A0A087WUS8_HUMAN Loading...

Copine 3

AlphaFold DB , UniProt , Accession A0A087WUS8, Species HUMAN (Homo sapiens, Human), Gene CPNE3, Length 135 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
1M42Very low72.9Confident246 Ų24679.6 Ų79.6100%1.21247%0.467SS*.  0105.40-80.9150.6-179.200106.3A3M1-A3 PolarHBondContact O-N 3.4Å
2A46.2Very low74.7Confident86 Ų8676.8 Ų76.871%0.71145%0.448SS*.  trans-65.2124.9175.600000107.4Q4A2-Q4 PolarHBondContact O-N 3.16Å
3A50.3Low76.2Confident89 Ų8971.2 Ų71.274%0.73642%0.415SS*.  trans-64102.8169.800000106.4M1 C5M1-A3 PolarHBondContact O-N 3.4Å; A3-C5 PolarHBondContact O-N 2.96Å
4Q59.8Low77.5Confident133 Ų13368.4 Ų68.462%0.62140%0.402SS*.  trans-63.3105.6167.6-79.8-179.3-9.300106A2 V6A2-Q4 PolarHBondContact O-N 3.16Å; Q4-V6 PolarHBondContact O-N 3.33Å
5C62.9Low78.6Confident89 Ų8964.3 Ų64.360%0.60138%0.378SS*.  trans-66.586.7166.8-70.80000107.1A3A3-C5 PolarHBondContact O-N 2.96Å
6V82.2Confident79.4Confident69 Ų6962.1 Ų62.142%0.41837%0.369SS..EExtended strand (participates in β ladder)trans-98.3118.5174.667.40000108Q4 D66 Y67 Y68Q4-V6 PolarHBondContact O-N 3.33Å; V6-D66 HydrophobicContact CG2-CB 3.65Å; V6-Y67 WeakPolarHBondContact CA-O 3.5Å; V6-Y68 HydrophobicContact CB-CD1 4.35Å; V6-Y68 HydrophobicContact CB-CE1 4.13Å; V6-Y68 HydrophobicContact CG2-CD1 4.19Å; V6-Y68 HydrophobicContact CG2-CE1 3.78Å
7T88.2Confident79.9Confident47 Ų4764 Ų6429%0.28838%0.378SS..EExtended strand (participates in β ladder)trans-110136.4173.3-560000107.7V9 Y67 E134T7-V9 HydrophobicContact CG2-CG2 4.49Å; T7-Y67 PolarHBondContact N-O 2.82Å; T7-Y67 WeakPolarHBondContact O-CA 3.26Å; T7-Y67 WeakPolarHBondContact O-CB 3.36Å; T7-Y67 PolarHBondContact O-N 3.41Å; T7-E134 HydrophobicContact CG2-CB 4.27Å; T7-E134 HydrophobicContact CG2-CG 4.09Å
8K91.1Very high80.3Confident107 Ų10760.8 Ų60.847%0.46536%0.359SS..EExtended strand (participates in β ladder)trans-85.1132.9172.8-75.3-174.3177.6-168.30109.5D66 I135K8-D66 VanDerWaalsContact CE-OD1 3.22Å; K8-D66 WeakPolarHBondContact CE-OD1 3.36Å; K8-D66 VanDerWaalsContact CG-OD1 3.3Å; K8-D66 WeakPolarHBondContact CG-OD1 3.18Å; K8-I135 HydrophobicContact CB-CD1 3.94Å; K8-I135 HydrophobicContact CB-CG1 3.42Å; K8-I135 VanDerWaalsContact CB-CG1 3.42Å; K8-I135 PolarHBondContact O-N 3.35Å
9V92.3Very high80.2Confident0 Ų060.6 Ų60.60%036%0.355CS..EExtended strand (participates in β ladder)trans-125.1126.7-179-172.50000108.9T7 L11 I64 I65 V106 A132 E133T7-V9 HydrophobicContact CG2-CG2 4.49Å; V9-L11 HydrophobicContact CG1-CD2 3.76Å; V9-I64 WeakPolarHBondContact O-CA 3.14Å; V9-I65 PolarHBondContact N-O 3.05Å; V9-I65 PolarHBondContact O-N 2.97Å; V9-V106 HydrophobicContact CB-CG2 4.46Å; V9-V106 HydrophobicContact CG1-CG2 4.01Å; V9-V106 HydrophobicContact CG2-CG2 3.87Å; V9-A132 HydrophobicContact CG1-CB 3.58Å; V9-E133 CarbonylContact C-O 3.56Å; V9-E133 WeakPolarHBondContact CA-O 3.37Å
10A93.7Very high79.8Confident10 Ų1061.4 Ų61.48%0.08336%0.358CS..EExtended strand (participates in β ladder)trans-85.8119.2169.100000109.3T62 F63 A132 E133 I135A10-T62 HydrophobicContact CB-CG2 3.43Å; A10-T62 VanDerWaalsContact CB-CG2 3.43Å; A10-F63 CarbonylContact C-O 3.55Å; A10-F63 WeakPolarHBondContact CA-O 3.28Å; A10-A132 CarbonylContact O-C 3.58Å; A10-A132 WeakPolarHBondContact O-CA 3.44Å; A10-E133 HydrophobicContact CB-CB 4.32Å; A10-E133 PolarHBondContact N-O 3.01Å; A10-E133 PolarHBondContact O-N 3.08Å; A10-I135 HydrophobicContact CB-CG2 3.86Å
11L93.3Very high79.1Confident0 Ų062.3 Ų62.30%036%0.358CS..EExtended strand (participates in β ladder)trans-105.7119.4176.2-52.5179.7000110.8V9 T62 F63 I65 L75 F77 L102 I105 I130 S131 A132V9-L11 HydrophobicContact CG1-CD2 3.76Å; L11-T62 CarbonylContact O-C 3.48Å; L11-T62 WeakPolarHBondContact O-CA 3.33Å; L11-T62 WeakPolarHBondContact O-CG2 3.46Å; L11-F63 HydrophobicContact CB-CB 4.2Å; L11-F63 PolarHBondContact N-O 2.77Å; L11-F63 PolarHBondContact O-N 3.42Å; L11-I65 HydrophobicContact CD1-CD1 3.58Å; L11-I65 HydrophobicContact CD1-CG1 4.4Å; L11-L75 HydrophobicContact CD1-CD1 3.7Å; L11-F77 HydrophobicContact CD1-CZ 4.23Å; L11-L102 HydrophobicContact CD1-CD1 4.12Å; L11-L102 HydrophobicContact CD2-CD1 4.01Å; L11-I105 HydrophobicContact CD1-CD1 4.38Å; L11-I105 HydrophobicContact CD2-CD1 4.47Å; L11-I105 HydrophobicContact CD2-CG2 4.15Å; L11-I130 HydrophobicContact CB-CG2 4.27Å; L11-S131 CarbonylContact C-O 3.46Å; L11-S131 VanDerWaalsContact CA-O 3.26Å; L11-S131 WeakPolarHBondContact CA-O 3.35Å; L11-A132 HydrophobicContact CD2-CB 3.68Å
12N94.4Very high80.1Confident46 Ų4652.7 Ų52.725%0.24631%0.311CS..EExtended strand (participates in β ladder)trans-100.1137.4171.9-72.281.4000109.9T62 I130 S131N12-T62 PolarHBondContact ND2-OG1 2.89Å; N12-T62 WeakPolarHBondContact OD1-CG2 3.27Å; N12-T62 PolarHBondContact OD1-OG1 2.95Å; N12-I130 CarbonylContact O-C 3.58Å; N12-I130 VanDerWaalsContact O-CA 3.28Å; N12-I130 WeakPolarHBondContact O-CA 3.24Å; N12-S131 WeakPolarHBondContact CB-OG 3.43Å; N12-S131 PolarHBondContact N-O 2.93Å; N12-S131 PolarHBondContact O-N 2.62Å
13V94.8Very high80.3Confident3 Ų357.4 Ų57.42%0.01832%0.322CS..EExtended strand (participates in β ladder)trans-120139.1-177.8-177.80000109.9C31 F59 F63 F77 I128 T129 I130V13-C31 HydrophobicContact CG1-CB 4.47Å; V13-F59 HydrophobicContact CB-CD2 4.15Å; V13-F59 HydrophobicContact CG1-CD2 4.02Å; V13-F59 HydrophobicContact CG1-CE2 4.32Å; V13-F59 WeakPolarHBondContact O-CB 3.42Å; V13-F59 WeakPolarHBondContact O-CD2 3.37Å; V13-F59 PolarHBondContact O-N 3.44Å; V13-F63 HydrophobicContact CB-CE2 4.37Å; V13-F63 HydrophobicContact CG2-CD2 3.94Å; V13-F63 HydrophobicContact CG2-CE2 3.63Å; V13-F77 HydrophobicContact CG2-CD1 3.78Å; V13-F77 HydrophobicContact CG2-CE1 3.49Å; V13-F77 VanDerWaalsContact CG2-CE1 3.49Å; V13-F77 HydrophobicContact CG2-CZ 4.45Å; V13-I128 HydrophobicContact CG1-CD1 3.65Å; V13-I128 HydrophobicContact CG1-CG1 3.76Å; V13-T129 WeakPolarHBondContact CA-O 3.21Å; V13-I130 HydrophobicContact CG2-CG1 4.25Å; V13-I130 HydrophobicContact CG2-CG2 4.24Å
14S94.3Very high80.6Confident33 Ų3357.2 Ų57.223%0.23133%0.329CS..EExtended strand (participates in β ladder)trans-142.2149.1170.653.30000109.4P57 I128 T129S14-P57 CarbonylContact C-O 3.56Å; S14-P57 WeakPolarHBondContact CA-O 3.48Å; S14-I128 CarbonylContact O-C 3.26Å; S14-I128 WeakPolarHBondContact O-CA 3.23Å; S14-T129 PolarHBondContact N-O 3.22Å; S14-T129 PolarHBondContact O-N 2.72Å; S14-T129 PolarHBondContact OG-O 2.72Å
15C93Very high80.9Confident6 Ų653.7 Ų53.74%0.04132%0.319CS..EExtended strand (participates in β ladder)trans-119.5157.8173.6-52.40000110.7L18 N56 P57 S127C15-L18 HydrophobicContact CB-CD1 3.99Å; C15-L18 HydrophobicContact CB-CD2 3.7Å; C15-L18 HydrophobicContact CB-CG 3.9Å; C15-N56 CarbonylContact O-C 3.56Å; C15-N56 VanDerWaalsContact O-C 3.26Å; C15-N56 WeakPolarHBondContact O-CA 3.46Å; C15-P57 HydrophobicContact CB-CG 3.7Å; C15-P57 PolarHBondContact N-O 3.3Å; C15-S127 CarbonylContact C-O 3.56Å; C15-S127 WeakPolarHBondContact CA-O 3.02Å; C15-S127 WeakPolarHBondContact CB-O 3.21Å
16A91.9Very high81.4Confident29 Ų2954.5 Ų54.524%0.2431%0.312CS..EExtended strand (participates in β ladder)trans-140.8144.9176.100000110.8L18 N56 G126 S127A16-L18 VanDerWaalsContact C-N 3.28Å; A16-L18 PolarHBondContact O-N 3.01Å; A16-N56 VanDerWaalsContact CA-OD1 3.27Å; A16-N56 WeakPolarHBondContact CA-OD1 3.03Å; A16-G126 WeakPolarHBondContact O-CA 3.49Å; A16-S127 PolarHBondContact N-O 3.29Å; A16-S127 PolarHBondContact O-N 3.46Å; A16-S127 PolarHBondContact O-OG 3.37Å
17N88.7Confident81.2Confident95 Ų9551.2 Ų51.251%0.50829%0.292SS..SBendtrans53.841.5178.2-55-57000113.4L55 N56 K125 G126N17-L55 PolarHBondContact N-O 3.28Å; N17-N56 PolarHBondContact N-OD1 2.8Å; N17-K125 HydrophobicContact CB-CB 4.12Å; N17-K125 WeakPolarHBondContact CB-O 3.38Å; N17-K125 CarbonylContact O-C 3.55Å; N17-K125 VanDerWaalsContact O-C 3.3Å; N17-G126 WeakPolarHBondContact O-CA 3.47Å; N17-G126 PolarHBondContact O-N 3.16Å
18L85.8Confident81.1Confident7 Ų749.7 Ų49.74%0.03728%0.283CS..  trans-55.6150.3176.5-67.6-179.6000111.3C15 A16 D20 P29 L55 P57 V79 L95 L115C15-L18 HydrophobicContact CB-CD1 3.99Å; C15-L18 HydrophobicContact CB-CD2 3.7Å; C15-L18 HydrophobicContact CB-CG 3.9Å; A16-L18 VanDerWaalsContact C-N 3.28Å; A16-L18 PolarHBondContact O-N 3.01Å; L18-D20 PolarHBondContact O-N 2.74Å; L18-P29 HydrophobicContact CD1-CB 3.44Å; L18-P29 VanDerWaalsContact CD1-CB 3.44Å; L18-P29 HydrophobicContact CD1-CG 3.69Å; L18-L55 PolarHBondContact N-O 3.28Å; L18-P57 HydrophobicContact CD1-CG 3.64Å; L18-V79 HydrophobicContact CD1-CG1 4.22Å; L18-V79 HydrophobicContact CD2-CG1 4.27Å; L18-L95 HydrophobicContact CD1-CD1 4.15Å; L18-L115 HydrophobicContact CD2-CD1 3.31Å
19L79.4Confident80.9Confident57 Ų5744.6 Ų44.630%0.29826%0.26SS..  trans-65.4119.2177.8-17576.3000108.6K21 S27 L95 M117L19-K21 HydrophobicContact CD2-CD 4.37Å; L19-K21 HydrophobicContact CD2-CG 3.78Å; L19-K21 HydrophobicContact CG-CG 4.19Å; L19-K21 PolarHBondContact O-N 2.87Å; L19-S27 PolarHBondContact O-OG 2.95Å; L19-L95 HydrophobicContact CB-CD2 4.39Å; L19-L95 VanDerWaalsContact O-CD2 3.26Å; L19-L95 WeakPolarHBondContact O-CD2 3.26Å; L19-M117 HydrophobicContact CD2-CE 3.73Å
