A0A2K6EB66_MACNE Loading...

Serine protease 37

AlphaFold DB , UniProt , Accession A0A2K6EB66, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene PRSS37, Length 235 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
1M37.6Very low35.7Very low216 Ų216159 Ų159100%1.06481%0.809SS**  01120-85154.862.500108.6F3M1-F3 HydrophobicContact CE-CE2 3.89Å; M1-F3 HydrophobicContact CE-CZ 4.34Å
2K29.7Very low35.9Very low205 Ų205149.8 Ų149.889%0.89178%0.783SS**  trans-93.1117.3173.1-78.1180174178.60107.7
3F32.3Very low36.1Very low167 Ų167148.1 Ų148.173%0.73278%0.783SS**  trans-91.8113.7169.9-85.8-86000108.7M1M1-F3 HydrophobicContact CE-CE2 3.89Å; M1-F3 HydrophobicContact CE-CZ 4.34Å
4I36.4Very low36.1Very low130 Ų130149.7 Ų149.767%0.66778%0.781SS**  trans-91.5111.5171.6-64.4171000106.3Y6I4-Y6 HydrophobicContact CG2-CD2 4.03Å; I4-Y6 HydrophobicContact CG2-CE2 3.88Å
5F34.9Very low36.2Very low185 Ų185151 Ų15181%0.81179%0.787SS**  trans-82.4110.7167.7-96-91.4000108.5L7F5-L7 PolarHBondContact O-N 3.16Å
6Y33.1Very low36Very low206 Ų206153.2 Ų153.281%0.80879%0.789SS**  trans-75.1108.3166.7-81.7-89000108.6I4 G8I4-Y6 HydrophobicContact CG2-CD2 4.03Å; I4-Y6 HydrophobicContact CG2-CE2 3.88Å; Y6-G8 PolarHBondContact O-N 3.32Å
7L36.2Very low36.4Very low159 Ų159148.6 Ų148.683%0.83278%0.779SS**  trans-73.2102162.8-11292.1000107.9F5 V9F5-L7 PolarHBondContact O-N 3.16Å; L7-V9 PolarHBondContact O-N 3.05Å
8G34.9Very low36.2Very low73 Ų73148.2 Ų148.275%0.75378%0.778SS**  trans-71.8105.3167.300000109.6Y6 L10Y6-G8 PolarHBondContact O-N 3.32Å; G8-L10 PolarHBondContact O-N 2.64Å; G8-L10 VanDerWaalsContact O-N 3.15Å
9V38.8Very low36.5Very low117 Ų117146.2 Ų146.271%0.70978%0.777SS**  trans-75.398.9169.1-178.20000107.4L7 T11L7-V9 PolarHBondContact O-N 3.05Å; V9-T11 HydrophobicContact CG1-CG2 4.09Å; V9-T11 PolarHBondContact O-N 2.58Å
10L40.8Very low36.6Very low173 Ų173142.5 Ų142.591%0.90676%0.764SS**  trans-69.395.8165-106.3139.3000107.4G8 G12G8-L10 PolarHBondContact O-N 2.64Å; G8-L10 VanDerWaalsContact O-N 3.15Å; L10-G12 PolarHBondContact O-N 2.63Å
11T37.9Very low36.8Very low118 Ų118143 Ų14372%0.72477%0.772SS**  trans-69.879.2168.551.80000108.6V9 T13V9-T11 HydrophobicContact CG1-CG2 4.09Å; V9-T11 PolarHBondContact O-N 2.58Å; T11-T13 PolarHBondContact O-N 3.48Å
12G38.8Very low37.1Very low48 Ų48136.8 Ų136.850%0.49574%0.74SS.*  trans-68.2106.4162.600000107.7L10 F14L10-G12 PolarHBondContact O-N 2.63Å; G12-F14 VanDerWaalsContact C-N 3.27Å; G12-F14 VanDerWaalsContact O-CD2 3.3Å; G12-F14 WeakPolarHBondContact O-CD2 3.23Å; G12-F14 PolarHBondContact O-N 2.94Å
13T38.2Very low37.7Very low128 Ų128136.7 Ų136.779%0.78574%0.74SS**  trans-65.991.9167.643.40000108T11 L15T11-T13 PolarHBondContact O-N 3.48Å; T13-L15 PolarHBondContact O-N 3.11Å
14F36.5Very low38.7Very low171 Ų171135 Ų13575%0.7573%0.734SS**  trans-68109.5164.2-71.6-86000107.1G12 F16G12-F14 VanDerWaalsContact C-N 3.27Å; G12-F14 VanDerWaalsContact O-CD2 3.3Å; G12-F14 WeakPolarHBondContact O-CD2 3.23Å; G12-F14 PolarHBondContact O-N 2.94Å; F14-F16 VanDerWaalsContact C-N 3.3Å; F14-F16 HydrophobicContact CB-CD2 4.34Å; F14-F16 HydrophobicContact CB-CE2 3.97Å; F14-F16 HydrophobicContact CB-CZ 4.43Å; F14-F16 WeakPolarHBondContact O-CD2 3.29Å; F14-F16 PolarHBondContact O-N 2.79Å
15L36.8Very low40Very low169 Ų169131.2 Ų131.289%0.88572%0.715SS**  trans-70.295.1165.9-70.4171.1000106.6T13 A17T13-L15 PolarHBondContact O-N 3.11Å; L15-A17 PolarHBondContact O-N 3.03Å
16F33.7Very low41.6Very low186 Ų186124.8 Ų124.882%0.81669%0.692SS**  trans-65.1113.2162-69.4-84.8000106.5F14 D18F14-F16 VanDerWaalsContact C-N 3.3Å; F14-F16 HydrophobicContact CB-CD2 4.34Å; F14-F16 HydrophobicContact CB-CE2 3.97Å; F14-F16 HydrophobicContact CB-CZ 4.43Å; F14-F16 WeakPolarHBondContact O-CD2 3.29Å; F14-F16 PolarHBondContact O-N 2.79Å; F16-D18 VanDerWaalsContact C-N 3.29Å; F16-D18 PolarHBondContact O-N 2.8Å
17A41.9Very low44.2Very low75 Ų75115 Ų11562%0.6265%0.654SS**  trans-6896.5166.600000106.6L15 S19 L153L15-A17 PolarHBondContact O-N 3.03Å; A17-S19 PolarHBondContact O-N 3.17Å; A17-L153 HydrophobicContact CB-CD1 3.82Å
18D33.3Very low46.9Very low141 Ų141108.5 Ų108.575%0.75462%0.621SS**  trans-62.8114.1169.9-168.210.9000107F16 S20F16-D18 VanDerWaalsContact C-N 3.29Å; F16-D18 PolarHBondContact O-N 2.8Å; D18-S20 PolarHBondContact O-N 3.23Å
19S41.3Very low49.8Very low110 Ų110105.9 Ų105.977%0.76959%0.589SS**  trans-73.171.3170.367.60000107.2A17 V21A17-S19 PolarHBondContact O-N 3.17Å; S19-V21 PolarHBondContact O-N 3.37Å; S19-V21 VanDerWaalsContact O-N 3.09Å
20S38.1Very low52.4Low73 Ų73100.4 Ų100.451%0.5156%0.555SS.*  trans-56.4122.416967.20000105.9D18 Q22D18-S20 PolarHBondContact O-N 3.23Å; S20-Q22 PolarHBondContact O-N 2.94Å
21V42.1Very low54.9Low152 Ų15292.1 Ų92.192%0.92151%0.512SS*.  trans-55.695.6168.8173.40000106.3S19 K23S19-V21 PolarHBondContact O-N 3.37Å; S19-V21 VanDerWaalsContact O-N 3.09Å; V21-K23 PolarHBondContact O-N 3.22Å
22Q43.5Very low57.5Low87 Ų8787.2 Ų87.241%0.40748%0.48SS..  trans-69.5128.2-172.7-105.9174.7-14.900107.9S20 E24S20-Q22 PolarHBondContact O-N 2.94Å; Q22-E24 PolarHBondContact O-N 2.74Å; Q22-E24 VanDerWaalsContact O-N 3.15Å
23K42.5Very low60Low202 Ų20284.9 Ų84.988%0.87846%0.457SS*.  trans-34.7119.6156.3-172.1179-173.2179.10107.9V21 D25V21-K23 PolarHBondContact O-N 3.22Å; K23-D25 PolarHBondContact O-N 2.65Å
24E53.9Low62.4Low132 Ų13283.5 Ų83.562%0.61744%0.44SS*.  trans-40.4100.7-171.8-89.5-171.7155.300111.1Q22 P26 K69Q22-E24 PolarHBondContact O-N 2.74Å; Q22-E24 VanDerWaalsContact O-N 3.15Å; E24-P26 WeakPolarHBondContact O-CD 3.45Å; E24-K69 IonicContact OE1-NZ 2.64Å; E24-K69 PolarHBondContact OE1-NZ 3.28Å
25D62.5Low64.6Low50 Ų5076 Ų7627%0.26741%0.409SS..  trans-77.7114.6160.6177.3-0.6000105.5K23 A27 R150 N152K23-D25 PolarHBondContact O-N 2.65Å; D25-A27 PolarHBondContact O-N 3.42Å; D25-A27 VanDerWaalsContact O-N 3.09Å; D25-A27 PolarHBondContact OD1-N 3.23Å; D25-R150 WeakPolarHBondContact O-CD 2.98Å; D25-N152 VanDerWaalsContact CB-ND2 3.31Å; D25-N152 WeakPolarHBondContact CB-ND2 3.38Å; D25-N152 PolarHBondContact OD2-ND2 3.01Å
26P68.3Low66.4Low50 Ų5075.8 Ų75.833%0.32540%0.403SS..  trans-65.2-12-178.424.4-30.1000112.6E24 P28 K114 R150E24-P26 WeakPolarHBondContact O-CD 3.45Å; P26-P28 VanDerWaalsContact O-N 3.13Å; P26-K114 HydrophobicContact CB-CG 4.33Å; P26-R150 PolarHBondContact O-NE 3.33Å; P26-R150 PolarHBondContact O-NH2 3.21Å
27A87.9Confident68.1Low1 Ų173.8 Ų73.81%0.00839%0.394CS..  trans35.656.8-17600000110.7D25 Y29 L30D25-A27 PolarHBondContact O-N 3.42Å; D25-A27 VanDerWaalsContact O-N 3.09Å; D25-A27 PolarHBondContact OD1-N 3.23Å; A27-Y29 HydrophobicContact CB-CE1 4.48Å; A27-Y29 HydrophobicContact CB-CE2 4.24Å; A27-Y29 PolarHBondContact O-N 3.34Å; A27-L30 HydrophobicContact CB-CD1 3.62Å; A27-L30 HydrophobicContact CB-CG 3.87Å; A27-L30 PolarHBondContact O-N 2.92Å
28P93.6Very high69.6Low23 Ų2375.5 Ų75.515%0.14939%0.393CS..THydrogen-bonded Turntrans-69.2-7.3-159.930.1-37.9000113.3P26 K114 V115 Q116P26-P28 VanDerWaalsContact O-N 3.13Å; P28-K114 WeakPolarHBondContact CA-O 3.29Å; P28-K114 VanDerWaalsContact CB-C 3.45Å; P28-V115 CarbonylContact O-C 3.53Å; P28-V115 VanDerWaalsContact O-CA 3.25Å; P28-V115 WeakPolarHBondContact O-CA 3.22Å; P28-Q116 CarbonylContact C-O 3.52Å; P28-Q116 HydrophobicContact CB-CB 3.96Å; P28-Q116 HydrophobicContact CB-CG 4.14Å; P28-Q116 HydrophobicContact CG-CB 3.9Å; P28-Q116 HydrophobicContact CG-CG 4.22Å; P28-Q116 PolarHBondContact O-N 3.22Å
29Y95Very high71.7Confident18 Ų1871 Ų717%0.07137%0.371CS..THydrogen-bonded Turntrans-90.5-15.2177.249.4-100.7000113.5A27 V43 L44 Q116 L118 S134 I197A27-Y29 HydrophobicContact CB-CE1 4.48Å; A27-Y29 HydrophobicContact CB-CE2 4.24Å; A27-Y29 PolarHBondContact O-N 3.34Å; Y29-V43 HydrophobicContact CD2-CG1 4.15Å; Y29-V43 HydrophobicContact CG-CG1 4.4Å; Y29-V43 CarbonylContact O-C 3.6Å; Y29-V43 WeakPolarHBondContact O-CA 3.38Å; Y29-L44 PolarHBondContact O-N 3.43Å; Y29-Q116 WeakPolarHBondContact CA-O 3.41Å; Y29-Q116 WeakPolarHBondContact CB-O 3.46Å; Y29-Q116 PolarHBondContact N-O 3.37Å; Y29-L118 HydrophobicContact CD1-CB 4.16Å; Y29-L118 HydrophobicContact CD1-CD1 4.06Å; Y29-L118 HydrophobicContact CD1-CD2 4.3Å; Y29-L118 HydrophobicContact CD1-CG 4.42Å; Y29-L118 HydrophobicContact CD2-CD2 4.17Å; Y29-L118 HydrophobicContact CE1-CD1 4.39Å; Y29-L118 HydrophobicContact CE2-CD2 4.49Å; Y29-L118 HydrophobicContact CG-CB 3.88Å; Y29-L118 HydrophobicContact CG-CD2 4.1Å; Y29-L118 HydrophobicContact CG-CG 4.41Å; Y29-S134 VanDerWaalsContact OH-CB 3.25Å; Y29-S134 WeakPolarHBondContact OH-CB 3.47Å; Y29-S134 PolarHBondContact OH-OG 2.9Å; Y29-I197 HydrophobicContact CD2-CD1 4.45Å; Y29-I197 HydrophobicContact CE1-CD1 3.87Å; Y29-I197 HydrophobicContact CE2-CD1 3.57Å; Y29-I197 WeakPolarHBondContact OH-CD1 3.3Å
30L94Very high73.9Confident1 Ų166.4 Ų66.41%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-67.5138.8-178.5-68.4-179.4000110.6A27 V41 F68 G135 L136 R150 A194A27-L30 HydrophobicContact CB-CD1 3.62Å; A27-L30 HydrophobicContact CB-CG 3.87Å; A27-L30 PolarHBondContact O-N 2.92Å; L30-V41 HydrophobicContact CD2-CG1 3.96Å; L30-F68 HydrophobicContact CB-CE2 4.28Å; L30-F68 WeakPolarHBondContact O-CZ 3.22Å; L30-G135 WeakPolarHBondContact CD1-O 3.32Å; L30-L136 HydrophobicContact CD1-CD2 3.87Å; L30-L136 HydrophobicContact CD1-CG 4.17Å; L30-R150 HydrophobicContact CD1-CG 4.46Å; L30-A194 HydrophobicContact CD2-CB 4.41Å
31V94Very high76.3Confident0 Ų063.4 Ų63.40%032%0.317CS..EExtended strand (participates in β ladder)trans-127122.3-179.2176.70000108.4L33 V41 G42 L44 V50 V63 L65V31-L33 HydrophobicContact CG1-CD2 3.92Å; V31-V41 CarbonylContact O-C 3.6Å; V31-V41 VanDerWaalsContact O-CA 3.3Å; V31-V41 WeakPolarHBondContact O-CA 3.33Å; V31-G42 PolarHBondContact N-O 2.92Å; V31-G42 PolarHBondContact O-N 3.06Å; V31-L44 HydrophobicContact CG2-CB 4.04Å; V31-V50 HydrophobicContact CB-CG1 4.11Å; V31-V50 HydrophobicContact CG1-CG1 4.02Å; V31-V50 HydrophobicContact CG1-CG2 4.2Å; V31-V50 HydrophobicContact CG2-CG1 4.15Å; V31-V50 HydrophobicContact CG2-CG2 3.96Å; V31-V63 HydrophobicContact CG1-CB 4.48Å; V31-V63 HydrophobicContact CG1-CG1 3.28Å; V31-L65 HydrophobicContact CG1-CG 4.46Å; V31-L65 HydrophobicContact CG2-CD2 3.72Å; V31-L65 HydrophobicContact CG2-CG 4.05Å
32Y92Very high78.7Confident14 Ų1456.2 Ų56.26%0.05527%0.274CS..EExtended strand (participates in β ladder)trans-84.9119.1173.1177-123000109.9K34 P39 M64 L136 H146 P147Y32-K34 HydrophobicContact CD1-CB 4.02Å; Y32-K34 HydrophobicContact CE1-CB 3.54Å; Y32-K34 HydrophobicContact CE1-CD 4.26Å; Y32-K34 HydrophobicContact CE1-CG 3.86Å; Y32-K34 PolarHBondContact O-N 3.09Å; Y32-P39 HydrophobicContact CE2-CB 3.5Å; Y32-P39 WeakPolarHBondContact OH-CB 3.47Å; Y32-M64 HydrophobicContact CD1-CB 4.2Å; Y32-M64 HydrophobicContact CD1-CG 4.37Å; Y32-M64 HydrophobicContact CD1-SD 3.74Å; Y32-M64 HydrophobicContact CE1-SD 4.12Å; Y32-M64 PolarHBondContact N-O 2.76Å; Y32-M64 PolarHBondContact O-N 2.71Å; Y32-L136 HydrophobicContact CD2-CD1 4.32Å; Y32-L136 HydrophobicContact CG-CD1 4.5Å; Y32-H146 HydrophobicContact CE1-CB 4.19Å; Y32-P147 HydrophobicContact CD2-CG 3.56Å; Y32-P147 HydrophobicContact CE2-CG 3.33Å; Y32-P147 HydrophobicContact CG-CG 4.32Å; Y32-P147 VanDerWaalsContact CZ-CD 3.47Å
33L91.2Very high81.2Confident0 Ų052.1 Ų52.10%026%0.255CS..EExtended strand (participates in β ladder)trans-95.592.6176.4-60.5-178.9000108.3V31 S35 C40 A52 C56 L61 V63 I103V31-L33 HydrophobicContact CG1-CD2 3.92Å; L33-S35 PolarHBondContact O-N 3.38Å; L33-C40 HydrophobicContact CB-CB 3.94Å; L33-C40 WeakPolarHBondContact CB-O 3.37Å; L33-C40 HydrophobicContact CD1-CB 4.1Å; L33-C40 PolarHBondContact N-O 3.19Å; L33-C40 PolarHBondContact O-N 2.79Å; L33-C40 VanDerWaalsContact O-N 3.08Å; L33-A52 HydrophobicContact CD1-CB 3.62Å; L33-C56 HydrophobicContact CD1-CB 4.35Å; L33-L61 HydrophobicContact CB-CD2 4.09Å; L33-V63 HydrophobicContact CD2-CG2 4.21Å; L33-I103 HydrophobicContact CD1-CD1 3.99Å; L33-I103 HydrophobicContact CD2-CD1 3.68Å
34K88Confident83.9Confident99 Ų9942.5 Ų42.543%0.4321%0.213SC..EExtended strand (participates in β ladder)trans-79.1123.5-178.2-173.9-179.8178.5179.60110.1Y32 L61 K62 M64Y32-K34 HydrophobicContact CD1-CB 4.02Å; Y32-K34 HydrophobicContact CE1-CB 3.54Å; Y32-K34 HydrophobicContact CE1-CD 4.26Å; Y32-K34 HydrophobicContact CE1-CG 3.86Å; Y32-K34 PolarHBondContact O-N 3.09Å; K34-L61 WeakPolarHBondContact O-CA 3.46Å; K34-K62 HydrophobicContact CB-CB 4.25Å; K34-K62 PolarHBondContact N-O 3.09Å; K34-K62 PolarHBondContact O-N 2.74Å; K34-M64 HydrophobicContact CB-SD 4.2Å; K34-M64 HydrophobicContact CD-SD 3.97Å
35S83.9Confident85.9Confident13 Ų1336.9 Ų36.99%0.09119%0.187CC..  trans-135.2159.9166-173.90000110L33 F37 L58 P59L33-S35 PolarHBondContact O-N 3.38Å; S35-F37 VanDerWaalsContact C-N 3.27Å; S35-L58 WeakPolarHBondContact OG-CB 3.4Å; S35-P59 PolarHBondContact OG-O 3.15Å; S35-P59 VanDerWaalsContact OG-O 3.08Å
36H73.7Confident87.6Confident164 Ų16436.3 Ų36.376%0.75918%0.182SC*.SBendtrans-72.8-19.9175.1-72.7-81000113.3
37F68.6Low89Confident144 Ų14436 Ų3663%0.63218%0.18SC*.SBendtrans-89.8-73.9-178.2-68.4-84.7000110.9S35 L58 P59S35-F37 VanDerWaalsContact C-N 3.27Å; F37-L58 HydrophobicContact CB-CD2 4.47Å; F37-P59 HydrophobicContact CD2-CG 3.7Å; F37-P59 HydrophobicContact CE2-CG 3.47Å; F37-P59 VanDerWaalsContact CE2-CG 3.47Å
38N74.9Confident89.5Confident111 Ų11136.9 Ų36.959%0.59419%0.186SC*.  trans-130.3120.6179.5-75-25.1000110L58N38-L58 HydrophobicContact CB-CD1 4.07Å; N38-L58 WeakPolarHBondContact O-CD1 3.08Å
39P77.1Confident89.7Confident48 Ų4836.1 Ų36.131%0.31218%0.18SC..  trans-66145.1169.123-27.5000111Y32 W138Y32-P39 HydrophobicContact CE2-CB 3.5Å; Y32-P39 WeakPolarHBondContact OH-CB 3.47Å; P39-W138 HydrophobicContact CB-CZ2 4.46Å; P39-W138 HydrophobicContact CG-CH2 4.32Å; P39-W138 HydrophobicContact CG-CZ2 3.78Å
40C86.1Confident89.8Confident13 Ų1335.2 Ų35.29%0.08818%0.177CC..EExtended strand (participates in β ladder)trans-131.3171.6174.6-83.30000111.1L33 C56L33-C40 HydrophobicContact CB-CB 3.94Å; L33-C40 WeakPolarHBondContact CB-O 3.37Å; L33-C40 HydrophobicContact CD1-CB 4.1Å; L33-C40 PolarHBondContact N-O 3.19Å; L33-C40 PolarHBondContact O-N 2.79Å; L33-C40 VanDerWaalsContact O-N 3.08Å; C40-C56 HydrophobicContact CB-CB 3.5Å; C40-C56 VanDerWaalsContact CB-CB 3.5Å; C40-C56 WeakPolarHBondContact CB-SG 3.44Å; C40-C56 WeakPolarHBondContact SG-CB 3.16Å; C40-C56 CovalentContact SG-SG 2.03Å; C40-C56 PolarHBondContact SG-SG 2.96Å
41V89.1Confident90Very high9 Ų935.2 Ų35.26%0.05518%0.177CC..EExtended strand (participates in β ladder)trans-124139.2172.6-176.30000109.4L30 V31 L136 A192 A194L30-V41 HydrophobicContact CD2-CG1 3.96Å; V31-V41 CarbonylContact O-C 3.6Å; V31-V41 VanDerWaalsContact O-CA 3.3Å; V31-V41 WeakPolarHBondContact O-CA 3.33Å; V41-L136 HydrophobicContact CG1-CD1 4.48Å; V41-L136 HydrophobicContact CG1-CG 4.44Å; V41-L136 HydrophobicContact CG2-CB 3.92Å; V41-L136 HydrophobicContact CG2-CD1 3.98Å; V41-L136 HydrophobicContact CG2-CG 4.06Å; V41-A192 HydrophobicContact CB-CB 4.22Å; V41-A192 HydrophobicContact CG2-CB 3.47Å; V41-A192 VanDerWaalsContact CG2-CB 3.47Å; V41-A194 HydrophobicContact CB-CB 3.45Å; V41-A194 VanDerWaalsContact CB-CB 3.45Å; V41-A194 HydrophobicContact CG1-CB 3.24Å; V41-A194 HydrophobicContact CG2-CB 4.43Å
42G93.3Very high90Very high1 Ų135.2 Ų35.21%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-126.8-172.5172.200000111.2V31 L51V31-G42 PolarHBondContact N-O 2.92Å; V31-G42 PolarHBondContact O-N 3.06Å; G42-L51 CarbonylContact C-O 3.55Å; G42-L51 VanDerWaalsContact CA-O 3.3Å; G42-L51 WeakPolarHBondContact CA-O 3.33Å
