G4V8R6_SCHMA Loading...

Family S9 non-peptidase homologue (S09 family)

AlphaFold DB , UniProt , Accession G4V8R6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 105 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
1M48.7Very low59.4Low230 Ų230160.8 Ų160.8100%1.13385%0.849SS**  0132.60-60-133.9-170.100106.8T3M1-T3 PolarHBondContact O-N 3Å
2P56.5Low59.6Low132 Ų132162.7 Ų162.786%0.85784%0.844SS**  trans-67122.2-168.429.4-31.5000109G4P2-G4 PolarHBondContact O-N 3.24Å
3T56.3Low60.1Low129 Ų129165.6 Ų165.679%0.79185%0.846SS**  trans-65.3111.417239.30000108.2M1 D5M1-T3 PolarHBondContact O-N 3Å; T3-D5 PolarHBondContact O-N 3.34Å
4G58.1Low60.7Low71 Ų71166.4 Ų166.473%0.73285%0.845SS**  trans-67.8111.417500000110P2 K6P2-G4 PolarHBondContact O-N 3.24Å; G4-K6 PolarHBondContact O-N 3.21Å
5D59.7Low61.7Low155 Ų155158.6 Ų158.683%0.82981%0.812SS**  trans-58.9104.5168.6-74.8-41.9000109T3 Q7T3-D5 PolarHBondContact O-N 3.34Å; D5-Q7 PolarHBondContact O-N 2.86Å
6K60.6Low63Low204 Ų204159.5 Ų159.589%0.88782%0.816SS**  trans-64.6101.7166.1-74.1-176.7175.6-177.40107.1G4G4-K6 PolarHBondContact O-N 3.21Å
7Q61.9Low64.2Low175 Ų175154.9 Ų154.982%0.81879%0.793SS**  trans-53.2129.9167.4-78.2-177.8-12.300108.3D5 E9D5-Q7 PolarHBondContact O-N 2.86Å; Q7-E9 PolarHBondContact O-N 3.15Å; Q7-E9 VanDerWaalsContact O-N 3.15Å
8P63.4Low65.6Low118 Ų118150.3 Ų150.377%0.76677%0.77SS**  trans-59.6123.8177.524-31.1000107.9K10P8-K10 PolarHBondContact O-N 3.21Å
9E61.6Low66.9Low179 Ų179142.9 Ų142.984%0.83673%0.732SS**  trans-53.1113.6173.6-76.2-158.5140.500107.8Q7 H11Q7-E9 PolarHBondContact O-N 3.15Å; Q7-E9 VanDerWaalsContact O-N 3.15Å; E9-H11 VanDerWaalsContact C-N 3.35Å; E9-H11 PolarHBondContact O-CD2 2.99Å; E9-H11 PolarHBondContact O-N 3Å
10K63.3Low68.2Low200 Ų200140.5 Ų140.587%0.8772%0.721SS**  trans-62.1103.1172.4-79.2179.2176.8174.90106.7P8 K12P8-K10 PolarHBondContact O-N 3.21Å; K10-K12 PolarHBondContact O-N 2.96Å
11H62.9Low69.3Low176 Ų176140.4 Ų140.482%0.81572%0.715SS**  trans-47.4114.5169.7-73.8-116.6000107.7E9 K13E9-H11 VanDerWaalsContact C-N 3.35Å; E9-H11 PolarHBondContact O-CD2 2.99Å; E9-H11 PolarHBondContact O-N 3Å; H11-K13 PolarHBondContact O-N 3.11Å; H11-K13 VanDerWaalsContact O-N 3.11Å
12K62.3Low71.5Confident183 Ų183132.8 Ų132.880%0.79668%0.675SS**  trans-57.9119.9175.7-78.5177.4177.3174.40106.7K10 E14K10-K12 PolarHBondContact O-N 2.96Å; K12-E14 VanDerWaalsContact C-N 3.32Å; K12-E14 PolarHBondContact O-N 3.19Å
13K65.9Low73.4Confident201 Ų201129.5 Ų129.587%0.87465%0.649SS**  trans-68.397.2171.7-71.5-175.6176.7-176.10106.9H11H11-K13 PolarHBondContact O-N 3.11Å; H11-K13 VanDerWaalsContact O-N 3.11Å
14E68.4Low75.3Confident176 Ų176128.3 Ų128.382%0.82264%0.638SS**  trans-66.7137.8171.9-66.3-176.2172.300109K12K12-E14 VanDerWaalsContact C-N 3.32Å; K12-E14 PolarHBondContact O-N 3.19Å
15S75.4Confident77.2Confident50 Ų50130.3 Ų130.335%0.3563%0.626SS.*  trans-67.8132.1174.3174.50000108.9I17 Q48S15-I17 PolarHBondContact O-N 3.2Å; S15-I17 PolarHBondContact OG-N 3.27Å; S15-I17 PolarHBondContact OG-O 2.94Å; S15-Q48 PolarHBondContact OG-NE2 2.9Å; S15-Q48 VanDerWaalsContact OG-NE2 3.17Å
16I83Confident78.9Confident173 Ų173129.4 Ų129.489%0.88761%0.612SS**SBendtrans-65.4-18.817251.8158.1000112.6
17I83.5Confident80.6Confident82 Ų82119.7 Ų119.742%0.42157%0.569SS.*SBendtrans-106.3120.8178.7-61.4163.9000108.3S15 L19S15-I17 PolarHBondContact O-N 3.2Å; S15-I17 PolarHBondContact OG-N 3.27Å; S15-I17 PolarHBondContact OG-O 2.94Å; I17-L19 HydrophobicContact CG2-CD2 3.97Å; I17-L19 HydrophobicContact CG2-CG 4.16Å; I17-L19 PolarHBondContact O-N 3.36Å
18D88.6Confident82.2Confident71 Ų71113.6 Ų113.638%0.3854%0.539SS..  trans-88.690.5171.2-17816.3000110.2N20 K21D18-N20 PolarHBondContact O-N 2.9Å; D18-N20 VanDerWaalsContact OD1-CB 3.27Å; D18-N20 WeakPolarHBondContact OD1-CB 3.22Å; D18-N20 PolarHBondContact OD1-N 3.15Å; D18-N20 PolarHBondContact OD1-ND2 3.17Å; D18-K21 HydrophobicContact CB-CD 4.27Å; D18-K21 HydrophobicContact CB-CG 4.34Å; D18-K21 PolarHBondContact O-N 2.95Å; D18-K21 VanDerWaalsContact OD2-CE 3.22Å; D18-K21 WeakPolarHBondContact OD2-CE 3.37Å; D18-K21 WeakPolarHBondContact OD2-CG 3.48Å
19L91.5Very high83.8Confident10 Ų10108 Ų1085%0.05250%0.502CS..G310 helixtrans-65.3-18.6177.9-72.3175.3000112.8I17 K21 Y22 L41 C44 Q48 M50 V88I17-L19 HydrophobicContact CG2-CD2 3.97Å; I17-L19 HydrophobicContact CG2-CG 4.16Å; I17-L19 PolarHBondContact O-N 3.36Å; L19-K21 PolarHBondContact O-N 3.38Å; L19-K21 VanDerWaalsContact O-N 3.17Å; L19-Y22 PolarHBondContact O-N 3.28Å; L19-L41 HydrophobicContact CB-CD2 4.32Å; L19-L41 WeakPolarHBondContact O-CD2 3.27Å; L19-C44 HydrophobicContact CB-CB 4.21Å; L19-C44 WeakPolarHBondContact CB-SG 3.44Å; L19-C44 HydrophobicContact CD1-CB 4.03Å; L19-Q48 HydrophobicContact CD1-CB 4.3Å; L19-Q48 HydrophobicContact CD1-CG 4.28Å; L19-M50 HydrophobicContact CD1-CG 4.25Å; L19-M50 HydrophobicContact CD1-SD 4.24Å; L19-V88 HydrophobicContact CD2-CB 4.4Å; L19-V88 HydrophobicContact CD2-CG1 3.95Å
20N91.9Very high85.3Confident95 Ų95102.6 Ų102.651%0.50848%0.476SS..G310 helixtrans-62.1-26.8178.8-59.8-68.4000112.1D18 Y22 I23D18-N20 PolarHBondContact O-N 2.9Å; D18-N20 VanDerWaalsContact OD1-CB 3.27Å; D18-N20 WeakPolarHBondContact OD1-CB 3.22Å; D18-N20 PolarHBondContact OD1-N 3.15Å; D18-N20 PolarHBondContact OD1-ND2 3.17Å; N20-Y22 PolarHBondContact O-N 2.8Å; N20-Y22 VanDerWaalsContact O-N 3.15Å; N20-I23 HydrophobicContact CB-CD1 4.2Å; N20-I23 PolarHBondContact O-N 3.22Å; N20-I23 VanDerWaalsContact O-N 3.17Å
