A0A673Y6Y7_SALTR Loading...

Large ribosomal subunit protein uL11

Component of the large ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell. Binds directly to 26S ribosomal RNA.

AlphaFold DB , UniProt , Accession A0A673Y6Y7, Species SALTR (Salmo trutta, Brown trout), Gene RPL12, Length 165 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
1M42.4Very low55.2Low236 Ų236123.5 Ų123.5100%1.16365%0.654SS**  0111.30-76.7170.3174.500107.4
2P43.9Very low56.9Low123 Ų123118.6 Ų118.680%0.79963%0.631SS**PPolyproline II helixtrans-69.2147.7178.7-6.623000109.6
3P58.5Low58.5Low123 Ų123111.9 Ų111.980%0.79960%0.598SS**PPolyproline II helixtrans-64144.2-168.227.1-33.6000111.4F5P3-F5 PolarHBondContact O-N 3.19Å
4K51.1Low59.6Low204 Ų204113.6 Ų113.689%0.88759%0.593SS**PPolyproline II helixtrans-46.4119173.4-126.2165.5178.5169.60108.8D6K4-D6 PolarHBondContact O-N 3.17Å; K4-D6 VanDerWaalsContact O-N 3.16Å
5F51.3Low60.5Low104 Ų104106.4 Ų106.446%0.45656%0.555SS.*  trans-65.5112.7177.6-142.3-94.5000108.5P3 P7 K11 L35P3-F5 PolarHBondContact O-N 3.19Å; F5-P7 WeakPolarHBondContact O-CD 3.34Å; F5-K11 HydrophobicContact CE1-CD 3.72Å; F5-K11 HydrophobicContact CE2-CD 4.4Å; F5-K11 VanDerWaalsContact CE2-NZ 3.27Å; F5-K11 HydrophobicContact CZ-CD 3.39Å; F5-L35 HydrophobicContact CE1-CD2 3.56Å; F5-L35 HydrophobicContact CE2-CD2 4.45Å; F5-L35 HydrophobicContact CZ-CD2 3.33Å; F5-L35 HydrophobicContact CZ-CG 4.26Å
6D52.5Low61.2Low112 Ų112111.6 Ų111.660%0.59957%0.565SS**  trans-61.8120.1175.1-82.6-69.2000109.6K4 N8 E9K4-D6 PolarHBondContact O-N 3.17Å; K4-D6 VanDerWaalsContact O-N 3.16Å; D6-N8 PolarHBondContact O-N 3.49Å; D6-N8 VanDerWaalsContact O-N 3.13Å; D6-E9 PolarHBondContact O-N 3.04Å
7P56.3Low61.6Low89 Ų89105.4 Ų105.458%0.57854%0.535SS*.THydrogen-bonded Turntrans-66.6-15.3-173.521.9-30.1000114.2F5 N66F5-P7 WeakPolarHBondContact O-CD 3.34Å; P7-N66 PolarHBondContact O-N 2.63Å; P7-N66 PolarHBondContact O-OD1 2.83Å
8N55.5Low62Low124 Ų124101.1 Ų101.166%0.66352%0.515SS*.THydrogen-bonded Turntrans-97.41179.1-105.10.6000114.5D6 T10D6-N8 PolarHBondContact O-N 3.49Å; D6-N8 VanDerWaalsContact O-N 3.13Å; N8-T10 PolarHBondContact O-N 3.48Å; N8-T10 VanDerWaalsContact O-N 3.15Å
9E61.5Low62.2Low103 Ų10395.8 Ų95.848%0.48149%0.488SS..  trans-76.9106.7179-159.2-174.316900110.1D6 K11D6-E9 PolarHBondContact O-N 3.04Å; E9-K11 HydrophobicContact CG-CG 4.47Å; E9-K11 PolarHBondContact O-N 3.08Å; E9-K11 WeakPolarHBondContact OE1-CE 3.11Å; E9-K11 IonicContact OE1-NZ 3.98Å; E9-K11 WeakPolarHBondContact OE2-CE 3.3Å; E9-K11 IonicContact OE2-NZ 2.84Å; E9-K11 PolarHBondContact OE2-NZ 2.74Å
10T64.7Low62.2Low85 Ų8592.2 Ų92.252%0.52148%0.475SS..  trans-64.498.5175-49.50000109.7N8 T63 V65N8-T10 PolarHBondContact O-N 3.48Å; N8-T10 VanDerWaalsContact O-N 3.15Å; T10-T63 HydrophobicContact CG2-CG2 3.38Å; T10-V65 HydrophobicContact CG2-CG2 3.94Å
11K69.4Low62.1Low56 Ų5693.5 Ų93.524%0.24348%0.479CS..EExtended strand (participates in β ladder)trans-96.5119.7176.6-74.3-179.6-173.9173.10110.2F5 E9 L35 I64F5-K11 HydrophobicContact CE1-CD 3.72Å; F5-K11 HydrophobicContact CE2-CD 4.4Å; F5-K11 VanDerWaalsContact CE2-NZ 3.27Å; F5-K11 HydrophobicContact CZ-CD 3.39Å; E9-K11 HydrophobicContact CG-CG 4.47Å; E9-K11 PolarHBondContact O-N 3.08Å; E9-K11 WeakPolarHBondContact OE1-CE 3.11Å; E9-K11 IonicContact OE1-NZ 3.98Å; E9-K11 WeakPolarHBondContact OE2-CE 3.3Å; E9-K11 IonicContact OE2-NZ 2.84Å; E9-K11 PolarHBondContact OE2-NZ 2.74Å; K11-L35 HydrophobicContact CD-CD2 4.18Å; K11-I64 PolarHBondContact N-O 3.08Å; K11-I64 VanDerWaalsContact N-O 3.17Å; K11-I64 PolarHBondContact O-N 2.86Å
12V75.9Confident63Low64 Ų6486.3 Ų86.339%0.38845%0.448SS..EExtended strand (participates in β ladder)trans-93.6114.4174.6-177.60000108.4Y14 K61 L62V12-Y14 HydrophobicContact CG1-CD2 4.44Å; V12-Y14 HydrophobicContact CG1-CE1 4.38Å; V12-Y14 HydrophobicContact CG1-CE2 3.8Å; V12-K61 HydrophobicContact CG1-CD 4.01Å; V12-K61 VanDerWaalsContact CG1-CE 3.47Å; V12-K61 HydrophobicContact CG1-CG 3.52Å; V12-L62 CarbonylContact C-O 3.55Å; V12-L62 WeakPolarHBondContact CA-O 3.16Å
13V76.8Confident63.7Low32 Ų3280.8 Ų80.819%0.19441%0.414CS..EExtended strand (participates in β ladder)trans-112.4122.1176.3-179.10000109.3K31 L35 L62 I64V13-K31 HydrophobicContact CG1-CB 4.37Å; V13-K31 HydrophobicContact CG1-CD 4.21Å; V13-L35 HydrophobicContact CG2-CD1 4.07Å; V13-L62 HydrophobicContact CB-CB 4.46Å; V13-L62 PolarHBondContact N-O 3.19Å; V13-L62 PolarHBondContact O-N 3Å; V13-I64 HydrophobicContact CG2-CD1 4.18Å
14Y74.6Confident63.7Low135 Ų13577.9 Ų77.953%0.52940%0.401SS..EExtended strand (participates in β ladder)trans-89.8128.1171.6-61.8-81.6000110.2V12 K31 K61V12-Y14 HydrophobicContact CG1-CD2 4.44Å; V12-Y14 HydrophobicContact CG1-CE1 4.38Å; V12-Y14 HydrophobicContact CG1-CE2 3.8Å; Y14-K31 PolarHBondContact O-NZ 3.43Å; Y14-K61 HydrophobicContact CD1-CB 4.01Å; Y14-K61 HydrophobicContact CD1-CG 4.11Å; Y14-K61 HydrophobicContact CE1-CB 3.86Å; Y14-K61 HydrophobicContact CE1-CD 3.81Å; Y14-K61 HydrophobicContact CE1-CG 3.61Å
15M72.8Confident64.1Low6 Ų671.9 Ų71.93%0.0338%0.381CS..EExtended strand (participates in β ladder)trans-137.9152.7175.974.9168.7-61.500112.7C17 L28 K31 I46 T59 V60 L62M15-C17 WeakPolarHBondContact CE-SG 3.16Å; M15-L28 HydrophobicContact CE-CD2 3.19Å; M15-L28 HydrophobicContact CE-CG 3.78Å; M15-L28 HydrophobicContact SD-CD2 3.39Å; M15-L28 WeakPolarHBondContact SD-CD2 3.33Å; M15-K31 HydrophobicContact CB-CD 4.09Å; M15-I46 HydrophobicContact SD-CD1 4.18Å; M15-T59 CarbonylContact O-C 3.25Å; M15-T59 WeakPolarHBondContact O-CA 3.33Å; M15-V60 HydrophobicContact CG-CB 4.38Å; M15-V60 PolarHBondContact N-O 3.16Å; M15-V60 PolarHBondContact O-N 2.98Å; M15-L62 HydrophobicContact CG-CD1 3.63Å; M15-L62 HydrophobicContact SD-CD1 3.33Å; M15-L62 WeakPolarHBondContact SD-CD1 3.43Å
16R71.6Confident64.5Low189 Ų18971.5 Ų71.571%0.71339%0.391SS*.EExtended strand (participates in β ladder)trans-98.6118.7173-73.3-159.5-79.1-176.3-6109.3I58 T59R16-I58 CarbonylContact C-O 3.56Å; R16-I58 WeakPolarHBondContact CA-O 3.23Å; R16-T59 HydrophobicContact CG-CG2 3.64Å
17C68.4Low65.1Low7 Ų769.1 Ų69.15%0.04739%0.388CS..EExtended strand (participates in β ladder)trans-113.5155176.7-69.30000110.4M15 I46 R57 I58 V60M15-C17 WeakPolarHBondContact CE-SG 3.16Å; C17-I46 HydrophobicContact CB-CG2 4.04Å; C17-R57 CarbonylContact O-C 3.59Å; C17-R57 WeakPolarHBondContact O-CA 3.18Å; C17-I58 PolarHBondContact N-O 3.43Å; C17-I58 PolarHBondContact O-N 3Å; C17-V60 HydrophobicContact CB-CG2 4.17Å
18T69.3Low65.5Low28 Ų2865 Ų6517%0.17236%0.361CS..EExtended strand (participates in β ladder)trans-83.2121.5162.8410000108.3L56 R57T18-L56 CarbonylContact C-O 3.59Å; T18-L56 WeakPolarHBondContact CA-O 3.4Å; T18-R57 HydrophobicContact CG2-CG 4.12Å
19G65.9Low65.8Low1 Ų161.2 Ų61.21%0.0135%0.347CS..THydrogen-bonded Turntrans-72.3146.5177.200000111.8E21 T50 W53 K54 G55 L56G19-E21 PolarHBondContact O-N 3.21Å; G19-T50 WeakPolarHBondContact CA-OG1 3.42Å; G19-W53 CarbonylContact C-O 3.06Å; G19-W53 VanDerWaalsContact C-O 3.25Å; G19-W53 VanDerWaalsContact CA-O 3.29Å; G19-W53 WeakPolarHBondContact CA-O 3.5Å; G19-K54 CarbonylContact O-C 3.58Å; G19-K54 WeakPolarHBondContact O-CA 3.34Å; G19-G55 PolarHBondContact O-N 3.25Å; G19-L56 PolarHBondContact N-O 2.87Å
20G61.3Low66.4Low23 Ų2360.9 Ų60.924%0.23735%0.353CS..THydrogen-bonded Turntrans68.92.6178.900000116.6T50G20-T50 PolarHBondContact N-O 3.44Å; G20-T50 VanDerWaalsContact N-O 3.1Å
21E61.3Low66.5Low119 Ų11961.4 Ų61.456%0.55635%0.348SS*.SBendtrans-124.4146.5165.8-83.6-173.7131.100109.4G19 G23G19-E21 PolarHBondContact O-N 3.21Å; E21-G23 PolarHBondContact O-N 3.09Å
22V59.8Low66.3Low85 Ų8559 Ų5952%0.51534%0.338SS..  trans-59.4110.2169-175.90000107A24 A47V22-A24 PolarHBondContact O-N 2.86Å; V22-A47 HydrophobicContact CG2-CB 4.29Å
23G60Low65.8Low8 Ų858.4 Ų58.48%0.08235%0.345CS..  trans-52.9136.8179.600000109.9E21 T25 L28E21-G23 PolarHBondContact O-N 3.09Å; G23-T25 PolarHBondContact O-N 3.3Å; G23-T25 VanDerWaalsContact O-N 3.1Å; G23-L28 WeakPolarHBondContact O-CD1 3.46Å
24A57.8Low65.4Low62 Ų6261.5 Ų61.551%0.51237%0.366SS..  trans-52.7124179.400000109.5V22 S26 A27 L28V22-A24 PolarHBondContact O-N 2.86Å; A24-S26 PolarHBondContact O-N 3.48Å; A24-A27 PolarHBondContact O-N 3.29Å; A24-L28 PolarHBondContact O-N 3.33Å