43V96.3Very high89.9Confident1 Ų134.8 Ų34.81%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-131.2126.8-175.6-162.80000109.6Y29 I45 V50 L51 L118 T195 L202 I205Y29-V43 HydrophobicContact CD2-CG1 4.15Å; Y29-V43 HydrophobicContact CG-CG1 4.4Å; Y29-V43 CarbonylContact O-C 3.6Å; Y29-V43 WeakPolarHBondContact O-CA 3.38Å; V43-I45 HydrophobicContact CB-CG2 4.39Å; V43-I45 HydrophobicContact CG1-CG2 4.45Å; V43-I45 PolarHBondContact O-N 3.45Å; V43-V50 CarbonylContact O-C 3.55Å; V43-V50 VanDerWaalsContact O-CA 3.23Å; V43-V50 WeakPolarHBondContact O-CA 3.31Å; V43-L51 PolarHBondContact N-O 2.96Å; V43-L51 PolarHBondContact O-N 2.8Å; V43-L118 HydrophobicContact CG1-CB 3.89Å; V43-L118 HydrophobicContact CG1-CD2 4.09Å; V43-T195 HydrophobicContact CB-CG2 4.46Å; V43-T195 HydrophobicContact CG2-CG2 3.1Å; V43-L202 HydrophobicContact CB-CD2 4.12Å; V43-L202 HydrophobicContact CG1-CD2 4.07Å; V43-L202 HydrophobicContact CG2-CD1 4.12Å; V43-L202 HydrophobicContact CG2-CD2 4.09Å; V43-I205 HydrophobicContact CG2-CD1 4.21Å; V43-I205 HydrophobicContact CG2-CG1 4.34Å
44L97.7Very high89.9Confident0 Ų034.9 Ų34.90%018%0.177CC..EExtended strand (participates in β ladder)trans-67.9117.6167-169.868.8000108.2Y29 V31 K46 V50 L65 L105 A109 L111 V115 P117 L118Y29-L44 PolarHBondContact O-N 3.43Å; V31-L44 HydrophobicContact CG2-CB 4.04Å; L44-K46 WeakPolarHBondContact CD1-O 3.46Å; L44-V50 HydrophobicContact CD1-CG2 4.02Å; L44-L65 HydrophobicContact CB-CD2 4.25Å; L44-L65 HydrophobicContact CD1-CD2 3.99Å; L44-L65 HydrophobicContact CD2-CD2 3.94Å; L44-L65 HydrophobicContact CG-CD2 4.3Å; L44-L105 HydrophobicContact CD1-CD1 4.27Å; L44-A109 HydrophobicContact CD1-CB 4.46Å; L44-A109 HydrophobicContact CD2-CB 4.27Å; L44-L111 HydrophobicContact CD2-CD2 4.26Å; L44-V115 HydrophobicContact CD2-CG1 3.89Å; L44-P117 HydrophobicContact CG-CB 4.41Å; L44-P117 CarbonylContact O-C 3.58Å; L44-P117 WeakPolarHBondContact O-CA 3.46Å; L44-L118 PolarHBondContact O-N 2.98Å
45I97.8Very high89.8Confident14 Ų1433.5 Ų33.57%0.07217%0.172CC..EExtended strand (participates in β ladder)trans-108.5-23.7179.260.9161.9000112.1V43 W49 L51 L102 L120 L202 I228 A232V43-I45 HydrophobicContact CB-CG2 4.39Å; V43-I45 HydrophobicContact CG1-CG2 4.45Å; V43-I45 PolarHBondContact O-N 3.45Å; I45-W49 HydrophobicContact CD1-CB 4.43Å; I45-W49 HydrophobicContact CG1-CB 4.05Å; I45-W49 WeakPolarHBondContact CG1-O 3.47Å; I45-W49 PolarHBondContact N-O 2.96Å; I45-L51 HydrophobicContact CD1-CB 4.19Å; I45-L51 HydrophobicContact CG1-CB 4.4Å; I45-L51 HydrophobicContact CG2-CB 3.67Å; I45-L51 HydrophobicContact CG2-CD2 4.4Å; I45-L102 HydrophobicContact CD1-CD2 3.56Å; I45-L120 HydrophobicContact CB-CD2 4.3Å; I45-L120 HydrophobicContact CG2-CD2 3.88Å; I45-L202 HydrophobicContact CG2-CD2 4.13Å; I45-I228 HydrophobicContact CD1-CG2 3.47Å; I45-I228 VanDerWaalsContact CD1-CG2 3.47Å; I45-A232 HydrophobicContact CD1-CB 4.47Å
46K97.8Very high89.9Confident38 Ų3833 Ų3317%0.16517%0.168CC..EExtended strand (participates in β ladder)trans-146.9161.9170.9-56.2-173.8180-1750108.3L44 S48 W49 E229 A232L44-K46 WeakPolarHBondContact CD1-O 3.46Å; K46-S48 PolarHBondContact O-N 2.98Å; K46-W49 HydrophobicContact CB-CB 4.08Å; K46-W49 PolarHBondContact N-O 2.76Å; K46-W49 PolarHBondContact O-N 3.16Å; K46-W49 VanDerWaalsContact O-O 3.05Å; K46-E229 WeakPolarHBondContact CE-OE2 3.47Å; K46-E229 IonicContact NZ-OE2 2.63Å; K46-E229 PolarHBondContact NZ-OE2 3.23Å; K46-A232 HydrophobicContact CD-CB 4.38Å; K46-A232 WeakPolarHBondContact CD-O 3.44Å; K46-A232 WeakPolarHBondContact CE-O 3.43Å; K46-A232 PolarHBondContact NZ-O 3.16Å
47P97.7Very high90.5Very high44 Ų4431 Ų3129%0.28615%0.154SC..THydrogen-bonded Turntrans-51.4-33.2-178.6-29.336.6000114.4P108 A109 L111P47-P108 HydrophobicContact CB-CB 4Å; P47-P108 CarbonylContact O-C 3.57Å; P47-P108 WeakPolarHBondContact O-CA 3.37Å; P47-A109 PolarHBondContact O-N 3.38Å; P47-L111 HydrophobicContact CG-CD1 4.38Å
48S97.9Very high91Very high19 Ų1925.7 Ų25.713%0.13313%0.133CC..THydrogen-bonded Turntrans-107.15.3-179.2-57.80000114.4K46 K104 L105 P108K46-S48 PolarHBondContact O-N 2.98Å; S48-K104 WeakPolarHBondContact O-CA 3.32Å; S48-L105 PolarHBondContact O-N 3.5Å; S48-P108 WeakPolarHBondContact OG-CG 3.39Å
49W98.3Very high91.3Very high7 Ų723.7 Ų23.73%0.02713%0.126CC..EExtended strand (participates in β ladder)trans-135.7127.7-170.9-66.896.9000112.8I45 K46 L102 I103 K104 A232 K233I45-W49 HydrophobicContact CD1-CB 4.43Å; I45-W49 HydrophobicContact CG1-CB 4.05Å; I45-W49 WeakPolarHBondContact CG1-O 3.47Å; I45-W49 PolarHBondContact N-O 2.96Å; K46-W49 HydrophobicContact CB-CB 4.08Å; K46-W49 PolarHBondContact N-O 2.76Å; K46-W49 PolarHBondContact O-N 3.16Å; K46-W49 VanDerWaalsContact O-O 3.05Å; W49-L102 HydrophobicContact CE3-CB 4.03Å; W49-L102 HydrophobicContact CZ3-CB 4.01Å; W49-I103 WeakPolarHBondContact CA-O 3.17Å; W49-K104 HydrophobicContact CD2-CB 4.37Å; W49-K104 HydrophobicContact CD2-CG 4.32Å; W49-K104 HydrophobicContact CE3-CB 3.98Å; W49-K104 HydrophobicContact CE3-CG 4.42Å; W49-K104 HydrophobicContact CH2-CB 3.81Å; W49-K104 HydrophobicContact CH2-CD 3.93Å; W49-K104 HydrophobicContact CH2-CG 4.01Å; W49-K104 HydrophobicContact CZ2-CB 4.17Å; W49-K104 HydrophobicContact CZ2-CD 3.71Å; W49-K104 HydrophobicContact CZ2-CG 3.86Å; W49-K104 HydrophobicContact CZ3-CB 3.7Å; W49-K104 HydrophobicContact CZ3-CG 4.28Å; W49-A232 HydrophobicContact CB-CB 4.17Å; W49-A232 HydrophobicContact CD2-CB 3.66Å; W49-A232 HydrophobicContact CE3-CB 4.07Å; W49-A232 HydrophobicContact CG-CB 3.69Å; W49-K233 PolarHBondContact NE1-O 3Å
50V97.4Very high91.7Very high0 Ų027.5 Ų27.50%014%0.143CC..EExtended strand (participates in β ladder)trans-112133173.7174.20000109.2V31 V43 L44 V63 L102 I103 L105V31-V50 HydrophobicContact CB-CG1 4.11Å; V31-V50 HydrophobicContact CG1-CG1 4.02Å; V31-V50 HydrophobicContact CG1-CG2 4.2Å; V31-V50 HydrophobicContact CG2-CG1 4.15Å; V31-V50 HydrophobicContact CG2-CG2 3.96Å; V43-V50 CarbonylContact O-C 3.55Å; V43-V50 VanDerWaalsContact O-CA 3.23Å; V43-V50 WeakPolarHBondContact O-CA 3.31Å; L44-V50 HydrophobicContact CD1-CG2 4.02Å; V50-V63 HydrophobicContact CG2-CG1 4.13Å; V50-L102 CarbonylContact O-C 3.57Å; V50-L102 WeakPolarHBondContact O-CA 3.45Å; V50-I103 HydrophobicContact CB-CB 4.22Å; V50-I103 HydrophobicContact CG1-CD1 4.38Å; V50-I103 PolarHBondContact N-O 2.86Å; V50-I103 PolarHBondContact O-N 3.32Å; V50-L105 HydrophobicContact CG2-CD1 4.31Å; V50-L105 HydrophobicContact CG2-CD2 3.98Å; V50-L105 HydrophobicContact CG2-CG 4.39Å
51L96.8Very high91.9Very high0 Ų027.3 Ų27.30%014%0.142CC..EExtended strand (participates in β ladder)trans-95.8134.4169.2-168.466.1000108.9G42 V43 I45 L100 L102 L120 L202 I205 V221 I228G42-L51 CarbonylContact C-O 3.55Å; G42-L51 VanDerWaalsContact CA-O 3.3Å; G42-L51 WeakPolarHBondContact CA-O 3.33Å; V43-L51 PolarHBondContact N-O 2.96Å; V43-L51 PolarHBondContact O-N 2.8Å; I45-L51 HydrophobicContact CD1-CB 4.19Å; I45-L51 HydrophobicContact CG1-CB 4.4Å; I45-L51 HydrophobicContact CG2-CB 3.67Å; I45-L51 HydrophobicContact CG2-CD2 4.4Å; L51-L100 HydrophobicContact CD1-CD1 4.41Å; L51-L102 HydrophobicContact CB-CD2 4.36Å; L51-L102 HydrophobicContact CD1-CD2 3.65Å; L51-L102 HydrophobicContact CD1-CG 4.11Å; L51-L120 HydrophobicContact CD2-CD2 4.37Å; L51-L202 HydrophobicContact CD2-CD2 3.84Å; L51-I205 HydrophobicContact CB-CD1 3.9Å; L51-I205 HydrophobicContact CD2-CD1 3.34Å; L51-I205 HydrophobicContact CG-CD1 3.3Å; L51-V221 HydrophobicContact CD2-CG1 4.29Å; L51-V221 HydrophobicContact CD2-CG2 4.33Å; L51-I228 HydrophobicContact CD1-CD1 4.09Å; L51-I228 HydrophobicContact CD1-CG1 4.13Å; L51-I228 HydrophobicContact CD2-CD1 3.77Å
52A93.9Very high92Very high0 Ų031 Ų310%016%0.157CC..EExtended strand (participates in β ladder)trans-149.3164.3-17700000110.9L33 L100 M101 I103L33-A52 HydrophobicContact CD1-CB 3.62Å; A52-L100 CarbonylContact O-C 3.5Å; A52-L100 WeakPolarHBondContact O-CA 3.38Å; A52-M101 HydrophobicContact CB-CE 3.95Å; A52-M101 HydrophobicContact CB-CG 4.21Å; A52-M101 PolarHBondContact N-O 2.78Å; A52-M101 PolarHBondContact O-N 2.86Å; A52-I103 HydrophobicContact CB-CD1 4.23Å
53P90.7Very high92.1Very high5 Ų531 Ų313%0.03216%0.157CC..  trans-60.9142.6168.2-15.627000111.3H55 C56 M101 I205 E206P53-H55 VanDerWaalsContact C-N 3.33Å; P53-H55 WeakPolarHBondContact CB-CE1 3.47Å; P53-H55 VanDerWaalsContact CB-ND1 3.31Å; P53-H55 WeakPolarHBondContact CB-ND1 3.48Å; P53-C56 WeakPolarHBondContact O-CB 3.38Å; P53-C56 PolarHBondContact O-N 3.01Å; P53-M101 WeakPolarHBondContact O-CE 3.27Å; P53-M101 WeakPolarHBondContact O-CG 3.45Å; P53-I205 HydrophobicContact CB-CG2 4.39Å; P53-I205 HydrophobicContact CG-CG2 3.59Å; P53-E206 WeakPolarHBondContact CG-O 3.29Å
54A90.4Very high92Very high2 Ų233.4 Ų33.42%0.01717%0.168CC..G310 helixtrans-68.9-31.217800000112.7C56 Y57 Y91 D99 M101A54-C56 PolarHBondContact O-N 2.84Å; A54-C56 VanDerWaalsContact O-N 3.14Å; A54-Y57 VanDerWaalsContact O-CB 3.3Å; A54-Y57 WeakPolarHBondContact O-CB 3.25Å; A54-Y57 PolarHBondContact O-N 2.93Å; A54-Y91 HydrophobicContact CB-CD1 4.24Å; A54-Y91 HydrophobicContact CB-CD2 3.89Å; A54-Y91 HydrophobicContact CB-CE2 4.25Å; A54-Y91 HydrophobicContact CB-CG 3.86Å; A54-D99 WeakPolarHBondContact CA-OD1 3.47Å; A54-D99 WeakPolarHBondContact CB-OD1 3.22Å; A54-D99 PolarHBondContact N-OD1 2.78Å; A54-M101 HydrophobicContact CB-CB 4.37Å
55H86.2Confident91.9Very high71 Ų7133.5 Ų33.533%0.32917%0.169SC..G310 helixtrans-63.1-1617575.9-98000113P53 Y57 D99 G208P53-H55 VanDerWaalsContact C-N 3.33Å; P53-H55 WeakPolarHBondContact CB-CE1 3.47Å; P53-H55 VanDerWaalsContact CB-ND1 3.31Å; P53-H55 WeakPolarHBondContact CB-ND1 3.48Å; H55-Y57 PolarHBondContact O-N 2.85Å; H55-D99 IonicContact CE1-OD2 2.66Å; H55-D99 PolarHBondContact CE1-OD2 3.26Å; H55-D99 IonicContact CG-OD1 2.64Å; H55-D99 IonicContact CG-OD2 3.39Å; H55-D99 PolarHBondContact N-OD1 3.12Å; H55-D99 IonicContact ND1-OD1 3.99Å; H55-D99 PolarHBondContact ND1-OD1 2.85Å; H55-D99 IonicContact ND1-OD2 3.74Å; H55-D99 PolarHBondContact ND1-OD2 3.09Å; H55-G208 PolarHBondContact CE1-N 2.64Å; H55-G208 VanDerWaalsContact CE1-N 3.35Å
56C86.8Confident91.7Very high1 Ų132.9 Ų32.91%0.00717%0.166CC..G310 helixtrans-819.1173.4-63.50000113.7L33 C40 P53 A54 L58 M101L33-C56 HydrophobicContact CD1-CB 4.35Å; C40-C56 HydrophobicContact CB-CB 3.5Å; C40-C56 VanDerWaalsContact CB-CB 3.5Å; C40-C56 WeakPolarHBondContact CB-SG 3.44Å; C40-C56 WeakPolarHBondContact SG-CB 3.16Å; C40-C56 CovalentContact SG-SG 2.03Å; C40-C56 PolarHBondContact SG-SG 2.96Å; P53-C56 WeakPolarHBondContact O-CB 3.38Å; P53-C56 PolarHBondContact O-N 3.01Å; A54-C56 PolarHBondContact O-N 2.84Å; A54-C56 VanDerWaalsContact O-N 3.14Å; C56-L58 PolarHBondContact O-N 2.99Å; C56-M101 HydrophobicContact CB-CE 3.94Å
57Y86.9Confident91.3Very high122 Ų12231.5 Ų31.548%0.47816%0.16SC..  trans-70.992.1172.6-179.6-112.6000111.1A54 H55 I85A54-Y57 VanDerWaalsContact O-CB 3.3Å; A54-Y57 WeakPolarHBondContact O-CB 3.25Å; A54-Y57 PolarHBondContact O-N 2.93Å; H55-Y57 PolarHBondContact O-N 2.85Å; Y57-I85 HydrophobicContact CD2-CB 4.42Å; Y57-I85 HydrophobicContact CD2-CD1 3.91Å; Y57-I85 HydrophobicContact CD2-CG2 3.91Å; Y57-I85 HydrophobicContact CE2-CB 4.31Å; Y57-I85 HydrophobicContact CE2-CD1 3.91Å; Y57-I85 HydrophobicContact CE2-CG2 4.26Å
58L78.3Confident90.8Very high34 Ų3430 Ų3018%0.17815%0.149CC..  trans-120.4156-174.4-62.8171.9000111.7S35 F37 N38 C56 L61S35-L58 WeakPolarHBondContact OG-CB 3.4Å; F37-L58 HydrophobicContact CB-CD2 4.47Å; N38-L58 HydrophobicContact CB-CD1 4.07Å; N38-L58 WeakPolarHBondContact O-CD1 3.08Å; C56-L58 PolarHBondContact O-N 2.99Å; L58-L61 HydrophobicContact CB-CD2 4.23Å; L58-L61 HydrophobicContact CB-CG 4.22Å; L58-L61 WeakPolarHBondContact O-CD1 3.48Å; L58-L61 VanDerWaalsContact O-CG 3.26Å; L58-L61 WeakPolarHBondContact O-CG 3.49Å
59P81.4Confident90.1Very high69 Ų6932.7 Ų32.745%0.44816%0.159SC..THydrogen-bonded Turntrans-66.8150.6174.228.3-35.2000111.3S35 F37 L61S35-P59 PolarHBondContact OG-O 3.15Å; S35-P59 VanDerWaalsContact OG-O 3.08Å; F37-P59 HydrophobicContact CD2-CG 3.7Å; F37-P59 HydrophobicContact CE2-CG 3.47Å; F37-P59 VanDerWaalsContact CE2-CG 3.47Å; P59-L61 PolarHBondContact O-N 3.17Å
60N85.8Confident88.9Confident127 Ų12734.3 Ų34.368%0.67917%0.171SC*.THydrogen-bonded Turntrans56.631.2174.2-59-42.7000115.1K62N60-K62 PolarHBondContact O-N 3.09Å
61L88.8Confident88Confident10 Ų1044.2 Ų44.25%0.05221%0.208CC..  trans-55.6131.2177.4-80.1167.1000112.1L33 K34 L58 P59 P82 I85L33-L61 HydrophobicContact CB-CD2 4.09Å; K34-L61 WeakPolarHBondContact O-CA 3.46Å; L58-L61 HydrophobicContact CB-CD2 4.23Å; L58-L61 HydrophobicContact CB-CG 4.22Å; L58-L61 WeakPolarHBondContact O-CD1 3.48Å; L58-L61 VanDerWaalsContact O-CG 3.26Å; L58-L61 WeakPolarHBondContact O-CG 3.49Å; P59-L61 PolarHBondContact O-N 3.17Å; L61-P82 HydrophobicContact CB-CG 4.38Å; L61-P82 VanDerWaalsContact O-CD 3.27Å; L61-P82 WeakPolarHBondContact O-CD 3.45Å; L61-I85 HydrophobicContact CD1-CD1 4.01Å
62K92.4Very high87.3Confident87 Ų8747.4 Ų47.438%0.37823%0.227SC..EExtended strand (participates in β ladder)trans-112.9133.9165.2-59.5-65-174.7-176.30109.2K34 N60 T79 N81K34-K62 HydrophobicContact CB-CB 4.25Å; K34-K62 PolarHBondContact N-O 3.09Å; K34-K62 PolarHBondContact O-N 2.74Å; N60-K62 PolarHBondContact O-N 3.09Å; K62-T79 HydrophobicContact CB-CG2 4.34Å; K62-N81 VanDerWaalsContact CD-OD1 3.22Å; K62-N81 WeakPolarHBondContact CD-OD1 3.44Å; K62-N81 PolarHBondContact NZ-OD1 3.22Å
63V94.9Very high87Confident0 Ų056.7 Ų56.70%026%0.262CS..EExtended strand (participates in β ladder)trans-94.6116.6176.3-174.40000108.1V31 L33 V50 L65 T79 I80 I103 L105V31-V63 HydrophobicContact CG1-CB 4.48Å; V31-V63 HydrophobicContact CG1-CG1 3.28Å; L33-V63 HydrophobicContact CD2-CG2 4.21Å; V50-V63 HydrophobicContact CG2-CG1 4.13Å; V63-L65 HydrophobicContact CG1-CD1 3.88Å; V63-T79 CarbonylContact O-C 3.58Å; V63-T79 WeakPolarHBondContact O-CA 3.36Å; V63-I80 WeakPolarHBondContact CB-O 3.3Å; V63-I80 PolarHBondContact N-O 3Å; V63-I80 VanDerWaalsContact N-O 3.12Å; V63-I80 PolarHBondContact O-N 3.3Å; V63-I103 HydrophobicContact CG2-CG2 4.23Å; V63-L105 HydrophobicContact CB-CD2 4.02Å; V63-L105 HydrophobicContact CG1-CD2 3.75Å; V63-L105 HydrophobicContact CG2-CD2 3.82Å
64M94.6Very high87Confident51 Ų5159.3 Ų59.325%0.25128%0.276SS..EExtended strand (participates in β ladder)trans-115.5133-179.9-62.1-179.772.600110.5Y32 K34 F68 Q78 T79Y32-M64 HydrophobicContact CD1-CB 4.2Å; Y32-M64 HydrophobicContact CD1-CG 4.37Å; Y32-M64 HydrophobicContact CD1-SD 3.74Å; Y32-M64 HydrophobicContact CE1-SD 4.12Å; Y32-M64 PolarHBondContact N-O 2.76Å; Y32-M64 PolarHBondContact O-N 2.71Å; K34-M64 HydrophobicContact CB-SD 4.2Å; K34-M64 HydrophobicContact CD-SD 3.97Å; M64-F68 HydrophobicContact CB-CE1 4.41Å; M64-F68 WeakPolarHBondContact O-CE1 3.49Å; M64-Q78 CarbonylContact C-O 3.59Å; M64-Q78 VanDerWaalsContact CA-O 3.3Å; M64-Q78 WeakPolarHBondContact CA-O 3.35Å; M64-T79 HydrophobicContact CG-CG2 4.33Å
65L94.9Very high87.1Confident3 Ų362.4 Ų62.42%0.01631%0.308CS..EExtended strand (participates in β ladder)trans-133.6165.7-179.1-51.596000111.1V31 L44 V63 Q78 I80 A109 V115V31-L65 HydrophobicContact CG1-CG 4.46Å; V31-L65 HydrophobicContact CG2-CD2 3.72Å; V31-L65 HydrophobicContact CG2-CG 4.05Å; L44-L65 HydrophobicContact CB-CD2 4.25Å; L44-L65 HydrophobicContact CD1-CD2 3.99Å; L44-L65 HydrophobicContact CD2-CD2 3.94Å; L44-L65 HydrophobicContact CG-CD2 4.3Å; V63-L65 HydrophobicContact CG1-CD1 3.88Å; L65-Q78 HydrophobicContact CB-CB 4.44Å; L65-Q78 HydrophobicContact CD1-CB 4.43Å; L65-Q78 PolarHBondContact N-O 2.95Å; L65-Q78 PolarHBondContact O-N 2.72Å; L65-I80 HydrophobicContact CD1-CD1 4.26Å; L65-A109 HydrophobicContact CD2-CB 4.34Å; L65-V115 HydrophobicContact CB-CG1 4.29Å; L65-V115 HydrophobicContact CB-CG2 4.06Å; L65-V115 HydrophobicContact CD2-CG1 4.01Å
