Q15ER5_SCHMA Loading...

Ubiquitin and ribosomal protein S27-like protein

AlphaFold DB , UniProt , Accession Q15ER5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 153 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
1M91.4Very high88Confident42 Ų4276.4 Ų76.421%0.20735%0.354CS..  0144.5052.4-169.2-172.200110.2L3 S16 A17 L56 I61 D63M1-L3 HydrophobicContact CE-CD1 4.29Å; M1-L3 HydrophobicContact CE-CD2 4.38Å; M1-L3 HydrophobicContact CG-CD2 4.13Å; M1-L3 HydrophobicContact CG-CG 4.41Å; M1-L3 HydrophobicContact SD-CD2 4.2Å; M1-S16 WeakPolarHBondContact O-CA 3.35Å; M1-A17 WeakPolarHBondContact CG-O 3.24Å; M1-A17 PolarHBondContact N-O 3.19Å; M1-A17 PolarHBondContact O-N 3.27Å; M1-L56 HydrophobicContact CE-CB 3.52Å; M1-L56 HydrophobicContact CE-CD1 3.71Å; M1-L56 HydrophobicContact CE-CG 4.22Å; M1-I61 HydrophobicContact CE-CB 3.98Å; M1-I61 HydrophobicContact CE-CG2 3.65Å; M1-I61 HydrophobicContact SD-CB 4.43Å; M1-I61 HydrophobicContact SD-CG2 3.92Å; M1-I61 VanDerWaalsContact SD-O 3.4Å; M1-D63 WeakPolarHBondContact CA-OD1 3.45Å; M1-D63 HydrophobicContact CB-CB 4.23Å; M1-D63 WeakPolarHBondContact CB-OD1 3.39Å
2R93.4Very high88.1Confident163 Ų16379.3 Ų79.362%0.61537%0.367SS*.EExtended strand (participates in β ladder)trans-95.5120.5172.6-67.8179.5179.4164.10.4108V14 D63 L64R2-V14 HydrophobicContact CB-CG1 4.06Å; R2-V14 HydrophobicContact CG-CG1 4.45Å; R2-D63 PolarHBondContact N-OD1 3.08Å; R2-L64 HydrophobicContact CB-CD2 4.34Å; R2-L64 VanDerWaalsContact O-CA 3.26Å; R2-L64 WeakPolarHBondContact O-CA 3.37Å; R2-L64 PolarHBondContact O-N 3.3Å
3L94.3Very high88.4Confident0 Ų075.5 Ų75.50%035%0.353CS..EExtended strand (participates in β ladder)trans-109.1137.4179.9-56.3179.1000109.8M1 V14 I15 A17 L26 I61 D65 V67M1-L3 HydrophobicContact CE-CD1 4.29Å; M1-L3 HydrophobicContact CE-CD2 4.38Å; M1-L3 HydrophobicContact CG-CD2 4.13Å; M1-L3 HydrophobicContact CG-CG 4.41Å; M1-L3 HydrophobicContact SD-CD2 4.2Å; L3-V14 WeakPolarHBondContact O-CA 3.46Å; L3-I15 PolarHBondContact N-O 3.31Å; L3-I15 PolarHBondContact O-N 3.09Å; L3-A17 HydrophobicContact CD1-CB 4.16Å; L3-L26 HydrophobicContact CD1-CD1 3.8Å; L3-L26 HydrophobicContact CD1-CD2 4.31Å; L3-I61 HydrophobicContact CD1-CG2 4.17Å; L3-I61 HydrophobicContact CD2-CG2 3.35Å; L3-I61 HydrophobicContact CG-CG2 4.41Å; L3-D65 WeakPolarHBondContact CA-O 3.39Å; L3-D65 HydrophobicContact CD2-CB 4.28Å; L3-V67 HydrophobicContact CD1-CG2 4.22Å
4F94.6Very high88.9Confident49 Ų4975.9 Ų75.922%0.21536%0.363CS..EExtended strand (participates in β ladder)trans-91.6112173.3-65.7-75.1000109.9V14 L64 D65 Y66 V67F4-V14 HydrophobicContact CD1-CG2 3.7Å; F4-V14 HydrophobicContact CE1-CG2 3.6Å; F4-L64 WeakPolarHBondContact CD2-O 3.4Å; F4-L64 HydrophobicContact CE2-CB 3.9Å; F4-L64 HydrophobicContact CE2-CD2 3.83Å; F4-L64 HydrophobicContact CE2-CG 4.48Å; F4-L64 HydrophobicContact CZ-CD2 4.06Å; F4-D65 PolarHBondContact N-O 2.8Å; F4-Y66 HydrophobicContact CB-CD1 3.33Å; F4-Y66 HydrophobicContact CB-CE1 3.42Å; F4-Y66 VanDerWaalsContact CB-CE1 3.42Å; F4-Y66 HydrophobicContact CB-CG 4.11Å; F4-Y66 HydrophobicContact CD2-CD1 4.46Å; F4-Y66 HydrophobicContact CD2-CE1 4.06Å; F4-Y66 HydrophobicContact CD2-CE2 4.47Å; F4-Y66 HydrophobicContact CG-CD1 4.18Å; F4-Y66 AromaticContact CG-CE1 3.81Å; F4-Y66 HydrophobicContact CG-CE1 3.81Å; F4-Y66 CarbonylContact O-C 3.55Å; F4-Y66 VanDerWaalsContact O-CA 3.28Å; F4-Y66 WeakPolarHBondContact O-CA 3.47Å; F4-V67 PolarHBondContact O-N 3.11Å
5I94.5Very high89.2Confident1 Ų171.5 Ų71.51%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-88.9120.2177.9-74.8137.7000109.9Q12 V13 I15 I30 V67 V69I5-Q12 WeakPolarHBondContact O-CA 3.38Å; I5-V13 HydrophobicContact CB-CB 4.48Å; I5-V13 PolarHBondContact N-O 3.03Å; I5-V13 PolarHBondContact O-N 2.82Å; I5-V13 VanDerWaalsContact O-N 3.14Å; I5-I15 HydrophobicContact CD1-CB 3.5Å; I5-I15 HydrophobicContact CD1-CD1 3.21Å; I5-I15 HydrophobicContact CD1-CG1 3.25Å; I5-I15 HydrophobicContact CD1-CG2 4.49Å; I5-I30 HydrophobicContact CD1-CD1 4.02Å; I5-I30 HydrophobicContact CD1-CG1 3.54Å; I5-I30 HydrophobicContact CG1-CD1 4.02Å; I5-I30 HydrophobicContact CG1-CG1 4.04Å; I5-V67 WeakPolarHBondContact CA-O 3.28Å; I5-V69 HydrophobicContact CG2-CB 4.39Å; I5-V69 HydrophobicContact CG2-CG2 3.4Å; I5-V69 VanDerWaalsContact CG2-CG2 3.4Å
6R92.7Very high89.5Confident105 Ų10572.3 Ų72.340%0.39636%0.358SS..EExtended strand (participates in β ladder)trans-99.4119.5173-57.7-169.8-62.2-172.40.8108.6Q12 Y66 V67 D68 V69R6-Q12 HydrophobicContact CG-CG 4.32Å; R6-Y66 HydrophobicContact CG-CD1 3.85Å; R6-V67 PolarHBondContact N-O 2.64Å; R6-D68 WeakPolarHBondContact CB-OD1 3.41Å; R6-D68 IonicContact CZ-OD1 3.96Å; R6-D68 IonicContact CZ-OD2 3.1Å; R6-D68 IonicContact NE-OD1 2.68Å; R6-D68 PolarHBondContact NE-OD1 2.98Å; R6-D68 IonicContact NH2-OD1 2.8Å; R6-D68 PolarHBondContact NH2-OD1 3.19Å; R6-D68 IonicContact NH2-OD2 2.81Å; R6-D68 PolarHBondContact NH2-OD2 3.1Å; R6-V69 PolarHBondContact O-N 2.83Å
7S88.5Confident89.7Confident23 Ų2368.2 Ų68.216%0.16134%0.338CS..EExtended strand (participates in β ladder)trans-117.8161.8170.193.20000110L9 H10S7-L9 VanDerWaalsContact C-N 3.31Å; S7-L9 PolarHBondContact OG-N 2.93Å; S7-H10 PolarHBondContact OG-N 3.39Å; S7-H10 PolarHBondContact OG-O 2.95Å
8H81.8Confident89.8Confident101 Ų10165.6 Ų65.647%0.46833%0.332SS..SBendtrans-80.8-10.4174.759.3-77.3000113.4
9L78.1Confident89.9Confident112 Ų11265.6 Ų65.659%0.58634%0.336SS*.SBendtrans-107.6-25.9-173.4-64.7177.2000113.7S7S7-L9 VanDerWaalsContact C-N 3.31Å; S7-L9 PolarHBondContact OG-N 2.93Å
10H74.4Confident90Very high95 Ų9568.1 Ų68.144%0.4435%0.35SS..SBendtrans-133156.4-170.8-58.275000110.5S7S7-H10 PolarHBondContact OG-N 3.39Å; S7-H10 PolarHBondContact OG-O 2.95Å
11D84.3Confident90.2Very high149 Ų14967.2 Ų67.280%0.79735%0.345SS*.SBendtrans-57160.9165.2-74-27.8000111.3V13D11-V13 PolarHBondContact O-N 3.17Å
12Q89.8Confident90.3Very high111 Ų11167.2 Ų67.252%0.51935%0.349SS..  trans-59.7131-177-64.1-178.21.300111.3I5 R6I5-Q12 WeakPolarHBondContact O-CA 3.38Å; R6-Q12 HydrophobicContact CG-CG 4.32Å
13V92.2Very high90.4Very high30 Ų3059.5 Ų59.518%0.18232%0.32CS..EExtended strand (participates in β ladder)trans-110.6136.7179.5176.40000109.5I5 D11 I15 V33 T34I5-V13 HydrophobicContact CB-CB 4.48Å; I5-V13 PolarHBondContact N-O 3.03Å; I5-V13 PolarHBondContact O-N 2.82Å; I5-V13 VanDerWaalsContact O-N 3.14Å; D11-V13 PolarHBondContact O-N 3.17Å; V13-I15 HydrophobicContact CG1-CG1 4.06Å; V13-V33 HydrophobicContact CB-CG1 4.47Å; V13-V33 HydrophobicContact CG1-CB 4.12Å; V13-V33 HydrophobicContact CG1-CG1 3.38Å; V13-V33 HydrophobicContact CG2-CG1 4.27Å; V13-T34 HydrophobicContact CG2-CG2 4.46Å
14V94.2Very high90.4Very high82 Ų8267.1 Ų67.150%0.49735%0.349SS..EExtended strand (participates in β ladder)trans-94.7125.1174.6-174.60000109.8R2 L3 F4R2-V14 HydrophobicContact CB-CG1 4.06Å; R2-V14 HydrophobicContact CG-CG1 4.45Å; L3-V14 WeakPolarHBondContact O-CA 3.46Å; F4-V14 HydrophobicContact CD1-CG2 3.7Å; F4-V14 HydrophobicContact CE1-CG2 3.6Å
15I93.8Very high90.4Very high10 Ų1066.5 Ų66.55%0.05135%0.35CS..EExtended strand (participates in β ladder)trans-122.5138175.2-65.7-168.9000110.8L3 I5 V13 L26 K29 I30 V33L3-I15 PolarHBondContact N-O 3.31Å; L3-I15 PolarHBondContact O-N 3.09Å; I5-I15 HydrophobicContact CD1-CB 3.5Å; I5-I15 HydrophobicContact CD1-CD1 3.21Å; I5-I15 HydrophobicContact CD1-CG1 3.25Å; I5-I15 HydrophobicContact CD1-CG2 4.49Å; V13-I15 HydrophobicContact CG1-CG1 4.06Å; I15-L26 HydrophobicContact CG2-CD1 4.37Å; I15-K29 HydrophobicContact CD1-CB 4.27Å; I15-K29 HydrophobicContact CG2-CB 3.88Å; I15-K29 HydrophobicContact CG2-CD 3.98Å; I15-I30 HydrophobicContact CD1-CB 4.29Å; I15-I30 HydrophobicContact CD1-CG1 3.72Å; I15-V33 HydrophobicContact CD1-CB 4.44Å; I15-V33 HydrophobicContact CD1-CG2 4.09Å
16S94Very high90.4Very high84 Ų8466.4 Ų66.459%0.58735%0.35SS*.EExtended strand (participates in β ladder)trans-88.1121.8173.1-171.90000110.6M1 K29M1-S16 WeakPolarHBondContact O-CA 3.35Å; S16-K29 PolarHBondContact O-NZ 3.24Å
