A0A077ZC89_TRITR Loading...

DUF7107 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZC89, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 343 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
1M41.6Very low37.2Very low218 Ų218149.4 Ų149.4100%1.07482%0.823SS**  0107.30-72.482.7173.400108.3Y3M1-Y3 HydrophobicContact CB-CE2 4.48Å
2S38.8Very low36.9Very low120 Ų120148.4 Ų148.484%0.83983%0.829SS**  trans-77.7117.1172.8-64.70000109.6
3Y38.4Very low36.4Very low216 Ų216148.1 Ų148.185%0.84782%0.823SS**  trans-9389.8165.7-83-86.5000108.5M1 L5M1-Y3 HydrophobicContact CB-CE2 4.48Å; Y3-L5 PolarHBondContact O-N 3.3Å
4C36.1Very low36Very low115 Ų115144.6 Ų144.678%0.77781%0.81SS**  trans-79.3106.6162.8-760000108.3K6C4-K6 PolarHBondContact O-N 3.25Å; C4-K6 VanDerWaalsContact O-N 3.1Å
5L38.2Very low35.7Very low153 Ų153149.5 Ų149.580%0.80181%0.813SS**  trans-69.9101.3167.8-82.5157.1000108.8Y3 F7Y3-L5 PolarHBondContact O-N 3.3Å; L5-F7 PolarHBondContact O-N 3.02Å
6K34.5Very low35.3Very low194 Ų194147.8 Ų147.884%0.84381%0.808SS**  trans-70114.5165.5-73.6178.8176.6179.40108.4C4C4-K6 PolarHBondContact O-N 3.25Å; C4-K6 VanDerWaalsContact O-N 3.1Å
7F37.5Very low35.1Very low180 Ų180145.7 Ų145.779%0.78980%0.802SS**  trans-92.799.9161-91.5-88.4000108.6L5L5-F7 PolarHBondContact O-N 3.02Å
8S34.8Very low35.6Very low107 Ų107146.1 Ų146.175%0.74880%0.801SS**  trans-77.9128.3167.944.90000109.8D10S8-D10 PolarHBondContact O-N 3.09Å; S8-D10 VanDerWaalsContact O-N 3.13Å
9A40.4Very low35.8Very low95 Ų95142.2 Ų142.279%0.78580%0.798SS**SBendtrans-82.674.2-177.600000111.5
10D35.4Very low36.7Very low165 Ų165144.2 Ų144.288%0.88280%0.798SS**  trans-161.965.3167.9-83-55.9000110.8S8S8-D10 PolarHBondContact O-N 3.09Å; S8-D10 VanDerWaalsContact O-N 3.13Å
11A33.7Very low37.7Very low80 Ų80142.3 Ų142.366%0.66179%0.79SS**SBendtrans-163.9132.8158.800000109.8L13A11-L13 PolarHBondContact O-N 3.02Å
12P33.1Very low39.1Very low138 Ų138136.6 Ų136.690%0.89677%0.767SS**  trans-72.2114-174.828.9-31.3000110.2
13L31.2Very low41.1Very low144 Ų144137.7 Ų137.775%0.75475%0.754SS**  trans-78.1145.3178.9-82.4158.2000111.2A11A11-L13 PolarHBondContact O-N 3.02Å
14P31.1Very low43.5Very low99 Ų99132.2 Ų132.264%0.64375%0.748SS**  trans-75.7146.4-162.532-35.2000112.2V16P14-V16 PolarHBondContact O-N 2.82Å
15Y30.6Very low46.2Very low218 Ų218127.1 Ų127.186%0.85571%0.713SS**  trans-52.995.5167.7-88-102.5000110.8T17Y15-T17 HydrophobicContact CD1-CG2 4.29Å; Y15-T17 PolarHBondContact O-N 3.26Å
16V30.4Very low48.6Very low122 Ų122129 Ų12974%0.73972%0.715SS**  trans-81.884.9156.8-177.10000105.9P14 L18P14-V16 PolarHBondContact O-N 2.82Å; V16-L18 PolarHBondContact O-N 2.9Å
17T31.9Very low51.3Low113 Ų113123.2 Ų123.269%0.69370%0.696SS**  trans-6488.2163.143.40000107.7Y15 G19Y15-T17 HydrophobicContact CD1-CG2 4.29Å; Y15-T17 PolarHBondContact O-N 3.26Å; T17-G19 PolarHBondContact O-N 3.04Å
18L43.8Very low53.7Low152 Ų152117.4 Ų117.480%0.79667%0.671SS**  trans-48.9111.8158.1-83.4151.5000106.6V16 K20V16-L18 PolarHBondContact O-N 2.9Å; L18-K20 PolarHBondContact O-N 3.14Å
19G38.6Very low56.1Low72 Ų72121.3 Ų121.374%0.74268%0.678SS**  trans-56.8100177.700000108.8T17 V21T17-G19 PolarHBondContact O-N 3.04Å; G19-V21 PolarHBondContact O-N 2.87Å
20K53.7Low58.4Low182 Ų182121 Ų12179%0.79166%0.66SS**  trans-57.8111.8170.9-75.8-177.7176.3177.80105.8L18 V22L18-K20 PolarHBondContact O-N 3.14Å; K20-V22 VanDerWaalsContact C-N 3.33Å; K20-V22 WeakPolarHBondContact O-CG2 3.43Å; K20-V22 PolarHBondContact O-N 3.35Å
21V58.2Low61Low105 Ų105113.3 Ų113.364%0.63662%0.619SS**  trans-62.9103.7166.6178.80000105.6G19 Y23G19-V21 PolarHBondContact O-N 2.87Å; V21-Y23 HydrophobicContact CB-CE2 4Å; V21-Y23 HydrophobicContact CG1-CD1 4.45Å; V21-Y23 HydrophobicContact CG1-CD2 4.11Å; V21-Y23 HydrophobicContact CG1-CE1 4Å; V21-Y23 HydrophobicContact CG1-CE2 3.61Å; V21-Y23 WeakPolarHBondContact O-CD2 3.41Å; V21-Y23 PolarHBondContact O-N 2.91Å
22V70.8Confident63.5Low98 Ų98113.9 Ų113.959%0.59462%0.616SS**  trans-82102.8178.1-178.80000106.7K20 S24 V41K20-V22 VanDerWaalsContact C-N 3.33Å; K20-V22 WeakPolarHBondContact O-CG2 3.43Å; K20-V22 PolarHBondContact O-N 3.35Å; V22-S24 PolarHBondContact O-N 2.85Å; V22-V41 HydrophobicContact CG1-CB 4.33Å; V22-V41 HydrophobicContact CG1-CG1 3.42Å; V22-V41 VanDerWaalsContact CG1-CG1 3.42Å; V22-V41 HydrophobicContact CG1-CG2 3.93Å
23Y81.9Confident66Low143 Ų143109.7 Ų109.756%0.56160%0.597SS**  trans-76.4115.2174.2-67.8-85000108.9V21 V41 C42V21-Y23 HydrophobicContact CB-CE2 4Å; V21-Y23 HydrophobicContact CG1-CD1 4.45Å; V21-Y23 HydrophobicContact CG1-CD2 4.11Å; V21-Y23 HydrophobicContact CG1-CE1 4Å; V21-Y23 HydrophobicContact CG1-CE2 3.61Å; V21-Y23 WeakPolarHBondContact O-CD2 3.41Å; V21-Y23 PolarHBondContact O-N 2.91Å; Y23-V41 WeakPolarHBondContact O-CA 3.19Å; Y23-C42 PolarHBondContact O-N 3.16Å
24S88.6Confident68.7Low102 Ų102108.6 Ų108.671%0.71359%0.592SS**BIsolated β-bridgetrans-71.3140.6167.557.10000109.6V22 G40V22-S24 PolarHBondContact O-N 2.85Å; S24-G40 CarbonylContact C-O 3.48Å; S24-G40 VanDerWaalsContact CA-O 3.29Å; S24-G40 WeakPolarHBondContact CA-O 3.29Å
25C91.5Very high71.6Confident8 Ų8104.8 Ų104.85%0.05457%0.567CS.*  trans-136.7154.4177.756.90000110.8E30 C31 C37 G40 V41C25-E30 VanDerWaalsContact CA-OE2 3.23Å; C25-E30 WeakPolarHBondContact CA-OE2 3.37Å; C25-E30 HydrophobicContact CB-CB 4.02Å; C25-C31 VanDerWaalsContact SG-SG 3.69Å; C25-C37 VanDerWaalsContact C-SG 3.53Å; C25-C37 HydrophobicContact CB-CB 3.77Å; C25-C37 WeakPolarHBondContact CB-SG 3.14Å; C25-C37 WeakPolarHBondContact SG-CA 3.34Å; C25-C37 WeakPolarHBondContact SG-CB 3.19Å; C25-C37 CovalentContact SG-SG 2.02Å; C25-C37 PolarHBondContact SG-SG 2.88Å; C25-G40 PolarHBondContact N-O 2.94Å; C25-G40 CarbonylContact O-C 3.56Å; C25-G40 WeakPolarHBondContact O-CA 3.41Å; C25-V41 PolarHBondContact SG-N 2.03Å
26K89.6Confident74.4Confident192 Ų19294.5 Ų94.584%0.83553%0.527SS*.SBendtrans-110-32.7167.5-63.5179.9-178.7176.70112E30K26-E30 WeakPolarHBondContact CB-OE1 3.33Å; K26-E30 VanDerWaalsContact N-CD 3.33Å; K26-E30 PolarHBondContact N-OE1 2.83Å; K26-E30 PolarHBondContact N-OE2 3.46Å
27T90Very high77.3Confident72 Ų7289.5 Ų89.544%0.44250%0.497SS..SBendtrans-125.4164.1-177.667.10000111.2E29 E30 C37T27-E29 VanDerWaalsContact C-N 3.29Å; T27-E29 PolarHBondContact O-N 2.84Å; T27-E30 WeakPolarHBondContact CB-OE1 3.37Å; T27-E30 PolarHBondContact N-OE1 2.82Å; T27-E30 PolarHBondContact O-N 3.11Å; T27-E30 PolarHBondContact OG1-OE1 3.36Å; T27-C37 WeakPolarHBondContact O-CB 3.36Å
28Q88.2Confident80.1Confident59 Ų5985.9 Ų85.928%0.27647%0.471SS..G310 helixtrans-68.5-27.2-178.5-62.7-56.4-24.500113.4E30 C31 C37 I67Q28-E30 VanDerWaalsContact C-N 3.26Å; Q28-E30 PolarHBondContact O-N 3.4Å; Q28-C31 PolarHBondContact O-N 3.43Å; Q28-C37 PolarHBondContact NE2-O 3.11Å; Q28-I67 HydrophobicContact CB-CD1 4.36Å; Q28-I67 HydrophobicContact CG-CD1 3.92Å
29E86.4Confident82.3Confident189 Ų18986.6 Ų86.688%0.88347%0.468SS*.G310 helixtrans-72-20.7-177.7-61.8-178.7169.600112.8T27 C31T27-E29 VanDerWaalsContact C-N 3.29Å; T27-E29 PolarHBondContact O-N 2.84Å; E29-C31 PolarHBondContact O-N 3.4Å
30E88.3Confident84.7Confident89 Ų8984.7 Ų84.742%0.41645%0.449SS..G310 helixtrans-71.8-14.3177.9-69.5164.3-122.600113.1C25 K26 T27 Q28 P32C25-E30 VanDerWaalsContact CA-OE2 3.23Å; C25-E30 WeakPolarHBondContact CA-OE2 3.37Å; C25-E30 HydrophobicContact CB-CB 4.02Å; K26-E30 WeakPolarHBondContact CB-OE1 3.33Å; K26-E30 VanDerWaalsContact N-CD 3.33Å; K26-E30 PolarHBondContact N-OE1 2.83Å; K26-E30 PolarHBondContact N-OE2 3.46Å; T27-E30 WeakPolarHBondContact CB-OE1 3.37Å; T27-E30 PolarHBondContact N-OE1 2.82Å; T27-E30 PolarHBondContact O-N 3.11Å; T27-E30 PolarHBondContact OG1-OE1 3.36Å; Q28-E30 VanDerWaalsContact C-N 3.26Å; Q28-E30 PolarHBondContact O-N 3.4Å; E30-P32 WeakPolarHBondContact O-CD 3.48Å
31C88.7Confident86.5Confident3 Ų378.3 Ų78.32%0.0243%0.425CS..SBendtrans-100.4107.7-174.9-64.60000111.6C25 Q28 E29 S35 M36 C37 C42 K69C25-C31 VanDerWaalsContact SG-SG 3.69Å; Q28-C31 PolarHBondContact O-N 3.43Å; E29-C31 PolarHBondContact O-N 3.4Å; C31-S35 WeakPolarHBondContact CB-OG 3.41Å; C31-M36 VanDerWaalsContact SG-C 3.59Å; C31-C37 PolarHBondContact SG-N 3.18Å; C31-C37 VanDerWaalsContact SG-N 3.42Å; C31-C42 WeakPolarHBondContact CA-SG 2.99Å; C31-C42 HydrophobicContact CB-CB 3.79Å; C31-C42 WeakPolarHBondContact CB-SG 2.91Å; C31-C42 WeakPolarHBondContact SG-CA 3.22Å; C31-C42 WeakPolarHBondContact SG-CB 3.16Å; C31-C42 CovalentContact SG-SG 2.04Å; C31-C42 PolarHBondContact SG-SG 3.44Å; C31-K69 PolarHBondContact O-NZ 3.06Å
32P86Confident88.1Confident92 Ų9274.3 Ų74.360%0.59740%0.401SS*.  trans-73.1154.7-174.129.9-35.5000112.6E30 S35E30-P32 WeakPolarHBondContact O-CD 3.48Å; P32-S35 PolarHBondContact O-N 3.3Å; P32-S35 PolarHBondContact O-OG 3.33Å
33G86.8Confident89.1Confident49 Ų4970.8 Ų70.851%0.50538%0.38SS..SBendtrans59.1-141.5176.400000113.4S35 K69 F70G33-S35 PolarHBondContact O-N 2.87Å; G33-K69 PolarHBondContact O-NZ 2.91Å; G33-F70 WeakPolarHBondContact O-CZ 3.17Å
34L88Confident89.6Confident121 Ų12168.2 Ų68.263%0.63438%0.381SS*.SBendtrans-82.944.8179.4-67.9167.4000112.4A45 F70 M74L34-A45 PolarHBondContact O-N 3.02Å; L34-F70 HydrophobicContact CD2-CD2 4.15Å; L34-F70 HydrophobicContact CD2-CE2 3.9Å; L34-M74 HydrophobicContact CD2-CE 4.44Å
35S90.7Very high89.7Confident19 Ų1963.7 Ų63.713%0.13335%0.349CS..EExtended strand (participates in β ladder)trans-121.2158.9172.767.40000111.4C31 P32 G33 V43 K69C31-S35 WeakPolarHBondContact CB-OG 3.41Å; P32-S35 PolarHBondContact O-N 3.3Å; P32-S35 PolarHBondContact O-OG 3.33Å; G33-S35 PolarHBondContact O-N 2.87Å; S35-V43 CarbonylContact C-O 3.57Å; S35-V43 WeakPolarHBondContact CA-O 3.38Å; S35-V43 WeakPolarHBondContact CB-O 3.29Å; S35-K69 PolarHBondContact O-NZ 3.25Å
36M90.7Very high89.7Confident3 Ų365.3 Ų65.32%0.01536%0.359CS..EExtended strand (participates in β ladder)trans-136.4155.5176.371.9169.16800111C31 Y38 C42 V43 A45 I67 M74 I75 P76C31-M36 VanDerWaalsContact SG-C 3.59Å; M36-Y38 PolarHBondContact O-N 3.02Å; M36-C42 CarbonylContact O-C 3.43Å; M36-C42 WeakPolarHBondContact O-CA 3.48Å; M36-V43 HydrophobicContact CG-CG2 4.09Å; M36-V43 PolarHBondContact N-O 3.17Å; M36-V43 PolarHBondContact O-N 3.33Å; M36-A45 HydrophobicContact CB-CB 4.14Å; M36-A45 HydrophobicContact CE-CB 3.33Å; M36-A45 HydrophobicContact CG-CB 3.96Å; M36-A45 HydrophobicContact SD-CB 4.43Å; M36-I67 HydrophobicContact CB-CD1 3.72Å; M36-I67 HydrophobicContact CE-CD1 4.18Å; M36-I67 HydrophobicContact CE-CG1 3.87Å; M36-I67 HydrophobicContact SD-CD1 4.25Å; M36-I67 HydrophobicContact SD-CG1 4.23Å; M36-M74 VanDerWaalsContact CE-C 3.45Å; M36-M74 HydrophobicContact CE-CB 3.55Å; M36-M74 WeakPolarHBondContact CE-O 3.33Å; M36-I75 VanDerWaalsContact CE-C 3.46Å; M36-P76 HydrophobicContact CG-CG 4.34Å; M36-P76 WeakPolarHBondContact SD-CD 3.43Å; M36-P76 HydrophobicContact SD-CG 3.62Å
37C90.6Very high89.8Confident16 Ų1658.2 Ų58.211%0.10833%0.333CS..EExtended strand (participates in β ladder)trans-78.8108.7176.2-167.80000110.4C25 T27 Q28 C31C25-C37 VanDerWaalsContact C-SG 3.53Å; C25-C37 HydrophobicContact CB-CB 3.77Å; C25-C37 WeakPolarHBondContact CB-SG 3.14Å; C25-C37 WeakPolarHBondContact SG-CA 3.34Å; C25-C37 WeakPolarHBondContact SG-CB 3.19Å; C25-C37 CovalentContact SG-SG 2.02Å; C25-C37 PolarHBondContact SG-SG 2.88Å; T27-C37 WeakPolarHBondContact O-CB 3.36Å; Q28-C37 PolarHBondContact NE2-O 3.11Å; C31-C37 PolarHBondContact SG-N 3.18Å; C31-C37 VanDerWaalsContact SG-N 3.42Å
38Y91.5Very high89.6Confident38 Ų3855.1 Ų55.115%0.14931%0.314CS..EExtended strand (participates in β ladder)trans-123.8122.1176.6-179.1-111.1000109.7M36 G40 V41 V43 Y65 P76 L79M36-Y38 PolarHBondContact O-N 3.02Å; Y38-G40 PolarHBondContact O-N 3.31Å; Y38-G40 VanDerWaalsContact O-N 3.15Å; Y38-V41 PolarHBondContact N-O 3.08Å; Y38-V41 PolarHBondContact O-N 3.38Å; Y38-V41 VanDerWaalsContact O-O 3.06Å; Y38-V43 HydrophobicContact CG-CG2 4.36Å; Y38-Y65 HydrophobicContact CD2-CD1 4.29Å; Y38-Y65 HydrophobicContact CD2-CG 4.2Å; Y38-Y65 AromaticContact CE2-CD1 3.78Å; Y38-Y65 HydrophobicContact CE2-CD1 3.78Å; Y38-Y65 AromaticContact CE2-CD2 3.78Å; Y38-Y65 HydrophobicContact CE2-CD2 3.78Å; Y38-Y65 HydrophobicContact CE2-CE1 4.15Å; Y38-Y65 HydrophobicContact CE2-CE2 4.14Å; Y38-Y65 AromaticContact CE2-CG 3.57Å; Y38-Y65 HydrophobicContact CE2-CG 3.57Å; Y38-P76 HydrophobicContact CD2-CG 4.03Å; Y38-P76 HydrophobicContact CG-CG 4.03Å; Y38-L79 HydrophobicContact CE2-CD1 3.96Å
39K88.8Confident89.3Confident166 Ų16656.8 Ų56.872%0.72233%0.329SS*.THydrogen-bonded Turntrans50.737-176.8-65.8177.5173.21630113.5V41K39-V41 VanDerWaalsContact C-N 3.34Å
40G89.2Confident89.1Confident33 Ų3352.6 Ų52.634%0.3431%0.313SS..THydrogen-bonded Turntrans79.212.6178.200000115S24 C25 Y38S24-G40 CarbonylContact C-O 3.48Å; S24-G40 VanDerWaalsContact CA-O 3.29Å; S24-G40 WeakPolarHBondContact CA-O 3.29Å; C25-G40 PolarHBondContact N-O 2.94Å; C25-G40 CarbonylContact O-C 3.56Å; C25-G40 WeakPolarHBondContact O-CA 3.41Å; Y38-G40 PolarHBondContact O-N 3.31Å; Y38-G40 VanDerWaalsContact O-N 3.15Å
41V92.2Very high88.9Confident47 Ų4755.5 Ų55.529%0.28532%0.321SS..EExtended strand (participates in β ladder)trans-129.5138.4177.7175.60000110.1V22 Y23 C25 Y38 K39 V43V22-V41 HydrophobicContact CG1-CB 4.33Å; V22-V41 HydrophobicContact CG1-CG1 3.42Å; V22-V41 VanDerWaalsContact CG1-CG1 3.42Å; V22-V41 HydrophobicContact CG1-CG2 3.93Å; Y23-V41 WeakPolarHBondContact O-CA 3.19Å; C25-V41 PolarHBondContact SG-N 2.03Å; Y38-V41 PolarHBondContact N-O 3.08Å; Y38-V41 PolarHBondContact O-N 3.38Å; Y38-V41 VanDerWaalsContact O-O 3.06Å; K39-V41 VanDerWaalsContact C-N 3.34Å; V41-V43 HydrophobicContact CG1-CG1 4.29Å; V41-V43 PolarHBondContact O-N 2.73Å
42C92.2Very high88.9Confident22 Ų2259.8 Ų59.815%0.14934%0.34CS..EExtended strand (participates in β ladder)trans-72115171.4-61.70000110.3Y23 C31 M36Y23-C42 PolarHBondContact O-N 3.16Å; C31-C42 WeakPolarHBondContact CA-SG 2.99Å; C31-C42 HydrophobicContact CB-CB 3.79Å; C31-C42 WeakPolarHBondContact CB-SG 2.91Å; C31-C42 WeakPolarHBondContact SG-CA 3.22Å; C31-C42 WeakPolarHBondContact SG-CB 3.16Å; C31-C42 CovalentContact SG-SG 2.04Å; C31-C42 PolarHBondContact SG-SG 3.44Å; M36-C42 CarbonylContact O-C 3.43Å; M36-C42 WeakPolarHBondContact O-CA 3.48Å
43V91.9Very high89.1Confident24 Ų2462.2 Ų62.215%0.14535%0.345CS..EExtended strand (participates in β ladder)trans-115.5151.3178.1-58.80000110.6S35 M36 Y38 V41 A45 P76S35-V43 CarbonylContact C-O 3.57Å; S35-V43 WeakPolarHBondContact CA-O 3.38Å; S35-V43 WeakPolarHBondContact CB-O 3.29Å; M36-V43 HydrophobicContact CG-CG2 4.09Å; M36-V43 PolarHBondContact N-O 3.17Å; M36-V43 PolarHBondContact O-N 3.33Å; Y38-V43 HydrophobicContact CG-CG2 4.36Å; V41-V43 HydrophobicContact CG1-CG1 4.29Å; V41-V43 PolarHBondContact O-N 2.73Å; V43-A45 PolarHBondContact O-N 2.77Å; V43-P76 HydrophobicContact CG2-CB 3.92Å; V43-P76 HydrophobicContact CG2-CG 4.22Å
44P91.6Very high89.3Confident88 Ų8860.2 Ų60.257%0.57132%0.323SS*.EExtended strand (participates in β ladder)trans-57.2135.6173.2-24.234.5000112.1Y77P44-Y77 PolarHBondContact O-N 3.33Å
45A91.7Very high89.4Confident7 Ų760.2 Ų60.26%0.05833%0.328CS..EExtended strand (participates in β ladder)trans-121.7144.7-17800000110.6L34 M36 V43 M74 I75L34-A45 PolarHBondContact O-N 3.02Å; M36-A45 HydrophobicContact CB-CB 4.14Å; M36-A45 HydrophobicContact CE-CB 3.33Å; M36-A45 HydrophobicContact CG-CB 3.96Å; M36-A45 HydrophobicContact SD-CB 4.43Å; V43-A45 PolarHBondContact O-N 2.77Å; A45-M74 HydrophobicContact CB-CB 4.38Å; A45-I75 WeakPolarHBondContact CA-O 3.43Å
46V91.3Very high89.3Confident43 Ų4362.4 Ų62.426%0.26134%0.338SS..EExtended strand (participates in β ladder)trans-134.5161172.8-58.70000111.2M74 I75 Y77 I80V46-M74 CarbonylContact O-C 3.51Å; V46-M74 VanDerWaalsContact O-CA 3.3Å; V46-M74 WeakPolarHBondContact O-CA 3.3Å; V46-I75 HydrophobicContact CG2-CG2 4.44Å; V46-I75 PolarHBondContact N-O 3.33Å; V46-I75 PolarHBondContact O-N 3.43Å; V46-Y77 HydrophobicContact CG1-CD2 3.9Å; V46-Y77 HydrophobicContact CG2-CD2 4.29Å; V46-I80 HydrophobicContact CG2-CD1 3.21Å; V46-I80 HydrophobicContact CG2-CG1 3.87Å
47P91.4Very high89.3Confident43 Ų4365.8 Ų65.828%0.27936%0.356SS..EExtended strand (participates in β ladder)trans-58.8142.3173.3-23.734.1000111.5Y51 M74P47-Y51 HydrophobicContact CB-CD2 3.66Å; P47-Y51 HydrophobicContact CB-CE2 3.49Å; P47-Y51 VanDerWaalsContact CB-CE2 3.49Å; P47-Y51 HydrophobicContact CG-CD2 4.38Å; P47-Y51 HydrophobicContact CG-CE2 3.7Å; P47-M74 VanDerWaalsContact CA-SD 3.52Å; P47-M74 HydrophobicContact CB-SD 4.12Å; P47-M74 HydrophobicContact CG-CE 4.09Å; P47-M74 HydrophobicContact CG-SD 3.75Å
