6-61.9179.8000112.2A42 L46 F65 E88 G92A42-L90 VanDerWaalsContact CA-O 3.24Å; A42-L90 WeakPolarHBondContact CA-O 3.38Å; A42-L90 VanDerWaalsContact CB-O 3.28Å; A42-L90 WeakPolarHBondContact CB-O 3.46Å; L46-L90 HydrophobicContact CD1-CD2 4.03Å; F65-L90 HydrophobicContact CE1-CD2 3.8Å; F65-L90 HydrophobicContact CZ-CD2 3.84Å; E88-L90 PolarHBondContact O-N 3.13Å; E88-L90 VanDerWaalsContact O-N 3.17Å; L90-G92 VanDerWaalsContact C-N 3.33Å
91G90.7Very high93.2Very high53 Ų5339 Ų3955%0.54623%0.232SC..THydrogen-bonded Turntrans-84.70.4-179.400000114.6E88E88-G91 CarbonylContact O-C 3.57Å; E88-G91 WeakPolarHBondContact O-CA 3.23Å; E88-G91 PolarHBondContact O-N 3.48Å
92G92.6Very high94Very high11 Ų1140.1 Ų40.111%0.11323%0.234CC..THydrogen-bonded Turntrans113.4-2.7177.800000115.3H37 H38 E88 L90H37-G92 CarbonylContact C-O 3.59Å; H37-G92 VanDerWaalsContact CA-O 3.26Å; H37-G92 WeakPolarHBondContact CA-O 3.29Å; H38-G92 PolarHBondContact N-O 3.25Å; H38-G92 WeakPolarHBondContact O-CA 3.28Å; E88-G92 PolarHBondContact O-N 3Å; L90-G92 VanDerWaalsContact C-N 3.33Å
93D95.4Very high94.1Very high47 Ų4741 Ų4125%0.25124%0.243SC..BIsolated β-bridgetrans-115.790-179.5-170.2-0.2000112.2H37 G87 E88 Y89 S95H37-D93 VanDerWaalsContact CE1-CG 3.48Å; H37-D93 IonicContact CE1-OD1 3.7Å; H37-D93 PolarHBondContact CE1-OD1 3.07Å; H37-D93 VanDerWaalsContact CE1-OD1 3.27Å; H37-D93 IonicContact CE1-OD2 2.74Å; H37-D93 IonicContact ND1-OD1 3.58Å; H37-D93 PolarHBondContact ND1-OD1 2.77Å; G87-D93 CarbonylContact C-O 3.51Å; E88-D93 CarbonylContact C-O 3.47Å; E88-D93 PolarHBondContact O-N 3.35Å; E88-D93 VanDerWaalsContact O-N 3.13Å; Y89-D93 WeakPolarHBondContact CA-O 3.38Å; Y89-D93 PolarHBondContact N-O 3.01Å; Y89-D93 VanDerWaalsContact N-O 3.13Å; D93-S95 VanDerWaalsContact C-N 3.29Å; D93-S95 PolarHBondContact O-N 2.74Å; D93-S95 WeakPolarHBondContact OD1-CB 3.24Å; D93-S95 PolarHBondContact OD1-N 3.39Å; D93-S95 PolarHBondContact OD1-OG 3.45Å
94A96.1Very high94.1Very high0 Ų044.4 Ų44.40%026%0.264CS..  trans-92.923.4179.200000112.8C36 I48 W50 V113C36-A94 HydrophobicContact CB-CB 4.32Å; C36-A94 CarbonylContact O-C 3.52Å; C36-A94 WeakPolarHBondContact O-CA 3.31Å; C36-A94 PolarHBondContact O-N 2.92Å; I48-A94 HydrophobicContact CD1-CB 4.09Å; I48-A94 HydrophobicContact CG2-CB 4.06Å; W50-A94 PolarHBondContact NE1-O 3.27Å; A94-V113 HydrophobicContact CB-CG2 4.22Å
95S97.1Very high94.2Very high4 Ų442.8 Ų42.83%0.02825%0.252CS..PPolyproline II helixtrans-60.7141.8-178.6-60.40000112.3L34 P35 C36 F85 A86 D93L34-S95 CarbonylContact O-C 3.57Å; L34-S95 WeakPolarHBondContact O-CA 3.21Å; L34-S95 VanDerWaalsContact O-CB 3.27Å; L34-S95 WeakPolarHBondContact O-CB 3.34Å; P35-S95 WeakPolarHBondContact CA-OG 3.34Å; C36-S95 PolarHBondContact N-OG 3.06Å; C36-S95 PolarHBondContact O-N 3.28Å; F85-S95 WeakPolarHBondContact CA-O 3.22Å; A86-S95 PolarHBondContact N-O 2.87Å; D93-S95 VanDerWaalsContact C-N 3.29Å; D93-S95 PolarHBondContact O-N 2.74Å; D93-S95 WeakPolarHBondContact OD1-CB 3.24Å; D93-S95 PolarHBondContact OD1-N 3.39Å; D93-S95 PolarHBondContact OD1-OG 3.45Å
96L96.4Very high94.2Very high0 Ų043.1 Ų43.10%026%0.258CS..EExtended strand (participates in β ladder)trans-94124.9-17917666.6000110.7T33 L34 W50 I62 I63 L83 I98 Y109T33-L96 CarbonylContact C-O 3.5Å; T33-L96 VanDerWaalsContact CA-O 3.24Å; T33-L96 WeakPolarHBondContact CA-O 3.26Å; L34-L96 HydrophobicContact CB-CB 4.27Å; L34-L96 HydrophobicContact CD1-CD2 4.12Å; L34-L96 PolarHBondContact N-O 3.19Å; L34-L96 PolarHBondContact O-N 2.89Å; W50-L96 HydrophobicContact CB-CD2 4.32Å; W50-L96 HydrophobicContact CD2-CB 3.77Å; W50-L96 HydrophobicContact CD2-CD2 3.93Å; W50-L96 HydrophobicContact CD2-CG 4.41Å; W50-L96 VanDerWaalsContact CE2-CB 3.45Å; W50-L96 HydrophobicContact CE3-CB 4.32Å; W50-L96 HydrophobicContact CE3-CD2 4.02Å; W50-L96 HydrophobicContact CG-CB 4.14Å; W50-L96 HydrophobicContact CG-CD2 4.09Å; W50-L96 HydrophobicContact CG-CG 4.5Å; W50-L96 HydrophobicContact CH2-CB 4.25Å; W50-L96 HydrophobicContact CZ2-CB 3.69Å; I62-L96 HydrophobicContact CD1-CD2 3.69Å; I63-L96 HydrophobicContact CG2-CD1 3.63Å; L83-L96 HydrophobicContact CD2-CD1 4.5Å; L96-I98 HydrophobicContact CD2-CD1 3.99Å; L96-I98 HydrophobicContact CD2-CG1 3.96Å; L96-I98 HydrophobicContact CG-CD1 4.5Å; L96-I98 HydrophobicContact CG-CG1 3.95Å; L96-Y109 HydrophobicContact CD2-CD1 3.89Å; L96-Y109 HydrophobicContact CD2-CE1 4.08Å
97L96.3Very high94.2Very high46 Ų4641.1 Ų41.124%0.24124%0.242CC..EExtended strand (participates in β ladder)trans-93.5127.7166179.263.8000109.9N31 A32 L83 S84 A86N31-L97 HydrophobicContact CB-CD1 4.22Å; A32-L97 CarbonylContact O-C 3.55Å; A32-L97 WeakPolarHBondContact O-CA 3.32Å; L83-L97 WeakPolarHBondContact CA-O 3.46Å; S84-L97 PolarHBondContact N-O 2.8Å; S84-L97 PolarHBondContact O-N 3.19Å; A86-L97 HydrophobicContact CB-CB 4Å
98I96.1Very high94.5Very high0 Ų042 Ų420%024%0.241CC..EExtended strand (participates in β ladder)trans-117.5113.9169.6-47.7179.9000106.8N31 A32 L34 R82 L83 L96 L101 Y109 L126N31-I98 CarbonylContact C-O 3.57Å; N31-I98 WeakPolarHBondContact CA-O 3.38Å; A32-I98 PolarHBondContact N-O 3.04Å; A32-I98 PolarHBondContact O-N 3.45Å; L34-I98 HydrophobicContact CD1-CD1 4.19Å; R82-I98 WeakPolarHBondContact O-CA 3.48Å; L83-I98 HydrophobicContact CD2-CB 4.27Å; L83-I98 HydrophobicContact CD2-CD1 4.37Å; L83-I98 HydrophobicContact CD2-CG1 3.79Å; L83-I98 HydrophobicContact CD2-CG2 4Å; L96-I98 HydrophobicContact CD2-CD1 3.99Å; L96-I98 HydrophobicContact CD2-CG1 3.96Å; L96-I98 HydrophobicContact CG-CD1 4.5Å; L96-I98 HydrophobicContact CG-CG1 3.95Å; I98-L101 HydrophobicContact CB-CD2 4.06Å; I98-L101 HydrophobicContact CG2-CD2 3.76Å; I98-Y109 HydrophobicContact CD1-CD1 4.43Å; I98-Y109 HydrophobicContact CD1-CE1 3.6Å; I98-L126 HydrophobicContact CD1-CD2 4Å
99S95.1Very high94.7Very high39 Ų3935.2 Ų35.227%0.27321%0.209SC..  trans-92150.4177.659.30000112.2N31 R82N31-S99 VanDerWaalsContact OD1-CA 3.25Å; N31-S99 WeakPolarHBondContact OD1-CA 3.29Å; R82-S99 WeakPolarHBondContact CA-OG 3.43Å; R82-S99 PolarHBondContact NH1-O 3.21Å; R82-S99 PolarHBondContact O-N 3.47Å; R82-S99 PolarHBondContact O-OG 2.98Å
100D94.5Very high94.9Very high90 Ų9033.1 Ų33.148%0.48120%0.203SC..SBendtrans50.568.2176.9-170.333.1000111.5D30 N31 R82 L102D30-D100 PolarHBondContact O-N 3.35Å; N31-D100 PolarHBondContact OD1-N 3.19Å; R82-D100 PolarHBondContact NH1-O 2.65Å; D100-L102 PolarHBondContact O-N 2.71Å
101L96.1Very high95.1Very high0 Ų030.2 Ų30.20%019%0.188CC..  trans-60.7134.7-173.8-76.3167.4000112.1K26 V28 G29 D30 A32 I98 D105 L126 V128K26-L101 HydrophobicContact CB-CD1 3.46Å; K26-L101 VanDerWaalsContact CB-CD1 3.46Å; K26-L101 HydrophobicContact CG-CD1 4.02Å; V28-L101 CarbonylContact C-O 3.46Å; V28-L101 WeakPolarHBondContact CA-O 3.45Å; V28-L101 WeakPolarHBondContact CG1-O 3.49Å; G29-L101 PolarHBondContact N-O 2.94Å; D30-L101 HydrophobicContact CB-CD1 4.23Å; D30-L101 WeakPolarHBondContact O-CB 3.48Å; D30-L101 WeakPolarHBondContact O-CD1 3.18Å; D30-L101 WeakPolarHBondContact O-CG 3.45Å; D30-L101 PolarHBondContact O-N 2.87Å; A32-L101 HydrophobicContact CB-CD1 3.81Å; A32-L101 HydrophobicContact CB-CD2 4.02Å; A32-L101 HydrophobicContact CB-CG 4.32Å; I98-L101 HydrophobicContact CB-CD2 4.06Å; I98-L101 HydrophobicContact CG2-CD2 3.76Å; L101-D105 HydrophobicContact CD2-CB 4.3Å; L101-L126 HydrophobicContact CD2-CD2 4.01Å; L101-V128 HydrophobicContact CB-CG1 4.06Å; L101-V128 HydrophobicContact CB-CG2 4.39Å; L101-V128 HydrophobicContact CD2-CG2 4.12Å
102L95Very high95.4Very high72 Ų7230.8 Ų30.838%0.37718%0.175SC..  trans-108.5154.8172.7-57.6174.4000109.8D100 T104 D105D100-L102 PolarHBondContact O-N 2.71Å; L102-T104 PolarHBondContact O-N 2.8Å; L102-T104 VanDerWaalsContact O-N 3.09Å; L102-D105 PolarHBondContact N-OD2 2.54Å; L102-D105 WeakPolarHBondContact O-CB 3.44Å; L102-D105 PolarHBondContact O-N 2.92Å
103L94.3Very high95.6Very high68 Ų6830.3 Ų30.336%0.35617%0.17SC..G310 helixtrans-53.2-34.6172.8-71.4-179.5000112.6V28 D105 S106 V128 E130V28-L103 HydrophobicContact CG2-CD2 3.63Å; V28-L103 HydrophobicContact CG2-CG 3.82Å; L103-D105 PolarHBondContact O-N 3.49Å; L103-S106 WeakPolarHBondContact O-CB 3.21Å; L103-S106 PolarHBondContact O-N 3.14Å; L103-S106 VanDerWaalsContact O-N 3.17Å; L103-S106 PolarHBondContact O-OG 2.83Å; L103-V128 WeakPolarHBondContact CD2-O 3.38Å; L103-E130 HydrophobicContact CD1-CG 4.25Å; L103-E130 WeakPolarHBondContact CD1-OE2 3.38Å; L103-E130 HydrophobicContact CD2-CB 4.11Å; L103-E130 HydrophobicContact CD2-CG 3.99Å
104T92.8Very high95.5Very high86 Ų8630.4 Ų30.453%0.52817%0.168SC..G310 helixtrans-70.6-11.2-179.755.20000113.6K54 L102 S106K54-T104 WeakPolarHBondContact CE-O 3.07Å; K54-T104 PolarHBondContact NZ-O 2.9Å; L102-T104 PolarHBondContact O-N 2.8Å; L102-T104 VanDerWaalsContact O-N 3.09Å; T104-S106 VanDerWaalsContact C-N 3.25Å
105D94.1Very high95.4Very high14 Ų1431.1 Ų31.18%0.07517%0.172CC..G310 helixtrans-81-5.3173-60.6-40.2000111.8R82 L101 L102 L103 G107 Y109 V128R82-D105 IonicContact CZ-OD1 2.98Å; R82-D105 IonicContact CZ-OD2 3.49Å; R82-D105 IonicContact NH1-OD1 2.8Å; R82-D105 IonicContact NH1-OD2 2.61Å; R82-D105 PolarHBondContact NH1-OD2 3.07Å; R82-D105 IonicContact NH2-OD1 2.82Å; R82-D105 PolarHBondContact NH2-OD1 3.02Å; R82-D105 IonicContact NH2-OD2 3.82Å; R82-D105 PolarHBondContact NH2-OD2 3.15Å; L101-D105 HydrophobicContact CD2-CB 4.3Å; L102-D105 PolarHBondContact N-OD2 2.54Å; L102-D105 WeakPolarHBondContact O-CB 3.44Å; L102-D105 PolarHBondContact O-N 2.92Å; L103-D105 PolarHBondContact O-N 3.49Å; D105-G107 PolarHBondContact O-N 2.93Å; D105-Y109 VanDerWaalsContact O-CE2 3.27Å; D105-Y109 WeakPolarHBondContact O-CE2 3.42Å; D105-Y109 PolarHBondContact O-OH 2.89Å; D105-V128 HydrophobicContact CB-CG2 4.37Å
106S95.6Very high94.8Very high37 Ų3734.7 Ų34.726%0.25921%0.21SC..  trans-63.3135.3173.7-57.30000111.8L103 T104 L126 V128L103-S106 WeakPolarHBondContact O-CB 3.21Å; L103-S106 PolarHBondContact O-N 3.14Å; L103-S106 VanDerWaalsContact O-N 3.17Å; L103-S106 PolarHBondContact O-OG 2.83Å; T104-S106 VanDerWaalsContact C-N 3.25Å; S106-L126 CarbonylContact C-O 3.57Å; S106-L126 VanDerWaalsContact CA-O 3.27Å; S106-L126 WeakPolarHBondContact CA-O 3.19Å; S106-V128 PolarHBondContact OG-N 2.95Å
107G95.2Very high94.3Very high7 Ų737.5 Ų37.57%0.07224%0.239CC..EExtended strand (participates in β ladder)trans160-175.2178.400000114.3D105 Y109 L126D105-G107 PolarHBondContact O-N 2.93Å; G107-Y109 WeakPolarHBondContact O-CD2 3.35Å; G107-L126 PolarHBondContact N-O 3.11Å; G107-L126 PolarHBondContact O-N 3.49Å
108D96.4Very high94Very high42 Ų4242 Ų4223%0.22526%0.257CS..EExtended strand (participates in β ladder)trans-93.2114.4178.5-70.4-32.1000110.7Q21 Q53 N125Q21-D108 PolarHBondContact NE2-OD1 3.47Å; Q53-D108 HydrophobicContact CB-CB 4.1Å; Q53-D108 PolarHBondContact N-O 3.27Å; Q53-D108 PolarHBondContact O-N 3.46Å; D108-N125 WeakPolarHBondContact OD1-CB 3.44Å; D108-N125 PolarHBondContact OD1-ND2 3.26Å
109Y96.3Very high93.8Very high3 Ų349.8 Ų49.81%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-98.1131.8177.7-70.3-103.9000109.8L34 W50 L51 L52 I62 L96 I98 D105 G107 Q123 V124 L126L34-Y109 HydrophobicContact CD1-CD1 3.59Å; L34-Y109 HydrophobicContact CD1-CD2 3.8Å; L34-Y109 HydrophobicContact CD1-CE1 4.17Å; L34-Y109 HydrophobicContact CD1-CE2 4.39Å; L34-Y109 HydrophobicContact CD1-CG 3.37Å; W50-Y109 HydrophobicContact CE3-CD1 4.43Å; L51-Y109 CarbonylContact O-C 3.55Å; L51-Y109 VanDerWaalsContact O-CA 3.31Å; L51-Y109 WeakPolarHBondContact O-CA 3.37Å; L52-Y109 HydrophobicContact CB-CE1 4.39Å; L52-Y109 HydrophobicContact CD1-CD1 4.45Å; L52-Y109 HydrophobicContact CD1-CD2 3.99Å; L52-Y109 HydrophobicContact CD1-CE1 4.11Å; L52-Y109 HydrophobicContact CD1-CE2 3.57Å; L52-Y109 HydrophobicContact CD1-CG 4.4Å; I62-Y109 HydrophobicContact CD1-CD1 3.69Å; I62-Y109 HydrophobicContact CD1-CE1 3.46Å; I62-Y109 VanDerWaalsContact CD1-CE1 3.46Å; L96-Y109 HydrophobicContact CD2-CD1 3.89Å; L96-Y109 HydrophobicContact CD2-CE1 4.08Å; I98-Y109 HydrophobicContact CD1-CD1 4.43Å; I98-Y109 HydrophobicContact CD1-CE1 3.6Å; D105-Y109 VanDerWaalsContact O-CE2 3.27Å; D105-Y109 WeakPolarHBondContact O-CE2 3.42Å; D105-Y109 PolarHBondContact O-OH 2.89Å; G107-Y109 WeakPolarHBondContact O-CD2 3.35Å; Y109-Q123 CarbonylContact O-C 2.97Å; Y109-Q123 VanDerWaalsContact O-CA 3.29Å; Y109-Q123 WeakPolarHBondContact O-CA 3.24Å; Y109-V124 PolarHBondContact N-O 2.79Å; Y109-V124 PolarHBondContact O-N 2.81Å; Y109-L126 HydrophobicContact CD2-CB 3.88Å; Y109-L126 HydrophobicContact CE2-CB 3.76Å; Y109-L126 HydrophobicContact CE2-CD2 3.85Å; Y109-L126 HydrophobicContact CE2-CG 4.42Å
110S95.9Very high93.7Very high15 Ų1550.5 Ų50.511%0.10529%0.286CS..EExtended strand (participates in β ladder)trans-119123.3174.8-55.20000110.1W50 L51 Q59 S122W50-S110 WeakPolarHBondContact CA-O 3.24Å; L51-S110 PolarHBondContact N-O 3.41Å; L51-S110 PolarHBondContact O-N 2.86Å; Q59-S110 PolarHBondContact NE2-OG 2.87Å; S110-S122 CarbonylContact C-O 3.59Å; S110-S122 WeakPolarHBondContact CA-O 3.33Å