20D72.6Confident80.9Confident75 Ų7545.7 Ų45.740%0.40127%0.266SS..  trans-82107.5172.1-159.2-1.3000108L18 D22 L55L18-D20 PolarHBondContact O-N 2.74Å; D20-D22 PolarHBondContact OD1-N 3Å; D20-L55 HydrophobicContact CB-CD1 4.32Å; D20-L55 HydrophobicContact CB-CD2 3.96Å
21K65.4Low80.8Confident82 Ų8245.2 Ų45.236%0.35726%0.262SS..  trans-92.8-13.2176.2-78.3-166.3178.4-172.80112.7L19 D93L19-K21 HydrophobicContact CD2-CD 4.37Å; L19-K21 HydrophobicContact CD2-CG 3.78Å; L19-K21 HydrophobicContact CG-CG 4.19Å; L19-K21 PolarHBondContact O-N 2.87Å; K21-D93 HydrophobicContact CD-CB 4.05Å; K21-D93 WeakPolarHBondContact CD-OD1 3.41Å; K21-D93 WeakPolarHBondContact CD-OD2 3.47Å; K21-D93 IonicContact NZ-OD1 2.69Å; K21-D93 PolarHBondContact NZ-OD1 3.26Å; K21-D93 IonicContact NZ-OD2 2.74Å
22D61Low80.8Confident44 Ų4445.2 Ų45.224%0.23526%0.262CS..  trans-85129.6-177-81-13.1000112D20 G24 S25D20-D22 PolarHBondContact OD1-N 3Å; D22-G24 VanDerWaalsContact C-N 3.34Å; D22-G24 PolarHBondContact O-N 2.82Å; D22-S25 WeakPolarHBondContact CB-O 3.32Å; D22-S25 WeakPolarHBondContact CB-OG 3.36Å; D22-S25 VanDerWaalsContact CG-OG 3.27Å; D22-S25 PolarHBondContact OD2-OG 2.84Å
23I52.1Low80.8Confident184 Ų18443 Ų4394%0.94425%0.251SS*.SBendtrans-8977.3171.4-55.6171.7000107.6
24G55.3Low80.7Confident85 Ų8544.7 Ų44.788%0.87626%0.258SS*.SBendtrans128.1-9.6170.600000116.8D22D22-G24 VanDerWaalsContact C-N 3.34Å; D22-G24 PolarHBondContact O-N 2.82Å
25S66.3Low80.6Confident59 Ų5943.4 Ų43.441%0.41325%0.248SC..SBendtrans-121.8171.6166.841.90000110D22D22-S25 WeakPolarHBondContact CB-O 3.32Å; D22-S25 WeakPolarHBondContact CB-OG 3.36Å; D22-S25 VanDerWaalsContact CG-OG 3.27Å; D22-S25 PolarHBondContact OD2-OG 2.84Å
26K73.4Confident80.6Confident106 Ų10643.7 Ų43.746%0.46125%0.249SC..  trans-100150.7169.9-71.6174.7-179.4177.90108.3N53 L55K26-N53 HydrophobicContact CB-CB 4.04Å; K26-N53 HydrophobicContact CD-CB 4.42Å; K26-N53 WeakPolarHBondContact CD-O 3.25Å; K26-N53 PolarHBondContact N-OD1 2.92Å; K26-N53 VanDerWaalsContact N-OD1 3.16Å; K26-N53 PolarHBondContact O-OD1 3.42Å; K26-L55 HydrophobicContact CG-CG 4.42Å
27S78.6Confident80.1Confident0 Ų044.4 Ų44.40%025%0.251CS..  trans-52.4147.5171.4-61.90000114.2L19 P29 N53 C54 D81L19-S27 PolarHBondContact O-OG 2.95Å; S27-P29 WeakPolarHBondContact O-CD 3.44Å; S27-N53 PolarHBondContact O-N 3.36Å; S27-C54 PolarHBondContact O-N 3.43Å; S27-D81 WeakPolarHBondContact CA-OD1 3.31Å; S27-D81 WeakPolarHBondContact CA-OD2 3.44Å; S27-D81 VanDerWaalsContact CB-CG 3.45Å; S27-D81 WeakPolarHBondContact CB-OD1 3.28Å; S27-D81 WeakPolarHBondContact CB-OD2 3.47Å; S27-D81 PolarHBondContact OG-OD2 3.46Å
28D84.9Confident79.6Confident15 Ų1544.8 Ų44.88%0.0826%0.261CS..  trans-108.871174.1-76.75000110.5R50 I51 K52 N53 D81 I82D28-R50 HydrophobicContact CB-CG 3.99Å; D28-R50 VanDerWaalsContact CB-NE 3.33Å; D28-R50 IonicContact OD2-CZ 3.36Å; D28-R50 IonicContact OD2-NE 2.7Å; D28-R50 PolarHBondContact OD2-NE 2.88Å; D28-R50 IonicContact OD2-NH2 3.17Å; D28-R50 PolarHBondContact OD2-NH2 2.83Å; D28-I51 CarbonylContact C-O 3.56Å; D28-I51 VanDerWaalsContact CA-O 3.24Å; D28-I51 WeakPolarHBondContact CA-O 3.28Å; D28-K52 WeakPolarHBondContact OD1-CA 3Å; D28-K52 WeakPolarHBondContact OD2-CG 3.38Å; D28-N53 PolarHBondContact OD1-N 3.41Å; D28-D81 PolarHBondContact N-OD1 2.74Å; D28-I82 WeakPolarHBondContact CB-O 3.49Å; D28-I82 PolarHBondContact O-N 3.24Å; D28-I82 VanDerWaalsContact O-N 3.12Å
29P88.5Confident78.8Confident0 Ų047.4 Ų47.40%029%0.289CS..EExtended strand (participates in β ladder)trans-68.2142.9-171.528.6-40.5000114L18 S27 I51 C54 P57 V79 Y80 L95L18-P29 HydrophobicContact CD1-CB 3.44Å; L18-P29 VanDerWaalsContact CD1-CB 3.44Å; L18-P29 HydrophobicContact CD1-CG 3.69Å; S27-P29 WeakPolarHBondContact O-CD 3.44Å; P29-I51 WeakPolarHBondContact CD-O 3.34Å; P29-I51 PolarHBondContact O-N 3.44Å; P29-C54 VanDerWaalsContact CD-O 3.25Å; P29-C54 WeakPolarHBondContact CD-O 3.26Å; P29-C54 WeakPolarHBondContact CG-O 3.5Å; P29-P57 HydrophobicContact CB-CB 4.41Å; P29-P57 HydrophobicContact CB-CG 3.92Å; P29-P57 HydrophobicContact CG-CB 3.58Å; P29-P57 HydrophobicContact CG-CG 3.41Å; P29-P57 VanDerWaalsContact CG-CG 3.41Å; P29-V79 HydrophobicContact CB-CG1 4.12Å; P29-Y80 CarbonylContact C-O 3.3Å; P29-Y80 WeakPolarHBondContact CA-O 3.26Å; P29-L95 HydrophobicContact CB-CD1 4.14Å
30L90.8Very high78.5Confident23 Ų2353.2 Ų53.212%0.1232%0.315CS..EExtended strand (participates in β ladder)trans-131.3137.6169.5178.4147.5000109.2V32 R47 T48 R50 V79 Y80 I82L30-V32 HydrophobicContact CD2-CG2 3.5Å; L30-R47 HydrophobicContact CD2-CB 4.29Å; L30-T48 WeakPolarHBondContact CD1-O 3.33Å; L30-R50 HydrophobicContact CD1-CB 4.32Å; L30-V79 WeakPolarHBondContact O-CA 3.47Å; L30-Y80 PolarHBondContact N-O 2.76Å; L30-Y80 PolarHBondContact O-N 2.95Å; L30-I82 HydrophobicContact CB-CD1 4.4Å; L30-I82 HydrophobicContact CB-CG1 3.87Å; L30-I82 HydrophobicContact CD1-CG1 4.43Å
31C92.4Very high79.1Confident0 Ų056.5 Ų56.50%033%0.328CS..EExtended strand (participates in β ladder)trans-105.2132.9176.6-178.30000110.9V13 R47 T48 F59 G78V13-C31 HydrophobicContact CG1-CB 4.47Å; C31-R47 CarbonylContact O-C 3.47Å; C31-R47 WeakPolarHBondContact O-CA 3.47Å; C31-T48 HydrophobicContact CB-CG2 3.84Å; C31-T48 PolarHBondContact N-OG1 2.82Å; C31-T48 PolarHBondContact O-N 2.76Å; C31-T48 PolarHBondContact O-OG1 3.41Å; C31-F59 HydrophobicContact CB-CD2 4.1Å; C31-F59 HydrophobicContact CB-CE1 4.45Å; C31-F59 HydrophobicContact CB-CE2 3.59Å; C31-F59 HydrophobicContact CB-CZ 3.79Å; C31-G78 CarbonylContact C-O 3.55Å; C31-G78 WeakPolarHBondContact CA-O 3.43Å
32V92.8Very high80.2Confident1 Ų156.9 Ų56.91%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-112.6129174.8-175.20000108.7L30 F34 E44 R47 F77 G78 Y80L30-V32 HydrophobicContact CD2-CG2 3.5Å; V32-F34 HydrophobicContact CB-CE2 3.81Å; V32-F34 HydrophobicContact CB-CZ 4.14Å; V32-F34 HydrophobicContact CG1-CD2 4.13Å; V32-F34 HydrophobicContact CG1-CE1 4.05Å; V32-F34 HydrophobicContact CG1-CE2 3.47Å; V32-F34 VanDerWaalsContact CG1-CE2 3.47Å; V32-F34 HydrophobicContact CG1-CZ 3.41Å; V32-F34 VanDerWaalsContact CG1-CZ 3.41Å; V32-E44 HydrophobicContact CG1-CG 3.64Å; V32-R47 HydrophobicContact CB-CG 4.44Å; V32-R47 HydrophobicContact CG1-CG 4.07Å; V32-R47 HydrophobicContact CG2-CG 3.97Å; V32-F77 CarbonylContact O-C 3.59Å; V32-F77 WeakPolarHBondContact O-CA 3.22Å; V32-G78 PolarHBondContact N-O 2.75Å; V32-G78 PolarHBondContact O-N 2.83Å; V32-Y80 HydrophobicContact CB-CE2 4.15Å; V32-Y80 HydrophobicContact CG2-CD2 3.86Å; V32-Y80 HydrophobicContact CG2-CE2 3.86Å
33L94.2Very high81.6Confident0 Ų059.8 Ų59.80%034%0.336CS..EExtended strand (participates in β ladder)trans-96.4127.7174.2171.666.8000110.1V45 E46 F63 I65 L75 F77L33-V45 HydrophobicContact CB-CB 4.48Å; L33-V45 HydrophobicContact CD2-CB 3.86Å; L33-V45 HydrophobicContact CD2-CG1 4.01Å; L33-V45 HydrophobicContact CD2-CG2 4.15Å; L33-V45 HydrophobicContact CG-CB 4.01Å; L33-V45 HydrophobicContact CG-CG2 4.12Å; L33-V45 PolarHBondContact O-N 3.07Å; L33-E46 PolarHBondContact N-O 3.23Å; L33-F63 HydrophobicContact CB-CD1 3.96Å; L33-F63 HydrophobicContact CB-CD2 4.46Å; L33-F63 HydrophobicContact CB-CE1 3.7Å; L33-F63 HydrophobicContact CB-CE2 4.24Å; L33-F63 HydrophobicContact CB-CG 4.29Å; L33-F63 HydrophobicContact CB-CZ 3.82Å; L33-F63 HydrophobicContact CD2-CB 3.71Å; L33-F63 HydrophobicContact CD2-CD1 3.77Å; L33-F63 HydrophobicContact CD2-CD2 4.26Å; L33-F63 HydrophobicContact CD2-CE1 4.39Å; L33-F63 HydrophobicContact CD2-CG 3.66Å; L33-I65 HydrophobicContact CD2-CD1 3.54Å; L33-I65 HydrophobicContact CD2-CG1 4.3Å; L33-L75 HydrophobicContact CD1-CB 4.16Å; L33-L75 HydrophobicContact CD1-CD2 3.84Å; L33-L75 HydrophobicContact CD1-CG 4.5Å; L33-F77 HydrophobicContact CD1-CD1 3.99Å; L33-F77 HydrophobicContact CD1-CE1 3.57Å; L33-F77 HydrophobicContact CD1-CE2 4.21Å; L33-F77 HydrophobicContact CD1-CG 4.49Å; L33-F77 HydrophobicContact CD1-CZ 3.68Å; L33-F77 HydrophobicContact CG-CE1 4.5Å
34F93.8Very high83.5Confident37 Ų3754.9 Ų54.916%0.16231%0.309CS..EExtended strand (participates in β ladder)trans-114.4143.3169.8-57.2-88.7000110.3V32 W42 Y43 E44 L75 K76V32-F34 HydrophobicContact CB-CE2 3.81Å; V32-F34 HydrophobicContact CB-CZ 4.14Å; V32-F34 HydrophobicContact CG1-CD2 4.13Å; V32-F34 HydrophobicContact CG1-CE1 4.05Å; V32-F34 HydrophobicContact CG1-CE2 3.47Å; V32-F34 VanDerWaalsContact CG1-CE2 3.47Å; V32-F34 HydrophobicContact CG1-CZ 3.41Å; V32-F34 VanDerWaalsContact CG1-CZ 3.41Å; F34-W42 HydrophobicContact CB-CB 4.42Å; F34-W42 HydrophobicContact CB-CE3 3.93Å; F34-Y43 CarbonylContact C-O 3.53Å; F34-Y43 WeakPolarHBondContact CA-O 3.37Å; F34-E44 HydrophobicContact CD1-CB 3.99Å; F34-E44 HydrophobicContact CE1-CB 3.85Å; F34-E44 HydrophobicContact CE1-CG 4.2Å; F34-L75 CarbonylContact O-C 3.52Å; F34-L75 WeakPolarHBondContact O-CA 3.22Å; F34-K76 HydrophobicContact CB-CB 4.15Å; F34-K76 HydrophobicContact CD2-CG 4.47Å; F34-K76 PolarHBondContact N-O 2.84Å; F34-K76 PolarHBondContact O-N 2.87Å
