A0A5K4EXK2_SCHMA Loading...

sn-1-specific diacylglycerol lipase ABHD11

AlphaFold DB , UniProt , Accession A0A5K4EXK2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 119 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
1M77.7Confident90.5Very high144 Ų14494.3 Ų94.371%0.70948%0.48SS*.  0-57.20-160.556.474.800113.5A3 F4 L5 W85M1-A3 PolarHBondContact O-N 3.49Å; M1-F4 WeakPolarHBondContact O-CB 3.35Å; M1-F4 PolarHBondContact O-N 2.87Å; M1-F4 VanDerWaalsContact O-N 3.08Å; M1-L5 HydrophobicContact CG-CD1 4.41Å; M1-L5 PolarHBondContact O-N 3.19Å; M1-L5 VanDerWaalsContact O-N 3.16Å; M1-W85 HydrophobicContact CE-CH2 4.48Å; M1-W85 HydrophobicContact CE-CZ2 4.21Å
2R87.7Confident90.8Very high195 Ų19597.9 Ų97.974%0.73649%0.49SS*.Hα-helixtrans-51.2-49.9-177.1-178.3177.1177-106.2-0.3114.3F4 L5 L6R2-F4 VanDerWaalsContact C-N 3.27Å; R2-F4 PolarHBondContact O-N 3.34Å; R2-L5 PolarHBondContact O-N 2.85Å; R2-L5 VanDerWaalsContact O-N 3.13Å; R2-L6 HydrophobicContact CG-CD1 4.24Å; R2-L6 WeakPolarHBondContact O-CG 3.48Å; R2-L6 PolarHBondContact O-N 2.82Å; R2-L6 VanDerWaalsContact O-N 3.11Å
3A87.1Confident91.2Very high75 Ų75102.3 Ų102.362%0.6252%0.516SS*.Hα-helixtrans-57.5-39.318000000112.7M1 L6 T7M1-A3 PolarHBondContact O-N 3.49Å; A3-L6 PolarHBondContact O-N 3.24Å; A3-T7 WeakPolarHBondContact O-CG2 3.2Å; A3-T7 PolarHBondContact O-N 3.45Å
4F86.1Confident91.5Very high116 Ų11699.2 Ų99.251%0.50952%0.523SS..Hα-helixtrans-66.9-38.9176.6177.3-97000112.7M1 R2 L6 T7 N8M1-F4 WeakPolarHBondContact O-CB 3.35Å; M1-F4 PolarHBondContact O-N 2.87Å; M1-F4 VanDerWaalsContact O-N 3.08Å; R2-F4 VanDerWaalsContact C-N 3.27Å; R2-F4 PolarHBondContact O-N 3.34Å; F4-L6 VanDerWaalsContact C-N 3.28Å; F4-L6 PolarHBondContact O-N 3.11Å; F4-T7 PolarHBondContact O-N 3.27Å; F4-T7 PolarHBondContact O-OG1 2.7Å; F4-N8 PolarHBondContact O-ND2 3.21Å
5L89Confident91.8Very high85 Ų85102.7 Ų102.745%0.44554%0.535SS..Hα-helixtrans-64.8-36.7175.4-64.7176.8000111.4M1 R2 T7 N8M1-L5 HydrophobicContact CG-CD1 4.41Å; M1-L5 PolarHBondContact O-N 3.19Å; M1-L5 VanDerWaalsContact O-N 3.16Å; R2-L5 PolarHBondContact O-N 2.85Å; R2-L5 VanDerWaalsContact O-N 3.13Å; L5-T7 VanDerWaalsContact C-N 3.29Å; L5-T7 PolarHBondContact O-N 2.59Å; L5-N8 WeakPolarHBondContact O-CB 3.22Å; L5-N8 PolarHBondContact O-N 3.07Å; L5-N8 VanDerWaalsContact O-N 3.16Å
6L92.8Very high92Very high79 Ų79104 Ų10441%0.41454%0.541SS..Hα-helixtrans-67.8-25.3179.2-65.1175.7000113.2R2 A3 F4 N8 L9R2-L6 HydrophobicContact CG-CD1 4.24Å; R2-L6 WeakPolarHBondContact O-CG 3.48Å; R2-L6 PolarHBondContact O-N 2.82Å; R2-L6 VanDerWaalsContact O-N 3.11Å; A3-L6 PolarHBondContact O-N 3.24Å; F4-L6 VanDerWaalsContact C-N 3.28Å; F4-L6 PolarHBondContact O-N 3.11Å; L6-N8 PolarHBondContact O-N 2.8Å; L6-L9 HydrophobicContact CD2-CD1 3.64Å; L6-L9 WeakPolarHBondContact O-CB 3.42Å; L6-L9 PolarHBondContact O-N 3.34Å
7T93.3Very high92.2Very high85 Ų85103.4 Ų103.452%0.52153%0.534SS..Hα-helixtrans-66.2-21174.969.20000112.6A3 F4 L5 L9 K19A3-T7 WeakPolarHBondContact O-CG2 3.2Å; A3-T7 PolarHBondContact O-N 3.45Å; F4-T7 PolarHBondContact O-N 3.27Å; F4-T7 PolarHBondContact O-OG1 2.7Å; L5-T7 VanDerWaalsContact C-N 3.29Å; L5-T7 PolarHBondContact O-N 2.59Å; T7-L9 VanDerWaalsContact C-N 3.31Å; T7-K19 PolarHBondContact O-NZ 3.49Å
8N95.2Very high92.4Very high49 Ų49104.7 Ų104.726%0.26253%0.531SS..THydrogen-bonded Turntrans-84.91.4174.9-76.8-88000113.4F4 L5 L6 W18 K19F4-N8 PolarHBondContact O-ND2 3.21Å; L5-N8 WeakPolarHBondContact O-CB 3.22Å; L5-N8 PolarHBondContact O-N 3.07Å; L5-N8 VanDerWaalsContact O-N 3.16Å; L6-N8 PolarHBondContact O-N 2.8Å; N8-W18 HydrophobicContact CB-CE3 4.3Å; N8-W18 HydrophobicContact CB-CZ3 4.45Å; N8-K19 WeakPolarHBondContact O-CB 3.19Å; N8-K19 WeakPolarHBondContact O-CG 3.14Å; N8-K19 PolarHBondContact O-N 3.04Å
9L95.8Very high92.6Very high52 Ų52106.1 Ų106.127%0.27253%0.533SS..EExtended strand (participates in β ladder)trans-85.9136.2167.5-63.7177.3000110.1L6 T7 I16 F17 W18 K19L6-L9 HydrophobicContact CD2-CD1 3.64Å; L6-L9 WeakPolarHBondContact O-CB 3.42Å; L6-L9 PolarHBondContact O-N 3.34Å; T7-L9 VanDerWaalsContact C-N 3.31Å; L9-I16 HydrophobicContact CB-CG2 4.27Å; L9-I16 HydrophobicContact CD1-CG2 4.31Å; L9-I16 HydrophobicContact CD2-CG2 3.97Å; L9-I16 HydrophobicContact CG-CG2 4.42Å; L9-F17 WeakPolarHBondContact CA-O 3.49Å; L9-W18 HydrophobicContact CD2-CD2 3.67Å; L9-W18 HydrophobicContact CD2-CE3 3.57Å; L9-W18 HydrophobicContact CD2-CG 4.37Å; L9-W18 HydrophobicContact CD2-CH2 3.92Å; L9-W18 HydrophobicContact CD2-CZ2 4.01Å; L9-W18 HydrophobicContact CD2-CZ3 3.69Å; L9-W18 HydrophobicContact CG-CE3 4.36Å; L9-W18 HydrophobicContact CG-CH2 4.5Å; L9-W18 HydrophobicContact CG-CZ3 4.17Å; L9-K19 WeakPolarHBondContact O-CE 3.27Å; L9-K19 PolarHBondContact O-NZ 3.33Å; L9-K19 VanDerWaalsContact O-NZ 3.09Å
10G94.6Very high92.8Very high11 Ų11102.1 Ų102.111%0.11352%0.517CS..EExtended strand (participates in β ladder)trans-116.1159.3167.100000109.8I16 F17G10-I16 WeakPolarHBondContact O-CA 3.34Å; G10-F17 PolarHBondContact N-O 3.3Å; G10-F17 WeakPolarHBondContact O-CD1 3.43Å; G10-F17 PolarHBondContact O-N 3.07Å
11E96Very high92.9Very high146 Ų146102.3 Ų102.368%0.68252%0.52SS*.EExtended strand (participates in β ladder)trans-125.5134171.5-172.3-178.1151.300108E15E11-E15 WeakPolarHBondContact CA-O 3.16Å
12K95.1Very high93.8Very high138 Ų13899 Ų9960%0.650%0.504SS*.EExtended strand (participates in β ladder)trans-142125.4173.8-179.4176.3178.2-175.70108.3G14 E15 F17K12-G14 PolarHBondContact O-N 3.34Å; K12-G14 VanDerWaalsContact O-N 3.16Å; K12-E15 PolarHBondContact N-O 2.96Å; K12-E15 PolarHBondContact O-N 2.83Å; K12-F17 HydrophobicContact CB-CD1 4.35Å; K12-F17 HydrophobicContact CB-CE1 3.78Å
13D96.2Very high94.2Very high155 Ų15596.1 Ų96.183%0.82950%0.504SS*.THydrogen-bonded Turntrans53.633.9178.6-53-42.8000113.7E15D13-E15 VanDerWaalsContact C-N 3.3Å; D13-E15 PolarHBondContact O-N 3.16Å
14G95.1Very high94.7Very high59 Ų5994.2 Ų94.261%0.60849%0.488SS*.THydrogen-bonded Turntrans82.5-3-177.400000115.1K12K12-G14 PolarHBondContact O-N 3.34Å; K12-G14 VanDerWaalsContact O-N 3.16Å
15E95.4Very high95.2Very high152 Ų15292 Ų9271%0.7148%0.481SS*.EExtended strand (participates in β ladder)trans-96.4128.9175.5-62.9-168.8160.900111.6E11 K12 D13E11-E15 WeakPolarHBondContact CA-O 3.16Å; K12-E15 PolarHBondContact N-O 2.96Å; K12-E15 PolarHBondContact O-N 2.83Å; D13-E15 VanDerWaalsContact C-N 3.3Å; D13-E15 PolarHBondContact O-N 3.16Å
16I95.1Very high95.6Very high123 Ų12396.2 Ų96.263%0.63150%0.496SS*.EExtended strand (participates in β ladder)trans-86.8129.4174.9-59.1175.6000109.3L9 G10L9-I16 HydrophobicContact CB-CG2 4.27Å; L9-I16 HydrophobicContact CD1-CG2 4.31Å; L9-I16 HydrophobicContact CD2-CG2 3.97Å; L9-I16 HydrophobicContact CG-CG2 4.42Å; G10-I16 WeakPolarHBondContact O-CA 3.34Å
17F95.6Very high95.8Very high94 Ų9496.6 Ų96.641%0.41251%0.505SS..EExtended strand (participates in β ladder)trans-133.4159177.267.6-84.8000111.9L9 G10 K12 K19L9-F17 WeakPolarHBondContact CA-O 3.49Å; G10-F17 PolarHBondContact N-O 3.3Å; G10-F17 WeakPolarHBondContact O-CD1 3.43Å; G10-F17 PolarHBondContact O-N 3.07Å; K12-F17 HydrophobicContact CB-CD1 4.35Å; K12-F17 HydrophobicContact CB-CE1 3.78Å; F17-K19 HydrophobicContact CE2-CG 4.26Å