111C96.4Very high93.6Very high0 Ų054.4 Ų54.40%029%0.294CS..EExtended strand (participates in β ladder)trans-87.1132166.3-172.80000108.7C36 W50 W121 S122C36-C111 HydrophobicContact CB-CB 3.6Å; C36-C111 WeakPolarHBondContact CB-SG 3.49Å; C36-C111 WeakPolarHBondContact SG-CB 3.32Å; C36-C111 CovalentContact SG-SG 2.04Å; C36-C111 PolarHBondContact SG-SG 3.25Å; W50-C111 HydrophobicContact CD2-CB 4.06Å; W50-C111 HydrophobicContact CE3-CB 4.19Å; W50-C111 HydrophobicContact CH2-CB 3.85Å; W50-C111 HydrophobicContact CZ2-CB 3.69Å; W50-C111 HydrophobicContact CZ3-CB 4.09Å; C111-W121 WeakPolarHBondContact O-CA 3.42Å; C111-S122 VanDerWaalsContact CB-OG 3.3Å; C111-S122 WeakPolarHBondContact CB-OG 3.35Å; C111-S122 PolarHBondContact N-O 2.9Å; C111-S122 PolarHBondContact O-N 2.91Å; C111-S122 VanDerWaalsContact O-N 3.11Å
112K95.6Very high93.5Very high66 Ų6655.6 Ų55.629%0.28730%0.303SS..EExtended strand (participates in β ladder)trans-128.8115.5172.3-64.8-176.5-172.11640108.8I48 E49 L51I48-K112 CarbonylContact C-O 3.57Å; I48-K112 WeakPolarHBondContact CA-O 3.39Å; E49-K112 HydrophobicContact CB-CB 4.46Å; E49-K112 PolarHBondContact N-O 3.48Å; E49-K112 PolarHBondContact O-N 3.47Å; L51-K112 HydrophobicContact CD1-CB 4.28Å; L51-K112 HydrophobicContact CD1-CD 3.58Å; L51-K112 HydrophobicContact CD1-CG 3.77Å
113V96.1Very high93.5Very high0 Ų055 Ų550%030%0.298CS..EExtended strand (participates in β ladder)trans-112.9124.8175.7-1760000108.4H38 F40 L46 D47 I48 A94 Y119 H120H38-V113 HydrophobicContact CB-CG1 4.43Å; F40-V113 HydrophobicContact CD2-CB 4.4Å; F40-V113 HydrophobicContact CD2-CG1 3.59Å; F40-V113 HydrophobicContact CE2-CB 4.09Å; F40-V113 HydrophobicContact CE2-CG1 3.72Å; L46-V113 HydrophobicContact CD2-CG1 3.78Å; D47-V113 CarbonylContact O-C 3.58Å; D47-V113 WeakPolarHBondContact O-CA 3.34Å; I48-V113 HydrophobicContact CG1-CG1 4.02Å; I48-V113 HydrophobicContact CG1-CG2 4.22Å; I48-V113 HydrophobicContact CG2-CG2 4.16Å; A94-V113 HydrophobicContact CB-CG2 4.22Å; V113-Y119 CarbonylContact O-C 3.51Å; V113-Y119 WeakPolarHBondContact O-CA 2.99Å; V113-H120 HydrophobicContact CB-CB 4.24Å; V113-H120 PolarHBondContact N-O 2.83Å; V113-H120 PolarHBondContact O-N 2.82Å
114K94.4Very high93.6Very high50 Ų5051.9 Ų51.922%0.21728%0.282CS..EExtended strand (participates in β ladder)trans-121.5141.5-178.7-44.1179.7-168.3121.20110.4L46 D47 E49 K118 Y119L46-K114 WeakPolarHBondContact CA-O 3.08Å; D47-K114 HydrophobicContact CB-CB 4.25Å; D47-K114 PolarHBondContact N-O 3.29Å; D47-K114 PolarHBondContact O-N 3.28Å; D47-K114 WeakPolarHBondContact OD2-CD 3.37Å; D47-K114 IonicContact OD2-NZ 3.49Å; D47-K114 PolarHBondContact OD2-NZ 3.36Å; E49-K114 VanDerWaalsContact CD-NZ 3.31Å; E49-K114 IonicContact OE1-NZ 3.17Å; E49-K114 PolarHBondContact OE1-NZ 2.96Å; E49-K114 IonicContact OE2-NZ 2.98Å; E49-K114 PolarHBondContact OE2-NZ 2.94Å; K114-K118 WeakPolarHBondContact CA-O 3.39Å; K114-Y119 HydrophobicContact CB-CD1 4.29Å; K114-Y119 HydrophobicContact CB-CE1 4.28Å; K114-Y119 HydrophobicContact CD-CD1 4.06Å; K114-Y119 HydrophobicContact CD-CE1 3.6Å; K114-Y119 HydrophobicContact CG-CD1 3.67Å; K114-Y119 HydrophobicContact CG-CE1 3.72Å
115T93.1Very high93.8Very high14 Ų1449.5 Ų49.59%0.08627%0.266CS..EExtended strand (participates in β ladder)trans-153.9124.7169.7171.70000110.6F40 S44 L46 G117 K118F40-T115 HydrophobicContact CB-CG2 3.89Å; F40-T115 HydrophobicContact CD1-CG2 3.26Å; F40-T115 HydrophobicContact CD2-CG2 3.7Å; F40-T115 HydrophobicContact CE1-CG2 3.59Å; F40-T115 HydrophobicContact CE2-CG2 3.97Å; F40-T115 HydrophobicContact CG-CG2 3.32Å; F40-T115 HydrophobicContact CZ-CG2 3.92Å; S44-T115 WeakPolarHBondContact CB-OG1 3.33Å; L46-T115 HydrophobicContact CD2-CG2 4.11Å; T115-G117 PolarHBondContact O-N 2.85Å; T115-K118 HydrophobicContact CG2-CB 4.36Å; T115-K118 PolarHBondContact N-O 3.32Å; T115-K118 WeakPolarHBondContact O-CB 3.02Å; T115-K118 PolarHBondContact O-N 3.47Å
116G85.8Confident93.9Very high80 Ų8048.9 Ų48.983%0.82526%0.262SS*.THydrogen-bonded Turntrans48.437.3172.300000114.9
117G84.6Confident93.9Very high59 Ų5949.2 Ų49.261%0.60826%0.261SS*.THydrogen-bonded Turntrans84.40.4-178.200000116.2T115 Y119T115-G117 PolarHBondContact O-N 2.85Å; G117-Y119 WeakPolarHBondContact O-CD2 3.39Å; G117-Y119 WeakPolarHBondContact O-CE2 3.46Å
118K91.1Very high94Very high141 Ų14149.1 Ų49.161%0.61326%0.259SS*.EExtended strand (participates in β ladder)trans-94.4150.8169.2-60-179.4-178.51780110.6F40 K114 T115F40-K118 HydrophobicContact CE1-CB 3.63Å; F40-K118 HydrophobicContact CE1-CD 4.17Å; F40-K118 HydrophobicContact CZ-CB 3.99Å; K114-K118 WeakPolarHBondContact CA-O 3.39Å; T115-K118 HydrophobicContact CG2-CB 4.36Å; T115-K118 PolarHBondContact N-O 3.32Å; T115-K118 WeakPolarHBondContact O-CB 3.02Å; T115-K118 PolarHBondContact O-N 3.47Å
119Y91.7Very high94.1Very high163 Ų16348.3 Ų48.364%0.63926%0.255SS*.EExtended strand (participates in β ladder)trans-133.6137-175.4-60.4-96.3000110.3V113 K114 G117V113-Y119 CarbonylContact O-C 3.51Å; V113-Y119 WeakPolarHBondContact O-CA 2.99Å; K114-Y119 HydrophobicContact CB-CD1 4.29Å; K114-Y119 HydrophobicContact CB-CE1 4.28Å; K114-Y119 HydrophobicContact CD-CD1 4.06Å; K114-Y119 HydrophobicContact CD-CE1 3.6Å; K114-Y119 HydrophobicContact CG-CD1 3.67Å; K114-Y119 HydrophobicContact CG-CE1 3.72Å; G117-Y119 WeakPolarHBondContact O-CD2 3.39Å; G117-Y119 WeakPolarHBondContact O-CE2 3.46Å
120H93.3Very high94.1Very high54 Ų5450.6 Ų50.625%0.2527%0.265CS..EExtended strand (participates in β ladder)trans-119.8138.2162171.781.8000107.7H37 H38 F40 V113H37-H120 PolarHBondContact O-CE1 2.87Å; H37-H120 PolarHBondContact O-NE2 3.48Å; H37-H120 VanDerWaalsContact O-NE2 3.17Å; H38-H120 HydrophobicContact CB-CB 4.26Å; F40-H120 HydrophobicContact CE2-CB 3.66Å; F40-H120 HydrophobicContact CZ-CB 3.99Å; V113-H120 HydrophobicContact CB-CB 4.24Å; V113-H120 PolarHBondContact N-O 2.83Å; V113-H120 PolarHBondContact O-N 2.82Å
121W92.4Very high94.2Very high171 Ų17154.3 Ų54.365%0.64828%0.28SS*.EExtended strand (participates in β ladder)trans-139.5143.3177.169.1-83.9000110.4C111C111-W121 WeakPolarHBondContact O-CA 3.42Å
122S93.5Very high94.3Very high26 Ų2654.3 Ų54.318%0.18228%0.28CS..EExtended strand (participates in β ladder)trans-139154.6172.171.20000109.5P35 S110 C111P35-S122 PolarHBondContact O-OG 2.9Å; S110-S122 CarbonylContact C-O 3.59Å; S110-S122 WeakPolarHBondContact CA-O 3.33Å; C111-S122 VanDerWaalsContact CB-OG 3.3Å; C111-S122 WeakPolarHBondContact CB-OG 3.35Å; C111-S122 PolarHBondContact N-O 2.9Å; C111-S122 PolarHBondContact O-N 2.91Å; C111-S122 VanDerWaalsContact O-N 3.11Å
123Q94.5Very high94.4Very high60 Ų6052.5 Ų52.528%0.2828%0.275SS..EExtended strand (participates in β ladder)trans-133.4134.2179.7-170.3173.9-11.900110.8Q21 T22 Y109Q21-Q123 HydrophobicContact CG-CG 4.2Å; Q21-Q123 VanDerWaalsContact NE2-NE2 3.14Å; T22-Q123 PolarHBondContact N-O 3.2Å; Y109-Q123 CarbonylContact O-C 2.97Å; Y109-Q123 VanDerWaalsContact O-CA 3.29Å; Y109-Q123 WeakPolarHBondContact O-CA 3.24Å
124V96.3Very high94.4Very high2 Ų259.5 Ų59.51%0.01231%0.306CS..EExtended strand (participates in β ladder)trans-130.8125.2179.2-174.70000108.7T22 M24 L34 P35 Y109T22-V124 CarbonylContact O-C 3.51Å; T22-V124 VanDerWaalsContact O-CA 3.27Å; T22-V124 WeakPolarHBondContact O-CA 3.36Å; T22-V124 WeakPolarHBondContact O-CG1 3.43Å; M24-V124 HydrophobicContact CB-CG1 4.13Å; M24-V124 HydrophobicContact CE-CG1 4.29Å; L34-V124 HydrophobicContact CB-CG2 4.47Å; L34-V124 HydrophobicContact CD2-CG1 4.12Å; P35-V124 HydrophobicContact CG-CG2 4.48Å; Y109-V124 PolarHBondContact N-O 2.79Å; Y109-V124 PolarHBondContact O-N 2.81Å
125N96.6Very high94.6Very high35 Ų3557.4 Ų57.419%0.18730%0.297CS..EExtended strand (participates in β ladder)trans-87.6109.8167.6179.5-108.5000108.4Q21 T22 E23 M24 D108 I127Q21-N125 HydrophobicContact CG-CB 4.29Å; T22-N125 PolarHBondContact O-N 2.84Å; E23-N125 CarbonylContact C-O 3.55Å; E23-N125 WeakPolarHBondContact CA-O 3.21Å; M24-N125 PolarHBondContact N-O 3.38Å; D108-N125 WeakPolarHBondContact OD1-CB 3.44Å; D108-N125 PolarHBondContact OD1-ND2 3.26Å; N125-I127 WeakPolarHBondContact OD1-CD1 3.49Å; N125-I127 VanDerWaalsContact OD1-CG1 3.25Å; N125-I127 WeakPolarHBondContact OD1-CG1 3.38Å
126L96.9Very high94.8Very high1 Ų164.7 Ų64.71%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-93.4124.8175.7178.664.3000109.2M24 K26 A32 L34 I98 L101 S106 G107 Y109 V128M24-L126 HydrophobicContact CB-CD1 4.41Å; M24-L126 HydrophobicContact CG-CD1 4.38Å; M24-L126 WeakPolarHBondContact O-CA 3.34Å; M24-L126 HydrophobicContact SD-CD1 4.44Å; K26-L126 HydrophobicContact CB-CD1 4.32Å; K26-L126 HydrophobicContact CG-CD1 4.09Å; A32-L126 HydrophobicContact CB-CD1 4.26Å; A32-L126 HydrophobicContact CB-CD2 4.5Å; L34-L126 HydrophobicContact CD2-CD1 4.24Å; L34-L126 HydrophobicContact CD2-CD2 4.41Å; I98-L126 HydrophobicContact CD1-CD2 4Å; L101-L126 HydrophobicContact CD2-CD2 4.01Å; S106-L126 CarbonylContact C-O 3.57Å; S106-L126 VanDerWaalsContact CA-O 3.27Å; S106-L126 WeakPolarHBondContact CA-O 3.19Å; G107-L126 PolarHBondContact N-O 3.11Å; G107-L126 PolarHBondContact O-N 3.49Å; Y109-L126 HydrophobicContact CD2-CB 3.88Å; Y109-L126 HydrophobicContact CE2-CB 3.76Å; Y109-L126 HydrophobicContact CE2-CD2 3.85Å; Y109-L126 HydrophobicContact CE2-CG 4.42Å; L126-V128 HydrophobicContact CD2-CG2 4.23Å; L126-V128 HydrophobicContact CG-CG2 4.1Å
127I96.4Very high95.3Very high44 Ų4462.5 Ų62.523%0.22630%0.295CS..EExtended strand (participates in β ladder)trans-116.3113174.7-54.6176.6000107.7E23 M24 K25 K26 N125 L129E23-I127 HydrophobicContact CG-CD1 3.77Å; E23-I127 HydrophobicContact CG-CG1 4.42Å; M24-I127 PolarHBondContact O-N 3Å; K25-I127 CarbonylContact C-O 3.57Å; K25-I127 WeakPolarHBondContact CA-O 3.29Å; K25-I127 HydrophobicContact CG-CB 4.2Å; K25-I127 HydrophobicContact CG-CD1 4.44Å; K26-I127 PolarHBondContact N-O 3.16Å; N125-I127 WeakPolarHBondContact OD1-CD1 3.49Å; N125-I127 VanDerWaalsContact OD1-CG1 3.25Å; N125-I127 WeakPolarHBondContact OD1-CG1 3.38Å; I127-L129 HydrophobicContact CG2-CD2 3.77Å; I127-L129 HydrophobicContact CG2-CG 4.19Å
128V97.3Very high95.9Very high5 Ų567.6 Ų67.63%0.0330%0.296CS..EExtended strand (participates in β ladder)trans-96.5125.7175.8-172.50000108.9K26 V28 L101 L103 D105 S106 L126K26-V128 CarbonylContact O-C 3.56Å; K26-V128 WeakPolarHBondContact O-CA 3.38Å; V28-V128 HydrophobicContact CB-CG1 4.48Å; V28-V128 HydrophobicContact CG2-CG1 3.71Å; L101-V128 HydrophobicContact CB-CG1 4.06Å; L101-V128 HydrophobicContact CB-CG2 4.39Å; L101-V128 HydrophobicContact CD2-CG2 4.12Å; L103-V128 WeakPolarHBondContact CD2-O 3.38Å; D105-V128 HydrophobicContact CB-CG2 4.37Å; S106-V128 PolarHBondContact OG-N 2.95Å; L126-V128 HydrophobicContact CD2-CG2 4.23Å; L126-V128 HydrophobicContact CG-CG2 4.1Å
129L97.6Very high96.1Very high26 Ų2664.6 Ų64.614%0.13629%0.285CS..EExtended strand (participates in β ladder)trans-114.5150-176.2-57.5173.2000110.9K25 K26 V27 V28 I127 S159 V214K25-L129 HydrophobicContact CB-CD1 4.4Å; K25-L129 HydrophobicContact CD-CD1 4.25Å; K26-L129 PolarHBondContact O-N 3.44Å; V27-L129 CarbonylContact C-O 3.53Å; V27-L129 VanDerWaalsContact CA-O 3.27Å; V27-L129 WeakPolarHBondContact CA-O 3.28Å; V28-L129 PolarHBondContact N-O 3.5Å; I127-L129 HydrophobicContact CG2-CD2 3.77Å; I127-L129 HydrophobicContact CG2-CG 4.19Å; L129-S159 VanDerWaalsContact CA-OG 3.26Å; L129-S159 WeakPolarHBondContact CA-OG 3.46Å; L129-V214 HydrophobicContact CB-CG2 3.35Å; L129-V214 HydrophobicContact CD1-CG2 4.14Å; L129-V214 HydrophobicContact CG-CG2 4.39Å
130E97.3Very high96.3Very high50 Ų5062.4 Ų62.423%0.23428%0.284CS..  trans-124.2146.6172.565.1175.9-17100110.5V28 L103 G158 S159 N212V28-E130 HydrophobicContact CB-CB 4.49Å; V28-E130 HydrophobicContact CG2-CB 3.9Å; L103-E130 HydrophobicContact CD1-CG 4.25Å; L103-E130 WeakPolarHBondContact CD1-OE2 3.38Å; L103-E130 HydrophobicContact CD2-CB 4.11Å; L103-E130 HydrophobicContact CD2-CG 3.99Å; E130-G158 PolarHBondContact OE1-N 3.02Å; E130-S159 PolarHBondContact N-OG 3.21Å; E130-S159 PolarHBondContact O-N 2.93Å; E130-N212 PolarHBondContact O-ND2 3.25Å
131K97.2Very high96.2Very high94 Ų9462 Ų6241%0.40929%0.294SS..PPolyproline II helixtrans-69.2155.3174.7105.1177.3-176160.60110S133 V214 E217K131-S133 PolarHBondContact O-N 2.98Å; K131-V214 HydrophobicContact CB-CB 4.1Å; K131-V214 HydrophobicContact CB-CG1 3.79Å; K131-E217 HydrophobicContact CD-CG 4.49Å; K131-E217 VanDerWaalsContact CE-CG 3.49Å; K131-E217 WeakPolarHBondContact CE-OE1 3.46Å; K131-E217 IonicContact NZ-OE1 3.63Å; K131-E217 PolarHBondContact NZ-OE1 3.46Å
132P98Very high96.1Very high0 Ų057.6 Ų57.60%029%0.286CS..PPolyproline II helixtrans-59.8138.5176.9-19.934.6000110.9D157 I162 A210 N212 G215 E217P132-D157 WeakPolarHBondContact CA-O 3.41Å; P132-I162 HydrophobicContact CB-CD1 4.41Å; P132-I162 HydrophobicContact CB-CG2 4.41Å; P132-I162 HydrophobicContact CG-CG2 4.25Å; P132-A210 HydrophobicContact CB-CB 4.08Å; P132-N212 WeakPolarHBondContact CD-OD1 3.34Å; P132-N212 HydrophobicContact CG-CB 4.2Å; P132-G215 WeakPolarHBondContact CD-O 3.13Å; P132-E217 WeakPolarHBondContact O-CG 3.2Å
133S97.4Very high96Very high28 Ų2857.3 Ų57.320%0.19628%0.283CS..PPolyproline II helixtrans-68160.9171.370.20000110.8K131 P135 S155 S156 D157K131-S133 PolarHBondContact O-N 2.98Å; S133-P135 VanDerWaalsContact O-CD 3.29Å; S133-P135 WeakPolarHBondContact O-CD 3.49Å; S133-S155 WeakPolarHBondContact O-CB 3.12Å; S133-S155 PolarHBondContact O-OG 2.98Å; S133-S156 PolarHBondContact OG-N 3.15Å; S133-S156 VanDerWaalsContact OG-N 3.12Å; S133-S156 PolarHBondContact OG-OG 3.1Å; S133-D157 PolarHBondContact N-O 3.29Å; S133-D157 PolarHBondContact OG-N 2.89Å; S133-D157 VanDerWaalsContact OG-N 3.13Å; S133-D157 PolarHBondContact OG-O 2.8Å; S133-D157 PolarHBondContact OG-OD2 3.44Å