66G94.1Very high87.5Confident0 Ų059.9 Ų59.90%030%0.298CS..SBendtrans89.7-134.9174.700000111.8K114 V115 R150G66-K114 WeakPolarHBondContact CA-O 3.33Å; G66-V115 VanDerWaalsContact CA-CG2 3.46Å; G66-R150 PolarHBondContact O-NH2 3.15Å
67N89.8Confident87.8Confident10 Ų1062 Ų625%0.05331%0.307CS..  trans-72.3133176.7175.643000112.2K69 V72 D74 T76 E77 K114N67-K69 WeakPolarHBondContact OD1-CB 3.47Å; N67-K69 PolarHBondContact OD1-N 3.14Å; N67-V72 PolarHBondContact ND2-O 2.84Å; N67-D74 WeakPolarHBondContact CB-OD1 3.48Å; N67-D74 WeakPolarHBondContact CB-OD2 3.22Å; N67-T76 WeakPolarHBondContact CB-OG1 3.4Å; N67-T76 PolarHBondContact N-OG1 2.88Å; N67-E77 HydrophobicContact CB-CG 3.94Å; N67-E77 WeakPolarHBondContact CB-OE1 3.14Å; N67-E77 PolarHBondContact ND2-OE1 2.99Å; N67-E77 WeakPolarHBondContact O-CG 3.33Å; N67-K114 HydrophobicContact CB-CD 4.34Å
68F86.8Confident88.3Confident13 Ų1356.9 Ų56.96%0.05729%0.288CS..  trans-108.1-7.2178.6-60.1-59.1000112.7L30 M64 S70 L136 H146 D148L30-F68 HydrophobicContact CB-CE2 4.28Å; L30-F68 WeakPolarHBondContact O-CZ 3.22Å; M64-F68 HydrophobicContact CB-CE1 4.41Å; M64-F68 WeakPolarHBondContact O-CE1 3.49Å; F68-S70 PolarHBondContact O-N 2.83Å; F68-L136 HydrophobicContact CD2-CD1 4.18Å; F68-L136 HydrophobicContact CD2-CD2 3.69Å; F68-L136 HydrophobicContact CE2-CD1 4.08Å; F68-L136 HydrophobicContact CE2-CD2 3.96Å; F68-L136 HydrophobicContact CG-CD2 4.49Å; F68-L136 HydrophobicContact CZ-CD1 4.31Å; F68-H146 PolarHBondContact O-CE1 3.14Å; F68-H146 VanDerWaalsContact O-CE1 3.23Å; F68-D148 WeakPolarHBondContact O-CA 3.21Å; F68-D148 WeakPolarHBondContact O-CB 3.36Å
69K83.4Confident89.1Confident75 Ų7559.3 Ų59.333%0.32630%0.304SS..  trans-67.9116.6-179.5-72-178.9171.9178.30110.3E24 N67 R71 V72E24-K69 IonicContact OE1-NZ 2.64Å; E24-K69 PolarHBondContact OE1-NZ 3.28Å; N67-K69 WeakPolarHBondContact OD1-CB 3.47Å; N67-K69 PolarHBondContact OD1-N 3.14Å; K69-R71 PolarHBondContact O-N 3.42Å; K69-R71 VanDerWaalsContact O-N 3.11Å; K69-V72 HydrophobicContact CB-CB 3.86Å; K69-V72 HydrophobicContact CB-CG2 3.89Å; K69-V72 HydrophobicContact CD-CG2 4.11Å; K69-V72 PolarHBondContact O-N 2.97Å; K69-V72 VanDerWaalsContact O-N 3.16Å; K69-V72 VanDerWaalsContact O-O 3.11Å
70S73.3Confident89.9Confident40 Ų4056.2 Ų56.228%0.2828%0.284SS..THydrogen-bonded Turntrans-53.5-35.8-172.7-174.90000114.3F68 N142F68-S70 PolarHBondContact O-N 2.83Å; S70-N142 VanDerWaalsContact CB-CG 3.48Å; S70-N142 WeakPolarHBondContact CB-OD1 3.31Å; S70-N142 PolarHBondContact OG-OD1 2.99Å
71R77.8Confident90.4Very high208 Ų20853.9 Ų53.979%0.78527%0.271SS*.THydrogen-bonded Turntrans-109.410.1-174.3-58.2-174.9-171.9179.76114.3K69 E141K69-R71 PolarHBondContact O-N 3.42Å; K69-R71 VanDerWaalsContact O-N 3.11Å; R71-E141 PolarHBondContact NH2-O 2.83Å
72V82.8Confident90.7Very high67 Ų6755 Ų5541%0.40628%0.279SS..  trans-115.2132.1176.4-177.70000107.2N67 K69N67-V72 PolarHBondContact ND2-O 2.84Å; K69-V72 HydrophobicContact CB-CB 3.86Å; K69-V72 HydrophobicContact CB-CG2 3.89Å; K69-V72 HydrophobicContact CD-CG2 4.11Å; K69-V72 PolarHBondContact O-N 2.97Å; K69-V72 VanDerWaalsContact O-N 3.16Å; K69-V72 VanDerWaalsContact O-O 3.11Å
73R86.4Confident90.9Very high195 Ų19555.9 Ų55.974%0.73629%0.287SS*.  trans-123103.8172.4-66.4-63.1-175-177.8-2.6107.8E77R73-E77 VanDerWaalsContact CA-OE1 3.3Å; R73-E77 WeakPolarHBondContact CA-OE1 3.02Å
74D90.8Very high90.9Very high61 Ų6160.5 Ų60.533%0.32631%0.308SS..  trans-107.92.1-17866.913.4000113.3N67 T76 E77 K114N67-D74 WeakPolarHBondContact CB-OD1 3.48Å; N67-D74 WeakPolarHBondContact CB-OD2 3.22Å; D74-T76 VanDerWaalsContact C-N 3.28Å; D74-T76 PolarHBondContact O-N 2.92Å; D74-T76 VanDerWaalsContact OD1-CB 3.29Å; D74-T76 WeakPolarHBondContact OD1-CB 3.45Å; D74-T76 WeakPolarHBondContact OD1-CG2 3.29Å; D74-T76 PolarHBondContact OD1-N 2.86Å; D74-T76 PolarHBondContact OD1-OG1 3.17Å; D74-E77 PolarHBondContact N-OE1 2.88Å; D74-E77 VanDerWaalsContact N-OE1 3.17Å; D74-K114 VanDerWaalsContact OD2-CD 3.29Å; D74-K114 WeakPolarHBondContact OD2-CD 3.46Å; D74-K114 VanDerWaalsContact OD2-CE 3.23Å; D74-K114 WeakPolarHBondContact OD2-CE 3.25Å; D74-K114 IonicContact OD2-NZ 2.66Å; D74-K114 PolarHBondContact OD2-NZ 3.29Å
75G92.8Very high90.9Very high66 Ų6660.4 Ų60.468%0.6831%0.308SS*.SBendtrans83.41.1177.500000113.9E77G75-E77 WeakPolarHBondContact CA-OE2 3.12Å; G75-E77 PolarHBondContact N-OE2 3.49Å
76T94.1Very high90.9Very high18 Ų1861.9 Ų61.911%0.1132%0.318CS..  trans-88.3-12.717768.60000113.2N67 D74 Q78 N112 K114N67-T76 WeakPolarHBondContact CB-OG1 3.4Å; N67-T76 PolarHBondContact N-OG1 2.88Å; D74-T76 VanDerWaalsContact C-N 3.28Å; D74-T76 PolarHBondContact O-N 2.92Å; D74-T76 VanDerWaalsContact OD1-CB 3.29Å; D74-T76 WeakPolarHBondContact OD1-CB 3.45Å; D74-T76 WeakPolarHBondContact OD1-CG2 3.29Å; D74-T76 PolarHBondContact OD1-N 2.86Å; D74-T76 PolarHBondContact OD1-OG1 3.17Å; T76-Q78 PolarHBondContact O-N 2.89Å; T76-N112 WeakPolarHBondContact CG2-OD1 3.33Å; T76-K114 HydrophobicContact CG2-CB 4.1Å; T76-K114 HydrophobicContact CG2-CD 4.12Å; T76-K114 HydrophobicContact CG2-CG 4.19Å
77E94Very high90.8Very high46 Ų4668 Ų6822%0.21534%0.341CS..  trans-65.1128.7-174.7-58.684.8173.400111.8N67 R73 D74 G75N67-E77 HydrophobicContact CB-CG 3.94Å; N67-E77 WeakPolarHBondContact CB-OE1 3.14Å; N67-E77 PolarHBondContact ND2-OE1 2.99Å; N67-E77 WeakPolarHBondContact O-CG 3.33Å; R73-E77 VanDerWaalsContact CA-OE1 3.3Å; R73-E77 WeakPolarHBondContact CA-OE1 3.02Å; D74-E77 PolarHBondContact N-OE1 2.88Å; D74-E77 VanDerWaalsContact N-OE1 3.17Å; G75-E77 WeakPolarHBondContact CA-OE2 3.12Å; G75-E77 PolarHBondContact N-OE2 3.49Å
78Q96.6Very high90.9Very high15 Ų1569.4 Ų69.47%0.0735%0.346CS..EExtended strand (participates in β ladder)trans-131.8134.3178.3-67.8176.368.400109.8M64 L65 T76 M110 N112M64-Q78 CarbonylContact C-O 3.59Å; M64-Q78 VanDerWaalsContact CA-O 3.3Å; M64-Q78 WeakPolarHBondContact CA-O 3.35Å; L65-Q78 HydrophobicContact CB-CB 4.44Å; L65-Q78 HydrophobicContact CD1-CB 4.43Å; L65-Q78 PolarHBondContact N-O 2.95Å; L65-Q78 PolarHBondContact O-N 2.72Å; T76-Q78 PolarHBondContact O-N 2.89Å; Q78-M110 HydrophobicContact CG-CE 4.46Å; Q78-M110 PolarHBondContact NE2-O 2.98Å; Q78-N112 PolarHBondContact NE2-ND2 3.23Å
79T96.4Very high90.4Very high84 Ų8478.2 Ų78.252%0.51538%0.379SS..EExtended strand (participates in β ladder)trans-121.7118.1168.8-61.10000108.1K62 V63 M64K62-T79 HydrophobicContact CB-CG2 4.34Å; V63-T79 CarbonylContact O-C 3.58Å; V63-T79 WeakPolarHBondContact O-CA 3.36Å; M64-T79 HydrophobicContact CG-CG2 4.33Å
80I97.3Very high89.7Confident5 Ų578 Ų783%0.02638%0.381CS..EExtended strand (participates in β ladder)trans-126.6134.9-175.3-51175.7000107.9V63 L65 L105 A106 K107 A109V63-I80 WeakPolarHBondContact CB-O 3.3Å; V63-I80 PolarHBondContact N-O 3Å; V63-I80 VanDerWaalsContact N-O 3.12Å; V63-I80 PolarHBondContact O-N 3.3Å; L65-I80 HydrophobicContact CD1-CD1 4.26Å; I80-L105 HydrophobicContact CD1-CD1 4.21Å; I80-L105 HydrophobicContact CG2-CB 3.89Å; I80-A106 HydrophobicContact CG2-CB 4.27Å; I80-K107 HydrophobicContact CG2-CG 3.98Å; I80-A109 HydrophobicContact CD1-CB 4.08Å
81N96.4Very high89.4Confident77 Ų7779.2 Ų79.241%0.41238%0.38SS..  trans-78.9144.7177-66.8-35.7000110.1K62 A106K62-N81 VanDerWaalsContact CD-OD1 3.22Å; K62-N81 WeakPolarHBondContact CD-OD1 3.44Å; K62-N81 PolarHBondContact NZ-OD1 3.22Å; N81-A106 VanDerWaalsContact O-CB 3.31Å; N81-A106 WeakPolarHBondContact O-CB 3.42Å; N81-A106 PolarHBondContact O-N 2.94Å
82P95.9Very high88.9Confident34 Ų3471.2 Ų71.222%0.22136%0.356CS..EExtended strand (participates in β ladder)trans-70.2141.5166.231.9-34.2000110L61 I85 I103 K104L61-P82 HydrophobicContact CB-CG 4.38Å; L61-P82 VanDerWaalsContact O-CD 3.27Å; L61-P82 WeakPolarHBondContact O-CD 3.45Å; P82-I85 HydrophobicContact CB-CG1 4.42Å; P82-I103 HydrophobicContact CB-CG2 3.5Å; P82-K104 WeakPolarHBondContact CA-O 3.45Å
83I95.9Very high88.1Confident106 Ų10675 Ų7554%0.54437%0.374SS..EExtended strand (participates in β ladder)trans-111.5-17.7171.955166.1000113K104 A106I83-K104 HydrophobicContact CD1-CD 3.95Å; I83-K104 HydrophobicContact CD1-CG 4.1Å; I83-K104 HydrophobicContact CG1-CB 4.13Å; I83-K104 HydrophobicContact CG1-CD 4.29Å; I83-K104 HydrophobicContact CG1-CG 4.07Å; I83-K104 WeakPolarHBondContact CG1-O 3.26Å; I83-K104 PolarHBondContact N-O 3.08Å; I83-A106 VanDerWaalsContact CG2-CA 3.43Å; I83-A106 HydrophobicContact CG2-CB 3.52Å
84Q95.3Very high86.8Confident96 Ų9671 Ų7145%0.44938%0.376SS..EExtended strand (participates in β ladder)trans-153138.4177.4-171.1-178.5-2.700108.6V86 K104Q84-V86 HydrophobicContact CG-CG2 4.01Å; Q84-K104 HydrophobicContact CB-CB 3.85Å; Q84-K104 PolarHBondContact O-N 2.89Å
85I94.9Very high85.6Confident49 Ų4968.6 Ų68.625%0.25136%0.364SS..EExtended strand (participates in β ladder)trans-124.1127.4170.7-60.4175000107.3Y57 L61 P82 M101 L102 I103Y57-I85 HydrophobicContact CD2-CB 4.42Å; Y57-I85 HydrophobicContact CD2-CD1 3.91Å; Y57-I85 HydrophobicContact CD2-CG2 3.91Å; Y57-I85 HydrophobicContact CE2-CB 4.31Å; Y57-I85 HydrophobicContact CE2-CD1 3.91Å; Y57-I85 HydrophobicContact CE2-CG2 4.26Å; L61-I85 HydrophobicContact CD1-CD1 4.01Å; P82-I85 HydrophobicContact CB-CG1 4.42Å; I85-M101 HydrophobicContact CG2-CB 4.46Å; I85-M101 HydrophobicContact CG2-CG 4.43Å; I85-M101 HydrophobicContact CG2-SD 3.63Å; I85-L102 CarbonylContact C-O 3.07Å; I85-L102 WeakPolarHBondContact CA-O 2.85Å; I85-I103 HydrophobicContact CG1-CG1 4.39Å; I85-I103 HydrophobicContact CG1-CG2 4.26Å
86V94.4Very high84.6Confident35 Ų3566.9 Ų66.921%0.21234%0.341CS..EExtended strand (participates in β ladder)trans-120.4103179.6-170.10000107.8Q84 M101 L102 W227 T231Q84-V86 HydrophobicContact CG-CG2 4.01Å; V86-M101 CarbonylContact O-C 3.57Å; V86-M101 WeakPolarHBondContact O-CA 2.89Å; V86-L102 PolarHBondContact N-O 3.2Å; V86-L102 PolarHBondContact O-N 3.12Å; V86-W227 HydrophobicContact CG1-CZ2 4.14Å; V86-T231 HydrophobicContact CB-CG2 4.08Å; V86-T231 HydrophobicContact CG1-CG2 3.91Å; V86-T231 HydrophobicContact CG2-CG2 4.16Å
87R92.2Very high84Confident128 Ų12868 Ų6848%0.48335%0.345SS..EExtended strand (participates in β ladder)trans-77.2146.7173.2-65.2-175.3-67.1177.91.2109.9W89 M101R87-W89 PolarHBondContact O-N 2.73Å; R87-M101 HydrophobicContact CB-CB 4.38Å; R87-M101 HydrophobicContact CG-CB 3.95Å; R87-M101 HydrophobicContact CG-SD 4.43Å
88Y90.9Very high83.6Confident40 Ų4066.5 Ų66.516%0.15734%0.339CS..  trans-63.1131.2169.6-170.5-106.7000109.7N90 Y91 D98 L100 Y224 W227Y88-N90 HydrophobicContact CD1-CB 3.98Å; Y88-N90 HydrophobicContact CE1-CB 3.69Å; Y88-N90 PolarHBondContact O-N 2.95Å; Y88-N90 VanDerWaalsContact O-N 3.14Å; Y88-Y91 PolarHBondContact O-N 2.9Å; Y88-Y91 VanDerWaalsContact O-N 3.16Å; Y88-D98 HydrophobicContact CD1-CB 4Å; Y88-D98 HydrophobicContact CE1-CB 4.3Å; Y88-L100 WeakPolarHBondContact CB-O 3.31Å; Y88-L100 HydrophobicContact CD1-CD2 4.14Å; Y88-L100 HydrophobicContact CD2-CD2 4.41Å; Y88-L100 HydrophobicContact CG-CD2 3.83Å; Y88-L100 HydrophobicContact CG-CG 4.42Å; Y88-L100 PolarHBondContact N-O 2.82Å; Y88-Y224 HydrophobicContact CD1-CD1 4.48Å; Y88-Y224 HydrophobicContact CD1-CE1 4.1Å; Y88-Y224 HydrophobicContact CD2-CD1 4.08Å; Y88-Y224 HydrophobicContact CD2-CE1 4.49Å; Y88-Y224 HydrophobicContact CE1-CD1 4.17Å; Y88-Y224 AromaticContact CE1-CE1 3.68Å; Y88-Y224 HydrophobicContact CE1-CE1 3.68Å; Y88-Y224 AromaticContact CE2-CD1 3.75Å; Y88-Y224 HydrophobicContact CE2-CD1 3.75Å; Y88-Y224 HydrophobicContact CE2-CE1 4.13Å; Y88-Y224 HydrophobicContact CG-CD1 4.43Å; Y88-Y224 HydrophobicContact CG-CE1 4.48Å; Y88-Y224 AromaticContact CZ-CD1 3.79Å; Y88-Y224 AromaticContact CZ-CE1 3.69Å; Y88-W227 AromaticContact CD2-CD2 3.6Å; Y88-W227 HydrophobicContact CD2-CD2 3.6Å; Y88-W227 AromaticContact CD2-CE2 3.69Å; Y88-W227 HydrophobicContact CD2-CE3 4.03Å; Y88-W227 AromaticContact CD2-CG 3.83Å; Y88-W227 HydrophobicContact CD2-CG 3.83Å; Y88-W227 HydrophobicContact CD2-CZ2 4.19Å; Y88-W227 AromaticContact CD2-NE1 3.92Å; Y88-W227 HydrophobicContact CE2-CB 4.23Å; Y88-W227 HydrophobicContact CE2-CD2 4.13Å; Y88-W227 AromaticContact CE2-CG 3.85Å; Y88-W227 HydrophobicContact CE2-CG 3.85Å
89W75.9Confident83.3Confident198 Ų19865.9 Ų65.975%0.7534%0.336SS*.THydrogen-bonded Turntrans-64.2-20.9-166.760.1-81.2000114.3R87R87-W89 PolarHBondContact O-N 2.73Å
90N69Low83.1Confident70 Ų7062 Ų6237%0.37431%0.312SS..THydrogen-bonded Turntrans-99.39.6-179.4-159.144.4000113.7Y88 S92 D98Y88-N90 HydrophobicContact CD1-CB 3.98Å; Y88-N90 HydrophobicContact CE1-CB 3.69Å; Y88-N90 PolarHBondContact O-N 2.95Å; Y88-N90 VanDerWaalsContact O-N 3.14Å; N90-S92 PolarHBondContact O-N 2.79Å; N90-S92 VanDerWaalsContact O-N 3.16Å; N90-D98 PolarHBondContact ND2-OD2 3.16Å
91Y66.9Low82.9Confident65 Ų6561.8 Ų61.826%0.25531%0.311SS..  trans-66.1117.1174.4177.5-98.5000110.2A54 Y88 D99A54-Y91 HydrophobicContact CB-CD1 4.24Å; A54-Y91 HydrophobicContact CB-CD2 3.89Å; A54-Y91 HydrophobicContact CB-CE2 4.25Å; A54-Y91 HydrophobicContact CB-CG 3.86Å; Y88-Y91 PolarHBondContact O-N 2.9Å; Y88-Y91 VanDerWaalsContact O-N 3.16Å; Y91-D99 HydrophobicContact CD2-CB 4.05Å; Y91-D99 HydrophobicContact CE2-CB 3.84Å
92S67.5Low82.9Confident41 Ų4158.1 Ų58.129%0.28729%0.291SS..  trans-138156.4167.765.50000109.2N90 S94 A95N90-S92 PolarHBondContact O-N 2.79Å; N90-S92 VanDerWaalsContact O-N 3.16Å; S92-S94 PolarHBondContact O-N 3.03Å; S92-S94 PolarHBondContact OG-OG 2.91Å; S92-A95 CarbonylContact O-C 3.39Å; S92-A95 PolarHBondContact O-N 3.42Å; S92-A95 PolarHBondContact OG-N 2.92Å
93D65.9Low83Confident147 Ų14756.5 Ų56.579%0.78628%0.281SS*.THydrogen-bonded Turntrans-60-17.1174.3-61.2-29000112.3
94S59.2Low83Confident110 Ų11053.6 Ų53.677%0.76926%0.264SS*.THydrogen-bonded Turntrans-87.5-9.8173.757.40000115S92 P96S92-S94 PolarHBondContact O-N 3.03Å; S92-S94 PolarHBondContact OG-OG 2.91Å; S94-P96 VanDerWaalsContact C-CD 3.47Å
95A66.4Low83.2Confident10 Ų1049.2 Ų49.28%0.08324%0.244CC..  trans-128.563.1178.500000110.4S92 Q97 D98S92-A95 CarbonylContact O-C 3.39Å; S92-A95 PolarHBondContact O-N 3.42Å; S92-A95 PolarHBondContact OG-N 2.92Å; A95-Q97 PolarHBondContact O-N 3.41Å; A95-D98 PolarHBondContact O-N 3.1Å
96P72.4Confident83.3Confident30 Ų3049.4 Ų49.420%0.19525%0.253CS..G310 helixtrans-63.9-16.8-172.229-37.8000113.3S94 D98 D99 H172 V207S94-P96 VanDerWaalsContact C-CD 3.47Å; P96-D98 VanDerWaalsContact C-N 3.27Å; P96-D98 PolarHBondContact O-N 3.1Å; P96-D99 VanDerWaalsContact O-CB 3.31Å; P96-D99 WeakPolarHBondContact O-CB 3.29Å; P96-H172 VanDerWaalsContact CB-CE1 3.42Å; P96-H172 WeakPolarHBondContact CB-CE1 3.41Å; P96-H172 VanDerWaalsContact CG-CE1 3.46Å; P96-H172 WeakPolarHBondContact CG-CE1 3.16Å; P96-V207 HydrophobicContact CB-CG1 4.17Å; P96-V207 WeakPolarHBondContact O-CG1 3.48Å
97Q79.7Confident83.4Confident42 Ų4254 Ų5420%0.19627%0.27CS..G310 helixtrans-68.8-20.117469-79.9-5.100114.6A95 D99 S175 Y224A95-Q97 PolarHBondContact O-N 3.41Å; Q97-D99 VanDerWaalsContact C-N 3.25Å; Q97-D99 PolarHBondContact O-N 2.89Å; Q97-S175 VanDerWaalsContact CB-OG 3.28Å; Q97-S175 WeakPolarHBondContact CB-OG 3.31Å; Q97-Y224 PolarHBondContact O-OH 3.17Å
98D87.1Confident83.7Confident14 Ų1451.7 Ų51.78%0.07527%0.271CS..G310 helixtrans-93.629.7-178.5-71.4-35.6000111.7Y88 N90 A95 P96 L100 Y224Y88-D98 HydrophobicContact CD1-CB 4Å; Y88-D98 HydrophobicContact CE1-CB 4.3Å; N90-D98 PolarHBondContact ND2-OD2 3.16Å; A95-D98 PolarHBondContact O-N 3.1Å; P96-D98 VanDerWaalsContact C-N 3.27Å; P96-D98 PolarHBondContact O-N 3.1Å; D98-L100 PolarHBondContact O-N 3.05Å; D98-L100 VanDerWaalsContact O-N 3.11Å; D98-Y224 WeakPolarHBondContact OD1-CE1 3.3Å; D98-Y224 PolarHBondContact OD1-OH 2.87Å