48T85.9Confident89.2Confident7 Ų769.8 Ų69.84%0.04339%0.385CS..  trans-55.8149171.450.90000111N50 Y51 E66 C73 I75T48-N50 PolarHBondContact O-N 3.41Å; T48-N50 VanDerWaalsContact O-N 3.11Å; T48-Y51 WeakPolarHBondContact O-CA 3.42Å; T48-Y51 PolarHBondContact O-N 2.96Å; T48-E66 HydrophobicContact CG2-CG 3.79Å; T48-E66 WeakPolarHBondContact CG2-OE1 3.49Å; T48-C73 HydrophobicContact CG2-CB 4.08Å; T48-C73 VanDerWaalsContact CG2-O 3.31Å; T48-C73 WeakPolarHBondContact CG2-O 3.45Å; T48-C73 PolarHBondContact N-O 3.12Å; T48-C73 PolarHBondContact OG1-O 3.1Å; T48-I75 HydrophobicContact CG2-CB 4.29Å; T48-I75 HydrophobicContact CG2-CG2 4.37Å
49P81.4Confident89.1Confident93 Ų9371.1 Ų71.160%0.60439%0.392SS*.THydrogen-bonded Turntrans-56.4-30.3-179.4-28.135.3000114.6Y51 I80P49-Y51 PolarHBondContact O-N 3.27Å; P49-I80 HydrophobicContact CG-CG2 4.04Å
50N81.5Confident89.2Confident102 Ų10263.5 Ų63.555%0.54536%0.36SS..THydrogen-bonded Turntrans-80.1-3.4176.9-67.1-24.7000113.3T48 K52 T88T48-N50 PolarHBondContact O-N 3.41Å; T48-N50 VanDerWaalsContact O-N 3.11Å; N50-K52 PolarHBondContact O-N 2.04Å; N50-K52 VanDerWaalsContact O-N 3.17Å; N50-T88 PolarHBondContact ND2-OG1 2.04Å
51Y84.4Confident89.2Confident149 Ų14965.2 Ų65.258%0.58436%0.359SS*.  trans4941.8179.8-141-95000113.2P47 T48 P49 M53P47-Y51 HydrophobicContact CB-CD2 3.66Å; P47-Y51 HydrophobicContact CB-CE2 3.49Å; P47-Y51 VanDerWaalsContact CB-CE2 3.49Å; P47-Y51 HydrophobicContact CG-CD2 4.38Å; P47-Y51 HydrophobicContact CG-CE2 3.7Å; T48-Y51 WeakPolarHBondContact O-CA 3.42Å; T48-Y51 PolarHBondContact O-N 2.96Å; P49-Y51 PolarHBondContact O-N 3.27Å; Y51-M53 PolarHBondContact O-N 2.72Å
52K88.4Confident88.8Confident93 Ų9367.3 Ų67.340%0.40437%0.372SS..  trans-65.2121.7-176.6-170.7-179.3-173.1-175.50109.5N50 E59 A72 C73N50-K52 PolarHBondContact O-N 2.04Å; N50-K52 VanDerWaalsContact O-N 3.17Å; K52-E59 WeakPolarHBondContact CE-O 3.5Å; K52-E59 PolarHBondContact NZ-O 2.96Å; K52-A72 WeakPolarHBondContact O-CA 2.87Å; K52-C73 HydrophobicContact CB-CB 4.28Å; K52-C73 PolarHBondContact O-N 3.28Å
53M90.4Very high88.4Confident144 Ų14472.5 Ų72.571%0.70940%0.398SS*.BIsolated β-bridgetrans-76.3148.8172.2-67.5-164.7158.900110.4Y51 G71Y51-M53 PolarHBondContact O-N 2.72Å; M53-G71 WeakPolarHBondContact CA-O 3.45Å
54C90.6Very high88Confident7 Ų772.5 Ų72.55%0.04740%0.395CS..  trans-147.4155.4-177.960.80000111.2E59 C68 G71 A72 C73C54-E59 VanDerWaalsContact CA-OE2 3.28Å; C54-E59 WeakPolarHBondContact CA-OE2 3.45Å; C54-E59 HydrophobicContact CB-CB 3.88Å; C54-C68 HydrophobicContact CB-CB 3.79Å; C54-C68 WeakPolarHBondContact CB-SG 3.37Å; C54-C68 PolarHBondContact O-SG 2.85Å; C54-C68 WeakPolarHBondContact SG-CA 3.02Å; C54-C68 WeakPolarHBondContact SG-CB 3.37Å; C54-C68 CovalentContact SG-SG 2.03Å; C54-C68 PolarHBondContact SG-SG 2.76Å; C54-G71 PolarHBondContact N-O 2.82Å; C54-G71 CarbonylContact O-C 3.21Å; C54-G71 WeakPolarHBondContact O-CA 3.47Å; C54-A72 PolarHBondContact SG-O 3.03Å; C54-C73 PolarHBondContact SG-N 3.17Å
55T90.6Very high87.9Confident121 Ų12174.1 Ų74.174%0.74239%0.391SS*.SBendtrans-108.9-16.3166.472.40000113.2E59T55-E59 WeakPolarHBondContact CB-OE1 3.44Å; T55-E59 VanDerWaalsContact N-CD 3.34Å; T55-E59 PolarHBondContact N-OE1 3.22Å; T55-E59 PolarHBondContact N-OE2 3.43Å; T55-E59 PolarHBondContact OG1-OE1 3.31Å
56N90Very high87.9Confident64 Ų6474.3 Ų74.334%0.34239%0.391SS..SBendtrans-154163.6178.261.775.1000110.8S58 E59 C68N56-S58 PolarHBondContact O-N 2.02Å; N56-S58 VanDerWaalsContact O-N 3.17Å; N56-S58 WeakPolarHBondContact OD1-CB 3Å; N56-S58 PolarHBondContact OD1-N 3.22Å; N56-S58 VanDerWaalsContact OD1-N 3.08Å; N56-S58 PolarHBondContact OD1-OG 2.67Å; N56-E59 PolarHBondContact ND2-OE1 3.45Å; N56-E59 WeakPolarHBondContact O-CB 3.04Å; N56-E59 PolarHBondContact O-N 3.34Å; N56-E59 VanDerWaalsContact O-N 3.13Å; N56-E59 PolarHBondContact OD1-N 2.98Å; N56-C68 WeakPolarHBondContact O-CB 2.93Å
57D89.5Confident87.9Confident74 Ų7473 Ų7340%0.39638%0.382SS..G310 helixtrans-60.1-28.1-175.3-66.8-9.9000113.8E59 C60 C68D57-E59 PolarHBondContact O-N 2.81Å; D57-C60 WeakPolarHBondContact O-CB 3.46Å; D57-C60 PolarHBondContact O-N 3.4Å; D57-C68 WeakPolarHBondContact OD1-CA 2.99Å; D57-C68 WeakPolarHBondContact OD1-CB 3.03Å; D57-C68 PolarHBondContact OD1-N 2.86Å
58S88.9Confident88Confident100 Ų10072 Ų7270%0.69938%0.376SS*.G310 helixtrans-71.6-15.8-178.875.50000113.5N56 C60N56-S58 PolarHBondContact O-N 2.02Å; N56-S58 VanDerWaalsContact O-N 3.17Å; N56-S58 WeakPolarHBondContact OD1-CB 3Å; N56-S58 PolarHBondContact OD1-N 3.22Å; N56-S58 VanDerWaalsContact OD1-N 3.08Å; N56-S58 PolarHBondContact OD1-OG 2.67Å; S58-C60 VanDerWaalsContact C-N 3.26Å
59E89.5Confident88.2Confident66 Ų6673.5 Ų73.531%0.30838%0.382SS..G310 helixtrans-77.6-12.5169.7-67.4174.5-126.600112.5K52 C54 T55 N56 D57K52-E59 WeakPolarHBondContact CE-O 3.5Å; K52-E59 PolarHBondContact NZ-O 2.96Å; C54-E59 VanDerWaalsContact CA-OE2 3.28Å; C54-E59 WeakPolarHBondContact CA-OE2 3.45Å; C54-E59 HydrophobicContact CB-CB 3.88Å; T55-E59 WeakPolarHBondContact CB-OE1 3.44Å; T55-E59 VanDerWaalsContact N-CD 3.34Å; T55-E59 PolarHBondContact N-OE1 3.22Å; T55-E59 PolarHBondContact N-OE2 3.43Å; T55-E59 PolarHBondContact OG1-OE1 3.31Å; N56-E59 PolarHBondContact ND2-OE1 3.45Å; N56-E59 WeakPolarHBondContact O-CB 3.04Å; N56-E59 PolarHBondContact O-N 3.34Å; N56-E59 VanDerWaalsContact O-N 3.13Å; N56-E59 PolarHBondContact OD1-N 2.98Å; D57-E59 PolarHBondContact O-N 2.81Å
60C91.2Very high88.6Confident7 Ų775.6 Ų75.65%0.04738%0.382CS..SBendtrans-99.6164.3178.6-57.30000111.8D57 S58 V62 E66 C73D57-C60 WeakPolarHBondContact O-CB 3.46Å; D57-C60 PolarHBondContact O-N 3.4Å; S58-C60 VanDerWaalsContact C-N 3.26Å; C60-V62 VanDerWaalsContact C-N 3.32Å; C60-V62 PolarHBondContact O-N 3.47Å; C60-E66 HydrophobicContact CB-CB 3.78Å; C60-C73 WeakPolarHBondContact CA-SG 3.47Å; C60-C73 HydrophobicContact CB-CB 3.77Å; C60-C73 WeakPolarHBondContact CB-SG 3.01Å; C60-C73 WeakPolarHBondContact SG-CA 3.36Å; C60-C73 WeakPolarHBondContact SG-CB 3.35Å; C60-C73 CovalentContact SG-SG 2.04Å; C60-C73 PolarHBondContact SG-SG 2.86Å
61E88.2Confident89Confident69 Ų6972.5 Ų72.532%0.32237%0.374SS..  trans-76.587.4176.2-65.1-68.1167.400110.1N63 R64 E66 T88E61-N63 PolarHBondContact O-N 3.43Å; E61-N63 VanDerWaalsContact O-N 3.11Å; E61-R64 HydrophobicContact CB-CB 3.93Å; E61-R64 HydrophobicContact CB-CG 3.83Å; E61-R64 WeakPolarHBondContact O-CA 3.47Å; E61-R64 WeakPolarHBondContact O-CB 3.32Å; E61-R64 PolarHBondContact O-N 2.72Å; E61-E66 HydrophobicContact CB-CG 4.4Å; E61-E66 WeakPolarHBondContact CB-OE2 3.48Å; E61-E66 PolarHBondContact N-OE2 2.86Å; E61-E66 WeakPolarHBondContact O-CB 3.48Å; E61-E66 PolarHBondContact O-N 3.45Å; E61-T88 HydrophobicContact CG-CG2 4.16Å
62V84.2Confident89.4Confident90 Ų9065.8 Ų65.855%0.54535%0.35SS..G310 helixtrans-56.4-31.5178-174.60000111.3C60 R64 Y65C60-V62 VanDerWaalsContact C-N 3.32Å; C60-V62 PolarHBondContact O-N 3.47Å; V62-R64 PolarHBondContact O-N 2.67Å; V62-Y65 PolarHBondContact O-N 2.75Å
63N83.3Confident89.6Confident131 Ų13161.4 Ų61.470%0.70133%0.33SS*.G310 helixtrans-64.9-21.7175-64.7-40.6000113.5E61E61-N63 PolarHBondContact O-N 3.43Å; E61-N63 VanDerWaalsContact O-N 3.11Å
64R83.7Confident89.7Confident25 Ų2555 Ų559%0.09430%0.299CS..G310 helixtrans-93.87174.6-64.9-158.161.6-176.60.7113.2E61 V62 E66 L85E61-R64 HydrophobicContact CB-CB 3.93Å; E61-R64 HydrophobicContact CB-CG 3.83Å; E61-R64 WeakPolarHBondContact O-CA 3.47Å; E61-R64 WeakPolarHBondContact O-CB 3.32Å; E61-R64 PolarHBondContact O-N 2.72Å; V62-R64 PolarHBondContact O-N 2.67Å; R64-E66 HydrophobicContact CB-CG 3.86Å; R64-E66 WeakPolarHBondContact CD-OE1 3.32Å; R64-E66 IonicContact NE-OE1 2.9Å; R64-E66 PolarHBondContact O-N 2.99Å; R64-L85 HydrophobicContact CB-CD1 4.42Å; R64-L85 HydrophobicContact CB-CD2 3.74Å; R64-L85 HydrophobicContact CB-CG 4.05Å; R64-L85 HydrophobicContact CG-CD1 4.25Å; R64-L85 HydrophobicContact CG-CD2 3.89Å; R64-L85 HydrophobicContact CG-CG 3.69Å; R64-L85 VanDerWaalsContact NE-CG 3.34Å
65Y89.4Confident89.8Confident122 Ų12254.7 Ų54.748%0.47830%0.297SS..THydrogen-bonded Turntrans58.828.9-168.8-52.5-80.5000112.7Y38 V62 L79Y38-Y65 HydrophobicContact CD2-CD1 4.29Å; Y38-Y65 HydrophobicContact CD2-CG 4.2Å; Y38-Y65 AromaticContact CE2-CD1 3.78Å; Y38-Y65 HydrophobicContact CE2-CD1 3.78Å; Y38-Y65 AromaticContact CE2-CD2 3.78Å; Y38-Y65 HydrophobicContact CE2-CD2 3.78Å; Y38-Y65 HydrophobicContact CE2-CE1 4.15Å; Y38-Y65 HydrophobicContact CE2-CE2 4.14Å; Y38-Y65 AromaticContact CE2-CG 3.57Å; Y38-Y65 HydrophobicContact CE2-CG 3.57Å; V62-Y65 PolarHBondContact O-N 2.75Å; Y65-L79 HydrophobicContact CD2-CD1 3.86Å; Y65-L79 HydrophobicContact CG-CD1 4.44Å
66E92.4Very high89.9Confident10 Ų1049.1 Ų49.15%0.04726%0.263CS..  trans-79144.9172.3-63171.3-165.700110.3T48 C60 E61 R64 M74 I75T48-E66 HydrophobicContact CG2-CG 3.79Å; T48-E66 WeakPolarHBondContact CG2-OE1 3.49Å; C60-E66 HydrophobicContact CB-CB 3.78Å; E61-E66 HydrophobicContact CB-CG 4.4Å; E61-E66 WeakPolarHBondContact CB-OE2 3.48Å; E61-E66 PolarHBondContact N-OE2 2.86Å; E61-E66 WeakPolarHBondContact O-CB 3.48Å; E61-E66 PolarHBondContact O-N 3.45Å; R64-E66 HydrophobicContact CB-CG 3.86Å; R64-E66 WeakPolarHBondContact CD-OE1 3.32Å; R64-E66 IonicContact NE-OE1 2.9Å; R64-E66 PolarHBondContact O-N 2.99Å; E66-M74 WeakPolarHBondContact CA-O 3.29Å; E66-I75 HydrophobicContact CG-CB 4.18Å; E66-I75 HydrophobicContact CG-CD1 4.38Å; E66-I75 HydrophobicContact CG-CG1 4.35Å
67I91.4Very high89.7Confident15 Ų1553.1 Ų53.18%0.07727%0.274CS..EExtended strand (participates in β ladder)trans-133158.3174.963.4168.9000109.9Q28 M36 K69 C73 M74Q28-I67 HydrophobicContact CB-CD1 4.36Å; Q28-I67 HydrophobicContact CG-CD1 3.92Å; M36-I67 HydrophobicContact CB-CD1 3.72Å; M36-I67 HydrophobicContact CE-CD1 4.18Å; M36-I67 HydrophobicContact CE-CG1 3.87Å; M36-I67 HydrophobicContact SD-CD1 4.25Å; M36-I67 HydrophobicContact SD-CG1 4.23Å; I67-K69 HydrophobicContact CD1-CB 4.45Å; I67-K69 PolarHBondContact O-N 2.04Å; I67-C73 WeakPolarHBondContact O-CA 3.44Å; I67-M74 HydrophobicContact CG1-CB 4.46Å; I67-M74 PolarHBondContact N-O 3.26Å; I67-M74 PolarHBondContact O-N 2.79Å
68C92.6Very high89.4Confident24 Ų2457 Ų5716%0.16229%0.29CS..EExtended strand (participates in β ladder)trans-87107.6172.6-167.60000110.5C54 N56 D57C54-C68 HydrophobicContact CB-CB 3.79Å; C54-C68 WeakPolarHBondContact CB-SG 3.37Å; C54-C68 PolarHBondContact O-SG 2.85Å; C54-C68 WeakPolarHBondContact SG-CA 3.02Å; C54-C68 WeakPolarHBondContact SG-CB 3.37Å; C54-C68 CovalentContact SG-SG 2.03Å; C54-C68 PolarHBondContact SG-SG 2.76Å; N56-C68 WeakPolarHBondContact O-CB 2.93Å; D57-C68 WeakPolarHBondContact OD1-CA 2.99Å; D57-C68 WeakPolarHBondContact OD1-CB 3.03Å; D57-C68 PolarHBondContact OD1-N 2.86Å
69K90.8Very high89.3Confident37 Ų3753 Ų5316%0.16126%0.26CS..EExtended strand (participates in β ladder)trans-133134.9174.7-154.9-178.6-172.3-173.80109.3C31 G33 S35 I67 G71 A72 M74C31-K69 PolarHBondContact O-NZ 3.06Å; G33-K69 PolarHBondContact O-NZ 2.91Å; S35-K69 PolarHBondContact O-NZ 3.25Å; I67-K69 HydrophobicContact CD1-CB 4.45Å; I67-K69 PolarHBondContact O-N 2.04Å; K69-G71 PolarHBondContact O-N 3.03Å; K69-A72 PolarHBondContact N-O 2.84Å; K69-A72 PolarHBondContact O-N 2.79Å; K69-M74 HydrophobicContact CB-CG 3.86Å
70F88.9Confident88.8Confident137 Ų13751.6 Ų51.660%0.60126%0.255SS*.THydrogen-bonded Turntrans57.828.4-177.1-47.6-70.3000114.4G33 L34 A72 M74G33-F70 WeakPolarHBondContact O-CZ 3.17Å; L34-F70 HydrophobicContact CD2-CD2 4.15Å; L34-F70 HydrophobicContact CD2-CE2 3.9Å; F70-A72 VanDerWaalsContact C-N 3.3Å; F70-A72 PolarHBondContact O-N 3.12Å; F70-M74 HydrophobicContact CB-CE 4.31Å; F70-M74 HydrophobicContact CD2-CE 3.84Å
71G90.8Very high88.2Confident38 Ų3857.8 Ų57.839%0.39229%0.287SS..THydrogen-bonded Turntrans77.79179.200000115.2M53 C54 K69M53-G71 WeakPolarHBondContact CA-O 3.45Å; C54-G71 PolarHBondContact N-O 2.82Å; C54-G71 CarbonylContact O-C 3.21Å; C54-G71 WeakPolarHBondContact O-CA 3.47Å; K69-G71 PolarHBondContact O-N 3.03Å
72A91.9Very high87.6Confident8 Ų855.8 Ų55.87%0.06628%0.279CS..EExtended strand (participates in β ladder)trans-131.1149.317600000111.2K52 C54 K69 F70 M74K52-A72 WeakPolarHBondContact O-CA 2.87Å; C54-A72 PolarHBondContact SG-O 3.03Å; K69-A72 PolarHBondContact N-O 2.84Å; K69-A72 PolarHBondContact O-N 2.79Å; F70-A72 VanDerWaalsContact C-N 3.3Å; F70-A72 PolarHBondContact O-N 3.12Å; A72-M74 HydrophobicContact CB-CE 4.48Å; A72-M74 PolarHBondContact O-N 3.17Å
73C93.2Very high86.7Confident0 Ų057.5 Ų57.50%029%0.292CS..EExtended strand (participates in β ladder)trans-69.7112.8171.9-65.20000109T48 K52 C54 C60 I67T48-C73 HydrophobicContact CG2-CB 4.08Å; T48-C73 VanDerWaalsContact CG2-O 3.31Å; T48-C73 WeakPolarHBondContact CG2-O 3.45Å; T48-C73 PolarHBondContact N-O 3.12Å; T48-C73 PolarHBondContact OG1-O 3.1Å; K52-C73 HydrophobicContact CB-CB 4.28Å; K52-C73 PolarHBondContact O-N 3.28Å; C54-C73 PolarHBondContact SG-N 3.17Å; C60-C73 WeakPolarHBondContact CA-SG 3.47Å; C60-C73 HydrophobicContact CB-CB 3.77Å; C60-C73 WeakPolarHBondContact CB-SG 3.01Å; C60-C73 WeakPolarHBondContact SG-CA 3.36Å; C60-C73 WeakPolarHBondContact SG-CB 3.35Å; C60-C73 CovalentContact SG-SG 2.04Å; C60-C73 PolarHBondContact SG-SG 2.86Å; I67-C73 WeakPolarHBondContact O-CA 3.44Å
74M93.1Very high86.3Confident11 Ų1161.2 Ų61.25%0.05430%0.296CS..EExtended strand (participates in β ladder)trans-99.8147.8178.8-61.4-60.3-167.100109.8L34 M36 A45 V46 P47 E66 I67 K69 F70 A72L34-M74 HydrophobicContact CD2-CE 4.44Å; M36-M74 VanDerWaalsContact CE-C 3.45Å; M36-M74 HydrophobicContact CE-CB 3.55Å; M36-M74 WeakPolarHBondContact CE-O 3.33Å; A45-M74 HydrophobicContact CB-CB 4.38Å; V46-M74 CarbonylContact O-C 3.51Å; V46-M74 VanDerWaalsContact O-CA 3.3Å; V46-M74 WeakPolarHBondContact O-CA 3.3Å; P47-M74 VanDerWaalsContact CA-SD 3.52Å; P47-M74 HydrophobicContact CB-SD 4.12Å; P47-M74 HydrophobicContact CG-CE 4.09Å; P47-M74 HydrophobicContact CG-SD 3.75Å; E66-M74 WeakPolarHBondContact CA-O 3.29Å; I67-M74 HydrophobicContact CG1-CB 4.46Å; I67-M74 PolarHBondContact N-O 3.26Å; I67-M74 PolarHBondContact O-N 2.79Å; K69-M74 HydrophobicContact CB-CG 3.86Å; F70-M74 HydrophobicContact CB-CE 4.31Å; F70-M74 HydrophobicContact CD2-CE 3.84Å; A72-M74 HydrophobicContact CB-CE 4.48Å; A72-M74 PolarHBondContact O-N 3.17Å
75I92.6Very high85.5Confident0 Ų061 Ų610%030%0.297CS..EExtended strand (participates in β ladder)trans-130149.9174.9-168170.4000109.8M36 A45 V46 T48 E66 Y77 L79 I80 L85M36-I75 VanDerWaalsContact CE-C 3.46Å; A45-I75 WeakPolarHBondContact CA-O 3.43Å; V46-I75 HydrophobicContact CG2-CG2 4.44Å; V46-I75 PolarHBondContact N-O 3.33Å; V46-I75 PolarHBondContact O-N 3.43Å; T48-I75 HydrophobicContact CG2-CB 4.29Å; T48-I75 HydrophobicContact CG2-CG2 4.37Å; E66-I75 HydrophobicContact CG-CB 4.18Å; E66-I75 HydrophobicContact CG-CD1 4.38Å; E66-I75 HydrophobicContact CG-CG1 4.35Å; I75-Y77 PolarHBondContact O-N 3.45Å; I75-L79 HydrophobicContact CD1-CB 3.96Å; I75-L79 HydrophobicContact CG1-CB 4Å; I75-I80 HydrophobicContact CG2-CG1 3.8Å; I75-L85 HydrophobicContact CD1-CD2 4.09Å
76P91.5Very high84Confident3 Ų359.3 Ų59.32%0.01930%0.3CS..EExtended strand (participates in β ladder)trans-54.7134.2168.9-26.736.2000110.6M36 Y38 V43 E78 L79M36-P76 HydrophobicContact CG-CG 4.34Å; M36-P76 WeakPolarHBondContact SD-CD 3.43Å; M36-P76 HydrophobicContact SD-CG 3.62Å; Y38-P76 HydrophobicContact CD2-CG 4.03Å; Y38-P76 HydrophobicContact CG-CG 4.03Å; V43-P76 HydrophobicContact CG2-CB 3.92Å; V43-P76 HydrophobicContact CG2-CG 4.22Å; P76-E78 PolarHBondContact O-N 3.04Å; P76-E78 VanDerWaalsContact O-N 3.12Å; P76-L79 HydrophobicContact CB-CB 4.41Å; P76-L79 HydrophobicContact CB-CD1 4.12Å; P76-L79 HydrophobicContact CB-CG 4.09Å; P76-L79 HydrophobicContact CG-CD1 3.85Å; P76-L79 HydrophobicContact CG-CG 4.38Å; P76-L79 PolarHBondContact O-N 2.92Å
77Y86.6Confident82.4Confident148 Ų14864.6 Ų64.658%0.5833%0.334SS*.G310 helixtrans-54.4-37.3-177.7-179.2-97.3000112.4P44 V46 I75 L79 I80P44-Y77 PolarHBondContact O-N 3.33Å; V46-Y77 HydrophobicContact CG1-CD2 3.9Å; V46-Y77 HydrophobicContact CG2-CD2 4.29Å; I75-Y77 PolarHBondContact O-N 3.45Å; Y77-L79 PolarHBondContact O-N 2.98Å; Y77-I80 HydrophobicContact CD2-CD1 3.69Å; Y77-I80 HydrophobicContact CE2-CD1 4.12Å; Y77-I80 HydrophobicContact CG-CD1 4.33Å; Y77-I80 WeakPolarHBondContact O-CG1 2.89Å; Y77-I80 PolarHBondContact O-N 3.4Å
