A0A3Q0KH56_SCHMA Loading...

Small ribosomal subunit protein uS10

AlphaFold DB (Q15EU0), UniProt , Accession A0A3Q0KH56, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 117 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
1M45.3Very low52.2Low240 Ų240159.5 Ų159.5100%1.18284%0.837SS**  01000-62.9-175.7-166.700106.3E3M1-E3 PolarHBondContact O-N 3.36Å
2T51.8Low53.3Low148 Ų148154.3 Ų154.391%0.90882%0.824SS**  trans-70.8113.1179.816.80000108.3K4T2-K4 PolarHBondContact O-N 2.65Å; T2-K4 VanDerWaalsContact O-N 3.11Å
3E46.2Very low55Low188 Ų188149.7 Ų149.788%0.87981%0.805SS**  trans-51.2115.8176.8-67177.8155.800109.4M1 K5M1-E3 PolarHBondContact O-N 3.36Å; E3-K5 VanDerWaalsContact C-N 3.33Å; E3-K5 PolarHBondContact O-N 3.02Å
4K52.7Low56.8Low203 Ų203152.3 Ų152.388%0.88380%0.798SS**  trans-66.299.5169.2-155.4-179.7-171.4-1770105.3T2 A6T2-K4 PolarHBondContact O-N 2.65Å; T2-K4 VanDerWaalsContact O-N 3.11Å; K4-A6 PolarHBondContact O-N 3.08Å
5K44.3Very low58.8Low198 Ų198146.1 Ų146.186%0.86177%0.766SS**  trans-47.6118170.7-105.6-178.2174.3179.80107.3E3 D7E3-K5 VanDerWaalsContact C-N 3.33Å; E3-K5 PolarHBondContact O-N 3.02Å; K5-D7 PolarHBondContact O-N 3.09Å
6A51.3Low60.7Low88 Ų88147.3 Ų147.373%0.72776%0.757SS**  trans-58.6121.6171.400000107.3K4 V8K4-A6 PolarHBondContact O-N 3.08Å; A6-V8 PolarHBondContact O-N 2.81Å
7D55.8Low62.4Low140 Ų140138.8 Ų138.875%0.74971%0.714SS**  trans-60.8108.5173.5-140.8-94.7000106.5K5 P9K5-D7 PolarHBondContact O-N 3.09Å; D7-P9 WeakPolarHBondContact O-CD 3.26Å
8V59Low64.1Low112 Ų112138.1 Ų138.168%0.67970%0.7SS**  trans-58.7121.8170.9178.80000105.2A6 Q10A6-V8 PolarHBondContact O-N 2.81Å; V8-Q10 VanDerWaalsContact C-N 3.3Å; V8-Q10 PolarHBondContact O-N 3.29Å
9P55.7Low65.5Low116 Ų116131.2 Ų131.275%0.75367%0.666SS**  trans-64.297.9-179.325.1-31.8000107.3D7 L11D7-P9 WeakPolarHBondContact O-CD 3.26Å; P9-L11 PolarHBondContact O-N 3.28Å; P9-L11 VanDerWaalsContact O-N 3.09Å
10Q57.4Low66.8Low162 Ų162125.4 Ų125.476%0.75764%0.637SS**  trans-59121.4180-63.9-17928.200106.4V8 S12V8-Q10 VanDerWaalsContact C-N 3.3Å; V8-Q10 PolarHBondContact O-N 3.29Å; Q10-S12 PolarHBondContact O-N 2.95Å
11L55.1Low68.1Low159 Ų159119.5 Ų119.583%0.83261%0.608SS**  trans-44.4118.1173.7-129.391.4000107.3P9 T13P9-L11 PolarHBondContact O-N 3.28Å; P9-L11 VanDerWaalsContact O-N 3.09Å; L11-T13 PolarHBondContact O-N 2.99Å; L11-T13 PolarHBondContact O-OG1 3.04Å; L11-T13 VanDerWaalsContact O-OG1 3.08Å
12S64.8Low70.4Confident97 Ų97109.9 Ų109.968%0.67856%0.562SS**  trans-64.679.8-166.849.70000111.6Q10 R14Q10-S12 PolarHBondContact O-N 2.95Å; S12-R14 PolarHBondContact O-N 2.87Å
13T76.2Confident72.4Confident95 Ų95103.2 Ų103.258%0.58352%0.522SS*.  trans-74124179.9-53.70000107L11 N15L11-T13 PolarHBondContact O-N 2.99Å; L11-T13 PolarHBondContact O-OG1 3.04Å; L11-T13 VanDerWaalsContact O-OG1 3.08Å; T13-N15 VanDerWaalsContact CG2-OD1 3.26Å; T13-N15 WeakPolarHBondContact CG2-OD1 3.43Å; T13-N15 PolarHBondContact O-N 3.44Å; T13-N15 PolarHBondContact O-OD1 2.79Å
14R80.1Confident74.7Confident186 Ų18696.5 Ų96.570%0.70250%0.499SS*.  trans-76.7108.6175.7-70.1-179.2179.5159.2-1.2108S12 L89S12-R14 PolarHBondContact O-N 2.87Å; R14-L89 HydrophobicContact CB-CD1 4.02Å; R14-L89 HydrophobicContact CB-CG 4.11Å
15N86.4Confident76.6Confident60 Ų6090.2 Ų90.232%0.32148%0.48SS..EExtended strand (participates in β ladder)trans-102.4149.7-179.9-68.25000110T13 S90 V113T13-N15 VanDerWaalsContact CG2-OD1 3.26Å; T13-N15 WeakPolarHBondContact CG2-OD1 3.43Å; T13-N15 PolarHBondContact O-N 3.44Å; T13-N15 PolarHBondContact O-OD1 2.79Å; N15-S90 PolarHBondContact N-O 3.41Å; N15-S90 PolarHBondContact O-N 3.04Å; N15-V113 HydrophobicContact CB-CG1 3.83Å
16W89.1Confident79Confident164 Ų16483.7 Ų83.762%0.62146%0.457SS*.EExtended strand (participates in β ladder)trans-73132.3166.2-77.9-49.9000109.5L88 L89 A114W16-L88 CarbonylContact C-O 3.58Å; W16-L88 WeakPolarHBondContact CA-O 3.44Å; W16-L89 HydrophobicContact CG-CD1 4.29Å; W16-A114 HydrophobicContact CB-CB 4.03Å; W16-A114 VanDerWaalsContact O-CB 3.29Å; W16-A114 WeakPolarHBondContact O-CB 3.31Å; W16-A114 PolarHBondContact O-N 2.74Å
17V90.3Very high80.9Confident3 Ų387.9 Ų87.92%0.01846%0.459CS..EExtended strand (participates in β ladder)trans-122.7127.2177.7-178.80000107.7V19 D87 L88 T95 V111 K112 V113V17-V19 HydrophobicContact CG1-CG2 4.48Å; V17-D87 CarbonylContact O-C 3.57Å; V17-D87 WeakPolarHBondContact O-CA 3.45Å; V17-L88 PolarHBondContact N-O 2.98Å; V17-L88 PolarHBondContact O-N 3.35Å; V17-T95 HydrophobicContact CG1-CG2 3.84Å; V17-T95 HydrophobicContact CG2-CG2 4.07Å; V17-V111 HydrophobicContact CG1-CG1 3.48Å; V17-V111 VanDerWaalsContact CG1-CG1 3.48Å; V17-K112 CarbonylContact C-O 3.57Å; V17-K112 WeakPolarHBondContact CA-O 3.43Å; V17-V113 HydrophobicContact CG2-CG1 4.49Å; V17-V113 HydrophobicContact CG2-CG2 4.25Å
18R91.5Very high82.7Confident126 Ų12682.3 Ų82.348%0.47543%0.43SS..EExtended strand (participates in β ladder)trans-104.5115.5175.9176.5163.9-71.8165.70.8109.4V85 D87 K112R18-V85 HydrophobicContact CG-CG1 3.62Å; R18-D87 WeakPolarHBondContact CB-OD1 3.18Å; R18-D87 VanDerWaalsContact CG-OD1 3.31Å; R18-D87 WeakPolarHBondContact CG-OD1 3.22Å; R18-D87 IonicContact CZ-OD1 3.53Å; R18-D87 IonicContact CZ-OD2 3.72Å; R18-D87 IonicContact NE-OD1 2.74Å; R18-D87 PolarHBondContact NE-OD1 3.03Å; R18-D87 IonicContact NE-OD2 3.69Å; R18-D87 IonicContact NH2-OD1 3.44Å; R18-D87 PolarHBondContact NH2-OD1 3.25Å; R18-D87 IonicContact NH2-OD2 2.87Å; R18-D87 PolarHBondContact NH2-OD2 3.48Å; R18-K112 PolarHBondContact N-O 2.79Å; R18-K112 PolarHBondContact O-N 2.78Å
19V91.2Very high84.3Confident8 Ų877 Ų775%0.04840%0.398CS..EExtended strand (participates in β ladder)trans-96.4121.3171.6-174.30000108.8V17 L21 L36 V85 I86 L88 D110 V111V17-V19 HydrophobicContact CG1-CG2 4.48Å; V19-L21 HydrophobicContact CG1-CD2 4.02Å; V19-L21 HydrophobicContact CG1-CG 4.41Å; V19-L36 HydrophobicContact CB-CD2 4.09Å; V19-L36 HydrophobicContact CG1-CD2 3.75Å; V19-L36 HydrophobicContact CG2-CD2 4.26Å; V19-V85 CarbonylContact O-C 3.53Å; V19-V85 WeakPolarHBondContact O-CA 3.38Å; V19-I86 HydrophobicContact CB-CB 4.49Å; V19-I86 PolarHBondContact N-O 2.92Å; V19-I86 PolarHBondContact O-N 3.4Å; V19-L88 HydrophobicContact CG2-CD1 4.22Å; V19-D110 CarbonylContact C-O 3.56Å; V19-D110 WeakPolarHBondContact CA-O 2.93Å; V19-V111 HydrophobicContact CG1-CG2 4.3Å; V19-V111 HydrophobicContact CG2-CG1 4.45Å; V19-V111 HydrophobicContact CG2-CG2 4.24Å
