A0A3Q0KFF6_SCHMA Loading...

Putative ubiquitin (Ribosomal protein L40)

AlphaFold DB , UniProt , Accession A0A3Q0KFF6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 609 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
1M92.3Very high90.7Very high58 Ų5865.4 Ų65.429%0.28636%0.355SS..  0138.5074.6174175.600107.7I3 E16 V17 P19 L56 I61 K63M1-I3 HydrophobicContact CE-CG2 4.45Å; M1-E16 PolarHBondContact N-OE2 3.2Å; M1-V17 HydrophobicContact CE-CG2 4.09Å; M1-V17 HydrophobicContact CG-CG2 3.91Å; M1-V17 VanDerWaalsContact CG-O 3.32Å; M1-V17 WeakPolarHBondContact CG-O 3.42Å; M1-V17 PolarHBondContact N-O 3.48Å; M1-V17 WeakPolarHBondContact O-CG2 3.08Å; M1-V17 PolarHBondContact O-N 3.17Å; M1-V17 VanDerWaalsContact O-O 3.12Å; M1-P19 HydrophobicContact CE-CB 4.4Å; M1-P19 HydrophobicContact CE-CG 4.08Å; M1-P19 HydrophobicContact SD-CG 4.02Å; M1-L56 HydrophobicContact CE-CB 4.41Å; M1-L56 HydrophobicContact CE-CD1 4.14Å; M1-I61 VanDerWaalsContact CE-O 3.32Å; M1-I61 WeakPolarHBondContact CE-O 2.99Å; M1-K63 HydrophobicContact CB-CB 4.37Å; M1-K63 HydrophobicContact CB-CG 4.38Å
2Q95.1Very high90.9Very high66 Ų6665.3 Ų65.331%0.30836%0.358SS..EExtended strand (participates in β ladder)trans-81.1137-179-171.7165.585.800110.9F4 T14 L15 E16 K63 E64Q2-F4 HydrophobicContact CG-CZ 4.38Å; Q2-T14 VanDerWaalsContact CD-CG2 3.47Å; Q2-T14 HydrophobicContact CG-CG2 3.55Å; Q2-L15 CarbonylContact C-O 3.6Å; Q2-L15 WeakPolarHBondContact CA-O 3.37Å; Q2-E16 WeakPolarHBondContact CB-OE1 3.41Å; Q2-E16 PolarHBondContact N-OE2 3.44Å; Q2-E16 PolarHBondContact NE2-OE1 3.36Å; Q2-K63 CarbonylContact O-C 3.51Å; Q2-K63 WeakPolarHBondContact O-CA 3.41Å; Q2-E64 PolarHBondContact O-N 3.03Å
3I96.9Very high91Very high0 Ų060.6 Ų60.60%033%0.333CS..EExtended strand (participates in β ladder)trans-132.4165.7167.364.9167.2000110.3M1 L15 V17 V26 L56 I61 L67M1-I3 HydrophobicContact CE-CG2 4.45Å; I3-L15 HydrophobicContact CG1-CB 3.99Å; I3-L15 PolarHBondContact N-O 3.23Å; I3-L15 PolarHBondContact O-N 3.4Å; I3-V17 HydrophobicContact CB-CG2 4.33Å; I3-V17 HydrophobicContact CD1-CG1 3.94Å; I3-V17 HydrophobicContact CD1-CG2 3.82Å; I3-V17 HydrophobicContact CG1-CG1 4.13Å; I3-V17 HydrophobicContact CG1-CG2 3.74Å; I3-V17 HydrophobicContact CG2-CG2 3.74Å; I3-V26 HydrophobicContact CD1-CG1 4.36Å; I3-L56 HydrophobicContact CD1-CD1 4.42Å; I3-I61 HydrophobicContact CG2-CG2 4.08Å; I3-L67 HydrophobicContact CD1-CD1 3.95Å; I3-L67 HydrophobicContact CD1-CD2 4.4Å
4F97Very high91.4Very high47 Ų4760.1 Ų60.121%0.20633%0.332CS..EExtended strand (participates in β ladder)trans-117.2145.7177.3-57.1-72.6000111.1Q2 T12 I13 T14 E64 S65 T66 L67Q2-F4 HydrophobicContact CG-CZ 4.38Å; F4-T12 HydrophobicContact CB-CG2 3.9Å; F4-T12 HydrophobicContact CD1-CG2 3.93Å; F4-T12 HydrophobicContact CG-CG2 4.24Å; F4-I13 CarbonylContact C-O 3.58Å; F4-I13 WeakPolarHBondContact CA-O 2.99Å; F4-T14 HydrophobicContact CD1-CG2 4.22Å; F4-T14 HydrophobicContact CE1-CG2 3.91Å; F4-E64 HydrophobicContact CE2-CB 4.11Å; F4-E64 HydrophobicContact CE2-CG 4.12Å; F4-S65 PolarHBondContact N-O 2.97Å; F4-T66 HydrophobicContact CB-CG2 4.31Å; F4-T66 CarbonylContact O-C 3.57Å; F4-T66 VanDerWaalsContact O-CA 3.3Å; F4-T66 WeakPolarHBondContact O-CA 3.45Å; F4-L67 PolarHBondContact O-N 3.02Å
5V96.6Very high91.7Very high0 Ų056.2 Ų56.20%031%0.311CS..EExtended strand (participates in β ladder)trans-125.7117.5173.8-176.40000108.3T12 I13 L15 I30 L43 L67 L69V5-T12 CarbonylContact O-C 3.51Å; V5-T12 WeakPolarHBondContact O-CA 3.25Å; V5-I13 HydrophobicContact CB-CB 4.24Å; V5-I13 HydrophobicContact CB-CD1 4.43Å; V5-I13 HydrophobicContact CG1-CD1 4.42Å; V5-I13 PolarHBondContact N-O 2.79Å; V5-I13 PolarHBondContact O-N 3.36Å; V5-L15 HydrophobicContact CG2-CD1 3.64Å; V5-L15 HydrophobicContact CG2-CG 4.36Å; V5-I30 HydrophobicContact CG1-CD1 4.12Å; V5-I30 HydrophobicContact CG2-CD1 4.11Å; V5-L43 HydrophobicContact CG1-CD2 4.02Å; V5-L67 CarbonylContact C-O 3.58Å; V5-L67 WeakPolarHBondContact CA-O 3.08Å; V5-L67 HydrophobicContact CG2-CB 4.33Å; V5-L69 HydrophobicContact CG1-CB 3.57Å; V5-L69 HydrophobicContact CG1-CD2 4.49Å
6K94.8Very high92Very high92 Ų9259.3 Ų59.340%0.432%0.322SS..EExtended strand (participates in β ladder)trans-97.8129.9178.2-77.8-172.2178.9-177.10111.5K11 T12 T66 L67 H68 L69K6-K11 CarbonylContact C-O 3.49Å; K6-K11 WeakPolarHBondContact CA-O 3.43Å; K6-T12 WeakPolarHBondContact CE-OG1 3.37Å; K6-T12 HydrophobicContact CG-CG2 4.26Å; K6-T66 HydrophobicContact CB-CG2 4.25Å; K6-T66 HydrophobicContact CD-CG2 3.89Å; K6-T66 HydrophobicContact CG-CG2 3.77Å; K6-L67 PolarHBondContact N-O 2.75Å; K6-H68 CarbonylContact O-C 3.57Å; K6-H68 WeakPolarHBondContact O-CA 3.42Å; K6-L69 PolarHBondContact O-N 3.45Å
7T89.4Confident92.2Very high27 Ų2756 Ų5617%0.16630%0.304CS..EExtended strand (participates in β ladder)trans-81.516417068.90000110.5T9 G10 K11 I13T7-T9 PolarHBondContact O-N 2.8Å; T7-T9 PolarHBondContact OG1-N 2.74Å; T7-T9 PolarHBondContact OG1-OG1 3.42Å; T7-G10 PolarHBondContact O-N 3.22Å; T7-K11 HydrophobicContact CG2-CB 4.27Å; T7-K11 PolarHBondContact N-O 2.65Å; T7-K11 WeakPolarHBondContact OG1-CB 3.38Å; T7-K11 PolarHBondContact OG1-N 2.84Å; T7-K11 VanDerWaalsContact OG1-N 3.17Å; T7-K11 PolarHBondContact OG1-O 2.7Å; T7-I13 HydrophobicContact CG2-CD1 4.1Å
8L81.9Confident92.4Very high143 Ų14359.6 Ų59.675%0.74932%0.319SS*.THydrogen-bonded Turntrans-62.8-21.3173-67.1175.7000113.6G10 V70L8-G10 PolarHBondContact O-N 3.3Å; L8-V70 HydrophobicContact CD1-CG1 4.23Å; L8-V70 HydrophobicContact CD1-CG2 4.35Å; L8-V70 HydrophobicContact CD2-CG2 4.27Å; L8-V70 HydrophobicContact CG-CG2 4.36Å
9T81.3Confident92.4Very high129 Ų12960.1 Ų60.179%0.79133%0.325SS*.THydrogen-bonded Turntrans-80.7-2.9174.957.60000113.1T7T7-T9 PolarHBondContact O-N 2.8Å; T7-T9 PolarHBondContact OG1-N 2.74Å; T7-T9 PolarHBondContact OG1-OG1 3.42Å
10G82.3Confident92.6Very high53 Ų5360.8 Ų60.855%0.54634%0.335SS..SBendtrans87.9-1.6-179.100000114.7T7 L8T7-G10 PolarHBondContact O-N 3.22Å; L8-G10 PolarHBondContact O-N 3.3Å
11K90.4Very high92.8Very high104 Ų10458.7 Ų58.745%0.45232%0.323SS..  trans-64.9137.2173.4-173.6-179.5175.1-171.80109.5K6 T7 E34K6-K11 CarbonylContact C-O 3.49Å; K6-K11 WeakPolarHBondContact CA-O 3.43Å; T7-K11 HydrophobicContact CG2-CB 4.27Å; T7-K11 PolarHBondContact N-O 2.65Å; T7-K11 WeakPolarHBondContact OG1-CB 3.38Å; T7-K11 PolarHBondContact OG1-N 2.84Å; T7-K11 VanDerWaalsContact OG1-N 3.17Å; T7-K11 PolarHBondContact OG1-O 2.7Å; K11-E34 WeakPolarHBondContact CE-OE1 3.15Å; K11-E34 IonicContact NZ-OE1 2.91Å; K11-E34 PolarHBondContact NZ-OE1 2.84Å; K11-E34 IonicContact NZ-OE2 2.63Å; K11-E34 PolarHBondContact NZ-OE2 2.73Å
12T92.7Very high93Very high64 Ų6457.5 Ų57.539%0.39332%0.32SS..EExtended strand (participates in β ladder)trans-112.1122.2176.7-55.70000109.8F4 V5 K6F4-T12 HydrophobicContact CB-CG2 3.9Å; F4-T12 HydrophobicContact CD1-CG2 3.93Å; F4-T12 HydrophobicContact CG-CG2 4.24Å; V5-T12 CarbonylContact O-C 3.51Å; V5-T12 WeakPolarHBondContact O-CA 3.25Å; K6-T12 WeakPolarHBondContact CE-OG1 3.37Å; K6-T12 HydrophobicContact CG-CG2 4.26Å
13I92.6Very high93.1Very high5 Ų554.4 Ų54.43%0.02631%0.305CS..EExtended strand (participates in β ladder)trans-101.6131.7177.5-53.9150.3000107.4F4 V5 T7 L15 K33 E34 L69F4-I13 CarbonylContact C-O 3.58Å; F4-I13 WeakPolarHBondContact CA-O 2.99Å; V5-I13 HydrophobicContact CB-CB 4.24Å; V5-I13 HydrophobicContact CB-CD1 4.43Å; V5-I13 HydrophobicContact CG1-CD1 4.42Å; V5-I13 PolarHBondContact N-O 2.79Å; V5-I13 PolarHBondContact O-N 3.36Å; T7-I13 HydrophobicContact CG2-CD1 4.1Å; I13-L15 HydrophobicContact CG2-CD2 4.1Å; I13-L15 HydrophobicContact CG2-CG 4.38Å; I13-K33 HydrophobicContact CG2-CD 4.19Å; I13-E34 HydrophobicContact CD1-CG 3.59Å; I13-E34 HydrophobicContact CG1-CG 3.91Å; I13-E34 HydrophobicContact CG2-CG 4.38Å; I13-L69 HydrophobicContact CD1-CD2 4.45Å
14T96.2Very high92.9Very high54 Ų5459.9 Ų59.933%0.33133%0.33SS..EExtended strand (participates in β ladder)trans-100.9131.3178.5-54.20000109.4Q2 F4 K33Q2-T14 VanDerWaalsContact CD-CG2 3.47Å; Q2-T14 HydrophobicContact CG-CG2 3.55Å; F4-T14 HydrophobicContact CD1-CG2 4.22Å; F4-T14 HydrophobicContact CE1-CG2 3.91Å; T14-K33 PolarHBondContact O-NZ 3.41Å
15L95.6Very high92.8Very high1 Ų161 Ų611%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-127.3143-179.8-59.7175.1000111.1Q2 I3 V5 I13 V17 V26 K29 I30 K33Q2-L15 CarbonylContact C-O 3.6Å; Q2-L15 WeakPolarHBondContact CA-O 3.37Å; I3-L15 HydrophobicContact CG1-CB 3.99Å; I3-L15 PolarHBondContact N-O 3.23Å; I3-L15 PolarHBondContact O-N 3.4Å; V5-L15 HydrophobicContact CG2-CD1 3.64Å; V5-L15 HydrophobicContact CG2-CG 4.36Å; I13-L15 HydrophobicContact CG2-CD2 4.1Å; I13-L15 HydrophobicContact CG2-CG 4.38Å; L15-V17 HydrophobicContact CB-CG1 4.11Å; L15-V26 HydrophobicContact CD1-CG1 3.91Å; L15-K29 HydrophobicContact CD2-CB 4.21Å; L15-I30 HydrophobicContact CD1-CD1 4.19Å; L15-I30 HydrophobicContact CD1-CG1 3.6Å; L15-K33 HydrophobicContact CD2-CD 3.75Å; L15-K33 HydrophobicContact CD2-CG 4.45Å
16E96.1Very high92.8Very high106 Ų10661 Ų6150%0.49534%0.339SS..EExtended strand (participates in β ladder)trans-98120.2166.5-72-58.4146.900109.3M1 Q2 K29M1-E16 PolarHBondContact N-OE2 3.2Å; Q2-E16 WeakPolarHBondContact CB-OE1 3.41Å; Q2-E16 PolarHBondContact N-OE2 3.44Å; Q2-E16 PolarHBondContact NE2-OE1 3.36Å; E16-K29 PolarHBondContact O-NZ 3.34Å
17V95.9Very high92.8Very high3 Ų356.7 Ų56.72%0.01832%0.32CS..  trans-135.5156.8-172.9-62.20000111.5M1 I3 L15 D21 V26 K29 L56M1-V17 HydrophobicContact CE-CG2 4.09Å; M1-V17 HydrophobicContact CG-CG2 3.91Å; M1-V17 VanDerWaalsContact CG-O 3.32Å; M1-V17 WeakPolarHBondContact CG-O 3.42Å; M1-V17 PolarHBondContact N-O 3.48Å; M1-V17 WeakPolarHBondContact O-CG2 3.08Å; M1-V17 PolarHBondContact O-N 3.17Å; M1-V17 VanDerWaalsContact O-O 3.12Å; I3-V17 HydrophobicContact CB-CG2 4.33Å; I3-V17 HydrophobicContact CD1-CG1 3.94Å; I3-V17 HydrophobicContact CD1-CG2 3.82Å; I3-V17 HydrophobicContact CG1-CG1 4.13Å; I3-V17 HydrophobicContact CG1-CG2 3.74Å; I3-V17 HydrophobicContact CG2-CG2 3.74Å; L15-V17 HydrophobicContact CB-CG1 4.11Å; V17-D21 VanDerWaalsContact CA-OD2 3.27Å; V17-D21 WeakPolarHBondContact CA-OD2 3.46Å; V17-D21 WeakPolarHBondContact CB-OD2 3.49Å; V17-V26 HydrophobicContact CG1-CG2 4.11Å; V17-K29 HydrophobicContact CG1-CD 4.15Å; V17-L56 HydrophobicContact CB-CD1 3.55Å; V17-L56 HydrophobicContact CG1-CD1 4.15Å; V17-L56 HydrophobicContact CG2-CD1 3.35Å
18E95.3Very high92.9Very high121 Ų12157.1 Ų57.157%0.56533%0.326SS*.  trans-99.8147.8169.2-64.3-172.3171.500110S20 D21E18-S20 PolarHBondContact O-N 3.04Å; E18-S20 VanDerWaalsContact O-N 3.08Å; E18-D21 PolarHBondContact N-OD2 2.81Å; E18-D21 VanDerWaalsContact O-CB 3.27Å; E18-D21 WeakPolarHBondContact O-CB 3.4Å; E18-D21 PolarHBondContact O-N 3.38Å
19P93.8Very high93.5Very high68 Ų6853.3 Ų53.344%0.44230%0.304SS..THydrogen-bonded Turntrans-54.4-27.7174.8-26.534.8000113.9M1 S57M1-P19 HydrophobicContact CE-CB 4.4Å; M1-P19 HydrophobicContact CE-CG 4.08Å; M1-P19 HydrophobicContact SD-CG 4.02Å; P19-S57 VanDerWaalsContact O-CB 3.29Å; P19-S57 WeakPolarHBondContact O-CB 3.26Å; P19-S57 PolarHBondContact O-N 3.12Å; P19-S57 PolarHBondContact O-OG 3.17Å
20S95.9Very high94.1Very high74 Ų7447.2 Ų47.252%0.51727%0.266SS..THydrogen-bonded Turntrans-80.4-9.2175.242.60000114.6E18 T22 T55E18-S20 PolarHBondContact O-N 3.04Å; E18-S20 VanDerWaalsContact O-N 3.08Å; S20-T22 PolarHBondContact O-N 3.24Å; S20-T55 WeakPolarHBondContact O-CG2 3.43Å
21D96.7Very high94.4Very high17 Ų1747.1 Ų47.19%0.09125%0.252CS..  trans-60.6132.6176.1-81.7-25.8000109.7V17 E18 N25 V26 K29 T55 L56V17-D21 VanDerWaalsContact CA-OD2 3.27Å; V17-D21 WeakPolarHBondContact CA-OD2 3.46Å; V17-D21 WeakPolarHBondContact CB-OD2 3.49Å; E18-D21 PolarHBondContact N-OD2 2.81Å; E18-D21 VanDerWaalsContact O-CB 3.27Å; E18-D21 WeakPolarHBondContact O-CB 3.4Å; E18-D21 PolarHBondContact O-N 3.38Å; D21-N25 HydrophobicContact CB-CB 4.24Å; D21-V26 HydrophobicContact CB-CG2 4.39Å; D21-K29 IonicContact OD2-NZ 3.92Å; D21-K29 PolarHBondContact OD2-NZ 2.88Å; D21-T55 CarbonylContact O-C 3.52Å; D21-T55 VanDerWaalsContact O-CA 3.23Å; D21-T55 WeakPolarHBondContact O-CA 3.31Å; D21-L56 HydrophobicContact CB-CD1 4.27Å; D21-L56 PolarHBondContact O-N 3.39Å
22T97Very high94.2Very high34 Ų3448.5 Ų48.521%0.20926%0.264CS..BIsolated β-bridgetrans-71.4159.1170.363.80000110.6S20 E24 N25 V26 R54 T55S20-T22 PolarHBondContact O-N 3.24Å; T22-E24 PolarHBondContact O-N 3.35Å; T22-N25 WeakPolarHBondContact O-CB 3.39Å; T22-N25 PolarHBondContact O-N 2.75Å; T22-N25 VanDerWaalsContact O-N 3.08Å; T22-N25 PolarHBondContact OG1-N 3.27Å; T22-N25 VanDerWaalsContact OG1-N 3.14Å; T22-N25 PolarHBondContact OG1-OD1 3.06Å; T22-V26 WeakPolarHBondContact O-CG2 3.22Å; T22-V26 PolarHBondContact O-N 2.61Å; T22-V26 VanDerWaalsContact O-N 3.07Å; T22-R54 CarbonylContact C-O 3.49Å; T22-R54 VanDerWaalsContact CA-O 3.26Å; T22-R54 WeakPolarHBondContact CA-O 3.42Å; T22-T55 HydrophobicContact CG2-CG2 4.46Å
23I95.6Very high94Very high0 Ų051.3 Ų51.30%027%0.271CS..Hα-helixtrans-61.8-32.8174.1-61.4-57.2000111V26 K27 L43 L50 E51 D52 R54 L56 Y59I23-V26 PolarHBondContact O-N 2.89Å; I23-K27 WeakPolarHBondContact O-CG 3.49Å; I23-K27 PolarHBondContact O-N 3.45Å; I23-L43 HydrophobicContact CG2-CD1 4.23Å; I23-L50 HydrophobicContact CB-CB 4.46Å; I23-L50 HydrophobicContact CD1-CB 3.84Å; I23-L50 HydrophobicContact CD1-CD1 3.61Å; I23-L50 HydrophobicContact CD1-CG 4.24Å; I23-L50 HydrophobicContact CG1-CB 3.85Å; I23-L50 HydrophobicContact CG2-CB 3.8Å; I23-E51 WeakPolarHBondContact CB-O 3.39Å; I23-E51 VanDerWaalsContact CG1-O 3.29Å; I23-E51 WeakPolarHBondContact CG1-O 3.49Å; I23-D52 PolarHBondContact N-O 3.31Å; I23-R54 WeakPolarHBondContact CG1-O 3.36Å; I23-R54 PolarHBondContact N-O 2.69Å; I23-L56 HydrophobicContact CD1-CD2 3.86Å; I23-Y59 HydrophobicContact CD1-CD2 4.24Å; I23-Y59 HydrophobicContact CD1-CE2 4.33Å; I23-Y59 HydrophobicContact CG1-CD2 4.39Å; I23-Y59 HydrophobicContact CG1-CE2 4.01Å
24E93.9Very high93.8Very high115 Ų11553.9 Ų53.954%0.53728%0.283SS..Hα-helixtrans-58.7-46.5170.1-169.6172.6-161.400112.3T22 V26 K27 A28 D52T22-E24 PolarHBondContact O-N 3.35Å; E24-V26 VanDerWaalsContact C-N 3.28Å; E24-V26 PolarHBondContact O-N 3.15Å; E24-K27 WeakPolarHBondContact O-CB 3.43Å; E24-K27 PolarHBondContact O-N 3.45Å; E24-K27 VanDerWaalsContact O-N 3.13Å; E24-A28 PolarHBondContact O-N 2.87Å; E24-D52 HydrophobicContact CB-CB 4.24Å; E24-D52 PolarHBondContact N-O 2.85Å
25N95.3Very high93.1Very high72 Ų7254 Ų5439%0.38529%0.294SS..Hα-helixtrans-60-39.9175.3-65.9-6.2000111.7D21 T22 K27 A28 K29D21-N25 HydrophobicContact CB-CB 4.24Å; T22-N25 WeakPolarHBondContact O-CB 3.39Å; T22-N25 PolarHBondContact O-N 2.75Å; T22-N25 VanDerWaalsContact O-N 3.08Å; T22-N25 PolarHBondContact OG1-N 3.27Å; T22-N25 VanDerWaalsContact OG1-N 3.14Å; T22-N25 PolarHBondContact OG1-OD1 3.06Å; N25-K27 VanDerWaalsContact C-N 3.34Å; N25-A28 PolarHBondContact O-N 3.32Å; N25-K29 WeakPolarHBondContact O-CG 3.44Å; N25-K29 PolarHBondContact O-N 3.2Å
26V95.8Very high92.5Very high0 Ų055.2 Ų55.20%030%0.301CS..Hα-helixtrans-65.5-40.1177.3179.30000111.1I3 L15 V17 D21 T22 I23 E24 K29 I30 L43 L56I3-V26 HydrophobicContact CD1-CG1 4.36Å; L15-V26 HydrophobicContact CD1-CG1 3.91Å; V17-V26 HydrophobicContact CG1-CG2 4.11Å; D21-V26 HydrophobicContact CB-CG2 4.39Å; T22-V26 WeakPolarHBondContact O-CG2 3.22Å; T22-V26 PolarHBondContact O-N 2.61Å; T22-V26 VanDerWaalsContact O-N 3.07Å; I23-V26 PolarHBondContact O-N 2.89Å; E24-V26 VanDerWaalsContact C-N 3.28Å; E24-V26 PolarHBondContact O-N 3.15Å; V26-K29 WeakPolarHBondContact O-CB 3.46Å; V26-K29 PolarHBondContact O-N 2.96Å; V26-I30 HydrophobicContact CG1-CD1 4.26Å; V26-I30 WeakPolarHBondContact O-CG1 3.38Å; V26-I30 PolarHBondContact O-N 3.31Å; V26-L43 HydrophobicContact CB-CD1 4.34Å; V26-L43 HydrophobicContact CG1-CD1 3.85Å; V26-L56 HydrophobicContact CG2-CD1 3.91Å; V26-L56 HydrophobicContact CG2-CD2 3.99Å; V26-L56 HydrophobicContact CG2-CG 4.02Å
27K94.5Very high91.9Very high1 Ų150.6 Ų50.60%0.00428%0.28CS..Hα-helixtrans-64.5-42.2175.4-71.6170.2163.7-165.20112.3I23 E24 N25 K29 I30 Q31 P38 Q41 L43 D52I23-K27 WeakPolarHBondContact O-CG 3.49Å; I23-K27 PolarHBondContact O-N 3.45Å; E24-K27 WeakPolarHBondContact O-CB 3.43Å; E24-K27 PolarHBondContact O-N 3.45Å; E24-K27 VanDerWaalsContact O-N 3.13Å; N25-K27 VanDerWaalsContact C-N 3.34Å; K27-K29 VanDerWaalsContact C-N 3.3Å; K27-K29 PolarHBondContact O-N 2.81Å; K27-I30 WeakPolarHBondContact O-CB 3.37Å; K27-I30 PolarHBondContact O-N 2.89Å; K27-I30 VanDerWaalsContact O-N 3.08Å; K27-Q31 PolarHBondContact O-N 3.02Å; K27-P38 HydrophobicContact CB-CB 3.8Å; K27-P38 HydrophobicContact CB-CG 4.29Å; K27-P38 HydrophobicContact CD-CB 4.17Å; K27-P38 WeakPolarHBondContact CD-O 3.45Å; K27-P38 WeakPolarHBondContact CE-O 3.46Å; K27-P38 PolarHBondContact NZ-O 3.41Å; K27-Q41 VanDerWaalsContact CA-OE1 3.22Å; K27-Q41 HydrophobicContact CD-CB 4.35Å; K27-Q41 WeakPolarHBondContact CE-O 3.38Å; K27-Q41 HydrophobicContact CG-CB 4.01Å; K27-Q41 PolarHBondContact NZ-O 2.76Å; K27-Q41 PolarHBondContact O-NE2 2.67Å; K27-Q41 PolarHBondContact O-OE1 2.68Å; K27-L43 HydrophobicContact CG-CD1 3.94Å; K27-L43 HydrophobicContact CG-CG 4.41Å; K27-D52 WeakPolarHBondContact CE-OD1 3.24Å; K27-D52 IonicContact NZ-OD1 3.69Å; K27-D52 PolarHBondContact NZ-OD1 3.03Å; K27-D52 IonicContact NZ-OD2 2.68Å; K27-D52 PolarHBondContact NZ-OD2 2.8Å
28A91.8Very high91.4Very high36 Ų3651.6 Ų51.630%0.29829%0.287SS..Hα-helixtrans-57.8-45.1173.100000110.9E24 N25 I30 Q31 D32E24-A28 PolarHBondContact O-N 2.87Å; N25-A28 PolarHBondContact O-N 3.32Å; A28-I30 VanDerWaalsContact C-N 3.25Å; A28-I30 PolarHBondContact O-N 3.38Å; A28-Q31 WeakPolarHBondContact O-CA 3.47Å; A28-Q31 WeakPolarHBondContact O-CB 3.27Å; A28-Q31 PolarHBondContact O-N 3.4Å; A28-D32 VanDerWaalsContact O-CG 3.31Å; A28-D32 PolarHBondContact O-N 3.17Å
29K95.4Very high90.6Very high63 Ų6348.1 Ų48.127%0.27427%0.272SS..Hα-helixtrans-61-30.5174.8-70.9175.9177.2-176.70113.7L15 E16 V17 D21 N25 V26 K27 K33L15-K29 HydrophobicContact CD2-CB 4.21Å; E16-K29 PolarHBondContact O-NZ 3.34Å; V17-K29 HydrophobicContact CG1-CD 4.15Å; D21-K29 IonicContact OD2-NZ 3.92Å; D21-K29 PolarHBondContact OD2-NZ 2.88Å; N25-K29 WeakPolarHBondContact O-CG 3.44Å; N25-K29 PolarHBondContact O-N 3.2Å; V26-K29 WeakPolarHBondContact O-CB 3.46Å; V26-K29 PolarHBondContact O-N 2.96Å; K27-K29 VanDerWaalsContact C-N 3.3Å; K27-K29 PolarHBondContact O-N 2.81Å; K29-K33 WeakPolarHBondContact O-CG 3.38Å; K29-K33 PolarHBondContact O-N 3.41Å
30I93.2Very high90.1Very high0 Ų046.9 Ų46.90%026%0.26CS..Hα-helixtrans-74.8-40.8173.6-67163.4000110.5V5 L15 V26 K27 A28 D32 K33 E34 Q41 L43 L69V5-I30 HydrophobicContact CG1-CD1 4.12Å; V5-I30 HydrophobicContact CG2-CD1 4.11Å; L15-I30 HydrophobicContact CD1-CD1 4.19Å; L15-I30 HydrophobicContact CD1-CG1 3.6Å; V26-I30 HydrophobicContact CG1-CD1 4.26Å; V26-I30 WeakPolarHBondContact O-CG1 3.38Å; V26-I30 PolarHBondContact O-N 3.31Å; K27-I30 WeakPolarHBondContact O-CB 3.37Å; K27-I30 PolarHBondContact O-N 2.89Å; K27-I30 VanDerWaalsContact O-N 3.08Å; A28-I30 VanDerWaalsContact C-N 3.25Å; A28-I30 PolarHBondContact O-N 3.38Å; I30-D32 VanDerWaalsContact C-N 3.3Å; I30-D32 PolarHBondContact O-N 3.36Å; I30-K33 PolarHBondContact O-N 3.17Å; I30-K33 VanDerWaalsContact O-N 3.17Å; I30-E34 HydrophobicContact CG2-CB 4.4Å; I30-E34 HydrophobicContact CG2-CG 4.47Å; I30-E34 WeakPolarHBondContact O-CB 3.49Å; I30-E34 PolarHBondContact O-N 2.86Å; I30-Q41 VanDerWaalsContact CB-OE1 3.25Å; I30-Q41 VanDerWaalsContact CD1-OE1 3.23Å; I30-Q41 HydrophobicContact CG2-CG 4.48Å; I30-L43 HydrophobicContact CD1-CD1 3.96Å; I30-L43 HydrophobicContact CD1-CD2 3.69Å; I30-L43 HydrophobicContact CD1-CG 4.35Å; I30-L69 HydrophobicContact CG2-CD2 4Å
31Q89.3Confident89.8Confident52 Ų5243.3 Ų43.324%0.24324%0.235CC..Hα-helixtrans-58-45.9174.3-176.8-17819.400110.4K27 A28 K33 E34 G35 I36 P38K27-Q31 PolarHBondContact O-N 3.02Å; A28-Q31 WeakPolarHBondContact O-CA 3.47Å; A28-Q31 WeakPolarHBondContact O-CB 3.27Å; A28-Q31 PolarHBondContact O-N 3.4Å; Q31-K33 PolarHBondContact O-N 2.95Å; Q31-E34 PolarHBondContact O-N 3.2Å; Q31-G35 WeakPolarHBondContact O-CA 3.46Å; Q31-G35 PolarHBondContact O-N 2.83Å; Q31-I36 VanDerWaalsContact CA-O 3.3Å; Q31-I36 WeakPolarHBondContact CA-O 3.29Å; Q31-I36 WeakPolarHBondContact CB-O 3.04Å; Q31-P38 HydrophobicContact CB-CG 4.48Å; Q31-P38 VanDerWaalsContact CD-CD 3.46Å
32D85.3Confident89.5Confident133 Ų13347.4 Ų47.471%0.71125%0.25SC*.Hα-helixtrans-60.7-30.8178.6-66.1-24.2000112.8A28 I30A28-D32 VanDerWaalsContact O-CG 3.31Å; A28-D32 PolarHBondContact O-N 3.17Å; I30-D32 VanDerWaalsContact C-N 3.3Å; I30-D32 PolarHBondContact O-N 3.36Å
33K89.5Confident89.4Confident122 Ų12245.8 Ų45.853%0.5324%0.24SC..Hα-helixtrans-92.1-35.1-178.9-72.6-160-177.7-163.30114.6I13 T14 L15 K29 I30 Q31I13-K33 HydrophobicContact CG2-CD 4.19Å; T14-K33 PolarHBondContact O-NZ 3.41Å; L15-K33 HydrophobicContact CD2-CD 3.75Å; L15-K33 HydrophobicContact CD2-CG 4.45Å; K29-K33 WeakPolarHBondContact O-CG 3.38Å; K29-K33 PolarHBondContact O-N 3.41Å; I30-K33 PolarHBondContact O-N 3.17Å; I30-K33 VanDerWaalsContact O-N 3.17Å; Q31-K33 PolarHBondContact O-N 2.95Å
34E87.7Confident89.4Confident60 Ų6047.8 Ų47.828%0.2825%0.25SC..Hα-helixtrans-122-4.7-167.5-62.2-72.1138.200112.8K11 I13 I30 Q31 I36K11-E34 WeakPolarHBondContact CE-OE1 3.15Å; K11-E34 IonicContact NZ-OE1 2.91Å; K11-E34 PolarHBondContact NZ-OE1 2.84Å; K11-E34 IonicContact NZ-OE2 2.63Å; K11-E34 PolarHBondContact NZ-OE2 2.73Å; I13-E34 HydrophobicContact CD1-CG 3.59Å; I13-E34 HydrophobicContact CG1-CG 3.91Å; I13-E34 HydrophobicContact CG2-CG 4.38Å; I30-E34 HydrophobicContact CG2-CB 4.4Å; I30-E34 HydrophobicContact CG2-CG 4.47Å; I30-E34 WeakPolarHBondContact O-CB 3.49Å; I30-E34 PolarHBondContact O-N 2.86Å; Q31-E34 PolarHBondContact O-N 3.2Å; E34-I36 HydrophobicContact CB-CD1 3.82Å; E34-I36 HydrophobicContact CB-CG1 4.07Å; E34-I36 PolarHBondContact O-N 2.85Å
35G81.7Confident89.5Confident56 Ų5644.4 Ų44.458%0.57723%0.233SC*.  trans70.69.3-179.200000114.6Q31 P37Q31-G35 WeakPolarHBondContact O-CA 3.46Å; Q31-G35 PolarHBondContact O-N 2.83Å; G35-P37 WeakPolarHBondContact O-CD 3.28Å
36I83.8Confident89.3Confident26 Ų2645.2 Ų45.213%0.13325%0.25CS..  trans-85.9119.9-176.2-57.3162.4000109.3Q31 E34 Q40 Q41 L69 L71Q31-I36 VanDerWaalsContact CA-O 3.3Å; Q31-I36 WeakPolarHBondContact CA-O 3.29Å; Q31-I36 WeakPolarHBondContact CB-O 3.04Å; E34-I36 HydrophobicContact CB-CD1 3.82Å; E34-I36 HydrophobicContact CB-CG1 4.07Å; E34-I36 PolarHBondContact O-N 2.85Å; I36-Q40 HydrophobicContact CG2-CB 4.21Å; I36-Q41 HydrophobicContact CB-CG 4.24Å; I36-Q41 HydrophobicContact CG2-CG 3.58Å; I36-Q41 PolarHBondContact O-NE2 2.71Å; I36-L69 HydrophobicContact CD1-CD2 3.87Å; I36-L71 HydrophobicContact CD1-CD2 4.12Å; I36-L71 HydrophobicContact CG1-CD2 4.45Å; I36-L71 HydrophobicContact CG2-CD2 3.44Å; I36-L71 VanDerWaalsContact CG2-CD2 3.44Å
37P82.2Confident88.9Confident10 Ų1048.8 Ų48.87%0.06529%0.287CS..  trans-59.6139.4178.2-28.938.9000114.1G35 D39 Q40 Q41G35-P37 WeakPolarHBondContact O-CD 3.28Å; P37-D39 VanDerWaalsContact C-N 3.25Å; P37-D39 WeakPolarHBondContact CB-OD1 3.05Å; P37-D39 PolarHBondContact O-N 3.46Å; P37-Q40 HydrophobicContact CB-CG 4.31Å; P37-Q40 WeakPolarHBondContact O-CB 3.49Å; P37-Q40 PolarHBondContact O-N 2.8Å; P37-Q41 WeakPolarHBondContact O-CG 3.38Å; P37-Q41 PolarHBondContact O-N 2.88Å
38P86.2Confident88.8Confident24 Ų2455.7 Ų55.716%0.15632%0.317CS..THydrogen-bonded Turntrans-54.8-31.7-177.6-31.737.2000115.7K27 Q31 Q41 E94K27-P38 HydrophobicContact CB-CB 3.8Å; K27-P38 HydrophobicContact CB-CG 4.29Å; K27-P38 HydrophobicContact CD-CB 4.17Å; K27-P38 WeakPolarHBondContact CD-O 3.45Å; K27-P38 WeakPolarHBondContact CE-O 3.46Å; K27-P38 PolarHBondContact NZ-O 3.41Å; Q31-P38 HydrophobicContact CB-CG 4.48Å; Q31-P38 VanDerWaalsContact CD-CD 3.46Å; P38-Q41 PolarHBondContact O-N 2.84Å; P38-E94 WeakPolarHBondContact CD-OE1 3.39Å
39D79Confident88.7Confident48 Ų4857.8 Ų57.826%0.25732%0.32SS..THydrogen-bonded Turntrans-70.2-32.1177.368.2-26.2000112.5P37 Q41 R72 G76P37-D39 VanDerWaalsContact C-N 3.25Å; P37-D39 WeakPolarHBondContact CB-OD1 3.05Å; P37-D39 PolarHBondContact O-N 3.46Å; D39-Q41 VanDerWaalsContact C-N 3.32Å; D39-R72 PolarHBondContact O-NH1 2.94Å; D39-G76 WeakPolarHBondContact OD2-CA 3.34Å
40Q82.2Confident88.7Confident41 Ų4154.8 Ų54.819%0.19231%0.307CS..THydrogen-bonded Turntrans-75.8-21.3171.6-63-176.211.900112.3I36 P37 R42 L71 R72 E92I36-Q40 HydrophobicContact CG2-CB 4.21Å; P37-Q40 HydrophobicContact CB-CG 4.31Å; P37-Q40 WeakPolarHBondContact O-CB 3.49Å; P37-Q40 PolarHBondContact O-N 2.8Å; Q40-R42 PolarHBondContact O-N 3.33Å; Q40-L71 CarbonylContact O-C 3.57Å; Q40-L71 WeakPolarHBondContact O-CA 3.1Å; Q40-R72 PolarHBondContact O-N 2.85Å; Q40-E92 VanDerWaalsContact NE2-CB 3.26Å
41Q89.7Confident88.7Confident0 Ų059.6 Ų59.60%033%0.33CS..EExtended strand (participates in β ladder)trans-81.1123.1-178.8-62.9179.140.800112.3K27 I30 I36 P37 P38 D39 L69 R72K27-Q41 VanDerWaalsContact CA-OE1 3.22Å; K27-Q41 HydrophobicContact CD-CB 4.35Å; K27-Q41 WeakPolarHBondContact CE-O 3.38Å; K27-Q41 HydrophobicContact CG-CB 4.01Å; K27-Q41 PolarHBondContact NZ-O 2.76Å; K27-Q41 PolarHBondContact O-NE2 2.67Å; K27-Q41 PolarHBondContact O-OE1 2.68Å; I30-Q41 VanDerWaalsContact CB-OE1 3.25Å; I30-Q41 VanDerWaalsContact CD1-OE1 3.23Å; I30-Q41 HydrophobicContact CG2-CG 4.48Å; I36-Q41 HydrophobicContact CB-CG 4.24Å; I36-Q41 HydrophobicContact CG2-CG 3.58Å; I36-Q41 PolarHBondContact O-NE2 2.71Å; P37-Q41 WeakPolarHBondContact O-CG 3.38Å; P37-Q41 PolarHBondContact O-N 2.88Å; P38-Q41 PolarHBondContact O-N 2.84Å; D39-Q41 VanDerWaalsContact C-N 3.32Å; Q41-L69 HydrophobicContact CB-CD1 3.67Å; Q41-L69 HydrophobicContact CG-CD1 3.84Å; Q41-R72 PolarHBondContact O-NH1 2.86Å
42R90.4Very high88.7Confident103 Ų10360.2 Ų60.239%0.38934%0.335SS..EExtended strand (participates in β ladder)trans-113104.4166.7-170.3-174.9-160-173.74.2109Q40 I44 Q49 V70 R72Q40-R42 PolarHBondContact O-N 3.33Å; R42-I44 HydrophobicContact CG-CG1 4.43Å; R42-Q49 HydrophobicContact CG-CG 4.05Å; R42-V70 WeakPolarHBondContact CA-O 3.24Å; R42-V70 HydrophobicContact CB-CB 4.25Å; R42-V70 WeakPolarHBondContact CB-O 3.35Å; R42-V70 PolarHBondContact N-O 2.88Å; R42-V70 PolarHBondContact O-N 2.72Å; R42-R72 HydrophobicContact CB-CG 4.23Å
43L94.7Very high89.1Confident0 Ų057.4 Ų57.40%034%0.338CS..EExtended strand (participates in β ladder)trans-86.7134.8174.9-63.1178.8000110.6V5 I23 V26 K27 I30 L50 L67 H68 L69V5-L43 HydrophobicContact CG1-CD2 4.02Å; I23-L43 HydrophobicContact CG2-CD1 4.23Å; V26-L43 HydrophobicContact CB-CD1 4.34Å; V26-L43 HydrophobicContact CG1-CD1 3.85Å; K27-L43 HydrophobicContact CG-CD1 3.94Å; K27-L43 HydrophobicContact CG-CG 4.41Å; I30-L43 HydrophobicContact CD1-CD1 3.96Å; I30-L43 HydrophobicContact CD1-CD2 3.69Å; I30-L43 HydrophobicContact CD1-CG 4.35Å; L43-L50 HydrophobicContact CB-CB 4.21Å; L43-L50 HydrophobicContact CB-CD1 3.96Å; L43-L50 HydrophobicContact CB-CG 4.29Å; L43-L50 PolarHBondContact O-N 3.25Å; L43-L67 HydrophobicContact CD1-CD2 4.24Å; L43-H68 CarbonylContact C-O 3.59Å; L43-H68 WeakPolarHBondContact CA-O 3.43Å; L43-L69 HydrophobicContact CD2-CB 4.08Å; L43-L69 HydrophobicContact CD2-CD1 3.81Å
44I95.4Very high89.3Confident41 Ų4157 Ų5721%0.2133%0.333CS..EExtended strand (participates in β ladder)trans-128.9133.1-179.3-57.4172.9000108.1R42 K48 H68 V70R42-I44 HydrophobicContact CG-CG1 4.43Å; I44-K48 CarbonylContact C-O 3.52Å; I44-K48 VanDerWaalsContact CA-O 3.28Å; I44-K48 WeakPolarHBondContact CA-O 3.29Å; I44-K48 WeakPolarHBondContact CG2-O 3.31Å; I44-H68 HydrophobicContact CB-CB 4.3Å; I44-H68 PolarHBondContact N-O 2.87Å; I44-H68 PolarHBondContact O-N 2.81Å; I44-V70 HydrophobicContact CD1-CG2 3.85Å
45F96.4Very high89.8Confident44 Ų4455.4 Ų55.419%0.19333%0.327CS..EExtended strand (participates in β ladder)trans-138136.3173-178.9-111.9000109.5G47 K48 L50 I61 L67F45-G47 PolarHBondContact O-N 3.29Å; F45-G47 VanDerWaalsContact O-N 3.11Å; F45-K48 PolarHBondContact N-O 3.34Å; F45-K48 PolarHBondContact O-N 2.73Å; F45-L50 HydrophobicContact CB-CD1 4.07Å; F45-L50 HydrophobicContact CB-CD2 3.96Å; F45-L50 HydrophobicContact CB-CG 4.29Å; F45-I61 HydrophobicContact CB-CD1 4.38Å; F45-I61 HydrophobicContact CD1-CD1 4.12Å; F45-I61 HydrophobicContact CD1-CG1 3.55Å; F45-I61 HydrophobicContact CD2-CG1 4.43Å; F45-I61 HydrophobicContact CE1-CG1 3.64Å; F45-I61 HydrophobicContact CG-CD1 4.21Å; F45-I61 HydrophobicContact CG-CG1 3.97Å; F45-I61 HydrophobicContact CZ-CG1 4.14Å; F45-L67 HydrophobicContact CB-CG 4.37Å; F45-L67 HydrophobicContact CD2-CD1 4.4Å; F45-L67 HydrophobicContact CD2-CG 4.48Å
46A91Very high90.4Very high90 Ų9052.8 Ų52.874%0.74430%0.3SS*.THydrogen-bonded Turntrans4839.8-176.900000113.6K48A46-K48 PolarHBondContact O-N 2.82Å
47G88.3Confident90.9Very high74 Ų7454.2 Ų54.276%0.76331%0.312SS*.THydrogen-bonded Turntrans75.1-1.1-179.200000115.6F45F45-G47 PolarHBondContact O-N 3.29Å; F45-G47 VanDerWaalsContact O-N 3.11Å
48K90.9Very high91.6Very high146 Ų14658.2 Ų58.264%0.63533%0.333SS*.EExtended strand (participates in β ladder)trans-103.9136.8178-66.5-176.5179.8178.60111I44 F45 A46I44-K48 CarbonylContact C-O 3.52Å; I44-K48 VanDerWaalsContact CA-O 3.28Å; I44-K48 WeakPolarHBondContact CA-O 3.29Å; I44-K48 WeakPolarHBondContact CG2-O 3.31Å; F45-K48 PolarHBondContact N-O 3.34Å; F45-K48 PolarHBondContact O-N 2.73Å; A46-K48 PolarHBondContact O-N 2.82Å
49Q91.3Very high92Very high80 Ų8058.8 Ų58.837%0.37433%0.332SS..EExtended strand (participates in β ladder)trans-68.4135.3167.9178.9-179.2-2900109.2R42R42-Q49 HydrophobicContact CG-CG 4.05Å
50L94.7Very high92.7Very high1 Ų162.7 Ų62.71%0.00535%0.354CS..PPolyproline II helixtrans-84.8135.1176.8-55.5-173.4000110I23 L43 F45 Y59 I61 L67I23-L50 HydrophobicContact CB-CB 4.46Å; I23-L50 HydrophobicContact CD1-CB 3.84Å; I23-L50 HydrophobicContact CD1-CD1 3.61Å; I23-L50 HydrophobicContact CD1-CG 4.24Å; I23-L50 HydrophobicContact CG1-CB 3.85Å; I23-L50 HydrophobicContact CG2-CB 3.8Å; L43-L50 HydrophobicContact CB-CB 4.21Å; L43-L50 HydrophobicContact CB-CD1 3.96Å; L43-L50 HydrophobicContact CB-CG 4.29Å; L43-L50 PolarHBondContact O-N 3.25Å; F45-L50 HydrophobicContact CB-CD1 4.07Å; F45-L50 HydrophobicContact CB-CD2 3.96Å; F45-L50 HydrophobicContact CB-CG 4.29Å; L50-Y59 HydrophobicContact CB-CE2 4.22Å; L50-Y59 HydrophobicContact CD2-CD1 3.56Å; L50-Y59 HydrophobicContact CD2-CD2 3.66Å; L50-Y59 HydrophobicContact CD2-CE1 3.67Å; L50-Y59 HydrophobicContact CD2-CE2 3.73Å; L50-Y59 HydrophobicContact CD2-CG 3.56Å; L50-I61 HydrophobicContact CD1-CD1 3.91Å; L50-L67 HydrophobicContact CD1-CD2 3.55Å; L50-L67 HydrophobicContact CD1-CG 4.13Å
51E92.8Very high93.3Very high101 Ų10161 Ų6147%0.47235%0.346SS..PPolyproline II helixtrans-97.2135.8-179-66.6173.2177.300110I23 G53 R54 Y59I23-E51 WeakPolarHBondContact CB-O 3.39Å; I23-E51 VanDerWaalsContact CG1-O 3.29Å; I23-E51 WeakPolarHBondContact CG1-O 3.49Å; E51-G53 VanDerWaalsContact C-N 3.3Å; E51-G53 PolarHBondContact O-N 3.49Å; E51-R54 HydrophobicContact CB-CG 4.34Å; E51-R54 PolarHBondContact O-N 2.81Å; E51-R54 VanDerWaalsContact O-N 3.1Å; E51-R54 IonicContact OE1-NH2 3.39Å; E51-R54 IonicContact OE2-CZ 2.63Å; E51-R54 VanDerWaalsContact OE2-CZ 3.31Å; E51-R54 IonicContact OE2-NE 3.86Å; E51-R54 PolarHBondContact OE2-NE 2.82Å; E51-R54 IonicContact OE2-NH2 2.8Å; E51-R54 PolarHBondContact OE2-NH2 3.22Å; E51-Y59 WeakPolarHBondContact CB-OH 3.46Å; E51-Y59 PolarHBondContact N-OH 3.22Å
52D90.4Very high93.5Very high64 Ų6467.7 Ų67.734%0.34238%0.377SS..THydrogen-bonded Turntrans-58.7-38-169.1-68.4-7.2000113.4I23 E24 K27 R54I23-D52 PolarHBondContact N-O 3.31Å; E24-D52 HydrophobicContact CB-CB 4.24Å; E24-D52 PolarHBondContact N-O 2.85Å; K27-D52 WeakPolarHBondContact CE-OD1 3.24Å; K27-D52 IonicContact NZ-OD1 3.69Å; K27-D52 PolarHBondContact NZ-OD1 3.03Å; K27-D52 IonicContact NZ-OD2 2.68Å; K27-D52 PolarHBondContact NZ-OD2 2.8Å; D52-R54 VanDerWaalsContact C-N 3.32Å; D52-R54 PolarHBondContact O-N 2.85Å
53G91.8Very high93.8Very high75 Ų7569 Ų6977%0.77339%0.386SS*.THydrogen-bonded Turntrans-80.3-1.1-179.100000116E51E51-G53 VanDerWaalsContact C-N 3.3Å; E51-G53 PolarHBondContact O-N 3.49Å
54R95.7Very high93.8Very high112 Ų11274.4 Ų74.442%0.42341%0.411SS..SBendtrans-98.2156.9175.5-65.3-162-157-155.8-1.8111T22 I23 E51 D52 D58 Y59T22-R54 CarbonylContact C-O 3.49Å; T22-R54 VanDerWaalsContact CA-O 3.26Å; T22-R54 WeakPolarHBondContact CA-O 3.42Å; I23-R54 WeakPolarHBondContact CG1-O 3.36Å; I23-R54 PolarHBondContact N-O 2.69Å; E51-R54 HydrophobicContact CB-CG 4.34Å; E51-R54 PolarHBondContact O-N 2.81Å; E51-R54 VanDerWaalsContact O-N 3.1Å; E51-R54 IonicContact OE1-NH2 3.39Å; E51-R54 IonicContact OE2-CZ 2.63Å; E51-R54 VanDerWaalsContact OE2-CZ 3.31Å; E51-R54 IonicContact OE2-NE 3.86Å; E51-R54 PolarHBondContact OE2-NE 2.82Å; E51-R54 IonicContact OE2-NH2 2.8Å; E51-R54 PolarHBondContact OE2-NH2 3.22Å; D52-R54 VanDerWaalsContact C-N 3.32Å; D52-R54 PolarHBondContact O-N 2.85Å; R54-D58 HydrophobicContact CB-CB 4.22Å; R54-Y59 HydrophobicContact CB-CD2 4.32Å; R54-Y59 HydrophobicContact CB-CE2 3.55Å; R54-Y59 WeakPolarHBondContact CD-OH 3.33Å; R54-Y59 HydrophobicContact CG-CE2 4.31Å
55T96.4Very high93.8Very high28 Ų2873.4 Ų73.417%0.17241%0.407CS..BIsolated β-bridgetrans-89.5163.8176.768.10000112.2S20 D21 T22 S57 D58 Y59S20-T55 WeakPolarHBondContact O-CG2 3.43Å; D21-T55 CarbonylContact O-C 3.52Å; D21-T55 VanDerWaalsContact O-CA 3.23Å; D21-T55 WeakPolarHBondContact O-CA 3.31Å; T22-T55 HydrophobicContact CG2-CG2 4.46Å; T55-S57 PolarHBondContact O-N 3.02Å; T55-S57 PolarHBondContact OG1-N 2.91Å; T55-S57 PolarHBondContact OG1-OG 2.91Å; T55-D58 PolarHBondContact N-OD2 2.98Å; T55-D58 WeakPolarHBondContact O-CB 3.49Å; T55-D58 PolarHBondContact O-N 3.42Å; T55-D58 PolarHBondContact OG1-N 3.31Å; T55-D58 PolarHBondContact OG1-OD2 2.81Å; T55-Y59 WeakPolarHBondContact O-CD2 3.37Å
56L95.6Very high93.8Very high0 Ų073.5 Ų73.50%041%0.412CS..THydrogen-bonded Turntrans-58.1-36.9170.4-71.5-179.9000112.2M1 I3 V17 D21 I23 V26 D58 Y59 N60 I61M1-L56 HydrophobicContact CE-CB 4.41Å; M1-L56 HydrophobicContact CE-CD1 4.14Å; I3-L56 HydrophobicContact CD1-CD1 4.42Å; V17-L56 HydrophobicContact CB-CD1 3.55Å; V17-L56 HydrophobicContact CG1-CD1 4.15Å; V17-L56 HydrophobicContact CG2-CD1 3.35Å; D21-L56 HydrophobicContact CB-CD1 4.27Å; D21-L56 PolarHBondContact O-N 3.39Å; I23-L56 HydrophobicContact CD1-CD2 3.86Å; V26-L56 HydrophobicContact CG2-CD1 3.91Å; V26-L56 HydrophobicContact CG2-CD2 3.99Å; V26-L56 HydrophobicContact CG2-CG 4.02Å; L56-D58 VanDerWaalsContact C-N 3.34Å; L56-D58 PolarHBondContact O-N 2.76Å; L56-Y59 PolarHBondContact O-N 2.76Å; L56-N60 PolarHBondContact O-N 2.99Å; L56-I61 HydrophobicContact CB-CB 4.25Å; L56-I61 HydrophobicContact CD2-CB 4.16Å; L56-I61 HydrophobicContact CD2-CD1 3.44Å; L56-I61 VanDerWaalsContact CD2-CD1 3.44Å; L56-I61 HydrophobicContact CD2-CG1 4.39Å; L56-I61 HydrophobicContact CD2-CG2 4.09Å; L56-I61 WeakPolarHBondContact O-CB 3.39Å; L56-I61 PolarHBondContact O-N 3.18Å
57S94.5Very high94.1Very high57 Ų5769.2 Ų69.240%0.39938%0.376SS..G310 helixtrans-64.7-35177.272.10000113P19 T55 Y59 N60P19-S57 VanDerWaalsContact O-CB 3.29Å; P19-S57 WeakPolarHBondContact O-CB 3.26Å; P19-S57 PolarHBondContact O-N 3.12Å; P19-S57 PolarHBondContact O-OG 3.17Å; T55-S57 PolarHBondContact O-N 3.02Å; T55-S57 PolarHBondContact OG1-N 2.91Å; T55-S57 PolarHBondContact OG1-OG 2.91Å; S57-Y59 PolarHBondContact O-N 2.79Å; S57-Y59 VanDerWaalsContact O-N 3.16Å; S57-N60 PolarHBondContact O-N 3.01Å
58D95.2Very high94.5Very high93 Ų9370.5 Ų70.550%0.49736%0.362SS..G310 helixtrans-62.3-24.9176.8-64.6-45.5000112.7R54 T55 L56R54-D58 HydrophobicContact CB-CB 4.22Å; T55-D58 PolarHBondContact N-OD2 2.98Å; T55-D58 WeakPolarHBondContact O-CB 3.49Å; T55-D58 PolarHBondContact O-N 3.42Å; T55-D58 PolarHBondContact OG1-N 3.31Å; T55-D58 PolarHBondContact OG1-OD2 2.81Å; L56-D58 VanDerWaalsContact C-N 3.34Å; L56-D58 PolarHBondContact O-N 2.76Å
59Y95.7Very high94.6Very high36 Ų3663.8 Ų63.814%0.14133%0.333CS..G310 helixtrans-99.16.9176.8-68.4-73.6000113.6I23 L50 E51 R54 T55 L56 S57 I61I23-Y59 HydrophobicContact CD1-CD2 4.24Å; I23-Y59 HydrophobicContact CD1-CE2 4.33Å; I23-Y59 HydrophobicContact CG1-CD2 4.39Å; I23-Y59 HydrophobicContact CG1-CE2 4.01Å; L50-Y59 HydrophobicContact CB-CE2 4.22Å; L50-Y59 HydrophobicContact CD2-CD1 3.56Å; L50-Y59 HydrophobicContact CD2-CD2 3.66Å; L50-Y59 HydrophobicContact CD2-CE1 3.67Å; L50-Y59 HydrophobicContact CD2-CE2 3.73Å; L50-Y59 HydrophobicContact CD2-CG 3.56Å; E51-Y59 WeakPolarHBondContact CB-OH 3.46Å; E51-Y59 PolarHBondContact N-OH 3.22Å; R54-Y59 HydrophobicContact CB-CD2 4.32Å; R54-Y59 HydrophobicContact CB-CE2 3.55Å; R54-Y59 WeakPolarHBondContact CD-OH 3.33Å; R54-Y59 HydrophobicContact CG-CE2 4.31Å; T55-Y59 WeakPolarHBondContact O-CD2 3.37Å; L56-Y59 PolarHBondContact O-N 2.76Å; S57-Y59 PolarHBondContact O-N 2.79Å; S57-Y59 VanDerWaalsContact O-N 3.16Å; Y59-I61 PolarHBondContact O-N 2.67Å
60N94.2Very high94.4Very high131 Ų13161.7 Ų61.770%0.70133%0.326SS*.THydrogen-bonded Turntrans52.234.6-173.4-64.7-51.1000112.9L56 S57 Q62L56-N60 PolarHBondContact O-N 2.99Å; S57-N60 PolarHBondContact O-N 3.01Å; N60-Q62 PolarHBondContact O-N 3Å
61I95.1Very high93.9Very high6 Ų666 Ų663%0.03135%0.348CS..  trans-74120.5175.1-66.2166.2000107.4M1 I3 F45 L50 L56 Y59 L67M1-I61 VanDerWaalsContact CE-O 3.32Å; M1-I61 WeakPolarHBondContact CE-O 2.99Å; I3-I61 HydrophobicContact CG2-CG2 4.08Å; F45-I61 HydrophobicContact CB-CD1 4.38Å; F45-I61 HydrophobicContact CD1-CD1 4.12Å; F45-I61 HydrophobicContact CD1-CG1 3.55Å; F45-I61 HydrophobicContact CD2-CG1 4.43Å; F45-I61 HydrophobicContact CE1-CG1 3.64Å; F45-I61 HydrophobicContact CG-CD1 4.21Å; F45-I61 HydrophobicContact CG-CG1 3.97Å; F45-I61 HydrophobicContact CZ-CG1 4.14Å; L50-I61 HydrophobicContact CD1-CD1 3.91Å; L56-I61 HydrophobicContact CB-CB 4.25Å; L56-I61 HydrophobicContact CD2-CB 4.16Å; L56-I61 HydrophobicContact CD2-CD1 3.44Å; L56-I61 VanDerWaalsContact CD2-CD1 3.44Å; L56-I61 HydrophobicContact CD2-CG1 4.39Å; L56-I61 HydrophobicContact CD2-CG2 4.09Å; L56-I61 WeakPolarHBondContact O-CB 3.39Å; L56-I61 PolarHBondContact O-N 3.18Å; Y59-I61 PolarHBondContact O-N 2.67Å; I61-L67 HydrophobicContact CD1-CD1 4.26Å; I61-L67 HydrophobicContact CD1-CD2 4.28Å; I61-L67 HydrophobicContact CD1-CG 4.38Å; I61-L67 HydrophobicContact CG2-CD1 4.02Å
62Q93.2Very high93Very high139 Ų13964.7 Ų64.765%0.6534%0.339SS*.  trans-107.8173-179-62.2-163.6-9.700111.6N60 E64 S65N60-Q62 PolarHBondContact O-N 3Å; Q62-E64 PolarHBondContact O-N 3.4Å; Q62-S65 PolarHBondContact N-OG 2.71Å; Q62-S65 WeakPolarHBondContact O-CB 3.41Å; Q62-S65 PolarHBondContact O-N 3.08Å; Q62-S65 PolarHBondContact O-OG 2.87Å
63K96.1Very high91.8Very high132 Ų13269.1 Ų69.157%0.57436%0.362SS*.THydrogen-bonded Turntrans-48.5138.4170.1-165.6-163.5173.1-158.90110.2M1 Q2 S65M1-K63 HydrophobicContact CB-CB 4.37Å; M1-K63 HydrophobicContact CB-CG 4.38Å; Q2-K63 CarbonylContact O-C 3.51Å; Q2-K63 WeakPolarHBondContact O-CA 3.41Å; K63-S65 PolarHBondContact O-N 3.17Å
64E94.3Very high90.4Very high113 Ų11376 Ų7653%0.52837%0.365SS..THydrogen-bonded Turntrans65.68.7-179.2-66.8160.2-147.500115.2Q2 F4 Q62Q2-E64 PolarHBondContact O-N 3.03Å; F4-E64 HydrophobicContact CE2-CB 4.11Å; F4-E64 HydrophobicContact CE2-CG 4.12Å; Q62-E64 PolarHBondContact O-N 3.4Å
65S96.5Very high88.8Confident20 Ų2073.1 Ų73.114%0.1437%0.369CS..  trans-62.6147.7171.7-64.80000111.7F4 Q62 K63F4-S65 PolarHBondContact N-O 2.97Å; Q62-S65 PolarHBondContact N-OG 2.71Å; Q62-S65 WeakPolarHBondContact O-CB 3.41Å; Q62-S65 PolarHBondContact O-N 3.08Å; Q62-S65 PolarHBondContact O-OG 2.87Å; K63-S65 PolarHBondContact O-N 3.17Å
66T96.1Very high87.6Confident46 Ų4672 Ų7228%0.28236%0.363SS..EExtended strand (participates in β ladder)trans-112.5114177.4-57.40000111.4F4 K6F4-T66 HydrophobicContact CB-CG2 4.31Å; F4-T66 CarbonylContact O-C 3.57Å; F4-T66 VanDerWaalsContact O-CA 3.3Å; F4-T66 WeakPolarHBondContact O-CA 3.45Å; K6-T66 HydrophobicContact CB-CG2 4.25Å; K6-T66 HydrophobicContact CD-CG2 3.89Å; K6-T66 HydrophobicContact CG-CG2 3.77Å
67L96.8Very high87.2Confident0 Ų073.3 Ų73.30%037%0.37CS..EExtended strand (participates in β ladder)trans-87.2155.8169.5-7066.4000109.3I3 F4 V5 K6 L43 F45 L50 I61I3-L67 HydrophobicContact CD1-CD1 3.95Å; I3-L67 HydrophobicContact CD1-CD2 4.4Å; F4-L67 PolarHBondContact O-N 3.02Å; V5-L67 CarbonylContact C-O 3.58Å; V5-L67 WeakPolarHBondContact CA-O 3.08Å; V5-L67 HydrophobicContact CG2-CB 4.33Å; K6-L67 PolarHBondContact N-O 2.75Å; L43-L67 HydrophobicContact CD1-CD2 4.24Å; F45-L67 HydrophobicContact CB-CG 4.37Å; F45-L67 HydrophobicContact CD2-CD1 4.4Å; F45-L67 HydrophobicContact CD2-CG 4.48Å; L50-L67 HydrophobicContact CD1-CD2 3.55Å; L50-L67 HydrophobicContact CD1-CG 4.13Å; I61-L67 HydrophobicContact CD1-CD1 4.26Å; I61-L67 HydrophobicContact CD1-CD2 4.28Å; I61-L67 HydrophobicContact CD1-CG 4.38Å; I61-L67 HydrophobicContact CG2-CD1 4.02Å
68H96.4Very high86.9Confident101 Ų10173 Ų7347%0.46836%0.362SS..EExtended strand (participates in β ladder)trans-111.3128.1175.7-66.642.5000108.7K6 L43 I44K6-H68 CarbonylContact O-C 3.57Å; K6-H68 WeakPolarHBondContact O-CA 3.42Å; L43-H68 CarbonylContact C-O 3.59Å; L43-H68 WeakPolarHBondContact CA-O 3.43Å; I44-H68 HydrophobicContact CB-CB 4.3Å; I44-H68 PolarHBondContact N-O 2.87Å; I44-H68 PolarHBondContact O-N 2.81Å
69L93.4Very high86.9Confident5 Ų568.6 Ų68.63%0.02634%0.338CS..EExtended strand (participates in β ladder)trans-100.4121176.7175.462.7000110V5 K6 I13 I30 I36 Q41 L43V5-L69 HydrophobicContact CG1-CB 3.57Å; V5-L69 HydrophobicContact CG1-CD2 4.49Å; K6-L69 PolarHBondContact O-N 3.45Å; I13-L69 HydrophobicContact CD1-CD2 4.45Å; I30-L69 HydrophobicContact CG2-CD2 4Å; I36-L69 HydrophobicContact CD1-CD2 3.87Å; Q41-L69 HydrophobicContact CB-CD1 3.67Å; Q41-L69 HydrophobicContact CG-CD1 3.84Å; L43-L69 HydrophobicContact CD2-CB 4.08Å; L43-L69 HydrophobicContact CD2-CD1 3.81Å
70V88.4Confident86.9Confident36 Ų3669.5 Ų69.522%0.21834%0.343CS..EExtended strand (participates in β ladder)trans-115.5133.2171.3179.20000108.3L8 R42 I44L8-V70 HydrophobicContact CD1-CG1 4.23Å; L8-V70 HydrophobicContact CD1-CG2 4.35Å; L8-V70 HydrophobicContact CD2-CG2 4.27Å; L8-V70 HydrophobicContact CG-CG2 4.36Å; R42-V70 WeakPolarHBondContact CA-O 3.24Å; R42-V70 HydrophobicContact CB-CB 4.25Å; R42-V70 WeakPolarHBondContact CB-O 3.35Å; R42-V70 PolarHBondContact N-O 2.88Å; R42-V70 PolarHBondContact O-N 2.72Å; I44-V70 HydrophobicContact CD1-CG2 3.85Å
71L83.4Confident87Confident91 Ų9163.2 Ų63.248%0.47631%0.31SS..EExtended strand (participates in β ladder)trans-82130176.8-60.8179.8000110.5I36 Q40I36-L71 HydrophobicContact CD1-CD2 4.12Å; I36-L71 HydrophobicContact CG1-CD2 4.45Å; I36-L71 HydrophobicContact CG2-CD2 3.44Å; I36-L71 VanDerWaalsContact CG2-CD2 3.44Å; Q40-L71 CarbonylContact O-C 3.57Å; Q40-L71 WeakPolarHBondContact O-CA 3.1Å
72R74.4Confident87.1Confident74 Ų7467.2 Ų67.228%0.27933%0.327SS..  trans-77.6132.2168.3-62.7-166.8-177.285.57.1108.7D39 Q40 Q41 R42D39-R72 PolarHBondContact O-NH1 2.94Å; Q40-R72 PolarHBondContact O-N 2.85Å; Q41-R72 PolarHBondContact O-NH1 2.86Å; R42-R72 HydrophobicContact CB-CG 4.23Å
73L65.1Low87Confident157 Ų15761.9 Ų61.982%0.82230%0.304SS*.SBendtrans-82.6-17.7-176.7-68.7170.1000114.7
74R62.7Low86.5Confident220 Ų22062.2 Ų62.283%0.8331%0.311SS*.SBendtrans-150.427.3-164-63.5-166.7-69.1-143.50.6116
75G62Low86Confident51 Ų5162.9 Ų62.953%0.52632%0.323SS..  trans-95.3-18-171.400000116.5
76G71.3Confident85.4Confident4 Ų464.4 Ų64.44%0.04134%0.342CS..SBendtrans-95.1178.1-163.400000116.2D39 Q78D39-G76 WeakPolarHBondContact OD2-CA 3.34Å; G76-Q78 PolarHBondContact O-N 2.86Å
77M87.1Confident85.2Confident28 Ų2867.2 Ų67.214%0.13835%0.35CS..EExtended strand (participates in β ladder)trans-72.3110.6166.3166.4171.5159.600108.3I79 V93 P95 L132 I137 K139M77-I79 HydrophobicContact CE-CG2 4.13Å; M77-V93 WeakPolarHBondContact CB-O 3.3Å; M77-V93 HydrophobicContact CE-CG2 4.14Å; M77-V93 HydrophobicContact CG-CG2 4.08Å; M77-V93 WeakPolarHBondContact O-CG2 3.21Å; M77-V93 PolarHBondContact O-N 2.94Å; M77-P95 HydrophobicContact SD-CG 3.7Å; M77-L132 HydrophobicContact CE-CD1 4.34Å; M77-I137 HydrophobicContact CE-CG2 4.41Å; M77-I137 WeakPolarHBondContact CE-O 3.24Å; M77-K139 HydrophobicContact CG-CB 4.08Å
78Q88.2Confident85Confident50 Ų5070.2 Ų70.223%0.23437%0.369CS..EExtended strand (participates in β ladder)trans-94143.1174.9-71.7178.71400110.6G76 T90 L91 E92 K139 E140G76-Q78 PolarHBondContact O-N 2.86Å; Q78-T90 HydrophobicContact CB-CG2 4.47Å; Q78-T90 HydrophobicContact CG-CG2 4.46Å; Q78-L91 CarbonylContact C-O 3.53Å; Q78-L91 VanDerWaalsContact CA-O 3.26Å; Q78-L91 WeakPolarHBondContact CA-O 3.44Å; Q78-E92 VanDerWaalsContact CD-OE1 3.24Å; Q78-E92 HydrophobicContact CG-CG 4.42Å; Q78-E92 WeakPolarHBondContact CG-OE1 3.27Å; Q78-E92 WeakPolarHBondContact CG-OE2 3.27Å; Q78-E92 PolarHBondContact NE2-OE1 3.28Å; Q78-K139 CarbonylContact O-C 3.49Å; Q78-E140 PolarHBondContact O-N 3.23Å
79I94.2Very high84.7Confident0 Ų065.7 Ų65.70%035%0.348CS..EExtended strand (participates in β ladder)trans-126.5163.3165.764171.2000109.9M77 L91 V93 V102 L132 I137 S141 L143M77-I79 HydrophobicContact CE-CG2 4.13Å; I79-L91 HydrophobicContact CG1-CB 4.03Å; I79-L91 PolarHBondContact N-O 3.2Å; I79-L91 PolarHBondContact O-N 3.05Å; I79-V93 HydrophobicContact CB-CG2 4.3Å; I79-V93 HydrophobicContact CD1-CG1 3.92Å; I79-V93 HydrophobicContact CD1-CG2 4.01Å; I79-V93 HydrophobicContact CG1-CG1 3.98Å; I79-V93 HydrophobicContact CG1-CG2 3.79Å; I79-V93 HydrophobicContact CG2-CG2 3.73Å; I79-V102 HydrophobicContact CD1-CG1 4.3Å; I79-L132 HydrophobicContact CD1-CD1 4.25Å; I79-L132 HydrophobicContact CD1-CD2 4.39Å; I79-I137 HydrophobicContact CG2-CG2 3.95Å; I79-S141 WeakPolarHBondContact CA-O 3.36Å; I79-L143 HydrophobicContact CD1-CD1 4.05Å; I79-L143 HydrophobicContact CD1-CD2 4.19Å
