A0A077Z356_TRITR Loading...

C2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z356, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 148 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M35.2Very low52.6Low234 Ų234109.8 Ų109.8100%1.15353%0.528SS*.  0105.80-65.9170.275.400107.3K3M1-K3 PolarHBondContact O-N 3.49Å
2H30.3Very low55.4Low197 Ų197105.6 Ų105.691%0.91251%0.51SS*.  trans-68.9111.8171-76.477.9000106.5E4H2-E4 PolarHBondContact O-N 2.88Å
3K34.2Very low57.8Low189 Ų18998 Ų9882%0.82247%0.473SS*.  trans-67.1106.7166.2-90.3-177.2175.5179.50105.6M1 Q5M1-K3 PolarHBondContact O-N 3.49Å; K3-Q5 PolarHBondContact O-N 3.31Å; K3-Q5 VanDerWaalsContact O-N 3.09Å
4E35.6Very low60Low174 Ų17495.3 Ų95.381%0.81347%0.465SS*.  trans-47.4117.5165.3-169.3160.2-169.300107.2H2 D6H2-E4 PolarHBondContact O-N 2.88Å; E4-D6 PolarHBondContact O-N 2.86Å
5Q43.9Very low61.7Low174 Ų17489.4 Ų89.481%0.81344%0.437SS*.  trans-66.2106.9175.3-79.1174.1-1100105.6K3 P7K3-Q5 PolarHBondContact O-N 3.31Å; K3-Q5 VanDerWaalsContact O-N 3.09Å; Q5-P7 VanDerWaalsContact O-N 3.15Å
6D48.5Very low63.3Low87 Ų8790.9 Ų90.947%0.46544%0.442SS..  trans-40.3125.2169.7-101.412.5000107.6E4 I8 K81E4-D6 PolarHBondContact O-N 2.86Å; D6-I8 PolarHBondContact O-N 2.92Å; D6-K81 IonicContact OD2-NZ 3.21Å; D6-K81 PolarHBondContact OD2-NZ 3.37Å
7P49.2Very low64.3Low32 Ų3291.3 Ų91.321%0.20844%0.443CS..  trans-54.9139.6-172.519.6-31.7000110.3Q5 N9 L79 K81Q5-P7 VanDerWaalsContact O-N 3.15Å; P7-N9 PolarHBondContact O-N 3.44Å; P7-L79 HydrophobicContact CB-CB 3.53Å; P7-L79 HydrophobicContact CB-CD1 3.7Å; P7-L79 HydrophobicContact CB-CG 4.27Å; P7-L79 HydrophobicContact CG-CB 3.95Å; P7-K81 HydrophobicContact CG-CG 4.2Å
8I59.9Low65.3Low71 Ų7191.2 Ų91.236%0.36445%0.449SS..  trans-70.774.5-168.7-51.1168000109.8D6 I10 S32D6-I8 PolarHBondContact O-N 2.92Å; I8-I10 HydrophobicContact CG2-CB 4.48Å; I8-I10 PolarHBondContact O-N 3.22Å; I8-S32 WeakPolarHBondContact CB-OG 3.49Å; I8-S32 WeakPolarHBondContact O-CB 3.16Å
9N76.6Confident66.3Low8 Ų888.1 Ų88.14%0.04343%0.433CS..  trans-88.635.3160.4-65.5-27.5000109.3P7 I55 L78 L79 A139 V140P7-N9 PolarHBondContact O-N 3.44Å; N9-I55 WeakPolarHBondContact O-CD1 3.39Å; N9-L78 HydrophobicContact CB-CD2 4.35Å; N9-L79 PolarHBondContact ND2-O 3.33Å; N9-L79 PolarHBondContact OD1-N 3.17Å; N9-A139 CarbonylContact O-C 3.52Å; N9-A139 VanDerWaalsContact O-CA 3.31Å; N9-A139 WeakPolarHBondContact O-CA 3.25Å; N9-V140 HydrophobicContact CB-CB 4.2Å; N9-V140 WeakPolarHBondContact CB-O 3.27Å; N9-V140 PolarHBondContact ND2-O 3.45Å; N9-V140 PolarHBondContact O-N 2.96Å
10I81.6Confident67Low39 Ų3984.1 Ų84.120%0.241%0.414CS..EExtended strand (participates in β ladder)trans-116.6130.6-174.4-61.8159.8000108.8I8 R30 V137 I138 A139 P146I8-I10 HydrophobicContact CG2-CB 4.48Å; I8-I10 PolarHBondContact O-N 3.22Å; I10-R30 WeakPolarHBondContact O-CD 3.31Å; I10-R30 PolarHBondContact O-NE 2.81Å; I10-R30 PolarHBondContact O-NH1 2.78Å; I10-V137 HydrophobicContact CG2-CG1 4.13Å; I10-I138 CarbonylContact C-O 3.57Å; I10-I138 WeakPolarHBondContact CA-O 3.42Å; I10-A139 HydrophobicContact CG1-CB 3.95Å; I10-P146 HydrophobicContact CD1-CB 3.79Å; I10-P146 HydrophobicContact CD1-CG 3.42Å; I10-P146 VanDerWaalsContact CD1-CG 3.42Å; I10-P146 HydrophobicContact CG1-CG 3.88Å; I10-P146 HydrophobicContact CG2-CG 4.02Å
11L83.6Confident67.6Low3 Ų383.5 Ų83.52%0.01641%0.413CS..EExtended strand (participates in β ladder)trans-112.6127.3168.1-175.9151.4000108.8F13 R30 I55 L57 I138L11-F13 HydrophobicContact CD2-CB 4.07Å; L11-R30 HydrophobicContact CB-CB 4.27Å; L11-R30 HydrophobicContact CD1-CB 3.62Å; L11-R30 HydrophobicContact CG-CB 3.92Å; L11-I55 HydrophobicContact CB-CD1 4.14Å; L11-I55 HydrophobicContact CD1-CB 4.2Å; L11-I55 HydrophobicContact CD1-CG2 4.24Å; L11-L57 HydrophobicContact CD1-CD2 3.34Å; L11-L57 HydrophobicContact CD2-CD2 4.01Å; L11-L57 HydrophobicContact CG-CD2 4.32Å; L11-I138 HydrophobicContact CB-CB 4.36Å; L11-I138 HydrophobicContact CD2-CD1 4.35Å; L11-I138 PolarHBondContact N-O 3.17Å; L11-I138 PolarHBondContact O-N 2.99Å
12L85.9Confident69.6Low59 Ų5977.6 Ų77.631%0.30938%0.382SS..EExtended strand (participates in β ladder)trans-106.1125.5169.3175.462.6000107.7Q135 V137 L148L12-Q135 HydrophobicContact CD1-CB 3.99Å; L12-Q135 HydrophobicContact CD1-CG 4.37Å; L12-V137 HydrophobicContact CD1-CG2 4Å; L12-L148 HydrophobicContact CD1-CD1 3.78Å; L12-L148 HydrophobicContact CD2-CD1 4.41Å; L12-L148 HydrophobicContact CD2-CD2 4.26Å
13F87.1Confident72Confident7 Ų773.1 Ų73.13%0.03137%0.365CS..EExtended strand (participates in β ladder)trans-116.5126.6169.4170.7-104.9000108.6L11 M15 H19 M28 I59 Q135 L136L11-F13 HydrophobicContact CD2-CB 4.07Å; F13-M15 HydrophobicContact CE1-CE 3.86Å; F13-M15 HydrophobicContact CE1-SD 3.88Å; F13-M15 HydrophobicContact CZ-SD 4.27Å; F13-H19 AromaticContact CE2-CE1 3.47Å; F13-H19 VanDerWaalsContact CE2-CE1 3.47Å; F13-H19 WeakPolarHBondContact CE2-CE1 3.32Å; F13-H19 AromaticContact CE2-ND1 3.7Å; F13-H19 AromaticContact CZ-CE1 3.6Å; F13-H19 AromaticContact CZ-CG 3.95Å; F13-H19 AromaticContact CZ-ND1 3.31Å; F13-H19 VanDerWaalsContact CZ-ND1 3.31Å; F13-H19 WeakPolarHBondContact CZ-ND1 3.44Å; F13-M28 HydrophobicContact CD2-CE 3.63Å; F13-M28 HydrophobicContact CD2-SD 3.16Å; F13-M28 WeakPolarHBondContact CD2-SD 3.46Å; F13-M28 HydrophobicContact CE2-CE 4.16Å; F13-M28 HydrophobicContact CE2-SD 3.41Å; F13-M28 WeakPolarHBondContact CE2-SD 3.45Å; F13-M28 HydrophobicContact CG-SD 4.07Å; F13-I59 HydrophobicContact CB-CD1 4.08Å; F13-I59 HydrophobicContact CD1-CD1 3.41Å; F13-I59 VanDerWaalsContact CD1-CD1 3.41Å; F13-I59 HydrophobicContact CD2-CD1 3.93Å; F13-I59 HydrophobicContact CE1-CD1 3.64Å; F13-I59 HydrophobicContact CE1-CG2 4.05Å; F13-I59 HydrophobicContact CE2-CD1 4.11Å; F13-I59 HydrophobicContact CG-CD1 3.52Å; F13-I59 HydrophobicContact CZ-CD1 3.95Å; F13-I59 HydrophobicContact CZ-CG2 4.34Å; F13-Q135 CarbonylContact O-C 3.51Å; F13-Q135 VanDerWaalsContact O-CA 3.29Å; F13-Q135 WeakPolarHBondContact O-CA 3.28Å; F13-L136 HydrophobicContact CB-CB 4.23Å; F13-L136 HydrophobicContact CD1-CB 4.14Å; F13-L136 PolarHBondContact N-O 3.26Å; F13-L136 PolarHBondContact O-N 3.44Å
14T88.5Confident74.4Confident60 Ų6071 Ų7137%0.36836%0.355SS..EExtended strand (participates in β ladder)trans-102.8131.6172.4-54.40000108.3Q135T14-Q135 HydrophobicContact CG2-CG 4.29Å
15M85.9Confident76.9Confident7 Ų766 Ų663%0.03434%0.338CS..  trans-62.4144.4174.7-158.260.667.700109.7F13 H19 L20 L68 P131 L134F13-M15 HydrophobicContact CE1-CE 3.86Å; F13-M15 HydrophobicContact CE1-SD 3.88Å; F13-M15 HydrophobicContact CZ-SD 4.27Å; M15-H19 HydrophobicContact SD-CB 3.79Å; M15-L20 HydrophobicContact CG-CD1 4.18Å; M15-L20 HydrophobicContact CG-CD2 3.72Å; M15-L20 HydrophobicContact CG-CG 3.92Å; M15-L20 HydrophobicContact SD-CD2 3.91Å; M15-L20 HydrophobicContact SD-CG 4.4Å; M15-L68 HydrophobicContact CE-CD1 3.51Å; M15-L68 HydrophobicContact CE-CD2 3.64Å; M15-L68 HydrophobicContact CE-CG 4.15Å; M15-P131 VanDerWaalsContact CB-O 3.25Å; M15-P131 WeakPolarHBondContact CB-O 3.43Å; M15-P131 WeakPolarHBondContact CG-O 3.45Å; M15-L134 HydrophobicContact CB-CB 3.96Å; M15-L134 WeakPolarHBondContact CB-O 3.39Å; M15-L134 PolarHBondContact N-O 3.37Å
16Q86.3Confident79Confident113 Ų11359.6 Ų59.653%0.52831%0.311SS..  trans-130.6153.1174.6-62.9-175.4-34.300107.3T18 H19Q16-T18 PolarHBondContact O-N 2.92Å; Q16-T18 VanDerWaalsContact O-N 3.14Å; Q16-H19 PolarHBondContact N-ND1 2.84Å; Q16-H19 WeakPolarHBondContact O-CB 3.47Å; Q16-H19 PolarHBondContact O-N 2.94Å
17Q81.5Confident80.9Confident98 Ų9864.2 Ų64.246%0.45832%0.323SS..Hα-helixtrans-53.1-38.7179.6-171.258.439.800112.3H19 L20 D21Q17-H19 PolarHBondContact O-N 3.14Å; Q17-L20 WeakPolarHBondContact O-CB 3.44Å; Q17-L20 PolarHBondContact O-N 3.26Å; Q17-D21 PolarHBondContact NE2-OD1 2.88Å; Q17-D21 VanDerWaalsContact O-CG 3.28Å; Q17-D21 PolarHBondContact O-N 2.93Å; Q17-D21 VanDerWaalsContact O-N 3.09Å
18T82Confident82.6Confident89 Ų8965.3 Ų65.355%0.54633%0.326SS..Hα-helixtrans-58.8-28.1176.2510000114.1Q16Q16-T18 PolarHBondContact O-N 2.92Å; Q16-T18 VanDerWaalsContact O-N 3.14Å
19H83.8Confident83.7Confident32 Ų3265.2 Ų65.215%0.14833%0.331CS..Hα-helixtrans-79.2-21.5175.6-56.5142.4000112.6F13 M15 Q16 Q17 F61F13-H19 AromaticContact CE2-CE1 3.47Å; F13-H19 VanDerWaalsContact CE2-CE1 3.47Å; F13-H19 WeakPolarHBondContact CE2-CE1 3.32Å; F13-H19 AromaticContact CE2-ND1 3.7Å; F13-H19 AromaticContact CZ-CE1 3.6Å; F13-H19 AromaticContact CZ-CG 3.95Å; F13-H19 AromaticContact CZ-ND1 3.31Å; F13-H19 VanDerWaalsContact CZ-ND1 3.31Å; F13-H19 WeakPolarHBondContact CZ-ND1 3.44Å; M15-H19 HydrophobicContact SD-CB 3.79Å; Q16-H19 PolarHBondContact N-ND1 2.84Å; Q16-H19 WeakPolarHBondContact O-CB 3.47Å; Q16-H19 PolarHBondContact O-N 2.94Å; Q17-H19 PolarHBondContact O-N 3.14Å; H19-F61 WeakPolarHBondContact O-CB 3.34Å