18W96.1Very high96Very high126 Ų12695 Ų9548%0.47750%0.496SS..EExtended strand (participates in β ladder)trans-80.3123.1170-67.5102.5000110N8 L9 A20 L22N8-W18 HydrophobicContact CB-CE3 4.3Å; N8-W18 HydrophobicContact CB-CZ3 4.45Å; L9-W18 HydrophobicContact CD2-CD2 3.67Å; L9-W18 HydrophobicContact CD2-CE3 3.57Å; L9-W18 HydrophobicContact CD2-CG 4.37Å; L9-W18 HydrophobicContact CD2-CH2 3.92Å; L9-W18 HydrophobicContact CD2-CZ2 4.01Å; L9-W18 HydrophobicContact CD2-CZ3 3.69Å; L9-W18 HydrophobicContact CG-CE3 4.36Å; L9-W18 HydrophobicContact CG-CH2 4.5Å; L9-W18 HydrophobicContact CG-CZ3 4.17Å; W18-A20 VanDerWaalsContact C-N 3.28Å; W18-A20 PolarHBondContact O-N 3.26Å; W18-L22 HydrophobicContact CB-CD1 4.1Å; W18-L22 HydrophobicContact CB-CG 4.03Å; W18-L22 VanDerWaalsContact CD1-CD1 3.49Å; W18-L22 HydrophobicContact CD2-CD1 3.56Å; W18-L22 HydrophobicContact CD2-CG 4.31Å; W18-L22 HydrophobicContact CE3-CD1 4.27Å; W18-L22 HydrophobicContact CG-CD1 3.45Å; W18-L22 VanDerWaalsContact CG-CD1 3.45Å; W18-L22 HydrophobicContact CG-CG 3.94Å; W18-L22 HydrophobicContact CZ2-CD1 4.44Å
19K96.4Very high96.1Very high131 Ų13199.7 Ų99.757%0.5751%0.511SS*.SBendtrans-63.1-36.9172.6-66174.5-177157.10111.5T7 N8 L9 F17T7-K19 PolarHBondContact O-NZ 3.49Å; N8-K19 WeakPolarHBondContact O-CB 3.19Å; N8-K19 WeakPolarHBondContact O-CG 3.14Å; N8-K19 PolarHBondContact O-N 3.04Å; L9-K19 WeakPolarHBondContact O-CE 3.27Å; L9-K19 PolarHBondContact O-NZ 3.33Å; L9-K19 VanDerWaalsContact O-NZ 3.09Å; F17-K19 HydrophobicContact CE2-CG 4.26Å
20A95.3Very high96.1Very high27 Ų27103.4 Ų103.422%0.22353%0.531CS..SBendtrans-79.4140.117500000111W18 L22 I25W18-A20 VanDerWaalsContact C-N 3.28Å; W18-A20 PolarHBondContact O-N 3.26Å; A20-L22 VanDerWaalsContact C-N 3.33Å; A20-L22 HydrophobicContact CB-CD2 4.13Å; A20-L22 PolarHBondContact O-N 3.02Å; A20-I25 HydrophobicContact CB-CD1 4.11Å
21N96.1Very high96.1Very high106 Ų106109.3 Ų109.357%0.56756%0.555SS**  trans-75.484174.1-173.3-17.3000110.7N23 A24 I25N21-N23 VanDerWaalsContact C-N 3.27Å; N21-N23 PolarHBondContact O-N 3.33Å; N21-N23 PolarHBondContact OD1-N 3.08Å; N21-A24 HydrophobicContact CB-CB 4.05Å; N21-A24 VanDerWaalsContact CG-CB 3.42Å; N21-A24 PolarHBondContact O-N 2.77Å; N21-A24 WeakPolarHBondContact OD1-CB 3.5Å; N21-A24 PolarHBondContact OD1-N 2.74Å; N21-I25 WeakPolarHBondContact O-CG1 3.47Å; N21-I25 PolarHBondContact O-N 2.81Å
22L95.3Very high96.1Very high74 Ų74107.2 Ų107.239%0.38755%0.548SS..Hα-helixtrans-62.5-33.4-175.9-60.4-168.9000113.1W18 A20 I25 K26W18-L22 HydrophobicContact CB-CD1 4.1Å; W18-L22 HydrophobicContact CB-CG 4.03Å; W18-L22 VanDerWaalsContact CD1-CD1 3.49Å; W18-L22 HydrophobicContact CD2-CD1 3.56Å; W18-L22 HydrophobicContact CD2-CG 4.31Å; W18-L22 HydrophobicContact CE3-CD1 4.27Å; W18-L22 HydrophobicContact CG-CD1 3.45Å; W18-L22 VanDerWaalsContact CG-CD1 3.45Å; W18-L22 HydrophobicContact CG-CG 3.94Å; W18-L22 HydrophobicContact CZ2-CD1 4.44Å; A20-L22 VanDerWaalsContact C-N 3.33Å; A20-L22 HydrophobicContact CB-CD2 4.13Å; A20-L22 PolarHBondContact O-N 3.02Å; L22-I25 HydrophobicContact CD2-CD1 4.39Å; L22-I25 PolarHBondContact O-N 3.34Å; L22-K26 WeakPolarHBondContact O-CB 3.47Å; L22-K26 PolarHBondContact O-N 2.99Å
23N96.7Very high96Very high135 Ų135104.6 Ų104.672%0.72254%0.544SS*.Hα-helixtrans-63.4-45.7176.6-73.3-23.5000110.8N21 K26 S27N21-N23 VanDerWaalsContact C-N 3.27Å; N21-N23 PolarHBondContact O-N 3.33Å; N21-N23 PolarHBondContact OD1-N 3.08Å; N23-K26 PolarHBondContact O-N 3.4Å; N23-S27 PolarHBondContact O-N 3.21Å; N23-S27 PolarHBondContact O-OG 3.05Å
24A97.7Very high95.9Very high36 Ų3699.3 Ų99.330%0.29853%0.526SS..Hα-helixtrans-65.6-43.9176.600000112.3N21 K26 S27 C28N21-A24 HydrophobicContact CB-CB 4.05Å; N21-A24 VanDerWaalsContact CG-CB 3.42Å; N21-A24 PolarHBondContact O-N 2.77Å; N21-A24 WeakPolarHBondContact OD1-CB 3.5Å; N21-A24 PolarHBondContact OD1-N 2.74Å; A24-K26 VanDerWaalsContact C-N 3.28Å; A24-K26 PolarHBondContact O-N 2.65Å; A24-S27 WeakPolarHBondContact CA-OG 3.49Å; A24-S27 PolarHBondContact O-N 3.11Å; A24-S27 PolarHBondContact O-OG 3.21Å; A24-C28 WeakPolarHBondContact O-CB 3.45Å; A24-C28 PolarHBondContact O-N 3.38Å; A24-C28 PolarHBondContact O-SG 3.14Å; A24-C28 VanDerWaalsContact O-SG 3.39Å
25I97Very high95.7Very high69 Ų69101.7 Ų101.735%0.35452%0.519SS..Hα-helixtrans-58.8-43.9176.9-67.4166.5000110.2A20 N21 L22 C28 W29 I32A20-I25 HydrophobicContact CB-CD1 4.11Å; N21-I25 WeakPolarHBondContact O-CG1 3.47Å; N21-I25 PolarHBondContact O-N 2.81Å; L22-I25 HydrophobicContact CD2-CD1 4.39Å; L22-I25 PolarHBondContact O-N 3.34Å; I25-C28 CarbonylContact O-C 3.58Å; I25-C28 PolarHBondContact O-N 3.46Å; I25-W29 HydrophobicContact CG2-CE3 4.32Å; I25-W29 WeakPolarHBondContact O-CA 3.12Å; I25-W29 PolarHBondContact O-N 2.97Å; I25-I32 HydrophobicContact CG2-CD1 4.21Å
26K97Very high95.5Very high174 Ų17497.3 Ų97.376%0.75750%0.504SS*.Hα-helixtrans-65-45.6177.7-175.4178.8178.1-178.10112L22 N23 A24 C28L22-K26 WeakPolarHBondContact O-CB 3.47Å; L22-K26 PolarHBondContact O-N 2.99Å; N23-K26 PolarHBondContact O-N 3.4Å; A24-K26 VanDerWaalsContact C-N 3.28Å; A24-K26 PolarHBondContact O-N 2.65Å; K26-C28 VanDerWaalsContact C-N 3.26Å; K26-C28 PolarHBondContact O-N 2.81Å
27S98.1Very high95.3Very high87 Ų8797.4 Ų97.461%0.60851%0.511SS*.Hα-helixtrans-68.1-27.2179.160.60000113.2N23 A24N23-S27 PolarHBondContact O-N 3.21Å; N23-S27 PolarHBondContact O-OG 3.05Å; A24-S27 WeakPolarHBondContact CA-OG 3.49Å; A24-S27 PolarHBondContact O-N 3.11Å; A24-S27 PolarHBondContact O-OG 3.21Å
28C97.1Very high95.1Very high50 Ų5099 Ų9934%0.33852%0.523SS..THydrogen-bonded Turntrans-105.914.7-175.9-60.80000113.5A24 I25 K26 N30 Q31 I32A24-C28 WeakPolarHBondContact O-CB 3.45Å; A24-C28 PolarHBondContact O-N 3.38Å; A24-C28 PolarHBondContact O-SG 3.14Å; A24-C28 VanDerWaalsContact O-SG 3.39Å; I25-C28 CarbonylContact O-C 3.58Å; I25-C28 PolarHBondContact O-N 3.46Å; K26-C28 VanDerWaalsContact C-N 3.26Å; K26-C28 PolarHBondContact O-N 2.81Å; C28-N30 VanDerWaalsContact C-N 3.31Å; C28-N30 PolarHBondContact O-N 2.66Å; C28-Q31 PolarHBondContact O-N 2.77Å; C28-Q31 VanDerWaalsContact O-N 3.07Å; C28-Q31 PolarHBondContact O-OE1 2.97Å; C28-Q31 VanDerWaalsContact O-OE1 3.11Å; C28-I32 HydrophobicContact CB-CD1 4.26Å; C28-I32 WeakPolarHBondContact O-CG1 3.28Å; C28-I32 PolarHBondContact O-N 2.67Å
29W97.1Very high95Very high149 Ų14995.8 Ų95.856%0.56452%0.515SS*.Hα-helixtrans-54.9-46.5-172.2-177.3-102.8000112.4I25 Q31 I32 T33I25-W29 HydrophobicContact CG2-CE3 4.32Å; I25-W29 WeakPolarHBondContact O-CA 3.12Å; I25-W29 PolarHBondContact O-N 2.97Å; W29-Q31 VanDerWaalsContact C-N 3.3Å; W29-Q31 PolarHBondContact O-N 2.84Å; W29-I32 PolarHBondContact O-N 3.2Å; W29-I32 VanDerWaalsContact O-N 3.13Å; W29-T33 HydrophobicContact CD2-CG2 3.98Å; W29-T33 HydrophobicContact CE3-CG2 4.47Å; W29-T33 HydrophobicContact CG-CG2 4.47Å; W29-T33 HydrophobicContact CH2-CG2 4.16Å; W29-T33 HydrophobicContact CZ2-CG2 3.62Å; W29-T33 PolarHBondContact O-N 2.8Å; W29-T33 PolarHBondContact O-OG1 3.39Å; W29-T33 VanDerWaalsContact O-OG1 3.09Å
30N96.1Very high94.8Very high129 Ų12994.5 Ų94.569%0.6952%0.515SS*.Hα-helixtrans-63-35.3-179.7-68-19.1000112.7C28 G34C28-N30 VanDerWaalsContact C-N 3.31Å; C28-N30 PolarHBondContact O-N 2.66Å; N30-G34 WeakPolarHBondContact O-CA 3.29Å; N30-G34 PolarHBondContact O-N 2.97Å
31Q94.7Very high94.6Very high135 Ų13596.3 Ų96.363%0.63154%0.536SS*.Hα-helixtrans-71.2-37175.9-64.885.3-13.500111.5C28 W29C28-Q31 PolarHBondContact O-N 2.77Å; C28-Q31 VanDerWaalsContact O-N 3.07Å; C28-Q31 PolarHBondContact O-OE1 2.97Å; C28-Q31 VanDerWaalsContact O-OE1 3.11Å; W29-Q31 VanDerWaalsContact C-N 3.3Å; W29-Q31 PolarHBondContact O-N 2.84Å
32I95Very high94.7Very high102 Ų10299.3 Ų99.352%0.52354%0.539SS..Hα-helixtrans-70.6-41.2179.5-66.4165.2000111.1I25 C28 W29I25-I32 HydrophobicContact CG2-CD1 4.21Å; C28-I32 HydrophobicContact CB-CD1 4.26Å; C28-I32 WeakPolarHBondContact O-CG1 3.28Å; C28-I32 PolarHBondContact O-N 2.67Å; W29-I32 PolarHBondContact O-N 3.2Å; W29-I32 VanDerWaalsContact O-N 3.13Å