80F96Very high84.6Confident55 Ų5568.2 Ų68.224%0.24136%0.364CS..EExtended strand (participates in β ladder)trans-113.5140.8177.2-57.4-75.9000110.3T88 I89 T90 E140 S141 T142 L143F80-T88 HydrophobicContact CB-CG2 3.84Å; F80-T88 HydrophobicContact CD1-CG2 3.91Å; F80-T88 HydrophobicContact CG-CG2 4.23Å; F80-I89 CarbonylContact C-O 3.53Å; F80-I89 WeakPolarHBondContact CA-O 3.24Å; F80-T90 HydrophobicContact CD1-CG2 4.31Å; F80-T90 HydrophobicContact CE1-CG2 4.03Å; F80-E140 HydrophobicContact CE2-CB 4.04Å; F80-E140 HydrophobicContact CE2-CG 4.09Å; F80-S141 PolarHBondContact N-O 3.44Å; F80-T142 HydrophobicContact CB-CG2 4.32Å; F80-T142 CarbonylContact O-C 3.49Å; F80-T142 VanDerWaalsContact O-CA 3.27Å; F80-T142 WeakPolarHBondContact O-CA 3.48Å; F80-L143 PolarHBondContact O-N 3.31Å
81V96.8Very high84.7Confident0 Ų066.6 Ų66.60%035%0.354CS..EExtended strand (participates in β ladder)trans-121113.3174.8-177.40000108.3I89 L91 I106 L119 L143 L145V81-I89 HydrophobicContact CB-CB 4.27Å; V81-I89 HydrophobicContact CG1-CD1 4.49Å; V81-I89 PolarHBondContact N-O 3.43Å; V81-I89 PolarHBondContact O-N 3.11Å; V81-L91 HydrophobicContact CG2-CD1 3.6Å; V81-L91 HydrophobicContact CG2-CG 4.26Å; V81-I106 HydrophobicContact CG1-CD1 4.14Å; V81-I106 HydrophobicContact CG2-CD1 4.14Å; V81-L119 HydrophobicContact CG1-CD2 4.01Å; V81-L143 CarbonylContact C-O 3.57Å; V81-L143 WeakPolarHBondContact CA-O 3.4Å; V81-L143 HydrophobicContact CG2-CB 4.32Å; V81-L145 HydrophobicContact CG1-CB 3.52Å; V81-L145 HydrophobicContact CG1-CD2 4.42Å
82K96.2Very high84.9Confident89 Ų8964 Ų6439%0.38734%0.34SS..EExtended strand (participates in β ladder)trans-92.9126.4177.2-76.7-171.7178.7-176.30110.9K87 T88 T142 L143 H144 L145K82-K87 WeakPolarHBondContact CA-O 3.47Å; K82-T88 HydrophobicContact CG-CG2 4.29Å; K82-T142 HydrophobicContact CB-CG2 4.28Å; K82-T142 HydrophobicContact CD-CG2 3.86Å; K82-T142 HydrophobicContact CG-CG2 3.75Å; K82-L143 PolarHBondContact N-O 3.43Å; K82-H144 CarbonylContact O-C 3.6Å; K82-H144 WeakPolarHBondContact O-CA 3.04Å; K82-L145 PolarHBondContact O-N 3.01Å
83T90.8Very high85.6Confident27 Ų2760.6 Ų60.617%0.16633%0.327CS..EExtended strand (participates in β ladder)trans-81.8163.2170.964.50000110.6T85 G86 K87 I89 L145T83-T85 PolarHBondContact O-N 3.33Å; T83-T85 PolarHBondContact OG1-OG1 3.44Å; T83-G86 PolarHBondContact O-N 2.72Å; T83-K87 PolarHBondContact N-O 3.19Å; T83-K87 WeakPolarHBondContact OG1-CB 3.18Å; T83-K87 PolarHBondContact OG1-N 2.94Å; T83-K87 PolarHBondContact OG1-O 3.06Å; T83-K87 VanDerWaalsContact OG1-O 3.11Å; T83-I89 HydrophobicContact CG2-CD1 3.88Å; T83-L145 HydrophobicContact CG2-CD2 4.4Å
84L85.6Confident86.7Confident140 Ų14054.9 Ų54.973%0.73330%0.296SS*.THydrogen-bonded Turntrans-62.2-20.6175.4-68.8177.5000113.9G86 V146L84-G86 PolarHBondContact O-N 2.8Å; L84-V146 HydrophobicContact CD1-CG1 4.14Å; L84-V146 HydrophobicContact CD1-CG2 4.32Å; L84-V146 HydrophobicContact CD2-CG2 4.15Å; L84-V146 HydrophobicContact CG-CG2 4.28Å
85T84.4Confident88Confident126 Ų12647.6 Ų47.677%0.77328%0.277SS*.THydrogen-bonded Turntrans-80.9-5.3175.962.70000112.8T83T83-T85 PolarHBondContact O-N 3.33Å; T83-T85 PolarHBondContact OG1-OG1 3.44Å
86G84Confident89.3Confident53 Ų5348.7 Ų48.755%0.54628%0.276SS..SBendtrans91-6.2-177.200000114.6T83 L84 T88T83-G86 PolarHBondContact O-N 2.72Å; L84-G86 PolarHBondContact O-N 2.8Å; G86-T88 PolarHBondContact O-N 2.89Å
87K91Very high90.2Very high104 Ų10449.1 Ų49.145%0.45228%0.278SS..  trans-63.1134.3172.8-176.8-177.7174.9-171.20110K82 T83 E110K82-K87 WeakPolarHBondContact CA-O 3.47Å; T83-K87 PolarHBondContact N-O 3.19Å; T83-K87 WeakPolarHBondContact OG1-CB 3.18Å; T83-K87 PolarHBondContact OG1-N 2.94Å; T83-K87 PolarHBondContact OG1-O 3.06Å; T83-K87 VanDerWaalsContact OG1-O 3.11Å; K87-E110 WeakPolarHBondContact CE-OE1 3.24Å; K87-E110 IonicContact NZ-OE1 3.77Å; K87-E110 PolarHBondContact NZ-OE1 3.34Å; K87-E110 IonicContact NZ-OE2 2.97Å; K87-E110 PolarHBondContact NZ-OE2 2.99Å
88T92.8Very high90.6Very high64 Ų6449.4 Ų49.439%0.39328%0.281SS..EExtended strand (participates in β ladder)trans-108.4124176.8-56.50000109.7F80 K82 G86F80-T88 HydrophobicContact CB-CG2 3.84Å; F80-T88 HydrophobicContact CD1-CG2 3.91Å; F80-T88 HydrophobicContact CG-CG2 4.23Å; K82-T88 HydrophobicContact CG-CG2 4.29Å; G86-T88 PolarHBondContact O-N 2.89Å
89I91.2Very high91Very high6 Ų647 Ų473%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-103.8127.4178-55151.3000107.6F80 V81 T83 L91 K109 E110F80-I89 CarbonylContact C-O 3.53Å; F80-I89 WeakPolarHBondContact CA-O 3.24Å; V81-I89 HydrophobicContact CB-CB 4.27Å; V81-I89 HydrophobicContact CG1-CD1 4.49Å; V81-I89 PolarHBondContact N-O 3.43Å; V81-I89 PolarHBondContact O-N 3.11Å; T83-I89 HydrophobicContact CG2-CD1 3.88Å; I89-L91 HydrophobicContact CG2-CD2 4.02Å; I89-L91 HydrophobicContact CG2-CG 4.4Å; I89-K109 HydrophobicContact CG2-CD 4.32Å; I89-E110 HydrophobicContact CD1-CG 3.65Å; I89-E110 HydrophobicContact CG1-CG 3.98Å; I89-E110 HydrophobicContact CG2-CG 4.36Å
90T91.4Very high91Very high58 Ų5852.6 Ų52.636%0.35630%0.296SS..EExtended strand (participates in β ladder)trans-93.4129.6175.7-54.20000109.6Q78 F80 K109Q78-T90 HydrophobicContact CB-CG2 4.47Å; Q78-T90 HydrophobicContact CG-CG2 4.46Å; F80-T90 HydrophobicContact CD1-CG2 4.31Å; F80-T90 HydrophobicContact CE1-CG2 4.03Å; T90-K109 PolarHBondContact O-NZ 3.29Å
91L90.2Very high90.8Very high1 Ų153.3 Ų53.31%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-121.7141.2177.3-59.9177.4000110.6Q78 I79 V81 I89 V93 V102 K105 I106 K109Q78-L91 CarbonylContact C-O 3.53Å; Q78-L91 VanDerWaalsContact CA-O 3.26Å; Q78-L91 WeakPolarHBondContact CA-O 3.44Å; I79-L91 HydrophobicContact CG1-CB 4.03Å; I79-L91 PolarHBondContact N-O 3.2Å; I79-L91 PolarHBondContact O-N 3.05Å; V81-L91 HydrophobicContact CG2-CD1 3.6Å; V81-L91 HydrophobicContact CG2-CG 4.26Å; I89-L91 HydrophobicContact CG2-CD2 4.02Å; I89-L91 HydrophobicContact CG2-CG 4.4Å; L91-V93 HydrophobicContact CB-CG1 4.04Å; L91-V102 HydrophobicContact CD1-CG1 3.9Å; L91-K105 HydrophobicContact CD2-CB 4.27Å; L91-I106 HydrophobicContact CD1-CD1 4.08Å; L91-I106 HydrophobicContact CD1-CG1 3.54Å; L91-I106 HydrophobicContact CD2-CG1 4.38Å; L91-K109 HydrophobicContact CD2-CD 3.79Å
92E87.4Confident90.7Very high38 Ų3853.3 Ų53.318%0.17830%0.302CS..EExtended strand (participates in β ladder)trans-94.7122.7168.4-64.1-73.517500108.2Q40 Q78 K105Q40-E92 VanDerWaalsContact NE2-CB 3.26Å; Q78-E92 VanDerWaalsContact CD-OE1 3.24Å; Q78-E92 HydrophobicContact CG-CG 4.42Å; Q78-E92 WeakPolarHBondContact CG-OE1 3.27Å; Q78-E92 WeakPolarHBondContact CG-OE2 3.27Å; Q78-E92 PolarHBondContact NE2-OE1 3.28Å; E92-K105 PolarHBondContact O-NZ 3.14Å
93V89.8Confident90.7Very high2 Ų249.2 Ų49.21%0.01229%0.285CS..EExtended strand (participates in β ladder)trans-140.7161.9-170.9-61.80000110.7M77 I79 L91 D97 V102 K105 L132M77-V93 WeakPolarHBondContact CB-O 3.3Å; M77-V93 HydrophobicContact CE-CG2 4.14Å; M77-V93 HydrophobicContact CG-CG2 4.08Å; M77-V93 WeakPolarHBondContact O-CG2 3.21Å; M77-V93 PolarHBondContact O-N 2.94Å; I79-V93 HydrophobicContact CB-CG2 4.3Å; I79-V93 HydrophobicContact CD1-CG1 3.92Å; I79-V93 HydrophobicContact CD1-CG2 4.01Å; I79-V93 HydrophobicContact CG1-CG1 3.98Å; I79-V93 HydrophobicContact CG1-CG2 3.79Å; I79-V93 HydrophobicContact CG2-CG2 3.73Å; L91-V93 HydrophobicContact CB-CG1 4.04Å; V93-D97 VanDerWaalsContact CA-OD2 3.28Å; V93-D97 WeakPolarHBondContact CA-OD2 3.32Å; V93-V102 HydrophobicContact CG1-CG2 4.3Å; V93-K105 HydrophobicContact CG1-CD 4.11Å; V93-L132 HydrophobicContact CB-CD1 3.56Å; V93-L132 HydrophobicContact CG1-CD1 4.1Å; V93-L132 HydrophobicContact CG2-CD1 3.42Å; V93-L132 VanDerWaalsContact CG2-CD1 3.42Å
94E87.7Confident90.7Very high37 Ų3749.8 Ų49.817%0.17329%0.292CS..  trans-110.1152.2168.9-66.6-176.7162.900110.3P38 S96 D97P38-E94 WeakPolarHBondContact CD-OE1 3.39Å; E94-S96 PolarHBondContact O-N 3.24Å; E94-S96 VanDerWaalsContact O-N 3.09Å; E94-D97 PolarHBondContact N-OD2 2.98Å; E94-D97 WeakPolarHBondContact O-CB 3.27Å; E94-D97 PolarHBondContact O-N 2.96Å
95P89.7Confident90.9Very high67 Ų6745.2 Ų45.244%0.43527%0.266SS..THydrogen-bonded Turntrans-54.1-30.1174.7-24.732.3000113.7M77 L132 S133M77-P95 HydrophobicContact SD-CG 3.7Å; P95-L132 PolarHBondContact O-N 2.67Å; P95-S133 VanDerWaalsContact O-CB 3.25Å; P95-S133 WeakPolarHBondContact O-CB 3.33Å; P95-S133 PolarHBondContact O-N 2.86Å; P95-S133 PolarHBondContact O-OG 3.02Å
96S88.9Confident91.4Very high73 Ų7339.2 Ų39.251%0.5123%0.229SC..THydrogen-bonded Turntrans-78.3-12176.841.10000114.4E94 T98 T131E94-S96 PolarHBondContact O-N 3.24Å; E94-S96 VanDerWaalsContact O-N 3.09Å; S96-T98 PolarHBondContact O-N 3.49Å; S96-T131 WeakPolarHBondContact O-CG2 3.47Å
97D91.1Very high91.6Very high13 Ų1339 Ų397%0.0721%0.214CC..  trans-60.1130.8178-86.5-33.9000110.1V93 E94 N101 V102 K105 T131 L132V93-D97 VanDerWaalsContact CA-OD2 3.28Å; V93-D97 WeakPolarHBondContact CA-OD2 3.32Å; E94-D97 PolarHBondContact N-OD2 2.98Å; E94-D97 WeakPolarHBondContact O-CB 3.27Å; E94-D97 PolarHBondContact O-N 2.96Å; D97-N101 HydrophobicContact CB-CB 4.22Å; D97-N101 PolarHBondContact OD1-ND2 2.83Å; D97-V102 HydrophobicContact CB-CG2 4.39Å; D97-K105 VanDerWaalsContact OD2-CE 3.28Å; D97-K105 WeakPolarHBondContact OD2-CE 3.32Å; D97-K105 IonicContact OD2-NZ 2.96Å; D97-T131 CarbonylContact O-C 3.59Å; D97-T131 WeakPolarHBondContact O-CA 3.36Å; D97-L132 HydrophobicContact CB-CD1 4.26Å; D97-L132 HydrophobicContact CB-CG 4.5Å; D97-L132 PolarHBondContact O-N 2.81Å
98T95.1Very high91.3Very high34 Ų3440.4 Ų40.421%0.20923%0.227CC..BIsolated β-bridgetrans-70.8159.2170.664.60000110.6S96 E100 N101 V102 R130 T131S96-T98 PolarHBondContact O-N 3.49Å; T98-E100 PolarHBondContact O-N 2.97Å; T98-N101 WeakPolarHBondContact O-CB 3.27Å; T98-N101 PolarHBondContact O-N 3.36Å; T98-N101 VanDerWaalsContact O-N 3.07Å; T98-N101 PolarHBondContact OG1-N 3.03Å; T98-N101 VanDerWaalsContact OG1-N 3.11Å; T98-N101 PolarHBondContact OG1-OD1 2.88Å; T98-N101 VanDerWaalsContact OG1-OD1 3.14Å; T98-V102 WeakPolarHBondContact O-CG2 3.45Å; T98-V102 PolarHBondContact O-N 2.88Å; T98-R130 CarbonylContact C-O 3.58Å; T98-R130 VanDerWaalsContact CA-O 3.23Å; T98-R130 WeakPolarHBondContact CA-O 3.46Å; T98-T131 HydrophobicContact CG2-CG2 4.44Å
99I96.5Very high91Very high0 Ų043 Ų430%023%0.232CC..Hα-helixtrans-62.5-31.9173.9-60.7-56.9000110.9V102 K103 L119 L126 E127 D128 R130 L132 Y135I99-V102 PolarHBondContact O-N 3.06Å; I99-K103 WeakPolarHBondContact O-CG 3.44Å; I99-K103 PolarHBondContact O-N 3.46Å; I99-L119 HydrophobicContact CG2-CD1 4.18Å; I99-L126 HydrophobicContact CB-CB 4.46Å; I99-L126 HydrophobicContact CD1-CB 3.84Å; I99-L126 HydrophobicContact CD1-CD1 3.59Å; I99-L126 HydrophobicContact CD1-CG 4.24Å; I99-L126 HydrophobicContact CG1-CB 3.84Å; I99-L126 HydrophobicContact CG2-CB 3.81Å; I99-E127 VanDerWaalsContact CB-O 3.31Å; I99-E127 WeakPolarHBondContact CB-O 3.03Å; I99-E127 VanDerWaalsContact CG1-O 3.28Å; I99-E127 WeakPolarHBondContact CG1-O 3.32Å; I99-D128 PolarHBondContact N-O 2.84Å; I99-R130 WeakPolarHBondContact CG1-O 3.32Å; I99-R130 PolarHBondContact N-O 2.72Å; I99-L132 HydrophobicContact CD1-CD2 3.92Å; I99-Y135 HydrophobicContact CD1-CD2 4.28Å; I99-Y135 HydrophobicContact CD1-CE2 4.37Å; I99-Y135 HydrophobicContact CG1-CD2 4.41Å; I99-Y135 HydrophobicContact CG1-CE2 4.04Å
100E94.1Very high90.9Very high117 Ų11745.8 Ų45.855%0.54725%0.245SC..Hα-helixtrans-58.7-47.3169.4-170.4172.8-160.100112.2T98 V102 K103 A104 D128T98-E100 PolarHBondContact O-N 2.97Å; E100-V102 VanDerWaalsContact C-N 3.3Å; E100-V102 PolarHBondContact O-N 2.85Å; E100-K103 WeakPolarHBondContact O-CB 3.27Å; E100-K103 PolarHBondContact O-N 3.2Å; E100-K103 VanDerWaalsContact O-N 3.13Å; E100-A104 PolarHBondContact O-N 2.81Å; E100-D128 HydrophobicContact CB-CB 4.25Å; E100-D128 PolarHBondContact N-O 2.74Å
101N92.2Very high90.6Very high70 Ų7045.6 Ų45.637%0.37426%0.255SS..Hα-helixtrans-59.2-41.7175.1-65.6-5.3000111.6D97 T98 K103 A104 K105D97-N101 HydrophobicContact CB-CB 4.22Å; D97-N101 PolarHBondContact OD1-ND2 2.83Å; T98-N101 WeakPolarHBondContact O-CB 3.27Å; T98-N101 PolarHBondContact O-N 3.36Å; T98-N101 VanDerWaalsContact O-N 3.07Å; T98-N101 PolarHBondContact OG1-N 3.03Å; T98-N101 VanDerWaalsContact OG1-N 3.11Å; T98-N101 PolarHBondContact OG1-OD1 2.88Å; T98-N101 VanDerWaalsContact OG1-OD1 3.14Å; N101-K103 VanDerWaalsContact C-N 3.32Å; N101-K103 PolarHBondContact O-N 3.16Å; N101-A104 PolarHBondContact O-N 2.81Å; N101-K105 WeakPolarHBondContact O-CG 3.39Å; N101-K105 PolarHBondContact O-N 2.88Å
102V94.9Very high90.4Very high0 Ų046.9 Ų46.90%026%0.262CS..Hα-helixtrans-63.1-40.7177.71780000110.9I79 L91 V93 D97 T98 I99 E100 K105 I106 L119 L132I79-V102 HydrophobicContact CD1-CG1 4.3Å; L91-V102 HydrophobicContact CD1-CG1 3.9Å; V93-V102 HydrophobicContact CG1-CG2 4.3Å; D97-V102 HydrophobicContact CB-CG2 4.39Å; T98-V102 WeakPolarHBondContact O-CG2 3.45Å; T98-V102 PolarHBondContact O-N 2.88Å; I99-V102 PolarHBondContact O-N 3.06Å; E100-V102 VanDerWaalsContact C-N 3.3Å; E100-V102 PolarHBondContact O-N 2.85Å; V102-K105 PolarHBondContact O-N 2.63Å; V102-I106 HydrophobicContact CG1-CD1 4.27Å; V102-I106 WeakPolarHBondContact O-CG1 3.21Å; V102-I106 PolarHBondContact O-N 3.47Å; V102-L119 HydrophobicContact CB-CD1 4.29Å; V102-L119 HydrophobicContact CG1-CD1 3.75Å; V102-L132 HydrophobicContact CG2-CD1 3.99Å; V102-L132 HydrophobicContact CG2-CD2 3.92Å; V102-L132 HydrophobicContact CG2-CG 4.01Å
103K95.1Very high90.2Very high4 Ų445.4 Ų45.42%0.01726%0.255CS..Hα-helixtrans-65.5-42.8175.9-71.3170.6166.5-167.10112.2I99 E100 N101 K105 I106 Q107 P114 Q117 L119 D128I99-K103 WeakPolarHBondContact O-CG 3.44Å; I99-K103 PolarHBondContact O-N 3.46Å; E100-K103 WeakPolarHBondContact O-CB 3.27Å; E100-K103 PolarHBondContact O-N 3.2Å; E100-K103 VanDerWaalsContact O-N 3.13Å; N101-K103 VanDerWaalsContact C-N 3.32Å; N101-K103 PolarHBondContact O-N 3.16Å; K103-K105 VanDerWaalsContact C-N 3.31Å; K103-K105 PolarHBondContact O-N 3.29Å; K103-I106 WeakPolarHBondContact O-CB 3.48Å; K103-I106 PolarHBondContact O-N 3.13Å; K103-I106 VanDerWaalsContact O-N 3.08Å; K103-Q107 PolarHBondContact O-N 2.93Å; K103-P114 HydrophobicContact CB-CB 3.79Å; K103-P114 HydrophobicContact CB-CG 4.26Å; K103-P114 HydrophobicContact CD-CB 4.14Å; K103-P114 WeakPolarHBondContact CD-O 3.27Å; K103-P114 WeakPolarHBondContact CE-O 3.28Å; K103-P114 PolarHBondContact NZ-O 2.67Å; K103-P114 VanDerWaalsContact NZ-O 3.16Å; K103-Q117 VanDerWaalsContact CA-OE1 3.22Å; K103-Q117 HydrophobicContact CD-CB 4.36Å; K103-Q117 WeakPolarHBondContact CE-O 3.5Å; K103-Q117 HydrophobicContact CG-CB 4Å; K103-Q117 PolarHBondContact NZ-O 2.86Å; K103-Q117 PolarHBondContact O-NE2 3.26Å; K103-Q117 PolarHBondContact O-OE1 2.89Å; K103-L119 HydrophobicContact CG-CD1 3.9Å; K103-L119 HydrophobicContact CG-CG 4.46Å; K103-D128 WeakPolarHBondContact CE-OD1 3.33Å; K103-D128 IonicContact NZ-OD1 2.79Å; K103-D128 PolarHBondContact NZ-OD1 3.31Å; K103-D128 IonicContact NZ-OD2 3.68Å; K103-D128 PolarHBondContact NZ-OD2 3.14Å
104A90.5Very high90.1Very high38 Ų3846.4 Ų46.431%0.31426%0.262SS..Hα-helixtrans-57.7-45.2173.800000110.9E100 N101 I106 Q107 D108E100-A104 PolarHBondContact O-N 2.81Å; N101-A104 PolarHBondContact O-N 2.81Å; A104-I106 VanDerWaalsContact C-N 3.26Å; A104-I106 PolarHBondContact O-N 3.04Å; A104-Q107 WeakPolarHBondContact O-CA 3.46Å; A104-Q107 WeakPolarHBondContact O-CB 3.33Å; A104-Q107 PolarHBondContact O-N 2.88Å; A104-D108 PolarHBondContact O-N 2.8Å
105K91.7Very high89.9Confident44 Ų4447.2 Ų47.219%0.19127%0.268CS..Hα-helixtrans-60.3-32.1175-68.8167.8-173.1-90.70113.4L91 E92 V93 D97 N101 V102 K103 K109L91-K105 HydrophobicContact CD2-CB 4.27Å; E92-K105 PolarHBondContact O-NZ 3.14Å; V93-K105 HydrophobicContact CG1-CD 4.11Å; D97-K105 VanDerWaalsContact OD2-CE 3.28Å; D97-K105 WeakPolarHBondContact OD2-CE 3.32Å; D97-K105 IonicContact OD2-NZ 2.96Å; N101-K105 WeakPolarHBondContact O-CG 3.39Å; N101-K105 PolarHBondContact O-N 2.88Å; V102-K105 PolarHBondContact O-N 2.63Å; K103-K105 VanDerWaalsContact C-N 3.31Å; K103-K105 PolarHBondContact O-N 3.29Å; K105-K109 WeakPolarHBondContact O-CG 3.42Å; K105-K109 PolarHBondContact O-N 2.74Å
106I92.9Very high89.7Confident0 Ų045.6 Ų45.60%025%0.254CS..Hα-helixtrans-73.1-41.2173.9-67.3163000110.5V81 L91 V102 K103 A104 D108 K109 E110 Q117 L119 L145V81-I106 HydrophobicContact CG1-CD1 4.14Å; V81-I106 HydrophobicContact CG2-CD1 4.14Å; L91-I106 HydrophobicContact CD1-CD1 4.08Å; L91-I106 HydrophobicContact CD1-CG1 3.54Å; L91-I106 HydrophobicContact CD2-CG1 4.38Å; V102-I106 HydrophobicContact CG1-CD1 4.27Å; V102-I106 WeakPolarHBondContact O-CG1 3.21Å; V102-I106 PolarHBondContact O-N 3.47Å; K103-I106 WeakPolarHBondContact O-CB 3.48Å; K103-I106 PolarHBondContact O-N 3.13Å; K103-I106 VanDerWaalsContact O-N 3.08Å; A104-I106 VanDerWaalsContact C-N 3.26Å; A104-I106 PolarHBondContact O-N 3.04Å; I106-D108 VanDerWaalsContact C-N 3.31Å; I106-D108 PolarHBondContact O-N 2.81Å; I106-K109 PolarHBondContact O-N 2.92Å; I106-E110 HydrophobicContact CG2-CB 4.44Å; I106-E110 WeakPolarHBondContact O-CB 3.43Å; I106-E110 PolarHBondContact O-N 2.9Å; I106-Q117 VanDerWaalsContact CB-OE1 3.25Å; I106-Q117 HydrophobicContact CG2-CG 4.49Å; I106-L119 HydrophobicContact CD1-CD1 4.05Å; I106-L119 HydrophobicContact CD1-CD2 3.73Å; I106-L119 HydrophobicContact CD1-CG 4.39Å; I106-L145 HydrophobicContact CG2-CD2 4.04Å
107Q90.2Very high89.8Confident50 Ų5042.1 Ų42.123%0.23423%0.23CC..Hα-helixtrans-58.2-45.9174.8-176-178.519.800110.5K103 A104 K109 G111 I112 P114K103-Q107 PolarHBondContact O-N 2.93Å; A104-Q107 WeakPolarHBondContact O-CA 3.46Å; A104-Q107 WeakPolarHBondContact O-CB 3.33Å; A104-Q107 PolarHBondContact O-N 2.88Å; Q107-K109 PolarHBondContact O-N 2.97Å; Q107-G111 WeakPolarHBondContact O-CA 3.44Å; Q107-G111 PolarHBondContact O-N 3.09Å; Q107-I112 VanDerWaalsContact CA-O 3.29Å; Q107-I112 WeakPolarHBondContact CA-O 3.45Å; Q107-I112 WeakPolarHBondContact CB-O 3.28Å; Q107-I112 WeakPolarHBondContact CG-O 3.4Å; Q107-P114 HydrophobicContact CB-CG 4.5Å; Q107-P114 VanDerWaalsContact CD-CD 3.45Å
108D83.8Confident89.8Confident133 Ų13346.3 Ų46.371%0.71125%0.245SC*.Hα-helixtrans-61.4-32.6178.8-66.1-24.9000112.8A104 I106A104-D108 PolarHBondContact O-N 2.8Å; I106-D108 VanDerWaalsContact C-N 3.31Å; I106-D108 PolarHBondContact O-N 2.81Å
109K86.7Confident89.9Confident117 Ų11744.7 Ų44.751%0.50924%0.235SC..Hα-helixtrans-89.2-35.8-178.9-73-160.4-175.8-165.50114.7I89 T90 L91 K105 I106 Q107I89-K109 HydrophobicContact CG2-CD 4.32Å; T90-K109 PolarHBondContact O-NZ 3.29Å; L91-K109 HydrophobicContact CD2-CD 3.79Å; K105-K109 WeakPolarHBondContact O-CG 3.42Å; K105-K109 PolarHBondContact O-N 2.74Å; I106-K109 PolarHBondContact O-N 2.92Å; Q107-K109 PolarHBondContact O-N 2.97Å
110E88.8Confident89.8Confident65 Ų6546.4 Ų46.430%0.30424%0.244SC..Hα-helixtrans-122.3-3.8-167.8-62.1-72.9143.400112.8K87 I89 I106 I112K87-E110 WeakPolarHBondContact CE-OE1 3.24Å; K87-E110 IonicContact NZ-OE1 3.77Å; K87-E110 PolarHBondContact NZ-OE1 3.34Å; K87-E110 IonicContact NZ-OE2 2.97Å; K87-E110 PolarHBondContact NZ-OE2 2.99Å; I89-E110 HydrophobicContact CD1-CG 3.65Å; I89-E110 HydrophobicContact CG1-CG 3.98Å; I89-E110 HydrophobicContact CG2-CG 4.36Å; I106-E110 HydrophobicContact CG2-CB 4.44Å; I106-E110 WeakPolarHBondContact O-CB 3.43Å; I106-E110 PolarHBondContact O-N 2.9Å; E110-I112 HydrophobicContact CB-CD1 3.9Å; E110-I112 HydrophobicContact CB-CG1 3.95Å; E110-I112 PolarHBondContact O-N 3.24Å
111G84.3Confident90Very high55 Ų5543 Ų4357%0.56723%0.227SC*.  trans72.810.7179.800000114.7Q107 P113Q107-G111 WeakPolarHBondContact O-CA 3.44Å; Q107-G111 PolarHBondContact O-N 3.09Å; G111-P113 WeakPolarHBondContact O-CD 3.39Å
112I86.1Confident90Very high27 Ų2743.8 Ų43.814%0.13824%0.244CC..  trans-89.2118.6-173.3-53.6174000109.8Q107 E110 Q116 Q117 L145 L147Q107-I112 VanDerWaalsContact CA-O 3.29Å; Q107-I112 WeakPolarHBondContact CA-O 3.45Å; Q107-I112 WeakPolarHBondContact CB-O 3.28Å; Q107-I112 WeakPolarHBondContact CG-O 3.4Å; E110-I112 HydrophobicContact CB-CD1 3.9Å; E110-I112 HydrophobicContact CB-CG1 3.95Å; E110-I112 PolarHBondContact O-N 3.24Å; I112-Q116 HydrophobicContact CG2-CB 4.26Å; I112-Q117 HydrophobicContact CB-CG 4.31Å; I112-Q117 HydrophobicContact CG2-CG 3.67Å; I112-Q117 PolarHBondContact O-NE2 2.91Å; I112-L145 HydrophobicContact CD1-CD2 4.03Å; I112-L147 HydrophobicContact CD1-CD2 4.04Å; I112-L147 HydrophobicContact CG2-CD2 3.63Å
113P84.6Confident89.8Confident7 Ų747.4 Ų47.45%0.04528%0.28CS..  trans-59.2138.7179.2-28.438.2000113.9G111 D115 Q116 Q117G111-P113 WeakPolarHBondContact O-CD 3.39Å; P113-D115 VanDerWaalsContact C-N 3.26Å; P113-D115 WeakPolarHBondContact CB-OD1 3.4Å; P113-D115 PolarHBondContact O-N 2.96Å; P113-Q116 HydrophobicContact CB-CG 4.33Å; P113-Q116 WeakPolarHBondContact O-CB 3.28Å; P113-Q116 PolarHBondContact O-N 3.25Å; P113-Q117 WeakPolarHBondContact O-CG 3.26Å; P113-Q117 PolarHBondContact O-N 2.9Å
114P87.8Confident89.7Confident24 Ų2454.1 Ų54.116%0.15631%0.31CS..THydrogen-bonded Turntrans-54.2-33-177.8-32.437.3000115.8K103 Q107 Q116 Q117 E170K103-P114 HydrophobicContact CB-CB 3.79Å; K103-P114 HydrophobicContact CB-CG 4.26Å; K103-P114 HydrophobicContact CD-CB 4.14Å; K103-P114 WeakPolarHBondContact CD-O 3.27Å; K103-P114 WeakPolarHBondContact CE-O 3.28Å; K103-P114 PolarHBondContact NZ-O 2.67Å; K103-P114 VanDerWaalsContact NZ-O 3.16Å; Q107-P114 HydrophobicContact CB-CG 4.5Å; Q107-P114 VanDerWaalsContact CD-CD 3.45Å; P114-Q116 VanDerWaalsContact C-N 3.32Å; P114-Q117 PolarHBondContact O-N 3.12Å; P114-E170 WeakPolarHBondContact CD-OE1 3.3Å
115D82.3Confident89.7Confident54 Ų5456.4 Ų56.429%0.28931%0.314SS..THydrogen-bonded Turntrans-68.9-29.9177.568.5-23.6000112.5P113 Q117 R148 G152P113-D115 VanDerWaalsContact C-N 3.26Å; P113-D115 WeakPolarHBondContact CB-OD1 3.4Å; P113-D115 PolarHBondContact O-N 2.96Å; D115-Q117 VanDerWaalsContact C-N 3.33Å; D115-R148 PolarHBondContact O-NH1 2.81Å; D115-G152 WeakPolarHBondContact OD2-CA 3.46Å
116Q85.5Confident90Very high33 Ų3354.5 Ų54.515%0.15431%0.306CS..THydrogen-bonded Turntrans-77.3-19.8172.1-63.3-176.912.700112.7I112 P113 P114 R118 L147 R148I112-Q116 HydrophobicContact CG2-CB 4.26Å; P113-Q116 HydrophobicContact CB-CG 4.33Å; P113-Q116 WeakPolarHBondContact O-CB 3.28Å; P113-Q116 PolarHBondContact O-N 3.25Å; P114-Q116 VanDerWaalsContact C-N 3.32Å; Q116-R118 PolarHBondContact O-N 3.41Å; Q116-L147 CarbonylContact O-C 3.59Å; Q116-L147 WeakPolarHBondContact O-CA 3.38Å; Q116-R148 PolarHBondContact O-N 3.41Å
117Q91.4Very high90Very high0 Ų059.4 Ų59.40%033%0.329CS..EExtended strand (participates in β ladder)trans-84118.6-176.1-63.3179.841.400112.2K103 I106 I112 P113 P114 D115 L145 R148K103-Q117 VanDerWaalsContact CA-OE1 3.22Å; K103-Q117 HydrophobicContact CD-CB 4.36Å; K103-Q117 WeakPolarHBondContact CE-O 3.5Å; K103-Q117 HydrophobicContact CG-CB 4Å; K103-Q117 PolarHBondContact NZ-O 2.86Å; K103-Q117 PolarHBondContact O-NE2 3.26Å; K103-Q117 PolarHBondContact O-OE1 2.89Å; I106-Q117 VanDerWaalsContact CB-OE1 3.25Å; I106-Q117 HydrophobicContact CG2-CG 4.49Å; I112-Q117 HydrophobicContact CB-CG 4.31Å; I112-Q117 HydrophobicContact CG2-CG 3.67Å; I112-Q117 PolarHBondContact O-NE2 2.91Å; P113-Q117 WeakPolarHBondContact O-CG 3.26Å; P113-Q117 PolarHBondContact O-N 2.9Å; P114-Q117 PolarHBondContact O-N 3.12Å; D115-Q117 VanDerWaalsContact C-N 3.33Å; Q117-L145 HydrophobicContact CB-CD1 3.68Å; Q117-L145 HydrophobicContact CG-CD1 3.91Å; Q117-R148 VanDerWaalsContact C-NH1 3.28Å; Q117-R148 PolarHBondContact O-NH1 3.26Å
118R92.1Very high90.1Very high100 Ų10060.2 Ų60.238%0.37734%0.335SS..EExtended strand (participates in β ladder)trans-108.1102.3167.6-172.5-175.6-169.1-167.71.8109.3Q116 I120 Q125 V146 R148Q116-R118 PolarHBondContact O-N 3.41Å; R118-I120 HydrophobicContact CG-CG1 4.34Å; R118-Q125 HydrophobicContact CG-CG 4.14Å; R118-Q125 VanDerWaalsContact CZ-OE1 3.28Å; R118-V146 WeakPolarHBondContact CA-O 3.45Å; R118-V146 HydrophobicContact CB-CB 4.25Å; R118-V146 WeakPolarHBondContact CB-O 3.43Å; R118-V146 PolarHBondContact N-O 3.5Å; R118-V146 PolarHBondContact O-N 2.88Å; R118-R148 HydrophobicContact CB-CG 4.36Å
119L95.8Very high90.5Very high1 Ų157.3 Ų57.31%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-85.7134.5174.9-64.6176.6000110.7V81 I99 V102 K103 I106 L126 L143 H144 L145V81-L119 HydrophobicContact CG1-CD2 4.01Å; I99-L119 HydrophobicContact CG2-CD1 4.18Å; V102-L119 HydrophobicContact CB-CD1 4.29Å; V102-L119 HydrophobicContact CG1-CD1 3.75Å; K103-L119 HydrophobicContact CG-CD1 3.9Å; K103-L119 HydrophobicContact CG-CG 4.46Å; I106-L119 HydrophobicContact CD1-CD1 4.05Å; I106-L119 HydrophobicContact CD1-CD2 3.73Å; I106-L119 HydrophobicContact CD1-CG 4.39Å; L119-L126 HydrophobicContact CB-CB 4.23Å; L119-L126 HydrophobicContact CB-CD1 4Å; L119-L126 HydrophobicContact CB-CG 4.33Å; L119-L126 PolarHBondContact O-N 2.94Å; L119-L143 HydrophobicContact CD1-CD2 4.36Å; L119-H144 CarbonylContact C-O 3.57Å; L119-H144 WeakPolarHBondContact CA-O 3.48Å; L119-L145 HydrophobicContact CD2-CB 4.11Å; L119-L145 HydrophobicContact CD2-CD1 3.9Å
120I96Very high91Very high36 Ų3657 Ų5719%0.18533%0.332CS..EExtended strand (participates in β ladder)trans-130.2131.1-178.3-56.8171.8000108.5R118 K124 H144 V146R118-I120 HydrophobicContact CG-CG1 4.34Å; I120-K124 CarbonylContact C-O 3.49Å; I120-K124 VanDerWaalsContact CA-O 3.28Å; I120-K124 WeakPolarHBondContact CA-O 3.5Å; I120-K124 WeakPolarHBondContact CG2-O 3.09Å; I120-H144 HydrophobicContact CB-CB 4.33Å; I120-H144 PolarHBondContact N-O 2.78Å; I120-H144 PolarHBondContact O-N 2.89Å; I120-V146 HydrophobicContact CD1-CG2 3.88Å
121F97.1Very high91.3Very high44 Ų4455.2 Ų55.219%0.19333%0.325CS..EExtended strand (participates in β ladder)trans-136.1137173.3-177.8-112.4000109.7G123 K124 L126 I137 T142 L143F121-G123 PolarHBondContact O-N 2.91Å; F121-G123 VanDerWaalsContact O-N 3.09Å; F121-K124 PolarHBondContact N-O 3.38Å; F121-K124 PolarHBondContact O-N 3.15Å; F121-L126 HydrophobicContact CB-CD1 4.07Å; F121-L126 HydrophobicContact CB-CD2 3.93Å; F121-L126 HydrophobicContact CB-CG 4.27Å; F121-I137 HydrophobicContact CB-CD1 4.33Å; F121-I137 HydrophobicContact CD1-CD1 4.1Å; F121-I137 HydrophobicContact CD1-CG1 3.54Å; F121-I137 HydrophobicContact CD2-CG1 4.41Å; F121-I137 HydrophobicContact CE1-CG1 3.64Å; F121-I137 HydrophobicContact CG-CD1 4.17Å; F121-I137 HydrophobicContact CG-CG1 3.95Å; F121-I137 HydrophobicContact CZ-CG1 4.14Å; F121-T142 WeakPolarHBondContact CD2-O 3.22Å; F121-L143 HydrophobicContact CB-CG 4.31Å; F121-L143 HydrophobicContact CD2-CD1 4.13Å; F121-L143 HydrophobicContact CD2-CG 4.43Å
122A92.2Very high91.8Very high88 Ų8852.6 Ų52.673%0.72730%0.298SS*.THydrogen-bonded Turntrans47.740-177.900000113.7K124A122-K124 PolarHBondContact O-N 3.45Å
123G90.4Very high92.2Very high75 Ų7553.9 Ų53.977%0.77331%0.31SS*.THydrogen-bonded Turntrans74.7-0.8-179.100000115.6F121F121-G123 PolarHBondContact O-N 2.91Å; F121-G123 VanDerWaalsContact O-N 3.09Å
124K92.8Very high92.7Very high145 Ų14558 Ų5863%0.6333%0.331SS*.EExtended strand (participates in β ladder)trans-104.6138.2178.3-65.7-176.5-179.6178.80111I120 F121 A122I120-K124 CarbonylContact C-O 3.49Å; I120-K124 VanDerWaalsContact CA-O 3.28Å; I120-K124 WeakPolarHBondContact CA-O 3.5Å; I120-K124 WeakPolarHBondContact CG2-O 3.09Å; F121-K124 PolarHBondContact N-O 3.38Å; F121-K124 PolarHBondContact O-N 3.15Å; A122-K124 PolarHBondContact O-N 3.45Å
125Q92.2Very high93.1Very high86 Ų8658.5 Ų58.540%0.40233%0.33SS..EExtended strand (participates in β ladder)trans-70.5134.4168.4178.7176.6-28.600109.3R118R118-Q125 HydrophobicContact CG-CG 4.14Å; R118-Q125 VanDerWaalsContact CZ-OE1 3.28Å
126L96.2Very high93.7Very high4 Ų462 Ų622%0.02135%0.349CS..PPolyproline II helixtrans-83.9138.2178.1-56.4-173.8000110.2I99 L119 F121 Y135 I137 L143I99-L126 HydrophobicContact CB-CB 4.46Å; I99-L126 HydrophobicContact CD1-CB 3.84Å; I99-L126 HydrophobicContact CD1-CD1 3.59Å; I99-L126 HydrophobicContact CD1-CG 4.24Å; I99-L126 HydrophobicContact CG1-CB 3.84Å; I99-L126 HydrophobicContact CG2-CB 3.81Å; L119-L126 HydrophobicContact CB-CB 4.23Å; L119-L126 HydrophobicContact CB-CD1 4Å; L119-L126 HydrophobicContact CB-CG 4.33Å; L119-L126 PolarHBondContact O-N 2.94Å; F121-L126 HydrophobicContact CB-CD1 4.07Å; F121-L126 HydrophobicContact CB-CD2 3.93Å; F121-L126 HydrophobicContact CB-CG 4.27Å; L126-Y135 HydrophobicContact CB-CE2 4.23Å; L126-Y135 HydrophobicContact CD2-CD1 3.61Å; L126-Y135 HydrophobicContact CD2-CD2 3.67Å; L126-Y135 HydrophobicContact CD2-CE1 3.7Å; L126-Y135 HydrophobicContact CD2-CE2 3.72Å; L126-Y135 HydrophobicContact CD2-CG 3.59Å; L126-I137 HydrophobicContact CD1-CD1 3.86Å; L126-I137 HydrophobicContact CD2-CD1 4.49Å; L126-L143 HydrophobicContact CD1-CD2 3.57Å; L126-L143 HydrophobicContact CD1-CG 4.1Å
127E94.5Very high94.1Very high103 Ų10360.7 Ų60.748%0.48134%0.343SS..PPolyproline II helixtrans-100.1135.3-178.1-67170.3-173.700110.3I99 G129 R130 Y135I99-E127 VanDerWaalsContact CB-O 3.31Å; I99-E127 WeakPolarHBondContact CB-O 3.03Å; I99-E127 VanDerWaalsContact CG1-O 3.28Å; I99-E127 WeakPolarHBondContact CG1-O 3.32Å; E127-G129 VanDerWaalsContact C-N 3.31Å; E127-G129 PolarHBondContact O-N 3.31Å; E127-R130 HydrophobicContact CB-CG 4.34Å; E127-R130 PolarHBondContact O-N 3.01Å; E127-R130 VanDerWaalsContact O-N 3.1Å; E127-R130 IonicContact OE1-NH2 2.97Å; E127-R130 IonicContact OE2-CZ 2.68Å; E127-R130 VanDerWaalsContact OE2-CZ 3.3Å; E127-R130 IonicContact OE2-NE 2.82Å; E127-R130 PolarHBondContact OE2-NE 3.05Å; E127-R130 IonicContact OE2-NH2 3.31Å; E127-R130 PolarHBondContact OE2-NH2 3.14Å; E127-Y135 WeakPolarHBondContact CB-OH 3.31Å; E127-Y135 PolarHBondContact N-OH 3.31Å
128D91.6Very high94.1Very high68 Ų6867.2 Ų67.236%0.36437%0.374SS..THydrogen-bonded Turntrans-56.9-40.5-169.1-68.2-5.9000113.5I99 E100 K103 R130I99-D128 PolarHBondContact N-O 2.84Å; E100-D128 HydrophobicContact CB-CB 4.25Å; E100-D128 PolarHBondContact N-O 2.74Å; K103-D128 WeakPolarHBondContact CE-OD1 3.33Å; K103-D128 IonicContact NZ-OD1 2.79Å; K103-D128 PolarHBondContact NZ-OD1 3.31Å; K103-D128 IonicContact NZ-OD2 3.68Å; K103-D128 PolarHBondContact NZ-OD2 3.14Å; D128-R130 VanDerWaalsContact C-N 3.32Å; D128-R130 PolarHBondContact O-N 2.92Å
129G92.8Very high94Very high72 Ų7268.1 Ų68.174%0.74238%0.381SS*.THydrogen-bonded Turntrans-80.20.1-178.200000116.1E127E127-G129 VanDerWaalsContact C-N 3.31Å; E127-G129 PolarHBondContact O-N 3.31Å
130R96.2Very high93.8Very high109 Ų10974.1 Ų74.141%0.41141%0.408SS..SBendtrans-99156.7175.6-64.7-163.2-158.6-155.2-0.5111T98 I99 E127 D128 D134 Y135T98-R130 CarbonylContact C-O 3.58Å; T98-R130 VanDerWaalsContact CA-O 3.23Å; T98-R130 WeakPolarHBondContact CA-O 3.46Å; I99-R130 WeakPolarHBondContact CG1-O 3.32Å; I99-R130 PolarHBondContact N-O 2.72Å; E127-R130 HydrophobicContact CB-CG 4.34Å; E127-R130 PolarHBondContact O-N 3.01Å; E127-R130 VanDerWaalsContact O-N 3.1Å; E127-R130 IonicContact OE1-NH2 2.97Å; E127-R130 IonicContact OE2-CZ 2.68Å; E127-R130 VanDerWaalsContact OE2-CZ 3.3Å; E127-R130 IonicContact OE2-NE 2.82Å; E127-R130 PolarHBondContact OE2-NE 3.05Å; E127-R130 IonicContact OE2-NH2 3.31Å; E127-R130 PolarHBondContact OE2-NH2 3.14Å; D128-R130 VanDerWaalsContact C-N 3.32Å; D128-R130 PolarHBondContact O-N 2.92Å; R130-D134 HydrophobicContact CB-CB 4.21Å; R130-Y135 HydrophobicContact CB-CD2 4.3Å; R130-Y135 HydrophobicContact CB-CE2 3.58Å; R130-Y135 WeakPolarHBondContact CD-OH 3.43Å; R130-Y135 HydrophobicContact CG-CE2 4.3Å
131T95.3Very high93.8Very high28 Ų2873.4 Ų73.417%0.17241%0.407CS..BIsolated β-bridgetrans-88.7164.1176.968.20000112.5S96 D97 T98 S133 D134 Y135S96-T131 WeakPolarHBondContact O-CG2 3.47Å; D97-T131 CarbonylContact O-C 3.59Å; D97-T131 WeakPolarHBondContact O-CA 3.36Å; T98-T131 HydrophobicContact CG2-CG2 4.44Å; T131-S133 PolarHBondContact O-N 3.45Å; T131-S133 PolarHBondContact OG1-N 3.38Å; T131-S133 PolarHBondContact OG1-OG 3.18Å; T131-D134 PolarHBondContact N-OD2 3.42Å; T131-D134 WeakPolarHBondContact O-CB 3.26Å; T131-D134 PolarHBondContact O-N 3.21Å; T131-D134 PolarHBondContact OG1-N 2.93Å; T131-D134 VanDerWaalsContact OG1-N 3.16Å; T131-D134 PolarHBondContact OG1-OD2 3.32Å; T131-Y135 WeakPolarHBondContact O-CD2 3.34Å
132L94.9Very high93.8Very high0 Ų073.6 Ų73.60%041%0.411CS..THydrogen-bonded Turntrans-57.6-38.2169.5-71.5-177.7000111.8M77 I79 V93 P95 D97 I99 V102 D134 Y135 N136 I137M77-L132 HydrophobicContact CE-CD1 4.34Å; I79-L132 HydrophobicContact CD1-CD1 4.25Å; I79-L132 HydrophobicContact CD1-CD2 4.39Å; V93-L132 HydrophobicContact CB-CD1 3.56Å; V93-L132 HydrophobicContact CG1-CD1 4.1Å; V93-L132 HydrophobicContact CG2-CD1 3.42Å; V93-L132 VanDerWaalsContact CG2-CD1 3.42Å; P95-L132 PolarHBondContact O-N 2.67Å; D97-L132 HydrophobicContact CB-CD1 4.26Å; D97-L132 HydrophobicContact CB-CG 4.5Å; D97-L132 PolarHBondContact O-N 2.81Å; I99-L132 HydrophobicContact CD1-CD2 3.92Å; V102-L132 HydrophobicContact CG2-CD1 3.99Å; V102-L132 HydrophobicContact CG2-CD2 3.92Å; V102-L132 HydrophobicContact CG2-CG 4.01Å; L132-D134 PolarHBondContact O-N 2.72Å; L132-Y135 PolarHBondContact O-N 3.29Å; L132-N136 PolarHBondContact O-N 3.12Å; L132-I137 HydrophobicContact CB-CB 4.2Å; L132-I137 HydrophobicContact CD2-CB 4.11Å; L132-I137 HydrophobicContact CD2-CD1 3.49Å; L132-I137 VanDerWaalsContact CD2-CD1 3.49Å; L132-I137 HydrophobicContact CD2-CG1 4.38Å; L132-I137 HydrophobicContact CD2-CG2 4.05Å; L132-I137 WeakPolarHBondContact O-CB 3.33Å; L132-I137 PolarHBondContact O-N 3.13Å
133S93.8Very high94Very high54 Ų5469.4 Ų69.438%0.37838%0.377SS..G310 helixtrans-64.9-35.6177.772.40000113P95 T131 Y135 N136P95-S133 VanDerWaalsContact O-CB 3.25Å; P95-S133 WeakPolarHBondContact O-CB 3.33Å; P95-S133 PolarHBondContact O-N 2.86Å; P95-S133 PolarHBondContact O-OG 3.02Å; T131-S133 PolarHBondContact O-N 3.45Å; T131-S133 PolarHBondContact OG1-N 3.38Å; T131-S133 PolarHBondContact OG1-OG 3.18Å; S133-Y135 PolarHBondContact O-N 2.93Å; S133-N136 PolarHBondContact O-N 3.45Å
134D95.5Very high94.3Very high93 Ų9370.5 Ų70.550%0.49736%0.362SS..G310 helixtrans-61.6-27176.5-65.8-43.9000112.5R130 T131 L132R130-D134 HydrophobicContact CB-CB 4.21Å; T131-D134 PolarHBondContact N-OD2 3.42Å; T131-D134 WeakPolarHBondContact O-CB 3.26Å; T131-D134 PolarHBondContact O-N 3.21Å; T131-D134 PolarHBondContact OG1-N 2.93Å; T131-D134 VanDerWaalsContact OG1-N 3.16Å; T131-D134 PolarHBondContact OG1-OD2 3.32Å; L132-D134 PolarHBondContact O-N 2.72Å
135Y96.2Very high94.4Very high35 Ų3563.8 Ų63.814%0.13733%0.333CS..G310 helixtrans-96.55.6175.8-69.5-73.3000113.6I99 L126 E127 R130 T131 L132 S133 I137I99-Y135 HydrophobicContact CD1-CD2 4.28Å; I99-Y135 HydrophobicContact CD1-CE2 4.37Å; I99-Y135 HydrophobicContact CG1-CD2 4.41Å; I99-Y135 HydrophobicContact CG1-CE2 4.04Å; L126-Y135 HydrophobicContact CB-CE2 4.23Å; L126-Y135 HydrophobicContact CD2-CD1 3.61Å; L126-Y135 HydrophobicContact CD2-CD2 3.67Å; L126-Y135 HydrophobicContact CD2-CE1 3.7Å; L126-Y135 HydrophobicContact CD2-CE2 3.72Å; L126-Y135 HydrophobicContact CD2-CG 3.59Å; E127-Y135 WeakPolarHBondContact CB-OH 3.31Å; E127-Y135 PolarHBondContact N-OH 3.31Å; R130-Y135 HydrophobicContact CB-CD2 4.3Å; R130-Y135 HydrophobicContact CB-CE2 3.58Å; R130-Y135 WeakPolarHBondContact CD-OH 3.43Å; R130-Y135 HydrophobicContact CG-CE2 4.3Å; T131-Y135 WeakPolarHBondContact O-CD2 3.34Å; L132-Y135 PolarHBondContact O-N 3.29Å; S133-Y135 PolarHBondContact O-N 2.93Å; Y135-I137 PolarHBondContact O-N 2.82Å
136N94.2Very high94.3Very high128 Ų12861.4 Ų61.468%0.68432%0.324SS*.THydrogen-bonded Turntrans51.635.5-172.2-62.9-60.5000112.7L132 S133 Q138L132-N136 PolarHBondContact O-N 3.12Å; S133-N136 PolarHBondContact O-N 3.45Å; N136-Q138 PolarHBondContact O-N 3.46Å
137I94.6Very high93.8Very high5 Ų565.2 Ų65.23%0.02634%0.344CS..  trans-74.1120.7174.2-64.9166.6000106.9M77 I79 F121 L126 L132 Y135 L143M77-I137 HydrophobicContact CE-CG2 4.41Å; M77-I137 WeakPolarHBondContact CE-O 3.24Å; I79-I137 HydrophobicContact CG2-CG2 3.95Å; F121-I137 HydrophobicContact CB-CD1 4.33Å; F121-I137 HydrophobicContact CD1-CD1 4.1Å; F121-I137 HydrophobicContact CD1-CG1 3.54Å; F121-I137 HydrophobicContact CD2-CG1 4.41Å; F121-I137 HydrophobicContact CE1-CG1 3.64Å; F121-I137 HydrophobicContact CG-CD1 4.17Å; F121-I137 HydrophobicContact CG-CG1 3.95Å; F121-I137 HydrophobicContact CZ-CG1 4.14Å; L126-I137 HydrophobicContact CD1-CD1 3.86Å; L126-I137 HydrophobicContact CD2-CD1 4.49Å; L132-I137 HydrophobicContact CB-CB 4.2Å; L132-I137 HydrophobicContact CD2-CB 4.11Å; L132-I137 HydrophobicContact CD2-CD1 3.49Å; L132-I137 VanDerWaalsContact CD2-CD1 3.49Å; L132-I137 HydrophobicContact CD2-CG1 4.38Å; L132-I137 HydrophobicContact CD2-CG2 4.05Å; L132-I137 WeakPolarHBondContact O-CB 3.33Å; L132-I137 PolarHBondContact O-N 3.13Å; Y135-I137 PolarHBondContact O-N 2.82Å; I137-L143 HydrophobicContact CD1-CD1 4.19Å; I137-L143 HydrophobicContact CD1-CD2 4.35Å; I137-L143 HydrophobicContact CD1-CG 4.44Å; I137-L143 HydrophobicContact CG2-CD1 3.95Å
138Q92.1Very high93.1Very high137 Ų13763.9 Ų63.964%0.6433%0.334SS*.  trans-106.8170.6-178.1-64.4-173.2-11.800111.1N136 E140 S141N136-Q138 PolarHBondContact O-N 3.46Å; Q138-E140 PolarHBondContact O-N 3.02Å; Q138-S141 PolarHBondContact N-OG 2.69Å; Q138-S141 WeakPolarHBondContact O-CB 3.42Å; Q138-S141 PolarHBondContact O-N 3.44Å; Q138-S141 PolarHBondContact O-OG 2.97Å
139K90.2Very high92Very high120 Ų12067.9 Ų67.952%0.52236%0.355SS..THydrogen-bonded Turntrans-48.5139.2168.7-179.2170.8177.3169.90110.8M77 Q78 S141M77-K139 HydrophobicContact CG-CB 4.08Å; Q78-K139 CarbonylContact O-C 3.49Å; K139-S141 PolarHBondContact O-N 2.92Å
140E91.1Very high90.7Very high126 Ų12675 Ų7559%0.58936%0.36SS*.THydrogen-bonded Turntrans64.59.5-177.1-66.4164.6-159.100115.3Q78 F80 Q138Q78-E140 PolarHBondContact O-N 3.23Å; F80-E140 HydrophobicContact CE2-CB 4.04Å; F80-E140 HydrophobicContact CE2-CG 4.09Å; Q138-E140 PolarHBondContact O-N 3.02Å
141S96.4Very high89.1Confident21 Ų2172.2 Ų72.215%0.14736%0.364CS..  trans-62.7147.7172.1-65.80000111.7I79 F80 Q138 K139I79-S141 WeakPolarHBondContact CA-O 3.36Å; F80-S141 PolarHBondContact N-O 3.44Å; Q138-S141 PolarHBondContact N-OG 2.69Å; Q138-S141 WeakPolarHBondContact O-CB 3.42Å; Q138-S141 PolarHBondContact O-N 3.44Å; Q138-S141 PolarHBondContact O-OG 2.97Å; K139-S141 PolarHBondContact O-N 2.92Å
142T96.1Very high88Confident48 Ų4871 Ų7129%0.29436%0.358SS..EExtended strand (participates in β ladder)trans-111.4117.2176.5-57.70000111.3F80 K82 F121F80-T142 HydrophobicContact CB-CG2 4.32Å; F80-T142 CarbonylContact O-C 3.49Å; F80-T142 VanDerWaalsContact O-CA 3.27Å; F80-T142 WeakPolarHBondContact O-CA 3.48Å; K82-T142 HydrophobicContact CB-CG2 4.28Å; K82-T142 HydrophobicContact CD-CG2 3.86Å; K82-T142 HydrophobicContact CG-CG2 3.75Å; F121-T142 WeakPolarHBondContact CD2-O 3.22Å
143L97.2Very high87.7Confident0 Ų072.3 Ų72.30%036%0.364CS..EExtended strand (participates in β ladder)trans-90.8155.9169.3-74.662.4000109.3I79 F80 V81 K82 L119 F121 L126 I137I79-L143 HydrophobicContact CD1-CD1 4.05Å; I79-L143 HydrophobicContact CD1-CD2 4.19Å; F80-L143 PolarHBondContact O-N 3.31Å; V81-L143 CarbonylContact C-O 3.57Å; V81-L143 WeakPolarHBondContact CA-O 3.4Å; V81-L143 HydrophobicContact CG2-CB 4.32Å; K82-L143 PolarHBondContact N-O 3.43Å; L119-L143 HydrophobicContact CD1-CD2 4.36Å; F121-L143 HydrophobicContact CB-CG 4.31Å; F121-L143 HydrophobicContact CD2-CD1 4.13Å; F121-L143 HydrophobicContact CD2-CG 4.43Å; L126-L143 HydrophobicContact CD1-CD2 3.57Å; L126-L143 HydrophobicContact CD1-CG 4.1Å; I137-L143 HydrophobicContact CD1-CD1 4.19Å; I137-L143 HydrophobicContact CD1-CD2 4.35Å; I137-L143 HydrophobicContact CD1-CG 4.44Å; I137-L143 HydrophobicContact CG2-CD1 3.95Å
144H96.8Very high87.5Confident99 Ų9972 Ų7246%0.45836%0.356SS..EExtended strand (participates in β ladder)trans-109.4129.2172.7-64.475.7000109.3K82 L119 I120K82-H144 CarbonylContact O-C 3.6Å; K82-H144 WeakPolarHBondContact O-CA 3.04Å; L119-H144 CarbonylContact C-O 3.57Å; L119-H144 WeakPolarHBondContact CA-O 3.48Å; I120-H144 HydrophobicContact CB-CB 4.33Å; I120-H144 PolarHBondContact N-O 2.78Å; I120-H144 PolarHBondContact O-N 2.89Å
145L94.2Very high87.4Confident4 Ų467.5 Ų67.52%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-101.1121.3174.8175.462.5000109.9V81 K82 T83 I106 I112 Q117 L119 L147V81-L145 HydrophobicContact CG1-CB 3.52Å; V81-L145 HydrophobicContact CG1-CD2 4.42Å; K82-L145 PolarHBondContact O-N 3.01Å; T83-L145 HydrophobicContact CG2-CD2 4.4Å; I106-L145 HydrophobicContact CG2-CD2 4.04Å; I112-L145 HydrophobicContact CD1-CD2 4.03Å; Q117-L145 HydrophobicContact CB-CD1 3.68Å; Q117-L145 HydrophobicContact CG-CD1 3.91Å; L119-L145 HydrophobicContact CD2-CB 4.11Å; L119-L145 HydrophobicContact CD2-CD1 3.9Å; L145-L147 HydrophobicContact CD1-CD2 4.37Å; L145-L147 HydrophobicContact CD2-CD2 4.28Å; L145-L147 HydrophobicContact CG-CD2 4.21Å
146V90.2Very high87.4Confident36 Ų3668.4 Ų68.422%0.21834%0.337CS..EExtended strand (participates in β ladder)trans-113.9132.1170.2177.80000108.2L84 R118 I120L84-V146 HydrophobicContact CD1-CG1 4.14Å; L84-V146 HydrophobicContact CD1-CG2 4.32Å; L84-V146 HydrophobicContact CD2-CG2 4.15Å; L84-V146 HydrophobicContact CG-CG2 4.28Å; R118-V146 WeakPolarHBondContact CA-O 3.45Å; R118-V146 HydrophobicContact CB-CB 4.25Å; R118-V146 WeakPolarHBondContact CB-O 3.43Å; R118-V146 PolarHBondContact N-O 3.5Å; R118-V146 PolarHBondContact O-N 2.88Å; I120-V146 HydrophobicContact CD1-CG2 3.88Å
147L86.8Confident87.6Confident83 Ų8362.3 Ų62.344%0.43531%0.305SS..EExtended strand (participates in β ladder)trans-83.6131177.7-56.4-177.4000110.5I112 Q116 L145I112-L147 HydrophobicContact CD1-CD2 4.04Å; I112-L147 HydrophobicContact CG2-CD2 3.63Å; Q116-L147 CarbonylContact O-C 3.59Å; Q116-L147 WeakPolarHBondContact O-CA 3.38Å; L145-L147 HydrophobicContact CD1-CD2 4.37Å; L145-L147 HydrophobicContact CD2-CD2 4.28Å; L145-L147 HydrophobicContact CG-CD2 4.21Å
148R79.9Confident87.6Confident75 Ų7566.2 Ų66.228%0.28332%0.322SS..  trans-78.9127.7169.1-60.8-169.2-177.681.36.7108.6D115 Q116 Q117 R118D115-R148 PolarHBondContact O-NH1 2.81Å; Q116-R148 PolarHBondContact O-N 3.41Å; Q117-R148 VanDerWaalsContact C-NH1 3.28Å; Q117-R148 PolarHBondContact O-NH1 3.26Å; R118-R148 HydrophobicContact CB-CG 4.36Å
149L67.6Low87.6Confident152 Ų15261 Ų6180%0.79630%0.299SS*.SBendtrans-82.8-15.1-176.5-65.4172.4000114.6
150R65.5Low87.3Confident223 Ų22362 Ų6284%0.84231%0.309SS*.SBendtrans-148.422.3-165.3-64.5-169.3-72.4-156.8-1.6115.5
151G62.4Low87.1Confident49 Ų4962 Ų6251%0.50532%0.318SS..  trans-93-22.1-171.300000116
152G73.2Confident86.5Confident4 Ų463.6 Ų63.64%0.04134%0.338CS..SBendtrans-92.6178.9-163.300000116.2D115 Q154D115-G152 WeakPolarHBondContact OD2-CA 3.46Å; G152-Q154 PolarHBondContact O-N 2.73Å
153M88.1Confident86.3Confident26 Ų2666.1 Ų66.113%0.12835%0.345CS..EExtended strand (participates in β ladder)trans-73.8107.3166.2170.6178.8169.600108.3I155 V169 P171 I213 K215M153-I155 HydrophobicContact CE-CG2 4.26Å; M153-V169 WeakPolarHBondContact CB-O 3.46Å; M153-V169 HydrophobicContact CE-CG2 4.29Å; M153-V169 HydrophobicContact CG-CG2 4.13Å; M153-V169 WeakPolarHBondContact O-CG2 3.44Å; M153-V169 PolarHBondContact O-N 3.08Å; M153-P171 HydrophobicContact SD-CG 3.68Å; M153-I213 WeakPolarHBondContact CE-O 3.27Å; M153-K215 HydrophobicContact CG-CB 4.08Å
154Q89.1Confident86.1Confident47 Ų4769.2 Ų69.222%0.2236%0.364CS..EExtended strand (participates in β ladder)trans-92.7142.6173.8-70.9177.513.200110.3G152 T166 L167 E168 K215 E216G152-Q154 PolarHBondContact O-N 2.73Å; Q154-T166 HydrophobicContact CB-CG2 4.25Å; Q154-T166 HydrophobicContact CG-CG2 4.26Å; Q154-L167 CarbonylContact C-O 3.58Å; Q154-L167 VanDerWaalsContact CA-O 3.24Å; Q154-L167 WeakPolarHBondContact CA-O 3.25Å; Q154-E168 VanDerWaalsContact CD-OE1 3.24Å; Q154-E168 HydrophobicContact CG-CG 4.4Å; Q154-E168 WeakPolarHBondContact CG-OE1 3.17Å; Q154-E168 VanDerWaalsContact CG-OE2 3.26Å; Q154-E168 WeakPolarHBondContact CG-OE2 3.05Å; Q154-E168 PolarHBondContact NE2-OE1 3.29Å; Q154-K215 CarbonylContact O-C 3.55Å; Q154-E216 WeakPolarHBondContact O-CA 3.48Å; Q154-E216 PolarHBondContact O-N 3.23Å
155I94.3Very high85.8Confident0 Ų064.8 Ų64.80%034%0.343CS..EExtended strand (participates in β ladder)trans-124.1162164.463.9171.1000109.6M153 L167 V169 V178 L208 I213 L219M153-I155 HydrophobicContact CE-CG2 4.26Å; I155-L167 HydrophobicContact CG1-CB 4.02Å; I155-L167 PolarHBondContact N-O 3.3Å; I155-L167 PolarHBondContact O-N 3.48Å; I155-V169 HydrophobicContact CB-CG2 4.28Å; I155-V169 HydrophobicContact CD1-CG1 3.88Å; I155-V169 HydrophobicContact CD1-CG2 4.01Å; I155-V169 HydrophobicContact CG1-CG1 3.93Å; I155-V169 HydrophobicContact CG1-CG2 3.78Å; I155-V169 HydrophobicContact CG2-CG2 3.69Å; I155-V178 HydrophobicContact CD1-CG1 4.28Å; I155-L208 HydrophobicContact CD1-CD1 4.22Å; I155-L208 HydrophobicContact CD1-CD2 4.34Å; I155-I213 HydrophobicContact CG2-CG2 3.92Å; I155-L219 HydrophobicContact CD1-CD1 4.01Å; I155-L219 HydrophobicContact CD1-CD2 4.16Å
156F96.1Very high85.7Confident54 Ų5467.3 Ų67.324%0.23736%0.359CS..EExtended strand (participates in β ladder)trans-111.2140.1177.2-57.6-69.7000110.2T164 I165 T166 E216 S217 T218 L219F156-T164 HydrophobicContact CB-CG2 3.8Å; F156-T164 HydrophobicContact CD1-CG2 3.93Å; F156-T164 HydrophobicContact CG-CG2 4.17Å; F156-I165 CarbonylContact C-O 3.46Å; F156-I165 WeakPolarHBondContact CA-O 3.3Å; F156-T166 HydrophobicContact CD1-CG2 4.25Å; F156-T166 HydrophobicContact CE1-CG2 3.95Å; F156-E216 HydrophobicContact CE2-CB 3.95Å; F156-E216 HydrophobicContact CE2-CG 4.01Å; F156-S217 PolarHBondContact N-O 3.24Å; F156-T218 HydrophobicContact CB-CG2 4.32Å; F156-T218 CarbonylContact O-C 3.44Å; F156-T218 VanDerWaalsContact O-CA 3.28Å; F156-T218 WeakPolarHBondContact O-CA 3.34Å; F156-L219 PolarHBondContact O-N 2.87Å