17A92.7Very high90.6Very high2 Ų262.4 Ų62.42%0.01734%0.335CS..  trans-134.1146.2174.600000110.7M1 L3 L26 L56M1-A17 WeakPolarHBondContact CG-O 3.24Å; M1-A17 PolarHBondContact N-O 3.19Å; M1-A17 PolarHBondContact O-N 3.27Å; L3-A17 HydrophobicContact CD1-CB 4.16Å; A17-L26 HydrophobicContact CB-CD1 3.79Å; A17-L56 HydrophobicContact CB-CD1 3.69Å
18G92.7Very high90.9Very high22 Ų2264.8 Ų64.823%0.22735%0.347CS..  trans-82.6156.917000000112.8N20 E21G18-N20 VanDerWaalsContact C-N 3.27Å; G18-N20 PolarHBondContact O-N 3.22Å; G18-E21 PolarHBondContact N-OE1 2.88Å; G18-E21 WeakPolarHBondContact O-CB 3.48Å; G18-E21 PolarHBondContact O-N 3.18Å
19P90.4Very high91.5Very high65 Ų6562.8 Ų62.842%0.42234%0.337SS..THydrogen-bonded Turntrans-64.4-31.6176.126.7-34.2000112.8E21 Q57P19-E21 VanDerWaalsContact C-N 3.3Å; P19-Q57 HydrophobicContact CB-CB 4.23Å; P19-Q57 WeakPolarHBondContact O-CB 3.43Å; P19-Q57 PolarHBondContact O-N 3.32Å; P19-Q57 VanDerWaalsContact O-N 3.07Å
20N92.5Very high92.2Very high115 Ų11557.5 Ų57.562%0.61531%0.309SS*.THydrogen-bonded Turntrans-88.45.8179.6-58.8-7.9000112.9G18 Q57G18-N20 VanDerWaalsContact C-N 3.27Å; G18-N20 PolarHBondContact O-N 3.22Å; N20-Q57 PolarHBondContact OD1-OE1 3.03Å
21E93.9Very high93.1Very high50 Ų5054.4 Ų54.423%0.23430%0.298CS..SBendtrans-78.7147.3173.2-70.7-174-146.100110.5G18 P19 S25 K29 L56G18-E21 PolarHBondContact N-OE1 2.88Å; G18-E21 WeakPolarHBondContact O-CB 3.48Å; G18-E21 PolarHBondContact O-N 3.18Å; P19-E21 VanDerWaalsContact C-N 3.3Å; E21-S25 PolarHBondContact OE2-OG 3.4Å; E21-K29 IonicContact OE1-NZ 3.98Å; E21-K29 PolarHBondContact OE1-NZ 3.3Å; E21-K29 WeakPolarHBondContact OE2-CE 3.4Å; E21-K29 IonicContact OE2-NZ 3.58Å; E21-K29 PolarHBondContact OE2-NZ 2.84Å; E21-L56 HydrophobicContact CB-CD1 4.33Å; E21-L56 PolarHBondContact O-N 2.86Å; E21-L56 VanDerWaalsContact O-N 3.13Å
22S94.1Very high93.5Very high43 Ų4354.6 Ų54.630%0.30130%0.298SS..BIsolated β-bridgetrans-74.8152.2172.661.90000111.1R24 S25 L26S22-R24 PolarHBondContact O-N 3.35Å; S22-S25 WeakPolarHBondContact O-CB 3.49Å; S22-S25 PolarHBondContact O-N 3.46Å; S22-S25 PolarHBondContact OG-N 3.48Å; S22-L26 PolarHBondContact O-N 3.1Å
23V94.8Very high93.6Very high0 Ų053.4 Ų53.40%030%0.298CS..Hα-helixtrans-56.5-32.3172.2174.70000111.3L26 K27 L43 L50 L51 A54 L56 F59V23-L26 WeakPolarHBondContact O-CB 3.3Å; V23-L26 PolarHBondContact O-N 2.83Å; V23-K27 PolarHBondContact O-N 3.32Å; V23-L43 HydrophobicContact CG1-CD1 4.06Å; V23-L50 HydrophobicContact CG1-CB 3.68Å; V23-L50 HydrophobicContact CG2-CB 3.95Å; V23-L51 VanDerWaalsContact CB-O 3.28Å; V23-L51 WeakPolarHBondContact CB-O 3.27Å; V23-L51 WeakPolarHBondContact CG2-O 3.34Å; V23-A54 WeakPolarHBondContact CG2-O 3.29Å; V23-A54 PolarHBondContact N-O 3.29Å; V23-A54 VanDerWaalsContact N-O 3.11Å; V23-L56 HydrophobicContact CG2-CD2 3.93Å; V23-F59 HydrophobicContact CG2-CD2 4.46Å; V23-F59 HydrophobicContact CG2-CE2 3.98Å
24R95Very high93.5Very high160 Ų16052.4 Ų52.460%0.60429%0.292SS*.Hα-helixtrans-61.2-44.5173.8-172.5172.5-176.9150.50.5113S22 L26 K27 D28S22-R24 PolarHBondContact O-N 3.35Å; R24-L26 VanDerWaalsContact C-N 3.27Å; R24-L26 PolarHBondContact O-N 2.62Å; R24-K27 WeakPolarHBondContact O-CB 3.43Å; R24-K27 PolarHBondContact O-N 3.37Å; R24-K27 VanDerWaalsContact O-N 3.16Å; R24-D28 PolarHBondContact O-N 3.4Å
25S94.5Very high93.2Very high36 Ų3651.5 Ų51.525%0.25230%0.3SS..Hα-helixtrans-58.9-40.8173.9176.50000111.3E21 S22 D28 K29E21-S25 PolarHBondContact OE2-OG 3.4Å; S22-S25 WeakPolarHBondContact O-CB 3.49Å; S22-S25 PolarHBondContact O-N 3.46Å; S22-S25 PolarHBondContact OG-N 3.48Å; S25-D28 PolarHBondContact O-N 3.44Å; S25-K29 WeakPolarHBondContact O-CG 3.34Å; S25-K29 PolarHBondContact O-N 2.76Å
26L94.8Very high93Very high0 Ų051.7 Ų51.70%030%0.301CS..Hα-helixtrans-62.6-45175-173.277.5000111.6L3 I15 A17 S22 V23 R24 D28 K29 I30 L43 L56 V67L3-L26 HydrophobicContact CD1-CD1 3.8Å; L3-L26 HydrophobicContact CD1-CD2 4.31Å; I15-L26 HydrophobicContact CG2-CD1 4.37Å; A17-L26 HydrophobicContact CB-CD1 3.79Å; S22-L26 PolarHBondContact O-N 3.1Å; V23-L26 WeakPolarHBondContact O-CB 3.3Å; V23-L26 PolarHBondContact O-N 2.83Å; R24-L26 VanDerWaalsContact C-N 3.27Å; R24-L26 PolarHBondContact O-N 2.62Å; L26-D28 VanDerWaalsContact C-N 3.3Å; L26-D28 PolarHBondContact O-N 3.32Å; L26-K29 PolarHBondContact O-N 2.85Å; L26-I30 HydrophobicContact CD2-CD1 4.21Å; L26-I30 HydrophobicContact CG-CD1 3.87Å; L26-I30 HydrophobicContact CG-CG1 4.48Å; L26-I30 VanDerWaalsContact O-CG1 3.23Å; L26-I30 WeakPolarHBondContact O-CG1 3.41Å; L26-I30 PolarHBondContact O-N 3.44Å; L26-L43 HydrophobicContact CD2-CD1 3.77Å; L26-L43 HydrophobicContact CG-CD1 4.32Å; L26-L56 HydrophobicContact CB-CD1 4.49Å; L26-L56 HydrophobicContact CB-CD2 4.47Å; L26-L56 HydrophobicContact CD1-CD1 4.44Å; L26-L56 HydrophobicContact CD2-CD2 3.89Å; L26-V67 HydrophobicContact CD2-CG1 4.48Å
27K95.2Very high92.9Very high20 Ų2054.1 Ų54.19%0.08730%0.303CS..Hα-helixtrans-59-40.7175.6-73.8-176.2171.9-174.30112.4V23 R24 I30 S31 A38 Q41 L43 D52V23-K27 PolarHBondContact O-N 3.32Å; R24-K27 WeakPolarHBondContact O-CB 3.43Å; R24-K27 PolarHBondContact O-N 3.37Å; R24-K27 VanDerWaalsContact O-N 3.16Å; K27-I30 PolarHBondContact O-N 2.85Å; K27-S31 WeakPolarHBondContact O-CB 3.44Å; K27-S31 PolarHBondContact O-N 3.25Å; K27-A38 HydrophobicContact CB-CB 4.04Å; K27-Q41 VanDerWaalsContact CA-OE1 3.29Å; K27-Q41 HydrophobicContact CD-CB 4.46Å; K27-Q41 WeakPolarHBondContact CE-O 3.22Å; K27-Q41 HydrophobicContact CG-CB 4.47Å; K27-Q41 PolarHBondContact NZ-O 3.21Å; K27-Q41 PolarHBondContact O-NE2 2.77Å; K27-Q41 VanDerWaalsContact O-NE2 3.12Å; K27-Q41 PolarHBondContact O-OE1 3.31Å; K27-L43 HydrophobicContact CD-CD1 4.49Å; K27-L43 HydrophobicContact CG-CD1 3.49Å; K27-L43 VanDerWaalsContact CG-CD1 3.49Å; K27-L43 HydrophobicContact CG-CG 3.91Å; K27-D52 WeakPolarHBondContact CD-OD1 3.33Å; K27-D52 WeakPolarHBondContact CE-OD1 3.18Å; K27-D52 IonicContact NZ-OD1 3.25Å; K27-D52 PolarHBondContact NZ-OD1 2.97Å; K27-D52 IonicContact NZ-OD2 2.66Å
28D95.3Very high92.9Very high74 Ų7455.1 Ų55.140%0.39631%0.311SS..Hα-helixtrans-64.7-45.2177.6-66.9-27.7000110.8R24 S25 L26 I30 S31 L32R24-D28 PolarHBondContact O-N 3.4Å; S25-D28 PolarHBondContact O-N 3.44Å; L26-D28 VanDerWaalsContact C-N 3.3Å; L26-D28 PolarHBondContact O-N 3.32Å; D28-I30 PolarHBondContact O-N 2.84Å; D28-S31 WeakPolarHBondContact O-CB 3.3Å; D28-S31 PolarHBondContact O-N 3.41Å; D28-S31 VanDerWaalsContact O-N 3.15Å; D28-S31 PolarHBondContact O-OG 3.38Å; D28-L32 PolarHBondContact O-N 3.08Å; D28-L32 VanDerWaalsContact O-N 3.14Å
29K94.7Very high92.9Very high59 Ų5960.3 Ų60.326%0.25734%0.338SS..Hα-helixtrans-60.3-44.1173.4-71174.6177.8177.60112.3I15 S16 E21 S25 L26 S31 L32 V33I15-K29 HydrophobicContact CD1-CB 4.27Å; I15-K29 HydrophobicContact CG2-CB 3.88Å; I15-K29 HydrophobicContact CG2-CD 3.98Å; S16-K29 PolarHBondContact O-NZ 3.24Å; E21-K29 IonicContact OE1-NZ 3.98Å; E21-K29 PolarHBondContact OE1-NZ 3.3Å; E21-K29 WeakPolarHBondContact OE2-CE 3.4Å; E21-K29 IonicContact OE2-NZ 3.58Å; E21-K29 PolarHBondContact OE2-NZ 2.84Å; S25-K29 WeakPolarHBondContact O-CG 3.34Å; S25-K29 PolarHBondContact O-N 2.76Å; L26-K29 PolarHBondContact O-N 2.85Å; K29-S31 VanDerWaalsContact C-N 3.27Å; K29-S31 PolarHBondContact O-N 2.77Å; K29-L32 PolarHBondContact O-N 3.38Å; K29-V33 PolarHBondContact O-N 3.14Å
30I93.5Very high92.9Very high0 Ų059.8 Ų59.80%033%0.334CS..Hα-helixtrans-60.8-39.6175.8-68.7166.6000110.4I5 I15 L26 K27 D28 L32 V33 T34 L43 V69I5-I30 HydrophobicContact CD1-CD1 4.02Å; I5-I30 HydrophobicContact CD1-CG1 3.54Å; I5-I30 HydrophobicContact CG1-CD1 4.02Å; I5-I30 HydrophobicContact CG1-CG1 4.04Å; I15-I30 HydrophobicContact CD1-CB 4.29Å; I15-I30 HydrophobicContact CD1-CG1 3.72Å; L26-I30 HydrophobicContact CD2-CD1 4.21Å; L26-I30 HydrophobicContact CG-CD1 3.87Å; L26-I30 HydrophobicContact CG-CG1 4.48Å; L26-I30 VanDerWaalsContact O-CG1 3.23Å; L26-I30 WeakPolarHBondContact O-CG1 3.41Å; L26-I30 PolarHBondContact O-N 3.44Å; K27-I30 PolarHBondContact O-N 2.85Å; D28-I30 PolarHBondContact O-N 2.84Å; I30-L32 VanDerWaalsContact C-N 3.33Å; I30-L32 PolarHBondContact O-N 3.04Å; I30-V33 PolarHBondContact O-N 3.39Å; I30-T34 HydrophobicContact CG2-CG2 4.02Å; I30-T34 WeakPolarHBondContact O-CB 3.42Å; I30-T34 PolarHBondContact O-N 3.43Å; I30-T34 PolarHBondContact O-OG1 3.49Å; I30-L43 HydrophobicContact CD1-CD1 3.88Å; I30-L43 HydrophobicContact CD1-CD2 3.71Å; I30-L43 HydrophobicContact CD1-CG 4.49Å; I30-V69 HydrophobicContact CD1-CG2 4.01Å; I30-V69 HydrophobicContact CG2-CG1 4.38Å; I30-V69 HydrophobicContact CG2-CG2 4.04Å