20L80.7Confident83.8Confident8 Ų869.6 Ų69.64%0.04235%0.347CS..Hα-helixtrans-92.6-25.9-177.4-59.5172.7000112.5M15 Q17 H22 F61 P131M15-L20 HydrophobicContact CG-CD1 4.18Å; M15-L20 HydrophobicContact CG-CD2 3.72Å; M15-L20 HydrophobicContact CG-CG 3.92Å; M15-L20 HydrophobicContact SD-CD2 3.91Å; M15-L20 HydrophobicContact SD-CG 4.4Å; Q17-L20 WeakPolarHBondContact O-CB 3.44Å; Q17-L20 PolarHBondContact O-N 3.26Å; L20-H22 VanDerWaalsContact C-N 3.32Å; L20-H22 PolarHBondContact O-N 3.09Å; L20-F61 HydrophobicContact CB-CD1 4.23Å; L20-F61 HydrophobicContact CB-CE1 4.49Å; L20-F61 HydrophobicContact CD2-CB 4.32Å; L20-F61 HydrophobicContact CD2-CD1 3.73Å; L20-F61 HydrophobicContact CD2-CD2 4.17Å; L20-F61 HydrophobicContact CD2-CE1 3.97Å; L20-F61 HydrophobicContact CD2-CE2 4.42Å; L20-F61 HydrophobicContact CD2-CG 3.81Å; L20-F61 HydrophobicContact CD2-CZ 4.31Å; L20-P131 HydrophobicContact CD1-CB 3.59Å; L20-P131 HydrophobicContact CD1-CG 3.41Å; L20-P131 VanDerWaalsContact CD1-CG 3.41Å; L20-P131 HydrophobicContact CD2-CB 4.17Å
21D80.1Confident83.5Confident73 Ų7374.6 Ų74.639%0.3937%0.368SS..SBendtrans-76.3-20.2-175.4-68.5-26.6000113.4Q17Q17-D21 PolarHBondContact NE2-OD1 2.88Å; Q17-D21 VanDerWaalsContact O-CG 3.28Å; Q17-D21 PolarHBondContact O-N 2.93Å; Q17-D21 VanDerWaalsContact O-N 3.09Å
22H76.2Confident83Confident109 Ų10975 Ų7551%0.50537%0.371SS..  trans-135.2138.9-176.4-60.1-52.4000111.7L20 K24L20-H22 VanDerWaalsContact C-N 3.32Å; L20-H22 PolarHBondContact O-N 3.09Å; H22-K24 HydrophobicContact CB-CB 4.13Å; H22-K24 HydrophobicContact CB-CD 4.16Å; H22-K24 HydrophobicContact CB-CG 3.99Å; H22-K24 PolarHBondContact O-N 3.18Å
23D80.2Confident81.8Confident104 Ų10476.5 Ų76.556%0.55639%0.386SS*.  trans-76.239.9170.3-160.110.7000111.3
24K84.8Confident80.2Confident144 Ų14478.1 Ų78.163%0.62640%0.397SS*.PPolyproline II helixtrans-96.8125.1-178-77.2-178.5-177.9178.80109.1H22 V26H22-K24 HydrophobicContact CB-CB 4.13Å; H22-K24 HydrophobicContact CB-CD 4.16Å; H22-K24 HydrophobicContact CB-CG 3.99Å; H22-K24 PolarHBondContact O-N 3.18Å; K24-V26 PolarHBondContact O-N 3.48Å
25P87.6Confident78.5Confident68 Ų6879.2 Ų79.244%0.44240%0.403SS..PPolyproline II helixtrans-63134.2173.5-21.332.2000112.2Y27 T58 I59P25-Y27 HydrophobicContact CB-CE2 4.45Å; P25-T58 HydrophobicContact CB-CG2 3.56Å; P25-I59 CarbonylContact C-O 3.59Å; P25-I59 WeakPolarHBondContact CA-O 3.29Å
26V88.2Confident76.5Confident40 Ų4081 Ų8124%0.24242%0.416CS..EExtended strand (participates in β ladder)trans-101.6118.6170.7-174.50000108.1K24 M28 T58 I59K24-V26 PolarHBondContact O-N 3.48Å; V26-M28 HydrophobicContact CG1-CG 3.73Å; V26-M28 HydrophobicContact CG1-SD 4.17Å; V26-T58 WeakPolarHBondContact O-CA 3.41Å; V26-I59 PolarHBondContact N-O 2.79Å; V26-I59 PolarHBondContact O-N 2.87Å
27Y88.9Confident74.6Confident184 Ų18485.7 Ų85.772%0.72243%0.429SS*.EExtended strand (participates in β ladder)trans-87.8129.3172.5-62.9-84.2000109.4P25 T58P25-Y27 HydrophobicContact CB-CE2 4.45Å; Y27-T58 HydrophobicContact CD1-CG2 4.15Å; Y27-T58 WeakPolarHBondContact CD1-OG1 3.39Å; Y27-T58 HydrophobicContact CE1-CG2 3.93Å; Y27-T58 WeakPolarHBondContact CE1-OG1 3.48Å
28M84.8Confident72.6Confident56 Ų5684.5 Ų84.528%0.27643%0.432SS..EExtended strand (participates in β ladder)trans-132.2144.6-175.3-60.2-166.170.700112F13 V26 L57 I59F13-M28 HydrophobicContact CD2-CE 3.63Å; F13-M28 HydrophobicContact CD2-SD 3.16Å; F13-M28 WeakPolarHBondContact CD2-SD 3.46Å; F13-M28 HydrophobicContact CE2-CE 4.16Å; F13-M28 HydrophobicContact CE2-SD 3.41Å; F13-M28 WeakPolarHBondContact CE2-SD 3.45Å; F13-M28 HydrophobicContact CG-SD 4.07Å; V26-M28 HydrophobicContact CG1-CG 3.73Å; V26-M28 HydrophobicContact CG1-SD 4.17Å; M28-L57 HydrophobicContact CB-CD2 3.95Å; M28-L57 HydrophobicContact CB-CG 4.3Å; M28-L57 PolarHBondContact N-O 2.8Å; M28-L57 PolarHBondContact O-N 2.99Å; M28-L57 VanDerWaalsContact O-N 3.16Å; M28-I59 HydrophobicContact SD-CD1 4.12Å
29S83.6Confident70.6Confident68 Ų6889.4 Ų89.448%0.47645%0.449SS..EExtended strand (participates in β ladder)trans-133.3139.516565.20000109.9I55S29-I55 VanDerWaalsContact CA-O 3.25Å; S29-I55 WeakPolarHBondContact CA-O 3.37Å
30R78.8Confident68.4Low101 Ų10195.9 Ų95.938%0.38148%0.479SS..EExtended strand (participates in β ladder)trans-116.2126.8165.9-174-179.9-177.3175.510.2108.9I10 L11 E54 I55I10-R30 WeakPolarHBondContact O-CD 3.31Å; I10-R30 PolarHBondContact O-NE 2.81Å; I10-R30 PolarHBondContact O-NH1 2.78Å; L11-R30 HydrophobicContact CB-CB 4.27Å; L11-R30 HydrophobicContact CD1-CB 3.62Å; L11-R30 HydrophobicContact CG-CB 3.92Å; R30-E54 VanDerWaalsContact O-CA 3.3Å; R30-E54 WeakPolarHBondContact O-CA 3.47Å; R30-I55 PolarHBondContact N-O 3.47Å; R30-I55 PolarHBondContact O-N 3.4Å
31K76.2Confident66.4Low144 Ų144101.3 Ų101.363%0.62651%0.513SS*.EExtended strand (participates in β ladder)trans-100.8130.4176.6-79.8-177.7-175.3178.10109.7T52 A53 E54K31-T52 HydrophobicContact CB-CG2 3.36Å; K31-T52 HydrophobicContact CD-CG2 4.05Å; K31-T52 HydrophobicContact CG-CG2 3.62Å; K31-A53 CarbonylContact C-O 3.57Å; K31-A53 VanDerWaalsContact CA-O 3.26Å; K31-A53 WeakPolarHBondContact CA-O 3.48Å; K31-E54 WeakPolarHBondContact CE-OE1 3.41Å; K31-E54 HydrophobicContact CG-CG 4.41Å
32S71.4Confident65Low12 Ų12107.7 Ų107.78%0.08454%0.54CS..EExtended strand (participates in β ladder)trans-124.1126.7169.8-1730000110.9I8 T52 A53I8-S32 WeakPolarHBondContact CB-OG 3.49Å; I8-S32 WeakPolarHBondContact O-CB 3.16Å; S32-T52 CarbonylContact O-C 3.55Å; S32-T52 VanDerWaalsContact O-CA 3.27Å; S32-T52 WeakPolarHBondContact O-CA 3.41Å; S32-A53 PolarHBondContact N-O 3.09Å; S32-A53 PolarHBondContact O-N 2.86Å
33S61.4Low63.8Low90 Ų90110.5 Ų110.563%0.62956%0.558SS**EExtended strand (participates in β ladder)trans-85150.5170.549.30000110.9
34T53.8Low62.3Low41 Ų41108.2 Ų108.225%0.25255%0.554SS.*  trans-110.9132.6167-67.70000109.2L79T34-L79 WeakPolarHBondContact OG1-CD1 3.44Å; T34-L79 WeakPolarHBondContact OG1-CD2 3.36Å
35V51.4Low60.4Low83 Ų83110.1 Ų110.150%0.50356%0.562SS.*  trans-98.4104.6160-177.50000106.4W37V35-W37 HydrophobicContact CG1-CD2 4.3Å; V35-W37 HydrophobicContact CG1-CZ2 3.94Å; V35-W37 PolarHBondContact O-N 3.03Å
36S45Very low58.4Low45 Ų45110.6 Ų110.632%0.31557%0.565SS.*  trans-78.6109.617465.90000109S38S36-S38 PolarHBondContact O-N 2.83Å
37W45.3Very low56.4Low210 Ų210116 Ų11680%0.79559%0.585SS**  trans-81.1101.2166.1-62.1105.5000107.6V35 Q39V35-W37 HydrophobicContact CG1-CD2 4.3Å; V35-W37 HydrophobicContact CG1-CZ2 3.94Å; V35-W37 PolarHBondContact O-N 3.03Å; W37-Q39 PolarHBondContact O-N 3.31Å
38S39.7Very low54.5Low74 Ų74112.4 Ų112.452%0.51758%0.578SS.*  trans-70.7116.1171.550.50000108.9S36 E40S36-S38 PolarHBondContact O-N 2.83Å; S38-E40 VanDerWaalsContact C-N 3.34Å; S38-E40 PolarHBondContact O-N 3.18Å; S38-E40 VanDerWaalsContact O-N 3.08Å
39Q40.5Very low53.1Low192 Ų192112.6 Ų112.690%0.89758%0.583SS**  trans-79.282.7173.3-163.6174.437.700108.7W37W37-Q39 PolarHBondContact O-N 3.31Å
40E38.1Very low52Low167 Ų167115.5 Ų115.578%0.7859%0.593SS**SBendtrans174.5129.3144.3-103.9169.8155.300112S38S38-E40 VanDerWaalsContact C-N 3.34Å; S38-E40 PolarHBondContact O-N 3.18Å; S38-E40 VanDerWaalsContact O-N 3.08Å
41T37.6Very low51.4Low122 Ų122113.3 Ų113.375%0.74859%0.591SS**  trans76.1119.3174.566.90000118.2L43 A44T41-L43 PolarHBondContact O-N 3.06Å; T41-A44 PolarHBondContact O-N 2.73Å
42E51.9Low51.5Low207 Ų207108.7 Ų108.797%0.96758%0.575SS**THydrogen-bonded Turntrans-6321.8-171.6-158.7170.2171.700116
43L51Low52.1Low168 Ų168108.3 Ų108.388%0.8857%0.573SS**THydrogen-bonded Turntrans-130.2-2.9-179.5-155.668.7000115.2T41 K45T41-L43 PolarHBondContact O-N 3.06Å; L43-K45 PolarHBondContact O-N 2.85Å
44A48.9Very low53.4Low57 Ų57105.3 Ų105.347%0.47155%0.548SS..  trans-85.1107174.200000110T41T41-A44 PolarHBondContact O-N 2.73Å
45K45.6Very low55.3Low184 Ų184103.7 Ų103.780%0.854%0.538SS*.  trans-42.8140.7160.4-71.3179.3179.2177.60108.5L43 K47L43-K45 PolarHBondContact O-N 2.85Å; K45-K47 PolarHBondContact O-N 2.84Å
46P43.6Very low57.3Low77 Ų77101.9 Ų101.950%0.553%0.525SS..  trans-49119.417521.4-32.2000107.6N48P46-N48 PolarHBondContact O-N 3.48Å
47K48Very low59.6Low154 Ų15499.8 Ų99.867%0.6751%0.511SS*.  trans-65.3101.8166.1-71.5-174.9-177.7177.40103.9K45 V49K45-K47 PolarHBondContact O-N 2.84Å; K47-V49 HydrophobicContact CB-CG2 4.36Å; K47-V49 PolarHBondContact O-N 3.05Å
48N48.3Very low62Low108 Ų10890.7 Ų90.758%0.57848%0.479SS*.  trans-65.590.8167.4-168.22.7000105.3P46 D50P46-N48 PolarHBondContact O-N 3.48Å; N48-D50 PolarHBondContact ND2-OD1 3.26Å; N48-D50 PolarHBondContact O-N 3.21Å; N48-D50 PolarHBondContact OD1-OD1 2.95Å
49V56.1Low64.5Low61 Ų6187.4 Ų87.437%0.3746%0.455SS..  trans-74.394.6167.6179.20000103K47 T51K47-V49 HydrophobicContact CB-CG2 4.36Å; K47-V49 PolarHBondContact O-N 3.05Å; V49-T51 WeakPolarHBondContact CG1-OG1 3.37Å; V49-T51 PolarHBondContact O-N 3.22Å
50D58.8Low67Low128 Ų12879 Ų7968%0.68442%0.417SS*.  trans-6528.7174.8-70.2-42000111.8N48 T52N48-D50 PolarHBondContact ND2-OD1 3.26Å; N48-D50 PolarHBondContact O-N 3.21Å; N48-D50 PolarHBondContact OD1-OD1 2.95Å; D50-T52 PolarHBondContact O-N 2.83Å
51T66Low69.5Low55 Ų5571.5 Ų71.534%0.33738%0.382SS..  trans-81.8105.2173.2-57.80000108.1V49 N77V49-T51 WeakPolarHBondContact CG1-OG1 3.37Å; V49-T51 PolarHBondContact O-N 3.22Å; T51-N77 HydrophobicContact CG2-CB 3.66Å
52T79.4Confident72.1Confident47 Ų4767.7 Ų67.729%0.28836%0.356SS..EExtended strand (participates in β ladder)trans-95.6118.1173.7-58.50000109.1K31 S32 D50 N77K31-T52 HydrophobicContact CB-CG2 3.36Å; K31-T52 HydrophobicContact CD-CG2 4.05Å; K31-T52 HydrophobicContact CG-CG2 3.62Å; S32-T52 CarbonylContact O-C 3.55Å; S32-T52 VanDerWaalsContact O-CA 3.27Å; S32-T52 WeakPolarHBondContact O-CA 3.41Å; D50-T52 PolarHBondContact O-N 2.83Å; T52-N77 VanDerWaalsContact O-CB 3.31Å; T52-N77 WeakPolarHBondContact O-CB 3.33Å; T52-N77 PolarHBondContact O-ND2 2.83Å