157V96.8Very high85.8Confident0 Ų065.6 Ų65.60%035%0.349CS..EExtended strand (participates in β ladder)trans-120.5113.6174.1-178.10000108.3I165 L167 I182 L195 L219 L221V157-I165 HydrophobicContact CB-CB 4.28Å; V157-I165 PolarHBondContact N-O 3.21Å; V157-I165 PolarHBondContact O-N 3.49Å; V157-L167 HydrophobicContact CG2-CD1 3.54Å; V157-L167 HydrophobicContact CG2-CG 4.17Å; V157-I182 HydrophobicContact CG1-CD1 4.13Å; V157-I182 HydrophobicContact CG2-CD1 4.16Å; V157-L195 HydrophobicContact CG1-CD2 4.02Å; V157-L219 CarbonylContact C-O 3.51Å; V157-L219 WeakPolarHBondContact CA-O 3.35Å; V157-L219 HydrophobicContact CG2-CB 4.32Å; V157-L221 HydrophobicContact CG1-CB 3.51Å; V157-L221 HydrophobicContact CG1-CD2 4.36Å
158K96.4Very high85.8Confident87 Ų8763.3 Ų63.338%0.37834%0.336SS..EExtended strand (participates in β ladder)trans-93.9127.9178.3-75.2-172179.8-177.40111.1K163 T164 T218 L219 H220 L221K158-K163 WeakPolarHBondContact CA-O 3.26Å; K158-T164 HydrophobicContact CG-CG2 4.23Å; K158-T218 HydrophobicContact CB-CG2 4.27Å; K158-T218 HydrophobicContact CD-CG2 3.78Å; K158-T218 HydrophobicContact CG-CG2 3.71Å; K158-L219 PolarHBondContact N-O 3.28Å; K158-H220 WeakPolarHBondContact O-CA 3.31Å; K158-L221 PolarHBondContact O-N 3.37Å
159T90.6Very high86.3Confident27 Ų2759.9 Ų59.917%0.16632%0.323CS..EExtended strand (participates in β ladder)trans-81.3164.3170.869.10000110.5T161 G162 K163 I165T159-T161 PolarHBondContact O-N 2.82Å; T159-T161 PolarHBondContact OG1-N 2.85Å; T159-T161 PolarHBondContact OG1-OG1 3.23Å; T159-G162 PolarHBondContact O-N 2.77Å; T159-K163 HydrophobicContact CG2-CB 4.33Å; T159-K163 PolarHBondContact N-O 2.9Å; T159-K163 WeakPolarHBondContact OG1-CB 3.12Å; T159-K163 PolarHBondContact OG1-N 3Å; T159-K163 PolarHBondContact OG1-O 3.24Å; T159-I165 HydrophobicContact CG2-CD1 3.97Å
160L85.5Confident87.3Confident140 Ų14054.4 Ų54.473%0.73329%0.293SS*.THydrogen-bonded Turntrans-61.6-21.3173.1-67.4176.1000113.7G162 V222L160-G162 VanDerWaalsContact C-N 3.25Å; L160-G162 PolarHBondContact O-N 3.21Å; L160-V222 HydrophobicContact CD1-CG1 4.25Å; L160-V222 HydrophobicContact CD1-CG2 4.44Å; L160-V222 HydrophobicContact CD2-CG2 4.22Å; L160-V222 HydrophobicContact CG-CG2 4.39Å
161T85.2Confident88.5Confident127 Ų12747 Ų4778%0.77927%0.274SS*.THydrogen-bonded Turntrans-80.9-5.1175.859.70000113T159T159-T161 PolarHBondContact O-N 2.82Å; T159-T161 PolarHBondContact OG1-N 2.85Å; T159-T161 PolarHBondContact OG1-OG1 3.23Å
162G85.1Confident89.8Confident54 Ų5448.2 Ų48.256%0.55728%0.275SS*.SBendtrans89.2-3.2-177.700000114.6T159 L160 T164T159-G162 PolarHBondContact O-N 2.77Å; L160-G162 VanDerWaalsContact C-N 3.25Å; L160-G162 PolarHBondContact O-N 3.21Å; G162-T164 PolarHBondContact O-N 3.21Å
163K91.4Very high90.7Very high101 Ų10148.6 Ų48.644%0.43928%0.276SS..  trans-63.2135.8172.6-175.5-178.8173.8-172.10109.3K158 T159 E186K158-K163 WeakPolarHBondContact CA-O 3.26Å; T159-K163 HydrophobicContact CG2-CB 4.33Å; T159-K163 PolarHBondContact N-O 2.9Å; T159-K163 WeakPolarHBondContact OG1-CB 3.12Å; T159-K163 PolarHBondContact OG1-N 3Å; T159-K163 PolarHBondContact OG1-O 3.24Å; K163-E186 WeakPolarHBondContact CE-OE1 3.41Å; K163-E186 IonicContact NZ-OE1 2.8Å; K163-E186 PolarHBondContact NZ-OE1 3.14Å; K163-E186 IonicContact NZ-OE2 2.63Å; K163-E186 PolarHBondContact NZ-OE2 3.38Å
164T92.8Very high91.1Very high65 Ų6549 Ų4940%0.39928%0.28SS..EExtended strand (participates in β ladder)trans-110.6122.8176.2-560000109.3F156 K158 G162F156-T164 HydrophobicContact CB-CG2 3.8Å; F156-T164 HydrophobicContact CD1-CG2 3.93Å; F156-T164 HydrophobicContact CG-CG2 4.17Å; K158-T164 HydrophobicContact CG-CG2 4.23Å; G162-T164 PolarHBondContact O-N 3.21Å
165I91.7Very high91.4Very high6 Ų646.8 Ų46.83%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-102.9125.7177.9-55.9151.2000107.4F156 V157 T159 L167 K185 E186F156-I165 CarbonylContact C-O 3.46Å; F156-I165 WeakPolarHBondContact CA-O 3.3Å; V157-I165 HydrophobicContact CB-CB 4.28Å; V157-I165 PolarHBondContact N-O 3.21Å; V157-I165 PolarHBondContact O-N 3.49Å; T159-I165 HydrophobicContact CG2-CD1 3.97Å; I165-L167 HydrophobicContact CG2-CD2 3.95Å; I165-L167 HydrophobicContact CG2-CG 4.39Å; I165-K185 HydrophobicContact CG2-CD 4.34Å; I165-E186 HydrophobicContact CD1-CG 3.64Å; I165-E186 HydrophobicContact CG1-CG 4.01Å; I165-E186 HydrophobicContact CG2-CG 4.36Å
166T92Very high91.5Very high57 Ų5752.3 Ų52.335%0.3530%0.296SS..EExtended strand (participates in β ladder)trans-90.5128.2174.8-51.60000109.3Q154 F156 K185Q154-T166 HydrophobicContact CB-CG2 4.25Å; Q154-T166 HydrophobicContact CG-CG2 4.26Å; F156-T166 HydrophobicContact CD1-CG2 4.25Å; F156-T166 HydrophobicContact CE1-CG2 3.95Å; T166-K185 PolarHBondContact O-NZ 3.26Å
167L90.6Very high91.3Very high1 Ų153.1 Ų53.11%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-119.1141.8176-59.7178.4000110.2Q154 I155 V157 I165 V169 V178 K181 I182 K185Q154-L167 CarbonylContact C-O 3.58Å; Q154-L167 VanDerWaalsContact CA-O 3.24Å; Q154-L167 WeakPolarHBondContact CA-O 3.25Å; I155-L167 HydrophobicContact CG1-CB 4.02Å; I155-L167 PolarHBondContact N-O 3.3Å; I155-L167 PolarHBondContact O-N 3.48Å; V157-L167 HydrophobicContact CG2-CD1 3.54Å; V157-L167 HydrophobicContact CG2-CG 4.17Å; I165-L167 HydrophobicContact CG2-CD2 3.95Å; I165-L167 HydrophobicContact CG2-CG 4.39Å; L167-V169 HydrophobicContact CB-CG1 4.03Å; L167-V178 HydrophobicContact CD1-CG1 3.85Å; L167-K181 HydrophobicContact CD2-CB 4.33Å; L167-I182 HydrophobicContact CD1-CD1 4.03Å; L167-I182 HydrophobicContact CD1-CG1 3.51Å; L167-I182 HydrophobicContact CD2-CG1 4.31Å; L167-I182 HydrophobicContact CG-CG1 4.46Å; L167-K185 HydrophobicContact CD2-CD 3.82Å
168E88.2Confident91.3Very high34 Ų3453.1 Ų53.116%0.15930%0.302CS..EExtended strand (participates in β ladder)trans-96.2123.4168.9-63.8-75.3174.500108.2Q154 K181Q154-E168 VanDerWaalsContact CD-OE1 3.24Å; Q154-E168 HydrophobicContact CG-CG 4.4Å; Q154-E168 WeakPolarHBondContact CG-OE1 3.17Å; Q154-E168 VanDerWaalsContact CG-OE2 3.26Å; Q154-E168 WeakPolarHBondContact CG-OE2 3.05Å; Q154-E168 PolarHBondContact NE2-OE1 3.29Å; E168-K181 PolarHBondContact O-NZ 2.94Å
169V90.5Very high91.2Very high3 Ų349.2 Ų49.22%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-140.9162.5-170.2-61.80000110.5M153 I155 L167 D173 V178 K181 L208M153-V169 WeakPolarHBondContact CB-O 3.46Å; M153-V169 HydrophobicContact CE-CG2 4.29Å; M153-V169 HydrophobicContact CG-CG2 4.13Å; M153-V169 WeakPolarHBondContact O-CG2 3.44Å; M153-V169 PolarHBondContact O-N 3.08Å; I155-V169 HydrophobicContact CB-CG2 4.28Å; I155-V169 HydrophobicContact CD1-CG1 3.88Å; I155-V169 HydrophobicContact CD1-CG2 4.01Å; I155-V169 HydrophobicContact CG1-CG1 3.93Å; I155-V169 HydrophobicContact CG1-CG2 3.78Å; I155-V169 HydrophobicContact CG2-CG2 3.69Å; L167-V169 HydrophobicContact CB-CG1 4.03Å; V169-D173 VanDerWaalsContact CA-OD2 3.29Å; V169-D173 WeakPolarHBondContact CA-OD2 3.09Å; V169-V178 HydrophobicContact CG1-CG2 4.28Å; V169-K181 HydrophobicContact CG1-CD 4.14Å; V169-L208 HydrophobicContact CB-CD1 3.54Å; V169-L208 HydrophobicContact CG1-CD1 4.06Å; V169-L208 HydrophobicContact CG2-CD1 3.44Å; V169-L208 VanDerWaalsContact CG2-CD1 3.44Å
170E88.1Confident91.3Very high37 Ų3749.6 Ų49.617%0.17329%0.291CS..  trans-112.4153169.6-66.3-178.115900110.3P114 S172 D173P114-E170 WeakPolarHBondContact CD-OE1 3.3Å; E170-S172 PolarHBondContact O-N 2.92Å; E170-S172 VanDerWaalsContact O-N 3.11Å; E170-D173 PolarHBondContact N-OD2 2.75Å; E170-D173 VanDerWaalsContact O-CB 3.32Å; E170-D173 WeakPolarHBondContact O-CB 3.45Å; E170-D173 PolarHBondContact O-N 3.3Å
171P91Very high91.6Very high67 Ų6745 Ų4544%0.43527%0.265SS..THydrogen-bonded Turntrans-55.6-29.9176.3-24.732.8000113.8M153 S209M153-P171 HydrophobicContact SD-CG 3.68Å; P171-S209 WeakPolarHBondContact O-CB 3.43Å; P171-S209 PolarHBondContact O-N 3.43Å; P171-S209 PolarHBondContact O-OG 3.36Å
172S89.6Confident92Very high76 Ų7638.9 Ų38.953%0.53123%0.228SC..THydrogen-bonded Turntrans-77.4-13176.343.80000114.3E170 T174 T207E170-S172 PolarHBondContact O-N 2.92Å; E170-S172 VanDerWaalsContact O-N 3.11Å; S172-T174 PolarHBondContact O-N 2.84Å; S172-T207 WeakPolarHBondContact O-CG2 3.22Å
173D92.3Very high92.3Very high11 Ų1138.7 Ų38.76%0.05921%0.212CC..  trans-59.5130.1179.4-87.8-35.2000110.2V169 E170 N177 V178 K181 T207 L208V169-D173 VanDerWaalsContact CA-OD2 3.29Å; V169-D173 WeakPolarHBondContact CA-OD2 3.09Å; E170-D173 PolarHBondContact N-OD2 2.75Å; E170-D173 VanDerWaalsContact O-CB 3.32Å; E170-D173 WeakPolarHBondContact O-CB 3.45Å; E170-D173 PolarHBondContact O-N 3.3Å; D173-N177 HydrophobicContact CB-CB 4.23Å; D173-N177 PolarHBondContact OD1-ND2 2.74Å; D173-V178 HydrophobicContact CB-CG2 4.35Å; D173-K181 VanDerWaalsContact OD2-CE 3.26Å; D173-K181 WeakPolarHBondContact OD2-CE 3.27Å; D173-K181 IonicContact OD2-NZ 2.82Å; D173-T207 CarbonylContact O-C 3.6Å; D173-T207 WeakPolarHBondContact O-CA 3.44Å; D173-L208 HydrophobicContact CB-CD1 4.24Å; D173-L208 HydrophobicContact CB-CG 4.49Å; D173-L208 PolarHBondContact O-N 2.72Å
174T95.5Very high92.1Very high35 Ų3540.2 Ų40.222%0.21523%0.225CC..BIsolated β-bridgetrans-70.4158.7170.565.30000110.5S172 E176 N177 V178 R206 T207S172-T174 PolarHBondContact O-N 2.84Å; T174-E176 PolarHBondContact O-N 2.85Å; T174-N177 WeakPolarHBondContact O-CB 3.39Å; T174-N177 PolarHBondContact O-N 3.23Å; T174-N177 PolarHBondContact OG1-N 3.01Å; T174-N177 VanDerWaalsContact OG1-N 3.1Å; T174-N177 PolarHBondContact OG1-OD1 2.86Å; T174-N177 VanDerWaalsContact OG1-OD1 3.1Å; T174-V178 WeakPolarHBondContact O-CG2 3.38Å; T174-V178 PolarHBondContact O-N 3.45Å; T174-R206 CarbonylContact C-O 3.53Å; T174-R206 VanDerWaalsContact CA-O 3.25Å; T174-R206 WeakPolarHBondContact CA-O 3.26Å; T174-T207 HydrophobicContact CG2-CG2 4.43Å
175I96.6Very high91.9Very high0 Ų042.8 Ų42.80%023%0.231CC..Hα-helixtrans-62.9-30.9174.2-61.7-58.4000111V178 K179 L195 L202 E203 D204 R206 L208 Y211I175-V178 PolarHBondContact O-N 2.77Å; I175-K179 VanDerWaalsContact O-CG 3.3Å; I175-K179 WeakPolarHBondContact O-CG 3.47Å; I175-K179 PolarHBondContact O-N 3.17Å; I175-L195 HydrophobicContact CG2-CD1 4.21Å; I175-L202 HydrophobicContact CB-CB 4.5Å; I175-L202 HydrophobicContact CD1-CB 3.89Å; I175-L202 HydrophobicContact CD1-CD1 3.58Å; I175-L202 HydrophobicContact CD1-CG 4.26Å; I175-L202 HydrophobicContact CG1-CB 3.88Å; I175-L202 HydrophobicContact CG2-CB 3.85Å; I175-E203 WeakPolarHBondContact CB-O 3.47Å; I175-E203 VanDerWaalsContact CG1-O 3.32Å; I175-E203 WeakPolarHBondContact CG1-O 3.47Å; I175-D204 PolarHBondContact N-O 2.92Å; I175-R206 WeakPolarHBondContact CG1-O 3.08Å; I175-R206 PolarHBondContact N-O 2.88Å; I175-L208 HydrophobicContact CD1-CD2 3.9Å; I175-Y211 HydrophobicContact CD1-CD2 4.3Å; I175-Y211 HydrophobicContact CD1-CE2 4.35Å; I175-Y211 HydrophobicContact CG1-CD2 4.41Å; I175-Y211 HydrophobicContact CG1-CE2 4Å
176E94.8Very high91.8Very high117 Ų11745.5 Ų45.555%0.54724%0.244SC..Hα-helixtrans-59.8-46.4169.1-169.7172.6-164.700112.2T174 V178 K179 A180 D204T174-E176 PolarHBondContact O-N 2.85Å; E176-V178 VanDerWaalsContact C-N 3.3Å; E176-V178 PolarHBondContact O-N 2.92Å; E176-K179 WeakPolarHBondContact O-CB 3.24Å; E176-K179 PolarHBondContact O-N 3.31Å; E176-K179 VanDerWaalsContact O-N 3.14Å; E176-A180 PolarHBondContact O-N 3.19Å; E176-D204 HydrophobicContact CB-CB 4.26Å; E176-D204 PolarHBondContact N-O 3.24Å
177N93.3Very high91.5Very high70 Ų7045.5 Ų45.537%0.37426%0.255SS..Hα-helixtrans-59.2-42.6174.7-65.4-4.2000111.5D173 T174 K179 A180 K181D173-N177 HydrophobicContact CB-CB 4.23Å; D173-N177 PolarHBondContact OD1-ND2 2.74Å; T174-N177 WeakPolarHBondContact O-CB 3.39Å; T174-N177 PolarHBondContact O-N 3.23Å; T174-N177 PolarHBondContact OG1-N 3.01Å; T174-N177 VanDerWaalsContact OG1-N 3.1Å; T174-N177 PolarHBondContact OG1-OD1 2.86Å; T174-N177 VanDerWaalsContact OG1-OD1 3.1Å; N177-K179 VanDerWaalsContact C-N 3.3Å; N177-K179 PolarHBondContact O-N 3.08Å; N177-A180 PolarHBondContact O-N 3.14Å; N177-K181 WeakPolarHBondContact O-CG 3.47Å; N177-K181 PolarHBondContact O-N 3.13Å
178V95.3Very high91.4Very high0 Ų046.7 Ų46.70%026%0.261CS..Hα-helixtrans-62.7-40.5177.7178.10000110.8I155 L167 V169 D173 T174 I175 E176 K181 I182 L195 L208I155-V178 HydrophobicContact CD1-CG1 4.28Å; L167-V178 HydrophobicContact CD1-CG1 3.85Å; V169-V178 HydrophobicContact CG1-CG2 4.28Å; D173-V178 HydrophobicContact CB-CG2 4.35Å; T174-V178 WeakPolarHBondContact O-CG2 3.38Å; T174-V178 PolarHBondContact O-N 3.45Å; I175-V178 PolarHBondContact O-N 2.77Å; E176-V178 VanDerWaalsContact C-N 3.3Å; E176-V178 PolarHBondContact O-N 2.92Å; V178-K181 WeakPolarHBondContact O-CB 3.46Å; V178-K181 PolarHBondContact O-N 3.44Å; V178-I182 HydrophobicContact CG1-CD1 4.26Å; V178-I182 WeakPolarHBondContact O-CG1 3.4Å; V178-I182 PolarHBondContact O-N 3.23Å; V178-L195 HydrophobicContact CB-CD1 4.31Å; V178-L195 HydrophobicContact CG1-CD1 3.77Å; V178-L208 HydrophobicContact CG2-CD1 3.94Å; V178-L208 HydrophobicContact CG2-CD2 3.92Å; V178-L208 HydrophobicContact CG2-CG 3.97Å
179K95.5Very high91.3Very high5 Ų545.5 Ų45.52%0.02226%0.256CS..Hα-helixtrans-65.7-42.6175.9-71.9170.1165-165.90112.3I175 E176 N177 K181 I182 Q183 P190 Q193 L195 D204I175-K179 VanDerWaalsContact O-CG 3.3Å; I175-K179 WeakPolarHBondContact O-CG 3.47Å; I175-K179 PolarHBondContact O-N 3.17Å; E176-K179 WeakPolarHBondContact O-CB 3.24Å; E176-K179 PolarHBondContact O-N 3.31Å; E176-K179 VanDerWaalsContact O-N 3.14Å; N177-K179 VanDerWaalsContact C-N 3.3Å; N177-K179 PolarHBondContact O-N 3.08Å; K179-K181 VanDerWaalsContact C-N 3.3Å; K179-K181 PolarHBondContact O-N 3.31Å; K179-I182 WeakPolarHBondContact O-CB 3.47Å; K179-I182 PolarHBondContact O-N 2.88Å; K179-I182 VanDerWaalsContact O-N 3.09Å; K179-Q183 PolarHBondContact O-N 3.31Å; K179-P190 HydrophobicContact CB-CB 3.78Å; K179-P190 HydrophobicContact CB-CG 4.24Å; K179-P190 HydrophobicContact CD-CB 4.13Å; K179-P190 WeakPolarHBondContact CD-O 3.48Å; K179-P190 WeakPolarHBondContact CE-O 3.47Å; K179-P190 PolarHBondContact NZ-O 3.13Å; K179-P190 VanDerWaalsContact NZ-O 3.13Å; K179-Q193 HydrophobicContact CD-CB 4.36Å; K179-Q193 WeakPolarHBondContact CE-O 3.45Å; K179-Q193 HydrophobicContact CG-CB 3.99Å; K179-Q193 PolarHBondContact NZ-O 2.91Å; K179-Q193 PolarHBondContact O-NE2 3.44Å; K179-Q193 PolarHBondContact O-OE1 3.34Å; K179-L195 HydrophobicContact CG-CD1 3.93Å; K179-L195 HydrophobicContact CG-CG 4.48Å; K179-D204 WeakPolarHBondContact CE-OD1 3.35Å; K179-D204 IonicContact NZ-OD1 2.65Å; K179-D204 PolarHBondContact NZ-OD1 3.27Å; K179-D204 IonicContact NZ-OD2 3.37Å; K179-D204 PolarHBondContact NZ-OD2 2.91Å
180A91.8Very high91.2Very high35 Ų3546.5 Ų46.529%0.28926%0.263SS..Hα-helixtrans-57.7-45.2173.300000110.8E176 N177 I182 Q183 D184E176-A180 PolarHBondContact O-N 3.19Å; N177-A180 PolarHBondContact O-N 3.14Å; A180-I182 VanDerWaalsContact C-N 3.26Å; A180-I182 PolarHBondContact O-N 3.31Å; A180-Q183 WeakPolarHBondContact O-CA 3.45Å; A180-Q183 VanDerWaalsContact O-CB 3.32Å; A180-Q183 WeakPolarHBondContact O-CB 3.3Å; A180-Q183 PolarHBondContact O-N 3.37Å; A180-D184 VanDerWaalsContact O-CG 3.3Å; A180-D184 PolarHBondContact O-N 3.41Å
181K92.6Very high91Very high43 Ų4347.2 Ų47.219%0.18727%0.268CS..Hα-helixtrans-60.2-32.9174.9-69167.4-174-89.10113.3L167 E168 V169 D173 N177 V178 K179 K185L167-K181 HydrophobicContact CD2-CB 4.33Å; E168-K181 PolarHBondContact O-NZ 2.94Å; V169-K181 HydrophobicContact CG1-CD 4.14Å; D173-K181 VanDerWaalsContact OD2-CE 3.26Å; D173-K181 WeakPolarHBondContact OD2-CE 3.27Å; D173-K181 IonicContact OD2-NZ 2.82Å; N177-K181 WeakPolarHBondContact O-CG 3.47Å; N177-K181 PolarHBondContact O-N 3.13Å; V178-K181 WeakPolarHBondContact O-CB 3.46Å; V178-K181 PolarHBondContact O-N 3.44Å; K179-K181 VanDerWaalsContact C-N 3.3Å; K179-K181 PolarHBondContact O-N 3.31Å; K181-K185 WeakPolarHBondContact O-CG 3.48Å; K181-K185 PolarHBondContact O-N 3.06Å
182I93.7Very high90.8Very high0 Ų045.7 Ų45.70%026%0.255CS..Hα-helixtrans-72.4-41.2173.7-66.9162.4000110.5V157 L167 V178 K179 A180 D184 K185 E186 I188 Q193 L195 L221V157-I182 HydrophobicContact CG1-CD1 4.13Å; V157-I182 HydrophobicContact CG2-CD1 4.16Å; L167-I182 HydrophobicContact CD1-CD1 4.03Å; L167-I182 HydrophobicContact CD1-CG1 3.51Å; L167-I182 HydrophobicContact CD2-CG1 4.31Å; L167-I182 HydrophobicContact CG-CG1 4.46Å; V178-I182 HydrophobicContact CG1-CD1 4.26Å; V178-I182 WeakPolarHBondContact O-CG1 3.4Å; V178-I182 PolarHBondContact O-N 3.23Å; K179-I182 WeakPolarHBondContact O-CB 3.47Å; K179-I182 PolarHBondContact O-N 2.88Å; K179-I182 VanDerWaalsContact O-N 3.09Å; A180-I182 VanDerWaalsContact C-N 3.26Å; A180-I182 PolarHBondContact O-N 3.31Å; I182-D184 VanDerWaalsContact C-N 3.31Å; I182-D184 PolarHBondContact O-N 3.14Å; I182-K185 PolarHBondContact O-N 3.01Å; I182-E186 HydrophobicContact CG2-CB 4.44Å; I182-E186 WeakPolarHBondContact O-CB 3.47Å; I182-E186 PolarHBondContact O-N 2.91Å; I182-I188 HydrophobicContact CG2-CD1 4.42Å; I182-Q193 VanDerWaalsContact CB-OE1 3.27Å; I182-Q193 HydrophobicContact CG2-CG 4.5Å; I182-L195 HydrophobicContact CD1-CD1 4.01Å; I182-L195 HydrophobicContact CD1-CD2 3.73Å; I182-L195 HydrophobicContact CD1-CG 4.37Å; I182-L221 HydrophobicContact CG2-CD2 4.03Å
183Q91.4Very high90.9Very high49 Ų4942.1 Ų42.123%0.22923%0.23CC..Hα-helixtrans-58.6-46.1174.9-175.8-17817.900110.4K179 A180 K185 G187 I188 P190 E246K179-Q183 PolarHBondContact O-N 3.31Å; A180-Q183 WeakPolarHBondContact O-CA 3.45Å; A180-Q183 VanDerWaalsContact O-CB 3.32Å; A180-Q183 WeakPolarHBondContact O-CB 3.3Å; A180-Q183 PolarHBondContact O-N 3.37Å; Q183-K185 PolarHBondContact O-N 2.8Å; Q183-G187 WeakPolarHBondContact O-CA 3.4Å; Q183-G187 PolarHBondContact O-N 3.08Å; Q183-I188 VanDerWaalsContact CA-O 3.25Å; Q183-I188 WeakPolarHBondContact CA-O 3.26Å; Q183-I188 WeakPolarHBondContact CB-O 3.22Å; Q183-I188 WeakPolarHBondContact CG-O 3.43Å; Q183-P190 VanDerWaalsContact CD-CD 3.48Å; Q183-E246 PolarHBondContact NE2-OE2 3.39Å
184D86.2Confident90.9Very high133 Ų13346 Ų4671%0.71124%0.244SC*.Hα-helixtrans-61.3-34.1179.2-65.8-25.2000112.5A180 I182A180-D184 VanDerWaalsContact O-CG 3.3Å; A180-D184 PolarHBondContact O-N 3.41Å; I182-D184 VanDerWaalsContact C-N 3.31Å; I182-D184 PolarHBondContact O-N 3.14Å
185K89.5Confident90.9Very high119 Ų11944.4 Ų44.452%0.51723%0.234SC..Hα-helixtrans-87.6-36-179-73.1-160.3-175.7-165.30114.6I165 T166 L167 K181 I182 Q183I165-K185 HydrophobicContact CG2-CD 4.34Å; T166-K185 PolarHBondContact O-NZ 3.26Å; L167-K185 HydrophobicContact CD2-CD 3.82Å; K181-K185 WeakPolarHBondContact O-CG 3.48Å; K181-K185 PolarHBondContact O-N 3.06Å; I182-K185 PolarHBondContact O-N 3.01Å; Q183-K185 PolarHBondContact O-N 2.8Å
186E90.1Very high90.9Very high64 Ų6446.5 Ų46.530%0.29924%0.244SC..Hα-helixtrans-122-3.8-167.6-62.3-72.914300112.9K163 I165 I182 I188K163-E186 WeakPolarHBondContact CE-OE1 3.41Å; K163-E186 IonicContact NZ-OE1 2.8Å; K163-E186 PolarHBondContact NZ-OE1 3.14Å; K163-E186 IonicContact NZ-OE2 2.63Å; K163-E186 PolarHBondContact NZ-OE2 3.38Å; I165-E186 HydrophobicContact CD1-CG 3.64Å; I165-E186 HydrophobicContact CG1-CG 4.01Å; I165-E186 HydrophobicContact CG2-CG 4.36Å; I182-E186 HydrophobicContact CG2-CB 4.44Å; I182-E186 WeakPolarHBondContact O-CB 3.47Å; I182-E186 PolarHBondContact O-N 2.91Å; E186-I188 HydrophobicContact CB-CD1 3.76Å; E186-I188 HydrophobicContact CB-CG1 4.1Å; E186-I188 PolarHBondContact O-N 2.99Å
187G85.7Confident91Very high57 Ų5743.1 Ų43.159%0.58823%0.228SC*.  trans71.810.9-179.600000114.7Q183 P189Q183-G187 WeakPolarHBondContact O-CA 3.4Å; Q183-G187 PolarHBondContact O-N 3.08Å; G187-P189 WeakPolarHBondContact O-CD 3.27Å
188I87.3Confident91Very high26 Ų2643.9 Ų43.913%0.13324%0.244CC..  trans-88.9118.2-175.4-57.8159.3000109.7I182 Q183 E186 Q192 Q193 L221 L223I182-I188 HydrophobicContact CG2-CD1 4.42Å; Q183-I188 VanDerWaalsContact CA-O 3.25Å; Q183-I188 WeakPolarHBondContact CA-O 3.26Å; Q183-I188 WeakPolarHBondContact CB-O 3.22Å; Q183-I188 WeakPolarHBondContact CG-O 3.43Å; E186-I188 HydrophobicContact CB-CD1 3.76Å; E186-I188 HydrophobicContact CB-CG1 4.1Å; E186-I188 PolarHBondContact O-N 2.99Å; I188-Q192 HydrophobicContact CG2-CB 4.19Å; I188-Q193 HydrophobicContact CB-CG 4.33Å; I188-Q193 HydrophobicContact CG2-CG 3.62Å; I188-Q193 PolarHBondContact O-NE2 3.05Å; I188-L221 HydrophobicContact CD1-CD2 4.01Å; I188-L223 HydrophobicContact CD1-CD2 4.02Å; I188-L223 HydrophobicContact CG1-CD2 4.42Å; I188-L223 HydrophobicContact CG2-CD2 3.58Å
189P86.5Confident90.7Very high8 Ų847.5 Ų47.55%0.05228%0.281CS..  trans-59.4140.8178.5-28.538.6000114.2G187 D191 Q192 Q193G187-P189 WeakPolarHBondContact O-CD 3.27Å; P189-D191 VanDerWaalsContact C-N 3.27Å; P189-D191 WeakPolarHBondContact CB-OD1 3.29Å; P189-D191 PolarHBondContact O-N 2.91Å; P189-Q192 HydrophobicContact CB-CG 4.36Å; P189-Q192 WeakPolarHBondContact O-CB 3.35Å; P189-Q192 PolarHBondContact O-N 3.31Å; P189-Q193 WeakPolarHBondContact O-CG 3.39Å; P189-Q193 PolarHBondContact O-N 3.3Å
190P88.8Confident90.6Very high24 Ų2454.3 Ų54.316%0.15631%0.311CS..THydrogen-bonded Turntrans-54.8-32.6-176.7-32.237.4000116.1K179 Q183 Q192 Q193 E246K179-P190 HydrophobicContact CB-CB 3.78Å; K179-P190 HydrophobicContact CB-CG 4.24Å; K179-P190 HydrophobicContact CD-CB 4.13Å; K179-P190 WeakPolarHBondContact CD-O 3.48Å; K179-P190 WeakPolarHBondContact CE-O 3.47Å; K179-P190 PolarHBondContact NZ-O 3.13Å; K179-P190 VanDerWaalsContact NZ-O 3.13Å; Q183-P190 VanDerWaalsContact CD-CD 3.48Å; P190-Q192 VanDerWaalsContact C-N 3.34Å; P190-Q193 PolarHBondContact O-N 3.32Å; P190-E246 WeakPolarHBondContact CD-OE1 3.26Å
191D83.6Confident90.7Very high53 Ų5357 Ų5728%0.28332%0.317SS..THydrogen-bonded Turntrans-69.4-31177.762.5-14.1000112.7P189 Q193 R224 G228P189-D191 VanDerWaalsContact C-N 3.27Å; P189-D191 WeakPolarHBondContact CB-OD1 3.29Å; P189-D191 PolarHBondContact O-N 2.91Å; D191-Q193 VanDerWaalsContact C-N 3.29Å; D191-R224 PolarHBondContact O-NH1 2.89Å; D191-R224 VanDerWaalsContact O-NH1 3.16Å; D191-G228 WeakPolarHBondContact OD2-CA 3.04Å
192Q87.2Confident90.8Very high35 Ų3555.1 Ų55.116%0.16431%0.309CS..THydrogen-bonded Turntrans-76.1-18.1172-62.4-175.77.400112.7I188 P189 P190 L223 R224 E244I188-Q192 HydrophobicContact CG2-CB 4.19Å; P189-Q192 HydrophobicContact CB-CG 4.36Å; P189-Q192 WeakPolarHBondContact O-CB 3.35Å; P189-Q192 PolarHBondContact O-N 3.31Å; P190-Q192 VanDerWaalsContact C-N 3.34Å; Q192-L223 CarbonylContact O-C 3.58Å; Q192-L223 WeakPolarHBondContact O-CA 3.38Å; Q192-R224 PolarHBondContact O-N 3.12Å; Q192-E244 VanDerWaalsContact NE2-CG 3.31Å
193Q92.1Very high90.9Very high0 Ų060 Ų600%033%0.332CS..EExtended strand (participates in β ladder)trans-85.6119.3-177.2-62.2179.839.400112.1K179 I182 I188 P189 P190 D191 L221 R224K179-Q193 HydrophobicContact CD-CB 4.36Å; K179-Q193 WeakPolarHBondContact CE-O 3.45Å; K179-Q193 HydrophobicContact CG-CB 3.99Å; K179-Q193 PolarHBondContact NZ-O 2.91Å; K179-Q193 PolarHBondContact O-NE2 3.44Å; K179-Q193 PolarHBondContact O-OE1 3.34Å; I182-Q193 VanDerWaalsContact CB-OE1 3.27Å; I182-Q193 HydrophobicContact CG2-CG 4.5Å; I188-Q193 HydrophobicContact CB-CG 4.33Å; I188-Q193 HydrophobicContact CG2-CG 3.62Å; I188-Q193 PolarHBondContact O-NE2 3.05Å; P189-Q193 WeakPolarHBondContact O-CG 3.39Å; P189-Q193 PolarHBondContact O-N 3.3Å; P190-Q193 PolarHBondContact O-N 3.32Å; D191-Q193 VanDerWaalsContact C-N 3.29Å; Q193-L221 HydrophobicContact CB-CD1 3.68Å; Q193-L221 HydrophobicContact CG-CD1 3.9Å; Q193-R224 VanDerWaalsContact C-NH1 3.27Å; Q193-R224 PolarHBondContact O-NH1 2.91Å
194R92.4Very high90.9Very high94 Ų9460.7 Ų60.736%0.35534%0.338SS..EExtended strand (participates in β ladder)trans-107.2104.3165.2-179.8-179.5-92.6168.9-2.8109I196 Q201 V222 R224R194-I196 HydrophobicContact CG-CD1 4.39Å; R194-I196 HydrophobicContact CG-CG1 4.13Å; R194-Q201 HydrophobicContact CG-CG 4.03Å; R194-V222 WeakPolarHBondContact CA-O 3.38Å; R194-V222 HydrophobicContact CB-CB 4.19Å; R194-V222 VanDerWaalsContact CB-O 3.26Å; R194-V222 WeakPolarHBondContact CB-O 3.37Å; R194-V222 PolarHBondContact N-O 2.93Å; R194-V222 PolarHBondContact O-N 2.86Å; R194-R224 HydrophobicContact CB-CG 4.3Å
195L95.6Very high91.3Very high1 Ų157.9 Ų57.91%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-86.5134.3173.2-64.6177.1000110.6V157 I175 V178 K179 I182 L202 L219 H220 L221V157-L195 HydrophobicContact CG1-CD2 4.02Å; I175-L195 HydrophobicContact CG2-CD1 4.21Å; V178-L195 HydrophobicContact CB-CD1 4.31Å; V178-L195 HydrophobicContact CG1-CD1 3.77Å; K179-L195 HydrophobicContact CG-CD1 3.93Å; K179-L195 HydrophobicContact CG-CG 4.48Å; I182-L195 HydrophobicContact CD1-CD1 4.01Å; I182-L195 HydrophobicContact CD1-CD2 3.73Å; I182-L195 HydrophobicContact CD1-CG 4.37Å; L195-L202 HydrophobicContact CB-CB 4.27Å; L195-L202 HydrophobicContact CB-CD1 4.04Å; L195-L202 HydrophobicContact CB-CG 4.37Å; L195-L202 PolarHBondContact O-N 3.01Å; L195-L219 HydrophobicContact CD1-CD2 4.31Å; L195-H220 CarbonylContact C-O 3.48Å; L195-H220 WeakPolarHBondContact CA-O 3.29Å; L195-L221 HydrophobicContact CD2-CB 4.11Å; L195-L221 HydrophobicContact CD2-CD1 3.86Å
196I96.1Very high91.6Very high43 Ų4357.6 Ų57.622%0.22134%0.336CS..EExtended strand (participates in β ladder)trans-129.1131.6-179.2-57172.1000108.4R194 K200 H220 V222R194-I196 HydrophobicContact CG-CD1 4.39Å; R194-I196 HydrophobicContact CG-CG1 4.13Å; I196-K200 CarbonylContact C-O 3.54Å; I196-K200 VanDerWaalsContact CA-O 3.28Å; I196-K200 WeakPolarHBondContact CA-O 3.42Å; I196-K200 WeakPolarHBondContact CG2-O 3.37Å; I196-H220 HydrophobicContact CB-CB 4.33Å; I196-H220 PolarHBondContact N-O 2.81Å; I196-H220 PolarHBondContact O-N 3Å; I196-V222 HydrophobicContact CD1-CG2 3.85Å
197F97.1Very high91.8Very high46 Ų4655.8 Ų55.820%0.20233%0.329CS..EExtended strand (participates in β ladder)trans-136.6136.7173-178.3-111.2000109.5G199 K200 L202 I213 T218 L219F197-G199 PolarHBondContact O-N 3.23Å; F197-G199 VanDerWaalsContact O-N 3.08Å; F197-K200 PolarHBondContact N-O 3.43Å; F197-K200 PolarHBondContact O-N 3.1Å; F197-L202 HydrophobicContact CB-CD1 4.05Å; F197-L202 HydrophobicContact CB-CD2 3.99Å; F197-L202 HydrophobicContact CB-CG 4.29Å; F197-I213 HydrophobicContact CB-CD1 4.36Å; F197-I213 HydrophobicContact CD1-CD1 4.12Å; F197-I213 HydrophobicContact CD1-CG1 3.61Å; F197-I213 HydrophobicContact CD2-CG1 4.44Å; F197-I213 HydrophobicContact CE1-CG1 3.69Å; F197-I213 HydrophobicContact CG-CD1 4.19Å; F197-I213 HydrophobicContact CG-CG1 4Å; F197-I213 HydrophobicContact CZ-CG1 4.15Å; F197-T218 WeakPolarHBondContact CD2-O 3.32Å; F197-L219 HydrophobicContact CB-CG 4.33Å; F197-L219 HydrophobicContact CD2-CD1 4.18Å; F197-L219 HydrophobicContact CD2-CG 4.44Å
198A92Very high92.3Very high87 Ų8753.1 Ų53.172%0.71930%0.301SS*.THydrogen-bonded Turntrans47.839.1-17700000113.8K200A198-K200 PolarHBondContact O-N 2.96Å
199G90.4Very high92.6Very high75 Ų7554.4 Ų54.477%0.77331%0.313SS*.THydrogen-bonded Turntrans75.4-0.5-179.200000115.7F197F197-G199 PolarHBondContact O-N 3.23Å; F197-G199 VanDerWaalsContact O-N 3.08Å
200K93.2Very high93.1Very high148 Ų14858.5 Ų58.564%0.64333%0.334SS*.EExtended strand (participates in β ladder)trans-103.9137.6178.3-66.3-176.3179.6178.90111.1I196 F197 A198I196-K200 CarbonylContact C-O 3.54Å; I196-K200 VanDerWaalsContact CA-O 3.28Å; I196-K200 WeakPolarHBondContact CA-O 3.42Å; I196-K200 WeakPolarHBondContact CG2-O 3.37Å; F197-K200 PolarHBondContact N-O 3.43Å; F197-K200 PolarHBondContact O-N 3.1Å; A198-K200 PolarHBondContact O-N 2.96Å
201Q92.8Very high93.4Very high92 Ų9259 Ų5943%0.4333%0.333SS..EExtended strand (participates in β ladder)trans-69.7132.5168.6-177.7-178.6-46.900108.9R194R194-Q201 HydrophobicContact CG-CG 4.03Å
202L96.2Very high93.9Very high3 Ų362.1 Ų62.12%0.01635%0.35CS..PPolyproline II helixtrans-82.8137.7177.7-56.5-175000110.4I175 L195 F197 Y211 I213 L219I175-L202 HydrophobicContact CB-CB 4.5Å; I175-L202 HydrophobicContact CD1-CB 3.89Å; I175-L202 HydrophobicContact CD1-CD1 3.58Å; I175-L202 HydrophobicContact CD1-CG 4.26Å; I175-L202 HydrophobicContact CG1-CB 3.88Å; I175-L202 HydrophobicContact CG2-CB 3.85Å; L195-L202 HydrophobicContact CB-CB 4.27Å; L195-L202 HydrophobicContact CB-CD1 4.04Å; L195-L202 HydrophobicContact CB-CG 4.37Å; L195-L202 PolarHBondContact O-N 3.01Å; F197-L202 HydrophobicContact CB-CD1 4.05Å; F197-L202 HydrophobicContact CB-CD2 3.99Å; F197-L202 HydrophobicContact CB-CG 4.29Å; L202-Y211 HydrophobicContact CB-CE2 4.29Å; L202-Y211 HydrophobicContact CD2-CD1 3.56Å; L202-Y211 HydrophobicContact CD2-CD2 3.69Å; L202-Y211 HydrophobicContact CD2-CE1 3.65Å; L202-Y211 HydrophobicContact CD2-CE2 3.75Å; L202-Y211 HydrophobicContact CD2-CG 3.58Å; L202-I213 HydrophobicContact CD1-CD1 3.89Å; L202-L219 HydrophobicContact CD1-CD2 3.65Å; L202-L219 HydrophobicContact CD1-CG 4.17Å
203E94.9Very high94.3Very high102 Ų10260.6 Ų60.648%0.47734%0.343SS..PPolyproline II helixtrans-96.9135.4-179.8-64.6170.6-177.300110.8I175 G205 R206 Y211I175-E203 WeakPolarHBondContact CB-O 3.47Å; I175-E203 VanDerWaalsContact CG1-O 3.32Å; I175-E203 WeakPolarHBondContact CG1-O 3.47Å; E203-G205 VanDerWaalsContact C-N 3.35Å; E203-G205 PolarHBondContact O-N 3.44Å; E203-R206 HydrophobicContact CB-CG 4.36Å; E203-R206 PolarHBondContact O-N 2.98Å; E203-R206 VanDerWaalsContact O-N 3.13Å; E203-R206 IonicContact OE1-NH2 2.99Å; E203-R206 IonicContact OE2-CZ 3.3Å; E203-R206 VanDerWaalsContact OE2-CZ 3.3Å; E203-R206 IonicContact OE2-NE 2.63Å; E203-R206 PolarHBondContact OE2-NE 2.86Å; E203-R206 IonicContact OE2-NH2 2.82Å; E203-R206 PolarHBondContact OE2-NH2 2.71Å; E203-Y211 WeakPolarHBondContact CB-OH 3.36Å; E203-Y211 PolarHBondContact N-OH 3.31Å
204D92.2Very high94.3Very high65 Ų6566.1 Ų66.135%0.34837%0.369SS..THydrogen-bonded Turntrans-57.9-41.1-169.5-67.8-5.8000113.6I175 E176 K179 R206I175-D204 PolarHBondContact N-O 2.92Å; E176-D204 HydrophobicContact CB-CB 4.26Å; E176-D204 PolarHBondContact N-O 3.24Å; K179-D204 WeakPolarHBondContact CE-OD1 3.35Å; K179-D204 IonicContact NZ-OD1 2.65Å; K179-D204 PolarHBondContact NZ-OD1 3.27Å; K179-D204 IonicContact NZ-OD2 3.37Å; K179-D204 PolarHBondContact NZ-OD2 2.91Å; D204-R206 VanDerWaalsContact C-N 3.3Å; D204-R206 PolarHBondContact O-N 2.86Å
205G93.2Very high94.2Very high74 Ų7467 Ų6776%0.76338%0.375SS*.THydrogen-bonded Turntrans-79.9-0.2-178.200000115.8E203E203-G205 VanDerWaalsContact C-N 3.35Å; E203-G205 PolarHBondContact O-N 3.44Å
206R96.2Very high94Very high112 Ų11273 Ų7342%0.42340%0.403SS..SBendtrans-97.6157.2174.8-65.7-159.2-154.1-163.5-1.3111.1T174 I175 E203 D204 D210 Y211T174-R206 CarbonylContact C-O 3.53Å; T174-R206 VanDerWaalsContact CA-O 3.25Å; T174-R206 WeakPolarHBondContact CA-O 3.26Å; I175-R206 WeakPolarHBondContact CG1-O 3.08Å; I175-R206 PolarHBondContact N-O 2.88Å; E203-R206 HydrophobicContact CB-CG 4.36Å; E203-R206 PolarHBondContact O-N 2.98Å; E203-R206 VanDerWaalsContact O-N 3.13Å; E203-R206 IonicContact OE1-NH2 2.99Å; E203-R206 IonicContact OE2-CZ 3.3Å; E203-R206 VanDerWaalsContact OE2-CZ 3.3Å; E203-R206 IonicContact OE2-NE 2.63Å; E203-R206 PolarHBondContact OE2-NE 2.86Å; E203-R206 IonicContact OE2-NH2 2.82Å; E203-R206 PolarHBondContact OE2-NH2 2.71Å; D204-R206 VanDerWaalsContact C-N 3.3Å; D204-R206 PolarHBondContact O-N 2.86Å; R206-D210 HydrophobicContact CB-CB 4.26Å; R206-Y211 HydrophobicContact CB-CD2 4.35Å; R206-Y211 HydrophobicContact CB-CE2 3.52Å; R206-Y211 WeakPolarHBondContact CD-OH 3.28Å; R206-Y211 HydrophobicContact CG-CE2 4.31Å
207T95.3Very high94.1Very high27 Ų2771.9 Ų71.917%0.16640%0.399CS..BIsolated β-bridgetrans-90.1164.4177.9680000112.4S172 D173 T174 S209 D210 Y211S172-T207 WeakPolarHBondContact O-CG2 3.22Å; D173-T207 CarbonylContact O-C 3.6Å; D173-T207 WeakPolarHBondContact O-CA 3.44Å; T174-T207 HydrophobicContact CG2-CG2 4.43Å; T207-S209 VanDerWaalsContact C-N 3.25Å; T207-S209 PolarHBondContact O-N 2.72Å; T207-S209 PolarHBondContact OG1-OG 3.16Å; T207-D210 WeakPolarHBondContact CB-OD2 3.47Å; T207-D210 PolarHBondContact N-OD2 2.9Å; T207-D210 PolarHBondContact O-N 3.39Å; T207-D210 PolarHBondContact OG1-N 2.77Å; T207-D210 PolarHBondContact OG1-OD2 3.06Å; T207-Y211 WeakPolarHBondContact O-CD2 3.3Å
208L95.1Very high94Very high0 Ų071.9 Ų71.90%040%0.403CS..THydrogen-bonded Turntrans-58.5-40170.3-72.3-178.2000111.6I155 V169 D173 I175 V178 D210 Y211 N212 I213I155-L208 HydrophobicContact CD1-CD1 4.22Å; I155-L208 HydrophobicContact CD1-CD2 4.34Å; V169-L208 HydrophobicContact CB-CD1 3.54Å; V169-L208 HydrophobicContact CG1-CD1 4.06Å; V169-L208 HydrophobicContact CG2-CD1 3.44Å; V169-L208 VanDerWaalsContact CG2-CD1 3.44Å; D173-L208 HydrophobicContact CB-CD1 4.24Å; D173-L208 HydrophobicContact CB-CG 4.49Å; D173-L208 PolarHBondContact O-N 2.72Å; I175-L208 HydrophobicContact CD1-CD2 3.9Å; V178-L208 HydrophobicContact CG2-CD1 3.94Å; V178-L208 HydrophobicContact CG2-CD2 3.92Å; V178-L208 HydrophobicContact CG2-CG 3.97Å; L208-D210 VanDerWaalsContact C-N 3.33Å; L208-D210 PolarHBondContact O-N 2.84Å; L208-Y211 PolarHBondContact O-N 3.13Å; L208-N212 PolarHBondContact O-N 3.19Å; L208-I213 HydrophobicContact CB-CB 4.21Å; L208-I213 HydrophobicContact CD2-CB 4.11Å; L208-I213 HydrophobicContact CD2-CD1 3.48Å; L208-I213 VanDerWaalsContact CD2-CD1 3.48Å; L208-I213 HydrophobicContact CD2-CG1 4.38Å; L208-I213 HydrophobicContact CD2-CG2 4.04Å; L208-I213 WeakPolarHBondContact O-CB 3.26Å; L208-I213 PolarHBondContact O-N 3.01Å
209S94.5Very high94.2Very high54 Ų5467.8 Ų67.838%0.37837%0.369SS..G310 helixtrans-62.8-35.4177.171.90000113.1P171 T207 Y211 N212P171-S209 WeakPolarHBondContact O-CB 3.43Å; P171-S209 PolarHBondContact O-N 3.43Å; P171-S209 PolarHBondContact O-OG 3.36Å; T207-S209 VanDerWaalsContact C-N 3.25Å; T207-S209 PolarHBondContact O-N 2.72Å; T207-S209 PolarHBondContact OG1-OG 3.16Å; S209-Y211 PolarHBondContact O-N 3.11Å; S209-N212 WeakPolarHBondContact O-CA 3.35Å; S209-N212 PolarHBondContact O-N 2.82Å
210D95.5Very high94.5Very high93 Ų9368.9 Ų68.950%0.49735%0.354SS..G310 helixtrans-61.8-27.3177.1-65.8-47.1000112.7R206 T207 L208R206-D210 HydrophobicContact CB-CB 4.26Å; T207-D210 WeakPolarHBondContact CB-OD2 3.47Å; T207-D210 PolarHBondContact N-OD2 2.9Å; T207-D210 PolarHBondContact O-N 3.39Å; T207-D210 PolarHBondContact OG1-N 2.77Å; T207-D210 PolarHBondContact OG1-OD2 3.06Å; L208-D210 VanDerWaalsContact C-N 3.33Å; L208-D210 PolarHBondContact O-N 2.84Å
211Y96.1Very high94.6Very high35 Ų3562 Ų6214%0.13732%0.324CS..G310 helixtrans-96.15.9175.2-66.9-73.7000113.4I175 L202 E203 R206 T207 L208 S209 I213I175-Y211 HydrophobicContact CD1-CD2 4.3Å; I175-Y211 HydrophobicContact CD1-CE2 4.35Å; I175-Y211 HydrophobicContact CG1-CD2 4.41Å; I175-Y211 HydrophobicContact CG1-CE2 4Å; L202-Y211 HydrophobicContact CB-CE2 4.29Å; L202-Y211 HydrophobicContact CD2-CD1 3.56Å; L202-Y211 HydrophobicContact CD2-CD2 3.69Å; L202-Y211 HydrophobicContact CD2-CE1 3.65Å; L202-Y211 HydrophobicContact CD2-CE2 3.75Å; L202-Y211 HydrophobicContact CD2-CG 3.58Å; E203-Y211 WeakPolarHBondContact CB-OH 3.36Å; E203-Y211 PolarHBondContact N-OH 3.31Å; R206-Y211 HydrophobicContact CB-CD2 4.35Å; R206-Y211 HydrophobicContact CB-CE2 3.52Å; R206-Y211 WeakPolarHBondContact CD-OH 3.28Å; R206-Y211 HydrophobicContact CG-CE2 4.31Å; T207-Y211 WeakPolarHBondContact O-CD2 3.3Å; L208-Y211 PolarHBondContact O-N 3.13Å; S209-Y211 PolarHBondContact O-N 3.11Å; Y211-I213 PolarHBondContact O-N 3.06Å
212N94.4Very high94.5Very high119 Ų11959.3 Ų59.364%0.63631%0.314SS*.THydrogen-bonded Turntrans51.835.1-172.7-64.8-57.3000112.9L208 S209 Q214L208-N212 PolarHBondContact O-N 3.19Å; S209-N212 WeakPolarHBondContact O-CA 3.35Å; S209-N212 PolarHBondContact O-N 2.82Å; N212-Q214 PolarHBondContact O-N 3.12Å
213I94.9Very high94Very high2 Ų263.4 Ų63.41%0.0134%0.335CS..  trans-72.8120.4175.1-65.5167.1000107.4M153 I155 F197 L202 L208 Y211 L219M153-I213 WeakPolarHBondContact CE-O 3.27Å; I155-I213 HydrophobicContact CG2-CG2 3.92Å; F197-I213 HydrophobicContact CB-CD1 4.36Å; F197-I213 HydrophobicContact CD1-CD1 4.12Å; F197-I213 HydrophobicContact CD1-CG1 3.61Å; F197-I213 HydrophobicContact CD2-CG1 4.44Å; F197-I213 HydrophobicContact CE1-CG1 3.69Å; F197-I213 HydrophobicContact CG-CD1 4.19Å; F197-I213 HydrophobicContact CG-CG1 4Å; F197-I213 HydrophobicContact CZ-CG1 4.15Å; L202-I213 HydrophobicContact CD1-CD1 3.89Å; L208-I213 HydrophobicContact CB-CB 4.21Å; L208-I213 HydrophobicContact CD2-CB 4.11Å; L208-I213 HydrophobicContact CD2-CD1 3.48Å; L208-I213 VanDerWaalsContact CD2-CD1 3.48Å; L208-I213 HydrophobicContact CD2-CG1 4.38Å; L208-I213 HydrophobicContact CD2-CG2 4.04Å; L208-I213 WeakPolarHBondContact O-CB 3.26Å; L208-I213 PolarHBondContact O-N 3.01Å; Y211-I213 PolarHBondContact O-N 3.06Å; I213-L219 HydrophobicContact CD1-CD1 4.18Å; I213-L219 HydrophobicContact CD1-CD2 4.33Å; I213-L219 HydrophobicContact CD1-CG 4.41Å; I213-L219 HydrophobicContact CG2-CD1 3.96Å
214Q92.6Very high93.3Very high116 Ų11661.3 Ų61.354%0.54232%0.323SS..  trans-104.9169.7-177.4-61.8-59.7-34.900111.1N212 E216 S217N212-Q214 PolarHBondContact O-N 3.12Å; Q214-E216 PolarHBondContact O-N 3.47Å; Q214-S217 PolarHBondContact N-OG 3.48Å; Q214-S217 WeakPolarHBondContact O-CB 3.07Å; Q214-S217 PolarHBondContact O-N 3.15Å; Q214-S217 PolarHBondContact O-OG 3.39Å
215K90.5Very high92.1Very high113 Ų11365.5 Ų65.549%0.49134%0.344SS..THydrogen-bonded Turntrans-48.7139.5168.6-178.5170.1178.1167.10110.7M153 Q154 S217M153-K215 HydrophobicContact CG-CB 4.08Å; Q154-K215 CarbonylContact O-C 3.55Å; K215-S217 PolarHBondContact O-N 3.24Å
216E91.2Very high90.8Very high127 Ų12772.6 Ų72.659%0.59335%0.348SS*.THydrogen-bonded Turntrans63.610.1-176.9-66.8166.1-16200115.2Q154 F156 Q214Q154-E216 WeakPolarHBondContact O-CA 3.48Å; Q154-E216 PolarHBondContact O-N 3.23Å; F156-E216 HydrophobicContact CE2-CB 3.95Å; F156-E216 HydrophobicContact CE2-CG 4.01Å; Q214-E216 PolarHBondContact O-N 3.47Å
217S96.7Very high89.3Confident20 Ų2069.4 Ų69.414%0.1435%0.35CS..  trans-62.7147.1172.1-65.70000111.4F156 Q214 K215F156-S217 PolarHBondContact N-O 3.24Å; Q214-S217 PolarHBondContact N-OG 3.48Å; Q214-S217 WeakPolarHBondContact O-CB 3.07Å; Q214-S217 PolarHBondContact O-N 3.15Å; Q214-S217 PolarHBondContact O-OG 3.39Å; K215-S217 PolarHBondContact O-N 3.24Å
218T96Very high88.2Confident46 Ų4668.3 Ų68.328%0.28234%0.344SS..EExtended strand (participates in β ladder)trans-110.6116.9177.3-57.50000111.3F156 K158 F197F156-T218 HydrophobicContact CB-CG2 4.32Å; F156-T218 CarbonylContact O-C 3.44Å; F156-T218 VanDerWaalsContact O-CA 3.28Å; F156-T218 WeakPolarHBondContact O-CA 3.34Å; K158-T218 HydrophobicContact CB-CG2 4.27Å; K158-T218 HydrophobicContact CD-CG2 3.78Å; K158-T218 HydrophobicContact CG-CG2 3.71Å; F197-T218 WeakPolarHBondContact CD2-O 3.32Å
219L97.1Very high87.9Confident0 Ų069.5 Ų69.50%035%0.35CS..EExtended strand (participates in β ladder)trans-91.4154.8169.3-73.362.5000109.2I155 F156 V157 K158 L195 F197 L202 I213I155-L219 HydrophobicContact CD1-CD1 4.01Å; I155-L219 HydrophobicContact CD1-CD2 4.16Å; F156-L219 PolarHBondContact O-N 2.87Å; V157-L219 CarbonylContact C-O 3.51Å; V157-L219 WeakPolarHBondContact CA-O 3.35Å; V157-L219 HydrophobicContact CG2-CB 4.32Å; K158-L219 PolarHBondContact N-O 3.28Å; L195-L219 HydrophobicContact CD1-CD2 4.31Å; F197-L219 HydrophobicContact CB-CG 4.33Å; F197-L219 HydrophobicContact CD2-CD1 4.18Å; F197-L219 HydrophobicContact CD2-CG 4.44Å; L202-L219 HydrophobicContact CD1-CD2 3.65Å; L202-L219 HydrophobicContact CD1-CG 4.17Å; I213-L219 HydrophobicContact CD1-CD1 4.18Å; I213-L219 HydrophobicContact CD1-CD2 4.33Å; I213-L219 HydrophobicContact CD1-CG 4.41Å; I213-L219 HydrophobicContact CG2-CD1 3.96Å
220H96.5Very high87.7Confident99 Ų9969.1 Ų69.146%0.45834%0.342SS..EExtended strand (participates in β ladder)trans-109128.2173.5-64.773.3000109.3K158 L195 I196K158-H220 WeakPolarHBondContact O-CA 3.31Å; L195-H220 CarbonylContact C-O 3.48Å; L195-H220 WeakPolarHBondContact CA-O 3.29Å; I196-H220 HydrophobicContact CB-CB 4.33Å; I196-H220 PolarHBondContact N-O 2.81Å; I196-H220 PolarHBondContact O-N 3Å
221L94.3Very high87.6Confident3 Ų364.7 Ų64.72%0.01632%0.318CS..EExtended strand (participates in β ladder)trans-100.3120.9175.717662.9000109.9V157 K158 I182 I188 Q193 L195 L223V157-L221 HydrophobicContact CG1-CB 3.51Å; V157-L221 HydrophobicContact CG1-CD2 4.36Å; K158-L221 PolarHBondContact O-N 3.37Å; I182-L221 HydrophobicContact CG2-CD2 4.03Å; I188-L221 HydrophobicContact CD1-CD2 4.01Å; Q193-L221 HydrophobicContact CB-CD1 3.68Å; Q193-L221 HydrophobicContact CG-CD1 3.9Å; L195-L221 HydrophobicContact CD2-CB 4.11Å; L195-L221 HydrophobicContact CD2-CD1 3.86Å; L221-L223 HydrophobicContact CD2-CD2 4.34Å; L221-L223 HydrophobicContact CG-CD2 4.31Å
222V90.5Very high87.6Confident36 Ų3665.5 Ų65.522%0.21832%0.323CS..EExtended strand (participates in β ladder)trans-112.3128.2170.6177.90000108.3L160 R194 I196L160-V222 HydrophobicContact CD1-CG1 4.25Å; L160-V222 HydrophobicContact CD1-CG2 4.44Å; L160-V222 HydrophobicContact CD2-CG2 4.22Å; L160-V222 HydrophobicContact CG-CG2 4.39Å; R194-V222 WeakPolarHBondContact CA-O 3.38Å; R194-V222 HydrophobicContact CB-CB 4.19Å; R194-V222 VanDerWaalsContact CB-O 3.26Å; R194-V222 WeakPolarHBondContact CB-O 3.37Å; R194-V222 PolarHBondContact N-O 2.93Å; R194-V222 PolarHBondContact O-N 2.86Å; I196-V222 HydrophobicContact CD1-CG2 3.85Å
223L87.1Confident87.8Confident88 Ų8859.8 Ų59.846%0.46129%0.292SS..EExtended strand (participates in β ladder)trans-81.3129.6177.6-59.6-179.4000110.4I188 Q192 L221I188-L223 HydrophobicContact CD1-CD2 4.02Å; I188-L223 HydrophobicContact CG1-CD2 4.42Å; I188-L223 HydrophobicContact CG2-CD2 3.58Å; Q192-L223 CarbonylContact O-C 3.58Å; Q192-L223 WeakPolarHBondContact O-CA 3.38Å; L221-L223 HydrophobicContact CD2-CD2 4.34Å; L221-L223 HydrophobicContact CG-CD2 4.31Å
224R79.1Confident87.9Confident59 Ų5963.9 Ų63.922%0.22331%0.31CS..  trans-87.7122168.7-60.1-170.1-173.886.22.4108.7D191 Q192 Q193 R194D191-R224 PolarHBondContact O-NH1 2.89Å; D191-R224 VanDerWaalsContact O-NH1 3.16Å; Q192-R224 PolarHBondContact O-N 3.12Å; Q193-R224 VanDerWaalsContact C-NH1 3.27Å; Q193-R224 PolarHBondContact O-NH1 2.91Å; R194-R224 HydrophobicContact CB-CG 4.3Å
225L67.7Low87.7Confident152 Ų15259.7 Ų59.780%0.79629%0.293SS*.SBendtrans-81-10-179-65.7172.9000114.8
226R65.7Low87.4Confident224 Ų22461.1 Ų61.185%0.84531%0.305SS*.SBendtrans-141.221.7-168.6-62.4-167.4-68.5-143.3-0.1114.4
227G63.6Low87.1Confident45 Ų4561.2 Ų61.246%0.46431%0.314SS..SBendtrans-88.2-26.7-174.800000114.5
228G74.1Confident86.5Confident4 Ų462.8 Ų62.84%0.04133%0.333CS..SBendtrans-96.3179-163.200000116.4D191 Q230 E244D191-G228 WeakPolarHBondContact OD2-CA 3.04Å; G228-Q230 PolarHBondContact O-N 2.91Å; G228-E244 WeakPolarHBondContact CA-OE2 3.35Å
229M88.7Confident86.3Confident24 Ų2465.6 Ų65.612%0.11834%0.342CS..EExtended strand (participates in β ladder)trans-73.6102.8170.1166.9168.1168.500108.6I231 V245 P247 I289 K291M229-I231 HydrophobicContact CE-CG2 4.04Å; M229-V245 WeakPolarHBondContact CB-O 3.14Å; M229-V245 HydrophobicContact CE-CG2 4.24Å; M229-V245 HydrophobicContact CG-CG2 4.05Å; M229-V245 WeakPolarHBondContact O-CG2 3.25Å; M229-V245 PolarHBondContact O-N 3.32Å; M229-P247 HydrophobicContact SD-CG 3.85Å; M229-I289 HydrophobicContact CE-CG2 4.41Å; M229-I289 VanDerWaalsContact CE-O 3.29Å; M229-I289 WeakPolarHBondContact CE-O 3.44Å; M229-K291 HydrophobicContact CG-CB 4.18Å
230Q89.1Confident86.1Confident46 Ų4668.6 Ų68.622%0.21536%0.36CS..EExtended strand (participates in β ladder)trans-86.9138.5173.5-71179.310.900110.6G228 T242 L243 E244 E292G228-Q230 PolarHBondContact O-N 2.91Å; Q230-T242 HydrophobicContact CB-CG2 4.33Å; Q230-T242 HydrophobicContact CG-CG2 4.33Å; Q230-L243 CarbonylContact C-O 3.54Å; Q230-L243 VanDerWaalsContact CA-O 3.25Å; Q230-L243 WeakPolarHBondContact CA-O 3.41Å; Q230-E244 VanDerWaalsContact CD-OE1 3.24Å; Q230-E244 HydrophobicContact CG-CG 4.35Å; Q230-E244 WeakPolarHBondContact CG-OE1 3.48Å; Q230-E244 VanDerWaalsContact CG-OE2 3.31Å; Q230-E244 WeakPolarHBondContact CG-OE2 3.31Å; Q230-E244 PolarHBondContact NE2-OE1 3.25Å; Q230-E292 WeakPolarHBondContact O-CA 3.35Å; Q230-E292 PolarHBondContact O-N 3.39Å
231I94.3Very high85.9Confident0 Ų064.2 Ų64.20%034%0.34CS..EExtended strand (participates in β ladder)trans-123.9162.4165.264.6169.4000109.6M229 L243 V245 V254 L284 I289 S293 L295M229-I231 HydrophobicContact CE-CG2 4.04Å; I231-L243 HydrophobicContact CG1-CB 4.03Å; I231-L243 PolarHBondContact N-O 2.96Å; I231-L243 PolarHBondContact O-N 2.66Å; I231-V245 HydrophobicContact CB-CG2 4.28Å; I231-V245 HydrophobicContact CD1-CG1 3.89Å; I231-V245 HydrophobicContact CD1-CG2 3.95Å; I231-V245 HydrophobicContact CG1-CG1 3.94Å; I231-V245 HydrophobicContact CG1-CG2 3.76Å; I231-V245 HydrophobicContact CG2-CG2 3.7Å; I231-V254 HydrophobicContact CD1-CG1 4.35Å; I231-L284 HydrophobicContact CD1-CD1 4.24Å; I231-L284 HydrophobicContact CD1-CD2 4.38Å; I231-I289 HydrophobicContact CG2-CG2 3.97Å; I231-S293 WeakPolarHBondContact CA-O 3.43Å; I231-L295 HydrophobicContact CD1-CD1 4.06Å; I231-L295 HydrophobicContact CD1-CD2 4.26Å
232F96.5Very high85.8Confident52 Ų5266.7 Ų66.723%0.22836%0.355CS..EExtended strand (participates in β ladder)trans-112.9140.4178.9-57.5-71.6000110.5T240 I241 T242 E292 S293 T294 L295F232-T240 HydrophobicContact CB-CG2 3.84Å; F232-T240 HydrophobicContact CD1-CG2 3.93Å; F232-T240 HydrophobicContact CG-CG2 4.21Å; F232-I241 CarbonylContact C-O 3.57Å; F232-I241 WeakPolarHBondContact CA-O 3.47Å; F232-T242 HydrophobicContact CD1-CG2 4.21Å; F232-T242 HydrophobicContact CE1-CG2 3.89Å; F232-E292 HydrophobicContact CE2-CB 3.99Å; F232-E292 HydrophobicContact CE2-CG 4.07Å; F232-S293 PolarHBondContact N-O 3.32Å; F232-T294 HydrophobicContact CB-CG2 4.27Å; F232-T294 CarbonylContact O-C 3.59Å; F232-T294 VanDerWaalsContact O-CA 3.28Å; F232-T294 WeakPolarHBondContact O-CA 3.24Å; F232-L295 PolarHBondContact O-N 3.31Å