20T92.4Very high86.1Confident15 Ų1573.1 Ų73.19%0.09237%0.37CS..EExtended strand (participates in β ladder)trans-108.6119.3176.1-66.70000109.4T22 K83 D110T20-T22 HydrophobicContact CG2-CG2 4.16Å; T20-K83 HydrophobicContact CG2-CD 4.29Å; T20-K83 HydrophobicContact CG2-CG 4.19Å; T20-D110 PolarHBondContact N-O 2.77Å; T20-D110 PolarHBondContact O-N 3.1Å
21L92.8Very high87.7Confident2 Ų272.2 Ų72.21%0.0136%0.363CS..EExtended strand (participates in β ladder)trans-105.1132174.4-53.1175.6000109.3V19 L29 V32 T33 K83 R84 N108 C109V19-L21 HydrophobicContact CG1-CD2 4.02Å; V19-L21 HydrophobicContact CG1-CG 4.41Å; L21-L29 HydrophobicContact CB-CD1 3.55Å; L21-V32 HydrophobicContact CD1-CG1 4.06Å; L21-V32 HydrophobicContact CD2-CG1 4.23Å; L21-T33 WeakPolarHBondContact CD1-OG1 3.47Å; L21-K83 CarbonylContact O-C 3.57Å; L21-K83 WeakPolarHBondContact O-CA 3.46Å; L21-R84 HydrophobicContact CB-CB 4.27Å; L21-R84 PolarHBondContact N-O 2.83Å; L21-R84 PolarHBondContact O-N 3.35Å; L21-N108 WeakPolarHBondContact CA-O 3.37Å; L21-C109 HydrophobicContact CD2-CB 4Å; L21-C109 WeakPolarHBondContact CD2-SG 3.3Å
22T93.7Very high89.5Confident38 Ų3864.9 Ų64.923%0.23333%0.325CS..EExtended strand (participates in β ladder)trans-132.4133.7176.152.50000110.8T20 H82 K83 N108T20-T22 HydrophobicContact CG2-CG2 4.16Å; T22-H82 WeakPolarHBondContact CA-O 3.43Å; T22-K83 HydrophobicContact CG2-CB 4.11Å; T22-K83 HydrophobicContact CG2-CD 4.4Å; T22-K83 HydrophobicContact CG2-CG 3.94Å; T22-N108 PolarHBondContact N-O 3.03Å; T22-N108 PolarHBondContact O-N 2.75Å; T22-N108 WeakPolarHBondContact OG1-CB 3.24Å; T22-N108 PolarHBondContact OG1-O 2.73Å
23A94.6Very high90.8Very high7 Ų760.3 Ų60.36%0.05829%0.293CS..EExtended strand (participates in β ladder)trans-152.5157.4177.200000111.6L29 H82 V107A23-L29 HydrophobicContact CB-CB 3.94Å; A23-L29 HydrophobicContact CB-CD1 4.03Å; A23-L29 HydrophobicContact CB-CD2 4.23Å; A23-L29 HydrophobicContact CB-CG 4.3Å; A23-H82 PolarHBondContact N-O 2.73Å; A23-H82 PolarHBondContact O-N 3.19Å; A23-V107 HydrophobicContact CB-CB 4.49Å; A23-V107 HydrophobicContact CB-CG2 4.06Å
24A94.2Very high91.5Very high47 Ų4759.7 Ų59.739%0.38829%0.286SS..SBendtrans-77.4-31.217100000112.4F79 R80 H82A24-F79 HydrophobicContact CB-CE2 3.71Å; A24-F79 HydrophobicContact CB-CZ 3.74Å; A24-R80 WeakPolarHBondContact CA-O 3.41Å; A24-H82 PolarHBondContact O-CD2 2.89Å; A24-H82 VanDerWaalsContact O-CD2 3.31Å
25S93.1Very high92Very high71 Ų7151.6 Ų51.650%0.49726%0.261SS..  trans-109.7131.8-175.2-66.90000111.4L29S25-L29 WeakPolarHBondContact O-CB 3.32Å
26V93.5Very high92.2Very high61 Ų6149 Ų4937%0.3725%0.247SC..Hα-helixtrans-71.4-39.2-177.2-176.90000112.6L29 E30 H82V26-L29 WeakPolarHBondContact O-CB 3.29Å; V26-L29 PolarHBondContact O-N 3.01Å; V26-E30 HydrophobicContact CG1-CG 3.75Å; V26-E30 WeakPolarHBondContact O-CG 3.4Å; V26-E30 PolarHBondContact O-N 2.95Å; V26-H82 WeakPolarHBondContact CG2-NE2 3.38Å
27K93Very high92.3Very high176 Ų17642.2 Ų42.277%0.76522%0.223SC*.Hα-helixtrans-57.3-55-176.1-67.4-177.2179.4-178.30113.7L29 K31K27-L29 VanDerWaalsContact C-N 3.3Å; K27-L29 PolarHBondContact O-N 3.43Å; K27-K31 WeakPolarHBondContact O-CG 3.5Å; K27-K31 PolarHBondContact O-N 3.33Å
28P92.3Very high92.3Very high23 Ų2348.6 Ų48.615%0.14925%0.25CS..Hα-helixtrans-64.9-35.617725.1-33.9000111.9K31 V32 E104 V107P28-K31 PolarHBondContact O-N 3.01Å; P28-V32 WeakPolarHBondContact O-CG2 3.43Å; P28-V32 PolarHBondContact O-N 3.41Å; P28-E104 HydrophobicContact CB-CG 3.58Å; P28-V107 HydrophobicContact CB-CG2 3.91Å; P28-V107 HydrophobicContact CG-CG2 4.38Å
29L93Very high92.2Very high0 Ų046.4 Ų46.40%024%0.244CC..Hα-helixtrans-62.2-47.1179.3-175.662.8000112.9L21 A23 S25 V26 K27 V32 T33 H82 R84 V107L21-L29 HydrophobicContact CB-CD1 3.55Å; A23-L29 HydrophobicContact CB-CB 3.94Å; A23-L29 HydrophobicContact CB-CD1 4.03Å; A23-L29 HydrophobicContact CB-CD2 4.23Å; A23-L29 HydrophobicContact CB-CG 4.3Å; S25-L29 WeakPolarHBondContact O-CB 3.32Å; V26-L29 WeakPolarHBondContact O-CB 3.29Å; V26-L29 PolarHBondContact O-N 3.01Å; K27-L29 VanDerWaalsContact C-N 3.3Å; K27-L29 PolarHBondContact O-N 3.43Å; L29-V32 PolarHBondContact O-N 3.48Å; L29-T33 WeakPolarHBondContact O-CB 3.43Å; L29-T33 PolarHBondContact O-N 3.22Å; L29-T33 PolarHBondContact O-OG1 3.1Å; L29-H82 HydrophobicContact CD2-CB 3.44Å; L29-H82 VanDerWaalsContact CD2-CB 3.44Å; L29-R84 HydrophobicContact CD1-CG 4.26Å; L29-R84 HydrophobicContact CD2-CG 3.88Å; L29-R84 HydrophobicContact CG-CG 3.94Å; L29-V107 HydrophobicContact CD1-CG1 4Å
30E92.9Very high92Very high35 Ų3546.1 Ų46.116%0.16424%0.242CC..Hα-helixtrans-67.7-38178.8-61.4-73.214300110.6V26 V32 T33 D34 R52 R84V26-E30 HydrophobicContact CG1-CG 3.75Å; V26-E30 WeakPolarHBondContact O-CG 3.4Å; V26-E30 PolarHBondContact O-N 2.95Å; E30-V32 PolarHBondContact O-N 3.42Å; E30-T33 PolarHBondContact O-N 3.33Å; E30-D34 WeakPolarHBondContact O-CB 3.27Å; E30-D34 VanDerWaalsContact O-CG 3.27Å; E30-D34 PolarHBondContact O-N 3.02Å; E30-R52 IonicContact OE1-NE 3.69Å; E30-R52 IonicContact OE1-NH2 3.92Å; E30-R52 IonicContact OE2-CZ 3.81Å; E30-R52 IonicContact OE2-NE 3.87Å; E30-R52 IonicContact OE2-NH2 2.87Å; E30-R52 PolarHBondContact OE2-NH2 2.99Å; E30-R84 IonicContact OE1-CZ 2.73Å; E30-R84 VanDerWaalsContact OE1-CZ 3.24Å; E30-R84 IonicContact OE1-NE 3.91Å; E30-R84 PolarHBondContact OE1-NE 3.24Å; E30-R84 IonicContact OE1-NH2 2.89Å; E30-R84 PolarHBondContact OE1-NH2 2.88Å
31K92.1Very high91.9Very high144 Ų14452 Ų5263%0.62627%0.266SS*.Hα-helixtrans-57-46.6173.4-73.4179.5178.5-174.50112.6K27 P28 G35K27-K31 WeakPolarHBondContact O-CG 3.5Å; K27-K31 PolarHBondContact O-N 3.33Å; P28-K31 PolarHBondContact O-N 3.01Å; K31-G35 PolarHBondContact O-N 2.98Å