33T93.8Very high94.7Very high84 Ų8499.7 Ų99.752%0.51555%0.545SS..Hα-helixtrans-88.7-12.7-178.161.20000113.9W29W29-T33 HydrophobicContact CD2-CG2 3.98Å; W29-T33 HydrophobicContact CE3-CG2 4.47Å; W29-T33 HydrophobicContact CG-CG2 4.47Å; W29-T33 HydrophobicContact CH2-CG2 4.16Å; W29-T33 HydrophobicContact CZ2-CG2 3.62Å; W29-T33 PolarHBondContact O-N 2.8Å; W29-T33 PolarHBondContact O-OG1 3.39Å; W29-T33 VanDerWaalsContact O-OG1 3.09Å
34G92.8Very high94.8Very high44 Ų4498.5 Ų98.545%0.45453%0.533SS..SBendtrans-88.6177178.500000112.9N30N30-G34 WeakPolarHBondContact O-CA 3.29Å; N30-G34 PolarHBondContact O-N 2.97Å
35F92Very high94.7Very high109 Ų109101.3 Ų101.348%0.47854%0.543SS..  trans-122.3133.1167.9-165.2-90.9000109.1T37 L39 Y70F35-T37 PolarHBondContact O-N 3.21Å; F35-L39 HydrophobicContact CE1-CB 4.31Å; F35-L39 HydrophobicContact CE1-CD1 4.13Å; F35-L39 HydrophobicContact CZ-CD1 4.13Å; F35-Y70 HydrophobicContact CD1-CE2 4.07Å; F35-Y70 HydrophobicContact CE1-CD1 4.14Å; F35-Y70 AromaticContact CE1-CD2 3.93Å; F35-Y70 HydrophobicContact CE1-CD2 3.93Å; F35-Y70 AromaticContact CE1-CE1 3.76Å; F35-Y70 HydrophobicContact CE1-CE1 3.76Å; F35-Y70 AromaticContact CE1-CE2 3.52Å; F35-Y70 HydrophobicContact CE1-CE2 3.52Å; F35-Y70 HydrophobicContact CE1-CG 4.23Å; F35-Y70 AromaticContact CE1-CZ 3.43Å; F35-Y70 VanDerWaalsContact CE1-CZ 3.43Å; F35-Y70 HydrophobicContact CZ-CD1 4.37Å; F35-Y70 AromaticContact CZ-CD2 3.99Å; F35-Y70 HydrophobicContact CZ-CD2 3.99Å; F35-Y70 HydrophobicContact CZ-CE1 4.43Å; F35-Y70 HydrophobicContact CZ-CE2 4.06Å; F35-Y70 HydrophobicContact CZ-CG 4.16Å
36P91.1Very high94.7Very high60 Ų60103.5 Ų103.539%0.3955%0.552SS.*  trans-61.6124.6-175.622.5-33.7000112.3D38 L39P36-D38 WeakPolarHBondContact CB-OD1 3.5Å; P36-L39 HydrophobicContact CB-CD1 4.43Å; P36-L39 HydrophobicContact CB-CG 4.12Å; P36-L39 HydrophobicContact CG-CD1 3.5Å; P36-L39 HydrophobicContact CG-CG 3.72Å; P36-L39 PolarHBondContact O-N 3.01Å
37T89.4Confident94.6Very high125 Ų12598.6 Ų98.677%0.76754%0.538SS*.G310 helixtrans-77.2-21.9-177.9520000113.1F35 L39 N40F35-T37 PolarHBondContact O-N 3.21Å; T37-L39 PolarHBondContact O-N 3.27Å; T37-N40 WeakPolarHBondContact O-CB 3.45Å; T37-N40 PolarHBondContact O-N 3.07Å; T37-N40 VanDerWaalsContact O-N 3.11Å
38D93.3Very high94.6Very high126 Ų12695.7 Ų95.767%0.67452%0.517SS*.G310 helixtrans-71.2-11174.462.8-48.3000113.2P36 N40P36-D38 WeakPolarHBondContact CB-OD1 3.5Å; D38-N40 VanDerWaalsContact C-N 3.26Å
39L93.5Very high94.6Very high60 Ų6094.8 Ų94.831%0.31451%0.508SS..G310 helixtrans-80-3.7167.8-63.5-169.4000113.5F35 P36 T37 G41 R42 Y70F35-L39 HydrophobicContact CE1-CB 4.31Å; F35-L39 HydrophobicContact CE1-CD1 4.13Å; F35-L39 HydrophobicContact CZ-CD1 4.13Å; P36-L39 HydrophobicContact CB-CD1 4.43Å; P36-L39 HydrophobicContact CB-CG 4.12Å; P36-L39 HydrophobicContact CG-CD1 3.5Å; P36-L39 HydrophobicContact CG-CG 3.72Å; P36-L39 PolarHBondContact O-N 3.01Å; T37-L39 PolarHBondContact O-N 3.27Å; L39-G41 PolarHBondContact O-N 2.8Å; L39-R42 HydrophobicContact CD2-CG 4.43Å; L39-R42 WeakPolarHBondContact O-CA 3.4Å; L39-R42 WeakPolarHBondContact O-CB 3.43Å; L39-R42 WeakPolarHBondContact O-CG 3.39Å; L39-R42 PolarHBondContact O-N 2.87Å; L39-Y70 HydrophobicContact CB-CE1 4.26Å
40N91.1Very high94.5Very high104 Ų10490.1 Ų90.156%0.55649%0.492SS*.THydrogen-bonded Turntrans-59.4129.4-179.5-164.615.3000111.1T37 D38 R42 K69T37-N40 WeakPolarHBondContact O-CB 3.45Å; T37-N40 PolarHBondContact O-N 3.07Å; T37-N40 VanDerWaalsContact O-N 3.11Å; D38-N40 VanDerWaalsContact C-N 3.26Å; N40-R42 VanDerWaalsContact C-N 3.27Å; N40-R42 PolarHBondContact O-N 2.83Å; N40-K69 VanDerWaalsContact OD1-CE 3.22Å; N40-K69 WeakPolarHBondContact OD1-CE 3.36Å; N40-K69 PolarHBondContact OD1-NZ 3.13Å
41G92.6Very high94.5Very high65 Ų6586.1 Ų86.167%0.6747%0.472SS*.THydrogen-bonded Turntrans83.1-6.3-172.900000114.8L39L39-G41 PolarHBondContact O-N 2.8Å
42R96.3Very high94.5Very high168 Ų16880.2 Ų80.263%0.63445%0.446SS*.  trans-84.9143.5171.2-53.5-65.3-68.6-78.1-1.7110L39 N40 Y70L39-R42 HydrophobicContact CD2-CG 4.43Å; L39-R42 WeakPolarHBondContact O-CA 3.4Å; L39-R42 WeakPolarHBondContact O-CB 3.43Å; L39-R42 WeakPolarHBondContact O-CG 3.39Å; L39-R42 PolarHBondContact O-N 2.87Å; N40-R42 VanDerWaalsContact C-N 3.27Å; N40-R42 PolarHBondContact O-N 2.83Å; R42-Y70 WeakPolarHBondContact O-CD1 3.42Å
43V97.2Very high94.4Very high83 Ų8375.7 Ų75.750%0.50342%0.424SS..  trans-134.2133.5-177.8178.60000108.7N45 P72V43-N45 HydrophobicContact CG1-CB 4.29Å; V43-P72 HydrophobicContact CG1-CG 3.47Å; V43-P72 VanDerWaalsContact CG1-CG 3.47Å
44F97.5Very high94.1Very high110 Ų11073.6 Ų73.648%0.48241%0.413SS..  trans-96.293.6167.6-174-101.6000108.8Q46 V48 Y70 F71F44-Q46 HydrophobicContact CD1-CB 4.08Å; F44-Q46 HydrophobicContact CE1-CB 3.53Å; F44-Q46 HydrophobicContact CE1-CG 4.26Å; F44-Q46 HydrophobicContact CE2-CG 4.45Å; F44-Q46 HydrophobicContact CZ-CB 3.8Å; F44-Q46 HydrophobicContact CZ-CG 4.06Å; F44-Q46 PolarHBondContact O-N 3.42Å; F44-Q46 VanDerWaalsContact O-N 3.08Å; F44-V48 HydrophobicContact CD1-CG2 3.57Å; F44-V48 HydrophobicContact CE1-CG2 3.66Å; F44-Y70 PolarHBondContact N-O 3.41Å; F44-F71 HydrophobicContact CB-CD1 3.75Å; F44-F71 HydrophobicContact CB-CE1 3.86Å; F44-F71 AromaticContact CD1-CD1 3.99Å; F44-F71 HydrophobicContact CD1-CD1 3.99Å; F44-F71 HydrophobicContact CD1-CE1 4.26Å; F44-F71 HydrophobicContact CG-CD1 4.27Å; F44-F71 HydrophobicContact CG-CE1 4.3Å
45N96.4Very high93.5Very high95 Ų9577.3 Ų77.351%0.50842%0.422SS..  trans-87.850.5-173.1-164.837.7000112.5V43 Q73V43-N45 HydrophobicContact CG1-CB 4.29Å; N45-Q73 PolarHBondContact O-NE2 3.04Å; N45-Q73 PolarHBondContact OD1-NE2 2.95Å
46Q95.8Very high92.8Very high115 Ų11573.2 Ų73.254%0.53741%0.411SS..SBendtrans-128.3160.5173.3-64.4-64.8-37.100109F44 V48F44-Q46 HydrophobicContact CD1-CB 4.08Å; F44-Q46 HydrophobicContact CE1-CB 3.53Å; F44-Q46 HydrophobicContact CE1-CG 4.26Å; F44-Q46 HydrophobicContact CE2-CG 4.45Å; F44-Q46 HydrophobicContact CZ-CB 3.8Å; F44-Q46 HydrophobicContact CZ-CG 4.06Å; F44-Q46 PolarHBondContact O-N 3.42Å; F44-Q46 VanDerWaalsContact O-N 3.08Å; Q46-V48 PolarHBondContact O-N 3.09Å
47P95.7Very high92.3Very high70 Ų7080 Ų8046%0.45543%0.434SS..  trans-54.3135173.7-2635.4000111.4F101P47-F101 HydrophobicContact CB-CE2 3.88Å; P47-F101 HydrophobicContact CB-CZ 3.97Å
48V97Very high92.1Very high27 Ų2782.4 Ų82.416%0.16443%0.431CS..EExtended strand (participates in β ladder)trans-137.1134.2175.8176.90000108.9F44 Q46 F50 F71 S74 K75F44-V48 HydrophobicContact CD1-CG2 3.57Å; F44-V48 HydrophobicContact CE1-CG2 3.66Å; Q46-V48 PolarHBondContact O-N 3.09Å; V48-F50 HydrophobicContact CB-CE2 4.31Å; V48-F50 HydrophobicContact CG1-CD2 3.81Å; V48-F50 HydrophobicContact CG1-CE2 3.38Å; V48-F50 HydrophobicContact CG1-CZ 4.08Å; V48-F71 HydrophobicContact CB-CB 4.49Å; V48-F71 HydrophobicContact CG2-CB 4.42Å; V48-F71 HydrophobicContact CG2-CD1 3.82Å; V48-F71 HydrophobicContact CG2-CG 4.44Å; V48-S74 CarbonylContact O-C 3.54Å; V48-S74 WeakPolarHBondContact O-CA 3.34Å; V48-K75 PolarHBondContact O-N 3.3Å
49L97Very high91.9Very high31 Ų3177.7 Ų77.716%0.16241%0.405CS..EExtended strand (participates in β ladder)trans-108.7120.7173.2-179.861.3000110V51 K75 V77 L97 F101 F107L49-V51 HydrophobicContact CD1-CG2 4.49Å; L49-V51 HydrophobicContact CD2-CG2 3.94Å; L49-V51 HydrophobicContact CG-CG2 3.83Å; L49-K75 HydrophobicContact CD1-CB 4.1Å; L49-V77 HydrophobicContact CD1-CG1 4.06Å; L49-V77 HydrophobicContact CD1-CG2 4.02Å; L49-L97 HydrophobicContact CD2-CB 4.33Å; L49-F101 HydrophobicContact CB-CD1 4.16Å; L49-F101 HydrophobicContact CB-CD2 3.89Å; L49-F101 HydrophobicContact CB-CE1 4.25Å; L49-F101 HydrophobicContact CB-CE2 3.99Å; L49-F101 HydrophobicContact CB-CG 3.98Å; L49-F101 HydrophobicContact CB-CZ 4.17Å; L49-F101 HydrophobicContact CD2-CB 3.92Å; L49-F101 HydrophobicContact CD2-CD2 4.46Å; L49-F101 HydrophobicContact CD2-CG 4.1Å; L49-F107 HydrophobicContact CD1-CE1 3.87Å; L49-F107 HydrophobicContact CD1-CZ 4.17Å; L49-F107 HydrophobicContact CD2-CE1 4.16Å; L49-F107 HydrophobicContact CD2-CZ 3.89Å