78E83.2Confident80.7Confident156 Ų15666.4 Ų66.473%0.72935%0.345SS*.G310 helixtrans-69.6-10.5179.5-59.1-176.4172.400114.2P76P76-E78 PolarHBondContact O-N 3.04Å; P76-E78 VanDerWaalsContact O-N 3.12Å
79L85.9Confident78.5Confident15 Ų1571.1 Ų71.18%0.07937%0.373CS..G310 helixtrans-107.2-2.2-179-63.4-177.1000114.2Y38 Y65 I75 P76 Y77 D81 D82 L85Y38-L79 HydrophobicContact CE2-CD1 3.96Å; Y65-L79 HydrophobicContact CD2-CD1 3.86Å; Y65-L79 HydrophobicContact CG-CD1 4.44Å; I75-L79 HydrophobicContact CD1-CB 3.96Å; I75-L79 HydrophobicContact CG1-CB 4Å; P76-L79 HydrophobicContact CB-CB 4.41Å; P76-L79 HydrophobicContact CB-CD1 4.12Å; P76-L79 HydrophobicContact CB-CG 4.09Å; P76-L79 HydrophobicContact CG-CD1 3.85Å; P76-L79 HydrophobicContact CG-CG 4.38Å; P76-L79 PolarHBondContact O-N 2.92Å; Y77-L79 PolarHBondContact O-N 2.98Å; L79-D81 VanDerWaalsContact C-N 3.31Å; L79-D81 PolarHBondContact O-N 2.68Å; L79-D82 HydrophobicContact CD2-CB 4.37Å; L79-D82 PolarHBondContact O-N 2.67Å; L79-L85 HydrophobicContact CB-CD2 4.49Å
80I80.1Confident76.3Confident38 Ų3873.6 Ų73.620%0.19539%0.393CS..THydrogen-bonded Turntrans-58.7-46.3-178.9-60.7167.4000110.6V46 P49 I75 Y77V46-I80 HydrophobicContact CG2-CD1 3.21Å; V46-I80 HydrophobicContact CG2-CG1 3.87Å; P49-I80 HydrophobicContact CG-CG2 4.04Å; I75-I80 HydrophobicContact CG2-CG1 3.8Å; Y77-I80 HydrophobicContact CD2-CD1 3.69Å; Y77-I80 HydrophobicContact CE2-CD1 4.12Å; Y77-I80 HydrophobicContact CG-CD1 4.33Å; Y77-I80 WeakPolarHBondContact O-CG1 2.89Å; Y77-I80 PolarHBondContact O-N 3.4Å
81D77.6Confident74Confident137 Ų13772 Ų7273%0.73340%0.397SS*.THydrogen-bonded Turntrans-102.711.7-174-58.1-62000113L79 P83L79-D81 VanDerWaalsContact C-N 3.31Å; L79-D81 PolarHBondContact O-N 2.68Å; D81-P83 WeakPolarHBondContact O-CD 3.47Å
82D75.6Confident71.6Confident27 Ų2776.3 Ų76.314%0.14442%0.418CS..  trans-69.4111.6-179.2-168.5-21000110.5L79 R84 L85L79-D82 HydrophobicContact CD2-CB 4.37Å; L79-D82 PolarHBondContact O-N 2.67Å; D82-R84 PolarHBondContact O-N 3.12Å; D82-R84 VanDerWaalsContact O-N 3.13Å; D82-R84 VanDerWaalsContact OD1-CB 3.27Å; D82-R84 WeakPolarHBondContact OD1-CB 3.12Å; D82-R84 WeakPolarHBondContact OD1-CG 3.04Å; D82-R84 IonicContact OD1-CZ 3.59Å; D82-R84 PolarHBondContact OD1-N 3.19Å; D82-R84 IonicContact OD1-NE 2.71Å; D82-R84 PolarHBondContact OD1-NE 2.93Å; D82-R84 IonicContact OD1-NH2 3.36Å; D82-R84 IonicContact OD2-CZ 2.91Å; D82-R84 IonicContact OD2-NE 3.72Å; D82-R84 PolarHBondContact OD2-NE 3.36Å; D82-R84 IonicContact OD2-NH2 2.73Å; D82-R84 PolarHBondContact OD2-NH2 3.28Å; D82-L85 WeakPolarHBondContact O-CB 3.29Å; D82-L85 PolarHBondContact O-N 2.66Å; D82-L85 VanDerWaalsContact O-N 3.16Å
83P66.9Low69Low125 Ų12581.3 Ų81.381%0.81245%0.453SS*.THydrogen-bonded Turntrans-68.9-13.8-176.5-15.430.6000113.4D81 L85D81-P83 WeakPolarHBondContact O-CD 3.47Å; P83-L85 PolarHBondContact O-N 3.42Å
84R73Confident66.5Low209 Ų20987.4 Ų87.479%0.78949%0.49SS*.THydrogen-bonded Turntrans-76.8-12.5178.5-59.9172.6-67.8-173.10.6112.1D82D82-R84 PolarHBondContact O-N 3.12Å; D82-R84 VanDerWaalsContact O-N 3.13Å; D82-R84 VanDerWaalsContact OD1-CB 3.27Å; D82-R84 WeakPolarHBondContact OD1-CB 3.12Å; D82-R84 WeakPolarHBondContact OD1-CG 3.04Å; D82-R84 IonicContact OD1-CZ 3.59Å; D82-R84 PolarHBondContact OD1-N 3.19Å; D82-R84 IonicContact OD1-NE 2.71Å; D82-R84 PolarHBondContact OD1-NE 2.93Å; D82-R84 IonicContact OD1-NH2 3.36Å; D82-R84 IonicContact OD2-CZ 2.91Å; D82-R84 IonicContact OD2-NE 3.72Å; D82-R84 PolarHBondContact OD2-NE 3.36Å; D82-R84 IonicContact OD2-NH2 2.73Å; D82-R84 PolarHBondContact OD2-NH2 3.28Å
85L67.1Low63.9Low22 Ų2292.7 Ų92.712%0.11553%0.525CS..SBendtrans-92.2132-176.8-146.857.1000109.5R64 I75 L79 D82 P83 T87R64-L85 HydrophobicContact CB-CD1 4.42Å; R64-L85 HydrophobicContact CB-CD2 3.74Å; R64-L85 HydrophobicContact CB-CG 4.05Å; R64-L85 HydrophobicContact CG-CD1 4.25Å; R64-L85 HydrophobicContact CG-CD2 3.89Å; R64-L85 HydrophobicContact CG-CG 3.69Å; R64-L85 VanDerWaalsContact NE-CG 3.34Å; I75-L85 HydrophobicContact CD1-CD2 4.09Å; L79-L85 HydrophobicContact CB-CD2 4.49Å; D82-L85 WeakPolarHBondContact O-CB 3.29Å; D82-L85 PolarHBondContact O-N 2.66Å; D82-L85 VanDerWaalsContact O-N 3.16Å; P83-L85 PolarHBondContact O-N 3.42Å; L85-T87 PolarHBondContact O-N 3.48Å
86P58.7Low61.5Low85 Ų8598.7 Ų98.755%0.55256%0.562SS**PPolyproline II helixtrans-60.2126.6-175.621.7-30.4000110.8
87T59Low59Low122 Ų122104.2 Ų104.275%0.74860%0.597SS**PPolyproline II helixtrans-74.7125.1176.8510000110.1L85 T89L85-T87 PolarHBondContact O-N 3.48Å; T87-T89 PolarHBondContact O-N 3.45Å
88T55.2Low57.1Low52 Ų52103.8 Ų103.832%0.31961%0.61SS.*  trans-85.994.4174.249.20000109.6N50 E61 P90N50-T88 PolarHBondContact ND2-OG1 2.04Å; E61-T88 HydrophobicContact CG-CG2 4.16Å; T88-P90 VanDerWaalsContact O-CD 3.22Å; T88-P90 WeakPolarHBondContact O-CD 3.26Å
89T47.5Very low55.3Low123 Ų123102.4 Ų102.476%0.75561%0.613SS**  trans-76.2110161.4-54.90000107.1T87T87-T89 PolarHBondContact O-N 3.45Å
90P43.8Very low52.9Low89 Ų89107 Ų10758%0.57864%0.644SS**  trans-64.4132.6175.326.6-32.2000108.8T88T88-P90 VanDerWaalsContact O-CD 3.22Å; T88-P90 WeakPolarHBondContact O-CD 3.26Å
91P41.3Very low51.1Low105 Ų105113.8 Ų113.868%0.68267%0.674SS**  trans-62.2144.7169.526.6-32.2000109.2S93P91-S93 PolarHBondContact O-N 3.47Å
92P39.8Very low49.4Very low128 Ų128113 Ų11383%0.83168%0.677SS**  trans-60.3115.2-176.123.7-32.5000109.9T94P92-T94 PolarHBondContact O-N 2.03Å
93S37.7Very low47.7Very low113 Ų113117.4 Ų117.479%0.7971%0.709SS**  trans-83.5103.2172.4-58.90000108.2P91 P95P91-S93 PolarHBondContact O-N 3.47Å; S93-P95 WeakPolarHBondContact O-CD 3.09Å
94T40.4Very low46.5Very low127 Ų127117.6 Ų117.678%0.77971%0.709SS**PPolyproline II helixtrans-65.5122.516733.40000109.2P92 T96P92-T94 PolarHBondContact O-N 2.03Å; T94-T96 PolarHBondContact O-N 3.26Å
95P39.4Very low45Very low122 Ų122113.4 Ų113.479%0.79271%0.709SS**PPolyproline II helixtrans-71.1117.7177.727.5-31.4000109.7S93S93-P95 WeakPolarHBondContact O-CD 3.09Å
96T40.4Very low43.9Very low127 Ų127118.6 Ų118.678%0.77974%0.741SS**PPolyproline II helixtrans-72.1128.9164.712.50000108.8T94 V98T94-T96 PolarHBondContact O-N 3.26Å; T96-V98 PolarHBondContact O-N 3.38Å
97P40.8Very low43.2Very low118 Ų118120.1 Ų120.177%0.76675%0.751SS**PPolyproline II helixtrans-67.4124.5-179.325.6-31.7000110.3T99P97-T99 PolarHBondContact O-N 3.44Å
98V45.5Very low42.5Very low140 Ų140120.7 Ų120.785%0.84875%0.754SS**  trans-85.8106.2174.5-148.40000107.4T96 P100T96-V98 PolarHBondContact O-N 3.38Å; V98-P100 WeakPolarHBondContact O-CD 3.41Å
99T44.8Very low42.1Very low127 Ų127124.3 Ų124.378%0.77978%0.776SS**PPolyproline II helixtrans-76.1118.4170-52.20000108P97 E101P97-T99 PolarHBondContact O-N 3.44Å; T99-E101 PolarHBondContact O-N 2.86Å
100P37.2Very low41.7Very low112 Ų112124 Ų12473%0.72778%0.776SS**PPolyproline II helixtrans-73125178.828-31000110.1V98V98-P100 WeakPolarHBondContact O-CD 3.41Å
101E41.8Very low41.8Very low179 Ų179123.9 Ų123.984%0.83678%0.783SS**PPolyproline II helixtrans-71.3136168.2-88.1-160.5123.700110.5T99 S103T99-E101 PolarHBondContact O-N 2.86Å; E101-S103 PolarHBondContact O-N 3.17Å
102P41.3Very low41.9Very low121 Ų121124.9 Ų124.979%0.78679%0.79SS**PPolyproline II helixtrans-73.1120.4-179.528-31.5000111T104P102-T104 PolarHBondContact O-N 3.07Å
103S40.5Very low42.1Very low119 Ų119124.4 Ų124.483%0.83279%0.789SS**  trans-82.2110171.6-44.90000110E101E101-S103 PolarHBondContact O-N 3.17Å
104T41.7Very low42.4Very low130 Ų130125.4 Ų125.480%0.79879%0.791SS**PPolyproline II helixtrans-76123.3166.425.80000109.5P102 T106P102-T104 PolarHBondContact O-N 3.07Å; T104-T106 PolarHBondContact O-N 2.89Å
105P40.6Very low42.6Very low121 Ų121125.2 Ų125.279%0.78679%0.791SS**PPolyproline II helixtrans-73.1125.8179.427.4-31.7000110.8
106T45.2Very low43.2Very low130 Ų130125.5 Ų125.580%0.79879%0.791SS**PPolyproline II helixtrans-71.2130.2171.5-3.90000109.9T104 V108T104-T106 PolarHBondContact O-N 2.89Å; T106-V108 PolarHBondContact O-N 2.73Å
107P42.4Very low43.4Very low117 Ų117125 Ų12576%0.7679%0.791SS**PPolyproline II helixtrans-70.4128.4-179.226.3-31.9000111
108V45.7Very low43.8Very low134 Ų134126 Ų12681%0.81279%0.794SS**  trans-86.5110174.4-175.50000108.3T106 P110T106-V108 PolarHBondContact O-N 2.73Å; V108-P110 WeakPolarHBondContact O-CD 3.39Å
109T45.8Very low43.9Very low129 Ų129125.1 Ų125.179%0.79179%0.789SS**PPolyproline II helixtrans-80.4117.5170-44.90000108.5A111T109-A111 PolarHBondContact O-N 3.29Å
110P40.6Very low43.7Very low116 Ų116124.6 Ų124.675%0.75379%0.788SS**PPolyproline II helixtrans-71.4129.9-179.427.3-32.3000110.9V108V108-P110 WeakPolarHBondContact O-CD 3.39Å
111A44Very low44.1Very low87 Ų87128 Ų12872%0.71979%0.794SS**PPolyproline II helixtrans-72.2139.2174.600000110.7T109 S113T109-A111 PolarHBondContact O-N 3.29Å; A111-S113 PolarHBondContact O-N 2.82Å
112P45.1Very low44.1Very low126 Ų126125 Ų12582%0.81879%0.79SS**PPolyproline II helixtrans-73.3126.3-177.428.6-32.4000111.1
113S42.2Very low44.1Very low118 Ų118125.1 Ų125.183%0.82579%0.794SS**  trans-83.5115.5172-47.30000109.7A111A111-S113 PolarHBondContact O-N 2.82Å
114T44.4Very low44.3Very low134 Ų134125.8 Ų125.882%0.82279%0.793SS**PPolyproline II helixtrans-74.6122.8167.823.60000109.6T116T114-T116 PolarHBondContact O-N 3.45Å
115P45.6Very low44.4Very low122 Ų122125.4 Ų125.479%0.79279%0.793SS**PPolyproline II helixtrans-74.8126178.428.2-31.4000110.5
116T51.1Low44.6Very low128 Ų128126 Ų12679%0.78580%0.795SS**PPolyproline II helixtrans-70.5132.5169.74.40000109.8T114 V118T114-T116 PolarHBondContact O-N 3.45Å; T116-V118 PolarHBondContact O-N 3.07Å
117P45.4Very low44.6Very low118 Ų118125.4 Ų125.477%0.76679%0.792SS**PPolyproline II helixtrans-70.5129.4-18027.2-32.1000110.8
118V48.1Very low44.7Very low137 Ų137126.5 Ų126.583%0.8380%0.797SS**  trans-88.5111.7175.2-164.50000107.9T116T116-V118 PolarHBondContact O-N 3.07Å
119T48.7Very low44.7Very low123 Ų123126.2 Ų126.276%0.75580%0.796SS**PPolyproline II helixtrans-77.6121.9169.8-52.20000108.5
120P39.6Very low44.5Very low116 Ų116125.6 Ų125.675%0.75379%0.794SS**PPolyproline II helixtrans-80.5122178.830.1-29.9000110.2
121E47.3Very low44.6Very low183 Ų183124.2 Ų124.286%0.85579%0.792SS**PPolyproline II helixtrans-85.5148.6167.1-86.3-155.9130.300111.8
122P41.6Very low44.6Very low115 Ų115126.3 Ų126.375%0.74780%0.798SS**PPolyproline II helixtrans-80142.9-158.830.5-34.4000114.1
123S39.7Very low44.5Very low124 Ų124125.8 Ų125.887%0.86780%0.798SS**PPolyproline II helixtrans-71.4121.9172.5-41.70000110.9
124T46.3Very low44.3Very low133 Ų133126.8 Ų126.882%0.81680%0.799SS**PPolyproline II helixtrans-102.5130.7160.832.80000109
125P44.1Very low44.3Very low122 Ų122126.2 Ų126.279%0.79280%0.798SS**PPolyproline II helixtrans-76.6139.9-16929.2-33.4000112.4
126T44.5Very low44.4Very low135 Ų135126.5 Ų126.583%0.82880%0.797SS**PPolyproline II helixtrans-63.11291731.30000110.9
127P44.5Very low44.1Very low116 Ų116126 Ų12675%0.75380%0.797SS**PPolyproline II helixtrans-72.1138.517627.4-30.6000111.4T129P127-T129 PolarHBondContact O-N 2.88Å
128V44.9Very low44.2Very low140 Ų140127 Ų12785%0.84880%0.8SS**PPolyproline II helixtrans-65.5124.2179.2-176.60000110.2P130V128-P130 WeakPolarHBondContact O-CD 3.44Å
129T45.1Very low44.1Very low129 Ų129126.5 Ų126.579%0.79180%0.797SS**PPolyproline II helixtrans-73.6121.8174.4-34.90000109.9P127P127-T129 PolarHBondContact O-N 2.88Å
130P41.5Very low43.8Very low115 Ų115126 Ų12675%0.74780%0.797SS**PPolyproline II helixtrans-71140.4174.4-12.627.6000111.2V128V128-P130 WeakPolarHBondContact O-CD 3.44Å
131A43.8Very low44Very low88 Ų88129.1 Ų129.173%0.72780%0.801SS**PPolyproline II helixtrans-61.1150.6175.100000112.3
132P44Very low43.9Very low130 Ų130126.1 Ų126.184%0.84480%0.797SS**PPolyproline II helixtrans-74.9132.4-16530.4-33.7000111.8
133S41.3Very low43.9Very low115 Ų115126.5 Ų126.580%0.80480%0.802SS**  trans-99.1115.4164.3-60.90000108.3P135S133-P135 VanDerWaalsContact O-CD 3.28Å; S133-P135 WeakPolarHBondContact O-CD 3.44Å
134T39.5Very low44Very low140 Ų140126.7 Ų126.786%0.85980%0.799SS**  trans-66.9115.5172.730.90000110.7
135P44.2Very low43.9Very low122 Ų122126.3 Ų126.379%0.79280%0.798SS**PPolyproline II helixtrans-81.2124.4162.820.1-6.7000109.2S133S133-P135 VanDerWaalsContact O-CD 3.28Å; S133-P135 WeakPolarHBondContact O-CD 3.44Å
136T46.7Very low43.9Very low127 Ų127126.6 Ų126.678%0.77980%0.798SS**PPolyproline II helixtrans-56.7142.8167.817.40000111.2V138T136-V138 PolarHBondContact O-N 3.37Å
137P45.4Very low44Very low119 Ų119125.8 Ų125.877%0.77380%0.795SS**PPolyproline II helixtrans-69.6127.6-175.128.2-33000111
138V47.3Very low44.1Very low139 Ų139126.8 Ų126.884%0.84280%0.799SS**  trans-95.6113.3167.5-163.70000106.8T136 P140T136-V138 PolarHBondContact O-N 3.37Å; V138-P140 VanDerWaalsContact O-CD 3.28Å; V138-P140 WeakPolarHBondContact O-CD 3.49Å
139T46.1Very low44.1Very low125 Ų125126.1 Ų126.177%0.76780%0.795SS**PPolyproline II helixtrans-71.6116.3171.1-51.80000108.6
140P41.9Very low43.8Very low114 Ų114125.5 Ų125.574%0.7479%0.794SS**PPolyproline II helixtrans-77.5125.1170.229.8-29.1000109.3V138V138-P140 VanDerWaalsContact O-CD 3.28Å; V138-P140 WeakPolarHBondContact O-CD 3.49Å
141E43.7Very low43.9Very low180 Ų180128.8 Ų128.884%0.84180%0.799SS**PPolyproline II helixtrans-66145.8167.3-84.1-165.5126.400110.9S143E141-S143 PolarHBondContact O-N 2.92Å
142P45.1Very low44Very low121 Ų121130.4 Ų130.479%0.78680%0.802SS**PPolyproline II helixtrans-76.5117.7-176.529.6-32.6000111.9T144P142-T144 PolarHBondContact O-N 2.7Å
143S41.9Very low43.8Very low122 Ų122129.9 Ų129.985%0.85380%0.801SS**  trans-81.7106.4166.3-59.40000110E141E141-S143 PolarHBondContact O-N 2.92Å
144T42.5Very low43.8Very low128 Ų128130.7 Ų130.779%0.78580%0.801SS**PPolyproline II helixtrans-66.6124.5167.739.80000110.6P142P142-T144 PolarHBondContact O-N 2.7Å
145P43.3Very low43.8Very low125 Ų125129.9 Ų129.981%0.81280%0.799SS**PPolyproline II helixtrans-78.5126.6177.129.5-31.4000111.2
146T45Very low43.9Very low129 Ų129130.2 Ų130.279%0.79180%0.799SS**PPolyproline II helixtrans-75.8132.5170.2-5.10000109.9
147P45.6Very low43.7Very low118 Ų118129.9 Ų129.977%0.76680%0.799SS**PPolyproline II helixtrans-73.9130-17828.2-32.7000111.5
148V46.7Very low43.8Very low136 Ų136130.8 Ų130.882%0.82480%0.802SS**  trans-95.3111.9172.4-169.60000108.1
149T46.4Very low43.7Very low127 Ų127130.2 Ų130.278%0.77980%0.799SS**PPolyproline II helixtrans-81.6121.2171.4-48.80000108.8
150P39Very low43.3Very low116 Ų116129.7 Ų129.775%0.75380%0.797SS**PPolyproline II helixtrans-80.4129.6179.229.6-30000111.1
151E43.6Very low43.4Very low184 Ų184132.8 Ų132.886%0.8680%0.802SS**PPolyproline II helixtrans-75.8142.9169.4-88.8-164128.600111.5
152P44.1Very low43.3Very low121 Ų121130.1 Ų130.179%0.78680%0.8SS**PPolyproline II helixtrans-81.6123.2-178.430.7-32000112.5
153S39.9Very low43Very low119 Ų119130 Ų13083%0.83280%0.803SS**  trans-84.7110.5170.4-580000110.9
154T41.2Very low43.1Very low132 Ų132130.7 Ų130.781%0.8180%0.801SS**PPolyproline II helixtrans-72.9126.4168.436.30000111.1
155P40.7Very low43Very low124 Ų124130.4 Ų130.481%0.80580%0.802SS**PPolyproline II helixtrans-81.8130178.530.2-31.2000111.9
156T46.5Very low43.1Very low129 Ų129130.6 Ų130.679%0.79180%0.801SS**PPolyproline II helixtrans-78.8136.9171.93.10000110.8
157P42.9Very low43Very low119 Ų119130.4 Ų130.477%0.77380%0.802SS**PPolyproline II helixtrans-76.7134.1-177.829.3-32.6000111.9
158V45.8Very low43Very low138 Ų138131.3 Ų131.384%0.83681%0.805SS**  trans-100.3115.1175.1-168.50000108.7
159T45Very low42.9Very low128 Ų128131 Ų13179%0.78580%0.804SS**PPolyproline II helixtrans-79.1123.1174-49.60000109.3
160P38.2Very low42.5Very low113 Ų113130.6 Ų130.673%0.73480%0.803SS**PPolyproline II helixtrans-83.4129.5-17930.4-30.4000111.5
161E43.5Very low42.7Very low180 Ų180133.6 Ų133.684%0.84181%0.807SS**PPolyproline II helixtrans-79.3141169.5-84.9-161.712700111.8
162P41.6Very low42.7Very low124 Ų124130.9 Ų130.981%0.80581%0.805SS**PPolyproline II helixtrans-78.4124.3-178.630.2-31.9000111.7
163S40.1Very low42.7Very low119 Ų119130.7 Ų130.783%0.83281%0.807SS**PPolyproline II helixtrans-94.8116.1171.6-60.60000110.4