32V91.6Very high91.7Very high5 Ų557.8 Ų57.83%0.0330%0.298CS..Hα-helixtrans-66.9-42.9177.8174.40000110.9L21 P28 L29 E30 G35 L36 Y102 E104 V107L21-V32 HydrophobicContact CD1-CG1 4.06Å; L21-V32 HydrophobicContact CD2-CG1 4.23Å; P28-V32 WeakPolarHBondContact O-CG2 3.43Å; P28-V32 PolarHBondContact O-N 3.41Å; L29-V32 PolarHBondContact O-N 3.48Å; E30-V32 PolarHBondContact O-N 3.42Å; V32-G35 PolarHBondContact O-N 2.85Å; V32-L36 WeakPolarHBondContact O-CB 3.32Å; V32-L36 PolarHBondContact O-N 3.39Å; V32-Y102 HydrophobicContact CG1-CD1 4.01Å; V32-Y102 HydrophobicContact CG1-CG 3.9Å; V32-Y102 HydrophobicContact CG2-CD1 4.42Å; V32-E104 HydrophobicContact CG2-CB 3.5Å; V32-E104 VanDerWaalsContact CG2-CB 3.5Å; V32-E104 HydrophobicContact CG2-CG 4.13Å; V32-V107 HydrophobicContact CG1-CG1 4.44Å; V32-V107 HydrophobicContact CG2-CB 4.5Å; V32-V107 HydrophobicContact CG2-CG1 4.43Å; V32-V107 HydrophobicContact CG2-CG2 4.25Å
33T92.5Very high91.4Very high0 Ų059.5 Ų59.50%030%0.303CS..Hα-helixtrans-59.5-49.2178.4-56.10000111L21 L29 E30 L36 I37 P50 I86L21-T33 WeakPolarHBondContact CD1-OG1 3.47Å; L29-T33 WeakPolarHBondContact O-CB 3.43Å; L29-T33 PolarHBondContact O-N 3.22Å; L29-T33 PolarHBondContact O-OG1 3.1Å; E30-T33 PolarHBondContact O-N 3.33Å; T33-L36 PolarHBondContact O-N 3.42Å; T33-I37 HydrophobicContact CG2-CD1 4.07Å; T33-I37 WeakPolarHBondContact O-CD1 3.46Å; T33-I37 VanDerWaalsContact O-CG1 3.3Å; T33-I37 WeakPolarHBondContact O-CG1 3.27Å; T33-I37 PolarHBondContact O-N 2.89Å; T33-I37 VanDerWaalsContact O-N 3.11Å; T33-P50 HydrophobicContact CG2-CB 3.46Å; T33-P50 VanDerWaalsContact CG2-CB 3.46Å; T33-P50 HydrophobicContact CG2-CG 4.18Å; T33-I86 HydrophobicContact CG2-CD1 3.87Å
34D92.2Very high91Very high82 Ų8266.1 Ų66.144%0.43934%0.337SS..Hα-helixtrans-65.9-40.3179-70.4-23.8000111.7E30 I37 K38E30-D34 WeakPolarHBondContact O-CB 3.27Å; E30-D34 VanDerWaalsContact O-CG 3.27Å; E30-D34 PolarHBondContact O-N 3.02Å; D34-I37 PolarHBondContact O-N 3Å; D34-K38 WeakPolarHBondContact O-CG 3.35Å; D34-K38 PolarHBondContact O-N 2.79Å
35G90.2Very high90.6Very high17 Ų1765.4 Ų65.418%0.17533%0.327CS..Hα-helixtrans-58.1-49173.800000111.8K31 V32 I37 K38 K39 Y102K31-G35 PolarHBondContact O-N 2.98Å; V32-G35 PolarHBondContact O-N 2.85Å; G35-I37 VanDerWaalsContact C-N 3.32Å; G35-I37 PolarHBondContact O-N 2.78Å; G35-K38 PolarHBondContact O-N 3.08Å; G35-K39 PolarHBondContact O-N 3.48Å; G35-Y102 WeakPolarHBondContact CA-OH 3.35Å; G35-Y102 PolarHBondContact O-OH 3.49Å
36L89.8Confident90.4Very high6 Ų671.1 Ų71.13%0.03134%0.337CS..Hα-helixtrans-62.4-41.5-177.9-169.869.6000111.5V19 V32 T33 K39 A40 I86 L98 Y102V19-L36 HydrophobicContact CB-CD2 4.09Å; V19-L36 HydrophobicContact CG1-CD2 3.75Å; V19-L36 HydrophobicContact CG2-CD2 4.26Å; V32-L36 WeakPolarHBondContact O-CB 3.32Å; V32-L36 PolarHBondContact O-N 3.39Å; T33-L36 PolarHBondContact O-N 3.42Å; L36-K39 PolarHBondContact O-N 3.04Å; L36-A40 VanDerWaalsContact O-CB 3.32Å; L36-A40 WeakPolarHBondContact O-CB 3.32Å; L36-A40 PolarHBondContact O-N 3.07Å; L36-I86 HydrophobicContact CB-CD1 4.36Å; L36-I86 HydrophobicContact CD2-CD1 3.73Å; L36-I86 HydrophobicContact CG-CD1 4.43Å; L36-L98 HydrophobicContact CD1-CB 4.5Å; L36-L98 HydrophobicContact CD1-CD2 3.65Å; L36-Y102 HydrophobicContact CB-CE2 4.11Å; L36-Y102 HydrophobicContact CD1-CD2 4.04Å; L36-Y102 HydrophobicContact CD1-CE2 3.67Å; L36-Y102 PolarHBondContact N-OH 2.8Å
37I90.8Very high90.2Very high21 Ų2170.1 Ų70.111%0.10833%0.332CS..Hα-helixtrans-65.2-42.5177.7-66.6159.5000111.2T33 D34 G35 A40 K41 P50 I86T33-I37 HydrophobicContact CG2-CD1 4.07Å; T33-I37 WeakPolarHBondContact O-CD1 3.46Å; T33-I37 VanDerWaalsContact O-CG1 3.3Å; T33-I37 WeakPolarHBondContact O-CG1 3.27Å; T33-I37 PolarHBondContact O-N 2.89Å; T33-I37 VanDerWaalsContact O-N 3.11Å; D34-I37 PolarHBondContact O-N 3Å; G35-I37 VanDerWaalsContact C-N 3.32Å; G35-I37 PolarHBondContact O-N 2.78Å; I37-A40 PolarHBondContact O-N 2.78Å; I37-K41 HydrophobicContact CG2-CD 4.19Å; I37-K41 VanDerWaalsContact O-CG 3.32Å; I37-K41 WeakPolarHBondContact O-CG 3.3Å; I37-K41 PolarHBondContact O-N 3.22Å; I37-P50 HydrophobicContact CD1-CB 3.98Å; I37-P50 VanDerWaalsContact CD1-CD 3.49Å; I37-P50 HydrophobicContact CD1-CG 3.54Å; I37-I86 HydrophobicContact CD1-CD1 4.34Å; I37-I86 HydrophobicContact CG1-CD1 4Å
38K90.9Very high90.1Very high137 Ų13767.9 Ų67.960%0.59632%0.322SS*.Hα-helixtrans-60.1-50.1177.3-74.9174.5-179.7-1780110.8D34 G35 A40 K41 D42D34-K38 WeakPolarHBondContact O-CG 3.35Å; D34-K38 PolarHBondContact O-N 2.79Å; G35-K38 PolarHBondContact O-N 3.08Å; K38-A40 PolarHBondContact O-N 3.37Å; K38-K41 WeakPolarHBondContact O-CA 3.34Å; K38-K41 WeakPolarHBondContact O-CB 3.37Å; K38-K41 PolarHBondContact O-N 3.03Å; K38-K41 VanDerWaalsContact O-N 3.09Å; K38-D42 PolarHBondContact O-N 3.46Å
39K88.6Confident89.8Confident80 Ų8068.8 Ų68.835%0.34834%0.336SS..Hα-helixtrans-63.2-40.5179.3-67.5-168.4-176.7-172.10113.3G35 L36 K41 D42 Q43 I101 Y102G35-K39 PolarHBondContact O-N 3.48Å; L36-K39 PolarHBondContact O-N 3.04Å; K39-K41 VanDerWaalsContact C-N 3.26Å; K39-K41 PolarHBondContact O-N 3.03Å; K39-D42 PolarHBondContact O-N 3.02Å; K39-Q43 WeakPolarHBondContact O-CG 3.47Å; K39-Q43 PolarHBondContact O-N 3.4Å; K39-I101 HydrophobicContact CD-CD1 3.91Å; K39-I101 HydrophobicContact CD-CG2 3.77Å; K39-Y102 HydrophobicContact CD-CE2 4.44Å; K39-Y102 WeakPolarHBondContact CD-OH 3.42Å; K39-Y102 WeakPolarHBondContact CE-OH 3.35Å
40A88.8Confident89.7Confident1 Ų171.1 Ų71.11%0.00835%0.351CS..Hα-helixtrans-63.4-35.4175.900000111.9L36 I37 K38 N44 L45 V47 L88L36-A40 VanDerWaalsContact O-CB 3.32Å; L36-A40 WeakPolarHBondContact O-CB 3.32Å; L36-A40 PolarHBondContact O-N 3.07Å; I37-A40 PolarHBondContact O-N 2.78Å; K38-A40 PolarHBondContact O-N 3.37Å; A40-N44 PolarHBondContact O-N 3.26Å; A40-L45 HydrophobicContact CB-CB 4.49Å; A40-L45 HydrophobicContact CB-CD1 4.47Å; A40-L45 WeakPolarHBondContact O-CB 3.39Å; A40-L45 PolarHBondContact O-N 3.43Å; A40-V47 HydrophobicContact CB-CG2 3.53Å; A40-L88 HydrophobicContact CB-CD2 3.95Å