99D88.7Confident84Confident3 Ų350 Ų502%0.01627%0.266CS..  trans-8776.5-174.7-174.719.4000111.5A54 H55 Y91 P96 Q97 V207 T219A54-D99 WeakPolarHBondContact CA-OD1 3.47Å; A54-D99 WeakPolarHBondContact CB-OD1 3.22Å; A54-D99 PolarHBondContact N-OD1 2.78Å; H55-D99 IonicContact CE1-OD2 2.66Å; H55-D99 PolarHBondContact CE1-OD2 3.26Å; H55-D99 IonicContact CG-OD1 2.64Å; H55-D99 IonicContact CG-OD2 3.39Å; H55-D99 PolarHBondContact N-OD1 3.12Å; H55-D99 IonicContact ND1-OD1 3.99Å; H55-D99 PolarHBondContact ND1-OD1 2.85Å; H55-D99 IonicContact ND1-OD2 3.74Å; H55-D99 PolarHBondContact ND1-OD2 3.09Å; Y91-D99 HydrophobicContact CD2-CB 4.05Å; Y91-D99 HydrophobicContact CE2-CB 3.84Å; P96-D99 VanDerWaalsContact O-CB 3.31Å; P96-D99 WeakPolarHBondContact O-CB 3.29Å; Q97-D99 VanDerWaalsContact C-N 3.25Å; Q97-D99 PolarHBondContact O-N 2.89Å; D99-V207 HydrophobicContact CB-CG1 4.3Å; D99-V207 HydrophobicContact CB-CG2 4.28Å; D99-T219 PolarHBondContact O-OG1 2.84Å
100L92.4Very high85.1Confident2 Ų246.7 Ų46.71%0.0126%0.26CS..  trans-145.9147.2174.572.1160.6000113.7L51 A52 Y88 D98 T219 Y224 W227L51-L100 HydrophobicContact CD1-CD1 4.41Å; A52-L100 CarbonylContact O-C 3.5Å; A52-L100 WeakPolarHBondContact O-CA 3.38Å; Y88-L100 WeakPolarHBondContact CB-O 3.31Å; Y88-L100 HydrophobicContact CD1-CD2 4.14Å; Y88-L100 HydrophobicContact CD2-CD2 4.41Å; Y88-L100 HydrophobicContact CG-CD2 3.83Å; Y88-L100 HydrophobicContact CG-CG 4.42Å; Y88-L100 PolarHBondContact N-O 2.82Å; D98-L100 PolarHBondContact O-N 3.05Å; D98-L100 VanDerWaalsContact O-N 3.11Å; L100-T219 HydrophobicContact CB-CG2 4.25Å; L100-T219 HydrophobicContact CD2-CG2 4.04Å; L100-Y224 HydrophobicContact CD1-CD1 3.96Å; L100-Y224 HydrophobicContact CD1-CD2 3.99Å; L100-Y224 HydrophobicContact CD1-CG 3.53Å; L100-Y224 HydrophobicContact CD2-CD1 3.68Å; L100-Y224 HydrophobicContact CD2-CD2 4.13Å; L100-Y224 HydrophobicContact CD2-CE1 3.7Å; L100-Y224 HydrophobicContact CD2-CE2 4.17Å; L100-Y224 HydrophobicContact CD2-CG 3.91Å; L100-Y224 HydrophobicContact CG-CD1 4.49Å; L100-Y224 HydrophobicContact CG-CG 4.42Å; L100-W227 HydrophobicContact CD1-CE3 3.79Å; L100-W227 HydrophobicContact CD1-CZ3 3.53Å; L100-W227 HydrophobicContact CG-CZ3 3.99Å
101M94.1Very high86.5Confident0 Ų047.2 Ų47.20%026%0.263CS..EExtended strand (participates in β ladder)trans-143.2156.1172.270177.7-178.100111.6A52 P53 A54 C56 I85 V86 R87 I103A52-M101 HydrophobicContact CB-CE 3.95Å; A52-M101 HydrophobicContact CB-CG 4.21Å; A52-M101 PolarHBondContact N-O 2.78Å; A52-M101 PolarHBondContact O-N 2.86Å; P53-M101 WeakPolarHBondContact O-CE 3.27Å; P53-M101 WeakPolarHBondContact O-CG 3.45Å; A54-M101 HydrophobicContact CB-CB 4.37Å; C56-M101 HydrophobicContact CB-CE 3.94Å; I85-M101 HydrophobicContact CG2-CB 4.46Å; I85-M101 HydrophobicContact CG2-CG 4.43Å; I85-M101 HydrophobicContact CG2-SD 3.63Å; V86-M101 CarbonylContact O-C 3.57Å; V86-M101 WeakPolarHBondContact O-CA 2.89Å; R87-M101 HydrophobicContact CB-CB 4.38Å; R87-M101 HydrophobicContact CG-CB 3.95Å; R87-M101 HydrophobicContact CG-SD 4.43Å; M101-I103 HydrophobicContact CE-CD1 3.93Å; M101-I103 HydrophobicContact CE-CG1 4.17Å
102L96.7Very high87.8Confident0 Ų045.5 Ų45.50%026%0.258CS..EExtended strand (participates in β ladder)trans-106.8136.4170.9-74.6167.8000110.5I45 W49 V50 L51 I85 V86 W227 I228 T231 A232I45-L102 HydrophobicContact CD1-CD2 3.56Å; W49-L102 HydrophobicContact CE3-CB 4.03Å; W49-L102 HydrophobicContact CZ3-CB 4.01Å; V50-L102 CarbonylContact O-C 3.57Å; V50-L102 WeakPolarHBondContact O-CA 3.45Å; L51-L102 HydrophobicContact CB-CD2 4.36Å; L51-L102 HydrophobicContact CD1-CD2 3.65Å; L51-L102 HydrophobicContact CD1-CG 4.11Å; I85-L102 CarbonylContact C-O 3.07Å; I85-L102 WeakPolarHBondContact CA-O 2.85Å; V86-L102 PolarHBondContact N-O 3.2Å; V86-L102 PolarHBondContact O-N 3.12Å; L102-W227 HydrophobicContact CB-CH2 4.42Å; L102-W227 HydrophobicContact CD1-CE3 4.44Å; L102-W227 HydrophobicContact CD1-CH2 3.89Å; L102-W227 HydrophobicContact CD1-CZ2 4.44Å; L102-W227 HydrophobicContact CD1-CZ3 3.88Å; L102-W227 HydrophobicContact CG-CH2 3.91Å; L102-W227 HydrophobicContact CG-CZ3 3.94Å; L102-I228 HydrophobicContact CD2-CG2 4.23Å; L102-T231 HydrophobicContact CD1-CG2 3.6Å; L102-A232 HydrophobicContact CD1-CB 4.16Å; L102-A232 HydrophobicContact CD2-CB 4.43Å
103I96.9Very high89.1Confident1 Ų148.8 Ų48.81%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-115.1117175.8-51.1173.4000108L33 W49 V50 A52 V63 P82 I85 M101 L105L33-I103 HydrophobicContact CD1-CD1 3.99Å; L33-I103 HydrophobicContact CD2-CD1 3.68Å; W49-I103 WeakPolarHBondContact CA-O 3.17Å; V50-I103 HydrophobicContact CB-CB 4.22Å; V50-I103 HydrophobicContact CG1-CD1 4.38Å; V50-I103 PolarHBondContact N-O 2.86Å; V50-I103 PolarHBondContact O-N 3.32Å; A52-I103 HydrophobicContact CB-CD1 4.23Å; V63-I103 HydrophobicContact CG2-CG2 4.23Å; P82-I103 HydrophobicContact CB-CG2 3.5Å; I85-I103 HydrophobicContact CG1-CG1 4.39Å; I85-I103 HydrophobicContact CG1-CG2 4.26Å; M101-I103 HydrophobicContact CE-CD1 3.93Å; M101-I103 HydrophobicContact CE-CG1 4.17Å; I103-L105 HydrophobicContact CG2-CD2 4.5Å
104K97.6Very high90.4Very high45 Ų4544 Ų4420%0.19625%0.25CS..EExtended strand (participates in β ladder)trans-84.5127.1171.1-165.1177-178.9174.20109.8S48 W49 P82 I83 Q84S48-K104 WeakPolarHBondContact O-CA 3.32Å; W49-K104 HydrophobicContact CD2-CB 4.37Å; W49-K104 HydrophobicContact CD2-CG 4.32Å; W49-K104 HydrophobicContact CE3-CB 3.98Å; W49-K104 HydrophobicContact CE3-CG 4.42Å; W49-K104 HydrophobicContact CH2-CB 3.81Å; W49-K104 HydrophobicContact CH2-CD 3.93Å; W49-K104 HydrophobicContact CH2-CG 4.01Å; W49-K104 HydrophobicContact CZ2-CB 4.17Å; W49-K104 HydrophobicContact CZ2-CD 3.71Å; W49-K104 HydrophobicContact CZ2-CG 3.86Å; W49-K104 HydrophobicContact CZ3-CB 3.7Å; W49-K104 HydrophobicContact CZ3-CG 4.28Å; P82-K104 WeakPolarHBondContact CA-O 3.45Å; I83-K104 HydrophobicContact CD1-CD 3.95Å; I83-K104 HydrophobicContact CD1-CG 4.1Å; I83-K104 HydrophobicContact CG1-CB 4.13Å; I83-K104 HydrophobicContact CG1-CD 4.29Å; I83-K104 HydrophobicContact CG1-CG 4.07Å; I83-K104 WeakPolarHBondContact CG1-O 3.26Å; I83-K104 PolarHBondContact N-O 3.08Å; Q84-K104 HydrophobicContact CB-CB 3.85Å; Q84-K104 PolarHBondContact O-N 2.89Å
105L97.8Very high92.2Very high3 Ų338.7 Ų38.72%0.01621%0.214CC..EExtended strand (participates in β ladder)trans-80.3145.9178.7-54.4-173000111.2L44 S48 V50 V63 I80 I103 K107 A109L44-L105 HydrophobicContact CD1-CD1 4.27Å; S48-L105 PolarHBondContact O-N 3.5Å; V50-L105 HydrophobicContact CG2-CD1 4.31Å; V50-L105 HydrophobicContact CG2-CD2 3.98Å; V50-L105 HydrophobicContact CG2-CG 4.39Å; V63-L105 HydrophobicContact CB-CD2 4.02Å; V63-L105 HydrophobicContact CG1-CD2 3.75Å; V63-L105 HydrophobicContact CG2-CD2 3.82Å; I80-L105 HydrophobicContact CD1-CD1 4.21Å; I80-L105 HydrophobicContact CG2-CB 3.89Å; I103-L105 HydrophobicContact CG2-CD2 4.5Å; L105-K107 VanDerWaalsContact CB-O 3.29Å; L105-K107 WeakPolarHBondContact CB-O 3.3Å; L105-K107 PolarHBondContact O-N 3.49Å; L105-A109 HydrophobicContact CD1-CB 4.44Å
106A97.3Very high93.7Very high54 Ų5441.8 Ų41.845%0.44623%0.226SC..SBendtrans-58.9-27.9177.300000113.7I80 N81 I83I80-A106 HydrophobicContact CG2-CB 4.27Å; N81-A106 VanDerWaalsContact O-CB 3.31Å; N81-A106 WeakPolarHBondContact O-CB 3.42Å; N81-A106 PolarHBondContact O-N 2.94Å; I83-A106 VanDerWaalsContact CG2-CA 3.43Å; I83-A106 HydrophobicContact CG2-CB 3.52Å
107K97.1Very high94.9Very high132 Ų13242.4 Ų42.457%0.57423%0.23SC*.SBendtrans-148.2154.9174.259.6179-178.4175.70108.8I80 L105I80-K107 HydrophobicContact CG2-CG 3.98Å; L105-K107 VanDerWaalsContact CB-O 3.29Å; L105-K107 WeakPolarHBondContact CB-O 3.3Å; L105-K107 PolarHBondContact O-N 3.49Å
108P98Very high95.7Very high78 Ų7841 Ų4151%0.50622%0.224SC..  trans-56141.3172.3-20.530.2000111.3P47 S48P47-P108 HydrophobicContact CB-CB 4Å; P47-P108 CarbonylContact O-C 3.57Å; P47-P108 WeakPolarHBondContact O-CA 3.37Å; S48-P108 WeakPolarHBondContact OG-CG 3.39Å
109A98.2Very high96.2Very high6 Ų643.8 Ų43.85%0.0524%0.243CC..  trans-66.2139.4167.800000110L44 P47 L65 I80 L105 L111 V115L44-A109 HydrophobicContact CD1-CB 4.46Å; L44-A109 HydrophobicContact CD2-CB 4.27Å; P47-A109 PolarHBondContact O-N 3.38Å; L65-A109 HydrophobicContact CD2-CB 4.34Å; I80-A109 HydrophobicContact CD1-CB 4.08Å; L105-A109 HydrophobicContact CD1-CB 4.44Å; A109-L111 PolarHBondContact O-N 3.08Å; A109-V115 HydrophobicContact CB-CG1 4.04Å
110M98.1Very high96.6Very high128 Ų12844.5 Ų44.563%0.63125%0.247SC*.  trans-77.4108.5174.1-58-173.7-49.200108.7Q78 N112Q78-M110 HydrophobicContact CG-CE 4.46Å; Q78-M110 PolarHBondContact NE2-O 2.98Å; M110-N112 PolarHBondContact O-ND2 3.05Å; M110-N112 VanDerWaalsContact O-ND2 3.14Å
111L97.8Very high96.8Very high80 Ų8044.5 Ų44.542%0.41925%0.247SC..  trans-68.2135.4-178-55.2-172.7000110.9L44 P47 A109 V115L44-L111 HydrophobicContact CD2-CD2 4.26Å; P47-L111 HydrophobicContact CG-CD1 4.38Å; A109-L111 PolarHBondContact O-N 3.08Å; L111-V115 VanDerWaalsContact CA-O 3.29Å; L111-V115 WeakPolarHBondContact CA-O 3.07Å
112N95.8Very high96.9Very high30 Ų3048.3 Ų48.316%0.1627%0.27CS..BIsolated β-bridgetrans-158.4177.6-179.16865.1000109.4T76 Q78 M110 K114 V115 Q116T76-N112 WeakPolarHBondContact CG2-OD1 3.33Å; Q78-N112 PolarHBondContact NE2-ND2 3.23Å; M110-N112 PolarHBondContact O-ND2 3.05Å; M110-N112 VanDerWaalsContact O-ND2 3.14Å; N112-K114 PolarHBondContact O-N 3.2Å; N112-K114 WeakPolarHBondContact OD1-CA 3.48Å; N112-K114 PolarHBondContact OD1-N 2.89Å; N112-V115 PolarHBondContact N-O 3.22Å; N112-V115 WeakPolarHBondContact ND2-CG2 3.15Å; N112-V115 CarbonylContact O-C 3.36Å; N112-V115 PolarHBondContact O-N 3.47Å; N112-V115 PolarHBondContact OD1-N 2.84Å; N112-Q116 WeakPolarHBondContact O-CG 3.45Å; N112-Q116 PolarHBondContact O-NE2 2.93Å
113P93.8Very high96.8Very high109 Ų10952.4 Ų52.471%0.70830%0.295SS*.THydrogen-bonded Turntrans-57.2-20.5-177.7-28.837.5000116.1
114K93.9Very high96.7Very high46 Ų4656.3 Ų56.320%0.232%0.316CS..THydrogen-bonded Turntrans-108.82.6177-62-170.1176.1-172.80113.8P26 P28 G66 N67 D74 T76 N112P26-K114 HydrophobicContact CB-CG 4.33Å; P28-K114 WeakPolarHBondContact CA-O 3.29Å; P28-K114 VanDerWaalsContact CB-C 3.45Å; G66-K114 WeakPolarHBondContact CA-O 3.33Å; N67-K114 HydrophobicContact CB-CD 4.34Å; D74-K114 VanDerWaalsContact OD2-CD 3.29Å; D74-K114 WeakPolarHBondContact OD2-CD 3.46Å; D74-K114 VanDerWaalsContact OD2-CE 3.23Å; D74-K114 WeakPolarHBondContact OD2-CE 3.25Å; D74-K114 IonicContact OD2-NZ 2.66Å; D74-K114 PolarHBondContact OD2-NZ 3.29Å; T76-K114 HydrophobicContact CG2-CB 4.1Å; T76-K114 HydrophobicContact CG2-CD 4.12Å; T76-K114 HydrophobicContact CG2-CG 4.19Å; N112-K114 PolarHBondContact O-N 3.2Å; N112-K114 WeakPolarHBondContact OD1-CA 3.48Å; N112-K114 PolarHBondContact OD1-N 2.89Å
115V96.8Very high96.5Very high0 Ų055.4 Ų55.40%031%0.314CS..BIsolated β-bridgetrans-138.399.6178.2-175.80000109.2P28 L44 L65 G66 A109 L111 N112P28-V115 CarbonylContact O-C 3.53Å; P28-V115 VanDerWaalsContact O-CA 3.25Å; P28-V115 WeakPolarHBondContact O-CA 3.22Å; L44-V115 HydrophobicContact CD2-CG1 3.89Å; L65-V115 HydrophobicContact CB-CG1 4.29Å; L65-V115 HydrophobicContact CB-CG2 4.06Å; L65-V115 HydrophobicContact CD2-CG1 4.01Å; G66-V115 VanDerWaalsContact CA-CG2 3.46Å; A109-V115 HydrophobicContact CB-CG1 4.04Å; L111-V115 VanDerWaalsContact CA-O 3.29Å; L111-V115 WeakPolarHBondContact CA-O 3.07Å; N112-V115 PolarHBondContact N-O 3.22Å; N112-V115 WeakPolarHBondContact ND2-CG2 3.15Å; N112-V115 CarbonylContact O-C 3.36Å; N112-V115 PolarHBondContact O-N 3.47Å; N112-V115 PolarHBondContact OD1-N 2.84Å
116Q97.1Very high96.4Very high74 Ų7465 Ų6535%0.34635%0.35SS..  trans-141.7141.8179.9-66.4-63.3-32.400110P28 Y29 N112P28-Q116 CarbonylContact C-O 3.52Å; P28-Q116 HydrophobicContact CB-CB 3.96Å; P28-Q116 HydrophobicContact CB-CG 4.14Å; P28-Q116 HydrophobicContact CG-CB 3.9Å; P28-Q116 HydrophobicContact CG-CG 4.22Å; P28-Q116 PolarHBondContact O-N 3.22Å; Y29-Q116 WeakPolarHBondContact CA-O 3.41Å; Y29-Q116 WeakPolarHBondContact CB-O 3.46Å; Y29-Q116 PolarHBondContact N-O 3.37Å; N112-Q116 WeakPolarHBondContact O-CG 3.45Å; N112-Q116 PolarHBondContact O-NE2 2.93Å
117P97.3Very high96.4Very high43 Ų4366.1 Ų66.128%0.27935%0.353SS..PPolyproline II helixtrans-70146.2172.929.8-33.5000111.2L44L44-P117 HydrophobicContact CG-CB 4.41Å; L44-P117 CarbonylContact O-C 3.58Å; L44-P117 WeakPolarHBondContact O-CA 3.46Å
118L97.1Very high96.3Very high12 Ų1262.3 Ų62.36%0.06335%0.352CS..PPolyproline II helixtrans-97126.2171.2-174.664.8000110.2Y29 V43 L44 I197 L202Y29-L118 HydrophobicContact CD1-CB 4.16Å; Y29-L118 HydrophobicContact CD1-CD1 4.06Å; Y29-L118 HydrophobicContact CD1-CD2 4.3Å; Y29-L118 HydrophobicContact CD1-CG 4.42Å; Y29-L118 HydrophobicContact CD2-CD2 4.17Å; Y29-L118 HydrophobicContact CE1-CD1 4.39Å; Y29-L118 HydrophobicContact CE2-CD2 4.49Å; Y29-L118 HydrophobicContact CG-CB 3.88Å; Y29-L118 HydrophobicContact CG-CD2 4.1Å; Y29-L118 HydrophobicContact CG-CG 4.41Å; V43-L118 HydrophobicContact CG1-CB 3.89Å; V43-L118 HydrophobicContact CG1-CD2 4.09Å; L44-L118 PolarHBondContact O-N 2.98Å; L118-I197 HydrophobicContact CD1-CG2 4.38Å; L118-I197 HydrophobicContact CD2-CD1 3.65Å; L118-I197 HydrophobicContact CD2-CG1 3.84Å; L118-I197 HydrophobicContact CD2-CG2 4.49Å; L118-L202 HydrophobicContact CD2-CB 3.68Å; L118-L202 HydrophobicContact CD2-CD1 3.98Å; L118-L202 HydrophobicContact CD2-CG 4.33Å; L118-L202 HydrophobicContact CG-CB 4.05Å
119P97.3Very high96.3Very high74 Ų7460.5 Ų60.548%0.48134%0.339SS..PPolyproline II helixtrans-62.2144.8176.9-23.634.7000112.6K201 L202P119-K201 HydrophobicContact CB-CG 4.5Å; P119-K201 CarbonylContact O-C 3.54Å; P119-K201 WeakPolarHBondContact O-CA 3.4Å; P119-L202 PolarHBondContact O-N 2.85Å
120L97.6Very high96.1Very high18 Ų1864.2 Ų64.29%0.09436%0.361CS..BIsolated β-bridgetrans-73.1156.9176.6-59.4176.2000112I45 L51 K201 L202 V221 V225 I228 E229I45-L120 HydrophobicContact CB-CD2 4.3Å; I45-L120 HydrophobicContact CG2-CD2 3.88Å; L51-L120 HydrophobicContact CD2-CD2 4.37Å; L120-K201 WeakPolarHBondContact O-CD 3.5Å; L120-L202 HydrophobicContact CD2-CD2 4.23Å; L120-V221 HydrophobicContact CD2-CG1 4.04Å; L120-V225 HydrophobicContact CB-CG2 4.36Å; L120-I228 HydrophobicContact CD1-CB 4.08Å; L120-I228 HydrophobicContact CD1-CD1 4.32Å; L120-I228 HydrophobicContact CD1-CG2 3.51Å; L120-I228 HydrophobicContact CD2-CD1 4.28Å; L120-I228 HydrophobicContact CD2-CG2 4.48Å; L120-E229 HydrophobicContact CD1-CG 4.45Å; L120-E229 WeakPolarHBondContact CD1-OE1 3.47Å
121A97Very high95.8Very high1 Ų158.3 Ų58.31%0.00833%0.332CS..PPolyproline II helixtrans-52.8139.4169.900000112.3L202 Y222 V225A121-L202 VanDerWaalsContact CB-O 3.28Å; A121-L202 WeakPolarHBondContact CB-O 3.42Å; A121-L202 PolarHBondContact N-O 2.78Å; A121-Y222 HydrophobicContact CB-CD2 4.25Å; A121-V225 VanDerWaalsContact O-CG2 3.3Å; A121-V225 WeakPolarHBondContact O-CG2 3.24Å
122T96.3Very high95.5Very high81 Ų8156.3 Ų56.350%0.49732%0.322SS..SBendtrans-112.2-8.6172.154.70000113.3K201 Y222T122-K201 HydrophobicContact CG2-CD 4.28Å; T122-K201 PolarHBondContact OG1-NZ 3.06Å; T122-Y222 VanDerWaalsContact O-CE2 3.24Å; T122-Y222 WeakPolarHBondContact O-CE2 3.4Å
123T95.3Very high95.1Very high85 Ų8555 Ų5552%0.52132%0.315SS..SBendtrans-152.1150.8179.257.70000108.9Q203 Y222T123-Q203 PolarHBondContact O-OE1 3.41Å; T123-Y222 VanDerWaalsContact CA-CE2 3.47Å