25T59.4Low65Low77 Ų7756 Ų5647%0.47235%0.346SS..Hα-helixtrans-51.2-29.6178.138.30000111.7G23 A27 L28 A29 P39G23-T25 PolarHBondContact O-N 3.3Å; G23-T25 VanDerWaalsContact O-N 3.1Å; T25-A27 PolarHBondContact O-N 2.96Å; T25-L28 PolarHBondContact O-N 3.18Å; T25-A29 WeakPolarHBondContact O-CB 3.3Å; T25-A29 PolarHBondContact O-N 3.33Å; T25-P39 HydrophobicContact CG2-CB 4.27Å; T25-P39 HydrophobicContact CG2-CG 4.46Å
26S60.7Low64.5Low96 Ų9658.5 Ų58.567%0.67137%0.373SS*.Hα-helixtrans-64.6-29.9175.6-39.40000114.9A24 P30A24-S26 PolarHBondContact O-N 3.48Å; S26-P30 VanDerWaalsContact O-CD 3.3Å; S26-P30 WeakPolarHBondContact O-CD 3.31Å
27A64.1Low64.4Low63 Ų6350.7 Ų50.752%0.52135%0.345SS..Hα-helixtrans-86.1-24.8177.200000112.4A24 T25A24-A27 PolarHBondContact O-N 3.29Å; T25-A27 PolarHBondContact O-N 2.96Å
28L65.1Low64.4Low2 Ų253.4 Ų53.41%0.0136%0.364CS..Hα-helixtrans-85-36.9179-78.1156.6000112.1M15 G23 A24 T25 K31 I32 P39 V42 I46M15-L28 HydrophobicContact CE-CD2 3.19Å; M15-L28 HydrophobicContact CE-CG 3.78Å; M15-L28 HydrophobicContact SD-CD2 3.39Å; M15-L28 WeakPolarHBondContact SD-CD2 3.33Å; G23-L28 WeakPolarHBondContact O-CD1 3.46Å; A24-L28 PolarHBondContact O-N 3.33Å; T25-L28 PolarHBondContact O-N 3.18Å; L28-K31 PolarHBondContact O-N 2.67Å; L28-I32 HydrophobicContact CB-CD1 4.05Å; L28-I32 HydrophobicContact CD2-CD1 3.39Å; L28-I32 HydrophobicContact CD2-CG1 4.5Å; L28-I32 HydrophobicContact CG-CD1 4.34Å; L28-I32 WeakPolarHBondContact O-CB 3.46Å; L28-I32 WeakPolarHBondContact O-CG1 3.44Å; L28-I32 PolarHBondContact O-N 3.35Å; L28-P39 HydrophobicContact CB-CB 4.28Å; L28-V42 HydrophobicContact CD2-CG1 4.41Å; L28-I46 HydrophobicContact CD2-CD1 4.13Å
29A62.6Low64.4Low45 Ų4554.2 Ų54.237%0.37237%0.37SS..Hα-helixtrans-57.4-41.1-174.100000115.4T25 K31 G33T25-A29 WeakPolarHBondContact O-CB 3.3Å; T25-A29 PolarHBondContact O-N 3.33Å; A29-K31 VanDerWaalsContact C-N 3.28Å; A29-K31 PolarHBondContact O-N 3.36Å; A29-G33 VanDerWaalsContact O-CA 3.28Å; A29-G33 WeakPolarHBondContact O-CA 3.28Å; A29-G33 PolarHBondContact O-N 3.42Å
30P72.6Confident64.7Low95 Ų9561.7 Ų61.762%0.61740%0.402SS*.Hα-helixtrans-66.9-28.6-178.9-20.432.5000113.4S26S26-P30 VanDerWaalsContact O-CD 3.3Å; S26-P30 WeakPolarHBondContact O-CD 3.31Å
31K67.5Low65.4Low96 Ų9667.7 Ų67.742%0.41742%0.422SS..Hα-helixtrans-93.9-33-177.9-68.8-172.4171-168.90112.9V13 Y14 M15 L28 A29 L35V13-K31 HydrophobicContact CG1-CB 4.37Å; V13-K31 HydrophobicContact CG1-CD 4.21Å; Y14-K31 PolarHBondContact O-NZ 3.43Å; M15-K31 HydrophobicContact CB-CD 4.09Å; L28-K31 PolarHBondContact O-N 2.67Å; A29-K31 VanDerWaalsContact C-N 3.28Å; A29-K31 PolarHBondContact O-N 3.36Å; K31-L35 WeakPolarHBondContact O-CD1 3.35Å
32I65.6Low65.9Low5 Ų562.2 Ų62.23%0.02640%0.396CS..Hα-helixtrans-95.7-24.1-175.4-60.6-176.7000111.5L28 L35 G36 L37 V42L28-I32 HydrophobicContact CB-CD1 4.05Å; L28-I32 HydrophobicContact CD2-CD1 3.39Å; L28-I32 HydrophobicContact CD2-CG1 4.5Å; L28-I32 HydrophobicContact CG-CD1 4.34Å; L28-I32 WeakPolarHBondContact O-CB 3.46Å; L28-I32 WeakPolarHBondContact O-CG1 3.44Å; L28-I32 PolarHBondContact O-N 3.35Å; I32-L35 PolarHBondContact O-N 3.34Å; I32-L35 VanDerWaalsContact O-N 3.08Å; I32-G36 PolarHBondContact O-N 2.86Å; I32-L37 HydrophobicContact CG2-CB 3.33Å; I32-L37 WeakPolarHBondContact CG2-O 3.42Å; I32-V42 HydrophobicContact CD1-CB 3.97Å; I32-V42 HydrophobicContact CD1-CG1 3.62Å; I32-V42 HydrophobicContact CD1-CG2 4.26Å
33G64.2Low66.5Low53 Ų5358.2 Ų58.255%0.54637%0.372SS..G310 helixtrans-52.5-49.2176.500000115.3A29 L35 G36A29-G33 VanDerWaalsContact O-CA 3.28Å; A29-G33 WeakPolarHBondContact O-CA 3.28Å; A29-G33 PolarHBondContact O-N 3.42Å; G33-L35 PolarHBondContact O-N 2.93Å; G33-G36 PolarHBondContact O-N 3.29Å
34P68.7Low67.3Low96 Ų9661.4 Ų61.462%0.62339%0.387SS*.G310 helixtrans-70.7-8.717926.8-33.9000114
35L65.9Low68.2Low21 Ų2162 Ų6211%0.1138%0.382CS..G310 helixtrans-102.7-1.2-176.8-73.1150.2000113F5 K11 V13 K31 I32 G33 L37 I64F5-L35 HydrophobicContact CE1-CD2 3.56Å; F5-L35 HydrophobicContact CE2-CD2 4.45Å; F5-L35 HydrophobicContact CZ-CD2 3.33Å; F5-L35 HydrophobicContact CZ-CG 4.26Å; K11-L35 HydrophobicContact CD-CD2 4.18Å; V13-L35 HydrophobicContact CG2-CD1 4.07Å; K31-L35 WeakPolarHBondContact O-CD1 3.35Å; I32-L35 PolarHBondContact O-N 3.34Å; I32-L35 VanDerWaalsContact O-N 3.08Å; G33-L35 PolarHBondContact O-N 2.93Å; L35-L37 HydrophobicContact CB-CD1 4.49Å; L35-L37 PolarHBondContact O-N 2.86Å; L35-I64 HydrophobicContact CB-CD1 4.27Å; L35-I64 HydrophobicContact CD1-CD1 3.26Å; L35-I64 HydrophobicContact CD2-CD1 3.9Å; L35-I64 HydrophobicContact CD2-CG2 4.27Å; L35-I64 HydrophobicContact CG-CD1 3.99Å
36G63.8Low68.9Low58 Ų5858.5 Ų58.560%0.59836%0.36SS*.THydrogen-bonded Turntrans67.516.4175.400000114.9I32 G33I32-G36 PolarHBondContact O-N 2.86Å; G33-G36 PolarHBondContact O-N 3.29Å
37L68.1Low69.3Low25 Ų2554.9 Ų54.913%0.13134%0.336CS..  trans-89.1141.5178.2-88162.1000110.2I32 L35 P39 V42 I64 R67 A69I32-L37 HydrophobicContact CG2-CB 3.33Å; I32-L37 WeakPolarHBondContact CG2-O 3.42Å; L35-L37 HydrophobicContact CB-CD1 4.49Å; L35-L37 PolarHBondContact O-N 2.86Å; L37-P39 WeakPolarHBondContact O-CD 3.31Å; L37-V42 HydrophobicContact CB-CG2 4.37Å; L37-V42 HydrophobicContact CD2-CG2 4.33Å; L37-I64 HydrophobicContact CD1-CD1 3.87Å; L37-I64 HydrophobicContact CD1-CG1 3.9Å; L37-I64 HydrophobicContact CD1-CG2 3.89Å; L37-R67 WeakPolarHBondContact CD2-O 3.42Å; L37-A69 HydrophobicContact CD1-CB 4.22Å
38S67.9Low69.9Low64 Ų6459.4 Ų59.445%0.44834%0.344SS..  trans-74.9120.3176.6-55.20000110.3K40 K41 V42S38-K40 PolarHBondContact O-N 3.38Å; S38-K40 VanDerWaalsContact O-N 3.12Å; S38-K41 PolarHBondContact O-N 2.98Å; S38-V42 PolarHBondContact O-N 2.99Å
39P70.3Confident70.2Confident44 Ų4461.4 Ų61.429%0.28636%0.361SS..Hα-helixtrans-64.3-20.4-179.426.3-34.5000112.5T25 L28 L37 G43T25-P39 HydrophobicContact CG2-CB 4.27Å; T25-P39 HydrophobicContact CG2-CG 4.46Å; L28-P39 HydrophobicContact CB-CB 4.28Å; L37-P39 WeakPolarHBondContact O-CD 3.31Å; P39-G43 PolarHBondContact O-N 3.43Å
40K72.3Confident70.6Confident159 Ų15959.2 Ų59.269%0.69134%0.343SS*.Hα-helixtrans-67.4-51.9174.8-162172.8-177.1-179.10111.8S38 G43 D44S38-K40 PolarHBondContact O-N 3.38Å; S38-K40 VanDerWaalsContact O-N 3.12Å; K40-G43 PolarHBondContact O-N 3.03Å; K40-D44 PolarHBondContact O-N 3.09Å; K40-D44 VanDerWaalsContact O-OD2 3.13Å
41K74.9Confident70.3Confident149 Ų14956.6 Ų56.665%0.64833%0.333SS*.Hα-helixtrans-62.8-46.4178.4-71.5-174.3176.9-178.20111.8S38 G43 D44 D45S38-K41 PolarHBondContact O-N 2.98Å; K41-G43 VanDerWaalsContact C-N 3.28Å; K41-G43 PolarHBondContact O-N 3.47Å; K41-D44 PolarHBondContact O-N 2.84Å; K41-D45 PolarHBondContact O-N 3.48Å
42V72.6Confident70.3Confident4 Ų457.9 Ų57.92%0.02434%0.344CS..Hα-helixtrans-64.1-35.9177.6-179.10000111.3L28 I32 L37 S38 I46 L62 A69L28-V42 HydrophobicContact CD2-CG1 4.41Å; I32-V42 HydrophobicContact CD1-CB 3.97Å; I32-V42 HydrophobicContact CD1-CG1 3.62Å; I32-V42 HydrophobicContact CD1-CG2 4.26Å; L37-V42 HydrophobicContact CB-CG2 4.37Å; L37-V42 HydrophobicContact CD2-CG2 4.33Å; S38-V42 PolarHBondContact O-N 2.99Å; V42-I46 HydrophobicContact CG1-CD1 3.58Å; V42-I46 HydrophobicContact CG1-CG1 4.19Å; V42-I46 VanDerWaalsContact O-CB 3.29Å; V42-I46 WeakPolarHBondContact O-CB 3.48Å; V42-I46 WeakPolarHBondContact O-CD1 3.42Å; V42-I46 WeakPolarHBondContact O-CG1 3.48Å; V42-I46 PolarHBondContact O-N 3.33Å; V42-L62 HydrophobicContact CG1-CD2 3.87Å; V42-A69 HydrophobicContact CG2-CB 4.22Å
43G72.4Confident70.5Confident1 Ų159 Ų591%0.0135%0.348CS..Hα-helixtrans-63-44.2173.700000113.2P39 K40 K41 A47P39-G43 PolarHBondContact O-N 3.43Å; K40-G43 PolarHBondContact O-N 3.03Å; K41-G43 VanDerWaalsContact C-N 3.28Å; K41-G43 PolarHBondContact O-N 3.47Å; G43-A47 WeakPolarHBondContact O-CB 3.46Å; G43-A47 PolarHBondContact O-N 3.34Å
44D77.9Confident70.5Confident75 Ų7562.7 Ų62.740%0.40135%0.349SS..Hα-helixtrans-65-45.4175.9-84.6-72000112.3K40 K41 A47 K48K40-D44 PolarHBondContact O-N 3.09Å; K40-D44 VanDerWaalsContact O-OD2 3.13Å; K41-D44 PolarHBondContact O-N 2.84Å; D44-A47 PolarHBondContact O-N 2.94Å; D44-K48 WeakPolarHBondContact O-CG 3.17Å; D44-K48 PolarHBondContact O-N 3.21Å
45D76.2Confident70.3Confident75 Ų7559.2 Ų59.240%0.40133%0.331SS..Hα-helixtrans-68.2-36.4179.6-68.8-44.7000111.7K41 K48 A49 I71K41-D45 PolarHBondContact O-N 3.48Å; D45-K48 PolarHBondContact O-N 3.32Å; D45-A49 VanDerWaalsContact O-CB 3.32Å; D45-A49 WeakPolarHBondContact O-CB 3.46Å; D45-A49 PolarHBondContact O-N 3.21Å; D45-I71 HydrophobicContact CB-CD1 3.31Å