134K97.6Very high95.8Very high147 Ų14756.5 Ų56.564%0.63928%0.28SS*.PPolyproline II helixtrans-55.8116178.3-173171.8-176.11710110.2
135P97.6Very high95.4Very high6 Ų662.7 Ų62.74%0.03931%0.309CS..PPolyproline II helixtrans-66.6144.9-171.322.1-30.3000111.8S133 C137 C153 A210 C219S133-P135 VanDerWaalsContact O-CD 3.29Å; S133-P135 WeakPolarHBondContact O-CD 3.49Å; P135-C137 PolarHBondContact O-N 2.01Å; P135-C153 HydrophobicContact CB-CB 4.39Å; P135-A210 HydrophobicContact CB-CB 4.43Å; P135-A210 HydrophobicContact CG-CB 4.25Å; P135-C219 HydrophobicContact CG-CB 3.99Å; P135-C219 WeakPolarHBondContact O-CB 3.47Å; P135-C219 PolarHBondContact O-SG 2.02Å; P135-C219 VanDerWaalsContact O-SG 3.41Å
136R97.3Very high95.1Very high167 Ų16763 Ų6363%0.6332%0.32SS*.EExtended strand (participates in β ladder)trans-87.8107.3173.5-66.4-175.5-178.2-177.70.6109.5C153 K154R136-C153 WeakPolarHBondContact O-CA 3.5Å; R136-K154 PolarHBondContact N-O 3.25Å; R136-K154 PolarHBondContact O-N 3.3Å
137C97.2Very high94.8Very high34 Ų3468.5 Ų68.523%0.2334%0.344CS..EExtended strand (participates in β ladder)trans-81133.5175.7-940000111.4P135 S152 C219 I221P135-C137 PolarHBondContact O-N 2.01Å; C137-S152 CarbonylContact C-O 3.49Å; C137-S152 WeakPolarHBondContact CA-O 3.26Å; C137-C219 HydrophobicContact CB-CB 3.76Å; C137-C219 WeakPolarHBondContact CB-SG 3.15Å; C137-C219 VanDerWaalsContact SG-C 3.52Å; C137-C219 WeakPolarHBondContact SG-CB 3.27Å; C137-C219 CovalentContact SG-SG 2.02Å; C137-C219 PolarHBondContact SG-SG 3.48Å; C137-I221 HydrophobicContact CB-CD1 3.59Å; C137-I221 HydrophobicContact CB-CG1 3.42Å; C137-I221 VanDerWaalsContact CB-CG1 3.42Å
138R96.4Very high94.8Very high166 Ų16670.2 Ų70.263%0.62635%0.353SS*.EExtended strand (participates in β ladder)trans-137.1148.3175.6-60.4179178.4174.7-1.3111L151 S152R138-L151 WeakPolarHBondContact O-CA 3.49Å; R138-S152 WeakPolarHBondContact CB-OG 3.31Å; R138-S152 PolarHBondContact N-O 2.85Å; R138-S152 PolarHBondContact O-N 2.79Å; R138-S152 PolarHBondContact O-OG 3.4Å
139M96Very high94.6Very high78 Ų7870 Ų7038%0.38435%0.352SS..EExtended strand (participates in β ladder)trans-122.2132.5175.9177.9170.862.600109L143 V149 K150 L151 I221 V223M139-L143 HydrophobicContact CE-CD1 3.68Å; M139-L143 HydrophobicContact CE-CG 4.43Å; M139-L143 HydrophobicContact SD-CD1 4.07Å; M139-L143 HydrophobicContact SD-CD2 3.89Å; M139-L143 HydrophobicContact SD-CG 4.3Å; M139-V149 HydrophobicContact CG-CG1 3.55Å; M139-V149 HydrophobicContact SD-CG1 4.03Å; M139-K150 CarbonylContact C-O 3.51Å; M139-K150 WeakPolarHBondContact CA-O 3.29Å; M139-L151 HydrophobicContact CB-CD2 3.94Å; M139-L151 HydrophobicContact CG-CD2 3.71Å; M139-L151 HydrophobicContact SD-CD2 4.06Å; M139-I221 HydrophobicContact CB-CG2 4.3Å; M139-I221 HydrophobicContact SD-CG2 4.35Å; M139-V223 HydrophobicContact SD-CG2 4.2Å
140D95.5Very high94.6Very high117 Ų11774.1 Ų74.163%0.62637%0.369SS*.EExtended strand (participates in β ladder)trans-131.5136.5179.4-176.323.9000110.5V149 K150D140-V149 WeakPolarHBondContact O-CA 3.37Å; D140-K150 PolarHBondContact N-O 3.39Å; D140-K150 PolarHBondContact O-N 2.95Å
141G91.3Very high94.5Very high44 Ų4471.7 Ų71.745%0.45436%0.358SS..EExtended strand (participates in β ladder)trans113.3176.9-17300000113.9
142T89.3Confident94.5Very high80 Ų8068.9 Ų68.949%0.49135%0.35SS..  trans-104.4128.7-175.9-37.50000110.6L144T142-L144 HydrophobicContact CG2-CD1 3.67Å; T142-L144 HydrophobicContact CG2-CG 3.71Å; T142-L144 PolarHBondContact O-N 2.83Å
143L91.6Very high94.4Very high20 Ų2069 Ų6911%0.10535%0.35CS..  trans-8053.3-177.9-66.2167.5000112.6M139 V149 L198 V223 T224 Q226M139-L143 HydrophobicContact CE-CD1 3.68Å; M139-L143 HydrophobicContact CE-CG 4.43Å; M139-L143 HydrophobicContact SD-CD1 4.07Å; M139-L143 HydrophobicContact SD-CD2 3.89Å; M139-L143 HydrophobicContact SD-CG 4.3Å; L143-V149 HydrophobicContact CD2-CG1 4.47Å; L143-V149 HydrophobicContact CD2-CG2 4.03Å; L143-L198 HydrophobicContact CD2-CD1 4.16Å; L143-V223 HydrophobicContact CD2-CG1 3.68Å; L143-T224 WeakPolarHBondContact CD1-O 3.3Å; L143-Q226 PolarHBondContact O-N 3.34Å
144L90.4Very high94.3Very high42 Ų4273 Ų7322%0.2236%0.364CS..  trans-110.1150.8178.4-64.8174.1000110.5T142 G146 K147 Q226 V228T142-L144 HydrophobicContact CG2-CD1 3.67Å; T142-L144 HydrophobicContact CG2-CG 3.71Å; T142-L144 PolarHBondContact O-N 2.83Å; L144-G146 PolarHBondContact O-N 2.96Å; L144-K147 HydrophobicContact CB-CG 3.85Å; L144-K147 WeakPolarHBondContact O-CB 3.33Å; L144-K147 PolarHBondContact O-N 2.79Å; L144-K147 VanDerWaalsContact O-N 3.14Å; L144-Q226 HydrophobicContact CD2-CB 4.39Å; L144-V228 HydrophobicContact CD2-CB 4.35Å; L144-V228 HydrophobicContact CD2-CG1 3.81Å; L144-V228 HydrophobicContact CD2-CG2 3.67Å
145E89.5Confident94.3Very high132 Ų13266.4 Ų66.462%0.61734%0.337SS*.THydrogen-bonded Turntrans-57.3136.6177.6-164.6170.3-177.300111.2K147 L198 M225E145-K147 PolarHBondContact O-N 2.86Å; E145-L198 CarbonylContact C-O 3.5Å; E145-L198 WeakPolarHBondContact CA-O 3.43Å; E145-M225 HydrophobicContact CB-CE 3.54Å; E145-M225 HydrophobicContact CG-CE 3.98Å
146G88.9Confident94.2Very high41 Ų4169.7 Ų69.742%0.42336%0.36SS..THydrogen-bonded Turntrans76.5-3.3-178.600000115.8L144 N197 L198L144-G146 PolarHBondContact O-N 2.96Å; G146-N197 WeakPolarHBondContact CA-OD1 3.49Å; G146-L198 PolarHBondContact N-O 2.9Å
147K92.1Very high94.2Very high118 Ų11866 Ų6651%0.51335%0.353SS..  trans-89.9168.6176-60.7-57.9-175.1-177.80111.9L144 E145 N197 L198L144-K147 HydrophobicContact CB-CG 3.85Å; L144-K147 WeakPolarHBondContact O-CB 3.33Å; L144-K147 PolarHBondContact O-N 2.79Å; L144-K147 VanDerWaalsContact O-N 3.14Å; E145-K147 PolarHBondContact O-N 2.86Å; K147-N197 PolarHBondContact O-N 2.83Å; K147-L198 VanDerWaalsContact O-CG 3.29Å; K147-L198 WeakPolarHBondContact O-CG 3.46Å; K147-L198 PolarHBondContact O-N 3.46Å
148D94.4Very high94.1Very high79 Ų7965.1 Ų65.142%0.42235%0.349SS..  trans-108.4141.7175.9-68.61.6000109.8T194 L195 R196 N197D148-T194 HydrophobicContact CB-CG2 4.45Å; D148-L195 WeakPolarHBondContact CA-O 3.15Å; D148-R196 WeakPolarHBondContact OD1-CA 3.36Å; D148-N197 PolarHBondContact OD1-N 3.06Å
149V94.9Very high94.1Very high0 Ų058.1 Ų58.10%033%0.326CS..EExtended strand (participates in β ladder)trans-130.1137.9175.9163.20000110.1M139 D140 L143 L151 T194 L195 L198M139-V149 HydrophobicContact CG-CG1 3.55Å; M139-V149 HydrophobicContact SD-CG1 4.03Å; D140-V149 WeakPolarHBondContact O-CA 3.37Å; L143-V149 HydrophobicContact CD2-CG1 4.47Å; L143-V149 HydrophobicContact CD2-CG2 4.03Å; V149-L151 HydrophobicContact CG1-CD2 3.98Å; V149-T194 CarbonylContact O-C 3.58Å; V149-T194 WeakPolarHBondContact O-CA 3.27Å; V149-L195 PolarHBondContact N-O 3.02Å; V149-L195 PolarHBondContact O-N 3.27Å; V149-L198 HydrophobicContact CB-CD1 4.07Å; V149-L198 HydrophobicContact CG2-CD1 3.57Å
150K96.1Very high94.1Very high113 Ų11361.1 Ų61.149%0.49134%0.343SS..EExtended strand (participates in β ladder)trans-101.2127.8175.8-67.2-178.1179.3178.40109.8M139 D140 T194M139-K150 CarbonylContact C-O 3.51Å; M139-K150 WeakPolarHBondContact CA-O 3.29Å; D140-K150 PolarHBondContact N-O 3.39Å; D140-K150 PolarHBondContact O-N 2.95Å; K150-T194 HydrophobicContact CG-CG2 4.22Å
151L96.4Very high94.1Very high0 Ų060.3 Ų60.30%034%0.344CS..EExtended strand (participates in β ladder)trans-104.3136.5167.5-47.7-179.7000107.9R138 M139 V149 W166 I192 V193 L195 Y206 I221 V223R138-L151 WeakPolarHBondContact O-CA 3.49Å; M139-L151 HydrophobicContact CB-CD2 3.94Å; M139-L151 HydrophobicContact CG-CD2 3.71Å; M139-L151 HydrophobicContact SD-CD2 4.06Å; V149-L151 HydrophobicContact CG1-CD2 3.98Å; L151-W166 HydrophobicContact CB-CH2 3.62Å; L151-W166 HydrophobicContact CB-CZ2 4.1Å; L151-W166 HydrophobicContact CB-CZ3 3.93Å; L151-W166 HydrophobicContact CD1-CZ3 4.17Å; L151-I192 WeakPolarHBondContact O-CA 3.32Å; L151-V193 HydrophobicContact CB-CG1 3.71Å; L151-V193 HydrophobicContact CD1-CG1 4.14Å; L151-V193 HydrophobicContact CG-CG1 4.23Å; L151-V193 PolarHBondContact N-O 2.9Å; L151-V193 PolarHBondContact O-N 2.81Å; L151-L195 HydrophobicContact CD1-CD1 3.97Å; L151-L195 HydrophobicContact CD1-CG 4.32Å; L151-L195 HydrophobicContact CG-CD1 4.39Å; L151-Y206 HydrophobicContact CD1-CD1 3.97Å; L151-Y206 HydrophobicContact CD1-CD2 4.2Å; L151-Y206 HydrophobicContact CD1-CG 3.73Å; L151-I221 HydrophobicContact CB-CD1 4.28Å; L151-I221 HydrophobicContact CD2-CD1 4.28Å; L151-I221 HydrophobicContact CD2-CG2 4.31Å; L151-V223 HydrophobicContact CD1-CG2 4.29Å; L151-V223 HydrophobicContact CD2-CG2 4.15Å
152S96.3Very high94.3Very high35 Ų3559.8 Ų59.825%0.24533%0.331CS..EExtended strand (participates in β ladder)trans-134.2145.5178.556.50000110.4C137 R138 E191C137-S152 CarbonylContact C-O 3.49Å; C137-S152 WeakPolarHBondContact CA-O 3.26Å; R138-S152 WeakPolarHBondContact CB-OG 3.31Å; R138-S152 PolarHBondContact N-O 2.85Å; R138-S152 PolarHBondContact O-N 2.79Å; R138-S152 PolarHBondContact O-OG 3.4Å; S152-E191 CarbonylContact C-O 3.58Å; S152-E191 WeakPolarHBondContact CA-O 3.4Å
153C96.2Very high94.6Very high1 Ų159.1 Ų59.11%0.00733%0.33CS..EExtended strand (participates in β ladder)trans-140.3135.8175.159.10000109.1P135 R136 W166 E191 C208P135-C153 HydrophobicContact CB-CB 4.39Å; R136-C153 WeakPolarHBondContact O-CA 3.5Å; C153-W166 HydrophobicContact CB-CH2 4.06Å; C153-W166 HydrophobicContact CB-CZ2 3.7Å; C153-W166 VanDerWaalsContact SG-CE2 3.55Å; C153-W166 WeakPolarHBondContact SG-CZ2 3.48Å; C153-E191 PolarHBondContact N-O 3.48Å; C153-E191 VanDerWaalsContact O-CB 3.31Å; C153-E191 WeakPolarHBondContact O-CB 3.37Å; C153-C208 HydrophobicContact CB-CB 3.41Å; C153-C208 VanDerWaalsContact CB-CB 3.41Å; C153-C208 WeakPolarHBondContact CB-SG 3.25Å; C153-C208 WeakPolarHBondContact SG-CB 3.47Å; C153-C208 CovalentContact SG-SG 2.01Å; C153-C208 PolarHBondContact SG-SG 3.04Å
154K95.8Very high94.8Very high113 Ų11359.6 Ų59.649%0.49133%0.33SS..EExtended strand (participates in β ladder)trans-148.3130.2178.6-173.3171.3-166.8111.30110.9R136 E191R136-K154 PolarHBondContact N-O 3.25Å; R136-K154 PolarHBondContact O-N 3.3Å; K154-E191 IonicContact NZ-OE1 3.27Å; K154-E191 PolarHBondContact NZ-OE1 2.77Å; K154-E191 IonicContact NZ-OE2 3.39Å; K154-E191 PolarHBondContact NZ-OE2 2.85Å; K154-E191 VanDerWaalsContact NZ-OE2 3.17Å
155S97.5Very high95Very high9 Ų963.8 Ų63.86%0.06335%0.347CS..  trans-81.3141.2169.7-65.50000109.8S133 Y164 A210S133-S155 WeakPolarHBondContact O-CB 3.12Å; S133-S155 PolarHBondContact O-OG 2.98Å; S155-Y164 PolarHBondContact N-OH 2.93Å; S155-A210 WeakPolarHBondContact OG-CB 3.43Å
156S95.9Very high95.2Very high75 Ų7557.9 Ų57.952%0.52432%0.319SS..SBendtrans-79.6-31.5177.448.20000112.6S133S133-S156 PolarHBondContact OG-N 3.15Å; S133-S156 VanDerWaalsContact OG-N 3.12Å; S133-S156 PolarHBondContact OG-OG 3.1Å
157D95.9Very high95.4Very high90 Ų9056.7 Ų56.748%0.48130%0.302SS..SBendtrans-135.8162.5-172.7-40.6-76.4000108P132 S133P132-D157 WeakPolarHBondContact CA-O 3.41Å; S133-D157 PolarHBondContact N-O 3.29Å; S133-D157 PolarHBondContact OG-N 2.89Å; S133-D157 VanDerWaalsContact OG-N 3.13Å; S133-D157 PolarHBondContact OG-O 2.8Å; S133-D157 PolarHBondContact OG-OD2 3.44Å
158G96Very high95.3Very high15 Ų1553.7 Ų53.716%0.15529%0.288CS..  trans134.7138-169.500000112E130E130-G158 PolarHBondContact OE1-N 3.02Å
159S97.1Very high95Very high18 Ų1850.7 Ų50.713%0.12627%0.272CS..PPolyproline II helixtrans-74.7138172.6-600000112.2L129 E130 N212L129-S159 VanDerWaalsContact CA-OG 3.26Å; L129-S159 WeakPolarHBondContact CA-OG 3.46Å; E130-S159 PolarHBondContact N-OG 3.21Å; E130-S159 PolarHBondContact O-N 2.93Å; S159-N212 PolarHBondContact N-ND2 3.48Å; S159-N212 WeakPolarHBondContact O-CB 3.36Å; S159-N212 PolarHBondContact O-ND2 2.94Å
160D94.5Very high94Very high142 Ų14254.3 Ų54.376%0.75929%0.291SS*.SBendtrans-70.9152.3176.7-75.5-54.2000113
161P95.4Very high92.5Very high99 Ų9956.7 Ų56.764%0.64331%0.309SS*.PPolyproline II helixcis-83.9131.1-4.731.9-32.4000112.4
162I96.3Very high90.8Very high33 Ų3366.2 Ų66.217%0.16935%0.351CS..PPolyproline II helixtrans-89124.3172.2-54.8176.3000109.8P132 Y164 A210P132-I162 HydrophobicContact CB-CD1 4.41Å; P132-I162 HydrophobicContact CB-CG2 4.41Å; P132-I162 HydrophobicContact CG-CG2 4.25Å; I162-Y164 HydrophobicContact CB-CE2 4.26Å; I162-Y164 HydrophobicContact CG2-CD2 4.38Å; I162-Y164 HydrophobicContact CG2-CE1 4.35Å; I162-Y164 HydrophobicContact CG2-CE2 3.79Å; I162-A210 HydrophobicContact CG2-CB 4.05Å
163S95.7Very high88.9Confident67 Ų6767.2 Ų67.247%0.46937%0.366SS..EExtended strand (participates in β ladder)trans-96.9139.9173.668.20000111.1A210 S211S163-A210 CarbonylContact O-C 3.41Å; S163-A210 WeakPolarHBondContact O-CA 3.46Å; S163-S211 PolarHBondContact N-O 3.46Å; S163-S211 PolarHBondContact O-N 3.46Å; S163-S211 PolarHBondContact OG-O 3.32Å
164Y95.9Very high87.2Confident29 Ų2974.6 Ų74.611%0.11440%0.398CS..EExtended strand (participates in β ladder)trans-116.8133178.7-66.3-88000110.5S155 I162 E191 T209 A210S155-Y164 PolarHBondContact N-OH 2.93Å; I162-Y164 HydrophobicContact CB-CE2 4.26Å; I162-Y164 HydrophobicContact CG2-CD2 4.38Å; I162-Y164 HydrophobicContact CG2-CE1 4.35Å; I162-Y164 HydrophobicContact CG2-CE2 3.79Å; Y164-E191 HydrophobicContact CD1-CG 4.48Å; Y164-E191 HydrophobicContact CD2-CG 3.59Å; Y164-E191 HydrophobicContact CE1-CG 4.42Å; Y164-E191 HydrophobicContact CE2-CG 3.53Å; Y164-E191 HydrophobicContact CG-CG 4.07Å; Y164-T209 WeakPolarHBondContact CA-O 3.44Å; Y164-A210 HydrophobicContact CD1-CB 3.88Å; Y164-A210 HydrophobicContact CE1-CB 3.62Å