41K88.8Confident89.9Confident138 Ų13873.2 Ų73.260%0.637%0.366SS*.Hα-helixtrans-69.5-41.5172.6-73.3176.4177.3-174.70112.3I37 K38 K39 Q43 N44I37-K41 HydrophobicContact CG2-CD 4.19Å; I37-K41 VanDerWaalsContact O-CG 3.32Å; I37-K41 WeakPolarHBondContact O-CG 3.3Å; I37-K41 PolarHBondContact O-N 3.22Å; K38-K41 WeakPolarHBondContact O-CA 3.34Å; K38-K41 WeakPolarHBondContact O-CB 3.37Å; K38-K41 PolarHBondContact O-N 3.03Å; K38-K41 VanDerWaalsContact O-N 3.09Å; K39-K41 VanDerWaalsContact C-N 3.26Å; K39-K41 PolarHBondContact O-N 3.03Å; K41-Q43 PolarHBondContact O-N 3.09Å; K41-N44 PolarHBondContact O-N 2.87Å
42D89.5Confident90Very high125 Ų12574 Ų7467%0.66836%0.364SS*.Hα-helixtrans-60.8-35177.3-60.6-28.8000111.6K38 K39 N44K38-D42 PolarHBondContact O-N 3.46Å; K39-D42 PolarHBondContact O-N 3.02Å; D42-N44 VanDerWaalsContact C-N 3.26Å; D42-N44 PolarHBondContact O-N 3.11Å
43Q86.8Confident90.2Very high73 Ų7377.5 Ų77.534%0.34138%0.382SS..THydrogen-bonded Turntrans-81.83.4174.6-67.5-174.9-24.200114.1K39 K41 L45K39-Q43 WeakPolarHBondContact O-CG 3.47Å; K39-Q43 PolarHBondContact O-N 3.4Å; K41-Q43 PolarHBondContact O-N 3.09Å; Q43-L45 HydrophobicContact CB-CD1 4.29Å; Q43-L45 HydrophobicContact CB-CG 4.06Å; Q43-L45 PolarHBondContact O-N 3.34Å
44N85.6Confident90.4Very high146 Ų14682.6 Ų82.678%0.78142%0.415SS*.THydrogen-bonded Turntrans56.431.7-176.3-60.5-65.3000114.4A40 K41 D42A40-N44 PolarHBondContact O-N 3.26Å; K41-N44 PolarHBondContact O-N 2.87Å; D42-N44 VanDerWaalsContact C-N 3.26Å; D42-N44 PolarHBondContact O-N 3.11Å
45L86Confident90.6Very high32 Ų3281.2 Ų81.217%0.16841%0.409CS..  trans-77.8147174.4-62.1173.9000110.7A40 Q43 V47 A94 L98A40-L45 HydrophobicContact CB-CB 4.49Å; A40-L45 HydrophobicContact CB-CD1 4.47Å; A40-L45 WeakPolarHBondContact O-CB 3.39Å; A40-L45 PolarHBondContact O-N 3.43Å; Q43-L45 HydrophobicContact CB-CD1 4.29Å; Q43-L45 HydrophobicContact CB-CG 4.06Å; Q43-L45 PolarHBondContact O-N 3.34Å; L45-V47 PolarHBondContact O-N 2.9Å; L45-A94 HydrophobicContact CD1-CB 4.45Å; L45-A94 HydrophobicContact CD2-CB 4.48Å; L45-L98 HydrophobicContact CD1-CD1 4.06Å
46R88.8Confident90.8Very high191 Ų19187.6 Ų87.672%0.72143%0.432SS*.EExtended strand (participates in β ladder)trans-78113172.4-67.3177.267.4-163.24.7109.2L89R46-L89 HydrophobicContact CB-CB 4.18Å; R46-L89 PolarHBondContact O-N 2.92Å
47V90.8Very high91.2Very high41 Ų4190 Ų9025%0.24845%0.447CS..EExtended strand (participates in β ladder)trans-106.3127.5-178-172.40000110.3A40 L45 I86 L88A40-V47 HydrophobicContact CB-CG2 3.53Å; L45-V47 PolarHBondContact O-N 2.9Å; V47-I86 HydrophobicContact CG1-CG2 3.96Å; V47-L88 HydrophobicContact CB-CD2 3.97Å; V47-L88 HydrophobicContact CG1-CD2 3.75Å; V47-L88 HydrophobicContact CG2-CD2 3.58Å
48K91Very high91.4Very high129 Ų12993.5 Ų93.556%0.56147%0.466SS*.EExtended strand (participates in β ladder)trans-87.7124155.8-65.8-178177.4176.80106.9D87K48-D87 HydrophobicContact CB-CB 4.08Å; K48-D87 HydrophobicContact CD-CB 4.22Å; K48-D87 PolarHBondContact N-O 3.3Å
49G84.7Confident91.7Very high42 Ų4295.4 Ų95.443%0.43347%0.469SS..EExtended strand (participates in β ladder)trans-55.8173.3-169.600000114.4V51G49-V51 PolarHBondContact O-N 3.49Å
50P92.4Very high92Very high49 Ų4996.9 Ų96.932%0.31848%0.479SS..EExtended strand (participates in β ladder)trans-68.2107.2-17529.3-32.7000109.9T33 I37 R52 I86T33-P50 HydrophobicContact CG2-CB 3.46Å; T33-P50 VanDerWaalsContact CG2-CB 3.46Å; T33-P50 HydrophobicContact CG2-CG 4.18Å; I37-P50 HydrophobicContact CD1-CB 3.98Å; I37-P50 VanDerWaalsContact CD1-CD 3.49Å; I37-P50 HydrophobicContact CD1-CG 3.54Å; P50-R52 PolarHBondContact O-N 2.96Å; P50-I86 HydrophobicContact CB-CG1 4.16Å
51V95.6Very high92.3Very high79 Ų79100.9 Ų100.948%0.47950%0.504SS..EExtended strand (participates in β ladder)trans-78.5115.3173.2-177.80000107.8G49 M53 R84 V85G49-V51 PolarHBondContact O-N 3.49Å; V51-M53 HydrophobicContact CG1-SD 4.33Å; V51-M53 PolarHBondContact O-N 2.66Å; V51-R84 WeakPolarHBondContact O-CA 3.45Å; V51-V85 HydrophobicContact CB-CB 4.49Å; V51-V85 PolarHBondContact N-O 3.23Å; V51-V85 PolarHBondContact O-N 3.05Å
52R95.8Very high92.4Very high159 Ų15997 Ų9760%0.649%0.492SS*.EExtended strand (participates in β ladder)trans-76.9103.7173.8-65.4-162.6169.4118.70.1108.9E30 P50 R84E30-R52 IonicContact OE1-NE 3.69Å; E30-R52 IonicContact OE1-NH2 3.92Å; E30-R52 IonicContact OE2-CZ 3.81Å; E30-R52 IonicContact OE2-NE 3.87Å; E30-R52 IonicContact OE2-NH2 2.87Å; E30-R52 PolarHBondContact OE2-NH2 2.99Å; P50-R52 PolarHBondContact O-N 2.96Å; R52-R84 VanDerWaalsContact CD-CZ 3.47Å; R52-R84 VanDerWaalsContact CG-CZ 3.44Å
53M95.5Very high92.5Very high79 Ų7995 Ų9539%0.38948%0.475SS..EExtended strand (participates in β ladder)trans-73.4150.6172.6-67.2-61.9-72.300110.1V51 T55 K83 V85V51-M53 HydrophobicContact CG1-SD 4.33Å; V51-M53 PolarHBondContact O-N 2.66Å; M53-T55 PolarHBondContact O-N 3.34Å; M53-K83 HydrophobicContact CB-CB 3.92Å; M53-K83 HydrophobicContact CB-CD 4.21Å; M53-K83 HydrophobicContact CB-CG 4.02Å; M53-K83 HydrophobicContact CG-CD 4.15Å; M53-K83 HydrophobicContact CG-CG 4.1Å; M53-K83 PolarHBondContact N-O 3.1Å; M53-K83 VanDerWaalsContact N-O 3.1Å; M53-V85 HydrophobicContact CG-CG2 3.84Å
54P96.8Very high92.6Very high107 Ų10797.3 Ų97.370%0.69548%0.484SS*.EExtended strand (participates in β ladder)trans-52.1134.7174.2-26.935000111.2K56P54-K56 PolarHBondContact O-N 3.43Å
55T95.8Very high92.7Very high54 Ų5491.9 Ų91.933%0.33146%0.456SS..EExtended strand (participates in β ladder)trans-71.4119.1178.6-61.20000108.6M53 V57 R80 I81 H82M53-T55 PolarHBondContact O-N 3.34Å; T55-V57 PolarHBondContact O-N 3.39Å; T55-R80 HydrophobicContact CG2-CB 3.88Å; T55-R80 HydrophobicContact CG2-CG 4.41Å; T55-I81 WeakPolarHBondContact CA-O 3.29Å; T55-I81 WeakPolarHBondContact CG2-O 3.42Å; T55-H82 VanDerWaalsContact CG2-CE1 3.46Å; T55-H82 WeakPolarHBondContact CG2-CE1 3.2Å; T55-H82 WeakPolarHBondContact CG2-ND1 3.21Å; T55-H82 PolarHBondContact OG1-ND1 3.26Å