53A84.2Confident73.7Confident5 Ų563.4 Ų63.44%0.04134%0.335CS..EExtended strand (participates in β ladder)trans-69.5140.1169.500000109.8K31 S32 K76 N77 L79K31-A53 CarbonylContact C-O 3.57Å; K31-A53 VanDerWaalsContact CA-O 3.26Å; K31-A53 WeakPolarHBondContact CA-O 3.48Å; S32-A53 PolarHBondContact N-O 3.09Å; S32-A53 PolarHBondContact O-N 2.86Å; A53-K76 WeakPolarHBondContact CA-O 3.41Å; A53-N77 WeakPolarHBondContact CB-O 3.28Å; A53-L79 HydrophobicContact CB-CD1 4.26Å; A53-L79 HydrophobicContact CB-CG 4.08Å
54E88.9Confident75.6Confident26 Ų2664.8 Ų64.812%0.12133%0.334CS..EExtended strand (participates in β ladder)trans-132.9133.9-179.6-173.7175.8-121.900110.6R30 K31 L56 A75 K76R30-E54 VanDerWaalsContact O-CA 3.3Å; R30-E54 WeakPolarHBondContact O-CA 3.47Å; K31-E54 WeakPolarHBondContact CE-OE1 3.41Å; K31-E54 HydrophobicContact CG-CG 4.41Å; E54-L56 HydrophobicContact CG-CD1 4.13Å; E54-L56 HydrophobicContact CG-CG 4.13Å; E54-A75 CarbonylContact O-C 3.51Å; E54-A75 WeakPolarHBondContact O-CA 3.32Å; E54-A75 WeakPolarHBondContact O-CB 3.44Å; E54-K76 HydrophobicContact CB-CB 4.3Å; E54-K76 PolarHBondContact N-O 2.89Å; E54-K76 PolarHBondContact O-N 2.83Å; E54-K76 IonicContact OE2-NZ 2.82Å; E54-K76 PolarHBondContact OE2-NZ 3Å
55I92.1Very high77.7Confident8 Ų867.6 Ų67.64%0.04134%0.337CS..EExtended strand (participates in β ladder)trans-113.1128.5168.9-62.9170.1000107.8N9 L11 S29 R30 L57 L72 A75 V140N9-I55 WeakPolarHBondContact O-CD1 3.39Å; L11-I55 HydrophobicContact CB-CD1 4.14Å; L11-I55 HydrophobicContact CD1-CB 4.2Å; L11-I55 HydrophobicContact CD1-CG2 4.24Å; S29-I55 VanDerWaalsContact CA-O 3.25Å; S29-I55 WeakPolarHBondContact CA-O 3.37Å; R30-I55 PolarHBondContact N-O 3.47Å; R30-I55 PolarHBondContact O-N 3.4Å; I55-L57 HydrophobicContact CG2-CD2 4.39Å; I55-L72 HydrophobicContact CG2-CD1 3.92Å; I55-A75 HydrophobicContact CG1-CB 4.25Å; I55-V140 HydrophobicContact CD1-CG2 3.79Å; I55-V140 HydrophobicContact CG1-CG2 4.03Å
56L93.5Very high79.8Confident44 Ų4463.1 Ų63.123%0.2332%0.319CS..EExtended strand (participates in β ladder)trans-113.9128-179.4-63119.1000110.6E54 N73 S74 K76E54-L56 HydrophobicContact CG-CD1 4.13Å; E54-L56 HydrophobicContact CG-CG 4.13Å; L56-N73 HydrophobicContact CB-CB 4.38Å; L56-N73 WeakPolarHBondContact O-CB 3.29Å; L56-N73 PolarHBondContact O-N 3.2Å; L56-S74 VanDerWaalsContact CD1-OG 3.28Å; L56-S74 WeakPolarHBondContact CD1-OG 3.17Å; L56-S74 PolarHBondContact N-O 2.93Å; L56-S74 PolarHBondContact O-N 2.81Å; L56-K76 HydrophobicContact CD1-CD 4.2Å; L56-K76 HydrophobicContact CD1-CG 4.22Å
57L95.1Very high82.2Confident2 Ų260.4 Ų60.41%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-148.8165.1177.770.3158000112.9L11 M28 I55 I59 V70 V71 L72 N73 L136 I138L11-L57 HydrophobicContact CD1-CD2 3.34Å; L11-L57 HydrophobicContact CD2-CD2 4.01Å; L11-L57 HydrophobicContact CG-CD2 4.32Å; M28-L57 HydrophobicContact CB-CD2 3.95Å; M28-L57 HydrophobicContact CB-CG 4.3Å; M28-L57 PolarHBondContact N-O 2.8Å; M28-L57 PolarHBondContact O-N 2.99Å; M28-L57 VanDerWaalsContact O-N 3.16Å; I55-L57 HydrophobicContact CG2-CD2 4.39Å; L57-I59 HydrophobicContact CD1-CD1 3.68Å; L57-I59 HydrophobicContact CD1-CG1 3.6Å; L57-I59 HydrophobicContact CG-CG1 4.3Å; L57-V70 HydrophobicContact CD1-CG1 4.05Å; L57-V71 CarbonylContact C-O 3.29Å; L57-V71 VanDerWaalsContact CA-O 3.27Å; L57-V71 WeakPolarHBondContact CA-O 3.25Å; L57-V71 WeakPolarHBondContact CB-O 3.33Å; L57-L72 HydrophobicContact CB-CD1 4.34Å; L57-N73 WeakPolarHBondContact CA-OD1 3.37Å; L57-L136 HydrophobicContact CD1-CD2 4.25Å; L57-I138 HydrophobicContact CD1-CD1 3.43Å; L57-I138 VanDerWaalsContact CD1-CD1 3.43Å; L57-I138 HydrophobicContact CD2-CD1 4.46Å; L57-I138 HydrophobicContact CG-CD1 4.48Å
58T94.3Very high84.4Confident19 Ų1953.1 Ų53.112%0.11727%0.269CS..EExtended strand (participates in β ladder)trans-121.5133.5170.4-49.50000109.4P25 V26 Y27 V71 N73P25-T58 HydrophobicContact CB-CG2 3.56Å; V26-T58 WeakPolarHBondContact O-CA 3.41Å; Y27-T58 HydrophobicContact CD1-CG2 4.15Å; Y27-T58 WeakPolarHBondContact CD1-OG1 3.39Å; Y27-T58 HydrophobicContact CE1-CG2 3.93Å; Y27-T58 WeakPolarHBondContact CE1-OG1 3.48Å; T58-V71 PolarHBondContact N-O 2.8Å; T58-V71 PolarHBondContact O-N 2.88Å; T58-N73 PolarHBondContact N-OD1 2.9Å; T58-N73 PolarHBondContact OG1-OD1 2.84Å
59I93.2Very high86.7Confident4 Ų451.5 Ų51.52%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-123135.7177.8-57.3179.7000109F13 P25 V26 M28 L57 L68 K69 L136F13-I59 HydrophobicContact CB-CD1 4.08Å; F13-I59 HydrophobicContact CD1-CD1 3.41Å; F13-I59 VanDerWaalsContact CD1-CD1 3.41Å; F13-I59 HydrophobicContact CD2-CD1 3.93Å; F13-I59 HydrophobicContact CE1-CD1 3.64Å; F13-I59 HydrophobicContact CE1-CG2 4.05Å; F13-I59 HydrophobicContact CE2-CD1 4.11Å; F13-I59 HydrophobicContact CG-CD1 3.52Å; F13-I59 HydrophobicContact CZ-CD1 3.95Å; F13-I59 HydrophobicContact CZ-CG2 4.34Å; P25-I59 CarbonylContact C-O 3.59Å; P25-I59 WeakPolarHBondContact CA-O 3.29Å; V26-I59 PolarHBondContact N-O 2.79Å; V26-I59 PolarHBondContact O-N 2.87Å; M28-I59 HydrophobicContact SD-CD1 4.12Å; L57-I59 HydrophobicContact CD1-CD1 3.68Å; L57-I59 HydrophobicContact CD1-CG1 3.6Å; L57-I59 HydrophobicContact CG-CG1 4.3Å; I59-L68 HydrophobicContact CG2-CD1 3.39Å; I59-L68 HydrophobicContact CG2-CG 4.27Å; I59-K69 WeakPolarHBondContact CA-O 3.39Å; I59-L136 HydrophobicContact CD1-CD2 3.82Å; I59-L136 HydrophobicContact CG1-CD2 4.42Å
60S92.3Very high88.6Confident15 Ų1548.6 Ų48.611%0.10524%0.239CC..EExtended strand (participates in β ladder)trans-143.7134.5172.356.70000110.6K69S60-K69 PolarHBondContact N-O 2.88Å; S60-K69 PolarHBondContact O-N 2.96Å
61F91.3Very high90.4Very high11 Ų1143.9 Ų43.95%0.04822%0.215CC..EExtended strand (participates in β ladder)trans-94.6114.9173-178.3-115000111.2H19 L20 K63 T67 I126H19-F61 WeakPolarHBondContact O-CB 3.34Å; L20-F61 HydrophobicContact CB-CD1 4.23Å; L20-F61 HydrophobicContact CB-CE1 4.49Å; L20-F61 HydrophobicContact CD2-CB 4.32Å; L20-F61 HydrophobicContact CD2-CD1 3.73Å; L20-F61 HydrophobicContact CD2-CD2 4.17Å; L20-F61 HydrophobicContact CD2-CE1 3.97Å; L20-F61 HydrophobicContact CD2-CE2 4.42Å; L20-F61 HydrophobicContact CD2-CG 3.81Å; L20-F61 HydrophobicContact CD2-CZ 4.31Å; F61-K63 HydrophobicContact CD1-CB 4.13Å; F61-K63 HydrophobicContact CE1-CB 3.89Å; F61-K63 HydrophobicContact CE1-CG 4.15Å; F61-K63 PolarHBondContact O-N 3.31Å; F61-T67 WeakPolarHBondContact CD2-O 3.44Å; F61-I126 HydrophobicContact CD2-CG1 4.45Å; F61-I126 HydrophobicContact CE2-CB 4.15Å; F61-I126 HydrophobicContact CE2-CG1 3.95Å
62M91.3Very high91.9Very high41 Ų4141.3 Ų41.320%0.20220%0.199CC..EExtended strand (participates in β ladder)trans-87.486.9177.4-61.6-175.5-62.200109.1K64 Q65 Q66 T67 K69M62-K64 VanDerWaalsContact C-N 3.31Å; M62-K64 PolarHBondContact O-N 2.76Å; M62-Q65 HydrophobicContact CB-CB 4.35Å; M62-Q65 CarbonylContact O-C 3.56Å; M62-Q65 PolarHBondContact O-N 3.46Å; M62-Q66 PolarHBondContact O-N 2.92Å; M62-T67 HydrophobicContact CE-CG2 3.39Å; M62-T67 PolarHBondContact N-O 2.95Å; M62-T67 PolarHBondContact O-N 3.28Å; M62-K69 HydrophobicContact CE-CB 4.1Å; M62-K69 HydrophobicContact SD-CD 4.47Å
63K86.9Confident92.8Very high118 Ų11841.3 Ų41.351%0.51320%0.197SC..G310 helixtrans-55.6-37.5-171.1-175.7171.3-175.81670114.6F61 Q65 Q66F61-K63 HydrophobicContact CD1-CB 4.13Å; F61-K63 HydrophobicContact CE1-CB 3.89Å; F61-K63 HydrophobicContact CE1-CG 4.15Å; F61-K63 PolarHBondContact O-N 3.31Å; K63-Q65 VanDerWaalsContact C-N 3.3Å; K63-Q65 PolarHBondContact O-N 2.82Å; K63-Q66 PolarHBondContact O-N 2.87Å; K63-Q66 PolarHBondContact O-NE2 3.27Å
64K89.9Confident93.3Very high197 Ų19742.1 Ų42.186%0.85720%0.203SC*.G310 helixtrans-67.9-33.3179.4-71.6-176.9178.7178.90112.3M62M62-K64 VanDerWaalsContact C-N 3.31Å; M62-K64 PolarHBondContact O-N 2.76Å
65Q92.2Very high93.5Very high115 Ų11540.9 Ų40.954%0.53720%0.197SC..G310 helixtrans-95.3-2.5-179.5-62.281.21.400112.5M62 K63 T67M62-Q65 HydrophobicContact CB-CB 4.35Å; M62-Q65 CarbonylContact O-C 3.56Å; M62-Q65 PolarHBondContact O-N 3.46Å; K63-Q65 VanDerWaalsContact C-N 3.3Å; K63-Q65 PolarHBondContact O-N 2.82Å; Q65-T67 PolarHBondContact O-N 3.31Å; Q65-T67 PolarHBondContact O-OG1 3.34Å
66Q91.2Very high93.4Very high91 Ų9144.7 Ų44.743%0.42521%0.213SC..THydrogen-bonded Turntrans47.246.1-172.5-66-64.7-50.900111.6M62 K63 I126M62-Q66 PolarHBondContact O-N 2.92Å; K63-Q66 PolarHBondContact O-N 2.87Å; K63-Q66 PolarHBondContact O-NE2 3.27Å; Q66-I126 PolarHBondContact O-N 2.93Å
67T93.8Very high93.1Very high19 Ų1946 Ų4612%0.11722%0.221CC..EExtended strand (participates in β ladder)trans-123.7126.9-172.4-60.80000110.6F61 M62 Q65 N123 F124F61-T67 WeakPolarHBondContact CD2-O 3.44Å; M62-T67 HydrophobicContact CE-CG2 3.39Å; M62-T67 PolarHBondContact N-O 2.95Å; M62-T67 PolarHBondContact O-N 3.28Å; Q65-T67 PolarHBondContact O-N 3.31Å; Q65-T67 PolarHBondContact O-OG1 3.34Å; T67-N123 HydrophobicContact CG2-CB 3.72Å; T67-F124 CarbonylContact C-O 3.4Å; T67-F124 WeakPolarHBondContact CA-O 3.26Å