233V97Very high85.8Confident0 Ų065 Ų650%035%0.345CS..EExtended strand (participates in β ladder)trans-120.6112.5174.2-178.30000108.3I241 L243 I258 L271 L295 L297V233-I241 HydrophobicContact CB-CB 4.27Å; V233-I241 HydrophobicContact CG1-CD1 4.47Å; V233-I241 PolarHBondContact N-O 3.24Å; V233-I241 PolarHBondContact O-N 3.26Å; V233-L243 HydrophobicContact CG2-CD1 3.55Å; V233-L243 HydrophobicContact CG2-CG 4.18Å; V233-I258 HydrophobicContact CG1-CD1 4.12Å; V233-I258 HydrophobicContact CG2-CD1 4.14Å; V233-L271 HydrophobicContact CG1-CD2 4.03Å; V233-L295 CarbonylContact C-O 3.48Å; V233-L295 WeakPolarHBondContact CA-O 3.16Å; V233-L295 HydrophobicContact CG2-CB 4.31Å; V233-L297 HydrophobicContact CG1-CB 3.5Å; V233-L297 VanDerWaalsContact CG1-CB 3.5Å; V233-L297 HydrophobicContact CG1-CD2 4.34Å; V233-L297 HydrophobicContact CG1-CG 4.5Å
234K96.6Very high85.9Confident88 Ų8862.3 Ų62.338%0.38333%0.33SS..EExtended strand (participates in β ladder)trans-92.9126.3177.8-75.3-172.8-179.6-178.30110.9K239 T240 T294 L295 H296 L297K234-K239 WeakPolarHBondContact CA-O 3.5Å; K234-T240 HydrophobicContact CG-CG2 4.24Å; K234-T294 HydrophobicContact CB-CG2 4.26Å; K234-T294 HydrophobicContact CD-CG2 3.75Å; K234-T294 HydrophobicContact CG-CG2 3.69Å; K234-L295 PolarHBondContact N-O 2.81Å; K234-H296 CarbonylContact O-C 3.59Å; K234-H296 WeakPolarHBondContact O-CA 3.08Å; K234-L297 PolarHBondContact O-N 3.12Å
235T90.2Very high86.5Confident28 Ų2859.7 Ų59.717%0.17232%0.321CS..EExtended strand (participates in β ladder)trans-82.2163.7171.364.30000110.9T237 G238 K239 I241 L297T235-T237 PolarHBondContact O-N 3.45Å; T235-T237 PolarHBondContact OG1-OG1 2.74Å; T235-G238 PolarHBondContact O-N 3.34Å; T235-K239 PolarHBondContact N-O 3.02Å; T235-K239 WeakPolarHBondContact OG1-CB 3.42Å; T235-K239 PolarHBondContact OG1-N 3.42Å; T235-K239 PolarHBondContact OG1-O 2.85Å; T235-K239 VanDerWaalsContact OG1-O 3.06Å; T235-I241 HydrophobicContact CG2-CD1 3.87Å; T235-L297 HydrophobicContact CG2-CD2 4.41Å
236L84.2Confident87.5Confident142 Ų14254.3 Ų54.374%0.74329%0.291SS*.THydrogen-bonded Turntrans-63-21.1175.9-68.1176.9000113.9G238 V298L236-G238 PolarHBondContact O-N 2.62Å; L236-V298 HydrophobicContact CD1-CG1 4.22Å; L236-V298 HydrophobicContact CD1-CG2 4.42Å; L236-V298 HydrophobicContact CD2-CG2 4.21Å; L236-V298 HydrophobicContact CG-CG2 4.38Å
237T84.1Confident88.7Confident129 Ų12946.8 Ų46.879%0.79127%0.271SS*.THydrogen-bonded Turntrans-80.5-5.9175.762.40000112.7T235T235-T237 PolarHBondContact O-N 3.45Å; T235-T237 PolarHBondContact OG1-OG1 2.74Å
238G84.6Confident90Very high53 Ų5348.2 Ų48.255%0.54627%0.274SS..SBendtrans91.4-6.4-176.800000114.5T235 L236 T240T235-G238 PolarHBondContact O-N 3.34Å; L236-G238 PolarHBondContact O-N 2.62Å; G238-T240 PolarHBondContact O-N 2.81Å
239K91.4Very high90.9Very high106 Ų10648.6 Ų48.646%0.46128%0.276SS..  trans-62.7133.3173.1-177.2-177.2174.9-170.80109.8K234 T235 E262K234-K239 WeakPolarHBondContact CA-O 3.5Å; T235-K239 PolarHBondContact N-O 3.02Å; T235-K239 WeakPolarHBondContact OG1-CB 3.42Å; T235-K239 PolarHBondContact OG1-N 3.42Å; T235-K239 PolarHBondContact OG1-O 2.85Å; T235-K239 VanDerWaalsContact OG1-O 3.06Å; K239-E262 WeakPolarHBondContact CE-OE1 3.39Å; K239-E262 IonicContact NZ-OE1 2.99Å; K239-E262 PolarHBondContact NZ-OE1 3.2Å; K239-E262 IonicContact NZ-OE2 2.85Å; K239-E262 PolarHBondContact NZ-OE2 3.5Å
240T93.4Very high91.3Very high63 Ų6349.1 Ų49.139%0.38728%0.28SS..EExtended strand (participates in β ladder)trans-107.8121.4176.9-56.30000109.8F232 K234 G238F232-T240 HydrophobicContact CB-CG2 3.84Å; F232-T240 HydrophobicContact CD1-CG2 3.93Å; F232-T240 HydrophobicContact CG-CG2 4.21Å; K234-T240 HydrophobicContact CG-CG2 4.24Å; G238-T240 PolarHBondContact O-N 2.81Å
241I92Very high91.6Very high6 Ų646.9 Ų46.93%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-99.1131.1176.6-55.7150.4000107.3F232 V233 T235 L243 K261 E262F232-I241 CarbonylContact C-O 3.57Å; F232-I241 WeakPolarHBondContact CA-O 3.47Å; V233-I241 HydrophobicContact CB-CB 4.27Å; V233-I241 HydrophobicContact CG1-CD1 4.47Å; V233-I241 PolarHBondContact N-O 3.24Å; V233-I241 PolarHBondContact O-N 3.26Å; T235-I241 HydrophobicContact CG2-CD1 3.87Å; I241-L243 HydrophobicContact CG2-CD2 3.94Å; I241-L243 HydrophobicContact CG2-CG 4.39Å; I241-K261 HydrophobicContact CG2-CD 4.35Å; I241-E262 HydrophobicContact CD1-CG 3.63Å; I241-E262 HydrophobicContact CG1-CG 3.94Å; I241-E262 HydrophobicContact CG2-CG 4.36Å
242T92.2Very high91.7Very high55 Ų5552.5 Ų52.534%0.33730%0.296SS..EExtended strand (participates in β ladder)trans-97.5127.8175.7-53.30000108.8Q230 F232 K261Q230-T242 HydrophobicContact CB-CG2 4.33Å; Q230-T242 HydrophobicContact CG-CG2 4.33Å; F232-T242 HydrophobicContact CD1-CG2 4.21Å; F232-T242 HydrophobicContact CE1-CG2 3.89Å; T242-K261 PolarHBondContact O-NZ 3.03Å
243L91.1Very high91.6Very high1 Ų153.3 Ų53.31%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-119.5143.8177.8-59.3178.8000110.2Q230 I231 V233 I241 V245 V254 K257 I258 K261Q230-L243 CarbonylContact C-O 3.54Å; Q230-L243 VanDerWaalsContact CA-O 3.25Å; Q230-L243 WeakPolarHBondContact CA-O 3.41Å; I231-L243 HydrophobicContact CG1-CB 4.03Å; I231-L243 PolarHBondContact N-O 2.96Å; I231-L243 PolarHBondContact O-N 2.66Å; V233-L243 HydrophobicContact CG2-CD1 3.55Å; V233-L243 HydrophobicContact CG2-CG 4.18Å; I241-L243 HydrophobicContact CG2-CD2 3.94Å; I241-L243 HydrophobicContact CG2-CG 4.39Å; L243-V245 HydrophobicContact CB-CG1 4.05Å; L243-V254 HydrophobicContact CD1-CG1 3.89Å; L243-K257 HydrophobicContact CD2-CB 4.32Å; L243-I258 HydrophobicContact CD1-CD1 4.05Å; L243-I258 HydrophobicContact CD1-CG1 3.53Å; L243-I258 HydrophobicContact CD2-CG1 4.31Å; L243-I258 HydrophobicContact CG-CG1 4.47Å; L243-K261 HydrophobicContact CD2-CD 3.85Å
244E88.5Confident91.5Very high32 Ų3253.3 Ų53.315%0.1530%0.303CS..EExtended strand (participates in β ladder)trans-99.7123.3169.6-65.7-77.1178.800108.2Q192 G228 Q230 K257Q192-E244 VanDerWaalsContact NE2-CG 3.31Å; G228-E244 WeakPolarHBondContact CA-OE2 3.35Å; Q230-E244 VanDerWaalsContact CD-OE1 3.24Å; Q230-E244 HydrophobicContact CG-CG 4.35Å; Q230-E244 WeakPolarHBondContact CG-OE1 3.48Å; Q230-E244 VanDerWaalsContact CG-OE2 3.31Å; Q230-E244 WeakPolarHBondContact CG-OE2 3.31Å; Q230-E244 PolarHBondContact NE2-OE1 3.25Å; E244-K257 PolarHBondContact O-NZ 2.8Å
245V91.2Very high91.5Very high3 Ų349.3 Ų49.32%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-140.7161.8-170.1-610000110.5M229 I231 L243 D249 V254 K257 L284M229-V245 WeakPolarHBondContact CB-O 3.14Å; M229-V245 HydrophobicContact CE-CG2 4.24Å; M229-V245 HydrophobicContact CG-CG2 4.05Å; M229-V245 WeakPolarHBondContact O-CG2 3.25Å; M229-V245 PolarHBondContact O-N 3.32Å; I231-V245 HydrophobicContact CB-CG2 4.28Å; I231-V245 HydrophobicContact CD1-CG1 3.89Å; I231-V245 HydrophobicContact CD1-CG2 3.95Å; I231-V245 HydrophobicContact CG1-CG1 3.94Å; I231-V245 HydrophobicContact CG1-CG2 3.76Å; I231-V245 HydrophobicContact CG2-CG2 3.7Å; L243-V245 HydrophobicContact CB-CG1 4.05Å; V245-D249 VanDerWaalsContact CA-OD2 3.28Å; V245-D249 WeakPolarHBondContact CA-OD2 3.18Å; V245-V254 HydrophobicContact CG1-CG2 4.26Å; V245-K257 HydrophobicContact CG1-CD 4.09Å; V245-L284 HydrophobicContact CB-CD1 3.52Å; V245-L284 HydrophobicContact CG1-CD1 4.06Å; V245-L284 HydrophobicContact CG2-CD1 3.39Å
246E88.5Confident91.6Very high39 Ų3949.7 Ų49.718%0.18229%0.291CS..  trans-111.1152.7169.9-65.9-177.415700110.3Q183 P190 S248 D249Q183-E246 PolarHBondContact NE2-OE2 3.39Å; P190-E246 WeakPolarHBondContact CD-OE1 3.26Å; E246-S248 PolarHBondContact O-N 2.71Å; E246-S248 VanDerWaalsContact O-N 3.11Å; E246-D249 PolarHBondContact N-OD2 2.88Å; E246-D249 VanDerWaalsContact O-CB 3.31Å; E246-D249 WeakPolarHBondContact O-CB 3.46Å; E246-D249 PolarHBondContact O-N 2.79Å
247P92Very high92Very high66 Ų6645.2 Ų45.243%0.42927%0.266SS..THydrogen-bonded Turntrans-55-30.2175.8-25.934000113.7M229 D249 S285M229-P247 HydrophobicContact SD-CG 3.85Å; P247-D249 VanDerWaalsContact C-N 3.34Å; P247-S285 WeakPolarHBondContact O-CB 3.45Å; P247-S285 PolarHBondContact O-N 3.36Å; P247-S285 PolarHBondContact O-OG 2.74Å
248S90.4Very high92.5Very high75 Ų7539.1 Ų39.152%0.52423%0.228SC..THydrogen-bonded Turntrans-76.8-13.7176.643.30000114.2E246 T250 T283E246-S248 PolarHBondContact O-N 2.71Å; E246-S248 VanDerWaalsContact O-N 3.11Å; S248-T250 PolarHBondContact O-N 3.45Å; S248-T283 WeakPolarHBondContact O-CG2 3.04Å
249D93.2Very high92.8Very high13 Ų1339 Ų397%0.0721%0.213CC..  trans-59.6130.6179.4-86.9-35.9000110.3V245 E246 P247 N253 V254 K257 T283 L284V245-D249 VanDerWaalsContact CA-OD2 3.28Å; V245-D249 WeakPolarHBondContact CA-OD2 3.18Å; E246-D249 PolarHBondContact N-OD2 2.88Å; E246-D249 VanDerWaalsContact O-CB 3.31Å; E246-D249 WeakPolarHBondContact O-CB 3.46Å; E246-D249 PolarHBondContact O-N 2.79Å; P247-D249 VanDerWaalsContact C-N 3.34Å; D249-N253 HydrophobicContact CB-CB 4.23Å; D249-N253 PolarHBondContact OD1-ND2 3.05Å; D249-V254 HydrophobicContact CB-CG2 4.36Å; D249-K257 VanDerWaalsContact OD2-CE 3.27Å; D249-K257 WeakPolarHBondContact OD2-CE 3.35Å; D249-K257 IonicContact OD2-NZ 3.11Å; D249-T283 CarbonylContact O-C 3.57Å; D249-T283 WeakPolarHBondContact O-CA 3.39Å; D249-L284 HydrophobicContact CB-CD1 4.22Å; D249-L284 HydrophobicContact CB-CG 4.48Å; D249-L284 PolarHBondContact O-N 2.79Å
250T96.1Very high92.6Very high34 Ų3440.2 Ų40.221%0.20923%0.225CC..BIsolated β-bridgetrans-71.5159.2170.865.90000110.4S248 E252 N253 V254 R282 T283S248-T250 PolarHBondContact O-N 3.45Å; T250-E252 PolarHBondContact O-N 2.88Å; T250-N253 WeakPolarHBondContact O-CB 3.48Å; T250-N253 PolarHBondContact O-N 3.05Å; T250-N253 VanDerWaalsContact O-N 3.07Å; T250-N253 PolarHBondContact OG1-N 3.47Å; T250-N253 VanDerWaalsContact OG1-N 3.08Å; T250-N253 PolarHBondContact OG1-OD1 3.23Å; T250-N253 VanDerWaalsContact OG1-OD1 3.06Å; T250-V254 WeakPolarHBondContact O-CG2 3.42Å; T250-V254 PolarHBondContact O-N 3.03Å; T250-R282 CarbonylContact C-O 3.58Å; T250-R282 VanDerWaalsContact CA-O 3.26Å; T250-R282 WeakPolarHBondContact CA-O 3.47Å; T250-T283 HydrophobicContact CG2-CG2 4.46Å
251I96.9Very high92.4Very high0 Ų042.8 Ų42.80%023%0.231CC..Hα-helixtrans-63.2-31.1174.1-61.4-57.1000111.1V254 K255 L271 L278 E279 D280 R282 L284 Y287I251-V254 PolarHBondContact O-N 3.17Å; I251-K255 VanDerWaalsContact O-CG 3.3Å; I251-K255 WeakPolarHBondContact O-CG 3.41Å; I251-K255 PolarHBondContact O-N 3.23Å; I251-L271 HydrophobicContact CG2-CD1 4.21Å; I251-L278 HydrophobicContact CD1-CB 3.92Å; I251-L278 HydrophobicContact CD1-CD1 3.6Å; I251-L278 HydrophobicContact CD1-CG 4.28Å; I251-L278 HydrophobicContact CG1-CB 3.89Å; I251-L278 HydrophobicContact CG1-CD1 4.49Å; I251-L278 HydrophobicContact CG2-CB 3.85Å; I251-E279 WeakPolarHBondContact CB-O 3.26Å; I251-E279 VanDerWaalsContact CG1-O 3.31Å; I251-E279 WeakPolarHBondContact CG1-O 3.45Å; I251-D280 PolarHBondContact N-O 3.21Å; I251-R282 WeakPolarHBondContact CG1-O 3.39Å; I251-R282 PolarHBondContact N-O 2.81Å; I251-L284 HydrophobicContact CD1-CD2 3.87Å; I251-Y287 HydrophobicContact CD1-CD2 4.31Å; I251-Y287 HydrophobicContact CD1-CE2 4.37Å; I251-Y287 HydrophobicContact CG1-CD2 4.42Å; I251-Y287 HydrophobicContact CG1-CE2 4.02Å
252E95.3Very high92.3Very high118 Ų11845.6 Ų45.655%0.55124%0.244SC*.Hα-helixtrans-59.8-46.3169.2-169.8172.5-164.700112.2T250 V254 K255 A256 D280T250-E252 PolarHBondContact O-N 2.88Å; E252-V254 VanDerWaalsContact C-N 3.3Å; E252-V254 PolarHBondContact O-N 3.08Å; E252-K255 WeakPolarHBondContact O-CB 3.41Å; E252-K255 PolarHBondContact O-N 3.32Å; E252-K255 VanDerWaalsContact O-N 3.14Å; E252-A256 PolarHBondContact O-N 3.4Å; E252-D280 HydrophobicContact CB-CB 4.29Å; E252-D280 PolarHBondContact N-O 2.81Å
253N94.2Very high91.9Very high69 Ų6945.6 Ų45.637%0.36926%0.255SS..Hα-helixtrans-58.9-42.7174.5-64.7-3.9000111.5D249 T250 K255 A256 K257D249-N253 HydrophobicContact CB-CB 4.23Å; D249-N253 PolarHBondContact OD1-ND2 3.05Å; T250-N253 WeakPolarHBondContact O-CB 3.48Å; T250-N253 PolarHBondContact O-N 3.05Å; T250-N253 VanDerWaalsContact O-N 3.07Å; T250-N253 PolarHBondContact OG1-N 3.47Å; T250-N253 VanDerWaalsContact OG1-N 3.08Å; T250-N253 PolarHBondContact OG1-OD1 3.23Å; T250-N253 VanDerWaalsContact OG1-OD1 3.06Å; N253-K255 VanDerWaalsContact C-N 3.3Å; N253-K255 PolarHBondContact O-N 2.92Å; N253-A256 PolarHBondContact O-N 2.82Å; N253-K257 WeakPolarHBondContact O-CG 3.45Å; N253-K257 PolarHBondContact O-N 2.89Å
254V95.8Very high91.7Very high0 Ų046.8 Ų46.80%026%0.261CS..Hα-helixtrans-62.9-40.2178177.30000110.8I231 L243 V245 D249 T250 I251 E252 K257 I258 L271 L284I231-V254 HydrophobicContact CD1-CG1 4.35Å; L243-V254 HydrophobicContact CD1-CG1 3.89Å; V245-V254 HydrophobicContact CG1-CG2 4.26Å; D249-V254 HydrophobicContact CB-CG2 4.36Å; T250-V254 WeakPolarHBondContact O-CG2 3.42Å; T250-V254 PolarHBondContact O-N 3.03Å; I251-V254 PolarHBondContact O-N 3.17Å; E252-V254 VanDerWaalsContact C-N 3.3Å; E252-V254 PolarHBondContact O-N 3.08Å; V254-K257 WeakPolarHBondContact O-CB 3.4Å; V254-K257 PolarHBondContact O-N 3.14Å; V254-I258 HydrophobicContact CG1-CD1 4.28Å; V254-I258 WeakPolarHBondContact O-CG1 3.47Å; V254-I258 PolarHBondContact O-N 3.03Å; V254-I258 VanDerWaalsContact O-N 3.07Å; V254-L271 HydrophobicContact CB-CD1 4.37Å; V254-L271 HydrophobicContact CG1-CD1 3.79Å; V254-L284 HydrophobicContact CG2-CD1 3.92Å; V254-L284 HydrophobicContact CG2-CD2 3.93Å; V254-L284 HydrophobicContact CG2-CG 3.97Å
255K95.9Very high91.6Very high4 Ų445.6 Ų45.62%0.01726%0.256CS..Hα-helixtrans-65.8-42.8175.9-72.1170.7165.7-166.10112.2I251 E252 N253 K257 I258 Q259 P266 Q269 L271 D280I251-K255 VanDerWaalsContact O-CG 3.3Å; I251-K255 WeakPolarHBondContact O-CG 3.41Å; I251-K255 PolarHBondContact O-N 3.23Å; E252-K255 WeakPolarHBondContact O-CB 3.41Å; E252-K255 PolarHBondContact O-N 3.32Å; E252-K255 VanDerWaalsContact O-N 3.14Å; N253-K255 VanDerWaalsContact C-N 3.3Å; N253-K255 PolarHBondContact O-N 2.92Å; K255-K257 VanDerWaalsContact C-N 3.3Å; K255-K257 PolarHBondContact O-N 3.44Å; K255-I258 WeakPolarHBondContact O-CB 3.38Å; K255-I258 PolarHBondContact O-N 3.48Å; K255-I258 VanDerWaalsContact O-N 3.08Å; K255-Q259 PolarHBondContact O-N 3.21Å; K255-P266 HydrophobicContact CB-CB 3.76Å; K255-P266 HydrophobicContact CB-CG 4.16Å; K255-P266 HydrophobicContact CD-CB 4.1Å; K255-P266 WeakPolarHBondContact CD-O 3.42Å; K255-P266 WeakPolarHBondContact CE-O 3.3Å; K255-P266 PolarHBondContact NZ-O 3.34Å; K255-P266 VanDerWaalsContact NZ-O 3.12Å; K255-Q269 HydrophobicContact CD-CB 4.37Å; K255-Q269 WeakPolarHBondContact CE-O 3.49Å; K255-Q269 HydrophobicContact CG-CB 4.01Å; K255-Q269 PolarHBondContact NZ-O 2.77Å; K255-Q269 PolarHBondContact O-NE2 2.81Å; K255-Q269 PolarHBondContact O-OE1 2.78Å; K255-L271 HydrophobicContact CG-CD1 3.92Å; K255-L271 HydrophobicContact CG-CG 4.48Å; K255-D280 WeakPolarHBondContact CE-OD1 3.22Å; K255-D280 IonicContact NZ-OD1 2.81Å; K255-D280 PolarHBondContact NZ-OD1 2.93Å; K255-D280 IonicContact NZ-OD2 3.85Å; K255-D280 PolarHBondContact NZ-OD2 2.96Å
256A92.4Very high91.5Very high36 Ų3646.5 Ų46.530%0.29826%0.262SS..Hα-helixtrans-57.3-45.4173.300000110.8E252 N253 I258 Q259 D260E252-A256 PolarHBondContact O-N 3.4Å; N253-A256 PolarHBondContact O-N 2.82Å; A256-I258 VanDerWaalsContact C-N 3.26Å; A256-I258 PolarHBondContact O-N 3.06Å; A256-Q259 WeakPolarHBondContact O-CA 3.46Å; A256-Q259 WeakPolarHBondContact O-CB 3.49Å; A256-Q259 PolarHBondContact O-N 3Å; A256-D260 VanDerWaalsContact O-CG 3.3Å; A256-D260 PolarHBondContact O-N 2.81Å
257K93.1Very high91.3Very high48 Ų4847.2 Ų47.221%0.20927%0.267CS..Hα-helixtrans-59.8-32.2175-68.7167.9-173.4-89.20113.5L243 E244 V245 D249 N253 V254 K255 K261L243-K257 HydrophobicContact CD2-CB 4.32Å; E244-K257 PolarHBondContact O-NZ 2.8Å; V245-K257 HydrophobicContact CG1-CD 4.09Å; D249-K257 VanDerWaalsContact OD2-CE 3.27Å; D249-K257 WeakPolarHBondContact OD2-CE 3.35Å; D249-K257 IonicContact OD2-NZ 3.11Å; N253-K257 WeakPolarHBondContact O-CG 3.45Å; N253-K257 PolarHBondContact O-N 2.89Å; V254-K257 WeakPolarHBondContact O-CB 3.4Å; V254-K257 PolarHBondContact O-N 3.14Å; K255-K257 VanDerWaalsContact C-N 3.3Å; K255-K257 PolarHBondContact O-N 3.44Å; K257-K261 WeakPolarHBondContact O-CG 3.38Å; K257-K261 PolarHBondContact O-N 2.63Å
258I93.7Very high91.1Very high0 Ų045.7 Ų45.70%025%0.254CS..Hα-helixtrans-73.7-40.9174.1-66.9162.6000110.6V233 L243 V254 K255 A256 D260 K261 E262 I264 Q269 L271 L297V233-I258 HydrophobicContact CG1-CD1 4.12Å; V233-I258 HydrophobicContact CG2-CD1 4.14Å; L243-I258 HydrophobicContact CD1-CD1 4.05Å; L243-I258 HydrophobicContact CD1-CG1 3.53Å; L243-I258 HydrophobicContact CD2-CG1 4.31Å; L243-I258 HydrophobicContact CG-CG1 4.47Å; V254-I258 HydrophobicContact CG1-CD1 4.28Å; V254-I258 WeakPolarHBondContact O-CG1 3.47Å; V254-I258 PolarHBondContact O-N 3.03Å; V254-I258 VanDerWaalsContact O-N 3.07Å; K255-I258 WeakPolarHBondContact O-CB 3.38Å; K255-I258 PolarHBondContact O-N 3.48Å; K255-I258 VanDerWaalsContact O-N 3.08Å; A256-I258 VanDerWaalsContact C-N 3.26Å; A256-I258 PolarHBondContact O-N 3.06Å; I258-D260 VanDerWaalsContact C-N 3.31Å; I258-D260 PolarHBondContact O-N 2.9Å; I258-K261 PolarHBondContact O-N 3.3Å; I258-E262 HydrophobicContact CG2-CB 4.47Å; I258-E262 WeakPolarHBondContact O-CB 3.47Å; I258-E262 PolarHBondContact O-N 3.49Å; I258-I264 HydrophobicContact CG2-CD1 4.47Å; I258-Q269 VanDerWaalsContact CB-OE1 3.28Å; I258-Q269 HydrophobicContact CG2-CG 4.48Å; I258-L271 HydrophobicContact CD1-CD1 4.02Å; I258-L271 HydrophobicContact CD1-CD2 3.73Å; I258-L271 HydrophobicContact CD1-CG 4.39Å; I258-L297 HydrophobicContact CG2-CD2 4.02Å
259Q91.4Very high91.2Very high50 Ų5042.1 Ų42.123%0.23423%0.229CC..Hα-helixtrans-58.6-45.8174.8-175.9-178.118.100110.5K255 A256 K261 G263 I264 P266 E322K255-Q259 PolarHBondContact O-N 3.21Å; A256-Q259 WeakPolarHBondContact O-CA 3.46Å; A256-Q259 WeakPolarHBondContact O-CB 3.49Å; A256-Q259 PolarHBondContact O-N 3Å; Q259-K261 PolarHBondContact O-N 2.71Å; Q259-G263 WeakPolarHBondContact O-CA 3.08Å; Q259-G263 PolarHBondContact O-N 2.95Å; Q259-I264 VanDerWaalsContact CA-O 3.26Å; Q259-I264 WeakPolarHBondContact CA-O 3.37Å; Q259-I264 WeakPolarHBondContact CB-O 3.37Å; Q259-P266 VanDerWaalsContact CD-CD 3.43Å; Q259-E322 PolarHBondContact NE2-OE2 3.22Å
260D86.7Confident91.1Very high133 Ų13346.2 Ų46.271%0.71124%0.244SC*.Hα-helixtrans-61.2-33.5178.9-65.3-25.4000112.6A256 I258A256-D260 VanDerWaalsContact O-CG 3.3Å; A256-D260 PolarHBondContact O-N 2.81Å; I258-D260 VanDerWaalsContact C-N 3.31Å; I258-D260 PolarHBondContact O-N 2.9Å
261K89.8Confident91.1Very high117 Ų11744.6 Ų44.651%0.50923%0.234SC..Hα-helixtrans-89.1-35.4-178.5-72.9-161.1-176.3-165.40114.7I241 T242 L243 K257 I258 Q259I241-K261 HydrophobicContact CG2-CD 4.35Å; T242-K261 PolarHBondContact O-NZ 3.03Å; L243-K261 HydrophobicContact CD2-CD 3.85Å; K257-K261 WeakPolarHBondContact O-CG 3.38Å; K257-K261 PolarHBondContact O-N 2.63Å; I258-K261 PolarHBondContact O-N 3.3Å; Q259-K261 PolarHBondContact O-N 2.71Å
262E89.7Confident91.1Very high65 Ų6546.5 Ų46.530%0.30424%0.244SC..Hα-helixtrans-122.5-3.4-168.4-62.4-72.7144.100112.9K239 I241 I258 I264K239-E262 WeakPolarHBondContact CE-OE1 3.39Å; K239-E262 IonicContact NZ-OE1 2.99Å; K239-E262 PolarHBondContact NZ-OE1 3.2Å; K239-E262 IonicContact NZ-OE2 2.85Å; K239-E262 PolarHBondContact NZ-OE2 3.5Å; I241-E262 HydrophobicContact CD1-CG 3.63Å; I241-E262 HydrophobicContact CG1-CG 3.94Å; I241-E262 HydrophobicContact CG2-CG 4.36Å; I258-E262 HydrophobicContact CG2-CB 4.47Å; I258-E262 WeakPolarHBondContact O-CB 3.47Å; I258-E262 PolarHBondContact O-N 3.49Å; E262-I264 HydrophobicContact CB-CD1 3.79Å; E262-I264 HydrophobicContact CB-CG1 4.11Å; E262-I264 PolarHBondContact O-N 3.39Å
263G85.3Confident91.2Very high55 Ų5542.9 Ų42.957%0.56723%0.226SC*.  trans71.710.2179.900000114.7Q259 P265Q259-G263 WeakPolarHBondContact O-CA 3.08Å; Q259-G263 PolarHBondContact O-N 2.95Å; G263-P265 WeakPolarHBondContact O-CD 3.43Å
264I86.8Confident91.1Very high26 Ų2643.8 Ų43.813%0.13324%0.243CC..  trans-88.1118.3-175.7-57.7159.6000109.5I258 Q259 E262 Q268 Q269 L297 L299I258-I264 HydrophobicContact CG2-CD1 4.47Å; Q259-I264 VanDerWaalsContact CA-O 3.26Å; Q259-I264 WeakPolarHBondContact CA-O 3.37Å; Q259-I264 WeakPolarHBondContact CB-O 3.37Å; E262-I264 HydrophobicContact CB-CD1 3.79Å; E262-I264 HydrophobicContact CB-CG1 4.11Å; E262-I264 PolarHBondContact O-N 3.39Å; I264-Q268 HydrophobicContact CG2-CB 4.19Å; I264-Q269 HydrophobicContact CB-CG 4.33Å; I264-Q269 HydrophobicContact CG2-CG 3.63Å; I264-Q269 PolarHBondContact O-NE2 3.02Å; I264-L297 HydrophobicContact CD1-CD2 3.99Å; I264-L299 HydrophobicContact CD1-CD2 4.02Å; I264-L299 HydrophobicContact CG1-CD2 4.44Å; I264-L299 HydrophobicContact CG2-CD2 3.6Å
265P86.3Confident90.8Very high7 Ų747.4 Ų47.45%0.04528%0.28CS..  trans-60.3139.7178.8-2838.6000114G263 D267 Q268 Q269G263-P265 WeakPolarHBondContact O-CD 3.43Å; P265-D267 VanDerWaalsContact C-N 3.26Å; P265-D267 WeakPolarHBondContact CB-OD1 3.42Å; P265-D267 PolarHBondContact O-N 3.43Å; P265-D267 VanDerWaalsContact O-N 3.16Å; P265-Q268 HydrophobicContact CB-CG 4.42Å; P265-Q268 WeakPolarHBondContact O-CB 3.06Å; P265-Q268 PolarHBondContact O-N 3.32Å; P265-Q269 WeakPolarHBondContact O-CG 3.46Å; P265-Q269 PolarHBondContact O-N 3.05Å
266P89.2Confident90.7Very high22 Ų2254.2 Ų54.214%0.14331%0.31CS..THydrogen-bonded Turntrans-52.1-33.1-178.3-33.837.2000116.3K255 Q259 Q268 Q269 E322K255-P266 HydrophobicContact CB-CB 3.76Å; K255-P266 HydrophobicContact CB-CG 4.16Å; K255-P266 HydrophobicContact CD-CB 4.1Å; K255-P266 WeakPolarHBondContact CD-O 3.42Å; K255-P266 WeakPolarHBondContact CE-O 3.3Å; K255-P266 PolarHBondContact NZ-O 3.34Å; K255-P266 VanDerWaalsContact NZ-O 3.12Å; Q259-P266 VanDerWaalsContact CD-CD 3.43Å; P266-Q268 VanDerWaalsContact C-N 3.34Å; P266-Q269 PolarHBondContact O-N 3.09Å; P266-E322 WeakPolarHBondContact CD-OE1 3.39Å
267D83.8Confident90.8Very high53 Ų5356.6 Ų56.628%0.28332%0.315SS..THydrogen-bonded Turntrans-69.4-31.1177.963.6-13.3000112.7P265 Q269 R300 G304P265-D267 VanDerWaalsContact C-N 3.26Å; P265-D267 WeakPolarHBondContact CB-OD1 3.42Å; P265-D267 PolarHBondContact O-N 3.43Å; P265-D267 VanDerWaalsContact O-N 3.16Å; D267-Q269 VanDerWaalsContact C-N 3.3Å; D267-R300 PolarHBondContact O-NH1 3.38Å; D267-G304 WeakPolarHBondContact OD2-CA 3.46Å
268Q87.1Confident90.9Very high34 Ų3454.5 Ų54.516%0.15931%0.306CS..THydrogen-bonded Turntrans-76.4-19.1172.2-62.4-173.93.300112.7I264 P265 P266 R270 L299 R300 E320I264-Q268 HydrophobicContact CG2-CB 4.19Å; P265-Q268 HydrophobicContact CB-CG 4.42Å; P265-Q268 WeakPolarHBondContact O-CB 3.06Å; P265-Q268 PolarHBondContact O-N 3.32Å; P266-Q268 VanDerWaalsContact C-N 3.34Å; Q268-R270 PolarHBondContact O-N 2.9Å; Q268-L299 CarbonylContact O-C 3.52Å; Q268-L299 WeakPolarHBondContact O-CA 3.48Å; Q268-R300 PolarHBondContact O-N 3.46Å; Q268-E320 VanDerWaalsContact NE2-CB 3.27Å; Q268-E320 VanDerWaalsContact NE2-CG 3.33Å
269Q92.1Very high91Very high0 Ų059.4 Ų59.40%033%0.329CS..EExtended strand (participates in β ladder)trans-84.1118.4-177-62.2179.339.100112.3K255 I258 I264 P265 P266 D267 L297 R300K255-Q269 HydrophobicContact CD-CB 4.37Å; K255-Q269 WeakPolarHBondContact CE-O 3.49Å; K255-Q269 HydrophobicContact CG-CB 4.01Å; K255-Q269 PolarHBondContact NZ-O 2.77Å; K255-Q269 PolarHBondContact O-NE2 2.81Å; K255-Q269 PolarHBondContact O-OE1 2.78Å; I258-Q269 VanDerWaalsContact CB-OE1 3.28Å; I258-Q269 HydrophobicContact CG2-CG 4.48Å; I264-Q269 HydrophobicContact CB-CG 4.33Å; I264-Q269 HydrophobicContact CG2-CG 3.63Å; I264-Q269 PolarHBondContact O-NE2 3.02Å; P265-Q269 WeakPolarHBondContact O-CG 3.46Å; P265-Q269 PolarHBondContact O-N 3.05Å; P266-Q269 PolarHBondContact O-N 3.09Å; D267-Q269 VanDerWaalsContact C-N 3.3Å; Q269-L297 HydrophobicContact CB-CD1 3.69Å; Q269-L297 HydrophobicContact CG-CD1 3.91Å; Q269-R300 PolarHBondContact O-NH1 3.42Å
270R92.4Very high91.1Very high99 Ų9960.2 Ų60.237%0.37434%0.335SS..EExtended strand (participates in β ladder)trans-108102.7166.9-172.5-178.6-160.6-169.23.8109.4Q268 I272 Q277 V298 R300Q268-R270 PolarHBondContact O-N 2.9Å; R270-I272 HydrophobicContact CG-CG1 4.34Å; R270-Q277 HydrophobicContact CG-CG 4.17Å; R270-Q277 VanDerWaalsContact CZ-OE1 3.23Å; R270-V298 WeakPolarHBondContact CA-O 3.29Å; R270-V298 HydrophobicContact CB-CB 4.2Å; R270-V298 WeakPolarHBondContact CB-O 3.31Å; R270-V298 PolarHBondContact N-O 3.21Å; R270-V298 PolarHBondContact O-N 3.5Å; R270-R300 HydrophobicContact CB-CG 4.35Å
271L95.7Very high91.4Very high1 Ų157.3 Ų57.31%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-86.4134.2175-63.9177.5000110.7V233 I251 V254 K255 I258 L278 L295 H296 L297V233-L271 HydrophobicContact CG1-CD2 4.03Å; I251-L271 HydrophobicContact CG2-CD1 4.21Å; V254-L271 HydrophobicContact CB-CD1 4.37Å; V254-L271 HydrophobicContact CG1-CD1 3.79Å; K255-L271 HydrophobicContact CG-CD1 3.92Å; K255-L271 HydrophobicContact CG-CG 4.48Å; I258-L271 HydrophobicContact CD1-CD1 4.02Å; I258-L271 HydrophobicContact CD1-CD2 3.73Å; I258-L271 HydrophobicContact CD1-CG 4.39Å; L271-L278 HydrophobicContact CB-CB 4.25Å; L271-L278 HydrophobicContact CB-CD1 3.99Å; L271-L278 HydrophobicContact CB-CG 4.34Å; L271-L278 PolarHBondContact O-N 3.14Å; L271-L295 HydrophobicContact CD1-CD2 4.32Å; L271-H296 CarbonylContact C-O 3.47Å; L271-H296 WeakPolarHBondContact CA-O 3.44Å; L271-L297 HydrophobicContact CD2-CB 4.1Å; L271-L297 HydrophobicContact CD2-CD1 3.85Å
272I96.1Very high91.7Very high40 Ų4056.9 Ų56.921%0.20533%0.331CS..EExtended strand (participates in β ladder)trans-129.5130.8-179-57.4171.5000108.5R270 K276 H296 V298R270-I272 HydrophobicContact CG-CG1 4.34Å; I272-K276 CarbonylContact C-O 3.56Å; I272-K276 VanDerWaalsContact CA-O 3.28Å; I272-K276 WeakPolarHBondContact CA-O 3.49Å; I272-K276 WeakPolarHBondContact CG2-O 3.41Å; I272-H296 HydrophobicContact CB-CB 4.34Å; I272-H296 PolarHBondContact N-O 2.76Å; I272-H296 PolarHBondContact O-N 2.91Å; I272-V298 HydrophobicContact CD1-CG2 3.91Å
273F97.2Very high92Very high42 Ų4255.1 Ų55.118%0.18433%0.325CS..EExtended strand (participates in β ladder)trans-134.9136.1173.5-177.1-113000109.7G275 K276 L278 I289 T294 L295F273-G275 PolarHBondContact O-N 2.81Å; F273-G275 VanDerWaalsContact O-N 3.08Å; F273-K276 PolarHBondContact N-O 2.96Å; F273-K276 PolarHBondContact O-N 3.38Å; F273-L278 HydrophobicContact CB-CD1 4.09Å; F273-L278 HydrophobicContact CB-CD2 3.92Å; F273-L278 HydrophobicContact CB-CG 4.27Å; F273-I289 HydrophobicContact CB-CD1 4.36Å; F273-I289 HydrophobicContact CD1-CD1 4.1Å; F273-I289 HydrophobicContact CD1-CG1 3.56Å; F273-I289 HydrophobicContact CD2-CG1 4.37Å; F273-I289 HydrophobicContact CE1-CG1 3.63Å; F273-I289 HydrophobicContact CE2-CG1 4.44Å; F273-I289 HydrophobicContact CG-CD1 4.17Å; F273-I289 HydrophobicContact CG-CG1 3.95Å; F273-I289 HydrophobicContact CZ-CG1 4.09Å; F273-T294 WeakPolarHBondContact CD2-O 3.28Å; F273-L295 HydrophobicContact CB-CG 4.3Å; F273-L295 HydrophobicContact CD2-CD1 4.09Å; F273-L295 HydrophobicContact CD2-CG 4.39Å
274A92.4Very high92.5Very high88 Ų8852.5 Ų52.573%0.72730%0.298SS*.THydrogen-bonded Turntrans47.639.5-177.800000113.8K276A274-K276 PolarHBondContact O-N 2.81Å
275G90.5Very high92.9Very high75 Ų7553.7 Ų53.777%0.77331%0.309SS*.THydrogen-bonded Turntrans75.6-1.4-179.200000115.7F273F273-G275 PolarHBondContact O-N 2.81Å; F273-G275 VanDerWaalsContact O-N 3.08Å
276K93.7Very high93.3Very high148 Ų14857.9 Ų57.964%0.64333%0.331SS*.EExtended strand (participates in β ladder)trans-103.5137.7178.3-65.7-176.6-179.6178.30111I272 F273 A274I272-K276 CarbonylContact C-O 3.56Å; I272-K276 VanDerWaalsContact CA-O 3.28Å; I272-K276 WeakPolarHBondContact CA-O 3.49Å; I272-K276 WeakPolarHBondContact CG2-O 3.41Å; F273-K276 PolarHBondContact N-O 2.96Å; F273-K276 PolarHBondContact O-N 3.38Å; A274-K276 PolarHBondContact O-N 2.81Å
277Q93.4Very high93.7Very high86 Ų8658.5 Ų58.540%0.40233%0.33SS..EExtended strand (participates in β ladder)trans-70.4133.1168.5177.8178.2-27.900109.1R270 R300R270-Q277 HydrophobicContact CG-CG 4.17Å; R270-Q277 VanDerWaalsContact CZ-OE1 3.23Å; Q277-R300 VanDerWaalsContact NE2-NH2 3.16Å
278L96.6Very high94.2Very high4 Ų461.8 Ų61.82%0.02135%0.348CS..PPolyproline II helixtrans-82.4137.2177.8-56.9-174.5000110.4I251 L271 F273 Y287 I289 L295I251-L278 HydrophobicContact CD1-CB 3.92Å; I251-L278 HydrophobicContact CD1-CD1 3.6Å; I251-L278 HydrophobicContact CD1-CG 4.28Å; I251-L278 HydrophobicContact CG1-CB 3.89Å; I251-L278 HydrophobicContact CG1-CD1 4.49Å; I251-L278 HydrophobicContact CG2-CB 3.85Å; L271-L278 HydrophobicContact CB-CB 4.25Å; L271-L278 HydrophobicContact CB-CD1 3.99Å; L271-L278 HydrophobicContact CB-CG 4.34Å; L271-L278 PolarHBondContact O-N 3.14Å; F273-L278 HydrophobicContact CB-CD1 4.09Å; F273-L278 HydrophobicContact CB-CD2 3.92Å; F273-L278 HydrophobicContact CB-CG 4.27Å; L278-Y287 HydrophobicContact CB-CE2 4.32Å; L278-Y287 HydrophobicContact CD2-CD1 3.61Å; L278-Y287 HydrophobicContact CD2-CD2 3.7Å; L278-Y287 HydrophobicContact CD2-CE1 3.69Å; L278-Y287 HydrophobicContact CD2-CE2 3.77Å; L278-Y287 HydrophobicContact CD2-CG 3.61Å; L278-I289 HydrophobicContact CD1-CD1 3.93Å; L278-L295 HydrophobicContact CD1-CD2 3.54Å; L278-L295 HydrophobicContact CD1-CG 4.11Å
279E95.3Very high94.5Very high103 Ų10360.2 Ų60.248%0.48134%0.341SS..PPolyproline II helixtrans-96.5134.9179.4-64.7169.1-170.500110.7I251 G281 R282 Y287I251-E279 WeakPolarHBondContact CB-O 3.26Å; I251-E279 VanDerWaalsContact CG1-O 3.31Å; I251-E279 WeakPolarHBondContact CG1-O 3.45Å; E279-G281 VanDerWaalsContact C-N 3.34Å; E279-G281 PolarHBondContact O-N 2.68Å; E279-R282 HydrophobicContact CB-CG 4.35Å; E279-R282 PolarHBondContact O-N 2.85Å; E279-R282 VanDerWaalsContact O-N 3.14Å; E279-R282 IonicContact OE1-NH2 2.81Å; E279-R282 IonicContact OE2-CZ 3.72Å; E279-R282 VanDerWaalsContact OE2-CZ 3.31Å; E279-R282 IonicContact OE2-NE 2.81Å; E279-R282 PolarHBondContact OE2-NE 2.82Å; E279-R282 IonicContact OE2-NH2 2.62Å; E279-R282 PolarHBondContact OE2-NH2 2.81Å; E279-Y287 WeakPolarHBondContact CB-OH 3.46Å; E279-Y287 PolarHBondContact N-OH 2.83Å
280D93Very high94.6Very high67 Ų6765.7 Ų65.736%0.35837%0.366SS..THydrogen-bonded Turntrans-57.7-40.6-169.6-67.9-3.2000113.6I251 E252 K255 R282I251-D280 PolarHBondContact N-O 3.21Å; E252-D280 HydrophobicContact CB-CB 4.29Å; E252-D280 PolarHBondContact N-O 2.81Å; K255-D280 WeakPolarHBondContact CE-OD1 3.22Å; K255-D280 IonicContact NZ-OD1 2.81Å; K255-D280 PolarHBondContact NZ-OD1 2.93Å; K255-D280 IonicContact NZ-OD2 3.85Å; K255-D280 PolarHBondContact NZ-OD2 2.96Å; D280-R282 VanDerWaalsContact C-N 3.31Å; D280-R282 PolarHBondContact O-N 2.79Å
281G93.9Very high94.5Very high72 Ų7266.4 Ų66.474%0.74237%0.372SS*.THydrogen-bonded Turntrans-80.3-0.6-177.900000115.9E279E279-G281 VanDerWaalsContact C-N 3.34Å; E279-G281 PolarHBondContact O-N 2.68Å
282R96.4Very high94.4Very high108 Ų10872.6 Ų72.641%0.40840%0.401SS..SBendtrans-97.5157.1175.5-65.6-159.1-155-164.4-0.5111T250 I251 E279 D280 D286 Y287T250-R282 CarbonylContact C-O 3.58Å; T250-R282 VanDerWaalsContact CA-O 3.26Å; T250-R282 WeakPolarHBondContact CA-O 3.47Å; I251-R282 WeakPolarHBondContact CG1-O 3.39Å; I251-R282 PolarHBondContact N-O 2.81Å; E279-R282 HydrophobicContact CB-CG 4.35Å; E279-R282 PolarHBondContact O-N 2.85Å; E279-R282 VanDerWaalsContact O-N 3.14Å; E279-R282 IonicContact OE1-NH2 2.81Å; E279-R282 IonicContact OE2-CZ 3.72Å; E279-R282 VanDerWaalsContact OE2-CZ 3.31Å; E279-R282 IonicContact OE2-NE 2.81Å; E279-R282 PolarHBondContact OE2-NE 2.82Å; E279-R282 IonicContact OE2-NH2 2.62Å; E279-R282 PolarHBondContact OE2-NH2 2.81Å; D280-R282 VanDerWaalsContact C-N 3.31Å; D280-R282 PolarHBondContact O-N 2.79Å; R282-D286 HydrophobicContact CB-CB 4.26Å; R282-Y287 HydrophobicContact CB-CD2 4.37Å; R282-Y287 HydrophobicContact CB-CE2 3.54Å; R282-Y287 WeakPolarHBondContact CD-OH 3.36Å; R282-Y287 HydrophobicContact CG-CE2 4.33Å
283T95.7Very high94.4Very high27 Ų2771.7 Ų71.717%0.16640%0.398CS..BIsolated β-bridgetrans-89.5163.8177.668.20000112.4S248 D249 T250 S285 D286 Y287S248-T283 WeakPolarHBondContact O-CG2 3.04Å; D249-T283 CarbonylContact O-C 3.57Å; D249-T283 WeakPolarHBondContact O-CA 3.39Å; T250-T283 HydrophobicContact CG2-CG2 4.46Å; T283-S285 PolarHBondContact O-N 3.26Å; T283-S285 PolarHBondContact OG1-OG 2.89Å; T283-D286 PolarHBondContact N-OD2 2.66Å; T283-D286 WeakPolarHBondContact O-CB 3.13Å; T283-D286 PolarHBondContact O-N 2.66Å; T283-D286 PolarHBondContact OG1-N 2.88Å; T283-D286 VanDerWaalsContact OG1-N 3.17Å; T283-D286 PolarHBondContact OG1-OD2 2.72Å; T283-Y287 WeakPolarHBondContact O-CD2 3.27Å
284L95.4Very high94.4Very high0 Ų071.8 Ų71.80%040%0.402CS..THydrogen-bonded Turntrans-58.1-38.5170-71.9-178000111.9I231 V245 D249 I251 V254 D286 Y287 N288 I289I231-L284 HydrophobicContact CD1-CD1 4.24Å; I231-L284 HydrophobicContact CD1-CD2 4.38Å; V245-L284 HydrophobicContact CB-CD1 3.52Å; V245-L284 HydrophobicContact CG1-CD1 4.06Å; V245-L284 HydrophobicContact CG2-CD1 3.39Å; D249-L284 HydrophobicContact CB-CD1 4.22Å; D249-L284 HydrophobicContact CB-CG 4.48Å; D249-L284 PolarHBondContact O-N 2.79Å; I251-L284 HydrophobicContact CD1-CD2 3.87Å; V254-L284 HydrophobicContact CG2-CD1 3.92Å; V254-L284 HydrophobicContact CG2-CD2 3.93Å; V254-L284 HydrophobicContact CG2-CG 3.97Å; L284-D286 VanDerWaalsContact C-N 3.34Å; L284-D286 PolarHBondContact O-N 2.81Å; L284-Y287 PolarHBondContact O-N 3.22Å; L284-N288 PolarHBondContact O-N 2.96Å; L284-I289 HydrophobicContact CB-CB 4.24Å; L284-I289 HydrophobicContact CD2-CB 4.12Å; L284-I289 HydrophobicContact CD2-CD1 3.46Å; L284-I289 VanDerWaalsContact CD2-CD1 3.46Å; L284-I289 HydrophobicContact CD2-CG1 4.38Å; L284-I289 HydrophobicContact CD2-CG2 4.07Å; L284-I289 PolarHBondContact O-N 2.87Å
285S94.6Very high94.6Very high52 Ų5267.6 Ų67.636%0.36437%0.368SS..G310 helixtrans-63.9-35.9177.372.30000113P247 T283 Y287 N288P247-S285 WeakPolarHBondContact O-CB 3.45Å; P247-S285 PolarHBondContact O-N 3.36Å; P247-S285 PolarHBondContact O-OG 2.74Å; T283-S285 PolarHBondContact O-N 3.26Å; T283-S285 PolarHBondContact OG1-OG 2.89Å; S285-Y287 PolarHBondContact O-N 3.48Å; S285-N288 WeakPolarHBondContact O-CA 3.44Å; S285-N288 PolarHBondContact O-N 2.87Å
286D95.8Very high94.9Very high94 Ų9468.8 Ų68.850%0.50335%0.353SS..G310 helixtrans-61.3-28.7176.7-66.1-45.4000112.5R282 T283 L284R282-D286 HydrophobicContact CB-CB 4.26Å; T283-D286 PolarHBondContact N-OD2 2.66Å; T283-D286 WeakPolarHBondContact O-CB 3.13Å; T283-D286 PolarHBondContact O-N 2.66Å; T283-D286 PolarHBondContact OG1-N 2.88Å; T283-D286 VanDerWaalsContact OG1-N 3.17Å; T283-D286 PolarHBondContact OG1-OD2 2.72Å; L284-D286 VanDerWaalsContact C-N 3.34Å; L284-D286 PolarHBondContact O-N 2.81Å
287Y96Very high94.9Very high36 Ų3661.9 Ų61.914%0.14132%0.323CS..G310 helixtrans-94.15175.3-67.3-74000113.5I251 L278 E279 R282 T283 L284 S285 I289I251-Y287 HydrophobicContact CD1-CD2 4.31Å; I251-Y287 HydrophobicContact CD1-CE2 4.37Å; I251-Y287 HydrophobicContact CG1-CD2 4.42Å; I251-Y287 HydrophobicContact CG1-CE2 4.02Å; L278-Y287 HydrophobicContact CB-CE2 4.32Å; L278-Y287 HydrophobicContact CD2-CD1 3.61Å; L278-Y287 HydrophobicContact CD2-CD2 3.7Å; L278-Y287 HydrophobicContact CD2-CE1 3.69Å; L278-Y287 HydrophobicContact CD2-CE2 3.77Å; L278-Y287 HydrophobicContact CD2-CG 3.61Å; E279-Y287 WeakPolarHBondContact CB-OH 3.46Å; E279-Y287 PolarHBondContact N-OH 2.83Å; R282-Y287 HydrophobicContact CB-CD2 4.37Å; R282-Y287 HydrophobicContact CB-CE2 3.54Å; R282-Y287 WeakPolarHBondContact CD-OH 3.36Å; R282-Y287 HydrophobicContact CG-CE2 4.33Å; T283-Y287 WeakPolarHBondContact O-CD2 3.27Å; L284-Y287 PolarHBondContact O-N 3.22Å; S285-Y287 PolarHBondContact O-N 3.48Å; Y287-I289 PolarHBondContact O-N 2.84Å
288N94.4Very high94.8Very high122 Ų12259.5 Ų59.565%0.65231%0.314SS*.THydrogen-bonded Turntrans50.734.4-171.9-64.7-56.6000112.6L284 S285 Q290L284-N288 PolarHBondContact O-N 2.96Å; S285-N288 WeakPolarHBondContact O-CA 3.44Å; S285-N288 PolarHBondContact O-N 2.87Å; N288-Q290 PolarHBondContact O-N 2.9Å
289I94.8Very high94.3Very high1 Ų163.6 Ų63.61%0.00534%0.336CS..  trans-70.5126172.8-66.1165.8000106.4M229 I231 F273 L278 L284 Y287 L295M229-I289 HydrophobicContact CE-CG2 4.41Å; M229-I289 VanDerWaalsContact CE-O 3.29Å; M229-I289 WeakPolarHBondContact CE-O 3.44Å; I231-I289 HydrophobicContact CG2-CG2 3.97Å; F273-I289 HydrophobicContact CB-CD1 4.36Å; F273-I289 HydrophobicContact CD1-CD1 4.1Å; F273-I289 HydrophobicContact CD1-CG1 3.56Å; F273-I289 HydrophobicContact CD2-CG1 4.37Å; F273-I289 HydrophobicContact CE1-CG1 3.63Å; F273-I289 HydrophobicContact CE2-CG1 4.44Å; F273-I289 HydrophobicContact CG-CD1 4.17Å; F273-I289 HydrophobicContact CG-CG1 3.95Å; F273-I289 HydrophobicContact CZ-CG1 4.09Å; L278-I289 HydrophobicContact CD1-CD1 3.93Å; L284-I289 HydrophobicContact CB-CB 4.24Å; L284-I289 HydrophobicContact CD2-CB 4.12Å; L284-I289 HydrophobicContact CD2-CD1 3.46Å; L284-I289 VanDerWaalsContact CD2-CD1 3.46Å; L284-I289 HydrophobicContact CD2-CG1 4.38Å; L284-I289 HydrophobicContact CD2-CG2 4.07Å; L284-I289 PolarHBondContact O-N 2.87Å; Y287-I289 PolarHBondContact O-N 2.84Å; I289-L295 HydrophobicContact CD1-CD1 4.16Å; I289-L295 HydrophobicContact CD1-CD2 4.34Å; I289-L295 HydrophobicContact CD1-CG 4.44Å; I289-L295 HydrophobicContact CG2-CD1 4.01Å
290Q93Very high93.6Very high114 Ų11462.1 Ų62.153%0.53333%0.326SS..  trans-112.1171-177.2-61.9-58.1-37.600110.8N288 E292 S293N288-Q290 PolarHBondContact O-N 2.9Å; Q290-E292 PolarHBondContact O-N 3.22Å; Q290-S293 PolarHBondContact N-OG 3.01Å; Q290-S293 WeakPolarHBondContact O-CB 3.3Å; Q290-S293 PolarHBondContact O-N 3.06Å; Q290-S293 PolarHBondContact O-OG 3.06Å
291K91.1Very high92.4Very high114 Ų11466.2 Ų66.250%0.49635%0.347SS..THydrogen-bonded Turntrans-48.7139.4169-167.6179.5179.6173.50110.9M229 S293M229-K291 HydrophobicContact CG-CB 4.18Å; K291-S293 PolarHBondContact O-N 3.11Å
292E92.4Very high91.1Very high131 Ų13173.1 Ų73.161%0.61235%0.351SS*.THydrogen-bonded Turntrans63.89.1-176.6-65.9168.1-165.900115.5Q230 F232 Q290Q230-E292 WeakPolarHBondContact O-CA 3.35Å; Q230-E292 PolarHBondContact O-N 3.39Å; F232-E292 HydrophobicContact CE2-CB 3.99Å; F232-E292 HydrophobicContact CE2-CG 4.07Å; Q290-E292 PolarHBondContact O-N 3.22Å
293S97.1Very high89.5Confident21 Ų2170 Ų7015%0.14735%0.352CS..  trans-62.9146.9173.2-66.30000111.5I231 F232 Q290 K291I231-S293 WeakPolarHBondContact CA-O 3.43Å; F232-S293 PolarHBondContact N-O 3.32Å; Q290-S293 PolarHBondContact N-OG 3.01Å; Q290-S293 WeakPolarHBondContact O-CB 3.3Å; Q290-S293 PolarHBondContact O-N 3.06Å; Q290-S293 PolarHBondContact O-OG 3.06Å; K291-S293 PolarHBondContact O-N 3.11Å
294T96.3Very high88.5Confident45 Ų4568.9 Ų68.928%0.27635%0.345SS..EExtended strand (participates in β ladder)trans-111.2118.3177.3-57.40000111.4F232 K234 F273F232-T294 HydrophobicContact CB-CG2 4.27Å; F232-T294 CarbonylContact O-C 3.59Å; F232-T294 VanDerWaalsContact O-CA 3.28Å; F232-T294 WeakPolarHBondContact O-CA 3.24Å; K234-T294 HydrophobicContact CB-CG2 4.26Å; K234-T294 HydrophobicContact CD-CG2 3.75Å; K234-T294 HydrophobicContact CG-CG2 3.69Å; F273-T294 WeakPolarHBondContact CD2-O 3.28Å
295L97.3Very high88.1Confident0 Ų070.1 Ų70.10%035%0.352CS..EExtended strand (participates in β ladder)trans-92.2155.3169.2-74.863.2000109.4I231 F232 V233 K234 L271 F273 L278 I289I231-L295 HydrophobicContact CD1-CD1 4.06Å; I231-L295 HydrophobicContact CD1-CD2 4.26Å; F232-L295 PolarHBondContact O-N 3.31Å; V233-L295 CarbonylContact C-O 3.48Å; V233-L295 WeakPolarHBondContact CA-O 3.16Å; V233-L295 HydrophobicContact CG2-CB 4.31Å; K234-L295 PolarHBondContact N-O 2.81Å; L271-L295 HydrophobicContact CD1-CD2 4.32Å; F273-L295 HydrophobicContact CB-CG 4.3Å; F273-L295 HydrophobicContact CD2-CD1 4.09Å; F273-L295 HydrophobicContact CD2-CG 4.39Å; L278-L295 HydrophobicContact CD1-CD2 3.54Å; L278-L295 HydrophobicContact CD1-CG 4.11Å; I289-L295 HydrophobicContact CD1-CD1 4.16Å; I289-L295 HydrophobicContact CD1-CD2 4.34Å; I289-L295 HydrophobicContact CD1-CG 4.44Å; I289-L295 HydrophobicContact CG2-CD1 4.01Å
296H96.6Very high87.9Confident99 Ų9970.1 Ų70.146%0.45835%0.346SS..EExtended strand (participates in β ladder)trans-108.4129172.6-65.175.8000109.6K234 L271 I272K234-H296 CarbonylContact O-C 3.59Å; K234-H296 WeakPolarHBondContact O-CA 3.08Å; L271-H296 CarbonylContact C-O 3.47Å; L271-H296 WeakPolarHBondContact CA-O 3.44Å; I272-H296 HydrophobicContact CB-CB 4.34Å; I272-H296 PolarHBondContact N-O 2.76Å; I272-H296 PolarHBondContact O-N 2.91Å
297L94.5Very high87.8Confident3 Ų365.7 Ų65.72%0.01632%0.322CS..EExtended strand (participates in β ladder)trans-101120.2175.3175.662.4000110V233 K234 T235 I258 I264 Q269 L271 L299V233-L297 HydrophobicContact CG1-CB 3.5Å; V233-L297 VanDerWaalsContact CG1-CB 3.5Å; V233-L297 HydrophobicContact CG1-CD2 4.34Å; V233-L297 HydrophobicContact CG1-CG 4.5Å; K234-L297 PolarHBondContact O-N 3.12Å; T235-L297 HydrophobicContact CG2-CD2 4.41Å; I258-L297 HydrophobicContact CG2-CD2 4.02Å; I264-L297 HydrophobicContact CD1-CD2 3.99Å; Q269-L297 HydrophobicContact CB-CD1 3.69Å; Q269-L297 HydrophobicContact CG-CD1 3.91Å; L271-L297 HydrophobicContact CD2-CB 4.1Å; L271-L297 HydrophobicContact CD2-CD1 3.85Å; L297-L299 HydrophobicContact CD1-CD2 4.46Å; L297-L299 HydrophobicContact CD2-CD2 4.34Å; L297-L299 HydrophobicContact CG-CD2 4.28Å
298V90.7Very high87.8Confident37 Ų3766.4 Ų66.422%0.22433%0.326CS..EExtended strand (participates in β ladder)trans-112.5128.6171177.90000108.3L236 R270 I272L236-V298 HydrophobicContact CD1-CG1 4.22Å; L236-V298 HydrophobicContact CD1-CG2 4.42Å; L236-V298 HydrophobicContact CD2-CG2 4.21Å; L236-V298 HydrophobicContact CG-CG2 4.38Å; R270-V298 WeakPolarHBondContact CA-O 3.29Å; R270-V298 HydrophobicContact CB-CB 4.2Å; R270-V298 WeakPolarHBondContact CB-O 3.31Å; R270-V298 PolarHBondContact N-O 3.21Å; R270-V298 PolarHBondContact O-N 3.5Å; I272-V298 HydrophobicContact CD1-CG2 3.91Å
299L86.8Confident87.9Confident89 Ų8960.6 Ų60.647%0.46630%0.295SS..EExtended strand (participates in β ladder)trans-81.7130.9177.9-58.4-178000110.6I264 Q268 L297I264-L299 HydrophobicContact CD1-CD2 4.02Å; I264-L299 HydrophobicContact CG1-CD2 4.44Å; I264-L299 HydrophobicContact CG2-CD2 3.6Å; Q268-L299 CarbonylContact O-C 3.52Å; Q268-L299 WeakPolarHBondContact O-CA 3.48Å; L297-L299 HydrophobicContact CD1-CD2 4.46Å; L297-L299 HydrophobicContact CD2-CD2 4.34Å; L297-L299 HydrophobicContact CG-CD2 4.28Å
300R80.3Confident88Confident73 Ų7364.6 Ų64.628%0.27531%0.312SS..  trans-84.7121.1169.1-59.8-170.3-176.284.24.4108.9D267 Q268 Q269 R270 Q277 R302D267-R300 PolarHBondContact O-NH1 3.38Å; Q268-R300 PolarHBondContact O-N 3.46Å; Q269-R300 PolarHBondContact O-NH1 3.42Å; R270-R300 HydrophobicContact CB-CG 4.35Å; Q277-R300 VanDerWaalsContact NE2-NH2 3.16Å; R300-R302 PolarHBondContact O-N 3.15Å
301L67.5Low87.8Confident153 Ų15360.6 Ų60.680%0.80130%0.296SS*.SBendtrans-76.9-14.7-177.7-66.1171.9000114.9
302R66Low87.4Confident217 Ų21762 Ų6282%0.81931%0.308SS*.SBendtrans-141.818.4-169-61.2-169-68.3-161.1-0.9114.3R300R300-R302 PolarHBondContact O-N 3.15Å
303G63.3Low87Confident43 Ų4361.9 Ų61.944%0.44332%0.316SS..  trans-83.9-24.9-173.600000114.4
304G73.6Confident86.3Confident2 Ų263.5 Ų63.52%0.02134%0.336CS..SBendtrans-89.3172.3-165.600000116.4D267 Q306 E320D267-G304 WeakPolarHBondContact OD2-CA 3.46Å; G304-Q306 PolarHBondContact O-N 2.88Å; G304-E320 WeakPolarHBondContact CA-OE2 3.38Å
305M88.6Confident86Confident27 Ų2766.2 Ų66.213%0.13334%0.344CS..EExtended strand (participates in β ladder)trans-74.1101.9167.2168.9172159.600108.3I307 V321 P323 L360 I365 K367M305-I307 HydrophobicContact CE-CG2 4.08Å; M305-V321 WeakPolarHBondContact CB-O 3.47Å; M305-V321 HydrophobicContact CE-CG2 4.16Å; M305-V321 HydrophobicContact CG-CG2 4.12Å; M305-V321 WeakPolarHBondContact O-CG2 3.45Å; M305-V321 PolarHBondContact O-N 3.49Å; M305-V321 VanDerWaalsContact O-O 3.07Å; M305-P323 HydrophobicContact SD-CG 3.83Å; M305-L360 HydrophobicContact CE-CD1 4.44Å; M305-I365 HydrophobicContact CE-CG2 4.4Å; M305-I365 WeakPolarHBondContact CE-O 3.49Å; M305-K367 HydrophobicContact CG-CB 4.11Å
306Q89Confident85.8Confident52 Ų5269.2 Ų69.224%0.24336%0.362CS..EExtended strand (participates in β ladder)trans-84.9137.2173.1-71.3179.18.700110.3G304 T318 L319 E320 E368G304-Q306 PolarHBondContact O-N 2.88Å; Q306-T318 HydrophobicContact CB-CG2 4.28Å; Q306-T318 HydrophobicContact CG-CG2 4.26Å; Q306-L319 CarbonylContact C-O 3.48Å; Q306-L319 VanDerWaalsContact CA-O 3.25Å; Q306-L319 WeakPolarHBondContact CA-O 3.27Å; Q306-E320 VanDerWaalsContact CD-OE1 3.25Å; Q306-E320 HydrophobicContact CG-CG 4.35Å; Q306-E320 WeakPolarHBondContact CG-OE1 3.4Å; Q306-E320 WeakPolarHBondContact CG-OE2 3.21Å; Q306-E320 PolarHBondContact NE2-OE1 2.89Å; Q306-E368 WeakPolarHBondContact O-CA 3.46Å; Q306-E368 PolarHBondContact O-N 2.94Å
307I94.1Very high85.5Confident0 Ų064.8 Ų64.80%034%0.342CS..EExtended strand (participates in β ladder)trans-122.2163.4164.565169.6000109.6M305 L319 V321 V330 L360 I365 L371M305-I307 HydrophobicContact CE-CG2 4.08Å; I307-L319 HydrophobicContact CG1-CB 4Å; I307-L319 PolarHBondContact N-O 2.93Å; I307-L319 PolarHBondContact O-N 2.91Å; I307-V321 HydrophobicContact CB-CG2 4.28Å; I307-V321 HydrophobicContact CD1-CG1 3.9Å; I307-V321 HydrophobicContact CD1-CG2 3.96Å; I307-V321 HydrophobicContact CG1-CG1 3.97Å; I307-V321 HydrophobicContact CG1-CG2 3.76Å; I307-V321 HydrophobicContact CG2-CG2 3.69Å; I307-V330 HydrophobicContact CD1-CG1 4.36Å; I307-L360 HydrophobicContact CD1-CD1 4.25Å; I307-L360 HydrophobicContact CD1-CD2 4.39Å; I307-I365 HydrophobicContact CG2-CG2 3.96Å; I307-L371 HydrophobicContact CD1-CD1 4.09Å; I307-L371 HydrophobicContact CD1-CD2 4.19Å