46I73.4Confident70.4Confident2 Ų259.3 Ų59.31%0.0133%0.331CS..Hα-helixtrans-65.8-42.1172.1-69.9169000110.2M15 C17 L28 V42 K48 A49 T50 V60 I71M15-I46 HydrophobicContact SD-CD1 4.18Å; C17-I46 HydrophobicContact CB-CG2 4.04Å; L28-I46 HydrophobicContact CD2-CD1 4.13Å; V42-I46 HydrophobicContact CG1-CD1 3.58Å; V42-I46 HydrophobicContact CG1-CG1 4.19Å; V42-I46 VanDerWaalsContact O-CB 3.29Å; V42-I46 WeakPolarHBondContact O-CB 3.48Å; V42-I46 WeakPolarHBondContact O-CD1 3.42Å; V42-I46 WeakPolarHBondContact O-CG1 3.48Å; V42-I46 PolarHBondContact O-N 3.33Å; I46-K48 VanDerWaalsContact C-N 3.33Å; I46-K48 PolarHBondContact O-N 3.03Å; I46-A49 PolarHBondContact O-N 3.5Å; I46-T50 HydrophobicContact CG2-CG2 4.22Å; I46-T50 VanDerWaalsContact O-CB 3.3Å; I46-T50 WeakPolarHBondContact O-CB 3.44Å; I46-T50 WeakPolarHBondContact O-CG2 3.5Å; I46-T50 PolarHBondContact O-N 2.97Å; I46-T50 PolarHBondContact O-OG1 3.49Å; I46-V60 HydrophobicContact CG2-CG2 4.39Å; I46-I71 HydrophobicContact CG1-CD1 3.76Å; I46-I71 HydrophobicContact CG1-CG1 4.03Å; I46-I71 HydrophobicContact CG1-CG2 4.24Å
47A69.4Low70.6Confident20 Ų2064.4 Ų64.417%0.16533%0.332CS..Hα-helixtrans-63.4-38.5178.900000112.1V22 G43 D44 T50 G51V22-A47 HydrophobicContact CG2-CB 4.29Å; G43-A47 WeakPolarHBondContact O-CB 3.46Å; G43-A47 PolarHBondContact O-N 3.34Å; D44-A47 PolarHBondContact O-N 2.94Å; A47-T50 CarbonylContact O-C 3.51Å; A47-G51 WeakPolarHBondContact O-CA 3.39Å; A47-G51 PolarHBondContact O-N 3.22Å
48K76Confident70.7Confident159 Ų15963.2 Ų63.269%0.69133%0.326SS*.Hα-helixtrans-66.3-48.7173.2-72175.1-174.7172.30112.1D44 D45 I46 T50 G51D44-K48 WeakPolarHBondContact O-CG 3.17Å; D44-K48 PolarHBondContact O-N 3.21Å; D45-K48 PolarHBondContact O-N 3.32Å; I46-K48 VanDerWaalsContact C-N 3.33Å; I46-K48 PolarHBondContact O-N 3.03Å; K48-T50 PolarHBondContact O-N 2.82Å; K48-G51 PolarHBondContact O-N 3.35Å
49A72.6Confident70.9Confident43 Ų4362.5 Ų62.536%0.35532%0.319SS..Hα-helixtrans-68.1-23.5-18000000113.1D45 I46 I71 V73D45-A49 VanDerWaalsContact O-CB 3.32Å; D45-A49 WeakPolarHBondContact O-CB 3.46Å; D45-A49 PolarHBondContact O-N 3.21Å; I46-A49 PolarHBondContact O-N 3.5Å; A49-I71 HydrophobicContact CB-CG2 3.88Å; A49-V73 HydrophobicContact CB-CG2 4.38Å
50T70Confident71Confident0 Ų060.4 Ų60.40%031%0.305CS..THydrogen-bonded Turntrans-111.917.4-178.865.10000114G19 G20 I46 A47 K48 D52 W53 V60 V73G19-T50 WeakPolarHBondContact CA-OG1 3.42Å; G20-T50 PolarHBondContact N-O 3.44Å; G20-T50 VanDerWaalsContact N-O 3.1Å; I46-T50 HydrophobicContact CG2-CG2 4.22Å; I46-T50 VanDerWaalsContact O-CB 3.3Å; I46-T50 WeakPolarHBondContact O-CB 3.44Å; I46-T50 WeakPolarHBondContact O-CG2 3.5Å; I46-T50 PolarHBondContact O-N 2.97Å; I46-T50 PolarHBondContact O-OG1 3.49Å; A47-T50 CarbonylContact O-C 3.51Å; K48-T50 PolarHBondContact O-N 2.82Å; T50-D52 VanDerWaalsContact C-N 3.27Å; T50-D52 PolarHBondContact O-N 3.19Å; T50-W53 PolarHBondContact O-N 3.36Å; T50-V60 HydrophobicContact CG2-CG2 4.43Å; T50-V73 HydrophobicContact CG2-CG1 4.49Å; T50-V73 HydrophobicContact CG2-CG2 3.76Å
51G67.1Low71.2Confident39 Ų3955.2 Ų55.240%0.40228%0.283SS..G310 helixtrans-57.7-38.2-17800000113.4A47 K48 W53A47-G51 WeakPolarHBondContact O-CA 3.39Å; A47-G51 PolarHBondContact O-N 3.22Å; K48-G51 PolarHBondContact O-N 3.35Å; G51-W53 PolarHBondContact O-N 3.21Å; G51-W53 VanDerWaalsContact O-N 3.14Å
52D67.9Low71.2Confident124 Ų12448.3 Ų48.366%0.66325%0.253SS*.G310 helixtrans-68.9-6.4176.7-59.6-78.8000114.2T50T50-D52 VanDerWaalsContact C-N 3.27Å; T50-D52 PolarHBondContact O-N 3.19Å
53W68.3Low71.4Confident28 Ų2849.6 Ų49.611%0.10626%0.261CS..G310 helixtrans-119.239.2-172.5-5392.6000113.2G19 T50 G51 G55 L56 I58 P75 A79 L80 K83G19-W53 CarbonylContact C-O 3.06Å; G19-W53 VanDerWaalsContact C-O 3.25Å; G19-W53 VanDerWaalsContact CA-O 3.29Å; G19-W53 WeakPolarHBondContact CA-O 3.5Å; T50-W53 PolarHBondContact O-N 3.36Å; G51-W53 PolarHBondContact O-N 3.21Å; G51-W53 VanDerWaalsContact O-N 3.14Å; W53-G55 PolarHBondContact O-N 3.37Å; W53-L56 PolarHBondContact O-N 3.11Å; W53-I58 HydrophobicContact CB-CD1 3.09Å; W53-I58 HydrophobicContact CD2-CD1 3.51Å; W53-I58 HydrophobicContact CE3-CD1 3.87Å; W53-I58 HydrophobicContact CG-CD1 3.21Å; W53-P75 HydrophobicContact CH2-CB 4.36Å; W53-P75 HydrophobicContact CZ2-CB 4.49Å; W53-A79 HydrophobicContact CE3-CB 3.86Å; W53-A79 HydrophobicContact CZ3-CB 3.63Å; W53-A79 WeakPolarHBondContact CZ3-O 3.37Å; W53-L80 HydrophobicContact CH2-CD2 3.78Å; W53-L80 HydrophobicContact CH2-CG 4.26Å; W53-K83 HydrophobicContact CE3-CD 4.45Å; W53-K83 HydrophobicContact CH2-CD 3.91Å; W53-K83 HydrophobicContact CZ2-CD 4.4Å; W53-K83 HydrophobicContact CZ3-CB 4.07Å; W53-K83 HydrophobicContact CZ3-CD 3.91Å
54K64Low71.4Confident131 Ų13150.1 Ų50.157%0.5726%0.263SS*.THydrogen-bonded Turntrans-60.2122-173.1-164.3172.1-176.7177.90112.6G19G19-K54 CarbonylContact O-C 3.58Å; G19-K54 WeakPolarHBondContact O-CA 3.34Å
55G64.6Low71Confident23 Ų2349 Ų4924%0.23726%0.259CS..THydrogen-bonded Turntrans84.34.1175.300000115.3G19 W53G19-G55 PolarHBondContact O-N 3.25Å; W53-G55 PolarHBondContact O-N 3.37Å
56L68.9Low70.5Confident22 Ų2249.6 Ų49.612%0.11526%0.262CS..  trans-98.3148.7172.9-73.5100.9000112T18 G19 W53 I58 A79 I82T18-L56 CarbonylContact C-O 3.59Å; T18-L56 WeakPolarHBondContact CA-O 3.4Å; G19-L56 PolarHBondContact N-O 2.87Å; W53-L56 PolarHBondContact O-N 3.11Å; L56-I58 HydrophobicContact CB-CD1 4.42Å; L56-I58 HydrophobicContact CB-CG1 4.35Å; L56-A79 HydrophobicContact CD2-CB 4.02Å; L56-I82 HydrophobicContact CD1-CG2 4.15Å; L56-I82 HydrophobicContact CD2-CB 3.89Å; L56-I82 HydrophobicContact CD2-CD1 3.67Å; L56-I82 HydrophobicContact CD2-CG1 4.37Å; L56-I82 HydrophobicContact CD2-CG2 3.9Å; L56-I82 HydrophobicContact CG-CG2 4.42Å
57R67.3Low70Confident165 Ų16558.9 Ų58.962%0.62330%0.297SS*.EExtended strand (participates in β ladder)trans-88113.8168.9-76.9-176.6164.7-174-7.2108.9C17 T18 R92C17-R57 CarbonylContact O-C 3.59Å; C17-R57 WeakPolarHBondContact O-CA 3.18Å; T18-R57 HydrophobicContact CG2-CG 4.12Å; R57-R92 VanDerWaalsContact NH2-NH2 3.15Å
58I71.3Confident69.8Low1 Ų165.1 Ų65.11%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-117.6143.5-179-66.7165.3000110.4R16 C17 W53 L56 V73 A79R16-I58 CarbonylContact C-O 3.56Å; R16-I58 WeakPolarHBondContact CA-O 3.23Å; C17-I58 PolarHBondContact N-O 3.43Å; C17-I58 PolarHBondContact O-N 3Å; W53-I58 HydrophobicContact CB-CD1 3.09Å; W53-I58 HydrophobicContact CD2-CD1 3.51Å; W53-I58 HydrophobicContact CE3-CD1 3.87Å; W53-I58 HydrophobicContact CG-CD1 3.21Å; L56-I58 HydrophobicContact CB-CD1 4.42Å; L56-I58 HydrophobicContact CB-CG1 4.35Å; I58-V73 HydrophobicContact CG2-CG1 3.58Å; I58-A79 HydrophobicContact CG1-CB 4.37Å
59T72.3Confident69.4Low48 Ų4858.8 Ų58.829%0.29430%0.3SS..EExtended strand (participates in β ladder)trans-78.9123.2167.836.20000110.3M15 R16 V74M15-T59 CarbonylContact O-C 3.25Å; M15-T59 WeakPolarHBondContact O-CA 3.33Å; R16-T59 HydrophobicContact CG-CG2 3.64Å; T59-V74 WeakPolarHBondContact O-CB 3.06Å; T59-V74 PolarHBondContact O-N 3.4Å; T59-V74 PolarHBondContact OG1-O 3.47Å
60V71.4Confident69.4Low0 Ų059.7 Ų59.70%031%0.307CS..EExtended strand (participates in β ladder)trans-110.5131.2174.3-175.10000107.8M15 C17 I46 T50 L62 I71M15-V60 HydrophobicContact CG-CB 4.38Å; M15-V60 PolarHBondContact N-O 3.16Å; M15-V60 PolarHBondContact O-N 2.98Å; C17-V60 HydrophobicContact CB-CG2 4.17Å; I46-V60 HydrophobicContact CG2-CG2 4.39Å; T50-V60 HydrophobicContact CG2-CG2 4.43Å; V60-L62 HydrophobicContact CG1-CG 4.37Å; V60-I71 HydrophobicContact CG1-CG2 3.6Å
61K77.3Confident69.4Low51 Ų5161.6 Ų61.622%0.22232%0.317CS..EExtended strand (participates in β ladder)trans-93.6115.7169.8-178.5-175.3171.8-158.20107.2V12 Y14 E72 V74V12-K61 HydrophobicContact CG1-CD 4.01Å; V12-K61 VanDerWaalsContact CG1-CE 3.47Å; V12-K61 HydrophobicContact CG1-CG 3.52Å; Y14-K61 HydrophobicContact CD1-CB 4.01Å; Y14-K61 HydrophobicContact CD1-CG 4.11Å; Y14-K61 HydrophobicContact CE1-CB 3.86Å; Y14-K61 HydrophobicContact CE1-CD 3.81Å; Y14-K61 HydrophobicContact CE1-CG 3.61Å; K61-E72 HydrophobicContact CB-CB 4.36Å; K61-E72 PolarHBondContact N-O 3.36Å; K61-E72 IonicContact NZ-OE2 3.21Å; K61-E72 PolarHBondContact NZ-OE2 2.96Å; K61-E72 PolarHBondContact O-N 3.05Å; K61-V74 HydrophobicContact CB-CG2 3.75Å