68L94.4Very high92.7Very high1 Ų146.6 Ų46.61%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-86.1109.4166.1-176.465.1000109.6M15 I59 V70 L95 F124 I126M15-L68 HydrophobicContact CE-CD1 3.51Å; M15-L68 HydrophobicContact CE-CD2 3.64Å; M15-L68 HydrophobicContact CE-CG 4.15Å; I59-L68 HydrophobicContact CG2-CD1 3.39Å; I59-L68 HydrophobicContact CG2-CG 4.27Å; L68-V70 HydrophobicContact CD2-CG2 4.37Å; L68-V70 HydrophobicContact CG-CG2 4.2Å; L68-L95 HydrophobicContact CD2-CD1 4.03Å; L68-F124 HydrophobicContact CB-CB 4.32Å; L68-F124 PolarHBondContact N-O 3.39Å; L68-F124 PolarHBondContact O-N 2.86Å; L68-I126 HydrophobicContact CB-CD1 3.88Å; L68-I126 HydrophobicContact CB-CG1 3.97Å
69K95.4Very high91.9Very high74 Ų7446.5 Ų46.532%0.32222%0.223SC..EExtended strand (participates in β ladder)trans-90.3127.9173.5178.9-178.7179.2-176.40109.9I59 S60 M62 T121 F122I59-K69 WeakPolarHBondContact CA-O 3.39Å; S60-K69 PolarHBondContact N-O 2.88Å; S60-K69 PolarHBondContact O-N 2.96Å; M62-K69 HydrophobicContact CE-CB 4.1Å; M62-K69 HydrophobicContact SD-CD 4.47Å; K69-T121 HydrophobicContact CG-CG2 4.09Å; K69-F122 WeakPolarHBondContact CA-O 3.21Å
70V96.3Very high90.7Very high0 Ų049.1 Ų49.10%024%0.24CC..EExtended strand (participates in β ladder)trans-121.9121.6176.3-176.10000108.9L57 L68 L93 T121 F122 F124 L136L57-V70 HydrophobicContact CD1-CG1 4.05Å; L68-V70 HydrophobicContact CD2-CG2 4.37Å; L68-V70 HydrophobicContact CG-CG2 4.2Å; V70-L93 HydrophobicContact CB-CD2 4.34Å; V70-L93 HydrophobicContact CG1-CD2 3.75Å; V70-T121 CarbonylContact O-C 3.54Å; V70-T121 WeakPolarHBondContact O-CA 3.2Å; V70-F122 PolarHBondContact N-O 2.88Å; V70-F122 PolarHBondContact O-N 2.71Å; V70-F124 HydrophobicContact CB-CE2 4.39Å; V70-F124 HydrophobicContact CG2-CD2 4.07Å; V70-F124 HydrophobicContact CG2-CE2 3.87Å; V70-L136 HydrophobicContact CB-CD2 4.44Å; V70-L136 HydrophobicContact CG1-CD2 3.95Å; V70-L136 HydrophobicContact CG2-CD1 4.33Å; V70-L136 HydrophobicContact CG2-CD2 3.6Å
71V97.1Very high89.4Confident30 Ų3052 Ų5218%0.18225%0.25CS..EExtended strand (participates in β ladder)trans-105.4108.8169.1-175.10000107.6L57 T58 N73 T121L57-V71 CarbonylContact C-O 3.29Å; L57-V71 VanDerWaalsContact CA-O 3.27Å; L57-V71 WeakPolarHBondContact CA-O 3.25Å; L57-V71 WeakPolarHBondContact CB-O 3.33Å; T58-V71 PolarHBondContact N-O 2.8Å; T58-V71 PolarHBondContact O-N 2.88Å; V71-N73 PolarHBondContact O-N 2.82Å; V71-N73 PolarHBondContact O-OD1 2.82Å; V71-T121 HydrophobicContact CG2-CG2 4.33Å
72L97.4Very high87.8Confident0 Ų059.8 Ų59.80%028%0.284CS..EExtended strand (participates in β ladder)trans-83.8110.6171.3-178.164.7000108.6I55 L57 A91 L93 T107 F118 N119 E120 I138I55-L72 HydrophobicContact CG2-CD1 3.92Å; L57-L72 HydrophobicContact CB-CD1 4.34Å; L72-A91 HydrophobicContact CD2-CB 3.39Å; L72-L93 HydrophobicContact CD2-CD1 4.3Å; L72-T107 HydrophobicContact CD2-CG2 3.72Å; L72-F118 HydrophobicContact CD2-CB 4.11Å; L72-F118 HydrophobicContact CD2-CD1 4.42Å; L72-F118 HydrophobicContact CD2-CD2 3.57Å; L72-F118 HydrophobicContact CD2-CE2 4.04Å; L72-F118 HydrophobicContact CD2-CG 3.78Å; L72-F118 HydrophobicContact CG-CB 4.09Å; L72-F118 HydrophobicContact CG-CD2 3.79Å; L72-F118 HydrophobicContact CG-CG 4.14Å; L72-F118 WeakPolarHBondContact O-CB 3.3Å; L72-N119 VanDerWaalsContact O-CA 3.29Å; L72-N119 WeakPolarHBondContact O-CA 3.4Å; L72-N119 PolarHBondContact O-N 3.26Å; L72-E120 PolarHBondContact N-O 2.96Å; L72-E120 PolarHBondContact O-N 2.78Å; L72-I138 HydrophobicContact CD1-CG2 4.5Å
73N97.5Very high86.2Confident47 Ų4763.9 Ų63.925%0.25132%0.317SS..EExtended strand (participates in β ladder)trans-81.8-65.7-175.7-61.798.9000110.8L56 L57 T58 V71 F118 N119L56-N73 HydrophobicContact CB-CB 4.38Å; L56-N73 WeakPolarHBondContact O-CB 3.29Å; L56-N73 PolarHBondContact O-N 3.2Å; L57-N73 WeakPolarHBondContact CA-OD1 3.37Å; T58-N73 PolarHBondContact N-OD1 2.9Å; T58-N73 PolarHBondContact OG1-OD1 2.84Å; V71-N73 PolarHBondContact O-N 2.82Å; V71-N73 PolarHBondContact O-OD1 2.82Å; N73-F118 PolarHBondContact O-N 3.02Å; N73-N119 PolarHBondContact O-N 3.21Å; N73-N119 VanDerWaalsContact O-N 3.09Å; N73-N119 PolarHBondContact O-OD1 2.89Å
74S95.5Very high84.6Confident22 Ų2262.9 Ų62.915%0.15432%0.317CS..EExtended strand (participates in β ladder)trans-159.2166.4-17558.80000112L56 P116L56-S74 VanDerWaalsContact CD1-OG 3.28Å; L56-S74 WeakPolarHBondContact CD1-OG 3.17Å; L56-S74 PolarHBondContact N-O 2.93Å; L56-S74 PolarHBondContact O-N 2.81Å; S74-P116 CarbonylContact C-O 3.56Å; S74-P116 WeakPolarHBondContact CA-O 3.28Å; S74-P116 VanDerWaalsContact CB-O 3.25Å; S74-P116 WeakPolarHBondContact CB-O 3.25Å
75A93Very high83.1Confident1 Ų157.7 Ų57.71%0.00830%0.302CS..EExtended strand (participates in β ladder)trans-121.9156.9159.300000109.8E54 I55 L78 N115 P116 F118 V140E54-A75 CarbonylContact O-C 3.51Å; E54-A75 WeakPolarHBondContact O-CA 3.32Å; E54-A75 WeakPolarHBondContact O-CB 3.44Å; I55-A75 HydrophobicContact CG1-CB 4.25Å; A75-L78 HydrophobicContact CB-CD2 3.74Å; A75-L78 HydrophobicContact CB-CG 4.25Å; A75-N115 CarbonylContact O-C 3.59Å; A75-N115 VanDerWaalsContact O-C 3.29Å; A75-N115 WeakPolarHBondContact O-CA 3.37Å; A75-P116 HydrophobicContact CB-CG 3.92Å; A75-P116 PolarHBondContact N-O 3.4Å; A75-P116 WeakPolarHBondContact O-CD 3.31Å; A75-F118 HydrophobicContact CB-CE2 4.44Å; A75-V140 HydrophobicContact CB-CG2 4.24Å
76K90.7Very high81.6Confident87 Ų8754.1 Ų54.138%0.37829%0.29SS..EExtended strand (participates in β ladder)trans-130.6149.3177.6-59.8179.1-170.2155.50110.1A53 E54 L56 L78 K114 N115A53-K76 WeakPolarHBondContact CA-O 3.41Å; E54-K76 HydrophobicContact CB-CB 4.3Å; E54-K76 PolarHBondContact N-O 2.89Å; E54-K76 PolarHBondContact O-N 2.83Å; E54-K76 IonicContact OE2-NZ 2.82Å; E54-K76 PolarHBondContact OE2-NZ 3Å; L56-K76 HydrophobicContact CD1-CD 4.2Å; L56-K76 HydrophobicContact CD1-CG 4.22Å; K76-L78 PolarHBondContact O-N 2.87Å; K76-K114 CarbonylContact C-O 3.55Å; K76-N115 VanDerWaalsContact CA-OD1 3.28Å; K76-N115 WeakPolarHBondContact CA-OD1 3.39Å
77N87.3Confident81Confident71 Ų7154.4 Ų54.438%0.3830%0.298SS..SBendtrans52.740.3172.4-62.1-29.7000113.1T51 T52 A53 L79 K114 N115T51-N77 HydrophobicContact CG2-CB 3.66Å; T52-N77 VanDerWaalsContact O-CB 3.31Å; T52-N77 WeakPolarHBondContact O-CB 3.33Å; T52-N77 PolarHBondContact O-ND2 2.83Å; A53-N77 WeakPolarHBondContact CB-O 3.28Å; N77-L79 PolarHBondContact O-N 2.94Å; N77-K114 PolarHBondContact N-O 2.83Å; N77-K114 VanDerWaalsContact N-O 3.15Å; N77-N115 PolarHBondContact N-OD1 2.81Å
78L85.5Confident80.7Confident15 Ų1556.5 Ų56.58%0.07931%0.308CS..PPolyproline II helixtrans-52.8133.7179.1-69.1179000110.8N9 A75 K76 P89 K114 P116 V140N9-L78 HydrophobicContact CB-CD2 4.35Å; A75-L78 HydrophobicContact CB-CD2 3.74Å; A75-L78 HydrophobicContact CB-CG 4.25Å; K76-L78 PolarHBondContact O-N 2.87Å; L78-P89 HydrophobicContact CD1-CB 3.64Å; L78-P89 HydrophobicContact CD1-CG 4.13Å; L78-K114 HydrophobicContact CB-CB 4.31Å; L78-K114 WeakPolarHBondContact CG-O 3.19Å; L78-K114 PolarHBondContact N-O 3.32Å; L78-P116 HydrophobicContact CD1-CG 3.82Å; L78-V140 HydrophobicContact CD1-CG1 3.6Å; L78-V140 HydrophobicContact CD2-CB 3.83Å; L78-V140 HydrophobicContact CD2-CG1 3.66Å; L78-V140 HydrophobicContact CD2-CG2 4.5Å; L78-V140 HydrophobicContact CG-CG1 4.29Å
79L76.7Confident80.6Confident18 Ų1856.9 Ų56.99%0.09431%0.31CS..PPolyproline II helixtrans-79.3130.9178.5-63.1168.5000109.3P7 N9 T34 A53 N77 K81P7-L79 HydrophobicContact CB-CB 3.53Å; P7-L79 HydrophobicContact CB-CD1 3.7Å; P7-L79 HydrophobicContact CB-CG 4.27Å; P7-L79 HydrophobicContact CG-CB 3.95Å; N9-L79 PolarHBondContact ND2-O 3.33Å; N9-L79 PolarHBondContact OD1-N 3.17Å; T34-L79 WeakPolarHBondContact OG1-CD1 3.44Å; T34-L79 WeakPolarHBondContact OG1-CD2 3.36Å; A53-L79 HydrophobicContact CB-CD1 4.26Å; A53-L79 HydrophobicContact CB-CG 4.08Å; N77-L79 PolarHBondContact O-N 2.94Å; L79-K81 PolarHBondContact O-N 2.8Å
80P68.2Low80.4Confident58 Ų5855.7 Ų55.738%0.37731%0.306SS..PPolyproline II helixtrans-63.5131176.3-16.729.4000110.5K82 T85P80-K82 WeakPolarHBondContact CB-O 3.48Å; P80-T85 HydrophobicContact CB-CG2 4.37Å; P80-T85 HydrophobicContact CG-CG2 4.05Å
81K66.5Low80.3Confident76 Ų7655.7 Ų55.733%0.3331%0.306SS..SBendtrans-75.2-25.3173.8-72.8-166.1169.8-158.90113.2D6 P7 L79 G141D6-K81 IonicContact OD2-NZ 3.21Å; D6-K81 PolarHBondContact OD2-NZ 3.37Å; P7-K81 HydrophobicContact CG-CG 4.2Å; L79-K81 PolarHBondContact O-N 2.8Å; K81-G141 WeakPolarHBondContact CE-O 3.15Å; K81-G141 PolarHBondContact NZ-O 3.03Å
82K57.9Low80.2Confident174 Ų17454.3 Ų54.376%0.75730%0.297SS*.SBendtrans-150.5175.9176.3-69-169.1177.7178.30109.8P80 D84P80-K82 WeakPolarHBondContact CB-O 3.48Å; K82-D84 CarbonylContact O-C 3.42Å; K82-D84 PolarHBondContact O-N 3.5Å
83S55.8Low80.1Confident127 Ų12754.3 Ų54.389%0.88830%0.297SS*.SBendtrans-51.9-17.2178.956.60000115.1T85S83-T85 PolarHBondContact O-N 2.78Å
84D54.8Low80Confident98 Ų9852.3 Ų52.352%0.52429%0.286SS..  trans-83.397.3170.8-163.2-9.7000110.9K82 S86K82-D84 CarbonylContact O-C 3.42Å; K82-D84 PolarHBondContact O-N 3.5Å; D84-S86 PolarHBondContact O-N 2.72Å; D84-S86 VanDerWaalsContact O-N 3.17Å; D84-S86 WeakPolarHBondContact OD1-CB 3.27Å; D84-S86 PolarHBondContact OD1-N 2.95Å
85T57.1Low80Confident88 Ų8851.3 Ų51.354%0.5428%0.279SS..  trans-68.4-1.317547.10000114.2P80 S83P80-T85 HydrophobicContact CB-CG2 4.37Å; P80-T85 HydrophobicContact CG-CG2 4.05Å; S83-T85 PolarHBondContact O-N 2.78Å