56K95.2Very high92.7Very high150 Ų15096.8 Ų96.865%0.65249%0.49SS*.EExtended strand (participates in β ladder)trans-77.4125.4174.1-65.6-173.7177.4-173.30108.3P54 I81P54-K56 PolarHBondContact O-N 3.43Å; K56-I81 HydrophobicContact CB-CB 4.36Å; K56-I81 PolarHBondContact N-O 3.27Å; K56-I81 VanDerWaalsContact N-O 3.1Å; K56-I81 PolarHBondContact O-N 3.11Å
57V96.5Very high92.2Very high56 Ų5692.2 Ų92.234%0.33949%0.487SS..EExtended strand (participates in β ladder)trans-107.6107.7178.4-171.70000108.3T55 R59 Q78 R80T55-V57 PolarHBondContact O-N 3.39Å; V57-R59 HydrophobicContact CG1-CG 3.89Å; V57-Q78 HydrophobicContact CG1-CB 4.41Å; V57-R80 HydrophobicContact CG1-CG 4.39Å; V57-R80 HydrophobicContact CG2-CG 4.3Å
58L96Very high91.4Very high96 Ų9692 Ų9250%0.50349%0.493SS..EExtended strand (participates in β ladder)trans-79.8128.9168.2-54.8-178.5000107.8Q78 F79 I81L58-Q78 WeakPolarHBondContact O-CA 3.39Å; L58-F79 HydrophobicContact CB-CB 4.24Å; L58-F79 HydrophobicContact CD1-CD1 4.03Å; L58-F79 PolarHBondContact N-O 3.1Å; L58-F79 PolarHBondContact O-N 2.94Å; L58-I81 HydrophobicContact CD1-CD1 4.02Å; L58-I81 HydrophobicContact CG-CD1 4.32Å
59R96.7Very high90.8Very high176 Ų17693.3 Ų93.366%0.66450%0.501SS*.EExtended strand (participates in β ladder)trans-123.1127.1-179.5-62.6-176.1173.2167.8-1.4108.6V57 F77 Q78V57-R59 HydrophobicContact CG1-CG 3.89Å; R59-F77 WeakPolarHBondContact CA-O 3.34Å; R59-Q78 HydrophobicContact CG-CG 4.35Å
60I95.9Very high90.4Very high111 Ų11194 Ų9457%0.56951%0.507SS*.EExtended strand (participates in β ladder)trans-118.7121.9169.5-61.7175.7000106.2T62 F77I60-T62 HydrophobicContact CG2-CG2 4.06Å; I60-F77 HydrophobicContact CB-CB 4.43Å; I60-F77 PolarHBondContact N-O 3.2Å; I60-F77 PolarHBondContact O-N 3.29Å
61T94.3Very high89.9Confident85 Ų8595.2 Ų95.252%0.52152%0.518SS..EExtended strand (participates in β ladder)trans-115118.7177.256.30000109.3D75 R76T61-D75 VanDerWaalsContact CA-O 3.24Å; T61-D75 WeakPolarHBondContact CA-O 3.5Å; T61-R76 HydrophobicContact CG2-CB 4.43Å; T61-R76 HydrophobicContact CG2-CG 4.05Å
62T91.3Very high89.3Confident58 Ų58100.6 Ų100.636%0.35653%0.534SS..EExtended strand (participates in β ladder)trans-121.8158.9179.751.60000110.4I60 W74 D75I60-T62 HydrophobicContact CG2-CG2 4.06Å; T62-W74 CarbonylContact O-C 3.55Å; T62-W74 WeakPolarHBondContact O-CA 3.45Å; T62-D75 PolarHBondContact N-O 3.14Å; T62-D75 PolarHBondContact O-N 3.35Å
63R90.4Very high89.1Confident81 Ų8195.4 Ų95.431%0.30652%0.521SS..EExtended strand (participates in β ladder)trans-71.1142.7166.6-68.4-70.2-65.5-88.4-3.5108.7G68 W74R63-G68 PolarHBondContact NH1-O 3.49Å; R63-G68 PolarHBondContact NH2-O 3.37Å; R63-W74 VanDerWaalsContact CD-CZ2 3.47Å; R63-W74 HydrophobicContact CG-CE3 4.14Å; R63-W74 HydrophobicContact CG-CH2 4Å; R63-W74 HydrophobicContact CG-CZ2 4.41Å; R63-W74 HydrophobicContact CG-CZ3 3.85Å
64K90.2Very high88.9Confident122 Ų12298.1 Ų98.153%0.5353%0.527SS..SBendtrans-70.2-39.9171.3-66.8-166.6171.4-177.80111.8T73 D75K64-T73 PolarHBondContact N-O 2.76Å; K64-D75 WeakPolarHBondContact CE-OD1 3.44Å; K64-D75 WeakPolarHBondContact CG-OD2 3.5Å; K64-D75 IonicContact NZ-OD1 3.24Å
65T87.1Confident88.7Confident33 Ų3395.5 Ų95.520%0.20251%0.507CS..SBendtrans-79.9135.4-176.647.70000111.5
66P85.7Confident88.7Confident135 Ų135102.2 Ų102.288%0.87753%0.526SS*.THydrogen-bonded Turntrans-70.8-36.6-178.127.8-34.6000113.3
67C78.3Confident88.8Confident95 Ų95100.8 Ų100.864%0.64252%0.52SS*.THydrogen-bonded Turntrans-95.310-169.152.40000115.4E69C67-E69 PolarHBondContact O-N 2.82Å
68G74.6Confident88.8Confident37 Ų37102.7 Ų102.738%0.38153%0.525SS..SBendtrans69.3-30-178.900000115.2R63R63-G68 PolarHBondContact NH1-O 3.49Å; R63-G68 PolarHBondContact NH2-O 3.37Å
69E78.9Confident88.8Confident155 Ų155103.2 Ų103.272%0.72452%0.524SS*.  trans-77.8136.3171.1-65.3-56.2144.500111.1C67C67-E69 PolarHBondContact O-N 2.82Å
70G75.3Confident88.8Confident56 Ų56101.2 Ų101.258%0.57752%0.516SS*.SBendtrans123.4-169.5-176.900000114.3
71S82.1Confident88.8Confident76 Ų7698.3 Ų98.353%0.53150%0.501SS..  trans-58.9143.2-177.266.40000111.8T73S71-T73 PolarHBondContact O-N 2.86Å; S71-T73 PolarHBondContact O-OG1 2.86Å; S71-T73 VanDerWaalsContact OG-CG2 3.3Å; S71-T73 WeakPolarHBondContact OG-CG2 3.33Å; S71-T73 PolarHBondContact OG-OG1 3.18Å
72K83.4Confident88.9Confident191 Ų19195.2 Ų95.283%0.8348%0.481SS*.  trans-7154.1178.4-64-180-178.8176.90111.9
73T90.6Very high89.1Confident51 Ų5196 Ų9631%0.31348%0.479SS..  trans-98.2137.6-179.4550000110.8K64 S71K64-T73 PolarHBondContact N-O 2.76Å; S71-T73 PolarHBondContact O-N 2.86Å; S71-T73 PolarHBondContact O-OG1 2.86Å; S71-T73 VanDerWaalsContact OG-CG2 3.3Å; S71-T73 WeakPolarHBondContact OG-CG2 3.33Å; S71-T73 PolarHBondContact OG-OG1 3.18Å
74W91.8Very high89.3Confident135 Ų13593 Ų9351%0.51147%0.468SS..EExtended strand (participates in β ladder)trans-130.2137.1-173.8-63.784.2000110T62 R63T62-W74 CarbonylContact O-C 3.55Å; T62-W74 WeakPolarHBondContact O-CA 3.45Å; R63-W74 VanDerWaalsContact CD-CZ2 3.47Å; R63-W74 HydrophobicContact CG-CE3 4.14Å; R63-W74 HydrophobicContact CG-CH2 4Å; R63-W74 HydrophobicContact CG-CZ2 4.41Å; R63-W74 HydrophobicContact CG-CZ3 3.85Å
75D93.4Very high89.5Confident52 Ų5287.9 Ų87.928%0.27845%0.447SS..EExtended strand (participates in β ladder)trans-87.5138.6164.2-76.1-37.2000109.8T61 T62 K64 F77T61-D75 VanDerWaalsContact CA-O 3.24Å; T61-D75 WeakPolarHBondContact CA-O 3.5Å; T62-D75 PolarHBondContact N-O 3.14Å; T62-D75 PolarHBondContact O-N 3.35Å; K64-D75 WeakPolarHBondContact CE-OD1 3.44Å; K64-D75 WeakPolarHBondContact CG-OD2 3.5Å; K64-D75 IonicContact NZ-OD1 3.24Å; D75-F77 HydrophobicContact CB-CD2 4.17Å; D75-F77 HydrophobicContact CB-CE2 3.51Å; D75-F77 HydrophobicContact CB-CZ 3.82Å
76R95.5Very high89.8Confident196 Ų19686.3 Ų86.374%0.7444%0.437SS*.EExtended strand (participates in β ladder)trans-124.483.9-178.8-62.4-175.6175.5175.2-1.2109.2T61T61-R76 HydrophobicContact CG2-CB 4.43Å; T61-R76 HydrophobicContact CG2-CG 4.05Å