35L92.4Very high85.2Confident7 Ų753.4 Ų53.44%0.03728%0.283CS..EExtended strand (participates in β ladder)trans-122.3142.6176.917454.6000109.6Y43 V45 I65 Q73 K74 L75L35-Y43 HydrophobicContact CB-CE1 4.07Å; L35-Y43 HydrophobicContact CB-CE2 3.95Å; L35-Y43 HydrophobicContact CD2-CE2 4.2Å; L35-Y43 WeakPolarHBondContact CD2-OH 3.48Å; L35-Y43 HydrophobicContact CG-CE1 3.98Å; L35-Y43 HydrophobicContact CG-CE2 4.26Å; L35-Y43 VanDerWaalsContact CG-OH 3.25Å; L35-Y43 WeakPolarHBondContact CG-OH 3.34Å; L35-Y43 PolarHBondContact N-O 2.78Å; L35-Y43 WeakPolarHBondContact O-CD1 2.87Å; L35-Y43 VanDerWaalsContact O-CE1 3.26Å; L35-Y43 WeakPolarHBondContact O-CE1 3.47Å; L35-Y43 PolarHBondContact O-N 3.35Å; L35-V45 HydrophobicContact CB-CG2 3.34Å; L35-V45 HydrophobicContact CD2-CG2 4.22Å; L35-V45 HydrophobicContact CG-CG2 4.44Å; L35-I65 HydrophobicContact CD2-CG2 4.1Å; L35-Q73 HydrophobicContact CD1-CB 3.89Å; L35-Q73 HydrophobicContact CD1-CG 4.35Å; L35-K74 CarbonylContact C-O 3.57Å; L35-K74 WeakPolarHBondContact CA-O 3.3Å; L35-K74 VanDerWaalsContact CD1-O 3.28Å; L35-K74 WeakPolarHBondContact CD1-O 3.4Å; L35-L75 HydrophobicContact CB-CD2 4.25Å; L35-L75 HydrophobicContact CD1-CD2 3.75Å; L35-L75 HydrophobicContact CG-CD2 4.44Å
36N91.6Very high86.4Confident11 Ų1153.9 Ų53.96%0.05928%0.279CS..EExtended strand (participates in β ladder)trans-138.4105.8173-176-9.8000109.3S38 G39 Q41 W42 K74N36-S38 PolarHBondContact OD1-N 2.84Å; N36-G39 WeakPolarHBondContact OD1-CA 3.35Å; N36-G39 PolarHBondContact OD1-N 2.93Å; N36-Q41 VanDerWaalsContact CG-O 3.29Å; N36-Q41 PolarHBondContact OD1-O 3.29Å; N36-W42 HydrophobicContact CB-CD2 3.74Å; N36-W42 HydrophobicContact CB-CE3 3.48Å; N36-W42 VanDerWaalsContact CB-CE3 3.48Å; N36-W42 HydrophobicContact CB-CG 4.4Å; N36-W42 HydrophobicContact CB-CH2 4.12Å; N36-W42 HydrophobicContact CB-CZ2 4.34Å; N36-W42 HydrophobicContact CB-CZ3 3.67Å; N36-K74 HydrophobicContact CB-CB 4.31Å; N36-K74 PolarHBondContact N-O 2.79Å; N36-K74 WeakPolarHBondContact O-CB 3.49Å; N36-K74 PolarHBondContact O-N 2.86Å
37T82.5Confident87.3Confident44 Ų4453.3 Ų53.327%0.2727%0.273SS..SBendtrans-98.1-27.8-176.5-51.50000112.3V71 Q73T37-V71 HydrophobicContact CG2-CG1 3.39Å; T37-Q73 HydrophobicContact CG2-CG 4.07Å
38S77.1Confident87.9Confident103 Ų10353.7 Ų53.772%0.7228%0.276SS*.SBendtrans-116.56.1-170.5-50.70000114N36 Q40N36-S38 PolarHBondContact OD1-N 2.84Å; S38-Q40 PolarHBondContact O-N 3.14Å; S38-Q40 VanDerWaalsContact O-N 3.08Å
39G68.8Low88.2Confident62 Ų6256.2 Ų56.264%0.63929%0.287SS*.SBendtrans74.7-13.8179.100000115.8N36N36-G39 WeakPolarHBondContact OD1-CA 3.35Å; N36-G39 PolarHBondContact OD1-N 2.93Å
40Q73.9Confident88.1Confident180 Ų18059.9 Ų59.984%0.84130%0.301SS*.SBendtrans-85-33.5-171.9-70.2-174-17.200114.4S38S38-Q40 PolarHBondContact O-N 3.14Å; S38-Q40 VanDerWaalsContact O-N 3.08Å
41Q84.8Confident88Confident144 Ų14460.5 Ų60.567%0.67330%0.304SS*.  trans-155.8147.6-177.560.5-175-13.300112.1N36N36-Q41 VanDerWaalsContact CG-O 3.29Å; N36-Q41 PolarHBondContact OD1-O 3.29Å
42W89.3Confident87.6Confident90 Ų9067.4 Ų67.434%0.34133%0.334SS..  trans-86.3128.2166.1-65.897.3000108.3F34 N36 K74 K76 E99F34-W42 HydrophobicContact CB-CB 4.42Å; F34-W42 HydrophobicContact CB-CE3 3.93Å; N36-W42 HydrophobicContact CB-CD2 3.74Å; N36-W42 HydrophobicContact CB-CE3 3.48Å; N36-W42 VanDerWaalsContact CB-CE3 3.48Å; N36-W42 HydrophobicContact CB-CG 4.4Å; N36-W42 HydrophobicContact CB-CH2 4.12Å; N36-W42 HydrophobicContact CB-CZ2 4.34Å; N36-W42 HydrophobicContact CB-CZ3 3.67Å; W42-K74 HydrophobicContact CH2-CB 3.74Å; W42-K74 HydrophobicContact CZ3-CB 4.11Å; W42-K76 HydrophobicContact CD2-CB 4.43Å; W42-K76 HydrophobicContact CD2-CD 4.38Å; W42-K76 HydrophobicContact CE3-CB 3.76Å; W42-K76 HydrophobicContact CH2-CB 3.68Å; W42-K76 HydrophobicContact CZ2-CB 4.35Å; W42-K76 HydrophobicContact CZ2-CD 4.41Å; W42-K76 HydrophobicContact CZ3-CB 3.36Å; W42-E99 HydrophobicContact CH2-CG 4Å; W42-E99 HydrophobicContact CZ2-CG 4.41Å
43Y89.4Confident87Confident105 Ų10571.6 Ų71.641%0.41236%0.356SS..EExtended strand (participates in β ladder)trans-115.7142.5170.162.2-87.5000109.6F34 L35 V45F34-Y43 CarbonylContact C-O 3.53Å; F34-Y43 WeakPolarHBondContact CA-O 3.37Å; L35-Y43 HydrophobicContact CB-CE1 4.07Å; L35-Y43 HydrophobicContact CB-CE2 3.95Å; L35-Y43 HydrophobicContact CD2-CE2 4.2Å; L35-Y43 WeakPolarHBondContact CD2-OH 3.48Å; L35-Y43 HydrophobicContact CG-CE1 3.98Å; L35-Y43 HydrophobicContact CG-CE2 4.26Å; L35-Y43 VanDerWaalsContact CG-OH 3.25Å; L35-Y43 WeakPolarHBondContact CG-OH 3.34Å; L35-Y43 PolarHBondContact N-O 2.78Å; L35-Y43 WeakPolarHBondContact O-CD1 2.87Å; L35-Y43 VanDerWaalsContact O-CE1 3.26Å; L35-Y43 WeakPolarHBondContact O-CE1 3.47Å; L35-Y43 PolarHBondContact O-N 3.35Å; Y43-V45 HydrophobicContact CD2-CG2 4.26Å; Y43-V45 HydrophobicContact CE2-CG2 3.94Å; Y43-V45 PolarHBondContact O-N 3.41Å
44E92Very high86.6Confident81 Ų8173.2 Ų73.238%0.37937%0.367SS..EExtended strand (participates in β ladder)trans-69.7124.7173.6-171.9179.6117.600109V32 F34 R47V32-E44 HydrophobicContact CG1-CG 3.64Å; F34-E44 HydrophobicContact CD1-CB 3.99Å; F34-E44 HydrophobicContact CE1-CB 3.85Å; F34-E44 HydrophobicContact CE1-CG 4.2Å; E44-R47 IonicContact OE1-CZ 2.64Å; E44-R47 IonicContact OE1-NE 3.65Å; E44-R47 PolarHBondContact OE1-NE 2.9Å; E44-R47 IonicContact OE1-NH2 2.93Å; E44-R47 PolarHBondContact OE1-NH2 2.75Å; E44-R47 IonicContact OE2-CZ 2.8Å; E44-R47 IonicContact OE2-NE 3.92Å; E44-R47 PolarHBondContact OE2-NE 2.86Å; E44-R47 VanDerWaalsContact OE2-NE 3.17Å; E44-R47 IonicContact OE2-NH2 2.62Å; E44-R47 PolarHBondContact OE2-NH2 2.92Å
45V90.9Very high86.1Confident54 Ų5473.3 Ų73.333%0.32737%0.369SS..EExtended strand (participates in β ladder)trans-86.1-58.5176-178.20000108.8L33 L35 Y43L33-V45 HydrophobicContact CB-CB 4.48Å; L33-V45 HydrophobicContact CD2-CB 3.86Å; L33-V45 HydrophobicContact CD2-CG1 4.01Å; L33-V45 HydrophobicContact CD2-CG2 4.15Å; L33-V45 HydrophobicContact CG-CB 4.01Å; L33-V45 HydrophobicContact CG-CG2 4.12Å; L33-V45 PolarHBondContact O-N 3.07Å; L35-V45 HydrophobicContact CB-CG2 3.34Å; L35-V45 HydrophobicContact CD2-CG2 4.22Å; L35-V45 HydrophobicContact CG-CG2 4.44Å; Y43-V45 HydrophobicContact CD2-CG2 4.26Å; Y43-V45 HydrophobicContact CE2-CG2 3.94Å; Y43-V45 PolarHBondContact O-N 3.41Å
46E91.9Very high85.9Confident69 Ų6977 Ų7732%0.32239%0.389SS..EExtended strand (participates in β ladder)trans-164.3168-176-158.5172.535.500110.3L33 K61 F63L33-E46 PolarHBondContact N-O 3.23Å; E46-K61 WeakPolarHBondContact OE1-CE 3.4Å; E46-K61 IonicContact OE1-NZ 3.15Å; E46-K61 WeakPolarHBondContact OE2-CE 3.32Å; E46-K61 IonicContact OE2-NZ 3.36Å; E46-K61 PolarHBondContact OE2-NZ 2.76Å; E46-F63 HydrophobicContact CB-CD1 3.82Å; E46-F63 HydrophobicContact CB-CE1 3.84Å; E46-F63 HydrophobicContact CG-CE1 4.48Å
47R92.3Very high85.8Confident93 Ų9376.4 Ų76.435%0.35139%0.386SS..EExtended strand (participates in β ladder)trans-121.5147.6176.8-53.3-173.2-174.7-176-1.2110.2L30 C31 V32 E44L30-R47 HydrophobicContact CD2-CB 4.29Å; C31-R47 CarbonylContact O-C 3.47Å; C31-R47 WeakPolarHBondContact O-CA 3.47Å; V32-R47 HydrophobicContact CB-CG 4.44Å; V32-R47 HydrophobicContact CG1-CG 4.07Å; V32-R47 HydrophobicContact CG2-CG 3.97Å; E44-R47 IonicContact OE1-CZ 2.64Å; E44-R47 IonicContact OE1-NE 3.65Å; E44-R47 PolarHBondContact OE1-NE 2.9Å; E44-R47 IonicContact OE1-NH2 2.93Å; E44-R47 PolarHBondContact OE1-NH2 2.75Å; E44-R47 IonicContact OE2-CZ 2.8Å; E44-R47 IonicContact OE2-NE 3.92Å; E44-R47 PolarHBondContact OE2-NE 2.86Å; E44-R47 VanDerWaalsContact OE2-NE 3.17Å; E44-R47 IonicContact OE2-NH2 2.62Å; E44-R47 PolarHBondContact OE2-NH2 2.92Å
48T92.2Very high86.2Confident9 Ų981.6 Ų81.66%0.05541%0.407CS..  trans-78.7174.3169.766.60000111.2L30 C31 F59 K61 F63L30-T48 WeakPolarHBondContact CD1-O 3.33Å; C31-T48 HydrophobicContact CB-CG2 3.84Å; C31-T48 PolarHBondContact N-OG1 2.82Å; C31-T48 PolarHBondContact O-N 2.76Å; C31-T48 PolarHBondContact O-OG1 3.41Å; T48-F59 HydrophobicContact CG2-CB 3.8Å; T48-F59 HydrophobicContact CG2-CD1 4.02Å; T48-F59 HydrophobicContact CG2-CD2 4.21Å; T48-F59 HydrophobicContact CG2-CG 3.75Å; T48-F59 WeakPolarHBondContact OG1-CD1 3.45Å; T48-F59 WeakPolarHBondContact OG1-CE1 3.37Å; T48-K61 HydrophobicContact CG2-CB 4.32Å; T48-F63 HydrophobicContact CG2-CE1 4.31Å; T48-F63 HydrophobicContact CG2-CE2 3.77Å; T48-F63 HydrophobicContact CG2-CZ 3.38Å
49E90.1Very high87Confident68 Ų6877.1 Ų77.132%0.31838%0.375SS..PPolyproline II helixtrans-63.9154.9163.171-85.3-151.800111.9I51 F59 S60 K61E49-I51 HydrophobicContact CG-CG1 4.21Å; E49-F59 WeakPolarHBondContact O-CD1 3.35Å; E49-F59 WeakPolarHBondContact O-CE1 3.46Å; E49-S60 WeakPolarHBondContact OE1-CA 3.19Å; E49-S60 WeakPolarHBondContact OE1-CB 3.13Å; E49-S60 PolarHBondContact OE1-N 2.82Å; E49-K61 WeakPolarHBondContact OE2-CB 3.45Å; E49-K61 PolarHBondContact OE2-N 2.82Å
50R87.5Confident88Confident77 Ų7779 Ų7929%0.29138%0.378SS..PPolyproline II helixtrans-81.7125.1166.9172.8-175.9169.6165.71.4108.7D28 L30 I82 N84D28-R50 HydrophobicContact CB-CG 3.99Å; D28-R50 VanDerWaalsContact CB-NE 3.33Å; D28-R50 IonicContact OD2-CZ 3.36Å; D28-R50 IonicContact OD2-NE 2.7Å; D28-R50 PolarHBondContact OD2-NE 2.88Å; D28-R50 IonicContact OD2-NH2 3.17Å; D28-R50 PolarHBondContact OD2-NH2 2.83Å; L30-R50 HydrophobicContact CD1-CB 4.32Å; R50-I82 HydrophobicContact CG-CB 4.43Å; R50-I82 PolarHBondContact NE-O 2.75Å; R50-I82 PolarHBondContact NH1-O 2.86Å; R50-I82 PolarHBondContact NH2-O 2.77Å; R50-N84 PolarHBondContact NH1-O 2.82Å