308F96.1Very high85.4Confident51 Ų5167.3 Ų67.322%0.22436%0.357CS..EExtended strand (participates in β ladder)trans-113.6140.8178-56.5-73.9000110.3T316 I317 T318 E368 S369 T370 L371F308-T316 HydrophobicContact CB-CG2 3.81Å; F308-T316 HydrophobicContact CD1-CG2 3.96Å; F308-T316 HydrophobicContact CG-CG2 4.22Å; F308-I317 CarbonylContact C-O 3.56Å; F308-I317 WeakPolarHBondContact CA-O 3.31Å; F308-T318 HydrophobicContact CD1-CG2 4.31Å; F308-T318 HydrophobicContact CE1-CG2 4.04Å; F308-E368 WeakPolarHBondContact CD2-O 3.28Å; F308-E368 HydrophobicContact CE2-CB 3.93Å; F308-E368 HydrophobicContact CE2-CG 4.01Å; F308-S369 PolarHBondContact N-O 2.94Å; F308-T370 HydrophobicContact CB-CG2 4.28Å; F308-T370 CarbonylContact O-C 3.52Å; F308-T370 VanDerWaalsContact O-CA 3.28Å; F308-T370 WeakPolarHBondContact O-CA 3.47Å; F308-L371 PolarHBondContact O-N 3.07Å
309V96.6Very high85.4Confident0 Ų065.5 Ų65.50%035%0.347CS..EExtended strand (participates in β ladder)trans-120.6111.4174.1-178.30000108.2I317 L319 I334 L347 L371 L373V309-I317 HydrophobicContact CB-CB 4.3Å; V309-I317 PolarHBondContact N-O 2.85Å; V309-I317 PolarHBondContact O-N 2.76Å; V309-L319 HydrophobicContact CG2-CD1 3.51Å; V309-L319 HydrophobicContact CG2-CG 4.12Å; V309-I334 HydrophobicContact CG1-CD1 4.11Å; V309-I334 HydrophobicContact CG2-CD1 4.15Å; V309-L347 HydrophobicContact CG1-CD2 4.01Å; V309-L371 CarbonylContact C-O 3.59Å; V309-L371 WeakPolarHBondContact CA-O 3.25Å; V309-L371 HydrophobicContact CG2-CB 4.3Å; V309-L373 HydrophobicContact CG1-CB 3.49Å; V309-L373 VanDerWaalsContact CG1-CB 3.49Å; V309-L373 HydrophobicContact CG1-CD2 4.34Å; V309-L373 HydrophobicContact CG1-CG 4.49Å
310K96.2Very high85.5Confident86 Ų8663 Ų6337%0.37433%0.332SS..EExtended strand (participates in β ladder)trans-92.8126.5177.9-76.2-172.1-178.6-179.60110.9K315 T316 T370 L371 H372 L373K310-K315 WeakPolarHBondContact CA-O 2.98Å; K310-T316 HydrophobicContact CG-CG2 4.12Å; K310-T316 WeakPolarHBondContact CG-OG1 3.49Å; K310-T370 HydrophobicContact CB-CG2 4.2Å; K310-T370 HydrophobicContact CD-CG2 3.75Å; K310-T370 HydrophobicContact CG-CG2 3.68Å; K310-L371 PolarHBondContact N-O 3.12Å; K310-H372 CarbonylContact O-C 3.6Å; K310-H372 WeakPolarHBondContact O-CA 3.5Å; K310-L373 PolarHBondContact O-N 2.9Å
311T89.7Confident86Confident29 Ų2959.6 Ų59.618%0.17832%0.32CS..EExtended strand (participates in β ladder)trans-82.216417164.70000110.8T313 G314 K315 I317 L373T311-T313 PolarHBondContact O-N 2.72Å; T311-T313 PolarHBondContact OG1-OG1 3.44Å; T311-G314 PolarHBondContact O-N 3.27Å; T311-K315 PolarHBondContact N-O 3.19Å; T311-K315 WeakPolarHBondContact OG1-CB 3.43Å; T311-K315 PolarHBondContact OG1-N 3.1Å; T311-K315 PolarHBondContact OG1-O 3.18Å; T311-K315 VanDerWaalsContact OG1-O 3.05Å; T311-I317 HydrophobicContact CG2-CD1 3.95Å; T311-L373 HydrophobicContact CG2-CD2 4.39Å
312L83Confident87Confident144 Ų14453.9 Ų53.975%0.75429%0.289SS*.THydrogen-bonded Turntrans-63.2-21.5175.7-67.2177.3000113.9G314 V374L312-G314 PolarHBondContact O-N 3.03Å; L312-V374 HydrophobicContact CD1-CG1 4.24Å; L312-V374 HydrophobicContact CD1-CG2 4.42Å; L312-V374 HydrophobicContact CD2-CG2 4.25Å; L312-V374 HydrophobicContact CG-CG2 4.4Å
313T82.9Confident88.2Confident129 Ų12946.7 Ų46.779%0.79127%0.27SS*.THydrogen-bonded Turntrans-80.5-5.3175.962.90000112.7T311T311-T313 PolarHBondContact O-N 2.72Å; T311-T313 PolarHBondContact OG1-OG1 3.44Å
314G83.6Confident89.5Confident54 Ų5448.2 Ų48.256%0.55728%0.275SS*.SBendtrans91.3-6.9-177.300000114.5T311 L312 T316T311-G314 PolarHBondContact O-N 3.27Å; L312-G314 PolarHBondContact O-N 3.03Å; G314-T316 PolarHBondContact O-N 2.88Å
315K90.3Very high90.4Very high102 Ų10248.6 Ų48.644%0.44328%0.276SS..  trans-61.6131.7172.3-177.2-177.4175.4-172.30109.6K310 T311 E338K310-K315 WeakPolarHBondContact CA-O 2.98Å; T311-K315 PolarHBondContact N-O 3.19Å; T311-K315 WeakPolarHBondContact OG1-CB 3.43Å; T311-K315 PolarHBondContact OG1-N 3.1Å; T311-K315 PolarHBondContact OG1-O 3.18Å; T311-K315 VanDerWaalsContact OG1-O 3.05Å; K315-E338 WeakPolarHBondContact CE-OE1 3.3Å; K315-E338 IonicContact NZ-OE1 3.17Å; K315-E338 PolarHBondContact NZ-OE1 2.84Å; K315-E338 IonicContact NZ-OE2 3.42Å; K315-E338 PolarHBondContact NZ-OE2 2.87Å
316T92.6Very high90.8Very high63 Ų6349 Ų4939%0.38728%0.28SS..EExtended strand (participates in β ladder)trans-107.8124.8176.5-55.40000109.3F308 K310 G314F308-T316 HydrophobicContact CB-CG2 3.81Å; F308-T316 HydrophobicContact CD1-CG2 3.96Å; F308-T316 HydrophobicContact CG-CG2 4.22Å; K310-T316 HydrophobicContact CG-CG2 4.12Å; K310-T316 WeakPolarHBondContact CG-OG1 3.49Å; G314-T316 PolarHBondContact O-N 2.88Å
317I91.2Very high91.1Very high7 Ų746.5 Ų46.54%0.03627%0.269CS..EExtended strand (participates in β ladder)trans-104128177.8-56.1150.1000107.4F308 V309 T311 L319 K337 E338F308-I317 CarbonylContact C-O 3.56Å; F308-I317 WeakPolarHBondContact CA-O 3.31Å; V309-I317 HydrophobicContact CB-CB 4.3Å; V309-I317 PolarHBondContact N-O 2.85Å; V309-I317 PolarHBondContact O-N 2.76Å; T311-I317 HydrophobicContact CG2-CD1 3.95Å; I317-L319 HydrophobicContact CG2-CD2 3.92Å; I317-L319 HydrophobicContact CG2-CG 4.42Å; I317-K337 HydrophobicContact CG2-CD 4.36Å; I317-E338 HydrophobicContact CD1-CG 3.64Å; I317-E338 HydrophobicContact CG1-CG 3.99Å; I317-E338 HydrophobicContact CG2-CG 4.37Å
318T91.9Very high91.2Very high55 Ų5552.1 Ų52.134%0.33730%0.295SS..EExtended strand (participates in β ladder)trans-91.9128.5174.6-54.70000109.4Q306 F308 K337Q306-T318 HydrophobicContact CB-CG2 4.28Å; Q306-T318 HydrophobicContact CG-CG2 4.26Å; F308-T318 HydrophobicContact CD1-CG2 4.31Å; F308-T318 HydrophobicContact CE1-CG2 4.04Å; T318-K337 PolarHBondContact O-NZ 3.18Å
319L90.7Very high91Very high0 Ų053 Ų530%030%0.302CS..EExtended strand (participates in β ladder)trans-118.8143.4176.1-58.6179.7000110.3Q306 I307 V309 I317 V321 V330 K333 I334 K337Q306-L319 CarbonylContact C-O 3.48Å; Q306-L319 VanDerWaalsContact CA-O 3.25Å; Q306-L319 WeakPolarHBondContact CA-O 3.27Å; I307-L319 HydrophobicContact CG1-CB 4Å; I307-L319 PolarHBondContact N-O 2.93Å; I307-L319 PolarHBondContact O-N 2.91Å; V309-L319 HydrophobicContact CG2-CD1 3.51Å; V309-L319 HydrophobicContact CG2-CG 4.12Å; I317-L319 HydrophobicContact CG2-CD2 3.92Å; I317-L319 HydrophobicContact CG2-CG 4.42Å; L319-V321 HydrophobicContact CB-CG1 4.04Å; L319-V330 HydrophobicContact CD1-CG1 3.86Å; L319-K333 HydrophobicContact CD2-CB 4.39Å; L319-I334 HydrophobicContact CD1-CD1 4.05Å; L319-I334 HydrophobicContact CD1-CG1 3.54Å; L319-I334 HydrophobicContact CD2-CG1 4.3Å; L319-I334 HydrophobicContact CG-CG1 4.47Å; L319-K337 HydrophobicContact CD2-CD 3.83Å
320E88Confident91Very high35 Ų3553 Ų5316%0.16430%0.302CS..EExtended strand (participates in β ladder)trans-99.5122.3169.6-66.9-76.4-179.800107.8Q268 G304 Q306 K333Q268-E320 VanDerWaalsContact NE2-CB 3.27Å; Q268-E320 VanDerWaalsContact NE2-CG 3.33Å; G304-E320 WeakPolarHBondContact CA-OE2 3.38Å; Q306-E320 VanDerWaalsContact CD-OE1 3.25Å; Q306-E320 HydrophobicContact CG-CG 4.35Å; Q306-E320 WeakPolarHBondContact CG-OE1 3.4Å; Q306-E320 WeakPolarHBondContact CG-OE2 3.21Å; Q306-E320 PolarHBondContact NE2-OE1 2.89Å; E320-K333 PolarHBondContact O-NZ 3.37Å
321V91.1Very high90.9Very high2 Ų249.2 Ų49.21%0.01229%0.285CS..EExtended strand (participates in β ladder)trans-140.2161.8-170-61.90000110.5M305 I307 L319 D325 V330 K333 L360M305-V321 WeakPolarHBondContact CB-O 3.47Å; M305-V321 HydrophobicContact CE-CG2 4.16Å; M305-V321 HydrophobicContact CG-CG2 4.12Å; M305-V321 WeakPolarHBondContact O-CG2 3.45Å; M305-V321 PolarHBondContact O-N 3.49Å; M305-V321 VanDerWaalsContact O-O 3.07Å; I307-V321 HydrophobicContact CB-CG2 4.28Å; I307-V321 HydrophobicContact CD1-CG1 3.9Å; I307-V321 HydrophobicContact CD1-CG2 3.96Å; I307-V321 HydrophobicContact CG1-CG1 3.97Å; I307-V321 HydrophobicContact CG1-CG2 3.76Å; I307-V321 HydrophobicContact CG2-CG2 3.69Å; L319-V321 HydrophobicContact CB-CG1 4.04Å; V321-D325 VanDerWaalsContact CA-OD2 3.28Å; V321-D325 WeakPolarHBondContact CA-OD2 3.5Å; V321-V330 HydrophobicContact CG1-CG2 4.27Å; V321-K333 HydrophobicContact CG1-CD 4.09Å; V321-L360 HydrophobicContact CB-CD1 3.52Å; V321-L360 HydrophobicContact CG1-CD1 4.07Å; V321-L360 HydrophobicContact CG2-CD1 3.38Å
322E88.6Confident91Very high33 Ų3349.5 Ų49.515%0.15429%0.29CS..  trans-110.1151.9170.5-65.2-177.415600110.3Q259 P266 S324 D325Q259-E322 PolarHBondContact NE2-OE2 3.22Å; P266-E322 WeakPolarHBondContact CD-OE1 3.39Å; E322-S324 PolarHBondContact O-N 2.81Å; E322-S324 VanDerWaalsContact O-N 3.11Å; E322-D325 PolarHBondContact N-OD2 2.98Å; E322-D325 VanDerWaalsContact O-CB 3.3Å; E322-D325 WeakPolarHBondContact O-CB 3.41Å; E322-D325 PolarHBondContact O-N 3.16Å
323P91.6Very high91.5Very high66 Ų6644.8 Ų44.843%0.42926%0.264SS..THydrogen-bonded Turntrans-55.1-30.7175.8-25.533.7000113.7M305 D325 S361M305-P323 HydrophobicContact SD-CG 3.83Å; P323-D325 VanDerWaalsContact C-N 3.35Å; P323-S361 VanDerWaalsContact O-CB 3.24Å; P323-S361 WeakPolarHBondContact O-CB 3.49Å; P323-S361 PolarHBondContact O-N 2.74Å; P323-S361 PolarHBondContact O-OG 3.06Å
324S90.5Very high92Very high76 Ų7638.7 Ų38.753%0.53123%0.226SC..THydrogen-bonded Turntrans-78.2-11.9176.543.10000114.4E322 T326 T359E322-S324 PolarHBondContact O-N 2.81Å; E322-S324 VanDerWaalsContact O-N 3.11Å; S324-T326 PolarHBondContact O-N 3.07Å; S324-T359 WeakPolarHBondContact O-CG2 3.35Å
325D93Very high92.3Very high10 Ų1038.4 Ų38.45%0.05321%0.211CC..  trans-59.6130.8178-86.4-34.6000110.1V321 E322 P323 N329 V330 K333 T359 L360V321-D325 VanDerWaalsContact CA-OD2 3.28Å; V321-D325 WeakPolarHBondContact CA-OD2 3.5Å; E322-D325 PolarHBondContact N-OD2 2.98Å; E322-D325 VanDerWaalsContact O-CB 3.3Å; E322-D325 WeakPolarHBondContact O-CB 3.41Å; E322-D325 PolarHBondContact O-N 3.16Å; P323-D325 VanDerWaalsContact C-N 3.35Å; D325-N329 HydrophobicContact CB-CB 4.21Å; D325-N329 PolarHBondContact OD1-ND2 3.04Å; D325-V330 HydrophobicContact CB-CG2 4.39Å; D325-K333 VanDerWaalsContact OD2-CE 3.27Å; D325-K333 WeakPolarHBondContact OD2-CE 3.32Å; D325-K333 IonicContact OD2-NZ 3.31Å; D325-T359 CarbonylContact O-C 3.52Å; D325-T359 WeakPolarHBondContact O-CA 3.47Å; D325-L360 HydrophobicContact CB-CD1 4.26Å; D325-L360 PolarHBondContact O-N 2.9Å
326T95.7Very high92.1Very high35 Ų3539.9 Ų39.922%0.21522%0.223CC..BIsolated β-bridgetrans-72.3159.1170.965.40000110.5S324 E328 N329 V330 R358 T359S324-T326 PolarHBondContact O-N 3.07Å; T326-E328 PolarHBondContact O-N 3.21Å; T326-N329 WeakPolarHBondContact O-CB 3.26Å; T326-N329 PolarHBondContact O-N 3.43Å; T326-N329 PolarHBondContact OG1-N 3.08Å; T326-N329 VanDerWaalsContact OG1-N 3.11Å; T326-N329 PolarHBondContact OG1-OD1 2.79Å; T326-N329 VanDerWaalsContact OG1-OD1 3.06Å; T326-V330 WeakPolarHBondContact O-CG2 3.2Å; T326-V330 PolarHBondContact O-N 2.89Å; T326-R358 CarbonylContact C-O 3.51Å; T326-R358 VanDerWaalsContact CA-O 3.24Å; T326-R358 WeakPolarHBondContact CA-O 3.43Å; T326-T359 HydrophobicContact CG2-CG2 4.43Å
327I96.4Very high91.9Very high0 Ų042.4 Ų42.40%023%0.229CC..Hα-helixtrans-62.7-31174.3-61.4-57.9000111.1V330 K331 L347 L354 E355 D356 R358 L360 Y363I327-V330 PolarHBondContact O-N 3.02Å; I327-K331 VanDerWaalsContact O-CG 3.3Å; I327-K331 WeakPolarHBondContact O-CG 3.49Å; I327-K331 PolarHBondContact O-N 3.35Å; I327-L347 HydrophobicContact CG2-CD1 4.22Å; I327-L354 HydrophobicContact CB-CB 4.49Å; I327-L354 HydrophobicContact CD1-CB 3.8Å; I327-L354 HydrophobicContact CD1-CD1 3.63Å; I327-L354 HydrophobicContact CD1-CG 4.27Å; I327-L354 HydrophobicContact CG1-CB 3.79Å; I327-L354 HydrophobicContact CG2-CB 3.91Å; I327-E355 VanDerWaalsContact CB-O 3.31Å; I327-E355 WeakPolarHBondContact CB-O 3.41Å; I327-E355 VanDerWaalsContact CG1-O 3.29Å; I327-E355 WeakPolarHBondContact CG1-O 3.28Å; I327-D356 PolarHBondContact N-O 2.99Å; I327-R358 WeakPolarHBondContact CG1-O 3.45Å; I327-R358 PolarHBondContact N-O 3.34Å; I327-L360 HydrophobicContact CD1-CD2 3.92Å; I327-Y363 HydrophobicContact CD1-CD2 4.26Å; I327-Y363 HydrophobicContact CD1-CE2 4.33Å; I327-Y363 HydrophobicContact CG1-CD2 4.4Å; I327-Y363 HydrophobicContact CG1-CE2 4.01Å
328E94.7Very high91.8Very high118 Ų11845.1 Ų45.155%0.55124%0.242SC*.Hα-helixtrans-59.6-46.6169.1-169.2172.3-166.700112.1T326 V330 K331 A332 D356T326-E328 PolarHBondContact O-N 3.21Å; E328-V330 VanDerWaalsContact C-N 3.31Å; E328-V330 PolarHBondContact O-N 2.96Å; E328-K331 WeakPolarHBondContact O-CB 3.48Å; E328-K331 PolarHBondContact O-N 3.2Å; E328-K331 VanDerWaalsContact O-N 3.14Å; E328-A332 PolarHBondContact O-N 3.01Å; E328-D356 HydrophobicContact CB-CB 4.25Å; E328-D356 PolarHBondContact N-O 2.81Å; E328-D356 VanDerWaalsContact N-O 3.15Å
329N93.9Very high91.3Very high69 Ų6945.3 Ų45.337%0.36925%0.254SS..Hα-helixtrans-59-42.7174.4-64.4-3.2000111.5D325 T326 K331 A332 K333D325-N329 HydrophobicContact CB-CB 4.21Å; D325-N329 PolarHBondContact OD1-ND2 3.04Å; T326-N329 WeakPolarHBondContact O-CB 3.26Å; T326-N329 PolarHBondContact O-N 3.43Å; T326-N329 PolarHBondContact OG1-N 3.08Å; T326-N329 VanDerWaalsContact OG1-N 3.11Å; T326-N329 PolarHBondContact OG1-OD1 2.79Å; T326-N329 VanDerWaalsContact OG1-OD1 3.06Å; N329-K331 VanDerWaalsContact C-N 3.31Å; N329-K331 PolarHBondContact O-N 3.43Å; N329-A332 PolarHBondContact O-N 2.72Å; N329-K333 WeakPolarHBondContact O-CG 3.39Å; N329-K333 PolarHBondContact O-N 2.96Å
330V95.4Very high91.1Very high0 Ų046.6 Ų46.60%026%0.261CS..Hα-helixtrans-62.8-40.5177.7178.10000110.8I307 L319 V321 D325 T326 I327 E328 K333 I334 L347 L360I307-V330 HydrophobicContact CD1-CG1 4.36Å; L319-V330 HydrophobicContact CD1-CG1 3.86Å; V321-V330 HydrophobicContact CG1-CG2 4.27Å; D325-V330 HydrophobicContact CB-CG2 4.39Å; T326-V330 WeakPolarHBondContact O-CG2 3.2Å; T326-V330 PolarHBondContact O-N 2.89Å; I327-V330 PolarHBondContact O-N 3.02Å; E328-V330 VanDerWaalsContact C-N 3.31Å; E328-V330 PolarHBondContact O-N 2.96Å; V330-K333 PolarHBondContact O-N 2.9Å; V330-I334 HydrophobicContact CG1-CD1 4.27Å; V330-I334 WeakPolarHBondContact O-CG1 3.41Å; V330-I334 PolarHBondContact O-N 3.46Å; V330-L347 HydrophobicContact CB-CD1 4.35Å; V330-L347 HydrophobicContact CG1-CD1 3.77Å; V330-L360 HydrophobicContact CG2-CD1 3.96Å; V330-L360 HydrophobicContact CG2-CD2 3.93Å; V330-L360 HydrophobicContact CG2-CG 3.99Å
331K95.3Very high90.9Very high6 Ų645.3 Ų45.33%0.02626%0.256CS..Hα-helixtrans-65.6-43.1175.8-72.4171.4165.3-166.50112.2I327 E328 N329 K333 I334 Q335 P342 Q345 L347 D356I327-K331 VanDerWaalsContact O-CG 3.3Å; I327-K331 WeakPolarHBondContact O-CG 3.49Å; I327-K331 PolarHBondContact O-N 3.35Å; E328-K331 WeakPolarHBondContact O-CB 3.48Å; E328-K331 PolarHBondContact O-N 3.2Å; E328-K331 VanDerWaalsContact O-N 3.14Å; N329-K331 VanDerWaalsContact C-N 3.31Å; N329-K331 PolarHBondContact O-N 3.43Å; K331-K333 VanDerWaalsContact C-N 3.3Å; K331-K333 PolarHBondContact O-N 2.88Å; K331-I334 WeakPolarHBondContact O-CB 3.16Å; K331-I334 PolarHBondContact O-N 3.21Å; K331-I334 VanDerWaalsContact O-N 3.09Å; K331-Q335 PolarHBondContact O-N 3.28Å; K331-P342 HydrophobicContact CB-CB 3.77Å; K331-P342 HydrophobicContact CB-CG 4.19Å; K331-P342 HydrophobicContact CD-CB 4.09Å; K331-P342 WeakPolarHBondContact CD-O 3.45Å; K331-P342 WeakPolarHBondContact CE-O 3.38Å; K331-P342 PolarHBondContact NZ-O 2.83Å; K331-P342 VanDerWaalsContact NZ-O 3.08Å; K331-Q345 HydrophobicContact CD-CB 4.35Å; K331-Q345 VanDerWaalsContact CE-O 3.3Å; K331-Q345 WeakPolarHBondContact CE-O 3.47Å; K331-Q345 HydrophobicContact CG-CB 4.02Å; K331-Q345 PolarHBondContact NZ-O 2.88Å; K331-Q345 PolarHBondContact O-NE2 2.73Å; K331-Q345 PolarHBondContact O-OE1 3Å; K331-L347 HydrophobicContact CG-CD1 3.96Å; K331-D356 WeakPolarHBondContact CE-OD1 3.4Å; K331-D356 IonicContact NZ-OD1 2.81Å; K331-D356 PolarHBondContact NZ-OD1 3.08Å; K331-D356 IonicContact NZ-OD2 3.52Å; K331-D356 PolarHBondContact NZ-OD2 2.98Å
332A91.7Very high90.8Very high35 Ų3546.3 Ų46.329%0.28926%0.262SS..Hα-helixtrans-57.4-45173.400000110.9E328 N329 I334 Q335 D336E328-A332 PolarHBondContact O-N 3.01Å; N329-A332 PolarHBondContact O-N 2.72Å; A332-I334 VanDerWaalsContact C-N 3.27Å; A332-I334 PolarHBondContact O-N 3.16Å; A332-Q335 WeakPolarHBondContact O-CA 3.22Å; A332-Q335 VanDerWaalsContact O-CB 3.31Å; A332-Q335 WeakPolarHBondContact O-CB 3.33Å; A332-Q335 PolarHBondContact O-N 3.45Å; A332-D336 VanDerWaalsContact O-CG 3.28Å; A332-D336 PolarHBondContact O-N 3.08Å
333K92.7Very high90.5Very high46 Ų4647.4 Ų47.420%0.227%0.269CS..Hα-helixtrans-60.3-33.1174.9-69.5167.7-174-90.30113.4L319 E320 V321 D325 N329 V330 K331 K337L319-K333 HydrophobicContact CD2-CB 4.39Å; E320-K333 PolarHBondContact O-NZ 3.37Å; V321-K333 HydrophobicContact CG1-CD 4.09Å; D325-K333 VanDerWaalsContact OD2-CE 3.27Å; D325-K333 WeakPolarHBondContact OD2-CE 3.32Å; D325-K333 IonicContact OD2-NZ 3.31Å; N329-K333 WeakPolarHBondContact O-CG 3.39Å; N329-K333 PolarHBondContact O-N 2.96Å; V330-K333 PolarHBondContact O-N 2.9Å; K331-K333 VanDerWaalsContact C-N 3.3Å; K331-K333 PolarHBondContact O-N 2.88Å; K333-K337 WeakPolarHBondContact O-CG 3.38Å; K333-K337 PolarHBondContact O-N 2.82Å
334I93.2Very high90.2Very high0 Ų045.9 Ų45.90%026%0.256CS..Hα-helixtrans-72.5-40.7173.8-66.7162.8000110.4V309 L319 V330 K331 A332 D336 K337 E338 Q345 L347 L373V309-I334 HydrophobicContact CG1-CD1 4.11Å; V309-I334 HydrophobicContact CG2-CD1 4.15Å; L319-I334 HydrophobicContact CD1-CD1 4.05Å; L319-I334 HydrophobicContact CD1-CG1 3.54Å; L319-I334 HydrophobicContact CD2-CG1 4.3Å; L319-I334 HydrophobicContact CG-CG1 4.47Å; V330-I334 HydrophobicContact CG1-CD1 4.27Å; V330-I334 WeakPolarHBondContact O-CG1 3.41Å; V330-I334 PolarHBondContact O-N 3.46Å; K331-I334 WeakPolarHBondContact O-CB 3.16Å; K331-I334 PolarHBondContact O-N 3.21Å; K331-I334 VanDerWaalsContact O-N 3.09Å; A332-I334 VanDerWaalsContact C-N 3.27Å; A332-I334 PolarHBondContact O-N 3.16Å; I334-D336 VanDerWaalsContact C-N 3.33Å; I334-D336 PolarHBondContact O-N 2.84Å; I334-K337 PolarHBondContact O-N 2.88Å; I334-E338 HydrophobicContact CG2-CB 4.45Å; I334-E338 WeakPolarHBondContact O-CB 3.28Å; I334-E338 PolarHBondContact O-N 3.11Å; I334-Q345 VanDerWaalsContact CB-OE1 3.29Å; I334-L347 HydrophobicContact CD1-CD1 3.98Å; I334-L347 HydrophobicContact CD1-CD2 3.72Å; I334-L347 HydrophobicContact CD1-CG 4.36Å; I334-L373 HydrophobicContact CG2-CD2 4.01Å
335Q90.3Very high90.3Very high49 Ų4942.3 Ų42.323%0.22923%0.231CC..Hα-helixtrans-59.1-46.5174.9-176-178.217.700110.6K331 A332 K337 G339 I340 P342K331-Q335 PolarHBondContact O-N 3.28Å; A332-Q335 WeakPolarHBondContact O-CA 3.22Å; A332-Q335 VanDerWaalsContact O-CB 3.31Å; A332-Q335 WeakPolarHBondContact O-CB 3.33Å; A332-Q335 PolarHBondContact O-N 3.45Å; Q335-K337 PolarHBondContact O-N 2.89Å; Q335-G339 WeakPolarHBondContact O-CA 3.37Å; Q335-G339 PolarHBondContact O-N 2.97Å; Q335-I340 VanDerWaalsContact CA-O 3.26Å; Q335-I340 WeakPolarHBondContact CA-O 3.4Å; Q335-I340 WeakPolarHBondContact CB-O 3.1Å; Q335-I340 WeakPolarHBondContact CG-O 3.25Å; Q335-P342 VanDerWaalsContact CD-CD 3.44Å
336D85.8Confident90.2Very high132 Ų13246.6 Ų46.671%0.70625%0.247SC*.Hα-helixtrans-60.9-33.8179-65.5-24.4000112.5A332 I334A332-D336 VanDerWaalsContact O-CG 3.28Å; A332-D336 PolarHBondContact O-N 3.08Å; I334-D336 VanDerWaalsContact C-N 3.33Å; I334-D336 PolarHBondContact O-N 2.84Å
337K88.8Confident90.2Very high116 Ų11645 Ų4550%0.50424%0.237SC..Hα-helixtrans-88.7-36.3-178.7-73.3-162.5-176.2-165.70114.8I317 T318 L319 K333 I334 Q335I317-K337 HydrophobicContact CG2-CD 4.36Å; T318-K337 PolarHBondContact O-NZ 3.18Å; L319-K337 HydrophobicContact CD2-CD 3.83Å; K333-K337 WeakPolarHBondContact O-CG 3.38Å; K333-K337 PolarHBondContact O-N 2.82Å; I334-K337 PolarHBondContact O-N 2.88Å; Q335-K337 PolarHBondContact O-N 2.89Å
338E88.2Confident90.1Very high65 Ų6547 Ų4730%0.30425%0.247SC..Hα-helixtrans-121.2-3.3-168.2-62.6-73143.900112.8K315 I317 I334 I340K315-E338 WeakPolarHBondContact CE-OE1 3.3Å; K315-E338 IonicContact NZ-OE1 3.17Å; K315-E338 PolarHBondContact NZ-OE1 2.84Å; K315-E338 IonicContact NZ-OE2 3.42Å; K315-E338 PolarHBondContact NZ-OE2 2.87Å; I317-E338 HydrophobicContact CD1-CG 3.64Å; I317-E338 HydrophobicContact CG1-CG 3.99Å; I317-E338 HydrophobicContact CG2-CG 4.37Å; I334-E338 HydrophobicContact CG2-CB 4.45Å; I334-E338 WeakPolarHBondContact O-CB 3.28Å; I334-E338 PolarHBondContact O-N 3.11Å; E338-I340 HydrophobicContact CB-CD1 3.99Å; E338-I340 HydrophobicContact CB-CG1 3.93Å; E338-I340 PolarHBondContact O-N 2.92Å
339G82.6Confident90.2Very high58 Ų5843.4 Ų43.460%0.59823%0.23SC*.  trans71.613.218000000114.6Q335 P341Q335-G339 WeakPolarHBondContact O-CA 3.37Å; Q335-G339 PolarHBondContact O-N 2.97Å; G339-P341 WeakPolarHBondContact O-CD 3.48Å
340I85Confident90.1Very high27 Ų2744.4 Ų44.414%0.13825%0.247CC..  trans-91.7117.4-174.1-52.7179.8000109.7Q335 E338 Q344 Q345 L373 L375Q335-I340 VanDerWaalsContact CA-O 3.26Å; Q335-I340 WeakPolarHBondContact CA-O 3.4Å; Q335-I340 WeakPolarHBondContact CB-O 3.1Å; Q335-I340 WeakPolarHBondContact CG-O 3.25Å; E338-I340 HydrophobicContact CB-CD1 3.99Å; E338-I340 HydrophobicContact CB-CG1 3.93Å; E338-I340 PolarHBondContact O-N 2.92Å; I340-Q344 HydrophobicContact CG2-CB 4.29Å; I340-Q345 HydrophobicContact CB-CG 4.33Å; I340-Q345 HydrophobicContact CG2-CG 3.7Å; I340-Q345 PolarHBondContact O-NE2 2.72Å; I340-L373 HydrophobicContact CD1-CD2 4.11Å; I340-L375 HydrophobicContact CD1-CD1 4.42Å; I340-L375 HydrophobicContact CD1-CD2 3.84Å; I340-L375 HydrophobicContact CG2-CD2 3.65Å
341P84.5Confident89.9Confident9 Ų948 Ų486%0.05828%0.284CS..  trans-59.3138.9178.9-28.838.8000114G339 D343 Q344 Q345G339-P341 WeakPolarHBondContact O-CD 3.48Å; P341-D343 VanDerWaalsContact C-N 3.26Å; P341-D343 WeakPolarHBondContact CB-OD1 3.36Å; P341-D343 PolarHBondContact O-N 2.78Å; P341-D343 VanDerWaalsContact O-N 3.17Å; P341-Q344 HydrophobicContact CB-CG 4.36Å; P341-Q344 WeakPolarHBondContact O-CB 3.4Å; P341-Q344 PolarHBondContact O-N 2.63Å; P341-Q345 WeakPolarHBondContact O-CG 3.12Å; P341-Q345 PolarHBondContact O-N 3.44Å
342P88.4Confident89.7Confident23 Ų2354.9 Ų54.915%0.14931%0.314CS..THydrogen-bonded Turntrans-53.4-32-177.7-33.437.7000116.2K331 Q335 Q345 E398K331-P342 HydrophobicContact CB-CB 3.77Å; K331-P342 HydrophobicContact CB-CG 4.19Å; K331-P342 HydrophobicContact CD-CB 4.09Å; K331-P342 WeakPolarHBondContact CD-O 3.45Å; K331-P342 WeakPolarHBondContact CE-O 3.38Å; K331-P342 PolarHBondContact NZ-O 2.83Å; K331-P342 VanDerWaalsContact NZ-O 3.08Å; Q335-P342 VanDerWaalsContact CD-CD 3.44Å; P342-Q345 PolarHBondContact O-N 2.77Å; P342-E398 WeakPolarHBondContact CD-OE1 3.3Å
343D82.3Confident89.8Confident56 Ų5657.2 Ų57.230%0.29932%0.319SS..THydrogen-bonded Turntrans-70.2-31.6177.963.1-16.4000112.8P341 Q345 R376 G380P341-D343 VanDerWaalsContact C-N 3.26Å; P341-D343 WeakPolarHBondContact CB-OD1 3.36Å; P341-D343 PolarHBondContact O-N 2.78Å; P341-D343 VanDerWaalsContact O-N 3.17Å; D343-Q345 VanDerWaalsContact C-N 3.3Å; D343-R376 PolarHBondContact O-NH1 2.8Å; D343-R376 VanDerWaalsContact O-NH1 3.14Å; D343-G380 WeakPolarHBondContact OD2-CA 3.28Å
344Q86.1Confident90Very high34 Ų3455.1 Ų55.116%0.15931%0.31CS..THydrogen-bonded Turntrans-76.2-19.8172.1-62.2-174.85.300112.4I340 P341 L375 R376I340-Q344 HydrophobicContact CG2-CB 4.29Å; P341-Q344 HydrophobicContact CB-CG 4.36Å; P341-Q344 WeakPolarHBondContact O-CB 3.4Å; P341-Q344 PolarHBondContact O-N 2.63Å; Q344-L375 WeakPolarHBondContact O-CA 3.08Å; Q344-R376 PolarHBondContact O-N 2.8Å
345Q91.6Very high90Very high0 Ų059.9 Ų59.90%033%0.332CS..EExtended strand (participates in β ladder)trans-81.6125.1-178.8-61.8179.341.300111.9K331 I334 I340 P341 P342 D343 L373 R376K331-Q345 HydrophobicContact CD-CB 4.35Å; K331-Q345 VanDerWaalsContact CE-O 3.3Å; K331-Q345 WeakPolarHBondContact CE-O 3.47Å; K331-Q345 HydrophobicContact CG-CB 4.02Å; K331-Q345 PolarHBondContact NZ-O 2.88Å; K331-Q345 PolarHBondContact O-NE2 2.73Å; K331-Q345 PolarHBondContact O-OE1 3Å; I334-Q345 VanDerWaalsContact CB-OE1 3.29Å; I340-Q345 HydrophobicContact CB-CG 4.33Å; I340-Q345 HydrophobicContact CG2-CG 3.7Å; I340-Q345 PolarHBondContact O-NE2 2.72Å; P341-Q345 WeakPolarHBondContact O-CG 3.12Å; P341-Q345 PolarHBondContact O-N 3.44Å; P342-Q345 PolarHBondContact O-N 2.77Å; D343-Q345 VanDerWaalsContact C-N 3.3Å; Q345-L373 HydrophobicContact CB-CD1 3.74Å; Q345-L373 HydrophobicContact CG-CD1 3.93Å; Q345-R376 PolarHBondContact O-NH1 3.32Å
346R91.4Very high90.1Very high101 Ų10160.7 Ų60.738%0.38134%0.338SS..EExtended strand (participates in β ladder)trans-116.2103.3166.8-174.4-176.5-1331744.1109.2I348 Q353 V374 R376R346-I348 HydrophobicContact CG-CG1 4.36Å; R346-Q353 HydrophobicContact CG-CG 4.08Å; R346-Q353 VanDerWaalsContact CZ-OE1 3.24Å; R346-V374 WeakPolarHBondContact CA-O 3.28Å; R346-V374 HydrophobicContact CB-CB 4.2Å; R346-V374 WeakPolarHBondContact CB-O 3.43Å; R346-V374 PolarHBondContact N-O 3.02Å; R346-V374 PolarHBondContact O-N 3.45Å; R346-R376 HydrophobicContact CB-CG 4.4Å
347L95.4Very high90.4Very high1 Ų157.8 Ų57.81%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-87.6134.6175.6-63.5177.2000110.7V309 I327 V330 K331 I334 L354 L371 H372 L373V309-L347 HydrophobicContact CG1-CD2 4.01Å; I327-L347 HydrophobicContact CG2-CD1 4.22Å; V330-L347 HydrophobicContact CB-CD1 4.35Å; V330-L347 HydrophobicContact CG1-CD1 3.77Å; K331-L347 HydrophobicContact CG-CD1 3.96Å; I334-L347 HydrophobicContact CD1-CD1 3.98Å; I334-L347 HydrophobicContact CD1-CD2 3.72Å; I334-L347 HydrophobicContact CD1-CG 4.36Å; L347-L354 HydrophobicContact CB-CB 4.42Å; L347-L354 HydrophobicContact CB-CD1 4Å; L347-L354 HydrophobicContact CB-CG 4.38Å; L347-L354 PolarHBondContact O-N 3.26Å; L347-L371 HydrophobicContact CD1-CD2 4.34Å; L347-H372 CarbonylContact C-O 3.49Å; L347-H372 WeakPolarHBondContact CA-O 3.2Å; L347-L373 HydrophobicContact CD2-CB 4.07Å; L347-L373 HydrophobicContact CD2-CD1 3.83Å
348I95.7Very high90.7Very high43 Ų4357.5 Ų57.522%0.22134%0.335CS..EExtended strand (participates in β ladder)trans-129.3130.5-179.3-57.6172.6000108.5R346 K352 H372 V374R346-I348 HydrophobicContact CG-CG1 4.36Å; I348-K352 CarbonylContact C-O 3.59Å; I348-K352 VanDerWaalsContact CA-O 3.27Å; I348-K352 WeakPolarHBondContact CA-O 3.36Å; I348-K352 WeakPolarHBondContact CG2-O 3.08Å; I348-H372 HydrophobicContact CB-CB 4.34Å; I348-H372 PolarHBondContact N-O 3.01Å; I348-H372 PolarHBondContact O-N 2.97Å; I348-V374 HydrophobicContact CD1-CG2 3.91Å
349F97Very high91.1Very high42 Ų4255.7 Ų55.718%0.18433%0.329CS..EExtended strand (participates in β ladder)trans-133.8135.9172.8-178.7-111.8000109.6G351 K352 L354 I365 T370 L371F349-G351 PolarHBondContact O-N 2.78Å; F349-G351 VanDerWaalsContact O-N 3.1Å; F349-K352 PolarHBondContact N-O 3.23Å; F349-K352 PolarHBondContact O-N 3.07Å; F349-L354 HydrophobicContact CB-CD1 4.03Å; F349-L354 HydrophobicContact CB-CD2 3.77Å; F349-L354 HydrophobicContact CB-CG 4.27Å; F349-I365 HydrophobicContact CB-CD1 4.32Å; F349-I365 HydrophobicContact CD1-CD1 4.1Å; F349-I365 HydrophobicContact CD1-CG1 3.57Å; F349-I365 HydrophobicContact CD2-CG1 4.38Å; F349-I365 HydrophobicContact CE1-CG1 3.65Å; F349-I365 HydrophobicContact CE2-CG1 4.46Å; F349-I365 HydrophobicContact CG-CD1 4.17Å; F349-I365 HydrophobicContact CG-CG1 3.95Å; F349-I365 HydrophobicContact CZ-CG1 4.11Å; F349-T370 WeakPolarHBondContact CD2-O 3.32Å; F349-L371 HydrophobicContact CB-CG 4.28Å; F349-L371 HydrophobicContact CD2-CD1 4.09Å; F349-L371 HydrophobicContact CD2-CG 4.45Å
350A91.6Very high91.7Very high89 Ų8952.9 Ų52.974%0.73630%0.3SS*.THydrogen-bonded Turntrans47.639.8-177.100000113.9K352A350-K352 PolarHBondContact O-N 3.3Å
351G89.7Confident92.2Very high76 Ų7654.3 Ų54.378%0.78431%0.313SS*.THydrogen-bonded Turntrans75.7-1.4-179.300000115.7F349F349-G351 PolarHBondContact O-N 2.78Å; F349-G351 VanDerWaalsContact O-N 3.1Å
352K92.8Very high92.7Very high150 Ų15058.3 Ų58.365%0.65233%0.333SS*.EExtended strand (participates in β ladder)trans-103.5137.1178.3-65.8-176.5179.9178.70111.1I348 F349 A350I348-K352 CarbonylContact C-O 3.59Å; I348-K352 VanDerWaalsContact CA-O 3.27Å; I348-K352 WeakPolarHBondContact CA-O 3.36Å; I348-K352 WeakPolarHBondContact CG2-O 3.08Å; F349-K352 PolarHBondContact N-O 3.23Å; F349-K352 PolarHBondContact O-N 3.07Å; A350-K352 PolarHBondContact O-N 3.3Å
353Q92.8Very high93Very high84 Ų8458.9 Ų58.939%0.39333%0.333SS..EExtended strand (participates in β ladder)trans-69.5133.7168.4-176.4-176.3-44.600109R346 R376R346-Q353 HydrophobicContact CG-CG 4.08Å; R346-Q353 VanDerWaalsContact CZ-OE1 3.24Å; Q353-R376 VanDerWaalsContact NE2-NH2 3.14Å
354L96.3Very high93.6Very high3 Ų362.3 Ų62.32%0.01635%0.351CS..PPolyproline II helixtrans-84.9141.5177.7-47.7178.4000110.5I327 L347 F349 Y363 I365 L371I327-L354 HydrophobicContact CB-CB 4.49Å; I327-L354 HydrophobicContact CD1-CB 3.8Å; I327-L354 HydrophobicContact CD1-CD1 3.63Å; I327-L354 HydrophobicContact CD1-CG 4.27Å; I327-L354 HydrophobicContact CG1-CB 3.79Å; I327-L354 HydrophobicContact CG2-CB 3.91Å; L347-L354 HydrophobicContact CB-CB 4.42Å; L347-L354 HydrophobicContact CB-CD1 4Å; L347-L354 HydrophobicContact CB-CG 4.38Å; L347-L354 PolarHBondContact O-N 3.26Å; F349-L354 HydrophobicContact CB-CD1 4.03Å; F349-L354 HydrophobicContact CB-CD2 3.77Å; F349-L354 HydrophobicContact CB-CG 4.27Å; L354-Y363 HydrophobicContact CB-CE2 4.02Å; L354-Y363 HydrophobicContact CD2-CD1 3.7Å; L354-Y363 HydrophobicContact CD2-CD2 3.8Å; L354-Y363 HydrophobicContact CD2-CE1 3.79Å; L354-Y363 HydrophobicContact CD2-CE2 3.85Å; L354-Y363 HydrophobicContact CD2-CG 3.71Å; L354-Y363 HydrophobicContact CG-CE2 4.47Å; L354-I365 HydrophobicContact CD1-CD1 3.95Å; L354-L371 HydrophobicContact CD1-CD2 3.61Å; L354-L371 HydrophobicContact CD1-CG 4.09Å
355E94.2Very high94Very high99 Ų9961 Ų6146%0.46335%0.345SS..PPolyproline II helixtrans-100.2134.5-177.3-66.7169.1-172.300110I327 G357 R358 Y363I327-E355 VanDerWaalsContact CB-O 3.31Å; I327-E355 WeakPolarHBondContact CB-O 3.41Å; I327-E355 VanDerWaalsContact CG1-O 3.29Å; I327-E355 WeakPolarHBondContact CG1-O 3.28Å; E355-G357 VanDerWaalsContact C-N 3.3Å; E355-G357 PolarHBondContact O-N 2.72Å; E355-R358 HydrophobicContact CB-CG 4.27Å; E355-R358 PolarHBondContact O-N 3.37Å; E355-R358 VanDerWaalsContact O-N 3.07Å; E355-R358 IonicContact OE1-NH2 3.7Å; E355-R358 IonicContact OE2-CZ 3.01Å; E355-R358 IonicContact OE2-NE 2.8Å; E355-R358 PolarHBondContact OE2-NE 2.93Å; E355-R358 IonicContact OE2-NH2 3.59Å; E355-R358 PolarHBondContact OE2-NH2 2.88Å; E355-R358 VanDerWaalsContact OE2-NH2 3.14Å; E355-Y363 WeakPolarHBondContact CB-OH 3.49Å; E355-Y363 PolarHBondContact N-OH 3.49Å
356D91.7Very high94.1Very high66 Ų6667.6 Ų67.635%0.35338%0.376SS..THydrogen-bonded Turntrans-56.5-39.8-169.6-68.2-0.7000113.4I327 E328 K331 R358I327-D356 PolarHBondContact N-O 2.99Å; E328-D356 HydrophobicContact CB-CB 4.25Å; E328-D356 PolarHBondContact N-O 2.81Å; E328-D356 VanDerWaalsContact N-O 3.15Å; K331-D356 WeakPolarHBondContact CE-OD1 3.4Å; K331-D356 IonicContact NZ-OD1 2.81Å; K331-D356 PolarHBondContact NZ-OD1 3.08Å; K331-D356 IonicContact NZ-OD2 3.52Å; K331-D356 PolarHBondContact NZ-OD2 2.98Å; D356-R358 VanDerWaalsContact C-N 3.34Å; D356-R358 PolarHBondContact O-N 3.14Å
357G92.6Very high94.1Very high71 Ų7168 Ų6873%0.73238%0.38SS*.THydrogen-bonded Turntrans-80.9-2-178.500000116.1E355E355-G357 VanDerWaalsContact C-N 3.3Å; E355-G357 PolarHBondContact O-N 2.72Å
358R96.1Very high93.9Very high110 Ų11074.1 Ų74.142%0.41541%0.409SS..SBendtrans-95.3156.8175.3-65.6-159.7-160.3-155.8-2.6111.1T326 I327 E355 D356 D362 Y363T326-R358 CarbonylContact C-O 3.51Å; T326-R358 VanDerWaalsContact CA-O 3.24Å; T326-R358 WeakPolarHBondContact CA-O 3.43Å; I327-R358 WeakPolarHBondContact CG1-O 3.45Å; I327-R358 PolarHBondContact N-O 3.34Å; E355-R358 HydrophobicContact CB-CG 4.27Å; E355-R358 PolarHBondContact O-N 3.37Å; E355-R358 VanDerWaalsContact O-N 3.07Å; E355-R358 IonicContact OE1-NH2 3.7Å; E355-R358 IonicContact OE2-CZ 3.01Å; E355-R358 IonicContact OE2-NE 2.8Å; E355-R358 PolarHBondContact OE2-NE 2.93Å; E355-R358 IonicContact OE2-NH2 3.59Å; E355-R358 PolarHBondContact OE2-NH2 2.88Å; E355-R358 VanDerWaalsContact OE2-NH2 3.14Å; D356-R358 VanDerWaalsContact C-N 3.34Å; D356-R358 PolarHBondContact O-N 3.14Å; R358-D362 HydrophobicContact CB-CB 4.28Å; R358-Y363 HydrophobicContact CB-CD2 4.32Å; R358-Y363 HydrophobicContact CB-CE2 3.57Å; R358-Y363 WeakPolarHBondContact CD-OH 3.47Å; R358-Y363 HydrophobicContact CG-CE2 4.32Å
359T95.5Very high93.9Very high27 Ų2773.1 Ų73.117%0.16641%0.406CS..BIsolated β-bridgetrans-90163.8177.268.50000112.4S324 D325 T326 S361 D362 Y363S324-T359 WeakPolarHBondContact O-CG2 3.35Å; D325-T359 CarbonylContact O-C 3.52Å; D325-T359 WeakPolarHBondContact O-CA 3.47Å; T326-T359 HydrophobicContact CG2-CG2 4.43Å; T359-S361 PolarHBondContact O-N 3.13Å; T359-S361 PolarHBondContact OG1-N 3.2Å; T359-S361 PolarHBondContact OG1-OG 3.34Å; T359-D362 PolarHBondContact N-OD2 2.82Å; T359-D362 WeakPolarHBondContact O-CB 3.09Å; T359-D362 PolarHBondContact O-N 2.91Å; T359-D362 PolarHBondContact OG1-N 3.19Å; T359-D362 VanDerWaalsContact OG1-N 3.15Å; T359-D362 PolarHBondContact OG1-OD2 3.18Å; T359-Y363 WeakPolarHBondContact O-CD2 3.28Å
360L95.3Very high93.9Very high0 Ų073.1 Ų73.10%041%0.41CS..THydrogen-bonded Turntrans-58.2-38.3169.8-71.3-177.9000111.9M305 I307 V321 D325 I327 V330 D362 Y363 N364 I365M305-L360 HydrophobicContact CE-CD1 4.44Å; I307-L360 HydrophobicContact CD1-CD1 4.25Å; I307-L360 HydrophobicContact CD1-CD2 4.39Å; V321-L360 HydrophobicContact CB-CD1 3.52Å; V321-L360 HydrophobicContact CG1-CD1 4.07Å; V321-L360 HydrophobicContact CG2-CD1 3.38Å; D325-L360 HydrophobicContact CB-CD1 4.26Å; D325-L360 PolarHBondContact O-N 2.9Å; I327-L360 HydrophobicContact CD1-CD2 3.92Å; V330-L360 HydrophobicContact CG2-CD1 3.96Å; V330-L360 HydrophobicContact CG2-CD2 3.93Å; V330-L360 HydrophobicContact CG2-CG 3.99Å; L360-D362 PolarHBondContact O-N 2.73Å; L360-Y363 PolarHBondContact O-N 2.97Å; L360-N364 PolarHBondContact O-N 3.37Å; L360-I365 HydrophobicContact CB-CB 4.23Å; L360-I365 HydrophobicContact CD2-CB 4.11Å; L360-I365 HydrophobicContact CD2-CD1 3.49Å; L360-I365 VanDerWaalsContact CD2-CD1 3.49Å; L360-I365 HydrophobicContact CD2-CG1 4.39Å; L360-I365 HydrophobicContact CD2-CG2 4.06Å; L360-I365 PolarHBondContact O-N 2.65Å
361S94.5Very high94.1Very high57 Ų5768.9 Ų68.940%0.39938%0.375SS..G310 helixtrans-64.2-36.4177.272.50000113P323 T359 Y363 N364P323-S361 VanDerWaalsContact O-CB 3.24Å; P323-S361 WeakPolarHBondContact O-CB 3.49Å; P323-S361 PolarHBondContact O-N 2.74Å; P323-S361 PolarHBondContact O-OG 3.06Å; T359-S361 PolarHBondContact O-N 3.13Å; T359-S361 PolarHBondContact OG1-N 3.2Å; T359-S361 PolarHBondContact OG1-OG 3.34Å; S361-Y363 PolarHBondContact O-N 3.31Å; S361-N364 PolarHBondContact O-N 2.91Å
362D95.4Very high94.5Very high92 Ų9270 Ų7049%0.49236%0.359SS..G310 helixtrans-61.2-28.6176.6-66.3-47.2000112.5R358 T359 L360R358-D362 HydrophobicContact CB-CB 4.28Å; T359-D362 PolarHBondContact N-OD2 2.82Å; T359-D362 WeakPolarHBondContact O-CB 3.09Å; T359-D362 PolarHBondContact O-N 2.91Å; T359-D362 PolarHBondContact OG1-N 3.19Å; T359-D362 VanDerWaalsContact OG1-N 3.15Å; T359-D362 PolarHBondContact OG1-OD2 3.18Å; L360-D362 PolarHBondContact O-N 2.73Å
363Y95.4Very high94.5Very high35 Ų3563 Ų6314%0.13733%0.328CS..G310 helixtrans-94.54.8175.5-68.8-70.4000113.6I327 L354 E355 R358 T359 L360 S361 I365I327-Y363 HydrophobicContact CD1-CD2 4.26Å; I327-Y363 HydrophobicContact CD1-CE2 4.33Å; I327-Y363 HydrophobicContact CG1-CD2 4.4Å; I327-Y363 HydrophobicContact CG1-CE2 4.01Å; L354-Y363 HydrophobicContact CB-CE2 4.02Å; L354-Y363 HydrophobicContact CD2-CD1 3.7Å; L354-Y363 HydrophobicContact CD2-CD2 3.8Å; L354-Y363 HydrophobicContact CD2-CE1 3.79Å; L354-Y363 HydrophobicContact CD2-CE2 3.85Å; L354-Y363 HydrophobicContact CD2-CG 3.71Å; L354-Y363 HydrophobicContact CG-CE2 4.47Å; E355-Y363 WeakPolarHBondContact CB-OH 3.49Å; E355-Y363 PolarHBondContact N-OH 3.49Å; R358-Y363 HydrophobicContact CB-CD2 4.32Å; R358-Y363 HydrophobicContact CB-CE2 3.57Å; R358-Y363 WeakPolarHBondContact CD-OH 3.47Å; R358-Y363 HydrophobicContact CG-CE2 4.32Å; T359-Y363 WeakPolarHBondContact O-CD2 3.28Å; L360-Y363 PolarHBondContact O-N 2.97Å; S361-Y363 PolarHBondContact O-N 3.31Å; Y363-I365 PolarHBondContact O-N 3.45Å
364N94.2Very high94.4Very high129 Ų12960.8 Ų60.869%0.6932%0.321SS*.THydrogen-bonded Turntrans51.336.1-172.5-65.4-54.3000112.8L360 S361 Q366L360-N364 PolarHBondContact O-N 3.37Å; S361-N364 PolarHBondContact O-N 2.91Å; N364-Q366 PolarHBondContact O-N 3.14Å
365I94.9Very high93.9Very high6 Ų664.8 Ų64.83%0.03134%0.342CS..  trans-73.9122.1174.2-66165.9000107M305 I307 F349 L354 L360 Y363 L371M305-I365 HydrophobicContact CE-CG2 4.4Å; M305-I365 WeakPolarHBondContact CE-O 3.49Å; I307-I365 HydrophobicContact CG2-CG2 3.96Å; F349-I365 HydrophobicContact CB-CD1 4.32Å; F349-I365 HydrophobicContact CD1-CD1 4.1Å; F349-I365 HydrophobicContact CD1-CG1 3.57Å; F349-I365 HydrophobicContact CD2-CG1 4.38Å; F349-I365 HydrophobicContact CE1-CG1 3.65Å; F349-I365 HydrophobicContact CE2-CG1 4.46Å; F349-I365 HydrophobicContact CG-CD1 4.17Å; F349-I365 HydrophobicContact CG-CG1 3.95Å; F349-I365 HydrophobicContact CZ-CG1 4.11Å; L354-I365 HydrophobicContact CD1-CD1 3.95Å; L360-I365 HydrophobicContact CB-CB 4.23Å; L360-I365 HydrophobicContact CD2-CB 4.11Å; L360-I365 HydrophobicContact CD2-CD1 3.49Å; L360-I365 VanDerWaalsContact CD2-CD1 3.49Å; L360-I365 HydrophobicContact CD2-CG1 4.39Å; L360-I365 HydrophobicContact CD2-CG2 4.06Å; L360-I365 PolarHBondContact O-N 2.65Å; Y363-I365 PolarHBondContact O-N 3.45Å; I365-L371 HydrophobicContact CD1-CD1 4.13Å; I365-L371 HydrophobicContact CD1-CD2 4.34Å; I365-L371 HydrophobicContact CD1-CG 4.42Å; I365-L371 HydrophobicContact CG2-CD1 3.96Å
366Q93.1Very high93.1Very high138 Ų13863.5 Ų63.565%0.64533%0.333SS*.  trans-108.7171.3-178-64.1-169.9-12.700111.3N364 E368 S369N364-Q366 PolarHBondContact O-N 3.14Å; Q366-E368 PolarHBondContact O-N 3.02Å; Q366-S369 PolarHBondContact N-OG 3.32Å; Q366-S369 WeakPolarHBondContact O-CB 3.29Å; Q366-S369 PolarHBondContact O-N 2.93Å; Q366-S369 PolarHBondContact O-OG 3.08Å
367K91Very high91.9Very high109 Ų10967.7 Ų67.747%0.47435%0.354SS..THydrogen-bonded Turntrans-48.8139.1169.6-177.4168.8179.2164.50110.8M305 S369M305-K367 HydrophobicContact CG-CB 4.11Å; K367-S369 PolarHBondContact O-N 3.37Å
368E91.9Very high90.5Very high130 Ų13075.1 Ų75.161%0.60736%0.36SS*.THydrogen-bonded Turntrans64.28.2-176.3-65.9167.9-163.200115.5Q306 F308 Q366Q306-E368 WeakPolarHBondContact O-CA 3.46Å; Q306-E368 PolarHBondContact O-N 2.94Å; F308-E368 WeakPolarHBondContact CD2-O 3.28Å; F308-E368 HydrophobicContact CE2-CB 3.93Å; F308-E368 HydrophobicContact CE2-CG 4.01Å; Q366-E368 PolarHBondContact O-N 3.02Å
369S96.7Very high88.9Confident22 Ų2271.8 Ų71.815%0.15436%0.36CS..  trans-62.3147.2172.4-66.20000111.5F308 Q366 K367F308-S369 PolarHBondContact N-O 2.94Å; Q366-S369 PolarHBondContact N-OG 3.32Å; Q366-S369 WeakPolarHBondContact O-CB 3.29Å; Q366-S369 PolarHBondContact O-N 2.93Å; Q366-S369 PolarHBondContact O-OG 3.08Å; K367-S369 PolarHBondContact O-N 3.37Å
370T96Very high87.9Confident43 Ų4370.6 Ų70.626%0.26435%0.353SS..EExtended strand (participates in β ladder)trans-112.3118.2177.8-57.80000111.4F308 K310 F349F308-T370 HydrophobicContact CB-CG2 4.28Å; F308-T370 CarbonylContact O-C 3.52Å; F308-T370 VanDerWaalsContact O-CA 3.28Å; F308-T370 WeakPolarHBondContact O-CA 3.47Å; K310-T370 HydrophobicContact CB-CG2 4.2Å; K310-T370 HydrophobicContact CD-CG2 3.75Å; K310-T370 HydrophobicContact CG-CG2 3.68Å; F349-T370 WeakPolarHBondContact CD2-O 3.32Å
371L97Very high87.5Confident0 Ų071.8 Ų71.80%036%0.359CS..EExtended strand (participates in β ladder)trans-92154.5169.6-7561.2000109.2I307 F308 V309 K310 L347 F349 L354 I365I307-L371 HydrophobicContact CD1-CD1 4.09Å; I307-L371 HydrophobicContact CD1-CD2 4.19Å; F308-L371 PolarHBondContact O-N 3.07Å; V309-L371 CarbonylContact C-O 3.59Å; V309-L371 WeakPolarHBondContact CA-O 3.25Å; V309-L371 HydrophobicContact CG2-CB 4.3Å; K310-L371 PolarHBondContact N-O 3.12Å; L347-L371 HydrophobicContact CD1-CD2 4.34Å; F349-L371 HydrophobicContact CB-CG 4.28Å; F349-L371 HydrophobicContact CD2-CD1 4.09Å; F349-L371 HydrophobicContact CD2-CG 4.45Å; L354-L371 HydrophobicContact CD1-CD2 3.61Å; L354-L371 HydrophobicContact CD1-CG 4.09Å; I365-L371 HydrophobicContact CD1-CD1 4.13Å; I365-L371 HydrophobicContact CD1-CD2 4.34Å; I365-L371 HydrophobicContact CD1-CG 4.42Å; I365-L371 HydrophobicContact CG2-CD1 3.96Å
372H96.3Very high87.2Confident98 Ų9871.5 Ų71.545%0.45435%0.351SS..EExtended strand (participates in β ladder)trans-108.4127173.6-65.274.4000109.4K310 L347 I348K310-H372 CarbonylContact O-C 3.6Å; K310-H372 WeakPolarHBondContact O-CA 3.5Å; L347-H372 CarbonylContact C-O 3.49Å; L347-H372 WeakPolarHBondContact CA-O 3.2Å; I348-H372 HydrophobicContact CB-CB 4.34Å; I348-H372 PolarHBondContact N-O 3.01Å; I348-H372 PolarHBondContact O-N 2.97Å
373L94.1Very high87.1Confident3 Ų367.1 Ų67.12%0.01633%0.328CS..EExtended strand (participates in β ladder)trans-99119.8175.4175.762.4000110V309 K310 T311 I334 I340 Q345 L347 L375V309-L373 HydrophobicContact CG1-CB 3.49Å; V309-L373 VanDerWaalsContact CG1-CB 3.49Å; V309-L373 HydrophobicContact CG1-CD2 4.34Å; V309-L373 HydrophobicContact CG1-CG 4.49Å; K310-L373 PolarHBondContact O-N 2.9Å; T311-L373 HydrophobicContact CG2-CD2 4.39Å; I334-L373 HydrophobicContact CG2-CD2 4.01Å; I340-L373 HydrophobicContact CD1-CD2 4.11Å; Q345-L373 HydrophobicContact CB-CD1 3.74Å; Q345-L373 HydrophobicContact CG-CD1 3.93Å; L347-L373 HydrophobicContact CD2-CB 4.07Å; L347-L373 HydrophobicContact CD2-CD1 3.83Å; L373-L375 HydrophobicContact CD1-CD2 4.21Å; L373-L375 HydrophobicContact CD2-CD2 4.11Å; L373-L375 HydrophobicContact CG-CD2 4.03Å
374V89.7Confident87.1Confident38 Ų3867.9 Ų67.923%0.2333%0.332CS..EExtended strand (participates in β ladder)trans-111.6128170.9178.80000108.2L312 R346 I348L312-V374 HydrophobicContact CD1-CG1 4.24Å; L312-V374 HydrophobicContact CD1-CG2 4.42Å; L312-V374 HydrophobicContact CD2-CG2 4.25Å; L312-V374 HydrophobicContact CG-CG2 4.4Å; R346-V374 WeakPolarHBondContact CA-O 3.28Å; R346-V374 HydrophobicContact CB-CB 4.2Å; R346-V374 WeakPolarHBondContact CB-O 3.43Å; R346-V374 PolarHBondContact N-O 3.02Å; R346-V374 PolarHBondContact O-N 3.45Å; I348-V374 HydrophobicContact CD1-CG2 3.91Å
375L85.5Confident87.2Confident88 Ų8861.8 Ų61.846%0.46130%0.299SS..EExtended strand (participates in β ladder)trans-84.6130178.5-56.4-177.5000110.5I340 Q344 L373I340-L375 HydrophobicContact CD1-CD1 4.42Å; I340-L375 HydrophobicContact CD1-CD2 3.84Å; I340-L375 HydrophobicContact CG2-CD2 3.65Å; Q344-L375 WeakPolarHBondContact O-CA 3.08Å; L373-L375 HydrophobicContact CD1-CD2 4.21Å; L373-L375 HydrophobicContact CD2-CD2 4.11Å; L373-L375 HydrophobicContact CG-CD2 4.03Å
376R78.2Confident87.2Confident71 Ų7165.6 Ų65.627%0.26832%0.316SS..  trans-86.7120.3170-62.1-170.6-176.196.31.6109D343 Q344 Q345 R346 Q353 R378D343-R376 PolarHBondContact O-NH1 2.8Å; D343-R376 VanDerWaalsContact O-NH1 3.14Å; Q344-R376 PolarHBondContact O-N 2.8Å; Q345-R376 PolarHBondContact O-NH1 3.32Å; R346-R376 HydrophobicContact CB-CG 4.4Å; Q353-R376 VanDerWaalsContact NE2-NH2 3.14Å; R376-R378 VanDerWaalsContact C-N 3.33Å; R376-R378 PolarHBondContact O-N 2.72Å
377L65.5Low87Confident154 Ų15460.3 Ų60.381%0.80629%0.293SS*.THydrogen-bonded Turntrans-76.7-13.4179-66.8170.7000114.6
378R64.9Low86.6Confident228 Ų22861.8 Ų61.886%0.8631%0.305SS*.THydrogen-bonded Turntrans-137.625.6-168.3-64-166.8-70-150.5-1.4114.3R376R376-R378 VanDerWaalsContact C-N 3.33Å; R376-R378 PolarHBondContact O-N 2.72Å
379G62.9Low86.2Confident40 Ų4061.7 Ų61.741%0.41231%0.314SS..  trans-92.3-29.7-176.200000114.7
380G72.5Confident85.5Confident2 Ų263.2 Ų63.22%0.02133%0.333CS..SBendtrans-87.7170-163.200000116.8D343 Q382 E396D343-G380 WeakPolarHBondContact OD2-CA 3.28Å; G380-Q382 PolarHBondContact O-N 2.79Å; G380-Q382 VanDerWaalsContact O-N 3.12Å; G380-E396 WeakPolarHBondContact CA-OE2 3.5Å
381M88.3Confident85.2Confident24 Ų2466 Ų6612%0.11834%0.341CS..EExtended strand (participates in β ladder)trans-71.899.6168.2170.8-179.3168.700108I383 V397 P399 L436 I441 K443M381-I383 HydrophobicContact CE-CG2 4.06Å; M381-V397 WeakPolarHBondContact CB-O 3.36Å; M381-V397 HydrophobicContact CE-CG2 4.22Å; M381-V397 HydrophobicContact CG-CG2 4.09Å; M381-V397 WeakPolarHBondContact O-CG2 3.46Å; M381-V397 PolarHBondContact O-N 3.25Å; M381-V397 VanDerWaalsContact O-O 3.08Å; M381-V397 HydrophobicContact SD-CG2 4.45Å; M381-P399 HydrophobicContact SD-CG 3.75Å; M381-L436 HydrophobicContact CE-CD1 4.48Å; M381-I441 HydrophobicContact CE-CG2 4.37Å; M381-I441 WeakPolarHBondContact CE-O 3.13Å; M381-K443 HydrophobicContact CG-CB 4.15Å
382Q88.1Confident85Confident51 Ų5169 Ų6924%0.23836%0.36CS..EExtended strand (participates in β ladder)trans-83.9135.7172.7-71.3178.810.800110.1G380 T394 L395 E396 E444G380-Q382 PolarHBondContact O-N 2.79Å; G380-Q382 VanDerWaalsContact O-N 3.12Å; Q382-T394 HydrophobicContact CB-CG2 4.22Å; Q382-T394 HydrophobicContact CG-CG2 4.24Å; Q382-L395 CarbonylContact C-O 3.6Å; Q382-L395 VanDerWaalsContact CA-O 3.26Å; Q382-L395 WeakPolarHBondContact CA-O 3.43Å; Q382-E396 VanDerWaalsContact CD-OE1 3.23Å; Q382-E396 HydrophobicContact CG-CG 4.41Å; Q382-E396 WeakPolarHBondContact CG-OE1 3.19Å; Q382-E396 WeakPolarHBondContact CG-OE2 3.27Å; Q382-E396 PolarHBondContact NE2-OE1 3.19Å; Q382-E444 WeakPolarHBondContact O-CA 3.22Å; Q382-E444 PolarHBondContact O-N 3.17Å
383I93.3Very high84.7Confident0 Ų064.6 Ų64.60%034%0.34CS..EExtended strand (participates in β ladder)trans-121162.8164.864.7169.5000109.6M381 L395 V397 V406 L436 I441 L447M381-I383 HydrophobicContact CE-CG2 4.06Å; I383-L395 HydrophobicContact CG1-CB 4.02Å; I383-L395 PolarHBondContact N-O 3.44Å; I383-L395 PolarHBondContact O-N 2.88Å; I383-V397 HydrophobicContact CB-CG2 4.28Å; I383-V397 HydrophobicContact CD1-CG1 3.88Å; I383-V397 HydrophobicContact CD1-CG2 3.94Å; I383-V397 HydrophobicContact CG1-CG1 3.95Å; I383-V397 HydrophobicContact CG1-CG2 3.75Å; I383-V397 HydrophobicContact CG2-CG2 3.69Å; I383-V406 HydrophobicContact CD1-CG1 4.36Å; I383-L436 HydrophobicContact CD1-CD1 4.23Å; I383-L436 HydrophobicContact CD1-CD2 4.4Å; I383-I441 HydrophobicContact CG2-CG2 3.97Å; I383-L447 HydrophobicContact CD1-CD1 4.08Å; I383-L447 HydrophobicContact CD1-CD2 4.23Å