165K94Very high85.6Confident130 Ų13070.7 Ų70.757%0.56539%0.385SS*.EExtended strand (participates in β ladder)trans-131128.7179.4-176-179.3176.4-174.30110.7C208 T209K165-C208 CarbonylContact O-C 3.6Å; K165-C208 WeakPolarHBondContact O-CA 3.49Å; K165-T209 PolarHBondContact N-O 3.23Å; K165-T209 PolarHBondContact O-N 2.92Å
166W94.3Very high84Confident8 Ų875 Ų753%0.0341%0.407CS..EExtended strand (participates in β ladder)trans-103.1138176-74.795.2000111.7L151 C153 L179 P190 E191 V193 R207 C208 I221L151-W166 HydrophobicContact CB-CH2 3.62Å; L151-W166 HydrophobicContact CB-CZ2 4.1Å; L151-W166 HydrophobicContact CB-CZ3 3.93Å; L151-W166 HydrophobicContact CD1-CZ3 4.17Å; C153-W166 HydrophobicContact CB-CH2 4.06Å; C153-W166 HydrophobicContact CB-CZ2 3.7Å; C153-W166 VanDerWaalsContact SG-CE2 3.55Å; C153-W166 WeakPolarHBondContact SG-CZ2 3.48Å; W166-L179 HydrophobicContact CB-CD1 3.99Å; W166-L179 HydrophobicContact CB-CD2 4.22Å; W166-P190 PolarHBondContact NE1-O 3.34Å; W166-E191 PolarHBondContact NE1-O 2.9Å; W166-V193 HydrophobicContact CB-CB 4.46Å; W166-V193 HydrophobicContact CB-CG1 4.29Å; W166-V193 HydrophobicContact CD2-CB 4.26Å; W166-V193 HydrophobicContact CD2-CG1 3.47Å; W166-V193 VanDerWaalsContact CD2-CG1 3.47Å; W166-V193 HydrophobicContact CE3-CG1 3.83Å; W166-V193 HydrophobicContact CG-CB 3.99Å; W166-V193 HydrophobicContact CG-CG1 3.69Å; W166-V193 HydrophobicContact CZ2-CG1 4.22Å; W166-V193 HydrophobicContact CZ3-CG1 4.36Å; W166-R207 WeakPolarHBondContact CA-O 3.36Å; W166-C208 HydrophobicContact CD2-CB 3.81Å; W166-C208 HydrophobicContact CE3-CB 3.76Å; W166-C208 HydrophobicContact CH2-CB 3.72Å; W166-C208 HydrophobicContact CZ2-CB 3.77Å; W166-C208 HydrophobicContact CZ3-CB 3.71Å; W166-I221 HydrophobicContact CH2-CD1 4.08Å; W166-I221 HydrophobicContact CZ3-CD1 4.45Å
167E92.4Very high82.5Confident17 Ų1773.7 Ų73.78%0.07941%0.405CS..EExtended strand (participates in β ladder)trans-148.8156.917561.9-173.3174.100111.5S175 Y206 R207E167-S175 WeakPolarHBondContact OE2-CB 3.43Å; E167-S175 PolarHBondContact OE2-OG 3.45Å; E167-Y206 CarbonylContact O-C 3.57Å; E167-Y206 WeakPolarHBondContact O-CA 3.44Å; E167-R207 HydrophobicContact CG-CB 4.04Å; E167-R207 PolarHBondContact N-O 3.39Å; E167-R207 PolarHBondContact O-N 2.61Å; E167-R207 IonicContact OE1-CZ 3.08Å; E167-R207 IonicContact OE1-NE 2.71Å; E167-R207 PolarHBondContact OE1-NE 2.72Å; E167-R207 IonicContact OE1-NH2 2.65Å; E167-R207 PolarHBondContact OE1-NH2 2.83Å
168R90.1Very high81.6Confident54 Ų5476.1 Ų76.120%0.20441%0.412CS..EExtended strand (participates in β ladder)trans-94.3130.9172.1-171.1175.6175.41780.2109.8L176 D201 T203 Y206R168-L176 PolarHBondContact O-N 2.71Å; R168-L176 VanDerWaalsContact O-N 3.07Å; R168-D201 PolarHBondContact NH1-O 3.46Å; R168-D201 PolarHBondContact NH2-O 3.41Å; R168-T203 PolarHBondContact NH2-O 2.91Å; R168-Y206 HydrophobicContact CB-CE1 4.48Å
169V88.1Confident81.1Confident17 Ų1776.7 Ų76.710%0.10341%0.411CS..EExtended strand (participates in β ladder)trans-99.6136.8179.3-168.60000108.9V205 R207V169-V205 HydrophobicContact CB-CB 4.42Å; V169-V205 HydrophobicContact CB-CG1 4.43Å; V169-V205 PolarHBondContact N-O 3.35Å; V169-R207 HydrophobicContact CG2-CB 3.48Å; V169-R207 VanDerWaalsContact CG2-CB 3.48Å
170L74.1Confident80.6Confident76 Ų7677.1 Ų77.140%0.39841%0.414SS..PPolyproline II helixtrans-85.2157.5170.6-69.8170.2000110.8K172 G173 K174 L176L170-K172 PolarHBondContact O-N 3.43Å; L170-G173 PolarHBondContact O-N 2.88Å; L170-K174 WeakPolarHBondContact CB-O 3.45Å; L170-K174 PolarHBondContact N-O 2.88Å; L170-L176 HydrophobicContact CD1-CD1 4.08Å; L170-L176 HydrophobicContact CD1-CD2 4.05Å; L170-L176 HydrophobicContact CD1-CG 3.65Å; L170-L176 HydrophobicContact CD2-CD1 3.46Å; L170-L176 VanDerWaalsContact CD2-CD1 3.46Å; L170-L176 HydrophobicContact CD2-CG 4.02Å; L170-L176 HydrophobicContact CG-CD1 3.66Å; L170-L176 HydrophobicContact CG-CG 3.66Å
171D64.7Low80Confident163 Ų16377 Ų7787%0.87241%0.413SS*.THydrogen-bonded Turntrans-54.1-15.4179-56.2-31.5000114.9
172K60.8Low79.5Confident200 Ų20076.8 Ų76.887%0.8741%0.406SS*.THydrogen-bonded Turntrans-94.213.9175.3-60.9-172.1179.9-176.10114.3L170 K174L170-K172 PolarHBondContact O-N 3.43Å; K172-K174 PolarHBondContact O-N 2.78Å; K172-K174 VanDerWaalsContact O-N 3.09Å
173G57Low79.1Confident55 Ų5576 Ų7657%0.56741%0.405SS*.SBendtrans69.82-177.100000114.7L170L170-G173 PolarHBondContact O-N 2.88Å
174K59.9Low78.9Confident156 Ų15676.4 Ų76.468%0.67840%0.401SS*.  trans-83.7123.2175.6-165.9173.3-177.5178.80108.8L170 K172L170-K174 WeakPolarHBondContact CB-O 3.45Å; L170-K174 PolarHBondContact N-O 2.88Å; K172-K174 PolarHBondContact O-N 2.78Å; K172-K174 VanDerWaalsContact O-N 3.09Å
175S62.4Low78.6Confident32 Ų3278.7 Ų78.722%0.22441%0.414CS..BIsolated β-bridgetrans-70.5130.8171.9-175.80000109.6E167 G177E167-S175 WeakPolarHBondContact OE2-CB 3.43Å; E167-S175 PolarHBondContact OE2-OG 3.45Å; S175-G177 PolarHBondContact O-N 3.05Å; S175-G177 PolarHBondContact OG-N 2.84Å
176L63.3Low78.3Confident98 Ų9876.1 Ų76.151%0.51341%0.407SS..  trans-70.4-18166-88.6161.5000111.1R168 L170 K178R168-L176 PolarHBondContact O-N 2.71Å; R168-L176 VanDerWaalsContact O-N 3.07Å; L170-L176 HydrophobicContact CD1-CD1 4.08Å; L170-L176 HydrophobicContact CD1-CD2 4.05Å; L170-L176 HydrophobicContact CD1-CG 3.65Å; L170-L176 HydrophobicContact CD2-CD1 3.46Å; L170-L176 VanDerWaalsContact CD2-CD1 3.46Å; L170-L176 HydrophobicContact CD2-CG 4.02Å; L170-L176 HydrophobicContact CG-CD1 3.66Å; L170-L176 HydrophobicContact CG-CG 3.66Å; L176-K178 PolarHBondContact O-N 3.28Å
177G64.1Low77.9Confident48 Ų4883.7 Ų83.750%0.49545%0.447SS..  trans66.5-12-174.400000114.5S175S175-G177 PolarHBondContact O-N 3.05Å; S175-G177 PolarHBondContact OG-N 2.84Å
178K77.4Confident77.6Confident142 Ų14292.3 Ų92.362%0.61748%0.484SS*.  trans-115.3121.9-175.8-159.2-179.4178.1-172.40110.9L176L176-K178 PolarHBondContact O-N 3.28Å
179L85.9Confident77.5Confident26 Ų2692.1 Ų92.114%0.13649%0.487CS..  trans-67161.7168.6-69.6165.6000110.6W166 A183 I185 V193 Y206W166-L179 HydrophobicContact CB-CD1 3.99Å; W166-L179 HydrophobicContact CB-CD2 4.22Å; L179-A183 HydrophobicContact CB-CB 3.69Å; L179-A183 HydrophobicContact CD1-CB 4.32Å; L179-A183 HydrophobicContact CG-CB 4.48Å; L179-I185 HydrophobicContact CD1-CD1 3.84Å; L179-I185 HydrophobicContact CD1-CG1 3.93Å; L179-V193 HydrophobicContact CD1-CG2 3.9Å; L179-Y206 HydrophobicContact CD2-CD1 3.87Å; L179-Y206 HydrophobicContact CD2-CE1 4.04Å
180P85.2Confident77.6Confident28 Ų2893.5 Ų93.518%0.18250%0.497CS..  trans-51.1148.5170.5-23.832000111.8L182 A183 L195 Y206P180-L182 PolarHBondContact O-N 3.17Å; P180-A183 HydrophobicContact CB-CB 4.49Å; P180-A183 WeakPolarHBondContact O-CB 3.29Å; P180-A183 PolarHBondContact O-N 2.8Å; P180-L195 HydrophobicContact CG-CD2 4.32Å; P180-Y206 HydrophobicContact CG-CE1 4.08Å; P180-Y206 WeakPolarHBondContact CG-OH 3.47Å
181N82.9Confident78.5Confident140 Ų14091.4 Ų91.475%0.74949%0.485SS*.THydrogen-bonded Turntrans-58.7-27-174.1-67.3-34.5000114
182L85.2Confident80Confident93 Ų9385.9 Ų85.949%0.48746%0.455SS..THydrogen-bonded Turntrans-94.75.2178.7-59-178.8000113.4P180 R196 N197P180-L182 PolarHBondContact O-N 3.17Å; L182-R196 HydrophobicContact CB-CB 4.34Å; L182-R196 WeakPolarHBondContact CB-O 3.23Å; L182-R196 PolarHBondContact O-N 3.44Å; L182-N197 HydrophobicContact CD1-CB 3.91Å
183A88.7Confident81.6Confident18 Ų1876.4 Ų76.415%0.14941%0.413CS..EExtended strand (participates in β ladder)trans-74.5134.3173.700000110.3L179 P180 V193 T194 L195L179-A183 HydrophobicContact CB-CB 3.69Å; L179-A183 HydrophobicContact CD1-CB 4.32Å; L179-A183 HydrophobicContact CG-CB 4.48Å; P180-A183 HydrophobicContact CB-CB 4.49Å; P180-A183 WeakPolarHBondContact O-CB 3.29Å; P180-A183 PolarHBondContact O-N 2.8Å; A183-V193 HydrophobicContact CB-CG2 4.2Å; A183-T194 CarbonylContact C-O 3.54Å; A183-T194 VanDerWaalsContact CA-O 3.31Å; A183-T194 WeakPolarHBondContact CA-O 3.35Å; A183-L195 HydrophobicContact CB-CD2 3.74Å
184L90.9Very high83.5Confident74 Ų7475 Ų7539%0.38739%0.394SS..EExtended strand (participates in β ladder)trans-122.9122.2179.1-63.2175.9000110.1V193 T194 R196L184-V193 WeakPolarHBondContact O-CA 3.45Å; L184-T194 PolarHBondContact N-O 3.16Å; L184-T194 PolarHBondContact O-N 2.84Å; L184-R196 HydrophobicContact CD1-CG 4.45Å
185I89.5Confident85.1Confident77 Ų7767.7 Ų67.740%0.39536%0.363SS..EExtended strand (participates in β ladder)trans-87.8131.1171.5-58.4172.3000107.4L179 L187 P190 V193L179-I185 HydrophobicContact CD1-CD1 3.84Å; L179-I185 HydrophobicContact CD1-CG1 3.93Å; I185-L187 PolarHBondContact O-N 2.89Å; I185-P190 HydrophobicContact CG2-CB 4.47Å; I185-V193 HydrophobicContact CG1-CB 4.48Å; I185-V193 HydrophobicContact CG1-CG2 4.08Å
186D87.5Confident86.7Confident77 Ų7772.2 Ų72.241%0.41238%0.375SS..  trans-74.7109.6170.7-173.7-11.6000109K188 N189 P190 I192D186-K188 PolarHBondContact O-N 3.46Å; D186-K188 WeakPolarHBondContact OD1-CB 3.39Å; D186-K188 PolarHBondContact OD1-N 3.49Å; D186-N189 HydrophobicContact CB-CB 4.41Å; D186-N189 CarbonylContact O-C 3.35Å; D186-N189 PolarHBondContact O-N 3.13Å; D186-N189 PolarHBondContact OD1-N 2.98Å; D186-P190 WeakPolarHBondContact O-CA 3.24Å; D186-P190 VanDerWaalsContact O-N 3.07Å; D186-I192 PolarHBondContact N-O 2.8Å
187L84.8Confident88Confident167 Ų16771.5 Ų71.587%0.87437%0.371SS*.THydrogen-bonded Turntrans-63.7-22.5180-64.4176.3000112.8I185I185-L187 PolarHBondContact O-N 2.89Å
188K87.1Confident89.3Confident197 Ų19769.2 Ų69.286%0.85735%0.348SS*.THydrogen-bonded Turntrans-83.5-25.6173.9-65.2-174.5178.1-173.40112.1D186D186-K188 PolarHBondContact O-N 3.46Å; D186-K188 WeakPolarHBondContact OD1-CB 3.39Å; D186-K188 PolarHBondContact OD1-N 3.49Å
189N88.3Confident89.9Confident50 Ų5064.8 Ų64.827%0.26733%0.333SS..  trans-138.276.7178.9-164.326000111.2D186 E191 I192D186-N189 HydrophobicContact CB-CB 4.41Å; D186-N189 CarbonylContact O-C 3.35Å; D186-N189 PolarHBondContact O-N 3.13Å; D186-N189 PolarHBondContact OD1-N 2.98Å; N189-E191 PolarHBondContact O-N 3.12Å; N189-E191 WeakPolarHBondContact OD1-CB 3.35Å; N189-I192 VanDerWaalsContact ND2-CD1 3.29Å; N189-I192 WeakPolarHBondContact ND2-CD1 3.25Å; N189-I192 PolarHBondContact O-N 3.04Å
190P89.5Confident89.9Confident46 Ų4668 Ų6830%0.29935%0.348SS..THydrogen-bonded Turntrans-64.2-9.2-176.126.5-34.8000113.4W166 I185 D186 I192W166-P190 PolarHBondContact NE1-O 3.34Å; I185-P190 HydrophobicContact CG2-CB 4.47Å; D186-P190 WeakPolarHBondContact O-CA 3.24Å; D186-P190 VanDerWaalsContact O-N 3.07Å; P190-I192 PolarHBondContact O-N 2.79Å
191E94.4Very high89.9Confident33 Ų3372.8 Ų72.815%0.15437%0.372CS..THydrogen-bonded Turntrans-54.7-26165-65.3-177.5-176.200112.6S152 C153 K154 Y164 W166 N189S152-E191 CarbonylContact C-O 3.58Å; S152-E191 WeakPolarHBondContact CA-O 3.4Å; C153-E191 PolarHBondContact N-O 3.48Å; C153-E191 VanDerWaalsContact O-CB 3.31Å; C153-E191 WeakPolarHBondContact O-CB 3.37Å; K154-E191 IonicContact NZ-OE1 3.27Å; K154-E191 PolarHBondContact NZ-OE1 2.77Å; K154-E191 IonicContact NZ-OE2 3.39Å; K154-E191 PolarHBondContact NZ-OE2 2.85Å; K154-E191 VanDerWaalsContact NZ-OE2 3.17Å; Y164-E191 HydrophobicContact CD1-CG 4.48Å; Y164-E191 HydrophobicContact CD2-CG 3.59Å; Y164-E191 HydrophobicContact CE1-CG 4.42Å; Y164-E191 HydrophobicContact CE2-CG 3.53Å; Y164-E191 HydrophobicContact CG-CG 4.07Å; W166-E191 PolarHBondContact NE1-O 2.9Å; N189-E191 PolarHBondContact O-N 3.12Å; N189-E191 WeakPolarHBondContact OD1-CB 3.35Å
192I95.1Very high90.2Very high47 Ų4766.6 Ų66.624%0.24134%0.34CS..EExtended strand (participates in β ladder)trans-117.5132.2-172.3-55.9179000111.9L151 D186 N189 P190L151-I192 WeakPolarHBondContact O-CA 3.32Å; D186-I192 PolarHBondContact N-O 2.8Å; N189-I192 VanDerWaalsContact ND2-CD1 3.29Å; N189-I192 WeakPolarHBondContact ND2-CD1 3.25Å; N189-I192 PolarHBondContact O-N 3.04Å; P190-I192 PolarHBondContact O-N 2.79Å
193V95.5Very high90.3Very high0 Ų064.4 Ų64.40%033%0.33CS..EExtended strand (participates in β ladder)trans-122134.5166.765.10000110.3L151 W166 L179 A183 L184 I185L151-V193 HydrophobicContact CB-CG1 3.71Å; L151-V193 HydrophobicContact CD1-CG1 4.14Å; L151-V193 HydrophobicContact CG-CG1 4.23Å; L151-V193 PolarHBondContact N-O 2.9Å; L151-V193 PolarHBondContact O-N 2.81Å; W166-V193 HydrophobicContact CB-CB 4.46Å; W166-V193 HydrophobicContact CB-CG1 4.29Å; W166-V193 HydrophobicContact CD2-CB 4.26Å; W166-V193 HydrophobicContact CD2-CG1 3.47Å; W166-V193 VanDerWaalsContact CD2-CG1 3.47Å; W166-V193 HydrophobicContact CE3-CG1 3.83Å; W166-V193 HydrophobicContact CG-CB 3.99Å; W166-V193 HydrophobicContact CG-CG1 3.69Å; W166-V193 HydrophobicContact CZ2-CG1 4.22Å; W166-V193 HydrophobicContact CZ3-CG1 4.36Å; L179-V193 HydrophobicContact CD1-CG2 3.9Å; A183-V193 HydrophobicContact CB-CG2 4.2Å; L184-V193 WeakPolarHBondContact O-CA 3.45Å; I185-V193 HydrophobicContact CG1-CB 4.48Å; I185-V193 HydrophobicContact CG1-CG2 4.08Å