62L74.7Confident69.7Low4 Ų464.7 Ų64.72%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-98.9114.2175.3-73.5144.5000107.8V12 V13 M15 V42 V60 A69 A70 I71V12-L62 CarbonylContact C-O 3.55Å; V12-L62 WeakPolarHBondContact CA-O 3.16Å; V13-L62 HydrophobicContact CB-CB 4.46Å; V13-L62 PolarHBondContact N-O 3.19Å; V13-L62 PolarHBondContact O-N 3Å; M15-L62 HydrophobicContact CG-CD1 3.63Å; M15-L62 HydrophobicContact SD-CD1 3.33Å; M15-L62 WeakPolarHBondContact SD-CD1 3.43Å; V42-L62 HydrophobicContact CG1-CD2 3.87Å; V60-L62 HydrophobicContact CG1-CG 4.37Å; L62-A69 HydrophobicContact CD2-CB 3.84Å; L62-A70 WeakPolarHBondContact CA-O 3.32Å; L62-I71 HydrophobicContact CD2-CG1 3.6Å
63T77.1Confident69.9Low30 Ų3060.5 Ų60.518%0.18430%0.3CS..EExtended strand (participates in β ladder)trans-95.3112.1170.2-53.50000107.1T10 V65 A70T10-T63 HydrophobicContact CG2-CG2 3.38Å; T63-V65 HydrophobicContact CG2-CG2 4.35Å; T63-A70 PolarHBondContact N-O 3.42Å; T63-A70 PolarHBondContact O-N 3.13Å
64I71.8Confident70Confident12 Ų1261 Ų616%0.06231%0.306CS..EExtended strand (participates in β ladder)trans-99.8118.9-177.1-60165.2000108.4K11 V13 L35 L37 Q68K11-I64 PolarHBondContact N-O 3.08Å; K11-I64 VanDerWaalsContact N-O 3.17Å; K11-I64 PolarHBondContact O-N 2.86Å; V13-I64 HydrophobicContact CG2-CD1 4.18Å; L35-I64 HydrophobicContact CB-CD1 4.27Å; L35-I64 HydrophobicContact CD1-CD1 3.26Å; L35-I64 HydrophobicContact CD2-CD1 3.9Å; L35-I64 HydrophobicContact CD2-CG2 4.27Å; L35-I64 HydrophobicContact CG-CD1 3.99Å; L37-I64 HydrophobicContact CD1-CD1 3.87Å; L37-I64 HydrophobicContact CD1-CG1 3.9Å; L37-I64 HydrophobicContact CD1-CG2 3.89Å; I64-Q68 WeakPolarHBondContact CA-O 3.25Å
65V69.6Low70.3Confident52 Ų5256.5 Ų56.532%0.31529%0.29SS..EExtended strand (participates in β ladder)trans-133.4131.1174.5-178.40000107.2T10 T63 R67 Q68T10-V65 HydrophobicContact CG2-CG2 3.94Å; T63-V65 HydrophobicContact CG2-CG2 4.35Å; V65-R67 VanDerWaalsContact C-N 3.25Å; V65-R67 PolarHBondContact O-N 2.98Å; V65-R67 VanDerWaalsContact O-N 3.08Å; V65-Q68 PolarHBondContact N-O 3.17Å; V65-Q68 VanDerWaalsContact N-O 3.07Å; V65-Q68 PolarHBondContact O-N 3.46Å
66N65.9Low70.6Confident88 Ų8857.1 Ų57.147%0.47129%0.291SS..THydrogen-bonded Turntrans49.539.9175.6-69.7-46000114.9P7 Q68P7-N66 PolarHBondContact O-N 2.63Å; P7-N66 PolarHBondContact O-OD1 2.83Å; N66-Q68 PolarHBondContact O-N 3.18Å; N66-Q68 VanDerWaalsContact O-N 3.16Å
67R61.9Low70.6Confident197 Ų19757 Ų5774%0.74329%0.293SS*.THydrogen-bonded Turntrans58.223.1-176-54.9176171175.2-3.1114.4L37 V65L37-R67 WeakPolarHBondContact CD2-O 3.42Å; V65-R67 VanDerWaalsContact C-N 3.25Å; V65-R67 PolarHBondContact O-N 2.98Å; V65-R67 VanDerWaalsContact O-N 3.08Å
68Q65.9Low70.7Confident151 Ų15151.5 Ų51.571%0.70628%0.28SS*.EExtended strand (participates in β ladder)trans-110.5135.7166.5-64.7-1795.600108.1I64 V65 N66I64-Q68 WeakPolarHBondContact CA-O 3.25Å; V65-Q68 PolarHBondContact N-O 3.17Å; V65-Q68 VanDerWaalsContact N-O 3.07Å; V65-Q68 PolarHBondContact O-N 3.46Å; N66-Q68 PolarHBondContact O-N 3.18Å; N66-Q68 VanDerWaalsContact O-N 3.16Å
69A66.4Low70.7Confident26 Ų2651.5 Ų51.522%0.21528%0.28CS..EExtended strand (participates in β ladder)trans-101.6107.817900000108.5L37 V42 L62L37-A69 HydrophobicContact CD1-CB 4.22Å; V42-A69 HydrophobicContact CG2-CB 4.22Å; L62-A69 HydrophobicContact CD2-CB 3.84Å
70A72.7Confident70.9Confident61 Ų6150.5 Ų50.550%0.50427%0.273SS..EExtended strand (participates in β ladder)trans-77.5121.8164.100000108.1L62 T63L62-A70 WeakPolarHBondContact CA-O 3.32Å; T63-A70 PolarHBondContact N-O 3.42Å; T63-A70 PolarHBondContact O-N 3.13Å
71I70.7Confident71Confident40 Ų4050.8 Ų50.821%0.20528%0.275CS..EExtended strand (participates in β ladder)trans-99.8110.6-176.6-71.1152.2000108D45 I46 A49 V60 L62D45-I71 HydrophobicContact CB-CD1 3.31Å; I46-I71 HydrophobicContact CG1-CD1 3.76Å; I46-I71 HydrophobicContact CG1-CG1 4.03Å; I46-I71 HydrophobicContact CG1-CG2 4.24Å; A49-I71 HydrophobicContact CB-CG2 3.88Å; V60-I71 HydrophobicContact CG1-CG2 3.6Å; L62-I71 HydrophobicContact CD2-CG1 3.6Å
72E74.1Confident70.7Confident105 Ų10549.5 Ų49.549%0.49127%0.27SS..EExtended strand (participates in β ladder)trans-108116.4171.5-164.5-178-178.200107.9K61 V74K61-E72 HydrophobicContact CB-CB 4.36Å; K61-E72 PolarHBondContact N-O 3.36Å; K61-E72 IonicContact NZ-OE2 3.21Å; K61-E72 PolarHBondContact NZ-OE2 2.96Å; K61-E72 PolarHBondContact O-N 3.05Å; E72-V74 PolarHBondContact O-N 2.86Å
73V71.8Confident70.5Confident36 Ų3654.4 Ų54.422%0.21829%0.291CS..EExtended strand (participates in β ladder)trans-75.6125175.9-176.70000107.4A49 T50 I58 P75A49-V73 HydrophobicContact CB-CG2 4.38Å; T50-V73 HydrophobicContact CG2-CG1 4.49Å; T50-V73 HydrophobicContact CG2-CG2 3.76Å; I58-V73 HydrophobicContact CG2-CG1 3.58Å; V73-P75 WeakPolarHBondContact O-CD 3.46Å
74V70.2Confident70.1Confident38 Ų3854 Ų5423%0.2329%0.29CS..EExtended strand (participates in β ladder)trans-97.6100.1174.21800000106.8T59 K61 E72 S76T59-V74 WeakPolarHBondContact O-CB 3.06Å; T59-V74 PolarHBondContact O-N 3.4Å; T59-V74 PolarHBondContact OG1-O 3.47Å; K61-V74 HydrophobicContact CB-CG2 3.75Å; E72-V74 PolarHBondContact O-N 2.86Å; V74-S76 PolarHBondContact O-N 3.1Å
75P69.4Low69.8Low36 Ų3654.4 Ų54.423%0.23429%0.293CS..  trans-69.9131.2-173.217.4-20.1000110.3W53 V73 L80 R119W53-P75 HydrophobicContact CH2-CB 4.36Å; W53-P75 HydrophobicContact CZ2-CB 4.49Å; V73-P75 WeakPolarHBondContact O-CD 3.46Å; P75-L80 HydrophobicContact CB-CD1 4.19Å; P75-L80 HydrophobicContact CB-CD2 4.5Å; P75-L80 HydrophobicContact CB-CG 4.22Å; P75-R119 PolarHBondContact O-NH1 3.47Å; P75-R119 PolarHBondContact O-NH2 3.33Å
76S71.9Confident69.5Low37 Ų3760.5 Ų60.526%0.25932%0.315SS..  trans-85.6154.317256.20000110.7V74 S78 A79 L80V74-S76 PolarHBondContact O-N 3.1Å; S76-S78 VanDerWaalsContact C-N 3.26Å; S76-S78 PolarHBondContact O-N 3.38Å; S76-A79 WeakPolarHBondContact O-CB 3.46Å; S76-A79 PolarHBondContact O-N 2.98Å; S76-A79 WeakPolarHBondContact OG-CB 3.18Å; S76-A79 PolarHBondContact OG-N 3.14Å; S76-L80 PolarHBondContact O-N 2.91Å; S76-L80 VanDerWaalsContact O-N 3.08Å
77A69.1Low68.9Low18 Ų1859 Ų5915%0.14931%0.305CS..Hα-helixtrans-55.4-47.1176.800000110.4A79 L80 I81 M116 T135A77-A79 VanDerWaalsContact C-N 3.26Å; A77-A79 PolarHBondContact O-N 3.34Å; A77-L80 PolarHBondContact O-N 3.3Å; A77-L80 VanDerWaalsContact O-N 3.16Å; A77-I81 VanDerWaalsContact O-CG1 3.3Å; A77-I81 WeakPolarHBondContact O-CG1 3.41Å; A77-I81 PolarHBondContact O-N 2.74Å; A77-M116 WeakPolarHBondContact CA-SD 3.49Å; A77-M116 HydrophobicContact CB-CE 3.55Å; A77-M116 HydrophobicContact CB-SD 3.41Å; A77-M116 WeakPolarHBondContact CB-SD 3.44Å; A77-T135 HydrophobicContact CB-CG2 4.11Å
78S68.4Low68.5Low50 Ų5054.7 Ų54.735%0.3530%0.303SS..Hα-helixtrans-59.4-35.6177-40.20000112.5S76 I82S76-S78 VanDerWaalsContact C-N 3.26Å; S76-S78 PolarHBondContact O-N 3.38Å; S78-I82 WeakPolarHBondContact O-CB 3.25Å; S78-I82 VanDerWaalsContact O-CD1 3.27Å; S78-I82 WeakPolarHBondContact O-CD1 3.49Å; S78-I82 WeakPolarHBondContact O-CG1 3.34Å; S78-I82 PolarHBondContact O-N 2.88Å
79A72.9Confident67.9Low2 Ų252 Ų522%0.01730%0.298CS..Hα-helixtrans-69.7-43.3177.600000111.4W53 L56 I58 S76 A77 I82 K83W53-A79 HydrophobicContact CE3-CB 3.86Å; W53-A79 HydrophobicContact CZ3-CB 3.63Å; W53-A79 WeakPolarHBondContact CZ3-O 3.37Å; L56-A79 HydrophobicContact CD2-CB 4.02Å; I58-A79 HydrophobicContact CG1-CB 4.37Å; S76-A79 WeakPolarHBondContact O-CB 3.46Å; S76-A79 PolarHBondContact O-N 2.98Å; S76-A79 WeakPolarHBondContact OG-CB 3.18Å; S76-A79 PolarHBondContact OG-N 3.14Å; A77-A79 VanDerWaalsContact C-N 3.26Å; A77-A79 PolarHBondContact O-N 3.34Å; A79-I82 PolarHBondContact O-N 3.05Å; A79-K83 WeakPolarHBondContact O-CB 3.18Å; A79-K83 PolarHBondContact O-N 2.84Å
80L75.9Confident67.4Low27 Ų2757 Ų5714%0.14131%0.312CS..Hα-helixtrans-63.6-40.7178-72.9164.6000112W53 P75 S76 A77 K83 A84 V112 M116W53-L80 HydrophobicContact CH2-CD2 3.78Å; W53-L80 HydrophobicContact CH2-CG 4.26Å; P75-L80 HydrophobicContact CB-CD1 4.19Å; P75-L80 HydrophobicContact CB-CD2 4.5Å; P75-L80 HydrophobicContact CB-CG 4.22Å; S76-L80 PolarHBondContact O-N 2.91Å; S76-L80 VanDerWaalsContact O-N 3.08Å; A77-L80 PolarHBondContact O-N 3.3Å; A77-L80 VanDerWaalsContact O-N 3.16Å; L80-K83 WeakPolarHBondContact O-CB 3.47Å; L80-K83 PolarHBondContact O-N 3.29Å; L80-A84 PolarHBondContact O-N 2.83Å; L80-V112 HydrophobicContact CB-CG1 3.7Å; L80-V112 HydrophobicContact CB-CG2 4.03Å; L80-V112 HydrophobicContact CD1-CG1 4.03Å; L80-V112 HydrophobicContact CG-CG1 4.47Å; L80-M116 HydrophobicContact CD1-CE 4.37Å; L80-M116 HydrophobicContact CD1-CG 3.83Å; L80-M116 HydrophobicContact CD1-SD 4.16Å