31S93.3Very high93Very high31 Ų3154.4 Ų54.422%0.21731%0.305CS..Hα-helixtrans-64.8-36.6-179.478.80000112.8K27 D28 K29 G35 I36K27-S31 WeakPolarHBondContact O-CB 3.44Å; K27-S31 PolarHBondContact O-N 3.25Å; D28-S31 WeakPolarHBondContact O-CB 3.3Å; D28-S31 PolarHBondContact O-N 3.41Å; D28-S31 VanDerWaalsContact O-N 3.15Å; D28-S31 PolarHBondContact O-OG 3.38Å; K29-S31 VanDerWaalsContact C-N 3.27Å; K29-S31 PolarHBondContact O-N 2.77Å; S31-G35 VanDerWaalsContact O-CA 3.25Å; S31-G35 WeakPolarHBondContact O-CA 3.3Å; S31-G35 PolarHBondContact O-N 3.04Å; S31-I36 WeakPolarHBondContact CA-O 3.5Å; S31-I36 WeakPolarHBondContact CB-O 3.48Å
32L92.2Very high93Very high152 Ų15253.7 Ų53.780%0.79631%0.306SS*.Hα-helixtrans-66.8-35.6177.1-69.4174.1000112.5D28 K29 I30D28-L32 PolarHBondContact O-N 3.08Å; D28-L32 VanDerWaalsContact O-N 3.14Å; K29-L32 PolarHBondContact O-N 3.38Å; I30-L32 VanDerWaalsContact C-N 3.33Å; I30-L32 PolarHBondContact O-N 3.04Å
33V91.5Very high93Very high86 Ų8651.8 Ų51.852%0.52129%0.292SS..Hα-helixtrans-90.4-42.4-176.1-171.40000112.5V13 I15 K29 I30V13-V33 HydrophobicContact CB-CG1 4.47Å; V13-V33 HydrophobicContact CG1-CB 4.12Å; V13-V33 HydrophobicContact CG1-CG1 3.38Å; V13-V33 HydrophobicContact CG2-CG1 4.27Å; I15-V33 HydrophobicContact CD1-CB 4.44Å; I15-V33 HydrophobicContact CD1-CG2 4.09Å; K29-V33 PolarHBondContact O-N 3.14Å; I30-V33 PolarHBondContact O-N 3.39Å
34T89.5Confident93.1Very high9 Ų955.3 Ų55.36%0.05531%0.306CS..Hα-helixtrans-92.3-13.8-175.464.90000113.7V13 I30 I36V13-T34 HydrophobicContact CG2-CG2 4.46Å; I30-T34 HydrophobicContact CG2-CG2 4.02Å; I30-T34 WeakPolarHBondContact O-CB 3.42Å; I30-T34 PolarHBondContact O-N 3.43Å; I30-T34 PolarHBondContact O-OG1 3.49Å; T34-I36 PolarHBondContact O-N 2.93Å; T34-I36 PolarHBondContact OG1-N 2.74Å
35G89.7Confident93Very high64 Ų6448.2 Ų48.266%0.6628%0.279SS*.  trans72.2-1.5-17400000114.8S31S31-G35 VanDerWaalsContact O-CA 3.25Å; S31-G35 WeakPolarHBondContact O-CA 3.3Å; S31-G35 PolarHBondContact O-N 3.04Å
36I89.7Confident92.9Very high14 Ų1453.7 Ų53.77%0.07230%0.301CS..  trans-75.8125177.2-58.8166.8000108.6S31 T34 A38 Q41 V69 C71S31-I36 WeakPolarHBondContact CA-O 3.5Å; S31-I36 WeakPolarHBondContact CB-O 3.48Å; T34-I36 PolarHBondContact O-N 2.93Å; T34-I36 PolarHBondContact OG1-N 2.74Å; I36-A38 PolarHBondContact O-N 2.85Å; I36-Q41 HydrophobicContact CB-CG 4.19Å; I36-Q41 HydrophobicContact CG2-CG 3.5Å; I36-Q41 PolarHBondContact O-NE2 3.03Å; I36-V69 HydrophobicContact CD1-CG1 4.13Å; I36-C71 WeakPolarHBondContact CG2-SG 3.46Å
37Q91.8Very high92.8Very high135 Ų13556.5 Ų56.563%0.63133%0.33SS*.  trans-62.8131.5-179.8-66.7-177.2-21.400111.7T39 T40 Q41Q37-T39 PolarHBondContact O-N 3.22Å; Q37-T39 VanDerWaalsContact O-N 3.07Å; Q37-T40 HydrophobicContact CB-CG2 4.41Å; Q37-T40 PolarHBondContact O-N 2.96Å; Q37-T40 PolarHBondContact O-OG1 3.44Å; Q37-Q41 WeakPolarHBondContact O-CG 3.42Å; Q37-Q41 PolarHBondContact O-N 3.12Å
38A92.6Very high92.6Very high22 Ų2258.8 Ų58.818%0.18235%0.348CS..G310 helixtrans-52-34.6-177.800000114K27 I36 T40 Q41K27-A38 HydrophobicContact CB-CB 4.04Å; I36-A38 PolarHBondContact O-N 2.85Å; A38-T40 VanDerWaalsContact C-N 3.27Å; A38-T40 PolarHBondContact O-N 3.23Å; A38-Q41 PolarHBondContact O-N 3.32Å
39T91.9Very high92.6Very high131 Ų13158.8 Ų58.880%0.80435%0.352SS*.G310 helixtrans-68.5-22.6177.553.90000114.1Q37Q37-T39 PolarHBondContact O-N 3.22Å; Q37-T39 VanDerWaalsContact O-N 3.07Å
40T91.5Very high92.6Very high54 Ų5456.4 Ų56.433%0.33134%0.343SS..G310 helixtrans-98.4-8.9179.662.40000113Q37 A38Q37-T40 HydrophobicContact CB-CG2 4.41Å; Q37-T40 PolarHBondContact O-N 2.96Å; Q37-T40 PolarHBondContact O-OG1 3.44Å; A38-T40 VanDerWaalsContact C-N 3.27Å; A38-T40 PolarHBondContact O-N 3.23Å
41Q93.6Very high92.6Very high3 Ų362 Ų621%0.01437%0.371CS..EExtended strand (participates in β ladder)trans-79130.6-179.8-66.5174.722.500111.2K27 I36 Q37 A38 L43 V69K27-Q41 VanDerWaalsContact CA-OE1 3.29Å; K27-Q41 HydrophobicContact CD-CB 4.46Å; K27-Q41 WeakPolarHBondContact CE-O 3.22Å; K27-Q41 HydrophobicContact CG-CB 4.47Å; K27-Q41 PolarHBondContact NZ-O 3.21Å; K27-Q41 PolarHBondContact O-NE2 2.77Å; K27-Q41 VanDerWaalsContact O-NE2 3.12Å; K27-Q41 PolarHBondContact O-OE1 3.31Å; I36-Q41 HydrophobicContact CB-CG 4.19Å; I36-Q41 HydrophobicContact CG2-CG 3.5Å; I36-Q41 PolarHBondContact O-NE2 3.03Å; Q37-Q41 WeakPolarHBondContact O-CG 3.42Å; Q37-Q41 PolarHBondContact O-N 3.12Å; A38-Q41 PolarHBondContact O-N 3.32Å; Q41-L43 HydrophobicContact CB-CD2 4.48Å; Q41-V69 HydrophobicContact CG-CG1 4.25Å
42S93.8Very high92.6Very high35 Ų3563.8 Ų63.825%0.24538%0.379CS..EExtended strand (participates in β ladder)trans-114.6111.6165.6-62.40000108.8Y44 N70S42-Y44 WeakPolarHBondContact O-CD2 3.35Å; S42-N70 PolarHBondContact N-O 3.28Å; S42-N70 PolarHBondContact O-N 2.92Å
43L94.8Very high92.5Very high2 Ų262.7 Ų62.71%0.0138%0.383CS..EExtended strand (participates in β ladder)trans-94.6138.8-177.9-56.2-172.6000110.9V23 L26 K27 I30 Q41 L50 V67 D68 V69V23-L43 HydrophobicContact CG1-CD1 4.06Å; L26-L43 HydrophobicContact CD2-CD1 3.77Å; L26-L43 HydrophobicContact CG-CD1 4.32Å; K27-L43 HydrophobicContact CD-CD1 4.49Å; K27-L43 HydrophobicContact CG-CD1 3.49Å; K27-L43 VanDerWaalsContact CG-CD1 3.49Å; K27-L43 HydrophobicContact CG-CG 3.91Å; I30-L43 HydrophobicContact CD1-CD1 3.88Å; I30-L43 HydrophobicContact CD1-CD2 3.71Å; I30-L43 HydrophobicContact CD1-CG 4.49Å; Q41-L43 HydrophobicContact CB-CD2 4.48Å; L43-L50 HydrophobicContact CB-CB 4.1Å; L43-L50 HydrophobicContact CB-CD1 3.98Å; L43-L50 HydrophobicContact CB-CG 4.27Å; L43-L50 PolarHBondContact O-N 2.87Å; L43-V67 HydrophobicContact CB-CG1 4.2Å; L43-V67 HydrophobicContact CD2-CG1 4.43Å; L43-D68 CarbonylContact C-O 3.59Å; L43-D68 WeakPolarHBondContact CA-O 3.28Å; L43-V69 HydrophobicContact CD2-CB 4.17Å; L43-V69 HydrophobicContact CD2-CG1 4.14Å; L43-V69 HydrophobicContact CD2-CG2 3.53Å
44Y95.3Very high92.6Very high75 Ų7559.6 Ų59.629%0.29437%0.366SS..EExtended strand (participates in β ladder)trans-133.8141.4178.2-62.1-98.1000111.1S42 S48 P49 D68 N70S42-Y44 WeakPolarHBondContact O-CD2 3.35Å; Y44-S48 CarbonylContact C-O 3.19Å; Y44-S48 VanDerWaalsContact CA-O 3.28Å; Y44-S48 WeakPolarHBondContact CA-O 3.39Å; Y44-P49 HydrophobicContact CD1-CB 4.02Å; Y44-P49 HydrophobicContact CE1-CB 3.75Å; Y44-D68 PolarHBondContact N-O 3.38Å; Y44-D68 PolarHBondContact O-N 3.49Å; Y44-N70 HydrophobicContact CE2-CB 4.2Å
45H94.5Very high92.8Very high10 Ų1062.4 Ų62.45%0.04638%0.38CS..EExtended strand (participates in β ladder)trans-125.9123.6171.5178-105.6000108.5G47 S48 L50 D65 Y66H45-G47 PolarHBondContact O-N 3.11Å; H45-S48 PolarHBondContact N-O 2.84Å; H45-S48 WeakPolarHBondContact O-CB 3.11Å; H45-S48 PolarHBondContact O-N 3.06Å; H45-L50 HydrophobicContact CB-CD1 4.46Å; H45-L50 HydrophobicContact CB-CD2 3.97Å; H45-L50 HydrophobicContact CB-CG 4.43Å; H45-D65 IonicContact CE1-OD2 3.72Å; H45-D65 IonicContact NE2-OD2 2.62Å; H45-D65 PolarHBondContact NE2-OD2 3.18Å; H45-Y66 PolarHBondContact CD2-O 3.37Å
46H92.2Very high92.9Very high152 Ų15259.3 Ų59.370%0.70435%0.349SS*.THydrogen-bonded Turntrans45.735.2-171.3-60.6-61.6000114.9S48H46-S48 VanDerWaalsContact C-N 3.26Å; H46-S48 PolarHBondContact O-N 3.12Å
47G91.2Very high92.9Very high59 Ų5964.2 Ų64.261%0.60837%0.371SS*.THydrogen-bonded Turntrans81.7-6.3-177.700000115.3H45H45-G47 PolarHBondContact O-N 3.11Å
48S92.8Very high93Very high67 Ų6763.2 Ų63.247%0.46937%0.37SS..EExtended strand (participates in β ladder)trans-85.2130.7173.6-610000110.6Y44 H45 H46Y44-S48 CarbonylContact C-O 3.19Å; Y44-S48 VanDerWaalsContact CA-O 3.28Å; Y44-S48 WeakPolarHBondContact CA-O 3.39Å; H45-S48 PolarHBondContact N-O 2.84Å; H45-S48 WeakPolarHBondContact O-CB 3.11Å; H45-S48 PolarHBondContact O-N 3.06Å; H46-S48 VanDerWaalsContact C-N 3.26Å; H46-S48 PolarHBondContact O-N 3.12Å