51I88.1Confident88.8Confident35 Ų3574.1 Ų74.118%0.17935%0.354CS..PPolyproline II helixtrans-101.5116.6175.2-56.2-166.9000108.6D28 P29 E49 C54 P57 Q58 F59D28-I51 CarbonylContact C-O 3.56Å; D28-I51 VanDerWaalsContact CA-O 3.24Å; D28-I51 WeakPolarHBondContact CA-O 3.28Å; P29-I51 WeakPolarHBondContact CD-O 3.34Å; P29-I51 PolarHBondContact O-N 3.44Å; E49-I51 HydrophobicContact CG-CG1 4.21Å; I51-C54 HydrophobicContact CB-CB 4.42Å; I51-C54 HydrophobicContact CG2-CB 3.51Å; I51-P57 HydrophobicContact CB-CB 4.07Å; I51-P57 HydrophobicContact CD1-CB 3.68Å; I51-P57 HydrophobicContact CG1-CB 4.17Å; I51-P57 HydrophobicContact CG2-CB 4.49Å; I51-Q58 WeakPolarHBondContact CD1-O 3.41Å; I51-F59 HydrophobicContact CD1-CD1 3.9Å; I51-F59 HydrophobicContact CD1-CE1 4.21Å; I51-F59 HydrophobicContact CG1-CD1 4.04Å; I51-F59 HydrophobicContact CG1-CE1 4.07Å
52K83.8Confident89.1Confident146 Ų14669.3 Ų69.364%0.63533%0.334SS*.THydrogen-bonded Turntrans-79.5141.2-175-57.7-170.1177.4-178.50113.1D28 C54D28-K52 WeakPolarHBondContact OD1-CA 3Å; D28-K52 WeakPolarHBondContact OD2-CG 3.38Å; K52-C54 VanDerWaalsContact C-N 3.33Å; K52-C54 PolarHBondContact O-N 2.73Å
53N81.5Confident89.3Confident88 Ų8865 Ų6547%0.47132%0.318SS..THydrogen-bonded Turntrans49.447.4176.7-75.7-73.5000113.4K26 S27 D28K26-N53 HydrophobicContact CB-CB 4.04Å; K26-N53 HydrophobicContact CD-CB 4.42Å; K26-N53 WeakPolarHBondContact CD-O 3.25Å; K26-N53 PolarHBondContact N-OD1 2.92Å; K26-N53 VanDerWaalsContact N-OD1 3.16Å; K26-N53 PolarHBondContact O-OD1 3.42Å; S27-N53 PolarHBondContact O-N 3.36Å; D28-N53 PolarHBondContact OD1-N 3.41Å
54C83.8Confident89.4Confident34 Ų3464.9 Ų64.923%0.2332%0.324CS..  trans-137.7112.3-173.6-165.90000112.9S27 P29 I51 K52 N56S27-C54 PolarHBondContact O-N 3.43Å; P29-C54 VanDerWaalsContact CD-O 3.25Å; P29-C54 WeakPolarHBondContact CD-O 3.26Å; P29-C54 WeakPolarHBondContact CG-O 3.5Å; I51-C54 HydrophobicContact CB-CB 4.42Å; I51-C54 HydrophobicContact CG2-CB 3.51Å; K52-C54 VanDerWaalsContact C-N 3.33Å; K52-C54 PolarHBondContact O-N 2.73Å; C54-N56 VanDerWaalsContact C-N 3.28Å; C54-N56 PolarHBondContact O-N 3.05Å; C54-N56 VanDerWaalsContact SG-C 3.51Å; C54-N56 PolarHBondContact SG-O 2.97Å
55L83.5Confident89.3Confident40 Ų4061.5 Ų61.521%0.20931%0.308CS..SBendtrans-81.3-7.8175.4-59.5176.5000113.6N17 L18 D20 K26 P57N17-L55 PolarHBondContact N-O 3.28Å; L18-L55 PolarHBondContact N-O 3.28Å; D20-L55 HydrophobicContact CB-CD1 4.32Å; D20-L55 HydrophobicContact CB-CD2 3.96Å; K26-L55 HydrophobicContact CG-CG 4.42Å; L55-P57 VanDerWaalsContact C-CD 3.44Å
56N89.9Confident89.3Confident83 Ų8361.8 Ų61.844%0.44431%0.308SS..SBendtrans-129.160.6178.3-53.8-71.6000110.3C15 A16 N17 C54 Q58C15-N56 CarbonylContact O-C 3.56Å; C15-N56 VanDerWaalsContact O-C 3.26Å; C15-N56 WeakPolarHBondContact O-CA 3.46Å; A16-N56 VanDerWaalsContact CA-OD1 3.27Å; A16-N56 WeakPolarHBondContact CA-OD1 3.03Å; N17-N56 PolarHBondContact N-OD1 2.8Å; C54-N56 VanDerWaalsContact C-N 3.28Å; C54-N56 PolarHBondContact O-N 3.05Å; C54-N56 VanDerWaalsContact SG-C 3.51Å; C54-N56 PolarHBondContact SG-O 2.97Å; N56-Q58 PolarHBondContact O-N 2.74Å
57P88.3Confident89.2Confident0 Ų060.8 Ų60.80%030%0.301CS..  trans-65.5131.9-174.930.7-38.8000110.9S14 C15 L18 P29 I51 L55 F59S14-P57 CarbonylContact C-O 3.56Å; S14-P57 WeakPolarHBondContact CA-O 3.48Å; C15-P57 HydrophobicContact CB-CG 3.7Å; C15-P57 PolarHBondContact N-O 3.3Å; L18-P57 HydrophobicContact CD1-CG 3.64Å; P29-P57 HydrophobicContact CB-CB 4.41Å; P29-P57 HydrophobicContact CB-CG 3.92Å; P29-P57 HydrophobicContact CG-CB 3.58Å; P29-P57 HydrophobicContact CG-CG 3.41Å; P29-P57 VanDerWaalsContact CG-CG 3.41Å; I51-P57 HydrophobicContact CB-CB 4.07Å; I51-P57 HydrophobicContact CD1-CB 3.68Å; I51-P57 HydrophobicContact CG1-CB 4.17Å; I51-P57 HydrophobicContact CG2-CB 4.49Å; L55-P57 VanDerWaalsContact C-CD 3.44Å; P57-F59 HydrophobicContact CB-CE1 4.04Å; P57-F59 HydrophobicContact CB-CE2 4.19Å; P57-F59 HydrophobicContact CB-CZ 3.79Å; P57-F59 HydrophobicContact CG-CE2 4.05Å; P57-F59 HydrophobicContact CG-CZ 3.82Å
58Q91.9Very high89Confident152 Ų15259.9 Ų59.971%0.7130%0.298SS*.EExtended strand (participates in β ladder)trans-108.1106.7165.9-68.7-173.6-39.100107.7I51 N56I51-Q58 WeakPolarHBondContact CD1-O 3.41Å; N56-Q58 PolarHBondContact O-N 2.74Å
59F92.6Very high88.5Confident9 Ų966.4 Ų66.44%0.03933%0.326CS..EExtended strand (participates in β ladder)trans-77.7126.5179.7-54.6-73.3000109.1V13 C31 T48 E49 I51 P57 K61V13-F59 HydrophobicContact CB-CD2 4.15Å; V13-F59 HydrophobicContact CG1-CD2 4.02Å; V13-F59 HydrophobicContact CG1-CE2 4.32Å; V13-F59 WeakPolarHBondContact O-CB 3.42Å; V13-F59 WeakPolarHBondContact O-CD2 3.37Å; V13-F59 PolarHBondContact O-N 3.44Å; C31-F59 HydrophobicContact CB-CD2 4.1Å; C31-F59 HydrophobicContact CB-CE1 4.45Å; C31-F59 HydrophobicContact CB-CE2 3.59Å; C31-F59 HydrophobicContact CB-CZ 3.79Å; T48-F59 HydrophobicContact CG2-CB 3.8Å; T48-F59 HydrophobicContact CG2-CD1 4.02Å; T48-F59 HydrophobicContact CG2-CD2 4.21Å; T48-F59 HydrophobicContact CG2-CG 3.75Å; T48-F59 WeakPolarHBondContact OG1-CD1 3.45Å; T48-F59 WeakPolarHBondContact OG1-CE1 3.37Å; E49-F59 WeakPolarHBondContact O-CD1 3.35Å; E49-F59 WeakPolarHBondContact O-CE1 3.46Å; I51-F59 HydrophobicContact CD1-CD1 3.9Å; I51-F59 HydrophobicContact CD1-CE1 4.21Å; I51-F59 HydrophobicContact CG1-CD1 4.04Å; I51-F59 HydrophobicContact CG1-CE1 4.07Å; P57-F59 HydrophobicContact CB-CE1 4.04Å; P57-F59 HydrophobicContact CB-CE2 4.19Å; P57-F59 HydrophobicContact CB-CZ 3.79Å; P57-F59 HydrophobicContact CG-CE2 4.05Å; P57-F59 HydrophobicContact CG-CZ 3.82Å; F59-K61 VanDerWaalsContact C-N 3.32Å
60S90.2Very high88.3Confident101 Ų10169.8 Ų69.871%0.70634%0.342SS*.EExtended strand (participates in β ladder)trans-78.3-24174.4-55.90000111E49 T62E49-S60 WeakPolarHBondContact OE1-CA 3.19Å; E49-S60 WeakPolarHBondContact OE1-CB 3.13Å; E49-S60 PolarHBondContact OE1-N 2.82Å; S60-T62 PolarHBondContact O-N 2.92Å
61K90.4Very high88.2Confident79 Ų7968.9 Ų68.934%0.34335%0.345SS..EExtended strand (participates in β ladder)trans-65.9125.7173.5-174.171.3174.5-175.70110.9E46 T48 E49 F59E46-K61 WeakPolarHBondContact OE1-CE 3.4Å; E46-K61 IonicContact OE1-NZ 3.15Å; E46-K61 WeakPolarHBondContact OE2-CE 3.32Å; E46-K61 IonicContact OE2-NZ 3.36Å; E46-K61 PolarHBondContact OE2-NZ 2.76Å; T48-K61 HydrophobicContact CG2-CB 4.32Å; E49-K61 WeakPolarHBondContact OE2-CB 3.45Å; E49-K61 PolarHBondContact OE2-N 2.82Å; F59-K61 VanDerWaalsContact C-N 3.32Å
62T92.2Very high88.2Confident42 Ų4272.2 Ų72.226%0.25837%0.366SS..EExtended strand (participates in β ladder)trans-104.1131.3173.6-52.40000109.5A10 L11 N12 S60A10-T62 HydrophobicContact CB-CG2 3.43Å; A10-T62 VanDerWaalsContact CB-CG2 3.43Å; L11-T62 CarbonylContact O-C 3.48Å; L11-T62 WeakPolarHBondContact O-CA 3.33Å; L11-T62 WeakPolarHBondContact O-CG2 3.46Å; N12-T62 PolarHBondContact ND2-OG1 2.89Å; N12-T62 WeakPolarHBondContact OD1-CG2 3.27Å; N12-T62 PolarHBondContact OD1-OG1 2.95Å; S60-T62 PolarHBondContact O-N 2.92Å
63F92.4Very high88.5Confident0 Ų065.5 Ų65.50%034%0.338CS..EExtended strand (participates in β ladder)trans-86.7124.5175.6-56.3-76.1000110.2A10 L11 V13 L33 E46 T48 F77A10-F63 CarbonylContact C-O 3.55Å; A10-F63 WeakPolarHBondContact CA-O 3.28Å; L11-F63 HydrophobicContact CB-CB 4.2Å; L11-F63 PolarHBondContact N-O 2.77Å; L11-F63 PolarHBondContact O-N 3.42Å; V13-F63 HydrophobicContact CB-CE2 4.37Å; V13-F63 HydrophobicContact CG2-CD2 3.94Å; V13-F63 HydrophobicContact CG2-CE2 3.63Å; L33-F63 HydrophobicContact CB-CD1 3.96Å; L33-F63 HydrophobicContact CB-CD2 4.46Å; L33-F63 HydrophobicContact CB-CE1 3.7Å; L33-F63 HydrophobicContact CB-CE2 4.24Å; L33-F63 HydrophobicContact CB-CG 4.29Å; L33-F63 HydrophobicContact CB-CZ 3.82Å; L33-F63 HydrophobicContact CD2-CB 3.71Å; L33-F63 HydrophobicContact CD2-CD1 3.77Å; L33-F63 HydrophobicContact CD2-CD2 4.26Å; L33-F63 HydrophobicContact CD2-CE1 4.39Å; L33-F63 HydrophobicContact CD2-CG 3.66Å; E46-F63 HydrophobicContact CB-CD1 3.82Å; E46-F63 HydrophobicContact CB-CE1 3.84Å; E46-F63 HydrophobicContact CG-CE1 4.48Å; T48-F63 HydrophobicContact CG2-CE1 4.31Å; T48-F63 HydrophobicContact CG2-CE2 3.77Å; T48-F63 HydrophobicContact CG2-CZ 3.38Å; F63-F77 HydrophobicContact CD2-CE1 4.39Å; F63-F77 HydrophobicContact CE2-CE1 4.36Å
64I92.4Very high89.1Confident103 Ų10365.4 Ų65.453%0.52833%0.333SS..EExtended strand (participates in β ladder)trans-99.7119.6177.8-58.9173.1000108.5V9 I135V9-I64 WeakPolarHBondContact O-CA 3.14Å; I64-I135 HydrophobicContact CD1-CD1 4.32Å; I64-I135 HydrophobicContact CG1-CD1 4.39Å; I64-I135 HydrophobicContact CG2-CD1 3.86Å
65I90.4Very high89.6Confident10 Ų1063.8 Ų63.85%0.05132%0.322CS..EExtended strand (participates in β ladder)trans-131138.3-178.9-49.4178.1000109.6V9 L11 L33 L35 Y67 L75 L102V9-I65 PolarHBondContact N-O 3.05Å; V9-I65 PolarHBondContact O-N 2.97Å; L11-I65 HydrophobicContact CD1-CD1 3.58Å; L11-I65 HydrophobicContact CD1-CG1 4.4Å; L33-I65 HydrophobicContact CD2-CD1 3.54Å; L33-I65 HydrophobicContact CD2-CG1 4.3Å; L35-I65 HydrophobicContact CD2-CG2 4.1Å; I65-Y67 PolarHBondContact O-N 2.85Å; I65-L75 HydrophobicContact CD1-CD1 4.39Å; I65-L75 HydrophobicContact CD1-CD2 3.54Å; I65-L102 HydrophobicContact CB-CD2 4.42Å; I65-L102 HydrophobicContact CG2-CD2 3.94Å