77F96.7Very high90.1Very high120 Ų12081.2 Ų81.253%0.52640%0.402SS..EExtended strand (participates in β ladder)trans-75.9136.7176.1-59.4-73.5000110.4R59 I60 D75R59-F77 WeakPolarHBondContact CA-O 3.34Å; I60-F77 HydrophobicContact CB-CB 4.43Å; I60-F77 PolarHBondContact N-O 3.2Å; I60-F77 PolarHBondContact O-N 3.29Å; D75-F77 HydrophobicContact CB-CD2 4.17Å; D75-F77 HydrophobicContact CB-CE2 3.51Å; D75-F77 HydrophobicContact CB-CZ 3.82Å
78Q96.1Very high90.6Very high95 Ų9576.7 Ų76.744%0.44437%0.372SS..EExtended strand (participates in β ladder)trans-128.1133.9176.9-62-170.71.500110.4V57 L58 R59V57-Q78 HydrophobicContact CG1-CB 4.41Å; L58-Q78 WeakPolarHBondContact O-CA 3.39Å; R59-Q78 HydrophobicContact CG-CG 4.35Å
79F96.2Very high91.3Very high108 Ų10876.5 Ų76.547%0.47436%0.362SS..EExtended strand (participates in β ladder)trans-120.6126.3167-174.3-101.4000108.9A24 L58 I81A24-F79 HydrophobicContact CB-CE2 3.71Å; A24-F79 HydrophobicContact CB-CZ 3.74Å; L58-F79 HydrophobicContact CB-CB 4.24Å; L58-F79 HydrophobicContact CD1-CD1 4.03Å; L58-F79 PolarHBondContact N-O 3.1Å; L58-F79 PolarHBondContact O-N 2.94Å; F79-I81 HydrophobicContact CD1-CD1 4.28Å; F79-I81 HydrophobicContact CD1-CG1 3.77Å; F79-I81 HydrophobicContact CE1-CD1 4.13Å; F79-I81 HydrophobicContact CE1-CG1 3.53Å
80R96Very high91.5Very high133 Ų13369.2 Ų69.250%0.50233%0.328SS..EExtended strand (participates in β ladder)trans-106.7126.8-177.6-65.3-176.4-176.7-174.92108.9A24 T55 V57A24-R80 WeakPolarHBondContact CA-O 3.41Å; T55-R80 HydrophobicContact CG2-CB 3.88Å; T55-R80 HydrophobicContact CG2-CG 4.41Å; V57-R80 HydrophobicContact CG1-CG 4.39Å; V57-R80 HydrophobicContact CG2-CG 4.3Å
81I96.4Very high92Very high50 Ų5068.5 Ų68.526%0.25631%0.313SS..EExtended strand (participates in β ladder)trans-105.7109174-59.9168.6000107.2T55 K56 L58 F79T55-I81 WeakPolarHBondContact CA-O 3.29Å; T55-I81 WeakPolarHBondContact CG2-O 3.42Å; K56-I81 HydrophobicContact CB-CB 4.36Å; K56-I81 PolarHBondContact N-O 3.27Å; K56-I81 VanDerWaalsContact N-O 3.1Å; K56-I81 PolarHBondContact O-N 3.11Å; L58-I81 HydrophobicContact CD1-CD1 4.02Å; L58-I81 HydrophobicContact CG-CD1 4.32Å; F79-I81 HydrophobicContact CD1-CD1 4.28Å; F79-I81 HydrophobicContact CD1-CG1 3.77Å; F79-I81 HydrophobicContact CE1-CD1 4.13Å; F79-I81 HydrophobicContact CE1-CG1 3.53Å
82H96.3Very high91.9Very high21 Ų2169.2 Ų69.210%0.09731%0.31CS..EExtended strand (participates in β ladder)trans-89.7124.3173.7-59.6-71.3000108.7T22 A23 A24 V26 L29 T55T22-H82 WeakPolarHBondContact CA-O 3.43Å; A23-H82 PolarHBondContact N-O 2.73Å; A23-H82 PolarHBondContact O-N 3.19Å; A24-H82 PolarHBondContact O-CD2 2.89Å; A24-H82 VanDerWaalsContact O-CD2 3.31Å; V26-H82 WeakPolarHBondContact CG2-NE2 3.38Å; L29-H82 HydrophobicContact CD2-CB 3.44Å; L29-H82 VanDerWaalsContact CD2-CB 3.44Å; T55-H82 VanDerWaalsContact CG2-CE1 3.46Å; T55-H82 WeakPolarHBondContact CG2-CE1 3.2Å; T55-H82 WeakPolarHBondContact CG2-ND1 3.21Å; T55-H82 PolarHBondContact OG1-ND1 3.26Å
83K95.6Very high91.8Very high74 Ų7467.2 Ų67.232%0.32230%0.304SS..EExtended strand (participates in β ladder)trans-117.1132.8179.8-178177-170.7179.10110T20 L21 T22 M53 V85T20-K83 HydrophobicContact CG2-CD 4.29Å; T20-K83 HydrophobicContact CG2-CG 4.19Å; L21-K83 CarbonylContact O-C 3.57Å; L21-K83 WeakPolarHBondContact O-CA 3.46Å; T22-K83 HydrophobicContact CG2-CB 4.11Å; T22-K83 HydrophobicContact CG2-CD 4.4Å; T22-K83 HydrophobicContact CG2-CG 3.94Å; M53-K83 HydrophobicContact CB-CB 3.92Å; M53-K83 HydrophobicContact CB-CD 4.21Å; M53-K83 HydrophobicContact CB-CG 4.02Å; M53-K83 HydrophobicContact CG-CD 4.15Å; M53-K83 HydrophobicContact CG-CG 4.1Å; M53-K83 PolarHBondContact N-O 3.1Å; M53-K83 VanDerWaalsContact N-O 3.1Å; K83-V85 HydrophobicContact CG-CG2 4.44Å
84R95.1Very high91.3Very high19 Ų1965.3 Ų65.37%0.07229%0.293CS..EExtended strand (participates in β ladder)trans-123.3142.2171.3-55.5-63.2-179.7-133.28.6108.4L21 L29 E30 V51 R52L21-R84 HydrophobicContact CB-CB 4.27Å; L21-R84 PolarHBondContact N-O 2.83Å; L21-R84 PolarHBondContact O-N 3.35Å; L29-R84 HydrophobicContact CD1-CG 4.26Å; L29-R84 HydrophobicContact CD2-CG 3.88Å; L29-R84 HydrophobicContact CG-CG 3.94Å; E30-R84 IonicContact OE1-CZ 2.73Å; E30-R84 VanDerWaalsContact OE1-CZ 3.24Å; E30-R84 IonicContact OE1-NE 3.91Å; E30-R84 PolarHBondContact OE1-NE 3.24Å; E30-R84 IonicContact OE1-NH2 2.89Å; E30-R84 PolarHBondContact OE1-NH2 2.88Å; V51-R84 WeakPolarHBondContact O-CA 3.45Å; R52-R84 VanDerWaalsContact CD-CZ 3.47Å; R52-R84 VanDerWaalsContact CG-CZ 3.44Å
85V94.4Very high90.7Very high13 Ų1359 Ų598%0.07927%0.27CS..EExtended strand (participates in β ladder)trans-126.8131.6177.5-178.20000108.3R18 V19 V51 M53 K83R18-V85 HydrophobicContact CG-CG1 3.62Å; V19-V85 CarbonylContact O-C 3.53Å; V19-V85 WeakPolarHBondContact O-CA 3.38Å; V51-V85 HydrophobicContact CB-CB 4.49Å; V51-V85 PolarHBondContact N-O 3.23Å; V51-V85 PolarHBondContact O-N 3.05Å; M53-V85 HydrophobicContact CG-CG2 3.84Å; K83-V85 HydrophobicContact CG-CG2 4.44Å
86I92.8Very high90.1Very high1 Ų161.2 Ų61.21%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-124.2124.3175.6-65.8167.3000106.8V19 T33 L36 I37 V47 P50 L88V19-I86 HydrophobicContact CB-CB 4.49Å; V19-I86 PolarHBondContact N-O 2.92Å; V19-I86 PolarHBondContact O-N 3.4Å; T33-I86 HydrophobicContact CG2-CD1 3.87Å; L36-I86 HydrophobicContact CB-CD1 4.36Å; L36-I86 HydrophobicContact CD2-CD1 3.73Å; L36-I86 HydrophobicContact CG-CD1 4.43Å; I37-I86 HydrophobicContact CD1-CD1 4.34Å; I37-I86 HydrophobicContact CG1-CD1 4Å; V47-I86 HydrophobicContact CG1-CG2 3.96Å; P50-I86 HydrophobicContact CB-CG1 4.16Å; I86-L88 HydrophobicContact CG2-CD2 3.84Å; I86-L88 HydrophobicContact CG2-CG 4.06Å