124N93.3Very high94.8Very high83 Ų8349.8 Ų49.844%0.44428%0.281SS..PPolyproline II helixtrans-58.5139.4166.4-83.8-50.1000111.2N220 Y222N124-N220 PolarHBondContact OD1-ND2 3.19Å; N124-N220 VanDerWaalsContact OD1-ND2 3.12Å; N124-Y222 HydrophobicContact CB-CD1 4.17Å; N124-Y222 HydrophobicContact CB-CE1 4.43Å; N124-Y222 WeakPolarHBondContact ND2-CD1 3.42Å; N124-Y222 WeakPolarHBondContact ND2-CE1 3.22Å; N124-Y222 VanDerWaalsContact OD1-CD1 3.23Å; N124-Y222 WeakPolarHBondContact OD1-CD1 3.24Å
125V94.9Very high94.4Very high26 Ų2647.6 Ų47.616%0.15827%0.272CS..PPolyproline II helixtrans-73137.6172.4-169.90000109.7T129 V157 C198 Q203V125-T129 HydrophobicContact CG1-CG2 3.86Å; V125-V157 HydrophobicContact CB-CG2 4.43Å; V125-V157 HydrophobicContact CG1-CB 4.29Å; V125-V157 HydrophobicContact CG1-CG2 3.84Å; V125-C198 HydrophobicContact CG1-CB 4.37Å; V125-C198 HydrophobicContact CG2-CB 4.14Å; V125-Q203 HydrophobicContact CG2-CB 3.78Å; V125-Q203 HydrophobicContact CG2-CG 3.37Å
126R95.6Very high93.7Very high204 Ų20447.6 Ų47.677%0.7727%0.272SS*.PPolyproline II helixtrans-79139.1175.1-66.1-177.3-178.5178-0.1110T129R126-T129 VanDerWaalsContact O-CB 3.25Å; R126-T129 WeakPolarHBondContact O-CB 3.32Å; R126-T129 PolarHBondContact O-N 2.84Å; R126-T129 VanDerWaalsContact O-N 3.11Å; R126-T129 PolarHBondContact O-OG1 2.98Å
127P96.3Very high92.8Very high78 Ų7844.8 Ų44.851%0.50626%0.259SS..THydrogen-bonded Turntrans-50.4143169.4-28.237.1000112T129P127-T129 VanDerWaalsContact C-N 3.27Å; P127-T129 PolarHBondContact O-N 2.96Å
128G95.5Very high91.9Very high53 Ų5344.4 Ų44.455%0.54625%0.252SS..THydrogen-bonded Turntrans82.6-9.7-174.400000114.8V130 V157G128-V130 PolarHBondContact O-N 3.07Å; G128-V157 PolarHBondContact N-O 2.94Å
129T96.5Very high90.7Very high40 Ų4044.1 Ų44.125%0.24525%0.251CS..  trans-65.5124.6172.6-53.30000109.1V125 R126 P127 P156 V157V125-T129 HydrophobicContact CG1-CG2 3.86Å; R126-T129 VanDerWaalsContact O-CB 3.25Å; R126-T129 WeakPolarHBondContact O-CB 3.32Å; R126-T129 PolarHBondContact O-N 2.84Å; R126-T129 VanDerWaalsContact O-N 3.11Å; R126-T129 PolarHBondContact O-OG1 2.98Å; P127-T129 VanDerWaalsContact C-N 3.27Å; P127-T129 PolarHBondContact O-N 2.96Å; T129-P156 WeakPolarHBondContact O-CA 3.09Å; T129-V157 PolarHBondContact O-N 3.26Å
130V94Very high89.3Confident84 Ų8447.5 Ų47.551%0.50926%0.261SS..EExtended strand (participates in β ladder)trans-77.4129171.8-179.70000108.9G128 E154G128-V130 PolarHBondContact O-N 3.07Å; V130-E154 HydrophobicContact CG1-CB 3.81Å; V130-E154 HydrophobicContact CG1-CG 4.46Å
131C93.4Very high87.9Confident4 Ų453.9 Ų53.93%0.02729%0.29CS..EExtended strand (participates in β ladder)trans-129.2153.1-176.6-60.70000110.5E154 A155 V196 I197 C198C131-E154 WeakPolarHBondContact O-CA 2.99Å; C131-A155 PolarHBondContact N-O 2.84Å; C131-A155 PolarHBondContact O-N 2.99Å; C131-V196 HydrophobicContact CB-CG1 3.74Å; C131-I197 CarbonylContact C-O 3.53Å; C131-I197 WeakPolarHBondContact CA-O 3.3Å; C131-I197 WeakPolarHBondContact CB-O 3.49Å; C131-C198 HydrophobicContact CB-CB 4.06Å; C131-C198 WeakPolarHBondContact CB-SG 3.48Å; C131-C198 WeakPolarHBondContact SG-CB 3.3Å; C131-C198 CovalentContact SG-SG 2.01Å; C131-C198 PolarHBondContact SG-SG 3.45Å
132L90.9Very high86.6Confident38 Ų3854.2 Ų54.220%0.19929%0.292CS..EExtended strand (participates in β ladder)trans-79.7122.1173.1179.867.6000109.1N152 I197L132-N152 HydrophobicContact CD1-CB 3.88Å; L132-I197 HydrophobicContact CB-CB 4.33Å; L132-I197 PolarHBondContact N-O 3.26Å; L132-I197 PolarHBondContact O-N 2.96Å
133L87.6Confident85.3Confident1 Ų154.5 Ų54.51%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-91123.5165.2-59.4-175.4000107.9N152 L153 A155 V178 F180 V193 T195 V196 Y218L133-N152 CarbonylContact O-C 3.6Å; L133-N152 WeakPolarHBondContact O-CA 3.34Å; L133-L153 WeakPolarHBondContact CA-O 3.42Å; L133-L153 HydrophobicContact CB-CB 4.34Å; L133-L153 VanDerWaalsContact CB-O 3.31Å; L133-L153 WeakPolarHBondContact CB-O 3.25Å; L133-L153 HydrophobicContact CD1-CD2 4.34Å; L133-L153 PolarHBondContact N-O 3.32Å; L133-L153 PolarHBondContact O-N 3.33Å; L133-A155 HydrophobicContact CD1-CB 3.86Å; L133-A155 HydrophobicContact CG-CB 4.32Å; L133-V178 HydrophobicContact CD1-CG1 4.05Å; L133-V178 HydrophobicContact CD2-CB 4.4Å; L133-V178 HydrophobicContact CD2-CG1 4.09Å; L133-V178 HydrophobicContact CD2-CG2 4.23Å; L133-V178 HydrophobicContact CG-CG1 4.38Å; L133-F180 HydrophobicContact CD1-CB 4.45Å; L133-F180 HydrophobicContact CD1-CD1 3.41Å; L133-F180 VanDerWaalsContact CD1-CD1 3.41Å; L133-F180 HydrophobicContact CD1-CD2 4.36Å; L133-F180 HydrophobicContact CD1-CE1 3.55Å; L133-F180 HydrophobicContact CD1-CE2 4.49Å; L133-F180 HydrophobicContact CD1-CG 3.84Å; L133-F180 HydrophobicContact CD1-CZ 4.13Å; L133-V193 HydrophobicContact CB-CG1 3.67Å; L133-V193 HydrophobicContact CD1-CG1 4.27Å; L133-V193 HydrophobicContact CG-CG1 4.4Å; L133-T195 WeakPolarHBondContact CA-O 3.31Å; L133-V196 HydrophobicContact CD2-CB 4.13Å; L133-V196 HydrophobicContact CD2-CG1 4.04Å; L133-V196 HydrophobicContact CD2-CG2 3.65Å; L133-Y218 HydrophobicContact CD2-CE2 4.47Å
134S86.9Confident83.9Confident0 Ų051.6 Ų51.60%028%0.284CS..EExtended strand (participates in β ladder)trans-129.3133.5-175.6-166.30000111Y29 Q151 N152 A194 T195Y29-S134 VanDerWaalsContact OH-CB 3.25Å; Y29-S134 WeakPolarHBondContact OH-CB 3.47Å; Y29-S134 PolarHBondContact OH-OG 2.9Å; S134-Q151 WeakPolarHBondContact CA-O 3.35Å; S134-N152 WeakPolarHBondContact CA-OD1 3.38Å; S134-N152 VanDerWaalsContact CB-OD1 3.29Å; S134-N152 WeakPolarHBondContact CB-OD1 3.34Å; S134-N152 PolarHBondContact OG-OD1 3.08Å; S134-A194 PolarHBondContact O-N 2.86Å; S134-A194 VanDerWaalsContact O-N 3.16Å; S134-T195 PolarHBondContact N-O 3.24Å; S134-T195 PolarHBondContact O-N 3.45Å; S134-T195 VanDerWaalsContact O-N 3.1Å; S134-T195 PolarHBondContact O-OG1 3.01Å; S134-T195 VanDerWaalsContact O-OG1 3.07Å
135G86.1Confident82.8Confident1 Ų157.3 Ų57.31%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-158.4-178.9-169.900000114.7L30 R150 Q151 A192L30-G135 WeakPolarHBondContact CD1-O 3.32Å; G135-R150 WeakPolarHBondContact O-CA 3.42Å; G135-Q151 PolarHBondContact N-O 2.92Å; G135-Q151 PolarHBondContact O-N 3.3Å; G135-A192 CarbonylContact C-O 3.49Å; G135-A192 WeakPolarHBondContact CA-O 3.27Å
136L82.8Confident81.8Confident0 Ų058.3 Ų58.30%030%0.302CS..EExtended strand (participates in β ladder)trans-116.6146.5174.8-65.9-177.6000111.1L30 Y32 V41 F68 P147 L149 R150 A192L30-L136 HydrophobicContact CD1-CD2 3.87Å; L30-L136 HydrophobicContact CD1-CG 4.17Å; Y32-L136 HydrophobicContact CD2-CD1 4.32Å; Y32-L136 HydrophobicContact CG-CD1 4.5Å; V41-L136 HydrophobicContact CG1-CD1 4.48Å; V41-L136 HydrophobicContact CG1-CG 4.44Å; V41-L136 HydrophobicContact CG2-CB 3.92Å; V41-L136 HydrophobicContact CG2-CD1 3.98Å; V41-L136 HydrophobicContact CG2-CG 4.06Å; F68-L136 HydrophobicContact CD2-CD1 4.18Å; F68-L136 HydrophobicContact CD2-CD2 3.69Å; F68-L136 HydrophobicContact CE2-CD1 4.08Å; F68-L136 HydrophobicContact CE2-CD2 3.96Å; F68-L136 HydrophobicContact CG-CD2 4.49Å; F68-L136 HydrophobicContact CZ-CD1 4.31Å; L136-P147 HydrophobicContact CB-CB 3.95Å; L136-P147 HydrophobicContact CB-CG 4.29Å; L136-P147 HydrophobicContact CD1-CG 4.32Å; L136-L149 CarbonylContact C-O 3.57Å; L136-L149 WeakPolarHBondContact CA-O 3.44Å; L136-R150 HydrophobicContact CD2-CG 3.96Å; L136-A192 PolarHBondContact N-O 3.3Å; L136-A192 VanDerWaalsContact N-O 3.1Å; L136-A192 PolarHBondContact O-N 2.99Å
137D77.6Confident81Confident15 Ų1548.7 Ų48.78%0.0827%0.266CS..EExtended strand (participates in β ladder)trans-143.6165.8-178.2-165.612000110.9P147 D148 L149 Q151D137-P147 CarbonylContact O-C 3.58Å; D137-P147 WeakPolarHBondContact O-CA 3.3Å; D137-P147 WeakPolarHBondContact O-CB 3.23Å; D137-D148 PolarHBondContact O-N 2.79Å; D137-L149 HydrophobicContact CB-CB 4.24Å; D137-L149 PolarHBondContact N-O 3.14Å; D137-L149 PolarHBondContact O-N 3.34Å; D137-Q151 HydrophobicContact CB-CG 3.34Å; D137-Q151 PolarHBondContact OD2-NE2 2.01Å
138W77.6Confident80.2Confident34 Ų3445.5 Ų45.513%0.12924%0.244CC..  trans-99.3123.4-174.5-71.8-104.9000110.8P39 P147 F188 E190P39-W138 HydrophobicContact CB-CZ2 4.46Å; P39-W138 HydrophobicContact CG-CH2 4.32Å; P39-W138 HydrophobicContact CG-CZ2 3.78Å; W138-P147 HydrophobicContact CD2-CB 4.01Å; W138-P147 HydrophobicContact CE3-CB 4.32Å; W138-P147 HydrophobicContact CG-CB 4.42Å; W138-P147 HydrophobicContact CH2-CB 4.48Å; W138-P147 HydrophobicContact CZ2-CB 4.21Å; W138-P147 HydrophobicContact CZ2-CG 4.2Å; W138-F188 HydrophobicContact CB-CB 3.66Å; W138-F188 HydrophobicContact CB-CD2 4.2Å; W138-F188 HydrophobicContact CB-CG 4.31Å; W138-F188 HydrophobicContact CD2-CB 4.35Å; W138-F188 HydrophobicContact CG-CB 3.73Å; W138-E190 WeakPolarHBondContact CZ3-O 3.34Å
139S72.6Confident79.4Confident7 Ų746 Ų465%0.04924%0.235CC..  trans-73.2149.8166.582.20000110.8E141 N142 D148S139-E141 PolarHBondContact O-N 2.88Å; S139-E141 PolarHBondContact OG-N 2.81Å; S139-N142 PolarHBondContact OG-N 2.94Å; S139-D148 WeakPolarHBondContact CA-OD1 3.47Å; S139-D148 WeakPolarHBondContact CB-OD1 3.44Å; S139-D148 WeakPolarHBondContact CB-OD2 3.48Å; S139-D148 PolarHBondContact N-OD1 2.82Å; S139-D148 PolarHBondContact OG-OD1 2.87Å; S139-D148 PolarHBondContact OG-OD2 2.82Å
140Q68.2Low78.7Confident144 Ų14446.7 Ų46.767%0.67323%0.232SC*.G310 helixtrans-65.8-23.9167.4-63.2-170.550.800111.8N142 S143 I187Q140-N142 VanDerWaalsContact C-N 3.28Å; Q140-N142 PolarHBondContact O-N 3.13Å; Q140-S143 PolarHBondContact O-N 2.82Å; Q140-I187 HydrophobicContact CG-CD1 4.18Å; Q140-I187 HydrophobicContact CG-CG2 4.2Å
141E68.4Low77.9Confident153 Ų15346.3 Ų46.372%0.71523%0.225SC*.G310 helixtrans-70.4-21.8-176-58.7-176.2-178.500113.6R71 S139R71-E141 PolarHBondContact NH2-O 2.83Å; S139-E141 PolarHBondContact O-N 2.88Å; S139-E141 PolarHBondContact OG-N 2.81Å
142N69.9Low77.3Confident8 Ų847.4 Ų47.44%0.04323%0.231CC..G310 helixtrans-100.710.1-178.8-166.231000114.2S70 S139 Q140 G144 R145 H146 D148S70-N142 VanDerWaalsContact CB-CG 3.48Å; S70-N142 WeakPolarHBondContact CB-OD1 3.31Å; S70-N142 PolarHBondContact OG-OD1 2.99Å; S139-N142 PolarHBondContact OG-N 2.94Å; Q140-N142 VanDerWaalsContact C-N 3.28Å; Q140-N142 PolarHBondContact O-N 3.13Å; N142-G144 PolarHBondContact O-N 3.06Å; N142-R145 PolarHBondContact O-N 3.38Å; N142-R145 VanDerWaalsContact O-N 3.09Å; N142-H146 PolarHBondContact ND2-CE1 3.26Å; N142-H146 PolarHBondContact ND2-N 3.26Å; N142-H146 PolarHBondContact ND2-ND1 2.98Å; N142-H146 VanDerWaalsContact ND2-ND1 3.16Å; N142-H146 PolarHBondContact ND2-NE2 3.49Å; N142-H146 PolarHBondContact ND2-O 2.66Å; N142-D148 WeakPolarHBondContact CB-OD2 3.44Å
143S67.2Low76.9Confident87 Ų8748.2 Ų48.261%0.60824%0.235SC*.THydrogen-bonded Turntrans49.833.4178.6-49.10000113.5Q140 R145Q140-S143 PolarHBondContact O-N 2.82Å; S143-R145 VanDerWaalsContact C-N 3.33Å; S143-R145 PolarHBondContact O-N 2.03Å
144G67Low76.8Confident23 Ų2354.4 Ų54.424%0.23726%0.264CS..THydrogen-bonded Turntrans72.210.4177.900000116.8N142N142-G144 PolarHBondContact O-N 3.06Å
145R70Confident76.9Confident203 Ų20354.5 Ų54.577%0.76627%0.265SS*.SBendtrans-68.5-36.4-172.9-70.8-179176.6179.60.5115N142 S143N142-R145 PolarHBondContact O-N 3.38Å; N142-R145 VanDerWaalsContact O-N 3.09Å; S143-R145 VanDerWaalsContact C-N 3.33Å; S143-R145 PolarHBondContact O-N 2.03Å
146H74.9Confident77.3Confident47 Ų4757 Ų5722%0.21828%0.28CS..SBendtrans-159.8156.9172.261.165.6000108.5Y32 F68 N142Y32-H146 HydrophobicContact CE1-CB 4.19Å; F68-H146 PolarHBondContact O-CE1 3.14Å; F68-H146 VanDerWaalsContact O-CE1 3.23Å; N142-H146 PolarHBondContact ND2-CE1 3.26Å; N142-H146 PolarHBondContact ND2-N 3.26Å; N142-H146 PolarHBondContact ND2-ND1 2.98Å; N142-H146 VanDerWaalsContact ND2-ND1 3.16Å; N142-H146 PolarHBondContact ND2-NE2 3.49Å; N142-H146 PolarHBondContact ND2-O 2.66Å
147P77.1Confident77.9Confident2 Ų257.3 Ų57.31%0.01328%0.282CS..  trans-65.4141.7172.430-35.1000109.7Y32 L136 D137 W138Y32-P147 HydrophobicContact CD2-CG 3.56Å; Y32-P147 HydrophobicContact CE2-CG 3.33Å; Y32-P147 HydrophobicContact CG-CG 4.32Å; Y32-P147 VanDerWaalsContact CZ-CD 3.47Å; L136-P147 HydrophobicContact CB-CB 3.95Å; L136-P147 HydrophobicContact CB-CG 4.29Å; L136-P147 HydrophobicContact CD1-CG 4.32Å; D137-P147 CarbonylContact O-C 3.58Å; D137-P147 WeakPolarHBondContact O-CA 3.3Å; D137-P147 WeakPolarHBondContact O-CB 3.23Å; W138-P147 HydrophobicContact CD2-CB 4.01Å; W138-P147 HydrophobicContact CE3-CB 4.32Å; W138-P147 HydrophobicContact CG-CB 4.42Å; W138-P147 HydrophobicContact CH2-CB 4.48Å; W138-P147 HydrophobicContact CZ2-CB 4.21Å; W138-P147 HydrophobicContact CZ2-CG 4.2Å
148D79.8Confident78.7Confident11 Ų1157.8 Ų57.86%0.05929%0.285CS..  trans-146.8-2.2-173.366.6-28.1000112.9F68 D137 S139 N142F68-D148 WeakPolarHBondContact O-CA 3.21Å; F68-D148 WeakPolarHBondContact O-CB 3.36Å; D137-D148 PolarHBondContact O-N 2.79Å; S139-D148 WeakPolarHBondContact CA-OD1 3.47Å; S139-D148 WeakPolarHBondContact CB-OD1 3.44Å; S139-D148 WeakPolarHBondContact CB-OD2 3.48Å; S139-D148 PolarHBondContact N-OD1 2.82Å; S139-D148 PolarHBondContact OG-OD1 2.87Å; S139-D148 PolarHBondContact OG-OD2 2.82Å; N142-D148 WeakPolarHBondContact CB-OD2 3.44Å
149L78.9Confident79.5Confident65 Ų6557.5 Ų57.534%0.3429%0.288SS..EExtended strand (participates in β ladder)trans-103142.3168.9-60.2-179.9000109.9L136 D137L136-L149 CarbonylContact C-O 3.57Å; L136-L149 WeakPolarHBondContact CA-O 3.44Å; D137-L149 HydrophobicContact CB-CB 4.24Å; D137-L149 PolarHBondContact N-O 3.14Å; D137-L149 PolarHBondContact O-N 3.34Å
150R82.1Confident80.3Confident53 Ų5360.5 Ų60.520%0.230%0.303CS..EExtended strand (participates in β ladder)trans-94.7136.4166.2-70.5167.7174.270.4-1.4107.5D25 P26 L30 G66 G135 L136D25-R150 WeakPolarHBondContact O-CD 2.98Å; P26-R150 PolarHBondContact O-NE 3.33Å; P26-R150 PolarHBondContact O-NH2 3.21Å; L30-R150 HydrophobicContact CD1-CG 4.46Å; G66-R150 PolarHBondContact O-NH2 3.15Å; G135-R150 WeakPolarHBondContact O-CA 3.42Å; L136-R150 HydrophobicContact CD2-CG 3.96Å
151Q77Confident81.5Confident76 Ų7661.2 Ų61.236%0.35530%0.304SS..EExtended strand (participates in β ladder)trans-118.4135.9175-68.4-67.1-7.500109.2S134 G135 D137S134-Q151 WeakPolarHBondContact CA-O 3.35Å; G135-Q151 PolarHBondContact N-O 2.92Å; G135-Q151 PolarHBondContact O-N 3.3Å; D137-Q151 HydrophobicContact CB-CG 3.34Å; D137-Q151 PolarHBondContact OD2-NE2 2.01Å
152N80.6Confident82.7Confident27 Ų2758.7 Ų58.714%0.14429%0.292CS..EExtended strand (participates in β ladder)trans-136134-179-86.7-8.1000108.2D25 L132 L133 S134D25-N152 VanDerWaalsContact CB-ND2 3.31Å; D25-N152 WeakPolarHBondContact CB-ND2 3.38Å; D25-N152 PolarHBondContact OD2-ND2 3.01Å; L132-N152 HydrophobicContact CD1-CB 3.88Å; L133-N152 CarbonylContact O-C 3.6Å; L133-N152 WeakPolarHBondContact O-CA 3.34Å; S134-N152 WeakPolarHBondContact CA-OD1 3.38Å; S134-N152 VanDerWaalsContact CB-OD1 3.29Å; S134-N152 WeakPolarHBondContact CB-OD1 3.34Å; S134-N152 PolarHBondContact OG-OD1 3.08Å
153L82.7Confident83.7Confident55 Ų5558.3 Ų58.329%0.28829%0.29SS..EExtended strand (participates in β ladder)trans-143.6138.8179.3173.966.1000109A17 L133 F180A17-L153 HydrophobicContact CB-CD1 3.82Å; L133-L153 WeakPolarHBondContact CA-O 3.42Å; L133-L153 HydrophobicContact CB-CB 4.34Å; L133-L153 VanDerWaalsContact CB-O 3.31Å; L133-L153 WeakPolarHBondContact CB-O 3.25Å; L133-L153 HydrophobicContact CD1-CD2 4.34Å; L133-L153 PolarHBondContact N-O 3.32Å; L133-L153 PolarHBondContact O-N 3.33Å; L153-F180 HydrophobicContact CD2-CB 3.8Å; L153-F180 HydrophobicContact CD2-CD2 3.77Å; L153-F180 HydrophobicContact CD2-CG 3.99Å
154E86.5Confident84.9Confident132 Ų13256.5 Ų56.562%0.61727%0.272SS*.EExtended strand (participates in β ladder)trans-93.4133.1170.8-70.2-172.7174.200110.8V130 C131V130-E154 HydrophobicContact CG1-CB 3.81Å; V130-E154 HydrophobicContact CG1-CG 4.46Å; C131-E154 WeakPolarHBondContact O-CA 2.99Å