66D90.4Very high90.1Very high60 Ų6063.8 Ų63.832%0.32132%0.32SS..EExtended strand (participates in β ladder)trans-73.3116169.3-65-55.2000109.7V6 K8 Y68 Q73V6-D66 HydrophobicContact CG2-CB 3.65Å; K8-D66 VanDerWaalsContact CE-OD1 3.22Å; K8-D66 WeakPolarHBondContact CE-OD1 3.36Å; K8-D66 VanDerWaalsContact CG-OD1 3.3Å; K8-D66 WeakPolarHBondContact CG-OD1 3.18Å; D66-Y68 HydrophobicContact CB-CD2 4.47Å; D66-Y68 HydrophobicContact CB-CE2 3.67Å; D66-Y68 WeakPolarHBondContact O-CD2 3.14Å; D66-Y68 WeakPolarHBondContact O-CE2 3.13Å; D66-Q73 PolarHBondContact O-NE2 3.19Å; D66-Q73 PolarHBondContact O-OE1 2.83Å
67Y88.9Confident90.3Very high48 Ų4859.8 Ų59.819%0.18830%0.299CS..EExtended strand (participates in β ladder)trans-88.2119175.2174.8-122.2000110.5V6 T7 I65 F69 L102 V106V6-Y67 WeakPolarHBondContact CA-O 3.5Å; T7-Y67 PolarHBondContact N-O 2.82Å; T7-Y67 WeakPolarHBondContact O-CA 3.26Å; T7-Y67 WeakPolarHBondContact O-CB 3.36Å; T7-Y67 PolarHBondContact O-N 3.41Å; I65-Y67 PolarHBondContact O-N 2.85Å; Y67-F69 HydrophobicContact CE1-CB 4.49Å; Y67-L102 HydrophobicContact CD2-CB 4.36Å; Y67-L102 HydrophobicContact CD2-CD2 3.73Å; Y67-L102 HydrophobicContact CD2-CG 3.68Å; Y67-L102 HydrophobicContact CE2-CG 4.44Å; Y67-L102 HydrophobicContact CG-CD2 4.24Å; Y67-L102 HydrophobicContact CG-CG 4.37Å; Y67-V106 HydrophobicContact CE1-CG1 4.32Å; Y67-V106 HydrophobicContact CG-CG2 4.43Å
68Y88.6Confident90.5Very high74 Ų7459.8 Ų59.829%0.2930%0.299SS..EExtended strand (participates in β ladder)trans-106.8107.5175.8-60.7-87.4000109.1V6 D66 E70 V71V6-Y68 HydrophobicContact CB-CD1 4.35Å; V6-Y68 HydrophobicContact CB-CE1 4.13Å; V6-Y68 HydrophobicContact CG2-CD1 4.19Å; V6-Y68 HydrophobicContact CG2-CE1 3.78Å; D66-Y68 HydrophobicContact CB-CD2 4.47Å; D66-Y68 HydrophobicContact CB-CE2 3.67Å; D66-Y68 WeakPolarHBondContact O-CD2 3.14Å; D66-Y68 WeakPolarHBondContact O-CE2 3.13Å; Y68-E70 PolarHBondContact O-N 2.88Å; Y68-E70 VanDerWaalsContact O-N 3.16Å; Y68-V71 PolarHBondContact O-N 3.37Å; Y68-V71 VanDerWaalsContact O-O 3.06Å
69F81.7Confident90.4Very high146 Ų14652.6 Ų52.664%0.6427%0.265SS*.THydrogen-bonded Turntrans-53.7-37-178.9152.2-102.6000113.6Y67 V71Y67-F69 HydrophobicContact CE1-CB 4.49Å; F69-V71 VanDerWaalsContact C-N 3.26Å; F69-V71 PolarHBondContact O-N 2.91Å
70E84.9Confident90.2Very high139 Ų13953.6 Ų53.665%0.6527%0.269SS*.THydrogen-bonded Turntrans-79.9-7.1-177.2-58.6-176.5106.300113.3Y68Y68-E70 PolarHBondContact O-N 2.88Å; Y68-E70 VanDerWaalsContact O-N 3.16Å
71V85.8Confident90Very high58 Ų5848.8 Ų48.835%0.35224%0.235SC..SBendtrans-120.6127.9-172-1710000111T37 Y68 F69 Q73T37-V71 HydrophobicContact CG2-CG1 3.39Å; Y68-V71 PolarHBondContact O-N 3.37Å; Y68-V71 VanDerWaalsContact O-O 3.06Å; F69-V71 VanDerWaalsContact C-N 3.26Å; F69-V71 PolarHBondContact O-N 2.91Å; V71-Q73 HydrophobicContact CG1-CG 4.41Å; V71-Q73 PolarHBondContact O-N 3.04Å
72V88.3Confident89.4Confident104 Ų10445.9 Ų45.963%0.6322%0.223SC*.  trans-76.790.4174.9-176.30000109.7K74 T101V72-K74 HydrophobicContact CG1-CG 4.46Å; V72-K74 PolarHBondContact O-N 2.75Å; V72-T101 HydrophobicContact CG1-CG2 4.18Å
73Q90.7Very high88.2Confident6 Ų647.2 Ų47.23%0.02823%0.229CC..  trans-82.3108.3174.4-69.5170.8-89.100110.4L35 T37 D66 V71 T101 L102L35-Q73 HydrophobicContact CD1-CB 3.89Å; L35-Q73 HydrophobicContact CD1-CG 4.35Å; T37-Q73 HydrophobicContact CG2-CG 4.07Å; D66-Q73 PolarHBondContact O-NE2 3.19Å; D66-Q73 PolarHBondContact O-OE1 2.83Å; V71-Q73 HydrophobicContact CG1-CG 4.41Å; V71-Q73 PolarHBondContact O-N 3.04Å; Q73-T101 CarbonylContact O-C 3.54Å; Q73-T101 WeakPolarHBondContact O-CA 3.4Å; Q73-L102 HydrophobicContact CB-CB 3.98Å; Q73-L102 HydrophobicContact CB-CD2 4.39Å; Q73-L102 PolarHBondContact O-N 3.25Å
74K93.6Very high86.5Confident85 Ų8550.6 Ų50.637%0.3725%0.247SC..EExtended strand (participates in β ladder)trans-86.3133.2174-61-173.7174.5-167.50110.1L35 N36 W42 V72 E99 T101L35-K74 CarbonylContact C-O 3.57Å; L35-K74 WeakPolarHBondContact CA-O 3.3Å; L35-K74 VanDerWaalsContact CD1-O 3.28Å; L35-K74 WeakPolarHBondContact CD1-O 3.4Å; N36-K74 HydrophobicContact CB-CB 4.31Å; N36-K74 PolarHBondContact N-O 2.79Å; N36-K74 WeakPolarHBondContact O-CB 3.49Å; N36-K74 PolarHBondContact O-N 2.86Å; W42-K74 HydrophobicContact CH2-CB 3.74Å; W42-K74 HydrophobicContact CZ3-CB 4.11Å; V72-K74 HydrophobicContact CG1-CG 4.46Å; V72-K74 PolarHBondContact O-N 2.75Å; K74-E99 IonicContact NZ-OE1 3.91Å; K74-T101 HydrophobicContact CG-CG2 4.34Å
75L94.1Very high84.6Confident0 Ų055.4 Ų55.40%026%0.264CS..EExtended strand (participates in β ladder)trans-115.6138.9177.5-61.1169.3000109.1L11 L33 F34 L35 I65 F77 E99 C100 L102 I105L11-L75 HydrophobicContact CD1-CD1 3.7Å; L33-L75 HydrophobicContact CD1-CB 4.16Å; L33-L75 HydrophobicContact CD1-CD2 3.84Å; L33-L75 HydrophobicContact CD1-CG 4.5Å; F34-L75 CarbonylContact O-C 3.52Å; F34-L75 WeakPolarHBondContact O-CA 3.22Å; L35-L75 HydrophobicContact CB-CD2 4.25Å; L35-L75 HydrophobicContact CD1-CD2 3.75Å; L35-L75 HydrophobicContact CG-CD2 4.44Å; I65-L75 HydrophobicContact CD1-CD1 4.39Å; I65-L75 HydrophobicContact CD1-CD2 3.54Å; L75-F77 HydrophobicContact CB-CE2 3.86Å; L75-F77 HydrophobicContact CB-CZ 4.38Å; L75-F77 HydrophobicContact CD1-CE2 4.46Å; L75-F77 HydrophobicContact CD1-CZ 4.41Å; L75-E99 WeakPolarHBondContact O-CA 3.47Å; L75-C100 CarbonylContact C-O 3.59Å; L75-C100 WeakPolarHBondContact CA-O 3.39Å; L75-C100 PolarHBondContact N-O 3.11Å; L75-C100 PolarHBondContact O-N 2.64Å; L75-L102 HydrophobicContact CD1-CB 3.77Å; L75-L102 HydrophobicContact CD1-CD1 3.89Å; L75-L102 HydrophobicContact CD1-CG 4.37Å; L75-L102 HydrophobicContact CG-CB 4.28Å; L75-I105 HydrophobicContact CD1-CD1 3.56Å
76K93.8Very high82.5Confident40 Ų4058 Ų5817%0.17428%0.281CS..EExtended strand (participates in β ladder)trans-129.6122.8175.2174174.7-178.8165.60108.7F34 W42 E97 C98F34-K76 HydrophobicContact CB-CB 4.15Å; F34-K76 HydrophobicContact CD2-CG 4.47Å; F34-K76 PolarHBondContact N-O 2.84Å; F34-K76 PolarHBondContact O-N 2.87Å; W42-K76 HydrophobicContact CD2-CB 4.43Å; W42-K76 HydrophobicContact CD2-CD 4.38Å; W42-K76 HydrophobicContact CE3-CB 3.76Å; W42-K76 HydrophobicContact CH2-CB 3.68Å; W42-K76 HydrophobicContact CZ2-CB 4.35Å; W42-K76 HydrophobicContact CZ2-CD 4.41Å; W42-K76 HydrophobicContact CZ3-CB 3.36Å; K76-E97 WeakPolarHBondContact CE-OE1 3.38Å; K76-E97 WeakPolarHBondContact CE-OE2 3.41Å; K76-E97 IonicContact NZ-OE1 3.2Å; K76-E97 PolarHBondContact NZ-OE1 3.49Å; K76-E97 IonicContact NZ-OE2 2.73Å; K76-E97 PolarHBondContact NZ-OE2 3.39Å; K76-C98 CarbonylContact C-O 3.56Å; K76-C98 WeakPolarHBondContact CA-O 3.39Å
77F94.3Very high80.6Confident0 Ų062.9 Ų62.90%031%0.305CS..EExtended strand (participates in β ladder)trans-103.7114178.3-62.8-91.1000107.6L11 V13 V32 L33 F63 L75 E97 C98 I105 I128 I130L11-F77 HydrophobicContact CD1-CZ 4.23Å; V13-F77 HydrophobicContact CG2-CD1 3.78Å; V13-F77 HydrophobicContact CG2-CE1 3.49Å; V13-F77 VanDerWaalsContact CG2-CE1 3.49Å; V13-F77 HydrophobicContact CG2-CZ 4.45Å; V32-F77 CarbonylContact O-C 3.59Å; V32-F77 WeakPolarHBondContact O-CA 3.22Å; L33-F77 HydrophobicContact CD1-CD1 3.99Å; L33-F77 HydrophobicContact CD1-CE1 3.57Å; L33-F77 HydrophobicContact CD1-CE2 4.21Å; L33-F77 HydrophobicContact CD1-CG 4.49Å; L33-F77 HydrophobicContact CD1-CZ 3.68Å; L33-F77 HydrophobicContact CG-CE1 4.5Å; F63-F77 HydrophobicContact CD2-CE1 4.39Å; F63-F77 HydrophobicContact CE2-CE1 4.36Å; L75-F77 HydrophobicContact CB-CE2 3.86Å; L75-F77 HydrophobicContact CB-CZ 4.38Å; L75-F77 HydrophobicContact CD1-CE2 4.46Å; L75-F77 HydrophobicContact CD1-CZ 4.41Å; F77-E97 CarbonylContact O-C 3.55Å; F77-E97 WeakPolarHBondContact O-CA 3.46Å; F77-E97 WeakPolarHBondContact O-CB 3.49Å; F77-C98 PolarHBondContact N-O 2.86Å; F77-C98 PolarHBondContact O-N 3.37Å; F77-I105 HydrophobicContact CE2-CD1 4.2Å; F77-I105 HydrophobicContact CZ-CD1 4.34Å; F77-I128 HydrophobicContact CB-CD1 3.46Å; F77-I128 VanDerWaalsContact CB-CD1 3.46Å; F77-I128 HydrophobicContact CD1-CD1 4.4Å; F77-I128 HydrophobicContact CG-CD1 3.99Å; F77-I130 HydrophobicContact CD1-CG1 4.45Å; F77-I130 HydrophobicContact CD2-CD1 4.27Å; F77-I130 HydrophobicContact CD2-CG1 4.13Å; F77-I130 HydrophobicContact CE1-CG1 4.21Å; F77-I130 HydrophobicContact CE1-CG2 4.33Å; F77-I130 HydrophobicContact CE2-CD1 4.34Å; F77-I130 HydrophobicContact CE2-CG1 3.89Å; F77-I130 HydrophobicContact CE2-CG2 4.39Å; F77-I130 HydrophobicContact CG-CG1 4.4Å; F77-I130 HydrophobicContact CZ-CG1 3.94Å; F77-I130 HydrophobicContact CZ-CG2 3.83Å
78G92.7Very high78.6Confident0 Ų067.1 Ų67.10%033%0.326CS..EExtended strand (participates in β ladder)trans-102.6126.7174.100000110.1C31 V32 Y80C31-G78 CarbonylContact C-O 3.55Å; C31-G78 WeakPolarHBondContact CA-O 3.43Å; V32-G78 PolarHBondContact N-O 2.75Å; V32-G78 PolarHBondContact O-N 2.83Å; G78-Y80 WeakPolarHBondContact O-CD2 3.21Å
79V91.2Very high76.9Confident0 Ų066.8 Ų66.80%033%0.329CS..EExtended strand (participates in β ladder)trans-104.9126.5176.1-170.80000108.5L18 P29 L30 L95 G96 L115 I128L18-V79 HydrophobicContact CD1-CG1 4.22Å; L18-V79 HydrophobicContact CD2-CG1 4.27Å; P29-V79 HydrophobicContact CB-CG1 4.12Å; L30-V79 WeakPolarHBondContact O-CA 3.47Å; V79-L95 HydrophobicContact CB-CB 4.29Å; V79-L95 HydrophobicContact CG1-CB 4.08Å; V79-L95 HydrophobicContact CG1-CD1 4.11Å; V79-L95 PolarHBondContact O-N 3.4Å; V79-G96 PolarHBondContact N-O 3.2Å; V79-G96 PolarHBondContact O-N 2.86Å; V79-L115 HydrophobicContact CG2-CD1 4.23Å; V79-L115 HydrophobicContact CG2-CD2 3.9Å; V79-I128 HydrophobicContact CG2-CD1 4.35Å