87D91.8Very high89.4Confident27 Ų2756.6 Ų56.614%0.14427%0.265CS..EExtended strand (participates in β ladder)trans-102.5129174.5-64.6-23.9000109V17 R18 K48V17-D87 CarbonylContact O-C 3.57Å; V17-D87 WeakPolarHBondContact O-CA 3.45Å; R18-D87 WeakPolarHBondContact CB-OD1 3.18Å; R18-D87 VanDerWaalsContact CG-OD1 3.31Å; R18-D87 WeakPolarHBondContact CG-OD1 3.22Å; R18-D87 IonicContact CZ-OD1 3.53Å; R18-D87 IonicContact CZ-OD2 3.72Å; R18-D87 IonicContact NE-OD1 2.74Å; R18-D87 PolarHBondContact NE-OD1 3.03Å; R18-D87 IonicContact NE-OD2 3.69Å; R18-D87 IonicContact NH2-OD1 3.44Å; R18-D87 PolarHBondContact NH2-OD1 3.25Å; R18-D87 IonicContact NH2-OD2 2.87Å; R18-D87 PolarHBondContact NH2-OD2 3.48Å; K48-D87 HydrophobicContact CB-CB 4.08Å; K48-D87 HydrophobicContact CD-CB 4.22Å; K48-D87 PolarHBondContact N-O 3.3Å
88L90.5Very high88.5Confident1 Ų151.6 Ų51.61%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-119.7143.8-178.8-58.7175.1000109.2W16 V17 V19 A40 V47 I86 L98W16-L88 CarbonylContact C-O 3.58Å; W16-L88 WeakPolarHBondContact CA-O 3.44Å; V17-L88 PolarHBondContact N-O 2.98Å; V17-L88 PolarHBondContact O-N 3.35Å; V19-L88 HydrophobicContact CG2-CD1 4.22Å; A40-L88 HydrophobicContact CB-CD2 3.95Å; V47-L88 HydrophobicContact CB-CD2 3.97Å; V47-L88 HydrophobicContact CG1-CD2 3.75Å; V47-L88 HydrophobicContact CG2-CD2 3.58Å; I86-L88 HydrophobicContact CG2-CD2 3.84Å; I86-L88 HydrophobicContact CG2-CG 4.06Å; L88-L98 HydrophobicContact CD1-CD1 3.56Å
89L88.9Confident87.5Confident32 Ų3252.5 Ų52.517%0.16825%0.246CC..EExtended strand (participates in β ladder)trans-100104.3161.7-176.371.4000107.4R14 W16 R46R14-L89 HydrophobicContact CB-CD1 4.02Å; R14-L89 HydrophobicContact CB-CG 4.11Å; W16-L89 HydrophobicContact CG-CD1 4.29Å; R46-L89 HydrophobicContact CB-CB 4.18Å; R46-L89 PolarHBondContact O-N 2.92Å
90S83.5Confident86.3Confident2 Ų255.2 Ų55.21%0.01426%0.26CS..EExtended strand (participates in β ladder)trans-131.4156.9-169.6-167.90000111.8N15 A94 T95N15-S90 PolarHBondContact N-O 3.41Å; N15-S90 PolarHBondContact O-N 3.04Å; S90-A94 VanDerWaalsContact OG-CB 3.27Å; S90-A94 WeakPolarHBondContact OG-CB 3.34Å; S90-T95 PolarHBondContact OG-OG1 3.02Å
91T84.2Confident84.8Confident41 Ų4151.7 Ų51.725%0.25225%0.251SS..  trans-77.9161.6162.956.20000109.6E93 A94 T95T91-E93 PolarHBondContact O-N 3.31Å; T91-A94 PolarHBondContact O-N 3.37Å; T91-T95 PolarHBondContact O-N 2.91Å; T91-T95 VanDerWaalsContact O-N 3.08Å; T91-T95 PolarHBondContact O-OG1 3.49Å
92D80.5Confident83.2Confident91 Ų9151.7 Ų51.749%0.48725%0.248SC..Hα-helixtrans-61.9-42.6-179.8-171.745.8000112.1A94 T95 Q96D92-A94 PolarHBondContact O-N 2.84Å; D92-T95 WeakPolarHBondContact O-CA 3.45Å; D92-T95 VanDerWaalsContact O-CB 3.27Å; D92-T95 WeakPolarHBondContact O-CB 3.32Å; D92-T95 PolarHBondContact O-N 2.83Å; D92-Q96 PolarHBondContact O-N 3.26Å; D92-Q96 PolarHBondContact OD2-NE2 3.42Å; D92-Q96 VanDerWaalsContact OD2-NE2 3.07Å
93E82.2Confident82Confident149 Ų14959 Ų5970%0.69629%0.287SS*.Hα-helixtrans-57.2-47.7177-63179.217600112.8T91 T95 Q96 Q97T91-E93 PolarHBondContact O-N 3.31Å; E93-T95 PolarHBondContact O-N 2.86Å; E93-Q96 PolarHBondContact O-N 2.81Å; E93-Q97 WeakPolarHBondContact O-CG 3.46Å; E93-Q97 PolarHBondContact O-N 3.47Å
94A80.4Confident81.3Confident11 Ų1159 Ų599%0.09129%0.288CS..Hα-helixtrans-66.7-29.9177.600000111.7L45 S90 T91 D92 Q97 L98L45-A94 HydrophobicContact CD1-CB 4.45Å; L45-A94 HydrophobicContact CD2-CB 4.48Å; S90-A94 VanDerWaalsContact OG-CB 3.27Å; S90-A94 WeakPolarHBondContact OG-CB 3.34Å; T91-A94 PolarHBondContact O-N 3.37Å; D92-A94 PolarHBondContact O-N 2.84Å; A94-Q97 PolarHBondContact O-N 3.02Å; A94-L98 WeakPolarHBondContact O-CD1 3.38Å; A94-L98 VanDerWaalsContact O-CG 3.29Å; A94-L98 WeakPolarHBondContact O-CG 3.41Å; A94-L98 PolarHBondContact O-N 2.89Å; A94-L98 VanDerWaalsContact O-N 3.1Å
95T78.8Confident80.9Confident2 Ų263.3 Ų63.31%0.01232%0.318CS..Hα-helixtrans-66.5-40.3175.8-54.80000111.8V17 S90 T91 D92 E93 L98 K99 V111V17-T95 HydrophobicContact CG1-CG2 3.84Å; V17-T95 HydrophobicContact CG2-CG2 4.07Å; S90-T95 PolarHBondContact OG-OG1 3.02Å; T91-T95 PolarHBondContact O-N 2.91Å; T91-T95 VanDerWaalsContact O-N 3.08Å; T91-T95 PolarHBondContact O-OG1 3.49Å; D92-T95 WeakPolarHBondContact O-CA 3.45Å; D92-T95 VanDerWaalsContact O-CB 3.27Å; D92-T95 WeakPolarHBondContact O-CB 3.32Å; D92-T95 PolarHBondContact O-N 2.83Å; E93-T95 PolarHBondContact O-N 2.86Å; T95-L98 PolarHBondContact O-N 2.99Å; T95-K99 PolarHBondContact O-N 2.85Å; T95-V111 HydrophobicContact CG2-CG1 4Å
96Q80.9Confident80.6Confident99 Ų9965.6 Ų65.646%0.46335%0.345SS..Hα-helixtrans-65.1-43.5175.9-63.9176.821.500111.2D92 E93 L98 K99 H100D92-Q96 PolarHBondContact O-N 3.26Å; D92-Q96 PolarHBondContact OD2-NE2 3.42Å; D92-Q96 VanDerWaalsContact OD2-NE2 3.07Å; E93-Q96 PolarHBondContact O-N 2.81Å; Q96-L98 VanDerWaalsContact C-N 3.3Å; Q96-L98 PolarHBondContact O-N 2.82Å; Q96-K99 WeakPolarHBondContact O-CB 3.46Å; Q96-K99 PolarHBondContact O-N 3.05Å; Q96-H100 PolarHBondContact O-CD2 3.24Å
97Q80.9Confident80.6Confident100 Ų10066.2 Ų66.247%0.46735%0.348SS..Hα-helixtrans-58-41.8175.6-68176.64.400112.1E93 A94 K99 H100 I101E93-Q97 WeakPolarHBondContact O-CG 3.46Å; E93-Q97 PolarHBondContact O-N 3.47Å; A94-Q97 PolarHBondContact O-N 3.02Å; Q97-K99 VanDerWaalsContact C-N 3.31Å; Q97-K99 PolarHBondContact O-N 3.2Å; Q97-H100 PolarHBondContact O-N 3.24Å; Q97-I101 WeakPolarHBondContact O-CD1 3.36Å; Q97-I101 WeakPolarHBondContact O-CG1 3.42Å
98L78.1Confident80.5Confident14 Ų1470.2 Ų70.27%0.07337%0.37CS..Hα-helixtrans-64.2-32.1179.6-72.2162.2000113.3L36 L45 L88 A94 T95 Q96L36-L98 HydrophobicContact CD1-CB 4.5Å; L36-L98 HydrophobicContact CD1-CD2 3.65Å; L45-L98 HydrophobicContact CD1-CD1 4.06Å; L88-L98 HydrophobicContact CD1-CD1 3.56Å; A94-L98 WeakPolarHBondContact O-CD1 3.38Å; A94-L98 VanDerWaalsContact O-CG 3.29Å; A94-L98 WeakPolarHBondContact O-CG 3.41Å; A94-L98 PolarHBondContact O-N 2.89Å; A94-L98 VanDerWaalsContact O-N 3.1Å; T95-L98 PolarHBondContact O-N 2.99Å; Q96-L98 VanDerWaalsContact C-N 3.3Å; Q96-L98 PolarHBondContact O-N 2.82Å
99K74.8Confident80.5Confident114 Ų11473 Ų7350%0.49639%0.389SS..Hα-helixtrans-65.5-39.6179.4-72.9174.1179.4177.90112.7T95 Q96 Q97 I101 V111T95-K99 PolarHBondContact O-N 2.85Å; Q96-K99 WeakPolarHBondContact O-CB 3.46Å; Q96-K99 PolarHBondContact O-N 3.05Å; Q97-K99 VanDerWaalsContact C-N 3.31Å; Q97-K99 PolarHBondContact O-N 3.2Å; K99-I101 PolarHBondContact O-N 3.35Å; K99-V111 HydrophobicContact CG-CB 4.35Å; K99-V111 HydrophobicContact CG-CG2 3.96Å