21K92.6Very high86.9Confident138 Ų13894.2 Ų94.260%0.644%0.44SS*.G310 helixtrans-63.7-16.3174.8-62.2179.9-177.6175.30113.7D18 L19 K25D18-K21 HydrophobicContact CB-CD 4.27Å; D18-K21 HydrophobicContact CB-CG 4.34Å; D18-K21 PolarHBondContact O-N 2.95Å; D18-K21 VanDerWaalsContact OD2-CE 3.22Å; D18-K21 WeakPolarHBondContact OD2-CE 3.37Å; D18-K21 WeakPolarHBondContact OD2-CG 3.48Å; L19-K21 PolarHBondContact O-N 3.38Å; L19-K21 VanDerWaalsContact O-N 3.17Å; K21-K25 WeakPolarHBondContact O-CE 3.35Å; K21-K25 PolarHBondContact O-NZ 3.32Å
22Y94.6Very high88.3Confident71 Ų7188.6 Ų88.628%0.27842%0.42SS..G310 helixtrans-108.85.2-179.6-56.8-77.5000113.1L19 N20 D24 K25 I27 L41 P90L19-Y22 PolarHBondContact O-N 3.28Å; N20-Y22 PolarHBondContact O-N 2.8Å; N20-Y22 VanDerWaalsContact O-N 3.15Å; Y22-D24 PolarHBondContact O-N 3.17Å; Y22-K25 HydrophobicContact CD1-CD 4.48Å; Y22-K25 WeakPolarHBondContact O-CB 3.36Å; Y22-K25 PolarHBondContact O-N 2.9Å; Y22-I27 HydrophobicContact CD1-CG2 4.47Å; Y22-I27 HydrophobicContact CG-CG2 4.33Å; Y22-L41 WeakPolarHBondContact O-CB 3.47Å; Y22-P90 HydrophobicContact CD1-CB 4.23Å; Y22-P90 HydrophobicContact CE1-CB 3.88Å; Y22-P90 HydrophobicContact CE1-CG 4.01Å
23I95.8Very high89.5Confident63 Ų6383.8 Ų83.832%0.32342%0.422SS..THydrogen-bonded Turntrans-57.4137.2171.8-71.1176.2000109.6N20 K25N20-I23 HydrophobicContact CB-CD1 4.2Å; N20-I23 PolarHBondContact O-N 3.22Å; N20-I23 VanDerWaalsContact O-N 3.17Å; I23-K25 PolarHBondContact O-N 3.17Å; I23-K25 VanDerWaalsContact O-N 3.13Å
24D96.8Very high90.7Very high103 Ų10374.7 Ų74.755%0.55139%0.386SS*.THydrogen-bonded Turntrans58.315.7-174-67.6-50000115Y22 L41 K42Y22-D24 PolarHBondContact O-N 3.17Å; D24-L41 PolarHBondContact N-O 3Å; D24-K42 IonicContact OD1-NZ 2.8Å; D24-K42 PolarHBondContact OD1-NZ 2.98Å
25K96.8Very high91.8Very high113 Ų11372.4 Ų72.449%0.49137%0.37SS..SBendtrans-105.2151.7171.1-59.1-175-174.4159.80111.1K21 Y22 I23 I27 I40 L41K21-K25 WeakPolarHBondContact O-CE 3.35Å; K21-K25 PolarHBondContact O-NZ 3.32Å; Y22-K25 HydrophobicContact CD1-CD 4.48Å; Y22-K25 WeakPolarHBondContact O-CB 3.36Å; Y22-K25 PolarHBondContact O-N 2.9Å; I23-K25 PolarHBondContact O-N 3.17Å; I23-K25 VanDerWaalsContact O-N 3.13Å; K25-I27 PolarHBondContact O-N 3.04Å; K25-I40 WeakPolarHBondContact O-CA 3.45Å; K25-L41 PolarHBondContact O-N 3.42Å
26R96.5Very high92.7Very high137 Ų13770.2 Ų70.252%0.51735%0.354SS..EExtended strand (participates in β ladder)trans-73.3120.8172.7-164.7172-175.7137.48.2109.2V38 G39 A91R26-V38 HydrophobicContact CG-CG1 3.73Å; R26-G39 CarbonylContact C-O 3.59Å; R26-G39 VanDerWaalsContact CA-O 3.29Å; R26-G39 WeakPolarHBondContact CA-O 3.49Å; R26-A91 HydrophobicContact CB-CB 4.01Å; R26-A91 HydrophobicContact CG-CB 3.78Å; R26-A91 WeakPolarHBondContact O-CB 3.47Å; R26-A91 PolarHBondContact O-N 3.31Å
27I96.6Very high93.3Very high0 Ų062.2 Ų62.20%031%0.314CS..EExtended strand (participates in β ladder)trans-117.4152.1176.960.8166.2000110Y22 K25 V29 V38 G39 L41 M50 I52 V88 C89Y22-I27 HydrophobicContact CD1-CG2 4.47Å; Y22-I27 HydrophobicContact CG-CG2 4.33Å; K25-I27 PolarHBondContact O-N 3.04Å; I27-V29 HydrophobicContact CD1-CG2 3.71Å; I27-V29 HydrophobicContact CG1-CG2 4.15Å; I27-V38 VanDerWaalsContact O-CA 3.3Å; I27-V38 WeakPolarHBondContact O-CA 3.47Å; I27-G39 PolarHBondContact N-O 3.15Å; I27-G39 PolarHBondContact O-N 3.46Å; I27-G39 VanDerWaalsContact O-N 3.08Å; I27-L41 HydrophobicContact CD1-CB 3.86Å; I27-L41 HydrophobicContact CD1-CD1 4.07Å; I27-L41 HydrophobicContact CD1-CD2 4.39Å; I27-L41 HydrophobicContact CD1-CG 4.33Å; I27-L41 HydrophobicContact CG1-CB 4.17Å; I27-L41 HydrophobicContact CG2-CB 4.48Å; I27-M50 HydrophobicContact CD1-SD 4.05Å; I27-I52 HydrophobicContact CD1-CD1 4.03Å; I27-I52 HydrophobicContact CG1-CD1 4.44Å; I27-V88 HydrophobicContact CB-CG1 4.38Å; I27-V88 HydrophobicContact CD1-CG1 4.09Å; I27-C89 CarbonylContact C-O 3.57Å; I27-C89 WeakPolarHBondContact CA-O 3.22Å
28R95.6Very high93.9Very high47 Ų4758.5 Ų58.518%0.17730%0.295CS..EExtended strand (participates in β ladder)trans-109.1131.2168.2179.5-180-76.2-91.81.8108.2E36 A37 V38 V88 C89 M94R28-E36 WeakPolarHBondContact CD-OE1 3.37Å; R28-E36 HydrophobicContact CG-CG 4.31Å; R28-E36 IonicContact CZ-OE1 3.53Å; R28-E36 IonicContact NE-OE1 3.69Å; R28-E36 IonicContact NH1-OE1 2.65Å; R28-E36 PolarHBondContact NH1-OE1 3.48Å; R28-A37 CarbonylContact C-O 3.52Å; R28-A37 WeakPolarHBondContact CA-O 3.36Å; R28-V38 HydrophobicContact CB-CG2 3.76Å; R28-V38 HydrophobicContact CG-CG2 3.71Å; R28-V88 WeakPolarHBondContact O-CA 3.46Å; R28-C89 PolarHBondContact N-O 3.42Å; R28-C89 PolarHBondContact O-N 3.5Å; R28-M94 WeakPolarHBondContact CD-SD 3.47Å; R28-M94 PolarHBondContact NE-SD 2.65Å; R28-M94 VanDerWaalsContact NE-SD 3.36Å
29V95.8Very high94.3Very high0 Ų055.1 Ų55.10%028%0.277CS..EExtended strand (participates in β ladder)trans-124127.4-176.5-174.10000109I27 F31 E36 A37 M50 I52 V85 L87 V88I27-V29 HydrophobicContact CD1-CG2 3.71Å; I27-V29 HydrophobicContact CG1-CG2 4.15Å; V29-F31 HydrophobicContact CB-CE2 4.19Å; V29-F31 HydrophobicContact CB-CZ 4.16Å; V29-F31 HydrophobicContact CG1-CD1 4.49Å; V29-F31 HydrophobicContact CG1-CD2 4.45Å; V29-F31 HydrophobicContact CG1-CE1 3.9Å; V29-F31 HydrophobicContact CG1-CE2 3.85Å; V29-F31 HydrophobicContact CG1-CZ 3.52Å; V29-E36 WeakPolarHBondContact O-CA 3.48Å; V29-A37 PolarHBondContact N-O 3.49Å; V29-A37 PolarHBondContact O-N 3.17Å; V29-M50 HydrophobicContact CG1-CE 3.82Å; V29-M50 HydrophobicContact CG2-CE 4.09Å; V29-M50 HydrophobicContact CG2-SD 4.36Å; V29-I52 HydrophobicContact CG2-CD1 3.78Å; V29-V85 HydrophobicContact CG1-CG1 3.96Å; V29-V85 HydrophobicContact CG1-CG2 4.19Å; V29-L87 WeakPolarHBondContact CA-O 3.47Å; V29-V88 HydrophobicContact CG1-CG2 4.4Å; V29-V88 HydrophobicContact CG2-CG2 4.4Å