384F95.5Very high84.5Confident52 Ų5267 Ų6723%0.22836%0.355CS..EExtended strand (participates in β ladder)trans-112.8139.5178.2-57-71.1000110.4T392 I393 T394 E444 S445 T446 L447F384-T392 HydrophobicContact CB-CG2 3.8Å; F384-T392 HydrophobicContact CD1-CG2 3.95Å; F384-T392 HydrophobicContact CG-CG2 4.2Å; F384-I393 CarbonylContact C-O 3.58Å; F384-I393 WeakPolarHBondContact CA-O 3.45Å; F384-T394 HydrophobicContact CD1-CG2 4.22Å; F384-T394 HydrophobicContact CE1-CG2 3.93Å; F384-E444 WeakPolarHBondContact CD2-O 3.18Å; F384-E444 HydrophobicContact CE2-CB 3.92Å; F384-E444 HydrophobicContact CE2-CG 4Å; F384-S445 PolarHBondContact N-O 3.2Å; F384-T446 HydrophobicContact CB-CG2 4.28Å; F384-T446 CarbonylContact O-C 3.58Å; F384-T446 VanDerWaalsContact O-CA 3.27Å; F384-T446 WeakPolarHBondContact O-CA 3.42Å; F384-L447 PolarHBondContact O-N 2.99Å
385V95.9Very high84.5Confident0 Ų065.3 Ų65.30%034%0.344CS..EExtended strand (participates in β ladder)trans-119.5111173.9-178.80000108.2I393 L395 I410 L423 L447 L449V385-I393 HydrophobicContact CB-CB 4.29Å; V385-I393 HydrophobicContact CG1-CD1 4.5Å; V385-I393 PolarHBondContact N-O 3.09Å; V385-I393 PolarHBondContact O-N 3.32Å; V385-L395 HydrophobicContact CG2-CD1 3.54Å; V385-L395 HydrophobicContact CG2-CG 4.16Å; V385-I410 HydrophobicContact CG1-CD1 4.08Å; V385-I410 HydrophobicContact CG2-CD1 4.15Å; V385-L423 HydrophobicContact CG1-CD2 4.03Å; V385-L447 CarbonylContact C-O 3.48Å; V385-L447 WeakPolarHBondContact CA-O 3.33Å; V385-L447 HydrophobicContact CG2-CB 4.28Å; V385-L449 HydrophobicContact CG1-CB 3.5Å; V385-L449 VanDerWaalsContact CG1-CB 3.5Å; V385-L449 HydrophobicContact CG1-CD2 4.34Å; V385-L449 HydrophobicContact CG1-CG 4.49Å
386K95.3Very high84.6Confident87 Ų8762.9 Ų62.938%0.37833%0.331SS..EExtended strand (participates in β ladder)trans-90.9125.2177.3-76.2-172.2-179.4-178.40110.7K391 T392 T446 L447 H448 L449K386-K391 WeakPolarHBondContact CA-O 3.09Å; K386-T392 HydrophobicContact CG-CG2 4.18Å; K386-T446 HydrophobicContact CB-CG2 4.22Å; K386-T446 HydrophobicContact CD-CG2 3.75Å; K386-T446 HydrophobicContact CG-CG2 3.68Å; K386-L447 PolarHBondContact N-O 2.81Å; K386-H448 CarbonylContact O-C 3.49Å; K386-H448 WeakPolarHBondContact O-CA 3.5Å; K386-L449 PolarHBondContact O-N 3.37Å
387T88.9Confident85.2Confident26 Ų2659.7 Ų59.716%0.1632%0.319CS..EExtended strand (participates in β ladder)trans-81.1163.1170.664.80000110.7T389 G390 K391 I393 L449T387-T389 PolarHBondContact O-N 3.27Å; T387-T389 PolarHBondContact OG1-OG1 3.23Å; T387-G390 PolarHBondContact O-N 3.23Å; T387-K391 HydrophobicContact CG2-CB 4.49Å; T387-K391 PolarHBondContact N-O 3.02Å; T387-K391 WeakPolarHBondContact OG1-CB 3.46Å; T387-K391 PolarHBondContact OG1-N 3.04Å; T387-K391 PolarHBondContact OG1-O 2.73Å; T387-I393 HydrophobicContact CG2-CD1 3.84Å; T387-L449 HydrophobicContact CG2-CD2 4.4Å
388L82Confident86.2Confident140 Ų14054.1 Ų54.173%0.73329%0.289SS*.THydrogen-bonded Turntrans-62.5-21.4175-68.6175.8000113.9G390 V450L388-G390 PolarHBondContact O-N 2.8Å; L388-V450 HydrophobicContact CD1-CG1 4.23Å; L388-V450 HydrophobicContact CD1-CG2 4.44Å; L388-V450 HydrophobicContact CD2-CG2 4.27Å; L388-V450 HydrophobicContact CG-CG2 4.41Å
389T83.1Confident87.4Confident128 Ų12846.5 Ų46.579%0.78527%0.269SS*.THydrogen-bonded Turntrans-80.4-5.1175.862.30000112.7T387T387-T389 PolarHBondContact O-N 3.27Å; T387-T389 PolarHBondContact OG1-OG1 3.23Å
390G82.4Confident88.7Confident55 Ų5548.1 Ų48.157%0.56727%0.274SS*.SBendtrans90.3-6.3-176.800000114.4T387 L388 T392T387-G390 PolarHBondContact O-N 3.23Å; L388-G390 PolarHBondContact O-N 2.8Å; G390-T392 PolarHBondContact O-N 3.31Å
391K90.4Very high89.6Confident100 Ų10048.7 Ų48.744%0.43528%0.276SS..  trans-62.3131.9172.3-177.8-177.9175.1-172.40109.4K386 T387 E414K386-K391 WeakPolarHBondContact CA-O 3.09Å; T387-K391 HydrophobicContact CG2-CB 4.49Å; T387-K391 PolarHBondContact N-O 3.02Å; T387-K391 WeakPolarHBondContact OG1-CB 3.46Å; T387-K391 PolarHBondContact OG1-N 3.04Å; T387-K391 PolarHBondContact OG1-O 2.73Å; K391-E414 WeakPolarHBondContact CE-OE1 3.48Å; K391-E414 IonicContact NZ-OE1 3.68Å; K391-E414 PolarHBondContact NZ-OE1 3.38Å; K391-E414 IonicContact NZ-OE2 3.06Å; K391-E414 PolarHBondContact NZ-OE2 2.67Å
392T91.5Very high89.9Confident63 Ų6349.1 Ų49.139%0.38728%0.281SS..EExtended strand (participates in β ladder)trans-106.8124.3176-55.70000109.2F384 K386 G390F384-T392 HydrophobicContact CB-CG2 3.8Å; F384-T392 HydrophobicContact CD1-CG2 3.95Å; F384-T392 HydrophobicContact CG-CG2 4.2Å; K386-T392 HydrophobicContact CG-CG2 4.18Å; G390-T392 PolarHBondContact O-N 3.31Å
393I90Very high90.3Very high7 Ų746.7 Ų46.74%0.03627%0.269CS..EExtended strand (participates in β ladder)trans-103.6126.6177.7-56.3150.1000107.3F384 V385 T387 L395 K413 E414F384-I393 CarbonylContact C-O 3.58Å; F384-I393 WeakPolarHBondContact CA-O 3.45Å; V385-I393 HydrophobicContact CB-CB 4.29Å; V385-I393 HydrophobicContact CG1-CD1 4.5Å; V385-I393 PolarHBondContact N-O 3.09Å; V385-I393 PolarHBondContact O-N 3.32Å; T387-I393 HydrophobicContact CG2-CD1 3.84Å; I393-L395 HydrophobicContact CG2-CD2 3.89Å; I393-L395 HydrophobicContact CG2-CG 4.39Å; I393-K413 HydrophobicContact CG2-CD 4.25Å; I393-E414 HydrophobicContact CD1-CG 3.6Å; I393-E414 HydrophobicContact CG1-CG 3.99Å; I393-E414 HydrophobicContact CG2-CG 4.44Å
394T91.1Very high90.3Very high54 Ų5452.3 Ų52.333%0.33130%0.295SS..EExtended strand (participates in β ladder)trans-90.9128.7174.5-51.30000109.2Q382 F384 K413Q382-T394 HydrophobicContact CB-CG2 4.22Å; Q382-T394 HydrophobicContact CG-CG2 4.24Å; F384-T394 HydrophobicContact CD1-CG2 4.22Å; F384-T394 HydrophobicContact CE1-CG2 3.93Å; T394-K413 PolarHBondContact O-NZ 3.48Å
395L89.7Confident90.2Very high1 Ų153.1 Ų53.11%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-118.6141.7175.9-58.8179.3000110.1Q382 I383 V385 I393 V397 V406 K409 I410 K413Q382-L395 CarbonylContact C-O 3.6Å; Q382-L395 VanDerWaalsContact CA-O 3.26Å; Q382-L395 WeakPolarHBondContact CA-O 3.43Å; I383-L395 HydrophobicContact CG1-CB 4.02Å; I383-L395 PolarHBondContact N-O 3.44Å; I383-L395 PolarHBondContact O-N 2.88Å; V385-L395 HydrophobicContact CG2-CD1 3.54Å; V385-L395 HydrophobicContact CG2-CG 4.16Å; I393-L395 HydrophobicContact CG2-CD2 3.89Å; I393-L395 HydrophobicContact CG2-CG 4.39Å; L395-V397 HydrophobicContact CB-CG1 4.03Å; L395-V406 HydrophobicContact CD1-CG1 3.89Å; L395-K409 HydrophobicContact CD2-CB 4.32Å; L395-I410 HydrophobicContact CD1-CD1 4.07Å; L395-I410 HydrophobicContact CD1-CG1 3.54Å; L395-I410 HydrophobicContact CD2-CG1 4.35Å; L395-I410 HydrophobicContact CG-CG1 4.5Å; L395-K413 HydrophobicContact CD2-CD 3.82Å
396E86.8Confident90.1Very high38 Ų3853.1 Ų53.118%0.17830%0.302CS..EExtended strand (participates in β ladder)trans-95.5122.2168.5-66.1-74.4175.300107.8G380 Q382 K409G380-E396 WeakPolarHBondContact CA-OE2 3.5Å; Q382-E396 VanDerWaalsContact CD-OE1 3.23Å; Q382-E396 HydrophobicContact CG-CG 4.41Å; Q382-E396 WeakPolarHBondContact CG-OE1 3.19Å; Q382-E396 WeakPolarHBondContact CG-OE2 3.27Å; Q382-E396 PolarHBondContact NE2-OE1 3.19Å; E396-K409 PolarHBondContact O-NZ 3.33Å
397V90Very high90.1Very high3 Ų349.2 Ų49.22%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-139.2164-171.9-61.60000110.5M381 I383 L395 D401 V406 K409 L436M381-V397 WeakPolarHBondContact CB-O 3.36Å; M381-V397 HydrophobicContact CE-CG2 4.22Å; M381-V397 HydrophobicContact CG-CG2 4.09Å; M381-V397 WeakPolarHBondContact O-CG2 3.46Å; M381-V397 PolarHBondContact O-N 3.25Å; M381-V397 VanDerWaalsContact O-O 3.08Å; M381-V397 HydrophobicContact SD-CG2 4.45Å; I383-V397 HydrophobicContact CB-CG2 4.28Å; I383-V397 HydrophobicContact CD1-CG1 3.88Å; I383-V397 HydrophobicContact CD1-CG2 3.94Å; I383-V397 HydrophobicContact CG1-CG1 3.95Å; I383-V397 HydrophobicContact CG1-CG2 3.75Å; I383-V397 HydrophobicContact CG2-CG2 3.69Å; L395-V397 HydrophobicContact CB-CG1 4.03Å; V397-D401 VanDerWaalsContact CA-OD2 3.28Å; V397-D401 WeakPolarHBondContact CA-OD2 3.39Å; V397-V406 HydrophobicContact CG1-CG2 4.28Å; V397-K409 HydrophobicContact CG1-CD 4.06Å; V397-L436 HydrophobicContact CB-CD1 3.55Å; V397-L436 HydrophobicContact CG1-CD1 4.09Å; V397-L436 HydrophobicContact CG2-CD1 3.41Å; V397-L436 VanDerWaalsContact CG2-CD1 3.41Å
398E87.6Confident90.2Very high38 Ų3849.7 Ų49.718%0.17829%0.292CS..  trans-112.3153.3169.3-66.5-177.4162.200110.5P342 S400 D401P342-E398 WeakPolarHBondContact CD-OE1 3.3Å; E398-S400 PolarHBondContact O-N 3.38Å; E398-S400 VanDerWaalsContact O-N 3.12Å; E398-D401 PolarHBondContact N-OD2 2.86Å; E398-D401 VanDerWaalsContact O-CB 3.3Å; E398-D401 WeakPolarHBondContact O-CB 3.43Å; E398-D401 PolarHBondContact O-N 2.82Å
399P90.8Very high90.6Very high67 Ų6745.4 Ų45.444%0.43527%0.267SS..THydrogen-bonded Turntrans-55.8-30.1175.9-24.933.3000113.7M381 D401 S437M381-P399 HydrophobicContact SD-CG 3.75Å; P399-D401 VanDerWaalsContact C-N 3.35Å; P399-S437 VanDerWaalsContact O-CB 3.25Å; P399-S437 WeakPolarHBondContact O-CB 3.45Å; P399-S437 PolarHBondContact O-N 3.45Å; P399-S437 PolarHBondContact O-OG 3.43Å
400S89.3Confident91Very high75 Ų7539.3 Ų39.352%0.52423%0.23SC..THydrogen-bonded Turntrans-77-14.1176.542.70000114E398 T402 T435E398-S400 PolarHBondContact O-N 3.38Å; E398-S400 VanDerWaalsContact O-N 3.12Å; S400-T402 PolarHBondContact O-N 3.49Å; S400-T435 WeakPolarHBondContact O-CG2 3.09Å
401D91.9Very high91.3Very high13 Ų1339 Ų397%0.0721%0.214CC..  trans-59.6130.6178.9-86.6-35.3000110.2V397 E398 P399 N405 V406 K409 T435 L436V397-D401 VanDerWaalsContact CA-OD2 3.28Å; V397-D401 WeakPolarHBondContact CA-OD2 3.39Å; E398-D401 PolarHBondContact N-OD2 2.86Å; E398-D401 VanDerWaalsContact O-CB 3.3Å; E398-D401 WeakPolarHBondContact O-CB 3.43Å; E398-D401 PolarHBondContact O-N 2.82Å; P399-D401 VanDerWaalsContact C-N 3.35Å; D401-N405 HydrophobicContact CB-CB 4.2Å; D401-N405 PolarHBondContact OD1-ND2 2.88Å; D401-N405 VanDerWaalsContact OD1-ND2 3.12Å; D401-V406 HydrophobicContact CB-CG2 4.41Å; D401-K409 VanDerWaalsContact OD2-CE 3.27Å; D401-K409 WeakPolarHBondContact OD2-CE 3.3Å; D401-K409 IonicContact OD2-NZ 3.31Å; D401-T435 CarbonylContact O-C 3.57Å; D401-T435 VanDerWaalsContact O-CA 3.22Å; D401-T435 WeakPolarHBondContact O-CA 3.47Å; D401-L436 HydrophobicContact CB-CD1 4.25Å; D401-L436 PolarHBondContact O-N 2.88Å
402T94.9Very high91Very high34 Ų3440.7 Ų40.721%0.20923%0.228CC..BIsolated β-bridgetrans-72.6159.617164.30000110.6S400 E404 N405 V406 R434 T435S400-T402 PolarHBondContact O-N 3.49Å; T402-E404 PolarHBondContact O-N 2.84Å; T402-N405 WeakPolarHBondContact O-CB 3.46Å; T402-N405 PolarHBondContact O-N 3.4Å; T402-N405 PolarHBondContact OG1-N 3.38Å; T402-N405 VanDerWaalsContact OG1-N 3.13Å; T402-N405 PolarHBondContact OG1-OD1 2.99Å; T402-N405 VanDerWaalsContact OG1-OD1 3.06Å; T402-V406 WeakPolarHBondContact O-CG2 3.42Å; T402-V406 PolarHBondContact O-N 2.71Å; T402-R434 CarbonylContact C-O 3.56Å; T402-R434 VanDerWaalsContact CA-O 3.26Å; T402-R434 WeakPolarHBondContact CA-O 3.34Å; T402-T435 HydrophobicContact CG2-CG2 4.43Å
403I95.7Very high90.7Very high0 Ų043.3 Ų43.30%023%0.234CC..Hα-helixtrans-63-31174.4-61.1-57.8000111.1V406 K407 L423 L430 E431 D432 R434 L436 Y439I403-V406 PolarHBondContact O-N 2.71Å; I403-K407 VanDerWaalsContact O-CG 3.3Å; I403-K407 WeakPolarHBondContact O-CG 3.12Å; I403-K407 PolarHBondContact O-N 3.19Å; I403-L423 HydrophobicContact CG2-CD1 4.21Å; I403-L430 HydrophobicContact CB-CB 4.5Å; I403-L430 HydrophobicContact CD1-CB 3.89Å; I403-L430 HydrophobicContact CD1-CD1 3.59Å; I403-L430 HydrophobicContact CD1-CG 4.25Å; I403-L430 HydrophobicContact CG1-CB 3.87Å; I403-L430 HydrophobicContact CG2-CB 3.86Å; I403-E431 WeakPolarHBondContact CB-O 3.45Å; I403-E431 VanDerWaalsContact CG1-O 3.29Å; I403-E431 WeakPolarHBondContact CG1-O 3.5Å; I403-D432 PolarHBondContact N-O 3.38Å; I403-R434 WeakPolarHBondContact CG1-O 3.25Å; I403-R434 PolarHBondContact N-O 3.33Å; I403-L436 HydrophobicContact CD1-CD2 3.88Å; I403-Y439 HydrophobicContact CD1-CD2 4.32Å; I403-Y439 HydrophobicContact CD1-CE2 4.35Å; I403-Y439 HydrophobicContact CG1-CD2 4.43Å; I403-Y439 HydrophobicContact CG1-CE2 4.01Å
404E93.9Very high90.5Very high117 Ų11746.1 Ų46.155%0.54725%0.247SC..Hα-helixtrans-59.5-46.4169.1-169.3171.7-164.500112.2T402 V406 K407 A408 D432T402-E404 PolarHBondContact O-N 2.84Å; E404-V406 VanDerWaalsContact C-N 3.31Å; E404-V406 PolarHBondContact O-N 3.03Å; E404-K407 WeakPolarHBondContact O-CB 3.47Å; E404-K407 PolarHBondContact O-N 3.44Å; E404-K407 VanDerWaalsContact O-N 3.14Å; E404-A408 PolarHBondContact O-N 2.72Å; E404-D432 HydrophobicContact CB-CB 4.28Å; E404-D432 PolarHBondContact N-O 2.9Å; E404-D432 VanDerWaalsContact N-O 3.16Å
405N93Very high90Very high69 Ų6946.3 Ų46.337%0.36926%0.259SS..Hα-helixtrans-59-42.9174.2-64.5-2.5000111.6D401 T402 K407 A408 K409D401-N405 HydrophobicContact CB-CB 4.2Å; D401-N405 PolarHBondContact OD1-ND2 2.88Å; D401-N405 VanDerWaalsContact OD1-ND2 3.12Å; T402-N405 WeakPolarHBondContact O-CB 3.46Å; T402-N405 PolarHBondContact O-N 3.4Å; T402-N405 PolarHBondContact OG1-N 3.38Å; T402-N405 VanDerWaalsContact OG1-N 3.13Å; T402-N405 PolarHBondContact OG1-OD1 2.99Å; T402-N405 VanDerWaalsContact OG1-OD1 3.06Å; N405-K407 VanDerWaalsContact C-N 3.3Å; N405-K407 PolarHBondContact O-N 2.9Å; N405-A408 PolarHBondContact O-N 3.01Å; N405-K409 WeakPolarHBondContact O-CG 3.16Å; N405-K409 PolarHBondContact O-N 2.87Å
406V94.6Very high89.7Confident0 Ų047.5 Ų47.50%027%0.265CS..Hα-helixtrans-62.6-40.1177.91780000110.8I383 L395 V397 D401 T402 I403 E404 K409 I410 L423 L436I383-V406 HydrophobicContact CD1-CG1 4.36Å; L395-V406 HydrophobicContact CD1-CG1 3.89Å; V397-V406 HydrophobicContact CG1-CG2 4.28Å; D401-V406 HydrophobicContact CB-CG2 4.41Å; T402-V406 WeakPolarHBondContact O-CG2 3.42Å; T402-V406 PolarHBondContact O-N 2.71Å; I403-V406 PolarHBondContact O-N 2.71Å; E404-V406 VanDerWaalsContact C-N 3.31Å; E404-V406 PolarHBondContact O-N 3.03Å; V406-K409 PolarHBondContact O-N 2.79Å; V406-I410 HydrophobicContact CG1-CD1 4.26Å; V406-I410 WeakPolarHBondContact O-CG1 3.46Å; V406-I410 PolarHBondContact O-N 3.15Å; V406-L423 HydrophobicContact CB-CD1 4.34Å; V406-L423 HydrophobicContact CG1-CD1 3.77Å; V406-L436 HydrophobicContact CG2-CD1 3.96Å; V406-L436 HydrophobicContact CG2-CD2 3.93Å; V406-L436 HydrophobicContact CG2-CG 4Å
407K94.8Very high89.6Confident5 Ų546.1 Ų46.12%0.02226%0.26CS..Hα-helixtrans-65.7-43.1175.9-72.7171.8166.4-166.60112.1I403 E404 N405 K409 I410 Q411 P418 Q421 L423 D432I403-K407 VanDerWaalsContact O-CG 3.3Å; I403-K407 WeakPolarHBondContact O-CG 3.12Å; I403-K407 PolarHBondContact O-N 3.19Å; E404-K407 WeakPolarHBondContact O-CB 3.47Å; E404-K407 PolarHBondContact O-N 3.44Å; E404-K407 VanDerWaalsContact O-N 3.14Å; N405-K407 VanDerWaalsContact C-N 3.3Å; N405-K407 PolarHBondContact O-N 2.9Å; K407-K409 VanDerWaalsContact C-N 3.3Å; K407-K409 PolarHBondContact O-N 2.89Å; K407-I410 WeakPolarHBondContact O-CB 3.1Å; K407-I410 PolarHBondContact O-N 2.84Å; K407-I410 VanDerWaalsContact O-N 3.1Å; K407-Q411 PolarHBondContact O-N 2.86Å; K407-P418 HydrophobicContact CB-CB 3.81Å; K407-P418 HydrophobicContact CB-CG 4.21Å; K407-P418 HydrophobicContact CD-CB 4.11Å; K407-P418 WeakPolarHBondContact CD-O 3.32Å; K407-P418 WeakPolarHBondContact CE-O 3.37Å; K407-P418 PolarHBondContact NZ-O 3.19Å; K407-P418 VanDerWaalsContact NZ-O 3.13Å; K407-Q421 HydrophobicContact CD-CB 4.35Å; K407-Q421 VanDerWaalsContact CE-O 3.22Å; K407-Q421 WeakPolarHBondContact CE-O 3.25Å; K407-Q421 HydrophobicContact CG-CB 4.02Å; K407-Q421 PolarHBondContact NZ-O 3.06Å; K407-Q421 PolarHBondContact O-NE2 3.33Å; K407-Q421 PolarHBondContact O-OE1 3.19Å; K407-L423 HydrophobicContact CG-CD1 3.96Å; K407-D432 WeakPolarHBondContact CE-OD1 3.47Å; K407-D432 IonicContact NZ-OD1 2.81Å; K407-D432 PolarHBondContact NZ-OD1 3.25Å; K407-D432 IonicContact NZ-OD2 3Å; K407-D432 PolarHBondContact NZ-OD2 3.27Å
408A90.1Very high89.4Confident37 Ų3747 Ų4731%0.30627%0.265SS..Hα-helixtrans-57.4-45.1173.300000110.9E404 N405 I410 Q411 D412E404-A408 PolarHBondContact O-N 2.72Å; N405-A408 PolarHBondContact O-N 3.01Å; A408-I410 VanDerWaalsContact C-N 3.27Å; A408-I410 PolarHBondContact O-N 3.4Å; A408-Q411 CarbonylContact O-C 3.53Å; A408-Q411 WeakPolarHBondContact O-CA 3.48Å; A408-Q411 VanDerWaalsContact O-CB 3.31Å; A408-Q411 WeakPolarHBondContact O-CB 3.35Å; A408-Q411 PolarHBondContact O-N 2.93Å; A408-D412 VanDerWaalsContact O-CG 3.3Å; A408-D412 PolarHBondContact O-N 3.2Å
409K91.4Very high89.1Confident49 Ų4947.8 Ų47.821%0.21327%0.271CS..Hα-helixtrans-60.1-33.2175-69.2168.3-174-89.60113.5L395 E396 V397 D401 N405 V406 K407 K413L395-K409 HydrophobicContact CD2-CB 4.32Å; E396-K409 PolarHBondContact O-NZ 3.33Å; V397-K409 HydrophobicContact CG1-CD 4.06Å; D401-K409 VanDerWaalsContact OD2-CE 3.27Å; D401-K409 WeakPolarHBondContact OD2-CE 3.3Å; D401-K409 IonicContact OD2-NZ 3.31Å; N405-K409 WeakPolarHBondContact O-CG 3.16Å; N405-K409 PolarHBondContact O-N 2.87Å; V406-K409 PolarHBondContact O-N 2.79Å; K407-K409 VanDerWaalsContact C-N 3.3Å; K407-K409 PolarHBondContact O-N 2.89Å; K409-K413 WeakPolarHBondContact O-CG 3.24Å; K409-K413 PolarHBondContact O-N 3.11Å
410I91.4Very high88.9Confident0 Ų046.3 Ų46.30%026%0.258CS..Hα-helixtrans-72.6-40.2173.8-67.4162.6000110.5V385 L395 V406 K407 A408 D412 K413 E414 I416 Q421 L423 L449V385-I410 HydrophobicContact CG1-CD1 4.08Å; V385-I410 HydrophobicContact CG2-CD1 4.15Å; L395-I410 HydrophobicContact CD1-CD1 4.07Å; L395-I410 HydrophobicContact CD1-CG1 3.54Å; L395-I410 HydrophobicContact CD2-CG1 4.35Å; L395-I410 HydrophobicContact CG-CG1 4.5Å; V406-I410 HydrophobicContact CG1-CD1 4.26Å; V406-I410 WeakPolarHBondContact O-CG1 3.46Å; V406-I410 PolarHBondContact O-N 3.15Å; K407-I410 WeakPolarHBondContact O-CB 3.1Å; K407-I410 PolarHBondContact O-N 2.84Å; K407-I410 VanDerWaalsContact O-N 3.1Å; A408-I410 VanDerWaalsContact C-N 3.27Å; A408-I410 PolarHBondContact O-N 3.4Å; I410-D412 VanDerWaalsContact C-N 3.32Å; I410-D412 PolarHBondContact O-N 3.47Å; I410-K413 PolarHBondContact O-N 3.22Å; I410-E414 HydrophobicContact CG2-CB 4.48Å; I410-E414 WeakPolarHBondContact O-CB 3.49Å; I410-E414 PolarHBondContact O-N 3.26Å; I410-I416 HydrophobicContact CG2-CD1 4.36Å; I410-Q421 VanDerWaalsContact CB-OE1 3.28Å; I410-Q421 VanDerWaalsContact CD1-OE1 3.23Å; I410-Q421 HydrophobicContact CG2-CG 4.48Å; I410-L423 HydrophobicContact CD1-CD1 3.97Å; I410-L423 HydrophobicContact CD1-CD2 3.71Å; I410-L423 HydrophobicContact CD1-CG 4.35Å; I410-L449 HydrophobicContact CG2-CD2 3.95Å
411Q88.5Confident88.9Confident50 Ų5042.8 Ų42.823%0.23423%0.233CC..Hα-helixtrans-59.4-45.8174.6-175.7-178.918.100110.5K407 A408 K413 G415 I416 P418K407-Q411 PolarHBondContact O-N 2.86Å; A408-Q411 CarbonylContact O-C 3.53Å; A408-Q411 WeakPolarHBondContact O-CA 3.48Å; A408-Q411 VanDerWaalsContact O-CB 3.31Å; A408-Q411 WeakPolarHBondContact O-CB 3.35Å; A408-Q411 PolarHBondContact O-N 2.93Å; Q411-K413 VanDerWaalsContact C-N 3.25Å; Q411-K413 PolarHBondContact O-N 2.89Å; Q411-G415 WeakPolarHBondContact O-CA 3.2Å; Q411-G415 PolarHBondContact O-N 3.14Å; Q411-I416 VanDerWaalsContact CA-O 3.26Å; Q411-I416 WeakPolarHBondContact CA-O 3.31Å; Q411-I416 WeakPolarHBondContact CB-O 3.42Å; Q411-I416 WeakPolarHBondContact CG-O 3.26Å; Q411-P418 VanDerWaalsContact CD-CD 3.46Å
412D83.2Confident88.9Confident135 Ų13546.8 Ų46.872%0.72225%0.247SC*.Hα-helixtrans-61.3-34.9178.9-65.4-23.8000112.4A408 I410A408-D412 VanDerWaalsContact O-CG 3.3Å; A408-D412 PolarHBondContact O-N 3.2Å; I410-D412 VanDerWaalsContact C-N 3.32Å; I410-D412 PolarHBondContact O-N 3.47Å
413K86.9Confident88.9Confident118 Ų11845.2 Ų45.251%0.51324%0.238SC..Hα-helixtrans-87.4-35-178.7-72.4-159.9-176.3-165.10114.8I393 T394 L395 K409 I410 Q411I393-K413 HydrophobicContact CG2-CD 4.25Å; T394-K413 PolarHBondContact O-NZ 3.48Å; L395-K413 HydrophobicContact CD2-CD 3.82Å; K409-K413 WeakPolarHBondContact O-CG 3.24Å; K409-K413 PolarHBondContact O-N 3.11Å; I410-K413 PolarHBondContact O-N 3.22Å; Q411-K413 VanDerWaalsContact C-N 3.25Å; Q411-K413 PolarHBondContact O-N 2.89Å
414E85.8Confident88.9Confident66 Ų6647 Ų4731%0.30825%0.247SC..Hα-helixtrans-123.1-3.1-168.4-62-71.5141.400113K391 I393 I410 I416K391-E414 WeakPolarHBondContact CE-OE1 3.48Å; K391-E414 IonicContact NZ-OE1 3.68Å; K391-E414 PolarHBondContact NZ-OE1 3.38Å; K391-E414 IonicContact NZ-OE2 3.06Å; K391-E414 PolarHBondContact NZ-OE2 2.67Å; I393-E414 HydrophobicContact CD1-CG 3.6Å; I393-E414 HydrophobicContact CG1-CG 3.99Å; I393-E414 HydrophobicContact CG2-CG 4.44Å; I410-E414 HydrophobicContact CG2-CB 4.48Å; I410-E414 WeakPolarHBondContact O-CB 3.49Å; I410-E414 PolarHBondContact O-N 3.26Å; E414-I416 HydrophobicContact CB-CD1 3.72Å; E414-I416 HydrophobicContact CB-CG1 4.07Å; E414-I416 PolarHBondContact O-N 3.27Å
415G80.1Confident89Confident57 Ų5743.4 Ų43.459%0.58823%0.229SC*.  trans71.212.418000000114.6Q411 P417Q411-G415 WeakPolarHBondContact O-CA 3.2Å; Q411-G415 PolarHBondContact O-N 3.14Å; G415-P417 WeakPolarHBondContact O-CD 3.34Å
416I83.8Confident88.9Confident26 Ų2644.4 Ų44.413%0.13325%0.247CC..  trans-89.5117.9-175.3-57.2158.9000109.5I410 Q411 E414 Q420 Q421 L449 L451I410-I416 HydrophobicContact CG2-CD1 4.36Å; Q411-I416 VanDerWaalsContact CA-O 3.26Å; Q411-I416 WeakPolarHBondContact CA-O 3.31Å; Q411-I416 WeakPolarHBondContact CB-O 3.42Å; Q411-I416 WeakPolarHBondContact CG-O 3.26Å; E414-I416 HydrophobicContact CB-CD1 3.72Å; E414-I416 HydrophobicContact CB-CG1 4.07Å; E414-I416 PolarHBondContact O-N 3.27Å; I416-Q420 HydrophobicContact CG2-CB 4.22Å; I416-Q421 HydrophobicContact CB-CG 4.29Å; I416-Q421 HydrophobicContact CG2-CG 3.6Å; I416-Q421 PolarHBondContact O-NE2 2.98Å; I416-L449 HydrophobicContact CD1-CD2 3.95Å; I416-L451 HydrophobicContact CD1-CD2 4.01Å; I416-L451 HydrophobicContact CG1-CD2 4.41Å; I416-L451 HydrophobicContact CG2-CD2 3.59Å
417P83.2Confident88.6Confident10 Ų1047.9 Ų47.97%0.06528%0.283CS..  trans-59.7139.6178.3-27.638.1000113.9G415 D419 Q420 Q421G415-P417 WeakPolarHBondContact O-CD 3.34Å; P417-D419 VanDerWaalsContact C-N 3.27Å; P417-D419 VanDerWaalsContact CB-OD1 3.24Å; P417-D419 WeakPolarHBondContact CB-OD1 3.43Å; P417-D419 PolarHBondContact O-N 2.81Å; P417-Q420 HydrophobicContact CB-CG 4.39Å; P417-Q420 WeakPolarHBondContact O-CB 3.42Å; P417-Q420 PolarHBondContact O-N 3.28Å; P417-Q421 WeakPolarHBondContact O-CG 3.31Å; P417-Q421 PolarHBondContact O-N 3.41Å
418P87.4Confident88.5Confident21 Ų2154.6 Ų54.614%0.13631%0.312CS..THydrogen-bonded Turntrans-52.9-33.3-177.7-33.336.9000116.2K407 Q411 Q420 Q421 E474K407-P418 HydrophobicContact CB-CB 3.81Å; K407-P418 HydrophobicContact CB-CG 4.21Å; K407-P418 HydrophobicContact CD-CB 4.11Å; K407-P418 WeakPolarHBondContact CD-O 3.32Å; K407-P418 WeakPolarHBondContact CE-O 3.37Å; K407-P418 PolarHBondContact NZ-O 3.19Å; K407-P418 VanDerWaalsContact NZ-O 3.13Å; Q411-P418 VanDerWaalsContact CD-CD 3.46Å; P418-Q420 VanDerWaalsContact C-N 3.33Å; P418-Q421 PolarHBondContact O-N 3.32Å; P418-E474 WeakPolarHBondContact CD-OE1 3.41Å
419D81.2Confident88.7Confident54 Ų5456.9 Ų56.929%0.28932%0.317SS..THydrogen-bonded Turntrans-68.7-31.217866-18.1000112.6P417 Q421 R452 G456P417-D419 VanDerWaalsContact C-N 3.27Å; P417-D419 VanDerWaalsContact CB-OD1 3.24Å; P417-D419 WeakPolarHBondContact CB-OD1 3.43Å; P417-D419 PolarHBondContact O-N 2.81Å; D419-Q421 VanDerWaalsContact C-N 3.31Å; D419-R452 PolarHBondContact O-NH1 2.86Å; D419-G456 WeakPolarHBondContact OD2-CA 3.32Å
420Q85.1Confident88.9Confident37 Ų3754.8 Ų54.817%0.17331%0.308CS..THydrogen-bonded Turntrans-76.9-19172.9-61.9-174.62.700112.6I416 P417 P418 R452I416-Q420 HydrophobicContact CG2-CB 4.22Å; P417-Q420 HydrophobicContact CB-CG 4.39Å; P417-Q420 WeakPolarHBondContact O-CB 3.42Å; P417-Q420 PolarHBondContact O-N 3.28Å; P418-Q420 VanDerWaalsContact C-N 3.33Å; Q420-R452 PolarHBondContact O-N 3.1Å
421Q90.9Very high89Confident0 Ų059.6 Ų59.60%033%0.33CS..EExtended strand (participates in β ladder)trans-84.2121.9-177.2-62.1179.94000112.3K407 I410 I416 P417 P418 D419 L449 R452K407-Q421 HydrophobicContact CD-CB 4.35Å; K407-Q421 VanDerWaalsContact CE-O 3.22Å; K407-Q421 WeakPolarHBondContact CE-O 3.25Å; K407-Q421 HydrophobicContact CG-CB 4.02Å; K407-Q421 PolarHBondContact NZ-O 3.06Å; K407-Q421 PolarHBondContact O-NE2 3.33Å; K407-Q421 PolarHBondContact O-OE1 3.19Å; I410-Q421 VanDerWaalsContact CB-OE1 3.28Å; I410-Q421 VanDerWaalsContact CD1-OE1 3.23Å; I410-Q421 HydrophobicContact CG2-CG 4.48Å; I416-Q421 HydrophobicContact CB-CG 4.29Å; I416-Q421 HydrophobicContact CG2-CG 3.6Å; I416-Q421 PolarHBondContact O-NE2 2.98Å; P417-Q421 WeakPolarHBondContact O-CG 3.31Å; P417-Q421 PolarHBondContact O-N 3.41Å; P418-Q421 PolarHBondContact O-N 3.32Å; D419-Q421 VanDerWaalsContact C-N 3.31Å; Q421-L449 HydrophobicContact CB-CD1 3.74Å; Q421-L449 HydrophobicContact CG-CD1 3.94Å; Q421-R452 VanDerWaalsContact C-NH1 3.3Å; Q421-R452 PolarHBondContact O-NH1 3.33Å
422R90.9Very high89.1Confident98 Ų9860.3 Ų60.337%0.3734%0.336SS..EExtended strand (participates in β ladder)trans-111.9104.9167.1-174-176.7-169.8-165.11.1109.4I424 Q429 V450 R452R422-I424 HydrophobicContact CG-CG1 4.39Å; R422-Q429 HydrophobicContact CG-CG 4.18Å; R422-Q429 VanDerWaalsContact CZ-OE1 3.28Å; R422-V450 WeakPolarHBondContact CA-O 3.32Å; R422-V450 HydrophobicContact CB-CB 4.2Å; R422-V450 WeakPolarHBondContact CB-O 3.19Å; R422-V450 PolarHBondContact N-O 2.78Å; R422-V450 PolarHBondContact O-N 2.77Å; R422-R452 HydrophobicContact CB-CG 4.38Å
423L95Very high89.6Confident1 Ų157.3 Ų57.31%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-88.9136175.8-64.5176.6000111V385 I403 V406 K407 I410 L430 L447 H448 L449V385-L423 HydrophobicContact CG1-CD2 4.03Å; I403-L423 HydrophobicContact CG2-CD1 4.21Å; V406-L423 HydrophobicContact CB-CD1 4.34Å; V406-L423 HydrophobicContact CG1-CD1 3.77Å; K407-L423 HydrophobicContact CG-CD1 3.96Å; I410-L423 HydrophobicContact CD1-CD1 3.97Å; I410-L423 HydrophobicContact CD1-CD2 3.71Å; I410-L423 HydrophobicContact CD1-CG 4.35Å; L423-L430 HydrophobicContact CB-CB 4.24Å; L423-L430 HydrophobicContact CB-CD1 3.99Å; L423-L430 HydrophobicContact CB-CG 4.34Å; L423-L430 PolarHBondContact O-N 3.22Å; L423-L447 HydrophobicContact CD1-CD2 4.35Å; L423-H448 CarbonylContact C-O 3.44Å; L423-H448 WeakPolarHBondContact CA-O 3.32Å; L423-L449 HydrophobicContact CD2-CB 4.06Å; L423-L449 HydrophobicContact CD2-CD1 3.8Å
424I95.2Very high90Very high36 Ų3657 Ų5719%0.18533%0.332CS..EExtended strand (participates in β ladder)trans-130.5130.3-178.7-55.6176.3000108.7R422 K428 H448 V450R422-I424 HydrophobicContact CG-CG1 4.39Å; I424-K428 CarbonylContact C-O 3.47Å; I424-K428 VanDerWaalsContact CA-O 3.28Å; I424-K428 WeakPolarHBondContact CA-O 3.33Å; I424-K428 WeakPolarHBondContact CG2-O 3.47Å; I424-H448 HydrophobicContact CB-CB 4.33Å; I424-H448 PolarHBondContact N-O 2.77Å; I424-H448 PolarHBondContact O-N 2.82Å; I424-V450 HydrophobicContact CD1-CG2 3.92Å
425F96.5Very high90.4Very high43 Ų4355.2 Ų55.219%0.18933%0.326CS..EExtended strand (participates in β ladder)trans-133.7135.6173.2-178-112.2000109.6G427 K428 L430 I441 T446 L447F425-G427 PolarHBondContact O-N 3.36Å; F425-G427 VanDerWaalsContact O-N 3.08Å; F425-K428 PolarHBondContact N-O 3.4Å; F425-K428 PolarHBondContact O-N 3.13Å; F425-L430 HydrophobicContact CB-CD1 4.07Å; F425-L430 HydrophobicContact CB-CD2 3.93Å; F425-L430 HydrophobicContact CB-CG 4.27Å; F425-I441 HydrophobicContact CB-CD1 4.3Å; F425-I441 HydrophobicContact CD1-CD1 4.08Å; F425-I441 HydrophobicContact CD1-CG1 3.54Å; F425-I441 HydrophobicContact CD2-CG1 4.3Å; F425-I441 HydrophobicContact CE1-CG1 3.61Å; F425-I441 HydrophobicContact CE2-CG1 4.37Å; F425-I441 HydrophobicContact CG-CD1 4.12Å; F425-I441 HydrophobicContact CG-CG1 3.9Å; F425-I441 HydrophobicContact CZ-CG1 4.04Å; F425-T446 WeakPolarHBondContact CD2-O 3.32Å; F425-L447 HydrophobicContact CB-CG 4.3Å; F425-L447 HydrophobicContact CD2-CD1 4.08Å; F425-L447 HydrophobicContact CD2-CG 4.42Å
426A91.2Very high91.1Very high89 Ų8952.5 Ų52.574%0.73630%0.298SS*.THydrogen-bonded Turntrans47.739.1-177.600000113.9K428A426-K428 PolarHBondContact O-N 2.87Å
427G89.1Confident91.6Very high74 Ų7454.2 Ų54.276%0.76331%0.312SS*.THydrogen-bonded Turntrans76.1-3.6-179.100000115.7F425F425-G427 PolarHBondContact O-N 3.36Å; F425-G427 VanDerWaalsContact O-N 3.08Å
428K92.7Very high92.1Very high146 Ų14658.4 Ų58.464%0.63533%0.334SS*.EExtended strand (participates in β ladder)trans-100.3137.5177.7-66.1-175-179.8179.30111I424 F425 A426I424-K428 CarbonylContact C-O 3.47Å; I424-K428 VanDerWaalsContact CA-O 3.28Å; I424-K428 WeakPolarHBondContact CA-O 3.33Å; I424-K428 WeakPolarHBondContact CG2-O 3.47Å; F425-K428 PolarHBondContact N-O 3.4Å; F425-K428 PolarHBondContact O-N 3.13Å; A426-K428 PolarHBondContact O-N 2.87Å
429Q92.7Very high92.5Very high85 Ų8559.2 Ų59.240%0.39734%0.335SS..EExtended strand (participates in β ladder)trans-71.1133.3169.2178.1176.1-29.800109.2R422R422-Q429 HydrophobicContact CG-CG 4.18Å; R422-Q429 VanDerWaalsContact CZ-OE1 3.28Å
430L96.2Very high93.1Very high4 Ų461.9 Ų61.92%0.02135%0.349CS..PPolyproline II helixtrans-83136.6178.6-57.2-174.9000110.3I403 L423 F425 Y439 I441 L447I403-L430 HydrophobicContact CB-CB 4.5Å; I403-L430 HydrophobicContact CD1-CB 3.89Å; I403-L430 HydrophobicContact CD1-CD1 3.59Å; I403-L430 HydrophobicContact CD1-CG 4.25Å; I403-L430 HydrophobicContact CG1-CB 3.87Å; I403-L430 HydrophobicContact CG2-CB 3.86Å; L423-L430 HydrophobicContact CB-CB 4.24Å; L423-L430 HydrophobicContact CB-CD1 3.99Å; L423-L430 HydrophobicContact CB-CG 4.34Å; L423-L430 PolarHBondContact O-N 3.22Å; F425-L430 HydrophobicContact CB-CD1 4.07Å; F425-L430 HydrophobicContact CB-CD2 3.93Å; F425-L430 HydrophobicContact CB-CG 4.27Å; L430-Y439 HydrophobicContact CB-CE2 4.34Å; L430-Y439 HydrophobicContact CD2-CD1 3.58Å; L430-Y439 HydrophobicContact CD2-CD2 3.67Å; L430-Y439 HydrophobicContact CD2-CE1 3.7Å; L430-Y439 HydrophobicContact CD2-CE2 3.76Å; L430-Y439 HydrophobicContact CD2-CG 3.57Å; L430-I441 HydrophobicContact CD1-CD1 3.95Å; L430-L447 HydrophobicContact CD1-CD2 3.55Å; L430-L447 HydrophobicContact CD1-CG 4.08Å
431E94.1Very high93.5Very high102 Ų10260.2 Ų60.248%0.47734%0.342SS..PPolyproline II helixtrans-96.5134.8179.7-63.4169-174.100110.6I403 G433 R434 Y439I403-E431 WeakPolarHBondContact CB-O 3.45Å; I403-E431 VanDerWaalsContact CG1-O 3.29Å; I403-E431 WeakPolarHBondContact CG1-O 3.5Å; E431-G433 VanDerWaalsContact C-N 3.33Å; E431-G433 PolarHBondContact O-N 2.94Å; E431-R434 HydrophobicContact CB-CG 4.37Å; E431-R434 PolarHBondContact O-N 3.1Å; E431-R434 VanDerWaalsContact O-N 3.13Å; E431-R434 IonicContact OE1-NH2 3.3Å; E431-R434 IonicContact OE2-CZ 2.67Å; E431-R434 VanDerWaalsContact OE2-CZ 3.31Å; E431-R434 IonicContact OE2-NE 2.81Å; E431-R434 PolarHBondContact OE2-NE 3.06Å; E431-R434 IonicContact OE2-NH2 2.98Å; E431-R434 PolarHBondContact OE2-NH2 3.14Å; E431-Y439 WeakPolarHBondContact CB-OH 3.49Å; E431-Y439 PolarHBondContact N-OH 2.95Å
432D91.1Very high93.6Very high64 Ų6465.3 Ų65.334%0.34237%0.365SS..THydrogen-bonded Turntrans-57.1-40.9-169.8-68-3.5000113.7I403 E404 K407 R434I403-D432 PolarHBondContact N-O 3.38Å; E404-D432 HydrophobicContact CB-CB 4.28Å; E404-D432 PolarHBondContact N-O 2.9Å; E404-D432 VanDerWaalsContact N-O 3.16Å; K407-D432 WeakPolarHBondContact CE-OD1 3.47Å; K407-D432 IonicContact NZ-OD1 2.81Å; K407-D432 PolarHBondContact NZ-OD1 3.25Å; K407-D432 IonicContact NZ-OD2 3Å; K407-D432 PolarHBondContact NZ-OD2 3.27Å; D432-R434 VanDerWaalsContact C-N 3.32Å; D432-R434 PolarHBondContact O-N 3.31Å
433G92.3Very high93.6Very high73 Ų7366 Ų6675%0.75337%0.371SS*.THydrogen-bonded Turntrans-80.5-1-177.800000115.9E431E431-G433 VanDerWaalsContact C-N 3.33Å; E431-G433 PolarHBondContact O-N 2.94Å
434R95.4Very high93.4Very high111 Ų11172 Ų7242%0.41940%0.399SS..SBendtrans-96.8156.1175.6-67.1-158.3-154.2-164-0.5111T402 I403 E431 D432 D438 Y439T402-R434 CarbonylContact C-O 3.56Å; T402-R434 VanDerWaalsContact CA-O 3.26Å; T402-R434 WeakPolarHBondContact CA-O 3.34Å; I403-R434 WeakPolarHBondContact CG1-O 3.25Å; I403-R434 PolarHBondContact N-O 3.33Å; E431-R434 HydrophobicContact CB-CG 4.37Å; E431-R434 PolarHBondContact O-N 3.1Å; E431-R434 VanDerWaalsContact O-N 3.13Å; E431-R434 IonicContact OE1-NH2 3.3Å; E431-R434 IonicContact OE2-CZ 2.67Å; E431-R434 VanDerWaalsContact OE2-CZ 3.31Å; E431-R434 IonicContact OE2-NE 2.81Å; E431-R434 PolarHBondContact OE2-NE 3.06Å; E431-R434 IonicContact OE2-NH2 2.98Å; E431-R434 PolarHBondContact OE2-NH2 3.14Å; D432-R434 VanDerWaalsContact C-N 3.32Å; D432-R434 PolarHBondContact O-N 3.31Å; R434-D438 HydrophobicContact CB-CB 4.24Å; R434-Y439 HydrophobicContact CB-CD2 4.34Å; R434-Y439 HydrophobicContact CB-CE2 3.5Å; R434-Y439 WeakPolarHBondContact CD-OH 3.36Å; R434-Y439 HydrophobicContact CG-CE2 4.31Å
435T94.7Very high93.5Very high28 Ų2871.3 Ų71.317%0.17240%0.397CS..BIsolated β-bridgetrans-88.1163.4177.468.10000112.3S400 D401 T402 S437 D438 Y439S400-T435 WeakPolarHBondContact O-CG2 3.09Å; D401-T435 CarbonylContact O-C 3.57Å; D401-T435 VanDerWaalsContact O-CA 3.22Å; D401-T435 WeakPolarHBondContact O-CA 3.47Å; T402-T435 HydrophobicContact CG2-CG2 4.43Å; T435-S437 PolarHBondContact O-N 3.27Å; T435-S437 PolarHBondContact OG1-N 3.18Å; T435-S437 PolarHBondContact OG1-OG 3.31Å; T435-D438 PolarHBondContact N-OD2 2.86Å; T435-D438 WeakPolarHBondContact O-CB 3.29Å; T435-D438 PolarHBondContact O-N 2.83Å; T435-D438 PolarHBondContact OG1-N 3Å; T435-D438 VanDerWaalsContact OG1-N 3.15Å; T435-D438 PolarHBondContact OG1-OD2 3.45Å; T435-Y439 WeakPolarHBondContact O-CD2 3.26Å
436L94.4Very high93.4Very high0 Ų071.4 Ų71.40%040%0.402CS..THydrogen-bonded Turntrans-58.2-37.8169.7-71.2-178.4000112M381 I383 V397 D401 I403 V406 D438 Y439 N440 I441M381-L436 HydrophobicContact CE-CD1 4.48Å; I383-L436 HydrophobicContact CD1-CD1 4.23Å; I383-L436 HydrophobicContact CD1-CD2 4.4Å; V397-L436 HydrophobicContact CB-CD1 3.55Å; V397-L436 HydrophobicContact CG1-CD1 4.09Å; V397-L436 HydrophobicContact CG2-CD1 3.41Å; V397-L436 VanDerWaalsContact CG2-CD1 3.41Å; D401-L436 HydrophobicContact CB-CD1 4.25Å; D401-L436 PolarHBondContact O-N 2.88Å; I403-L436 HydrophobicContact CD1-CD2 3.88Å; V406-L436 HydrophobicContact CG2-CD1 3.96Å; V406-L436 HydrophobicContact CG2-CD2 3.93Å; V406-L436 HydrophobicContact CG2-CG 4Å; L436-D438 VanDerWaalsContact C-N 3.34Å; L436-D438 PolarHBondContact O-N 3.33Å; L436-Y439 PolarHBondContact O-N 3.33Å; L436-N440 PolarHBondContact O-N 3.18Å; L436-I441 HydrophobicContact CB-CB 4.23Å; L436-I441 HydrophobicContact CD2-CB 4.13Å; L436-I441 HydrophobicContact CD2-CD1 3.48Å; L436-I441 VanDerWaalsContact CD2-CD1 3.48Å; L436-I441 HydrophobicContact CD2-CG1 4.38Å; L436-I441 HydrophobicContact CD2-CG2 4.07Å; L436-I441 PolarHBondContact O-N 3.2Å
437S93.8Very high93.7Very high62 Ų6267.2 Ų67.243%0.43437%0.366SS..G310 helixtrans-64.2-35.4177.273.70000113P399 T435 Y439 N440P399-S437 VanDerWaalsContact O-CB 3.25Å; P399-S437 WeakPolarHBondContact O-CB 3.45Å; P399-S437 PolarHBondContact O-N 3.45Å; P399-S437 PolarHBondContact O-OG 3.43Å; T435-S437 PolarHBondContact O-N 3.27Å; T435-S437 PolarHBondContact OG1-N 3.18Å; T435-S437 PolarHBondContact OG1-OG 3.31Å; S437-Y439 PolarHBondContact O-N 3.02Å; S437-N440 WeakPolarHBondContact O-CA 3.24Å; S437-N440 PolarHBondContact O-N 2.86Å
438D94.9Very high94Very high98 Ų9868.3 Ų68.352%0.52435%0.352SS..G310 helixtrans-61.9-29.1176.8-65.7-44.3000112.6R434 T435 L436R434-D438 HydrophobicContact CB-CB 4.24Å; T435-D438 PolarHBondContact N-OD2 2.86Å; T435-D438 WeakPolarHBondContact O-CB 3.29Å; T435-D438 PolarHBondContact O-N 2.83Å; T435-D438 PolarHBondContact OG1-N 3Å; T435-D438 VanDerWaalsContact OG1-N 3.15Å; T435-D438 PolarHBondContact OG1-OD2 3.45Å; L436-D438 VanDerWaalsContact C-N 3.34Å; L436-D438 PolarHBondContact O-N 3.33Å
439Y94.7Very high94Very high38 Ų3861.6 Ų61.615%0.14932%0.323CS..G310 helixtrans-94.64.6175.2-66.3-74.7000113.4I403 L430 E431 R434 T435 L436 S437 I441I403-Y439 HydrophobicContact CD1-CD2 4.32Å; I403-Y439 HydrophobicContact CD1-CE2 4.35Å; I403-Y439 HydrophobicContact CG1-CD2 4.43Å; I403-Y439 HydrophobicContact CG1-CE2 4.01Å; L430-Y439 HydrophobicContact CB-CE2 4.34Å; L430-Y439 HydrophobicContact CD2-CD1 3.58Å; L430-Y439 HydrophobicContact CD2-CD2 3.67Å; L430-Y439 HydrophobicContact CD2-CE1 3.7Å; L430-Y439 HydrophobicContact CD2-CE2 3.76Å; L430-Y439 HydrophobicContact CD2-CG 3.57Å; E431-Y439 WeakPolarHBondContact CB-OH 3.49Å; E431-Y439 PolarHBondContact N-OH 2.95Å; R434-Y439 HydrophobicContact CB-CD2 4.34Å; R434-Y439 HydrophobicContact CB-CE2 3.5Å; R434-Y439 WeakPolarHBondContact CD-OH 3.36Å; R434-Y439 HydrophobicContact CG-CE2 4.31Å; T435-Y439 WeakPolarHBondContact O-CD2 3.26Å; L436-Y439 PolarHBondContact O-N 3.33Å; S437-Y439 PolarHBondContact O-N 3.02Å; Y439-I441 PolarHBondContact O-N 2.94Å
440N93.8Very high93.8Very high111 Ų11159.3 Ų59.359%0.59432%0.315SS*.THydrogen-bonded Turntrans52.537.9-174.5-165.327000112.4L436 S437 Q442L436-N440 PolarHBondContact O-N 3.18Å; S437-N440 WeakPolarHBondContact O-CA 3.24Å; S437-N440 PolarHBondContact O-N 2.86Å; N440-Q442 PolarHBondContact O-N 3.32Å; N440-Q442 PolarHBondContact OD1-NE2 2.65Å
441I94.5Very high93.3Very high2 Ų263.4 Ų63.41%0.0134%0.336CS..  trans-75.7121.9174.6-66.4166000107M381 I383 F425 L430 L436 Y439 L447M381-I441 HydrophobicContact CE-CG2 4.37Å; M381-I441 WeakPolarHBondContact CE-O 3.13Å; I383-I441 HydrophobicContact CG2-CG2 3.97Å; F425-I441 HydrophobicContact CB-CD1 4.3Å; F425-I441 HydrophobicContact CD1-CD1 4.08Å; F425-I441 HydrophobicContact CD1-CG1 3.54Å; F425-I441 HydrophobicContact CD2-CG1 4.3Å; F425-I441 HydrophobicContact CE1-CG1 3.61Å; F425-I441 HydrophobicContact CE2-CG1 4.37Å; F425-I441 HydrophobicContact CG-CD1 4.12Å; F425-I441 HydrophobicContact CG-CG1 3.9Å; F425-I441 HydrophobicContact CZ-CG1 4.04Å; L430-I441 HydrophobicContact CD1-CD1 3.95Å; L436-I441 HydrophobicContact CB-CB 4.23Å; L436-I441 HydrophobicContact CD2-CB 4.13Å; L436-I441 HydrophobicContact CD2-CD1 3.48Å; L436-I441 VanDerWaalsContact CD2-CD1 3.48Å; L436-I441 HydrophobicContact CD2-CG1 4.38Å; L436-I441 HydrophobicContact CD2-CG2 4.07Å; L436-I441 PolarHBondContact O-N 3.2Å; Y439-I441 PolarHBondContact O-N 2.94Å; I441-L447 HydrophobicContact CD1-CD1 4.14Å; I441-L447 HydrophobicContact CD1-CD2 4.34Å; I441-L447 HydrophobicContact CD1-CG 4.42Å; I441-L447 HydrophobicContact CG2-CD1 3.96Å
442Q92.8Very high92.5Very high106 Ų10662.2 Ų62.250%0.49533%0.327SS..  trans-107.9169.7-176.1-63.5-61.4-29.600111.1N440 E444 S445N440-Q442 PolarHBondContact O-N 3.32Å; N440-Q442 PolarHBondContact OD1-NE2 2.65Å; Q442-E444 PolarHBondContact O-N 3.3Å; Q442-S445 PolarHBondContact N-OG 2.99Å; Q442-S445 WeakPolarHBondContact O-CB 3.41Å; Q442-S445 PolarHBondContact O-N 2.83Å; Q442-S445 PolarHBondContact O-OG 3.01Å
443K90.1Very high91.2Very high112 Ų11266.9 Ų66.949%0.48735%0.351SS..THydrogen-bonded Turntrans-49.2139.4170.2-176.1172.4179.71710110.6M381 S445M381-K443 HydrophobicContact CG-CB 4.15Å; K443-S445 PolarHBondContact O-N 3.35Å
444E91.2Very high89.9Confident129 Ų12974.4 Ų74.460%0.60336%0.357SS*.THydrogen-bonded Turntrans63.98.9-176.3-66.7166.6-162.600115.4Q382 F384 Q442Q382-E444 WeakPolarHBondContact O-CA 3.22Å; Q382-E444 PolarHBondContact O-N 3.17Å; F384-E444 WeakPolarHBondContact CD2-O 3.18Å; F384-E444 HydrophobicContact CE2-CB 3.92Å; F384-E444 HydrophobicContact CE2-CG 4Å; Q442-E444 PolarHBondContact O-N 3.3Å
445S96.5Very high88.4Confident21 Ų2171 Ų7115%0.14736%0.356CS..  trans-62.3147.5172.5-66.90000111.5F384 Q442 K443F384-S445 PolarHBondContact N-O 3.2Å; Q442-S445 PolarHBondContact N-OG 2.99Å; Q442-S445 WeakPolarHBondContact O-CB 3.41Å; Q442-S445 PolarHBondContact O-N 2.83Å; Q442-S445 PolarHBondContact O-OG 3.01Å; K443-S445 PolarHBondContact O-N 3.35Å
446T95.6Very high87.2Confident45 Ų4569.9 Ų69.928%0.27635%0.35SS..EExtended strand (participates in β ladder)trans-112.1118178.1-57.50000111.5F384 K386 F425F384-T446 HydrophobicContact CB-CG2 4.28Å; F384-T446 CarbonylContact O-C 3.58Å; F384-T446 VanDerWaalsContact O-CA 3.27Å; F384-T446 WeakPolarHBondContact O-CA 3.42Å; K386-T446 HydrophobicContact CB-CG2 4.22Å; K386-T446 HydrophobicContact CD-CG2 3.75Å; K386-T446 HydrophobicContact CG-CG2 3.68Å; F425-T446 WeakPolarHBondContact CD2-O 3.32Å
447L96.6Very high86.9Confident0 Ų071 Ų710%036%0.355CS..EExtended strand (participates in β ladder)trans-92.3154.4169.6-74.962.7000109.3I383 F384 V385 K386 L423 F425 L430 I441I383-L447 HydrophobicContact CD1-CD1 4.08Å; I383-L447 HydrophobicContact CD1-CD2 4.23Å; F384-L447 PolarHBondContact O-N 2.99Å; V385-L447 CarbonylContact C-O 3.48Å; V385-L447 WeakPolarHBondContact CA-O 3.33Å; V385-L447 HydrophobicContact CG2-CB 4.28Å; K386-L447 PolarHBondContact N-O 2.81Å; L423-L447 HydrophobicContact CD1-CD2 4.35Å; F425-L447 HydrophobicContact CB-CG 4.3Å; F425-L447 HydrophobicContact CD2-CD1 4.08Å; F425-L447 HydrophobicContact CD2-CG 4.42Å; L430-L447 HydrophobicContact CD1-CD2 3.55Å; L430-L447 HydrophobicContact CD1-CG 4.08Å; I441-L447 HydrophobicContact CD1-CD1 4.14Å; I441-L447 HydrophobicContact CD1-CD2 4.34Å; I441-L447 HydrophobicContact CD1-CG 4.42Å; I441-L447 HydrophobicContact CG2-CD1 3.96Å
448H95.4Very high86.6Confident98 Ų9871 Ų7145%0.45435%0.348SS..EExtended strand (participates in β ladder)trans-108.8126.3173.8-65.475000109.4K386 L423 I424K386-H448 CarbonylContact O-C 3.49Å; K386-H448 WeakPolarHBondContact O-CA 3.5Å; L423-H448 CarbonylContact C-O 3.44Å; L423-H448 WeakPolarHBondContact CA-O 3.32Å; I424-H448 HydrophobicContact CB-CB 4.33Å; I424-H448 PolarHBondContact N-O 2.77Å; I424-H448 PolarHBondContact O-N 2.82Å
449L93.5Very high86.5Confident4 Ų466.3 Ų66.32%0.02132%0.323CS..EExtended strand (participates in β ladder)trans-98120175.5176.563000110.1V385 K386 T387 I410 I416 Q421 L423 L451V385-L449 HydrophobicContact CG1-CB 3.5Å; V385-L449 VanDerWaalsContact CG1-CB 3.5Å; V385-L449 HydrophobicContact CG1-CD2 4.34Å; V385-L449 HydrophobicContact CG1-CG 4.49Å; K386-L449 PolarHBondContact O-N 3.37Å; T387-L449 HydrophobicContact CG2-CD2 4.4Å; I410-L449 HydrophobicContact CG2-CD2 3.95Å; I416-L449 HydrophobicContact CD1-CD2 3.95Å; Q421-L449 HydrophobicContact CB-CD1 3.74Å; Q421-L449 HydrophobicContact CG-CD1 3.94Å; L423-L449 HydrophobicContact CD2-CB 4.06Å; L423-L449 HydrophobicContact CD2-CD1 3.8Å; L449-L451 HydrophobicContact CD1-CD2 4.48Å; L449-L451 HydrophobicContact CD2-CD2 4.36Å; L449-L451 HydrophobicContact CG-CD2 4.3Å
450V88.9Confident86.5Confident38 Ų3867 Ų6723%0.2333%0.328CS..EExtended strand (participates in β ladder)trans-112.5127.7171.4178.20000108.3L388 R422 I424L388-V450 HydrophobicContact CD1-CG1 4.23Å; L388-V450 HydrophobicContact CD1-CG2 4.44Å; L388-V450 HydrophobicContact CD2-CG2 4.27Å; L388-V450 HydrophobicContact CG-CG2 4.41Å; R422-V450 WeakPolarHBondContact CA-O 3.32Å; R422-V450 HydrophobicContact CB-CB 4.2Å; R422-V450 WeakPolarHBondContact CB-O 3.19Å; R422-V450 PolarHBondContact N-O 2.78Å; R422-V450 PolarHBondContact O-N 2.77Å; I424-V450 HydrophobicContact CD1-CG2 3.92Å
451L84.3Confident86.5Confident89 Ų8961.8 Ų61.847%0.46630%0.299SS..EExtended strand (participates in β ladder)trans-82.7131177.9-59.3-179.6000110.5I416 L449I416-L451 HydrophobicContact CD1-CD2 4.01Å; I416-L451 HydrophobicContact CG1-CD2 4.41Å; I416-L451 HydrophobicContact CG2-CD2 3.59Å; L449-L451 HydrophobicContact CD1-CD2 4.48Å; L449-L451 HydrophobicContact CD2-CD2 4.36Å; L449-L451 HydrophobicContact CG-CD2 4.3Å
452R77.5Confident86.4Confident78 Ų7865.9 Ų65.929%0.29432%0.317SS..  trans-83.8116.6169.3-61.2-170.4-175.385.64.9108.9D419 Q420 Q421 R422 R454D419-R452 PolarHBondContact O-NH1 2.86Å; Q420-R452 PolarHBondContact O-N 3.1Å; Q421-R452 VanDerWaalsContact C-NH1 3.3Å; Q421-R452 PolarHBondContact O-NH1 3.33Å; R422-R452 HydrophobicContact CB-CG 4.38Å; R452-R454 VanDerWaalsContact C-N 3.28Å; R452-R454 PolarHBondContact O-N 3.3Å
453L65.4Low86.1Confident162 Ų16262 Ų6285%0.84830%0.301SS*.THydrogen-bonded Turntrans-72.8-13-179.8-67.4171.6000114.8
454R65Low85.6Confident231 Ų23163.6 Ų63.687%0.87231%0.314SS*.THydrogen-bonded Turntrans-13422.8-170.6-62.9-167.6-70.1-155.1-1.2114R452R452-R454 VanDerWaalsContact C-N 3.28Å; R452-R454 PolarHBondContact O-N 3.3Å
455G62.7Low85.1Confident38 Ų3863.5 Ų63.539%0.39232%0.323SS..  trans-90.8-22.1-17100000116.1
456G70.5Confident84.3Confident5 Ų565.1 Ų65.15%0.05234%0.343CS..SBendtrans-88.2159.7-165.400000116.4D419 Q458 E472D419-G456 WeakPolarHBondContact OD2-CA 3.32Å; G456-Q458 PolarHBondContact O-N 2.93Å; G456-E472 VanDerWaalsContact CA-OE2 3.27Å; G456-E472 WeakPolarHBondContact CA-OE2 3.21Å
457M87.1Confident84Confident24 Ų2467.9 Ų67.912%0.11835%0.35CS..EExtended strand (participates in β ladder)trans-70.8104.2162.7167.2-179.4164.900108I459 V473 P475 L512 I517 K519M457-I459 HydrophobicContact CE-CG2 3.94Å; M457-V473 WeakPolarHBondContact CB-O 3.26Å; M457-V473 HydrophobicContact CE-CG2 4.13Å; M457-V473 HydrophobicContact CG-CG2 4.08Å; M457-V473 WeakPolarHBondContact O-CG2 3.29Å; M457-V473 PolarHBondContact O-N 3.2Å; M457-V473 VanDerWaalsContact O-O 3.05Å; M457-V473 HydrophobicContact SD-CG2 4.45Å; M457-P475 HydrophobicContact SD-CG 3.77Å; M457-L512 HydrophobicContact CE-CD1 4.4Å; M457-I517 HydrophobicContact CE-CG2 4.3Å; M457-I517 WeakPolarHBondContact CE-O 3.38Å; M457-K519 HydrophobicContact CG-CB 4.12Å
458Q87.3Confident83.7Confident61 Ų6170.9 Ų70.929%0.28537%0.369SS..EExtended strand (participates in β ladder)trans-84.6135.5173.7-72.2178.18.200110.2G456 T470 L471 E472 E520G456-Q458 PolarHBondContact O-N 2.93Å; Q458-T470 HydrophobicContact CB-CG2 4.28Å; Q458-T470 HydrophobicContact CG-CG2 4.27Å; Q458-L471 CarbonylContact C-O 3.45Å; Q458-L471 VanDerWaalsContact CA-O 3.28Å; Q458-L471 WeakPolarHBondContact CA-O 3.48Å; Q458-E472 VanDerWaalsContact CD-OE1 3.24Å; Q458-E472 WeakPolarHBondContact CG-OE1 3.41Å; Q458-E472 VanDerWaalsContact CG-OE2 3.29Å; Q458-E472 WeakPolarHBondContact CG-OE2 3.37Å; Q458-E472 PolarHBondContact NE2-OE1 3.19Å; Q458-E520 WeakPolarHBondContact O-CA 3.16Å; Q458-E520 PolarHBondContact O-N 2.89Å