164T43.5Very low42.9Very low135 Ų135131.3 Ų131.383%0.82881%0.806SS**PPolyproline II helixtrans-69.5128.4170.825.80000111.2
165P40.9Very low43.1Very low123 Ų123130.9 Ų130.980%0.79981%0.805SS**PPolyproline II helixtrans-84.1126.8-17931.2-31.3000111.6
166T45.8Very low43.4Very low129 Ų129130.9 Ų130.979%0.79180%0.803SS**PPolyproline II helixtrans-80.8138.1167.710.80000110.5
167P42.3Very low43.2Very low124 Ų124130.3 Ų130.381%0.80580%0.802SS**PPolyproline II helixtrans-74.3130.5-177.628.6-32.4000111.3
168V45.2Very low43.5Very low138 Ų138131.1 Ų131.184%0.83680%0.804SS**  trans-104.2117.2176.7-1590000108.6
169T45Very low43.6Very low129 Ų129130.7 Ų130.779%0.79180%0.802SS**PPolyproline II helixtrans-71.1129.3174.4-52.10000109.5
170P38.5Very low43.5Very low119 Ų119130 Ų13077%0.77380%0.799SS**PPolyproline II helixtrans-82.5124.3-174.430.4-31000111.6
171E43.4Very low44Very low179 Ų179128.7 Ų128.784%0.83680%0.798SS**PPolyproline II helixtrans-81.6142.4164.5-86.7-161.4128.600111.2S173E171-S173 PolarHBondContact O-N 2.9Å
172P43.4Very low44.1Very low126 Ų126126.2 Ų126.282%0.81880%0.798SS**PPolyproline II helixtrans-71.7120.4-175.827.7-32.3000111.6
173S43.4Very low44.7Very low118 Ų118126.3 Ų126.383%0.82580%0.797SS**PPolyproline II helixtrans-89.5118173.8-58.40000110.4E171E171-S173 PolarHBondContact O-N 2.9Å
174T43.7Very low45.3Very low131 Ų131125.8 Ų125.880%0.80479%0.79SS**PPolyproline II helixtrans-63.1130.7167.54.30000109.6T176T174-T176 PolarHBondContact O-N 3.3Å
175P45Very low45.8Very low123 Ų123122.8 Ų122.880%0.79977%0.773SS**PPolyproline II helixtrans-68.1118.8-175.426-32.2000110.5
176T47Very low46.5Very low125 Ų125121.8 Ų121.877%0.76777%0.767SS**PPolyproline II helixtrans-71136.6169.9-80000108.5T174 V178T174-T176 PolarHBondContact O-N 3.3Å; T176-V178 PolarHBondContact O-N 3.05Å
177P43.9Very low47.3Very low117 Ų117122 Ų12276%0.7677%0.773SS**PPolyproline II helixtrans-62.2126.3-176.121.8-31.1000111.1T179P177-T179 PolarHBondContact O-N 3.11Å
178V48.6Very low48.5Very low136 Ų136118.2 Ų118.282%0.82476%0.757SS**  trans-71.5109.9176.6-166.20000107.8T176 P180T176-V178 PolarHBondContact O-N 3.05Å; V178-P180 WeakPolarHBondContact O-CD 3.37Å
179T47.9Very low50.4Low129 Ų129113.4 Ų113.479%0.79173%0.732SS**PPolyproline II helixtrans-69.8119.7166.3-530000106.6P177 A181P177-T179 PolarHBondContact O-N 3.11Å; T179-A181 PolarHBondContact O-N 3.1Å
180P43.4Very low52.6Low112 Ų112107.3 Ų107.373%0.72770%0.695SS**PPolyproline II helixtrans-60.8135.9-176.721.2-29.6000110.1V178V178-P180 WeakPolarHBondContact O-CD 3.37Å
181A48.1Very low55.1Low86 Ų86107 Ų10771%0.71170%0.695SS**PPolyproline II helixtrans-56.6141.6175.500000110T179 T183T179-A181 PolarHBondContact O-N 3.1Å; A181-T183 PolarHBondContact O-N 2.86Å
182P46.2Very low57.4Low128 Ų128100.9 Ų100.983%0.83167%0.672SS**PPolyproline II helixtrans-56.4124.2-179.1-20.530000110.8
183T53.9Low59.6Low127 Ų12797.5 Ų97.578%0.77965%0.645SS**PPolyproline II helixtrans-60.1131.3173.2-40.10000108.8A181A181-T183 PolarHBondContact O-N 2.86Å
184P52.4Low61.7Low108 Ų10896.1 Ų96.170%0.70164%0.641SS**PPolyproline II helixtrans-57.8139.3177.321.7-31.4000110.3
185P53.9Low64Low71 Ų7194 Ų9446%0.46162%0.624SS.*PPolyproline II helixtrans-62150.8-178.326.2-33.6000110.7A189P185-A189 HydrophobicContact CB-CB 3.96Å
186P55.6Low66.1Low103 Ų10388.6 Ų88.667%0.66959%0.59SS**PPolyproline II helixtrans-54.8143.1179.821.7-31.6000110.8G188 A189P186-G188 PolarHBondContact O-N 3.34Å; P186-A189 HydrophobicContact CG-CB 4.12Å; P186-A189 WeakPolarHBondContact O-CB 3.35Å; P186-A189 PolarHBondContact O-N 3.3Å
187S61.9Low68.2Low132 Ų13286.6 Ų86.692%0.92358%0.581SS**THydrogen-bonded Turntrans-46.6111.6-174.255.40000112.2
188G69Low70.2Confident46 Ų4685.9 Ų85.947%0.47457%0.571SS.*THydrogen-bonded Turntrans106.9-11.3-179.300000115.1P186 K206 C207P186-G188 PolarHBondContact O-N 3.34Å; G188-K206 WeakPolarHBondContact O-CA 3.3Å; G188-C207 PolarHBondContact O-N 3.49Å; G188-C207 VanDerWaalsContact O-N 3.09Å
189A83.8Confident72.2Confident36 Ų3683.5 Ų83.530%0.29856%0.557SS.*BIsolated β-bridgetrans-84141.3169.600000111.3P185 P186 M205P185-A189 HydrophobicContact CB-CB 3.96Å; P186-A189 HydrophobicContact CG-CB 4.12Å; P186-A189 WeakPolarHBondContact O-CB 3.35Å; P186-A189 PolarHBondContact O-N 3.3Å; A189-M205 CarbonylContact C-O 3.47Å; A189-M205 WeakPolarHBondContact CA-O 3.39Å
190C91.1Very high74.3Confident2 Ų278.2 Ų78.21%0.01452%0.524CS..  trans-138.4152.5-177.159.20000110.3D195 C196 C202 M205 K206C190-D195 HydrophobicContact CB-CB 3.88Å; C190-C196 WeakPolarHBondContact CB-SG 3.26Å; C190-C196 VanDerWaalsContact SG-SG 3.65Å; C190-C202 HydrophobicContact CB-CB 3.74Å; C190-C202 WeakPolarHBondContact CB-SG 3.44Å; C190-C202 PolarHBondContact O-SG 3.11Å; C190-C202 WeakPolarHBondContact SG-CA 2.96Å; C190-C202 WeakPolarHBondContact SG-CB 3.31Å; C190-C202 CovalentContact SG-SG 2.03Å; C190-C202 PolarHBondContact SG-SG 2.96Å; C190-M205 PolarHBondContact N-O 3.35Å; C190-M205 WeakPolarHBondContact O-CA 3.09Å; C190-M205 WeakPolarHBondContact O-CB 3.21Å; C190-K206 PolarHBondContact SG-N 2.02Å; C190-K206 VanDerWaalsContact SG-N 3.38Å
191S90.6Very high76.6Confident112 Ų11273.1 Ų73.178%0.78349%0.491SS*.SBendtrans-109.9-21.1171.5-55.60000111.5D195S191-D195 WeakPolarHBondContact CA-OD2 3.22Å; S191-D195 PolarHBondContact N-OD2 2.63Å
192S91.7Very high78.7Confident51 Ų5170 Ų7036%0.35746%0.463SS..SBendtrans-147165.1178.374.90000111A194 D195 C202S192-A194 PolarHBondContact O-N 3.04Å; S192-A194 VanDerWaalsContact O-N 3.16Å; S192-A194 PolarHBondContact OG-N 3.37Å; S192-D195 PolarHBondContact N-OD2 3.13Å; S192-D195 PolarHBondContact O-N 2.81Å; S192-D195 VanDerWaalsContact O-N 3.12Å; S192-D195 PolarHBondContact OG-OD2 3.45Å; S192-C202 VanDerWaalsContact C-CB 3.48Å; S192-C202 WeakPolarHBondContact O-CB 3.31Å
193H90.3Very high80.8Confident54 Ų5466.8 Ų66.825%0.2544%0.437CS..G310 helixtrans-62.1-18.8174.2-61.8-73.3000113.7D195 C196 C202 V228 R230H193-D195 VanDerWaalsContact C-N 3.29Å; H193-C196 PolarHBondContact O-N 2.83Å; H193-C202 PolarHBondContact CE1-O 3.11Å; H193-C202 PolarHBondContact ND1-N 3.38Å; H193-V228 HydrophobicContact CB-CB 4.12Å; H193-V228 HydrophobicContact CB-CG1 4.39Å; H193-V228 HydrophobicContact CB-CG2 3.79Å; H193-R230 PolarHBondContact O-NH2 2.55Å
194A87.8Confident82.5Confident89 Ų8967.7 Ų67.774%0.73644%0.437SS*.G310 helixtrans-73.9-21.5176.800000112.8S192 C196S192-A194 PolarHBondContact O-N 3.04Å; S192-A194 VanDerWaalsContact O-N 3.16Å; S192-A194 PolarHBondContact OG-N 3.37Å; A194-C196 PolarHBondContact O-N 3.48Å
195D91Very high84.3Confident86 Ų8669.5 Ų69.546%0.4644%0.438SS..G310 helixtrans-78.7-14.4177.7-51.7-38.8000112C190 S191 S192 H193C190-D195 HydrophobicContact CB-CB 3.88Å; S191-D195 WeakPolarHBondContact CA-OD2 3.22Å; S191-D195 PolarHBondContact N-OD2 2.63Å; S192-D195 PolarHBondContact N-OD2 3.13Å; S192-D195 PolarHBondContact O-N 2.81Å; S192-D195 VanDerWaalsContact O-N 3.12Å; S192-D195 PolarHBondContact OG-OD2 3.45Å; H193-D195 VanDerWaalsContact C-N 3.29Å
196C90.6Very high86.1Confident10 Ų1072.5 Ų72.57%0.06844%0.444CS..SBendtrans-99.4150.9-179.6-63.70000111.5C190 H193 A194 T200 C207 R230C190-C196 WeakPolarHBondContact CB-SG 3.26Å; C190-C196 VanDerWaalsContact SG-SG 3.65Å; H193-C196 PolarHBondContact O-N 2.83Å; A194-C196 PolarHBondContact O-N 3.48Å; C196-T200 WeakPolarHBondContact CB-O 3.25Å; C196-T200 WeakPolarHBondContact CB-OG1 3.24Å; C196-C207 WeakPolarHBondContact CA-SG 3.35Å; C196-C207 HydrophobicContact CB-CB 3.91Å; C196-C207 WeakPolarHBondContact CB-SG 3.41Å; C196-C207 WeakPolarHBondContact SG-CA 3.32Å; C196-C207 WeakPolarHBondContact SG-CB 3.46Å; C196-C207 CovalentContact SG-SG 2.05Å; C196-C207 PolarHBondContact SG-SG 3.36Å; C196-R230 PolarHBondContact O-NH2 3.13Å
197S89.4Confident87.9Confident83 Ų8369.1 Ų69.158%0.5842%0.423SS*.  trans-60.4160.3174.4-50.70000112T199 T200 R230S197-T199 PolarHBondContact O-N 3.2Å; S197-T200 PolarHBondContact N-OG1 3.22Å; S197-T200 PolarHBondContact O-N 2.84Å; S197-T200 PolarHBondContact O-OG1 3.29Å; S197-R230 VanDerWaalsContact O-CZ 3.23Å; S197-R230 PolarHBondContact O-NH1 3.02Å; S197-R230 PolarHBondContact O-NH2 3.19Å; S197-R230 VanDerWaalsContact O-NH2 3.11Å
198N87.7Confident89.3Confident103 Ų10364.4 Ų64.455%0.55139%0.388SS*.THydrogen-bonded Turntrans-60.2-16-175.8-74.3-21.7000115.4R230N198-R230 VanDerWaalsContact CA-NH1 3.31Å; N198-R230 WeakPolarHBondContact O-CD 3.16Å; N198-R230 PolarHBondContact O-NH1 3.37Å
199T89.1Confident90.4Very high86 Ų8667.3 Ų67.353%0.52839%0.393SS..THydrogen-bonded Turntrans-99.41.1176.456.80000114S197 A210S197-T199 PolarHBondContact O-N 3.2Å; T199-A210 PolarHBondContact O-N 3.28Å
200T91.8Very high90.9Very high18 Ų1866.2 Ų66.211%0.1138%0.384CS..EExtended strand (participates in β ladder)trans-131.2147.2-177.254.90000111.9C196 S197 V208 R230C196-T200 WeakPolarHBondContact CB-O 3.25Å; C196-T200 WeakPolarHBondContact CB-OG1 3.24Å; S197-T200 PolarHBondContact N-OG1 3.22Å; S197-T200 PolarHBondContact O-N 2.84Å; S197-T200 PolarHBondContact O-OG1 3.29Å; T200-V208 CarbonylContact C-O 3.58Å; T200-V208 WeakPolarHBondContact CA-O 3.41Å; T200-V208 WeakPolarHBondContact CB-O 3.39Å; T200-R230 VanDerWaalsContact O-CZ 3.22Å; T200-R230 PolarHBondContact O-NH1 2.92Å; T200-R230 PolarHBondContact O-NH2 2.83Å
201L92.2Very high91Very high4 Ų469.1 Ų69.12%0.02140%0.397CS..EExtended strand (participates in β ladder)trans-112.8150.3177.367.283000110.7E203 C207 V208 A210 K236 K237L201-E203 HydrophobicContact CD1-CB 3.64Å; L201-E203 PolarHBondContact O-N 2.04Å; L201-C207 CarbonylContact O-C 3.56Å; L201-C207 WeakPolarHBondContact O-CA 3.42Å; L201-V208 HydrophobicContact CD1-CG2 3.46Å; L201-V208 VanDerWaalsContact CD1-CG2 3.46Å; L201-V208 HydrophobicContact CG-CG2 3.79Å; L201-V208 PolarHBondContact N-O 3.07Å; L201-V208 PolarHBondContact O-N 3.16Å; L201-A210 HydrophobicContact CB-CB 4.25Å; L201-A210 HydrophobicContact CD2-CB 3.88Å; L201-A210 HydrophobicContact CG-CB 4.15Å; L201-K236 VanDerWaalsContact CD2-C 3.41Å; L201-K237 VanDerWaalsContact CD2-CA 3.49Å; L201-K237 HydrophobicContact CD2-CB 4.03Å
202C92.2Very high91.1Very high20 Ų2067 Ų6714%0.13538%0.38CS..EExtended strand (participates in β ladder)trans-82.3115.5174-1700000110.2C190 S192 H193C190-C202 HydrophobicContact CB-CB 3.74Å; C190-C202 WeakPolarHBondContact CB-SG 3.44Å; C190-C202 PolarHBondContact O-SG 3.11Å; C190-C202 WeakPolarHBondContact SG-CA 2.96Å; C190-C202 WeakPolarHBondContact SG-CB 3.31Å; C190-C202 CovalentContact SG-SG 2.03Å; C190-C202 PolarHBondContact SG-SG 2.96Å; S192-C202 VanDerWaalsContact C-CB 3.48Å; S192-C202 WeakPolarHBondContact O-CB 3.31Å; H193-C202 PolarHBondContact CE1-O 3.11Å; H193-C202 PolarHBondContact ND1-N 3.38Å
203E90.6Very high91.1Very high61 Ų6165.7 Ų65.729%0.28537%0.371SS..EExtended strand (participates in β ladder)trans-134.7129.5174.1-172.4-178.8-162.300108.5L201 M205 K206 V208 K237L201-E203 HydrophobicContact CD1-CB 3.64Å; L201-E203 PolarHBondContact O-N 2.04Å; E203-M205 VanDerWaalsContact C-N 3.25Å; E203-M205 PolarHBondContact O-N 3.43Å; E203-K206 PolarHBondContact N-O 2.82Å; E203-K206 PolarHBondContact O-N 3.29Å; E203-K206 VanDerWaalsContact O-O 3.06Å; E203-V208 HydrophobicContact CB-CG2 4.13Å; E203-K237 IonicContact OE1-NZ 2.9Å; E203-K237 VanDerWaalsContact OE2-CD 3.26Å; E203-K237 WeakPolarHBondContact OE2-CD 3.31Å; E203-K237 VanDerWaalsContact OE2-CE 3.22Å; E203-K237 WeakPolarHBondContact OE2-CE 3.43Å; E203-K237 IonicContact OE2-NZ 2.78Å; E203-K237 PolarHBondContact OE2-NZ 2.96Å
204N89.4Confident91.3Very high146 Ų14671.5 Ų71.578%0.78140%0.403SS*.THydrogen-bonded Turntrans50.444.1-178-60.5-39.6000113.5K206N204-K206 PolarHBondContact O-N 2.97Å
205M89.6Confident91.6Very high146 Ų14670.5 Ų70.572%0.71938%0.382SS*.THydrogen-bonded Turntrans62.316.3-176.9-52.5-178.1-67.400115.7A189 C190 E203A189-M205 CarbonylContact C-O 3.47Å; A189-M205 WeakPolarHBondContact CA-O 3.39Å; C190-M205 PolarHBondContact N-O 3.35Å; C190-M205 WeakPolarHBondContact O-CA 3.09Å; C190-M205 WeakPolarHBondContact O-CB 3.21Å; E203-M205 VanDerWaalsContact C-N 3.25Å; E203-M205 PolarHBondContact O-N 3.43Å
206K92.5Very high91.8Very high135 Ų13569 Ų6959%0.58738%0.382SS*.EExtended strand (participates in β ladder)trans-124.7138.4176.7-172.7178.2178.3-177.50110.9G188 C190 E203 N204 V208G188-K206 WeakPolarHBondContact O-CA 3.3Å; C190-K206 PolarHBondContact SG-N 2.02Å; C190-K206 VanDerWaalsContact SG-N 3.38Å; E203-K206 PolarHBondContact N-O 2.82Å; E203-K206 PolarHBondContact O-N 3.29Å; E203-K206 VanDerWaalsContact O-O 3.06Å; N204-K206 PolarHBondContact O-N 2.97Å; K206-V208 PolarHBondContact O-N 3.17Å
207C93.1Very high92Very high32 Ų3269.1 Ų69.122%0.21638%0.383CS..EExtended strand (participates in β ladder)trans-73.5118.3168.6-600000109.8G188 C196 L201G188-C207 PolarHBondContact O-N 3.49Å; G188-C207 VanDerWaalsContact O-N 3.09Å; C196-C207 WeakPolarHBondContact CA-SG 3.35Å; C196-C207 HydrophobicContact CB-CB 3.91Å; C196-C207 WeakPolarHBondContact CB-SG 3.41Å; C196-C207 WeakPolarHBondContact SG-CA 3.32Å; C196-C207 WeakPolarHBondContact SG-CB 3.46Å; C196-C207 CovalentContact SG-SG 2.05Å; C196-C207 PolarHBondContact SG-SG 3.36Å; L201-C207 CarbonylContact O-C 3.56Å; L201-C207 WeakPolarHBondContact O-CA 3.42Å
208V92Very high92.2Very high33 Ų3367.7 Ų67.720%0.237%0.373CS..EExtended strand (participates in β ladder)trans-114.4152.7176-60.50000110.4T200 L201 E203 K206 K237T200-V208 CarbonylContact C-O 3.58Å; T200-V208 WeakPolarHBondContact CA-O 3.41Å; T200-V208 WeakPolarHBondContact CB-O 3.39Å; L201-V208 HydrophobicContact CD1-CG2 3.46Å; L201-V208 VanDerWaalsContact CD1-CG2 3.46Å; L201-V208 HydrophobicContact CG-CG2 3.79Å; L201-V208 PolarHBondContact N-O 3.07Å; L201-V208 PolarHBondContact O-N 3.16Å; E203-V208 HydrophobicContact CB-CG2 4.13Å; K206-V208 PolarHBondContact O-N 3.17Å; V208-K237 HydrophobicContact CG2-CG 4.17Å
209D92.6Very high92.3Very high106 Ų10671.3 Ų71.357%0.56739%0.392SS*.EExtended strand (participates in β ladder)trans-58.1142178.3-63.5-39.5000111.3Y238D209-Y238 HydrophobicContact CB-CD1 4.37Å; D209-Y238 WeakPolarHBondContact O-CB 3.41Å; D209-Y238 PolarHBondContact O-N 3.46Å
210A93Very high92.4Very high13 Ų1372.5 Ų72.511%0.10740%0.404CS..EExtended strand (participates in β ladder)trans-132.4151.9-177.800000110.7T199 L201 W235 K236T199-A210 PolarHBondContact O-N 3.28Å; L201-A210 HydrophobicContact CB-CB 4.25Å; L201-A210 HydrophobicContact CD2-CB 3.88Å; L201-A210 HydrophobicContact CG-CB 4.15Å; A210-W235 HydrophobicContact CB-CB 4.48Å; A210-W235 HydrophobicContact CB-CE3 3.96Å; A210-W235 WeakPolarHBondContact O-CZ3 3.39Å; A210-K236 CarbonylContact C-O 3.58Å; A210-K236 WeakPolarHBondContact CA-O 3.37Å; A210-K236 VanDerWaalsContact CB-O 3.31Å; A210-K236 WeakPolarHBondContact CB-O 3.32Å
211E92.9Very high92.3Very high63 Ų6376.7 Ų76.729%0.29442%0.422SS..EExtended strand (participates in β ladder)trans-122.4148.3173.364.4174.6-176.900111W235 K236 Y238E211-W235 WeakPolarHBondContact O-CA 3.27Å; E211-K236 HydrophobicContact CG-CG 4.11Å; E211-K236 PolarHBondContact N-O 3.43Å; E211-K236 PolarHBondContact O-N 3.1Å; E211-K236 WeakPolarHBondContact OE1-CE 3.22Å; E211-K236 IonicContact OE1-NZ 2.68Å; E211-K236 PolarHBondContact OE1-NZ 3.16Å; E211-Y238 HydrophobicContact CB-CD2 4.14Å; E211-Y238 HydrophobicContact CG-CD2 4.27Å
212P94.1Very high92.3Very high67 Ų6781 Ų8144%0.43545%0.45SS..EExtended strand (participates in β ladder)trans-70.2142.9172.730.4-33.1000110.3L233 W235P212-L233 HydrophobicContact CB-CD1 4.36Å; P212-W235 HydrophobicContact CB-CD2 4.24Å; P212-W235 HydrophobicContact CB-CH2 4.45Å; P212-W235 HydrophobicContact CB-CZ2 4.03Å; P212-W235 HydrophobicContact CG-CH2 4.31Å; P212-W235 HydrophobicContact CG-CZ2 4.31Å
213T92.2Very high92.4Very high25 Ų2581.1 Ų81.115%0.15345%0.451CS..EExtended strand (participates in β ladder)trans-96.4169.3168.869.10000110.4K215 C234 K236T213-K215 PolarHBondContact O-N 3.37Å; T213-K215 PolarHBondContact OG1-N 3.23Å; T213-C234 WeakPolarHBondContact CB-O 2.94Å; T213-C234 WeakPolarHBondContact CG2-O 3.24Å; T213-C234 PolarHBondContact N-O 2.97Å; T213-C234 VanDerWaalsContact OG1-CB 3.31Å; T213-C234 WeakPolarHBondContact OG1-CB 3.33Å; T213-C234 PolarHBondContact OG1-O 3.41Å; T213-K236 HydrophobicContact CG2-CB 4.08Å; T213-K236 HydrophobicContact CG2-CD 3.67Å; T213-K236 HydrophobicContact CG2-CG 3.61Å
214D92.5Very high92.4Very high175 Ų17582.2 Ų82.294%0.93646%0.459SS*.EExtended strand (participates in β ladder)trans-73.8-5.9173.4-60.1-44.8000113.6A216D214-A216 PolarHBondContact O-N 3.42Å