30K94.6Very high94.6Very high65 Ų6557.1 Ų57.128%0.28329%0.287SS..EExtended strand (participates in β ladder)trans-105.7135.3170-59.6-171.3176.9-164.70109.7E36 E86 L87K30-E36 VanDerWaalsContact CE-CD 3.44Å; K30-E36 VanDerWaalsContact CE-OE1 3.27Å; K30-E36 WeakPolarHBondContact CE-OE1 3.39Å; K30-E36 WeakPolarHBondContact CE-OE2 3.14Å; K30-E36 HydrophobicContact CG-CG 4.18Å; K30-E36 IonicContact NZ-OE2 3.61Å; K30-E86 PolarHBondContact O-N 2.91Å; K30-L87 HydrophobicContact CB-CB 4.05Å; K30-L87 HydrophobicContact CD-CD2 4.01Å; K30-L87 HydrophobicContact CG-CB 4.37Å; K30-L87 HydrophobicContact CG-CD2 4.27Å; K30-L87 PolarHBondContact N-O 3.24Å; K30-L87 PolarHBondContact O-N 2.81Å
31F95.1Very high94.9Very high24 Ų2452.6 Ų52.611%0.10526%0.263CS..EExtended strand (participates in β ladder)trans-108.3154.8179.2-59.1-85.4000111.3V29 G33 G34 R35 A37 C80 S84 V85V29-F31 HydrophobicContact CB-CE2 4.19Å; V29-F31 HydrophobicContact CB-CZ 4.16Å; V29-F31 HydrophobicContact CG1-CD1 4.49Å; V29-F31 HydrophobicContact CG1-CD2 4.45Å; V29-F31 HydrophobicContact CG1-CE1 3.9Å; V29-F31 HydrophobicContact CG1-CE2 3.85Å; V29-F31 HydrophobicContact CG1-CZ 3.52Å; F31-G33 PolarHBondContact O-N 3.43Å; F31-G34 WeakPolarHBondContact O-CA 3.42Å; F31-G34 PolarHBondContact O-N 3.01Å; F31-R35 HydrophobicContact CB-CB 4.22Å; F31-R35 HydrophobicContact CD2-CB 4.11Å; F31-R35 WeakPolarHBondContact CD2-O 3.39Å; F31-R35 PolarHBondContact N-O 2.82Å; F31-A37 HydrophobicContact CE2-CB 4.1Å; F31-C80 HydrophobicContact CE1-CB 3.85Å; F31-C80 HydrophobicContact CZ-CB 3.8Å; F31-S84 CarbonylContact C-O 3.6Å; F31-S84 WeakPolarHBondContact CA-O 3.34Å; F31-S84 WeakPolarHBondContact CB-O 3.49Å; F31-V85 HydrophobicContact CD1-CG2 4.1Å; F31-V85 HydrophobicContact CE1-CG2 3.79Å
32S93.4Very high95.1Very high59 Ų5950.2 Ų50.241%0.41325%0.253SS..THydrogen-bonded Turntrans-51.8133.4165.962.20000110.8G34 S84 E86S32-G34 VanDerWaalsContact C-N 3.32Å; S32-S84 PolarHBondContact N-O 2.85Å; S32-S84 PolarHBondContact OG-O 2.86Å; S32-E86 VanDerWaalsContact CA-OE1 3.23Å; S32-E86 WeakPolarHBondContact CA-OE1 3.41Å
33G88.3Confident95.2Very high81 Ų8147.8 Ų47.884%0.83525%0.249SC*.THydrogen-bonded Turntrans86.23.2-171.800000113.9F31F31-G33 PolarHBondContact O-N 3.43Å
34G89.7Confident95.2Very high11 Ų1146.6 Ų46.611%0.11325%0.246CC..SBendtrans95.8-11.8167.400000115.7F31 S32 E36 R60F31-G34 WeakPolarHBondContact O-CA 3.42Å; F31-G34 PolarHBondContact O-N 3.01Å; S32-G34 VanDerWaalsContact C-N 3.32Å; G34-E36 PolarHBondContact O-N 3.13Å; G34-R60 VanDerWaalsContact C-CZ 3.42Å; G34-R60 VanDerWaalsContact C-NH2 3.34Å; G34-R60 PolarHBondContact O-NE 2.92Å; G34-R60 PolarHBondContact O-NH2 2.65Å
35R92.1Very high95Very high128 Ų12845.1 Ų45.148%0.48324%0.238SC..  trans-55.5139.6-179.3-61.7177.565-163.5-2.1110.8F31 E57F31-R35 HydrophobicContact CB-CB 4.22Å; F31-R35 HydrophobicContact CD2-CB 4.11Å; F31-R35 WeakPolarHBondContact CD2-O 3.39Å; F31-R35 PolarHBondContact N-O 2.82Å; R35-E57 IonicContact CZ-OE1 2.9Å; R35-E57 VanDerWaalsContact CZ-OE1 3.25Å; R35-E57 IonicContact NE-OE1 3.25Å; R35-E57 PolarHBondContact NE-OE1 2.79Å; R35-E57 VanDerWaalsContact NH2-CD 3.34Å; R35-E57 IonicContact NH2-OE1 3.34Å; R35-E57 PolarHBondContact NH2-OE1 3.07Å; R35-E57 IonicContact NH2-OE2 3.07Å; R35-E57 PolarHBondContact NH2-OE2 2.8Å
36E94.1Very high94.5Very high3 Ų346.6 Ų46.61%0.01425%0.251CS..EExtended strand (participates in β ladder)trans-133.9125.8-175.5-178.1158.4-177.900109.6R28 V29 K30 G34 E57 F58 L68R28-E36 WeakPolarHBondContact CD-OE1 3.37Å; R28-E36 HydrophobicContact CG-CG 4.31Å; R28-E36 IonicContact CZ-OE1 3.53Å; R28-E36 IonicContact NE-OE1 3.69Å; R28-E36 IonicContact NH1-OE1 2.65Å; R28-E36 PolarHBondContact NH1-OE1 3.48Å; V29-E36 WeakPolarHBondContact O-CA 3.48Å; K30-E36 VanDerWaalsContact CE-CD 3.44Å; K30-E36 VanDerWaalsContact CE-OE1 3.27Å; K30-E36 WeakPolarHBondContact CE-OE1 3.39Å; K30-E36 WeakPolarHBondContact CE-OE2 3.14Å; K30-E36 HydrophobicContact CG-CG 4.18Å; K30-E36 IonicContact NZ-OE2 3.61Å; G34-E36 PolarHBondContact O-N 3.13Å; E36-E57 CarbonylContact O-C 3.56Å; E36-E57 WeakPolarHBondContact O-CA 3.16Å; E36-F58 HydrophobicContact CB-CB 4.39Å; E36-F58 HydrophobicContact CG-CD2 4.28Å; E36-F58 PolarHBondContact O-N 2.78Å; E36-L68 HydrophobicContact CB-CD2 4.26Å; E36-L68 WeakPolarHBondContact OE2-CD1 3.36Å
37A95.3Very high94.2Very high6 Ų646 Ų465%0.0526%0.258CS..EExtended strand (participates in β ladder)trans-131.5147.4-17700000110.9R28 V29 F31 T55 T56R28-A37 CarbonylContact C-O 3.52Å; R28-A37 WeakPolarHBondContact CA-O 3.36Å; V29-A37 PolarHBondContact N-O 3.49Å; V29-A37 PolarHBondContact O-N 3.17Å; F31-A37 HydrophobicContact CE2-CB 4.1Å; A37-T55 HydrophobicContact CB-CG2 3.92Å; A37-T56 CarbonylContact C-O 3.44Å; A37-T56 WeakPolarHBondContact CA-O 3.23Å
38V96.2Very high93.9Very high4 Ų448.8 Ų48.82%0.02427%0.27CS..EExtended strand (participates in β ladder)trans-129.5134.4175.9176.30000109R26 I27 R28 T55 T56 F58R26-V38 HydrophobicContact CG-CG1 3.73Å; I27-V38 VanDerWaalsContact O-CA 3.3Å; I27-V38 WeakPolarHBondContact O-CA 3.47Å; R28-V38 HydrophobicContact CB-CG2 3.76Å; R28-V38 HydrophobicContact CG-CG2 3.71Å; V38-T55 CarbonylContact O-C 3.59Å; V38-T55 WeakPolarHBondContact O-CA 3.42Å; V38-T56 PolarHBondContact N-O 2.83Å; V38-T56 PolarHBondContact O-N 2.96Å; V38-F58 HydrophobicContact CB-CE2 4.13Å; V38-F58 HydrophobicContact CG2-CD2 4.34Å; V38-F58 HydrophobicContact CG2-CE2 3.55Å; V38-F58 HydrophobicContact CG2-CZ 4.42Å