49P95.2Very high92.9Very high75 Ų7564.9 Ų64.949%0.48737%0.374SS..EExtended strand (participates in β ladder)trans-71.7135.417928.8-33.4000111.3Y44Y44-P49 HydrophobicContact CD1-CB 4.02Å; Y44-P49 HydrophobicContact CE1-CB 3.75Å
50L94.5Very high92.8Very high9 Ų961 Ų615%0.04736%0.359CS..PPolyproline II helixtrans-88.9122.6174.4-54.2-177.8000110V23 L43 H45 F59 I61 V67V23-L50 HydrophobicContact CG1-CB 3.68Å; V23-L50 HydrophobicContact CG2-CB 3.95Å; L43-L50 HydrophobicContact CB-CB 4.1Å; L43-L50 HydrophobicContact CB-CD1 3.98Å; L43-L50 HydrophobicContact CB-CG 4.27Å; L43-L50 PolarHBondContact O-N 2.87Å; H45-L50 HydrophobicContact CB-CD1 4.46Å; H45-L50 HydrophobicContact CB-CD2 3.97Å; H45-L50 HydrophobicContact CB-CG 4.43Å; L50-F59 HydrophobicContact CB-CE2 4.41Å; L50-F59 HydrophobicContact CB-CZ 4.47Å; L50-F59 HydrophobicContact CD2-CB 3.82Å; L50-F59 HydrophobicContact CD2-CD1 3.47Å; L50-F59 VanDerWaalsContact CD2-CD1 3.47Å; L50-F59 HydrophobicContact CD2-CD2 3.53Å; L50-F59 HydrophobicContact CD2-CE1 3.83Å; L50-F59 HydrophobicContact CD2-CE2 3.86Å; L50-F59 HydrophobicContact CD2-CG 3.31Å; L50-F59 HydrophobicContact CD2-CZ 4.02Å; L50-I61 HydrophobicContact CD1-CD1 4.06Å; L50-I61 HydrophobicContact CD2-CD1 4.28Å; L50-V67 HydrophobicContact CD1-CG1 4.15Å
51L93.8Very high92.9Very high116 Ų11659 Ų5961%0.60735%0.346SS*.PPolyproline II helixtrans-87.7139.3179.8-62.3175000111.2V23 C53 A54V23-L51 VanDerWaalsContact CB-O 3.28Å; V23-L51 WeakPolarHBondContact CB-O 3.27Å; V23-L51 WeakPolarHBondContact CG2-O 3.34Å; L51-C53 PolarHBondContact O-N 2.87Å; L51-C53 VanDerWaalsContact O-N 3.11Å; L51-A54 HydrophobicContact CB-CB 4.46Å; L51-A54 PolarHBondContact O-N 3.26Å; L51-A54 VanDerWaalsContact O-N 3.1Å
52D92.2Very high92.8Very high69 Ų6962.6 Ų62.637%0.36937%0.369SS..THydrogen-bonded Turntrans-57.8-30.8-174.1-70.3-5.6000114.6K27K27-D52 WeakPolarHBondContact CD-OD1 3.33Å; K27-D52 WeakPolarHBondContact CE-OD1 3.18Å; K27-D52 IonicContact NZ-OD1 3.25Å; K27-D52 PolarHBondContact NZ-OD1 2.97Å; K27-D52 IonicContact NZ-OD2 2.66Å
53C90.2Very high92.8Very high130 Ų13065.4 Ų65.488%0.87838%0.381SS*.THydrogen-bonded Turntrans-86-13-177-60.50000114.2L51L51-C53 PolarHBondContact O-N 2.87Å; L51-C53 VanDerWaalsContact O-N 3.11Å
54A93Very high92.7Very high21 Ų2169.7 Ų69.717%0.17440%0.404CS..SBendtrans-88.3157.9-176.100000111.7V23 L51 F59V23-A54 WeakPolarHBondContact CG2-O 3.29Å; V23-A54 PolarHBondContact N-O 3.29Å; V23-A54 VanDerWaalsContact N-O 3.11Å; L51-A54 HydrophobicContact CB-CB 4.46Å; L51-A54 PolarHBondContact O-N 3.26Å; L51-A54 VanDerWaalsContact O-N 3.1Å; A54-F59 HydrophobicContact CB-CE2 3.44Å; A54-F59 VanDerWaalsContact CB-CE2 3.44Å; A54-F59 HydrophobicContact CB-CZ 3.8Å
55L93.7Very high92.7Very high67 Ų6767.6 Ų67.635%0.35140%0.397SS..BIsolated β-bridgetrans-86.7153.5175.1-61.1-179000110.3Q57 D58 F59L55-Q57 PolarHBondContact O-N 3.36Å; L55-D58 PolarHBondContact N-OD2 3.37Å; L55-D58 VanDerWaalsContact N-OD2 3.15Å; L55-D58 WeakPolarHBondContact O-CB 3.46Å; L55-D58 PolarHBondContact O-N 2.83Å; L55-F59 WeakPolarHBondContact O-CD2 3.42Å
56L92.1Very high92.6Very high0 Ų071.9 Ų71.90%041%0.414CS..G310 helixtrans-64.9-30.4178.4-63.2174.4000112.5M1 A17 E21 V23 L26 D58 F59 I61M1-L56 HydrophobicContact CE-CB 3.52Å; M1-L56 HydrophobicContact CE-CD1 3.71Å; M1-L56 HydrophobicContact CE-CG 4.22Å; A17-L56 HydrophobicContact CB-CD1 3.69Å; E21-L56 HydrophobicContact CB-CD1 4.33Å; E21-L56 PolarHBondContact O-N 2.86Å; E21-L56 VanDerWaalsContact O-N 3.13Å; V23-L56 HydrophobicContact CG2-CD2 3.93Å; L26-L56 HydrophobicContact CB-CD1 4.49Å; L26-L56 HydrophobicContact CB-CD2 4.47Å; L26-L56 HydrophobicContact CD1-CD1 4.44Å; L26-L56 HydrophobicContact CD2-CD2 3.89Å; L56-D58 VanDerWaalsContact C-N 3.27Å; L56-D58 PolarHBondContact O-N 2.89Å; L56-F59 PolarHBondContact O-N 2.9Å; L56-I61 HydrophobicContact CB-CD1 4.16Å; L56-I61 HydrophobicContact CD2-CD1 3.68Å
57Q91.2Very high92.8Very high117 Ų11764.6 Ų64.655%0.54738%0.38SS..G310 helixtrans-62.1-33.2175.7-173.3173.48.500113P19 N20 L55 F59 G60P19-Q57 HydrophobicContact CB-CB 4.23Å; P19-Q57 WeakPolarHBondContact O-CB 3.43Å; P19-Q57 PolarHBondContact O-N 3.32Å; P19-Q57 VanDerWaalsContact O-N 3.07Å; N20-Q57 PolarHBondContact OD1-OE1 3.03Å; L55-Q57 PolarHBondContact O-N 3.36Å; Q57-F59 PolarHBondContact O-N 2.89Å; Q57-G60 PolarHBondContact O-N 2.82Å; Q57-G60 VanDerWaalsContact O-N 3.1Å
58D92.1Very high92.9Very high114 Ų11463.6 Ų63.661%0.6136%0.361SS*.G310 helixtrans-66.7-26.5-176.7-59.4-29.5000112.2L55 L56 G60L55-D58 PolarHBondContact N-OD2 3.37Å; L55-D58 VanDerWaalsContact N-OD2 3.15Å; L55-D58 WeakPolarHBondContact O-CB 3.46Å; L55-D58 PolarHBondContact O-N 2.83Å; L56-D58 VanDerWaalsContact C-N 3.27Å; L56-D58 PolarHBondContact O-N 2.89Å; D58-G60 VanDerWaalsContact C-N 3.34Å
59F91.5Very high93Very high57 Ų5760.4 Ų60.425%0.2534%0.338CS..G310 helixtrans-89.62.9178.1-64.4-79.9000113.4V23 L50 A54 L55 L56 Q57 I61V23-F59 HydrophobicContact CG2-CD2 4.46Å; V23-F59 HydrophobicContact CG2-CE2 3.98Å; L50-F59 HydrophobicContact CB-CE2 4.41Å; L50-F59 HydrophobicContact CB-CZ 4.47Å; L50-F59 HydrophobicContact CD2-CB 3.82Å; L50-F59 HydrophobicContact CD2-CD1 3.47Å; L50-F59 VanDerWaalsContact CD2-CD1 3.47Å; L50-F59 HydrophobicContact CD2-CD2 3.53Å; L50-F59 HydrophobicContact CD2-CE1 3.83Å; L50-F59 HydrophobicContact CD2-CE2 3.86Å; L50-F59 HydrophobicContact CD2-CG 3.31Å; L50-F59 HydrophobicContact CD2-CZ 4.02Å; A54-F59 HydrophobicContact CB-CE2 3.44Å; A54-F59 VanDerWaalsContact CB-CE2 3.44Å; A54-F59 HydrophobicContact CB-CZ 3.8Å; L55-F59 WeakPolarHBondContact O-CD2 3.42Å; L56-F59 PolarHBondContact O-N 2.9Å; Q57-F59 PolarHBondContact O-N 2.89Å; F59-I61 VanDerWaalsContact C-N 3.27Å; F59-I61 HydrophobicContact CB-CD1 4.11Å; F59-I61 HydrophobicContact CB-CG1 3.98Å; F59-I61 PolarHBondContact O-N 2.93Å
60G90Very high92.8Very high49 Ų4960.5 Ų60.551%0.50534%0.335SS..THydrogen-bonded Turntrans67.128.4-17900000113.5Q57 D58 T62Q57-G60 PolarHBondContact O-N 2.82Å; Q57-G60 VanDerWaalsContact O-N 3.1Å; D58-G60 VanDerWaalsContact C-N 3.34Å; G60-T62 PolarHBondContact O-N 3.4Å
61I92.5Very high92.6Very high11 Ų1161.6 Ų61.66%0.05634%0.343CS..  trans-72.4125.3178.5-59.9170.8000109M1 L3 L50 L56 F59 D65M1-I61 HydrophobicContact CE-CB 3.98Å; M1-I61 HydrophobicContact CE-CG2 3.65Å; M1-I61 HydrophobicContact SD-CB 4.43Å; M1-I61 HydrophobicContact SD-CG2 3.92Å; M1-I61 VanDerWaalsContact SD-O 3.4Å; L3-I61 HydrophobicContact CD1-CG2 4.17Å; L3-I61 HydrophobicContact CD2-CG2 3.35Å; L3-I61 HydrophobicContact CG-CG2 4.41Å; L50-I61 HydrophobicContact CD1-CD1 4.06Å; L50-I61 HydrophobicContact CD2-CD1 4.28Å; L56-I61 HydrophobicContact CB-CD1 4.16Å; L56-I61 HydrophobicContact CD2-CD1 3.68Å; F59-I61 VanDerWaalsContact C-N 3.27Å; F59-I61 HydrophobicContact CB-CD1 4.11Å; F59-I61 HydrophobicContact CB-CG1 3.98Å; F59-I61 PolarHBondContact O-N 2.93Å; I61-D65 HydrophobicContact CG2-CB 4.21Å
62T92.4Very high92.1Very high79 Ų7963.7 Ų63.749%0.48535%0.35SS..  trans-107.7177.9-178.764.80000112.4G60 D65G60-T62 PolarHBondContact O-N 3.4Å; T62-D65 PolarHBondContact N-OD2 2.75Å; T62-D65 PolarHBondContact OG1-OD1 3.07Å; T62-D65 PolarHBondContact OG1-OD2 3.39Å
63D93.2Very high91.6Very high94 Ų9467.5 Ų67.550%0.50337%0.369SS..THydrogen-bonded Turntrans-68.8137.3173.5-160.747.3000110.6M1 R2 D65M1-D63 WeakPolarHBondContact CA-OD1 3.45Å; M1-D63 HydrophobicContact CB-CB 4.23Å; M1-D63 WeakPolarHBondContact CB-OD1 3.39Å; R2-D63 PolarHBondContact N-OD1 3.08Å; D63-D65 VanDerWaalsContact C-N 3.29Å; D63-D65 PolarHBondContact O-N 3.02Å
64L93Very high91Very high93 Ų9373.5 Ų73.549%0.48737%0.373SS..THydrogen-bonded Turntrans70.816.6-177.5-51.5175.4000115.2R2 F4R2-L64 HydrophobicContact CB-CD2 4.34Å; R2-L64 VanDerWaalsContact O-CA 3.26Å; R2-L64 WeakPolarHBondContact O-CA 3.37Å; R2-L64 PolarHBondContact O-N 3.3Å; F4-L64 WeakPolarHBondContact CD2-O 3.4Å; F4-L64 HydrophobicContact CE2-CB 3.9Å; F4-L64 HydrophobicContact CE2-CD2 3.83Å; F4-L64 HydrophobicContact CE2-CG 4.48Å; F4-L64 HydrophobicContact CZ-CD2 4.06Å