215K94.2Very high92.2Very high68 Ų6880.9 Ų80.930%0.29646%0.462SS..EExtended strand (participates in β ladder)trans-82.8115.4-177.6-169.2-177.9-173.5-175.80110T213 D224 C234T213-K215 PolarHBondContact O-N 3.37Å; T213-K215 PolarHBondContact OG1-N 3.23Å; K215-D224 IonicContact NZ-OD1 2.67Å; K215-D224 PolarHBondContact NZ-OD1 2.83Å; K215-D224 IonicContact NZ-OD2 3.9Å; K215-D224 PolarHBondContact NZ-OD2 2.88Å; K215-C234 HydrophobicContact CB-CB 4.24Å; K215-C234 PolarHBondContact O-N 3.21Å
216A95.5Very high92Very high55 Ų5577.6 Ų77.646%0.45546%0.458SS..EExtended strand (participates in β ladder)trans-69.6147.5169.300000111.3D214 Q221 G232D214-A216 PolarHBondContact O-N 3.42Å; A216-Q221 PolarHBondContact O-NE2 3.05Å; A216-G232 CarbonylContact C-O 3.51Å; A216-G232 VanDerWaalsContact CA-O 3.26Å; A216-G232 WeakPolarHBondContact CA-O 2.89Å
217C95.7Very high92Very high12 Ų1273.3 Ų73.38%0.08144%0.44CS..  trans-136.7156179.4590000113Q221 C223 C229 G232 L233 C234C217-Q221 VanDerWaalsContact CA-O 3.24Å; C217-Q221 WeakPolarHBondContact CA-O 3.28Å; C217-Q221 WeakPolarHBondContact CB-O 3.47Å; C217-C223 WeakPolarHBondContact CB-SG 3.21Å; C217-C229 VanDerWaalsContact C-SG 3.58Å; C217-C229 HydrophobicContact CB-CB 3.7Å; C217-C229 WeakPolarHBondContact CB-SG 3.41Å; C217-C229 WeakPolarHBondContact SG-CA 3.23Å; C217-C229 WeakPolarHBondContact SG-CB 2.98Å; C217-C229 CovalentContact SG-SG 2.02Å; C217-C229 PolarHBondContact SG-SG 2.65Å; C217-G232 PolarHBondContact N-O 3.13Å; C217-L233 PolarHBondContact SG-N 3.46Å; C217-L233 VanDerWaalsContact SG-N 3.43Å; C217-L233 PolarHBondContact SG-O 3.31Å; C217-C234 VanDerWaalsContact CB-SG 3.5Å
218S93.4Very high92Very high54 Ų5473 Ų7338%0.37844%0.437SS..  trans-152.6177.3177.462.30000109.1S220 Q221S218-S220 PolarHBondContact O-N 2.99Å; S218-S220 PolarHBondContact OG-N 3.5Å; S218-S220 PolarHBondContact OG-OG 2.87Å; S218-Q221 PolarHBondContact N-O 3.23Å; S218-Q221 CarbonylContact O-C 3.54Å; S218-Q221 PolarHBondContact O-N 3.45Å; S218-Q221 VanDerWaalsContact O-N 3.15Å; S218-Q221 VanDerWaalsContact O-O 3.13Å; S218-Q221 PolarHBondContact OG-N 3.18Å
219D89.9Confident92.1Very high179 Ų17974 Ų7496%0.95744%0.444SS*.SBendtrans-57.7-30.9172.4-63.6-30.9000112.5
220S90.5Very high92.1Very high111 Ų11170 Ų7078%0.77642%0.421SS*.SBendtrans-87.6-22.9177.657.20000114S218 P222S218-S220 PolarHBondContact O-N 2.99Å; S218-S220 PolarHBondContact OG-N 3.5Å; S218-S220 PolarHBondContact OG-OG 2.87Å; S220-P222 WeakPolarHBondContact O-CD 3.29Å
221Q91.2Very high92Very high105 Ų10576.4 Ų76.449%0.49145%0.454SS..SBendtrans-124.580.9-179.7-170.4174.4-77.300109.5A216 C217 S218A216-Q221 PolarHBondContact O-NE2 3.05Å; C217-Q221 VanDerWaalsContact CA-O 3.24Å; C217-Q221 WeakPolarHBondContact CA-O 3.28Å; C217-Q221 WeakPolarHBondContact CB-O 3.47Å; S218-Q221 PolarHBondContact N-O 3.23Å; S218-Q221 CarbonylContact O-C 3.54Å; S218-Q221 PolarHBondContact O-N 3.45Å; S218-Q221 VanDerWaalsContact O-N 3.15Å; S218-Q221 VanDerWaalsContact O-O 3.13Å; S218-Q221 PolarHBondContact OG-N 3.18Å
222P91.7Very high92Very high94 Ų9475.1 Ų75.161%0.6146%0.458SS*.PPolyproline II helixtrans-68.6160178.629.1-34.8000111.5S220S220-P222 WeakPolarHBondContact O-CD 3.29Å
223C94.2Very high92Very high23 Ų2375.3 Ų75.316%0.15546%0.455CS..PPolyproline II helixtrans-72.3167.8174.5-58.20000112.1C217 Q227 C234C217-C223 WeakPolarHBondContact CB-SG 3.21Å; C223-Q227 HydrophobicContact CB-CB 3.55Å; C223-C234 WeakPolarHBondContact CA-SG 3.39Å; C223-C234 HydrophobicContact CB-CB 3.69Å; C223-C234 WeakPolarHBondContact CB-SG 3.04Å; C223-C234 WeakPolarHBondContact SG-CA 3.46Å; C223-C234 WeakPolarHBondContact SG-CB 3Å; C223-C234 CovalentContact SG-SG 2.03Å; C223-C234 PolarHBondContact SG-SG 3.38Å
224D91.2Very high92.2Very high84 Ų8474.1 Ų74.145%0.44945%0.448SS..PPolyproline II helixtrans-67.1166175-58.8-52.8000111.2K215 A226 Q227K215-D224 IonicContact NZ-OD1 2.67Å; K215-D224 PolarHBondContact NZ-OD1 2.83Å; K215-D224 IonicContact NZ-OD2 3.9Å; K215-D224 PolarHBondContact NZ-OD2 2.88Å; D224-A226 PolarHBondContact O-N 3.23Å; D224-Q227 WeakPolarHBondContact O-CB 3.27Å; D224-Q227 PolarHBondContact O-N 2.04Å
225S84.9Confident92.3Very high119 Ų11967.7 Ų67.783%0.83241%0.41SS*.THydrogen-bonded Turntrans-55.7136.4179.154.40000111.6Q227S225-Q227 VanDerWaalsContact C-N 3.29Å
226A84.6Confident92.3Very high77 Ų7768.5 Ų68.564%0.63641%0.414SS*.THydrogen-bonded Turntrans71.110.7-173.700000116.1D224D224-A226 PolarHBondContact O-N 3.23Å
227Q92.4Very high92.1Very high45 Ų4570 Ų7021%0.2141%0.41CS..  trans-108.1159.7170.6-60.8178.2900111.4C223 D224 S225 W235 K236C223-Q227 HydrophobicContact CB-CB 3.55Å; D224-Q227 WeakPolarHBondContact O-CB 3.27Å; D224-Q227 PolarHBondContact O-N 2.04Å; S225-Q227 VanDerWaalsContact C-N 3.29Å; Q227-W235 WeakPolarHBondContact CA-O 3.46Å; Q227-W235 WeakPolarHBondContact CB-O 3.22Å; Q227-K236 HydrophobicContact CG-CB 3.97Å
228V92.5Very high91.8Very high25 Ų2574.3 Ų74.315%0.15243%0.425CS..EExtended strand (participates in β ladder)trans-127.1139.5175.563.80000110.8H193 R230 W235H193-V228 HydrophobicContact CB-CB 4.12Å; H193-V228 HydrophobicContact CB-CG1 4.39Å; H193-V228 HydrophobicContact CB-CG2 3.79Å; V228-R230 HydrophobicContact CG1-CG 4.34Å; V228-R230 HydrophobicContact CG2-CG 4.42Å; V228-W235 HydrophobicContact CG1-CB 4.08Å; V228-W235 PolarHBondContact N-O 2.9Å; V228-W235 VanDerWaalsContact N-O 3.1Å; V228-W235 PolarHBondContact O-N 3.41Å
229C94.4Very high91.3Very high53 Ų5378.4 Ų78.436%0.35844%0.438SS..EExtended strand (participates in β ladder)trans-79.6119.8173.2-172.40000110.2C217C217-C229 VanDerWaalsContact C-SG 3.58Å; C217-C229 HydrophobicContact CB-CB 3.7Å; C217-C229 WeakPolarHBondContact CB-SG 3.41Å; C217-C229 WeakPolarHBondContact SG-CA 3.23Å; C217-C229 WeakPolarHBondContact SG-CB 2.98Å; C217-C229 CovalentContact SG-SG 2.02Å; C217-C229 PolarHBondContact SG-SG 2.65Å
230R92.6Very high90.4Very high23 Ų2373.1 Ų73.19%0.08742%0.419CS..EExtended strand (participates in β ladder)trans-138.2130172.8-70.7-175.4178.6151.2-3.7110.6H193 C196 S197 N198 T200 V228 G232 L233 W235H193-R230 PolarHBondContact O-NH2 2.55Å; C196-R230 PolarHBondContact O-NH2 3.13Å; S197-R230 VanDerWaalsContact O-CZ 3.23Å; S197-R230 PolarHBondContact O-NH1 3.02Å; S197-R230 PolarHBondContact O-NH2 3.19Å; S197-R230 VanDerWaalsContact O-NH2 3.11Å; N198-R230 VanDerWaalsContact CA-NH1 3.31Å; N198-R230 WeakPolarHBondContact O-CD 3.16Å; N198-R230 PolarHBondContact O-NH1 3.37Å; T200-R230 VanDerWaalsContact O-CZ 3.22Å; T200-R230 PolarHBondContact O-NH1 2.92Å; T200-R230 PolarHBondContact O-NH2 2.83Å; V228-R230 HydrophobicContact CG1-CG 4.34Å; V228-R230 HydrophobicContact CG2-CG 4.42Å; R230-G232 PolarHBondContact O-N 2.99Å; R230-L233 PolarHBondContact N-O 3.46Å; R230-L233 PolarHBondContact O-N 3.12Å; R230-L233 VanDerWaalsContact O-N 3.1Å; R230-L233 VanDerWaalsContact O-O 3.13Å; R230-W235 PolarHBondContact O-NE1 3.22Å
231N90.7Very high89.4Confident147 Ų14772.5 Ų72.579%0.78641%0.413SS*.THydrogen-bonded Turntrans51.936-177.6-57.9-31.2000113L233N231-L233 VanDerWaalsContact C-N 3.32Å; N231-L233 PolarHBondContact O-N 3.46Å
232G93.1Very high88.4Confident37 Ų3772.6 Ų72.638%0.38142%0.416SS..THydrogen-bonded Turntrans78.65.1178.700000115.7A216 C217 R230A216-G232 CarbonylContact C-O 3.51Å; A216-G232 VanDerWaalsContact CA-O 3.26Å; A216-G232 WeakPolarHBondContact CA-O 2.89Å; C217-G232 PolarHBondContact N-O 3.13Å; R230-G232 PolarHBondContact O-N 2.99Å
233L95.4Very high87.5Confident71 Ų7177.5 Ų77.537%0.37243%0.43SS..EExtended strand (participates in β ladder)trans-119.9147.1174.7-68.1173.7000111.3P212 C217 R230 N231 W235P212-L233 HydrophobicContact CB-CD1 4.36Å; C217-L233 PolarHBondContact SG-N 3.46Å; C217-L233 VanDerWaalsContact SG-N 3.43Å; C217-L233 PolarHBondContact SG-O 3.31Å; R230-L233 PolarHBondContact N-O 3.46Å; R230-L233 PolarHBondContact O-N 3.12Å; R230-L233 VanDerWaalsContact O-N 3.1Å; R230-L233 VanDerWaalsContact O-O 3.13Å; N231-L233 VanDerWaalsContact C-N 3.32Å; N231-L233 PolarHBondContact O-N 3.46Å; L233-W235 VanDerWaalsContact O-CD1 3.23Å
234C96.2Very high86.6Confident0 Ų078.4 Ų78.40%044%0.444CS..EExtended strand (participates in β ladder)trans-79.1131.6172.8-68.40000111.1T213 K215 C217 C223T213-C234 WeakPolarHBondContact CB-O 2.94Å; T213-C234 WeakPolarHBondContact CG2-O 3.24Å; T213-C234 PolarHBondContact N-O 2.97Å; T213-C234 VanDerWaalsContact OG1-CB 3.31Å; T213-C234 WeakPolarHBondContact OG1-CB 3.33Å; T213-C234 PolarHBondContact OG1-O 3.41Å; K215-C234 HydrophobicContact CB-CB 4.24Å; K215-C234 PolarHBondContact O-N 3.21Å; C217-C234 VanDerWaalsContact CB-SG 3.5Å; C223-C234 WeakPolarHBondContact CA-SG 3.39Å; C223-C234 HydrophobicContact CB-CB 3.69Å; C223-C234 WeakPolarHBondContact CB-SG 3.04Å; C223-C234 WeakPolarHBondContact SG-CA 3.46Å; C223-C234 WeakPolarHBondContact SG-CB 3Å; C223-C234 CovalentContact SG-SG 2.03Å; C223-C234 PolarHBondContact SG-SG 3.38Å
235W94.8Very high86.4Confident39 Ų3980.5 Ų80.515%0.14845%0.445CS..EExtended strand (participates in β ladder)trans-109.4132.2177.4-70.566.3000110.1A210 E211 P212 Q227 V228 R230 L233A210-W235 HydrophobicContact CB-CB 4.48Å; A210-W235 HydrophobicContact CB-CE3 3.96Å; A210-W235 WeakPolarHBondContact O-CZ3 3.39Å; E211-W235 WeakPolarHBondContact O-CA 3.27Å; P212-W235 HydrophobicContact CB-CD2 4.24Å; P212-W235 HydrophobicContact CB-CH2 4.45Å; P212-W235 HydrophobicContact CB-CZ2 4.03Å; P212-W235 HydrophobicContact CG-CH2 4.31Å; P212-W235 HydrophobicContact CG-CZ2 4.31Å; Q227-W235 WeakPolarHBondContact CA-O 3.46Å; Q227-W235 WeakPolarHBondContact CB-O 3.22Å; V228-W235 HydrophobicContact CG1-CB 4.08Å; V228-W235 PolarHBondContact N-O 2.9Å; V228-W235 VanDerWaalsContact N-O 3.1Å; V228-W235 PolarHBondContact O-N 3.41Å; R230-W235 PolarHBondContact O-NE1 3.22Å; L233-W235 VanDerWaalsContact O-CD1 3.23Å
236K93.3Very high86.7Confident86 Ų8675 Ų7537%0.37441%0.406SS..EExtended strand (participates in β ladder)trans-116.4167.2175.364.7175.6175.9154.20109.8L201 A210 E211 T213 Q227 Y238L201-K236 VanDerWaalsContact CD2-C 3.41Å; A210-K236 CarbonylContact C-O 3.58Å; A210-K236 WeakPolarHBondContact CA-O 3.37Å; A210-K236 VanDerWaalsContact CB-O 3.31Å; A210-K236 WeakPolarHBondContact CB-O 3.32Å; E211-K236 HydrophobicContact CG-CG 4.11Å; E211-K236 PolarHBondContact N-O 3.43Å; E211-K236 PolarHBondContact O-N 3.1Å; E211-K236 WeakPolarHBondContact OE1-CE 3.22Å; E211-K236 IonicContact OE1-NZ 2.68Å; E211-K236 PolarHBondContact OE1-NZ 3.16Å; T213-K236 HydrophobicContact CG2-CB 4.08Å; T213-K236 HydrophobicContact CG2-CD 3.67Å; T213-K236 HydrophobicContact CG2-CG 3.61Å; Q227-K236 HydrophobicContact CG-CB 3.97Å; K236-Y238 PolarHBondContact O-N 3Å
237K92.2Very high86.9Confident87 Ų8779.1 Ų79.138%0.37841%0.413SS..EExtended strand (participates in β ladder)trans-58.6131176-176.3-174.3-169.5154.70109.4L201 E203 V208 E239L201-K237 VanDerWaalsContact CD2-CA 3.49Å; L201-K237 HydrophobicContact CD2-CB 4.03Å; E203-K237 IonicContact OE1-NZ 2.9Å; E203-K237 VanDerWaalsContact OE2-CD 3.26Å; E203-K237 WeakPolarHBondContact OE2-CD 3.31Å; E203-K237 VanDerWaalsContact OE2-CE 3.22Å; E203-K237 WeakPolarHBondContact OE2-CE 3.43Å; E203-K237 IonicContact OE2-NZ 2.78Å; E203-K237 PolarHBondContact OE2-NZ 2.96Å; V208-K237 HydrophobicContact CG2-CG 4.17Å; K237-E239 PolarHBondContact O-N 2.89Å
238Y88.3Confident86.8Confident101 Ų10180.5 Ų80.540%0.39642%0.424SS..  trans-75.1113.2170.8178.3-107.3000108.3D209 E211 K236 A240 P241D209-Y238 HydrophobicContact CB-CD1 4.37Å; D209-Y238 WeakPolarHBondContact O-CB 3.41Å; D209-Y238 PolarHBondContact O-N 3.46Å; E211-Y238 HydrophobicContact CB-CD2 4.14Å; E211-Y238 HydrophobicContact CG-CD2 4.27Å; K236-Y238 PolarHBondContact O-N 3Å; Y238-A240 HydrophobicContact CE1-CB 4.15Å; Y238-P241 WeakPolarHBondContact OH-CD 3.35Å
239E82.3Confident86.8Confident141 Ų14181.4 Ų81.466%0.65943%0.427SS*.  trans-89.6111.9167.8-67.5-176.5-175.600107.3K237K237-E239 PolarHBondContact O-N 2.89Å
240A72.1Confident86.5Confident67 Ų6783 Ų8355%0.55444%0.443SS*.PPolyproline II helixtrans-55.8136.5172.400000109Y238 I242Y238-A240 HydrophobicContact CE1-CB 4.15Å; A240-I242 PolarHBondContact O-N 3.39Å
241P69.2Low86.4Confident98 Ų9886 Ų8664%0.63646%0.461SS*.PPolyproline II helixtrans-50.9117.6171.5-25.533.1000108.9Y238 E243Y238-P241 WeakPolarHBondContact OH-CD 3.35Å; P241-E243 PolarHBondContact O-N 2.83Å
242I70.8Confident86.5Confident108 Ų10879.1 Ų79.155%0.55443%0.425SS*.PPolyproline II helixtrans-62.2129.8173.2-57174.7000106A240 G244 R245A240-I242 PolarHBondContact O-N 3.39Å; I242-G244 PolarHBondContact O-N 3.19Å; I242-G244 VanDerWaalsContact O-N 3.16Å; I242-R245 HydrophobicContact CB-CB 3.9Å; I242-R245 WeakPolarHBondContact O-CB 3.02Å; I242-R245 PolarHBondContact O-N 3.44Å
243E73.2Confident86.2Confident197 Ų19781.8 Ų81.892%0.92144%0.435SS*.THydrogen-bonded Turntrans-52.7123.7179.6-166.8175.1178.500110.2P241 R245P241-E243 PolarHBondContact O-N 2.83Å; E243-R245 VanDerWaalsContact C-N 3.35Å; E243-R245 PolarHBondContact O-N 3.06Å
244G73.9Confident85.9Confident42 Ų4280.9 Ų80.943%0.43344%0.444SS..THydrogen-bonded Turntrans84.9-8.8-175.300000115.9I242 S262 C263I242-G244 PolarHBondContact O-N 3.19Å; I242-G244 VanDerWaalsContact O-N 3.16Å; G244-S262 CarbonylContact O-C 3.54Å; G244-S262 VanDerWaalsContact O-CA 3.29Å; G244-S262 WeakPolarHBondContact O-CA 3.11Å; G244-C263 PolarHBondContact O-N 3.42Å
245R87Confident85.6Confident127 Ų12786 Ų8648%0.47947%0.467SS..BIsolated β-bridgetrans-87.6143.5172.6-167.5177.4177.4-169.2-3.8110.9I242 E243 N261I242-R245 HydrophobicContact CB-CB 3.9Å; I242-R245 WeakPolarHBondContact O-CB 3.02Å; I242-R245 PolarHBondContact O-N 3.44Å; E243-R245 VanDerWaalsContact C-N 3.35Å; E243-R245 PolarHBondContact O-N 3.06Å; R245-N261 CarbonylContact C-O 3.56Å; R245-N261 VanDerWaalsContact CA-O 3.22Å; R245-N261 WeakPolarHBondContact CA-O 3.04Å; R245-N261 HydrophobicContact CG-CB 4.46Å; R245-N261 VanDerWaalsContact CG-O 3.32Å; R245-N261 WeakPolarHBondContact CG-O 3.41Å
246C91Very high85.5Confident3 Ų386.6 Ų86.62%0.0247%0.472CS..  trans-146.4161.2-176.960.10000111.7N251 C252 C258 N261 S262C246-N251 HydrophobicContact CB-CB 3.88Å; C246-C252 VanDerWaalsContact CB-SG 3.54Å; C246-C258 HydrophobicContact CB-CB 3.61Å; C246-C258 WeakPolarHBondContact CB-SG 3.03Å; C246-C258 PolarHBondContact O-SG 2.86Å; C246-C258 WeakPolarHBondContact SG-CA 3.43Å; C246-C258 WeakPolarHBondContact SG-CB 3.04Å; C246-C258 CovalentContact SG-SG 2.02Å; C246-C258 PolarHBondContact SG-SG 2.78Å; C246-N261 PolarHBondContact N-O 3.13Å; C246-N261 VanDerWaalsContact O-CA 3.23Å; C246-N261 WeakPolarHBondContact O-CA 3.28Å; C246-S262 PolarHBondContact SG-N 3.17Å; C246-S262 VanDerWaalsContact SG-N 3.38Å
247E89.6Confident85.5Confident165 Ų16582.5 Ų82.577%0.77145%0.454SS*.SBendtrans-116.8-35.5170.6-61.9-175.3159.300110.9N251E247-N251 PolarHBondContact N-OD1 2.9Å
248T91.5Very high85.5Confident74 Ų7479 Ų7945%0.45444%0.44SS..SBendtrans-127159.6177.671.80000110.1A250 N251 C258T248-A250 PolarHBondContact O-N 3.31Å; T248-A250 VanDerWaalsContact O-N 3.13Å; T248-A250 PolarHBondContact OG1-N 3.29Å; T248-N251 PolarHBondContact N-OD1 3.01Å; T248-N251 WeakPolarHBondContact O-CB 3.37Å; T248-N251 PolarHBondContact O-N 3.11Å; T248-N251 PolarHBondContact O-OD1 3.3Å; T248-N251 PolarHBondContact OG1-OD1 3.18Å; T248-C258 VanDerWaalsContact C-CB 3.47Å; T248-C258 WeakPolarHBondContact O-CB 3.38Å
249H91.8Very high85.7Confident43 Ų4376.4 Ų76.420%0.19944%0.435CS..G310 helixtrans-61.2-22.4177.1-56.6-43.1000113.3N251 C252 L257 C258 F283 K285H249-N251 VanDerWaalsContact C-N 3.32Å; H249-C252 PolarHBondContact O-N 3.42Å; H249-L257 HydrophobicContact CB-CD2 3.98Å; H249-C258 PolarHBondContact CE1-O 2.99Å; H249-C258 PolarHBondContact ND1-N 2.74Å; H249-C258 PolarHBondContact ND1-O 3.29Å; H249-C258 VanDerWaalsContact ND1-O 3.11Å; H249-F283 AromaticContact NE2-CD1 3.37Å; H249-F283 WeakPolarHBondContact NE2-CD1 3.32Å; H249-F283 AromaticContact NE2-CG 3.35Å; H249-F283 WeakPolarHBondContact NE2-CG 3.43Å; H249-K285 HydrophobicContact CB-CD 4.14Å; H249-K285 VanDerWaalsContact O-CE 3.27Å; H249-K285 WeakPolarHBondContact O-CE 3.27Å; H249-K285 PolarHBondContact O-NZ 2.85Å
250A88.6Confident86.1Confident86 Ų8677.9 Ų77.971%0.71144%0.442SS*.G310 helixtrans-70.5-25.1176.400000113.2T248 C252T248-A250 PolarHBondContact O-N 3.31Å; T248-A250 VanDerWaalsContact O-N 3.13Å; T248-A250 PolarHBondContact OG1-N 3.29Å; A250-C252 PolarHBondContact O-N 2.79Å