39G97.4Very high93.9Very high0 Ų047.8 Ų47.80%027%0.269CS..EExtended strand (participates in β ladder)trans-175.2-172.2175.400000111.7R26 I27 I52 D53R26-G39 CarbonylContact C-O 3.59Å; R26-G39 VanDerWaalsContact CA-O 3.29Å; R26-G39 WeakPolarHBondContact CA-O 3.49Å; I27-G39 PolarHBondContact N-O 3.15Å; I27-G39 PolarHBondContact O-N 3.46Å; I27-G39 VanDerWaalsContact O-N 3.08Å; G39-I52 VanDerWaalsContact C-CG2 3.44Å; G39-I52 VanDerWaalsContact CA-CG2 3.43Å; G39-D53 WeakPolarHBondContact CA-O 3.29Å
40I97.7Very high93.9Very high51 Ų5147.9 Ų47.926%0.26227%0.269SS..EExtended strand (participates in β ladder)trans-92.5122.2-177.3-57.6175.3000109.5K25 K42 I52 D53K25-I40 WeakPolarHBondContact O-CA 3.45Å; I40-K42 HydrophobicContact CG2-CD 4.37Å; I40-K42 PolarHBondContact O-N 2.87Å; I40-I52 CarbonylContact O-C 3.53Å; I40-I52 WeakPolarHBondContact O-CA 3.49Å; I40-D53 PolarHBondContact N-O 2.94Å; I40-D53 PolarHBondContact O-N 3.29Å
41L97.8Very high94.1Very high0 Ų047.3 Ų47.30%027%0.271CS..EExtended strand (participates in β ladder)trans-70.5116.2176.8-179.264.5000110.3L19 Y22 D24 K25 I27 G43 M50L19-L41 HydrophobicContact CB-CD2 4.32Å; L19-L41 WeakPolarHBondContact O-CD2 3.27Å; Y22-L41 WeakPolarHBondContact O-CB 3.47Å; D24-L41 PolarHBondContact N-O 3Å; K25-L41 PolarHBondContact O-N 3.42Å; I27-L41 HydrophobicContact CD1-CB 3.86Å; I27-L41 HydrophobicContact CD1-CD1 4.07Å; I27-L41 HydrophobicContact CD1-CD2 4.39Å; I27-L41 HydrophobicContact CD1-CG 4.33Å; I27-L41 HydrophobicContact CG1-CB 4.17Å; I27-L41 HydrophobicContact CG2-CB 4.48Å; L41-G43 WeakPolarHBondContact CD1-O 3.39Å; L41-M50 HydrophobicContact CD1-CB 3.81Å; L41-M50 HydrophobicContact CD1-CG 3.91Å; L41-M50 HydrophobicContact CD1-SD 4.38Å
42K97.9Very high94.2Very high89 Ų8946.1 Ų46.139%0.38727%0.266SS..EExtended strand (participates in β ladder)trans-97.3-23.6177.8-66.4-59.7-179.7-1780113.9D24 I40 V51 D53D24-K42 IonicContact OD1-NZ 2.8Å; D24-K42 PolarHBondContact OD1-NZ 2.98Å; I40-K42 HydrophobicContact CG2-CD 4.37Å; I40-K42 PolarHBondContact O-N 2.87Å; K42-V51 HydrophobicContact CB-CB 4.37Å; K42-V51 HydrophobicContact CB-CG1 4.17Å; K42-V51 PolarHBondContact N-O 2.8Å; K42-D53 HydrophobicContact CD-CB 4.32Å; K42-D53 HydrophobicContact CG-CB 3.63Å
43G96.8Very high94.4Very high19 Ų1945.8 Ų45.820%0.19626%0.259CS..EExtended strand (participates in β ladder)trans-178.6161176.200000111.7L41 M50 V51L41-G43 WeakPolarHBondContact CD1-O 3.39Å; G43-M50 WeakPolarHBondContact O-CA 3.13Å; G43-V51 PolarHBondContact O-N 3.04Å
44C94.4Very high94.8Very high38 Ų3845.1 Ų45.126%0.25724%0.241SC..EExtended strand (participates in β ladder)trans-146.3160.2176.357.80000111.4L19 N49 M50L19-C44 HydrophobicContact CB-CB 4.21Å; L19-C44 WeakPolarHBondContact CB-SG 3.44Å; L19-C44 HydrophobicContact CD1-CB 4.03Å; C44-N49 CarbonylContact C-O 3.58Å; C44-N49 WeakPolarHBondContact CA-O 3.39Å; C44-M50 HydrophobicContact CB-CG 4.25Å
45D92.3Very high95.2Very high72 Ų7244.6 Ų44.639%0.38524%0.236SC..  trans-114.5178.5171.972.513.8000112.5L47 Q48 N49D45-L47 PolarHBondContact O-N 3.09Å; D45-L47 WeakPolarHBondContact OD1-CA 3.27Å; D45-L47 WeakPolarHBondContact OD1-CB 3.45Å; D45-L47 PolarHBondContact OD1-N 2.77Å; D45-Q48 PolarHBondContact O-N 3.26Å; D45-Q48 PolarHBondContact OD1-N 3.29Å; D45-Q48 VanDerWaalsContact OD1-N 3.11Å; D45-N49 PolarHBondContact N-O 2.83Å; D45-N49 VanDerWaalsContact N-O 3.09Å; D45-N49 WeakPolarHBondContact OD1-CB 3.29Å; D45-N49 PolarHBondContact OD1-N 3.22Å; D45-N49 PolarHBondContact OD1-ND2 2.88Å; D45-N49 WeakPolarHBondContact OD2-CB 3.21Å; D45-N49 PolarHBondContact OD2-ND2 3.11Å
46N88Confident95.4Very high144 Ų14439.2 Ų39.277%0.7722%0.217SC*.THydrogen-bonded Turntrans-66.8-16.3-179.8-67.8-19.7000113.9Q48N46-Q48 VanDerWaalsContact C-N 3.26Å
47L89Confident95.5Very high125 Ų12539.5 Ų39.565%0.65422%0.218SC*.THydrogen-bonded Turntrans-92.79.4174.7-62.2179.1000111.5D45 N49 G82D45-L47 PolarHBondContact O-N 3.09Å; D45-L47 WeakPolarHBondContact OD1-CA 3.27Å; D45-L47 WeakPolarHBondContact OD1-CB 3.45Å; D45-L47 PolarHBondContact OD1-N 2.77Å; L47-N49 PolarHBondContact O-N 3.36Å; L47-G82 WeakPolarHBondContact O-CA 3.47Å
48Q90.8Very high95.4Very high58 Ų5841.5 Ų41.527%0.27123%0.226SC..  trans60.224.8-177.4-56.4172.4-19.100113S15 L19 D45 N46 G82S15-Q48 PolarHBondContact OG-NE2 2.9Å; S15-Q48 VanDerWaalsContact OG-NE2 3.17Å; L19-Q48 HydrophobicContact CD1-CB 4.3Å; L19-Q48 HydrophobicContact CD1-CG 4.28Å; D45-Q48 PolarHBondContact O-N 3.26Å; D45-Q48 PolarHBondContact OD1-N 3.29Å; D45-Q48 VanDerWaalsContact OD1-N 3.11Å; N46-Q48 VanDerWaalsContact C-N 3.26Å; Q48-G82 WeakPolarHBondContact O-CA 3.38Å
49N94.9Very high95.2Very high26 Ų2644 Ų4414%0.13924%0.239CC..  trans-67.8136.9162.9-57.1-58.4000107.7C44 D45 L47 C80 G82C44-N49 CarbonylContact C-O 3.58Å; C44-N49 WeakPolarHBondContact CA-O 3.39Å; D45-N49 PolarHBondContact N-O 2.83Å; D45-N49 VanDerWaalsContact N-O 3.09Å; D45-N49 WeakPolarHBondContact OD1-CB 3.29Å; D45-N49 PolarHBondContact OD1-N 3.22Å; D45-N49 PolarHBondContact OD1-ND2 2.88Å; D45-N49 WeakPolarHBondContact OD2-CB 3.21Å; D45-N49 PolarHBondContact OD2-ND2 3.11Å; L47-N49 PolarHBondContact O-N 3.36Å; N49-C80 VanDerWaalsContact CA-O 3.29Å; N49-C80 WeakPolarHBondContact CA-O 3.34Å; N49-G82 PolarHBondContact OD1-N 3.07Å