81I72.4Confident66.2Low6 Ų659.5 Ų59.53%0.03132%0.316CS..Hα-helixtrans-65.2-45.4176.3-65.4163.7000111.1A77 K83 A84 L85 V104 I132 T135 A136 C141A77-I81 VanDerWaalsContact O-CG1 3.3Å; A77-I81 WeakPolarHBondContact O-CG1 3.41Å; A77-I81 PolarHBondContact O-N 2.74Å; I81-K83 PolarHBondContact O-N 3.05Å; I81-A84 WeakPolarHBondContact O-CB 3.3Å; I81-A84 PolarHBondContact O-N 2.77Å; I81-A84 VanDerWaalsContact O-N 3.17Å; I81-L85 HydrophobicContact CG2-CD1 4.38Å; I81-L85 WeakPolarHBondContact O-CG 3.43Å; I81-L85 PolarHBondContact O-N 3Å; I81-V104 HydrophobicContact CG2-CG2 4.35Å; I81-I132 HydrophobicContact CD1-CG2 4.06Å; I81-I132 HydrophobicContact CG1-CG2 4.32Å; I81-T135 WeakPolarHBondContact CD1-OG1 3.48Å; I81-A136 HydrophobicContact CD1-CB 4.16Å; I81-C141 VanDerWaalsContact CG2-SG 3.51Å
82I71.8Confident65.4Low23 Ų2365.6 Ų65.612%0.11834%0.337CS..Hα-helixtrans-65.9-30.9178-66.6165000111.2L56 S78 A79 V139L56-I82 HydrophobicContact CD1-CG2 4.15Å; L56-I82 HydrophobicContact CD2-CB 3.89Å; L56-I82 HydrophobicContact CD2-CD1 3.67Å; L56-I82 HydrophobicContact CD2-CG1 4.37Å; L56-I82 HydrophobicContact CD2-CG2 3.9Å; L56-I82 HydrophobicContact CG-CG2 4.42Å; S78-I82 WeakPolarHBondContact O-CB 3.25Å; S78-I82 VanDerWaalsContact O-CD1 3.27Å; S78-I82 WeakPolarHBondContact O-CD1 3.49Å; S78-I82 WeakPolarHBondContact O-CG1 3.34Å; S78-I82 PolarHBondContact O-N 2.88Å; A79-I82 PolarHBondContact O-N 3.05Å; I82-V139 HydrophobicContact CD1-CG1 4.39Å; I82-V139 HydrophobicContact CG1-CG1 3.93Å
83K70.8Confident64.4Low108 Ų10870.1 Ų70.147%0.4736%0.355SS..Hα-helixtrans-67.7-42.1172.6-172.8175-178.81750111.9W53 A79 L80 I81 L85 K86W53-K83 HydrophobicContact CE3-CD 4.45Å; W53-K83 HydrophobicContact CH2-CD 3.91Å; W53-K83 HydrophobicContact CZ2-CD 4.4Å; W53-K83 HydrophobicContact CZ3-CB 4.07Å; W53-K83 HydrophobicContact CZ3-CD 3.91Å; A79-K83 WeakPolarHBondContact O-CB 3.18Å; A79-K83 PolarHBondContact O-N 2.84Å; L80-K83 WeakPolarHBondContact O-CB 3.47Å; L80-K83 PolarHBondContact O-N 3.29Å; I81-K83 PolarHBondContact O-N 3.05Å; K83-L85 VanDerWaalsContact C-N 3.32Å; K83-K86 PolarHBondContact O-N 3.08Å
84A67.4Low63.4Low21 Ų2176.9 Ų76.917%0.17438%0.381CS..Hα-helixtrans-62.9-40175.500000111.5L80 I81 K86 V104 E108L80-A84 PolarHBondContact O-N 2.83Å; I81-A84 WeakPolarHBondContact O-CB 3.3Å; I81-A84 PolarHBondContact O-N 2.77Å; I81-A84 VanDerWaalsContact O-N 3.17Å; A84-K86 PolarHBondContact O-N 2.7Å; A84-K86 VanDerWaalsContact O-N 3.08Å; A84-V104 HydrophobicContact CB-CG1 4.32Å; A84-E108 HydrophobicContact CB-CB 4.34Å
85L65.5Low62.1Low21 Ų2179.3 Ų79.311%0.1140%0.396CS..THydrogen-bonded Turntrans-64-13.1177.2-77.6178.6000115.7I81 K83 E87 V104 V139 C141I81-L85 HydrophobicContact CG2-CD1 4.38Å; I81-L85 WeakPolarHBondContact O-CG 3.43Å; I81-L85 PolarHBondContact O-N 3Å; K83-L85 VanDerWaalsContact C-N 3.32Å; L85-E87 HydrophobicContact CB-CG 4.14Å; L85-E87 PolarHBondContact O-N 2.73Å; L85-V104 HydrophobicContact CD2-CB 4.46Å; L85-V104 HydrophobicContact CD2-CG2 3.3Å; L85-V104 HydrophobicContact CG-CG2 3.72Å; L85-V139 HydrophobicContact CD1-CG1 4.41Å; L85-C141 HydrophobicContact CD1-CB 4.43Å; L85-C141 WeakPolarHBondContact CD1-SG 3.45Å
86K63.3Low61Low179 Ų17987.1 Ų87.178%0.77843%0.426SS*.THydrogen-bonded Turntrans45.231.2-176.3-65.9175.4-178.2165.90113.1K83 A84K83-K86 PolarHBondContact O-N 3.08Å; A84-K86 PolarHBondContact O-N 2.7Å; A84-K86 VanDerWaalsContact O-N 3.08Å
87E55.1Low59.9Low56 Ų5692.7 Ų92.726%0.26245%0.453SS..PPolyproline II helixtrans-69.5142.8-178.6-87-179.3163.200109.9L85 H100 G102L85-E87 HydrophobicContact CB-CG 4.14Å; L85-E87 PolarHBondContact O-N 2.73Å; E87-H100 WeakPolarHBondContact OE1-CA 3.47Å; E87-H100 WeakPolarHBondContact OE1-CB 3.41Å; E87-H100 VanDerWaalsContact OE2-CB 3.28Å; E87-H100 WeakPolarHBondContact OE2-CB 3.41Å; E87-H100 IonicContact OE2-CD2 3.9Å; E87-H100 PolarHBondContact OE2-CD2 3.08Å; E87-H100 IonicContact OE2-CG 3.99Å; E87-H100 IonicContact OE2-ND1 3.16Å; E87-H100 IonicContact OE2-NE2 3.3Å; E87-G102 PolarHBondContact OE1-N 3.27Å
88P52.7Low59.2Low107 Ų10796.6 Ų96.670%0.69547%0.47SS*.PPolyproline II helixtrans-58.9150.7-173.321.4-31.8000112.2R90P88-R90 PolarHBondContact O-N 3.46Å
89P53.3Low58.5Low94 Ų94102.7 Ų102.761%0.6149%0.491SS*.PPolyproline II helixtrans-53.8126-174.820.3-32000111.1D91P89-D91 PolarHBondContact O-N 3.05Å; P89-D91 VanDerWaalsContact O-N 3.09Å
90R55.6Low57.7Low133 Ų133103.3 Ų103.350%0.50249%0.493SS..  trans-59.3112.5-176.5-89.9178.3158.6-169-3.2111.8P88 R92 H100P88-R90 PolarHBondContact O-N 3.46Å; R90-R92 PolarHBondContact O-N 3.1Å; R90-H100 PolarHBondContact NH2-CE1 3.29Å; R90-H100 VanDerWaalsContact NH2-CE1 3.32Å; R90-H100 PolarHBondContact NH2-NE2 3.36Å
91D48.7Very low56.7Low113 Ų113106.8 Ų106.860%0.60452%0.52SS*.  trans-86.194168.9-132.9-53.4000109.8P89 K93P89-D91 PolarHBondContact O-N 3.05Å; P89-D91 VanDerWaalsContact O-N 3.09Å; D91-K93 PolarHBondContact O-N 3.31Å
92R53.1Low56.2Low168 Ų168107.1 Ų107.163%0.63453%0.525SS*.THydrogen-bonded Turntrans-64.7-6.3-170.7-151.6168170.4-155.7-9.9114.1R57 R90R57-R92 VanDerWaalsContact NH2-NH2 3.15Å; R90-R92 PolarHBondContact O-N 3.1Å
93K53.7Low56Low199 Ų199109.6 Ų109.687%0.86554%0.544SS*.THydrogen-bonded Turntrans-99.7-19.9-173.4-89179.6175.6175.40115.6D91D91-K93 PolarHBondContact O-N 3.31Å
94K51Low56Low179 Ų179104.7 Ų104.778%0.77852%0.523SS*.THydrogen-bonded Turntrans-104.2-32.6-169.2-83.2-179.5175.9176.10116.1
95V43.1Very low56.5Low89 Ų89106.7 Ų106.754%0.53953%0.534SS..  trans-144116.6-176.6-167.60000111.1I98V95-I98 HydrophobicContact CB-CD1 4.13Å; V95-I98 HydrophobicContact CB-CG1 3.75Å; V95-I98 HydrophobicContact CG1-CG1 3.9Å
96K44.9Very low56.8Low199 Ų199108 Ų10887%0.86554%0.538SS*.SBendtrans-76.5130.1165.4-70.5179179.21770107.3
97N49.4Very low57.5Low155 Ų155104.9 Ų104.983%0.82953%0.53SS*.  trans68.657.1-179.7-56.2-13.4000115.6K99N97-K99 PolarHBondContact O-N 3.33Å; N97-K99 VanDerWaalsContact O-N 3.17Å
98I53.2Low58.6Low99 Ų99105.3 Ų105.351%0.50853%0.532SS..  trans-69.2111.6159.6-56.6172.2000106.5V95 H100V95-I98 HydrophobicContact CB-CD1 4.13Å; V95-I98 HydrophobicContact CB-CG1 3.75Å; V95-I98 HydrophobicContact CG1-CG1 3.9Å; I98-H100 PolarHBondContact O-CE1 3.02Å; I98-H100 PolarHBondContact O-N 3.43Å; I98-H100 PolarHBondContact O-ND1 3.16Å
99K54.2Low59.8Low178 Ų178100.4 Ų100.477%0.77450%0.5SS*.  trans-65.1123.8167.8-67.3-179.3178.3-178.40107.1N97 S101N97-K99 PolarHBondContact O-N 3.33Å; N97-K99 VanDerWaalsContact O-N 3.17Å; K99-S101 PolarHBondContact O-N 2.97Å
100H56.1Low61Low15 Ų1596.6 Ų96.67%0.06948%0.475CS..  trans-81.2103.5179.4-59.512.7000104.9E87 R90 I98 V139 G140E87-H100 WeakPolarHBondContact OE1-CA 3.47Å; E87-H100 WeakPolarHBondContact OE1-CB 3.41Å; E87-H100 VanDerWaalsContact OE2-CB 3.28Å; E87-H100 WeakPolarHBondContact OE2-CB 3.41Å; E87-H100 IonicContact OE2-CD2 3.9Å; E87-H100 PolarHBondContact OE2-CD2 3.08Å; E87-H100 IonicContact OE2-CG 3.99Å; E87-H100 IonicContact OE2-ND1 3.16Å; E87-H100 IonicContact OE2-NE2 3.3Å; R90-H100 PolarHBondContact NH2-CE1 3.29Å; R90-H100 VanDerWaalsContact NH2-CE1 3.32Å; R90-H100 PolarHBondContact NH2-NE2 3.36Å; I98-H100 PolarHBondContact O-CE1 3.02Å; I98-H100 PolarHBondContact O-N 3.43Å; I98-H100 PolarHBondContact O-ND1 3.16Å; H100-V139 HydrophobicContact CB-CG1 4.08Å; H100-V139 WeakPolarHBondContact CB-O 3.39Å; H100-G140 CarbonylContact O-C 3.53Å; H100-G140 WeakPolarHBondContact O-CA 3.36Å
101S55.3Low62.2Low100 Ų10093.7 Ų93.770%0.69947%0.472SS*.  trans-98.431.7-178.7-50.50000110.2K99K99-S101 PolarHBondContact O-N 2.97Å
102G62.7Low63.7Low13 Ų1388.9 Ų88.913%0.13445%0.447CS..PPolyproline II helixtrans-79.4141.4179.400000111.4E87 C141 T142E87-G102 PolarHBondContact OE1-N 3.27Å; G102-C141 VanDerWaalsContact O-CA 3.29Å; G102-C141 WeakPolarHBondContact O-CA 2.88Å; G102-T142 PolarHBondContact O-N 3.32Å; G102-T142 VanDerWaalsContact O-N 3.08Å
103S66.9Low64.8Low75 Ų7580.9 Ų80.952%0.52442%0.417SS..EExtended strand (participates in β ladder)trans-95.2126.1171.8-64.90000109.7T142S103-T142 CarbonylContact C-O 3.57Å; S103-T142 VanDerWaalsContact CA-O 3.25Å; S103-T142 WeakPolarHBondContact CA-O 3.43Å; S103-T142 PolarHBondContact OG-OG1 3.04Å