251N90.2Very high87Confident86 Ų8679 Ų7946%0.4644%0.439SS..G310 helixtrans-68.8-22.6175.6-59.8110.4000112.5C246 E247 T248 H249C246-N251 HydrophobicContact CB-CB 3.88Å; E247-N251 PolarHBondContact N-OD1 2.9Å; T248-N251 PolarHBondContact N-OD1 3.01Å; T248-N251 WeakPolarHBondContact O-CB 3.37Å; T248-N251 PolarHBondContact O-N 3.11Å; T248-N251 PolarHBondContact O-OD1 3.3Å; T248-N251 PolarHBondContact OG1-OD1 3.18Å; H249-N251 VanDerWaalsContact C-N 3.32Å
252C91.5Very high88Confident4 Ų476.6 Ų76.63%0.02742%0.424CS..SBendtrans-86128.7-179.4-60.40000110.7C246 H249 A250 E256 C263 K285C246-C252 VanDerWaalsContact CB-SG 3.54Å; H249-C252 PolarHBondContact O-N 3.42Å; A250-C252 PolarHBondContact O-N 2.79Å; C252-E256 HydrophobicContact CB-CB 3.74Å; C252-C263 WeakPolarHBondContact CA-SG 3.3Å; C252-C263 HydrophobicContact CB-CB 3.75Å; C252-C263 WeakPolarHBondContact CB-SG 3.5Å; C252-C263 WeakPolarHBondContact SG-CA 3.42Å; C252-C263 WeakPolarHBondContact SG-CB 3.42Å; C252-C263 CovalentContact SG-SG 2.04Å; C252-C263 PolarHBondContact SG-SG 2.73Å; C252-K285 PolarHBondContact O-NZ 3.17Å
253P87.5Confident89.1Confident92 Ų9272.4 Ų72.460%0.59740%0.404SS*.  trans-70.6162177.530-34.8000111.8H255 E256P253-H255 PolarHBondContact O-N 3.07Å; P253-E256 PolarHBondContact O-N 3.43Å
254G88.3Confident90Very high53 Ų5364.9 Ų64.955%0.54637%0.368SS..THydrogen-bonded Turntrans51.5-122.1168.300000114.6
255H90.2Very high90.9Very high108 Ų10865.2 Ų65.250%0.536%0.359SS..THydrogen-bonded Turntrans-99.230.8-168.6-61.5176.9000113P253 M265 S266 W290P253-H255 PolarHBondContact O-N 3.07Å; H255-M265 HydrophobicContact CB-SD 4.24Å; H255-S266 CarbonylContact O-C 3.53Å; H255-S266 WeakPolarHBondContact O-CA 3.39Å; H255-S266 WeakPolarHBondContact O-CB 3.45Å; H255-S266 PolarHBondContact O-N 3.21Å; H255-S266 VanDerWaalsContact O-O 3.05Å; H255-W290 HydrophobicContact CB-CE3 4.31Å; H255-W290 HydrophobicContact CB-CH2 3.95Å; H255-W290 HydrophobicContact CB-CZ3 3.47Å; H255-W290 VanDerWaalsContact CB-CZ3 3.47Å; H255-W290 AromaticContact CD2-CH2 3.3Å; H255-W290 WeakPolarHBondContact CD2-CH2 3.47Å; H255-W290 AromaticContact CD2-CZ3 3.79Å; H255-W290 AromaticContact CG-CH2 3.62Å; H255-W290 AromaticContact CG-CZ3 3.58Å; H255-W290 AromaticContact NE2-CH2 3.96Å
256E92.6Very high91.2Very high51 Ų5159.2 Ų59.224%0.23834%0.337CS..EExtended strand (participates in β ladder)trans-113.4148.6-174.2-65179.3148.900112.2C252 P253 C263 K264 K285C252-E256 HydrophobicContact CB-CB 3.74Å; P253-E256 PolarHBondContact O-N 3.43Å; E256-C263 HydrophobicContact CB-CB 4.15Å; E256-C263 WeakPolarHBondContact OE2-CB 3.37Å; E256-K264 CarbonylContact C-O 3.5Å; E256-K264 VanDerWaalsContact CA-O 3.27Å; E256-K264 WeakPolarHBondContact CA-O 3.4Å; E256-K285 PolarHBondContact O-NZ 2.03Å
257L93.3Very high91.3Very high0 Ų060.5 Ų60.50%034%0.344CS..EExtended strand (participates in β ladder)trans-113.3140.7172.1-73.7175.9000110.4H249 V259 K264 S266 F283 K285 W290H249-L257 HydrophobicContact CB-CD2 3.98Å; L257-V259 HydrophobicContact CB-CG2 4.3Å; L257-V259 PolarHBondContact O-N 2.91Å; L257-K264 PolarHBondContact N-O 3.27Å; L257-K264 PolarHBondContact O-N 2.87Å; L257-S266 WeakPolarHBondContact CB-OG 3.28Å; L257-S266 WeakPolarHBondContact CD1-OG 3.4Å; L257-S266 VanDerWaalsContact CG-OG 3.32Å; L257-S266 WeakPolarHBondContact CG-OG 3.5Å; L257-S266 PolarHBondContact N-OG 2.88Å; L257-F283 HydrophobicContact CD1-CB 4.34Å; L257-F283 HydrophobicContact CD1-CD2 3.86Å; L257-F283 HydrophobicContact CD2-CB 4.14Å; L257-K285 HydrophobicContact CD2-CB 4.43Å; L257-K285 HydrophobicContact CD2-CD 4.3Å; L257-W290 HydrophobicContact CD1-CB 3.67Å; L257-W290 WeakPolarHBondContact CD1-O 3.35Å; L257-W290 HydrophobicContact CD2-CB 3.91Å; L257-W290 HydrophobicContact CG-CB 3.8Å
258C93.4Very high91.5Very high14 Ų1454.8 Ų54.810%0.09533%0.325CS..EExtended strand (participates in β ladder)trans-72.3111.8169.5-170.50000111.4C246 T248 H249C246-C258 HydrophobicContact CB-CB 3.61Å; C246-C258 WeakPolarHBondContact CB-SG 3.03Å; C246-C258 PolarHBondContact O-SG 2.86Å; C246-C258 WeakPolarHBondContact SG-CA 3.43Å; C246-C258 WeakPolarHBondContact SG-CB 3.04Å; C246-C258 CovalentContact SG-SG 2.02Å; C246-C258 PolarHBondContact SG-SG 2.78Å; T248-C258 VanDerWaalsContact C-CB 3.47Å; T248-C258 WeakPolarHBondContact O-CB 3.38Å; H249-C258 PolarHBondContact CE1-O 2.99Å; H249-C258 PolarHBondContact ND1-N 2.74Å; H249-C258 PolarHBondContact ND1-O 3.29Å; H249-C258 VanDerWaalsContact ND1-O 3.11Å
259V91.5Very high91.4Very high45 Ų4554 Ų5427%0.27333%0.326SS..EExtended strand (participates in β ladder)trans-134126.9176.8-179.70000108.2L257 N261 S262 K264 V292L257-V259 HydrophobicContact CB-CG2 4.3Å; L257-V259 PolarHBondContact O-N 2.91Å; V259-N261 VanDerWaalsContact C-N 3.27Å; V259-N261 PolarHBondContact O-N 3.08Å; V259-S262 PolarHBondContact N-O 3.39Å; V259-S262 PolarHBondContact O-N 2.58Å; V259-K264 HydrophobicContact CB-CG 4.17Å; V259-V292 HydrophobicContact CG2-CG2 3.66Å
260E90.7Very high91.4Very high173 Ų17356 Ų5681%0.80834%0.336SS*.THydrogen-bonded Turntrans51.745.4-176.8-60.5-178.2141.500112.7S262E260-S262 PolarHBondContact O-N 3.04Å; E260-S262 VanDerWaalsContact O-N 3.11Å
261N91.2Very high91.8Very high91 Ų9157.4 Ų57.449%0.48733%0.331SS..THydrogen-bonded Turntrans59.315.8-176.1-55.7-31.1000115.3R245 C246 V259R245-N261 CarbonylContact C-O 3.56Å; R245-N261 VanDerWaalsContact CA-O 3.22Å; R245-N261 WeakPolarHBondContact CA-O 3.04Å; R245-N261 HydrophobicContact CG-CB 4.46Å; R245-N261 VanDerWaalsContact CG-O 3.32Å; R245-N261 WeakPolarHBondContact CG-O 3.41Å; C246-N261 PolarHBondContact N-O 3.13Å; C246-N261 VanDerWaalsContact O-CA 3.23Å; C246-N261 WeakPolarHBondContact O-CA 3.28Å; V259-N261 VanDerWaalsContact C-N 3.27Å; V259-N261 PolarHBondContact O-N 3.08Å
262S91.7Very high92.1Very high46 Ų4654 Ų5432%0.32231%0.314SS..EExtended strand (participates in β ladder)trans-124.2139.4177.5-59.50000111G244 C246 V259 E260 K264G244-S262 CarbonylContact O-C 3.54Å; G244-S262 VanDerWaalsContact O-CA 3.29Å; G244-S262 WeakPolarHBondContact O-CA 3.11Å; C246-S262 PolarHBondContact SG-N 3.17Å; C246-S262 VanDerWaalsContact SG-N 3.38Å; V259-S262 PolarHBondContact N-O 3.39Å; V259-S262 PolarHBondContact O-N 2.58Å; E260-S262 PolarHBondContact O-N 3.04Å; E260-S262 VanDerWaalsContact O-N 3.11Å; S262-K264 PolarHBondContact O-N 2.71Å
263C92.5Very high92.3Very high21 Ų2159.6 Ų59.614%0.14235%0.348CS..EExtended strand (participates in β ladder)trans-73.8117.4172.9-64.20000109.8G244 C252 E256G244-C263 PolarHBondContact O-N 3.42Å; C252-C263 WeakPolarHBondContact CA-SG 3.3Å; C252-C263 HydrophobicContact CB-CB 3.75Å; C252-C263 WeakPolarHBondContact CB-SG 3.5Å; C252-C263 WeakPolarHBondContact SG-CA 3.42Å; C252-C263 WeakPolarHBondContact SG-CB 3.42Å; C252-C263 CovalentContact SG-SG 2.04Å; C252-C263 PolarHBondContact SG-SG 2.73Å; E256-C263 HydrophobicContact CB-CB 4.15Å; E256-C263 WeakPolarHBondContact OE2-CB 3.37Å
264K92.2Very high92.7Very high39 Ų3959.3 Ų59.317%0.1734%0.339CS..EExtended strand (participates in β ladder)trans-112.5136179.2-58.6-63.6179.2-178.60110E256 L257 V259 S262 S266 V292 E301E256-K264 CarbonylContact C-O 3.5Å; E256-K264 VanDerWaalsContact CA-O 3.27Å; E256-K264 WeakPolarHBondContact CA-O 3.4Å; L257-K264 PolarHBondContact N-O 3.27Å; L257-K264 PolarHBondContact O-N 2.87Å; V259-K264 HydrophobicContact CB-CG 4.17Å; S262-K264 PolarHBondContact O-N 2.71Å; K264-S266 PolarHBondContact O-N 2.9Å; K264-S266 PolarHBondContact O-OG 2.66Å; K264-S266 VanDerWaalsContact O-OG 3.07Å; K264-V292 HydrophobicContact CB-CG1 4.28Å; K264-E301 IonicContact NZ-OE1 3.21Å; K264-E301 PolarHBondContact NZ-OE1 3.2Å; K264-E301 IonicContact NZ-OE2 3.67Å; K264-E301 PolarHBondContact NZ-OE2 3.43Å
265M92.4Very high92.9Very high48 Ų4860.6 Ų60.624%0.23633%0.333CS..EExtended strand (participates in β ladder)trans-51.6135172.9-17456.362.200110.4H255 G293 D299H255-M265 HydrophobicContact CB-SD 4.24Å; M265-G293 CarbonylContact C-O 3.53Å; M265-G293 PolarHBondContact O-N 3.15Å; M265-G293 VanDerWaalsContact O-N 3.1Å; M265-D299 HydrophobicContact CB-CB 4.03Å; M265-D299 HydrophobicContact CG-CB 4.08Å
266S94.1Very high93.1Very high2 Ų262.8 Ų62.81%0.01434%0.341CS..EExtended strand (participates in β ladder)trans-139152.1-175.4-63.60000110.5H255 L257 K264 K291H255-S266 CarbonylContact O-C 3.53Å; H255-S266 WeakPolarHBondContact O-CA 3.39Å; H255-S266 WeakPolarHBondContact O-CB 3.45Å; H255-S266 PolarHBondContact O-N 3.21Å; H255-S266 VanDerWaalsContact O-O 3.05Å; L257-S266 WeakPolarHBondContact CB-OG 3.28Å; L257-S266 WeakPolarHBondContact CD1-OG 3.4Å; L257-S266 VanDerWaalsContact CG-OG 3.32Å; L257-S266 WeakPolarHBondContact CG-OG 3.5Å; L257-S266 PolarHBondContact N-OG 2.88Å; K264-S266 PolarHBondContact O-N 2.9Å; K264-S266 PolarHBondContact O-OG 2.66Å; K264-S266 VanDerWaalsContact O-OG 3.07Å; S266-K291 CarbonylContact C-O 3.52Å; S266-K291 WeakPolarHBondContact CA-O 3.38Å; S266-K291 WeakPolarHBondContact CB-O 3.24Å
267V93.9Very high93.3Very high30 Ų3063.2 Ų63.218%0.18235%0.345CS..EExtended strand (participates in β ladder)trans-106.6132.3-178.8-177.70000109.1W290 K291 L295 Q310V267-W290 WeakPolarHBondContact O-CA 3.26Å; V267-K291 PolarHBondContact N-O 3.07Å; V267-K291 PolarHBondContact O-N 3.03Å; V267-L295 HydrophobicContact CG2-CD2 4.4Å; V267-Q310 HydrophobicContact CG2-CB 4Å
268A92.9Very high93.4Very high44 Ų4464 Ų6436%0.36435%0.35SS..EExtended strand (participates in β ladder)trans-72.2141174.400000111.5K288 C289 W290A268-K288 HydrophobicContact CB-CD 4.43Å; A268-C289 CarbonylContact C-O 3.51Å; A268-C289 WeakPolarHBondContact CA-O 3.36Å; A268-W290 HydrophobicContact CB-CD2 4.28Å; A268-W290 HydrophobicContact CB-CE3 3.95Å; A268-W290 HydrophobicContact CB-CH2 3.74Å; A268-W290 HydrophobicContact CB-CZ2 4.1Å; A268-W290 HydrophobicContact CB-CZ3 3.65Å
269A89.7Confident93.3Very high58 Ų5870.1 Ų70.148%0.47938%0.377SS..EExtended strand (participates in β ladder)trans-116.6-134.9172.200000109.6C289A269-C289 HydrophobicContact CB-CB 4.13Å; A269-C289 PolarHBondContact N-O 3.49Å
270H92.2Very high93.3Very high86 Ų8677.7 Ų77.740%0.39841%0.407SS..EExtended strand (participates in β ladder)trans-78.5167.4178.660.8-78000112.7D277 C289H270-D277 PolarHBondContact NE2-O 2.94Å; H270-C289 WeakPolarHBondContact O-CB 3.47Å; H270-C289 PolarHBondContact O-N 3.01Å
271D96.4Very high93.2Very high115 Ų11571.6 Ų71.662%0.61539%0.391SS*.EExtended strand (participates in β ladder)trans-70.2150.1178.5-54.4-38000111.2E287 K288D271-E287 CarbonylContact C-O 3.56Å; D271-E287 WeakPolarHBondContact CA-O 3.33Å; D271-K288 WeakPolarHBondContact OD1-CE 3.19Å
272C96.4Very high93.3Very high14 Ų1467.9 Ų67.910%0.09537%0.372CS..  trans-146.4166.3-17861.70000111.8D277 C284 E287 K288 C289C272-D277 HydrophobicContact CB-CB 3.92Å; C272-C284 HydrophobicContact CB-CB 3.89Å; C272-C284 WeakPolarHBondContact CB-SG 3.41Å; C272-C284 WeakPolarHBondContact SG-CA 3.31Å; C272-C284 WeakPolarHBondContact SG-CB 3.41Å; C272-C284 CovalentContact SG-SG 2.03Å; C272-C284 PolarHBondContact SG-SG 3.26Å; C272-E287 PolarHBondContact N-O 3.38Å; C272-E287 CarbonylContact O-C 3.44Å; C272-E287 VanDerWaalsContact O-CA 3.31Å; C272-E287 WeakPolarHBondContact O-CA 3.46Å; C272-K288 VanDerWaalsContact SG-CA 3.59Å; C272-K288 PolarHBondContact SG-N 2.81Å; C272-K288 VanDerWaalsContact SG-N 3.44Å; C272-K288 PolarHBondContact SG-O 3.42Å; C272-C289 WeakPolarHBondContact CB-SG 3.46Å; C272-C289 PolarHBondContact SG-N 2.93Å; C272-C289 VanDerWaalsContact SG-N 3.38Å
273T96.2Very high93.4Very high122 Ų12268.9 Ų68.975%0.74837%0.371SS*.SBendtrans-121.5-28.5179.188.20000110.3D277T273-D277 WeakPolarHBondContact CA-OD2 3.28Å; T273-D277 WeakPolarHBondContact CB-OD2 3.49Å; T273-D277 PolarHBondContact N-OD2 2.96Å; T273-D277 PolarHBondContact OG1-OD2 3.05Å
274E94.9Very high93.5Very high86 Ų8669.1 Ų69.140%0.40237%0.372SS..SBendtrans-153.9168.3171.544.2169.4-79.900110.9K276 D277 C284E274-K276 HydrophobicContact CG-CD 4.41Å; E274-K276 HydrophobicContact CG-CG 3.99Å; E274-K276 PolarHBondContact O-N 2.68Å; E274-K276 VanDerWaalsContact O-N 3.12Å; E274-K276 WeakPolarHBondContact OE1-CD 3.46Å; E274-K276 WeakPolarHBondContact OE1-CE 2.93Å; E274-K276 WeakPolarHBondContact OE1-CG 2.9Å; E274-K276 IonicContact OE1-NZ 2.67Å; E274-K276 PolarHBondContact OE1-NZ 2.92Å; E274-K276 WeakPolarHBondContact OE2-CE 3.45Å; E274-K276 IonicContact OE2-NZ 2.72Å; E274-K276 PolarHBondContact OE2-NZ 2.76Å; E274-D277 PolarHBondContact N-OD2 2.03Å; E274-D277 WeakPolarHBondContact O-CB 3.38Å; E274-D277 PolarHBondContact O-N 2.9Å; E274-C284 VanDerWaalsContact C-CB 3.44Å
275D93.3Very high93.6Very high79 Ų7967.9 Ų67.942%0.42237%0.367SS..G310 helixtrans-58.4-29.9-172.7-69.5-12.8000114.1D277 C278 C284D275-D277 PolarHBondContact O-N 3.03Å; D275-C278 VanDerWaalsContact O-CB 3.29Å; D275-C278 WeakPolarHBondContact O-CB 3.45Å; D275-C278 PolarHBondContact O-N 3.1Å; D275-C284 WeakPolarHBondContact OD1-CB 3.4Å; D275-C284 PolarHBondContact OD1-N 2.86Å
276K94.2Very high93.6Very high154 Ų15471.7 Ų71.767%0.6739%0.388SS*.G310 helixtrans-67.1-20.4-179.978.6-178.1176.2-135.30113.2E274 C278E274-K276 HydrophobicContact CG-CD 4.41Å; E274-K276 HydrophobicContact CG-CG 3.99Å; E274-K276 PolarHBondContact O-N 2.68Å; E274-K276 VanDerWaalsContact O-N 3.12Å; E274-K276 WeakPolarHBondContact OE1-CD 3.46Å; E274-K276 WeakPolarHBondContact OE1-CE 2.93Å; E274-K276 WeakPolarHBondContact OE1-CG 2.9Å; E274-K276 IonicContact OE1-NZ 2.67Å; E274-K276 PolarHBondContact OE1-NZ 2.92Å; E274-K276 WeakPolarHBondContact OE2-CE 3.45Å; E274-K276 IonicContact OE2-NZ 2.72Å; E274-K276 PolarHBondContact OE2-NZ 2.76Å; K276-C278 PolarHBondContact O-N 2.93Å
277D95.7Very high93.5Very high60 Ų6079 Ų7932%0.32142%0.423SS..G310 helixtrans-72.9-16175.9-55.8-32.6000110.9H270 C272 T273 E274 D275H270-D277 PolarHBondContact NE2-O 2.94Å; C272-D277 HydrophobicContact CB-CB 3.92Å; T273-D277 WeakPolarHBondContact CA-OD2 3.28Å; T273-D277 WeakPolarHBondContact CB-OD2 3.49Å; T273-D277 PolarHBondContact N-OD2 2.96Å; T273-D277 PolarHBondContact OG1-OD2 3.05Å; E274-D277 PolarHBondContact N-OD2 2.03Å; E274-D277 WeakPolarHBondContact O-CB 3.38Å; E274-D277 PolarHBondContact O-N 2.9Å; D275-D277 PolarHBondContact O-N 3.03Å
278C95.6Very high93.6Very high17 Ų1781.9 Ų81.912%0.11543%0.432CS..SBendtrans-90.3153.3-177.6-57.90000112.6D275 K276 A282 C289D275-C278 VanDerWaalsContact O-CB 3.29Å; D275-C278 WeakPolarHBondContact O-CB 3.45Å; D275-C278 PolarHBondContact O-N 3.1Å; K276-C278 PolarHBondContact O-N 2.93Å; C278-A282 HydrophobicContact CB-CB 3.84Å; C278-C289 WeakPolarHBondContact CA-SG 3.48Å; C278-C289 HydrophobicContact CB-CB 3.82Å; C278-C289 WeakPolarHBondContact CB-SG 3.39Å; C278-C289 WeakPolarHBondContact SG-CA 3.22Å; C278-C289 WeakPolarHBondContact SG-CB 3.26Å; C278-C289 CovalentContact SG-SG 2.04Å; C278-C289 PolarHBondContact SG-SG 3.28Å
279Q92.2Very high93.7Very high142 Ų14279.8 Ų79.866%0.66442%0.415SS*.PPolyproline II helixtrans-63.6158172.4-67.3-176.3-16.500110.7G281 A282Q279-G281 PolarHBondContact O-N 2.85Å; Q279-A282 WeakPolarHBondContact O-CB 3.48Å; Q279-A282 PolarHBondContact O-N 3.36Å
280K90.5Very high94Very high204 Ų20477.9 Ų77.989%0.88740%0.396SS*.THydrogen-bonded Turntrans-50.6125179.9-173.6177.5-179.4178.70112A282K280-A282 VanDerWaalsContact C-N 3.33Å
281G88.1Confident94.1Very high46 Ų4678.6 Ų78.647%0.47440%0.398SS..THydrogen-bonded Turntrans81.47.9179.900000114.6Q279Q279-G281 PolarHBondContact O-N 2.85Å
282A93.9Very high93.9Very high12 Ų1276.3 Ų76.310%0.09939%0.388CS..EExtended strand (participates in β ladder)trans-104.8155.9167.400000110.2C278 Q279 K280 W290 K291C278-A282 HydrophobicContact CB-CB 3.84Å; Q279-A282 WeakPolarHBondContact O-CB 3.48Å; Q279-A282 PolarHBondContact O-N 3.36Å; K280-A282 VanDerWaalsContact C-N 3.33Å; A282-W290 CarbonylContact C-O 3.51Å; A282-W290 WeakPolarHBondContact CA-O 3.44Å; A282-W290 VanDerWaalsContact CB-O 3.26Å; A282-W290 WeakPolarHBondContact CB-O 3.18Å; A282-K291 HydrophobicContact CB-CB 4.02Å
283F94.6Very high93.8Very high68 Ų6875.9 Ų75.930%0.29839%0.386SS..EExtended strand (participates in β ladder)trans-131.7145.1-173.9-60-89.4000110.3H249 L257 C289 W290H249-F283 AromaticContact NE2-CD1 3.37Å; H249-F283 WeakPolarHBondContact NE2-CD1 3.32Å; H249-F283 AromaticContact NE2-CG 3.35Å; H249-F283 WeakPolarHBondContact NE2-CG 3.43Å; L257-F283 HydrophobicContact CD1-CB 4.34Å; L257-F283 HydrophobicContact CD1-CD2 3.86Å; L257-F283 HydrophobicContact CD2-CB 4.14Å; F283-C289 CarbonylContact O-C 3.57Å; F283-C289 WeakPolarHBondContact O-CA 3.19Å; F283-W290 PolarHBondContact N-O 2.04Å; F283-W290 PolarHBondContact O-N 2.86Å