86S62.1Low80.1Confident40 Ų4051.7 Ų51.728%0.2828%0.281SS..  trans-122.949.5-166.7179.80000113.8D84 K112D84-S86 PolarHBondContact O-N 2.72Å; D84-S86 VanDerWaalsContact O-N 3.17Å; D84-S86 WeakPolarHBondContact OD1-CB 3.27Å; D84-S86 PolarHBondContact OD1-N 2.95Å; S86-K112 WeakPolarHBondContact OG-CD 3.12Å; S86-K112 WeakPolarHBondContact OG-CE 3.49Å; S86-K112 VanDerWaalsContact OG-CG 3.27Å; S86-K112 WeakPolarHBondContact OG-CG 3.37Å
87V77.4Confident80.2Confident97 Ų9749.5 Ų49.559%0.58827%0.272SS*.  trans-88.3146.6166.5-174.10000109.7P89V87-P89 WeakPolarHBondContact O-CD 3.43Å
88D88.6Confident80.2Confident63 Ų6348.3 Ų48.334%0.33728%0.276SS..  trans-73.4100.8170.7-62.7-22.8000109.8F90 K110 Y111 K112D88-F90 PolarHBondContact O-N 2.9Å; D88-K110 CarbonylContact C-O 3.4Å; D88-K110 WeakPolarHBondContact CA-O 3.38Å; D88-K110 WeakPolarHBondContact CB-O 3.45Å; D88-Y111 VanDerWaalsContact OD1-CA 3.31Å; D88-Y111 WeakPolarHBondContact OD1-CA 3.11Å; D88-K112 PolarHBondContact OD1-N 2.82Å
89P90.9Very high80.3Confident8 Ų857.7 Ų57.75%0.05232%0.317CS..  trans-61.4135.8-178.727.3-41.9000112.7L78 V87 S109 K110 T113 P116 V140L78-P89 HydrophobicContact CD1-CB 3.64Å; L78-P89 HydrophobicContact CD1-CG 4.13Å; V87-P89 WeakPolarHBondContact O-CD 3.43Å; P89-S109 CarbonylContact O-C 3.49Å; P89-S109 VanDerWaalsContact O-CA 3.3Å; P89-S109 WeakPolarHBondContact O-CA 3.39Å; P89-K110 WeakPolarHBondContact CD-O 3.42Å; P89-K110 HydrophobicContact CG-CB 4.26Å; P89-K110 PolarHBondContact O-N 3.36Å; P89-T113 VanDerWaalsContact CD-O 3.32Å; P89-T113 WeakPolarHBondContact CD-O 3.28Å; P89-T113 HydrophobicContact CG-CG2 3.86Å; P89-T113 WeakPolarHBondContact CG-O 3.2Å; P89-P116 HydrophobicContact CB-CB 4.37Å; P89-P116 HydrophobicContact CB-CG 4.11Å; P89-P116 HydrophobicContact CG-CB 3.74Å; P89-P116 HydrophobicContact CG-CG 3.86Å; P89-V140 HydrophobicContact CB-CG1 4.08Å
90F93.2Very high81Confident50 Ų5061.1 Ų61.122%0.21934%0.338CS..  trans-123.3158.1161.363.2-85.7000108.6D88 V106 G141D88-F90 PolarHBondContact O-N 2.9Å; F90-V106 HydrophobicContact CD2-CG1 3.73Å; F90-V106 HydrophobicContact CE2-CG1 4.37Å; F90-V106 HydrophobicContact CG-CG1 4.48Å; F90-G141 PolarHBondContact O-N 3.48Å
91A93.7Very high82.2Confident0 Ų062.5 Ų62.50%034%0.342CS..EExtended strand (participates in β ladder)trans-108.1140.8170.600000110.5L72 L93 V106 T107 F118 I138 A139 V140L72-A91 HydrophobicContact CD2-CB 3.39Å; A91-L93 HydrophobicContact CB-CD1 4.26Å; A91-V106 WeakPolarHBondContact O-CA 3.05Å; A91-T107 HydrophobicContact CB-CG2 3.83Å; A91-T107 PolarHBondContact N-OG1 3.21Å; A91-T107 PolarHBondContact O-N 3.32Å; A91-F118 HydrophobicContact CB-CE1 4.45Å; A91-F118 HydrophobicContact CB-CE2 4.45Å; A91-F118 HydrophobicContact CB-CZ 4.18Å; A91-I138 HydrophobicContact CB-CG2 4.47Å; A91-A139 CarbonylContact C-O 3.57Å; A91-A139 VanDerWaalsContact CA-O 3.27Å; A91-A139 WeakPolarHBondContact CA-O 3.48Å; A91-V140 HydrophobicContact CB-CG2 4.09Å
92T94.6Very high83.6Confident0 Ų062.1 Ų62.10%034%0.343CS..EExtended strand (participates in β ladder)trans-107.5133.2165.4-50.90000108.4W94 R104 C105 V106 I138 A139 G142T92-W94 VanDerWaalsContact CB-CH2 3.44Å; T92-W94 HydrophobicContact CG2-CD2 3.81Å; T92-W94 HydrophobicContact CG2-CE3 4.15Å; T92-W94 HydrophobicContact CG2-CH2 3.63Å; T92-W94 HydrophobicContact CG2-CZ2 3.19Å; T92-W94 HydrophobicContact CG2-CZ3 4.07Å; T92-W94 WeakPolarHBondContact O-CZ3 3.13Å; T92-R104 HydrophobicContact CG2-CG 3.81Å; T92-C105 WeakPolarHBondContact CA-O 3.46Å; T92-V106 HydrophobicContact CG2-CG2 4.06Å; T92-I138 CarbonylContact O-C 3.55Å; T92-I138 WeakPolarHBondContact O-CA 3.25Å; T92-A139 PolarHBondContact N-O 2.99Å; T92-A139 PolarHBondContact O-N 2.81Å; T92-G142 WeakPolarHBondContact CB-O 3.33Å; T92-G142 PolarHBondContact OG1-O 2.83Å
93L95.9Very high85.4Confident0 Ų057.1 Ų57.10%033%0.325CS..EExtended strand (participates in β ladder)trans-113.7132.8175.2-67.777.5000107.9V70 L72 A91 R104 C105 T107 F122 F124 L136 V137 I138V70-L93 HydrophobicContact CB-CD2 4.34Å; V70-L93 HydrophobicContact CG1-CD2 3.75Å; L72-L93 HydrophobicContact CD2-CD1 4.3Å; A91-L93 HydrophobicContact CB-CD1 4.26Å; L93-R104 CarbonylContact O-C 3.56Å; L93-R104 VanDerWaalsContact O-CA 3.28Å; L93-R104 WeakPolarHBondContact O-CA 3.31Å; L93-C105 HydrophobicContact CB-CB 4.45Å; L93-C105 PolarHBondContact N-O 2.77Å; L93-C105 PolarHBondContact O-N 2.93Å; L93-T107 HydrophobicContact CD1-CG2 4.4Å; L93-F122 HydrophobicContact CD1-CD2 4.36Å; L93-F122 HydrophobicContact CD1-CE2 4.02Å; L93-F122 HydrophobicContact CD1-CZ 4.46Å; L93-F122 HydrophobicContact CD2-CD2 3.76Å; L93-F122 HydrophobicContact CD2-CE2 4.22Å; L93-F122 HydrophobicContact CD2-CG 4.38Å; L93-F124 HydrophobicContact CB-CZ 4.17Å; L93-L136 HydrophobicContact CB-CD1 4.42Å; L93-V137 CarbonylContact C-O 3.51Å; L93-V137 WeakPolarHBondContact CA-O 3.3Å; L93-I138 HydrophobicContact CD1-CG2 4.43Å; L93-I138 HydrophobicContact CD2-CD1 4.25Å; L93-I138 HydrophobicContact CD2-CG1 4.43Å; L93-I138 HydrophobicContact CG-CD1 4.33Å; L93-I138 HydrophobicContact CG-CG1 4.04Å; L93-I138 HydrophobicContact CG-CG2 4.18Å
94W95Very high87.2Confident5 Ų557 Ų572%0.01930%0.304CS..EExtended strand (participates in β ladder)trans-123.8129.5174.7-58.4-93.4000109.5T92 V96 L101 D103 R104 L136 V137 A139 S144 L145T92-W94 VanDerWaalsContact CB-CH2 3.44Å; T92-W94 HydrophobicContact CG2-CD2 3.81Å; T92-W94 HydrophobicContact CG2-CE3 4.15Å; T92-W94 HydrophobicContact CG2-CH2 3.63Å; T92-W94 HydrophobicContact CG2-CZ2 3.19Å; T92-W94 HydrophobicContact CG2-CZ3 4.07Å; T92-W94 WeakPolarHBondContact O-CZ3 3.13Å; W94-V96 HydrophobicContact CB-CG2 4.23Å; W94-L101 HydrophobicContact CB-CD1 3.78Å; W94-L101 HydrophobicContact CG-CD1 4.12Å; W94-D103 WeakPolarHBondContact CA-O 3.27Å; W94-R104 HydrophobicContact CG-CG 4.49Å; W94-L136 WeakPolarHBondContact O-CA 3.11Å; W94-V137 HydrophobicContact CB-CB 4.32Å; W94-V137 HydrophobicContact CE3-CB 4.03Å; W94-V137 HydrophobicContact CE3-CG1 4.12Å; W94-V137 HydrophobicContact CZ3-CG1 4.48Å; W94-V137 PolarHBondContact N-O 3.27Å; W94-V137 PolarHBondContact O-N 3.35Å; W94-A139 HydrophobicContact CH2-CB 3.79Å; W94-A139 HydrophobicContact CZ3-CB 3.54Å; W94-S144 VanDerWaalsContact CH2-O 3.29Å; W94-S144 WeakPolarHBondContact CH2-O 3.11Å; W94-S144 WeakPolarHBondContact CZ2-O 3.27Å; W94-L145 HydrophobicContact CB-CD1 3.72Å; W94-L145 HydrophobicContact CD2-CB 4.38Å; W94-L145 HydrophobicContact CD2-CD1 3.61Å; W94-L145 HydrophobicContact CE3-CD1 3.93Å; W94-L145 HydrophobicContact CG-CD1 3.54Å; W94-L145 HydrophobicContact CZ2-CB 4.42Å
95L95.6Very high89.3Confident1 Ų153.6 Ų53.61%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-94.7120.8166.2-174.968.3000108.3L68 L102 D103 F124 I126 L134L68-L95 HydrophobicContact CD2-CD1 4.03Å; L95-L102 HydrophobicContact CD2-CB 4.33Å; L95-L102 HydrophobicContact CD2-CD1 4.04Å; L95-L102 HydrophobicContact CG-CB 4.37Å; L95-L102 HydrophobicContact CG-CD1 4.24Å; L95-L102 WeakPolarHBondContact O-CB 3.35Å; L95-L102 PolarHBondContact O-N 3.16Å; L95-D103 HydrophobicContact CB-CB 4.45Å; L95-D103 PolarHBondContact N-O 2.84Å; L95-D103 PolarHBondContact O-N 3.32Å; L95-F124 HydrophobicContact CB-CD1 3.95Å; L95-F124 HydrophobicContact CB-CE1 4.22Å; L95-F124 HydrophobicContact CB-CG 4.3Å; L95-F124 HydrophobicContact CD2-CB 3.7Å; L95-F124 HydrophobicContact CD2-CD1 4.3Å; L95-F124 HydrophobicContact CD2-CG 4.13Å; L95-I126 HydrophobicContact CD2-CD1 3.48Å; L95-I126 VanDerWaalsContact CD2-CD1 3.48Å; L95-L134 HydrophobicContact CD1-CB 4.47Å; L95-L134 HydrophobicContact CD1-CD2 4.07Å; L95-L134 HydrophobicContact CD2-CD2 4.32Å; L95-L134 HydrophobicContact CG-CD2 4.17Å
96V94.2Very high91.1Very high9 Ų952.4 Ų52.46%0.05528%0.281CS..EExtended strand (participates in β ladder)trans-121.6139.4-175.8-177.60000108.7W94 G98 V100 L101 L134 Q135 V137 L145W94-V96 HydrophobicContact CB-CG2 4.23Å; V96-G98 WeakPolarHBondContact CG1-O 3.47Å; V96-V100 CarbonylContact C-O 3.55Å; V96-V100 WeakPolarHBondContact CA-O 3.36Å; V96-V100 WeakPolarHBondContact CG1-O 3.35Å; V96-L101 HydrophobicContact CG2-CD1 4.3Å; V96-L134 CarbonylContact O-C 3.53Å; V96-L134 WeakPolarHBondContact O-CA 3.36Å; V96-Q135 HydrophobicContact CB-CB 4.39Å; V96-Q135 PolarHBondContact N-O 3.4Å; V96-Q135 PolarHBondContact O-N 3.41Å; V96-V137 HydrophobicContact CG2-CG2 4.15Å; V96-L145 HydrophobicContact CG2-CD1 4.3Å; V96-L145 HydrophobicContact CG2-CD2 4.36Å
97H92.8Very high92.8Very high42 Ų4251 Ų5119%0.19427%0.271CS..EExtended strand (participates in β ladder)trans-118.7108.1171.1-175.7-119.7000109.1K99 V100 L102 V128 D129 E130 N133 L134H97-K99 PolarHBondContact O-N 3.46Å; H97-V100 PolarHBondContact N-O 2.91Å; H97-V100 PolarHBondContact O-N 3.35Å; H97-L102 HydrophobicContact CB-CD1 3.77Å; H97-L102 HydrophobicContact CB-CD2 4.05Å; H97-L102 HydrophobicContact CB-CG 3.89Å; H97-V128 HydrophobicContact CB-CG1 4.49Å; H97-D129 PolarHBondContact CE1-O 3.03Å; H97-D129 PolarHBondContact NE2-O 2.95Å; H97-E130 PolarHBondContact NE2-O 3.09Å; H97-N133 WeakPolarHBondContact NE2-CB 2.98Å; H97-L134 HydrophobicContact CB-CD2 4.05Å