104V71.4Confident65.9Low5 Ų577 Ų773%0.0340%0.396CS..EExtended strand (participates in β ladder)trans-100.3141.2172.8-170.30000108I81 A84 L85 E108 I109 C141 T142 I143 D144I81-V104 HydrophobicContact CG2-CG2 4.35Å; A84-V104 HydrophobicContact CB-CG1 4.32Å; L85-V104 HydrophobicContact CD2-CB 4.46Å; L85-V104 HydrophobicContact CD2-CG2 3.3Å; L85-V104 HydrophobicContact CG-CG2 3.72Å; V104-E108 HydrophobicContact CG1-CB 3.74Å; V104-E108 WeakPolarHBondContact CG1-OE2 3.36Å; V104-I109 HydrophobicContact CB-CD1 4.46Å; V104-I109 HydrophobicContact CB-CG1 4.4Å; V104-I109 HydrophobicContact CG1-CD1 4.34Å; V104-I109 HydrophobicContact CG1-CG1 3.78Å; V104-C141 HydrophobicContact CG2-CB 4.08Å; V104-T142 PolarHBondContact N-O 3.22Å; V104-I143 WeakPolarHBondContact O-CA 3.21Å; V104-D144 PolarHBondContact O-N 3.15Å
105T78.4Confident67.2Low64 Ų6471.9 Ų71.939%0.39338%0.381SS..PPolyproline II helixtrans-77.8151.6171.9580000110.6D107 E108 I109T105-D107 PolarHBondContact O-N 3.4Å; T105-E108 PolarHBondContact O-N 2.92Å; T105-E108 WeakPolarHBondContact OG1-CG 3.29Å; T105-I109 PolarHBondContact O-N 3.21Å
106F71.9Confident68.6Low47 Ų4768.7 Ų68.721%0.20636%0.36CS..Hα-helixtrans-58-33.1178.1-170-101.7000113.1E108 I109 V110 I129 D144 V151 I155 V160F106-E108 PolarHBondContact O-N 3Å; F106-I109 WeakPolarHBondContact O-CB 3.48Å; F106-I109 PolarHBondContact O-N 2.83Å; F106-V110 HydrophobicContact CD1-CG2 3.92Å; F106-V110 HydrophobicContact CE1-CG2 3.52Å; F106-V110 HydrophobicContact CZ-CG2 4.01Å; F106-V110 WeakPolarHBondContact O-CG2 3.21Å; F106-V110 PolarHBondContact O-N 2.94Å; F106-I129 HydrophobicContact CE2-CG2 4.28Å; F106-I129 HydrophobicContact CZ-CG2 4.33Å; F106-D144 PolarHBondContact N-OD2 2.83Å; F106-V151 HydrophobicContact CD2-CG1 4.37Å; F106-V151 HydrophobicContact CE2-CG1 4.29Å; F106-I155 HydrophobicContact CE2-CD1 4.14Å; F106-V160 HydrophobicContact CD1-CG1 4.22Å; F106-V160 HydrophobicContact CE1-CG1 3.4Å; F106-V160 VanDerWaalsContact CE1-CG1 3.4Å; F106-V160 HydrophobicContact CE2-CG1 3.85Å; F106-V160 HydrophobicContact CZ-CG1 3.2Å
107D77.9Confident69.7Low115 Ų11564.4 Ų64.462%0.61534%0.338SS*.Hα-helixtrans-65.2-38.5179.1-167.3-100.3000113.3T105 I109 V110 T111T105-D107 PolarHBondContact O-N 3.4Å; D107-I109 VanDerWaalsContact C-N 3.3Å; D107-I109 PolarHBondContact O-N 2.95Å; D107-V110 PolarHBondContact O-N 3.34Å; D107-T111 PolarHBondContact O-N 2.94Å; D107-T111 PolarHBondContact O-OG1 2.9Å
108E77.8Confident70.8Confident65 Ų6562.3 Ų62.330%0.30433%0.334SS..Hα-helixtrans-65.8-36174.3-74.1-179.4162.100111.1A84 V104 T105 F106 T111 V112A84-E108 HydrophobicContact CB-CB 4.34Å; V104-E108 HydrophobicContact CG1-CB 3.74Å; V104-E108 WeakPolarHBondContact CG1-OE2 3.36Å; T105-E108 PolarHBondContact O-N 2.92Å; T105-E108 WeakPolarHBondContact OG1-CG 3.29Å; F106-E108 PolarHBondContact O-N 3Å; E108-T111 PolarHBondContact O-N 3.08Å; E108-V112 VanDerWaalsContact O-CG2 3.25Å; E108-V112 WeakPolarHBondContact O-CG2 3.12Å; E108-V112 PolarHBondContact O-N 3.47Å
109I77.4Confident71.5Confident4 Ų462.7 Ų62.72%0.02133%0.328CS..Hα-helixtrans-66.3-42176.4-62.7172.4000110.8V104 T105 F106 D107 T111 V112 A113 I129 I132 L133 I143V104-I109 HydrophobicContact CB-CD1 4.46Å; V104-I109 HydrophobicContact CB-CG1 4.4Å; V104-I109 HydrophobicContact CG1-CD1 4.34Å; V104-I109 HydrophobicContact CG1-CG1 3.78Å; T105-I109 PolarHBondContact O-N 3.21Å; F106-I109 WeakPolarHBondContact O-CB 3.48Å; F106-I109 PolarHBondContact O-N 2.83Å; D107-I109 VanDerWaalsContact C-N 3.3Å; D107-I109 PolarHBondContact O-N 2.95Å; I109-T111 VanDerWaalsContact C-N 3.33Å; I109-V112 PolarHBondContact O-N 3.17Å; I109-A113 WeakPolarHBondContact O-CB 3.4Å; I109-A113 PolarHBondContact O-N 3.3Å; I109-I129 HydrophobicContact CG2-CG2 4.31Å; I109-I132 HydrophobicContact CG2-CG2 3.89Å; I109-L133 HydrophobicContact CD1-CD2 3.89Å; I109-L133 HydrophobicContact CG2-CD2 4.18Å; I109-I143 HydrophobicContact CD1-CB 4.32Å; I109-I143 HydrophobicContact CD1-CD1 3.47Å; I109-I143 VanDerWaalsContact CD1-CD1 3.47Å; I109-I143 HydrophobicContact CD1-CG1 3.64Å; I109-I143 HydrophobicContact CD1-CG2 3.76Å
110V79.5Confident72.2Confident13 Ų1355.7 Ų55.78%0.07930%0.302CS..Hα-helixtrans-64-41.2175.61750000110.7F106 D107 A113 R114 I129 P163F106-V110 HydrophobicContact CD1-CG2 3.92Å; F106-V110 HydrophobicContact CE1-CG2 3.52Å; F106-V110 HydrophobicContact CZ-CG2 4.01Å; F106-V110 WeakPolarHBondContact O-CG2 3.21Å; F106-V110 PolarHBondContact O-N 2.94Å; D107-V110 PolarHBondContact O-N 3.34Å; V110-A113 WeakPolarHBondContact O-CB 3.39Å; V110-A113 PolarHBondContact O-N 3.39Å; V110-R114 WeakPolarHBondContact O-CG 3.48Å; V110-R114 PolarHBondContact O-N 3.3Å; V110-I129 HydrophobicContact CG2-CD1 4.31Å; V110-P163 HydrophobicContact CG1-CG 3.84Å
111T80.8Confident73Confident72 Ų7262.8 Ų62.844%0.44234%0.339SS..Hα-helixtrans-63.5-43.6176.1-58.90000111.5D107 E108 I109 A113 R114 T115D107-T111 PolarHBondContact O-N 2.94Å; D107-T111 PolarHBondContact O-OG1 2.9Å; E108-T111 PolarHBondContact O-N 3.08Å; I109-T111 VanDerWaalsContact C-N 3.33Å; T111-A113 VanDerWaalsContact C-N 3.33Å; T111-A113 PolarHBondContact O-N 3.3Å; T111-R114 PolarHBondContact O-N 2.9Å; T111-T115 WeakPolarHBondContact O-CG2 3.27Å; T111-T115 PolarHBondContact O-N 3.17Å; T111-T115 VanDerWaalsContact O-N 3.13Å
112V79.3Confident73.5Confident13 Ų1359.6 Ų59.68%0.07932%0.319CS..Hα-helixtrans-62.9-41173.8174.30000110.6L80 E108 I109 R114 T115 M116 I132L80-V112 HydrophobicContact CB-CG1 3.7Å; L80-V112 HydrophobicContact CB-CG2 4.03Å; L80-V112 HydrophobicContact CD1-CG1 4.03Å; L80-V112 HydrophobicContact CG-CG1 4.47Å; E108-V112 VanDerWaalsContact O-CG2 3.25Å; E108-V112 WeakPolarHBondContact O-CG2 3.12Å; E108-V112 PolarHBondContact O-N 3.47Å; I109-V112 PolarHBondContact O-N 3.17Å; V112-R114 PolarHBondContact O-N 3.44Å; V112-T115 PolarHBondContact O-N 3.43Å; V112-T115 PolarHBondContact O-OG1 3.06Å; V112-M116 HydrophobicContact CG1-CG 4.38Å; V112-M116 HydrophobicContact CG1-SD 4.3Å; V112-M116 WeakPolarHBondContact O-CG 3.43Å; V112-M116 PolarHBondContact O-N 3.13Å; V112-I132 HydrophobicContact CG1-CD1 4.04Å; V112-I132 HydrophobicContact CG1-CG2 4.22Å
113A76.2Confident73.8Confident0 Ų071 Ų710%036%0.358CS..Hα-helixtrans-58.8-43.8175.800000113I109 V110 T111 T115 M116 R117 T128 I129 I132I109-A113 WeakPolarHBondContact O-CB 3.4Å; I109-A113 PolarHBondContact O-N 3.3Å; V110-A113 WeakPolarHBondContact O-CB 3.39Å; V110-A113 PolarHBondContact O-N 3.39Å; T111-A113 VanDerWaalsContact C-N 3.33Å; T111-A113 PolarHBondContact O-N 3.3Å; A113-T115 PolarHBondContact O-N 3.3Å; A113-M116 CarbonylContact O-C 3.53Å; A113-M116 PolarHBondContact O-N 3.39Å; A113-M116 VanDerWaalsContact O-N 3.17Å; A113-R117 PolarHBondContact O-N 3.23Å; A113-T128 HydrophobicContact CB-CG2 4.06Å; A113-I129 HydrophobicContact CB-CG1 3.7Å; A113-I132 HydrophobicContact CB-CD1 3.54Å
114R77.7Confident74.1Confident116 Ų11673.9 Ų73.944%0.43836%0.363SS..Hα-helixtrans-60.7-44.1174.6-73.8174.2166.7-179.8-5112.4V110 T111 V112 M116 R117 L125 E165V110-R114 WeakPolarHBondContact O-CG 3.48Å; V110-R114 PolarHBondContact O-N 3.3Å; T111-R114 PolarHBondContact O-N 2.9Å; V112-R114 PolarHBondContact O-N 3.44Å; R114-M116 VanDerWaalsContact C-N 3.26Å; R114-M116 PolarHBondContact O-N 3Å; R114-R117 WeakPolarHBondContact O-CB 3.28Å; R114-R117 PolarHBondContact O-N 2.83Å; R114-L125 HydrophobicContact CG-CD2 4.46Å; R114-E165 VanDerWaalsContact CZ-O 3.31Å; R114-E165 PolarHBondContact NE-O 2.96Å; R114-E165 PolarHBondContact NH2-O 3.44Å
115T76.7Confident74Confident73 Ų7374 Ų7445%0.44836%0.363SS..Hα-helixtrans-68.2-24.9177.662.80000113.5T111 V112 A113T111-T115 WeakPolarHBondContact O-CG2 3.27Å; T111-T115 PolarHBondContact O-N 3.17Å; T111-T115 VanDerWaalsContact O-N 3.13Å; V112-T115 PolarHBondContact O-N 3.43Å; V112-T115 PolarHBondContact O-OG1 3.06Å; A113-T115 PolarHBondContact O-N 3.3Å
116M73.3Confident73.7Confident21 Ų2172.1 Ų72.110%0.10335%0.353CS..Hα-helixtrans-92.8-14.7177.6-64.8-159.810300114.1A77 L80 V112 A113 R114 P118 R119 S120 I132A77-M116 WeakPolarHBondContact CA-SD 3.49Å; A77-M116 HydrophobicContact CB-CE 3.55Å; A77-M116 HydrophobicContact CB-SD 3.41Å; A77-M116 WeakPolarHBondContact CB-SD 3.44Å; L80-M116 HydrophobicContact CD1-CE 4.37Å; L80-M116 HydrophobicContact CD1-CG 3.83Å; L80-M116 HydrophobicContact CD1-SD 4.16Å; V112-M116 HydrophobicContact CG1-CG 4.38Å; V112-M116 HydrophobicContact CG1-SD 4.3Å; V112-M116 WeakPolarHBondContact O-CG 3.43Å; V112-M116 PolarHBondContact O-N 3.13Å; A113-M116 CarbonylContact O-C 3.53Å; A113-M116 PolarHBondContact O-N 3.39Å; A113-M116 VanDerWaalsContact O-N 3.17Å; R114-M116 VanDerWaalsContact C-N 3.26Å; R114-M116 PolarHBondContact O-N 3Å; M116-P118 VanDerWaalsContact C-N 3.34Å; M116-R119 WeakPolarHBondContact O-CA 3.32Å; M116-R119 PolarHBondContact O-N 2.94Å; M116-S120 PolarHBondContact O-N 3.29Å; M116-I132 HydrophobicContact CB-CD1 4.35Å; M116-I132 HydrophobicContact SD-CD1 4.24Å; M116-I132 HydrophobicContact SD-CG1 4.23Å