155A88.9Confident86.1Confident2 Ų262.9 Ų62.92%0.01729%0.293CS..EExtended strand (participates in β ladder)trans-151.8147.1-179.500000112.6C131 L133 V178 F180C131-A155 PolarHBondContact N-O 2.84Å; C131-A155 PolarHBondContact O-N 2.99Å; L133-A155 HydrophobicContact CD1-CB 3.86Å; L133-A155 HydrophobicContact CG-CB 4.32Å; A155-V178 HydrophobicContact CB-CG1 3.37Å; A155-F180 HydrophobicContact CB-CB 3.81Å
156P93.6Very high86.9Confident52 Ų5254.3 Ų54.334%0.33826%0.264SS..EExtended strand (participates in β ladder)trans-78.9138.8-179.831.1-34.9000112.6T129 V178 K179T129-P156 WeakPolarHBondContact O-CA 3.09Å; P156-V178 WeakPolarHBondContact O-CG1 3.49Å; P156-K179 WeakPolarHBondContact CD-O 3.36Å; P156-K179 HydrophobicContact CG-CB 4.41Å; P156-K179 PolarHBondContact O-N 3.36Å
157V95Very high87.4Confident7 Ų758.5 Ų58.54%0.04228%0.283CS..BIsolated β-bridgetrans-68.2136.5168.9173.10000110.4V125 G128 T129 L176 C177 V178V125-V157 HydrophobicContact CB-CG2 4.43Å; V125-V157 HydrophobicContact CG1-CB 4.29Å; V125-V157 HydrophobicContact CG1-CG2 3.84Å; G128-V157 PolarHBondContact N-O 2.94Å; T129-V157 PolarHBondContact O-N 3.26Å; V157-L176 HydrophobicContact CG1-CD1 3.58Å; V157-L176 HydrophobicContact CG2-CD1 4.09Å; V157-C177 WeakPolarHBondContact CA-O 3.34Å; V157-V178 HydrophobicContact CG2-CG2 4.37Å
158M94.2Very high87.7Confident26 Ų2660.7 Ų60.713%0.12829%0.293CS..PPolyproline II helixtrans-90.3156.5176.6-59.2-179.472.700111.7E162 T166 C177 K179 V215M158-E162 HydrophobicContact CE-CB 3.96Å; M158-T166 HydrophobicContact CE-CG2 4.11Å; M158-C177 HydrophobicContact CB-CB 4.13Å; M158-C177 PolarHBondContact N-O 3.45Å; M158-C177 HydrophobicContact SD-CB 4.43Å; M158-K179 HydrophobicContact CG-CB 3.79Å; M158-K179 HydrophobicContact SD-CB 3.8Å; M158-K179 HydrophobicContact SD-CG 4.43Å; M158-V215 HydrophobicContact CE-CG2 4.09Å; M158-V215 HydrophobicContact SD-CB 4.16Å; M158-V215 HydrophobicContact SD-CG1 3.55Å; M158-V215 VanDerWaalsContact SD-CG1 3.55Å; M158-V215 HydrophobicContact SD-CG2 3.52Å; M158-V215 VanDerWaalsContact SD-CG2 3.52Å
159S94.4Very high88Confident27 Ų2760.1 Ų60.119%0.18929%0.29CS..PPolyproline II helixtrans-70.6149.2164.368.50000110.5K161 E162 C163S159-K161 PolarHBondContact O-N 2.99Å; S159-E162 WeakPolarHBondContact CB-OE2 3.46Å; S159-E162 PolarHBondContact N-OE2 2.82Å; S159-E162 PolarHBondContact O-N 3.18Å; S159-E162 VanDerWaalsContact O-N 3.08Å; S159-E162 WeakPolarHBondContact OG-CB 3.36Å; S159-E162 VanDerWaalsContact OG-CD 3.28Å; S159-E162 WeakPolarHBondContact OG-CG 3.48Å; S159-E162 PolarHBondContact OG-N 2.74Å; S159-E162 PolarHBondContact OG-OE2 3.3Å; S159-C163 WeakPolarHBondContact O-CB 3.36Å; S159-C163 PolarHBondContact O-N 2.81Å
160D90.8Very high88.4Confident71 Ų7162.3 Ų62.338%0.3830%0.297SS..Hα-helixtrans-55.5-41.9175.7-175.978.4000110.5E162 C163 Q164 N174D160-E162 VanDerWaalsContact C-N 3.35Å; D160-E162 PolarHBondContact O-N 2.93Å; D160-C163 PolarHBondContact O-N 3.49Å; D160-Q164 VanDerWaalsContact O-CG 3.27Å; D160-Q164 WeakPolarHBondContact O-CG 3.5Å; D160-Q164 PolarHBondContact O-N 2.92Å; D160-N174 PolarHBondContact OD1-N 2.78Å; D160-N174 VanDerWaalsContact OD1-N 3.14Å
161K93.1Very high88.4Confident159 Ų15963.7 Ų63.769%0.69132%0.315SS*.Hα-helixtrans-58.8-39.7176.3-175.7178.2-179.6179.70113.6S159 K165S159-K161 PolarHBondContact O-N 2.99Å; K161-K165 WeakPolarHBondContact O-CG 3.44Å
162E92.9Very high88.7Confident100 Ų10061.7 Ų61.747%0.46731%0.305SS..Hα-helixtrans-76.1-39.3176.7-72166134.300111.4M158 S159 D160 Q164 K165M158-E162 HydrophobicContact CE-CB 3.96Å; S159-E162 WeakPolarHBondContact CB-OE2 3.46Å; S159-E162 PolarHBondContact N-OE2 2.82Å; S159-E162 PolarHBondContact O-N 3.18Å; S159-E162 VanDerWaalsContact O-N 3.08Å; S159-E162 WeakPolarHBondContact OG-CB 3.36Å; S159-E162 VanDerWaalsContact OG-CD 3.28Å; S159-E162 WeakPolarHBondContact OG-CG 3.48Å; S159-E162 PolarHBondContact OG-N 2.74Å; S159-E162 PolarHBondContact OG-OE2 3.3Å; D160-E162 VanDerWaalsContact C-N 3.35Å; D160-E162 PolarHBondContact O-N 2.93Å; E162-Q164 VanDerWaalsContact C-N 3.33Å; E162-Q164 PolarHBondContact O-N 3.12Å; E162-K165 WeakPolarHBondContact O-CB 3.28Å; E162-K165 PolarHBondContact O-N 2.86Å; E162-K165 VanDerWaalsContact O-N 3.12Å
163C90.9Very high88.7Confident0 Ų069 Ų690%033%0.331CS..Hα-helixtrans-59.4-44.3175.8-1730000111.5S159 D160 K165 T166 G169 C177S159-C163 WeakPolarHBondContact O-CB 3.36Å; S159-C163 PolarHBondContact O-N 2.81Å; D160-C163 PolarHBondContact O-N 3.49Å; C163-K165 PolarHBondContact O-N 3.21Å; C163-K165 VanDerWaalsContact O-N 3.07Å; C163-T166 WeakPolarHBondContact O-CB 3.48Å; C163-T166 PolarHBondContact O-N 2.78Å; C163-T166 PolarHBondContact O-OG1 2.81Å; C163-G169 VanDerWaalsContact O-CA 3.31Å; C163-G169 WeakPolarHBondContact O-CA 3.48Å; C163-G169 VanDerWaalsContact SG-CA 3.59Å; C163-C177 HydrophobicContact CB-CB 3.5Å; C163-C177 WeakPolarHBondContact CB-SG 3.4Å; C163-C177 WeakPolarHBondContact SG-CB 3.23Å; C163-C177 CovalentContact SG-SG 2.02Å; C163-C177 PolarHBondContact SG-SG 3.11Å
164Q91.4Very high88.6Confident49 Ų4971 Ų7123%0.22934%0.342CS..THydrogen-bonded Turntrans-61.8-17.1177.5-70.2-54.1-50.400114.4D160 E162 T166 G169 K170 H172D160-Q164 VanDerWaalsContact O-CG 3.27Å; D160-Q164 WeakPolarHBondContact O-CG 3.5Å; D160-Q164 PolarHBondContact O-N 2.92Å; E162-Q164 VanDerWaalsContact C-N 3.33Å; E162-Q164 PolarHBondContact O-N 3.12Å; Q164-T166 VanDerWaalsContact C-N 3.31Å; Q164-G169 VanDerWaalsContact CD-O 3.31Å; Q164-G169 PolarHBondContact NE2-O 2.9Å; Q164-G169 PolarHBondContact OE1-O 2.77Å; Q164-K170 PolarHBondContact OE1-O 3Å; Q164-H172 VanDerWaalsContact NE2-C 3.3Å; Q164-H172 PolarHBondContact NE2-O 2.78Å
165K92.2Very high88.8Confident156 Ų15665.2 Ų65.268%0.67832%0.316SS*.THydrogen-bonded Turntrans-83.5-9.1174.8-64.6173-177.8-178.10113.1K161 E162 C163K161-K165 WeakPolarHBondContact O-CG 3.44Å; E162-K165 WeakPolarHBondContact O-CB 3.28Å; E162-K165 PolarHBondContact O-N 2.86Å; E162-K165 VanDerWaalsContact O-N 3.12Å; C163-K165 PolarHBondContact O-N 3.21Å; C163-K165 VanDerWaalsContact O-N 3.07Å
166T87.9Confident89Confident23 Ų2365.7 Ų65.714%0.14132%0.318CS..SBendtrans-92.9154.7-178.170.90000109.9M158 C163 Q164 Q168 G169 K170 V215M158-T166 HydrophobicContact CE-CG2 4.11Å; C163-T166 WeakPolarHBondContact O-CB 3.48Å; C163-T166 PolarHBondContact O-N 2.78Å; C163-T166 PolarHBondContact O-OG1 2.81Å; Q164-T166 VanDerWaalsContact C-N 3.31Å; T166-Q168 VanDerWaalsContact C-N 3.25Å; T166-Q168 PolarHBondContact O-N 2.84Å; T166-G169 PolarHBondContact O-N 2.66Å; T166-G169 PolarHBondContact OG1-N 3.39Å; T166-K170 WeakPolarHBondContact O-CB 3.45Å; T166-K170 PolarHBondContact O-N 2.98Å; T166-V215 HydrophobicContact CG2-CG2 3.74Å
167E84.9Confident88.9Confident136 Ų13663.3 Ų63.364%0.63630%0.303SS*.THydrogen-bonded Turntrans-61.6-36.2177.8-69.9-58.8132.900112.2K170E167-K170 WeakPolarHBondContact O-CG 3.38Å; E167-K170 WeakPolarHBondContact OE2-CE 3.31Å; E167-K170 IonicContact OE2-NZ 3.26Å; E167-K170 PolarHBondContact OE2-NZ 3.05Å
168Q83.1Confident88.7Confident47 Ų4763 Ų6322%0.2230%0.301CS..THydrogen-bonded Turntrans-72.4-42.4177.6-59.484-12.800111.5T166 H172 G212 I217T166-Q168 VanDerWaalsContact C-N 3.25Å; T166-Q168 PolarHBondContact O-N 2.84Å; Q168-H172 PolarHBondContact O-CD2 3.35Å; Q168-G212 PolarHBondContact NE2-O 3.47Å; Q168-I217 HydrophobicContact CB-CD1 4.27Å; Q168-I217 HydrophobicContact CB-CG1 4.13Å
169G86.7Confident88.3Confident0 Ų066.9 Ų66.90%032%0.317CS..THydrogen-bonded Turntrans-84.4-21.7-171.800000115.5C163 Q164 T166 S171 H172C163-G169 VanDerWaalsContact O-CA 3.31Å; C163-G169 WeakPolarHBondContact O-CA 3.48Å; C163-G169 VanDerWaalsContact SG-CA 3.59Å; Q164-G169 VanDerWaalsContact CD-O 3.31Å; Q164-G169 PolarHBondContact NE2-O 2.9Å; Q164-G169 PolarHBondContact OE1-O 2.77Å; T166-G169 PolarHBondContact O-N 2.66Å; T166-G169 PolarHBondContact OG1-N 3.39Å; G169-S171 PolarHBondContact O-N 2.71Å; G169-H172 PolarHBondContact O-N 2.82Å
170K86.7Confident87.6Confident110 Ų11066.4 Ų66.448%0.47831%0.312SS..THydrogen-bonded Turntrans-57.5-24.5-174.571.6-173.2179.8-176.90115.1Q164 T166 E167Q164-K170 PolarHBondContact OE1-O 3Å; T166-K170 WeakPolarHBondContact O-CB 3.45Å; T166-K170 PolarHBondContact O-N 2.98Å; E167-K170 WeakPolarHBondContact O-CG 3.38Å; E167-K170 WeakPolarHBondContact OE2-CE 3.31Å; E167-K170 IonicContact OE2-NZ 3.26Å; E167-K170 PolarHBondContact OE2-NZ 3.05Å
171S82.8Confident86.5Confident82 Ų8268.2 Ų68.257%0.57333%0.325SS*.THydrogen-bonded Turntrans-99.9-5.7178.2-58.80000113.3G169G169-S171 PolarHBondContact O-N 2.71Å
172H82.6Confident84.9Confident34 Ų3461.7 Ų61.716%0.15730%0.297CS..  trans-117.279-172.4-69.5-101.4000110.5P96 Q164 Q168 G169 I217P96-H172 VanDerWaalsContact CB-CE1 3.42Å; P96-H172 WeakPolarHBondContact CB-CE1 3.41Å; P96-H172 VanDerWaalsContact CG-CE1 3.46Å; P96-H172 WeakPolarHBondContact CG-CE1 3.16Å; Q164-H172 VanDerWaalsContact NE2-C 3.3Å; Q164-H172 PolarHBondContact NE2-O 2.78Å; Q168-H172 PolarHBondContact O-CD2 3.35Å; G169-H172 PolarHBondContact O-N 2.82Å; H172-I217 HydrophobicContact CB-CG2 3.78Å
173R80.8Confident83.2Confident181 Ų18162.8 Ų62.868%0.68331%0.31SS*.THydrogen-bonded Turntrans-67.8149.3173.5-64.8-176.9-177.2-178.11.9109.2S175R173-S175 PolarHBondContact O-N 2.67Å
174N81.4Confident81.2Confident98 Ų9867 Ų6752%0.52433%0.329SS..THydrogen-bonded Turntrans64.49.3166.8-83.6-43.2000114.9D160 K223D160-N174 PolarHBondContact OD1-N 2.78Å; D160-N174 VanDerWaalsContact OD1-N 3.14Å; N174-K223 VanDerWaalsContact CG-NZ 3.25Å; N174-K223 PolarHBondContact O-NZ 2.95Å; N174-K223 PolarHBondContact OD1-NZ 2.93Å
175S89.7Confident79.2Confident10 Ų1067.6 Ų67.67%0.0734%0.338CS..  trans-82.4161.7175.1-62.80000110.7Q97 R173 Y218Q97-S175 VanDerWaalsContact CB-OG 3.28Å; Q97-S175 WeakPolarHBondContact CB-OG 3.31Å; R173-S175 PolarHBondContact O-N 2.67Å; S175-Y218 WeakPolarHBondContact CB-O 3.28Å
176L92.9Very high77Confident11 Ų1169.8 Ų69.86%0.05834%0.342CS..EExtended strand (participates in β ladder)trans-86122.5167.3-179.170.3000107.9V157 V196 Q203 Y218 N220V157-L176 HydrophobicContact CG1-CD1 3.58Å; V157-L176 HydrophobicContact CG2-CD1 4.09Å; L176-V196 HydrophobicContact CD2-CB 3.84Å; L176-V196 HydrophobicContact CD2-CG1 3.9Å; L176-V196 HydrophobicContact CD2-CG2 3.95Å; L176-Q203 HydrophobicContact CD2-CB 3.95Å; L176-Y218 PolarHBondContact N-O 3.12Å; L176-Y218 WeakPolarHBondContact O-CB 3.4Å; L176-Y218 PolarHBondContact O-N 3.12Å; L176-N220 HydrophobicContact CB-CB 4.21Å
177C92Very high75.1Confident2 Ų272.4 Ų72.41%0.01436%0.355CS..EExtended strand (participates in β ladder)trans-112.9138.5179.1-52.50000110.3V157 M158 C163 V215 G216 I217V157-C177 WeakPolarHBondContact CA-O 3.34Å; M158-C177 HydrophobicContact CB-CB 4.13Å; M158-C177 PolarHBondContact N-O 3.45Å; M158-C177 HydrophobicContact SD-CB 4.43Å; C163-C177 HydrophobicContact CB-CB 3.5Å; C163-C177 WeakPolarHBondContact CB-SG 3.4Å; C163-C177 WeakPolarHBondContact SG-CB 3.23Å; C163-C177 CovalentContact SG-SG 2.02Å; C163-C177 PolarHBondContact SG-SG 3.11Å; C177-V215 HydrophobicContact CB-CG1 4.01Å; C177-G216 CarbonylContact C-O 3.54Å; C177-G216 VanDerWaalsContact CA-O 3.31Å; C177-G216 WeakPolarHBondContact CA-O 3.31Å; C177-I217 HydrophobicContact CB-CD1 4.27Å; C177-I217 VanDerWaalsContact SG-CD1 3.56Å
178V90.6Very high73.2Confident0 Ų069.5 Ų69.50%034%0.34CS..EExtended strand (participates in β ladder)trans-127.9128.9-179.3-172.50000109L133 A155 P156 V157 F180 V196 V215 G216 Y218L133-V178 HydrophobicContact CD1-CG1 4.05Å; L133-V178 HydrophobicContact CD2-CB 4.4Å; L133-V178 HydrophobicContact CD2-CG1 4.09Å; L133-V178 HydrophobicContact CD2-CG2 4.23Å; L133-V178 HydrophobicContact CG-CG1 4.38Å; A155-V178 HydrophobicContact CB-CG1 3.37Å; P156-V178 WeakPolarHBondContact O-CG1 3.49Å; V157-V178 HydrophobicContact CG2-CG2 4.37Å; V178-F180 HydrophobicContact CB-CD1 4.3Å; V178-F180 HydrophobicContact CG1-CD1 4.2Å; V178-F180 WeakPolarHBondContact O-CD1 3.32Å; V178-F180 PolarHBondContact O-N 3.01Å; V178-V196 HydrophobicContact CG2-CG1 4.04Å; V178-V196 HydrophobicContact CG2-CG2 3.85Å; V178-V215 CarbonylContact O-C 3.59Å; V178-V215 WeakPolarHBondContact O-CA 3.48Å; V178-G216 PolarHBondContact N-O 3.08Å; V178-G216 PolarHBondContact O-N 2.89Å; V178-Y218 HydrophobicContact CB-CE2 4.1Å; V178-Y218 HydrophobicContact CG2-CD2 3.99Å; V178-Y218 HydrophobicContact CG2-CE2 3.91Å
179K87.5Confident71.6Confident109 Ų10970 Ų7047%0.47436%0.358SS..EExtended strand (participates in β ladder)trans-87.2109.6-178.5-171.2174.9-177.1174.70110.3P156 M158 D214P156-K179 WeakPolarHBondContact CD-O 3.36Å; P156-K179 HydrophobicContact CG-CB 4.41Å; P156-K179 PolarHBondContact O-N 3.36Å; M158-K179 HydrophobicContact CG-CB 3.79Å; M158-K179 HydrophobicContact SD-CB 3.8Å; M158-K179 HydrophobicContact SD-CG 4.43Å; K179-D214 CarbonylContact C-O 3.55Å; K179-D214 WeakPolarHBondContact CA-O 3.4Å
180F78.4Confident69.8Low17 Ų1772.9 Ų72.98%0.07537%0.371CS..  trans-153.3144.5173.167.5-84.2000110.8L133 L153 A155 V178 K182 D214 Y218L133-F180 HydrophobicContact CD1-CB 4.45Å; L133-F180 HydrophobicContact CD1-CD1 3.41Å; L133-F180 VanDerWaalsContact CD1-CD1 3.41Å; L133-F180 HydrophobicContact CD1-CD2 4.36Å; L133-F180 HydrophobicContact CD1-CE1 3.55Å; L133-F180 HydrophobicContact CD1-CE2 4.49Å; L133-F180 HydrophobicContact CD1-CG 3.84Å; L133-F180 HydrophobicContact CD1-CZ 4.13Å; L153-F180 HydrophobicContact CD2-CB 3.8Å; L153-F180 HydrophobicContact CD2-CD2 3.77Å; L153-F180 HydrophobicContact CD2-CG 3.99Å; A155-F180 HydrophobicContact CB-CB 3.81Å; V178-F180 HydrophobicContact CB-CD1 4.3Å; V178-F180 HydrophobicContact CG1-CD1 4.2Å; V178-F180 WeakPolarHBondContact O-CD1 3.32Å; V178-F180 PolarHBondContact O-N 3.01Å; F180-K182 HydrophobicContact CD2-CB 4.39Å; F180-K182 HydrophobicContact CE2-CB 3.98Å; F180-K182 HydrophobicContact CE2-CG 4.37Å; F180-K182 PolarHBondContact O-N 2.83Å; F180-D214 CarbonylContact C-O 3.5Å; F180-D214 PolarHBondContact N-O 3.39Å; F180-D214 CarbonylContact O-C 3.57Å; F180-D214 WeakPolarHBondContact O-CA 3.28Å; F180-D214 VanDerWaalsContact O-O 3.05Å; F180-Y218 HydrophobicContact CE1-CE2 4.33Å
181V67.6Low68.1Low109 Ų10968.6 Ų68.666%0.66135%0.354SS*.  trans-83.7112.4172.4-179.40000108V183 D214V181-V183 PolarHBondContact O-N 2.68Å; V181-V183 VanDerWaalsContact O-N 3.17Å; V181-D214 HydrophobicContact CG2-CB 4.17Å
182K60.1Low67Low21 Ų2165.4 Ų65.49%0.09133%0.333CS..  trans-73.3105.9170.6-164174.3-169.1169.10108.1F180 F184 V191 F210F180-K182 HydrophobicContact CD2-CB 4.39Å; F180-K182 HydrophobicContact CE2-CB 3.98Å; F180-K182 HydrophobicContact CE2-CG 4.37Å; F180-K182 PolarHBondContact O-N 2.83Å; K182-F184 PolarHBondContact O-N 3.2Å; K182-F184 VanDerWaalsContact O-N 3.12Å; K182-V191 PolarHBondContact NZ-O 3.21Å; K182-F210 HydrophobicContact CB-CD1 4.28Å; K182-F210 HydrophobicContact CB-CE1 3.66Å; K182-F210 HydrophobicContact CB-CZ 4.36Å; K182-F210 HydrophobicContact CD-CD1 3.44Å; K182-F210 VanDerWaalsContact CD-CD1 3.44Å; K182-F210 HydrophobicContact CD-CE1 3.74Å; K182-F210 HydrophobicContact CD-CG 4.27Å; K182-F210 HydrophobicContact CG-CD1 4.5Å; K182-F210 HydrophobicContact CG-CE1 4.35Å
183V56.3Low66Low124 Ų12464.5 Ų64.575%0.75233%0.33SS*.  trans-70.8108.8169.2-177.10000107.1V181 S185V181-V183 PolarHBondContact O-N 2.68Å; V181-V183 VanDerWaalsContact O-N 3.17Å; V183-S185 VanDerWaalsContact C-N 3.32Å; V183-S185 PolarHBondContact O-N 3.26Å
184F49.6Very low65.3Low88 Ų8856 Ų5639%0.38630%0.298SS..  trans-66.586.9177.3-90.8-76.9000110.7K182 R186 G212K182-F184 PolarHBondContact O-N 3.2Å; K182-F184 VanDerWaalsContact O-N 3.12Å; F184-R186 VanDerWaalsContact C-N 3.27Å; F184-R186 HydrophobicContact CB-CG 4.1Å; F184-R186 HydrophobicContact CD1-CG 3.77Å; F184-R186 HydrophobicContact CG-CG 4.33Å; F184-R186 PolarHBondContact O-N 2.93Å; F184-G212 VanDerWaalsContact CE2-CA 3.44Å