50F96.6Very high91.5Very high51 Ų5175.9 Ų75.922%0.22440%0.401CS..EExtended strand (participates in β ladder)trans-97.9123.3166.8-70.1-99.4000108.8V48 L59 V67 F71 K75 I76 V77V48-F50 HydrophobicContact CB-CE2 4.31Å; V48-F50 HydrophobicContact CG1-CD2 3.81Å; V48-F50 HydrophobicContact CG1-CE2 3.38Å; V48-F50 HydrophobicContact CG1-CZ 4.08Å; F50-L59 HydrophobicContact CB-CD2 3.92Å; F50-L59 HydrophobicContact CD1-CD2 4.16Å; F50-L59 HydrophobicContact CG-CD2 4.34Å; F50-V67 HydrophobicContact CD2-CG1 3.92Å; F50-V67 HydrophobicContact CE1-CG1 4.26Å; F50-V67 HydrophobicContact CE1-CG2 4.45Å; F50-V67 HydrophobicContact CE2-CG1 3.43Å; F50-V67 VanDerWaalsContact CE2-CG1 3.43Å; F50-V67 HydrophobicContact CZ-CG1 3.64Å; F50-V67 HydrophobicContact CZ-CG2 4.49Å; F50-F71 HydrophobicContact CE2-CB 4.28Å; F50-F71 HydrophobicContact CE2-CD2 4.04Å; F50-F71 HydrophobicContact CE2-CG 4.21Å; F50-F71 AromaticContact CZ-CD2 3.65Å; F50-F71 HydrophobicContact CZ-CD2 3.65Å; F50-F71 AromaticContact CZ-CE2 3.9Å; F50-F71 HydrophobicContact CZ-CE2 3.9Å; F50-F71 HydrophobicContact CZ-CG 4.21Å; F50-K75 PolarHBondContact N-O 3.03Å; F50-I76 HydrophobicContact CB-CB 4.35Å; F50-I76 HydrophobicContact CB-CG1 4.07Å; F50-I76 HydrophobicContact CB-CG2 4.18Å; F50-I76 HydrophobicContact CD2-CG1 4.1Å; F50-I76 HydrophobicContact CG-CG1 4.31Å; F50-V77 WeakPolarHBondContact O-CG2 3.37Å; F50-V77 PolarHBondContact O-N 2.88Å
51V95.5Very high91.4Very high44 Ų4477 Ų7727%0.26740%0.403SS..EExtended strand (participates in β ladder)trans-112.4112.8176.3-173.50000108.6L49 V77 I79 V86 L97L49-V51 HydrophobicContact CD1-CG2 4.49Å; L49-V51 HydrophobicContact CD2-CG2 3.94Å; L49-V51 HydrophobicContact CG-CG2 3.83Å; V51-V77 HydrophobicContact CB-CG2 4.33Å; V51-V77 HydrophobicContact CG1-CG2 4.29Å; V51-V77 HydrophobicContact CG2-CG2 4.05Å; V51-I79 HydrophobicContact CG1-CD1 3.67Å; V51-I79 HydrophobicContact CG1-CG1 3.98Å; V51-V86 HydrophobicContact CG1-CG2 4.25Å; V51-L97 HydrophobicContact CG1-CD1 4.14Å; V51-L97 HydrophobicContact CG2-CD1 4.38Å
52A94.4Very high91.4Very high11 Ų1178.7 Ų78.79%0.09141%0.405CS..EExtended strand (participates in β ladder)trans-114.5162-178.400000111.5L59 V77 Q78 I79A52-L59 HydrophobicContact CB-CB 4.24Å; A52-L59 HydrophobicContact CB-CD2 4.13Å; A52-V77 PolarHBondContact N-O 3.42Å; A52-Q78 HydrophobicContact CB-CG 4.06Å; A52-Q78 VanDerWaalsContact O-CA 3.3Å; A52-Q78 WeakPolarHBondContact O-CA 3.21Å; A52-I79 PolarHBondContact O-N 2.93Å
53A93.2Very high91.2Very high7 Ų773.5 Ų73.56%0.05839%0.39CS..EExtended strand (participates in β ladder)trans-82.2142.9171.700000110.5D55 G56 T82 G83 V86A53-D55 PolarHBondContact O-N 2.99Å; A53-G56 PolarHBondContact O-N 3.25Å; A53-T82 VanDerWaalsContact CA-OG1 3.32Å; A53-T82 WeakPolarHBondContact CA-OG1 3.45Å; A53-G83 WeakPolarHBondContact CB-O 3.43Å; A53-V86 HydrophobicContact CB-CG1 3.75Å
54S87.4Confident91Very high40 Ų4070 Ų7028%0.2837%0.368SS..THydrogen-bonded Turntrans-58.3-35.9173.960.30000112.1I79 N81S54-I79 WeakPolarHBondContact CB-O 3.48Å; S54-I79 PolarHBondContact N-O 3.39Å; S54-I79 VanDerWaalsContact N-O 3.16Å; S54-I79 PolarHBondContact OG-O 2.73Å; S54-N81 PolarHBondContact OG-N 2.92Å
55D80.2Confident90.9Very high122 Ų12269.1 Ų69.165%0.65237%0.373SS*.THydrogen-bonded Turntrans-99.78.6-175.5-56.1-0.8000111.5A53 T82A53-D55 PolarHBondContact O-N 2.99Å; D55-T82 PolarHBondContact N-O 3.44Å
56G76.4Confident90.8Very high23 Ų2367.1 Ų67.124%0.23737%0.37CS..  trans-77.9141-17400000113.4A53A53-G56 PolarHBondContact O-N 3.25Å
57K81.2Confident90.8Very high204 Ų20462.3 Ų62.389%0.88735%0.348SS*.SBendtrans-96.72.6175.1-61.1-174.5-179.6-177.70114.5
58Y85.1Confident90.8Very high175 Ų17562.2 Ų62.269%0.68634%0.339SS*.SBendtrans-93.6-20.4-170.5-72.2-90.7000114.4H84Y58-H84 AromaticContact CD2-CE1 3.15Å; Y58-H84 WeakPolarHBondContact CD2-CE1 3.07Å; Y58-H84 AromaticContact CD2-ND1 3.17Å; Y58-H84 WeakPolarHBondContact CD2-ND1 2.88Å; Y58-H84 AromaticContact CE2-CE1 2.88Å; Y58-H84 WeakPolarHBondContact CE2-CE1 3.17Å; Y58-H84 AromaticContact CE2-CG 3.78Å; Y58-H84 AromaticContact CE2-ND1 3.07Å; Y58-H84 WeakPolarHBondContact CE2-ND1 3.15Å; Y58-H84 AromaticContact CE2-NE2 3.48Å; Y58-H84 WeakPolarHBondContact CE2-NE2 2.95Å; Y58-H84 AromaticContact CG-CE1 3.82Å; Y58-H84 AromaticContact CZ-CE1 3.33Å; Y58-H84 AromaticContact CZ-ND1 3.98Å; Y58-H84 AromaticContact CZ-NE2 3.6Å
59L89.7Confident90.7Very high26 Ų2665.8 Ų65.814%0.13635%0.352CS..SBendtrans-143.197.8175.8-174.867.4000108.5F50 A52 D63 V67 I76F50-L59 HydrophobicContact CB-CD2 3.92Å; F50-L59 HydrophobicContact CD1-CD2 4.16Å; F50-L59 HydrophobicContact CG-CD2 4.34Å; A52-L59 HydrophobicContact CB-CB 4.24Å; A52-L59 HydrophobicContact CB-CD2 4.13Å; L59-D63 HydrophobicContact CD1-CB 3.87Å; L59-V67 HydrophobicContact CD1-CG2 3.85Å; L59-I76 HydrophobicContact CD2-CG2 3.6Å; L59-I76 HydrophobicContact CG-CG2 4.43Å
60G85.1Confident90.7Very high23 Ų2366 Ų6624%0.23735%0.351CS..  trans-114.1-176.9179.100000113S62 D63G60-S62 PolarHBondContact O-N 2.98Å; G60-D63 PolarHBondContact N-OD2 3.26Å; G60-D63 WeakPolarHBondContact O-CB 3.3Å; G60-D63 PolarHBondContact O-N 3.38Å
61Q88.7Confident90.7Very high126 Ų12666.1 Ų66.159%0.58935%0.352SS*.THydrogen-bonded Turntrans-59.9-31.6-178.7-69.7-64.257.400113.8D63 L64Q61-D63 PolarHBondContact O-N 2.94Å; Q61-L64 PolarHBondContact O-N 3.29Å
62S92.1Very high90.8Very high101 Ų10166.9 Ų66.971%0.70636%0.358SS*.THydrogen-bonded Turntrans-66.5-23177.149.70000113.7G60G60-S62 PolarHBondContact O-N 2.98Å
63D92.5Very high90.8Very high60 Ų6070.5 Ų70.532%0.32137%0.373SS..THydrogen-bonded Turntrans-89.4-21-175-53.8-49.9000111.9L59 G60 Q61 A66 V67L59-D63 HydrophobicContact CD1-CB 3.87Å; G60-D63 PolarHBondContact N-OD2 3.26Å; G60-D63 WeakPolarHBondContact O-CB 3.3Å; G60-D63 PolarHBondContact O-N 3.38Å; Q61-D63 PolarHBondContact O-N 2.94Å; D63-A66 WeakPolarHBondContact O-CB 3.22Å; D63-A66 PolarHBondContact O-N 3.07Å; D63-V67 PolarHBondContact O-N 3.3Å
64L94.2Very high91Very high9 Ų970.6 Ų70.65%0.04737%0.373CS..Hα-helixtrans-55.8-44.4-176.1-53.2-167.7000113.2Q61 A66 V67 R68 I76 I118Q61-L64 PolarHBondContact O-N 3.29Å; L64-A66 PolarHBondContact O-N 3.25Å; L64-V67 PolarHBondContact O-N 3.29Å; L64-V67 VanDerWaalsContact O-N 3.16Å; L64-R68 WeakPolarHBondContact O-CB 3.23Å; L64-R68 VanDerWaalsContact O-CG 3.28Å; L64-R68 WeakPolarHBondContact O-CG 3.45Å; L64-R68 PolarHBondContact O-N 3.38Å; L64-I76 HydrophobicContact CD2-CD1 3.56Å; L64-I76 HydrophobicContact CD2-CG2 4.2Å; L64-I118 HydrophobicContact CD1-CG2 3.85Å
65P94.7Very high91.3Very high92 Ų9271.5 Ų71.560%0.59737%0.372SS*.Hα-helixtrans-58.3-38177.9-25.336.1000112.7K69P65-K69 WeakPolarHBondContact O-CB 3.37Å; P65-K69 PolarHBondContact O-N 3.02Å
66A93.9Very high92.1Very high52 Ų5265.7 Ų65.743%0.4334%0.341SS..Hα-helixtrans-70.2-43.8176.500000111.3D63 L64 K69 Y70D63-A66 WeakPolarHBondContact O-CB 3.22Å; D63-A66 PolarHBondContact O-N 3.07Å; L64-A66 PolarHBondContact O-N 3.25Å; A66-K69 WeakPolarHBondContact O-CB 3.33Å; A66-K69 PolarHBondContact O-N 3.21Å; A66-Y70 WeakPolarHBondContact O-CD2 3.36Å; A66-Y70 PolarHBondContact O-N 3.46Å