80Y88Confident75.4Confident30 Ų3065.1 Ų65.112%0.11834%0.336CS..EExtended strand (participates in β ladder)trans-123.5137.7-177.6-60.1-98.3000108.5P29 L30 V32 G78 L89 F94P29-Y80 CarbonylContact C-O 3.3Å; P29-Y80 WeakPolarHBondContact CA-O 3.26Å; L30-Y80 PolarHBondContact N-O 2.76Å; L30-Y80 PolarHBondContact O-N 2.95Å; V32-Y80 HydrophobicContact CB-CE2 4.15Å; V32-Y80 HydrophobicContact CG2-CD2 3.86Å; V32-Y80 HydrophobicContact CG2-CE2 3.86Å; G78-Y80 WeakPolarHBondContact O-CD2 3.21Å; Y80-L89 HydrophobicContact CD1-CD2 4.27Å; Y80-L89 HydrophobicContact CG-CD2 4.39Å; Y80-F94 AromaticContact CD1-CD2 3.9Å; Y80-F94 HydrophobicContact CD1-CD2 3.9Å; Y80-F94 AromaticContact CE1-CD2 3.53Å; Y80-F94 HydrophobicContact CE1-CD2 3.53Å; Y80-F94 HydrophobicContact CE1-CE2 4.04Å; Y80-F94 HydrophobicContact CE2-CE2 4.49Å; Y80-F94 AromaticContact CZ-CD2 3.91Å; Y80-F94 AromaticContact CZ-CE2 3.92Å
81D84.5Confident73.7Confident0 Ų064.3 Ų64.30%034%0.336CS..EExtended strand (participates in β ladder)trans-83.4119.5166.5-157.4-5.7000107.4S27 D28 D83 D92 D93 L95S27-D81 WeakPolarHBondContact CA-OD1 3.31Å; S27-D81 WeakPolarHBondContact CA-OD2 3.44Å; S27-D81 VanDerWaalsContact CB-CG 3.45Å; S27-D81 WeakPolarHBondContact CB-OD1 3.28Å; S27-D81 WeakPolarHBondContact CB-OD2 3.47Å; S27-D81 PolarHBondContact OG-OD2 3.46Å; D28-D81 PolarHBondContact N-OD1 2.74Å; D81-D83 PolarHBondContact O-N 2.92Å; D81-D92 WeakPolarHBondContact O-CB 3.22Å; D81-D93 HydrophobicContact CB-CB 3.83Å; D81-D93 WeakPolarHBondContact CB-O 3.5Å; D81-D93 PolarHBondContact N-O 3.36Å; D81-D93 PolarHBondContact O-N 2.96Å; D81-D93 VanDerWaalsContact O-N 3.08Å; D81-L95 HydrophobicContact CB-CD1 3.76Å; D81-L95 HydrophobicContact CB-CD2 3.97Å; D81-L95 HydrophobicContact CB-CG 3.75Å
82I78.9Confident72.7Confident18 Ų1862.3 Ų62.39%0.09232%0.324CS..  trans-97.284174.8-47-61.6000106.1D28 L30 R50 D92D28-I82 WeakPolarHBondContact CB-O 3.49Å; D28-I82 PolarHBondContact O-N 3.24Å; D28-I82 VanDerWaalsContact O-N 3.12Å; L30-I82 HydrophobicContact CB-CD1 4.4Å; L30-I82 HydrophobicContact CB-CG1 3.87Å; L30-I82 HydrophobicContact CD1-CG1 4.43Å; R50-I82 HydrophobicContact CG-CB 4.43Å; R50-I82 PolarHBondContact NE-O 2.75Å; R50-I82 PolarHBondContact NH1-O 2.86Å; R50-I82 PolarHBondContact NH2-O 2.77Å; I82-D92 HydrophobicContact CD1-CB 4.08Å; I82-D92 VanDerWaalsContact CD1-CG 3.5Å; I82-D92 WeakPolarHBondContact CD1-OD2 3.43Å
83D66.8Low72Confident71 Ų7159.9 Ų59.938%0.3831%0.307SS..  trans-74.6-33-179.553-55.3000111.3D81D81-D83 PolarHBondContact O-N 2.92Å
84N55.8Low71.7Confident70 Ų7060.7 Ų60.737%0.37431%0.31SS..SBendtrans-92.1163.8-173.1-144.5-21.6000114R50 T86R50-N84 PolarHBondContact NH1-O 2.82Å; N84-T86 WeakPolarHBondContact CB-OG1 3.36Å; N84-T86 VanDerWaalsContact CG-OG1 3.24Å; N84-T86 PolarHBondContact ND2-OG1 2.9Å
85K53.2Low71.3Confident204 Ų20456.7 Ų56.789%0.88729%0.293SS*.SBendtrans-78.4-7.7169.6-77.4-178.2179.5177.30112.6
86T46.2Very low71.1Confident66 Ų6656.7 Ų56.741%0.40529%0.293SS..SBendtrans-87156.2179.840.80000111.3N84N84-T86 WeakPolarHBondContact CB-OG1 3.36Å; N84-T86 VanDerWaalsContact CG-OG1 3.24Å; N84-T86 PolarHBondContact ND2-OG1 2.9Å
87I50.6Low71.1Confident161 Ų16156.3 Ų56.383%0.82629%0.292SS*.  trans-941.2-171.8-59.9159.7000111.1
88E46.7Very low71Confident137 Ų13756.6 Ų56.664%0.6429%0.294SS*.  trans-92.7113.2-169.6-63.7-165.990.300112.8S90 D91E88-S90 PolarHBondContact O-N 3.23Å; E88-D91 PolarHBondContact O-N 3.02Å
89L53.9Low71Confident67 Ų6761.6 Ų61.635%0.35132%0.317SS..THydrogen-bonded Turntrans-57.90.6175.8-71.7159.9000116.3Y80 D92Y80-L89 HydrophobicContact CD1-CD2 4.27Å; Y80-L89 HydrophobicContact CG-CD2 4.39Å; L89-D92 VanDerWaalsContact CA-OD2 3.23Å; L89-D92 WeakPolarHBondContact CA-OD2 3.34Å
90S50.5Low71.1Confident111 Ų11161.8 Ų61.878%0.77632%0.318SS*.THydrogen-bonded Turntrans-87.9-26.5-175.3-60.60000113E88E88-S90 PolarHBondContact O-N 3.23Å
91D49.1Very low71.3Confident123 Ų12362.1 Ų62.166%0.65832%0.323SS*.THydrogen-bonded Turntrans-100.7-14.5172.7-88.3-69000112.4E88E88-D91 PolarHBondContact O-N 3.02Å
92D64.4Low71.6Confident16 Ų1662.1 Ų62.19%0.08632%0.323CS..SBendtrans-66.6132.9-177.1-66.7-28.5000112.1D81 I82 L89 F94D81-D92 WeakPolarHBondContact O-CB 3.22Å; I82-D92 HydrophobicContact CD1-CB 4.08Å; I82-D92 VanDerWaalsContact CD1-CG 3.5Å; I82-D92 WeakPolarHBondContact CD1-OD2 3.43Å; L89-D92 VanDerWaalsContact CA-OD2 3.23Å; L89-D92 WeakPolarHBondContact CA-OD2 3.34Å; D92-F94 PolarHBondContact O-N 2.84Å
93D72.6Confident72.1Confident52 Ų5262.4 Ų62.428%0.27833%0.331SS..EExtended strand (participates in β ladder)trans-77.1112.9-171.4-119.4-29.6000111.6K21 D81 L95K21-D93 HydrophobicContact CD-CB 4.05Å; K21-D93 WeakPolarHBondContact CD-OD1 3.41Å; K21-D93 WeakPolarHBondContact CD-OD2 3.47Å; K21-D93 IonicContact NZ-OD1 2.69Å; K21-D93 PolarHBondContact NZ-OD1 3.26Å; K21-D93 IonicContact NZ-OD2 2.74Å; D81-D93 HydrophobicContact CB-CB 3.83Å; D81-D93 WeakPolarHBondContact CB-O 3.5Å; D81-D93 PolarHBondContact N-O 3.36Å; D81-D93 PolarHBondContact O-N 2.96Å; D81-D93 VanDerWaalsContact O-N 3.08Å; D93-L95 PolarHBondContact O-N 2.87Å; D93-L95 VanDerWaalsContact O-N 3.11Å
94F84.3Confident73.3Confident23 Ų2362.9 Ų62.910%0.10133%0.331CS..EExtended strand (participates in β ladder)trans-66.9115.9180-172.6-104.4000111.3Y80 D92 G96 E97 M117 K118Y80-F94 AromaticContact CD1-CD2 3.9Å; Y80-F94 HydrophobicContact CD1-CD2 3.9Å; Y80-F94 AromaticContact CE1-CD2 3.53Å; Y80-F94 HydrophobicContact CE1-CD2 3.53Å; Y80-F94 HydrophobicContact CE1-CE2 4.04Å; Y80-F94 HydrophobicContact CE2-CE2 4.49Å; Y80-F94 AromaticContact CZ-CD2 3.91Å; Y80-F94 AromaticContact CZ-CE2 3.92Å; D92-F94 PolarHBondContact O-N 2.84Å; F94-G96 VanDerWaalsContact CE1-CA 3.4Å; F94-E97 HydrophobicContact CE1-CG 4.3Å; F94-E97 HydrophobicContact CE2-CB 4.44Å; F94-E97 HydrophobicContact CZ-CB 3.68Å; F94-E97 HydrophobicContact CZ-CG 3.72Å; F94-E97 WeakPolarHBondContact CZ-OE2 3.16Å; F94-M117 HydrophobicContact CD1-SD 3.93Å; F94-M117 HydrophobicContact CE1-SD 4.44Å; F94-K118 HydrophobicContact CD1-CG 4.08Å; F94-K118 HydrophobicContact CE1-CG 3.74Å; F94-K118 HydrophobicContact CZ-CG 3.98Å
95L85.3Confident75Confident1 Ų159.6 Ų59.61%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-89.9-26.1-179.7-66.5179.2000112.5L18 L19 P29 V79 D81 D93 M117 A123L18-L95 HydrophobicContact CD1-CD1 4.15Å; L19-L95 HydrophobicContact CB-CD2 4.39Å; L19-L95 VanDerWaalsContact O-CD2 3.26Å; L19-L95 WeakPolarHBondContact O-CD2 3.26Å; P29-L95 HydrophobicContact CB-CD1 4.14Å; V79-L95 HydrophobicContact CB-CB 4.29Å; V79-L95 HydrophobicContact CG1-CB 4.08Å; V79-L95 HydrophobicContact CG1-CD1 4.11Å; V79-L95 PolarHBondContact O-N 3.4Å; D81-L95 HydrophobicContact CB-CD1 3.76Å; D81-L95 HydrophobicContact CB-CD2 3.97Å; D81-L95 HydrophobicContact CB-CG 3.75Å; D93-L95 PolarHBondContact O-N 2.87Å; D93-L95 VanDerWaalsContact O-N 3.11Å; L95-M117 WeakPolarHBondContact O-CE 3.43Å; L95-A123 WeakPolarHBondContact O-CB 3.14Å
96G90.4Very high76.8Confident0 Ų051.2 Ų51.20%028%0.279CS..EExtended strand (participates in β ladder)trans150.7169.3173.900000113.2V79 F94 V116V79-G96 PolarHBondContact N-O 3.2Å; V79-G96 PolarHBondContact O-N 2.86Å; F94-G96 VanDerWaalsContact CE1-CA 3.4Å; G96-V116 CarbonylContact C-O 3.52Å; G96-V116 VanDerWaalsContact CA-O 3.28Å; G96-V116 WeakPolarHBondContact CA-O 3.35Å
97E92.9Very high78.9Confident33 Ų3353 Ų5315%0.15429%0.294CS..EExtended strand (participates in β ladder)trans-130.3161.5174.355.1-172-13600112.3K76 F77 F94 V116K76-E97 WeakPolarHBondContact CE-OE1 3.38Å; K76-E97 WeakPolarHBondContact CE-OE2 3.41Å; K76-E97 IonicContact NZ-OE1 3.2Å; K76-E97 PolarHBondContact NZ-OE1 3.49Å; K76-E97 IonicContact NZ-OE2 2.73Å; K76-E97 PolarHBondContact NZ-OE2 3.39Å; F77-E97 CarbonylContact O-C 3.55Å; F77-E97 WeakPolarHBondContact O-CA 3.46Å; F77-E97 WeakPolarHBondContact O-CB 3.49Å; F94-E97 HydrophobicContact CE1-CG 4.3Å; F94-E97 HydrophobicContact CE2-CB 4.44Å; F94-E97 HydrophobicContact CZ-CB 3.68Å; F94-E97 HydrophobicContact CZ-CG 3.72Å; F94-E97 WeakPolarHBondContact CZ-OE2 3.16Å; E97-V116 HydrophobicContact CG-CG2 4.12Å; E97-V116 WeakPolarHBondContact CG-O 3.35Å; E97-V116 PolarHBondContact N-O 2.7Å; E97-V116 VanDerWaalsContact O-CG2 3.26Å; E97-V116 WeakPolarHBondContact O-CG2 3.22Å; E97-V116 PolarHBondContact O-N 3.27Å
98C93.1Very high80.7Confident6 Ų648.5 Ų48.54%0.04128%0.277CS..EExtended strand (participates in β ladder)trans-136.4130.7168.3171.40000109.5K76 F77 R113 I128K76-C98 CarbonylContact C-O 3.56Å; K76-C98 WeakPolarHBondContact CA-O 3.39Å; F77-C98 PolarHBondContact N-O 2.86Å; F77-C98 PolarHBondContact O-N 3.37Å; C98-R113 VanDerWaalsContact SG-CB 3.55Å; C98-I128 HydrophobicContact CB-CG2 3.45Å; C98-I128 VanDerWaalsContact CB-CG2 3.45Å
99E92.8Very high82.6Confident104 Ų10449.1 Ų49.149%0.48628%0.278SS..EExtended strand (participates in β ladder)trans-103.1135.2169.4-176.2176.9146.600109.8W42 K74 L75W42-E99 HydrophobicContact CH2-CG 4Å; W42-E99 HydrophobicContact CZ2-CG 4.41Å; K74-E99 IonicContact NZ-OE1 3.91Å; L75-E99 WeakPolarHBondContact O-CA 3.47Å