98G88.2Confident93.7Very high45 Ų4555.6 Ų55.646%0.46428%0.277SS..THydrogen-bonded Turntrans58-102.8-168.900000111.8V96 N133V96-G98 WeakPolarHBondContact CG1-O 3.47Å; G98-N133 PolarHBondContact N-O 3.35Å
99K87.4Confident94Very high213 Ų21356 Ų5693%0.92629%0.285SS*.THydrogen-bonded Turntrans-1111.7176.7-64.1-176.6-179.4178.20113.8H97H97-K99 PolarHBondContact O-N 3.46Å
100V91.7Very high94.2Very high90 Ų9057.7 Ų57.755%0.54529%0.291SS..EExtended strand (participates in β ladder)trans-98.5123.7-174.5-1780000109.1V96 H97 L102V96-V100 CarbonylContact C-O 3.55Å; V96-V100 WeakPolarHBondContact CA-O 3.36Å; V96-V100 WeakPolarHBondContact CG1-O 3.35Å; H97-V100 PolarHBondContact N-O 2.91Å; H97-V100 PolarHBondContact O-N 3.35Å; V100-L102 HydrophobicContact CG1-CD2 4.23Å; V100-L102 PolarHBondContact O-N 3.08Å
101L93.5Very high94.1Very high86 Ų8663.4 Ų63.445%0.4531%0.313SS..EExtended strand (participates in β ladder)trans-72.5117.5168.9177.364.6000108.8W94 V96 D103W94-L101 HydrophobicContact CB-CD1 3.78Å; W94-L101 HydrophobicContact CG-CD1 4.12Å; V96-L101 HydrophobicContact CG2-CD1 4.3Å; L101-D103 WeakPolarHBondContact CD1-O 3.27Å
102L94.3Very high93.9Very high69 Ų6968.8 Ų68.836%0.36134%0.336SS..EExtended strand (participates in β ladder)trans-87-47.8176.7-61.1-173.3000111.5L95 H97 V100 V128 L134L95-L102 HydrophobicContact CD2-CB 4.33Å; L95-L102 HydrophobicContact CD2-CD1 4.04Å; L95-L102 HydrophobicContact CG-CB 4.37Å; L95-L102 HydrophobicContact CG-CD1 4.24Å; L95-L102 WeakPolarHBondContact O-CB 3.35Å; L95-L102 PolarHBondContact O-N 3.16Å; H97-L102 HydrophobicContact CB-CD1 3.77Å; H97-L102 HydrophobicContact CB-CD2 4.05Å; H97-L102 HydrophobicContact CB-CG 3.89Å; V100-L102 HydrophobicContact CG1-CD2 4.23Å; V100-L102 PolarHBondContact O-N 3.08Å; L102-V128 HydrophobicContact CD1-CG1 3.76Å; L102-V128 HydrophobicContact CD2-CG1 4.23Å; L102-L134 HydrophobicContact CD1-CD2 3.6Å
103D95.8Very high93.7Very high69 Ų6970.8 Ų70.837%0.36935%0.349SS..EExtended strand (participates in β ladder)trans-155158.3-175.2-164.26.5000111.7W94 L95 L101 F124W94-D103 WeakPolarHBondContact CA-O 3.27Å; L95-D103 HydrophobicContact CB-CB 4.45Å; L95-D103 PolarHBondContact N-O 2.84Å; L95-D103 PolarHBondContact O-N 3.32Å; L101-D103 WeakPolarHBondContact CD1-O 3.27Å; D103-F124 HydrophobicContact CB-CD1 3.77Å; D103-F124 HydrophobicContact CB-CE1 4.07Å; D103-F124 VanDerWaalsContact OD2-CD1 3.32Å; D103-F124 WeakPolarHBondContact OD2-CD1 3.32Å
104R95.2Very high93.4Very high123 Ų12374.9 Ų74.946%0.46437%0.366SS..EExtended strand (participates in β ladder)trans-141.6127.7-179.9178.5-172.2169.1-139.9-3.5110.9T92 L93 W94T92-R104 HydrophobicContact CG2-CG 3.81Å; L93-R104 CarbonylContact O-C 3.56Å; L93-R104 VanDerWaalsContact O-CA 3.28Å; L93-R104 WeakPolarHBondContact O-CA 3.31Å; W94-R104 HydrophobicContact CG-CG 4.49Å
105C97.2Very high93.2Very high28 Ų2878.4 Ų78.419%0.18939%0.385CS..EExtended strand (participates in β ladder)trans-117.6153.5170.9-74.70000111.3T92 L93 F122 F124T92-C105 WeakPolarHBondContact CA-O 3.46Å; L93-C105 HydrophobicContact CB-CB 4.45Å; L93-C105 PolarHBondContact N-O 2.77Å; L93-C105 PolarHBondContact O-N 2.93Å; C105-F122 HydrophobicContact CB-CD1 3.4Å; C105-F122 VanDerWaalsContact CB-CD1 3.4Å; C105-F122 HydrophobicContact CB-CE1 3.73Å; C105-F122 HydrophobicContact CB-CG 4.05Å; C105-F124 HydrophobicContact CB-CE1 4.47Å; C105-F124 HydrophobicContact CB-CZ 4.24Å
106V96.5Very high93.1Very high63 Ų6378.4 Ų78.438%0.38239%0.385SS..EExtended strand (participates in β ladder)trans-132.7136.9175.7-173.10000108.8F90 A91 T92F90-V106 HydrophobicContact CD2-CG1 3.73Å; F90-V106 HydrophobicContact CE2-CG1 4.37Å; F90-V106 HydrophobicContact CG-CG1 4.48Å; A91-V106 WeakPolarHBondContact O-CA 3.05Å; T92-V106 HydrophobicContact CG2-CG2 4.06Å
107T97.4Very high93.3Very high10 Ų1083.3 Ų83.36%0.06141%0.41CS..PPolyproline II helixtrans-77170.4175.669.20000111.9L72 A91 L93 F118 E120 F122L72-T107 HydrophobicContact CD2-CG2 3.72Å; A91-T107 HydrophobicContact CB-CG2 3.83Å; A91-T107 PolarHBondContact N-OG1 3.21Å; A91-T107 PolarHBondContact O-N 3.32Å; L93-T107 HydrophobicContact CD1-CG2 4.4Å; T107-F118 HydrophobicContact CG2-CD1 3.81Å; T107-F118 HydrophobicContact CG2-CE1 4.31Å; T107-F118 HydrophobicContact CG2-CG 4.27Å; T107-F118 WeakPolarHBondContact OG1-CD1 3.44Å; T107-F118 WeakPolarHBondContact OG1-CE1 3.49Å; T107-E120 WeakPolarHBondContact CA-OE2 2.97Å; T107-E120 VanDerWaalsContact CB-OE2 3.26Å; T107-E120 WeakPolarHBondContact CB-OE2 3.44Å; T107-F122 HydrophobicContact CG2-CE2 4.01Å; T107-F122 HydrophobicContact CG2-CZ 3.75Å
108R96.5Very high93.5Very high194 Ų19481.7 Ų81.773%0.73240%0.403SS*.PPolyproline II helixtrans-64.2148.4157.7-61.2179.8-174.6-98.7-0.4110.5E120R108-E120 PolarHBondContact N-OE1 3.15Å; R108-E120 PolarHBondContact N-OE2 3.31Å
109S94.2Very high94Very high70 Ų7084.6 Ų84.649%0.4941%0.408SS..PPolyproline II helixtrans-70.4147.9168.6-49.70000110.6P89P89-S109 CarbonylContact O-C 3.49Å; P89-S109 VanDerWaalsContact O-CA 3.3Å; P89-S109 WeakPolarHBondContact O-CA 3.39Å
110K94.4Very high94.5Very high44 Ų4476.1 Ų76.119%0.19137%0.371CS..  trans-112.8133.8174.6-50.6-61.8164.9167.50108.9D88 P89 K112 T113 P116 I117 F118 E120D88-K110 CarbonylContact C-O 3.4Å; D88-K110 WeakPolarHBondContact CA-O 3.38Å; D88-K110 WeakPolarHBondContact CB-O 3.45Å; P89-K110 WeakPolarHBondContact CD-O 3.42Å; P89-K110 HydrophobicContact CG-CB 4.26Å; P89-K110 PolarHBondContact O-N 3.36Å; K110-K112 PolarHBondContact O-N 3.43Å; K110-T113 HydrophobicContact CB-CG2 3.9Å; K110-P116 HydrophobicContact CB-CB 3.9Å; K110-P116 HydrophobicContact CG-CB 3.73Å; K110-I117 WeakPolarHBondContact CD-O 3.49Å; K110-I117 VanDerWaalsContact CE-O 3.24Å; K110-I117 WeakPolarHBondContact CE-O 3.26Å; K110-I117 PolarHBondContact NZ-O 3.43Å; K110-F118 HydrophobicContact CD-CD1 4.46Å; K110-F118 VanDerWaalsContact CE-CD1 3.47Å; K110-F118 HydrophobicContact CG-CD1 4.06Å; K110-F118 HydrophobicContact CG-CE1 3.91Å; K110-F118 PolarHBondContact NZ-O 2.92Å; K110-E120 WeakPolarHBondContact CE-OE1 3.29Å; K110-E120 IonicContact NZ-OE1 2.86Å; K110-E120 PolarHBondContact NZ-OE1 3.2Å
111Y92.2Very high94.8Very high171 Ų17175.4 Ų75.467%0.67137%0.367SS*.THydrogen-bonded Turntrans-64.2124.1-170.5-175.8-104.1000112.5D88 T113D88-Y111 VanDerWaalsContact OD1-CA 3.31Å; D88-Y111 WeakPolarHBondContact OD1-CA 3.11Å; Y111-T113 VanDerWaalsContact C-N 3.33Å; Y111-T113 WeakPolarHBondContact O-CB 3.13Å; Y111-T113 PolarHBondContact O-N 3.34Å
112K89.4Confident95Very high112 Ų11272.5 Ų72.549%0.48735%0.351SS..THydrogen-bonded Turntrans34.155.6166.1-60.9-170.9172.5-172.90115.5S86 D88 K110S86-K112 WeakPolarHBondContact OG-CD 3.12Å; S86-K112 WeakPolarHBondContact OG-CE 3.49Å; S86-K112 VanDerWaalsContact OG-CG 3.27Å; S86-K112 WeakPolarHBondContact OG-CG 3.37Å; D88-K112 PolarHBondContact OD1-N 2.82Å; K110-K112 PolarHBondContact O-N 3.43Å
113T90.4Very high95.2Very high43 Ų4373.7 Ų73.726%0.26436%0.358SS..  trans-134.8142.5-176.1-177.60000112.1P89 K110 Y111 N115 P116P89-T113 VanDerWaalsContact CD-O 3.32Å; P89-T113 WeakPolarHBondContact CD-O 3.28Å; P89-T113 HydrophobicContact CG-CG2 3.86Å; P89-T113 WeakPolarHBondContact CG-O 3.2Å; K110-T113 HydrophobicContact CB-CG2 3.9Å; Y111-T113 VanDerWaalsContact C-N 3.33Å; Y111-T113 WeakPolarHBondContact O-CB 3.13Å; Y111-T113 PolarHBondContact O-N 3.34Å; T113-N115 VanDerWaalsContact C-N 3.33Å; T113-N115 PolarHBondContact OG1-N 2.88Å; T113-N115 PolarHBondContact OG1-O 2.93Å; T113-P116 HydrophobicContact CG2-CB 3.98Å
114K88.3Confident95.2Very high86 Ų8670.4 Ų70.437%0.37434%0.34SS..SBendtrans-89.7-3.2167.1-65.9-176.9179.7179.40112.8K76 N77 L78 P116K76-K114 CarbonylContact C-O 3.55Å; N77-K114 PolarHBondContact N-O 2.83Å; N77-K114 VanDerWaalsContact N-O 3.15Å; L78-K114 HydrophobicContact CB-CB 4.31Å; L78-K114 WeakPolarHBondContact CG-O 3.19Å; L78-K114 PolarHBondContact N-O 3.32Å; K114-P116 VanDerWaalsContact C-CD 3.42Å
115N92.1Very high95.2Very high78 Ų7868.5 Ų68.542%0.41735%0.345SS..SBendtrans-129.159.4-176.8-56.6-67.8000110.2A75 K76 N77 T113 I117A75-N115 CarbonylContact O-C 3.59Å; A75-N115 VanDerWaalsContact O-C 3.29Å; A75-N115 WeakPolarHBondContact O-CA 3.37Å; K76-N115 VanDerWaalsContact CA-OD1 3.28Å; K76-N115 WeakPolarHBondContact CA-OD1 3.39Å; N77-N115 PolarHBondContact N-OD1 2.81Å; T113-N115 VanDerWaalsContact C-N 3.33Å; T113-N115 PolarHBondContact OG1-N 2.88Å; T113-N115 PolarHBondContact OG1-O 2.93Å; N115-I117 PolarHBondContact O-N 2.91Å
116P94.3Very high94.8Very high1 Ų167.4 Ų67.41%0.00634%0.338CS..  trans-65.7134.7-176.928.1-35.8000111.6S74 A75 L78 P89 K110 T113 K114 F118S74-P116 CarbonylContact C-O 3.56Å; S74-P116 WeakPolarHBondContact CA-O 3.28Å; S74-P116 VanDerWaalsContact CB-O 3.25Å; S74-P116 WeakPolarHBondContact CB-O 3.25Å; A75-P116 HydrophobicContact CB-CG 3.92Å; A75-P116 PolarHBondContact N-O 3.4Å; A75-P116 WeakPolarHBondContact O-CD 3.31Å; L78-P116 HydrophobicContact CD1-CG 3.82Å; P89-P116 HydrophobicContact CB-CB 4.37Å; P89-P116 HydrophobicContact CB-CG 4.11Å; P89-P116 HydrophobicContact CG-CB 3.74Å; P89-P116 HydrophobicContact CG-CG 3.86Å; K110-P116 HydrophobicContact CB-CB 3.9Å; K110-P116 HydrophobicContact CG-CB 3.73Å; T113-P116 HydrophobicContact CG2-CB 3.98Å; K114-P116 VanDerWaalsContact C-CD 3.42Å; P116-F118 HydrophobicContact CB-CD2 4.37Å; P116-F118 HydrophobicContact CB-CE1 4.09Å; P116-F118 HydrophobicContact CB-CE2 3.73Å; P116-F118 HydrophobicContact CB-CZ 3.57Å; P116-F118 HydrophobicContact CG-CD2 4.44Å; P116-F118 HydrophobicContact CG-CE2 3.49Å; P116-F118 VanDerWaalsContact CG-CE2 3.49Å; P116-F118 HydrophobicContact CG-CZ 3.53Å