67V95.6Very high93Very high15 Ų1564.6 Ų64.69%0.09133%0.329CS..Hα-helixtrans-59-49.9175.6173.80000110.9F50 L59 D63 L64 K69 Y70 F71 I76F50-V67 HydrophobicContact CD2-CG1 3.92Å; F50-V67 HydrophobicContact CE1-CG1 4.26Å; F50-V67 HydrophobicContact CE1-CG2 4.45Å; F50-V67 HydrophobicContact CE2-CG1 3.43Å; F50-V67 VanDerWaalsContact CE2-CG1 3.43Å; F50-V67 HydrophobicContact CZ-CG1 3.64Å; F50-V67 HydrophobicContact CZ-CG2 4.49Å; L59-V67 HydrophobicContact CD1-CG2 3.85Å; D63-V67 PolarHBondContact O-N 3.3Å; L64-V67 PolarHBondContact O-N 3.29Å; L64-V67 VanDerWaalsContact O-N 3.16Å; V67-K69 VanDerWaalsContact C-N 3.27Å; V67-K69 PolarHBondContact O-N 3Å; V67-Y70 PolarHBondContact O-N 2.9Å; V67-F71 HydrophobicContact CG1-CD2 4.31Å; V67-F71 WeakPolarHBondContact O-CA 3.47Å; V67-F71 WeakPolarHBondContact O-CB 3.46Å; V67-F71 WeakPolarHBondContact O-CD2 3.3Å; V67-F71 PolarHBondContact O-N 3.25Å; V67-I76 HydrophobicContact CB-CD1 4.16Å; V67-I76 HydrophobicContact CG1-CD1 3.68Å; V67-I76 HydrophobicContact CG1-CG1 4.31Å
68R95.6Very high93.6Very high67 Ų6757.2 Ų57.225%0.25330%0.298SS..Hα-helixtrans-63.9-31.6-179.6-62.9-57.3-175.7-156.46.5112.8L64 P72 S74 I118L64-R68 WeakPolarHBondContact O-CB 3.23Å; L64-R68 VanDerWaalsContact O-CG 3.28Å; L64-R68 WeakPolarHBondContact O-CG 3.45Å; L64-R68 PolarHBondContact O-N 3.38Å; R68-P72 WeakPolarHBondContact O-CA 3.31Å; R68-S74 PolarHBondContact NH1-O 3.16Å; R68-S74 PolarHBondContact NH1-OG 3.19Å; R68-I118 PolarHBondContact NH2-O 2.87Å
69K95.5Very high94.1Very high103 Ų10348.9 Ų48.945%0.44827%0.265SS..Hα-helixtrans-60.9-42.7174.8177.5-177.9175.4-177.10112.3N40 P65 A66 V67N40-K69 VanDerWaalsContact OD1-CE 3.22Å; N40-K69 WeakPolarHBondContact OD1-CE 3.36Å; N40-K69 PolarHBondContact OD1-NZ 3.13Å; P65-K69 WeakPolarHBondContact O-CB 3.37Å; P65-K69 PolarHBondContact O-N 3.02Å; A66-K69 WeakPolarHBondContact O-CB 3.33Å; A66-K69 PolarHBondContact O-N 3.21Å; V67-K69 VanDerWaalsContact C-N 3.27Å; V67-K69 PolarHBondContact O-N 3Å
70Y96.8Very high94.4Very high36 Ų3649.6 Ų49.614%0.14128%0.275CS..Hα-helixtrans-90.5-29.5-179.3-63-69.7000113F35 L39 R42 F44 A66 V67F35-Y70 HydrophobicContact CD1-CE2 4.07Å; F35-Y70 HydrophobicContact CE1-CD1 4.14Å; F35-Y70 AromaticContact CE1-CD2 3.93Å; F35-Y70 HydrophobicContact CE1-CD2 3.93Å; F35-Y70 AromaticContact CE1-CE1 3.76Å; F35-Y70 HydrophobicContact CE1-CE1 3.76Å; F35-Y70 AromaticContact CE1-CE2 3.52Å; F35-Y70 HydrophobicContact CE1-CE2 3.52Å; F35-Y70 HydrophobicContact CE1-CG 4.23Å; F35-Y70 AromaticContact CE1-CZ 3.43Å; F35-Y70 VanDerWaalsContact CE1-CZ 3.43Å; F35-Y70 HydrophobicContact CZ-CD1 4.37Å; F35-Y70 AromaticContact CZ-CD2 3.99Å; F35-Y70 HydrophobicContact CZ-CD2 3.99Å; F35-Y70 HydrophobicContact CZ-CE1 4.43Å; F35-Y70 HydrophobicContact CZ-CE2 4.06Å; F35-Y70 HydrophobicContact CZ-CG 4.16Å; L39-Y70 HydrophobicContact CB-CE1 4.26Å; R42-Y70 WeakPolarHBondContact O-CD1 3.42Å; F44-Y70 PolarHBondContact N-O 3.41Å; A66-Y70 WeakPolarHBondContact O-CD2 3.36Å; A66-Y70 PolarHBondContact O-N 3.46Å; V67-Y70 PolarHBondContact O-N 2.9Å
71F97Very high94.7Very high52 Ų5255.9 Ų55.923%0.22830%0.303CS..  trans-131.273.9-173.1-51-77.2000110.7F44 V48 F50 V67 Q73 S74F44-F71 HydrophobicContact CB-CD1 3.75Å; F44-F71 HydrophobicContact CB-CE1 3.86Å; F44-F71 AromaticContact CD1-CD1 3.99Å; F44-F71 HydrophobicContact CD1-CD1 3.99Å; F44-F71 HydrophobicContact CD1-CE1 4.26Å; F44-F71 HydrophobicContact CG-CD1 4.27Å; F44-F71 HydrophobicContact CG-CE1 4.3Å; V48-F71 HydrophobicContact CB-CB 4.49Å; V48-F71 HydrophobicContact CG2-CB 4.42Å; V48-F71 HydrophobicContact CG2-CD1 3.82Å; V48-F71 HydrophobicContact CG2-CG 4.44Å; F50-F71 HydrophobicContact CE2-CB 4.28Å; F50-F71 HydrophobicContact CE2-CD2 4.04Å; F50-F71 HydrophobicContact CE2-CG 4.21Å; F50-F71 AromaticContact CZ-CD2 3.65Å; F50-F71 HydrophobicContact CZ-CD2 3.65Å; F50-F71 AromaticContact CZ-CE2 3.9Å; F50-F71 HydrophobicContact CZ-CE2 3.9Å; F50-F71 HydrophobicContact CZ-CG 4.21Å; V67-F71 HydrophobicContact CG1-CD2 4.31Å; V67-F71 WeakPolarHBondContact O-CA 3.47Å; V67-F71 WeakPolarHBondContact O-CB 3.46Å; V67-F71 WeakPolarHBondContact O-CD2 3.3Å; V67-F71 PolarHBondContact O-N 3.25Å; F71-Q73 VanDerWaalsContact C-N 3.26Å; F71-Q73 PolarHBondContact O-N 3.4Å; F71-S74 VanDerWaalsContact O-CB 3.27Å; F71-S74 WeakPolarHBondContact O-CB 3.41Å; F71-S74 PolarHBondContact O-N 3.3Å; F71-S74 PolarHBondContact O-OG 2.94Å
72P96.7Very high94.8Very high61 Ų6150 Ų5040%0.39628%0.276SS..THydrogen-bonded Turntrans-65.5-26.1-17225.5-36.7000113.9V43 R68 S74V43-P72 HydrophobicContact CG1-CG 3.47Å; V43-P72 VanDerWaalsContact CG1-CG 3.47Å; R68-P72 WeakPolarHBondContact O-CA 3.31Å; P72-S74 VanDerWaalsContact C-N 3.33Å
73Q95.7Very high94.6Very high86 Ų8646.6 Ų46.640%0.40226%0.257SS..THydrogen-bonded Turntrans-95.316.9176.7-59.7-178.428.300112.9N45 F71N45-Q73 PolarHBondContact O-NE2 3.04Å; N45-Q73 PolarHBondContact OD1-NE2 2.95Å; F71-Q73 VanDerWaalsContact C-N 3.26Å; F71-Q73 PolarHBondContact O-N 3.4Å
74S96.4Very high94.3Very high9 Ų948.4 Ų48.46%0.06326%0.263CS..EExtended strand (participates in β ladder)trans-67.7151.1-179.548.80000111.7V48 R68 F71 P72V48-S74 CarbonylContact O-C 3.54Å; V48-S74 WeakPolarHBondContact O-CA 3.34Å; R68-S74 PolarHBondContact NH1-O 3.16Å; R68-S74 PolarHBondContact NH1-OG 3.19Å; F71-S74 VanDerWaalsContact O-CB 3.27Å; F71-S74 WeakPolarHBondContact O-CB 3.41Å; F71-S74 PolarHBondContact O-N 3.3Å; F71-S74 PolarHBondContact O-OG 2.94Å; P72-S74 VanDerWaalsContact C-N 3.33Å
75K95.4Very high94.1Very high60 Ų6052.4 Ų52.426%0.26128%0.277SS..EExtended strand (participates in β ladder)trans-112.8137157.6-64.5-163.7177.6-167.30107.6V48 L49 F50 F107 P109V48-K75 PolarHBondContact O-N 3.3Å; L49-K75 HydrophobicContact CD1-CB 4.1Å; F50-K75 PolarHBondContact N-O 3.03Å; K75-F107 HydrophobicContact CD-CD1 4.02Å; K75-F107 HydrophobicContact CD-CE1 4.1Å; K75-F107 PolarHBondContact NZ-O 3.29Å; K75-P109 HydrophobicContact CD-CG 3.91Å
76I95.3Very high94Very high0 Ų048.9 Ų48.90%025%0.254CS..EExtended strand (participates in β ladder)trans-121.9119.8-176.3-57.5168.2000106.2F50 L59 L64 V67 E117 I118F50-I76 HydrophobicContact CB-CB 4.35Å; F50-I76 HydrophobicContact CB-CG1 4.07Å; F50-I76 HydrophobicContact CB-CG2 4.18Å; F50-I76 HydrophobicContact CD2-CG1 4.1Å; F50-I76 HydrophobicContact CG-CG1 4.31Å; L59-I76 HydrophobicContact CD2-CG2 3.6Å; L59-I76 HydrophobicContact CG-CG2 4.43Å; L64-I76 HydrophobicContact CD2-CD1 3.56Å; L64-I76 HydrophobicContact CD2-CG2 4.2Å; V67-I76 HydrophobicContact CB-CD1 4.16Å; V67-I76 HydrophobicContact CG1-CD1 3.68Å; V67-I76 HydrophobicContact CG1-CG1 4.31Å; I76-E117 CarbonylContact O-C 3.56Å; I76-E117 WeakPolarHBondContact O-CA 3.33Å; I76-I118 HydrophobicContact CG2-CB 4.31Å; I76-I118 HydrophobicContact CG2-CD1 4Å; I76-I118 HydrophobicContact CG2-CG1 4.27Å; I76-I118 PolarHBondContact O-N 2.9Å
77V95.5Very high94Very high0 Ų052 Ų520%026%0.26CS..EExtended strand (participates in β ladder)trans-128.7147.5-173.2-54.40000111.2L49 F50 V51 A52 L97 P109 V115 T116L49-V77 HydrophobicContact CD1-CG1 4.06Å; L49-V77 HydrophobicContact CD1-CG2 4.02Å; F50-V77 WeakPolarHBondContact O-CG2 3.37Å; F50-V77 PolarHBondContact O-N 2.88Å; V51-V77 HydrophobicContact CB-CG2 4.33Å; V51-V77 HydrophobicContact CG1-CG2 4.29Å; V51-V77 HydrophobicContact CG2-CG2 4.05Å; A52-V77 PolarHBondContact N-O 3.42Å; V77-L97 HydrophobicContact CG2-CD1 4.24Å; V77-P109 HydrophobicContact CG1-CB 3.45Å; V77-P109 VanDerWaalsContact CG1-CB 3.45Å; V77-P109 HydrophobicContact CG1-CG 3.84Å; V77-V115 HydrophobicContact CB-CG1 3.55Å; V77-V115 HydrophobicContact CG1-CG1 4.04Å; V77-V115 HydrophobicContact CG2-CG1 3.98Å; V77-T116 CarbonylContact C-O 3.58Å; V77-T116 VanDerWaalsContact CA-O 3.3Å; V77-T116 WeakPolarHBondContact CA-O 3.43Å