185S49.4Very low65.6Low62 Ų6251.3 Ų51.343%0.43427%0.273SS..  trans-80.580.91571780000107.7V183 I187V183-S185 VanDerWaalsContact C-N 3.32Å; V183-S185 PolarHBondContact O-N 3.26Å; S185-I187 PolarHBondContact O-N 2.93Å
186R45Very low65.8Low201 Ų20150.9 Ų50.976%0.75827%0.27SS*.THydrogen-bonded Turntrans-68.324.6-175.9-80.3-177.4173.9-174.2-2.6114.9F184 F188F184-R186 VanDerWaalsContact C-N 3.27Å; F184-R186 HydrophobicContact CB-CG 4.1Å; F184-R186 HydrophobicContact CD1-CG 3.77Å; F184-R186 HydrophobicContact CG-CG 4.33Å; F184-R186 PolarHBondContact O-N 2.93Å; R186-F188 PolarHBondContact O-N 3.13Å
187I48.6Very low65.9Low79 Ų7950.9 Ų50.941%0.40527%0.27SS..THydrogen-bonded Turntrans-71.5-37.9-169.8-50-175.5000110.7Q140 S185Q140-I187 HydrophobicContact CG-CD1 4.18Å; Q140-I187 HydrophobicContact CG-CG2 4.2Å; S185-I187 PolarHBondContact O-N 2.93Å
188F45.2Very low66.1Low75 Ų7551 Ų5133%0.32927%0.271SS..SBendtrans-153.2114.2171.7-61-75.8000112W138 R186W138-F188 HydrophobicContact CB-CB 3.66Å; W138-F188 HydrophobicContact CB-CD2 4.2Å; W138-F188 HydrophobicContact CB-CG 4.31Å; W138-F188 HydrophobicContact CD2-CB 4.35Å; W138-F188 HydrophobicContact CG-CB 3.73Å; R186-F188 PolarHBondContact O-N 3.13Å
189G49.3Very low66.2Low58 Ų5859.8 Ų59.860%0.59831%0.309SS*.SBendtrans65.5170.217200000114.8
190E49.5Very low66.5Low59 Ų5961 Ų6128%0.27632%0.321SS..  trans-76.4130.3170.8-66.1-164.9143.800109.8W138 A192 H209W138-E190 WeakPolarHBondContact CZ3-O 3.34Å; E190-A192 PolarHBondContact O-N 2.81Å; E190-H209 IonicContact OE1-CE1 3.8Å; E190-H209 PolarHBondContact OE1-CE1 2.86Å; E190-H209 IonicContact OE1-CG 3.47Å; E190-H209 IonicContact OE1-ND1 2.74Å; E190-H209 PolarHBondContact OE1-ND1 3.36Å; E190-H209 IonicContact OE1-NE2 3.06Å; E190-H209 PolarHBondContact OE1-NE2 3.22Å; E190-H209 IonicContact OE2-CE1 3.61Å; E190-H209 PolarHBondContact OE2-CE1 2.02Å; E190-H209 VanDerWaalsContact OE2-CE1 3.26Å; E190-H209 IonicContact OE2-CG 2.82Å; E190-H209 IonicContact OE2-ND1 3.49Å; E190-H209 PolarHBondContact OE2-ND1 3.45Å
191V51Low67.4Low21 Ų2163.2 Ų63.213%0.12733%0.33CS..  trans-48.9117167.3-175.60000108K182 V193K182-V191 PolarHBondContact NZ-O 3.21Å; V191-V193 VanDerWaalsContact C-N 3.32Å; V191-V193 HydrophobicContact CB-CG2 4.36Å; V191-V193 HydrophobicContact CG1-CG2 3.64Å; V191-V193 PolarHBondContact O-N 3.29Å; V191-V193 VanDerWaalsContact O-N 3.09Å
192A59.4Low68.8Low14 Ų1458 Ų5812%0.11630%0.299CS..EExtended strand (participates in β ladder)trans-82.684.5175.100000107.1V41 G135 L136 E190 A194V41-A192 HydrophobicContact CB-CB 4.22Å; V41-A192 HydrophobicContact CG2-CB 3.47Å; V41-A192 VanDerWaalsContact CG2-CB 3.47Å; G135-A192 CarbonylContact C-O 3.49Å; G135-A192 WeakPolarHBondContact CA-O 3.27Å; L136-A192 PolarHBondContact N-O 3.3Å; L136-A192 VanDerWaalsContact N-O 3.1Å; L136-A192 PolarHBondContact O-N 2.99Å; E190-A192 PolarHBondContact O-N 2.81Å; A192-A194 PolarHBondContact O-N 3.41Å
193V60.9Low70.5Confident15 Ų1557.4 Ų57.49%0.09130%0.296CS..EExtended strand (participates in β ladder)trans-77.179.2173.5-176.10000106.3L133 V191 T195 E206 Y218L133-V193 HydrophobicContact CB-CG1 3.67Å; L133-V193 HydrophobicContact CD1-CG1 4.27Å; L133-V193 HydrophobicContact CG-CG1 4.4Å; V191-V193 VanDerWaalsContact C-N 3.32Å; V191-V193 HydrophobicContact CB-CG2 4.36Å; V191-V193 HydrophobicContact CG1-CG2 3.64Å; V191-V193 PolarHBondContact O-N 3.29Å; V191-V193 VanDerWaalsContact O-N 3.09Å; V193-T195 VanDerWaalsContact C-N 3.32Å; V193-T195 PolarHBondContact O-N 2.82Å; V193-E206 PolarHBondContact N-OE2 3.05Å; V193-E206 WeakPolarHBondContact O-CB 3.4Å; V193-Y218 VanDerWaalsContact CG1-OH 3.24Å; V193-Y218 WeakPolarHBondContact CG1-OH 3.47Å; V193-Y218 VanDerWaalsContact O-CE1 3.32Å; V193-Y218 WeakPolarHBondContact O-CE1 3.4Å
194A65.9Low72.4Confident3 Ų351.5 Ų51.53%0.02526%0.26CS..EExtended strand (participates in β ladder)trans-68.6-31.1-160.300000114L30 V41 S134 A192 I205 E206L30-A194 HydrophobicContact CD2-CB 4.41Å; V41-A194 HydrophobicContact CB-CB 3.45Å; V41-A194 VanDerWaalsContact CB-CB 3.45Å; V41-A194 HydrophobicContact CG1-CB 3.24Å; V41-A194 HydrophobicContact CG2-CB 4.43Å; S134-A194 PolarHBondContact O-N 2.86Å; S134-A194 VanDerWaalsContact O-N 3.16Å; A192-A194 PolarHBondContact O-N 3.41Å; A194-I205 VanDerWaalsContact O-CA 3.32Å; A194-I205 WeakPolarHBondContact O-CA 3.34Å; A194-E206 PolarHBondContact O-N 2.79Å
195T89.3Confident74.3Confident0 Ų047.4 Ų47.40%024%0.243CC..EExtended strand (participates in β ladder)trans-143.6148.5-165.161.30000114.6V43 L133 S134 V193 L202 G204V43-T195 HydrophobicContact CB-CG2 4.46Å; V43-T195 HydrophobicContact CG2-CG2 3.1Å; L133-T195 WeakPolarHBondContact CA-O 3.31Å; S134-T195 PolarHBondContact N-O 3.24Å; S134-T195 PolarHBondContact O-N 3.45Å; S134-T195 VanDerWaalsContact O-N 3.1Å; S134-T195 PolarHBondContact O-OG1 3.01Å; S134-T195 VanDerWaalsContact O-OG1 3.07Å; V193-T195 VanDerWaalsContact C-N 3.32Å; V193-T195 PolarHBondContact O-N 2.82Å; T195-L202 HydrophobicContact CG2-CD1 3.76Å; T195-G204 CarbonylContact C-O 3.6Å; T195-G204 VanDerWaalsContact CA-O 3.27Å; T195-G204 WeakPolarHBondContact CA-O 3.25Å
196V93.1Very high76Confident0 Ų045.8 Ų45.80%023%0.228CC..EExtended strand (participates in β ladder)trans-109124.6167.6-170.50000108.6C131 L133 L176 V178 Q203 G204 Y218C131-V196 HydrophobicContact CB-CG1 3.74Å; L133-V196 HydrophobicContact CD2-CB 4.13Å; L133-V196 HydrophobicContact CD2-CG1 4.04Å; L133-V196 HydrophobicContact CD2-CG2 3.65Å; L176-V196 HydrophobicContact CD2-CB 3.84Å; L176-V196 HydrophobicContact CD2-CG1 3.9Å; L176-V196 HydrophobicContact CD2-CG2 3.95Å; V178-V196 HydrophobicContact CG2-CG1 4.04Å; V178-V196 HydrophobicContact CG2-CG2 3.85Å; V196-Q203 PolarHBondContact O-N 3.07Å; V196-G204 PolarHBondContact N-O 2.79Å; V196-G204 PolarHBondContact O-N 3.34Å; V196-Y218 HydrophobicContact CG2-CD1 3.44Å; V196-Y218 VanDerWaalsContact CG2-CD1 3.44Å; V196-Y218 HydrophobicContact CG2-CD2 3.56Å; V196-Y218 HydrophobicContact CG2-CE1 3.65Å; V196-Y218 HydrophobicContact CG2-CE2 3.76Å; V196-Y218 HydrophobicContact CG2-CG 3.42Å; V196-Y218 VanDerWaalsContact CG2-CG 3.42Å
197I95.1Very high77.7Confident11 Ų1136.9 Ų36.96%0.05620%0.196CC..EExtended strand (participates in β ladder)trans-123.8120.5-175.8-51.2177000108.8Y29 L118 C131 L132 K201Y29-I197 HydrophobicContact CD2-CD1 4.45Å; Y29-I197 HydrophobicContact CE1-CD1 3.87Å; Y29-I197 HydrophobicContact CE2-CD1 3.57Å; Y29-I197 WeakPolarHBondContact OH-CD1 3.3Å; L118-I197 HydrophobicContact CD1-CG2 4.38Å; L118-I197 HydrophobicContact CD2-CD1 3.65Å; L118-I197 HydrophobicContact CD2-CG1 3.84Å; L118-I197 HydrophobicContact CD2-CG2 4.49Å; C131-I197 CarbonylContact C-O 3.53Å; C131-I197 WeakPolarHBondContact CA-O 3.3Å; C131-I197 WeakPolarHBondContact CB-O 3.49Å; L132-I197 HydrophobicContact CB-CB 4.33Å; L132-I197 PolarHBondContact N-O 3.26Å; L132-I197 PolarHBondContact O-N 2.96Å; I197-K201 WeakPolarHBondContact CA-O 3.5Å
198C95.3Very high78.6Confident6 Ų634.4 Ų34.44%0.04119%0.19CC..EExtended strand (participates in β ladder)trans-129126177.1-40.40000108.7V125 C131 D200 K201 Q203V125-C198 HydrophobicContact CG1-CB 4.37Å; V125-C198 HydrophobicContact CG2-CB 4.14Å; C131-C198 HydrophobicContact CB-CB 4.06Å; C131-C198 WeakPolarHBondContact CB-SG 3.48Å; C131-C198 WeakPolarHBondContact SG-CB 3.3Å; C131-C198 CovalentContact SG-SG 2.01Å; C131-C198 PolarHBondContact SG-SG 3.45Å; C198-D200 VanDerWaalsContact C-N 3.33Å; C198-D200 PolarHBondContact O-N 2.94Å; C198-K201 PolarHBondContact N-O 3.36Å; C198-K201 VanDerWaalsContact N-O 3.08Å; C198-K201 PolarHBondContact O-N 3.32Å; C198-Q203 HydrophobicContact CB-CG 3.81Å
199K93.4Very high79.3Confident184 Ų18437.1 Ų37.180%0.820%0.204SC*.THydrogen-bonded Turntrans53.249.4-177.2-53.7179.7-179.7-176.90111.9K201K199-K201 PolarHBondContact O-N 2.93Å; K199-K201 VanDerWaalsContact O-N 3.14Å
200D93.4Very high79.8Confident135 Ų13535.2 Ų35.272%0.72218%0.179SC*.THydrogen-bonded Turntrans59.124.5177.7-48.6-47.2000115.1C198C198-D200 VanDerWaalsContact C-N 3.33Å; C198-D200 PolarHBondContact O-N 2.94Å
201K97Very high79.8Confident62 Ų6240.1 Ų40.127%0.2720%0.204SC..EExtended strand (participates in β ladder)trans-126.6142.3178.1-63.5-174.3-175.5-159.10111.3P119 L120 T122 I197 C198 K199 Q203P119-K201 HydrophobicContact CB-CG 4.5Å; P119-K201 CarbonylContact O-C 3.54Å; P119-K201 WeakPolarHBondContact O-CA 3.4Å; L120-K201 WeakPolarHBondContact O-CD 3.5Å; T122-K201 HydrophobicContact CG2-CD 4.28Å; T122-K201 PolarHBondContact OG1-NZ 3.06Å; I197-K201 WeakPolarHBondContact CA-O 3.5Å; C198-K201 PolarHBondContact N-O 3.36Å; C198-K201 VanDerWaalsContact N-O 3.08Å; C198-K201 PolarHBondContact O-N 3.32Å; K199-K201 PolarHBondContact O-N 2.93Å; K199-K201 VanDerWaalsContact O-N 3.14Å; K201-Q203 WeakPolarHBondContact O-CG 3.02Å; K201-Q203 PolarHBondContact O-N 2.64Å
202L97.3Very high80.1Confident0 Ų039.6 Ų39.60%020%0.203CC..EExtended strand (participates in β ladder)trans-70.7113.7175-176.662.4000110.6V43 I45 L51 L118 P119 L120 A121 T195 G204 I205 V221V43-L202 HydrophobicContact CB-CD2 4.12Å; V43-L202 HydrophobicContact CG1-CD2 4.07Å; V43-L202 HydrophobicContact CG2-CD1 4.12Å; V43-L202 HydrophobicContact CG2-CD2 4.09Å; I45-L202 HydrophobicContact CG2-CD2 4.13Å; L51-L202 HydrophobicContact CD2-CD2 3.84Å; L118-L202 HydrophobicContact CD2-CB 3.68Å; L118-L202 HydrophobicContact CD2-CD1 3.98Å; L118-L202 HydrophobicContact CD2-CG 4.33Å; L118-L202 HydrophobicContact CG-CB 4.05Å; P119-L202 PolarHBondContact O-N 2.85Å; L120-L202 HydrophobicContact CD2-CD2 4.23Å; A121-L202 VanDerWaalsContact CB-O 3.28Å; A121-L202 WeakPolarHBondContact CB-O 3.42Å; A121-L202 PolarHBondContact N-O 2.78Å; T195-L202 HydrophobicContact CG2-CD1 3.76Å; L202-G204 WeakPolarHBondContact CD1-O 3.49Å; L202-I205 HydrophobicContact CD1-CG1 4.27Å; L202-I205 HydrophobicContact CD2-CD1 4.18Å; L202-I205 HydrophobicContact CD2-CG1 4.38Å; L202-V221 HydrophobicContact CD2-CG1 4.49Å; L202-V221 HydrophobicContact CD2-CG2 4.41Å; L202-V221 HydrophobicContact CG-CG1 4.43Å; L202-V221 HydrophobicContact CG-CG2 4.15Å
203Q97.2Very high80.5Confident8 Ų840.9 Ų40.94%0.03722%0.218CC..EExtended strand (participates in β ladder)trans-107.7-31.8-177.4-60.8-69.4-13.300112.7T123 V125 L176 V196 C198 K201 V221T123-Q203 PolarHBondContact O-OE1 3.41Å; V125-Q203 HydrophobicContact CG2-CB 3.78Å; V125-Q203 HydrophobicContact CG2-CG 3.37Å; L176-Q203 HydrophobicContact CD2-CB 3.95Å; V196-Q203 PolarHBondContact O-N 3.07Å; C198-Q203 HydrophobicContact CB-CG 3.81Å; K201-Q203 WeakPolarHBondContact O-CG 3.02Å; K201-Q203 PolarHBondContact O-N 2.64Å; Q203-V221 WeakPolarHBondContact O-CB 3.42Å; Q203-V221 PolarHBondContact O-N 3.14Å
204G94.4Very high81.3Confident0 Ų043.2 Ų43.20%023%0.229CC..EExtended strand (participates in β ladder)trans-141.1147.3-175.300000112.6T195 V196 L202 T219T195-G204 CarbonylContact C-O 3.6Å; T195-G204 VanDerWaalsContact CA-O 3.27Å; T195-G204 WeakPolarHBondContact CA-O 3.25Å; V196-G204 PolarHBondContact N-O 2.79Å; V196-G204 PolarHBondContact O-N 3.34Å; L202-G204 WeakPolarHBondContact CD1-O 3.49Å; G204-T219 VanDerWaalsContact CA-O 3.31Å; G204-T219 WeakPolarHBondContact CA-O 2.96Å
205I90.9Very high82.2Confident2 Ų243.1 Ų43.11%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-124.8138.5165.9-73178.4000108.7V43 L51 P53 A194 L202 Y218 T219 V221V43-I205 HydrophobicContact CG2-CD1 4.21Å; V43-I205 HydrophobicContact CG2-CG1 4.34Å; L51-I205 HydrophobicContact CB-CD1 3.9Å; L51-I205 HydrophobicContact CD2-CD1 3.34Å; L51-I205 HydrophobicContact CG-CD1 3.3Å; P53-I205 HydrophobicContact CB-CG2 4.39Å; P53-I205 HydrophobicContact CG-CG2 3.59Å; A194-I205 VanDerWaalsContact O-CA 3.32Å; A194-I205 WeakPolarHBondContact O-CA 3.34Å; L202-I205 HydrophobicContact CD1-CG1 4.27Å; L202-I205 HydrophobicContact CD2-CD1 4.18Å; L202-I205 HydrophobicContact CD2-CG1 4.38Å; I205-Y218 CarbonylContact O-C 3.42Å; I205-Y218 WeakPolarHBondContact O-CA 3.46Å; I205-Y218 WeakPolarHBondContact O-CB 3.26Å; I205-T219 PolarHBondContact N-O 2.98Å; I205-T219 PolarHBondContact O-N 3.11Å; I205-V221 HydrophobicContact CD1-CG2 4.44Å; I205-V221 HydrophobicContact CG1-CG2 4.17Å
206E85Confident82Confident28 Ų2843.2 Ų43.213%0.13123%0.229CC..EExtended strand (participates in β ladder)trans-55.3135.8-174.5-170.8170.9-157.400112.5P53 V193 A194 Y218P53-E206 WeakPolarHBondContact CG-O 3.29Å; V193-E206 PolarHBondContact N-OE2 3.05Å; V193-E206 WeakPolarHBondContact O-CB 3.4Å; A194-E206 PolarHBondContact O-N 2.79Å; E206-Y218 HydrophobicContact CB-CD1 4.31Å; E206-Y218 HydrophobicContact CB-CE1 4.22Å
207V79.9Confident81.8Confident15 Ų1543.8 Ų43.89%0.09123%0.233CC..  trans-106.2114.2173.3177.10000108.7P96 D99 I217 T219P96-V207 HydrophobicContact CB-CG1 4.17Å; P96-V207 WeakPolarHBondContact O-CG1 3.48Å; D99-V207 HydrophobicContact CB-CG1 4.3Å; D99-V207 HydrophobicContact CB-CG2 4.28Å; V207-I217 HydrophobicContact CB-CG2 4.39Å; V207-I217 PolarHBondContact N-O 3.28Å; V207-I217 VanDerWaalsContact N-O 3.12Å; V207-T219 VanDerWaalsContact CG2-OG1 3.26Å; V207-T219 WeakPolarHBondContact CG2-OG1 3.36Å
208G68.6Low81.6Confident27 Ų2743.4 Ų43.428%0.27823%0.23SC..SBendtrans50.6-165166.800000117.8H55 F210H55-G208 PolarHBondContact CE1-N 2.64Å; H55-G208 VanDerWaalsContact CE1-N 3.35Å; G208-F210 PolarHBondContact O-N 3.02Å
209H59Low81.5Confident131 Ų13143.1 Ų43.161%0.60623%0.229SC*.  trans-76113.4-169.2-166.859.5000111.9E190 M211E190-H209 IonicContact OE1-CE1 3.8Å; E190-H209 PolarHBondContact OE1-CE1 2.86Å; E190-H209 IonicContact OE1-CG 3.47Å; E190-H209 IonicContact OE1-ND1 2.74Å; E190-H209 PolarHBondContact OE1-ND1 3.36Å; E190-H209 IonicContact OE1-NE2 3.06Å; E190-H209 PolarHBondContact OE1-NE2 3.22Å; E190-H209 IonicContact OE2-CE1 3.61Å; E190-H209 PolarHBondContact OE2-CE1 2.02Å; E190-H209 VanDerWaalsContact OE2-CE1 3.26Å; E190-H209 IonicContact OE2-CG 2.82Å; E190-H209 IonicContact OE2-ND1 3.49Å; E190-H209 PolarHBondContact OE2-ND1 3.45Å; H209-M211 WeakPolarHBondContact CD2-CG 3.2Å; H209-M211 PolarHBondContact O-N 3.39Å; H209-M211 VanDerWaalsContact O-N 3.13Å
210F59.1Low81.5Confident18 Ų1835.2 Ų35.28%0.07920%0.195CC..  trans-80.390.7176.6-171.2-91.4000110.4K182 G208 G212 G213 V215K182-F210 HydrophobicContact CB-CD1 4.28Å; K182-F210 HydrophobicContact CB-CE1 3.66Å; K182-F210 HydrophobicContact CB-CZ 4.36Å; K182-F210 HydrophobicContact CD-CD1 3.44Å; K182-F210 VanDerWaalsContact CD-CD1 3.44Å; K182-F210 HydrophobicContact CD-CE1 3.74Å; K182-F210 HydrophobicContact CD-CG 4.27Å; K182-F210 HydrophobicContact CG-CD1 4.5Å; K182-F210 HydrophobicContact CG-CE1 4.35Å; G208-F210 PolarHBondContact O-N 3.02Å; F210-G212 VanDerWaalsContact CE1-C 3.49Å; F210-G212 PolarHBondContact O-N 3.2Å; F210-G213 WeakPolarHBondContact CZ-O 3.32Å; F210-V215 WeakPolarHBondContact CE2-O 3.46Å
211M51.2Low81.6Confident162 Ų16228.9 Ų28.980%0.79816%0.161SC*.  trans-73.530179.9-66.7-129-62.500115.1H209H209-M211 WeakPolarHBondContact CD2-CG 3.2Å; H209-M211 PolarHBondContact O-N 3.39Å; H209-M211 VanDerWaalsContact O-N 3.13Å
212G56.4Low81.6Confident11 Ų1130.2 Ų30.211%0.11317%0.165CC..SBendtrans88.5176.5179.900000115.1Q168 F184 F210Q168-G212 PolarHBondContact NE2-O 3.47Å; F184-G212 VanDerWaalsContact CE2-CA 3.44Å; F210-G212 VanDerWaalsContact CE1-C 3.49Å; F210-G212 PolarHBondContact O-N 3.2Å
213G67.9Low81.5Confident41 Ų4134.3 Ų34.342%0.42318%0.183SC..SBendtrans100.4-160.3-175.600000113.5F210F210-G213 WeakPolarHBondContact CZ-O 3.32Å