100C92.3Very high84.5Confident4 Ų452.3 Ų52.33%0.02729%0.289CS..EExtended strand (participates in β ladder)trans-154.2169.7173.657.10000110.1L75 L111L75-C100 CarbonylContact C-O 3.59Å; L75-C100 WeakPolarHBondContact CA-O 3.39Å; L75-C100 PolarHBondContact N-O 3.11Å; L75-C100 PolarHBondContact O-N 2.64Å; C100-L111 HydrophobicContact CB-CD2 3.5Å
101T92.6Very high86.5Confident37 Ų3747.8 Ų47.823%0.22726%0.256CS..EExtended strand (participates in β ladder)trans-100.1147.9173.365.60000111V72 Q73 K74 G103 Q104 I105V72-T101 HydrophobicContact CG1-CG2 4.18Å; Q73-T101 CarbonylContact O-C 3.54Å; Q73-T101 WeakPolarHBondContact O-CA 3.4Å; K74-T101 HydrophobicContact CG-CG2 4.34Å; T101-G103 PolarHBondContact O-N 2.98Å; T101-Q104 WeakPolarHBondContact O-CB 3.17Å; T101-Q104 PolarHBondContact O-N 2.79Å; T101-Q104 VanDerWaalsContact OG1-CG 3.27Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.27Å; T101-Q104 PolarHBondContact OG1-N 2.9Å; T101-I105 PolarHBondContact O-N 3.28Å
102L91.2Very high88.6Confident0 Ų045.7 Ų45.70%025%0.248CC..Hα-helixtrans-56.1-41175.8-178.254.5000110.9L11 I65 Y67 Q73 L75 Q104 I105 V106L11-L102 HydrophobicContact CD1-CD1 4.12Å; L11-L102 HydrophobicContact CD2-CD1 4.01Å; I65-L102 HydrophobicContact CB-CD2 4.42Å; I65-L102 HydrophobicContact CG2-CD2 3.94Å; Y67-L102 HydrophobicContact CD2-CB 4.36Å; Y67-L102 HydrophobicContact CD2-CD2 3.73Å; Y67-L102 HydrophobicContact CD2-CG 3.68Å; Y67-L102 HydrophobicContact CE2-CG 4.44Å; Y67-L102 HydrophobicContact CG-CD2 4.24Å; Y67-L102 HydrophobicContact CG-CG 4.37Å; Q73-L102 HydrophobicContact CB-CB 3.98Å; Q73-L102 HydrophobicContact CB-CD2 4.39Å; Q73-L102 PolarHBondContact O-N 3.25Å; L75-L102 HydrophobicContact CD1-CB 3.77Å; L75-L102 HydrophobicContact CD1-CD1 3.89Å; L75-L102 HydrophobicContact CD1-CG 4.37Å; L75-L102 HydrophobicContact CG-CB 4.28Å; L102-Q104 VanDerWaalsContact C-N 3.3Å; L102-Q104 PolarHBondContact O-N 2.77Å; L102-I105 PolarHBondContact O-N 2.82Å; L102-I105 VanDerWaalsContact O-N 3.14Å; L102-V106 HydrophobicContact CD1-CG2 3.92Å; L102-V106 HydrophobicContact CG-CG2 4.19Å; L102-V106 VanDerWaalsContact O-CG2 3.31Å; L102-V106 WeakPolarHBondContact O-CG2 3.45Å; L102-V106 PolarHBondContact O-N 2.93Å
103G90.3Very high90Very high24 Ų2450 Ų5025%0.24726%0.263CS..Hα-helixtrans-58.3-36.2175.100000114T101 S107T101-G103 PolarHBondContact O-N 2.98Å; G103-S107 WeakPolarHBondContact O-CB 3.12Å; G103-S107 PolarHBondContact O-N 3.17Å
104Q91.6Very high91Very high82 Ų8251.8 Ų51.838%0.38328%0.277SS..Hα-helixtrans-66.7-41.2175.6-80.4177.5-40.900112.4T101 L102 S108T101-Q104 WeakPolarHBondContact O-CB 3.17Å; T101-Q104 PolarHBondContact O-N 2.79Å; T101-Q104 VanDerWaalsContact OG1-CG 3.27Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.27Å; T101-Q104 PolarHBondContact OG1-N 2.9Å; L102-Q104 VanDerWaalsContact C-N 3.3Å; L102-Q104 PolarHBondContact O-N 2.77Å; Q104-S108 WeakPolarHBondContact O-CB 3.03Å; Q104-S108 PolarHBondContact O-N 2.73Å; Q104-S108 PolarHBondContact O-OG 2.84Å
105I91.9Very high91.3Very high0 Ų050.7 Ų50.70%027%0.273CS..Hα-helixtrans-69.6-47.6-179.3-49.2168.2000109.6L11 L75 F77 T101 L102 S107 S108 K109 L111 I130 A132L11-I105 HydrophobicContact CD1-CD1 4.38Å; L11-I105 HydrophobicContact CD2-CD1 4.47Å; L11-I105 HydrophobicContact CD2-CG2 4.15Å; L75-I105 HydrophobicContact CD1-CD1 3.56Å; F77-I105 HydrophobicContact CE2-CD1 4.2Å; F77-I105 HydrophobicContact CZ-CD1 4.34Å; T101-I105 PolarHBondContact O-N 3.28Å; L102-I105 PolarHBondContact O-N 2.82Å; L102-I105 VanDerWaalsContact O-N 3.14Å; I105-S107 VanDerWaalsContact C-N 3.34Å; I105-S107 PolarHBondContact O-N 2.7Å; I105-S108 PolarHBondContact O-N 3.2Å; I105-K109 VanDerWaalsContact O-CA 3.32Å; I105-K109 WeakPolarHBondContact O-CA 3.43Å; I105-K109 PolarHBondContact O-N 3.46Å; I105-L111 HydrophobicContact CG1-CB 4.43Å; I105-L111 HydrophobicContact CG1-CD2 3.97Å; I105-I130 HydrophobicContact CD1-CB 4.49Å; I105-I130 HydrophobicContact CD1-CG2 3.95Å; I105-I130 HydrophobicContact CG2-CB 4.4Å; I105-I130 HydrophobicContact CG2-CG2 3.98Å; I105-A132 HydrophobicContact CB-CB 4.41Å; I105-A132 HydrophobicContact CG2-CB 3.64Å
106V90.2Very high91.6Very high28 Ų2853.1 Ų53.117%0.1729%0.287CS..Hα-helixtrans-59.8-44.7177.8174.60000110.7V9 Y67 L102 S108 K109 A132V9-V106 HydrophobicContact CB-CG2 4.46Å; V9-V106 HydrophobicContact CG1-CG2 4.01Å; V9-V106 HydrophobicContact CG2-CG2 3.87Å; Y67-V106 HydrophobicContact CE1-CG1 4.32Å; Y67-V106 HydrophobicContact CG-CG2 4.43Å; L102-V106 HydrophobicContact CD1-CG2 3.92Å; L102-V106 HydrophobicContact CG-CG2 4.19Å; L102-V106 VanDerWaalsContact O-CG2 3.31Å; L102-V106 WeakPolarHBondContact O-CG2 3.45Å; L102-V106 PolarHBondContact O-N 2.93Å; V106-S108 VanDerWaalsContact C-N 3.34Å; V106-S108 PolarHBondContact O-N 3.48Å; V106-K109 PolarHBondContact O-N 3.4Å; V106-A132 HydrophobicContact CG2-CB 4.36Å
107S89.6Confident91.5Very high103 Ų10354.8 Ų54.872%0.7230%0.295SS*.Hα-helixtrans-64.9-35.6178.6-1800000113.3G103 I105G103-S107 WeakPolarHBondContact O-CB 3.12Å; G103-S107 PolarHBondContact O-N 3.17Å; I105-S107 VanDerWaalsContact C-N 3.34Å; I105-S107 PolarHBondContact O-N 2.7Å
108S88.6Confident90.9Very high68 Ų6860.5 Ų60.548%0.47632%0.32SS..Hα-helixtrans-91.3-13.3-177.6-51.70000113.1Q104 I105 V106 K110Q104-S108 WeakPolarHBondContact O-CB 3.03Å; Q104-S108 PolarHBondContact O-N 2.73Å; Q104-S108 PolarHBondContact O-OG 2.84Å; I105-S108 PolarHBondContact O-N 3.2Å; V106-S108 VanDerWaalsContact C-N 3.34Å; V106-S108 PolarHBondContact O-N 3.48Å; S108-K110 WeakPolarHBondContact CB-O 3.2Å; S108-K110 PolarHBondContact O-N 2.87Å
109K88.1Confident90.2Very high150 Ų15065.4 Ų65.465%0.65235%0.35SS*.SBendtrans57.8-29.1-165.4-57.6-175.2177.5-171.40115.2I105 V106 S131 A132I105-K109 VanDerWaalsContact O-CA 3.32Å; I105-K109 WeakPolarHBondContact O-CA 3.43Å; I105-K109 PolarHBondContact O-N 3.46Å; V106-K109 PolarHBondContact O-N 3.4Å; K109-S131 CarbonylContact O-C 3.47Å; K109-S131 WeakPolarHBondContact O-CA 3.35Å; K109-S131 WeakPolarHBondContact O-CB 3.34Å; K109-A132 PolarHBondContact O-N 3.47Å
110K92.2Very high89.5Confident134 Ų13463.3 Ų63.358%0.58336%0.356SS*.EExtended strand (participates in β ladder)trans-144.5126.8177.8-172.8177.3-178177.70109.4S108 T129 I130S108-K110 WeakPolarHBondContact CB-O 3.2Å; S108-K110 PolarHBondContact O-N 2.87Å; K110-T129 HydrophobicContact CD-CG2 4.22Å; K110-T129 HydrophobicContact CG-CG2 3.9Å; K110-I130 CarbonylContact C-O 3.58Å; K110-I130 WeakPolarHBondContact CA-O 3.25Å
111L93.3Very high89.1Confident15 Ų1572 Ų728%0.07939%0.388CS..EExtended strand (participates in β ladder)trans-122.7120.2179.5-176.867.5000109C100 I105 R113 T129 I130C100-L111 HydrophobicContact CB-CD2 3.5Å; I105-L111 HydrophobicContact CG1-CB 4.43Å; I105-L111 HydrophobicContact CG1-CD2 3.97Å; L111-R113 HydrophobicContact CD1-CG 4.37Å; L111-R113 HydrophobicContact CD2-CG 4.3Å; L111-R113 HydrophobicContact CG-CG 4.07Å; L111-T129 CarbonylContact O-C 3.5Å; L111-T129 WeakPolarHBondContact O-CA 3.16Å; L111-I130 PolarHBondContact N-O 2.99Å; L111-I130 PolarHBondContact O-N 3.49Å
112T93.9Very high88.8Confident79 Ų7974.8 Ų74.849%0.48541%0.407SS..EExtended strand (participates in β ladder)trans-111.6128.1173.1-61.60000109I128 T129T112-I128 CarbonylContact C-O 3.53Å; T112-I128 WeakPolarHBondContact CA-O 3.21Å; T112-T129 WeakPolarHBondContact CG2-OG1 3.12Å; T112-T129 WeakPolarHBondContact OG1-CG2 3.4Å; T112-T129 PolarHBondContact OG1-OG1 3.27Å
113R93Very high88.4Confident106 Ų10674.8 Ų74.840%0.441%0.407SS..EExtended strand (participates in β ladder)trans-135.6146.3-178.8-70.1-67.7-172.4173.7-0.7110.7C98 L111 S127 I128C98-R113 VanDerWaalsContact SG-CB 3.55Å; L111-R113 HydrophobicContact CD1-CG 4.37Å; L111-R113 HydrophobicContact CD2-CG 4.3Å; L111-R113 HydrophobicContact CG-CG 4.07Å; R113-S127 CarbonylContact O-C 3.59Å; R113-S127 WeakPolarHBondContact O-CA 3.42Å; R113-I128 HydrophobicContact CB-CG2 4.39Å; R113-I128 PolarHBondContact N-O 2.62Å; R113-I128 PolarHBondContact O-N 2.68Å
114P92.9Very high88.1Confident90 Ų9076 Ų7658%0.58442%0.419SS*.EExtended strand (participates in β ladder)trans-67143.8168.730.2-33.5000109.6
115L91Very high87.8Confident1 Ų180.7 Ų80.71%0.00544%0.438CS..EExtended strand (participates in β ladder)trans-75.1141.2171.7-73.6167.8000109.5L18 V79 A123 G126 I128L18-L115 HydrophobicContact CD2-CD1 3.31Å; V79-L115 HydrophobicContact CG2-CD1 4.23Å; V79-L115 HydrophobicContact CG2-CD2 3.9Å; L115-A123 HydrophobicContact CB-CB 3.79Å; L115-A123 WeakPolarHBondContact O-CB 3.07Å; L115-A123 PolarHBondContact O-N 3.04Å; L115-G126 PolarHBondContact N-O 2.94Å; L115-I128 HydrophobicContact CD2-CB 3.92Å; L115-I128 HydrophobicContact CD2-CG2 3.79Å; L115-I128 HydrophobicContact CG-CB 4.22Å; L115-I128 HydrophobicContact CG-CG2 4.25Å
116V92.2Very high87.7Confident51 Ų5180.8 Ų80.831%0.30944%0.44SS..EExtended strand (participates in β ladder)trans-119.1145.1175.6-65.20000110.5G96 E97 R121G96-V116 CarbonylContact C-O 3.52Å; G96-V116 VanDerWaalsContact CA-O 3.28Å; G96-V116 WeakPolarHBondContact CA-O 3.35Å; E97-V116 HydrophobicContact CG-CG2 4.12Å; E97-V116 WeakPolarHBondContact CG-O 3.35Å; E97-V116 PolarHBondContact N-O 2.7Å; E97-V116 VanDerWaalsContact O-CG2 3.26Å; E97-V116 WeakPolarHBondContact O-CG2 3.22Å; E97-V116 PolarHBondContact O-N 3.27Å; V116-R121 CarbonylContact C-O 3.58Å; V116-R121 WeakPolarHBondContact CA-O 3.12Å