117R68.3Low74Confident109 Ų10971 Ų7141%0.41135%0.354SS..THydrogen-bonded Turntrans-45.3-44.1176.4-162177.7-172-165.90.3114.7A113 R114 R119 S120 L125 E165A113-R117 PolarHBondContact O-N 3.23Å; R114-R117 WeakPolarHBondContact O-CB 3.28Å; R114-R117 PolarHBondContact O-N 2.83Å; R117-R119 PolarHBondContact O-N 3.36Å; R117-R119 VanDerWaalsContact O-N 3.11Å; R117-S120 PolarHBondContact O-N 3.1Å; R117-L125 VanDerWaalsContact CZ-CD1 3.5Å; R117-E165 PolarHBondContact NH1-OXT 3.15Å
118P72.6Confident73.9Confident112 Ų11265.6 Ų65.673%0.72733%0.325SS*.THydrogen-bonded Turntrans-68.4-9.3179.126-35.3000114.6M116M116-P118 VanDerWaalsContact C-N 3.34Å
119R67.8Low73.9Confident106 Ų10662.6 Ų62.640%0.431%0.311SS..THydrogen-bonded Turntrans-116.5-17178.8-71.3-178-68.4164.56.9113.7P75 M116 R117P75-R119 PolarHBondContact O-NH1 3.47Å; P75-R119 PolarHBondContact O-NH2 3.33Å; M116-R119 WeakPolarHBondContact O-CA 3.32Å; M116-R119 PolarHBondContact O-N 2.94Å; R117-R119 PolarHBondContact O-N 3.36Å; R117-R119 VanDerWaalsContact O-N 3.11Å
120S68.1Low73.9Confident31 Ų3165.4 Ų65.422%0.21732%0.324CS..  trans-74.6136.4173.1-82.20000110.3M116 R117 T128 E131M116-S120 PolarHBondContact O-N 3.29Å; R117-S120 PolarHBondContact O-N 3.1Å; S120-T128 WeakPolarHBondContact OG-CG2 3.39Å; S120-E131 PolarHBondContact OG-OE2 2.96Å
121I72.6Confident74Confident164 Ų16469.5 Ų69.584%0.84134%0.342SS*.  trans-86.92.1176.1-54.8167.6000110.2
122A66.8Low74Confident34 Ų3466.3 Ų66.328%0.28132%0.322SS..  trans-62.6135.6177.600000111.2E124A122-E124 VanDerWaalsContact C-N 3.28Å; A122-E124 PolarHBondContact O-N 2.83Å
123R67.9Low74Confident253 Ų25365.7 Ų65.796%0.95532%0.318SS*.SBendtrans-68.7-28.7176.6-69.7-177.2175.6-173-1.5112.6
124E74Confident74.2Confident134 Ų13467 Ų6763%0.62633%0.331SS*.SBendtrans-131.8150.7-175.3-62.5-177.6146.300110.5A122 S126 G127 T128A122-E124 VanDerWaalsContact C-N 3.28Å; A122-E124 PolarHBondContact O-N 2.83Å; E124-S126 VanDerWaalsContact CB-OG 3.23Å; E124-S126 WeakPolarHBondContact CB-OG 3.33Å; E124-S126 PolarHBondContact O-N 3.25Å; E124-S126 PolarHBondContact OE2-OG 3.03Å; E124-G127 WeakPolarHBondContact O-CA 3.43Å; E124-G127 PolarHBondContact O-N 3.16Å; E124-T128 PolarHBondContact O-N 3.14Å
125L69.3Low74.2Confident9 Ų963.3 Ų63.35%0.04732%0.322CS..Hα-helixtrans-59.8-30.5174.1-90.5144.3000113R114 R117 G127 T128 I129 E165R114-L125 HydrophobicContact CG-CD2 4.46Å; R117-L125 VanDerWaalsContact CZ-CD1 3.5Å; L125-G127 PolarHBondContact O-N 3.21Å; L125-T128 PolarHBondContact O-N 2.97Å; L125-T128 VanDerWaalsContact O-N 3.16Å; L125-I129 VanDerWaalsContact O-CG1 3.28Å; L125-I129 WeakPolarHBondContact O-CG1 3.32Å; L125-I129 PolarHBondContact O-N 3.08Å; L125-E165 VanDerWaalsContact CD1-N 3.27Å; L125-E165 WeakPolarHBondContact CD1-OXT 3.39Å
126S71.8Confident74.1Confident24 Ų2459.9 Ų59.917%0.16830%0.301CS..Hα-helixtrans-55.5-38.9171.158.30000111.6E124 K130E124-S126 VanDerWaalsContact CB-OG 3.23Å; E124-S126 WeakPolarHBondContact CB-OG 3.33Å; E124-S126 PolarHBondContact O-N 3.25Å; E124-S126 PolarHBondContact OE2-OG 3.03Å; S126-K130 VanDerWaalsContact O-CG 3.3Å; S126-K130 WeakPolarHBondContact O-CG 3.11Å; S126-K130 PolarHBondContact O-N 3.4Å
127G77.5Confident74.3Confident23 Ų2364.1 Ų64.124%0.23732%0.321CS..Hα-helixtrans-68.2-46.1174.500000112.2E124 L125 I129 K130 E131E124-G127 WeakPolarHBondContact O-CA 3.43Å; E124-G127 PolarHBondContact O-N 3.16Å; L125-G127 PolarHBondContact O-N 3.21Å; G127-I129 VanDerWaalsContact C-N 3.33Å; G127-I129 PolarHBondContact O-N 3.15Å; G127-K130 PolarHBondContact O-N 3.13Å; G127-E131 WeakPolarHBondContact O-CG 3.29Å; G127-E131 PolarHBondContact O-N 3.18Å
128T76.2Confident74.5Confident2 Ų264.2 Ų64.21%0.01234%0.338CS..Hα-helixtrans-62.6-38.6178-54.10000112.4A113 S120 E124 L125 E131 I132A113-T128 HydrophobicContact CB-CG2 4.06Å; S120-T128 WeakPolarHBondContact OG-CG2 3.39Å; E124-T128 PolarHBondContact O-N 3.14Å; L125-T128 PolarHBondContact O-N 2.97Å; L125-T128 VanDerWaalsContact O-N 3.16Å; T128-E131 PolarHBondContact O-N 2.95Å; T128-I132 HydrophobicContact CG2-CD1 4.03Å; T128-I132 WeakPolarHBondContact O-CD1 3.43Å; T128-I132 WeakPolarHBondContact O-CG1 3.33Å; T128-I132 PolarHBondContact O-N 3.17Å
129I77.6Confident74.4Confident1 Ų160 Ų601%0.00531%0.31CS..Hα-helixtrans-62.8-46.6174.9-67.4164.3000109.6F106 I109 V110 A113 L125 G127 E131 I132 L133 I155 C162F106-I129 HydrophobicContact CE2-CG2 4.28Å; F106-I129 HydrophobicContact CZ-CG2 4.33Å; I109-I129 HydrophobicContact CG2-CG2 4.31Å; V110-I129 HydrophobicContact CG2-CD1 4.31Å; A113-I129 HydrophobicContact CB-CG1 3.7Å; L125-I129 VanDerWaalsContact O-CG1 3.28Å; L125-I129 WeakPolarHBondContact O-CG1 3.32Å; L125-I129 PolarHBondContact O-N 3.08Å; G127-I129 VanDerWaalsContact C-N 3.33Å; G127-I129 PolarHBondContact O-N 3.15Å; I129-E131 VanDerWaalsContact C-N 3.33Å; I129-E131 PolarHBondContact O-N 3.07Å; I129-I132 PolarHBondContact O-N 2.88Å; I129-I132 VanDerWaalsContact O-N 3.1Å; I129-L133 HydrophobicContact CG2-CD1 3.83Å; I129-L133 HydrophobicContact CG2-CG 4.19Å; I129-L133 WeakPolarHBondContact O-CG 3.48Å; I129-L133 PolarHBondContact O-N 2.84Å; I129-I155 HydrophobicContact CG2-CD1 3.93Å; I129-C162 HydrophobicContact CD1-CB 4.13Å
130K78.9Confident74.4Confident64 Ų6456.7 Ų56.728%0.27831%0.309SS..Hα-helixtrans-59.5-40.2175.9-70.3172.2-167.71790113.1S126 G127 I132 L133 G134 I155 N156S126-K130 VanDerWaalsContact O-CG 3.3Å; S126-K130 WeakPolarHBondContact O-CG 3.11Å; S126-K130 PolarHBondContact O-N 3.4Å; G127-K130 PolarHBondContact O-N 3.13Å; K130-I132 VanDerWaalsContact C-N 3.31Å; K130-I132 PolarHBondContact O-N 2.92Å; K130-L133 PolarHBondContact O-N 2.87Å; K130-G134 PolarHBondContact O-N 2.85Å; K130-I155 VanDerWaalsContact CE-CG2 3.42Å; K130-I155 HydrophobicContact CG-CG2 4.34Å; K130-N156 VanDerWaalsContact CE-OD1 3.31Å; K130-N156 WeakPolarHBondContact CE-OD1 3.33Å; K130-N156 PolarHBondContact NZ-OD1 3.32Å
131E81Confident74.5Confident99 Ų9955.3 Ų55.346%0.46330%0.299SS..Hα-helixtrans-59.6-44.5174.4-69.8-178.7118.900111.1S120 G127 T128 I129 G134 T135S120-E131 PolarHBondContact OG-OE2 2.96Å; G127-E131 WeakPolarHBondContact O-CG 3.29Å; G127-E131 PolarHBondContact O-N 3.18Å; T128-E131 PolarHBondContact O-N 2.95Å; I129-E131 VanDerWaalsContact C-N 3.33Å; I129-E131 PolarHBondContact O-N 3.07Å; E131-G134 PolarHBondContact O-N 3.16Å; E131-T135 PolarHBondContact O-N 2.83Å
132I80.4Confident74.4Confident4 Ų449.6 Ų49.62%0.02127%0.272CS..Hα-helixtrans-69.2-39.8-179.4-69.7164.2000111.2I81 I109 V112 A113 M116 T128 I129 K130 G134 T135 A136I81-I132 HydrophobicContact CD1-CG2 4.06Å; I81-I132 HydrophobicContact CG1-CG2 4.32Å; I109-I132 HydrophobicContact CG2-CG2 3.89Å; V112-I132 HydrophobicContact CG1-CD1 4.04Å; V112-I132 HydrophobicContact CG1-CG2 4.22Å; A113-I132 HydrophobicContact CB-CD1 3.54Å; M116-I132 HydrophobicContact CB-CD1 4.35Å; M116-I132 HydrophobicContact SD-CD1 4.24Å; M116-I132 HydrophobicContact SD-CG1 4.23Å; T128-I132 HydrophobicContact CG2-CD1 4.03Å; T128-I132 WeakPolarHBondContact O-CD1 3.43Å; T128-I132 WeakPolarHBondContact O-CG1 3.33Å; T128-I132 PolarHBondContact O-N 3.17Å; I129-I132 PolarHBondContact O-N 2.88Å; I129-I132 VanDerWaalsContact O-N 3.1Å; K130-I132 VanDerWaalsContact C-N 3.31Å; K130-I132 PolarHBondContact O-N 2.92Å; I132-G134 VanDerWaalsContact C-N 3.32Å; I132-G134 PolarHBondContact O-N 2.87Å; I132-T135 WeakPolarHBondContact CA-OG1 3.34Å; I132-T135 CarbonylContact O-C 3.59Å; I132-T135 PolarHBondContact O-N 2.81Å; I132-T135 VanDerWaalsContact O-N 3.1Å; I132-T135 PolarHBondContact O-OG1 2.96Å; I132-A136 PolarHBondContact O-N 3.45Å
133L79.1Confident74.5Confident0 Ų048.2 Ų48.20%026%0.26CS..Hα-helixtrans-58.9-42.2173.1-66.6171.2000112I109 I129 K130 T135 A136 Q137 I143 V151 I152 I155I109-L133 HydrophobicContact CD1-CD2 3.89Å; I109-L133 HydrophobicContact CG2-CD2 4.18Å; I129-L133 HydrophobicContact CG2-CD1 3.83Å; I129-L133 HydrophobicContact CG2-CG 4.19Å; I129-L133 WeakPolarHBondContact O-CG 3.48Å; I129-L133 PolarHBondContact O-N 2.84Å; K130-L133 PolarHBondContact O-N 2.87Å; L133-T135 VanDerWaalsContact C-N 3.33Å; L133-T135 PolarHBondContact O-N 3.47Å; L133-A136 WeakPolarHBondContact O-CB 3.44Å; L133-A136 PolarHBondContact O-N 3.24Å; L133-Q137 PolarHBondContact O-N 3.28Å; L133-I143 HydrophobicContact CD2-CD1 2.98Å; L133-I143 HydrophobicContact CD2-CG1 4.42Å; L133-I143 HydrophobicContact CG-CD1 4.41Å; L133-V151 HydrophobicContact CD1-CG1 4.07Å; L133-V151 HydrophobicContact CD2-CG1 4.06Å; L133-I152 HydrophobicContact CB-CD1 4.13Å; L133-I152 HydrophobicContact CB-CG1 3.92Å; L133-I152 HydrophobicContact CD1-CG1 3.92Å; L133-I155 HydrophobicContact CD1-CD1 3.23Å