50M96.6Very high94.7Very high2 Ų247.6 Ų47.61%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-125.6141.8-174.3-64.5170.5-72.300110.1L19 I27 V29 L41 G43 C44 I52 V79 C80 V85 V88L19-M50 HydrophobicContact CD1-CG 4.25Å; L19-M50 HydrophobicContact CD1-SD 4.24Å; I27-M50 HydrophobicContact CD1-SD 4.05Å; V29-M50 HydrophobicContact CG1-CE 3.82Å; V29-M50 HydrophobicContact CG2-CE 4.09Å; V29-M50 HydrophobicContact CG2-SD 4.36Å; L41-M50 HydrophobicContact CD1-CB 3.81Å; L41-M50 HydrophobicContact CD1-CG 3.91Å; L41-M50 HydrophobicContact CD1-SD 4.38Å; G43-M50 WeakPolarHBondContact O-CA 3.13Å; C44-M50 HydrophobicContact CB-CG 4.25Å; M50-I52 HydrophobicContact CB-CD1 4.42Å; M50-I52 HydrophobicContact CB-CG1 4.11Å; M50-V79 CarbonylContact O-C 3.59Å; M50-V79 WeakPolarHBondContact O-CA 3.43Å; M50-C80 HydrophobicContact CB-CB 4.17Å; M50-C80 HydrophobicContact CE-CB 4.08Å; M50-C80 PolarHBondContact N-O 3.41Å; M50-C80 VanDerWaalsContact N-O 3.07Å; M50-C80 PolarHBondContact O-N 3.04Å; M50-V85 HydrophobicContact CE-CB 4.47Å; M50-V85 HydrophobicContact CE-CG1 4.17Å; M50-V85 HydrophobicContact CE-CG2 3.5Å; M50-V85 VanDerWaalsContact CE-CG2 3.5Å; M50-V88 HydrophobicContact CE-CG2 4.23Å; M50-V88 HydrophobicContact SD-CG2 4.14Å
51V98Very high94Very high53 Ų5346.9 Ų46.932%0.32125%0.25SC..EExtended strand (participates in β ladder)trans-100.3119.3165.5-176.70000106.9K42 G43 L77 V78K42-V51 HydrophobicContact CB-CB 4.37Å; K42-V51 HydrophobicContact CB-CG1 4.17Å; K42-V51 PolarHBondContact N-O 2.8Å; G43-V51 PolarHBondContact O-N 3.04Å; V51-L77 HydrophobicContact CG1-CD1 3.67Å; V51-L77 HydrophobicContact CG1-CG 4.49Å; V51-V78 WeakPolarHBondContact CA-O 3.3Å
52I97.9Very high93.3Very high0 Ų052.6 Ų52.60%029%0.286CS..EExtended strand (participates in β ladder)trans-120.6127.5-178-52.2-176.2000108.6I27 V29 G39 I40 M50 T55 L77 V78 C80I27-I52 HydrophobicContact CD1-CD1 4.03Å; I27-I52 HydrophobicContact CG1-CD1 4.44Å; V29-I52 HydrophobicContact CG2-CD1 3.78Å; G39-I52 VanDerWaalsContact C-CG2 3.44Å; G39-I52 VanDerWaalsContact CA-CG2 3.43Å; I40-I52 CarbonylContact O-C 3.53Å; I40-I52 WeakPolarHBondContact O-CA 3.49Å; M50-I52 HydrophobicContact CB-CD1 4.42Å; M50-I52 HydrophobicContact CB-CG1 4.11Å; I52-T55 WeakPolarHBondContact CG2-OG1 3.39Å; I52-T55 PolarHBondContact O-OG1 3.25Å; I52-T55 VanDerWaalsContact O-OG1 3.11Å; I52-L77 WeakPolarHBondContact O-CA 3.35Å; I52-V78 HydrophobicContact CB-CG2 3.93Å; I52-V78 PolarHBondContact N-O 3.04Å; I52-V78 PolarHBondContact O-N 2.8Å; I52-C80 VanDerWaalsContact CD1-SG 3.52Å
53D98Very high92.7Very high51 Ų5155.6 Ų55.627%0.27331%0.307SS..EExtended strand (participates in β ladder)trans-104.3156.7178.6-166.214.4000111.1G39 I40 K42 T55 L77G39-D53 WeakPolarHBondContact CA-O 3.29Å; I40-D53 PolarHBondContact N-O 2.94Å; I40-D53 PolarHBondContact O-N 3.29Å; K42-D53 HydrophobicContact CD-CB 4.32Å; K42-D53 HydrophobicContact CG-CB 3.63Å; D53-T55 VanDerWaalsContact C-N 3.27Å; D53-T55 PolarHBondContact O-N 3.08Å; D53-L77 HydrophobicContact CB-CD1 3.98Å
54C97Very high91.9Very high67 Ų6758 Ų5845%0.45332%0.315SS..EExtended strand (participates in β ladder)trans48.349.1-173.2-56.60000112.4A76C54-A76 PolarHBondContact N-O 2.82Å
55T97.7Very high91Very high1 Ų160 Ų601%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-80.4121-172.7-55.20000111.8A37 V38 I52 D53 L75 A76 V78A37-T55 HydrophobicContact CB-CG2 3.92Å; V38-T55 CarbonylContact O-C 3.59Å; V38-T55 WeakPolarHBondContact O-CA 3.42Å; I52-T55 WeakPolarHBondContact CG2-OG1 3.39Å; I52-T55 PolarHBondContact O-OG1 3.25Å; I52-T55 VanDerWaalsContact O-OG1 3.11Å; D53-T55 VanDerWaalsContact C-N 3.27Å; D53-T55 PolarHBondContact O-N 3.08Å; T55-L75 PolarHBondContact O-N 3.32Å; T55-A76 WeakPolarHBondContact CB-O 3.43Å; T55-A76 PolarHBondContact N-O 2.97Å; T55-A76 PolarHBondContact OG1-O 2.88Å; T55-A76 VanDerWaalsContact OG1-O 3.07Å; T55-V78 HydrophobicContact CG2-CG1 4.27Å; T55-V78 HydrophobicContact CG2-CG2 3.91Å; T55-V78 WeakPolarHBondContact OG1-CG2 3.46Å
56T96.6Very high90.1Very high15 Ų1564.4 Ų64.49%0.09235%0.346CS..EExtended strand (participates in β ladder)trans-103.6121.3168.8-49.20000109A37 V38 T72 R73 E74A37-T56 CarbonylContact C-O 3.44Å; A37-T56 WeakPolarHBondContact CA-O 3.23Å; V38-T56 PolarHBondContact N-O 2.83Å; V38-T56 PolarHBondContact O-N 2.96Å; T56-T72 HydrophobicContact CG2-CG2 3.79Å; T56-R73 WeakPolarHBondContact CA-O 3.36Å; T56-E74 WeakPolarHBondContact CB-OE1 3.35Å; T56-E74 WeakPolarHBondContact CG2-OE1 3.33Å; T56-E74 PolarHBondContact OG1-OE1 2.64Å
57E95.9Very high89.6Confident8 Ų865.2 Ų65.24%0.03734%0.338CS..EExtended strand (participates in β ladder)trans-95.9133171.7178.1174.1-164.800110.7R35 E36 T72 R73 L75R35-E57 IonicContact CZ-OE1 2.9Å; R35-E57 VanDerWaalsContact CZ-OE1 3.25Å; R35-E57 IonicContact NE-OE1 3.25Å; R35-E57 PolarHBondContact NE-OE1 2.79Å; R35-E57 VanDerWaalsContact NH2-CD 3.34Å; R35-E57 IonicContact NH2-OE1 3.34Å; R35-E57 PolarHBondContact NH2-OE1 3.07Å; R35-E57 IonicContact NH2-OE2 3.07Å; R35-E57 PolarHBondContact NH2-OE2 2.8Å; E36-E57 CarbonylContact O-C 3.56Å; E36-E57 WeakPolarHBondContact O-CA 3.16Å; E57-T72 CarbonylContact O-C 3.56Å; E57-T72 WeakPolarHBondContact O-CA 3.45Å; E57-R73 HydrophobicContact CB-CG 3.91Å; E57-R73 VanDerWaalsContact CD-NH2 3.31Å; E57-R73 PolarHBondContact N-O 2.62Å; E57-R73 PolarHBondContact O-N 2.86Å; E57-R73 IonicContact OE1-NH2 2.65Å; E57-R73 PolarHBondContact OE1-NH2 3.41Å; E57-R73 IonicContact OE2-CZ 3.07Å; E57-R73 IonicContact OE2-NE 2.71Å; E57-R73 PolarHBondContact OE2-NE 3.47Å; E57-R73 IonicContact OE2-NH2 2.74Å; E57-R73 PolarHBondContact OE2-NH2 2.67Å; E57-L75 HydrophobicContact CB-CD1 4.1Å