65D94.8Very high89.9Confident30 Ų3075.9 Ų75.916%0.1640%0.4CS..  trans-76.8158174.9-91.4-18.4000113.8L3 F4 H45 I61 T62 D63L3-D65 WeakPolarHBondContact CA-O 3.39Å; L3-D65 HydrophobicContact CD2-CB 4.28Å; F4-D65 PolarHBondContact N-O 2.8Å; H45-D65 IonicContact CE1-OD2 3.72Å; H45-D65 IonicContact NE2-OD2 2.62Å; H45-D65 PolarHBondContact NE2-OD2 3.18Å; I61-D65 HydrophobicContact CG2-CB 4.21Å; T62-D65 PolarHBondContact N-OD2 2.75Å; T62-D65 PolarHBondContact OG1-OD1 3.07Å; T62-D65 PolarHBondContact OG1-OD2 3.39Å; D63-D65 VanDerWaalsContact C-N 3.29Å; D63-D65 PolarHBondContact O-N 3.02Å
66Y94.1Very high88.9Confident100 Ų10076.7 Ų76.739%0.39243%0.425SS..EExtended strand (participates in β ladder)trans-97.2132.6177.5-67.2-86.4000112.1F4 R6 H45F4-Y66 HydrophobicContact CB-CD1 3.33Å; F4-Y66 HydrophobicContact CB-CE1 3.42Å; F4-Y66 VanDerWaalsContact CB-CE1 3.42Å; F4-Y66 HydrophobicContact CB-CG 4.11Å; F4-Y66 HydrophobicContact CD2-CD1 4.46Å; F4-Y66 HydrophobicContact CD2-CE1 4.06Å; F4-Y66 HydrophobicContact CD2-CE2 4.47Å; F4-Y66 HydrophobicContact CG-CD1 4.18Å; F4-Y66 AromaticContact CG-CE1 3.81Å; F4-Y66 HydrophobicContact CG-CE1 3.81Å; F4-Y66 CarbonylContact O-C 3.55Å; F4-Y66 VanDerWaalsContact O-CA 3.28Å; F4-Y66 WeakPolarHBondContact O-CA 3.47Å; R6-Y66 HydrophobicContact CG-CD1 3.85Å; H45-Y66 PolarHBondContact CD2-O 3.37Å
67V94.8Very high88Confident0 Ų079.9 Ų79.90%046%0.457CS..EExtended strand (participates in β ladder)trans-118.1125.7171.4179.60000109.1L3 F4 I5 R6 L26 L43 L50L3-V67 HydrophobicContact CD1-CG2 4.22Å; F4-V67 PolarHBondContact O-N 3.11Å; I5-V67 WeakPolarHBondContact CA-O 3.28Å; R6-V67 PolarHBondContact N-O 2.64Å; L26-V67 HydrophobicContact CD2-CG1 4.48Å; L43-V67 HydrophobicContact CB-CG1 4.2Å; L43-V67 HydrophobicContact CD2-CG1 4.43Å; L50-V67 HydrophobicContact CD1-CG1 4.15Å
68D94.7Very high87.2Confident37 Ų3783.6 Ų83.620%0.19847%0.472CS..EExtended strand (participates in β ladder)trans-88.7125179-67.1-44.5000110.6R6 L43 Y44R6-D68 WeakPolarHBondContact CB-OD1 3.41Å; R6-D68 IonicContact CZ-OD1 3.96Å; R6-D68 IonicContact CZ-OD2 3.1Å; R6-D68 IonicContact NE-OD1 2.68Å; R6-D68 PolarHBondContact NE-OD1 2.98Å; R6-D68 IonicContact NH2-OD1 2.8Å; R6-D68 PolarHBondContact NH2-OD1 3.19Å; R6-D68 IonicContact NH2-OD2 2.81Å; R6-D68 PolarHBondContact NH2-OD2 3.1Å; L43-D68 CarbonylContact C-O 3.59Å; L43-D68 WeakPolarHBondContact CA-O 3.28Å; Y44-D68 PolarHBondContact N-O 3.38Å; Y44-D68 PolarHBondContact O-N 3.49Å
69V94.1Very high86.3Confident0 Ų087.5 Ų87.50%048%0.483CS..EExtended strand (participates in β ladder)trans-105110.4176.9-1770000109.6I5 R6 I30 I36 Q41 L43I5-V69 HydrophobicContact CG2-CB 4.39Å; I5-V69 HydrophobicContact CG2-CG2 3.4Å; I5-V69 VanDerWaalsContact CG2-CG2 3.4Å; R6-V69 PolarHBondContact O-N 2.83Å; I30-V69 HydrophobicContact CD1-CG2 4.01Å; I30-V69 HydrophobicContact CG2-CG1 4.38Å; I30-V69 HydrophobicContact CG2-CG2 4.04Å; I36-V69 HydrophobicContact CD1-CG1 4.13Å; Q41-V69 HydrophobicContact CG-CG1 4.25Å; L43-V69 HydrophobicContact CD2-CB 4.17Å; L43-V69 HydrophobicContact CD2-CG1 4.14Å; L43-V69 HydrophobicContact CD2-CG2 3.53Å
70N91.9Very high85.5Confident78 Ų7896.2 Ų96.242%0.41751%0.514SS..EExtended strand (participates in β ladder)trans-104154171.9-70.6-30.2000110.9S42 Y44S42-N70 PolarHBondContact N-O 3.28Å; S42-N70 PolarHBondContact O-N 2.92Å; Y44-N70 HydrophobicContact CE2-CB 4.2Å
71C88.9Confident84.9Confident31 Ų31103 Ų10321%0.20953%0.53CS..EExtended strand (participates in β ladder)trans-127.6144.4175.2-560000109.2I36 L73I36-C71 WeakPolarHBondContact CG2-SG 3.46Å; C71-L73 PolarHBondContact O-N 3.38Å
72E84.5Confident84.3Confident161 Ų161112 Ų11275%0.75257%0.569SS**  trans-67.3121.9171-65.9-174.4171.800110.3
73L81Confident83.7Confident149 Ų149116.1 Ų116.178%0.7858%0.58SS**  trans-80.9122.5173.2-63.3176.7000109.7C71 G75C71-L73 PolarHBondContact O-N 3.38Å; L73-G75 PolarHBondContact O-N 3.42Å
74R77.3Confident83.2Confident256 Ų256118.9 Ų118.997%0.96660%0.595SS**SBendtrans-70.6113.4165.6-63.8-176.6179.3-174.60.6108.3
75G70.7Confident82.6Confident71 Ų71122.9 Ų122.973%0.73261%0.605SS**  trans13439160.200000119.7L73 G77L73-G75 PolarHBondContact O-N 3.42Å; G75-G77 PolarHBondContact O-N 2.85Å
76G71.4Confident82.2Confident84 Ų84127.9 Ų127.987%0.86664%0.636SS**  trans-72.246.2160.900000113.2K78G76-K78 PolarHBondContact O-N 2.87Å
77G73.8Confident81.7Confident67 Ų67127.8 Ų127.869%0.69165%0.646SS**  trans-52.4113.3-177.100000109.9G75 K79G75-G77 PolarHBondContact O-N 2.85Å; G77-K79 PolarHBondContact O-N 2.81Å
78K73.8Confident81.2Confident194 Ų194133.1 Ų133.184%0.84368%0.681SS**  trans-52.3109.7-174.8-170.2172.7-170.9168.90108.5G76 R80G76-K78 PolarHBondContact O-N 2.87Å; K78-R80 PolarHBondContact O-N 2.66Å
79K74.8Confident80.7Confident197 Ų197142 Ų14286%0.85772%0.718SS**  trans-50.5109.8178.6-172.5173.2-174.9171.80106.9G77 K81G77-K79 PolarHBondContact O-N 2.81Å; K79-K81 PolarHBondContact O-N 3.41Å
80R73.8Confident80.6Confident239 Ų239150.3 Ų150.390%0.90275%0.754SS**PPolyproline II helixtrans-55.6121.2-176.2-74-177.8173.8177.1-1.6106.9K78 K82K78-R80 PolarHBondContact O-N 2.66Å; R80-K82 PolarHBondContact O-N 3.1Å; R80-K82 VanDerWaalsContact O-N 3.12Å
81K77.6Confident80.5Confident192 Ų192154.4 Ų154.484%0.83577%0.774SS**PPolyproline II helixtrans-54.4124.4174.9-74.4-173.1178.1-178.40107.2K79 K83K79-K81 PolarHBondContact O-N 3.41Å; K81-K83 PolarHBondContact O-N 3.25Å; K81-K83 VanDerWaalsContact O-N 3.11Å
82K79.8Confident80.6Confident201 Ų201161.7 Ų161.787%0.87480%0.802SS**PPolyproline II helixtrans-54.6120177.4-172.9176.6-177.8178.90107.3R80 N84R80-K82 PolarHBondContact O-N 3.1Å; R80-K82 VanDerWaalsContact O-N 3.12Å; K82-N84 PolarHBondContact O-N 3.34Å
83K79.7Confident81Confident164 Ų164161.8 Ų161.871%0.71380%0.803SS**PPolyproline II helixtrans-60.5122.4176.5-67.4-169.6178.5-174.90107.8K81 Y85K81-K83 PolarHBondContact O-N 3.25Å; K81-K83 VanDerWaalsContact O-N 3.11Å; K83-Y85 HydrophobicContact CB-CE2 4.44Å; K83-Y85 WeakPolarHBondContact O-CD2 3.47Å; K83-Y85 PolarHBondContact O-N 3.4Å
84N81.9Confident81.5Confident152 Ų152163.6 Ų163.681%0.81380%0.804SS**  trans-77.6113.3173.3-161.67.5000107.4K82 T86K82-N84 PolarHBondContact O-N 3.34Å; N84-T86 PolarHBondContact O-N 2.98Å
85Y81.7Confident82.2Confident178 Ų178160.7 Ų160.770%0.69880%0.798SS**  trans-83.5108.6178.1-65.5-85.8000108K83 T87K83-Y85 HydrophobicContact CB-CE2 4.44Å; K83-Y85 WeakPolarHBondContact O-CD2 3.47Å; K83-Y85 PolarHBondContact O-N 3.4Å; Y85-T87 VanDerWaalsContact C-N 3.29Å
86T86Confident83.1Confident135 Ų135166.6 Ų166.683%0.82880%0.804SS**  trans-70-29179.351.50000112N84N84-T86 PolarHBondContact O-N 2.98Å
87T83.4Confident84Confident98 Ų98172.1 Ų172.160%0.60180%0.804SS**SBendtrans-97.4137.2178.355.80000111.5Y85 K89Y85-T87 VanDerWaalsContact C-N 3.29Å; T87-K89 PolarHBondContact O-N 3.35Å
88P83.4Confident84.8Confident112 Ų112172.8 Ų172.873%0.72780%0.795SS**  trans-55.4131.3171.9-22.331.8000111K90P88-K90 PolarHBondContact O-N 3.27Å
89K86.3Confident85.7Confident222 Ų222172.3 Ų172.397%0.96579%0.792SS**SBendtrans-57.1-23.4-178.5-173.3174.8-179.4-179.80114T87T87-K89 PolarHBondContact O-N 3.35Å
90K91.2Very high86.4Confident175 Ų175169 Ų16976%0.76178%0.784SS**SBendtrans-138.4129.7-174.5-170.1173.1-176.21750110.6P88 K92P88-K90 PolarHBondContact O-N 3.27Å; K90-K92 PolarHBondContact O-N 3.12Å
91I90.1Very high87Confident165 Ų165159.5 Ų159.585%0.84676%0.756SS**PPolyproline II helixtrans-68.1118.3170.7-58.6171.8000107.9
92K91Very high87.4Confident184 Ų184154.5 Ų154.580%0.874%0.742SS**PPolyproline II helixtrans-71.5139.2178.6-66-174.3-179.4-179.60110.2K90 K94K90-K92 PolarHBondContact O-N 3.12Å; K92-K94 PolarHBondContact O-N 2.84Å
93H93.1Very high87.8Confident163 Ų163150.3 Ų150.376%0.75573%0.729SS**PPolyproline II helixtrans-63120.7173.5178.874.7000110.3
94K91.7Very high88.2Confident186 Ų186148.9 Ų148.981%0.80972%0.722SS**  trans-87.6113.1174.4-65.3-175.2-179.7-178.80109.1K92 K96K92-K94 PolarHBondContact O-N 2.84Å; K94-K96 PolarHBondContact O-N 2.76Å
95K90.3Very high88.6Confident195 Ų195143.8 Ų143.885%0.84869%0.693SS**  trans-68.8124.1175.2-66.7-178.4-179.6178.50109.6