284C94.6Very high93.7Very high25 Ų2570.1 Ų70.117%0.16935%0.35CS..EExtended strand (participates in β ladder)trans-84.2118.7179-167.40000110.3C272 E274 D275C272-C284 HydrophobicContact CB-CB 3.89Å; C272-C284 WeakPolarHBondContact CB-SG 3.41Å; C272-C284 WeakPolarHBondContact SG-CA 3.31Å; C272-C284 WeakPolarHBondContact SG-CB 3.41Å; C272-C284 CovalentContact SG-SG 2.03Å; C272-C284 PolarHBondContact SG-SG 3.26Å; E274-C284 VanDerWaalsContact C-CB 3.44Å; D275-C284 WeakPolarHBondContact OD1-CB 3.4Å; D275-C284 PolarHBondContact OD1-N 2.86Å
285K93.7Very high93.6Very high14 Ų1471.1 Ų71.16%0.06136%0.358CS..EExtended strand (participates in β ladder)trans-141.4129.6175171.8-176.7172.2172.50109.2H249 C252 E256 L257 E287 K288 W290H249-K285 HydrophobicContact CB-CD 4.14Å; H249-K285 VanDerWaalsContact O-CE 3.27Å; H249-K285 WeakPolarHBondContact O-CE 3.27Å; H249-K285 PolarHBondContact O-NZ 2.85Å; C252-K285 PolarHBondContact O-NZ 3.17Å; E256-K285 PolarHBondContact O-NZ 2.03Å; L257-K285 HydrophobicContact CD2-CB 4.43Å; L257-K285 HydrophobicContact CD2-CD 4.3Å; K285-E287 VanDerWaalsContact C-N 3.29Å; K285-E287 PolarHBondContact O-N 3.04Å; K285-K288 PolarHBondContact N-O 3.15Å; K285-K288 PolarHBondContact O-N 2.81Å; K285-W290 PolarHBondContact O-NE1 2.88Å
286N91.6Very high93.5Very high127 Ų12773.2 Ų73.268%0.67936%0.363SS*.THydrogen-bonded Turntrans50.849.5-177.9-58.8-22.9000112K288N286-K288 PolarHBondContact O-N 3.3Å
287E93.8Very high93.5Very high157 Ų15767.7 Ų67.773%0.73434%0.34SS*.THydrogen-bonded Turntrans63.412.2177.4-50.8176.2139.500115D271 C272 K285D271-E287 CarbonylContact C-O 3.56Å; D271-E287 WeakPolarHBondContact CA-O 3.33Å; C272-E287 PolarHBondContact N-O 3.38Å; C272-E287 CarbonylContact O-C 3.44Å; C272-E287 VanDerWaalsContact O-CA 3.31Å; C272-E287 WeakPolarHBondContact O-CA 3.46Å; K285-E287 VanDerWaalsContact C-N 3.29Å; K285-E287 PolarHBondContact O-N 3.04Å
288K94.9Very high93.3Very high89 Ų8969.2 Ų69.239%0.38735%0.348SS..EExtended strand (participates in β ladder)trans-127.6144.7175.5-71-164.8173-169.70112.1A268 D271 C272 K285 N286 W290A268-K288 HydrophobicContact CB-CD 4.43Å; D271-K288 WeakPolarHBondContact OD1-CE 3.19Å; C272-K288 VanDerWaalsContact SG-CA 3.59Å; C272-K288 PolarHBondContact SG-N 2.81Å; C272-K288 VanDerWaalsContact SG-N 3.44Å; C272-K288 PolarHBondContact SG-O 3.42Å; K285-K288 PolarHBondContact N-O 3.15Å; K285-K288 PolarHBondContact O-N 2.81Å; N286-K288 PolarHBondContact O-N 3.3Å; K288-W290 HydrophobicContact CB-CZ2 4.49Å; K288-W290 PolarHBondContact O-NE1 2.85Å
289C95.7Very high93.1Very high1 Ų170 Ų701%0.00735%0.351CS..EExtended strand (participates in β ladder)trans-75129.3170.1-69.80000109.7A268 A269 H270 C272 C278 F283A268-C289 CarbonylContact C-O 3.51Å; A268-C289 WeakPolarHBondContact CA-O 3.36Å; A269-C289 HydrophobicContact CB-CB 4.13Å; A269-C289 PolarHBondContact N-O 3.49Å; H270-C289 WeakPolarHBondContact O-CB 3.47Å; H270-C289 PolarHBondContact O-N 3.01Å; C272-C289 WeakPolarHBondContact CB-SG 3.46Å; C272-C289 PolarHBondContact SG-N 2.93Å; C272-C289 VanDerWaalsContact SG-N 3.38Å; C278-C289 WeakPolarHBondContact CA-SG 3.48Å; C278-C289 HydrophobicContact CB-CB 3.82Å; C278-C289 WeakPolarHBondContact CB-SG 3.39Å; C278-C289 WeakPolarHBondContact SG-CA 3.22Å; C278-C289 WeakPolarHBondContact SG-CB 3.26Å; C278-C289 CovalentContact SG-SG 2.04Å; C278-C289 PolarHBondContact SG-SG 3.28Å; F283-C289 CarbonylContact O-C 3.57Å; F283-C289 WeakPolarHBondContact O-CA 3.19Å
290W95.1Very high93.1Very high18 Ų1863.5 Ų63.57%0.06832%0.321CS..EExtended strand (participates in β ladder)trans-119.4141.6175.9-61.684.2000109.4H255 L257 V267 A268 A282 F283 K285 K288H255-W290 HydrophobicContact CB-CE3 4.31Å; H255-W290 HydrophobicContact CB-CH2 3.95Å; H255-W290 HydrophobicContact CB-CZ3 3.47Å; H255-W290 VanDerWaalsContact CB-CZ3 3.47Å; H255-W290 AromaticContact CD2-CH2 3.3Å; H255-W290 WeakPolarHBondContact CD2-CH2 3.47Å; H255-W290 AromaticContact CD2-CZ3 3.79Å; H255-W290 AromaticContact CG-CH2 3.62Å; H255-W290 AromaticContact CG-CZ3 3.58Å; H255-W290 AromaticContact NE2-CH2 3.96Å; L257-W290 HydrophobicContact CD1-CB 3.67Å; L257-W290 WeakPolarHBondContact CD1-O 3.35Å; L257-W290 HydrophobicContact CD2-CB 3.91Å; L257-W290 HydrophobicContact CG-CB 3.8Å; V267-W290 WeakPolarHBondContact O-CA 3.26Å; A268-W290 HydrophobicContact CB-CD2 4.28Å; A268-W290 HydrophobicContact CB-CE3 3.95Å; A268-W290 HydrophobicContact CB-CH2 3.74Å; A268-W290 HydrophobicContact CB-CZ2 4.1Å; A268-W290 HydrophobicContact CB-CZ3 3.65Å; A282-W290 CarbonylContact C-O 3.51Å; A282-W290 WeakPolarHBondContact CA-O 3.44Å; A282-W290 VanDerWaalsContact CB-O 3.26Å; A282-W290 WeakPolarHBondContact CB-O 3.18Å; F283-W290 PolarHBondContact N-O 2.04Å; F283-W290 PolarHBondContact O-N 2.86Å; K285-W290 PolarHBondContact O-NE1 2.88Å; K288-W290 HydrophobicContact CB-CZ2 4.49Å; K288-W290 PolarHBondContact O-NE1 2.85Å
291K94.1Very high93.1Very high101 Ų10159.9 Ų59.944%0.43931%0.307SS..EExtended strand (participates in β ladder)trans-128.1138.5172-173.6173178.2173.90109.3S266 V267 A282 G293S266-K291 CarbonylContact C-O 3.52Å; S266-K291 WeakPolarHBondContact CA-O 3.38Å; S266-K291 WeakPolarHBondContact CB-O 3.24Å; V267-K291 PolarHBondContact N-O 3.07Å; V267-K291 PolarHBondContact O-N 3.03Å; A282-K291 HydrophobicContact CB-CB 4.02Å; K291-G293 PolarHBondContact O-N 3.31Å
292V93.2Very high93.3Very high66 Ų6660.4 Ų60.440%0.431%0.313SS..EExtended strand (participates in β ladder)trans-51.8125.9172.6179.90000109V259 K264V259-V292 HydrophobicContact CG2-CG2 3.66Å; K264-V292 HydrophobicContact CB-CG1 4.28Å
293G93.6Very high93.3Very high6 Ų661.7 Ų61.76%0.06232%0.324CS..  trans-168.7-163.7-17200000110.5M265 K291 Q310M265-G293 CarbonylContact C-O 3.53Å; M265-G293 PolarHBondContact O-N 3.15Å; M265-G293 VanDerWaalsContact O-N 3.1Å; K291-G293 PolarHBondContact O-N 3.31Å; G293-Q310 WeakPolarHBondContact CA-O 3.42Å
294C94.2Very high93.3Very high0 Ų059.7 Ų59.70%032%0.317CS..  trans-150.9153.3-173.756.90000110.9D299 C300 C306 Q310C294-D299 HydrophobicContact CB-CB 3.86Å; C294-C300 VanDerWaalsContact CB-SG 3.55Å; C294-C300 VanDerWaalsContact SG-SG 3.62Å; C294-C306 HydrophobicContact CB-CB 3.63Å; C294-C306 WeakPolarHBondContact CB-SG 3.38Å; C294-C306 PolarHBondContact O-SG 3.42Å; C294-C306 WeakPolarHBondContact SG-CA 3.05Å; C294-C306 WeakPolarHBondContact SG-CB 3.43Å; C294-C306 CovalentContact SG-SG 2.03Å; C294-C306 PolarHBondContact SG-SG 3.27Å; C294-Q310 PolarHBondContact N-O 3.22Å; C294-Q310 VanDerWaalsContact N-O 3.11Å; C294-Q310 VanDerWaalsContact O-CB 3.22Å; C294-Q310 WeakPolarHBondContact O-CB 3.29Å; C294-Q310 WeakPolarHBondContact O-CG 3.19Å
295L92Very high93.3Very high108 Ų10858.5 Ų58.557%0.56531%0.309SS*.SBendtrans-112.5-29.7172.3-62.4177.8000111.3V267 D299V267-L295 HydrophobicContact CG2-CD2 4.4Å; L295-D299 WeakPolarHBondContact CA-OD2 3.02Å; L295-D299 PolarHBondContact N-OD2 3.48Å
296K92.2Very high93.4Very high122 Ų12258.3 Ų58.353%0.5331%0.309SS..SBendtrans-134.4164.5176.456.7173.6179.4175.10110.9D298 D299 C306K296-D298 HydrophobicContact CD-CB 4.28Å; K296-D298 PolarHBondContact O-N 3.39Å; K296-D299 WeakPolarHBondContact CE-OD1 3.14Å; K296-D299 VanDerWaalsContact CG-CG 3.4Å; K296-D299 VanDerWaalsContact CG-OD1 3.24Å; K296-D299 WeakPolarHBondContact CG-OD1 3.21Å; K296-D299 VanDerWaalsContact CG-OD2 3.26Å; K296-D299 WeakPolarHBondContact CG-OD2 3.31Å; K296-D299 PolarHBondContact N-OD2 3.42Å; K296-D299 WeakPolarHBondContact O-CB 3.27Å; K296-D299 PolarHBondContact O-N 3.32Å; K296-D299 VanDerWaalsContact O-N 3.17Å; K296-C306 WeakPolarHBondContact O-CB 3.34Å
297H93.1Very high93.4Very high39 Ų3953.6 Ų53.618%0.18128%0.284CS..G310 helixtrans-62.4-29.6-177.7-59.1-51.6000113.8D299 C300 L305 C306 D325 A333 K335H297-D299 VanDerWaalsContact C-N 3.29Å; H297-D299 PolarHBondContact O-N 3.4Å; H297-C300 WeakPolarHBondContact O-CB 3.49Å; H297-C300 PolarHBondContact O-N 2.88Å; H297-L305 HydrophobicContact CB-CD2 3.81Å; H297-C306 PolarHBondContact CE1-O 2.02Å; H297-C306 PolarHBondContact ND1-N 3.38Å; H297-C306 PolarHBondContact ND1-O 2.96Å; H297-C306 VanDerWaalsContact ND1-O 3.16Å; H297-D325 IonicContact CD2-OD1 3.94Å; H297-D325 IonicContact CD2-OD2 3.98Å; H297-D325 IonicContact NE2-OD2 3.91Å; H297-A333 VanDerWaalsContact CD2-CB 3.42Å; H297-A333 WeakPolarHBondContact CD2-CB 3.33Å; H297-A333 VanDerWaalsContact NE2-CB 3.3Å; H297-A333 WeakPolarHBondContact NE2-CB 2.94Å; H297-K335 HydrophobicContact CB-CB 4.3Å; H297-K335 HydrophobicContact CB-CD 4.39Å; H297-K335 HydrophobicContact CB-CG 4.38Å; H297-K335 WeakPolarHBondContact O-CD 3.47Å; H297-K335 WeakPolarHBondContact O-CE 2.93Å
298D91.5Very high93.3Very high92 Ų9251.3 Ų51.349%0.49229%0.292SS..G310 helixtrans-72.6-18.4178.6-65.3-30000113.8K296 C300K296-D298 HydrophobicContact CD-CB 4.28Å; K296-D298 PolarHBondContact O-N 3.39Å; D298-C300 PolarHBondContact O-N 2.88Å
299D92.3Very high93.2Very high34 Ų3455.4 Ų55.418%0.18231%0.31CS..G310 helixtrans-70.8-18.7175.7-56.4-27.5000111.7M265 C294 L295 K296 H297M265-D299 HydrophobicContact CB-CB 4.03Å; M265-D299 HydrophobicContact CG-CB 4.08Å; C294-D299 HydrophobicContact CB-CB 3.86Å; L295-D299 WeakPolarHBondContact CA-OD2 3.02Å; L295-D299 PolarHBondContact N-OD2 3.48Å; K296-D299 WeakPolarHBondContact CE-OD1 3.14Å; K296-D299 VanDerWaalsContact CG-CG 3.4Å; K296-D299 VanDerWaalsContact CG-OD1 3.24Å; K296-D299 WeakPolarHBondContact CG-OD1 3.21Å; K296-D299 VanDerWaalsContact CG-OD2 3.26Å; K296-D299 WeakPolarHBondContact CG-OD2 3.31Å; K296-D299 PolarHBondContact N-OD2 3.42Å; K296-D299 WeakPolarHBondContact O-CB 3.27Å; K296-D299 PolarHBondContact O-N 3.32Å; K296-D299 VanDerWaalsContact O-N 3.17Å; H297-D299 VanDerWaalsContact C-N 3.29Å; H297-D299 PolarHBondContact O-N 3.4Å
300C92.8Very high93.1Very high4 Ų459.4 Ų59.43%0.02733%0.328CS..SBendtrans-88.8138.3-179.9-68.80000110.6C294 H297 D298 T304 C306 C312 K335C294-C300 VanDerWaalsContact CB-SG 3.55Å; C294-C300 VanDerWaalsContact SG-SG 3.62Å; H297-C300 WeakPolarHBondContact O-CB 3.49Å; H297-C300 PolarHBondContact O-N 2.88Å; D298-C300 PolarHBondContact O-N 2.88Å; C300-T304 WeakPolarHBondContact CB-OG1 3.43Å; C300-C306 PolarHBondContact SG-N 3.05Å; C300-C306 VanDerWaalsContact SG-N 3.44Å; C300-C312 WeakPolarHBondContact CA-SG 3.31Å; C300-C312 HydrophobicContact CB-CB 3.73Å; C300-C312 WeakPolarHBondContact CB-SG 3.33Å; C300-C312 WeakPolarHBondContact SG-CA 3.09Å; C300-C312 WeakPolarHBondContact SG-CB 2.93Å; C300-C312 CovalentContact SG-SG 2.04Å; C300-C312 PolarHBondContact SG-SG 2.94Å; C300-K335 VanDerWaalsContact O-CE 3.25Å; C300-K335 WeakPolarHBondContact O-CE 3.07Å; C300-K335 PolarHBondContact O-NZ 2.05Å
301E90.6Very high93Very high128 Ų12861.3 Ų61.360%0.59834%0.342SS*.  trans-88.5152.1-179.2-67.3-179.6139.200112.8K264 T304K264-E301 IonicContact NZ-OE1 3.21Å; K264-E301 PolarHBondContact NZ-OE1 3.2Å; K264-E301 IonicContact NZ-OE2 3.67Å; K264-E301 PolarHBondContact NZ-OE2 3.43Å; E301-T304 PolarHBondContact O-OG1 2.84Å
302G91.2Very high93Very high57 Ų5759.2 Ų59.259%0.58834%0.34SS*.SBendtrans56.2-141.1175.500000113.6T304 K335G302-T304 PolarHBondContact O-N 3.43Å; G302-K335 PolarHBondContact O-NZ 3.1Å
303A93.9Very high93.1Very high40 Ų4059.7 Ų59.733%0.33134%0.337SS..SBendtrans-81.446.2-175.600000113Q314 A315 W340A303-Q314 PolarHBondContact O-NE2 3Å; A303-A315 PolarHBondContact O-N 2.93Å; A303-A315 VanDerWaalsContact O-O 3.05Å; A303-W340 HydrophobicContact CB-CH2 4.13Å; A303-W340 HydrophobicContact CB-CZ3 3.65Å
304T95.3Very high93.2Very high26 Ų2664.5 Ų64.516%0.1636%0.358CS..EExtended strand (participates in β ladder)trans-127.6151.5179.463.20000111.9C300 E301 G302 Q313 K335C300-T304 WeakPolarHBondContact CB-OG1 3.43Å; E301-T304 PolarHBondContact O-OG1 2.84Å; G302-T304 PolarHBondContact O-N 3.43Å; T304-Q313 CarbonylContact C-O 3.52Å; T304-Q313 WeakPolarHBondContact CA-O 3.5Å; T304-Q313 VanDerWaalsContact CB-O 3.29Å; T304-Q313 WeakPolarHBondContact CB-O 3.46Å; T304-K335 WeakPolarHBondContact O-CD 3.38Å; T304-K335 PolarHBondContact O-NZ 3.41Å
305L94.6Very high93.2Very high0 Ų064.6 Ų64.60%036%0.359CS..EExtended strand (participates in β ladder)trans-120.7145.2176-72.2175.7000109.9H297 N307 C312 Q313 A315 A333 K335 W340 F342H297-L305 HydrophobicContact CB-CD2 3.81Å; L305-N307 PolarHBondContact O-N 2.9Å; L305-C312 WeakPolarHBondContact O-CA 3.35Å; L305-Q313 PolarHBondContact N-O 3.24Å; L305-Q313 PolarHBondContact O-N 3.45Å; L305-A315 HydrophobicContact CB-CB 4.13Å; L305-A315 HydrophobicContact CD1-CB 3.73Å; L305-A315 HydrophobicContact CG-CB 3.54Å; L305-A333 HydrophobicContact CD1-CB 3.96Å; L305-A333 HydrophobicContact CD2-CB 3.91Å; L305-K335 HydrophobicContact CD2-CB 3.97Å; L305-K335 HydrophobicContact CD2-CD 3.97Å; L305-W340 HydrophobicContact CD1-CB 3.72Å; L305-W340 HydrophobicContact CD2-CB 4Å; L305-W340 HydrophobicContact CD2-CG 4.41Å; L305-W340 HydrophobicContact CG-CB 4.05Å; L305-F342 HydrophobicContact CB-CD1 4.14Å; L305-F342 HydrophobicContact CB-CE1 3.46Å; L305-F342 VanDerWaalsContact CB-CE1 3.46Å; L305-F342 HydrophobicContact CB-CZ 3.8Å; L305-F342 HydrophobicContact CD1-CD1 4.48Å; L305-F342 HydrophobicContact CD1-CE1 4.31Å; L305-F342 HydrophobicContact CD1-CE2 4.46Å; L305-F342 HydrophobicContact CD1-CZ 4.28Å
306C95.1Very high93.3Very high10 Ų1065.2 Ų65.27%0.06836%0.357CS..EExtended strand (participates in β ladder)trans-69.4121.3169.6-165.80000111.1C294 K296 H297 C300C294-C306 HydrophobicContact CB-CB 3.63Å; C294-C306 WeakPolarHBondContact CB-SG 3.38Å; C294-C306 PolarHBondContact O-SG 3.42Å; C294-C306 WeakPolarHBondContact SG-CA 3.05Å; C294-C306 WeakPolarHBondContact SG-CB 3.43Å; C294-C306 CovalentContact SG-SG 2.03Å; C294-C306 PolarHBondContact SG-SG 3.27Å; K296-C306 WeakPolarHBondContact O-CB 3.34Å; H297-C306 PolarHBondContact CE1-O 2.02Å; H297-C306 PolarHBondContact ND1-N 3.38Å; H297-C306 PolarHBondContact ND1-O 2.96Å; H297-C306 VanDerWaalsContact ND1-O 3.16Å; C300-C306 PolarHBondContact SG-N 3.05Å; C300-C306 VanDerWaalsContact SG-N 3.44Å
307N93.3Very high93.4Very high27 Ų2765.8 Ų65.814%0.14436%0.356CS..  trans-92.8174.7175.268.918.8000112.1L305 K309 Q310 T311 Q313 F342L305-N307 PolarHBondContact O-N 2.9Å; N307-K309 PolarHBondContact O-N 2.86Å; N307-K309 VanDerWaalsContact O-N 3.09Å; N307-K309 WeakPolarHBondContact OD1-CA 3.4Å; N307-K309 WeakPolarHBondContact OD1-CB 3.44Å; N307-K309 PolarHBondContact OD1-N 2.83Å; N307-Q310 WeakPolarHBondContact O-CA 2.93Å; N307-Q310 PolarHBondContact O-N 3.37Å; N307-Q310 PolarHBondContact OD1-N 2.88Å; N307-T311 VanDerWaalsContact CG-O 3.22Å; N307-T311 PolarHBondContact N-O 3.19Å; N307-T311 PolarHBondContact ND2-OG1 3.5Å; N307-T311 PolarHBondContact OD1-N 2.83Å; N307-T311 PolarHBondContact OD1-O 2.71Å; N307-T311 PolarHBondContact OD1-OG1 3.09Å; N307-Q313 PolarHBondContact ND2-OE1 3.23Å; N307-F342 HydrophobicContact CB-CE1 3.88Å; N307-F342 HydrophobicContact CB-CZ 3.91Å
308A91.3Very high93.3Very high109 Ų10969.3 Ų69.390%0.90137%0.371SS*.THydrogen-bonded Turntrans-62.3-17.117900000114.3
309K91.9Very high92.7Very high176 Ų17666 Ų6677%0.76536%0.358SS*.THydrogen-bonded Turntrans-87.58.8173.1-61.6-177.6180178.40112.4N307 T311N307-K309 PolarHBondContact O-N 2.86Å; N307-K309 VanDerWaalsContact O-N 3.09Å; N307-K309 WeakPolarHBondContact OD1-CA 3.4Å; N307-K309 WeakPolarHBondContact OD1-CB 3.44Å; N307-K309 PolarHBondContact OD1-N 2.83Å; K309-T311 PolarHBondContact O-N 2.92Å
310Q93.9Very high92.3Very high85 Ų8566.7 Ų66.740%0.39737%0.373SS..SBendtrans58.635.7-178.8-61.9172.2-43.900113.1V267 G293 C294 N307V267-Q310 HydrophobicContact CG2-CB 4Å; G293-Q310 WeakPolarHBondContact CA-O 3.42Å; C294-Q310 PolarHBondContact N-O 3.22Å; C294-Q310 VanDerWaalsContact N-O 3.11Å; C294-Q310 VanDerWaalsContact O-CB 3.22Å; C294-Q310 WeakPolarHBondContact O-CB 3.29Å; C294-Q310 WeakPolarHBondContact O-CG 3.19Å; N307-Q310 WeakPolarHBondContact O-CA 2.93Å; N307-Q310 PolarHBondContact O-N 3.37Å; N307-Q310 PolarHBondContact OD1-N 2.88Å
311T93.4Very high92.2Very high58 Ų5876.8 Ų76.836%0.35641%0.411SS..  trans-119.7142.1175.854.20000110.1N307 K309 Q313N307-T311 VanDerWaalsContact CG-O 3.22Å; N307-T311 PolarHBondContact N-O 3.19Å; N307-T311 PolarHBondContact ND2-OG1 3.5Å; N307-T311 PolarHBondContact OD1-N 2.83Å; N307-T311 PolarHBondContact OD1-O 2.71Å; N307-T311 PolarHBondContact OD1-OG1 3.09Å; K309-T311 PolarHBondContact O-N 2.92Å; T311-Q313 PolarHBondContact O-N 3.09Å