78Q95.1Very high93.9Very high48 Ų4858.5 Ų58.522%0.22429%0.287CS..EExtended strand (participates in β ladder)trans-113.8133.9171.5-83.3168.7-21.200110.2A52 V115 T116 I118A52-Q78 HydrophobicContact CB-CG 4.06Å; A52-Q78 VanDerWaalsContact O-CA 3.3Å; A52-Q78 WeakPolarHBondContact O-CA 3.21Å; Q78-V115 CarbonylContact O-C 3.47Å; Q78-V115 VanDerWaalsContact O-CA 3.31Å; Q78-V115 WeakPolarHBondContact O-CA 3.45Å; Q78-T116 PolarHBondContact N-O 2.95Å; Q78-T116 PolarHBondContact O-N 3.16Å; Q78-I118 HydrophobicContact CG-CD1 3.64Å; Q78-I118 HydrophobicContact CG-CG1 4.1Å
79I95.6Very high93.8Very high0 Ų059 Ų590%030%0.295CS..EExtended strand (participates in β ladder)trans-91.8125.2170.7-53179.9000108.4V51 A52 S54 T82 V86 A90 T93 V94 L97 V115V51-I79 HydrophobicContact CG1-CD1 3.67Å; V51-I79 HydrophobicContact CG1-CG1 3.98Å; A52-I79 PolarHBondContact O-N 2.93Å; S54-I79 WeakPolarHBondContact CB-O 3.48Å; S54-I79 PolarHBondContact N-O 3.39Å; S54-I79 VanDerWaalsContact N-O 3.16Å; S54-I79 PolarHBondContact OG-O 2.73Å; I79-T82 HydrophobicContact CB-CG2 3.95Å; I79-T82 HydrophobicContact CG2-CG2 3.66Å; I79-T82 PolarHBondContact O-OG1 3.48Å; I79-V86 HydrophobicContact CD1-CB 4.31Å; I79-A90 HydrophobicContact CD1-CB 4.41Å; I79-A90 HydrophobicContact CG2-CB 3.84Å; I79-T93 HydrophobicContact CD1-CG2 3.87Å; I79-T93 HydrophobicContact CG1-CG2 4.2Å; I79-T93 HydrophobicContact CG2-CG2 4.08Å; I79-V94 HydrophobicContact CD1-CG2 3.55Å; I79-L97 HydrophobicContact CD1-CD1 3.97Å; I79-L97 HydrophobicContact CG1-CD1 4.18Å; I79-V115 HydrophobicContact CG1-CG2 4.36Å
80A94.3Very high93.8Very high41 Ų4154.7 Ų54.734%0.33928%0.278SS..THydrogen-bonded Turntrans-63.1148.7179.500000112T82 D114A80-T82 PolarHBondContact O-N 3.23Å; A80-D114 PolarHBondContact N-O 3.08Å
81N91.9Very high93.8Very high155 Ų15556 Ų5683%0.82929%0.291SS*.THydrogen-bonded Turntrans58.132.6175.5-48.7-55.5000113.9S54S54-N81 PolarHBondContact OG-N 2.92Å
82T91.8Very high93.8Very high3 Ų359.3 Ų59.32%0.01831%0.312CS..  trans-116140.4176.858.50000111A53 D55 I79 A80 D89 A90A53-T82 VanDerWaalsContact CA-OG1 3.32Å; A53-T82 WeakPolarHBondContact CA-OG1 3.45Å; D55-T82 PolarHBondContact N-O 3.44Å; I79-T82 HydrophobicContact CB-CG2 3.95Å; I79-T82 HydrophobicContact CG2-CG2 3.66Å; I79-T82 PolarHBondContact O-OG1 3.48Å; A80-T82 PolarHBondContact O-N 3.23Å; T82-D89 HydrophobicContact CG2-CB 3.8Å; T82-A90 HydrophobicContact CG2-CB 3.74Å
83G88.1Confident93.8Very high29 Ų2957.4 Ų57.430%0.29930%0.299SS..  trans-86.4-162.8167.700000110.9A53 W85 D89A53-G83 WeakPolarHBondContact CB-O 3.43Å; G83-W85 PolarHBondContact O-N 3.46Å; G83-D89 WeakPolarHBondContact CA-OD2 3.31Å; G83-D89 PolarHBondContact N-OD2 3.49Å
84H85.5Confident93.9Very high98 Ų9854.1 Ų54.145%0.45428%0.284SS..SBendtrans-57.1-25-170.4-176.141.2000115.2Y58Y58-H84 AromaticContact CD2-CE1 3.15Å; Y58-H84 WeakPolarHBondContact CD2-CE1 3.07Å; Y58-H84 AromaticContact CD2-ND1 3.17Å; Y58-H84 WeakPolarHBondContact CD2-ND1 2.88Å; Y58-H84 AromaticContact CE2-CE1 2.88Å; Y58-H84 WeakPolarHBondContact CE2-CE1 3.17Å; Y58-H84 AromaticContact CE2-CG 3.78Å; Y58-H84 AromaticContact CE2-ND1 3.07Å; Y58-H84 WeakPolarHBondContact CE2-ND1 3.15Å; Y58-H84 AromaticContact CE2-NE2 3.48Å; Y58-H84 WeakPolarHBondContact CE2-NE2 2.95Å; Y58-H84 AromaticContact CG-CE1 3.82Å; Y58-H84 AromaticContact CZ-CE1 3.33Å; Y58-H84 AromaticContact CZ-ND1 3.98Å; Y58-H84 AromaticContact CZ-NE2 3.6Å
85W89.2Confident93.9Very high93 Ų9357.4 Ų57.435%0.35230%0.304SS..  trans-110.476-176.5-61.6-31000111.3M1 G83 H87 F88 D89M1-W85 HydrophobicContact CE-CH2 4.48Å; M1-W85 HydrophobicContact CE-CZ2 4.21Å; G83-W85 PolarHBondContact O-N 3.46Å; W85-H87 PolarHBondContact O-N 3.48Å; W85-F88 HydrophobicContact CB-CB 3.91Å; W85-F88 WeakPolarHBondContact O-CA 3.32Å; W85-F88 WeakPolarHBondContact O-CB 3.3Å; W85-F88 PolarHBondContact O-N 3Å; W85-D89 PolarHBondContact O-N 2.75Å
86V93.9Very high94Very high19 Ų1958.8 Ų58.812%0.11531%0.314CS..Hα-helixtrans-51.1-35.6-178.6-660000114.5V51 A53 I79 F88 A90 V94V51-V86 HydrophobicContact CG1-CG2 4.25Å; A53-V86 HydrophobicContact CB-CG1 3.75Å; I79-V86 HydrophobicContact CD1-CB 4.31Å; V86-F88 VanDerWaalsContact C-N 3.29Å; V86-F88 PolarHBondContact O-N 2.91Å; V86-A90 CarbonylContact O-C 3.39Å; V86-A90 WeakPolarHBondContact O-CA 3.4Å; V86-A90 PolarHBondContact O-N 3.33Å; V86-V94 HydrophobicContact CB-CG2 4.08Å; V86-V94 HydrophobicContact CG2-CG2 4.06Å; V86-V94 WeakPolarHBondContact O-CG2 3.29Å
87H93.9Very high94.1Very high118 Ų11858.8 Ų58.855%0.54631%0.314SS..Hα-helixtrans-74.4-20.8179.460.9-83.5000113W85 P91 V94W85-H87 PolarHBondContact O-N 3.48Å; H87-P91 WeakPolarHBondContact O-CA 3.34Å; H87-P91 WeakPolarHBondContact O-CB 3.42Å; H87-V94 HydrophobicContact CB-CG1 4.23Å; H87-V94 HydrophobicContact CB-CG2 4.5Å
88F92.7Very high94.1Very high150 Ų15062.9 Ų62.966%0.65834%0.335SS*.Hα-helixtrans-86.8-43.9172.4179-94.6000110.9W85 V86W85-F88 HydrophobicContact CB-CB 3.91Å; W85-F88 WeakPolarHBondContact O-CA 3.32Å; W85-F88 WeakPolarHBondContact O-CB 3.3Å; W85-F88 PolarHBondContact O-N 3Å; V86-F88 VanDerWaalsContact C-N 3.29Å; V86-F88 PolarHBondContact O-N 2.91Å
89D93.5Very high94.2Very high77 Ų7763.6 Ų63.641%0.41234%0.343SS..Hα-helixtrans-75.9-36.1-176.4-64-29.7000112.6T82 G83 W85T82-D89 HydrophobicContact CG2-CB 3.8Å; G83-D89 WeakPolarHBondContact CA-OD2 3.31Å; G83-D89 PolarHBondContact N-OD2 3.49Å; W85-D89 PolarHBondContact O-N 2.75Å
90A95.2Very high94.3Very high13 Ų1365.6 Ų65.611%0.10736%0.357CS..SBendtrans-13561.8-177.400000112.2I79 T82 V86 N92 T93 V94I79-A90 HydrophobicContact CD1-CB 4.41Å; I79-A90 HydrophobicContact CG2-CB 3.84Å; T82-A90 HydrophobicContact CG2-CB 3.74Å; V86-A90 CarbonylContact O-C 3.39Å; V86-A90 WeakPolarHBondContact O-CA 3.4Å; V86-A90 PolarHBondContact O-N 3.33Å; A90-N92 VanDerWaalsContact C-N 3.32Å; A90-N92 PolarHBondContact O-N 2.86Å; A90-T93 PolarHBondContact O-N 3.11Å; A90-V94 WeakPolarHBondContact O-CG2 3.37Å; A90-V94 PolarHBondContact O-N 2.99Å
91P96.6Very high94.4Very high63 Ų6366.2 Ų66.241%0.40935%0.353SS..Hα-helixtrans-59.6-39.4-172.222.6-33.7000113.3H87 T95H87-P91 WeakPolarHBondContact O-CA 3.34Å; H87-P91 WeakPolarHBondContact O-CB 3.42Å; P91-T95 WeakPolarHBondContact O-CB 3.47Å; P91-T95 PolarHBondContact O-N 3.47Å; P91-T95 PolarHBondContact O-OG1 2.87Å
92N96.9Very high94.6Very high123 Ų12365.7 Ų65.766%0.65835%0.347SS*.Hα-helixtrans-68.5-46.4180-68.3-21.4000111.3A90 V94 T95 N96A90-N92 VanDerWaalsContact C-N 3.32Å; A90-N92 PolarHBondContact O-N 2.86Å; N92-V94 PolarHBondContact O-N 3.28Å; N92-T95 PolarHBondContact O-N 3Å; N92-N96 WeakPolarHBondContact O-CB 3.44Å; N92-N96 PolarHBondContact O-N 3.38Å; N92-N96 PolarHBondContact O-ND2 3.45Å
93T96.9Very high94.8Very high20 Ų2072.3 Ų72.312%0.12338%0.381CS..Hα-helixtrans-61.2-45.7178.3-52.20000110.9I79 A90 T95 N96 L97 D114 V115I79-T93 HydrophobicContact CD1-CG2 3.87Å; I79-T93 HydrophobicContact CG1-CG2 4.2Å; I79-T93 HydrophobicContact CG2-CG2 4.08Å; A90-T93 PolarHBondContact O-N 3.11Å; T93-T95 PolarHBondContact O-N 3.48Å; T93-N96 PolarHBondContact O-N 2.88Å; T93-L97 HydrophobicContact CG2-CD1 4.07Å; T93-L97 HydrophobicContact CG2-CG 4.44Å; T93-L97 WeakPolarHBondContact O-CB 3.15Å; T93-L97 WeakPolarHBondContact O-CG 3.38Å; T93-L97 PolarHBondContact O-N 3.32Å; T93-D114 WeakPolarHBondContact CB-OD2 3.46Å; T93-D114 WeakPolarHBondContact CG2-OD2 3.48Å; T93-D114 PolarHBondContact OG1-OD2 2.92Å; T93-V115 HydrophobicContact CG2-CG2 3.73Å