96K91.2Very high89.1Confident195 Ų195139 Ų13985%0.84867%0.674SS**  trans-81.6122.8171.2-66.6-177.8-179.8179.80109.2K94 V98K94-K96 PolarHBondContact O-N 2.76Å; K96-V98 PolarHBondContact O-N 2.65Å
97K90.2Very high89.4Confident200 Ų200138 Ų13887%0.8766%0.659SS**  trans-76112.6175.6-172.7174.8-176.5177.20109.3
98V89.9Confident89.8Confident82 Ų82138.1 Ų138.150%0.49766%0.659SS.*  trans-84.5115.8170.3-179.10000108K96 A101K96-V98 PolarHBondContact O-N 2.65Å; V98-A101 HydrophobicContact CB-CB 4.29Å; V98-A101 HydrophobicContact CG1-CB 4.26Å
99K92.4Very high90.3Very high183 Ų183135.5 Ų135.580%0.79664%0.639SS**THydrogen-bonded Turntrans-63.2137.5175.7-66.4-175.1179.9-1790109.5A101K99-A101 VanDerWaalsContact C-N 3.26Å; K99-A101 PolarHBondContact O-N 3.41Å
100L89.3Confident90.7Very high128 Ų128130.8 Ų130.867%0.6763%0.633SS**THydrogen-bonded Turntrans54.337.1175.1-56.7171.5000114.2T102 L103L100-T102 PolarHBondContact O-N 3Å; L100-L103 HydrophobicContact CB-CB 4.45Å; L100-L103 HydrophobicContact CB-CD1 4.09Å; L100-L103 HydrophobicContact CB-CG 4.35Å; L100-L103 HydrophobicContact CD1-CD1 4.15Å; L100-L103 HydrophobicContact CD2-CD1 4.11Å; L100-L103 HydrophobicContact CG-CD1 4.34Å; L100-L103 PolarHBondContact O-N 3.15Å; L100-L103 VanDerWaalsContact O-N 3.1Å
101A86.9Confident90.8Very high40 Ų40129.6 Ų129.633%0.33164%0.635SS.*G310 helixtrans-55.1-36.9-177.500000113.2V98 K99 L103 K104 F105V98-A101 HydrophobicContact CB-CB 4.29Å; V98-A101 HydrophobicContact CG1-CB 4.26Å; K99-A101 VanDerWaalsContact C-N 3.26Å; K99-A101 PolarHBondContact O-N 3.41Å; A101-L103 PolarHBondContact O-N 3.2Å; A101-K104 WeakPolarHBondContact O-CB 3.44Å; A101-K104 PolarHBondContact O-N 3.31Å; A101-F105 WeakPolarHBondContact O-CE1 3.28Å
102T86.2Confident90.9Very high87 Ų87124.2 Ų124.253%0.53462%0.621SS.*G310 helixtrans-66.2-34.3179.9-43.20000112.9L100 K104 F105 Y106L100-T102 PolarHBondContact O-N 3Å; T102-K104 PolarHBondContact O-N 3.04Å; T102-F105 HydrophobicContact CG2-CD2 4.23Å; T102-F105 VanDerWaalsContact O-CB 3.3Å; T102-F105 WeakPolarHBondContact O-CB 3.35Å; T102-F105 WeakPolarHBondContact O-CG 3.32Å; T102-F105 PolarHBondContact O-N 3.16Å; T102-F105 VanDerWaalsContact O-N 3.09Å; T102-Y106 HydrophobicContact CG2-CE2 4.43Å; T102-Y106 WeakPolarHBondContact O-CD2 3.11Å
103L88.9Confident91Very high113 Ų113122.4 Ų122.459%0.59261%0.613SS**G310 helixtrans-65.5-26.7179.2-68.3-174.3000112.2L100 A101 F105 Y106L100-L103 HydrophobicContact CB-CB 4.45Å; L100-L103 HydrophobicContact CB-CD1 4.09Å; L100-L103 HydrophobicContact CB-CG 4.35Å; L100-L103 HydrophobicContact CD1-CD1 4.15Å; L100-L103 HydrophobicContact CD2-CD1 4.11Å; L100-L103 HydrophobicContact CG-CD1 4.34Å; L100-L103 PolarHBondContact O-N 3.15Å; L100-L103 VanDerWaalsContact O-N 3.1Å; A101-L103 PolarHBondContact O-N 3.2Å; L103-F105 PolarHBondContact O-N 3.39Å; L103-Y106 PolarHBondContact O-N 3.4Å
104K88.2Confident90.9Very high133 Ų133118.7 Ų118.758%0.57860%0.602SS**G310 helixtrans-64.9-7.3175.3-59.5-173.7174.7-1710113.6A101 T102 Y106A101-K104 WeakPolarHBondContact O-CB 3.44Å; A101-K104 PolarHBondContact O-N 3.31Å; T102-K104 PolarHBondContact O-N 3.04Å; K104-Y106 VanDerWaalsContact C-N 3.33Å
105F90.3Very high90.9Very high45 Ų45112.1 Ų112.120%0.19758%0.577CS.*G310 helixtrans-89.9-7.5-178.8-55.9-12.1000111.9A101 T102 L103 L117 R118 F131A101-F105 WeakPolarHBondContact O-CE1 3.28Å; T102-F105 HydrophobicContact CG2-CD2 4.23Å; T102-F105 VanDerWaalsContact O-CB 3.3Å; T102-F105 WeakPolarHBondContact O-CB 3.35Å; T102-F105 WeakPolarHBondContact O-CG 3.32Å; T102-F105 PolarHBondContact O-N 3.16Å; T102-F105 VanDerWaalsContact O-N 3.09Å; L103-F105 PolarHBondContact O-N 3.39Å; F105-L117 WeakPolarHBondContact O-CB 3.37Å; F105-L117 PolarHBondContact O-N 3.15Å; F105-R118 VanDerWaalsContact CD1-CZ 3.47Å; F105-F131 HydrophobicContact CB-CD2 4.42Å; F105-F131 HydrophobicContact CD2-CB 4.2Å; F105-F131 AromaticContact CD2-CD2 3.57Å; F105-F131 HydrophobicContact CD2-CD2 3.57Å; F105-F131 HydrophobicContact CD2-CE2 4.23Å; F105-F131 HydrophobicContact CD2-CG 4.02Å; F105-F131 HydrophobicContact CE2-CB 4.41Å; F105-F131 HydrophobicContact CE2-CD2 4.27Å; F105-F131 HydrophobicContact CG-CD2 4.4Å
106Y91.9Very high90.9Very high77 Ų77110.1 Ų110.130%0.30256%0.564SS.*EExtended strand (participates in β ladder)trans-120.8142.3-177.3-56.1-85.7000109.8T102 L103 K104 V114 T115 R116 F131T102-Y106 HydrophobicContact CG2-CE2 4.43Å; T102-Y106 WeakPolarHBondContact O-CD2 3.11Å; L103-Y106 PolarHBondContact O-N 3.4Å; K104-Y106 VanDerWaalsContact C-N 3.33Å; Y106-V114 HydrophobicContact CD1-CG1 3.74Å; Y106-V114 HydrophobicContact CG-CG1 4.26Å; Y106-T115 WeakPolarHBondContact CA-O 3.46Å; Y106-R116 HydrophobicContact CD1-CG 4.02Å; Y106-R116 HydrophobicContact CE1-CG 3.86Å; Y106-F131 HydrophobicContact CE1-CE2 4.47Å; Y106-F131 AromaticContact CE1-CZ 3.91Å; Y106-F131 HydrophobicContact CE1-CZ 3.91Å; Y106-F131 HydrophobicContact CE2-CE2 4.32Å; Y106-F131 AromaticContact CZ-CE2 3.78Å; Y106-F131 AromaticContact CZ-CZ 3.68Å; Y106-F131 VanDerWaalsContact OH-CE2 3.24Å; Y106-F131 WeakPolarHBondContact OH-CE2 3.35Å; Y106-F131 WeakPolarHBondContact OH-CZ 3.38Å
107K91.4Very high90.9Very high116 Ų116106.1 Ų106.150%0.50455%0.551SS.*EExtended strand (participates in β ladder)trans-114.1127.6166174.4-178.4177.6-173.20107.7T115 L117K107-T115 WeakPolarHBondContact CB-OG1 3.5Å; K107-T115 PolarHBondContact N-O 3.19Å; K107-T115 PolarHBondContact O-N 2.92Å; K107-T115 PolarHBondContact O-OG1 2.86Å; K107-L117 HydrophobicContact CB-CD1 4.24Å; K107-L117 HydrophobicContact CB-CD2 3.95Å; K107-L117 HydrophobicContact CB-CG 4.14Å
108V92.7Very high90.9Very high100 Ų100100.4 Ų100.461%0.60653%0.525SS*.EExtended strand (participates in β ladder)trans-104120.1177.8-174.50000107.2V114V108-V114 HydrophobicContact CG2-CG2 4.32Å
109D93Very high90.8Very high57 Ų57101.9 Ų101.931%0.30552%0.521SS..  trans-80.5162.3174-62.3-37.9000110.4N111 G112 K113D109-N111 PolarHBondContact O-N 2.87Å; D109-N111 VanDerWaalsContact O-N 3.08Å; D109-G112 PolarHBondContact O-N 3.22Å; D109-K113 PolarHBondContact N-O 3.22Å
110S94Very high90.7Very high122 Ų12295.8 Ų95.885%0.85350%0.496SS*.THydrogen-bonded Turntrans-56-28.4-18053.40000113.7G112S110-G112 PolarHBondContact O-N 3.26Å
111N93.5Very high90.7Very high150 Ų15090.1 Ų90.180%0.80247%0.466SS*.THydrogen-bonded Turntrans-80.95.5179.6-57.6-9.3000112.7D109 K113D109-N111 PolarHBondContact O-N 2.87Å; D109-N111 VanDerWaalsContact O-N 3.08Å; N111-K113 VanDerWaalsContact C-N 3.27Å; N111-K113 PolarHBondContact O-N 2.68Å
112G92Very high90.8Very high53 Ų5391.3 Ų91.355%0.54647%0.471SS..SBendtrans78.93.7-177.600000114.7D109 S110D109-G112 PolarHBondContact O-N 3.22Å; S110-G112 PolarHBondContact O-N 3.26Å
113K94.2Very high90.8Very high145 Ų14589.8 Ų89.863%0.6346%0.459SS*.  trans-73.3128.4176-170.6176.5-179.8179.10110.1D109 N111D109-K113 PolarHBondContact N-O 3.22Å; N111-K113 VanDerWaalsContact C-N 3.27Å; N111-K113 PolarHBondContact O-N 2.68Å
114V91Very high90.6Very high86 Ų8692.2 Ų92.252%0.52147%0.473SS..EExtended strand (participates in β ladder)trans-99.1122.8178.4-175.80000109.9Y106 V108Y106-V114 HydrophobicContact CD1-CG1 3.74Å; Y106-V114 HydrophobicContact CG-CG1 4.26Å; V108-V114 HydrophobicContact CG2-CG2 4.32Å
115T91.3Very high90.4Very high47 Ų4794 Ų9429%0.28848%0.481SS..EExtended strand (participates in β ladder)trans-108.4135.1173.356.80000110.2Y106 K107Y106-T115 WeakPolarHBondContact CA-O 3.46Å; K107-T115 WeakPolarHBondContact CB-OG1 3.5Å; K107-T115 PolarHBondContact N-O 3.19Å; K107-T115 PolarHBondContact O-N 2.92Å; K107-T115 PolarHBondContact O-OG1 2.86Å
116R90.3Very high90.1Very high154 Ų15492 Ų9258%0.58147%0.472SS*.EExtended strand (participates in β ladder)trans-85.8123.3176.2-65.3175.4-172.7154.85.2108.5Y106 E120 F131Y106-R116 HydrophobicContact CD1-CG 4.02Å; Y106-R116 HydrophobicContact CE1-CG 3.86Å; R116-E120 VanDerWaalsContact CD-OE1 3.29Å; R116-E120 WeakPolarHBondContact CD-OE1 3.41Å; R116-E120 IonicContact CZ-OE1 3.84Å; R116-E120 IonicContact NE-OE1 2.8Å; R116-E120 PolarHBondContact NE-OE1 3.11Å; R116-E120 IonicContact NH1-OE1 3.71Å; R116-E120 PolarHBondContact NH1-OE1 3.13Å; R116-E120 IonicContact NH1-OE2 3.12Å; R116-F131 HydrophobicContact CB-CE1 4.2Å; R116-F131 HydrophobicContact CG-CE1 4.2Å; R116-F131 HydrophobicContact CG-CZ 4.34Å