194T95.6Very high90.4Very high26 Ų2664.3 Ų64.316%0.1633%0.331CS..EExtended strand (participates in β ladder)trans-104.6119.4175.3-53.40000109.6D148 V149 K150 A183 L184 R196D148-T194 HydrophobicContact CB-CG2 4.45Å; V149-T194 CarbonylContact O-C 3.58Å; V149-T194 WeakPolarHBondContact O-CA 3.27Å; K150-T194 HydrophobicContact CG-CG2 4.22Å; A183-T194 CarbonylContact C-O 3.54Å; A183-T194 VanDerWaalsContact CA-O 3.31Å; A183-T194 WeakPolarHBondContact CA-O 3.35Å; L184-T194 PolarHBondContact N-O 3.16Å; L184-T194 PolarHBondContact O-N 2.84Å; T194-R196 HydrophobicContact CG2-CG 4.05Å
195L94.8Very high90.5Very high3 Ų362.7 Ų62.72%0.01632%0.324CS..EExtended strand (participates in β ladder)trans-85.9108168.8-55.3-176.8000108D148 V149 L151 P180 A183 L198 Y206 V223D148-L195 WeakPolarHBondContact CA-O 3.15Å; V149-L195 PolarHBondContact N-O 3.02Å; V149-L195 PolarHBondContact O-N 3.27Å; L151-L195 HydrophobicContact CD1-CD1 3.97Å; L151-L195 HydrophobicContact CD1-CG 4.32Å; L151-L195 HydrophobicContact CG-CD1 4.39Å; P180-L195 HydrophobicContact CG-CD2 4.32Å; A183-L195 HydrophobicContact CB-CD2 3.74Å; L195-L198 HydrophobicContact CB-CD2 3.86Å; L195-L198 HydrophobicContact CD1-CD2 4.35Å; L195-Y206 HydrophobicContact CD1-CE1 3.91Å; L195-Y206 HydrophobicContact CD1-CE2 4.05Å; L195-Y206 HydrophobicContact CD2-CE1 3.77Å; L195-Y206 HydrophobicContact CG-CE1 4.48Å; L195-V223 HydrophobicContact CD1-CG1 4.45Å; L195-V223 HydrophobicContact CD1-CG2 4.28Å
196R94.6Very high90.6Very high127 Ų12759 Ų5948%0.47931%0.305SS..  trans-91.9148.2179.8-65.8-167171.9158.26.2112.6D148 L182 L184 T194D148-R196 WeakPolarHBondContact OD1-CA 3.36Å; L182-R196 HydrophobicContact CB-CB 4.34Å; L182-R196 WeakPolarHBondContact CB-O 3.23Å; L182-R196 PolarHBondContact O-N 3.44Å; L184-R196 HydrophobicContact CD1-CG 4.45Å; T194-R196 HydrophobicContact CG2-CG 4.05Å
197N91.6Very high91Very high83 Ų8358.3 Ų58.344%0.44430%0.297SS..SBendtrans48.966.6174.8-1735.2000111.1G146 K147 D148 L182 T199G146-N197 WeakPolarHBondContact CA-OD1 3.49Å; K147-N197 PolarHBondContact O-N 2.83Å; D148-N197 PolarHBondContact OD1-N 3.06Å; L182-N197 HydrophobicContact CD1-CB 3.91Å; N197-T199 PolarHBondContact O-N 2.85Å
198L91.3Very high91.5Very high0 Ų050.4 Ų50.40%026%0.255CS..  trans-56.6132.3-177-71.4176.8000111.3L143 E145 G146 K147 V149 L195 M225L143-L198 HydrophobicContact CD2-CD1 4.16Å; E145-L198 CarbonylContact C-O 3.5Å; E145-L198 WeakPolarHBondContact CA-O 3.43Å; G146-L198 PolarHBondContact N-O 2.9Å; K147-L198 VanDerWaalsContact O-CG 3.29Å; K147-L198 WeakPolarHBondContact O-CG 3.46Å; K147-L198 PolarHBondContact O-N 3.46Å; V149-L198 HydrophobicContact CB-CD1 4.07Å; V149-L198 HydrophobicContact CG2-CD1 3.57Å; L195-L198 HydrophobicContact CB-CD2 3.86Å; L195-L198 HydrophobicContact CD1-CD2 4.35Å; L198-M225 HydrophobicContact CB-SD 4.31Å
199T89.6Confident91.9Very high49 Ų4941.8 Ų41.830%0.30122%0.219SC..  trans-130.2165.8173.964.60000109.3N197 D201 S202N197-T199 PolarHBondContact O-N 2.85Å; T199-D201 PolarHBondContact O-N 2.88Å; T199-S202 PolarHBondContact N-OG 2.94Å; T199-S202 WeakPolarHBondContact O-CA 3.4Å; T199-S202 WeakPolarHBondContact O-CB 3.46Å; T199-S202 PolarHBondContact O-N 2.85Å; T199-S202 PolarHBondContact O-OG 2.77Å
200M86.1Confident92.4Very high94 Ų9439.4 Ų39.446%0.46321%0.206SC..G310 helixtrans-52.3-32.3-179.6-70.4-62.3-72.400112.7S202 T203 M225M200-S202 PolarHBondContact O-N 2.92Å; M200-T203 WeakPolarHBondContact O-CB 3.25Å; M200-T203 PolarHBondContact O-N 2.92Å; M200-T203 PolarHBondContact O-OG1 2.89Å; M200-T203 VanDerWaalsContact O-OG1 3.13Å; M200-M225 PolarHBondContact N-SD 2.94Å; M200-M225 VanDerWaalsContact N-SD 3.35Å; M200-M225 HydrophobicContact SD-CB 4.08Å; M200-M225 HydrophobicContact SD-CE 4.2Å; M200-M225 HydrophobicContact SD-SD 4.25Å
201D84.6Confident92.8Very high128 Ų12838.9 Ų38.968%0.68420%0.204SC*.G310 helixtrans-67.5-16.1175.9-62.9-25.3000114.3R168 T199R168-D201 PolarHBondContact NH1-O 3.46Å; R168-D201 PolarHBondContact NH2-O 3.41Å; T199-D201 PolarHBondContact O-N 2.88Å
202S88.6Confident92.9Very high9 Ų938.1 Ų38.16%0.06320%0.201CC..G310 helixtrans-77.1-9.9172.5-53.60000112.5T199 M200 Y206T199-S202 PolarHBondContact N-OG 2.94Å; T199-S202 WeakPolarHBondContact O-CA 3.4Å; T199-S202 WeakPolarHBondContact O-CB 3.46Å; T199-S202 PolarHBondContact O-N 2.85Å; T199-S202 PolarHBondContact O-OG 2.77Å; M200-S202 PolarHBondContact O-N 2.92Å; S202-Y206 PolarHBondContact O-OH 3.03Å
203T89.1Confident92.9Very high48 Ų4842 Ų4229%0.29422%0.222SC..  trans-69129.6175.6-63.70000110.7R168 M200 V223 M225R168-T203 PolarHBondContact NH2-O 2.91Å; M200-T203 WeakPolarHBondContact O-CB 3.25Å; M200-T203 PolarHBondContact O-N 2.92Å; M200-T203 PolarHBondContact O-OG1 2.89Å; M200-T203 VanDerWaalsContact O-OG1 3.13Å; T203-V223 CarbonylContact C-O 3.58Å; T203-V223 WeakPolarHBondContact CA-O 3.49Å; T203-V223 WeakPolarHBondContact CG2-O 3.27Å; T203-M225 PolarHBondContact OG1-N 3.3Å
204G89.8Confident93Very high15 Ų1544.1 Ų44.116%0.15524%0.235CC..EExtended strand (participates in β ladder)trans160.3-175.3175.700000113.9Y206 V223G204-Y206 WeakPolarHBondContact O-CD2 3.46Å; G204-V223 PolarHBondContact N-O 3.43Å; G204-V223 PolarHBondContact O-N 2.9Å
205V92.2Very high93Very high41 Ų4144 Ų4425%0.24824%0.239CC..EExtended strand (participates in β ladder)trans-95.2127.3179.6-1760000110.2V169 T220 I221 E222V169-V205 HydrophobicContact CB-CB 4.42Å; V169-V205 HydrophobicContact CB-CG1 4.43Å; V169-V205 PolarHBondContact N-O 3.35Å; V205-T220 HydrophobicContact CG1-CG2 4.23Å; V205-I221 WeakPolarHBondContact CA-O 3.39Å; V205-E222 HydrophobicContact CG2-CG 4.37Å
206Y93.4Very high93.1Very high0 Ų049.5 Ų49.50%026%0.264CS..EExtended strand (participates in β ladder)trans-110.9130.1178.4-67.4-100000109L151 E167 R168 L179 P180 L195 S202 G204 T220 I221 V223L151-Y206 HydrophobicContact CD1-CD1 3.97Å; L151-Y206 HydrophobicContact CD1-CD2 4.2Å; L151-Y206 HydrophobicContact CD1-CG 3.73Å; E167-Y206 CarbonylContact O-C 3.57Å; E167-Y206 WeakPolarHBondContact O-CA 3.44Å; R168-Y206 HydrophobicContact CB-CE1 4.48Å; L179-Y206 HydrophobicContact CD2-CD1 3.87Å; L179-Y206 HydrophobicContact CD2-CE1 4.04Å; P180-Y206 HydrophobicContact CG-CE1 4.08Å; P180-Y206 WeakPolarHBondContact CG-OH 3.47Å; L195-Y206 HydrophobicContact CD1-CE1 3.91Å; L195-Y206 HydrophobicContact CD1-CE2 4.05Å; L195-Y206 HydrophobicContact CD2-CE1 3.77Å; L195-Y206 HydrophobicContact CG-CE1 4.48Å; S202-Y206 PolarHBondContact O-OH 3.03Å; G204-Y206 WeakPolarHBondContact O-CD2 3.46Å; Y206-T220 CarbonylContact O-C 3.57Å; Y206-T220 WeakPolarHBondContact O-CA 3.43Å; Y206-I221 PolarHBondContact N-O 3.36Å; Y206-I221 PolarHBondContact O-N 3.45Å; Y206-V223 HydrophobicContact CD2-CB 4.05Å; Y206-V223 HydrophobicContact CD2-CG2 3.53Å; Y206-V223 HydrophobicContact CE2-CB 3.77Å; Y206-V223 HydrophobicContact CE2-CG1 4.47Å; Y206-V223 HydrophobicContact CE2-CG2 3.64Å
207R94.8Very high93.3Very high62 Ų6245.9 Ų45.923%0.23425%0.253CS..EExtended strand (participates in β ladder)trans-109.1130.8176.8-179.6163.964.4-169.14.9109.7W166 E167 V169 N218 C219 T220W166-R207 WeakPolarHBondContact CA-O 3.36Å; E167-R207 HydrophobicContact CG-CB 4.04Å; E167-R207 PolarHBondContact N-O 3.39Å; E167-R207 PolarHBondContact O-N 2.61Å; E167-R207 IonicContact OE1-CZ 3.08Å; E167-R207 IonicContact OE1-NE 2.71Å; E167-R207 PolarHBondContact OE1-NE 2.72Å; E167-R207 IonicContact OE1-NH2 2.65Å; E167-R207 PolarHBondContact OE1-NH2 2.83Å; V169-R207 HydrophobicContact CG2-CB 3.48Å; V169-R207 VanDerWaalsContact CG2-CB 3.48Å; R207-N218 HydrophobicContact CG-CB 4.09Å; R207-C219 WeakPolarHBondContact CA-O 3.35Å; R207-T220 HydrophobicContact CB-CG2 4.1Å; R207-T220 HydrophobicContact CG-CG2 4.23Å
208C95.8Very high93.5Very high0 Ų044.7 Ų44.70%025%0.246CC..EExtended strand (participates in β ladder)trans-105.3131162.8169.40000109.3C153 K165 W166 N218 C219C153-C208 HydrophobicContact CB-CB 3.41Å; C153-C208 VanDerWaalsContact CB-CB 3.41Å; C153-C208 WeakPolarHBondContact CB-SG 3.25Å; C153-C208 WeakPolarHBondContact SG-CB 3.47Å; C153-C208 CovalentContact SG-SG 2.01Å; C153-C208 PolarHBondContact SG-SG 3.04Å; K165-C208 CarbonylContact O-C 3.6Å; K165-C208 WeakPolarHBondContact O-CA 3.49Å; W166-C208 HydrophobicContact CD2-CB 3.81Å; W166-C208 HydrophobicContact CE3-CB 3.76Å; W166-C208 HydrophobicContact CH2-CB 3.72Å; W166-C208 HydrophobicContact CZ2-CB 3.77Å; W166-C208 HydrophobicContact CZ3-CB 3.71Å; C208-N218 CarbonylContact O-C 3.57Å; C208-N218 WeakPolarHBondContact O-CA 3.02Å; C208-N218 VanDerWaalsContact O-CB 3.24Å; C208-N218 WeakPolarHBondContact O-CB 3.05Å; C208-C219 PolarHBondContact N-O 3.36Å; C208-C219 PolarHBondContact O-N 2.91Å
209T96.3Very high93.8Very high16 Ų1645.2 Ų45.210%0.09825%0.25CS..EExtended strand (participates in β ladder)trans-112.2124.2173-56.10000109.2Y164 K165 E216 E217Y164-T209 WeakPolarHBondContact CA-O 3.44Å; K165-T209 PolarHBondContact N-O 3.23Å; K165-T209 PolarHBondContact O-N 2.92Å; T209-E216 HydrophobicContact CG2-CB 3.95Å; T209-E217 CarbonylContact C-O 3.56Å; T209-E217 WeakPolarHBondContact CA-O 3.26Å
210A98.1Very high94Very high0 Ų047 Ų470%026%0.261CS..EExtended strand (participates in β ladder)trans-97.8128.7169.800000108.7P132 P135 S155 I162 S163 Y164 E216 E217P132-A210 HydrophobicContact CB-CB 4.08Å; P135-A210 HydrophobicContact CB-CB 4.43Å; P135-A210 HydrophobicContact CG-CB 4.25Å; S155-A210 WeakPolarHBondContact OG-CB 3.43Å; I162-A210 HydrophobicContact CG2-CB 4.05Å; S163-A210 CarbonylContact O-C 3.41Å; S163-A210 WeakPolarHBondContact O-CA 3.46Å; Y164-A210 HydrophobicContact CD1-CB 3.88Å; Y164-A210 HydrophobicContact CE1-CB 3.62Å; A210-E216 CarbonylContact O-C 3.6Å; A210-E216 VanDerWaalsContact O-CA 3.24Å; A210-E216 WeakPolarHBondContact O-CA 3.34Å; A210-E217 PolarHBondContact N-O 2.88Å; A210-E217 PolarHBondContact O-N 3.48Å
211S97.6Very high94.4Very high36 Ų3643.4 Ų43.425%0.25224%0.244SC..EExtended strand (participates in β ladder)trans-142.9139.6-173.81700000112.2S163 G215S163-S211 PolarHBondContact N-O 3.46Å; S163-S211 PolarHBondContact O-N 3.46Å; S163-S211 PolarHBondContact OG-O 3.32Å; S211-G215 WeakPolarHBondContact CA-O 3.46Å
212N97.1Very high94.8Very high17 Ų1743.8 Ų43.89%0.09124%0.241CC..  trans-134-172.6168.573.13.5000110.6E130 P132 S159 V214 G215E130-N212 PolarHBondContact O-ND2 3.25Å; P132-N212 WeakPolarHBondContact CD-OD1 3.34Å; P132-N212 HydrophobicContact CG-CB 4.2Å; S159-N212 PolarHBondContact N-ND2 3.48Å; S159-N212 WeakPolarHBondContact O-CB 3.36Å; S159-N212 PolarHBondContact O-ND2 2.94Å; N212-V214 PolarHBondContact O-N 3.25Å; N212-V214 VanDerWaalsContact O-N 3.1Å; N212-V214 WeakPolarHBondContact OD1-CA 3.17Å; N212-V214 WeakPolarHBondContact OD1-CB 3.27Å; N212-V214 PolarHBondContact OD1-N 3.31Å; N212-G215 PolarHBondContact N-O 3.29Å; N212-G215 PolarHBondContact O-N 2.84Å; N212-G215 PolarHBondContact OD1-N 2.91Å; N212-G215 VanDerWaalsContact OD1-N 3.15Å; N212-G215 PolarHBondContact OD1-O 2.98Å
213D95.3Very high95Very high129 Ų12943.4 Ų43.469%0.6924%0.238SC*.SBendtrans-59.7-19.4-179.4-71.2-7.2000114.5
214V96.5Very high95.1Very high44 Ų4444.3 Ų44.327%0.26724%0.244SC..SBendtrans-91.6-36.6-178.3-177.30000111.6V27 L129 K131 N212V27-V214 HydrophobicContact CB-CG1 4.41Å; V27-V214 HydrophobicContact CG1-CG1 3.63Å; V27-V214 HydrophobicContact CG2-CG1 3.83Å; V27-V214 HydrophobicContact CG2-CG2 4.34Å; L129-V214 HydrophobicContact CB-CG2 3.35Å; L129-V214 HydrophobicContact CD1-CG2 4.14Å; L129-V214 HydrophobicContact CG-CG2 4.39Å; K131-V214 HydrophobicContact CB-CB 4.1Å; K131-V214 HydrophobicContact CB-CG1 3.79Å; N212-V214 PolarHBondContact O-N 3.25Å; N212-V214 VanDerWaalsContact O-N 3.1Å; N212-V214 WeakPolarHBondContact OD1-CA 3.17Å; N212-V214 WeakPolarHBondContact OD1-CB 3.27Å; N212-V214 PolarHBondContact OD1-N 3.31Å
215G96.3Very high94.9Very high23 Ų2344.8 Ų44.824%0.23724%0.243CC..  trans171-165.5-179.200000114.2P132 S211 N212P132-G215 WeakPolarHBondContact CD-O 3.13Å; S211-G215 WeakPolarHBondContact CA-O 3.46Å; N212-G215 PolarHBondContact N-O 3.29Å; N212-G215 PolarHBondContact O-N 2.84Å; N212-G215 PolarHBondContact OD1-N 2.91Å; N212-G215 VanDerWaalsContact OD1-N 3.15Å; N212-G215 PolarHBondContact OD1-O 2.98Å
216E97.1Very high94.1Very high118 Ų11848.7 Ų48.755%0.55126%0.258SS*.EExtended strand (participates in β ladder)trans-133.2153.4-177.563.2176.5-161.400112.8T209 A210T209-E216 HydrophobicContact CG2-CB 3.95Å; A210-E216 CarbonylContact O-C 3.6Å; A210-E216 VanDerWaalsContact O-CA 3.24Å; A210-E216 WeakPolarHBondContact O-CA 3.34Å
217E97.8Very high92.9Very high52 Ų5255.6 Ų55.624%0.24329%0.29CS..EExtended strand (participates in β ladder)trans-140.5156.5170.8-86.9-63.7171.800110.2K131 P132 T209 A210K131-E217 HydrophobicContact CD-CG 4.49Å; K131-E217 VanDerWaalsContact CE-CG 3.49Å; K131-E217 WeakPolarHBondContact CE-OE1 3.46Å; K131-E217 IonicContact NZ-OE1 3.63Å; K131-E217 PolarHBondContact NZ-OE1 3.46Å; P132-E217 WeakPolarHBondContact O-CG 3.2Å; T209-E217 CarbonylContact C-O 3.56Å; T209-E217 WeakPolarHBondContact CA-O 3.26Å; A210-E217 PolarHBondContact N-O 2.88Å; A210-E217 PolarHBondContact O-N 3.48Å
218N96.5Very high91.4Very high57 Ų5757.7 Ų57.731%0.30531%0.309SS..EExtended strand (participates in β ladder)trans-141.4160.2-17661.942.1000114.5R207 C208R207-N218 HydrophobicContact CG-CB 4.09Å; C208-N218 CarbonylContact O-C 3.57Å; C208-N218 WeakPolarHBondContact O-CA 3.02Å; C208-N218 VanDerWaalsContact O-CB 3.24Å; C208-N218 WeakPolarHBondContact O-CB 3.05Å