58F93.1Very high88.7Confident48 Ų4862.5 Ų62.521%0.21132%0.324CS..EExtended strand (participates in β ladder)trans-86122.1172.1-66.5-96.8000109E36 V38 L68 T72E36-F58 HydrophobicContact CB-CB 4.39Å; E36-F58 HydrophobicContact CG-CD2 4.28Å; E36-F58 PolarHBondContact O-N 2.78Å; V38-F58 HydrophobicContact CB-CE2 4.13Å; V38-F58 HydrophobicContact CG2-CD2 4.34Å; V38-F58 HydrophobicContact CG2-CE2 3.55Å; V38-F58 HydrophobicContact CG2-CZ 4.42Å; F58-L68 HydrophobicContact CB-CD2 3.73Å; F58-T72 HydrophobicContact CD1-CG2 3.87Å; F58-T72 HydrophobicContact CE1-CG2 3.91Å; F58-T72 HydrophobicContact CG-CG2 4.39Å; F58-T72 HydrophobicContact CZ-CG2 4.45Å
59L91Very high88.2Confident57 Ų5761.1 Ų61.130%0.29832%0.319SS..EExtended strand (participates in β ladder)trans-77.4151.2178.6-58.6179.6000109.8T69 D71 R73L59-T69 PolarHBondContact O-N 2.85Å; L59-T69 PolarHBondContact O-OG1 3.04Å; L59-T69 VanDerWaalsContact O-OG1 3.07Å; L59-D71 HydrophobicContact CB-CB 4.18Å; L59-D71 WeakPolarHBondContact CB-O 3.11Å; L59-D71 HydrophobicContact CD1-CB 4Å; L59-D71 HydrophobicContact CG-CB 4.43Å; L59-D71 PolarHBondContact N-O 2.91Å; L59-R73 HydrophobicContact CD2-CG 4.11Å
60R86.6Confident87.6Confident75 Ų7569 Ų6928%0.28336%0.355SS..EExtended strand (participates in β ladder)trans-102.6152.1174.7-71.9-170.5171.8-131.3-2.7109.4G34 P65G34-R60 VanDerWaalsContact C-CZ 3.42Å; G34-R60 VanDerWaalsContact C-NH2 3.34Å; G34-R60 PolarHBondContact O-NE 2.92Å; G34-R60 PolarHBondContact O-NH2 2.65Å; R60-P65 WeakPolarHBondContact CD-O 3.44Å; R60-P65 PolarHBondContact NH1-O 2.82Å
61D84.1Confident87.3Confident37 Ų3773.7 Ų73.720%0.19838%0.381CS..PPolyproline II helixtrans-62.8125.2173.7-166.9-40.1000108.3D63 D64 R67 T69D61-D63 PolarHBondContact O-N 2.82Å; D61-D63 WeakPolarHBondContact OD1-CB 3.48Å; D61-D63 PolarHBondContact OD1-N 2.93Å; D61-D64 HydrophobicContact CB-CB 4.43Å; D61-D64 CarbonylContact O-C 3.3Å; D61-D64 VanDerWaalsContact O-C 3.3Å; D61-D64 PolarHBondContact O-N 2.85Å; D61-D64 PolarHBondContact OD1-N 2.83Å; D61-R67 HydrophobicContact CB-CB 4.12Å; D61-R67 PolarHBondContact N-O 3.22Å; D61-T69 HydrophobicContact CB-CG2 3.85Å
62P83Confident87.1Confident119 Ų11974.7 Ų74.777%0.77339%0.387SS*.SBendtrans-63.4-24.6177.924.5-32.4000112.8
63D84.5Confident87Confident153 Ų15380 Ų8082%0.81841%0.407SS*.SBendtrans-90.2-29.1-179.8-63.1-38.9000112.3D61D61-D63 PolarHBondContact O-N 2.82Å; D61-D63 WeakPolarHBondContact OD1-CB 3.48Å; D61-D63 PolarHBondContact OD1-N 2.93Å
64D81.1Confident87Confident69 Ų6983.6 Ų83.637%0.36942%0.422SS..  trans-129.397.2175.3-175.2-1.5000111.8D61 H66 R67D61-D64 HydrophobicContact CB-CB 4.43Å; D61-D64 CarbonylContact O-C 3.3Å; D61-D64 VanDerWaalsContact O-C 3.3Å; D61-D64 PolarHBondContact O-N 2.85Å; D61-D64 PolarHBondContact OD1-N 2.83Å; D64-H66 PolarHBondContact O-N 3.07Å; D64-H66 WeakPolarHBondContact OD1-CB 3.4Å; D64-H66 IonicContact OD1-CD2 3.7Å; D64-H66 IonicContact OD1-CG 3.93Å; D64-H66 PolarHBondContact OD1-N 3.11Å; D64-R67 HydrophobicContact CB-CB 4.11Å; D64-R67 PolarHBondContact O-N 3.34Å
65P75.4Confident87Confident80 Ų8083.5 Ų83.552%0.51942%0.416SS..THydrogen-bonded Turntrans-58.6-13.7177.3-24.734000114.1R60R60-P65 WeakPolarHBondContact CD-O 3.44Å; R60-P65 PolarHBondContact NH1-O 2.82Å
66H73.9Confident86.9Confident165 Ų16586.2 Ų86.276%0.76444%0.439SS*.THydrogen-bonded Turntrans-90.3-11.5177.8-61.9-74.3000113.6D64D64-H66 PolarHBondContact O-N 3.07Å; D64-H66 WeakPolarHBondContact OD1-CB 3.4Å; D64-H66 IonicContact OD1-CD2 3.7Å; D64-H66 IonicContact OD1-CG 3.93Å; D64-H66 PolarHBondContact OD1-N 3.11Å
67R76Confident87Confident160 Ų16090.7 Ų90.760%0.60446%0.462SS*.PPolyproline II helixtrans-97.1119.6-179.6-168.7174.4179.6170.8-2.2110.8D61 D64D61-R67 HydrophobicContact CB-CB 4.12Å; D61-R67 PolarHBondContact N-O 3.22Å; D64-R67 HydrophobicContact CB-CB 4.11Å; D64-R67 PolarHBondContact O-N 3.34Å
68L71.6Confident87.1Confident69 Ų6991.7 Ų91.736%0.36147%0.468SS..EExtended strand (participates in β ladder)trans-71.8128.4163.9-75.4153.9000107.8E36 F58E36-L68 HydrophobicContact CB-CD2 4.26Å; E36-L68 WeakPolarHBondContact OE2-CD1 3.36Å; F58-L68 HydrophobicContact CB-CD2 3.73Å
69T79.3Confident87.3Confident29 Ų2994.5 Ų94.518%0.17849%0.49CS..EExtended strand (participates in β ladder)trans-81.8164.5166.462.40000108.9L59 D61 D71L59-T69 PolarHBondContact O-N 2.85Å; L59-T69 PolarHBondContact O-OG1 3.04Å; L59-T69 VanDerWaalsContact O-OG1 3.07Å; D61-T69 HydrophobicContact CB-CG2 3.85Å; T69-D71 PolarHBondContact O-N 2.93Å; T69-D71 WeakPolarHBondContact OG1-CB 3.39Å; T69-D71 PolarHBondContact OG1-N 2.86Å
70E82.1Confident87.5Confident190 Ų19092.2 Ų92.289%0.88848%0.478SS*.EExtended strand (participates in β ladder)trans-74.3-6.4169.3-63.9-172.7170.500111.7T72E70-T72 PolarHBondContact O-N 2.97Å
71D89.9Confident88Confident102 Ų10296.6 Ų96.655%0.54550%0.495SS..EExtended strand (participates in β ladder)trans-72.1128.8-178.9-58.7-43.1000110.8L59 T69L59-D71 HydrophobicContact CB-CB 4.18Å; L59-D71 WeakPolarHBondContact CB-O 3.11Å; L59-D71 HydrophobicContact CD1-CB 4Å; L59-D71 HydrophobicContact CG-CB 4.43Å; L59-D71 PolarHBondContact N-O 2.91Å; T69-D71 PolarHBondContact O-N 2.93Å; T69-D71 WeakPolarHBondContact OG1-CB 3.39Å; T69-D71 PolarHBondContact OG1-N 2.86Å