117L91.2Very high89.6Confident110 Ų11090.3 Ų90.358%0.57648%0.478SS*.  trans-84.9-19-178.7-63.8175.7000113.2F105 K107F105-L117 WeakPolarHBondContact O-CB 3.37Å; F105-L117 PolarHBondContact O-N 3.15Å; K107-L117 HydrophobicContact CB-CD1 4.24Å; K107-L117 HydrophobicContact CB-CD2 3.95Å; K107-L117 HydrophobicContact CB-CG 4.14Å
118R90.4Very high89.2Confident81 Ų8189.2 Ų89.231%0.30649%0.491SS..SBendtrans-114149.2179.2-75-179169.174-4.1110.5F105 F131 M132F105-R118 VanDerWaalsContact CD1-CZ 3.47Å; R118-F131 HydrophobicContact CB-CB 3.94Å; R118-F131 HydrophobicContact CB-CD1 3.75Å; R118-F131 HydrophobicContact CB-CG 4.15Å; R118-F131 WeakPolarHBondContact O-CD1 3.45Å; R118-M132 WeakPolarHBondContact CD-O 3.37Å
119R88.3Confident88.8Confident113 Ų11386.7 Ų86.743%0.42649%0.485SS..PPolyproline II helixtrans-69.2140.1172.4-172.6-178.2177.1-175.91.1111.1F131 M132 E139R119-F131 WeakPolarHBondContact O-CA 3.46Å; R119-M132 PolarHBondContact O-N 3.36Å; R119-E139 VanDerWaalsContact CD-OE2 3.3Å; R119-E139 WeakPolarHBondContact CD-OE2 3.45Å; R119-E139 IonicContact NH1-OE2 2.64Å
120E89.8Confident88.6Confident55 Ų5585.6 Ų85.626%0.25748%0.48SS..BIsolated β-bridgetrans-79.1144.3169.7-67.6-177.6-178.900110.9R116 P122 F131R116-E120 VanDerWaalsContact CD-OE1 3.29Å; R116-E120 WeakPolarHBondContact CD-OE1 3.41Å; R116-E120 IonicContact CZ-OE1 3.84Å; R116-E120 IonicContact NE-OE1 2.8Å; R116-E120 PolarHBondContact NE-OE1 3.11Å; R116-E120 IonicContact NH1-OE1 3.71Å; R116-E120 PolarHBondContact NH1-OE1 3.13Å; R116-E120 IonicContact NH1-OE2 3.12Å; E120-P122 WeakPolarHBondContact O-CD 3.21Å; E120-F131 HydrophobicContact CG-CD1 4.17Å; E120-F131 HydrophobicContact CG-CE1 3.94Å
121C90Very high88.4Confident8 Ų880.8 Ų80.85%0.05444%0.444CS..PPolyproline II helixtrans-64.2128178-169.10000109.9N123 C126 V130 M132 C141 C144C121-N123 VanDerWaalsContact C-N 3.26Å; C121-N123 PolarHBondContact O-N 3.35Å; C121-C126 HydrophobicContact CB-CB 3.7Å; C121-V130 HydrophobicContact CB-CB 4.36Å; C121-V130 HydrophobicContact CB-CG1 4.18Å; C121-V130 PolarHBondContact N-O 2.87Å; C121-M132 HydrophobicContact CB-CG 4.23Å; C121-C141 HydrophobicContact CB-CB 4.39Å; C121-C144 PolarHBondContact SG-SG 3.14Å
122P87.7Confident88.4Confident65 Ų6573.8 Ų73.842%0.42241%0.407SS..  trans-82.30.5-178.831.7-35.4000113.9E120 L146 Y148E120-P122 WeakPolarHBondContact O-CD 3.21Å; P122-L146 HydrophobicContact CG-CD2 4.05Å; P122-Y148 HydrophobicContact CG-CE2 3.75Å; P122-Y148 WeakPolarHBondContact CG-OH 3.09Å
123N86.3Confident88.3Confident55 Ų5573 Ų7329%0.29440%0.395SS..SBendtrans-78132.5-178.2-174.5-19.5000109.9C121 K125 C126 C144 L146C121-N123 VanDerWaalsContact C-N 3.26Å; C121-N123 PolarHBondContact O-N 3.35Å; N123-K125 PolarHBondContact O-N 3.21Å; N123-K125 PolarHBondContact OD1-N 3.34Å; N123-C126 HydrophobicContact CB-CB 4.38Å; N123-C126 CarbonylContact O-C 3.52Å; N123-C126 WeakPolarHBondContact O-CA 3.25Å; N123-C126 PolarHBondContact O-N 3.39Å; N123-C144 WeakPolarHBondContact ND2-CB 3.49Å; N123-L146 HydrophobicContact CB-CD2 4.47Å
124D84.2Confident88.1Confident165 Ų16569.6 Ų69.688%0.88239%0.389SS*.THydrogen-bonded Turntrans-51.8-32.8178.7-74.2-22.9000113.6C126D124-C126 VanDerWaalsContact C-N 3.25Å; D124-C126 PolarHBondContact O-N 3.07Å
125K85.8Confident88.1Confident170 Ų17069.4 Ų69.474%0.73938%0.383SS*.THydrogen-bonded Turntrans-72-19.7176.8-64.7-175.9178.2179.60113.5N123 K143N123-K125 PolarHBondContact O-N 3.21Å; N123-K125 PolarHBondContact OD1-N 3.34Å; K125-K143 PolarHBondContact O-NZ 3.24Å; K125-K143 VanDerWaalsContact O-NZ 3.08Å
126C84Confident88.1Confident2 Ų276.4 Ų76.41%0.01441%0.41CS..SBendtrans-12268.3-176.5-62.60000109.4C121 N123 D124 V130 C144C121-C126 HydrophobicContact CB-CB 3.7Å; N123-C126 HydrophobicContact CB-CB 4.38Å; N123-C126 CarbonylContact O-C 3.52Å; N123-C126 WeakPolarHBondContact O-CA 3.25Å; N123-C126 PolarHBondContact O-N 3.39Å; D124-C126 VanDerWaalsContact C-N 3.25Å; D124-C126 PolarHBondContact O-N 3.07Å; C126-V130 HydrophobicContact CB-CB 4.14Å; C126-V130 HydrophobicContact CB-CG1 4.12Å; C126-V130 HydrophobicContact CB-CG2 4.24Å; C126-C144 WeakPolarHBondContact SG-CB 3.48Å; C126-C144 VanDerWaalsContact SG-SG 3.62Å
127G80.7Confident88.2Confident42 Ų4271.5 Ų71.543%0.43340%0.395SS..  trans-69-161.7178.800000115.3G129 V130G127-G129 PolarHBondContact O-N 2.83Å; G127-V130 PolarHBondContact O-N 3.44Å
128A82.1Confident88.3Confident93 Ų9371 Ų7177%0.76939%0.385SS*.THydrogen-bonded Turntrans-48.2129.5-17700000112.5
129G84.2Confident88.4Confident47 Ų4769 Ų6949%0.48538%0.379SS..THydrogen-bonded Turntrans100.8-12.7-17900000115.7G127 F131G127-G129 PolarHBondContact O-N 2.83Å; G129-F131 PolarHBondContact O-N 2.79Å
130V89.7Confident88.7Confident34 Ų3466.9 Ų66.921%0.20637%0.372CS..  trans-89.999.8171.7-175.50000110C121 C126 G127 C141 K143C121-V130 HydrophobicContact CB-CB 4.36Å; C121-V130 HydrophobicContact CB-CG1 4.18Å; C121-V130 PolarHBondContact N-O 2.87Å; C126-V130 HydrophobicContact CB-CB 4.14Å; C126-V130 HydrophobicContact CB-CG1 4.12Å; C126-V130 HydrophobicContact CB-CG2 4.24Å; G127-V130 PolarHBondContact O-N 3.44Å; V130-C141 VanDerWaalsContact CG1-SG 3.59Å; V130-K143 HydrophobicContact CG1-CB 4.08Å; V130-K143 HydrophobicContact CG2-CD 3.95Å
131F90.9Very high88.8Confident22 Ų2264.3 Ų64.310%0.09636%0.36CS..BIsolated β-bridgetrans-82.5138.1177.1-63.9-77.1000112.3F105 Y106 R116 R118 R119 E120 G129F105-F131 HydrophobicContact CB-CD2 4.42Å; F105-F131 HydrophobicContact CD2-CB 4.2Å; F105-F131 AromaticContact CD2-CD2 3.57Å; F105-F131 HydrophobicContact CD2-CD2 3.57Å; F105-F131 HydrophobicContact CD2-CE2 4.23Å; F105-F131 HydrophobicContact CD2-CG 4.02Å; F105-F131 HydrophobicContact CE2-CB 4.41Å; F105-F131 HydrophobicContact CE2-CD2 4.27Å; F105-F131 HydrophobicContact CG-CD2 4.4Å; Y106-F131 HydrophobicContact CE1-CE2 4.47Å; Y106-F131 AromaticContact CE1-CZ 3.91Å; Y106-F131 HydrophobicContact CE1-CZ 3.91Å; Y106-F131 HydrophobicContact CE2-CE2 4.32Å; Y106-F131 AromaticContact CZ-CE2 3.78Å; Y106-F131 AromaticContact CZ-CZ 3.68Å; Y106-F131 VanDerWaalsContact OH-CE2 3.24Å; Y106-F131 WeakPolarHBondContact OH-CE2 3.35Å; Y106-F131 WeakPolarHBondContact OH-CZ 3.38Å; R116-F131 HydrophobicContact CB-CE1 4.2Å; R116-F131 HydrophobicContact CG-CE1 4.2Å; R116-F131 HydrophobicContact CG-CZ 4.34Å; R118-F131 HydrophobicContact CB-CB 3.94Å; R118-F131 HydrophobicContact CB-CD1 3.75Å; R118-F131 HydrophobicContact CB-CG 4.15Å; R118-F131 WeakPolarHBondContact O-CD1 3.45Å; R119-F131 WeakPolarHBondContact O-CA 3.46Å; E120-F131 HydrophobicContact CG-CD1 4.17Å; E120-F131 HydrophobicContact CG-CE1 3.94Å; G129-F131 PolarHBondContact O-N 2.79Å
132M91.7Very high88.7Confident3 Ų367 Ų672%0.01539%0.389CS..PPolyproline II helixtrans-74.4134.6169.6-60-169.771.400110R118 R119 C121 S134 E139 Y140 C141 L146 Y148R118-M132 WeakPolarHBondContact CD-O 3.37Å; R119-M132 PolarHBondContact O-N 3.36Å; C121-M132 HydrophobicContact CB-CG 4.23Å; M132-S134 PolarHBondContact O-N 3.5Å; M132-E139 HydrophobicContact CB-CB 4.1Å; M132-E139 HydrophobicContact CE-CB 3.92Å; M132-E139 WeakPolarHBondContact CE-O 3.28Å; M132-E139 HydrophobicContact SD-CB 4.4Å; M132-Y140 CarbonylContact C-O 3.41Å; M132-Y140 WeakPolarHBondContact CA-O 3.33Å; M132-C141 HydrophobicContact CE-CB 4.33Å; M132-C141 HydrophobicContact CG-CB 4.32Å; M132-L146 WeakPolarHBondContact CE-O 3.36Å; M132-Y148 HydrophobicContact CE-CD2 3.58Å; M132-Y148 HydrophobicContact CE-CE2 4.09Å; M132-Y148 HydrophobicContact SD-CD2 3.76Å; M132-Y148 HydrophobicContact SD-CE2 3.95Å
133A91.8Very high88.7Confident36 Ų3670.4 Ų70.430%0.29840%0.397SS..EExtended strand (participates in β ladder)trans-75120.4173.400000109.5H135 E139 Y140A133-H135 PolarHBondContact O-N 3.44Å; A133-E139 CarbonylContact O-C 3.58Å; A133-E139 VanDerWaalsContact O-CA 3.3Å; A133-E139 WeakPolarHBondContact O-CA 3.23Å; A133-Y140 PolarHBondContact N-O 3.14Å; A133-Y140 PolarHBondContact O-N 3.32Å
134S89.4Confident89Confident74 Ų7469.1 Ų69.152%0.51739%0.392SS..EExtended strand (participates in β ladder)trans-77.6116.6169.5173.10000109.4M132M132-S134 PolarHBondContact O-N 3.5Å