219C96.4Very high89.7Confident12 Ų1267.5 Ų67.58%0.08135%0.346CS..EExtended strand (participates in β ladder)trans-137.9153.3170.764.80000110.3P135 C137 R207 C208P135-C219 HydrophobicContact CG-CB 3.99Å; P135-C219 WeakPolarHBondContact O-CB 3.47Å; P135-C219 PolarHBondContact O-SG 2.02Å; P135-C219 VanDerWaalsContact O-SG 3.41Å; C137-C219 HydrophobicContact CB-CB 3.76Å; C137-C219 WeakPolarHBondContact CB-SG 3.15Å; C137-C219 VanDerWaalsContact SG-C 3.52Å; C137-C219 WeakPolarHBondContact SG-CB 3.27Å; C137-C219 CovalentContact SG-SG 2.02Å; C137-C219 PolarHBondContact SG-SG 3.48Å; R207-C219 WeakPolarHBondContact CA-O 3.35Å; C208-C219 PolarHBondContact N-O 3.36Å; C208-C219 PolarHBondContact O-N 2.91Å
220T95.1Very high88.3Confident87 Ų8771.9 Ų71.953%0.53437%0.37SS..EExtended strand (participates in β ladder)trans-122.8141.4-178.653.30000111V205 Y206 R207V205-T220 HydrophobicContact CG1-CG2 4.23Å; Y206-T220 CarbonylContact O-C 3.57Å; Y206-T220 WeakPolarHBondContact O-CA 3.43Å; R207-T220 HydrophobicContact CB-CG2 4.1Å; R207-T220 HydrophobicContact CG-CG2 4.23Å
221I94.6Very high86.8Confident17 Ų1777.4 Ų77.49%0.08740%0.403CS..EExtended strand (participates in β ladder)trans-123.2131.2173.6-57.6175.5000108.2C137 M139 L151 W166 V205 Y206 V223C137-I221 HydrophobicContact CB-CD1 3.59Å; C137-I221 HydrophobicContact CB-CG1 3.42Å; C137-I221 VanDerWaalsContact CB-CG1 3.42Å; M139-I221 HydrophobicContact CB-CG2 4.3Å; M139-I221 HydrophobicContact SD-CG2 4.35Å; L151-I221 HydrophobicContact CB-CD1 4.28Å; L151-I221 HydrophobicContact CD2-CD1 4.28Å; L151-I221 HydrophobicContact CD2-CG2 4.31Å; W166-I221 HydrophobicContact CH2-CD1 4.08Å; W166-I221 HydrophobicContact CZ3-CD1 4.45Å; V205-I221 WeakPolarHBondContact CA-O 3.39Å; Y206-I221 PolarHBondContact N-O 3.36Å; Y206-I221 PolarHBondContact O-N 3.45Å; I221-V223 HydrophobicContact CG2-CG2 4.47Å
222E93.6Very high85.5Confident137 Ų13778 Ų7864%0.6441%0.414SS*.EExtended strand (participates in β ladder)trans-91.7124.3170.7-166.5179.9177.200109.7V205 T224V205-E222 HydrophobicContact CG2-CG 4.37Å; E222-T224 HydrophobicContact CG-CG2 3.97Å
223V92.1Very high84.5Confident0 Ų081 Ų810%043%0.433CS..EExtended strand (participates in β ladder)trans-106.2112.8176.61760000107.2M139 L143 L151 L195 T203 G204 Y206 I221M139-V223 HydrophobicContact SD-CG2 4.2Å; L143-V223 HydrophobicContact CD2-CG1 3.68Å; L151-V223 HydrophobicContact CD1-CG2 4.29Å; L151-V223 HydrophobicContact CD2-CG2 4.15Å; L195-V223 HydrophobicContact CD1-CG1 4.45Å; L195-V223 HydrophobicContact CD1-CG2 4.28Å; T203-V223 CarbonylContact C-O 3.58Å; T203-V223 WeakPolarHBondContact CA-O 3.49Å; T203-V223 WeakPolarHBondContact CG2-O 3.27Å; G204-V223 PolarHBondContact N-O 3.43Å; G204-V223 PolarHBondContact O-N 2.9Å; Y206-V223 HydrophobicContact CD2-CB 4.05Å; Y206-V223 HydrophobicContact CD2-CG2 3.53Å; Y206-V223 HydrophobicContact CE2-CB 3.77Å; Y206-V223 HydrophobicContact CE2-CG1 4.47Å; Y206-V223 HydrophobicContact CE2-CG2 3.64Å; I221-V223 HydrophobicContact CG2-CG2 4.47Å
224T90.1Very high83.6Confident67 Ų6778.3 Ų78.341%0.41142%0.421SS..  trans-121.2118.2177.258.80000110.3L143 E222 Q226L143-T224 WeakPolarHBondContact CD1-O 3.3Å; E222-T224 HydrophobicContact CG-CG2 3.97Å; T224-Q226 PolarHBondContact O-N 3.03Å
225M85.8Confident82.9Confident26 Ų2678.9 Ų78.913%0.12843%0.431CS..  trans-66.1136.3177.6-83.9-174.559.700112.5E145 L198 M200 T203E145-M225 HydrophobicContact CB-CE 3.54Å; E145-M225 HydrophobicContact CG-CE 3.98Å; L198-M225 HydrophobicContact CB-SD 4.31Å; M200-M225 PolarHBondContact N-SD 2.94Å; M200-M225 VanDerWaalsContact N-SD 3.35Å; M200-M225 HydrophobicContact SD-CB 4.08Å; M200-M225 HydrophobicContact SD-CE 4.2Å; M200-M225 HydrophobicContact SD-SD 4.25Å; T203-M225 PolarHBondContact OG1-N 3.3Å
226Q76.9Confident82.4Confident122 Ų12279.9 Ų79.957%0.5744%0.442SS*.  trans-85.3115.7172.3-68.5-174.8-17.300109.1L143 L144 T224 V228L143-Q226 PolarHBondContact O-N 3.34Å; L144-Q226 HydrophobicContact CD2-CB 4.39Å; T224-Q226 PolarHBondContact O-N 3.03Å; Q226-V228 PolarHBondContact O-N 3.06Å
227H67.8Low81.9Confident145 Ų14579 Ų7967%0.67144%0.44SS*.  trans-7098.6161.9-97.4-49.9000108.4R229H227-R229 VanDerWaalsContact C-N 3.27Å; H227-R229 PolarHBondContact O-N 3.21Å
228V63.5Low81.6Confident106 Ų10680.6 Ų80.664%0.64245%0.452SS*.  trans-64.497.7155.8-91.90000106.6L144 Q226 D230L144-V228 HydrophobicContact CD2-CB 4.35Å; L144-V228 HydrophobicContact CD2-CG1 3.81Å; L144-V228 HydrophobicContact CD2-CG2 3.67Å; Q226-V228 PolarHBondContact O-N 3.06Å; V228-D230 PolarHBondContact O-N 2.93Å
229R59.6Low81.4Confident206 Ų20680.7 Ų80.778%0.77746%0.461SS*.  trans-59.5110.4159.5-71.6-175.8179.2136.51.1104.8H227 V231 V234H227-R229 VanDerWaalsContact C-N 3.27Å; H227-R229 PolarHBondContact O-N 3.21Å; R229-V231 PolarHBondContact O-N 3.06Å; R229-V231 VanDerWaalsContact O-N 3.15Å; R229-V234 HydrophobicContact CB-CG2 4.11Å
230D67.7Low81.2Confident109 Ų10982.2 Ų82.258%0.58348%0.479SS*.  trans-48.6126.9-179-172.215.2000108.4V228 G232 T233 V234V228-D230 PolarHBondContact O-N 2.93Å; D230-G232 PolarHBondContact O-N 3.48Å; D230-G232 VanDerWaalsContact O-N 3.07Å; D230-T233 WeakPolarHBondContact O-CA 3.33Å; D230-T233 WeakPolarHBondContact O-CB 3.27Å; D230-T233 PolarHBondContact O-N 3.48Å; D230-V234 PolarHBondContact O-N 3.24Å
231V64.8Low81.2Confident116 Ų11683.1 Ų83.170%0.70348%0.479SS*.Hα-helixtrans-57.3-29.4-176176.70000109.4R229 T233 V234 A235R229-V231 PolarHBondContact O-N 3.06Å; R229-V231 VanDerWaalsContact O-N 3.15Å; V231-T233 VanDerWaalsContact C-N 3.34Å; V231-T233 PolarHBondContact O-N 3.13Å; V231-V234 PolarHBondContact O-N 2.83Å; V231-A235 VanDerWaalsContact O-CB 3.23Å; V231-A235 WeakPolarHBondContact O-CB 3.4Å; V231-A235 PolarHBondContact O-N 3.17Å
232G70.9Confident81.2Confident47 Ų4785.5 Ų85.549%0.48550%0.498SS..Hα-helixtrans-60.6-35.6170.600000114.4D230 G236D230-G232 PolarHBondContact O-N 3.48Å; D230-G232 VanDerWaalsContact O-N 3.07Å; G232-G236 WeakPolarHBondContact O-CA 3.29Å; G232-G236 PolarHBondContact O-N 3.48Å
233T76.6Confident81.3Confident81 Ų8184.2 Ų84.250%0.49750%0.495SS..Hα-helixtrans-70.9-43176.3-61.20000111.2D230 V231 G236 I237D230-T233 WeakPolarHBondContact O-CA 3.33Å; D230-T233 WeakPolarHBondContact O-CB 3.27Å; D230-T233 PolarHBondContact O-N 3.48Å; V231-T233 VanDerWaalsContact C-N 3.34Å; V231-T233 PolarHBondContact O-N 3.13Å; T233-G236 PolarHBondContact O-N 3.42Å; T233-I237 HydrophobicContact CG2-CD1 4.12Å; T233-I237 VanDerWaalsContact O-CG1 3.28Å; T233-I237 WeakPolarHBondContact O-CG1 3.31Å; T233-I237 PolarHBondContact O-N 3.27Å
234V77Confident81.4Confident72 Ų7285.9 Ų85.944%0.43651%0.511SS..Hα-helixtrans-67.8-45.8178-178.10000110.5R229 D230 V231 G236 I237 V238R229-V234 HydrophobicContact CB-CG2 4.11Å; D230-V234 PolarHBondContact O-N 3.24Å; V231-V234 PolarHBondContact O-N 2.83Å; V234-G236 VanDerWaalsContact C-N 3.34Å; V234-G236 PolarHBondContact O-N 2.56Å; V234-I237 PolarHBondContact O-N 3.39Å; V234-V238 VanDerWaalsContact O-CG2 3.31Å; V234-V238 WeakPolarHBondContact O-CG2 3.35Å; V234-V238 PolarHBondContact O-N 3.17Å; V234-V238 VanDerWaalsContact O-N 3.07Å
235A80.1Confident81.7Confident56 Ų5686.5 Ų86.546%0.46352%0.515SS..Hα-helixtrans-62.3-39.9175.700000112.1V231 V238 A239V231-A235 VanDerWaalsContact O-CB 3.23Å; V231-A235 WeakPolarHBondContact O-CB 3.4Å; V231-A235 PolarHBondContact O-N 3.17Å; A235-V238 PolarHBondContact O-N 2.76Å; A235-A239 VanDerWaalsContact O-CB 3.24Å; A235-A239 WeakPolarHBondContact O-CB 3.22Å; A235-A239 PolarHBondContact O-N 2.95Å
236G85.7Confident82.2Confident45 Ų4590 Ų9046%0.46453%0.534SS..Hα-helixtrans-63.4-42.8176.400000113.1G232 T233 V234 G240G232-G236 WeakPolarHBondContact O-CA 3.29Å; G232-G236 PolarHBondContact O-N 3.48Å; T233-G236 PolarHBondContact O-N 3.42Å; V234-G236 VanDerWaalsContact C-N 3.34Å; V234-G236 PolarHBondContact O-N 2.56Å; G236-G240 PolarHBondContact O-N 2.84Å
237I88.5Confident83.1Confident100 Ų10088.2 Ų88.251%0.51353%0.527SS..Hα-helixtrans-63.5-46.4175.8-69.4167000110.4T233 V234 G240 I241T233-I237 HydrophobicContact CG2-CD1 4.12Å; T233-I237 VanDerWaalsContact O-CG1 3.28Å; T233-I237 WeakPolarHBondContact O-CG1 3.31Å; T233-I237 PolarHBondContact O-N 3.27Å; V234-I237 PolarHBondContact O-N 3.39Å; I237-G240 PolarHBondContact O-N 3.13Å; I237-I241 HydrophobicContact CG2-CD1 3.7Å; I237-I241 HydrophobicContact CG2-CG1 4.45Å; I237-I241 VanDerWaalsContact O-CG1 3.26Å; I237-I241 WeakPolarHBondContact O-CG1 3.28Å; I237-I241 PolarHBondContact O-N 3.49Å
238V90.6Very high84.5Confident84 Ų8485.1 Ų85.151%0.50952%0.519SS..Hα-helixtrans-65.5-44.4-178.9174.70000111.5V234 A235 S242V234-V238 VanDerWaalsContact O-CG2 3.31Å; V234-V238 WeakPolarHBondContact O-CG2 3.35Å; V234-V238 PolarHBondContact O-N 3.17Å; V234-V238 VanDerWaalsContact O-N 3.07Å; A235-V238 PolarHBondContact O-N 2.76Å; V238-S242 WeakPolarHBondContact O-CB 3.46Å; V238-S242 PolarHBondContact O-N 2.98Å; V238-S242 PolarHBondContact O-OG 2.78Å
239A91.8Very high86Confident59 Ų5984.9 Ų84.949%0.48851%0.512SS..Hα-helixtrans-65-41.817700000111.7A235 S242 L243A235-A239 VanDerWaalsContact O-CB 3.24Å; A235-A239 WeakPolarHBondContact O-CB 3.22Å; A235-A239 PolarHBondContact O-N 2.95Å; A239-S242 PolarHBondContact O-N 2.91Å; A239-L243 WeakPolarHBondContact O-CB 3.24Å; A239-L243 PolarHBondContact O-N 2.81Å
240G92.3Very high87.7Confident44 Ų4478.8 Ų78.845%0.45449%0.494SS..Hα-helixtrans-63.4-44.6177.400000112.9G236 I237 G244G236-G240 PolarHBondContact O-N 2.84Å; I237-G240 PolarHBondContact O-N 3.13Å; G240-G244 PolarHBondContact O-N 2.74Å
241I95.2Very high89Confident106 Ų10678 Ų7854%0.54449%0.49SS..Hα-helixtrans-63.6-45.6175.4-67.5168000110.2I237 L243 G244 V245I237-I241 HydrophobicContact CG2-CD1 3.7Å; I237-I241 HydrophobicContact CG2-CG1 4.45Å; I237-I241 VanDerWaalsContact O-CG1 3.26Å; I237-I241 WeakPolarHBondContact O-CG1 3.28Å; I237-I241 PolarHBondContact O-N 3.49Å; I241-L243 PolarHBondContact O-N 2.04Å; I241-G244 PolarHBondContact O-N 3.17Å; I241-V245 HydrophobicContact CG2-CG2 4.36Å; I241-V245 VanDerWaalsContact O-CG2 3.29Å; I241-V245 WeakPolarHBondContact O-CG2 3.26Å; I241-V245 PolarHBondContact O-N 2.7Å
242S94.3Very high90.4Very high68 Ų6876.7 Ų76.748%0.47648%0.478SS..Hα-helixtrans-61.3-44.7-179.7-57.30000111.7V238 A239 V245 L246V238-S242 WeakPolarHBondContact O-CB 3.46Å; V238-S242 PolarHBondContact O-N 2.98Å; V238-S242 PolarHBondContact O-OG 2.78Å; A239-S242 PolarHBondContact O-N 2.91Å; S242-V245 PolarHBondContact O-N 3.09Å; S242-L246 PolarHBondContact O-N 2.91Å; S242-L246 VanDerWaalsContact O-N 3.09Å
243L95.6Very high91.5Very high110 Ų11081 Ų8158%0.57648%0.479SS*.Hα-helixtrans-66.7-41.5177.1-174.864.1000111.9A239 I241 L246 I247A239-L243 WeakPolarHBondContact O-CB 3.24Å; A239-L243 PolarHBondContact O-N 2.81Å; I241-L243 PolarHBondContact O-N 2.04Å; L243-L246 WeakPolarHBondContact O-CB 3.48Å; L243-L246 PolarHBondContact O-N 2.8Å; L243-I247 HydrophobicContact CG-CD1 4.13Å; L243-I247 WeakPolarHBondContact O-CG1 3.25Å; L243-I247 PolarHBondContact O-N 3.44Å
244G95.4Very high92.3Very high34 Ų3481.6 Ų81.635%0.35148%0.479SS..Hα-helixtrans-60.2-45176.200000112.5G240 I241 L246 I247 V248G240-G244 PolarHBondContact O-N 2.74Å; I241-G244 PolarHBondContact O-N 3.17Å; G244-L246 VanDerWaalsContact C-N 3.34Å; G244-L246 PolarHBondContact O-N 3.28Å; G244-I247 PolarHBondContact O-N 2.93Å; G244-V248 WeakPolarHBondContact O-CG2 3.2Å; G244-V248 PolarHBondContact O-N 3.14Å; G244-V248 VanDerWaalsContact O-N 3.08Å
245V96.4Very high93Very high81 Ų8182.6 Ų82.649%0.49149%0.485SS..Hα-helixtrans-61.8-42.8175.9171.70000111I241 S242 I247 V248 I249I241-V245 HydrophobicContact CG2-CG2 4.36Å; I241-V245 VanDerWaalsContact O-CG2 3.29Å; I241-V245 WeakPolarHBondContact O-CG2 3.26Å; I241-V245 PolarHBondContact O-N 2.7Å; S242-V245 PolarHBondContact O-N 3.09Å; V245-I247 PolarHBondContact O-N 3.03Å; V245-V248 PolarHBondContact O-N 3.17Å; V245-I249 HydrophobicContact CG1-CD1 3.86Å; V245-I249 HydrophobicContact CG1-CG1 4.5Å; V245-I249 WeakPolarHBondContact O-CG1 3.3Å; V245-I249 PolarHBondContact O-N 2.86Å
246L95.7Very high93.4Very high99 Ų9986.2 Ų86.252%0.51849%0.49SS..Hα-helixtrans-60.8-44178-125.2160.7000112.1S242 L243 G244 V248 I249 I250S242-L246 PolarHBondContact O-N 2.91Å; S242-L246 VanDerWaalsContact O-N 3.09Å; L243-L246 WeakPolarHBondContact O-CB 3.48Å; L243-L246 PolarHBondContact O-N 2.8Å; G244-L246 VanDerWaalsContact C-N 3.34Å; G244-L246 PolarHBondContact O-N 3.28Å; L246-V248 VanDerWaalsContact C-N 3.34Å; L246-V248 PolarHBondContact O-N 3.5Å; L246-I249 PolarHBondContact O-N 2.91Å; L246-I250 HydrophobicContact CD2-CD1 4.02Å; L246-I250 HydrophobicContact CD2-CG1 4.48Å; L246-I250 VanDerWaalsContact O-CG1 3.32Å; L246-I250 WeakPolarHBondContact O-CG1 3.39Å; L246-I250 PolarHBondContact O-N 2.98Å
247I96.2Very high93.3Very high85 Ų8589.7 Ų89.744%0.43649%0.49SS..Hα-helixtrans-63-41.9176.9-68.1166.6000110.9L243 G244 V245 I249 I250 I251L243-I247 HydrophobicContact CG-CD1 4.13Å; L243-I247 WeakPolarHBondContact O-CG1 3.25Å; L243-I247 PolarHBondContact O-N 3.44Å; G244-I247 PolarHBondContact O-N 2.93Å; V245-I247 PolarHBondContact O-N 3.03Å; I247-I249 PolarHBondContact O-N 2.74Å; I247-I250 PolarHBondContact O-N 3.23Å; I247-I251 HydrophobicContact CG2-CD1 3.83Å; I247-I251 HydrophobicContact CG2-CG1 4.41Å; I247-I251 VanDerWaalsContact O-CG1 3.31Å; I247-I251 WeakPolarHBondContact O-CG1 3.32Å; I247-I251 PolarHBondContact O-N 3Å