117I97.1Very high94.4Very high113 Ų11372.9 Ų72.958%0.57936%0.359SS*.EExtended strand (participates in β ladder)trans-98.6114.5164.9-60.1174.6000107.1K110 N115 N119K110-I117 WeakPolarHBondContact CD-O 3.49Å; K110-I117 VanDerWaalsContact CE-O 3.24Å; K110-I117 WeakPolarHBondContact CE-O 3.26Å; K110-I117 PolarHBondContact NZ-O 3.43Å; N115-I117 PolarHBondContact O-N 2.91Å; I117-N119 WeakPolarHBondContact CG2-ND2 3.18Å
118F97.7Very high93.8Very high8 Ų874.1 Ų74.14%0.03537%0.367CS..EExtended strand (participates in β ladder)trans-89.6-60.9178.4-61.7-75.7000110.1L72 N73 A75 A91 T107 K110 P116 E120 V140L72-F118 HydrophobicContact CD2-CB 4.11Å; L72-F118 HydrophobicContact CD2-CD1 4.42Å; L72-F118 HydrophobicContact CD2-CD2 3.57Å; L72-F118 HydrophobicContact CD2-CE2 4.04Å; L72-F118 HydrophobicContact CD2-CG 3.78Å; L72-F118 HydrophobicContact CG-CB 4.09Å; L72-F118 HydrophobicContact CG-CD2 3.79Å; L72-F118 HydrophobicContact CG-CG 4.14Å; L72-F118 WeakPolarHBondContact O-CB 3.3Å; N73-F118 PolarHBondContact O-N 3.02Å; A75-F118 HydrophobicContact CB-CE2 4.44Å; A91-F118 HydrophobicContact CB-CE1 4.45Å; A91-F118 HydrophobicContact CB-CE2 4.45Å; A91-F118 HydrophobicContact CB-CZ 4.18Å; T107-F118 HydrophobicContact CG2-CD1 3.81Å; T107-F118 HydrophobicContact CG2-CE1 4.31Å; T107-F118 HydrophobicContact CG2-CG 4.27Å; T107-F118 WeakPolarHBondContact OG1-CD1 3.44Å; T107-F118 WeakPolarHBondContact OG1-CE1 3.49Å; K110-F118 HydrophobicContact CD-CD1 4.46Å; K110-F118 VanDerWaalsContact CE-CD1 3.47Å; K110-F118 HydrophobicContact CG-CD1 4.06Å; K110-F118 HydrophobicContact CG-CE1 3.91Å; K110-F118 PolarHBondContact NZ-O 2.92Å; P116-F118 HydrophobicContact CB-CD2 4.37Å; P116-F118 HydrophobicContact CB-CE1 4.09Å; P116-F118 HydrophobicContact CB-CE2 3.73Å; P116-F118 HydrophobicContact CB-CZ 3.57Å; P116-F118 HydrophobicContact CG-CD2 4.44Å; P116-F118 HydrophobicContact CG-CE2 3.49Å; P116-F118 VanDerWaalsContact CG-CE2 3.49Å; P116-F118 HydrophobicContact CG-CZ 3.53Å; F118-E120 PolarHBondContact O-N 2.98Å; F118-V140 HydrophobicContact CE2-CG1 4.41Å; F118-V140 HydrophobicContact CZ-CG1 4.06Å
119N98Very high93.1Very high106 Ų10671.8 Ų71.857%0.56737%0.369SS*.EExtended strand (participates in β ladder)trans49.440.4-170.8-67.7-28000112.4L72 N73 I117L72-N119 VanDerWaalsContact O-CA 3.29Å; L72-N119 WeakPolarHBondContact O-CA 3.4Å; L72-N119 PolarHBondContact O-N 3.26Å; N73-N119 PolarHBondContact O-N 3.21Å; N73-N119 VanDerWaalsContact O-N 3.09Å; N73-N119 PolarHBondContact O-OD1 2.89Å; I117-N119 WeakPolarHBondContact CG2-ND2 3.18Å
120E98.6Very high92.7Very high35 Ų3573.9 Ų73.916%0.16437%0.371CS..EExtended strand (participates in β ladder)trans-103.9139.4-179.1-72.3172.4-131.700109.4L72 T107 R108 K110 F118 F122L72-E120 PolarHBondContact N-O 2.96Å; L72-E120 PolarHBondContact O-N 2.78Å; T107-E120 WeakPolarHBondContact CA-OE2 2.97Å; T107-E120 VanDerWaalsContact CB-OE2 3.26Å; T107-E120 WeakPolarHBondContact CB-OE2 3.44Å; R108-E120 PolarHBondContact N-OE1 3.15Å; R108-E120 PolarHBondContact N-OE2 3.31Å; K110-E120 WeakPolarHBondContact CE-OE1 3.29Å; K110-E120 IonicContact NZ-OE1 2.86Å; K110-E120 PolarHBondContact NZ-OE1 3.2Å; F118-E120 PolarHBondContact O-N 2.98Å; E120-F122 HydrophobicContact CB-CE2 3.82Å; E120-F122 HydrophobicContact CB-CZ 3.86Å
121T98.2Very high92.2Very high75 Ų7573.4 Ų73.446%0.4637%0.372SS..EExtended strand (participates in β ladder)trans-110.2133.6-178.8-60.70000109.7K69 V70 V71K69-T121 HydrophobicContact CG-CG2 4.09Å; V70-T121 CarbonylContact O-C 3.54Å; V70-T121 WeakPolarHBondContact O-CA 3.2Å; V71-T121 HydrophobicContact CG2-CG2 4.33Å
122F98.1Very high91.8Very high25 Ų2569.2 Ų69.211%0.1136%0.359CS..EExtended strand (participates in β ladder)trans-125.7140.7177.1-54.4-81.7000109.2K69 V70 L93 C105 T107 E120 F124K69-F122 WeakPolarHBondContact CA-O 3.21Å; V70-F122 PolarHBondContact N-O 2.88Å; V70-F122 PolarHBondContact O-N 2.71Å; L93-F122 HydrophobicContact CD1-CD2 4.36Å; L93-F122 HydrophobicContact CD1-CE2 4.02Å; L93-F122 HydrophobicContact CD1-CZ 4.46Å; L93-F122 HydrophobicContact CD2-CD2 3.76Å; L93-F122 HydrophobicContact CD2-CE2 4.22Å; L93-F122 HydrophobicContact CD2-CG 4.38Å; C105-F122 HydrophobicContact CB-CD1 3.4Å; C105-F122 VanDerWaalsContact CB-CD1 3.4Å; C105-F122 HydrophobicContact CB-CE1 3.73Å; C105-F122 HydrophobicContact CB-CG 4.05Å; T107-F122 HydrophobicContact CG2-CE2 4.01Å; T107-F122 HydrophobicContact CG2-CZ 3.75Å; E120-F122 HydrophobicContact CB-CE2 3.82Å; E120-F122 HydrophobicContact CB-CZ 3.86Å; F122-F124 HydrophobicContact CB-CE2 4.03Å; F122-F124 HydrophobicContact CB-CZ 4.31Å
123N97.1Very high91.7Very high94 Ų9467.3 Ų67.350%0.50335%0.354SS..EExtended strand (participates in β ladder)trans-121.7120.9177.3-65-55.3000107.6T67T67-N123 HydrophobicContact CG2-CB 3.72Å
124F96.2Very high91.9Very high0 Ų065.4 Ų65.40%034%0.342CS..EExtended strand (participates in β ladder)trans-106.2124.7174.6-58.3-84.4000109.3T67 L68 V70 L93 L95 D103 C105 F122 I126 L136T67-F124 CarbonylContact C-O 3.4Å; T67-F124 WeakPolarHBondContact CA-O 3.26Å; L68-F124 HydrophobicContact CB-CB 4.32Å; L68-F124 PolarHBondContact N-O 3.39Å; L68-F124 PolarHBondContact O-N 2.86Å; V70-F124 HydrophobicContact CB-CE2 4.39Å; V70-F124 HydrophobicContact CG2-CD2 4.07Å; V70-F124 HydrophobicContact CG2-CE2 3.87Å; L93-F124 HydrophobicContact CB-CZ 4.17Å; L95-F124 HydrophobicContact CB-CD1 3.95Å; L95-F124 HydrophobicContact CB-CE1 4.22Å; L95-F124 HydrophobicContact CB-CG 4.3Å; L95-F124 HydrophobicContact CD2-CB 3.7Å; L95-F124 HydrophobicContact CD2-CD1 4.3Å; L95-F124 HydrophobicContact CD2-CG 4.13Å; D103-F124 HydrophobicContact CB-CD1 3.77Å; D103-F124 HydrophobicContact CB-CE1 4.07Å; D103-F124 VanDerWaalsContact OD2-CD1 3.32Å; D103-F124 WeakPolarHBondContact OD2-CD1 3.32Å; C105-F124 HydrophobicContact CB-CE1 4.47Å; C105-F124 HydrophobicContact CB-CZ 4.24Å; F122-F124 HydrophobicContact CB-CE2 4.03Å; F122-F124 HydrophobicContact CB-CZ 4.31Å; F124-I126 HydrophobicContact CB-CD1 4.4Å; F124-L136 HydrophobicContact CE2-CD1 3.99Å; F124-L136 HydrophobicContact CZ-CD1 4.31Å
125S94.6Very high92.1Very high82 Ų8263.5 Ų63.557%0.57334%0.335SS*.EExtended strand (participates in β ladder)trans-69130.3169.3-61.50000109.5
126I90.5Very high92.2Very high5 Ų559.9 Ų59.93%0.02632%0.315CS..  trans-106.2103.6178.6-55.8-51.1000108.2F61 Q66 L68 L95 F124 V128 P131 L134F61-I126 HydrophobicContact CD2-CG1 4.45Å; F61-I126 HydrophobicContact CE2-CB 4.15Å; F61-I126 HydrophobicContact CE2-CG1 3.95Å; Q66-I126 PolarHBondContact O-N 2.93Å; L68-I126 HydrophobicContact CB-CD1 3.88Å; L68-I126 HydrophobicContact CB-CG1 3.97Å; L95-I126 HydrophobicContact CD2-CD1 3.48Å; L95-I126 VanDerWaalsContact CD2-CD1 3.48Å; F124-I126 HydrophobicContact CB-CD1 4.4Å; I126-V128 HydrophobicContact CG2-CG2 4.23Å; I126-P131 HydrophobicContact CG2-CB 4.48Å; I126-L134 HydrophobicContact CD1-CD1 3.8Å; I126-L134 HydrophobicContact CG1-CD1 4.27Å; I126-L134 HydrophobicContact CG2-CD1 3.58Å
127E87.7Confident92.1Very high178 Ų17859.8 Ų59.883%0.83232%0.315SS*.  trans-120.624.2-177.7-60.8-176.6176.700112.1
128V84.5Confident91.9Very high36 Ų3654.4 Ų54.422%0.21829%0.287CS..  trans-103.1146.1-178.6-61.80000111.8H97 L102 I126 L134H97-V128 HydrophobicContact CB-CG1 4.49Å; L102-V128 HydrophobicContact CD1-CG1 3.76Å; L102-V128 HydrophobicContact CD2-CG1 4.23Å; I126-V128 HydrophobicContact CG2-CG2 4.23Å; V128-L134 HydrophobicContact CG2-CD1 4.12Å; V128-L134 HydrophobicContact CG2-CD2 3.89Å; V128-L134 HydrophobicContact CG2-CG 4.04Å
129D82.5Confident91.5Very high146 Ų14654.2 Ų54.278%0.78129%0.287SS*.SBendtrans-66.6147.1159.2-60.5-44.9000108.9H97H97-D129 PolarHBondContact CE1-O 3.03Å; H97-D129 PolarHBondContact NE2-O 2.95Å
130E85.2Confident91.1Very high113 Ų11349.2 Ų49.253%0.52826%0.26SS..  trans61.660.5-179.6-53.1175.4172.800114.7H97 E132 N133H97-E130 PolarHBondContact NE2-O 3.09Å; E130-E132 VanDerWaalsContact CA-OE2 3.27Å; E130-E132 WeakPolarHBondContact CA-OE2 3.33Å; E130-E132 PolarHBondContact O-N 2.88Å; E130-N133 WeakPolarHBondContact O-CB 3.07Å; E130-N133 PolarHBondContact O-N 3.18Å; E130-N133 PolarHBondContact OE2-ND2 3.38Å
131P84.2Confident90.3Very high34 Ų3449 Ų4922%0.22127%0.267CS..G310 helixtrans-57.6-16.1179.827.2-38.3000114.8M15 L20 I126 N133 L134M15-P131 VanDerWaalsContact CB-O 3.25Å; M15-P131 WeakPolarHBondContact CB-O 3.43Å; M15-P131 WeakPolarHBondContact CG-O 3.45Å; L20-P131 HydrophobicContact CD1-CB 3.59Å; L20-P131 HydrophobicContact CD1-CG 3.41Å; L20-P131 VanDerWaalsContact CD1-CG 3.41Å; L20-P131 HydrophobicContact CD2-CB 4.17Å; I126-P131 HydrophobicContact CG2-CB 4.48Å; P131-N133 PolarHBondContact O-N 2.86Å; P131-L134 HydrophobicContact CB-CD1 4.02Å; P131-L134 VanDerWaalsContact O-CB 3.28Å; P131-L134 WeakPolarHBondContact O-CB 3.24Å; P131-L134 WeakPolarHBondContact O-CD1 3.42Å; P131-L134 WeakPolarHBondContact O-CG 3.35Å; P131-L134 PolarHBondContact O-N 2.93Å