94V97.3Very high95Very high17 Ų1774.4 Ų74.410%0.10339%0.385CS..Hα-helixtrans-60.2-47176.1171.60000111.4I79 V86 H87 A90 N92 N96 L97 I98I79-V94 HydrophobicContact CD1-CG2 3.55Å; V86-V94 HydrophobicContact CB-CG2 4.08Å; V86-V94 HydrophobicContact CG2-CG2 4.06Å; V86-V94 WeakPolarHBondContact O-CG2 3.29Å; H87-V94 HydrophobicContact CB-CG1 4.23Å; H87-V94 HydrophobicContact CB-CG2 4.5Å; A90-V94 WeakPolarHBondContact O-CG2 3.37Å; A90-V94 PolarHBondContact O-N 2.99Å; N92-V94 PolarHBondContact O-N 3.28Å; V94-N96 PolarHBondContact O-N 3.48Å; V94-L97 PolarHBondContact O-N 3.39Å; V94-I98 HydrophobicContact CG1-CD1 3.71Å; V94-I98 HydrophobicContact CG1-CG1 4.48Å; V94-I98 VanDerWaalsContact O-CG1 3.29Å; V94-I98 WeakPolarHBondContact O-CG1 3.38Å; V94-I98 PolarHBondContact O-N 3.07Å
95T97.3Very high94.9Very high79 Ų7980.2 Ų80.249%0.48541%0.409SS..Hα-helixtrans-62.4-43.6179.8-58.20000111.6P91 N92 T93 I98 T99P91-T95 WeakPolarHBondContact O-CB 3.47Å; P91-T95 PolarHBondContact O-N 3.47Å; P91-T95 PolarHBondContact O-OG1 2.87Å; N92-T95 PolarHBondContact O-N 3Å; T93-T95 PolarHBondContact O-N 3.48Å; T95-I98 PolarHBondContact O-N 2.85Å; T95-T99 VanDerWaalsContact O-CB 3.31Å; T95-T99 WeakPolarHBondContact O-CB 3.44Å; T95-T99 PolarHBondContact O-N 2.97Å; T95-T99 PolarHBondContact O-OG1 3.27Å
96N97.1Very high95Very high88 Ų8880.1 Ų80.147%0.47142%0.423SS..Hα-helixtrans-67.1-42.4178.7-69.2-17.4000111.5N92 T93 V94 I98 T99 S100 F112N92-N96 WeakPolarHBondContact O-CB 3.44Å; N92-N96 PolarHBondContact O-N 3.38Å; N92-N96 PolarHBondContact O-ND2 3.45Å; T93-N96 PolarHBondContact O-N 2.88Å; V94-N96 PolarHBondContact O-N 3.48Å; N96-I98 PolarHBondContact O-N 3.47Å; N96-T99 PolarHBondContact O-N 2.98Å; N96-S100 WeakPolarHBondContact O-CB 3.43Å; N96-S100 PolarHBondContact O-N 2.77Å; N96-S100 PolarHBondContact O-OG 3.41Å; N96-S100 VanDerWaalsContact O-OG 3.11Å; N96-F112 HydrophobicContact CB-CE1 3.65Å; N96-F112 HydrophobicContact CB-CZ 4.34Å
97L97.3Very high95Very high0 Ų079.9 Ų79.90%042%0.42CS..Hα-helixtrans-57.8-49.4174.8-81.1169.9000111.5L49 V51 V77 I79 T93 V94 F101 F107 F112 V115L49-L97 HydrophobicContact CD2-CB 4.33Å; V51-L97 HydrophobicContact CG1-CD1 4.14Å; V51-L97 HydrophobicContact CG2-CD1 4.38Å; V77-L97 HydrophobicContact CG2-CD1 4.24Å; I79-L97 HydrophobicContact CD1-CD1 3.97Å; I79-L97 HydrophobicContact CG1-CD1 4.18Å; T93-L97 HydrophobicContact CG2-CD1 4.07Å; T93-L97 HydrophobicContact CG2-CG 4.44Å; T93-L97 WeakPolarHBondContact O-CB 3.15Å; T93-L97 WeakPolarHBondContact O-CG 3.38Å; T93-L97 PolarHBondContact O-N 3.32Å; V94-L97 PolarHBondContact O-N 3.39Å; L97-F101 VanDerWaalsContact O-CB 3.23Å; L97-F101 WeakPolarHBondContact O-CB 3.32Å; L97-F101 PolarHBondContact O-N 3.48Å; L97-F107 HydrophobicContact CD2-CE2 4.25Å; L97-F107 HydrophobicContact CD2-CZ 3.92Å; L97-F112 HydrophobicContact CD2-CD1 4.06Å; L97-F112 HydrophobicContact CD2-CD2 3.81Å; L97-F112 HydrophobicContact CD2-CE1 3.98Å; L97-F112 HydrophobicContact CD2-CE2 3.77Å; L97-F112 HydrophobicContact CD2-CG 3.98Å; L97-F112 HydrophobicContact CD2-CZ 3.86Å; L97-F112 HydrophobicContact CG-CD1 4.11Å; L97-F112 HydrophobicContact CG-CE1 3.92Å; L97-F112 HydrophobicContact CG-CZ 4.17Å; L97-V115 HydrophobicContact CD1-CG2 4Å; L97-V115 HydrophobicContact CD2-CG1 4.46Å; L97-V115 HydrophobicContact CD2-CG2 4.32Å; L97-V115 HydrophobicContact CG-CG2 4.44Å
98I96.8Very high95Very high86 Ų8677.8 Ų77.844%0.44141%0.413SS..Hα-helixtrans-62.3-45.6178.8-67.3167.8000110.4V94 T95 N96 F101 M102V94-I98 HydrophobicContact CG1-CD1 3.71Å; V94-I98 HydrophobicContact CG1-CG1 4.48Å; V94-I98 VanDerWaalsContact O-CG1 3.29Å; V94-I98 WeakPolarHBondContact O-CG1 3.38Å; V94-I98 PolarHBondContact O-N 3.07Å; T95-I98 PolarHBondContact O-N 2.85Å; N96-I98 PolarHBondContact O-N 3.47Å; I98-F101 PolarHBondContact O-N 2.6Å; I98-M102 HydrophobicContact CG2-CG 4.37Å; I98-M102 WeakPolarHBondContact O-CB 3.36Å; I98-M102 WeakPolarHBondContact O-CG 3.39Å; I98-M102 PolarHBondContact O-N 2.91Å
99T97Very high95.1Very high64 Ų6470.7 Ų70.739%0.39338%0.382SS..Hα-helixtrans-63.6-49-178.4-58.70000111.2T95 N96 F101 M102 L103T95-T99 VanDerWaalsContact O-CB 3.31Å; T95-T99 WeakPolarHBondContact O-CB 3.44Å; T95-T99 PolarHBondContact O-N 2.97Å; T95-T99 PolarHBondContact O-OG1 3.27Å; N96-T99 PolarHBondContact O-N 2.98Å; T99-F101 VanDerWaalsContact C-N 3.34Å; T99-F101 PolarHBondContact O-N 2.77Å; T99-M102 PolarHBondContact O-N 2.77Å; T99-L103 HydrophobicContact CG2-CD1 3.61Å; T99-L103 HydrophobicContact CG2-CG 4.32Å; T99-L103 WeakPolarHBondContact O-CB 3.47Å; T99-L103 WeakPolarHBondContact O-CG 3.45Å; T99-L103 PolarHBondContact O-N 3.27Å
100S96.8Very high94.9Very high42 Ų4271.3 Ų71.329%0.29439%0.389SS..Hα-helixtrans-61.4-42.4176.8-63.20000111.5N96 M102 L103 D104N96-S100 WeakPolarHBondContact O-CB 3.43Å; N96-S100 PolarHBondContact O-N 2.77Å; N96-S100 PolarHBondContact O-OG 3.41Å; N96-S100 VanDerWaalsContact O-OG 3.11Å; S100-M102 VanDerWaalsContact C-N 3.31Å; S100-M102 PolarHBondContact O-N 2.84Å; S100-L103 PolarHBondContact O-N 3.27Å; S100-D104 VanDerWaalsContact O-CB 3.3Å; S100-D104 WeakPolarHBondContact O-CB 3.44Å; S100-D104 PolarHBondContact O-N 3.45Å
101F97.3Very high94.8Very high54 Ų5474.9 Ų74.924%0.23741%0.413CS..Hα-helixtrans-61.5-37.6176.8175.6-106.5000113.1P47 L49 L97 I98 T99 F107P47-F101 HydrophobicContact CB-CE2 3.88Å; P47-F101 HydrophobicContact CB-CZ 3.97Å; L49-F101 HydrophobicContact CB-CD1 4.16Å; L49-F101 HydrophobicContact CB-CD2 3.89Å; L49-F101 HydrophobicContact CB-CE1 4.25Å; L49-F101 HydrophobicContact CB-CE2 3.99Å; L49-F101 HydrophobicContact CB-CG 3.98Å; L49-F101 HydrophobicContact CB-CZ 4.17Å; L49-F101 HydrophobicContact CD2-CB 3.92Å; L49-F101 HydrophobicContact CD2-CD2 4.46Å; L49-F101 HydrophobicContact CD2-CG 4.1Å; L97-F101 VanDerWaalsContact O-CB 3.23Å; L97-F101 WeakPolarHBondContact O-CB 3.32Å; L97-F101 PolarHBondContact O-N 3.48Å; I98-F101 PolarHBondContact O-N 2.6Å; T99-F101 VanDerWaalsContact C-N 3.34Å; T99-F101 PolarHBondContact O-N 2.77Å; F101-F107 HydrophobicContact CB-CD1 4.36Å; F101-F107 HydrophobicContact CB-CD2 4.01Å; F101-F107 HydrophobicContact CB-CE1 4.48Å; F101-F107 HydrophobicContact CB-CE2 4.12Å; F101-F107 HydrophobicContact CB-CG 4.12Å; F101-F107 HydrophobicContact CB-CZ 4.36Å; F101-F107 AromaticContact CD2-CD1 3.8Å; F101-F107 HydrophobicContact CD2-CD1 3.8Å; F101-F107 HydrophobicContact CD2-CE1 4.22Å; F101-F107 HydrophobicContact CD2-CG 4.13Å
102M96Very high94.7Very high143 Ų14373.2 Ų73.270%0.70440%0.4SS*.Hα-helixtrans-78-34.3-179.4-70.1-65.7-129.500113.4I98 T99 S100I98-M102 HydrophobicContact CG2-CG 4.37Å; I98-M102 WeakPolarHBondContact O-CB 3.36Å; I98-M102 WeakPolarHBondContact O-CG 3.39Å; I98-M102 PolarHBondContact O-N 2.91Å; T99-M102 PolarHBondContact O-N 2.77Å; S100-M102 VanDerWaalsContact C-N 3.31Å; S100-M102 PolarHBondContact O-N 2.84Å
103L95.7Very high94.6Very high143 Ų14374.6 Ų74.675%0.74941%0.413SS*.Hα-helixtrans-95.5-28.3-172.7-63.3-179.6000113.6T99 S100T99-L103 HydrophobicContact CG2-CD1 3.61Å; T99-L103 HydrophobicContact CG2-CG 4.32Å; T99-L103 WeakPolarHBondContact O-CB 3.47Å; T99-L103 WeakPolarHBondContact O-CG 3.45Å; T99-L103 PolarHBondContact O-N 3.27Å; S100-L103 PolarHBondContact O-N 3.27Å
104D91.3Very high94.5Very high72 Ų7276.2 Ų76.239%0.38542%0.421SS..  trans-109.1113.2-174.6-1743.6000111.9S100 S106 F107S100-D104 VanDerWaalsContact O-CB 3.3Å; S100-D104 WeakPolarHBondContact O-CB 3.44Å; S100-D104 PolarHBondContact O-N 3.45Å; D104-S106 PolarHBondContact O-N 3.13Å; D104-S106 WeakPolarHBondContact OD1-CA 3.46Å; D104-S106 PolarHBondContact OD1-N 3.16Å; D104-S106 PolarHBondContact OD1-OG 2.81Å; D104-S106 PolarHBondContact OD2-OG 3.33Å; D104-F107 WeakPolarHBondContact O-CB 3.43Å; D104-F107 PolarHBondContact O-N 3.43Å
105K85.1Confident94.4Very high220 Ų22076 Ų7696%0.95742%0.419SS*.THydrogen-bonded Turntrans-64.7-19.8174.6-67.2-174.6178.8-1790113