459I92.9Very high83.4Confident0 Ų066.5 Ų66.50%035%0.349CS..EExtended strand (participates in β ladder)trans-121.7161.4164.664.4169.6000109.7M457 L471 V473 V482 L512 I517 L523M457-I459 HydrophobicContact CE-CG2 3.94Å; I459-L471 HydrophobicContact CG1-CB 4Å; I459-L471 PolarHBondContact N-O 3.11Å; I459-L471 PolarHBondContact O-N 2.91Å; I459-V473 HydrophobicContact CB-CG2 4.27Å; I459-V473 HydrophobicContact CD1-CG1 3.87Å; I459-V473 HydrophobicContact CD1-CG2 3.93Å; I459-V473 HydrophobicContact CG1-CG1 3.95Å; I459-V473 HydrophobicContact CG1-CG2 3.74Å; I459-V473 HydrophobicContact CG2-CG2 3.69Å; I459-V482 HydrophobicContact CD1-CG1 4.38Å; I459-L512 HydrophobicContact CD1-CD1 4.2Å; I459-L512 HydrophobicContact CD1-CD2 4.4Å; I459-I517 HydrophobicContact CG2-CG2 3.97Å; I459-L523 HydrophobicContact CD1-CD1 4.02Å; I459-L523 HydrophobicContact CD1-CD2 4.23Å
460F94.6Very high83.2Confident54 Ų5468.9 Ų68.924%0.23736%0.364CS..EExtended strand (participates in β ladder)trans-111.2139178.1-57.7-69.4000110.4T468 I469 T470 E520 S521 T522 L523F460-T468 HydrophobicContact CB-CG2 3.81Å; F460-T468 HydrophobicContact CD1-CG2 3.94Å; F460-T468 HydrophobicContact CG-CG2 4.18Å; F460-I469 CarbonylContact C-O 3.52Å; F460-I469 WeakPolarHBondContact CA-O 3.48Å; F460-T470 HydrophobicContact CD1-CG2 4.17Å; F460-T470 HydrophobicContact CE1-CG2 3.87Å; F460-E520 WeakPolarHBondContact CD2-O 3.2Å; F460-E520 HydrophobicContact CE2-CB 3.94Å; F460-E520 HydrophobicContact CE2-CG 4Å; F460-S521 PolarHBondContact N-O 2.65Å; F460-T522 HydrophobicContact CB-CG2 4.3Å; F460-T522 CarbonylContact O-C 3.59Å; F460-T522 VanDerWaalsContact O-CA 3.27Å; F460-T522 WeakPolarHBondContact O-CA 3.28Å; F460-L523 PolarHBondContact O-N 2.89Å
461V94.1Very high83.2Confident0 Ų067.1 Ų67.10%035%0.353CS..EExtended strand (participates in β ladder)trans-119.4111174-178.40000108.1I469 L471 I486 L499 L523 L525V461-I469 HydrophobicContact CB-CB 4.28Å; V461-I469 HydrophobicContact CG1-CD1 4.5Å; V461-I469 PolarHBondContact N-O 3.48Å; V461-I469 PolarHBondContact O-N 3.02Å; V461-L471 HydrophobicContact CG2-CD1 3.53Å; V461-L471 HydrophobicContact CG2-CG 4.1Å; V461-I486 HydrophobicContact CG1-CD1 4.09Å; V461-I486 HydrophobicContact CG2-CD1 4.16Å; V461-L499 HydrophobicContact CG1-CD2 4.04Å; V461-L523 CarbonylContact C-O 3.55Å; V461-L523 WeakPolarHBondContact CA-O 3.4Å; V461-L523 HydrophobicContact CG2-CB 4.32Å; V461-L525 HydrophobicContact CG1-CB 3.51Å; V461-L525 HydrophobicContact CG1-CD2 4.32Å; V461-L525 HydrophobicContact CG1-CG 4.49Å
462K92.5Very high83.3Confident88 Ų8864.9 Ų64.938%0.38334%0.34SS..EExtended strand (participates in β ladder)trans-92.4125.2178.4-76.3-172.6-179178.80111K467 T468 T522 L523 H524 L525K462-K467 WeakPolarHBondContact CA-O 3.05Å; K462-T468 HydrophobicContact CG-CG2 4.14Å; K462-T522 HydrophobicContact CB-CG2 4.21Å; K462-T522 HydrophobicContact CD-CG2 3.75Å; K462-T522 HydrophobicContact CG-CG2 3.69Å; K462-L523 PolarHBondContact N-O 2.89Å; K462-H524 WeakPolarHBondContact O-CA 3.26Å; K462-L525 PolarHBondContact O-N 3.26Å
463T86.8Confident83.8Confident26 Ų2661.2 Ų61.216%0.1633%0.327CS..EExtended strand (participates in β ladder)trans-78.8164.1170.8700000110.8T465 G466 K467 I469 L525T463-T465 PolarHBondContact O-N 2.74Å; T463-T465 PolarHBondContact OG1-N 2.8Å; T463-T465 PolarHBondContact OG1-OG1 2.72Å; T463-G466 PolarHBondContact O-N 3.34Å; T463-K467 HydrophobicContact CG2-CB 4.29Å; T463-K467 PolarHBondContact N-O 3.33Å; T463-K467 WeakPolarHBondContact OG1-CB 3.13Å; T463-K467 PolarHBondContact OG1-N 3.18Å; T463-K467 PolarHBondContact OG1-O 3.01Å; T463-I469 HydrophobicContact CG2-CD1 3.92Å; T463-L525 HydrophobicContact CG2-CD2 4.48Å
464L79Confident84.8Confident144 Ų14455.2 Ų55.275%0.75429%0.294SS*.THydrogen-bonded Turntrans-62.2-22.3172.4-68.2176.1000113.6G466 V526L464-G466 PolarHBondContact O-N 2.63Å; L464-V526 HydrophobicContact CD1-CG1 4.2Å; L464-V526 HydrophobicContact CD1-CG2 4.42Å; L464-V526 HydrophobicContact CD2-CG2 4.27Å; L464-V526 HydrophobicContact CG-CG2 4.39Å
465T80.8Confident86Confident128 Ų12847.4 Ų47.479%0.78527%0.273SS*.THydrogen-bonded Turntrans-80-3.7175.659.50000113T463T463-T465 PolarHBondContact O-N 2.74Å; T463-T465 PolarHBondContact OG1-N 2.8Å; T463-T465 PolarHBondContact OG1-OG1 2.72Å
466G80.5Confident87.2Confident55 Ų5549.1 Ų49.157%0.56728%0.279SS*.SBendtrans87.7-1.8-17800000114.6T463 L464 T468T463-G466 PolarHBondContact O-N 3.34Å; L464-G466 PolarHBondContact O-N 2.63Å; G466-T468 PolarHBondContact O-N 3.19Å
467K88.8Confident88.1Confident102 Ų10249.4 Ų49.444%0.44328%0.28SS..  trans-64.8134.2172.5-175.3-179.6174.4-173.70109.1K462 T463 E490K462-K467 WeakPolarHBondContact CA-O 3.05Å; T463-K467 HydrophobicContact CG2-CB 4.29Å; T463-K467 PolarHBondContact N-O 3.33Å; T463-K467 WeakPolarHBondContact OG1-CB 3.13Å; T463-K467 PolarHBondContact OG1-N 3.18Å; T463-K467 PolarHBondContact OG1-O 3.01Å; K467-E490 WeakPolarHBondContact CE-OE1 3.46Å; K467-E490 IonicContact NZ-OE1 3.68Å; K467-E490 PolarHBondContact NZ-OE1 2.63Å; K467-E490 IonicContact NZ-OE2 2.65Å; K467-E490 PolarHBondContact NZ-OE2 3.16Å
468T90.5Very high88.4Confident64 Ų6449.9 Ų49.939%0.39328%0.284SS..EExtended strand (participates in β ladder)trans-108.5120.1175.3-550000109.1F460 K462 G466F460-T468 HydrophobicContact CB-CG2 3.81Å; F460-T468 HydrophobicContact CD1-CG2 3.94Å; F460-T468 HydrophobicContact CG-CG2 4.18Å; K462-T468 HydrophobicContact CG-CG2 4.14Å; G466-T468 PolarHBondContact O-N 3.19Å
469I88.4Confident88.7Confident6 Ų647 Ų473%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-98.3130.6176-56.6148.9000107F460 V461 T463 L471 K489 E490 L525F460-I469 CarbonylContact C-O 3.52Å; F460-I469 WeakPolarHBondContact CA-O 3.48Å; V461-I469 HydrophobicContact CB-CB 4.28Å; V461-I469 HydrophobicContact CG1-CD1 4.5Å; V461-I469 PolarHBondContact N-O 3.48Å; V461-I469 PolarHBondContact O-N 3.02Å; T463-I469 HydrophobicContact CG2-CD1 3.92Å; I469-L471 HydrophobicContact CG2-CD2 3.9Å; I469-L471 HydrophobicContact CG2-CG 4.41Å; I469-K489 HydrophobicContact CG2-CD 4.35Å; I469-E490 HydrophobicContact CD1-CG 3.61Å; I469-E490 HydrophobicContact CG1-CG 3.9Å; I469-E490 HydrophobicContact CG2-CG 4.33Å; I469-L525 HydrophobicContact CD1-CD2 4.47Å
470T90.4Very high88.6Confident53 Ų5352.6 Ų52.633%0.32530%0.297SS..EExtended strand (participates in β ladder)trans-96.7128.9175.2-53.10000108.6Q458 F460 K489Q458-T470 HydrophobicContact CB-CG2 4.28Å; Q458-T470 HydrophobicContact CG-CG2 4.27Å; F460-T470 HydrophobicContact CD1-CG2 4.17Å; F460-T470 HydrophobicContact CE1-CG2 3.87Å; T470-K489 PolarHBondContact O-NZ 2.97Å
471L88.5Confident88.4Confident1 Ų153.3 Ų53.31%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-118.6140.3177.1-58.9-179.4000110.2Q458 I459 V461 I469 V473 V482 K485 I486 K489Q458-L471 CarbonylContact C-O 3.45Å; Q458-L471 VanDerWaalsContact CA-O 3.28Å; Q458-L471 WeakPolarHBondContact CA-O 3.48Å; I459-L471 HydrophobicContact CG1-CB 4Å; I459-L471 PolarHBondContact N-O 3.11Å; I459-L471 PolarHBondContact O-N 2.91Å; V461-L471 HydrophobicContact CG2-CD1 3.53Å; V461-L471 HydrophobicContact CG2-CG 4.1Å; I469-L471 HydrophobicContact CG2-CD2 3.9Å; I469-L471 HydrophobicContact CG2-CG 4.41Å; L471-V473 HydrophobicContact CB-CG1 4.02Å; L471-V482 HydrophobicContact CD1-CG1 3.88Å; L471-K485 HydrophobicContact CD2-CB 4.35Å; L471-I486 HydrophobicContact CD1-CD1 4.1Å; L471-I486 HydrophobicContact CD1-CG1 3.56Å; L471-I486 HydrophobicContact CD2-CG1 4.35Å; L471-K489 HydrophobicContact CD2-CD 3.81Å
472E85.4Confident88.4Confident42 Ų4253.3 Ų53.320%0.19630%0.303CS..EExtended strand (participates in β ladder)trans-93.5121.7167.4-64.3-70.1172.200107.8G456 Q458 K485G456-E472 VanDerWaalsContact CA-OE2 3.27Å; G456-E472 WeakPolarHBondContact CA-OE2 3.21Å; Q458-E472 VanDerWaalsContact CD-OE1 3.24Å; Q458-E472 WeakPolarHBondContact CG-OE1 3.41Å; Q458-E472 VanDerWaalsContact CG-OE2 3.29Å; Q458-E472 WeakPolarHBondContact CG-OE2 3.37Å; Q458-E472 PolarHBondContact NE2-OE1 3.19Å; E472-K485 PolarHBondContact O-NZ 2.84Å
473V89.1Confident88.4Confident2 Ų249.4 Ų49.41%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-138.3164.9-173.1-61.80000110.3M457 I459 L471 D477 V482 K485 L512M457-V473 WeakPolarHBondContact CB-O 3.26Å; M457-V473 HydrophobicContact CE-CG2 4.13Å; M457-V473 HydrophobicContact CG-CG2 4.08Å; M457-V473 WeakPolarHBondContact O-CG2 3.29Å; M457-V473 PolarHBondContact O-N 3.2Å; M457-V473 VanDerWaalsContact O-O 3.05Å; M457-V473 HydrophobicContact SD-CG2 4.45Å; I459-V473 HydrophobicContact CB-CG2 4.27Å; I459-V473 HydrophobicContact CD1-CG1 3.87Å; I459-V473 HydrophobicContact CD1-CG2 3.93Å; I459-V473 HydrophobicContact CG1-CG1 3.95Å; I459-V473 HydrophobicContact CG1-CG2 3.74Å; I459-V473 HydrophobicContact CG2-CG2 3.69Å; L471-V473 HydrophobicContact CB-CG1 4.02Å; V473-D477 VanDerWaalsContact CA-OD2 3.27Å; V473-D477 WeakPolarHBondContact CA-OD2 3.19Å; V473-V482 HydrophobicContact CG1-CG2 4.3Å; V473-K485 HydrophobicContact CG1-CD 4.07Å; V473-L512 HydrophobicContact CB-CD1 3.56Å; V473-L512 HydrophobicContact CG1-CD1 4.08Å; V473-L512 HydrophobicContact CG2-CD1 3.41Å; V473-L512 VanDerWaalsContact CG2-CD1 3.41Å
474E86.2Confident88.4Confident35 Ų3550 Ų5016%0.16429%0.293CS..  trans-112.6153.7168.8-65.8-176.6160.500110.3P418 S476 D477P418-E474 WeakPolarHBondContact CD-OE1 3.41Å; E474-S476 PolarHBondContact O-N 3.23Å; E474-S476 VanDerWaalsContact O-N 3.12Å; E474-D477 PolarHBondContact N-OD2 3.11Å; E474-D477 WeakPolarHBondContact O-CB 3.32Å; E474-D477 PolarHBondContact O-N 2.87Å
475P89.3Confident88.9Confident68 Ų6845.3 Ų45.344%0.44227%0.267SS..THydrogen-bonded Turntrans-55.6-29.8175.2-24.833.2000113.6M457 S513M457-P475 HydrophobicContact SD-CG 3.77Å; P475-S513 VanDerWaalsContact O-CB 3.26Å; P475-S513 WeakPolarHBondContact O-CB 3.33Å; P475-S513 PolarHBondContact O-N 2.93Å; P475-S513 PolarHBondContact O-OG 3.23Å; P475-S513 VanDerWaalsContact O-OG 3.13Å
476S88.1Confident89.3Confident74 Ų7439.2 Ų39.252%0.51723%0.229SC..THydrogen-bonded Turntrans-78.2-12.9176.740.70000114.3E474 T478 T511E474-S476 PolarHBondContact O-N 3.23Å; E474-S476 VanDerWaalsContact O-N 3.12Å; S476-T478 PolarHBondContact O-N 3.47Å; S476-T511 WeakPolarHBondContact O-CG2 3.48Å
477D90.3Very high89.5Confident10 Ų1039 Ų395%0.05321%0.214CC..  trans-59.8130.3178.5-87-35.7000110.1V473 E474 N481 V482 K485 T511 L512V473-D477 VanDerWaalsContact CA-OD2 3.27Å; V473-D477 WeakPolarHBondContact CA-OD2 3.19Å; E474-D477 PolarHBondContact N-OD2 3.11Å; E474-D477 WeakPolarHBondContact O-CB 3.32Å; E474-D477 PolarHBondContact O-N 2.87Å; D477-N481 HydrophobicContact CB-CB 4.21Å; D477-N481 PolarHBondContact OD1-ND2 2.73Å; D477-N481 VanDerWaalsContact OD1-ND2 3.14Å; D477-V482 HydrophobicContact CB-CG2 4.39Å; D477-K485 VanDerWaalsContact OD2-CE 3.26Å; D477-K485 WeakPolarHBondContact OD2-CE 3.42Å; D477-K485 IonicContact OD2-NZ 2.97Å; D477-T511 CarbonylContact O-C 3.51Å; D477-T511 VanDerWaalsContact O-CA 3.22Å; D477-T511 WeakPolarHBondContact O-CA 3.46Å; D477-L512 HydrophobicContact CB-CD1 4.27Å; D477-L512 PolarHBondContact O-N 2.97Å
478T92.8Very high89.1Confident35 Ų3540.6 Ų40.622%0.21523%0.227CC..BIsolated β-bridgetrans-71.9159.1170.864.30000110.5S476 E480 N481 V482 R510 T511S476-T478 PolarHBondContact O-N 3.47Å; T478-E480 PolarHBondContact O-N 2.8Å; T478-N481 WeakPolarHBondContact O-CB 3.2Å; T478-N481 PolarHBondContact O-N 3.47Å; T478-N481 PolarHBondContact OG1-N 3.35Å; T478-N481 VanDerWaalsContact OG1-N 3.14Å; T478-N481 PolarHBondContact OG1-OD1 2.86Å; T478-N481 VanDerWaalsContact OG1-OD1 3.06Å; T478-V482 WeakPolarHBondContact O-CG2 3.49Å; T478-V482 PolarHBondContact O-N 3.2Å; T478-R510 CarbonylContact C-O 3.58Å; T478-R510 VanDerWaalsContact CA-O 3.27Å; T478-R510 WeakPolarHBondContact CA-O 3.48Å; T478-T511 HydrophobicContact CG2-CG2 4.45Å
479I93.6Very high88.8Confident0 Ų043 Ų430%023%0.232CC..Hα-helixtrans-63.2-30.5174.7-60.9-57.6000111.1V482 K483 L499 L506 E507 D508 R510 L512 Y515I479-V482 PolarHBondContact O-N 2.8Å; I479-K483 WeakPolarHBondContact O-CG 3.39Å; I479-K483 PolarHBondContact O-N 3.08Å; I479-L499 HydrophobicContact CG2-CD1 4.23Å; I479-L506 HydrophobicContact CB-CB 4.5Å; I479-L506 HydrophobicContact CD1-CB 3.9Å; I479-L506 HydrophobicContact CD1-CD1 3.61Å; I479-L506 HydrophobicContact CD1-CG 4.26Å; I479-L506 HydrophobicContact CG1-CB 3.88Å; I479-L506 HydrophobicContact CG2-CB 3.85Å; I479-E507 VanDerWaalsContact CB-O 3.31Å; I479-E507 WeakPolarHBondContact CB-O 3.43Å; I479-E507 VanDerWaalsContact CG1-O 3.29Å; I479-E507 WeakPolarHBondContact CG1-O 3.31Å; I479-D508 PolarHBondContact N-O 3.22Å; I479-R510 WeakPolarHBondContact CG1-O 3.28Å; I479-R510 PolarHBondContact N-O 3.37Å; I479-L512 HydrophobicContact CD1-CD2 3.86Å; I479-Y515 HydrophobicContact CD1-CD2 4.32Å; I479-Y515 HydrophobicContact CD1-CE2 4.36Å; I479-Y515 HydrophobicContact CG1-CD2 4.43Å; I479-Y515 HydrophobicContact CG1-CE2 4.01Å
480E91.2Very high88.6Confident118 Ų11845.9 Ų45.955%0.55125%0.245SC*.Hα-helixtrans-59.4-46.7168.8-168.6172.4-171.400112.1T478 V482 K483 A484 D508T478-E480 PolarHBondContact O-N 2.8Å; E480-V482 VanDerWaalsContact C-N 3.31Å; E480-V482 PolarHBondContact O-N 3.03Å; E480-K483 WeakPolarHBondContact O-CB 3.44Å; E480-K483 PolarHBondContact O-N 3.06Å; E480-K483 VanDerWaalsContact O-N 3.15Å; E480-A484 PolarHBondContact O-N 2.89Å; E480-D508 HydrophobicContact CB-CB 4.25Å; E480-D508 PolarHBondContact N-O 2.94Å; E480-D508 VanDerWaalsContact N-O 3.14Å
481N90.7Very high88Confident69 Ų6946 Ų4637%0.36926%0.258SS..Hα-helixtrans-59-42.9174.3-64.2-3.1000111.5D477 T478 K483 A484 K485D477-N481 HydrophobicContact CB-CB 4.21Å; D477-N481 PolarHBondContact OD1-ND2 2.73Å; D477-N481 VanDerWaalsContact OD1-ND2 3.14Å; T478-N481 WeakPolarHBondContact O-CB 3.2Å; T478-N481 PolarHBondContact O-N 3.47Å; T478-N481 PolarHBondContact OG1-N 3.35Å; T478-N481 VanDerWaalsContact OG1-N 3.14Å; T478-N481 PolarHBondContact OG1-OD1 2.86Å; T478-N481 VanDerWaalsContact OG1-OD1 3.06Å; N481-K483 VanDerWaalsContact C-N 3.31Å; N481-K483 PolarHBondContact O-N 3.34Å; N481-A484 PolarHBondContact O-N 2.99Å; N481-K485 WeakPolarHBondContact O-CG 3.45Å; N481-K485 PolarHBondContact O-N 2.91Å
482V92.7Very high87.7Confident0 Ų047.3 Ų47.30%026%0.264CS..Hα-helixtrans-62.4-40.7178177.90000110.8I459 L471 V473 D477 T478 I479 E480 K485 I486 L499 L512I459-V482 HydrophobicContact CD1-CG1 4.38Å; L471-V482 HydrophobicContact CD1-CG1 3.88Å; V473-V482 HydrophobicContact CG1-CG2 4.3Å; D477-V482 HydrophobicContact CB-CG2 4.39Å; T478-V482 WeakPolarHBondContact O-CG2 3.49Å; T478-V482 PolarHBondContact O-N 3.2Å; I479-V482 PolarHBondContact O-N 2.8Å; E480-V482 VanDerWaalsContact C-N 3.31Å; E480-V482 PolarHBondContact O-N 3.03Å; V482-K485 PolarHBondContact O-N 2.89Å; V482-I486 HydrophobicContact CG1-CD1 4.24Å; V482-I486 WeakPolarHBondContact O-CG1 3.46Å; V482-I486 PolarHBondContact O-N 3.23Å; V482-L499 HydrophobicContact CB-CD1 4.37Å; V482-L499 HydrophobicContact CG1-CD1 3.78Å; V482-L512 HydrophobicContact CG2-CD1 3.96Å; V482-L512 HydrophobicContact CG2-CD2 3.93Å; V482-L512 HydrophobicContact CG2-CG 3.99Å
483K93.1Very high87.3Confident6 Ų645.8 Ų45.83%0.02626%0.258CS..Hα-helixtrans-65.2-43.1175.9-73174.1168.2-170.40112.3I479 E480 N481 K485 I486 Q487 P494 Q497 L499 D508I479-K483 WeakPolarHBondContact O-CG 3.39Å; I479-K483 PolarHBondContact O-N 3.08Å; E480-K483 WeakPolarHBondContact O-CB 3.44Å; E480-K483 PolarHBondContact O-N 3.06Å; E480-K483 VanDerWaalsContact O-N 3.15Å; N481-K483 VanDerWaalsContact C-N 3.31Å; N481-K483 PolarHBondContact O-N 3.34Å; K483-K485 VanDerWaalsContact C-N 3.31Å; K483-K485 PolarHBondContact O-N 2.93Å; K483-I486 WeakPolarHBondContact O-CB 3.48Å; K483-I486 PolarHBondContact O-N 3.43Å; K483-I486 VanDerWaalsContact O-N 3.11Å; K483-Q487 PolarHBondContact O-N 3.44Å; K483-P494 HydrophobicContact CB-CB 3.87Å; K483-P494 HydrophobicContact CB-CG 4.32Å; K483-P494 HydrophobicContact CD-CB 4.12Å; K483-P494 PolarHBondContact NZ-O 2.8Å; K483-Q497 HydrophobicContact CD-CB 4.34Å; K483-Q497 VanDerWaalsContact CE-O 3.32Å; K483-Q497 WeakPolarHBondContact CE-O 3.42Å; K483-Q497 HydrophobicContact CG-CB 4.06Å; K483-Q497 PolarHBondContact NZ-O 2.81Å; K483-Q497 PolarHBondContact O-NE2 3.3Å; K483-Q497 PolarHBondContact O-OE1 3.36Å; K483-L499 HydrophobicContact CG-CD1 3.98Å; K483-D508 WeakPolarHBondContact CE-OD1 3.2Å; K483-D508 IonicContact NZ-OD1 2.61Å; K483-D508 PolarHBondContact NZ-OD1 3.47Å; K483-D508 IonicContact NZ-OD2 2.67Å; K483-D508 PolarHBondContact NZ-OD2 2.9Å
484A87.4Confident87Confident37 Ų3746.9 Ų46.931%0.30627%0.265SS..Hα-helixtrans-57.5-45.3173.600000111E480 N481 I486 Q487 D488E480-A484 PolarHBondContact O-N 2.89Å; N481-A484 PolarHBondContact O-N 2.99Å; A484-I486 VanDerWaalsContact C-N 3.27Å; A484-I486 PolarHBondContact O-N 2.81Å; A484-Q487 CarbonylContact O-C 3.47Å; A484-Q487 WeakPolarHBondContact O-CA 3.44Å; A484-Q487 WeakPolarHBondContact O-CB 3.48Å; A484-Q487 PolarHBondContact O-N 2.65Å; A484-D488 VanDerWaalsContact O-CG 3.31Å; A484-D488 PolarHBondContact O-N 3.37Å
485K89.2Confident86.6Confident46 Ų4647.9 Ų47.920%0.227%0.272CS..Hα-helixtrans-60-33.7175.3-69.5168.2-173.3-91.20113.3L471 E472 V473 D477 N481 V482 K483 K489L471-K485 HydrophobicContact CD2-CB 4.35Å; E472-K485 PolarHBondContact O-NZ 2.84Å; V473-K485 HydrophobicContact CG1-CD 4.07Å; D477-K485 VanDerWaalsContact OD2-CE 3.26Å; D477-K485 WeakPolarHBondContact OD2-CE 3.42Å; D477-K485 IonicContact OD2-NZ 2.97Å; N481-K485 WeakPolarHBondContact O-CG 3.45Å; N481-K485 PolarHBondContact O-N 2.91Å; V482-K485 PolarHBondContact O-N 2.89Å; K483-K485 VanDerWaalsContact C-N 3.31Å; K483-K485 PolarHBondContact O-N 2.93Å; K485-K489 WeakPolarHBondContact O-CG 3.37Å; K485-K489 PolarHBondContact O-N 3.02Å
486I89.3Confident86.2Confident0 Ų046.6 Ų46.60%026%0.26CS..Hα-helixtrans-71.9-40.9174-66.5163.2000110.6V461 L471 V482 K483 A484 D488 K489 E490 I492 Q497 L499 L525V461-I486 HydrophobicContact CG1-CD1 4.09Å; V461-I486 HydrophobicContact CG2-CD1 4.16Å; L471-I486 HydrophobicContact CD1-CD1 4.1Å; L471-I486 HydrophobicContact CD1-CG1 3.56Å; L471-I486 HydrophobicContact CD2-CG1 4.35Å; V482-I486 HydrophobicContact CG1-CD1 4.24Å; V482-I486 WeakPolarHBondContact O-CG1 3.46Å; V482-I486 PolarHBondContact O-N 3.23Å; K483-I486 WeakPolarHBondContact O-CB 3.48Å; K483-I486 PolarHBondContact O-N 3.43Å; K483-I486 VanDerWaalsContact O-N 3.11Å; A484-I486 VanDerWaalsContact C-N 3.27Å; A484-I486 PolarHBondContact O-N 2.81Å; I486-D488 VanDerWaalsContact C-N 3.32Å; I486-D488 PolarHBondContact O-N 3.17Å; I486-K489 PolarHBondContact O-N 3.47Å; I486-E490 WeakPolarHBondContact O-CB 3.33Å; I486-E490 PolarHBondContact O-N 3.39Å; I486-I492 HydrophobicContact CG2-CD1 4.32Å; I486-Q497 VanDerWaalsContact CB-OE1 3.29Å; I486-Q497 HydrophobicContact CG2-CG 4.46Å; I486-L499 HydrophobicContact CD1-CD1 3.95Å; I486-L499 HydrophobicContact CD1-CD2 3.7Å; I486-L499 HydrophobicContact CD1-CG 4.33Å; I486-L525 HydrophobicContact CG2-CD2 3.94Å
487Q85.6Confident86.3Confident52 Ų5243.1 Ų43.124%0.24324%0.235CC..Hα-helixtrans-59.3-45.4174.6-175.7-178.917.100110.6K483 A484 K489 G491 I492K483-Q487 PolarHBondContact O-N 3.44Å; A484-Q487 CarbonylContact O-C 3.47Å; A484-Q487 WeakPolarHBondContact O-CA 3.44Å; A484-Q487 WeakPolarHBondContact O-CB 3.48Å; A484-Q487 PolarHBondContact O-N 2.65Å; Q487-K489 VanDerWaalsContact C-N 3.29Å; Q487-K489 PolarHBondContact O-N 2.78Å; Q487-G491 WeakPolarHBondContact O-CA 3.45Å; Q487-G491 PolarHBondContact O-N 3.26Å; Q487-I492 VanDerWaalsContact CA-O 3.24Å; Q487-I492 WeakPolarHBondContact CA-O 3.15Å; Q487-I492 WeakPolarHBondContact CB-O 3.43Å; Q487-I492 WeakPolarHBondContact CG-O 3.41Å
488D80.4Confident86.2Confident134 Ų13447.3 Ų47.372%0.71725%0.25SS*.Hα-helixtrans-62.7-36.1179.5-65.6-24000112.4A484 I486A484-D488 VanDerWaalsContact O-CG 3.31Å; A484-D488 PolarHBondContact O-N 3.37Å; I486-D488 VanDerWaalsContact C-N 3.32Å; I486-D488 PolarHBondContact O-N 3.17Å
489K84.3Confident86.2Confident116 Ų11645.7 Ų45.750%0.50424%0.24SC..Hα-helixtrans-85.5-35.4-178.7-73.7-161.2-176-167.30114.7I469 T470 L471 K485 I486 Q487I469-K489 HydrophobicContact CG2-CD 4.35Å; T470-K489 PolarHBondContact O-NZ 2.97Å; L471-K489 HydrophobicContact CD2-CD 3.81Å; K485-K489 WeakPolarHBondContact O-CG 3.37Å; K485-K489 PolarHBondContact O-N 3.02Å; I486-K489 PolarHBondContact O-N 3.47Å; Q487-K489 VanDerWaalsContact C-N 3.29Å; Q487-K489 PolarHBondContact O-N 2.78Å
490E83.6Confident86.2Confident65 Ų6547.3 Ų47.330%0.30425%0.249SC..Hα-helixtrans-122.6-3.5-168.5-63.5-72143.500113.2K467 I469 I486 I492K467-E490 WeakPolarHBondContact CE-OE1 3.46Å; K467-E490 IonicContact NZ-OE1 3.68Å; K467-E490 PolarHBondContact NZ-OE1 2.63Å; K467-E490 IonicContact NZ-OE2 2.65Å; K467-E490 PolarHBondContact NZ-OE2 3.16Å; I469-E490 HydrophobicContact CD1-CG 3.61Å; I469-E490 HydrophobicContact CG1-CG 3.9Å; I469-E490 HydrophobicContact CG2-CG 4.33Å; I486-E490 WeakPolarHBondContact O-CB 3.33Å; I486-E490 PolarHBondContact O-N 3.39Å; E490-I492 HydrophobicContact CB-CD1 3.73Å; E490-I492 HydrophobicContact CB-CG1 4.05Å; E490-I492 PolarHBondContact O-N 2.81Å
491G77.3Confident86.4Confident57 Ų5743.8 Ų43.859%0.58823%0.231SC*.  trans71.411.1-179.600000114.5Q487 P493Q487-G491 WeakPolarHBondContact O-CA 3.45Å; Q487-G491 PolarHBondContact O-N 3.26Å; G491-P493 WeakPolarHBondContact O-CD 3.06Å
492I81.4Confident86.4Confident27 Ų2744.8 Ų44.814%0.13825%0.249CC..  trans-86.9118.2-175.6-57.6160.2000109.4I486 Q487 E490 Q496 Q497 L525 L527I486-I492 HydrophobicContact CG2-CD1 4.32Å; Q487-I492 VanDerWaalsContact CA-O 3.24Å; Q487-I492 WeakPolarHBondContact CA-O 3.15Å; Q487-I492 WeakPolarHBondContact CB-O 3.43Å; Q487-I492 WeakPolarHBondContact CG-O 3.41Å; E490-I492 HydrophobicContact CB-CD1 3.73Å; E490-I492 HydrophobicContact CB-CG1 4.05Å; E490-I492 PolarHBondContact O-N 2.81Å; I492-Q496 HydrophobicContact CG2-CB 4.31Å; I492-Q497 HydrophobicContact CB-CG 4.3Å; I492-Q497 HydrophobicContact CG2-CG 3.58Å; I492-Q497 PolarHBondContact O-NE2 3.04Å; I492-L525 HydrophobicContact CD1-CD2 3.85Å; I492-L527 HydrophobicContact CD1-CD2 4.04Å; I492-L527 HydrophobicContact CG1-CD2 4.34Å; I492-L527 HydrophobicContact CG2-CD2 3.46Å; I492-L527 VanDerWaalsContact CG2-CD2 3.46Å
493P77.3Confident86.1Confident10 Ų1048.3 Ų48.37%0.06529%0.286CS..  trans-62.3141.7179.6-25.637000113.8G491 D495 Q496 Q497 E550G491-P493 WeakPolarHBondContact O-CD 3.06Å; P493-D495 VanDerWaalsContact C-N 3.26Å; P493-D495 VanDerWaalsContact CB-OD1 3.27Å; P493-D495 WeakPolarHBondContact CB-OD1 3.4Å; P493-D495 PolarHBondContact O-N 2.7Å; P493-Q496 WeakPolarHBondContact O-CB 3.37Å; P493-Q496 PolarHBondContact O-N 3.14Å; P493-Q497 WeakPolarHBondContact O-CG 3.33Å; P493-Q497 PolarHBondContact O-N 3.34Å; P493-E550 WeakPolarHBondContact CB-OE1 3.41Å
494P83.7Confident86Confident25 Ų2555 Ų5516%0.16232%0.315CS..THydrogen-bonded Turntrans-55.9-31.8-176.3-30.337.5000115.4K483 Q496 Q497K483-P494 HydrophobicContact CB-CB 3.87Å; K483-P494 HydrophobicContact CB-CG 4.32Å; K483-P494 HydrophobicContact CD-CB 4.12Å; K483-P494 PolarHBondContact NZ-O 2.8Å; P494-Q496 VanDerWaalsContact C-N 3.32Å; P494-Q497 PolarHBondContact O-N 2.97Å
495D77.2Confident86.2Confident57 Ų5757.2 Ų57.231%0.30532%0.319SS..THydrogen-bonded Turntrans-67.7-31.8177.771.8-25.9000112.5P493 Q497 R528P493-D495 VanDerWaalsContact C-N 3.26Å; P493-D495 VanDerWaalsContact CB-OD1 3.27Å; P493-D495 WeakPolarHBondContact CB-OD1 3.4Å; P493-D495 PolarHBondContact O-N 2.7Å; D495-Q497 VanDerWaalsContact C-N 3.35Å; D495-R528 PolarHBondContact O-NH1 3.47Å
496Q81.7Confident86.4Confident41 Ų4155.2 Ų55.219%0.19231%0.31CS..THydrogen-bonded Turntrans-79.6-18.6174.5-66.2179.215.800112.7I492 P493 P494 L527 R528I492-Q496 HydrophobicContact CG2-CB 4.31Å; P493-Q496 WeakPolarHBondContact O-CB 3.37Å; P493-Q496 PolarHBondContact O-N 3.14Å; P494-Q496 VanDerWaalsContact C-N 3.32Å; Q496-L527 WeakPolarHBondContact O-CA 3.43Å; Q496-R528 PolarHBondContact O-N 3.32Å
497Q88.8Confident86.5Confident0 Ų060.1 Ų60.10%033%0.333CS..EExtended strand (participates in β ladder)trans-82.3123.8-179.3-62.5179.841.300111.8K483 I486 I492 P493 P494 D495 L525 R528K483-Q497 HydrophobicContact CD-CB 4.34Å; K483-Q497 VanDerWaalsContact CE-O 3.32Å; K483-Q497 WeakPolarHBondContact CE-O 3.42Å; K483-Q497 HydrophobicContact CG-CB 4.06Å; K483-Q497 PolarHBondContact NZ-O 2.81Å; K483-Q497 PolarHBondContact O-NE2 3.3Å; K483-Q497 PolarHBondContact O-OE1 3.36Å; I486-Q497 VanDerWaalsContact CB-OE1 3.29Å; I486-Q497 HydrophobicContact CG2-CG 4.46Å; I492-Q497 HydrophobicContact CB-CG 4.3Å; I492-Q497 HydrophobicContact CG2-CG 3.58Å; I492-Q497 PolarHBondContact O-NE2 3.04Å; P493-Q497 WeakPolarHBondContact O-CG 3.33Å; P493-Q497 PolarHBondContact O-N 3.34Å; P494-Q497 PolarHBondContact O-N 2.97Å; D495-Q497 VanDerWaalsContact C-N 3.35Å; Q497-L525 HydrophobicContact CB-CD1 3.77Å; Q497-L525 HydrophobicContact CG-CD1 3.92Å; Q497-R528 PolarHBondContact O-NH1 2.85Å
498R88.6Confident86.7Confident98 Ų9860.7 Ų60.737%0.3734%0.338SS..EExtended strand (participates in β ladder)trans-115.7106.1165.8-173.6-172.7-170.6-166.30.5109.2I500 Q505 V526 R528R498-I500 HydrophobicContact CG-CG1 4.46Å; R498-Q505 HydrophobicContact CG-CG 4.16Å; R498-Q505 VanDerWaalsContact CZ-OE1 3.32Å; R498-V526 HydrophobicContact CB-CB 4.21Å; R498-V526 VanDerWaalsContact CB-O 3.24Å; R498-V526 WeakPolarHBondContact CB-O 3.38Å; R498-V526 PolarHBondContact N-O 3.47Å; R498-V526 PolarHBondContact O-N 3.44Å; R498-R528 HydrophobicContact CB-CG 4.49Å
499L93.8Very high87.1Confident1 Ų157.8 Ų57.81%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-90.4135.8176.6-64.5176.9000111V461 I479 V482 K483 I486 Q505 L506 L523 H524 L525V461-L499 HydrophobicContact CG1-CD2 4.04Å; I479-L499 HydrophobicContact CG2-CD1 4.23Å; V482-L499 HydrophobicContact CB-CD1 4.37Å; V482-L499 HydrophobicContact CG1-CD1 3.78Å; K483-L499 HydrophobicContact CG-CD1 3.98Å; I486-L499 HydrophobicContact CD1-CD1 3.95Å; I486-L499 HydrophobicContact CD1-CD2 3.7Å; I486-L499 HydrophobicContact CD1-CG 4.33Å; L499-Q505 WeakPolarHBondContact O-CA 3.28Å; L499-L506 HydrophobicContact CB-CB 4.26Å; L499-L506 HydrophobicContact CB-CD1 4.02Å; L499-L506 HydrophobicContact CB-CG 4.36Å; L499-L506 PolarHBondContact O-N 3.32Å; L499-L523 HydrophobicContact CD1-CD2 4.38Å; L499-H524 CarbonylContact C-O 3.47Å; L499-H524 WeakPolarHBondContact CA-O 3.5Å; L499-L525 HydrophobicContact CD2-CB 4.08Å; L499-L525 HydrophobicContact CD2-CD1 3.8Å
500I93.5Very high87.5Confident34 Ų3457.4 Ų57.417%0.17434%0.335CS..EExtended strand (participates in β ladder)trans-130.9131.8-178.8-57.3173.1000108.7R498 K504 H524 V526R498-I500 HydrophobicContact CG-CG1 4.46Å; I500-K504 CarbonylContact C-O 3.59Å; I500-K504 VanDerWaalsContact CA-O 3.26Å; I500-K504 WeakPolarHBondContact CA-O 3.27Å; I500-K504 WeakPolarHBondContact CG2-O 3.38Å; I500-H524 HydrophobicContact CB-CB 4.32Å; I500-H524 PolarHBondContact N-O 2.88Å; I500-H524 PolarHBondContact O-N 2.88Å; I500-V526 HydrophobicContact CD1-CG2 3.93Å
501F95.6Very high87.9Confident44 Ų4455.6 Ų55.619%0.19333%0.328CS..EExtended strand (participates in β ladder)trans-134135.4173.3-178.3-112.6000109.5G503 K504 L506 I517 T522 L523F501-G503 PolarHBondContact O-N 2.78Å; F501-G503 VanDerWaalsContact O-N 3.08Å; F501-K504 PolarHBondContact N-O 3.13Å; F501-K504 PolarHBondContact O-N 3.11Å; F501-L506 HydrophobicContact CB-CD1 4.11Å; F501-L506 HydrophobicContact CB-CD2 3.94Å; F501-L506 HydrophobicContact CB-CG 4.29Å; F501-I517 HydrophobicContact CB-CD1 4.28Å; F501-I517 HydrophobicContact CD1-CD1 4.07Å; F501-I517 HydrophobicContact CD1-CG1 3.53Å; F501-I517 HydrophobicContact CD2-CG1 4.3Å; F501-I517 HydrophobicContact CE1-CG1 3.61Å; F501-I517 HydrophobicContact CE2-CG1 4.38Å; F501-I517 HydrophobicContact CG-CD1 4.1Å; F501-I517 HydrophobicContact CG-CG1 3.9Å; F501-I517 HydrophobicContact CZ-CG1 4.05Å; F501-T522 WeakPolarHBondContact CD2-O 3.32Å; F501-L523 HydrophobicContact CB-CG 4.33Å; F501-L523 HydrophobicContact CD2-CD1 4.15Å; F501-L523 HydrophobicContact CD2-CG 4.42Å
502A89.7Confident88.7Confident90 Ų9052.9 Ų52.974%0.74430%0.3SS*.THydrogen-bonded Turntrans47.838.6-177.600000113.9K504A502-K504 PolarHBondContact O-N 3.07Å
503G87Confident89.2Confident74 Ų7454.1 Ų54.176%0.76331%0.311SS*.THydrogen-bonded Turntrans77-3.4-179.200000115.7F501F501-G503 PolarHBondContact O-N 2.78Å; F501-G503 VanDerWaalsContact O-N 3.08Å
504K90.8Very high90Very high147 Ų14758 Ų5864%0.63933%0.332SS*.EExtended strand (participates in β ladder)trans-101.4137.9177.7-66.9-175.7179.5179.10111.2I500 F501 A502I500-K504 CarbonylContact C-O 3.59Å; I500-K504 VanDerWaalsContact CA-O 3.26Å; I500-K504 WeakPolarHBondContact CA-O 3.27Å; I500-K504 WeakPolarHBondContact CG2-O 3.38Å; F501-K504 PolarHBondContact N-O 3.13Å; F501-K504 PolarHBondContact O-N 3.11Å; A502-K504 PolarHBondContact O-N 3.07Å
505Q90.9Very high90.4Very high84 Ų8458.6 Ų58.639%0.39333%0.331SS..EExtended strand (participates in β ladder)trans-71.5134.4169.8179.1177.5-33.700109.3R498 L499R498-Q505 HydrophobicContact CG-CG 4.16Å; R498-Q505 VanDerWaalsContact CZ-OE1 3.32Å; L499-Q505 WeakPolarHBondContact O-CA 3.28Å
506L94.7Very high91.2Very high4 Ų461.6 Ų61.62%0.02135%0.347CS..PPolyproline II helixtrans-83.6137.6178.4-56.7-175.4000110.4I479 L499 F501 Y515 I517 L523I479-L506 HydrophobicContact CB-CB 4.5Å; I479-L506 HydrophobicContact CD1-CB 3.9Å; I479-L506 HydrophobicContact CD1-CD1 3.61Å; I479-L506 HydrophobicContact CD1-CG 4.26Å; I479-L506 HydrophobicContact CG1-CB 3.88Å; I479-L506 HydrophobicContact CG2-CB 3.85Å; L499-L506 HydrophobicContact CB-CB 4.26Å; L499-L506 HydrophobicContact CB-CD1 4.02Å; L499-L506 HydrophobicContact CB-CG 4.36Å; L499-L506 PolarHBondContact O-N 3.32Å; F501-L506 HydrophobicContact CB-CD1 4.11Å; F501-L506 HydrophobicContact CB-CD2 3.94Å; F501-L506 HydrophobicContact CB-CG 4.29Å; L506-Y515 HydrophobicContact CB-CE2 4.33Å; L506-Y515 HydrophobicContact CD2-CD1 3.61Å; L506-Y515 HydrophobicContact CD2-CD2 3.67Å; L506-Y515 HydrophobicContact CD2-CE1 3.72Å; L506-Y515 HydrophobicContact CD2-CE2 3.77Å; L506-Y515 HydrophobicContact CD2-CG 3.59Å; L506-I517 HydrophobicContact CD1-CD1 3.92Å; L506-I517 HydrophobicContact CD2-CD1 4.48Å; L506-L523 HydrophobicContact CD1-CD2 3.54Å; L506-L523 HydrophobicContact CD1-CG 4.1Å
507E91.6Very high91.7Very high102 Ų10259.7 Ų59.748%0.47734%0.338SS..PPolyproline II helixtrans-97.5134.6179.8-63.6170.4-178.100110.6I479 G509 R510 Y515I479-E507 VanDerWaalsContact CB-O 3.31Å; I479-E507 WeakPolarHBondContact CB-O 3.43Å; I479-E507 VanDerWaalsContact CG1-O 3.29Å; I479-E507 WeakPolarHBondContact CG1-O 3.31Å; E507-G509 VanDerWaalsContact C-N 3.31Å; E507-G509 PolarHBondContact O-N 2.82Å; E507-R510 HydrophobicContact CB-CG 4.37Å; E507-R510 PolarHBondContact O-N 2.77Å; E507-R510 VanDerWaalsContact O-N 3.14Å; E507-R510 IonicContact OE1-NH2 2.93Å; E507-R510 IonicContact OE2-CZ 2.96Å; E507-R510 IonicContact OE2-NE 2.67Å; E507-R510 PolarHBondContact OE2-NE 3.1Å; E507-R510 IonicContact OE2-NH2 3.65Å; E507-R510 PolarHBondContact OE2-NH2 2.81Å; E507-R510 VanDerWaalsContact OE2-NH2 3.11Å; E507-Y515 WeakPolarHBondContact CB-OH 3.49Å; E507-Y515 PolarHBondContact N-OH 2.7Å
508D88.5Confident91.9Very high65 Ų6565.3 Ų65.335%0.34836%0.364SS..THydrogen-bonded Turntrans-57.1-39.2-169.9-68-6.2000113.7I479 E480 K483 R510I479-D508 PolarHBondContact N-O 3.22Å; E480-D508 HydrophobicContact CB-CB 4.25Å; E480-D508 PolarHBondContact N-O 2.94Å; E480-D508 VanDerWaalsContact N-O 3.14Å; K483-D508 WeakPolarHBondContact CE-OD1 3.2Å; K483-D508 IonicContact NZ-OD1 2.61Å; K483-D508 PolarHBondContact NZ-OD1 3.47Å; K483-D508 IonicContact NZ-OD2 2.67Å; K483-D508 PolarHBondContact NZ-OD2 2.9Å; D508-R510 VanDerWaalsContact C-N 3.34Å; D508-R510 PolarHBondContact O-N 3.23Å
509G88.3Confident91.9Very high72 Ų7266.2 Ų66.274%0.74237%0.371SS*.THydrogen-bonded Turntrans-81.80.1-177.700000116.1E507E507-G509 VanDerWaalsContact C-N 3.31Å; E507-G509 PolarHBondContact O-N 2.82Å
510R93Very high91.8Very high109 Ų10972.1 Ų72.141%0.41140%0.398SS..SBendtrans-99.2157.2176.1-66.6-157.4-155.9-159.1-2.5111.1T478 I479 E507 D508 D514 Y515T478-R510 CarbonylContact C-O 3.58Å; T478-R510 VanDerWaalsContact CA-O 3.27Å; T478-R510 WeakPolarHBondContact CA-O 3.48Å; I479-R510 WeakPolarHBondContact CG1-O 3.28Å; I479-R510 PolarHBondContact N-O 3.37Å; E507-R510 HydrophobicContact CB-CG 4.37Å; E507-R510 PolarHBondContact O-N 2.77Å; E507-R510 VanDerWaalsContact O-N 3.14Å; E507-R510 IonicContact OE1-NH2 2.93Å; E507-R510 IonicContact OE2-CZ 2.96Å; E507-R510 IonicContact OE2-NE 2.67Å; E507-R510 PolarHBondContact OE2-NE 3.1Å; E507-R510 IonicContact OE2-NH2 3.65Å; E507-R510 PolarHBondContact OE2-NH2 2.81Å; E507-R510 VanDerWaalsContact OE2-NH2 3.11Å; D508-R510 VanDerWaalsContact C-N 3.34Å; D508-R510 PolarHBondContact O-N 3.23Å; R510-D514 WeakPolarHBondContact CA-OD2 3.42Å; R510-D514 HydrophobicContact CB-CB 4.21Å; R510-D514 WeakPolarHBondContact CB-OD2 3.44Å; R510-Y515 HydrophobicContact CB-CD2 4.36Å; R510-Y515 HydrophobicContact CB-CE2 3.52Å; R510-Y515 WeakPolarHBondContact CD-OH 3.16Å; R510-Y515 HydrophobicContact CG-CE2 4.32Å
511T93.3Very high91.9Very high27 Ų2771.5 Ų71.517%0.16640%0.397CS..BIsolated β-bridgetrans-89.1166.3177.866.60000112.5S476 D477 T478 S513 D514 Y515S476-T511 WeakPolarHBondContact O-CG2 3.48Å; D477-T511 CarbonylContact O-C 3.51Å; D477-T511 VanDerWaalsContact O-CA 3.22Å; D477-T511 WeakPolarHBondContact O-CA 3.46Å; T478-T511 HydrophobicContact CG2-CG2 4.45Å; T511-S513 VanDerWaalsContact C-N 3.25Å; T511-S513 PolarHBondContact O-N 2.92Å; T511-S513 PolarHBondContact OG1-N 3.09Å; T511-S513 PolarHBondContact OG1-OG 2.79Å; T511-D514 PolarHBondContact N-OD2 2.91Å; T511-D514 WeakPolarHBondContact O-CB 3.35Å; T511-D514 PolarHBondContact O-N 2.78Å; T511-D514 PolarHBondContact OG1-N 3.43Å; T511-D514 VanDerWaalsContact OG1-N 3.08Å; T511-D514 PolarHBondContact OG1-OD2 2.82Å; T511-Y515 VanDerWaalsContact O-CD2 3.3Å; T511-Y515 WeakPolarHBondContact O-CD2 3.38Å
512L92.7Very high91.8Very high0 Ų071.5 Ų71.50%040%0.401CS..THydrogen-bonded Turntrans-59.5-38.1168.9-70.9-178.4000112.1M457 I459 V473 D477 I479 V482 Y515 N516 I517M457-L512 HydrophobicContact CE-CD1 4.4Å; I459-L512 HydrophobicContact CD1-CD1 4.2Å; I459-L512 HydrophobicContact CD1-CD2 4.4Å; V473-L512 HydrophobicContact CB-CD1 3.56Å; V473-L512 HydrophobicContact CG1-CD1 4.08Å; V473-L512 HydrophobicContact CG2-CD1 3.41Å; V473-L512 VanDerWaalsContact CG2-CD1 3.41Å; D477-L512 HydrophobicContact CB-CD1 4.27Å; D477-L512 PolarHBondContact O-N 2.97Å; I479-L512 HydrophobicContact CD1-CD2 3.86Å; V482-L512 HydrophobicContact CG2-CD1 3.96Å; V482-L512 HydrophobicContact CG2-CD2 3.93Å; V482-L512 HydrophobicContact CG2-CG 3.99Å; L512-Y515 PolarHBondContact O-N 2.9Å; L512-N516 PolarHBondContact O-N 3.48Å; L512-I517 HydrophobicContact CB-CB 4.22Å; L512-I517 HydrophobicContact CD2-CB 4.12Å; L512-I517 HydrophobicContact CD2-CD1 3.49Å; L512-I517 VanDerWaalsContact CD2-CD1 3.49Å; L512-I517 HydrophobicContact CD2-CG1 4.39Å; L512-I517 HydrophobicContact CD2-CG2 4.07Å; L512-I517 PolarHBondContact O-N 3.21Å
513S92.6Very high92.1Very high52 Ų5267.2 Ų67.236%0.36437%0.366SS..G310 helixtrans-64.1-36.4176.560.30000112.9P475 T511 Y515 N516P475-S513 VanDerWaalsContact O-CB 3.26Å; P475-S513 WeakPolarHBondContact O-CB 3.33Å; P475-S513 PolarHBondContact O-N 2.93Å; P475-S513 PolarHBondContact O-OG 3.23Å; P475-S513 VanDerWaalsContact O-OG 3.13Å; T511-S513 VanDerWaalsContact C-N 3.25Å; T511-S513 PolarHBondContact O-N 2.92Å; T511-S513 PolarHBondContact OG1-N 3.09Å; T511-S513 PolarHBondContact OG1-OG 2.79Å; S513-Y515 PolarHBondContact O-N 3.25Å; S513-N516 PolarHBondContact O-N 2.8Å
514D94Very high92.4Very high93 Ų9368.3 Ų68.350%0.49735%0.351SS..G310 helixtrans-58.9-30.8175.7-69.8-30.7000112.4R510 T511R510-D514 WeakPolarHBondContact CA-OD2 3.42Å; R510-D514 HydrophobicContact CB-CB 4.21Å; R510-D514 WeakPolarHBondContact CB-OD2 3.44Å; T511-D514 PolarHBondContact N-OD2 2.91Å; T511-D514 WeakPolarHBondContact O-CB 3.35Å; T511-D514 PolarHBondContact O-N 2.78Å; T511-D514 PolarHBondContact OG1-N 3.43Å; T511-D514 VanDerWaalsContact OG1-N 3.08Å; T511-D514 PolarHBondContact OG1-OD2 2.82Å
515Y93Very high92.4Very high36 Ų3661.5 Ų61.514%0.14132%0.321CS..G310 helixtrans-94.76176.7-66.5-74.6000113.7I479 L506 E507 R510 T511 L512 S513 I517I479-Y515 HydrophobicContact CD1-CD2 4.32Å; I479-Y515 HydrophobicContact CD1-CE2 4.36Å; I479-Y515 HydrophobicContact CG1-CD2 4.43Å; I479-Y515 HydrophobicContact CG1-CE2 4.01Å; L506-Y515 HydrophobicContact CB-CE2 4.33Å; L506-Y515 HydrophobicContact CD2-CD1 3.61Å; L506-Y515 HydrophobicContact CD2-CD2 3.67Å; L506-Y515 HydrophobicContact CD2-CE1 3.72Å; L506-Y515 HydrophobicContact CD2-CE2 3.77Å; L506-Y515 HydrophobicContact CD2-CG 3.59Å; E507-Y515 WeakPolarHBondContact CB-OH 3.49Å; E507-Y515 PolarHBondContact N-OH 2.7Å; R510-Y515 HydrophobicContact CB-CD2 4.36Å; R510-Y515 HydrophobicContact CB-CE2 3.52Å; R510-Y515 WeakPolarHBondContact CD-OH 3.16Å; R510-Y515 HydrophobicContact CG-CE2 4.32Å; T511-Y515 VanDerWaalsContact O-CD2 3.3Å; T511-Y515 WeakPolarHBondContact O-CD2 3.38Å; L512-Y515 PolarHBondContact O-N 2.9Å; S513-Y515 PolarHBondContact O-N 3.25Å; Y515-I517 PolarHBondContact O-N 3.17Å
516N92.8Very high92.2Very high120 Ų12059.2 Ų59.264%0.64231%0.313SS*.THydrogen-bonded Turntrans51.835-172.9-68-42.1000113L512 S513 Q518L512-N516 PolarHBondContact O-N 3.48Å; S513-N516 PolarHBondContact O-N 2.8Å; N516-Q518 PolarHBondContact O-N 3.42Å
517I93.3Very high91.5Very high2 Ų263.2 Ų63.21%0.0133%0.334CS..  trans-73.7120.8174.8-65.6166.9000107.2M457 I459 F501 L506 L512 Y515 L523M457-I517 HydrophobicContact CE-CG2 4.3Å; M457-I517 WeakPolarHBondContact CE-O 3.38Å; I459-I517 HydrophobicContact CG2-CG2 3.97Å; F501-I517 HydrophobicContact CB-CD1 4.28Å; F501-I517 HydrophobicContact CD1-CD1 4.07Å; F501-I517 HydrophobicContact CD1-CG1 3.53Å; F501-I517 HydrophobicContact CD2-CG1 4.3Å; F501-I517 HydrophobicContact CE1-CG1 3.61Å; F501-I517 HydrophobicContact CE2-CG1 4.38Å; F501-I517 HydrophobicContact CG-CD1 4.1Å; F501-I517 HydrophobicContact CG-CG1 3.9Å; F501-I517 HydrophobicContact CZ-CG1 4.05Å; L506-I517 HydrophobicContact CD1-CD1 3.92Å; L506-I517 HydrophobicContact CD2-CD1 4.48Å; L512-I517 HydrophobicContact CB-CB 4.22Å; L512-I517 HydrophobicContact CD2-CB 4.12Å; L512-I517 HydrophobicContact CD2-CD1 3.49Å; L512-I517 VanDerWaalsContact CD2-CD1 3.49Å; L512-I517 HydrophobicContact CD2-CG1 4.39Å; L512-I517 HydrophobicContact CD2-CG2 4.07Å; L512-I517 PolarHBondContact O-N 3.21Å; Y515-I517 PolarHBondContact O-N 3.17Å; I517-L523 HydrophobicContact CD1-CD1 4.17Å; I517-L523 HydrophobicContact CD1-CD2 4.33Å; I517-L523 HydrophobicContact CD1-CG 4.4Å; I517-L523 HydrophobicContact CG2-CD1 3.95Å
518Q91.9Very high90.7Very high118 Ų11862.8 Ų62.855%0.55133%0.328SS*.  trans-106.3170.3-177.4-61.4-59.2-34.100111.3N516 E520 S521N516-Q518 PolarHBondContact O-N 3.42Å; Q518-E520 PolarHBondContact O-N 2.75Å; Q518-S521 PolarHBondContact N-OG 3.24Å; Q518-S521 WeakPolarHBondContact O-CB 3.28Å; Q518-S521 PolarHBondContact O-N 2.99Å; Q518-S521 PolarHBondContact O-OG 2.92Å
519K89.5Confident89.4Confident116 Ų11667.4 Ų67.450%0.50435%0.352SS..THydrogen-bonded Turntrans-49.1139.7169.6-178.1172.2177.4172.80110.8M457 S521M457-K519 HydrophobicContact CG-CB 4.12Å; K519-S521 PolarHBondContact O-N 3.46Å; K519-S521 VanDerWaalsContact O-N 3.17Å
520E90.5Very high87.9Confident125 Ų12575.2 Ų75.258%0.58436%0.359SS*.THydrogen-bonded Turntrans63.68.3-176.4-66.8165.6-159.700115.3Q458 F460 Q518Q458-E520 WeakPolarHBondContact O-CA 3.16Å; Q458-E520 PolarHBondContact O-N 2.89Å; F460-E520 WeakPolarHBondContact CD2-O 3.2Å; F460-E520 HydrophobicContact CE2-CB 3.94Å; F460-E520 HydrophobicContact CE2-CG 4Å; Q518-E520 PolarHBondContact O-N 2.75Å
521S95.5Very high86.3Confident21 Ų2172.6 Ų72.615%0.14737%0.365CS..  trans-61.6147171.8-65.70000111.3F460 Q518 K519F460-S521 PolarHBondContact N-O 2.65Å; Q518-S521 PolarHBondContact N-OG 3.24Å; Q518-S521 WeakPolarHBondContact O-CB 3.28Å; Q518-S521 PolarHBondContact O-N 2.99Å; Q518-S521 PolarHBondContact O-OG 2.92Å; K519-S521 PolarHBondContact O-N 3.46Å; K519-S521 VanDerWaalsContact O-N 3.17Å
522T94.4Very high85Confident45 Ų4571.6 Ų71.628%0.27636%0.361SS..EExtended strand (participates in β ladder)trans-111.1120.6177.4-58.50000111F460 K462 F501F460-T522 HydrophobicContact CB-CG2 4.3Å; F460-T522 CarbonylContact O-C 3.59Å; F460-T522 VanDerWaalsContact O-CA 3.27Å; F460-T522 WeakPolarHBondContact O-CA 3.28Å; K462-T522 HydrophobicContact CB-CG2 4.21Å; K462-T522 HydrophobicContact CD-CG2 3.75Å; K462-T522 HydrophobicContact CG-CG2 3.69Å; F501-T522 WeakPolarHBondContact CD2-O 3.32Å
523L95.4Very high84.6Confident0 Ų072.8 Ų72.80%037%0.367CS..EExtended strand (participates in β ladder)trans-95.1153.9169.6-73.663.4000109.2I459 F460 V461 K462 L499 F501 L506 I517I459-L523 HydrophobicContact CD1-CD1 4.02Å; I459-L523 HydrophobicContact CD1-CD2 4.23Å; F460-L523 PolarHBondContact O-N 2.89Å; V461-L523 CarbonylContact C-O 3.55Å; V461-L523 WeakPolarHBondContact CA-O 3.4Å; V461-L523 HydrophobicContact CG2-CB 4.32Å; K462-L523 PolarHBondContact N-O 2.89Å; L499-L523 HydrophobicContact CD1-CD2 4.38Å; F501-L523 HydrophobicContact CB-CG 4.33Å; F501-L523 HydrophobicContact CD2-CD1 4.15Å; F501-L523 HydrophobicContact CD2-CG 4.42Å; L506-L523 HydrophobicContact CD1-CD2 3.54Å; L506-L523 HydrophobicContact CD1-CG 4.1Å; I517-L523 HydrophobicContact CD1-CD1 4.17Å; I517-L523 HydrophobicContact CD1-CD2 4.33Å; I517-L523 HydrophobicContact CD1-CG 4.4Å; I517-L523 HydrophobicContact CG2-CD1 3.95Å
524H93.6Very high84.2Confident97 Ų9773.7 Ų73.745%0.44937%0.365SS..EExtended strand (participates in β ladder)trans-106.6126.1173.4-67.7-75.5000110.3K462 L499 I500K462-H524 WeakPolarHBondContact O-CA 3.26Å; L499-H524 CarbonylContact C-O 3.47Å; L499-H524 WeakPolarHBondContact CA-O 3.5Å; I500-H524 HydrophobicContact CB-CB 4.32Å; I500-H524 PolarHBondContact N-O 2.88Å; I500-H524 PolarHBondContact O-N 2.88Å
525L91.7Very high84.1Confident4 Ų469.3 Ų69.32%0.02134%0.341CS..EExtended strand (participates in β ladder)trans-98.4119.2175176.562.6000110.3V461 K462 T463 I469 I486 I492 Q497 L499 L527V461-L525 HydrophobicContact CG1-CB 3.51Å; V461-L525 HydrophobicContact CG1-CD2 4.32Å; V461-L525 HydrophobicContact CG1-CG 4.49Å; K462-L525 PolarHBondContact O-N 3.26Å; T463-L525 HydrophobicContact CG2-CD2 4.48Å; I469-L525 HydrophobicContact CD1-CD2 4.47Å; I486-L525 HydrophobicContact CG2-CD2 3.94Å; I492-L525 HydrophobicContact CD1-CD2 3.85Å; Q497-L525 HydrophobicContact CB-CD1 3.77Å; Q497-L525 HydrophobicContact CG-CD1 3.92Å; L499-L525 HydrophobicContact CD2-CB 4.08Å; L499-L525 HydrophobicContact CD2-CD1 3.8Å; L525-L527 HydrophobicContact CG-CD2 4.46Å
526V85.9Confident84.2Confident36 Ų3670 Ų7022%0.21835%0.346CS..EExtended strand (participates in β ladder)trans-111.3124.5172.3177.90000108.4L464 R498 I500L464-V526 HydrophobicContact CD1-CG1 4.2Å; L464-V526 HydrophobicContact CD1-CG2 4.42Å; L464-V526 HydrophobicContact CD2-CG2 4.27Å; L464-V526 HydrophobicContact CG-CG2 4.39Å; R498-V526 HydrophobicContact CB-CB 4.21Å; R498-V526 VanDerWaalsContact CB-O 3.24Å; R498-V526 WeakPolarHBondContact CB-O 3.38Å; R498-V526 PolarHBondContact N-O 3.47Å; R498-V526 PolarHBondContact O-N 3.44Å; I500-V526 HydrophobicContact CD1-CG2 3.93Å
527L80.8Confident84.2Confident88 Ų8864.3 Ų64.346%0.46132%0.315SS..EExtended strand (participates in β ladder)trans-80.6132.1177.4-62.3178.8000110.6I492 Q496 L525I492-L527 HydrophobicContact CD1-CD2 4.04Å; I492-L527 HydrophobicContact CG1-CD2 4.34Å; I492-L527 HydrophobicContact CG2-CD2 3.46Å; I492-L527 VanDerWaalsContact CG2-CD2 3.46Å; Q496-L527 WeakPolarHBondContact O-CA 3.43Å; L525-L527 HydrophobicContact CG-CD2 4.46Å
528R73.3Confident84.2Confident92 Ų9268.4 Ų68.435%0.34733%0.333SS..  trans-83.6118.5169.1-62.1-173.1179.8115.9-1.5109.2D495 Q496 Q497 R498 R530D495-R528 PolarHBondContact O-NH1 3.47Å; Q496-R528 PolarHBondContact O-N 3.32Å; Q497-R528 PolarHBondContact O-NH1 2.85Å; R498-R528 HydrophobicContact CB-CG 4.49Å; R528-R530 PolarHBondContact O-N 2.85Å
529L62.1Low84Confident163 Ų16363.9 Ų63.985%0.85331%0.313SS*.SBendtrans-76-14.1-174-73.1166.8000115.5
530R57.6Low83.6Confident236 Ų23665 Ų6589%0.89132%0.324SS*.SBendtrans-14428.8-164-70.3-166.8-76.4-159.5-3.5115.8R528R528-R530 PolarHBondContact O-N 2.85Å
531G58.1Low83.2Confident53 Ų5365.1 Ų65.155%0.54633%0.333SS..  trans-102.9-19.2-17300000117.1
532G66.8Low82.5Confident7 Ų766.8 Ų66.87%0.07235%0.354CS..SBendtrans-80160.5-165.400000115.3Q534 E548G532-Q534 PolarHBondContact O-N 2.76Å; G532-E548 WeakPolarHBondContact CA-OE2 3.41Å
533M83.9Confident82.3Confident25 Ų2569.6 Ų69.612%0.12336%0.362CS..EExtended strand (participates in β ladder)trans-73.1108.6166.6164.6-174.516700108I535 V549 P551 L588 I593 Q594 K595M533-I535 HydrophobicContact CE-CG2 3.89Å; M533-V549 VanDerWaalsContact CB-O 3.32Å; M533-V549 WeakPolarHBondContact CB-O 3.49Å; M533-V549 HydrophobicContact CE-CG2 4.15Å; M533-V549 HydrophobicContact CG-CG2 4.05Å; M533-V549 PolarHBondContact N-O 2.76Å; M533-V549 VanDerWaalsContact O-CG2 3.27Å; M533-V549 WeakPolarHBondContact O-CG2 3.23Å; M533-V549 PolarHBondContact O-N 3.49Å; M533-V549 HydrophobicContact SD-CG2 4.34Å; M533-P551 HydrophobicContact SD-CG 3.73Å; M533-L588 HydrophobicContact CE-CD1 4.44Å; M533-I593 HydrophobicContact CE-CG2 4.21Å; M533-I593 WeakPolarHBondContact CE-O 3.47Å; M533-Q594 VanDerWaalsContact CE-C 3.48Å; M533-K595 HydrophobicContact CG-CB 4.07Å