72T94.8Very high88.5Confident74 Ų7495 Ų9545%0.45449%0.488SS..EExtended strand (participates in β ladder)trans-122.2151177.458.60000111.1T56 E57 F58 E70T56-T72 HydrophobicContact CG2-CG2 3.79Å; E57-T72 CarbonylContact O-C 3.56Å; E57-T72 WeakPolarHBondContact O-CA 3.45Å; F58-T72 HydrophobicContact CD1-CG2 3.87Å; F58-T72 HydrophobicContact CE1-CG2 3.91Å; F58-T72 HydrophobicContact CG-CG2 4.39Å; F58-T72 HydrophobicContact CZ-CG2 4.45Å; E70-T72 PolarHBondContact O-N 2.97Å
73R95.5Very high89Confident112 Ų11294.5 Ų94.542%0.42348%0.484SS..EExtended strand (participates in β ladder)trans-125.2140.8167.467.4175.3179.6-165-2.7111.9T56 E57 L59 L75T56-R73 WeakPolarHBondContact CA-O 3.36Å; E57-R73 HydrophobicContact CB-CG 3.91Å; E57-R73 VanDerWaalsContact CD-NH2 3.31Å; E57-R73 PolarHBondContact N-O 2.62Å; E57-R73 PolarHBondContact O-N 2.86Å; E57-R73 IonicContact OE1-NH2 2.65Å; E57-R73 PolarHBondContact OE1-NH2 3.41Å; E57-R73 IonicContact OE2-CZ 3.07Å; E57-R73 IonicContact OE2-NE 2.71Å; E57-R73 PolarHBondContact OE2-NE 3.47Å; E57-R73 IonicContact OE2-NH2 2.74Å; E57-R73 PolarHBondContact OE2-NH2 2.67Å; L59-R73 HydrophobicContact CD2-CG 4.11Å; R73-L75 HydrophobicContact CG-CD2 4.34Å
74E97.1Very high89.6Confident125 Ų12589.5 Ų89.558%0.58446%0.461SS*.EExtended strand (participates in β ladder)trans-85.9129.3175.3-68.1-61.5135.100110.4T56T56-E74 WeakPolarHBondContact CB-OE1 3.35Å; T56-E74 WeakPolarHBondContact CG2-OE1 3.33Å; T56-E74 PolarHBondContact OG1-OE1 2.64Å
75L97.3Very high90.2Very high65 Ų6587.4 Ų87.434%0.3445%0.451SS..EExtended strand (participates in β ladder)trans-116.3-5.6178.4-60.3179000112.9T55 E57 R73 L77 V78T55-L75 PolarHBondContact O-N 3.32Å; E57-L75 HydrophobicContact CB-CD1 4.1Å; R73-L75 HydrophobicContact CG-CD2 4.34Å; L75-L77 PolarHBondContact O-N 2.7Å; L75-V78 HydrophobicContact CB-CG1 3.51Å; L75-V78 HydrophobicContact CD1-CG1 4.09Å; L75-V78 HydrophobicContact CG-CG1 4.47Å
76A96.7Very high91.1Very high58 Ų5890.1 Ų90.148%0.47946%0.457SS..EExtended strand (participates in β ladder)trans56.2-116.1-174.800000112.2C54 T55C54-A76 PolarHBondContact N-O 2.82Å; T55-A76 WeakPolarHBondContact CB-O 3.43Å; T55-A76 PolarHBondContact N-O 2.97Å; T55-A76 PolarHBondContact OG1-O 2.88Å; T55-A76 VanDerWaalsContact OG1-O 3.07Å
77L98Very high92Very high109 Ų10986.2 Ų86.257%0.57144%0.441SS*.EExtended strand (participates in β ladder)trans-90.3121.1-178.5-174.668.9000110.8V51 I52 D53 L75V51-L77 HydrophobicContact CG1-CD1 3.67Å; V51-L77 HydrophobicContact CG1-CG 4.49Å; I52-L77 WeakPolarHBondContact O-CA 3.35Å; D53-L77 HydrophobicContact CB-CD1 3.98Å; L75-L77 PolarHBondContact O-N 2.7Å
78V97.7Very high92.9Very high29 Ų2980.6 Ų80.618%0.17642%0.424CS..EExtended strand (participates in β ladder)trans-127.3156.5-179.8-52.60000112.1V51 I52 T55 L75V51-V78 WeakPolarHBondContact CA-O 3.3Å; I52-V78 HydrophobicContact CB-CG2 3.93Å; I52-V78 PolarHBondContact N-O 3.04Å; I52-V78 PolarHBondContact O-N 2.8Å; T55-V78 HydrophobicContact CG2-CG1 4.27Å; T55-V78 HydrophobicContact CG2-CG2 3.91Å; T55-V78 WeakPolarHBondContact OG1-CG2 3.46Å; L75-V78 HydrophobicContact CB-CG1 3.51Å; L75-V78 HydrophobicContact CD1-CG1 4.09Å; L75-V78 HydrophobicContact CG-CG1 4.47Å
79V97.4Very high93.9Very high108 Ų10878.7 Ų78.766%0.65542%0.416SS*.EExtended strand (participates in β ladder)trans-110.8117.1166.6-178.30000108.8M50M50-V79 CarbonylContact O-C 3.59Å; M50-V79 WeakPolarHBondContact O-CA 3.43Å
80C96.5Very high94.6Very high9 Ų979.5 Ų79.56%0.06142%0.422CS..EExtended strand (participates in β ladder)trans-91.2134.2177.3-580000110.1F31 N49 M50 I52F31-C80 HydrophobicContact CE1-CB 3.85Å; F31-C80 HydrophobicContact CZ-CB 3.8Å; N49-C80 VanDerWaalsContact CA-O 3.29Å; N49-C80 WeakPolarHBondContact CA-O 3.34Å; M50-C80 HydrophobicContact CB-CB 4.17Å; M50-C80 HydrophobicContact CE-CB 4.08Å; M50-C80 PolarHBondContact N-O 3.41Å; M50-C80 VanDerWaalsContact N-O 3.07Å; M50-C80 PolarHBondContact O-N 3.04Å; I52-C80 VanDerWaalsContact CD1-SG 3.52Å
81R96.3Very high94.9Very high166 Ų16671.8 Ų71.863%0.62639%0.391SS*.  trans-84.9113.5178.9-65.5-72.1-67.1-178.4-0.8109.7P83 S84R81-P83 VanDerWaalsContact C-CD 3.44Å; R81-P83 VanDerWaalsContact C-N 3.35Å; R81-S84 PolarHBondContact O-N 3.05Å
82G94.2Very high94.8Very high5 Ų574 Ų745%0.05240%0.403CS..G310 helixtrans-52.3-40.6-178.900000115.3L47 Q48 N49 S84 V85L47-G82 WeakPolarHBondContact O-CA 3.47Å; Q48-G82 WeakPolarHBondContact O-CA 3.38Å; N49-G82 PolarHBondContact OD1-N 3.07Å; G82-S84 PolarHBondContact O-N 2.87Å; G82-V85 WeakPolarHBondContact O-CB 3.42Å; G82-V85 PolarHBondContact O-N 2.89Å
83P94.8Very high94.5Very high107 Ų10774.2 Ų74.270%0.69542%0.419SS*.G310 helixtrans-60.7-17.5177.5-27.636.3000115.8R81R81-P83 VanDerWaalsContact C-CD 3.44Å; R81-P83 VanDerWaalsContact C-N 3.35Å
84S95.5Very high94.1Very high48 Ų4873.6 Ų73.634%0.33642%0.422SS..G310 helixtrans-99.2-1.1177.6-61.50000112.8F31 S32 R81 G82F31-S84 CarbonylContact C-O 3.6Å; F31-S84 WeakPolarHBondContact CA-O 3.34Å; F31-S84 WeakPolarHBondContact CB-O 3.49Å; S32-S84 PolarHBondContact N-O 2.85Å; S32-S84 PolarHBondContact OG-O 2.86Å; R81-S84 PolarHBondContact O-N 3.05Å; G82-S84 PolarHBondContact O-N 2.87Å
85V94.9Very high93.7Very high26 Ų2675.1 Ų75.116%0.15843%0.429CS..EExtended strand (participates in β ladder)trans-83.5126-177.3177.30000109.5V29 F31 M50 G82 V88V29-V85 HydrophobicContact CG1-CG1 3.96Å; V29-V85 HydrophobicContact CG1-CG2 4.19Å; F31-V85 HydrophobicContact CD1-CG2 4.1Å; F31-V85 HydrophobicContact CE1-CG2 3.79Å; M50-V85 HydrophobicContact CE-CB 4.47Å; M50-V85 HydrophobicContact CE-CG1 4.17Å; M50-V85 HydrophobicContact CE-CG2 3.5Å; M50-V85 VanDerWaalsContact CE-CG2 3.5Å; G82-V85 WeakPolarHBondContact O-CB 3.42Å; G82-V85 PolarHBondContact O-N 2.89Å; V85-V88 HydrophobicContact CG1-CG2 3.6Å