214D77.3Confident81.3Confident63 Ų6334.7 Ų34.734%0.33718%0.184SC..SBendtrans-116.311.5-164.470.7-35.6000114.8K179 F180 V181K179-D214 CarbonylContact C-O 3.55Å; K179-D214 WeakPolarHBondContact CA-O 3.4Å; F180-D214 CarbonylContact C-O 3.5Å; F180-D214 PolarHBondContact N-O 3.39Å; F180-D214 CarbonylContact O-C 3.57Å; F180-D214 WeakPolarHBondContact O-CA 3.28Å; F180-D214 VanDerWaalsContact O-O 3.05Å; V181-D214 HydrophobicContact CG2-CB 4.17Å
215V85.4Confident81.4Confident1 Ų136.2 Ų36.21%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-140106.6-175.5-178.80000112.9M158 T166 C177 V178 F210 I217M158-V215 HydrophobicContact CE-CG2 4.09Å; M158-V215 HydrophobicContact SD-CB 4.16Å; M158-V215 HydrophobicContact SD-CG1 3.55Å; M158-V215 VanDerWaalsContact SD-CG1 3.55Å; M158-V215 HydrophobicContact SD-CG2 3.52Å; M158-V215 VanDerWaalsContact SD-CG2 3.52Å; T166-V215 HydrophobicContact CG2-CG2 3.74Å; C177-V215 HydrophobicContact CB-CG1 4.01Å; V178-V215 CarbonylContact O-C 3.59Å; V178-V215 WeakPolarHBondContact O-CA 3.48Å; F210-V215 WeakPolarHBondContact CE2-O 3.46Å; V215-I217 HydrophobicContact CG1-CD1 4.06Å
216G85.9Confident81.6Confident2 Ų240.4 Ų40.42%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-77.2138.9172.500000112.5C177 V178C177-G216 CarbonylContact C-O 3.54Å; C177-G216 VanDerWaalsContact CA-O 3.31Å; C177-G216 WeakPolarHBondContact CA-O 3.31Å; V178-G216 PolarHBondContact N-O 3.08Å; V178-G216 PolarHBondContact O-N 2.89Å
217I88.2Confident82.1Confident13 Ų1341.1 Ų41.17%0.06723%0.225CC..EExtended strand (participates in β ladder)trans-109.9131.8179.2-51.4-61.3000109.6Q168 H172 C177 V207 V215Q168-I217 HydrophobicContact CB-CD1 4.27Å; Q168-I217 HydrophobicContact CB-CG1 4.13Å; H172-I217 HydrophobicContact CB-CG2 3.78Å; C177-I217 HydrophobicContact CB-CD1 4.27Å; C177-I217 VanDerWaalsContact SG-CD1 3.56Å; V207-I217 HydrophobicContact CB-CG2 4.39Å; V207-I217 PolarHBondContact N-O 3.28Å; V207-I217 VanDerWaalsContact N-O 3.12Å; V215-I217 HydrophobicContact CG1-CD1 4.06Å
218Y91Very high82.9Confident2 Ų240.4 Ų40.41%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-135.4144.7-175.1-59.4-96.1000110.8L133 S175 L176 V178 F180 V193 V196 I205 E206 N220L133-Y218 HydrophobicContact CD2-CE2 4.47Å; S175-Y218 WeakPolarHBondContact CB-O 3.28Å; L176-Y218 PolarHBondContact N-O 3.12Å; L176-Y218 WeakPolarHBondContact O-CB 3.4Å; L176-Y218 PolarHBondContact O-N 3.12Å; V178-Y218 HydrophobicContact CB-CE2 4.1Å; V178-Y218 HydrophobicContact CG2-CD2 3.99Å; V178-Y218 HydrophobicContact CG2-CE2 3.91Å; F180-Y218 HydrophobicContact CE1-CE2 4.33Å; V193-Y218 VanDerWaalsContact CG1-OH 3.24Å; V193-Y218 WeakPolarHBondContact CG1-OH 3.47Å; V193-Y218 VanDerWaalsContact O-CE1 3.32Å; V193-Y218 WeakPolarHBondContact O-CE1 3.4Å; V196-Y218 HydrophobicContact CG2-CD1 3.44Å; V196-Y218 VanDerWaalsContact CG2-CD1 3.44Å; V196-Y218 HydrophobicContact CG2-CD2 3.56Å; V196-Y218 HydrophobicContact CG2-CE1 3.65Å; V196-Y218 HydrophobicContact CG2-CE2 3.76Å; V196-Y218 HydrophobicContact CG2-CG 3.42Å; V196-Y218 VanDerWaalsContact CG2-CG 3.42Å; I205-Y218 CarbonylContact O-C 3.42Å; I205-Y218 WeakPolarHBondContact O-CA 3.46Å; I205-Y218 WeakPolarHBondContact O-CB 3.26Å; E206-Y218 HydrophobicContact CB-CD1 4.31Å; E206-Y218 HydrophobicContact CB-CE1 4.22Å; Y218-N220 PolarHBondContact O-N 3.3Å
219T92.8Very high84.2Confident1 Ų143 Ų431%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-62.6122.6168-64.80000107.8D99 L100 G204 I205 V207 V221 Y224D99-T219 PolarHBondContact O-OG1 2.84Å; L100-T219 HydrophobicContact CB-CG2 4.25Å; L100-T219 HydrophobicContact CD2-CG2 4.04Å; G204-T219 VanDerWaalsContact CA-O 3.31Å; G204-T219 WeakPolarHBondContact CA-O 2.96Å; I205-T219 PolarHBondContact N-O 2.98Å; I205-T219 PolarHBondContact O-N 3.11Å; V207-T219 VanDerWaalsContact CG2-OG1 3.26Å; V207-T219 WeakPolarHBondContact CG2-OG1 3.36Å; T219-V221 PolarHBondContact O-N 3.44Å; T219-Y224 HydrophobicContact CG2-CD2 3.95Å; T219-Y224 HydrophobicContact CG2-CE2 3.59Å
220N94.5Very high85.9Confident17 Ų1741.8 Ų41.89%0.09122%0.223CC..EExtended strand (participates in β ladder)trans-74.598.1179179.6-16.4000110.2N124 L176 Y218 Y222 K223 Y224N124-N220 PolarHBondContact OD1-ND2 3.19Å; N124-N220 VanDerWaalsContact OD1-ND2 3.12Å; L176-N220 HydrophobicContact CB-CB 4.21Å; Y218-N220 PolarHBondContact O-N 3.3Å; N220-Y222 PolarHBondContact O-N 3.33Å; N220-Y222 WeakPolarHBondContact OD1-CB 3.31Å; N220-Y222 PolarHBondContact OD1-N 3.14Å; N220-K223 HydrophobicContact CB-CD 4.2Å; N220-K223 HydrophobicContact CB-CG 4.31Å; N220-K223 WeakPolarHBondContact O-CB 3.49Å; N220-K223 PolarHBondContact O-N 2.98Å; N220-K223 VanDerWaalsContact O-N 3.12Å; N220-Y224 WeakPolarHBondContact O-CD2 3.12Å; N220-Y224 WeakPolarHBondContact O-CE2 3.46Å
221V95.6Very high87.7Confident2 Ų242.7 Ų42.71%0.01223%0.23CC..G310 helixtrans-58.4-35.4-173.3172.60000112.3L51 L120 L202 Q203 I205 T219 K223 Y224 V225 I228L51-V221 HydrophobicContact CD2-CG1 4.29Å; L51-V221 HydrophobicContact CD2-CG2 4.33Å; L120-V221 HydrophobicContact CD2-CG1 4.04Å; L202-V221 HydrophobicContact CD2-CG1 4.49Å; L202-V221 HydrophobicContact CD2-CG2 4.41Å; L202-V221 HydrophobicContact CG-CG1 4.43Å; L202-V221 HydrophobicContact CG-CG2 4.15Å; Q203-V221 WeakPolarHBondContact O-CB 3.42Å; Q203-V221 PolarHBondContact O-N 3.14Å; I205-V221 HydrophobicContact CD1-CG2 4.44Å; I205-V221 HydrophobicContact CG1-CG2 4.17Å; T219-V221 PolarHBondContact O-N 3.44Å; V221-K223 PolarHBondContact O-N 2.86Å; V221-K223 VanDerWaalsContact O-N 3.13Å; V221-Y224 PolarHBondContact O-N 3.2Å; V221-V225 PolarHBondContact O-N 3.12Å; V221-I228 HydrophobicContact CG1-CD1 4.01Å
222Y96Very high89.7Confident90 Ų9035 Ų3535%0.35319%0.192SC..G310 helixtrans-55.4-34.6179.9177.8-109.2000112.6A121 T122 T123 N124 N220 Y224A121-Y222 HydrophobicContact CB-CD2 4.25Å; T122-Y222 VanDerWaalsContact O-CE2 3.24Å; T122-Y222 WeakPolarHBondContact O-CE2 3.4Å; T123-Y222 VanDerWaalsContact CA-CE2 3.47Å; N124-Y222 HydrophobicContact CB-CD1 4.17Å; N124-Y222 HydrophobicContact CB-CE1 4.43Å; N124-Y222 WeakPolarHBondContact ND2-CD1 3.42Å; N124-Y222 WeakPolarHBondContact ND2-CE1 3.22Å; N124-Y222 VanDerWaalsContact OD1-CD1 3.23Å; N124-Y222 WeakPolarHBondContact OD1-CD1 3.24Å; N220-Y222 PolarHBondContact O-N 3.33Å; N220-Y222 WeakPolarHBondContact OD1-CB 3.31Å; N220-Y222 PolarHBondContact OD1-N 3.14Å; Y222-Y224 PolarHBondContact O-N 2.81Å
223K94.3Very high91.3Very high86 Ų8639.7 Ų39.737%0.37421%0.21SC..G310 helixtrans-67.2-23.5179-65.6-175.5174.7178.50113.5N174 N220 V221N174-K223 VanDerWaalsContact CG-NZ 3.25Å; N174-K223 PolarHBondContact O-NZ 2.95Å; N174-K223 PolarHBondContact OD1-NZ 2.93Å; N220-K223 HydrophobicContact CB-CD 4.2Å; N220-K223 HydrophobicContact CB-CG 4.31Å; N220-K223 WeakPolarHBondContact O-CB 3.49Å; N220-K223 PolarHBondContact O-N 2.98Å; N220-K223 VanDerWaalsContact O-N 3.12Å; V221-K223 PolarHBondContact O-N 2.86Å; V221-K223 VanDerWaalsContact O-N 3.13Å
224Y95Very high91.2Very high16 Ų1642.9 Ų42.96%0.06322%0.217CC..G310 helixtrans-109.21.6-174.2-52.9-86.2000113.2Y88 Q97 D98 L100 T219 N220 V221 Y222 S226 W227 I228Y88-Y224 HydrophobicContact CD1-CD1 4.48Å; Y88-Y224 HydrophobicContact CD1-CE1 4.1Å; Y88-Y224 HydrophobicContact CD2-CD1 4.08Å; Y88-Y224 HydrophobicContact CD2-CE1 4.49Å; Y88-Y224 HydrophobicContact CE1-CD1 4.17Å; Y88-Y224 AromaticContact CE1-CE1 3.68Å; Y88-Y224 HydrophobicContact CE1-CE1 3.68Å; Y88-Y224 AromaticContact CE2-CD1 3.75Å; Y88-Y224 HydrophobicContact CE2-CD1 3.75Å; Y88-Y224 HydrophobicContact CE2-CE1 4.13Å; Y88-Y224 HydrophobicContact CG-CD1 4.43Å; Y88-Y224 HydrophobicContact CG-CE1 4.48Å; Y88-Y224 AromaticContact CZ-CD1 3.79Å; Y88-Y224 AromaticContact CZ-CE1 3.69Å; Q97-Y224 PolarHBondContact O-OH 3.17Å; D98-Y224 WeakPolarHBondContact OD1-CE1 3.3Å; D98-Y224 PolarHBondContact OD1-OH 2.87Å; L100-Y224 HydrophobicContact CD1-CD1 3.96Å; L100-Y224 HydrophobicContact CD1-CD2 3.99Å; L100-Y224 HydrophobicContact CD1-CG 3.53Å; L100-Y224 HydrophobicContact CD2-CD1 3.68Å; L100-Y224 HydrophobicContact CD2-CD2 4.13Å; L100-Y224 HydrophobicContact CD2-CE1 3.7Å; L100-Y224 HydrophobicContact CD2-CE2 4.17Å; L100-Y224 HydrophobicContact CD2-CG 3.91Å; L100-Y224 HydrophobicContact CG-CD1 4.49Å; L100-Y224 HydrophobicContact CG-CG 4.42Å; T219-Y224 HydrophobicContact CG2-CD2 3.95Å; T219-Y224 HydrophobicContact CG2-CE2 3.59Å; N220-Y224 WeakPolarHBondContact O-CD2 3.12Å; N220-Y224 WeakPolarHBondContact O-CE2 3.46Å; V221-Y224 PolarHBondContact O-N 3.2Å; Y222-Y224 PolarHBondContact O-N 2.81Å; Y224-S226 VanDerWaalsContact C-N 3.26Å; Y224-S226 PolarHBondContact O-N 2.83Å; Y224-W227 CarbonylContact O-C 3.6Å; Y224-W227 WeakPolarHBondContact O-CA 3.4Å; Y224-W227 WeakPolarHBondContact O-CB 3.44Å; Y224-W227 PolarHBondContact O-N 3.04Å; Y224-I228 VanDerWaalsContact O-CG1 3.32Å; Y224-I228 WeakPolarHBondContact O-CG1 3.27Å; Y224-I228 PolarHBondContact O-N 3.25Å
225V96.1Very high90.1Very high33 Ų3351.6 Ų51.620%0.225%0.252CS..Hα-helixtrans-50.7-46.3-178.9172.10000111.6L120 A121 V221 W227 I228 E229L120-V225 HydrophobicContact CB-CG2 4.36Å; A121-V225 VanDerWaalsContact O-CG2 3.3Å; A121-V225 WeakPolarHBondContact O-CG2 3.24Å; V221-V225 PolarHBondContact O-N 3.12Å; V225-W227 VanDerWaalsContact C-N 3.32Å; V225-W227 PolarHBondContact O-N 3.15Å; V225-I228 PolarHBondContact O-N 3.21Å; V225-E229 HydrophobicContact CG1-CG 4.22Å; V225-E229 WeakPolarHBondContact O-CB 3.5Å; V225-E229 WeakPolarHBondContact O-CG 3.48Å; V225-E229 PolarHBondContact O-N 3.25Å
226S95.3Very high90.3Very high90 Ų9054.1 Ų54.163%0.62926%0.264SS*.Hα-helixtrans-60.4-39.7178.1-57.40000112.8Y224 N230Y224-S226 VanDerWaalsContact C-N 3.26Å; Y224-S226 PolarHBondContact O-N 2.83Å; S226-N230 VanDerWaalsContact O-CB 3.25Å; S226-N230 WeakPolarHBondContact O-CB 3.23Å; S226-N230 VanDerWaalsContact O-CG 3.24Å; S226-N230 PolarHBondContact O-N 2.9Å; S226-N230 VanDerWaalsContact O-N 3.15Å; S226-N230 PolarHBondContact O-ND2 2.92Å
227W95.3Very high90.6Very high43 Ų4356.8 Ų56.816%0.16328%0.277CS..Hα-helixtrans-70.9-42.2176.2172.181.2000111.5V86 Y88 L100 L102 Y224 V225 N230 T231V86-W227 HydrophobicContact CG1-CZ2 4.14Å; Y88-W227 AromaticContact CD2-CD2 3.6Å; Y88-W227 HydrophobicContact CD2-CD2 3.6Å; Y88-W227 AromaticContact CD2-CE2 3.69Å; Y88-W227 HydrophobicContact CD2-CE3 4.03Å; Y88-W227 AromaticContact CD2-CG 3.83Å; Y88-W227 HydrophobicContact CD2-CG 3.83Å; Y88-W227 HydrophobicContact CD2-CZ2 4.19Å; Y88-W227 AromaticContact CD2-NE1 3.92Å; Y88-W227 HydrophobicContact CE2-CB 4.23Å; Y88-W227 HydrophobicContact CE2-CD2 4.13Å; Y88-W227 AromaticContact CE2-CG 3.85Å; Y88-W227 HydrophobicContact CE2-CG 3.85Å; L100-W227 HydrophobicContact CD1-CE3 3.79Å; L100-W227 HydrophobicContact CD1-CZ3 3.53Å; L100-W227 HydrophobicContact CG-CZ3 3.99Å; L102-W227 HydrophobicContact CB-CH2 4.42Å; L102-W227 HydrophobicContact CD1-CE3 4.44Å; L102-W227 HydrophobicContact CD1-CH2 3.89Å; L102-W227 HydrophobicContact CD1-CZ2 4.44Å; L102-W227 HydrophobicContact CD1-CZ3 3.88Å; L102-W227 HydrophobicContact CG-CH2 3.91Å; L102-W227 HydrophobicContact CG-CZ3 3.94Å; Y224-W227 CarbonylContact O-C 3.6Å; Y224-W227 WeakPolarHBondContact O-CA 3.4Å; Y224-W227 WeakPolarHBondContact O-CB 3.44Å; Y224-W227 PolarHBondContact O-N 3.04Å; V225-W227 VanDerWaalsContact C-N 3.32Å; V225-W227 PolarHBondContact O-N 3.15Å; W227-N230 PolarHBondContact O-N 2.49Å; W227-T231 VanDerWaalsContact O-CB 3.28Å; W227-T231 WeakPolarHBondContact O-CB 3.43Å; W227-T231 PolarHBondContact O-N 3.01Å; W227-T231 PolarHBondContact O-OG1 3.42Å
228I96.5Very high90.7Very high0 Ų059.3 Ų59.30%029%0.288CS..Hα-helixtrans-58.8-52.7178.3-65.6164.9000109.8I45 L51 L102 L120 V221 Y224 V225 N230 T231 A232I45-I228 HydrophobicContact CD1-CG2 3.47Å; I45-I228 VanDerWaalsContact CD1-CG2 3.47Å; L51-I228 HydrophobicContact CD1-CD1 4.09Å; L51-I228 HydrophobicContact CD1-CG1 4.13Å; L51-I228 HydrophobicContact CD2-CD1 3.77Å; L102-I228 HydrophobicContact CD2-CG2 4.23Å; L120-I228 HydrophobicContact CD1-CB 4.08Å; L120-I228 HydrophobicContact CD1-CD1 4.32Å; L120-I228 HydrophobicContact CD1-CG2 3.51Å; L120-I228 HydrophobicContact CD2-CD1 4.28Å; L120-I228 HydrophobicContact CD2-CG2 4.48Å; V221-I228 HydrophobicContact CG1-CD1 4.01Å; Y224-I228 VanDerWaalsContact O-CG1 3.32Å; Y224-I228 WeakPolarHBondContact O-CG1 3.27Å; Y224-I228 PolarHBondContact O-N 3.25Å; V225-I228 PolarHBondContact O-N 3.21Å; I228-N230 PolarHBondContact O-N 2.87Å; I228-T231 PolarHBondContact O-N 3.16Å; I228-A232 VanDerWaalsContact O-CB 3.23Å; I228-A232 WeakPolarHBondContact O-CB 3.16Å; I228-A232 PolarHBondContact O-N 3.14Å
229E95.8Very high90.7Very high82 Ų8262.6 Ų62.638%0.38331%0.305SS..Hα-helixtrans-66.3-36.7-178.2-69.1-63.6169.200112.7K46 L120 V225 T231K46-E229 WeakPolarHBondContact CE-OE2 3.47Å; K46-E229 IonicContact NZ-OE2 2.63Å; K46-E229 PolarHBondContact NZ-OE2 3.23Å; L120-E229 HydrophobicContact CD1-CG 4.45Å; L120-E229 WeakPolarHBondContact CD1-OE1 3.47Å; V225-E229 HydrophobicContact CG1-CG 4.22Å; V225-E229 WeakPolarHBondContact O-CB 3.5Å; V225-E229 WeakPolarHBondContact O-CG 3.48Å; V225-E229 PolarHBondContact O-N 3.25Å; E229-T231 VanDerWaalsContact C-N 3.3Å; E229-T231 PolarHBondContact O-N 2.8Å
230N95.2Very high90.5Very high104 Ų10466.5 Ų66.556%0.55632%0.324SS*.Hα-helixtrans-68.5-30.7176.9-81.4-40.1000113.3S226 W227 I228 K233S226-N230 VanDerWaalsContact O-CB 3.25Å; S226-N230 WeakPolarHBondContact O-CB 3.23Å; S226-N230 VanDerWaalsContact O-CG 3.24Å; S226-N230 PolarHBondContact O-N 2.9Å; S226-N230 VanDerWaalsContact O-N 3.15Å; S226-N230 PolarHBondContact O-ND2 2.92Å; W227-N230 PolarHBondContact O-N 2.49Å; I228-N230 PolarHBondContact O-N 2.87Å; N230-K233 WeakPolarHBondContact O-CD 3.48Å; N230-K233 WeakPolarHBondContact O-CE 3.25Å
231T95.4Very high90.3Very high38 Ų3869.8 Ų69.823%0.23334%0.339CS..Hα-helixtrans-89.5-46.4-177.3-55.30000111.3V86 L102 W227 I228 E229 K233V86-T231 HydrophobicContact CB-CG2 4.08Å; V86-T231 HydrophobicContact CG1-CG2 3.91Å; V86-T231 HydrophobicContact CG2-CG2 4.16Å; L102-T231 HydrophobicContact CD1-CG2 3.6Å; W227-T231 VanDerWaalsContact O-CB 3.28Å; W227-T231 WeakPolarHBondContact O-CB 3.43Å; W227-T231 PolarHBondContact O-N 3.01Å; W227-T231 PolarHBondContact O-OG1 3.42Å; I228-T231 PolarHBondContact O-N 3.16Å; E229-T231 VanDerWaalsContact C-N 3.3Å; E229-T231 PolarHBondContact O-N 2.8Å; T231-K233 PolarHBondContact O-N 3.16Å
232A94.9Very high89.9Confident0 Ų074.6 Ų74.60%036%0.362CS..SBendtrans-82.856.1-177.700000112I45 K46 W49 L102 I228I45-A232 HydrophobicContact CD1-CB 4.47Å; K46-A232 HydrophobicContact CD-CB 4.38Å; K46-A232 WeakPolarHBondContact CD-O 3.44Å; K46-A232 WeakPolarHBondContact CE-O 3.43Å; K46-A232 PolarHBondContact NZ-O 3.16Å; W49-A232 HydrophobicContact CB-CB 4.17Å; W49-A232 HydrophobicContact CD2-CB 3.66Å; W49-A232 HydrophobicContact CE3-CB 4.07Å; W49-A232 HydrophobicContact CG-CB 3.69Å; L102-A232 HydrophobicContact CD1-CB 4.16Å; L102-A232 HydrophobicContact CD2-CB 4.43Å; I228-A232 VanDerWaalsContact O-CB 3.23Å; I228-A232 WeakPolarHBondContact O-CB 3.16Å; I228-A232 PolarHBondContact O-N 3.14Å
233K88.4Confident89.4Confident110 Ų11073.5 Ų73.548%0.47836%0.363SS..  trans-82.4130.8174-67.3176.8178.4170.50109.3W49 N230 T231 K235W49-K233 PolarHBondContact NE1-O 3Å; N230-K233 WeakPolarHBondContact O-CD 3.48Å; N230-K233 WeakPolarHBondContact O-CE 3.25Å; T231-K233 PolarHBondContact O-N 3.16Å; K233-K235 PolarHBondContact O-N 2.73Å
234D66.6Low89Confident107 Ų10772.4 Ų72.457%0.57236%0.362SS*.  trans-71.9109.5164.5-60.7-41.4000106.1
235K53.9Low88.5Confident246 Ų24677.5 Ų77.5100%1.0739%0.39SS*.  trans-104.10171.5-74.6-170179.4-175.30108.1K233K233-K235 PolarHBondContact O-N 2.73Å

Retrieved 235 of 235 residues in 41.3 ms (Link to these results)

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