312C94.4Very high92.3Very high57 Ų5771.1 Ų71.139%0.38539%0.385SS..EExtended strand (participates in β ladder)trans-76.3111.4174.4-60.90000109.5C300 L305C300-C312 WeakPolarHBondContact CA-SG 3.31Å; C300-C312 HydrophobicContact CB-CB 3.73Å; C300-C312 WeakPolarHBondContact CB-SG 3.33Å; C300-C312 WeakPolarHBondContact SG-CA 3.09Å; C300-C312 WeakPolarHBondContact SG-CB 2.93Å; C300-C312 CovalentContact SG-SG 2.04Å; C300-C312 PolarHBondContact SG-SG 2.94Å; L305-C312 WeakPolarHBondContact O-CA 3.35Å
313Q95Very high92.2Very high76 Ų7676 Ų7636%0.35540%0.397SS..EExtended strand (participates in β ladder)trans-106.7146.9179.1-179.8176.5-15.400110.1T304 L305 N307 T311 A315 F342 V343T304-Q313 CarbonylContact C-O 3.52Å; T304-Q313 WeakPolarHBondContact CA-O 3.5Å; T304-Q313 VanDerWaalsContact CB-O 3.29Å; T304-Q313 WeakPolarHBondContact CB-O 3.46Å; L305-Q313 PolarHBondContact N-O 3.24Å; L305-Q313 PolarHBondContact O-N 3.45Å; N307-Q313 PolarHBondContact ND2-OE1 3.23Å; T311-Q313 PolarHBondContact O-N 3.09Å; Q313-A315 PolarHBondContact O-N 2.96Å; Q313-F342 HydrophobicContact CB-CD1 3.97Å; Q313-F342 HydrophobicContact CB-CE1 4.08Å; Q313-F342 HydrophobicContact CG-CD1 4.06Å; Q313-V343 PolarHBondContact NE2-O 3.35Å
314Q95.4Very high92.1Very high107 Ų10777.6 Ų77.650%0.540%0.403SS..EExtended strand (participates in β ladder)trans-52.3133175.2-171.36456.100111.1A303 V343A303-Q314 PolarHBondContact O-NE2 3Å; Q314-V343 HydrophobicContact CB-CB 4.48Å; Q314-V343 HydrophobicContact CG-CB 4.22Å; Q314-V343 HydrophobicContact CG-CG2 4.19Å; Q314-V343 PolarHBondContact O-N 3.19Å
315A95.1Very high91.9Very high2 Ų279.8 Ų79.82%0.01741%0.414CS..EExtended strand (participates in β ladder)trans-130.8159.3176.100000110A303 L305 Q313 W340 T341A303-A315 PolarHBondContact O-N 2.93Å; A303-A315 VanDerWaalsContact O-O 3.05Å; L305-A315 HydrophobicContact CB-CB 4.13Å; L305-A315 HydrophobicContact CD1-CB 3.73Å; L305-A315 HydrophobicContact CG-CB 3.54Å; Q313-A315 PolarHBondContact O-N 2.96Å; A315-W340 HydrophobicContact CB-CB 4.38Å; A315-W340 HydrophobicContact CB-CE3 4.08Å; A315-T341 CarbonylContact C-O 3.48Å; A315-T341 WeakPolarHBondContact CA-O 3.4Å; A315-T341 WeakPolarHBondContact CB-O 3.44Å
316K94Very high91.6Very high120 Ų12085.6 Ų85.652%0.52245%0.449SS..EExtended strand (participates in β ladder)trans-122.7138.9172.164.9-178.3178.4-174.80109.6W340 T341 V343K316-W340 WeakPolarHBondContact O-CA 3.42Å; K316-T341 HydrophobicContact CD-CG2 4.31Å; K316-T341 HydrophobicContact CG-CG2 3.64Å; K316-T341 PolarHBondContact N-O 3.28Å; K316-T341 PolarHBondContact O-N 3.19Å; K316-V343 HydrophobicContact CB-CG2 3.83Å; K316-V343 HydrophobicContact CD-CG2 4.14Å; K316-V343 HydrophobicContact CG-CG2 3.89Å
317R93.5Very high91.5Very high135 Ų13589.6 Ų89.651%0.50947%0.47SS..EExtended strand (participates in β ladder)trans-71.9131.2168.7-175.6179.7164.1-168.7-7.8108.5F338 C339 W340R317-F338 HydrophobicContact CG-CB 4.32Å; R317-F338 VanDerWaalsContact CZ-CE1 3.47Å; R317-C339 WeakPolarHBondContact CA-O 3.07Å; R317-W340 HydrophobicContact CB-CD2 4.18Å; R317-W340 HydrophobicContact CB-CE3 4.13Å; R317-W340 HydrophobicContact CB-CH2 4.36Å; R317-W340 HydrophobicContact CB-CZ2 4.42Å; R317-W340 HydrophobicContact CB-CZ3 4.2Å
318F90.1Very high91.3Very high113 Ų11389 Ų8950%0.49647%0.467SS..EExtended strand (participates in β ladder)trans-131.2-20.2178.578.8-81.1000113.4A332 C339 T341F318-A332 HydrophobicContact CE1-CB 3.63Å; F318-A332 HydrophobicContact CZ-CB 3.76Å; F318-C339 HydrophobicContact CE1-CB 4.02Å; F318-C339 HydrophobicContact CZ-CB 4.26Å; F318-C339 PolarHBondContact N-O 3.01Å; F318-C339 VanDerWaalsContact N-O 3.11Å; F318-T341 HydrophobicContact CB-CG2 4.48Å; F318-T341 HydrophobicContact CD1-CG2 3.73Å; F318-T341 HydrophobicContact CE1-CG2 4.34Å; F318-T341 HydrophobicContact CG-CG2 4.29Å
319G79.4Confident91.1Very high22 Ų2285.8 Ų85.823%0.22745%0.446CS..EExtended strand (participates in β ladder)trans-118.6-177.9-172.900000115C339G319-C339 PolarHBondContact N-O 3.29Å
320G83.7Confident90.8Very high48 Ų4885.5 Ų85.550%0.49545%0.452SS..EExtended strand (participates in β ladder)trans-74.5-162.1178.200000113.9C339G320-C339 PolarHBondContact O-N 2.86Å
321R90.3Very high90.2Very high216 Ų21687.5 Ų87.582%0.81547%0.466SS*.EExtended strand (participates in β ladder)trans-69146.6175.5-70.1-177.9-178.1-111.84.2110.8G337 F338R321-G337 CarbonylContact C-O 3.58Å; R321-G337 WeakPolarHBondContact CA-O 3.5Å; R321-F338 HydrophobicContact CG-CD1 4.28Å; R321-F338 HydrophobicContact CG-CE1 3.85Å
322C93.1Very high90.1Very high9 Ų985.6 Ų85.66%0.06146%0.456CS..  trans-139.2160.1175.756.60000110.3N327 C334 G337 F338C322-N327 HydrophobicContact CB-CB 3.81Å; C322-C334 HydrophobicContact CB-CB 3.76Å; C322-C334 WeakPolarHBondContact CB-SG 3.19Å; C322-C334 PolarHBondContact O-SG 3.16Å; C322-C334 VanDerWaalsContact O-SG 3.4Å; C322-C334 WeakPolarHBondContact SG-CA 3.46Å; C322-C334 WeakPolarHBondContact SG-CB 3.29Å; C322-C334 CovalentContact SG-SG 2.02Å; C322-C334 PolarHBondContact SG-SG 3.37Å; C322-G337 PolarHBondContact N-O 3.12Å; C322-G337 WeakPolarHBondContact O-CA 3.47Å; C322-F338 VanDerWaalsContact SG-CA 3.53Å; C322-F338 PolarHBondContact SG-N 2.88Å; C322-F338 PolarHBondContact SG-O 3.32Å
323L90.5Very high90Very high161 Ų16183 Ų8384%0.84344%0.439SS*.SBendtrans-109.6-35.6170-61.9176.2000110.7N327L323-N327 PolarHBondContact N-OD1 2.02Å
324T90.9Very high89.9Confident73 Ų7380.2 Ų80.245%0.44843%0.427SS..SBendtrans-137.5160.7-178.855.30000110.4T326 N327 C334T324-T326 PolarHBondContact O-N 2.8Å; T324-T326 VanDerWaalsContact O-N 3.12Å; T324-T326 PolarHBondContact OG1-OG1 3.28Å; T324-N327 PolarHBondContact N-OD1 2.84Å; T324-N327 WeakPolarHBondContact O-CB 3.4Å; T324-N327 PolarHBondContact O-N 3.21Å; T324-N327 PolarHBondContact O-OD1 2.82Å; T324-N327 PolarHBondContact OG1-OD1 3.24Å; T324-C334 VanDerWaalsContact C-CB 3.43Å
325D90.3Very high89.9Confident72 Ų7275.3 Ų75.339%0.38540%0.404SS..G310 helixtrans-55.8-31.8179.6-61.7-23.7000112.8H297 N327 C328 A333 C334H297-D325 IonicContact CD2-OD1 3.94Å; H297-D325 IonicContact CD2-OD2 3.98Å; H297-D325 IonicContact NE2-OD2 3.91Å; D325-N327 PolarHBondContact O-N 3.25Å; D325-N327 VanDerWaalsContact O-N 3.17Å; D325-C328 WeakPolarHBondContact O-CB 3.22Å; D325-C328 PolarHBondContact O-N 2.97Å; D325-A333 WeakPolarHBondContact OD1-CA 2.92Å; D325-C334 PolarHBondContact OD1-N 2.71Å
326T89.4Confident89.6Confident122 Ų12281.4 Ų81.475%0.74844%0.436SS*.G310 helixtrans-60.4-24.4177.854.30000113.8T324 C328T324-T326 PolarHBondContact O-N 2.8Å; T324-T326 VanDerWaalsContact O-N 3.12Å; T324-T326 PolarHBondContact OG1-OG1 3.28Å; T326-C328 PolarHBondContact O-N 3.11Å
327N91.9Very high89.6Confident93 Ų9377.1 Ų77.150%0.49743%0.426SS..G310 helixtrans-72.3-17.4175.2-57.2131.6000112.9C322 L323 T324 D325C322-N327 HydrophobicContact CB-CB 3.81Å; L323-N327 PolarHBondContact N-OD1 2.02Å; T324-N327 PolarHBondContact N-OD1 2.84Å; T324-N327 WeakPolarHBondContact O-CB 3.4Å; T324-N327 PolarHBondContact O-N 3.21Å; T324-N327 PolarHBondContact O-OD1 2.82Å; T324-N327 PolarHBondContact OG1-OD1 3.24Å; D325-N327 PolarHBondContact O-N 3.25Å; D325-N327 VanDerWaalsContact O-N 3.17Å
328C90.7Very high89.6Confident14 Ų1473.2 Ų73.210%0.09541%0.413CS..G310 helixtrans-97.9-6.5-171.5-58.70000114D325 T326 A332 C339D325-C328 WeakPolarHBondContact O-CB 3.22Å; D325-C328 PolarHBondContact O-N 2.97Å; T326-C328 PolarHBondContact O-N 3.11Å; C328-A332 HydrophobicContact CB-CB 3.67Å; C328-A332 WeakPolarHBondContact O-CB 3.47Å; C328-C339 WeakPolarHBondContact CA-SG 3.27Å; C328-C339 HydrophobicContact CB-CB 3.62Å; C328-C339 WeakPolarHBondContact CB-SG 3.01Å; C328-C339 WeakPolarHBondContact SG-CA 3.23Å; C328-C339 WeakPolarHBondContact SG-CB 3.49Å; C328-C339 CovalentContact SG-SG 2.04Å; C328-C339 PolarHBondContact SG-SG 2.81Å
329G86.6Confident89.8Confident43 Ų4368.1 Ų68.144%0.44339%0.391SS..  trans79.1-168.6-177.900000113.5
330N84.3Confident90.6Very high169 Ų16968.7 Ų68.790%0.90439%0.386SS*.THydrogen-bonded Turntrans-71.8140.5-173-70.7-19.7000112.3A332N330-A332 PolarHBondContact O-N 3.32Å
331N83Confident91.1Very high128 Ų12867.8 Ų67.868%0.68437%0.371SS*.THydrogen-bonded Turntrans59.924.3178.5-154.146.7000114.3
332A90.2Very high91.2Very high17 Ų1759.8 Ų59.814%0.1434%0.342CS..EExtended strand (participates in β ladder)trans-127.4158.717700000110.2F318 C328 N330 W340F318-A332 HydrophobicContact CE1-CB 3.63Å; F318-A332 HydrophobicContact CZ-CB 3.76Å; C328-A332 HydrophobicContact CB-CB 3.67Å; C328-A332 WeakPolarHBondContact O-CB 3.47Å; N330-A332 PolarHBondContact O-N 3.32Å; A332-W340 CarbonylContact C-O 3.5Å; A332-W340 WeakPolarHBondContact CA-O 3.04Å; A332-W340 WeakPolarHBondContact CB-O 3.17Å
333A92.6Very high91.1Very high3 Ų365.2 Ų65.23%0.02538%0.375CS..EExtended strand (participates in β ladder)trans-136.5150.6-177.100000111.4H297 L305 D325 C339 W340H297-A333 VanDerWaalsContact CD2-CB 3.42Å; H297-A333 WeakPolarHBondContact CD2-CB 3.33Å; H297-A333 VanDerWaalsContact NE2-CB 3.3Å; H297-A333 WeakPolarHBondContact NE2-CB 2.94Å; L305-A333 HydrophobicContact CD1-CB 3.96Å; L305-A333 HydrophobicContact CD2-CB 3.91Å; D325-A333 WeakPolarHBondContact OD1-CA 2.92Å; A333-C339 WeakPolarHBondContact O-CA 3.44Å; A333-W340 PolarHBondContact N-O 2.97Å; A333-W340 PolarHBondContact O-N 2.78Å
334C93.6Very high91.1Very high17 Ų1760.4 Ų60.412%0.11535%0.352CS..EExtended strand (participates in β ladder)trans-89.9119.3170.5-1690000109.4C322 T324 D325 F338C322-C334 HydrophobicContact CB-CB 3.76Å; C322-C334 WeakPolarHBondContact CB-SG 3.19Å; C322-C334 PolarHBondContact O-SG 3.16Å; C322-C334 VanDerWaalsContact O-SG 3.4Å; C322-C334 WeakPolarHBondContact SG-CA 3.46Å; C322-C334 WeakPolarHBondContact SG-CB 3.29Å; C322-C334 CovalentContact SG-SG 2.02Å; C322-C334 PolarHBondContact SG-SG 3.37Å; T324-C334 VanDerWaalsContact C-CB 3.43Å; D325-C334 PolarHBondContact OD1-N 2.71Å; C334-F338 WeakPolarHBondContact CA-O 3.47Å
335K93.9Very high91.1Very high4 Ų459.7 Ų59.72%0.01735%0.347CS..EExtended strand (participates in β ladder)trans-138.5130.8175.4-177.6-173.1176.8-169.30109.1H297 C300 G302 T304 L305 G337 F338 W340H297-K335 HydrophobicContact CB-CB 4.3Å; H297-K335 HydrophobicContact CB-CD 4.39Å; H297-K335 HydrophobicContact CB-CG 4.38Å; H297-K335 WeakPolarHBondContact O-CD 3.47Å; H297-K335 WeakPolarHBondContact O-CE 2.93Å; C300-K335 VanDerWaalsContact O-CE 3.25Å; C300-K335 WeakPolarHBondContact O-CE 3.07Å; C300-K335 PolarHBondContact O-NZ 2.05Å; G302-K335 PolarHBondContact O-NZ 3.1Å; T304-K335 WeakPolarHBondContact O-CD 3.38Å; T304-K335 PolarHBondContact O-NZ 3.41Å; L305-K335 HydrophobicContact CD2-CB 3.97Å; L305-K335 HydrophobicContact CD2-CD 3.97Å; K335-G337 PolarHBondContact O-N 3.49Å; K335-F338 PolarHBondContact N-O 3.45Å; K335-F338 PolarHBondContact O-N 3.38Å; K335-F338 VanDerWaalsContact O-N 3.12Å; K335-W340 HydrophobicContact CB-CG 4.46Å; K335-W340 PolarHBondContact O-NE1 3.19Å
336L90.7Very high91.2Very high130 Ų13059.1 Ų59.168%0.68134%0.344SS*.THydrogen-bonded Turntrans52.134.5-174.5-59172000112.9F338L336-F338 VanDerWaalsContact C-N 3.33Å; L336-F338 VanDerWaalsContact O-CD2 3.24Å; L336-F338 WeakPolarHBondContact O-CD2 3.08Å; L336-F338 PolarHBondContact O-N 2.03Å
337G92.1Very high91.3Very high31 Ų3155.4 Ų55.432%0.3232%0.321SS..THydrogen-bonded Turntrans74.214.6178.800000115.5R321 C322 K335R321-G337 CarbonylContact C-O 3.58Å; R321-G337 WeakPolarHBondContact CA-O 3.5Å; C322-G337 PolarHBondContact N-O 3.12Å; C322-G337 WeakPolarHBondContact O-CA 3.47Å; K335-G337 PolarHBondContact O-N 3.49Å
338F93.7Very high91.2Very high52 Ų5253 Ų5323%0.22831%0.31CS..EExtended strand (participates in β ladder)trans-128.5154.9174.8-62.5-75.1000112.3R317 R321 C322 C334 K335 L336 W340R317-F338 HydrophobicContact CG-CB 4.32Å; R317-F338 VanDerWaalsContact CZ-CE1 3.47Å; R321-F338 HydrophobicContact CG-CD1 4.28Å; R321-F338 HydrophobicContact CG-CE1 3.85Å; C322-F338 VanDerWaalsContact SG-CA 3.53Å; C322-F338 PolarHBondContact SG-N 2.88Å; C322-F338 PolarHBondContact SG-O 3.32Å; C334-F338 WeakPolarHBondContact CA-O 3.47Å; K335-F338 PolarHBondContact N-O 3.45Å; K335-F338 PolarHBondContact O-N 3.38Å; K335-F338 VanDerWaalsContact O-N 3.12Å; L336-F338 VanDerWaalsContact C-N 3.33Å; L336-F338 VanDerWaalsContact O-CD2 3.24Å; L336-F338 WeakPolarHBondContact O-CD2 3.08Å; L336-F338 PolarHBondContact O-N 2.03Å; F338-W340 PolarHBondContact O-NE1 3.39Å
339C95.2Very high91.3Very high6 Ų655.6 Ų55.64%0.04132%0.324CS..EExtended strand (participates in β ladder)trans-84.2127.3177.9-67.10000113.2R317 F318 G319 G320 C328 A333R317-C339 WeakPolarHBondContact CA-O 3.07Å; F318-C339 HydrophobicContact CE1-CB 4.02Å; F318-C339 HydrophobicContact CZ-CB 4.26Å; F318-C339 PolarHBondContact N-O 3.01Å; F318-C339 VanDerWaalsContact N-O 3.11Å; G319-C339 PolarHBondContact N-O 3.29Å; G320-C339 PolarHBondContact O-N 2.86Å; C328-C339 WeakPolarHBondContact CA-SG 3.27Å; C328-C339 HydrophobicContact CB-CB 3.62Å; C328-C339 WeakPolarHBondContact CB-SG 3.01Å; C328-C339 WeakPolarHBondContact SG-CA 3.23Å; C328-C339 WeakPolarHBondContact SG-CB 3.49Å; C328-C339 CovalentContact SG-SG 2.04Å; C328-C339 PolarHBondContact SG-SG 2.81Å; A333-C339 WeakPolarHBondContact O-CA 3.44Å
340W95.4Very high91.6Very high34 Ų3456.5 Ų56.513%0.12932%0.316CS..EExtended strand (participates in β ladder)trans-121.5150.9-179.7-6180.9000110.7A303 L305 A315 K316 R317 A332 A333 K335 F338A303-W340 HydrophobicContact CB-CH2 4.13Å; A303-W340 HydrophobicContact CB-CZ3 3.65Å; L305-W340 HydrophobicContact CD1-CB 3.72Å; L305-W340 HydrophobicContact CD2-CB 4Å; L305-W340 HydrophobicContact CD2-CG 4.41Å; L305-W340 HydrophobicContact CG-CB 4.05Å; A315-W340 HydrophobicContact CB-CB 4.38Å; A315-W340 HydrophobicContact CB-CE3 4.08Å; K316-W340 WeakPolarHBondContact O-CA 3.42Å; R317-W340 HydrophobicContact CB-CD2 4.18Å; R317-W340 HydrophobicContact CB-CE3 4.13Å; R317-W340 HydrophobicContact CB-CH2 4.36Å; R317-W340 HydrophobicContact CB-CZ2 4.42Å; R317-W340 HydrophobicContact CB-CZ3 4.2Å; A332-W340 CarbonylContact C-O 3.5Å; A332-W340 WeakPolarHBondContact CA-O 3.04Å; A332-W340 WeakPolarHBondContact CB-O 3.17Å; A333-W340 PolarHBondContact N-O 2.97Å; A333-W340 PolarHBondContact O-N 2.78Å; K335-W340 HydrophobicContact CB-CG 4.46Å; K335-W340 PolarHBondContact O-NE1 3.19Å; F338-W340 PolarHBondContact O-NE1 3.39Å
341T94.1Very high92.1Very high29 Ų2947.8 Ų47.818%0.17827%0.27CS..EExtended strand (participates in β ladder)trans-129.7149.31701800000109.1A315 K316 F318A315-T341 CarbonylContact C-O 3.48Å; A315-T341 WeakPolarHBondContact CA-O 3.4Å; A315-T341 WeakPolarHBondContact CB-O 3.44Å; K316-T341 HydrophobicContact CD-CG2 4.31Å; K316-T341 HydrophobicContact CG-CG2 3.64Å; K316-T341 PolarHBondContact N-O 3.28Å; K316-T341 PolarHBondContact O-N 3.19Å; F318-T341 HydrophobicContact CB-CG2 4.48Å; F318-T341 HydrophobicContact CD1-CG2 3.73Å; F318-T341 HydrophobicContact CE1-CG2 4.34Å; F318-T341 HydrophobicContact CG-CG2 4.29Å
342F92.9Very high92.9Very high48 Ų4841.2 Ų41.221%0.21124%0.236CC..EExtended strand (participates in β ladder)trans-58.7148.6170.8-64.2-74.6000111.2L305 N307 Q313L305-F342 HydrophobicContact CB-CD1 4.14Å; L305-F342 HydrophobicContact CB-CE1 3.46Å; L305-F342 VanDerWaalsContact CB-CE1 3.46Å; L305-F342 HydrophobicContact CB-CZ 3.8Å; L305-F342 HydrophobicContact CD1-CD1 4.48Å; L305-F342 HydrophobicContact CD1-CE1 4.31Å; L305-F342 HydrophobicContact CD1-CE2 4.46Å; L305-F342 HydrophobicContact CD1-CZ 4.28Å; N307-F342 HydrophobicContact CB-CE1 3.88Å; N307-F342 HydrophobicContact CB-CZ 3.91Å; Q313-F342 HydrophobicContact CB-CD1 3.97Å; Q313-F342 HydrophobicContact CB-CE1 4.08Å; Q313-F342 HydrophobicContact CG-CD1 4.06Å
343V90.6Very high93.2Very high123 Ų12343.4 Ų43.475%0.74524%0.244SC*.  trans-98.90171.2-1780000109.6Q313 Q314 K316Q313-V343 PolarHBondContact NE2-O 3.35Å; Q314-V343 HydrophobicContact CB-CB 4.48Å; Q314-V343 HydrophobicContact CG-CB 4.22Å; Q314-V343 HydrophobicContact CG-CG2 4.19Å; Q314-V343 PolarHBondContact O-N 3.19Å; K316-V343 HydrophobicContact CB-CG2 3.83Å; K316-V343 HydrophobicContact CD-CG2 4.14Å; K316-V343 HydrophobicContact CG-CG2 3.89Å

Retrieved 343 of 343 residues in 494.6 ms (Link to these results)