100H69.5Low80.5Confident165 Ų16575.2 Ų75.276%0.76440%0.401SS*.THydrogen-bonded Turntrans-73.4-13.2-172.2-72.1-66.2000114.4Q96 Q97Q96-H100 PolarHBondContact O-CD2 3.24Å; Q97-H100 PolarHBondContact O-N 3.24Å
101I64.5Low80.8Confident59 Ų5976.8 Ų76.830%0.30341%0.41SS..THydrogen-bonded Turntrans-87.8-19.3-159.6-72.1171.7000114K39 Q97 K99K39-I101 HydrophobicContact CD-CD1 3.91Å; K39-I101 HydrophobicContact CD-CG2 3.77Å; Q97-I101 WeakPolarHBondContact O-CD1 3.36Å; Q97-I101 WeakPolarHBondContact O-CG1 3.42Å; K99-I101 PolarHBondContact O-N 3.35Å
102Y64.5Low81Confident51 Ų5179.3 Ų79.320%0.242%0.418CS..  trans-129.8100.4-168.1-64.5-73.6000113.5V32 G35 L36 K39V32-Y102 HydrophobicContact CG1-CD1 4.01Å; V32-Y102 HydrophobicContact CG1-CG 3.9Å; V32-Y102 HydrophobicContact CG2-CD1 4.42Å; G35-Y102 WeakPolarHBondContact CA-OH 3.35Å; G35-Y102 PolarHBondContact O-OH 3.49Å; L36-Y102 HydrophobicContact CB-CE2 4.11Å; L36-Y102 HydrophobicContact CD1-CD2 4.04Å; L36-Y102 HydrophobicContact CD1-CE2 3.67Å; L36-Y102 PolarHBondContact N-OH 2.8Å; K39-Y102 HydrophobicContact CD-CE2 4.44Å; K39-Y102 WeakPolarHBondContact CD-OH 3.42Å; K39-Y102 WeakPolarHBondContact CE-OH 3.35Å
103L69.3Low81.3Confident173 Ų17376.3 Ų76.391%0.90640%0.403SS*.  trans-116.958.7166.3-168.373.6000109.5
104E82Confident81.2Confident75 Ų7571.9 Ų71.935%0.3539%0.391SS..  trans-72.2128.7167.2-173.373.3-177.400107.8P28 V32 G106 V107P28-E104 HydrophobicContact CB-CG 3.58Å; V32-E104 HydrophobicContact CG2-CB 3.5Å; V32-E104 VanDerWaalsContact CG2-CB 3.5Å; V32-E104 HydrophobicContact CG2-CG 4.13Å; E104-G106 PolarHBondContact O-N 3.49Å; E104-V107 HydrophobicContact CB-CB 4.47Å; E104-V107 HydrophobicContact CB-CG2 4.14Å; E104-V107 HydrophobicContact CG-CG2 4.19Å; E104-V107 PolarHBondContact O-N 3.34Å
105P86.1Confident80.6Confident109 Ų10974.9 Ų74.971%0.70842%0.424SS*.THydrogen-bonded Turntrans-60.1128.4-177.324.1-33.8000110.8
106G88.6Confident79.8Confident62 Ų6280.2 Ų80.264%0.63945%0.452SS*.THydrogen-bonded Turntrans83.87.5177.600000115.8E104E104-G106 PolarHBondContact O-N 3.49Å
107V91.6Very high77.9Confident13 Ų1386.4 Ų86.48%0.07949%0.487CS..EExtended strand (participates in β ladder)trans-106.9119168.5-175.20000109.2A23 P28 L29 V32 E104A23-V107 HydrophobicContact CB-CB 4.49Å; A23-V107 HydrophobicContact CB-CG2 4.06Å; P28-V107 HydrophobicContact CB-CG2 3.91Å; P28-V107 HydrophobicContact CG-CG2 4.38Å; L29-V107 HydrophobicContact CD1-CG1 4Å; V32-V107 HydrophobicContact CG1-CG1 4.44Å; V32-V107 HydrophobicContact CG2-CB 4.5Å; V32-V107 HydrophobicContact CG2-CG1 4.43Å; V32-V107 HydrophobicContact CG2-CG2 4.25Å; E104-V107 HydrophobicContact CB-CB 4.47Å; E104-V107 HydrophobicContact CB-CG2 4.14Å; E104-V107 HydrophobicContact CG-CG2 4.19Å; E104-V107 PolarHBondContact O-N 3.34Å
108N91.1Very high77.7Confident111 Ų11185.8 Ų85.859%0.59449%0.488SS*.EExtended strand (participates in β ladder)trans-93.4128.7174.4-70.1-16.8000109.9L21 T22L21-N108 WeakPolarHBondContact CA-O 3.37Å; T22-N108 PolarHBondContact N-O 3.03Å; T22-N108 PolarHBondContact O-N 2.75Å; T22-N108 WeakPolarHBondContact OG1-CB 3.24Å; T22-N108 PolarHBondContact OG1-O 2.73Å
109C89.9Confident77.7Confident61 Ų6189.5 Ų89.541%0.41251%0.51SS..EExtended strand (participates in β ladder)trans-113.5121.3-179.9-59.10000109.9L21L21-C109 HydrophobicContact CD2-CB 4Å; L21-C109 WeakPolarHBondContact CD2-SG 3.3Å
110D89.9Confident77.9Confident78 Ų7888.2 Ų88.242%0.41751%0.511SS..EExtended strand (participates in β ladder)trans-114.7133.8172.6179.248.5000109.2V19 T20 K112V19-D110 CarbonylContact C-O 3.56Å; V19-D110 WeakPolarHBondContact CA-O 2.93Å; T20-D110 PolarHBondContact N-O 2.77Å; T20-D110 PolarHBondContact O-N 3.1Å; D110-K112 WeakPolarHBondContact OD2-CE 3.49Å
111V89.3Confident78.4Confident35 Ų3583.6 Ų83.621%0.21250%0.496CS..EExtended strand (participates in β ladder)trans-124.7116.8-177-178.60000108.6V17 V19 T95 K99V17-V111 HydrophobicContact CG1-CG1 3.48Å; V17-V111 VanDerWaalsContact CG1-CG1 3.48Å; V19-V111 HydrophobicContact CG1-CG2 4.3Å; V19-V111 HydrophobicContact CG2-CG1 4.45Å; V19-V111 HydrophobicContact CG2-CG2 4.24Å; T95-V111 HydrophobicContact CG2-CG1 4Å; K99-V111 HydrophobicContact CG-CB 4.35Å; K99-V111 HydrophobicContact CG-CG2 3.96Å
112K88.7Confident79.2Confident94 Ų9485.2 Ų85.241%0.40951%0.508SS..EExtended strand (participates in β ladder)trans-113.6130.9179-63.9-165.8169-149.10110.8V17 R18 D110V17-K112 CarbonylContact C-O 3.57Å; V17-K112 WeakPolarHBondContact CA-O 3.43Å; R18-K112 PolarHBondContact N-O 2.79Å; R18-K112 PolarHBondContact O-N 2.78Å; D110-K112 WeakPolarHBondContact OD2-CE 3.49Å
113V86.9Confident80.2Confident27 Ų2787.5 Ų87.516%0.16453%0.529CS..EExtended strand (participates in β ladder)trans-94.1142.6172.6-174.50000108.6N15 V17 G115 D116N15-V113 HydrophobicContact CB-CG1 3.83Å; V17-V113 HydrophobicContact CG2-CG1 4.49Å; V17-V113 HydrophobicContact CG2-CG2 4.25Å; V113-G115 PolarHBondContact O-N 2.74Å; V113-D116 PolarHBondContact O-N 3.37Å; V113-D116 VanDerWaalsContact O-N 3.1Å
114A79.2Confident81Confident56 Ų5681.4 Ų81.446%0.46350%0.502SS..THydrogen-bonded Turntrans-60.7110.6174.300000109.4W16W16-A114 HydrophobicContact CB-CB 4.03Å; W16-A114 VanDerWaalsContact O-CB 3.29Å; W16-A114 WeakPolarHBondContact O-CB 3.31Å; W16-A114 PolarHBondContact O-N 2.74Å
115G68.2Low80.9Confident75 Ų7581.8 Ų81.877%0.77351%0.514SS*.THydrogen-bonded Turntrans135.8-30.4-172.400000112.4V113V113-G115 PolarHBondContact O-N 2.74Å
116D61.8Low80.5Confident114 Ų11479.6 Ų79.661%0.6150%0.497SS*.  trans-85.5115.1176.8-60.5-34.2000110V113V113-D116 PolarHBondContact O-N 3.37Å; V113-D116 VanDerWaalsContact O-N 3.1Å
117L40.6Very low79.8Confident229 Ų22981.2 Ų81.2100%1.19949%0.485SS*.  trans-76.50170.6-96.4154.6000110.8

Retrieved 117 of 117 residues in 91.5 ms (Link to these results)