248V95.9Very high93.2Very high80 Ų8091.8 Ų91.849%0.48550%0.495SS..Hα-helixtrans-63.1-42.8177.6172.10000111.2G244 V245 L246 I250 I251 I252G244-V248 WeakPolarHBondContact O-CG2 3.2Å; G244-V248 PolarHBondContact O-N 3.14Å; G244-V248 VanDerWaalsContact O-N 3.08Å; V245-V248 PolarHBondContact O-N 3.17Å; L246-V248 VanDerWaalsContact C-N 3.34Å; L246-V248 PolarHBondContact O-N 3.5Å; V248-I250 VanDerWaalsContact C-N 3.33Å; V248-I250 PolarHBondContact O-N 3.11Å; V248-I251 PolarHBondContact O-N 2.89Å; V248-I252 HydrophobicContact CG1-CD1 3.82Å; V248-I252 HydrophobicContact CG1-CG1 4.45Å; V248-I252 VanDerWaalsContact O-CG1 3.29Å; V248-I252 WeakPolarHBondContact O-CG1 3.19Å; V248-I252 PolarHBondContact O-N 2.78Å
249I95.6Very high92.9Very high100 Ų10095 Ų9551%0.51350%0.502SS..Hα-helixtrans-60.6-43.6175.9-66.9164.9000110.6V245 L246 I247 I252 W253V245-I249 HydrophobicContact CG1-CD1 3.86Å; V245-I249 HydrophobicContact CG1-CG1 4.5Å; V245-I249 WeakPolarHBondContact O-CG1 3.3Å; V245-I249 PolarHBondContact O-N 2.86Å; L246-I249 PolarHBondContact O-N 2.91Å; I247-I249 PolarHBondContact O-N 2.74Å; I249-I252 PolarHBondContact O-N 3.26Å; I249-W253 WeakPolarHBondContact O-CB 3.42Å; I249-W253 PolarHBondContact O-N 2.81Å
250I95.3Very high92.3Very high78 Ų7896.3 Ų96.340%0.450%0.498SS..Hα-helixtrans-63.1-43.8177.3-68.3165.6000111.1L246 I247 V248 I252 W253 L254L246-I250 HydrophobicContact CD2-CD1 4.02Å; L246-I250 HydrophobicContact CD2-CG1 4.48Å; L246-I250 VanDerWaalsContact O-CG1 3.32Å; L246-I250 WeakPolarHBondContact O-CG1 3.39Å; L246-I250 PolarHBondContact O-N 2.98Å; I247-I250 PolarHBondContact O-N 3.23Å; V248-I250 VanDerWaalsContact C-N 3.33Å; V248-I250 PolarHBondContact O-N 3.11Å; I250-I252 PolarHBondContact O-N 2.91Å; I250-W253 PolarHBondContact O-N 2.83Å; I250-L254 HydrophobicContact CG2-CD1 3.98Å; I250-L254 HydrophobicContact CG2-CG 4.28Å; I250-L254 WeakPolarHBondContact O-CB 3.37Å; I250-L254 VanDerWaalsContact O-CG 3.28Å; I250-L254 WeakPolarHBondContact O-CG 3.22Å; I250-L254 PolarHBondContact O-N 3.29Å
251I95.5Very high91.4Very high94 Ų94100.5 Ų100.548%0.48250%0.504SS..Hα-helixtrans-61.9-45.7177.7-68.9167.1000110.6I247 V248 W253 L254 V255I247-I251 HydrophobicContact CG2-CD1 3.83Å; I247-I251 HydrophobicContact CG2-CG1 4.41Å; I247-I251 VanDerWaalsContact O-CG1 3.31Å; I247-I251 WeakPolarHBondContact O-CG1 3.32Å; I247-I251 PolarHBondContact O-N 3Å; V248-I251 PolarHBondContact O-N 2.89Å; I251-W253 VanDerWaalsContact C-N 3.33Å; I251-W253 PolarHBondContact O-N 2.85Å; I251-L254 PolarHBondContact O-N 3.23Å; I251-V255 HydrophobicContact CG2-CG2 4.49Å; I251-V255 VanDerWaalsContact O-CG2 3.29Å; I251-V255 WeakPolarHBondContact O-CG2 3.38Å; I251-V255 PolarHBondContact O-N 2.62Å
252I94.9Very high90.1Very high88 Ų88101.7 Ų101.745%0.45151%0.505SS..Hα-helixtrans-59.4-47.7177-69.6168.2000109.9V248 I249 I250 L254 V255 F256V248-I252 HydrophobicContact CG1-CD1 3.82Å; V248-I252 HydrophobicContact CG1-CG1 4.45Å; V248-I252 VanDerWaalsContact O-CG1 3.29Å; V248-I252 WeakPolarHBondContact O-CG1 3.19Å; V248-I252 PolarHBondContact O-N 2.78Å; I249-I252 PolarHBondContact O-N 3.26Å; I250-I252 PolarHBondContact O-N 2.91Å; I252-L254 PolarHBondContact O-N 2.8Å; I252-V255 PolarHBondContact O-N 3.36Å; I252-F256 HydrophobicContact CG2-CD2 3.58Å; I252-F256 HydrophobicContact CG2-CE2 3.54Å; I252-F256 VanDerWaalsContact O-CD2 3.25Å; I252-F256 WeakPolarHBondContact O-CD2 3.45Å; I252-F256 PolarHBondContact O-N 2.82Å
253W92.6Very high88.6Confident138 Ų138105.2 Ų105.252%0.52351%0.512SS..Hα-helixtrans-59.7-46177.9-17756.9000112.1I249 I250 I251 V255 F256 W257I249-W253 WeakPolarHBondContact O-CB 3.42Å; I249-W253 PolarHBondContact O-N 2.81Å; I250-W253 PolarHBondContact O-N 2.83Å; I251-W253 VanDerWaalsContact C-N 3.33Å; I251-W253 PolarHBondContact O-N 2.85Å; W253-V255 VanDerWaalsContact C-N 3.32Å; W253-V255 PolarHBondContact O-N 2.89Å; W253-F256 PolarHBondContact O-N 2.77Å; W253-W257 AromaticContact CH2-CE3 3.83Å; W253-W257 HydrophobicContact CH2-CE3 3.83Å; W253-W257 AromaticContact CH2-CH2 3.76Å; W253-W257 HydrophobicContact CH2-CH2 3.76Å; W253-W257 HydrophobicContact CH2-CZ2 4.47Å; W253-W257 AromaticContact CH2-CZ3 3.39Å; W253-W257 HydrophobicContact CH2-CZ3 3.39Å; W253-W257 HydrophobicContact CZ2-CD2 4.11Å; W253-W257 AromaticContact CZ2-CE3 3.83Å; W253-W257 HydrophobicContact CZ2-CE3 3.83Å; W253-W257 AromaticContact CZ2-CH2 3.89Å; W253-W257 HydrophobicContact CZ2-CH2 3.89Å; W253-W257 HydrophobicContact CZ2-CZ2 4.15Å; W253-W257 AromaticContact CZ2-CZ3 3.72Å; W253-W257 HydrophobicContact CZ2-CZ3 3.72Å; W253-W257 HydrophobicContact CZ3-CE3 4.24Å; W253-W257 AromaticContact CZ3-CZ3 3.99Å; W253-W257 HydrophobicContact CZ3-CZ3 3.99Å; W253-W257 WeakPolarHBondContact O-CB 3.06Å; W253-W257 PolarHBondContact O-N 2.87Å
254L93Very high86.8Confident93 Ų93106.3 Ų106.349%0.48751%0.509SS..Hα-helixtrans-61.2-38.1175.9-71.6174.7000112.6I250 I251 I252 K258I250-L254 HydrophobicContact CG2-CD1 3.98Å; I250-L254 HydrophobicContact CG2-CG 4.28Å; I250-L254 WeakPolarHBondContact O-CB 3.37Å; I250-L254 VanDerWaalsContact O-CG 3.28Å; I250-L254 WeakPolarHBondContact O-CG 3.22Å; I250-L254 PolarHBondContact O-N 3.29Å; I251-L254 PolarHBondContact O-N 3.23Å; I252-L254 PolarHBondContact O-N 2.8Å; L254-K258 VanDerWaalsContact O-CB 3.23Å; L254-K258 WeakPolarHBondContact O-CB 3.45Å; L254-K258 PolarHBondContact O-N 3.49Å
255V92.5Very high84.9Confident92 Ų92111.9 Ų111.956%0.55853%0.526SS*.Hα-helixtrans-66.6-44.5175.8170.90000111I251 I252 W253 K258 K259I251-V255 HydrophobicContact CG2-CG2 4.49Å; I251-V255 VanDerWaalsContact O-CG2 3.29Å; I251-V255 WeakPolarHBondContact O-CG2 3.38Å; I251-V255 PolarHBondContact O-N 2.62Å; I252-V255 PolarHBondContact O-N 3.36Å; W253-V255 VanDerWaalsContact C-N 3.32Å; W253-V255 PolarHBondContact O-N 2.89Å; V255-K258 PolarHBondContact O-N 2.69Å; V255-K259 WeakPolarHBondContact O-CB 3.1Å; V255-K259 PolarHBondContact O-N 3.41Å
256F88.6Confident82.9Confident132 Ų132115.8 Ų115.858%0.57954%0.539SS*.Hα-helixtrans-63.1-45.4175.5-86.4-72.5000111.8I252 W253 K258 K259 E260I252-F256 HydrophobicContact CG2-CD2 3.58Å; I252-F256 HydrophobicContact CG2-CE2 3.54Å; I252-F256 VanDerWaalsContact O-CD2 3.25Å; I252-F256 WeakPolarHBondContact O-CD2 3.45Å; I252-F256 PolarHBondContact O-N 2.82Å; W253-F256 PolarHBondContact O-N 2.77Å; F256-K258 VanDerWaalsContact C-N 3.32Å; F256-K258 PolarHBondContact O-N 3.33Å; F256-K259 WeakPolarHBondContact O-CB 3.44Å; F256-K259 PolarHBondContact O-N 2.98Å; F256-K259 VanDerWaalsContact O-N 3.1Å; F256-E260 PolarHBondContact O-N 2.8Å
257W84.1Confident80.9Confident119 Ų119118.4 Ų118.445%0.45155%0.548SS..Hα-helixtrans-66.1-37.1-178.9-143.520.1000111.8W253 E260 K261W253-W257 AromaticContact CH2-CE3 3.83Å; W253-W257 HydrophobicContact CH2-CE3 3.83Å; W253-W257 AromaticContact CH2-CH2 3.76Å; W253-W257 HydrophobicContact CH2-CH2 3.76Å; W253-W257 HydrophobicContact CH2-CZ2 4.47Å; W253-W257 AromaticContact CH2-CZ3 3.39Å; W253-W257 HydrophobicContact CH2-CZ3 3.39Å; W253-W257 HydrophobicContact CZ2-CD2 4.11Å; W253-W257 AromaticContact CZ2-CE3 3.83Å; W253-W257 HydrophobicContact CZ2-CE3 3.83Å; W253-W257 AromaticContact CZ2-CH2 3.89Å; W253-W257 HydrophobicContact CZ2-CH2 3.89Å; W253-W257 HydrophobicContact CZ2-CZ2 4.15Å; W253-W257 AromaticContact CZ2-CZ3 3.72Å; W253-W257 HydrophobicContact CZ2-CZ3 3.72Å; W253-W257 HydrophobicContact CZ3-CE3 4.24Å; W253-W257 AromaticContact CZ3-CZ3 3.99Å; W253-W257 HydrophobicContact CZ3-CZ3 3.99Å; W253-W257 WeakPolarHBondContact O-CB 3.06Å; W253-W257 PolarHBondContact O-N 2.87Å; W257-E260 PolarHBondContact O-N 3.22Å; W257-K261 WeakPolarHBondContact O-CG 3.4Å; W257-K261 PolarHBondContact O-N 3.27Å
258K85.9Confident78.7Confident144 Ų144122.3 Ų122.363%0.62657%0.565SS**Hα-helixtrans-68.3-34.7172.7-163.8175.7-174.3175.40112.2L254 V255 F256 K262L254-K258 VanDerWaalsContact O-CB 3.23Å; L254-K258 WeakPolarHBondContact O-CB 3.45Å; L254-K258 PolarHBondContact O-N 3.49Å; V255-K258 PolarHBondContact O-N 2.69Å; F256-K258 VanDerWaalsContact C-N 3.32Å; F256-K258 PolarHBondContact O-N 3.33Å; K258-K262 WeakPolarHBondContact O-CG 3.43Å; K258-K262 PolarHBondContact O-N 3.13Å; K258-K262 VanDerWaalsContact O-N 3.16Å
259K84Confident76.8Confident150 Ų150123.7 Ų123.765%0.65257%0.574SS**Hα-helixtrans-67.4-39.2174.2-171.2-178.4178.3-176.90111.4V255 F256 K263V255-K259 WeakPolarHBondContact O-CB 3.1Å; V255-K259 PolarHBondContact O-N 3.41Å; F256-K259 WeakPolarHBondContact O-CB 3.44Å; F256-K259 PolarHBondContact O-N 2.98Å; F256-K259 VanDerWaalsContact O-N 3.1Å; K259-K263 PolarHBondContact O-N 2.9Å; K259-K263 VanDerWaalsContact O-N 3.16Å
260E78.9Confident74.5Confident87 Ų87124.7 Ų124.741%0.40759%0.587SS.*Hα-helixtrans-65.7-48.6176.5-139.1-167.1147.200111.4F256 W257 K262 K263 Y264F256-E260 PolarHBondContact O-N 2.8Å; W257-E260 PolarHBondContact O-N 3.22Å; E260-K262 VanDerWaalsContact C-N 3.3Å; E260-K262 PolarHBondContact O-N 3.47Å; E260-K263 WeakPolarHBondContact O-CA 3.44Å; E260-K263 VanDerWaalsContact O-CB 3.27Å; E260-K263 WeakPolarHBondContact O-CB 3.36Å; E260-K263 PolarHBondContact O-N 3.4Å; E260-Y264 HydrophobicContact CB-CE2 4.11Å; E260-Y264 HydrophobicContact CG-CD2 4.4Å; E260-Y264 HydrophobicContact CG-CE2 3.52Å; E260-Y264 WeakPolarHBondContact O-CD2 3.34Å; E260-Y264 PolarHBondContact O-N 3.47Å; E260-Y264 VanDerWaalsContact O-N 3.09Å; E260-Y264 WeakPolarHBondContact OE1-CE2 3.39Å; E260-Y264 PolarHBondContact OE1-OH 2.79Å
261K73.3Confident72.4Confident133 Ų133128.7 Ų128.758%0.57861%0.609SS**Hα-helixtrans-57.3-41176.1-73.7-167.7176.5-167.80113.2W257 K263 Y264 E265W257-K261 WeakPolarHBondContact O-CG 3.4Å; W257-K261 PolarHBondContact O-N 3.27Å; K261-K263 VanDerWaalsContact C-N 3.26Å; K261-K263 PolarHBondContact O-N 2.98Å; K261-Y264 PolarHBondContact O-N 2.99Å; K261-E265 PolarHBondContact O-N 2.8Å; K261-E265 VanDerWaalsContact O-N 3.1Å
262K68.6Low70.6Confident130 Ų130133.2 Ų133.257%0.56563%0.628SS**Hα-helixtrans-63.9-30.8173.4-75.1-174.7174.3-160.30113.2K258 E260 E266K258-K262 WeakPolarHBondContact O-CG 3.43Å; K258-K262 PolarHBondContact O-N 3.13Å; K258-K262 VanDerWaalsContact O-N 3.16Å; E260-K262 VanDerWaalsContact C-N 3.3Å; E260-K262 PolarHBondContact O-N 3.47Å; K262-E266 PolarHBondContact O-N 2.85Å
263K62.2Low68.7Low143 Ų143136.5 Ų136.562%0.62265%0.645SS**Hα-helixtrans-71.4-35.7176.8-161.7-173.5176.5-1610111.7K259 E260 K261 E267K259-K263 PolarHBondContact O-N 2.9Å; K259-K263 VanDerWaalsContact O-N 3.16Å; E260-K263 WeakPolarHBondContact O-CA 3.44Å; E260-K263 VanDerWaalsContact O-CB 3.27Å; E260-K263 WeakPolarHBondContact O-CB 3.36Å; E260-K263 PolarHBondContact O-N 3.4Å; K261-K263 VanDerWaalsContact C-N 3.26Å; K261-K263 PolarHBondContact O-N 2.98Å; K263-E267 PolarHBondContact O-N 3.36Å
264Y57.8Low67.2Low133 Ų133141.1 Ų141.152%0.52266%0.662SS.*Hα-helixtrans-72.9-37.6176.1-63.8-69.4000112.8E260 K261 E266 E267E260-Y264 HydrophobicContact CB-CE2 4.11Å; E260-Y264 HydrophobicContact CG-CD2 4.4Å; E260-Y264 HydrophobicContact CG-CE2 3.52Å; E260-Y264 WeakPolarHBondContact O-CD2 3.34Å; E260-Y264 PolarHBondContact O-N 3.47Å; E260-Y264 VanDerWaalsContact O-N 3.09Å; E260-Y264 WeakPolarHBondContact OE1-CE2 3.39Å; E260-Y264 PolarHBondContact OE1-OH 2.79Å; K261-Y264 PolarHBondContact O-N 2.99Å; Y264-E266 VanDerWaalsContact C-N 3.3Å; Y264-E266 PolarHBondContact O-N 3.22Å; Y264-E267 PolarHBondContact O-N 2.91Å
265E56.3Low65.3Low151 Ų151145 Ų14571%0.70668%0.678SS**Hα-helixtrans-69.2-24.7176.3-75179168.600113.3K261K261-E265 PolarHBondContact O-N 2.8Å; K261-E265 VanDerWaalsContact O-N 3.1Å
266E54.3Low63Low162 Ų162148.4 Ų148.476%0.75769%0.693SS**Hα-helixtrans-84-16.2177.1-164.4168.2-170.600113K262 Y264K262-E266 PolarHBondContact O-N 2.85Å; Y264-E266 VanDerWaalsContact C-N 3.3Å; Y264-E266 PolarHBondContact O-N 3.22Å
267E53.5Low61.5Low154 Ų154146.6 Ų146.672%0.7270%0.702SS**Hα-helixtrans-92.2-9.6-179.9-144.9167.4-163.200112.9K263 Y264K263-E267 PolarHBondContact O-N 3.36Å; Y264-E267 PolarHBondContact O-N 2.91Å
268E49.4Very low59.7Low168 Ų168150.3 Ų150.379%0.78573%0.725SS**  trans-109.620.8-173.5-139.6175.1-150.700114.3P270E268-P270 VanDerWaalsContact O-CD 3.31Å; E268-P270 WeakPolarHBondContact O-CD 3.47Å
269T56.6Low57.8Low109 Ų109147 Ų14767%0.66973%0.725SS**  trans-84.9110.8164.956.50000109.8
270P47.1Very low55.9Low121 Ų121146 Ų14679%0.78673%0.733SS**  trans-71.1134.818029-31.6000110.2E268 E272E268-P270 VanDerWaalsContact O-CD 3.31Å; E268-P270 WeakPolarHBondContact O-CD 3.47Å; P270-E272 PolarHBondContact O-N 2.77Å; P270-E272 VanDerWaalsContact O-N 3.11Å
271N50.8Low54Low161 Ų161151.6 Ų151.686%0.86176%0.756SS**  trans-51.8114.9176.8-78.1-24.6000111.2I273N271-I273 PolarHBondContact O-N 2.92Å
272E58.4Low52.3Low190 Ų190149.4 Ų149.489%0.88876%0.763SS**  trans-67.1116.1170.7-164.2174.6-168.500109.1P270 R274P270-E272 PolarHBondContact O-N 2.77Å; P270-E272 VanDerWaalsContact O-N 3.11Å; E272-R274 PolarHBondContact O-N 2.83Å
273I55.9Low50.8Low156 Ų156152.7 Ų152.780%0.878%0.777SS**  trans-69.3113177.9-61.8169.7000107.8N271 E275N271-I273 PolarHBondContact O-N 2.92Å; I273-E275 PolarHBondContact O-N 2.91Å
274R60.1Low49.6Very low236 Ų236153 Ų15389%0.89178%0.784SS**  trans-87.999.3173.2-177.2152.657.1106.7-0.1109E272E272-R274 PolarHBondContact O-N 2.83Å
275E52.6Low48.7Very low175 Ų175152.6 Ų152.682%0.81880%0.796SS**PPolyproline II helixtrans-68.8149.2166.9-98.7178.8159.700111.3I273I273-E275 PolarHBondContact O-N 2.91Å
276D44.7Very low48Very low163 Ų163154.3 Ų154.387%0.87280%0.801SS**PPolyproline II helixtrans-64.3161.7-159.6-68.6-64.2000117.3
277A58.2Low47.8Very low94 Ų94150.8 Ų150.878%0.77779%0.792SS**PPolyproline II helixtrans-88152.5177.300000112.9