132E82.4Confident89Confident84 Ų8445.6 Ų45.639%0.39325%0.247SC..G310 helixtrans-61.5-24169.561-92.4-142.100114.1E130 L134E130-E132 VanDerWaalsContact CA-OE2 3.27Å; E130-E132 WeakPolarHBondContact CA-OE2 3.33Å; E130-E132 PolarHBondContact O-N 2.88Å; E132-L134 PolarHBondContact O-N 3.44Å
133N88.8Confident87.6Confident72 Ų7248 Ų4839%0.38527%0.267SS..G310 helixtrans-84.42177.1-73.2-29.4000113.1H97 G98 E130 P131H97-N133 WeakPolarHBondContact NE2-CB 2.98Å; G98-N133 PolarHBondContact N-O 3.35Å; E130-N133 WeakPolarHBondContact O-CB 3.07Å; E130-N133 PolarHBondContact O-N 3.18Å; E130-N133 PolarHBondContact OE2-ND2 3.38Å; P131-N133 PolarHBondContact O-N 2.86Å
134L93.3Very high86.8Confident2 Ų247.3 Ų47.31%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-75.2136.9175.4-69.4166.6000111.5M15 L95 V96 H97 L102 I126 V128 P131 E132M15-L134 HydrophobicContact CB-CB 3.96Å; M15-L134 WeakPolarHBondContact CB-O 3.39Å; M15-L134 PolarHBondContact N-O 3.37Å; L95-L134 HydrophobicContact CD1-CB 4.47Å; L95-L134 HydrophobicContact CD1-CD2 4.07Å; L95-L134 HydrophobicContact CD2-CD2 4.32Å; L95-L134 HydrophobicContact CG-CD2 4.17Å; V96-L134 CarbonylContact O-C 3.53Å; V96-L134 WeakPolarHBondContact O-CA 3.36Å; H97-L134 HydrophobicContact CB-CD2 4.05Å; L102-L134 HydrophobicContact CD1-CD2 3.6Å; I126-L134 HydrophobicContact CD1-CD1 3.8Å; I126-L134 HydrophobicContact CG1-CD1 4.27Å; I126-L134 HydrophobicContact CG2-CD1 3.58Å; V128-L134 HydrophobicContact CG2-CD1 4.12Å; V128-L134 HydrophobicContact CG2-CD2 3.89Å; V128-L134 HydrophobicContact CG2-CG 4.04Å; P131-L134 HydrophobicContact CB-CD1 4.02Å; P131-L134 VanDerWaalsContact O-CB 3.28Å; P131-L134 WeakPolarHBondContact O-CB 3.24Å; P131-L134 WeakPolarHBondContact O-CD1 3.42Å; P131-L134 WeakPolarHBondContact O-CG 3.35Å; P131-L134 PolarHBondContact O-N 2.93Å; E132-L134 PolarHBondContact O-N 3.44Å
135Q93Very high85.9Confident47 Ų4750.6 Ų50.622%0.2229%0.287CS..EExtended strand (participates in β ladder)trans-128130.1174.3-65.2-177.4-34.600109.4L12 F13 T14 V96L12-Q135 HydrophobicContact CD1-CB 3.99Å; L12-Q135 HydrophobicContact CD1-CG 4.37Å; F13-Q135 CarbonylContact O-C 3.51Å; F13-Q135 VanDerWaalsContact O-CA 3.29Å; F13-Q135 WeakPolarHBondContact O-CA 3.28Å; T14-Q135 HydrophobicContact CG2-CG 4.29Å; V96-Q135 HydrophobicContact CB-CB 4.39Å; V96-Q135 PolarHBondContact N-O 3.4Å; V96-Q135 PolarHBondContact O-N 3.41Å
136L93.8Very high84.8Confident1 Ų148 Ų481%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-99.4118.3167.4179.772.4000108.3F13 L57 I59 V70 L93 W94 F124 I138F13-L136 HydrophobicContact CB-CB 4.23Å; F13-L136 HydrophobicContact CD1-CB 4.14Å; F13-L136 PolarHBondContact N-O 3.26Å; F13-L136 PolarHBondContact O-N 3.44Å; L57-L136 HydrophobicContact CD1-CD2 4.25Å; I59-L136 HydrophobicContact CD1-CD2 3.82Å; I59-L136 HydrophobicContact CG1-CD2 4.42Å; V70-L136 HydrophobicContact CB-CD2 4.44Å; V70-L136 HydrophobicContact CG1-CD2 3.95Å; V70-L136 HydrophobicContact CG2-CD1 4.33Å; V70-L136 HydrophobicContact CG2-CD2 3.6Å; L93-L136 HydrophobicContact CB-CD1 4.42Å; W94-L136 WeakPolarHBondContact O-CA 3.11Å; F124-L136 HydrophobicContact CE2-CD1 3.99Å; F124-L136 HydrophobicContact CZ-CD1 4.31Å; L136-I138 HydrophobicContact CD2-CD1 3.89Å; L136-I138 HydrophobicContact CD2-CG1 4.24Å; L136-I138 HydrophobicContact CG-CD1 4.24Å; L136-I138 HydrophobicContact CG-CG1 4.02Å
137V92.4Very high83.9Confident0 Ų055.9 Ų55.90%031%0.309CS..EExtended strand (participates in β ladder)trans-106.4129.9175.9-165.60000108I10 L12 L93 W94 V96 L145 P146 L148I10-V137 HydrophobicContact CG2-CG1 4.13Å; L12-V137 HydrophobicContact CD1-CG2 4Å; L93-V137 CarbonylContact C-O 3.51Å; L93-V137 WeakPolarHBondContact CA-O 3.3Å; W94-V137 HydrophobicContact CB-CB 4.32Å; W94-V137 HydrophobicContact CE3-CB 4.03Å; W94-V137 HydrophobicContact CE3-CG1 4.12Å; W94-V137 HydrophobicContact CZ3-CG1 4.48Å; W94-V137 PolarHBondContact N-O 3.27Å; W94-V137 PolarHBondContact O-N 3.35Å; V96-V137 HydrophobicContact CG2-CG2 4.15Å; V137-L145 HydrophobicContact CB-CD1 4.09Å; V137-L145 HydrophobicContact CG1-CD1 4.2Å; V137-L145 HydrophobicContact CG2-CD1 4.1Å; V137-P146 HydrophobicContact CG1-CG 4.2Å; V137-L148 HydrophobicContact CG1-CD1 4.44Å; V137-L148 HydrophobicContact CG2-CD1 3.54Å
138I92.5Very high82.6Confident0 Ų054.2 Ų54.20%031%0.305CS..EExtended strand (participates in β ladder)trans-127.3125.3179.4-50.6-176.4000107.8I10 L11 L57 L72 A91 T92 L93 L136I10-I138 CarbonylContact C-O 3.57Å; I10-I138 WeakPolarHBondContact CA-O 3.42Å; L11-I138 HydrophobicContact CB-CB 4.36Å; L11-I138 HydrophobicContact CD2-CD1 4.35Å; L11-I138 PolarHBondContact N-O 3.17Å; L11-I138 PolarHBondContact O-N 2.99Å; L57-I138 HydrophobicContact CD1-CD1 3.43Å; L57-I138 VanDerWaalsContact CD1-CD1 3.43Å; L57-I138 HydrophobicContact CD2-CD1 4.46Å; L57-I138 HydrophobicContact CG-CD1 4.48Å; L72-I138 HydrophobicContact CD1-CG2 4.5Å; A91-I138 HydrophobicContact CB-CG2 4.47Å; T92-I138 CarbonylContact O-C 3.55Å; T92-I138 WeakPolarHBondContact O-CA 3.25Å; L93-I138 HydrophobicContact CD1-CG2 4.43Å; L93-I138 HydrophobicContact CD2-CD1 4.25Å; L93-I138 HydrophobicContact CD2-CG1 4.43Å; L93-I138 HydrophobicContact CG-CD1 4.33Å; L93-I138 HydrophobicContact CG-CG1 4.04Å; L93-I138 HydrophobicContact CG-CG2 4.18Å; L136-I138 HydrophobicContact CD2-CD1 3.89Å; L136-I138 HydrophobicContact CD2-CG1 4.24Å; L136-I138 HydrophobicContact CG-CD1 4.24Å; L136-I138 HydrophobicContact CG-CG1 4.02Å
139A90.6Very high82.5Confident4 Ų455.1 Ų55.13%0.03331%0.31CS..EExtended strand (participates in β ladder)trans-123.3130.4172.900000110.8N9 I10 A91 T92 W94N9-A139 CarbonylContact O-C 3.52Å; N9-A139 VanDerWaalsContact O-CA 3.31Å; N9-A139 WeakPolarHBondContact O-CA 3.25Å; I10-A139 HydrophobicContact CG1-CB 3.95Å; A91-A139 CarbonylContact C-O 3.57Å; A91-A139 VanDerWaalsContact CA-O 3.27Å; A91-A139 WeakPolarHBondContact CA-O 3.48Å; T92-A139 PolarHBondContact N-O 2.99Å; T92-A139 PolarHBondContact O-N 2.81Å; W94-A139 HydrophobicContact CH2-CB 3.79Å; W94-A139 HydrophobicContact CZ3-CB 3.54Å
140V89.3Confident82.5Confident1 Ų150.3 Ų50.31%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-99120.5173.3-170.50000109.6N9 I55 A75 L78 P89 A91 F118 G142N9-V140 HydrophobicContact CB-CB 4.2Å; N9-V140 WeakPolarHBondContact CB-O 3.27Å; N9-V140 PolarHBondContact ND2-O 3.45Å; N9-V140 PolarHBondContact O-N 2.96Å; I55-V140 HydrophobicContact CD1-CG2 3.79Å; I55-V140 HydrophobicContact CG1-CG2 4.03Å; A75-V140 HydrophobicContact CB-CG2 4.24Å; L78-V140 HydrophobicContact CD1-CG1 3.6Å; L78-V140 HydrophobicContact CD2-CB 3.83Å; L78-V140 HydrophobicContact CD2-CG1 3.66Å; L78-V140 HydrophobicContact CD2-CG2 4.5Å; L78-V140 HydrophobicContact CG-CG1 4.29Å; P89-V140 HydrophobicContact CB-CG1 4.08Å; A91-V140 HydrophobicContact CB-CG2 4.09Å; F118-V140 HydrophobicContact CE2-CG1 4.41Å; F118-V140 HydrophobicContact CZ-CG1 4.06Å; V140-G142 VanDerWaalsContact C-N 3.33Å
141G81Confident82.4Confident30 Ų3046.8 Ų46.831%0.30927%0.271SS..SBendtrans79.310.3-173.400000114.5K81 F90K81-G141 WeakPolarHBondContact CE-O 3.15Å; K81-G141 PolarHBondContact NZ-O 3.03Å; F90-G141 PolarHBondContact O-N 3.48Å
142G72.2Confident82.3Confident4 Ų447.6 Ų47.64%0.04127%0.274CS..  trans-116.4139.7173.400000111.9T92 V140T92-G142 WeakPolarHBondContact CB-O 3.33Å; T92-G142 PolarHBondContact OG1-O 2.83Å; V140-G142 VanDerWaalsContact C-N 3.33Å
143S68.9Low82.3Confident75 Ų7545.3 Ų45.352%0.52427%0.267SS..  trans-110.4-16.5175.6550000113.5
144S78.7Confident81.8Confident80 Ų8043.5 Ų43.556%0.55926%0.259SS*.SBendtrans-93.3138.1174.654.40000110.8W94 P146W94-S144 VanDerWaalsContact CH2-O 3.29Å; W94-S144 WeakPolarHBondContact CH2-O 3.11Å; W94-S144 WeakPolarHBondContact CZ2-O 3.27Å; S144-P146 WeakPolarHBondContact O-CD 3.31Å
145L77Confident81Confident69 Ų6946.5 Ų46.536%0.36128%0.277SS..PPolyproline II helixtrans-58.6123.3169.8-17866.3000108W94 V96 V137W94-L145 HydrophobicContact CB-CD1 3.72Å; W94-L145 HydrophobicContact CD2-CB 4.38Å; W94-L145 HydrophobicContact CD2-CD1 3.61Å; W94-L145 HydrophobicContact CE3-CD1 3.93Å; W94-L145 HydrophobicContact CG-CD1 3.54Å; W94-L145 HydrophobicContact CZ2-CB 4.42Å; V96-L145 HydrophobicContact CG2-CD1 4.3Å; V96-L145 HydrophobicContact CG2-CD2 4.36Å; V137-L145 HydrophobicContact CB-CD1 4.09Å; V137-L145 HydrophobicContact CG1-CD1 4.2Å; V137-L145 HydrophobicContact CG2-CD1 4.1Å
146P72.5Confident80.1Confident26 Ų2646.5 Ų46.517%0.16928%0.281CS..PPolyproline II helixtrans-57.1142.1174-23.534.4000110.1I10 V137 S144 L148I10-P146 HydrophobicContact CD1-CB 3.79Å; I10-P146 HydrophobicContact CD1-CG 3.42Å; I10-P146 VanDerWaalsContact CD1-CG 3.42Å; I10-P146 HydrophobicContact CG1-CG 3.88Å; I10-P146 HydrophobicContact CG2-CG 4.02Å; V137-P146 HydrophobicContact CG1-CG 4.2Å; S144-P146 WeakPolarHBondContact O-CD 3.31Å; P146-L148 PolarHBondContact O-N 3.31Å
147L72.1Confident79Confident172 Ų17250.3 Ų50.390%0.90130%0.304SS*.  trans-64.4108.9164.7-63.5171.5000106.5
148L60.2Low77.7Confident142 Ų14254.8 Ų54.874%0.74333%0.332SS*.  trans-89.30171.1-67.4179.6000110.5L12 V137 P146L12-L148 HydrophobicContact CD1-CD1 3.78Å; L12-L148 HydrophobicContact CD2-CD1 4.41Å; L12-L148 HydrophobicContact CD2-CD2 4.26Å; V137-L148 HydrophobicContact CG1-CD1 4.44Å; V137-L148 HydrophobicContact CG2-CD1 3.54Å; P146-L148 PolarHBondContact O-N 3.31Å

Retrieved 148 of 148 residues in 76.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).