86E94.1Very high93.2Very high137 Ų13778.1 Ų78.164%0.6446%0.456SS*.EExtended strand (participates in β ladder)trans-102.7-38.8176.1-69.6-176.2167.900112.1K30 S32K30-E86 PolarHBondContact O-N 2.91Å; S32-E86 VanDerWaalsContact CA-OE1 3.23Å; S32-E86 WeakPolarHBondContact CA-OE1 3.41Å
87L93.4Very high92.8Very high82 Ų8280.2 Ų80.243%0.42946%0.458SS..EExtended strand (participates in β ladder)trans-141.3138.4-177.2-17579.4000110.2V29 K30V29-L87 WeakPolarHBondContact CA-O 3.47Å; K30-L87 HydrophobicContact CB-CB 4.05Å; K30-L87 HydrophobicContact CD-CD2 4.01Å; K30-L87 HydrophobicContact CG-CB 4.37Å; K30-L87 HydrophobicContact CG-CD2 4.27Å; K30-L87 PolarHBondContact N-O 3.24Å; K30-L87 PolarHBondContact O-N 2.81Å
88V94.1Very high92.5Very high43 Ų4379.6 Ų79.626%0.26146%0.46SS..EExtended strand (participates in β ladder)trans-126.9124.7164.6-176.80000108L19 I27 R28 V29 M50 V85L19-V88 HydrophobicContact CD2-CB 4.4Å; L19-V88 HydrophobicContact CD2-CG1 3.95Å; I27-V88 HydrophobicContact CB-CG1 4.38Å; I27-V88 HydrophobicContact CD1-CG1 4.09Å; R28-V88 WeakPolarHBondContact O-CA 3.46Å; V29-V88 HydrophobicContact CG1-CG2 4.4Å; V29-V88 HydrophobicContact CG2-CG2 4.4Å; M50-V88 HydrophobicContact CE-CG2 4.23Å; M50-V88 HydrophobicContact SD-CG2 4.14Å; V85-V88 HydrophobicContact CG1-CG2 3.6Å
89C93.3Very high92.1Very high28 Ų2882.8 Ų82.819%0.18948%0.477CS..EExtended strand (participates in β ladder)trans-132.3148.7173.353.30000111.2I27 R28 A91I27-C89 CarbonylContact C-O 3.57Å; I27-C89 WeakPolarHBondContact CA-O 3.22Å; R28-C89 PolarHBondContact N-O 3.42Å; R28-C89 PolarHBondContact O-N 3.5Å; C89-A91 PolarHBondContact O-N 2.74Å
90P94.1Very high91.8Very high47 Ų4782.2 Ų82.231%0.30548%0.475SS..EExtended strand (participates in β ladder)trans-60.1138.6166.326.7-32.4000109.2Y22Y22-P90 HydrophobicContact CD1-CB 4.23Å; Y22-P90 HydrophobicContact CE1-CB 3.88Å; Y22-P90 HydrophobicContact CE1-CG 4.01Å
91A88Confident91.6Very high27 Ų2790.8 Ų90.822%0.22351%0.512CS..SBendtrans-72.5-25.8173.700000111.6R26 C89 M94R26-A91 HydrophobicContact CB-CB 4.01Å; R26-A91 HydrophobicContact CG-CB 3.78Å; R26-A91 WeakPolarHBondContact O-CB 3.47Å; R26-A91 PolarHBondContact O-N 3.31Å; C89-A91 PolarHBondContact O-N 2.74Å; A91-M94 PolarHBondContact O-N 2.9Å
92D87.8Confident91.2Very high149 Ų14987.4 Ų87.480%0.79751%0.509SS*.THydrogen-bonded Turntrans-72.1134.6174.3-168.718.4000110.9M94D92-M94 VanDerWaalsContact C-N 3.28Å; D92-M94 PolarHBondContact O-N 3.34Å
93G87.1Confident90.5Very high78 Ų7895.6 Ų95.680%0.80455%0.546SS*.THydrogen-bonded Turntrans77.62.3-17400000115.6
94M87.4Confident89.5Confident99 Ų9998.7 Ų98.749%0.48855%0.551SS.*  trans-91.5120173.2-177178.9-17700110.5R28 A91 D92R28-M94 WeakPolarHBondContact CD-SD 3.47Å; R28-M94 PolarHBondContact NE-SD 2.65Å; R28-M94 VanDerWaalsContact NE-SD 3.36Å; A91-M94 PolarHBondContact O-N 2.9Å; D92-M94 VanDerWaalsContact C-N 3.28Å; D92-M94 PolarHBondContact O-N 3.34Å
95E88.4Confident88Confident157 Ų157109.2 Ų109.273%0.73460%0.595SS**  trans-133.4150.1173.462178.4-17800111.5I97E95-I97 HydrophobicContact CG-CG2 3.87Å
96S87Confident87.6Confident128 Ų128113.4 Ų113.490%0.89562%0.617SS**  trans-80.6121.1169.8-171.10000108.2
97I89.8Confident87.3Confident103 Ų103112.2 Ų112.253%0.52862%0.616SS.*  trans-109.8151179.161.8172.4000110.5E95E95-I97 HydrophobicContact CG-CG2 3.87Å
98P89.8Confident86.9Confident95 Ų95113.8 Ų113.862%0.61763%0.626SS**  trans-61.8164.9165.329.4-35.3000110.3P100P98-P100 WeakPolarHBondContact O-CD 3.45Å; P98-P100 VanDerWaalsContact O-N 3.11Å
99N91.2Very high86.5Confident97 Ų97118 Ų11852%0.51965%0.648SS.*  trans-57.5117.3176.9-177.4-21.8000110.4F101 V102N99-F101 PolarHBondContact O-N 2.71Å; N99-F101 VanDerWaalsContact O-N 3.15Å; N99-F101 WeakPolarHBondContact OD1-CD2 3.44Å; N99-F101 PolarHBondContact OD1-N 3.07Å; N99-V102 HydrophobicContact CB-CB 4.49Å; N99-V102 HydrophobicContact CB-CG2 3.83Å; N99-V102 PolarHBondContact O-N 3.42Å
100P91.2Very high86.1Confident96 Ų96123.6 Ų123.662%0.62368%0.677SS**THydrogen-bonded Turntrans-74.2-5.2-172.331.1-36.7000113.8P98P98-P100 WeakPolarHBondContact O-CD 3.45Å; P98-P100 VanDerWaalsContact O-N 3.11Å
101F91.1Very high85.5Confident188 Ų188128.7 Ų128.783%0.82570%0.701SS**THydrogen-bonded Turntrans-102.4-10.8179.5-55.8-74000113.3N99 Q103N99-F101 PolarHBondContact O-N 2.71Å; N99-F101 VanDerWaalsContact O-N 3.15Å; N99-F101 WeakPolarHBondContact OD1-CD2 3.44Å; N99-F101 PolarHBondContact OD1-N 3.07Å; F101-Q103 PolarHBondContact O-N 3.38Å
102V88.8Confident85.4Confident96 Ų96136 Ų13658%0.58274%0.736SS**SBendtrans-79.8117173.5179.60000106.9N99 Q104N99-V102 HydrophobicContact CB-CB 4.49Å; N99-V102 HydrophobicContact CB-CG2 3.83Å; N99-V102 PolarHBondContact O-N 3.42Å; V102-Q104 PolarHBondContact O-N 3.44Å; V102-Q104 VanDerWaalsContact O-N 3.17Å
103Q78.9Confident85.2Confident176 Ų176135 Ų13582%0.82273%0.731SS**PPolyproline II helixtrans-58.8120.9169.5-72.3177.7-18.600107.4F101 E105F101-Q103 PolarHBondContact O-N 3.38Å; Q103-E105 PolarHBondContact O-N 2.86Å
104Q73.9Confident85Confident172 Ų172139.8 Ų139.880%0.80473%0.725SS**PPolyproline II helixtrans-63.8118168.6-68.7177-5.500106.5V102V102-Q104 PolarHBondContact O-N 3.44Å; V102-Q104 VanDerWaalsContact O-N 3.17Å
105E62.7Low84.8Confident270 Ų270143.5 Ų143.5100%1.26275%0.746SS**  trans-62.60172.3-74.5-178.1160.500111.8Q103Q103-E105 PolarHBondContact O-N 2.86Å

Retrieved 105 of 105 residues in 408.3 ms (Link to these results)