135H91.6Very high89.3Confident82 Ų8265.6 Ų65.638%0.3838%0.376SS..  trans-103.3174.1164.7-66.2-84.1000108.7A133 D137 R138 H150A133-H135 PolarHBondContact O-N 3.44Å; H135-D137 VanDerWaalsContact C-N 3.28Å; H135-D137 PolarHBondContact O-N 3.46Å; H135-R138 WeakPolarHBondContact CA-O 3.38Å; H135-R138 HydrophobicContact CB-CG 3.84Å; H135-R138 WeakPolarHBondContact CB-O 3.47Å; H135-R138 PolarHBondContact N-O 3.29Å; H135-H150 PolarHBondContact O-NE2 3.36Å
136F90.1Very high89.5Confident194 Ų19460.2 Ų60.285%0.85136%0.355SS*.SBendtrans-61.7-36.4-176.1102.6-89.1000112.8
137D92.2Very high89.9Confident51 Ų5163.1 Ų63.127%0.27337%0.373SS..SBendtrans-109.9-9.3-173.160-37.1000113.5H135 K149 H150H135-D137 VanDerWaalsContact C-N 3.28Å; H135-D137 PolarHBondContact O-N 3.46Å; D137-K149 WeakPolarHBondContact O-CA 3.26Å; D137-H150 PolarHBondContact O-N 2.79Å
138R92.6Very high90.4Very high98 Ų9865.2 Ų65.237%0.3737%0.369SS..EExtended strand (participates in β ladder)trans-159.6156.3-169.467.5-167-170.3-1514.4114.6H135 T147 Y148 H150H135-R138 WeakPolarHBondContact CA-O 3.38Å; H135-R138 HydrophobicContact CB-CG 3.84Å; H135-R138 WeakPolarHBondContact CB-O 3.47Å; H135-R138 PolarHBondContact N-O 3.29Å; R138-T147 HydrophobicContact CB-CG2 3.86Å; R138-T147 HydrophobicContact CG-CG2 4.12Å; R138-Y148 CarbonylContact C-O 3.52Å; R138-Y148 WeakPolarHBondContact CA-O 3.04Å; R138-Y148 VanDerWaalsContact CB-O 3.28Å; R138-Y148 WeakPolarHBondContact CB-O 3.43Å; R138-H150 PolarHBondContact N-CD2 3.48Å; R138-H150 VanDerWaalsContact N-CD2 3.32Å
139E92.8Very high90.8Very high39 Ų3969.1 Ų69.118%0.18237%0.368CS..EExtended strand (participates in β ladder)trans-98.5129.9160.3-54.6-172.9140.600109.3R119 M132 A133 T147 Y148 H150R119-E139 VanDerWaalsContact CD-OE2 3.3Å; R119-E139 WeakPolarHBondContact CD-OE2 3.45Å; R119-E139 IonicContact NH1-OE2 2.64Å; M132-E139 HydrophobicContact CB-CB 4.1Å; M132-E139 HydrophobicContact CE-CB 3.92Å; M132-E139 WeakPolarHBondContact CE-O 3.28Å; M132-E139 HydrophobicContact SD-CB 4.4Å; A133-E139 CarbonylContact O-C 3.58Å; A133-E139 VanDerWaalsContact O-CA 3.3Å; A133-E139 WeakPolarHBondContact O-CA 3.23Å; E139-T147 CarbonylContact O-C 3.56Å; E139-T147 VanDerWaalsContact O-CA 3.27Å; E139-T147 WeakPolarHBondContact O-CA 3.09Å; E139-Y148 PolarHBondContact N-O 2.94Å; E139-Y148 PolarHBondContact O-N 2.85Å; E139-H150 VanDerWaalsContact CG-CE1 3.42Å; E139-H150 WeakPolarHBondContact CG-CE1 3.48Å; E139-H150 IonicContact OE1-CE1 3.35Å
140Y94.3Very high91Very high70 Ų7070.2 Ų70.228%0.27536%0.361SS..EExtended strand (participates in β ladder)trans-126.9128.4-176.3175.9-105000112.2M132 A133 T145 T147M132-Y140 CarbonylContact C-O 3.41Å; M132-Y140 WeakPolarHBondContact CA-O 3.33Å; A133-Y140 PolarHBondContact N-O 3.14Å; A133-Y140 PolarHBondContact O-N 3.32Å; Y140-T145 WeakPolarHBondContact OH-CG2 3.41Å; Y140-T147 WeakPolarHBondContact CD2-OG1 3.48Å
141C92.7Very high90.7Very high0 Ų075 Ų750%039%0.39CS..  trans-87.5117.2171.6-176.50000111C121 V130 M132 K143 C144 T145 L146C121-C141 HydrophobicContact CB-CB 4.39Å; V130-C141 VanDerWaalsContact CG1-SG 3.59Å; M132-C141 HydrophobicContact CE-CB 4.33Å; M132-C141 HydrophobicContact CG-CB 4.32Å; C141-K143 PolarHBondContact O-N 2.87Å; C141-K143 PolarHBondContact SG-N 3.02Å; C141-C144 VanDerWaalsContact CB-SG 3.58Å; C141-C144 PolarHBondContact SG-SG 2.68Å; C141-T145 WeakPolarHBondContact O-CA 3.45Å; C141-T145 PolarHBondContact O-N 2.8Å; C141-L146 HydrophobicContact CB-CB 4.35Å; C141-L146 PolarHBondContact N-O 3.01Å
142G87.4Confident89.8Confident64 Ų6480.9 Ų80.966%0.6642%0.422SS*.THydrogen-bonded Turntrans-68.9-12.217700000115.4
143K89.2Confident88Confident137 Ų13793.8 Ų93.860%0.59648%0.478SS*.THydrogen-bonded Turntrans-96.7-51.9-178.1-171.8-179.8179.7-1600112.7K125 V130 C141K125-K143 PolarHBondContact O-NZ 3.24Å; K125-K143 VanDerWaalsContact O-NZ 3.08Å; V130-K143 HydrophobicContact CG1-CB 4.08Å; V130-K143 HydrophobicContact CG2-CD 3.95Å; C141-K143 PolarHBondContact O-N 2.87Å; C141-K143 PolarHBondContact SG-N 3.02Å
144C91.4Very high87.8Confident28 Ų2896.7 Ų96.719%0.18949%0.487CS..THydrogen-bonded Turntrans-100.6-1.5179.661.40000114.4C121 N123 C126 C141 L146C121-C144 PolarHBondContact SG-SG 3.14Å; N123-C144 WeakPolarHBondContact ND2-CB 3.49Å; C126-C144 WeakPolarHBondContact SG-CB 3.48Å; C126-C144 VanDerWaalsContact SG-SG 3.62Å; C141-C144 VanDerWaalsContact CB-SG 3.58Å; C141-C144 PolarHBondContact SG-SG 2.68Å; C144-L146 PolarHBondContact O-N 3.39Å; C144-L146 VanDerWaalsContact O-N 3.12Å; C144-L146 WeakPolarHBondContact SG-CB 3.4Å
145T89.9Confident87.7Confident91 Ų9197.8 Ų97.856%0.55849%0.486SS*.  trans63.88.3-176.472.50000115.5Y140 C141 T147Y140-T145 WeakPolarHBondContact OH-CG2 3.41Å; C141-T145 WeakPolarHBondContact O-CA 3.45Å; C141-T145 PolarHBondContact O-N 2.8Å; T145-T147 PolarHBondContact O-N 2.93Å; T145-T147 PolarHBondContact O-OG1 2.92Å
146L90.2Very high87.5Confident57 Ų5798.7 Ų98.730%0.29849%0.492SS..  trans-61134174.2-173.470.5000110.4P122 N123 M132 C141 C144 Y148P122-L146 HydrophobicContact CG-CD2 4.05Å; N123-L146 HydrophobicContact CB-CD2 4.47Å; M132-L146 WeakPolarHBondContact CE-O 3.36Å; C141-L146 HydrophobicContact CB-CB 4.35Å; C141-L146 PolarHBondContact N-O 3.01Å; C144-L146 PolarHBondContact O-N 3.39Å; C144-L146 VanDerWaalsContact O-N 3.12Å; C144-L146 WeakPolarHBondContact SG-CB 3.4Å; L146-Y148 HydrophobicContact CD2-CE2 3.91Å; L146-Y148 HydrophobicContact CG-CE2 4.43Å
147T93.2Very high87.3Confident64 Ų6493.1 Ų93.139%0.39347%0.47SS..EExtended strand (participates in β ladder)trans-129.8128.3-176.1-50.10000110.3R138 E139 Y140 T145R138-T147 HydrophobicContact CB-CG2 3.86Å; R138-T147 HydrophobicContact CG-CG2 4.12Å; E139-T147 CarbonylContact O-C 3.56Å; E139-T147 VanDerWaalsContact O-CA 3.27Å; E139-T147 WeakPolarHBondContact O-CA 3.09Å; Y140-T147 WeakPolarHBondContact CD2-OG1 3.48Å; T145-T147 PolarHBondContact O-N 2.93Å; T145-T147 PolarHBondContact O-OG1 2.92Å
148Y91.3Very high87Confident85 Ų8595.8 Ų95.833%0.33348%0.483SS..EExtended strand (participates in β ladder)trans-108.7127167.6-68.4-64000108.9P122 M132 R138 E139 L146P122-Y148 HydrophobicContact CG-CE2 3.75Å; P122-Y148 WeakPolarHBondContact CG-OH 3.09Å; M132-Y148 HydrophobicContact CE-CD2 3.58Å; M132-Y148 HydrophobicContact CE-CE2 4.09Å; M132-Y148 HydrophobicContact SD-CD2 3.76Å; M132-Y148 HydrophobicContact SD-CE2 3.95Å; R138-Y148 CarbonylContact C-O 3.52Å; R138-Y148 WeakPolarHBondContact CA-O 3.04Å; R138-Y148 VanDerWaalsContact CB-O 3.28Å; R138-Y148 WeakPolarHBondContact CB-O 3.43Å; E139-Y148 PolarHBondContact N-O 2.94Å; E139-Y148 PolarHBondContact O-N 2.85Å; L146-Y148 HydrophobicContact CD2-CE2 3.91Å; L146-Y148 HydrophobicContact CG-CE2 4.43Å
149K90.9Very high86.7Confident175 Ų17595.6 Ų95.676%0.76149%0.49SS*.EExtended strand (participates in β ladder)trans-79.1140.9171-67.1-176.5178.9-178.70109.1D137 V151D137-K149 WeakPolarHBondContact O-CA 3.26Å; K149-V151 PolarHBondContact O-N 2.76Å
150H88.2Confident86.2Confident71 Ų7199.6 Ų99.633%0.32951%0.512SS..  trans-65.3129.6170.5-68.3-55.8000108.4H135 D137 R138 E139 N152H135-H150 PolarHBondContact O-NE2 3.36Å; D137-H150 PolarHBondContact O-N 2.79Å; R138-H150 PolarHBondContact N-CD2 3.48Å; R138-H150 VanDerWaalsContact N-CD2 3.32Å; E139-H150 VanDerWaalsContact CG-CE1 3.42Å; E139-H150 WeakPolarHBondContact CG-CE1 3.48Å; E139-H150 IonicContact OE1-CE1 3.35Å; H150-N152 PolarHBondContact O-N 2.7Å; H150-N152 VanDerWaalsContact O-N 3.14Å
151V82.8Confident85.6Confident135 Ų135101.9 Ų101.982%0.81853%0.531SS*.  trans-73.6104.9168.3-178.40000105.4K149 K153K149-V151 PolarHBondContact O-N 2.76Å; V151-K153 PolarHBondContact O-N 2.85Å
152N71.6Confident85Confident145 Ų145110.4 Ų110.478%0.77558%0.575SS**  trans-57.8112.8166.2-71.5-16.7000106.3H150H150-N152 PolarHBondContact O-N 2.7Å; H150-N152 VanDerWaalsContact O-N 3.14Å
153K54Low84.8Confident273 Ų273114.6 Ų114.6100%1.18757%0.567SS**  trans-71.30161.3-83.2-174.3175.3-177.70108.9V151V151-K153 PolarHBondContact O-N 2.85Å

Retrieved 153 of 153 residues in 28.2 ms (Link to these results)

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