106S90Very high94.3Very high92 Ų9276.6 Ų76.664%0.64342%0.423SS*.THydrogen-bonded Turntrans-99.619.2174.548.20000113.6D104 D108D104-S106 PolarHBondContact O-N 3.13Å; D104-S106 WeakPolarHBondContact OD1-CA 3.46Å; D104-S106 PolarHBondContact OD1-N 3.16Å; D104-S106 PolarHBondContact OD1-OG 2.81Å; D104-S106 PolarHBondContact OD2-OG 3.33Å; S106-D108 PolarHBondContact O-N 2.85Å; S106-D108 VanDerWaalsContact O-N 3.14Å
107F94.9Very high94.1Very high13 Ų1374.7 Ų74.76%0.05741%0.411CS..  trans-39.2119.4-179.2171.1-102.7000112.8L49 K75 L97 F101 D104 P109 F112L49-F107 HydrophobicContact CD1-CE1 3.87Å; L49-F107 HydrophobicContact CD1-CZ 4.17Å; L49-F107 HydrophobicContact CD2-CE1 4.16Å; L49-F107 HydrophobicContact CD2-CZ 3.89Å; K75-F107 HydrophobicContact CD-CD1 4.02Å; K75-F107 HydrophobicContact CD-CE1 4.1Å; K75-F107 PolarHBondContact NZ-O 3.29Å; L97-F107 HydrophobicContact CD2-CE2 4.25Å; L97-F107 HydrophobicContact CD2-CZ 3.92Å; F101-F107 HydrophobicContact CB-CD1 4.36Å; F101-F107 HydrophobicContact CB-CD2 4.01Å; F101-F107 HydrophobicContact CB-CE1 4.48Å; F101-F107 HydrophobicContact CB-CE2 4.12Å; F101-F107 HydrophobicContact CB-CG 4.12Å; F101-F107 HydrophobicContact CB-CZ 4.36Å; F101-F107 AromaticContact CD2-CD1 3.8Å; F101-F107 HydrophobicContact CD2-CD1 3.8Å; F101-F107 HydrophobicContact CD2-CE1 4.22Å; F101-F107 HydrophobicContact CD2-CG 4.13Å; D104-F107 WeakPolarHBondContact O-CB 3.43Å; D104-F107 PolarHBondContact O-N 3.43Å; F107-P109 HydrophobicContact CE1-CB 4.06Å; F107-P109 HydrophobicContact CE1-CG 4.27Å; F107-P109 HydrophobicContact CZ-CB 3.94Å; F107-F112 HydrophobicContact CE2-CE2 4.08Å
108D94Very high93.8Very high74 Ų7475.4 Ų75.440%0.39642%0.415SS..  trans-121.9110.1177.1-175.7-0.9000110S106 T110 S111S106-D108 PolarHBondContact O-N 2.85Å; S106-D108 VanDerWaalsContact O-N 3.14Å; D108-T110 PolarHBondContact O-N 3.05Å; D108-T110 WeakPolarHBondContact OD1-CB 3.09Å; D108-T110 WeakPolarHBondContact OD1-CG2 3.48Å; D108-T110 PolarHBondContact OD1-N 3.23Å; D108-T110 PolarHBondContact OD1-OG1 3.09Å; D108-T110 PolarHBondContact OD2-OG1 2.94Å; D108-S111 PolarHBondContact O-N 3.16Å; D108-S111 PolarHBondContact O-OG 3.34Å; D108-S111 VanDerWaalsContact O-OG 3.07Å
109P93.1Very high93.2Very high1 Ų180.4 Ų80.41%0.00643%0.434CS..G310 helixtrans-67.8-16.1-179.429.1-35.3000113.2K75 V77 F107 S111 F112 V115 E117K75-P109 HydrophobicContact CD-CG 3.91Å; V77-P109 HydrophobicContact CG1-CB 3.45Å; V77-P109 VanDerWaalsContact CG1-CB 3.45Å; V77-P109 HydrophobicContact CG1-CG 3.84Å; F107-P109 HydrophobicContact CE1-CB 4.06Å; F107-P109 HydrophobicContact CE1-CG 4.27Å; F107-P109 HydrophobicContact CZ-CB 3.94Å; P109-S111 PolarHBondContact O-N 3.38Å; P109-F112 PolarHBondContact O-N 3.11Å; P109-V115 HydrophobicContact CB-CG1 4.47Å; P109-E117 HydrophobicContact CG-CB 4.27Å; P109-E117 HydrophobicContact CG-CG 4.39Å
110T90.9Very high93Very high90 Ų9081.3 Ų81.355%0.55244%0.436SS*.G310 helixtrans-71.9-9.7178.971.30000113D108 F112D108-T110 PolarHBondContact O-N 3.05Å; D108-T110 WeakPolarHBondContact OD1-CB 3.09Å; D108-T110 WeakPolarHBondContact OD1-CG2 3.48Å; D108-T110 PolarHBondContact OD1-N 3.23Å; D108-T110 PolarHBondContact OD1-OG1 3.09Å; D108-T110 PolarHBondContact OD2-OG1 2.94Å; T110-F112 PolarHBondContact O-N 3.32Å
111S92.1Very high92.8Very high88 Ų8883.3 Ų83.362%0.61544%0.443SS*.G310 helixtrans-71.7-8.217273.70000113.7D108 P109D108-S111 PolarHBondContact O-N 3.16Å; D108-S111 PolarHBondContact O-OG 3.34Å; D108-S111 VanDerWaalsContact O-OG 3.07Å; P109-S111 PolarHBondContact O-N 3.38Å
112F95.5Very high92.5Very high28 Ų2884.9 Ų84.912%0.12346%0.455CS..  trans-102.7119.4-178.1-66.5-105.7000109.7N96 L97 F107 P109 T110 D114 V115N96-F112 HydrophobicContact CB-CE1 3.65Å; N96-F112 HydrophobicContact CB-CZ 4.34Å; L97-F112 HydrophobicContact CD2-CD1 4.06Å; L97-F112 HydrophobicContact CD2-CD2 3.81Å; L97-F112 HydrophobicContact CD2-CE1 3.98Å; L97-F112 HydrophobicContact CD2-CE2 3.77Å; L97-F112 HydrophobicContact CD2-CG 3.98Å; L97-F112 HydrophobicContact CD2-CZ 3.86Å; L97-F112 HydrophobicContact CG-CD1 4.11Å; L97-F112 HydrophobicContact CG-CE1 3.92Å; L97-F112 HydrophobicContact CG-CZ 4.17Å; F107-F112 HydrophobicContact CE2-CE2 4.08Å; P109-F112 PolarHBondContact O-N 3.11Å; T110-F112 PolarHBondContact O-N 3.32Å; F112-D114 VanDerWaalsContact C-N 3.27Å; F112-D114 PolarHBondContact O-N 3.29Å; F112-V115 HydrophobicContact CB-CB 3.67Å; F112-V115 HydrophobicContact CB-CG2 3.46Å; F112-V115 VanDerWaalsContact CB-CG2 3.46Å; F112-V115 HydrophobicContact CD1-CG2 4.48Å; F112-V115 HydrophobicContact CG-CG2 4.17Å; F112-V115 PolarHBondContact O-N 3.48Å
113T94.4Very high92.3Very high153 Ų15381.5 Ų81.594%0.93944%0.44SS*.THydrogen-bonded Turntrans-69.8-22.7-171.552.20000114.3
114D94.9Very high92.1Very high53 Ų5377.7 Ų77.728%0.28342%0.421SS..THydrogen-bonded Turntrans-10110.6-179.662.2-31.5000112.7A80 T93 F112A80-D114 PolarHBondContact N-O 3.08Å; T93-D114 WeakPolarHBondContact CB-OD2 3.46Å; T93-D114 WeakPolarHBondContact CG2-OD2 3.48Å; T93-D114 PolarHBondContact OG1-OD2 2.92Å; F112-D114 VanDerWaalsContact C-N 3.27Å; F112-D114 PolarHBondContact O-N 3.29Å
115V95.9Very high92.2Very high13 Ų1378.1 Ų78.18%0.07942%0.423CS..EExtended strand (participates in β ladder)trans-120.5136-175.9-179.30000110.4V77 Q78 I79 T93 L97 P109 F112V77-V115 HydrophobicContact CB-CG1 3.55Å; V77-V115 HydrophobicContact CG1-CG1 4.04Å; V77-V115 HydrophobicContact CG2-CG1 3.98Å; Q78-V115 CarbonylContact O-C 3.47Å; Q78-V115 VanDerWaalsContact O-CA 3.31Å; Q78-V115 WeakPolarHBondContact O-CA 3.45Å; I79-V115 HydrophobicContact CG1-CG2 4.36Å; T93-V115 HydrophobicContact CG2-CG2 3.73Å; L97-V115 HydrophobicContact CD1-CG2 4Å; L97-V115 HydrophobicContact CD2-CG1 4.46Å; L97-V115 HydrophobicContact CD2-CG2 4.32Å; L97-V115 HydrophobicContact CG-CG2 4.44Å; P109-V115 HydrophobicContact CB-CG1 4.47Å; F112-V115 HydrophobicContact CB-CB 3.67Å; F112-V115 HydrophobicContact CB-CG2 3.46Å; F112-V115 VanDerWaalsContact CB-CG2 3.46Å; F112-V115 HydrophobicContact CD1-CG2 4.48Å; F112-V115 HydrophobicContact CG-CG2 4.17Å; F112-V115 PolarHBondContact O-N 3.48Å
116T94.4Very high92.7Very high91 Ų9167.9 Ų67.956%0.55839%0.385SS*.EExtended strand (participates in β ladder)trans-118.1128171.9-60.20000109.9V77 Q78V77-T116 CarbonylContact C-O 3.58Å; V77-T116 VanDerWaalsContact CA-O 3.3Å; V77-T116 WeakPolarHBondContact CA-O 3.43Å; Q78-T116 PolarHBondContact N-O 2.95Å; Q78-T116 PolarHBondContact O-N 3.16Å
117E93.7Very high92.9Very high49 Ų4966.1 Ų66.123%0.22937%0.365CS..EExtended strand (participates in β ladder)trans-78.2127.2170.8-174.1-180-142.900110.2I76 P109 K119I76-E117 CarbonylContact O-C 3.56Å; I76-E117 WeakPolarHBondContact O-CA 3.33Å; P109-E117 HydrophobicContact CG-CB 4.27Å; P109-E117 HydrophobicContact CG-CG 4.39Å; E117-K119 VanDerWaalsContact OE2-CE 3.29Å; E117-K119 WeakPolarHBondContact OE2-CE 3.36Å
118I89.9Confident92.7Very high15 Ų1570.5 Ų70.58%0.07739%0.391CS..  trans-91.9128.4173.1-34.9179.3000109.2L64 R68 I76 Q78L64-I118 HydrophobicContact CD1-CG2 3.85Å; R68-I118 PolarHBondContact NH2-O 2.87Å; I76-I118 HydrophobicContact CG2-CB 4.31Å; I76-I118 HydrophobicContact CG2-CD1 4Å; I76-I118 HydrophobicContact CG2-CG1 4.27Å; I76-I118 PolarHBondContact O-N 2.9Å; Q78-I118 HydrophobicContact CG-CD1 3.64Å; Q78-I118 HydrophobicContact CG-CG1 4.1Å
119K83.7Confident92.6Very high191 Ų19170.2 Ų70.283%0.8339%0.39SS*.  trans-107.90-179.5-65.4-175.4-179.1178.80111.4E117E117-K119 VanDerWaalsContact OE2-CE 3.29Å; E117-K119 WeakPolarHBondContact OE2-CE 3.36Å

Retrieved 119 of 119 residues in 27.5 ms (Link to these results)

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