534Q85.2Confident82Confident71 Ų7172.6 Ų72.633%0.33238%0.381SS..EExtended strand (participates in β ladder)trans-83.8135.2173.9-70.7179.67.600110.5G532 T546 L547 E548 E596G532-Q534 PolarHBondContact O-N 2.76Å; Q534-T546 HydrophobicContact CB-CG2 4.24Å; Q534-T546 HydrophobicContact CG-CG2 4.27Å; Q534-L547 CarbonylContact C-O 3.6Å; Q534-L547 VanDerWaalsContact CA-O 3.29Å; Q534-L547 WeakPolarHBondContact CA-O 3.35Å; Q534-E548 VanDerWaalsContact CD-OE1 3.29Å; Q534-E548 HydrophobicContact CG-CG 4.3Å; Q534-E548 WeakPolarHBondContact CG-OE1 3.39Å; Q534-E548 VanDerWaalsContact CG-OE2 3.3Å; Q534-E548 WeakPolarHBondContact CG-OE2 3.37Å; Q534-E548 PolarHBondContact NE2-OE1 2.83Å; Q534-E596 WeakPolarHBondContact O-CA 3.41Å; Q534-E596 PolarHBondContact O-N 3.26Å
535I91.5Very high81.7Confident0 Ų068.3 Ų68.30%036%0.361CS..EExtended strand (participates in β ladder)trans-120.7164.1164.263.6171.2000109.5M533 L547 V549 V558 L588 I593 L599M533-I535 HydrophobicContact CE-CG2 3.89Å; I535-L547 HydrophobicContact CG1-CB 4Å; I535-L547 PolarHBondContact N-O 3.28Å; I535-L547 PolarHBondContact O-N 3.03Å; I535-V549 HydrophobicContact CB-CG2 4.22Å; I535-V549 HydrophobicContact CD1-CB 4.43Å; I535-V549 HydrophobicContact CD1-CG1 3.75Å; I535-V549 HydrophobicContact CD1-CG2 3.89Å; I535-V549 HydrophobicContact CG1-CB 4.48Å; I535-V549 HydrophobicContact CG1-CG1 3.87Å; I535-V549 HydrophobicContact CG1-CG2 3.72Å; I535-V549 HydrophobicContact CG2-CG2 3.64Å; I535-V558 HydrophobicContact CD1-CG1 4.31Å; I535-L588 HydrophobicContact CD1-CD1 4.19Å; I535-L588 HydrophobicContact CD1-CD2 4.45Å; I535-I593 HydrophobicContact CG2-CG2 3.97Å; I535-L599 HydrophobicContact CB-CD1 4.47Å; I535-L599 HydrophobicContact CD1-CD1 3.96Å; I535-L599 HydrophobicContact CD1-CD2 4.21Å
536F93.6Very high81.6Confident52 Ų5270.8 Ų70.823%0.22838%0.376CS..EExtended strand (participates in β ladder)trans-113.8139.4176.9-56.7-73.6000110.2T544 I545 T546 E596 S597 T598 L599F536-T544 HydrophobicContact CB-CG2 3.78Å; F536-T544 HydrophobicContact CD1-CG2 3.97Å; F536-T544 HydrophobicContact CG-CG2 4.2Å; F536-I545 CarbonylContact C-O 3.53Å; F536-I545 WeakPolarHBondContact CA-O 3.45Å; F536-T546 HydrophobicContact CD1-CG2 4.19Å; F536-T546 HydrophobicContact CE1-CG2 3.94Å; F536-E596 WeakPolarHBondContact CD2-O 3.1Å; F536-E596 HydrophobicContact CE2-CB 3.92Å; F536-E596 HydrophobicContact CE2-CG 3.99Å; F536-S597 PolarHBondContact N-O 3.22Å; F536-T598 HydrophobicContact CB-CG2 4.35Å; F536-T598 CarbonylContact O-C 3.52Å; F536-T598 VanDerWaalsContact O-CA 3.26Å; F536-T598 WeakPolarHBondContact O-CA 3.2Å; F536-L599 PolarHBondContact O-N 3.39Å
537V93.4Very high81.6Confident0 Ų069 Ų690%037%0.366CS..EExtended strand (participates in β ladder)trans-119.2111.7174-178.10000108.2I545 L547 I562 L575 L599 L601V537-I545 HydrophobicContact CB-CB 4.32Å; V537-I545 PolarHBondContact N-O 2.83Å; V537-I545 PolarHBondContact O-N 2.89Å; V537-L547 HydrophobicContact CG2-CD1 3.5Å; V537-L547 VanDerWaalsContact CG2-CD1 3.5Å; V537-L547 HydrophobicContact CG2-CG 4.1Å; V537-I562 HydrophobicContact CG1-CD1 4.01Å; V537-I562 HydrophobicContact CG2-CD1 4.16Å; V537-L575 HydrophobicContact CG1-CD2 4.02Å; V537-L599 CarbonylContact C-O 3.58Å; V537-L599 WeakPolarHBondContact CA-O 3.42Å; V537-L599 HydrophobicContact CG2-CB 4.33Å; V537-L601 HydrophobicContact CG1-CB 3.55Å; V537-L601 HydrophobicContact CG1-CD2 4.44Å
538K92.7Very high81.6Confident87 Ų8767.1 Ų67.138%0.37836%0.355SS..EExtended strand (participates in β ladder)trans-91.4124.7177.4-77.8-173.5-178.3178.70111K543 T544 T598 L599 H600 L601K538-K543 WeakPolarHBondContact CA-O 3.5Å; K538-T544 HydrophobicContact CG-CG2 4.15Å; K538-T544 WeakPolarHBondContact CG-OG1 3.3Å; K538-T598 HydrophobicContact CB-CG2 4.21Å; K538-T598 HydrophobicContact CD-CG2 3.73Å; K538-T598 HydrophobicContact CG-CG2 3.69Å; K538-L599 PolarHBondContact N-O 2.87Å; K538-H600 CarbonylContact O-C 3.6Å; K538-H600 WeakPolarHBondContact O-CA 3.49Å; K538-L601 PolarHBondContact O-N 2.88Å
539T88.3Confident82.2Confident24 Ų2462.9 Ų62.915%0.14734%0.339CS..EExtended strand (participates in β ladder)trans-80.2164.1171.569.40000110.9T541 G542 K543 I545 L601T539-T541 PolarHBondContact O-N 2.79Å; T539-T541 PolarHBondContact OG1-N 2.83Å; T539-T541 PolarHBondContact OG1-OG1 3.37Å; T539-G542 PolarHBondContact O-N 3.46Å; T539-K543 HydrophobicContact CG2-CB 4.37Å; T539-K543 PolarHBondContact N-O 2.92Å; T539-K543 WeakPolarHBondContact OG1-CB 3.47Å; T539-K543 PolarHBondContact OG1-N 2.9Å; T539-K543 PolarHBondContact OG1-O 2.82Å; T539-I545 HydrophobicContact CG2-CD1 3.82Å; T539-L601 HydrophobicContact CG2-CD2 4.38Å
540L80.9Confident83.1Confident139 Ų13956.6 Ų56.673%0.72831%0.305SS*.THydrogen-bonded Turntrans-61.7-22.7172.5-68.3176.5000113.7G542 V602L540-G542 PolarHBondContact O-N 3.24Å; L540-V602 HydrophobicContact CD1-CG1 4.27Å; L540-V602 HydrophobicContact CD2-CG2 4.31Å
541T82.8Confident84.4Confident128 Ų12848.6 Ų48.679%0.78528%0.284SS*.THydrogen-bonded Turntrans-78.9-2.3175.258.40000113.1T539 K543T539-T541 PolarHBondContact O-N 2.79Å; T539-T541 PolarHBondContact OG1-N 2.83Å; T539-T541 PolarHBondContact OG1-OG1 3.37Å; T541-K543 VanDerWaalsContact C-N 3.33Å
542G81Confident85.6Confident56 Ų5649.5 Ų49.558%0.57728%0.281SS*.SBendtrans85.9-2-177.700000114.5T539 L540T539-G542 PolarHBondContact O-N 3.46Å; L540-G542 PolarHBondContact O-N 3.24Å
543K89.4Confident86.5Confident103 Ų10349.4 Ų49.445%0.44828%0.279SS..  trans-66.4135173.5-175.1179.9173.8-172.70109.3K538 T539 T541 E566K538-K543 WeakPolarHBondContact CA-O 3.5Å; T539-K543 HydrophobicContact CG2-CB 4.37Å; T539-K543 PolarHBondContact N-O 2.92Å; T539-K543 WeakPolarHBondContact OG1-CB 3.47Å; T539-K543 PolarHBondContact OG1-N 2.9Å; T539-K543 PolarHBondContact OG1-O 2.82Å; T541-K543 VanDerWaalsContact C-N 3.33Å; K543-E566 WeakPolarHBondContact CE-OE1 3.13Å; K543-E566 IonicContact NZ-OE1 3.14Å; K543-E566 PolarHBondContact NZ-OE1 3.01Å; K543-E566 IonicContact NZ-OE2 2.81Å; K543-E566 PolarHBondContact NZ-OE2 2.86Å
544T89.6Confident86.8Confident64 Ų6449.9 Ų49.939%0.39328%0.284SS..EExtended strand (participates in β ladder)trans-108.1124175-54.70000109.1F536 K538F536-T544 HydrophobicContact CB-CG2 3.78Å; F536-T544 HydrophobicContact CD1-CG2 3.97Å; F536-T544 HydrophobicContact CG-CG2 4.2Å; K538-T544 HydrophobicContact CG-CG2 4.15Å; K538-T544 WeakPolarHBondContact CG-OG1 3.3Å
545I87.6Confident87.1Confident7 Ų746.5 Ų46.54%0.03627%0.268CS..EExtended strand (participates in β ladder)trans-104.9122.5178-56.5149.1000107.2F536 V537 T539 L547 K565 E566F536-I545 CarbonylContact C-O 3.53Å; F536-I545 WeakPolarHBondContact CA-O 3.45Å; V537-I545 HydrophobicContact CB-CB 4.32Å; V537-I545 PolarHBondContact N-O 2.83Å; V537-I545 PolarHBondContact O-N 2.89Å; T539-I545 HydrophobicContact CG2-CD1 3.82Å; I545-L547 HydrophobicContact CG2-CD2 3.9Å; I545-L547 HydrophobicContact CG2-CG 4.38Å; I545-K565 HydrophobicContact CG2-CD 4.15Å; I545-E566 HydrophobicContact CD1-CG 3.53Å; I545-E566 HydrophobicContact CG1-CG 3.94Å
546T88.6Confident87Confident55 Ų5552.1 Ų52.134%0.33729%0.294SS..EExtended strand (participates in β ladder)trans-85.6129.5173.4-51.60000109.1Q534 F536 K565Q534-T546 HydrophobicContact CB-CG2 4.24Å; Q534-T546 HydrophobicContact CG-CG2 4.27Å; F536-T546 HydrophobicContact CD1-CG2 4.19Å; F536-T546 HydrophobicContact CE1-CG2 3.94Å; T546-K565 PolarHBondContact O-NZ 2.73Å
547L85.9Confident86.8Confident0 Ų052.8 Ų52.80%030%0.3CS..EExtended strand (participates in β ladder)trans-118.6138.9174-59178.8000109.6Q534 I535 V537 I545 V549 V558 K561 I562 K565Q534-L547 CarbonylContact C-O 3.6Å; Q534-L547 VanDerWaalsContact CA-O 3.29Å; Q534-L547 WeakPolarHBondContact CA-O 3.35Å; I535-L547 HydrophobicContact CG1-CB 4Å; I535-L547 PolarHBondContact N-O 3.28Å; I535-L547 PolarHBondContact O-N 3.03Å; V537-L547 HydrophobicContact CG2-CD1 3.5Å; V537-L547 VanDerWaalsContact CG2-CD1 3.5Å; V537-L547 HydrophobicContact CG2-CG 4.1Å; I545-L547 HydrophobicContact CG2-CD2 3.9Å; I545-L547 HydrophobicContact CG2-CG 4.38Å; L547-V549 HydrophobicContact CB-CG1 4.05Å; L547-V558 HydrophobicContact CD1-CG1 3.89Å; L547-K561 HydrophobicContact CD2-CB 4.21Å; L547-I562 HydrophobicContact CD1-CD1 4.16Å; L547-I562 HydrophobicContact CD1-CG1 3.58Å; L547-I562 HydrophobicContact CD2-CG1 4.45Å; L547-K565 HydrophobicContact CD2-CD 3.83Å; L547-K565 HydrophobicContact CD2-CG 4.47Å
548E81.8Confident86.6Confident48 Ų4852.8 Ų52.822%0.22430%0.3CS..EExtended strand (participates in β ladder)trans-89.6124166-69.9-73.8-178.600107.5G532 Q534 K561G532-E548 WeakPolarHBondContact CA-OE2 3.41Å; Q534-E548 VanDerWaalsContact CD-OE1 3.29Å; Q534-E548 HydrophobicContact CG-CG 4.3Å; Q534-E548 WeakPolarHBondContact CG-OE1 3.39Å; Q534-E548 VanDerWaalsContact CG-OE2 3.3Å; Q534-E548 WeakPolarHBondContact CG-OE2 3.37Å; Q534-E548 PolarHBondContact NE2-OE1 2.83Å; E548-K561 WeakPolarHBondContact O-CD 3.34Å; E548-K561 PolarHBondContact O-NZ 3.43Å
549V86.5Confident86.7Confident3 Ų349 Ų492%0.01828%0.284CS..EExtended strand (participates in β ladder)trans-137.6166.3-174.8-62.20000110.2M533 I535 L547 D553 V558 K561 L588M533-V549 VanDerWaalsContact CB-O 3.32Å; M533-V549 WeakPolarHBondContact CB-O 3.49Å; M533-V549 HydrophobicContact CE-CG2 4.15Å; M533-V549 HydrophobicContact CG-CG2 4.05Å; M533-V549 PolarHBondContact N-O 2.76Å; M533-V549 VanDerWaalsContact O-CG2 3.27Å; M533-V549 WeakPolarHBondContact O-CG2 3.23Å; M533-V549 PolarHBondContact O-N 3.49Å; M533-V549 HydrophobicContact SD-CG2 4.34Å; I535-V549 HydrophobicContact CB-CG2 4.22Å; I535-V549 HydrophobicContact CD1-CB 4.43Å; I535-V549 HydrophobicContact CD1-CG1 3.75Å; I535-V549 HydrophobicContact CD1-CG2 3.89Å; I535-V549 HydrophobicContact CG1-CB 4.48Å; I535-V549 HydrophobicContact CG1-CG1 3.87Å; I535-V549 HydrophobicContact CG1-CG2 3.72Å; I535-V549 HydrophobicContact CG2-CG2 3.64Å; L547-V549 HydrophobicContact CB-CG1 4.05Å; V549-D553 VanDerWaalsContact CA-OD2 3.27Å; V549-D553 WeakPolarHBondContact CA-OD2 3.46Å; V549-V558 HydrophobicContact CG1-CG2 4.3Å; V549-K561 HydrophobicContact CG1-CD 4.23Å; V549-L588 HydrophobicContact CB-CD1 3.56Å; V549-L588 HydrophobicContact CG1-CD1 4.06Å; V549-L588 HydrophobicContact CG2-CD1 3.41Å; V549-L588 VanDerWaalsContact CG2-CD1 3.41Å
550E80.4Confident86.6Confident31 Ų3149.7 Ų49.715%0.14529%0.292CS..  trans-113.6154166.7-66.3-175.5167.900110P493 S552 D553P493-E550 WeakPolarHBondContact CB-OE1 3.41Å; E550-S552 PolarHBondContact O-N 3.43Å; E550-S552 VanDerWaalsContact O-N 3.12Å; E550-S552 PolarHBondContact OE2-OG 2.87Å; E550-D553 PolarHBondContact N-OD2 3.05Å; E550-D553 WeakPolarHBondContact O-CB 3.36Å; E550-D553 PolarHBondContact O-N 2.8Å
551P85.2Confident86.9Confident68 Ų6845.1 Ų45.144%0.44227%0.266SS..THydrogen-bonded Turntrans-55.4-29.6175.1-2533.3000113.7M533 L588 S589M533-P551 HydrophobicContact SD-CG 3.73Å; P551-L588 PolarHBondContact O-N 3.22Å; P551-S589 VanDerWaalsContact O-CB 3.25Å; P551-S589 WeakPolarHBondContact O-CB 3.18Å; P551-S589 PolarHBondContact O-N 3.08Å; P551-S589 PolarHBondContact O-OG 3.01Å
552S83Confident87.2Confident71 Ų7139 Ų3950%0.49723%0.229SC..THydrogen-bonded Turntrans-77.4-13.8176.343.90000114.1E550 T554 T587E550-S552 PolarHBondContact O-N 3.43Å; E550-S552 VanDerWaalsContact O-N 3.12Å; E550-S552 PolarHBondContact OE2-OG 2.87Å; S552-T554 PolarHBondContact O-N 2.72Å; S552-T587 VanDerWaalsContact O-CG2 3.3Å; S552-T587 WeakPolarHBondContact O-CG2 3.41Å
553D85.4Confident87.6Confident5 Ų540 Ų403%0.02722%0.218CC..  trans-59.4129.5179.5-89.2-33.8000109.9V549 E550 N557 V558 K561 T587 L588V549-D553 VanDerWaalsContact CA-OD2 3.27Å; V549-D553 WeakPolarHBondContact CA-OD2 3.46Å; E550-D553 PolarHBondContact N-OD2 3.05Å; E550-D553 WeakPolarHBondContact O-CB 3.36Å; E550-D553 PolarHBondContact O-N 2.8Å; D553-N557 HydrophobicContact CB-CB 4.22Å; D553-N557 PolarHBondContact OD1-ND2 2.72Å; D553-N557 VanDerWaalsContact OD1-ND2 3.16Å; D553-V558 HydrophobicContact CB-CG2 4.4Å; D553-K561 VanDerWaalsContact OD2-CE 3.31Å; D553-K561 WeakPolarHBondContact OD2-CE 3.25Å; D553-K561 IonicContact OD2-NZ 2.75Å; D553-K561 PolarHBondContact OD2-NZ 3.34Å; D553-T587 CarbonylContact O-C 3.56Å; D553-T587 VanDerWaalsContact O-CA 3.24Å; D553-T587 WeakPolarHBondContact O-CA 3.23Å; D553-L588 HydrophobicContact CB-CD1 4.29Å; D553-L588 PolarHBondContact O-N 3.5Å
554T89.5Confident87.2Confident35 Ų3541.5 Ų41.522%0.21523%0.231CC..BIsolated β-bridgetrans-70.8157.9171.6640000110.6S552 E556 N557 V558 R586 T587S552-T554 PolarHBondContact O-N 2.72Å; T554-E556 PolarHBondContact O-N 3.23Å; T554-N557 WeakPolarHBondContact O-CA 3.41Å; T554-N557 WeakPolarHBondContact O-CB 3.21Å; T554-N557 PolarHBondContact O-N 3.17Å; T554-N557 PolarHBondContact OG1-N 3.3Å; T554-N557 VanDerWaalsContact OG1-N 3.12Å; T554-N557 PolarHBondContact OG1-OD1 2.83Å; T554-N557 VanDerWaalsContact OG1-OD1 3.06Å; T554-V558 WeakPolarHBondContact O-CG2 3.42Å; T554-V558 PolarHBondContact O-N 3.39Å; T554-R586 CarbonylContact C-O 3.5Å; T554-R586 VanDerWaalsContact CA-O 3.24Å; T554-R586 WeakPolarHBondContact CA-O 3.38Å; T554-T587 HydrophobicContact CG2-CG2 4.38Å
555I91.7Very high87Confident0 Ų044 Ų440%024%0.237CC..Hα-helixtrans-61.9-31.3174.4-60.2-56.3000110.9V558 K559 L575 L582 E583 D584 R586 L588 Y591I555-V558 PolarHBondContact O-N 3.35Å; I555-K559 WeakPolarHBondContact O-CG 3.33Å; I555-K559 PolarHBondContact O-N 3.21Å; I555-L575 HydrophobicContact CG2-CD1 4.22Å; I555-L582 HydrophobicContact CB-CB 4.46Å; I555-L582 HydrophobicContact CD1-CB 3.83Å; I555-L582 HydrophobicContact CD1-CD1 3.63Å; I555-L582 HydrophobicContact CD1-CG 4.23Å; I555-L582 HydrophobicContact CG1-CB 3.84Å; I555-L582 HydrophobicContact CG2-CB 3.79Å; I555-E583 VanDerWaalsContact CB-O 3.28Å; I555-E583 WeakPolarHBondContact CB-O 3.41Å; I555-E583 VanDerWaalsContact CG1-O 3.27Å; I555-E583 WeakPolarHBondContact CG1-O 3.32Å; I555-D584 PolarHBondContact N-O 3.24Å; I555-R586 WeakPolarHBondContact CG1-O 3.49Å; I555-R586 PolarHBondContact N-O 3.01Å; I555-L588 HydrophobicContact CD1-CD2 3.9Å; I555-Y591 HydrophobicContact CD1-CD2 4.25Å; I555-Y591 HydrophobicContact CD1-CE2 4.29Å; I555-Y591 HydrophobicContact CG1-CD2 4.41Å; I555-Y591 HydrophobicContact CG1-CE2 3.99Å
556E90.4Very high86.9Confident118 Ų11846.9 Ų46.955%0.55125%0.25SC*.Hα-helixtrans-59.6-45.9169.2-168.2170.7-16700112.3T554 V558 K559 A560 D584T554-E556 PolarHBondContact O-N 3.23Å; E556-V558 VanDerWaalsContact C-N 3.32Å; E556-V558 PolarHBondContact O-N 3.01Å; E556-K559 WeakPolarHBondContact O-CB 3.49Å; E556-K559 PolarHBondContact O-N 3.04Å; E556-A560 PolarHBondContact O-N 2.83Å; E556-D584 HydrophobicContact CB-CB 4.18Å; E556-D584 PolarHBondContact N-O 3.35Å; E556-D584 VanDerWaalsContact N-O 3.13Å
557N88Confident86.7Confident67 Ų6747 Ų4736%0.35826%0.262SS..Hα-helixtrans-59.1-44.8174.1-65.1-3.2000111.2D553 T554 K559 A560 K561D553-N557 HydrophobicContact CB-CB 4.22Å; D553-N557 PolarHBondContact OD1-ND2 2.72Å; D553-N557 VanDerWaalsContact OD1-ND2 3.16Å; T554-N557 WeakPolarHBondContact O-CA 3.41Å; T554-N557 WeakPolarHBondContact O-CB 3.21Å; T554-N557 PolarHBondContact O-N 3.17Å; T554-N557 PolarHBondContact OG1-N 3.3Å; T554-N557 VanDerWaalsContact OG1-N 3.12Å; T554-N557 PolarHBondContact OG1-OD1 2.83Å; T554-N557 VanDerWaalsContact OG1-OD1 3.06Å; N557-K559 VanDerWaalsContact C-N 3.29Å; N557-K559 PolarHBondContact O-N 2.92Å; N557-A560 WeakPolarHBondContact O-CB 3.3Å; N557-A560 PolarHBondContact O-N 3.09Å; N557-K561 WeakPolarHBondContact O-CG 3.33Å; N557-K561 PolarHBondContact O-N 3.16Å
558V90.3Very high86.7Confident0 Ų048.2 Ų48.20%027%0.268CS..Hα-helixtrans-60.5-41.5178.21790000110.6I535 L547 V549 D553 T554 I555 E556 K561 I562 L575 L588 L599I535-V558 HydrophobicContact CD1-CG1 4.31Å; L547-V558 HydrophobicContact CD1-CG1 3.89Å; V549-V558 HydrophobicContact CG1-CG2 4.3Å; D553-V558 HydrophobicContact CB-CG2 4.4Å; T554-V558 WeakPolarHBondContact O-CG2 3.42Å; T554-V558 PolarHBondContact O-N 3.39Å; I555-V558 PolarHBondContact O-N 3.35Å; E556-V558 VanDerWaalsContact C-N 3.32Å; E556-V558 PolarHBondContact O-N 3.01Å; V558-K561 PolarHBondContact O-N 3.48Å; V558-I562 HydrophobicContact CG1-CD1 4.29Å; V558-I562 WeakPolarHBondContact O-CG1 3.15Å; V558-I562 PolarHBondContact O-N 3.18Å; V558-L575 HydrophobicContact CB-CD1 4.29Å; V558-L575 HydrophobicContact CG1-CD1 3.74Å; V558-L588 HydrophobicContact CG2-CD1 3.99Å; V558-L588 HydrophobicContact CG2-CD2 3.93Å; V558-L588 HydrophobicContact CG2-CG 4.01Å; V558-L599 HydrophobicContact CG1-CD2 4.49Å
559K93.4Very high86.9Confident7 Ų747.8 Ų47.83%0.0327%0.269CS..Hα-helixtrans-64.6-42.2175.7-73.1175.4168.4-170.70112.5I555 E556 N557 K561 I562 Q563 P570 Q573 L575 D584I555-K559 WeakPolarHBondContact O-CG 3.33Å; I555-K559 PolarHBondContact O-N 3.21Å; E556-K559 WeakPolarHBondContact O-CB 3.49Å; E556-K559 PolarHBondContact O-N 3.04Å; N557-K559 VanDerWaalsContact C-N 3.29Å; N557-K559 PolarHBondContact O-N 2.92Å; K559-K561 VanDerWaalsContact C-N 3.31Å; K559-K561 PolarHBondContact O-N 2.91Å; K559-I562 WeakPolarHBondContact O-CB 3.14Å; K559-I562 PolarHBondContact O-N 3.23Å; K559-I562 VanDerWaalsContact O-N 3.15Å; K559-Q563 PolarHBondContact O-N 2.98Å; K559-P570 HydrophobicContact CB-CB 3.92Å; K559-P570 HydrophobicContact CB-CG 4.37Å; K559-P570 HydrophobicContact CD-CB 4.25Å; K559-P570 PolarHBondContact NZ-O 2.79Å; K559-Q573 HydrophobicContact CD-CB 4.26Å; K559-Q573 VanDerWaalsContact CE-O 3.22Å; K559-Q573 WeakPolarHBondContact CE-O 3.14Å; K559-Q573 HydrophobicContact CG-CB 4.05Å; K559-Q573 PolarHBondContact NZ-O 3.27Å; K559-Q573 PolarHBondContact O-NE2 3.4Å; K559-Q573 PolarHBondContact O-OE1 3.44Å; K559-L575 HydrophobicContact CG-CD1 3.96Å; K559-D584 WeakPolarHBondContact CD-OD1 3.49Å; K559-D584 WeakPolarHBondContact CE-OD1 3.27Å; K559-D584 IonicContact NZ-OD1 2.65Å; K559-D584 PolarHBondContact NZ-OD1 3.06Å; K559-D584 IonicContact NZ-OD2 2.7Å; K559-D584 PolarHBondContact NZ-OD2 2.72Å
560A88.1Confident87Confident39 Ų3949.3 Ų49.332%0.32228%0.279SS..Hα-helixtrans-58.3-44.717400000110.9E556 N557 I562 Q563 D564E556-A560 PolarHBondContact O-N 2.83Å; N557-A560 WeakPolarHBondContact O-CB 3.3Å; N557-A560 PolarHBondContact O-N 3.09Å; A560-I562 VanDerWaalsContact C-N 3.28Å; A560-I562 PolarHBondContact O-N 3.49Å; A560-Q563 WeakPolarHBondContact O-CA 2.98Å; A560-Q563 VanDerWaalsContact O-CB 3.31Å; A560-Q563 WeakPolarHBondContact O-CB 3.33Å; A560-Q563 PolarHBondContact O-N 2.82Å; A560-D564 PolarHBondContact O-N 3.25Å
561K87Confident87.2Confident43 Ų4353 Ų5319%0.18730%0.3CS..Hα-helixtrans-60.8-34.8175.5-66-179-163.6-1480113.2L547 E548 V549 D553 N557 V558 K559 K565L547-K561 HydrophobicContact CD2-CB 4.21Å; E548-K561 WeakPolarHBondContact O-CD 3.34Å; E548-K561 PolarHBondContact O-NZ 3.43Å; V549-K561 HydrophobicContact CG1-CD 4.23Å; D553-K561 VanDerWaalsContact OD2-CE 3.31Å; D553-K561 WeakPolarHBondContact OD2-CE 3.25Å; D553-K561 IonicContact OD2-NZ 2.75Å; D553-K561 PolarHBondContact OD2-NZ 3.34Å; N557-K561 WeakPolarHBondContact O-CG 3.33Å; N557-K561 PolarHBondContact O-N 3.16Å; V558-K561 PolarHBondContact O-N 3.48Å; K559-K561 VanDerWaalsContact C-N 3.31Å; K559-K561 PolarHBondContact O-N 2.91Å; K561-K565 PolarHBondContact O-N 3.06Å
562I89Confident87.3Confident0 Ų052.1 Ų52.10%029%0.29CS..Hα-helixtrans-69.9-41.2173.6-65.9164.4000110.6V537 L547 V558 K559 A560 D564 K565 E566 I568 Q573 L575 L601V537-I562 HydrophobicContact CG1-CD1 4.01Å; V537-I562 HydrophobicContact CG2-CD1 4.16Å; L547-I562 HydrophobicContact CD1-CD1 4.16Å; L547-I562 HydrophobicContact CD1-CG1 3.58Å; L547-I562 HydrophobicContact CD2-CG1 4.45Å; V558-I562 HydrophobicContact CG1-CD1 4.29Å; V558-I562 WeakPolarHBondContact O-CG1 3.15Å; V558-I562 PolarHBondContact O-N 3.18Å; K559-I562 WeakPolarHBondContact O-CB 3.14Å; K559-I562 PolarHBondContact O-N 3.23Å; K559-I562 VanDerWaalsContact O-N 3.15Å; A560-I562 VanDerWaalsContact C-N 3.28Å; A560-I562 PolarHBondContact O-N 3.49Å; I562-D564 VanDerWaalsContact C-N 3.29Å; I562-D564 PolarHBondContact O-N 3.2Å; I562-K565 PolarHBondContact O-N 3.43Å; I562-E566 WeakPolarHBondContact O-CB 3.47Å; I562-E566 PolarHBondContact O-N 2.78Å; I562-I568 HydrophobicContact CG2-CD1 4.36Å; I562-Q573 VanDerWaalsContact CB-OE1 3.31Å; I562-Q573 VanDerWaalsContact CD1-OE1 3.31Å; I562-L575 HydrophobicContact CD1-CD1 3.94Å; I562-L575 HydrophobicContact CD1-CD2 3.66Å; I562-L575 HydrophobicContact CD1-CG 4.3Å; I562-L601 HydrophobicContact CG2-CD2 3.84Å
563Q89.6Confident87.7Confident76 Ų7648.7 Ų48.736%0.35527%0.267SS..Hα-helixtrans-58.9-43.8174.9-175.9-1791500110.7K559 A560 K565 G567 I568 P570K559-Q563 PolarHBondContact O-N 2.98Å; A560-Q563 WeakPolarHBondContact O-CA 2.98Å; A560-Q563 VanDerWaalsContact O-CB 3.31Å; A560-Q563 WeakPolarHBondContact O-CB 3.33Å; A560-Q563 PolarHBondContact O-N 2.82Å; Q563-K565 VanDerWaalsContact C-N 3.33Å; Q563-K565 PolarHBondContact O-N 2.76Å; Q563-G567 WeakPolarHBondContact O-CA 3.46Å; Q563-G567 PolarHBondContact O-N 2.92Å; Q563-I568 VanDerWaalsContact CA-O 3.25Å; Q563-I568 WeakPolarHBondContact CA-O 3.32Å; Q563-I568 WeakPolarHBondContact CB-O 3.34Å; Q563-I568 WeakPolarHBondContact CG-O 3.28Å; Q563-P570 HydrophobicContact CB-CG 4.44Å; Q563-P570 VanDerWaalsContact CD-CD 3.47Å
564D80.9Confident88Confident134 Ų13453.2 Ų53.272%0.71728%0.283SS*.Hα-helixtrans-65.1-36.5-179.8-67.1-24.5000112.4A560 I562A560-D564 PolarHBondContact O-N 3.25Å; I562-D564 VanDerWaalsContact C-N 3.29Å; I562-D564 PolarHBondContact O-N 3.2Å
565K84.5Confident88.2Confident118 Ų11851.6 Ų51.651%0.51327%0.273SS..Hα-helixtrans-83.4-35.9-179.8-71.4-159.9-176.7-1690114.5I545 T546 L547 K561 I562 Q563I545-K565 HydrophobicContact CG2-CD 4.15Å; T546-K565 PolarHBondContact O-NZ 2.73Å; L547-K565 HydrophobicContact CD2-CD 3.83Å; L547-K565 HydrophobicContact CD2-CG 4.47Å; K561-K565 PolarHBondContact O-N 3.06Å; I562-K565 PolarHBondContact O-N 3.43Å; Q563-K565 VanDerWaalsContact C-N 3.33Å; Q563-K565 PolarHBondContact O-N 2.76Å
566E85.4Confident88.3Confident66 Ų6653.6 Ų53.631%0.30828%0.284SS..Hα-helixtrans-120.3-4.9-169.4-62.9-68.813700113.7K543 I545 I562 I568K543-E566 WeakPolarHBondContact CE-OE1 3.13Å; K543-E566 IonicContact NZ-OE1 3.14Å; K543-E566 PolarHBondContact NZ-OE1 3.01Å; K543-E566 IonicContact NZ-OE2 2.81Å; K543-E566 PolarHBondContact NZ-OE2 2.86Å; I545-E566 HydrophobicContact CD1-CG 3.53Å; I545-E566 HydrophobicContact CG1-CG 3.94Å; I562-E566 WeakPolarHBondContact O-CB 3.47Å; I562-E566 PolarHBondContact O-N 2.78Å; E566-I568 VanDerWaalsContact C-N 3.25Å; E566-I568 HydrophobicContact CB-CD1 3.76Å; E566-I568 HydrophobicContact CB-CG1 4.03Å; E566-I568 PolarHBondContact O-N 2.89Å
567G84.7Confident88.5Confident57 Ų5750.1 Ų50.159%0.58827%0.266SS*.  trans72.312.2-178.900000114.7Q563 P569Q563-G567 WeakPolarHBondContact O-CA 3.46Å; Q563-G567 PolarHBondContact O-N 2.92Å; G567-P569 WeakPolarHBondContact O-CD 3.49Å
568I85.9Confident88.5Confident26 Ų2651.2 Ų51.213%0.13329%0.285CS..  trans-86.8118.1-175.8-57.9162.1000109.6I562 Q563 E566 Q572 Q573 L601 L603I562-I568 HydrophobicContact CG2-CD1 4.36Å; Q563-I568 VanDerWaalsContact CA-O 3.25Å; Q563-I568 WeakPolarHBondContact CA-O 3.32Å; Q563-I568 WeakPolarHBondContact CB-O 3.34Å; Q563-I568 WeakPolarHBondContact CG-O 3.28Å; E566-I568 VanDerWaalsContact C-N 3.25Å; E566-I568 HydrophobicContact CB-CD1 3.76Å; E566-I568 HydrophobicContact CB-CG1 4.03Å; E566-I568 PolarHBondContact O-N 2.89Å; I568-Q572 HydrophobicContact CG2-CB 4.38Å; I568-Q573 HydrophobicContact CB-CG 4.28Å; I568-Q573 HydrophobicContact CG2-CG 3.55Å; I568-Q573 PolarHBondContact O-NE2 2.69Å; I568-L601 HydrophobicContact CD1-CD2 3.83Å; I568-L603 HydrophobicContact CD1-CD2 4.09Å; I568-L603 HydrophobicContact CG1-CD2 4.39Å; I568-L603 HydrophobicContact CG2-CD2 3.43Å; I568-L603 VanDerWaalsContact CG2-CD2 3.43Å
569P86.3Confident88.4Confident39 Ų3954.8 Ų54.825%0.25332%0.322SS..  trans-60.4137.7178.4-28.239.2000113.7G567 D571 Q572 Q573G567-P569 WeakPolarHBondContact O-CD 3.49Å; P569-D571 VanDerWaalsContact C-N 3.26Å; P569-D571 WeakPolarHBondContact CB-OD1 3.27Å; P569-D571 PolarHBondContact O-N 3.26Å; P569-D571 VanDerWaalsContact O-N 3.17Å; P569-Q572 HydrophobicContact CB-CG 4.39Å; P569-Q572 WeakPolarHBondContact O-CB 3.48Å; P569-Q572 PolarHBondContact O-N 2.88Å; P569-Q573 WeakPolarHBondContact O-CG 3.46Å; P569-Q573 PolarHBondContact O-N 2.87Å
570P87.4Confident88.2Confident35 Ų3561.4 Ų61.423%0.22735%0.351CS..G310 helixtrans-55.1-32-176.1-31.636.5000115.6K559 Q563 Q572 Q573K559-P570 HydrophobicContact CB-CB 3.92Å; K559-P570 HydrophobicContact CB-CG 4.37Å; K559-P570 HydrophobicContact CD-CB 4.25Å; K559-P570 PolarHBondContact NZ-O 2.79Å; Q563-P570 HydrophobicContact CB-CG 4.44Å; Q563-P570 VanDerWaalsContact CD-CD 3.47Å; P570-Q572 VanDerWaalsContact C-N 3.25Å; P570-Q572 PolarHBondContact O-N 2.85Å; P570-Q573 PolarHBondContact O-N 2.93Å; P570-Q573 VanDerWaalsContact O-N 3.17Å
571D84.9Confident88.4Confident108 Ų10863.3 Ų63.358%0.57835%0.353SS*.G310 helixtrans-66.4-27.4176.563.2-43.8000112.6P569 R604P569-D571 VanDerWaalsContact C-N 3.26Å; P569-D571 WeakPolarHBondContact CB-OD1 3.27Å; P569-D571 PolarHBondContact O-N 3.26Å; P569-D571 VanDerWaalsContact O-N 3.17Å; D571-R604 PolarHBondContact O-NH1 2.76Å
572Q88.2Confident88.8Confident50 Ų5061.3 Ų61.323%0.23434%0.344CS..G310 helixtrans-86.9-12.3175.2-61.6177.914.200112.9I568 P569 P570 L603 R604I568-Q572 HydrophobicContact CG2-CB 4.38Å; P569-Q572 HydrophobicContact CB-CG 4.39Å; P569-Q572 WeakPolarHBondContact O-CB 3.48Å; P569-Q572 PolarHBondContact O-N 2.88Å; P570-Q572 VanDerWaalsContact C-N 3.25Å; P570-Q572 PolarHBondContact O-N 2.85Å; Q572-L603 WeakPolarHBondContact O-CA 3.35Å; Q572-R604 PolarHBondContact O-N 2.76Å
573Q91.4Very high88.9Confident0 Ų066.3 Ų66.30%037%0.368CS..EExtended strand (participates in β ladder)trans-88.3129.2-177.9-61.4-179.437.800111.8K559 I562 I568 P569 P570 L601K559-Q573 HydrophobicContact CD-CB 4.26Å; K559-Q573 VanDerWaalsContact CE-O 3.22Å; K559-Q573 WeakPolarHBondContact CE-O 3.14Å; K559-Q573 HydrophobicContact CG-CB 4.05Å; K559-Q573 PolarHBondContact NZ-O 3.27Å; K559-Q573 PolarHBondContact O-NE2 3.4Å; K559-Q573 PolarHBondContact O-OE1 3.44Å; I562-Q573 VanDerWaalsContact CB-OE1 3.31Å; I562-Q573 VanDerWaalsContact CD1-OE1 3.31Å; I568-Q573 HydrophobicContact CB-CG 4.28Å; I568-Q573 HydrophobicContact CG2-CG 3.55Å; I568-Q573 PolarHBondContact O-NE2 2.69Å; P569-Q573 WeakPolarHBondContact O-CG 3.46Å; P569-Q573 PolarHBondContact O-N 2.87Å; P570-Q573 PolarHBondContact O-N 2.93Å; P570-Q573 VanDerWaalsContact O-N 3.17Å; Q573-L601 HydrophobicContact CB-CD1 3.74Å; Q573-L601 HydrophobicContact CG-CD1 3.95Å
574R90.8Very high88.8Confident99 Ų9965.8 Ų65.837%0.37437%0.367SS..EExtended strand (participates in β ladder)trans-120.8108.9167.9-173.6-175.4-134.2175.92.9109.4Q581 V602R574-Q581 HydrophobicContact CG-CG 4.07Å; R574-V602 WeakPolarHBondContact CA-O 3.44Å; R574-V602 HydrophobicContact CB-CB 4.2Å; R574-V602 VanDerWaalsContact CB-O 3.24Å; R574-V602 WeakPolarHBondContact CB-O 3.26Å; R574-V602 PolarHBondContact N-O 2.93Å; R574-V602 PolarHBondContact O-N 2.81Å
575L93.8Very high89.1Confident1 Ų162.9 Ų62.91%0.00537%0.369CS..EExtended strand (participates in β ladder)trans-92.9137.2178.1-65.3176.2000111V537 I555 V558 K559 I562 L582 L599 H600 L601V537-L575 HydrophobicContact CG1-CD2 4.02Å; I555-L575 HydrophobicContact CG2-CD1 4.22Å; V558-L575 HydrophobicContact CB-CD1 4.29Å; V558-L575 HydrophobicContact CG1-CD1 3.74Å; K559-L575 HydrophobicContact CG-CD1 3.96Å; I562-L575 HydrophobicContact CD1-CD1 3.94Å; I562-L575 HydrophobicContact CD1-CD2 3.66Å; I562-L575 HydrophobicContact CD1-CG 4.3Å; L575-L582 HydrophobicContact CB-CB 4.18Å; L575-L582 HydrophobicContact CB-CD1 3.96Å; L575-L582 HydrophobicContact CB-CG 4.3Å; L575-L582 PolarHBondContact O-N 2.91Å; L575-L599 HydrophobicContact CD1-CD2 4.37Å; L575-H600 CarbonylContact C-O 3.54Å; L575-H600 WeakPolarHBondContact CA-O 3.46Å; L575-L601 HydrophobicContact CD2-CB 4.04Å; L575-L601 HydrophobicContact CD2-CD1 3.79Å
576I93.5Very high89.4Confident43 Ų4362.6 Ų62.622%0.22137%0.365CS..EExtended strand (participates in β ladder)trans-130.7132.7-179.1-57.1173.8000108.8K580 H600 V602I576-K580 CarbonylContact C-O 3.58Å; I576-K580 VanDerWaalsContact CA-O 3.28Å; I576-K580 WeakPolarHBondContact CA-O 3.02Å; I576-K580 WeakPolarHBondContact CG2-O 3.43Å; I576-H600 HydrophobicContact CB-CB 4.32Å; I576-H600 PolarHBondContact N-O 3.38Å; I576-H600 PolarHBondContact O-N 2.9Å; I576-V602 HydrophobicContact CD1-CG2 3.86Å
577F95Very high89.6Confident44 Ų4460.8 Ų60.819%0.19336%0.358CS..EExtended strand (participates in β ladder)trans-135.4135.7172.6-179.2-111.3000109.4G579 K580 L582 I593 T598 L599F577-G579 PolarHBondContact O-N 2.86Å; F577-G579 VanDerWaalsContact O-N 3.09Å; F577-K580 PolarHBondContact N-O 3.04Å; F577-K580 PolarHBondContact O-N 3.13Å; F577-L582 HydrophobicContact CB-CD1 4.1Å; F577-L582 HydrophobicContact CB-CD2 3.97Å; F577-L582 HydrophobicContact CB-CG 4.31Å; F577-I593 HydrophobicContact CB-CD1 4.21Å; F577-I593 HydrophobicContact CD1-CD1 4.01Å; F577-I593 HydrophobicContact CD1-CG1 3.5Å; F577-I593 HydrophobicContact CD2-CG1 4.3Å; F577-I593 HydrophobicContact CE1-CG1 3.58Å; F577-I593 HydrophobicContact CE2-CG1 4.37Å; F577-I593 HydrophobicContact CG-CD1 4.04Å; F577-I593 HydrophobicContact CG-CG1 3.88Å; F577-I593 HydrophobicContact CZ-CG1 4.03Å; F577-T598 WeakPolarHBondContact CD2-O 3.45Å; F577-L599 HydrophobicContact CB-CG 4.36Å; F577-L599 HydrophobicContact CD2-CD1 4.28Å; F577-L599 HydrophobicContact CD2-CG 4.48Å
578A89.1Confident89.8Confident91 Ų9158 Ų5875%0.75233%0.33SS*.THydrogen-bonded Turntrans47.938.9-177.600000114.1K580A578-K580 VanDerWaalsContact C-N 3.25Å; A578-K580 PolarHBondContact O-N 3.34Å
579G86.9Confident90Very high75 Ų7559.8 Ų59.877%0.77335%0.345SS*.THydrogen-bonded Turntrans76.9-1.8-179.600000115.8F577F577-G579 PolarHBondContact O-N 2.86Å; F577-G579 VanDerWaalsContact O-N 3.09Å
580K90.8Very high90.2Very high146 Ų14662.5 Ų62.564%0.63536%0.357SS*.EExtended strand (participates in β ladder)trans-103.4137.8177.8-66.6-176-179.4178.70111.2I576 F577 A578I576-K580 CarbonylContact C-O 3.58Å; I576-K580 VanDerWaalsContact CA-O 3.28Å; I576-K580 WeakPolarHBondContact CA-O 3.02Å; I576-K580 WeakPolarHBondContact CG2-O 3.43Å; F577-K580 PolarHBondContact N-O 3.04Å; F577-K580 PolarHBondContact O-N 3.13Å; A578-K580 VanDerWaalsContact C-N 3.25Å; A578-K580 PolarHBondContact O-N 3.34Å
581Q91.6Very high90.4Very high78 Ų7862.6 Ų62.636%0.36435%0.353SS..EExtended strand (participates in β ladder)trans-69.5134.9169-177.4-179.4-2900109.4R574R574-Q581 HydrophobicContact CG-CG 4.07Å
582L94.5Very high90.6Very high2 Ų262.8 Ų62.81%0.0135%0.354CS..PPolyproline II helixtrans-84.8137.1177.2-56.4-174.1000110.3I555 L575 F577 Y591 I593 L599I555-L582 HydrophobicContact CB-CB 4.46Å; I555-L582 HydrophobicContact CD1-CB 3.83Å; I555-L582 HydrophobicContact CD1-CD1 3.63Å; I555-L582 HydrophobicContact CD1-CG 4.23Å; I555-L582 HydrophobicContact CG1-CB 3.84Å; I555-L582 HydrophobicContact CG2-CB 3.79Å; L575-L582 HydrophobicContact CB-CB 4.18Å; L575-L582 HydrophobicContact CB-CD1 3.96Å; L575-L582 HydrophobicContact CB-CG 4.3Å; L575-L582 PolarHBondContact O-N 2.91Å; F577-L582 HydrophobicContact CB-CD1 4.1Å; F577-L582 HydrophobicContact CB-CD2 3.97Å; F577-L582 HydrophobicContact CB-CG 4.31Å; L582-Y591 HydrophobicContact CB-CE2 4.28Å; L582-Y591 HydrophobicContact CD2-CD1 3.57Å; L582-Y591 HydrophobicContact CD2-CD2 3.65Å; L582-Y591 HydrophobicContact CD2-CE1 3.66Å; L582-Y591 HydrophobicContact CD2-CE2 3.7Å; L582-Y591 HydrophobicContact CD2-CG 3.56Å; L582-I593 HydrophobicContact CD1-CD1 3.95Å; L582-L599 HydrophobicContact CD1-CD2 3.55Å; L582-L599 HydrophobicContact CD1-CG 4.11Å
583E91.6Very high90.7Very high104 Ų10460.6 Ų60.649%0.48634%0.344SS..PPolyproline II helixtrans-100.5133.4-177.9-66.4172.5178.900110.3I555 G585 R586 Y591I555-E583 VanDerWaalsContact CB-O 3.28Å; I555-E583 WeakPolarHBondContact CB-O 3.41Å; I555-E583 VanDerWaalsContact CG1-O 3.27Å; I555-E583 WeakPolarHBondContact CG1-O 3.32Å; E583-G585 VanDerWaalsContact C-N 3.26Å; E583-G585 PolarHBondContact O-N 2.9Å; E583-G585 VanDerWaalsContact O-N 3.14Å; E583-R586 HydrophobicContact CB-CG 4.34Å; E583-R586 PolarHBondContact O-N 3.25Å; E583-R586 IonicContact OE2-CZ 2.63Å; E583-R586 IonicContact OE2-NE 2.67Å; E583-R586 PolarHBondContact OE2-NE 3.11Å; E583-R586 IonicContact OE2-NH2 2.74Å; E583-R586 PolarHBondContact OE2-NH2 3.24Å; E583-R586 VanDerWaalsContact OE2-NH2 3.17Å; E583-Y591 WeakPolarHBondContact CB-OH 3.43Å; E583-Y591 PolarHBondContact N-OH 2.68Å
584D88.7Confident90.7Very high65 Ų6566.1 Ų66.135%0.34837%0.37SS..THydrogen-bonded Turntrans-55.3-36.7-170.2-68.3-9.8000113.8I555 E556 K559 R586I555-D584 PolarHBondContact N-O 3.24Å; E556-D584 HydrophobicContact CB-CB 4.18Å; E556-D584 PolarHBondContact N-O 3.35Å; E556-D584 VanDerWaalsContact N-O 3.13Å; K559-D584 WeakPolarHBondContact CD-OD1 3.49Å; K559-D584 WeakPolarHBondContact CE-OD1 3.27Å; K559-D584 IonicContact NZ-OD1 2.65Å; K559-D584 PolarHBondContact NZ-OD1 3.06Å; K559-D584 IonicContact NZ-OD2 2.7Å; K559-D584 PolarHBondContact NZ-OD2 2.72Å; D584-R586 PolarHBondContact O-N 3.23Å
585G86.2Confident90.5Very high73 Ų7367.3 Ų67.375%0.75338%0.378SS*.THydrogen-bonded Turntrans-82.9-0.9-178.800000116.1E583E583-G585 VanDerWaalsContact C-N 3.26Å; E583-G585 PolarHBondContact O-N 2.9Å; E583-G585 VanDerWaalsContact O-N 3.14Å
586R90.1Very high90.2Very high112 Ų11273.3 Ų73.342%0.42341%0.406SS..SBendtrans-98.6157.1175.7-66.5-161.8-159.3-152.4-2.7111T554 I555 E583 D584 D590 Y591T554-R586 CarbonylContact C-O 3.5Å; T554-R586 VanDerWaalsContact CA-O 3.24Å; T554-R586 WeakPolarHBondContact CA-O 3.38Å; I555-R586 WeakPolarHBondContact CG1-O 3.49Å; I555-R586 PolarHBondContact N-O 3.01Å; E583-R586 HydrophobicContact CB-CG 4.34Å; E583-R586 PolarHBondContact O-N 3.25Å; E583-R586 IonicContact OE2-CZ 2.63Å; E583-R586 IonicContact OE2-NE 2.67Å; E583-R586 PolarHBondContact OE2-NE 3.11Å; E583-R586 IonicContact OE2-NH2 2.74Å; E583-R586 PolarHBondContact OE2-NH2 3.24Å; E583-R586 VanDerWaalsContact OE2-NH2 3.17Å; D584-R586 PolarHBondContact O-N 3.23Å; R586-D590 HydrophobicContact CB-CB 4.24Å; R586-Y591 HydrophobicContact CB-CD2 4.31Å; R586-Y591 HydrophobicContact CB-CE2 3.53Å; R586-Y591 WeakPolarHBondContact CD-OH 3.39Å; R586-Y591 HydrophobicContact CG-CE2 4.3Å
587T90.4Very high90.3Very high28 Ų2872.2 Ų72.217%0.17240%0.402CS..BIsolated β-bridgetrans-90.5164176.867.90000112.2S552 D553 T554 S589 D590 Y591S552-T587 VanDerWaalsContact O-CG2 3.3Å; S552-T587 WeakPolarHBondContact O-CG2 3.41Å; D553-T587 CarbonylContact O-C 3.56Å; D553-T587 VanDerWaalsContact O-CA 3.24Å; D553-T587 WeakPolarHBondContact O-CA 3.23Å; T554-T587 HydrophobicContact CG2-CG2 4.38Å; T587-S589 PolarHBondContact O-N 3.1Å; T587-S589 PolarHBondContact OG1-N 3.23Å; T587-S589 PolarHBondContact OG1-OG 3.08Å; T587-D590 PolarHBondContact N-OD2 3.49Å; T587-D590 WeakPolarHBondContact O-CB 3.29Å; T587-D590 PolarHBondContact O-N 2.88Å; T587-D590 PolarHBondContact OG1-N 2.89Å; T587-D590 PolarHBondContact OG1-OD2 2.9Å; T587-Y591 WeakPolarHBondContact O-CD2 3.34Å
588L89.6Confident90.2Very high0 Ų072.3 Ų72.30%041%0.406CS..THydrogen-bonded Turntrans-58.6-36.6170.6-70.9-178.4000112.1M533 I535 V549 P551 D553 I555 V558 D590 Y591 N592 I593M533-L588 HydrophobicContact CE-CD1 4.44Å; I535-L588 HydrophobicContact CD1-CD1 4.19Å; I535-L588 HydrophobicContact CD1-CD2 4.45Å; V549-L588 HydrophobicContact CB-CD1 3.56Å; V549-L588 HydrophobicContact CG1-CD1 4.06Å; V549-L588 HydrophobicContact CG2-CD1 3.41Å; V549-L588 VanDerWaalsContact CG2-CD1 3.41Å; P551-L588 PolarHBondContact O-N 3.22Å; D553-L588 HydrophobicContact CB-CD1 4.29Å; D553-L588 PolarHBondContact O-N 3.5Å; I555-L588 HydrophobicContact CD1-CD2 3.9Å; V558-L588 HydrophobicContact CG2-CD1 3.99Å; V558-L588 HydrophobicContact CG2-CD2 3.93Å; V558-L588 HydrophobicContact CG2-CG 4.01Å; L588-D590 VanDerWaalsContact C-N 3.34Å; L588-D590 PolarHBondContact O-N 3.08Å; L588-Y591 CarbonylContact O-C 3.55Å; L588-Y591 PolarHBondContact O-N 3.07Å; L588-N592 PolarHBondContact O-N 3.33Å; L588-I593 HydrophobicContact CB-CB 4.2Å; L588-I593 HydrophobicContact CD2-CB 4.13Å; L588-I593 HydrophobicContact CD2-CD1 3.47Å; L588-I593 VanDerWaalsContact CD2-CD1 3.47Å; L588-I593 HydrophobicContact CD2-CG1 4.37Å; L588-I593 HydrophobicContact CD2-CG2 4.09Å; L588-I593 PolarHBondContact O-N 3.29Å
589S88.8Confident90.5Very high63 Ų6368 Ų6844%0.44137%0.37SS..G310 helixtrans-64.9-34.7177.373.60000113P551 T587 Y591 N592P551-S589 VanDerWaalsContact O-CB 3.25Å; P551-S589 WeakPolarHBondContact O-CB 3.18Å; P551-S589 PolarHBondContact O-N 3.08Å; P551-S589 PolarHBondContact O-OG 3.01Å; T587-S589 PolarHBondContact O-N 3.1Å; T587-S589 PolarHBondContact OG1-N 3.23Å; T587-S589 PolarHBondContact OG1-OG 3.08Å; S589-Y591 PolarHBondContact O-N 3.16Å; S589-N592 WeakPolarHBondContact O-CA 3.29Å; S589-N592 PolarHBondContact O-N 3.14Å
590D91.2Very high90.8Very high96 Ų9669 Ų6951%0.51336%0.355SS..G310 helixtrans-62.4-28.7175.8-66.1-46.6000112.4R586 T587 L588R586-D590 HydrophobicContact CB-CB 4.24Å; T587-D590 PolarHBondContact N-OD2 3.49Å; T587-D590 WeakPolarHBondContact O-CB 3.29Å; T587-D590 PolarHBondContact O-N 2.88Å; T587-D590 PolarHBondContact OG1-N 2.89Å; T587-D590 PolarHBondContact OG1-OD2 2.9Å; L588-D590 VanDerWaalsContact C-N 3.34Å; L588-D590 PolarHBondContact O-N 3.08Å
591Y90.8Very high90.9Very high36 Ų3662.2 Ų62.214%0.14133%0.326CS..G310 helixtrans-95.84.9175-67-74.7000113.4I555 L582 E583 R586 T587 L588 S589 I593I555-Y591 HydrophobicContact CD1-CD2 4.25Å; I555-Y591 HydrophobicContact CD1-CE2 4.29Å; I555-Y591 HydrophobicContact CG1-CD2 4.41Å; I555-Y591 HydrophobicContact CG1-CE2 3.99Å; L582-Y591 HydrophobicContact CB-CE2 4.28Å; L582-Y591 HydrophobicContact CD2-CD1 3.57Å; L582-Y591 HydrophobicContact CD2-CD2 3.65Å; L582-Y591 HydrophobicContact CD2-CE1 3.66Å; L582-Y591 HydrophobicContact CD2-CE2 3.7Å; L582-Y591 HydrophobicContact CD2-CG 3.56Å; E583-Y591 WeakPolarHBondContact CB-OH 3.43Å; E583-Y591 PolarHBondContact N-OH 2.68Å; R586-Y591 HydrophobicContact CB-CD2 4.31Å; R586-Y591 HydrophobicContact CB-CE2 3.53Å; R586-Y591 WeakPolarHBondContact CD-OH 3.39Å; R586-Y591 HydrophobicContact CG-CE2 4.3Å; T587-Y591 WeakPolarHBondContact O-CD2 3.34Å; L588-Y591 CarbonylContact O-C 3.55Å; L588-Y591 PolarHBondContact O-N 3.07Å; S589-Y591 PolarHBondContact O-N 3.16Å; Y591-I593 PolarHBondContact O-N 2.96Å
592N89.9Confident90.8Very high113 Ų11360.3 Ų60.360%0.60432%0.319SS*.THydrogen-bonded Turntrans52.137.3-176.3-154.111.6000112.5L588 S589 Q594L588-N592 PolarHBondContact O-N 3.33Å; S589-N592 WeakPolarHBondContact O-CA 3.29Å; S589-N592 PolarHBondContact O-N 3.14Å; N592-Q594 PolarHBondContact O-N 3.41Å; N592-Q594 PolarHBondContact OD1-NE2 3.46Å; N592-Q594 VanDerWaalsContact OD1-NE2 3.08Å
593I91.4Very high90.3Very high4 Ų464.5 Ų64.52%0.02134%0.341CS..  trans-74.9122.6176.1-66.7168.7000107.2M533 I535 F577 L582 L588 Y591 L599M533-I593 HydrophobicContact CE-CG2 4.21Å; M533-I593 WeakPolarHBondContact CE-O 3.47Å; I535-I593 HydrophobicContact CG2-CG2 3.97Å; F577-I593 HydrophobicContact CB-CD1 4.21Å; F577-I593 HydrophobicContact CD1-CD1 4.01Å; F577-I593 HydrophobicContact CD1-CG1 3.5Å; F577-I593 HydrophobicContact CD2-CG1 4.3Å; F577-I593 HydrophobicContact CE1-CG1 3.58Å; F577-I593 HydrophobicContact CE2-CG1 4.37Å; F577-I593 HydrophobicContact CG-CD1 4.04Å; F577-I593 HydrophobicContact CG-CG1 3.88Å; F577-I593 HydrophobicContact CZ-CG1 4.03Å; L582-I593 HydrophobicContact CD1-CD1 3.95Å; L588-I593 HydrophobicContact CB-CB 4.2Å; L588-I593 HydrophobicContact CD2-CB 4.13Å; L588-I593 HydrophobicContact CD2-CD1 3.47Å; L588-I593 VanDerWaalsContact CD2-CD1 3.47Å; L588-I593 HydrophobicContact CD2-CG1 4.37Å; L588-I593 HydrophobicContact CD2-CG2 4.09Å; L588-I593 PolarHBondContact O-N 3.29Å; Y591-I593 PolarHBondContact O-N 2.96Å; I593-L599 HydrophobicContact CD1-CD1 4.23Å; I593-L599 HydrophobicContact CD1-CD2 4.33Å; I593-L599 HydrophobicContact CD1-CG 4.38Å; I593-L599 HydrophobicContact CG2-CD1 4Å
594Q89.5Confident89.7Confident115 Ų11565.1 Ų65.154%0.53734%0.339SS..  trans-105.3167.7-175.9-65.1-71.7-25.300111M533 N592 E596 S597M533-Q594 VanDerWaalsContact CE-C 3.48Å; N592-Q594 PolarHBondContact O-N 3.41Å; N592-Q594 PolarHBondContact OD1-NE2 3.46Å; N592-Q594 VanDerWaalsContact OD1-NE2 3.08Å; Q594-E596 PolarHBondContact O-N 3.16Å; Q594-S597 PolarHBondContact N-OG 3.37Å; Q594-S597 WeakPolarHBondContact O-CB 3.46Å; Q594-S597 PolarHBondContact O-N 3.22Å; Q594-S597 PolarHBondContact O-OG 3.5Å
595K87.6Confident88.5Confident125 Ų12570 Ų7054%0.54336%0.364SS..THydrogen-bonded Turntrans-50.2140.3169.9-177.4173.91761750110.3M533 S597M533-K595 HydrophobicContact CG-CB 4.07Å; K595-S597 PolarHBondContact O-N 2.83Å
596E88.1Confident86.8Confident127 Ų12776.8 Ų76.859%0.59337%0.367SS*.THydrogen-bonded Turntrans64.88.1-175.7-66.7167.5-161.900115.5Q534 F536 Q594Q534-E596 WeakPolarHBondContact O-CA 3.41Å; Q534-E596 PolarHBondContact O-N 3.26Å; F536-E596 WeakPolarHBondContact CD2-O 3.1Å; F536-E596 HydrophobicContact CE2-CB 3.92Å; F536-E596 HydrophobicContact CE2-CG 3.99Å; Q594-E596 PolarHBondContact O-N 3.16Å
597S94.1Very high84.5Confident20 Ų2074.8 Ų74.814%0.1438%0.381CS..  trans-61.7147.2172.3-66.10000111.6F536 Q594 K595F536-S597 PolarHBondContact N-O 3.22Å; Q594-S597 PolarHBondContact N-OG 3.37Å; Q594-S597 WeakPolarHBondContact O-CB 3.46Å; Q594-S597 PolarHBondContact O-N 3.22Å; Q594-S597 PolarHBondContact O-OG 3.5Å; K595-S597 PolarHBondContact O-N 2.83Å
598T93.7Very high82Confident46 Ų4677.2 Ų77.228%0.28241%0.411SS..EExtended strand (participates in β ladder)trans-110.7119.8177.2-58.20000111F536 K538 F577F536-T598 HydrophobicContact CB-CG2 4.35Å; F536-T598 CarbonylContact O-C 3.52Å; F536-T598 VanDerWaalsContact O-CA 3.26Å; F536-T598 WeakPolarHBondContact O-CA 3.2Å; K538-T598 HydrophobicContact CB-CG2 4.21Å; K538-T598 HydrophobicContact CD-CG2 3.73Å; K538-T598 HydrophobicContact CG-CG2 3.69Å; F577-T598 WeakPolarHBondContact CD2-O 3.45Å
599L95.2Very high79.4Confident0 Ų088.7 Ų88.70%047%0.47CS..EExtended strand (participates in β ladder)trans-95154.3169.9-71.263.9000109.3I535 F536 V537 K538 V558 L575 F577 L582 I593I535-L599 HydrophobicContact CB-CD1 4.47Å; I535-L599 HydrophobicContact CD1-CD1 3.96Å; I535-L599 HydrophobicContact CD1-CD2 4.21Å; F536-L599 PolarHBondContact O-N 3.39Å; V537-L599 CarbonylContact C-O 3.58Å; V537-L599 WeakPolarHBondContact CA-O 3.42Å; V537-L599 HydrophobicContact CG2-CB 4.33Å; K538-L599 PolarHBondContact N-O 2.87Å; V558-L599 HydrophobicContact CG1-CD2 4.49Å; L575-L599 HydrophobicContact CD1-CD2 4.37Å; F577-L599 HydrophobicContact CB-CG 4.36Å; F577-L599 HydrophobicContact CD2-CD1 4.28Å; F577-L599 HydrophobicContact CD2-CG 4.48Å; L582-L599 HydrophobicContact CD1-CD2 3.55Å; L582-L599 HydrophobicContact CD1-CG 4.11Å; I593-L599 HydrophobicContact CD1-CD1 4.23Å; I593-L599 HydrophobicContact CD1-CD2 4.33Å; I593-L599 HydrophobicContact CD1-CG 4.38Å; I593-L599 HydrophobicContact CG2-CD1 4Å
600H93.9Very high78.9Confident96 Ų9690 Ų9044%0.44447%0.472SS..EExtended strand (participates in β ladder)trans-107.5125.2173.9-67.4-80.4000110.4K538 L575 I576K538-H600 CarbonylContact O-C 3.6Å; K538-H600 WeakPolarHBondContact O-CA 3.49Å; L575-H600 CarbonylContact C-O 3.54Å; L575-H600 WeakPolarHBondContact CA-O 3.46Å; I576-H600 HydrophobicContact CB-CB 4.32Å; I576-H600 PolarHBondContact N-O 3.38Å; I576-H600 PolarHBondContact O-N 2.9Å
601L93Very high78.3Confident4 Ų489.6 Ų89.62%0.02147%0.47CS..EExtended strand (participates in β ladder)trans-96.6116.8174.8176.864.1000110.3V537 K538 T539 I562 I568 Q573 L575V537-L601 HydrophobicContact CG1-CB 3.55Å; V537-L601 HydrophobicContact CG1-CD2 4.44Å; K538-L601 PolarHBondContact O-N 2.88Å; T539-L601 HydrophobicContact CG2-CD2 4.38Å; I562-L601 HydrophobicContact CG2-CD2 3.84Å; I568-L601 HydrophobicContact CD1-CD2 3.83Å; Q573-L601 HydrophobicContact CB-CD1 3.74Å; Q573-L601 HydrophobicContact CG-CD1 3.95Å; L575-L601 HydrophobicContact CD2-CB 4.04Å; L575-L601 HydrophobicContact CD2-CD1 3.79Å
602V88.9Confident77.6Confident37 Ų3792.6 Ų92.622%0.22449%0.488CS..EExtended strand (participates in β ladder)trans-108.3126.4171.7178.40000107.8L540 R574 I576L540-V602 HydrophobicContact CD1-CG1 4.27Å; L540-V602 HydrophobicContact CD2-CG2 4.31Å; R574-V602 WeakPolarHBondContact CA-O 3.44Å; R574-V602 HydrophobicContact CB-CB 4.2Å; R574-V602 VanDerWaalsContact CB-O 3.24Å; R574-V602 WeakPolarHBondContact CB-O 3.26Å; R574-V602 PolarHBondContact N-O 2.93Å; R574-V602 PolarHBondContact O-N 2.81Å; I576-V602 HydrophobicContact CD1-CG2 3.86Å
603L84.7Confident76.8Confident90 Ų9091.4 Ų91.447%0.47148%0.481SS..EExtended strand (participates in β ladder)trans-79.8132.1174.2-64.9177.8000109.6I568 Q572 L605I568-L603 HydrophobicContact CD1-CD2 4.09Å; I568-L603 HydrophobicContact CG1-CD2 4.39Å; I568-L603 HydrophobicContact CG2-CD2 3.43Å; I568-L603 VanDerWaalsContact CG2-CD2 3.43Å; Q572-L603 WeakPolarHBondContact O-CA 3.35Å; L603-L605 PolarHBondContact O-N 2.82Å
604R77.1Confident75.9Confident118 Ų11896.9 Ų96.945%0.44551%0.51SS..PPolyproline II helixtrans-71.8118.3164.3-74.6179.2169.3152.1-6.2108D571 Q572 R606D571-R604 PolarHBondContact O-NH1 2.76Å; Q572-R604 PolarHBondContact O-N 2.76Å; R604-R606 PolarHBondContact O-N 3.4Å
605L64.2Low75Confident168 Ų16895.7 Ų95.788%0.8851%0.508SS*.PPolyproline II helixtrans-60.4127.4166.4-74.1160.6000107.9L603 G607L603-L605 PolarHBondContact O-N 2.82Å; L605-G607 PolarHBondContact O-N 2.97Å
606R49.8Very low74.1Confident215 Ų21593.6 Ų93.681%0.81151%0.505SS*.SBendtrans-53.5123.4169.6-68.7-175-157.2178.86.8108R604R604-R606 PolarHBondContact O-N 3.4Å
607G42.4Very low73Confident69 Ų6991 Ų9171%0.71150%0.499SS*.  trans47.187159.800000116.1L605L605-G607 PolarHBondContact O-N 2.97Å
608G37.9Very low71.3Confident79 Ų7996.9 Ų96.981%0.81453%0.528SS*.  trans-70.3117.1135.100000106.5
609I34.6Very low69.3Low241 Ų241101.5 Ų101.5100%1.23655%0.551SS**  trans-560168.1-66.3169.5000109.5

Retrieved 609 of 609 residues in 556 ms (Link to these results)

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