278E45.6Very low47Very low196 Ų196150.7 Ų150.792%0.91680%0.797SS**  trans-153.8145.6147.3-162.477-120.200110.9
279A44.8Very low46.5Very low76 Ų76147.5 Ų147.563%0.62879%0.793SS**  trans-91.9169.6-161.700000115.2
280P45.2Very low45.8Very low129 Ų129149.6 Ų149.684%0.83880%0.799SS**  -145.316693.734.1-15.3000117.2
281K38.8Very low45.3Very low204 Ų204148.4 Ų148.489%0.88779%0.793SS**  trans-63.1161.9176.5-52.2173.4-179.4171.80110.7
282A37.2Very low44.6Very low86 Ų86145.9 Ų145.971%0.71179%0.789SS**  cis-175.1153.641.300000112.6
283K37Very low43.8Very low199 Ų199141.9 Ų141.987%0.86578%0.782SS**  trans54.5130145.5-63.2179.2-177.1-174.10119
284L37.4Very low43Very low149 Ų149145.4 Ų145.478%0.7879%0.785SS**  -175.711970-174.766.1000112
285V39.1Very low42.1Very low126 Ų126139.7 Ų139.776%0.76478%0.781SS**  42.2130.8129.9174.90000117.9
286K41.4Very low41.5Very low187 Ų187134.7 Ų134.781%0.81378%0.777SS**  cis179.2-168.811.7-146.5-175179166.60108.4
287P49.2Very low41.3Very low87 Ų87132.5 Ų132.557%0.56577%0.774SS**  -129.7-177.3-92.246.1-30.4000117.1
288N37.2Very low40.4Very low153 Ų153133.3 Ų133.382%0.81877%0.774SS**  trans71.9134.2151.9-62.5-12.7000117.3
289S38.4Very low40.2Very low101 Ų101135.2 Ų135.271%0.70677%0.773SS**  cis-167.3147.836.848.40000114.2
290L42.3Very low40Very low153 Ų153137.4 Ų137.480%0.80178%0.783SS**  trans79.9103.5142.5-65.5155.7000121.8
291S36.3Very low39.5Very low95 Ų95135.1 Ų135.166%0.66478%0.783SS**  73.6116.9120.1-50.30000122.5
292S37.6Very low39.4Very low109 Ų109129.8 Ų129.876%0.76278%0.777SS**  trans44.1135.1131.966.60000119.3
293S40.7Very low39.6Very low106 Ų106131.4 Ų131.474%0.74178%0.784SS**  cis176.3148.813.439.30000107.8
294R39.3Very low39.7Very low230 Ų230126.7 Ų126.787%0.86878%0.776SS**  trans81.896.2143-141.2165.1175174-3.2119.9
295S40.7Very low39.9Very low115 Ų115125.2 Ų125.280%0.80477%0.773SS**  70.3123.2117.4-52.50000123.2
296G40Very low39.8Very low71 Ų71128 Ų12873%0.73278%0.778SS**  trans94.896.713600000115.6
297S40.2Very low39.8Very low116 Ų116123.7 Ų123.781%0.81177%0.771SS**  53.7133.863.9-1760000114.3
298S40.4Very low39.2Very low112 Ų112127.9 Ų127.978%0.78379%0.785SS**  cis-166.4157.3-16.4-78.70000107
299R41Very low39.3Very low236 Ų236126.1 Ų126.189%0.89178%0.779SS**  trans-68.1161.6174.2-64.7157.567.8-1722.9112.6
300S40.3Very low39.4Very low121 Ų121129.6 Ų129.685%0.84678%0.784SS**  157.6125.9128.5-65.80000108.7
301G35.7Very low38.9Very low81 Ų81129.1 Ų129.184%0.83578%0.782SS**  88.4135.179.500000109.4
302A36.9Very low38.8Very low92 Ų92129 Ų12976%0.7678%0.781SS**  cis-165.4162.611.800000110.6
303S40.6Very low38.7Very low121 Ų121130.1 Ų130.185%0.84678%0.784SS**  trans26.2151.9137.7-47.20000120.9
304S38.9Very low38.3Very low100 Ų100133.5 Ų133.570%0.69979%0.788SS**  cis-179.9147.123.8139.10000105.8
305T41.5Very low38Very low117 Ų117134 Ų13472%0.71879%0.79SS**  -171.9144.384.935.50000112.5
306Q38.2Very low37.5Very low186 Ų186132.1 Ų132.187%0.86979%0.788SS**  trans33.2140.2138.2-56.9-177-3.900120.3
307S39.4Very low37.2Very low95 Ų95138 Ų13866%0.66480%0.797SS**  cis-170.1155.635.374.90000112.8
308M38.1Very low36.9Very low176 Ų176144.1 Ų144.187%0.86780%0.802SS**  trans59141.5153.3-56.7-149.7-85.700122.1
309V39Very low37.4Very low115 Ų115144.2 Ų144.270%0.69780%0.8SS**  cis-175.4132.3-24.6136.50000105
310H39.7Very low37Very low175 Ų175144.4 Ų144.481%0.8180%0.8SS**  trans47.9144.9149.4-70.62.5000122.7
311N33.2Very low37.3Very low142 Ų142143.9 Ų143.976%0.75979%0.794SS**  cis-173.9170.5-1.3-173.218.1000108.3
312S33.2Very low38Very low92 Ų92146.3 Ų146.364%0.64380%0.795SS**  trans110.494.7159.376.10000119.1
313T36.7Very low37.9Very low134 Ų134146.3 Ų146.382%0.82280%0.795SS**  71.6116.8128.853.90000122.1
314Q32.3Very low37.9Very low177 Ų177147.3 Ų147.383%0.82780%0.796SS**  trans-23.8147.4155-66.7176.8-18.600115.5
315R31.3Very low37.7Very low241 Ų241147.5 Ų147.591%0.90980%0.804SS**  -178.1147.966.7-142.1177.2-147.2173.14.8109.2
316G31.9Very low37.5Very low74 Ų74145.8 Ų145.876%0.76380%0.802SS**  trans133.796.7152.700000118.2
317H33.7Very low37.4Very low196 Ų196144.7 Ų144.791%0.90780%0.801SS**  trans8.5129.9156.7-74.4-72.9000122.8
318R33.7Very low37.1Very low243 Ų243150.1 Ų150.192%0.91781%0.812SS**  trans-83.6155.8160.5-124.4-162.7179.8-179.20.6111.8
319P50.2Low37Very low114 Ų114149.4 Ų149.474%0.7481%0.807SS**  trans-104.1167.3-176.438.8-27.9000113.2
320R33.6Very low36.9Very low240 Ų240151.9 Ų151.991%0.90682%0.816SS**  trans-160.4133.5152.7-149.3-179.7-164.8-167.23.7112.2
321P45.4Very low36.5Very low111 Ų111146.8 Ų146.872%0.72181%0.811SS**PPolyproline II helixtrans-101157.6157.134.9-26.9000111.3
322P50.5Low36.8Very low131 Ų131148.6 Ų148.685%0.85182%0.815SS**PPolyproline II helixtrans-97.6154.8168.335.4-27.5000112.4
323A35.8Very low37.5Very low92 Ų92149.1 Ų149.176%0.7682%0.816SS**PPolyproline II helixtrans-95138.8172.300000111.4
324V39.9Very low37.8Very low142 Ų142148.4 Ų148.486%0.86181%0.814SS**  trans35.2124.9135.4-1670000119.9
325A34.8Very low38Very low105 Ų105143.5 Ų143.587%0.86881%0.81SS**  trans-133.9152148.900000109.9
326A37Very low39Very low81 Ų81141.3 Ų141.367%0.66981%0.808SS**  trans-104.4174.7-15600000115.6
327L36.4Very low39.7Very low163 Ų163143.9 Ų143.985%0.85381%0.811SS**  trans73.2115.9149.4-74.3148.8000119.6
328K32.2Very low40.2Very low208 Ų208143 Ų14390%0.90481%0.807SS**  -168.6158.4103.4-139.3169.2178.91790112.8
329E36.5Very low40.8Very low161 Ų161136.8 Ų136.875%0.75280%0.801SS**  trans-97.3155.6-153.9174.8-174.4150.600114.7
330N36.4Very low41.1Very low168 Ų168136.8 Ų136.890%0.89880%0.801SS**  trans-162.1126142.6-92.4-31000110.4
331G32.7Very low41.9Very low68 Ų68131.3 Ų131.370%0.70180%0.797SS**  trans-71.9180177.600000114.1
332Q38.9Very low41.7Very low179 Ų179130.4 Ų130.484%0.83680%0.799SS**  cis-167.1-174.619.3-170.366.50.700106.6
333P47.6Very low41.2Very low103 Ų103135.1 Ų135.167%0.66980%0.801SS**  -94.4179.2-103.142.1-22.2000115.7
334P42.5Very low41.4Very low120 Ų120137 Ų13778%0.77980%0.803SS**PPolyproline II helixtrans-87.4126.1-172.432.7-29.9000113.3
335G36.4Very low41.5Very low73 Ų73136.3 Ų136.375%0.75380%0.8SS**PPolyproline II helixtrans-91.5121.1164.800000110.8
336F52.3Low41.8Very low196 Ų196137.5 Ų137.586%0.8680%0.796SS**PPolyproline II helixtrans-64.7144.5168.8-74.4-93.2000111.3
337P48.5Very low42.4Very low127 Ų127139.6 Ų139.683%0.82580%0.8SS**PPolyproline II helixtrans-102.8120.9148.1-4.723.8000110.6
338Q43Very low43.3Very low177 Ų177136.6 Ų136.683%0.82779%0.791SS**PPolyproline II helixtrans-84151.7158.6-70.6-177.4-7.900109.6
339S45.9Very low44.2Very low114 Ų114132.5 Ų132.580%0.79779%0.785SS**  trans88.7134166.8770000118.5
340P57.2Low44.5Very low113 Ų113134.7 Ų134.773%0.73479%0.792SS**PPolyproline II helixtrans-81.9160.1-176.933.8-34.1000112.2
341P50.2Low44.9Very low125 Ų125132.9 Ų132.981%0.81279%0.787SS**PPolyproline II helixtrans-67.5139.8175.927.8-32000111.2
342A41.4Very low45.7Very low93 Ų93135.1 Ų135.177%0.76979%0.789SS**PPolyproline II helixtrans-60139.8173.600000111.1T344A342-T344 PolarHBondContact O-N 2.76Å
343Y40.3Very low46.2Very low229 Ų229135.3 Ų135.390%0.89879%0.79SS**PPolyproline II helixtrans-58.2119170.2-84.7-97.3000109.9T345Y343-T345 PolarHBondContact O-N 2.98Å
344T39.1Very low46.7Very low131 Ų131135.5 Ų135.580%0.80479%0.792SS**  trans-66.8110160.8-39.40000107.3A342 V346A342-T344 PolarHBondContact O-N 2.76Å; T344-V346 PolarHBondContact O-N 3.03Å
345T42Very low47Very low129 Ų129135.5 Ų135.579%0.79179%0.792SS**  trans-62.4107.3170.5-8.10000108.2Y343 V347Y343-T345 PolarHBondContact O-N 2.98Å; T345-V347 PolarHBondContact O-N 2.8Å
346V41.2Very low47.5Very low130 Ų130138.7 Ų138.779%0.78880%0.796SS**  trans-67.6111.7166.2177.60000106.7T344 P348T344-V346 PolarHBondContact O-N 3.03Å; V346-P348 WeakPolarHBondContact O-CD 3.16Å
347V50.1Low47.1Very low125 Ų125135.2 Ų135.276%0.75879%0.791SS**PPolyproline II helixtrans-62.3122.5168.7176.20000107.6T345T345-V347 PolarHBondContact O-N 2.8Å
348P56.1Low46.6Very low100 Ų100134.6 Ų134.665%0.64979%0.787SS**PPolyproline II helixtrans-66142.3173.424.3-29.1000109.6V346 K350V346-P348 WeakPolarHBondContact O-CD 3.16Å; P348-K350 PolarHBondContact O-N 2.82Å
349P50.3Low46.3Very low121 Ų121135.8 Ų135.879%0.78679%0.79SS**PPolyproline II helixtrans-61132.1173.624.5-29.8000109.4T351P349-T351 PolarHBondContact O-N 2.98Å
350K43.7Very low45.7Very low207 Ų207139.5 Ų139.590%0.979%0.792SS**PPolyproline II helixtrans-56.1119.2171.6-78.1179.6175179.30109.3P348P348-K350 PolarHBondContact O-N 2.82Å
351T44.8Very low44.9Very low130 Ų130141.4 Ų141.480%0.79880%0.796SS**PPolyproline II helixtrans-62.3135.5164.7-35.50000108.8P349 E353P349-T351 PolarHBondContact O-N 2.98Å; T351-E353 PolarHBondContact O-N 3.42Å
352P49.4Very low44.2Very low115 Ų115140.5 Ų140.575%0.74779%0.792SS**PPolyproline II helixtrans-63.5135.2176.6-16.529.2000110.7
353E47.8Very low44Very low183 Ų183147 Ų14786%0.85580%0.797SS**PPolyproline II helixtrans-58.7133.4172.1-151.1170.4-16400109.8T351T351-E353 PolarHBondContact O-N 3.42Å
354P58.5Low44Very low107 Ų107142.8 Ų142.870%0.69579%0.79SS**PPolyproline II helixtrans-68.1143.9175.627.2-31.8000110.2V356P354-V356 PolarHBondContact O-N 2.98Å
355P50.1Low43.9Very low121 Ų121146 Ų14679%0.78680%0.799SS**PPolyproline II helixtrans-63.3129.5-178.824.7-31.5000110.7T357P355-T357 PolarHBondContact O-N 3.18Å; P355-T357 VanDerWaalsContact O-N 3.16Å
356V46.8Very low43.7Very low140 Ų140145.8 Ų145.885%0.84880%0.802SS**  trans-57114.2173.3178.30000109.3P354P354-V356 PolarHBondContact O-N 2.98Å
357T43.4Very low43.7Very low122 Ų122143.2 Ų143.275%0.74880%0.802SS**  trans-76.2139.516632.70000110.2P355 K359P355-T357 PolarHBondContact O-N 3.18Å; P355-T357 VanDerWaalsContact O-N 3.16Å; T357-K359 PolarHBondContact O-N 3Å
358P38.4Very low43.6Very low115 Ų115143.2 Ų143.275%0.74780%0.804SS**  trans-71.1132.3-171.327.2-32.9000111.4F360P358-F360 PolarHBondContact O-N 2.89Å; P358-F360 VanDerWaalsContact O-N 3.11Å
359K36.2Very low43Very low202 Ų202145 Ų14588%0.87881%0.814SS**  trans-62.1108.8168.1-72.5179178.4176.50109.3T357 N361T357-K359 PolarHBondContact O-N 3Å; K359-N361 PolarHBondContact O-N 2.98Å
360F33.2Very low42.9Very low192 Ų192144.8 Ų144.884%0.84281%0.812SS**  trans-80.297.7168.2-146.4-94.3000108.6P358 S362P358-F360 PolarHBondContact O-N 2.89Å; P358-F360 VanDerWaalsContact O-N 3.11Å; F360-S362 PolarHBondContact O-N 3.11Å
361N39.4Very low43.2Very low153 Ų153140.5 Ų140.582%0.81881%0.806SS**  trans-70111.9163.3-93.3-15.3000108K359K359-N361 PolarHBondContact O-N 2.98Å
362S36Very low43Very low105 Ų105140.9 Ų140.973%0.73481%0.808SS**  trans-115.490.4159.1-157.50000108.9F360F360-S362 PolarHBondContact O-N 3.11Å
363R37.8Very low42.5Very low229 Ų229143.3 Ų143.386%0.86481%0.814SS**  trans-91.7135.4160.3-151.4-179.7-152.41765.8106
364N39Very low42Very low141 Ų141142.5 Ų142.575%0.75481%0.812SS**  trans78.498.9171.3-60.8-6.4000117.2
365M38.3Very low41.3Very low200 Ų200143.8 Ų143.899%0.98582%0.817SS**  trans-140.1118.7131.1-103.9167.179.300109
366S38.3Very low41.2Very low124 Ų124143.8 Ų143.887%0.86782%0.817SS**  trans-97132.7-178.947.70000111
367G39.6Very low40.6Very low75 Ų75141 Ų14177%0.77381%0.81SS**  trans109.4160153.900000116.1
368P48.1Very low40.5Very low126 Ų126142.5 Ų142.582%0.81881%0.808SS**  cis-122.5155.6-25.335.2-19.4000113.1
369T43.7Very low40.8Very low138 Ų138144 Ų14485%0.84782%0.815SS**  trans-64.1146.6163.5100000111
370P48.4Very low41.2Very low116 Ų116142.8 Ų142.875%0.75381%0.81SS**  -160.4-165.188.840.8-19.4000114.2
371P50.7Low41.8Very low117 Ų117138 Ų13876%0.7681%0.806SS**  cis-117.2164.7-40.328.4-10.1000113.1L373P371-L373 PolarHBondContact O-N 3.49Å
372T40.8Very low41.9Very low138 Ų138139.9 Ų139.985%0.84781%0.807SS**  trans-49.6122.3169.4-45.50000113
373L39.1Very low42.3Very low165 Ų165143.1 Ų143.186%0.86481%0.811SS**  trans-96115.7170-138.1142.5000108.8P371P371-L373 PolarHBondContact O-N 3.49Å
374M37.3Very low43Very low166 Ų166138 Ų13882%0.81881%0.805SS**PPolyproline II helixtrans-62.3136.9-176.8-68.1-165.217600112.2
375V43.2Very low43.5Very low134 Ų134141.5 Ų141.581%0.81283%0.831SS**PPolyproline II helixtrans-77125.8164.4176.20000108.4
376P47.7Very low43.8Very low121 Ų121138.6 Ų138.679%0.78682%0.823SS**PPolyproline II helixtrans-83.1130.3161.3-0.919.4000109.6
377A34.9Very low44.1Very low83 Ų83139.3 Ų139.369%0.68682%0.821SS**PPolyproline II helixtrans-77.1145.2172.100000111.8
378Q39.7Very low44.3Very low153 Ų153142.9 Ų142.972%0.71582%0.823SS**  trans58.4123.7144.2-63.6-87.8-18.800119.4
379T44.7Very low44.1Very low146 Ų146143.9 Ų143.990%0.89682%0.824SS**  -152.2116.9117.415.80000110.7
380K45.4Very low44.1Very low177 Ų177144.3 Ų144.377%0.7782%0.822SS**  trans-75.7140.3157.7-82178.1171.2178.90109.7
381A46.7Very low43.8Very low92 Ų92146.1 Ų146.176%0.7683%0.827SS**  trans-150.9115.4151.200000105.1
382F40.5Very low43.3Very low192 Ų192148.2 Ų148.284%0.84283%0.832SS**  39.7116.578.1-80-76.5000111.1
383Q44Very low43.5Very low173 Ų173149 Ų14981%0.80883%0.83SS**  -166.6153.451.1-109.6168.3-21.800111.7
384T52.6Low43.9Very low121 Ų121147.7 Ų147.774%0.74283%0.828SS**  trans-3.1141.6141.136.90000118
385V49.9Very low44.5Very low214 Ų214146 Ų146100%1.29783%0.829SS**  -150.2055.8167.70000110.2

Retrieved 385 of 385 residues in 99.2 ms (Link to these results)

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