117M87.2Confident87.9Confident36 Ų3680.8 Ų80.818%0.17744%0.441CS..  trans-74.1163.2172.4-69.3-70.8174.400110.1L19 F94 L95 T119 G120 R121 A123L19-M117 HydrophobicContact CD2-CE 3.73Å; F94-M117 HydrophobicContact CD1-SD 3.93Å; F94-M117 HydrophobicContact CE1-SD 4.44Å; L95-M117 WeakPolarHBondContact O-CE 3.43Å; M117-T119 PolarHBondContact O-N 3.38Å; M117-G120 PolarHBondContact O-N 3.42Å; M117-R121 PolarHBondContact N-O 3.12Å; M117-A123 HydrophobicContact CE-CB 3.72Å; M117-A123 HydrophobicContact CG-CB 4.1Å; M117-A123 HydrophobicContact SD-CB 4.35Å
118K81.2Confident88.1Confident152 Ų15275.9 Ų75.966%0.66141%0.406SS*.THydrogen-bonded Turntrans-55-21.5173-65.6-177.6-179.2173.80113.6F94 G120F94-K118 HydrophobicContact CD1-CG 4.08Å; F94-K118 HydrophobicContact CE1-CG 3.74Å; F94-K118 HydrophobicContact CZ-CG 3.98Å; K118-G120 VanDerWaalsContact C-N 3.29Å
119T79.1Confident88.4Confident110 Ų11073.6 Ų73.668%0.67539%0.39SS*.THydrogen-bonded Turntrans-83.40.3176.857.40000113.7M117 R121M117-T119 PolarHBondContact O-N 3.38Å; T119-R121 PolarHBondContact O-N 3.08Å
120G77.6Confident88.7Confident60 Ų6066.4 Ų66.462%0.61936%0.359SS*.SBendtrans77.50.2-176.400000114.6M117 K118M117-G120 PolarHBondContact O-N 3.42Å; K118-G120 VanDerWaalsContact C-N 3.29Å
121R84.3Confident88.8Confident185 Ų18562.1 Ų62.170%0.69835%0.345SS*.SBendtrans-79.1149174.9-65.7-176.3-177.4176.71.3110.7V116 M117 T119 A123V116-R121 CarbonylContact C-O 3.58Å; V116-R121 WeakPolarHBondContact CA-O 3.12Å; M117-R121 PolarHBondContact N-O 3.12Å; T119-R121 PolarHBondContact O-N 3.08Å; R121-A123 PolarHBondContact O-N 2.84Å
122P84.4Confident88.8Confident96 Ų9662.2 Ų62.262%0.62335%0.348SS*.EExtended strand (participates in β ladder)trans-59.6134.7173.523.8-32000110.8G124P122-G124 PolarHBondContact O-N 2.69Å
123A83.9Confident88.7Confident1 Ų164.6 Ų64.61%0.00835%0.354CS..EExtended strand (participates in β ladder)trans-77.961.8177.500000111.4L95 L115 M117 R121 K125 G126L95-A123 WeakPolarHBondContact O-CB 3.14Å; L115-A123 HydrophobicContact CB-CB 3.79Å; L115-A123 WeakPolarHBondContact O-CB 3.07Å; L115-A123 PolarHBondContact O-N 3.04Å; M117-A123 HydrophobicContact CE-CB 3.72Å; M117-A123 HydrophobicContact CG-CB 4.1Å; M117-A123 HydrophobicContact SD-CB 4.35Å; R121-A123 PolarHBondContact O-N 2.84Å; A123-K125 PolarHBondContact O-N 3.18Å; A123-G126 PolarHBondContact O-N 2.69Å
124G83.7Confident88.5Confident48 Ų4865.7 Ų65.750%0.49536%0.363SS..EExtended strand (participates in β ladder)trans64.8-125.8-174.200000111.9P122P122-G124 PolarHBondContact O-N 2.69Å
125K86.1Confident87.9Confident181 Ų18167.9 Ų67.979%0.78737%0.369SS*.EExtended strand (participates in β ladder)trans-1037.8176.4-63-178.8-177.7176.70112.6N17 A123N17-K125 HydrophobicContact CB-CB 4.12Å; N17-K125 WeakPolarHBondContact CB-O 3.38Å; N17-K125 CarbonylContact O-C 3.55Å; N17-K125 VanDerWaalsContact O-C 3.3Å; A123-K125 PolarHBondContact O-N 3.18Å
126G89.7Confident87.8Confident3 Ų371.2 Ų71.23%0.03139%0.387CS..EExtended strand (participates in β ladder)trans-61.5134.3-177.600000111.7A16 N17 L115 A123A16-G126 WeakPolarHBondContact O-CA 3.49Å; N17-G126 WeakPolarHBondContact O-CA 3.47Å; N17-G126 PolarHBondContact O-N 3.16Å; L115-G126 PolarHBondContact N-O 2.94Å; A123-G126 PolarHBondContact O-N 2.69Å
127S93.6Very high87.6Confident27 Ų2772.3 Ų72.319%0.18939%0.391CS..EExtended strand (participates in β ladder)trans-135.5149.9173.259.30000110C15 A16 R113C15-S127 CarbonylContact C-O 3.56Å; C15-S127 WeakPolarHBondContact CA-O 3.02Å; C15-S127 WeakPolarHBondContact CB-O 3.21Å; A16-S127 PolarHBondContact N-O 3.29Å; A16-S127 PolarHBondContact O-N 3.46Å; A16-S127 PolarHBondContact O-OG 3.37Å; R113-S127 CarbonylContact O-C 3.59Å; R113-S127 WeakPolarHBondContact O-CA 3.42Å
128I93.9Very high87.6Confident0 Ų074.3 Ų74.30%040%0.403CS..EExtended strand (participates in β ladder)trans-118.9136.8176-173.5172.7000108.6V13 S14 F77 V79 C98 T112 R113 L115 I130V13-I128 HydrophobicContact CG1-CD1 3.65Å; V13-I128 HydrophobicContact CG1-CG1 3.76Å; S14-I128 CarbonylContact O-C 3.26Å; S14-I128 WeakPolarHBondContact O-CA 3.23Å; F77-I128 HydrophobicContact CB-CD1 3.46Å; F77-I128 VanDerWaalsContact CB-CD1 3.46Å; F77-I128 HydrophobicContact CD1-CD1 4.4Å; F77-I128 HydrophobicContact CG-CD1 3.99Å; V79-I128 HydrophobicContact CG2-CD1 4.35Å; C98-I128 HydrophobicContact CB-CG2 3.45Å; C98-I128 VanDerWaalsContact CB-CG2 3.45Å; T112-I128 CarbonylContact C-O 3.53Å; T112-I128 WeakPolarHBondContact CA-O 3.21Å; R113-I128 HydrophobicContact CB-CG2 4.39Å; R113-I128 PolarHBondContact N-O 2.62Å; R113-I128 PolarHBondContact O-N 2.68Å; L115-I128 HydrophobicContact CD2-CB 3.92Å; L115-I128 HydrophobicContact CD2-CG2 3.79Å; L115-I128 HydrophobicContact CG-CB 4.22Å; L115-I128 HydrophobicContact CG-CG2 4.25Å; I128-I130 HydrophobicContact CD1-CD1 4.22Å; I128-I130 HydrophobicContact CD1-CG1 4.42Å; I128-I130 HydrophobicContact CG1-CD1 3.9Å; I128-I130 HydrophobicContact CG1-CG1 4.25Å; I128-I130 HydrophobicContact CG2-CD1 4.11Å
129T94.9Very high88Confident20 Ų2069.7 Ų69.712%0.12339%0.388CS..EExtended strand (participates in β ladder)trans-120.7122.4177-65.20000108.2V13 S14 K110 L111 T112V13-T129 WeakPolarHBondContact CA-O 3.21Å; S14-T129 PolarHBondContact N-O 3.22Å; S14-T129 PolarHBondContact O-N 2.72Å; S14-T129 PolarHBondContact OG-O 2.72Å; K110-T129 HydrophobicContact CD-CG2 4.22Å; K110-T129 HydrophobicContact CG-CG2 3.9Å; L111-T129 CarbonylContact O-C 3.5Å; L111-T129 WeakPolarHBondContact O-CA 3.16Å; T112-T129 WeakPolarHBondContact CG2-OG1 3.12Å; T112-T129 WeakPolarHBondContact OG1-CG2 3.4Å; T112-T129 PolarHBondContact OG1-OG1 3.27Å
130I94.9Very high88.5Confident0 Ų067.2 Ų67.20%037%0.37CS..EExtended strand (participates in β ladder)trans-115.8125.8178.6-50.591.3000108.1L11 N12 V13 F77 I105 K110 L111 I128L11-I130 HydrophobicContact CB-CG2 4.27Å; N12-I130 CarbonylContact O-C 3.58Å; N12-I130 VanDerWaalsContact O-CA 3.28Å; N12-I130 WeakPolarHBondContact O-CA 3.24Å; V13-I130 HydrophobicContact CG2-CG1 4.25Å; V13-I130 HydrophobicContact CG2-CG2 4.24Å; F77-I130 HydrophobicContact CD1-CG1 4.45Å; F77-I130 HydrophobicContact CD2-CD1 4.27Å; F77-I130 HydrophobicContact CD2-CG1 4.13Å; F77-I130 HydrophobicContact CE1-CG1 4.21Å; F77-I130 HydrophobicContact CE1-CG2 4.33Å; F77-I130 HydrophobicContact CE2-CD1 4.34Å; F77-I130 HydrophobicContact CE2-CG1 3.89Å; F77-I130 HydrophobicContact CE2-CG2 4.39Å; F77-I130 HydrophobicContact CG-CG1 4.4Å; F77-I130 HydrophobicContact CZ-CG1 3.94Å; F77-I130 HydrophobicContact CZ-CG2 3.83Å; I105-I130 HydrophobicContact CD1-CB 4.49Å; I105-I130 HydrophobicContact CD1-CG2 3.95Å; I105-I130 HydrophobicContact CG2-CB 4.4Å; I105-I130 HydrophobicContact CG2-CG2 3.98Å; K110-I130 CarbonylContact C-O 3.58Å; K110-I130 WeakPolarHBondContact CA-O 3.25Å; L111-I130 PolarHBondContact N-O 2.99Å; L111-I130 PolarHBondContact O-N 3.49Å; I128-I130 HydrophobicContact CD1-CD1 4.22Å; I128-I130 HydrophobicContact CD1-CG1 4.42Å; I128-I130 HydrophobicContact CG1-CD1 3.9Å; I128-I130 HydrophobicContact CG1-CG1 4.25Å; I128-I130 HydrophobicContact CG2-CD1 4.11Å
131S93.6Very high89.2Confident43 Ų4367.7 Ų67.730%0.30135%0.353SS..EExtended strand (participates in β ladder)trans-113.5141.5171.751.20000110.9L11 N12 K109L11-S131 CarbonylContact C-O 3.46Å; L11-S131 VanDerWaalsContact CA-O 3.26Å; L11-S131 WeakPolarHBondContact CA-O 3.35Å; N12-S131 WeakPolarHBondContact CB-OG 3.43Å; N12-S131 PolarHBondContact N-O 2.93Å; N12-S131 PolarHBondContact O-N 2.62Å; K109-S131 CarbonylContact O-C 3.47Å; K109-S131 WeakPolarHBondContact O-CA 3.35Å; K109-S131 WeakPolarHBondContact O-CB 3.34Å
132A92.9Very high89.6Confident17 Ų1759.3 Ų59.314%0.1433%0.329CS..EExtended strand (participates in β ladder)trans-109.6133.517700000110.2V9 A10 L11 I105 V106 K109V9-A132 HydrophobicContact CG1-CB 3.58Å; A10-A132 CarbonylContact O-C 3.58Å; A10-A132 WeakPolarHBondContact O-CA 3.44Å; L11-A132 HydrophobicContact CD2-CB 3.68Å; I105-A132 HydrophobicContact CB-CB 4.41Å; I105-A132 HydrophobicContact CG2-CB 3.64Å; V106-A132 HydrophobicContact CG2-CB 4.36Å; K109-A132 PolarHBondContact O-N 3.47Å
133E92.3Very high90Very high129 Ų12956.5 Ų56.560%0.60331%0.306SS*.EExtended strand (participates in β ladder)trans-126.5131.7171.9-172.2170.3176.100108.9V9 A10V9-E133 CarbonylContact C-O 3.56Å; V9-E133 WeakPolarHBondContact CA-O 3.37Å; A10-E133 HydrophobicContact CB-CB 4.32Å; A10-E133 PolarHBondContact N-O 3.01Å; A10-E133 PolarHBondContact O-N 3.08Å
134E88.6Confident90.5Very high129 Ų12961.1 Ų61.160%0.60333%0.331SS*.EExtended strand (participates in β ladder)trans-79.9136.3176.9-64.8173.598.800109.4T7T7-E134 HydrophobicContact CG2-CB 4.27Å; T7-E134 HydrophobicContact CG2-CG 4.09Å
135I81.9Confident91.1Very high136 Ų13662.3 Ų62.370%0.69732%0.316SS*.  trans-122.90-179.366.2171.3000112.9K8 A10 I64K8-I135 HydrophobicContact CB-CD1 3.94Å; K8-I135 HydrophobicContact CB-CG1 3.42Å; K8-I135 VanDerWaalsContact CB-CG1 3.42Å; K8-I135 PolarHBondContact O-N 3.35Å; A10-I135 HydrophobicContact CB-CG2 3.86Å; I64-I135 HydrophobicContact CD1-CD1 4.32Å; I64-I135 HydrophobicContact CG1-CD1 4.39Å; I64-I135 HydrophobicContact CG2-CD1 3.86Å

Retrieved 135 of 135 residues in 86.8 ms (Link to these results)

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