134G80.4Confident74.5Confident27 Ų2741.5 Ų41.528%0.27824%0.243SC..Hα-helixtrans-62.9-38.5173.700000112.7K130 E131 I132 S138K130-G134 PolarHBondContact O-N 2.85Å; E131-G134 PolarHBondContact O-N 3.16Å; I132-G134 VanDerWaalsContact C-N 3.32Å; I132-G134 PolarHBondContact O-N 2.87Å; G134-S138 PolarHBondContact O-N 2.96Å; G134-S138 PolarHBondContact O-OG 2.8Å
135T78.3Confident74.2Confident39 Ų3938 Ų3824%0.23924%0.242CC..Hα-helixtrans-70.7-32.717461.40000112.9A77 I81 E131 I132 L133 S138 V139A77-T135 HydrophobicContact CB-CG2 4.11Å; I81-T135 WeakPolarHBondContact CD1-OG1 3.48Å; E131-T135 PolarHBondContact O-N 2.83Å; I132-T135 WeakPolarHBondContact CA-OG1 3.34Å; I132-T135 CarbonylContact O-C 3.59Å; I132-T135 PolarHBondContact O-N 2.81Å; I132-T135 VanDerWaalsContact O-N 3.1Å; I132-T135 PolarHBondContact O-OG1 2.96Å; L133-T135 VanDerWaalsContact C-N 3.33Å; L133-T135 PolarHBondContact O-N 3.47Å; T135-S138 WeakPolarHBondContact O-CB 3.3Å; T135-S138 PolarHBondContact O-N 2.92Å; T135-V139 WeakPolarHBondContact O-CG2 3.29Å; T135-V139 PolarHBondContact O-N 3.18Å; T135-V139 VanDerWaalsContact O-N 3.13Å
136A74.5Confident74.3Confident2 Ų244 Ų442%0.01727%0.265CS..Hα-helixtrans-64.6-40.2175.200000111.4I81 I132 L133 S138 V139 G140 C141I81-A136 HydrophobicContact CD1-CB 4.16Å; I132-A136 PolarHBondContact O-N 3.45Å; L133-A136 WeakPolarHBondContact O-CB 3.44Å; L133-A136 PolarHBondContact O-N 3.24Å; A136-S138 VanDerWaalsContact C-N 3.31Å; A136-S138 PolarHBondContact O-N 2.94Å; A136-V139 PolarHBondContact O-N 2.92Å; A136-V139 VanDerWaalsContact O-N 3.15Å; A136-G140 PolarHBondContact O-N 2.61Å; A136-C141 HydrophobicContact CB-CB 4.21Å; A136-C141 PolarHBondContact O-N 2.77Å
137Q77.3Confident74.4Confident110 Ų11045.8 Ų45.851%0.51428%0.276SS..Hα-helixtrans-58.5-42.5172.1-172.1177.62.700112.4L133 V139 G140 P148L133-Q137 PolarHBondContact O-N 3.28Å; Q137-V139 VanDerWaalsContact C-N 3.25Å; Q137-V139 PolarHBondContact O-N 3Å; Q137-G140 PolarHBondContact O-N 3.29Å; Q137-G140 VanDerWaalsContact O-N 3.15Å; Q137-P148 HydrophobicContact CB-CB 4.27Å; Q137-P148 HydrophobicContact CB-CG 3.56Å; Q137-P148 HydrophobicContact CG-CG 3.85Å
138S71.6Confident74.2Confident110 Ų11045.3 Ų45.377%0.76927%0.268SS*.Hα-helixtrans-67.3-27.3178.9-60.90000112.9G134 T135 A136G134-S138 PolarHBondContact O-N 2.96Å; G134-S138 PolarHBondContact O-OG 2.8Å; T135-S138 WeakPolarHBondContact O-CB 3.3Å; T135-S138 PolarHBondContact O-N 2.92Å; A136-S138 VanDerWaalsContact C-N 3.31Å; A136-S138 PolarHBondContact O-N 2.94Å
139V71.5Confident74.1Confident25 Ų2550.7 Ų50.715%0.15229%0.293CS..Hα-helixtrans-79.9-29.5173.8176.90000110.8I82 L85 H100 T135 A136 Q137 C141I82-V139 HydrophobicContact CD1-CG1 4.39Å; I82-V139 HydrophobicContact CG1-CG1 3.93Å; L85-V139 HydrophobicContact CD1-CG1 4.41Å; H100-V139 HydrophobicContact CB-CG1 4.08Å; H100-V139 WeakPolarHBondContact CB-O 3.39Å; T135-V139 WeakPolarHBondContact O-CG2 3.29Å; T135-V139 PolarHBondContact O-N 3.18Å; T135-V139 VanDerWaalsContact O-N 3.13Å; A136-V139 PolarHBondContact O-N 2.92Å; A136-V139 VanDerWaalsContact O-N 3.15Å; Q137-V139 VanDerWaalsContact C-N 3.25Å; Q137-V139 PolarHBondContact O-N 3Å; V139-C141 VanDerWaalsContact CG1-SG 3.55Å
140G68.2Low74Confident36 Ų3654.4 Ų54.437%0.37131%0.313SS..THydrogen-bonded Turntrans105.68.1-179.300000114H100 A136 Q137H100-G140 CarbonylContact O-C 3.53Å; H100-G140 WeakPolarHBondContact O-CA 3.36Å; A136-G140 PolarHBondContact O-N 2.61Å; Q137-G140 PolarHBondContact O-N 3.29Å; Q137-G140 VanDerWaalsContact O-N 3.15Å
141C69.6Low73.8Confident1 Ų152 Ų521%0.00730%0.303CS..  trans-71.4140.1-175.8-45.90000111.7I81 L85 G102 V104 A136 V139I81-C141 VanDerWaalsContact CG2-SG 3.51Å; L85-C141 HydrophobicContact CD1-CB 4.43Å; L85-C141 WeakPolarHBondContact CD1-SG 3.45Å; G102-C141 VanDerWaalsContact O-CA 3.29Å; G102-C141 WeakPolarHBondContact O-CA 2.88Å; V104-C141 HydrophobicContact CG2-CB 4.08Å; A136-C141 HydrophobicContact CB-CB 4.21Å; A136-C141 PolarHBondContact O-N 2.77Å; V139-C141 VanDerWaalsContact CG1-SG 3.55Å
142T70.8Confident73.6Confident45 Ų4548.9 Ų48.928%0.27629%0.29SS..EExtended strand (participates in β ladder)trans-94.5158.6163.947.30000109.9G102 S103 V104G102-T142 PolarHBondContact O-N 3.32Å; G102-T142 VanDerWaalsContact O-N 3.08Å; S103-T142 CarbonylContact C-O 3.57Å; S103-T142 VanDerWaalsContact CA-O 3.25Å; S103-T142 WeakPolarHBondContact CA-O 3.43Å; S103-T142 PolarHBondContact OG-OG1 3.04Å; V104-T142 PolarHBondContact N-O 3.22Å
143I69.4Low73.5Confident4 Ų452.5 Ų52.52%0.02131%0.309CS..EExtended strand (participates in β ladder)trans-122.1112-178.3-55.7170000106.8V104 I109 L133 G145 R146 P148 V151V104-I143 WeakPolarHBondContact O-CA 3.21Å; I109-I143 HydrophobicContact CD1-CB 4.32Å; I109-I143 HydrophobicContact CD1-CD1 3.47Å; I109-I143 VanDerWaalsContact CD1-CD1 3.47Å; I109-I143 HydrophobicContact CD1-CG1 3.64Å; I109-I143 HydrophobicContact CD1-CG2 3.76Å; L133-I143 HydrophobicContact CD2-CD1 2.98Å; L133-I143 HydrophobicContact CD2-CG1 4.42Å; L133-I143 HydrophobicContact CG-CD1 4.41Å; I143-G145 PolarHBondContact O-N 3.19Å; I143-R146 PolarHBondContact N-O 2.84Å; I143-R146 WeakPolarHBondContact O-CB 3.36Å; I143-R146 PolarHBondContact O-N 3.17Å; I143-P148 HydrophobicContact CD1-CB 4.14Å; I143-V151 HydrophobicContact CB-CG2 4.13Å; I143-V151 HydrophobicContact CD1-CB 4.41Å; I143-V151 HydrophobicContact CD1-CG1 4.39Å; I143-V151 HydrophobicContact CD1-CG2 4.33Å; I143-V151 HydrophobicContact CG2-CG2 4.33Å
144D67Low73.3Confident112 Ų11254 Ų5460%0.59932%0.317SS*.THydrogen-bonded Turntrans48.137.1-173.5-83.2-86.1000112.9V104 F106 R146V104-D144 PolarHBondContact O-N 3.15Å; F106-D144 PolarHBondContact N-OD2 2.83Å; D144-R146 VanDerWaalsContact C-N 3.25Å; D144-R146 PolarHBondContact O-N 3.09Å
145G67.1Low72.9Confident60 Ų6053.2 Ų53.262%0.61931%0.306SS*.THydrogen-bonded Turntrans76.10.1-178.800000115.8I143I143-G145 PolarHBondContact O-N 3.19Å
146R71.8Confident72.6Confident137 Ų13756 Ų5652%0.51732%0.32SS..BIsolated β-bridgetrans-94.1150.6173.7-63.4-173.7-174.3-175.93.1111.7I143 D144 V151 D154I143-R146 PolarHBondContact N-O 2.84Å; I143-R146 WeakPolarHBondContact O-CB 3.36Å; I143-R146 PolarHBondContact O-N 3.17Å; D144-R146 VanDerWaalsContact C-N 3.25Å; D144-R146 PolarHBondContact O-N 3.09Å; R146-V151 HydrophobicContact CB-CG2 4.2Å; R146-D154 IonicContact NH1-OD2 3.16Å; R146-D154 PolarHBondContact NH1-OD2 3.41Å
147P74.3Confident72.3Confident61 Ų6159.3 Ų59.340%0.39634%0.343SS..  trans-67.3144.7169.930.2-34000109.6H149 D150 V151P147-H149 PolarHBondContact O-N 2.83Å; P147-D150 VanDerWaalsContact CD-OD2 3.32Å; P147-D150 WeakPolarHBondContact CD-OD2 3.06Å; P147-D150 HydrophobicContact CG-CB 4.19Å; P147-D150 WeakPolarHBondContact CG-OD2 3.32Å; P147-D150 PolarHBondContact O-N 2.94Å; P147-D150 VanDerWaalsContact O-N 3.14Å; P147-V151 PolarHBondContact O-N 3.22Å
148P72.4Confident71.5Confident12 Ų1256.9 Ų56.98%0.07835%0.347CS..Hα-helixtrans-60.8-19.7-179.320.2-30.2000113.4Q137 I143 I152Q137-P148 HydrophobicContact CB-CB 4.27Å; Q137-P148 HydrophobicContact CB-CG 3.56Å; Q137-P148 HydrophobicContact CG-CG 3.85Å; I143-P148 HydrophobicContact CD1-CB 4.14Å; P148-I152 WeakPolarHBondContact O-CD1 3.39Å; P148-I152 WeakPolarHBondContact O-CG1 3.15Å; P148-I152 PolarHBondContact O-N 2.98Å
149H75.3Confident70.6Confident116 Ų11659 Ų5954%0.53734%0.343SS..Hα-helixtrans-65.1-47.7174.8-155.662000112P147 V151 I152 D153P147-H149 PolarHBondContact O-N 2.83Å; H149-V151 VanDerWaalsContact C-N 3.27Å; H149-V151 PolarHBondContact O-N 3.25Å; H149-I152 WeakPolarHBondContact O-CB 3.33Å; H149-I152 PolarHBondContact O-N 3.23Å; H149-I152 VanDerWaalsContact O-N 3.09Å; H149-D153 IonicContact CD2-OD2 3.91Å; H149-D153 PolarHBondContact O-N 2.94Å
150D75.6Confident69.8Low79 Ų7959.7 Ų59.742%0.42235%0.347SS..Hα-helixtrans-64.4-35.3178.9-66-19.6000111.4P147 D153 D154P147-D150 VanDerWaalsContact CD-OD2 3.32Å; P147-D150 WeakPolarHBondContact CD-OD2 3.06Å; P147-D150 HydrophobicContact CG-CB 4.19Å; P147-D150 WeakPolarHBondContact CG-OD2 3.32Å; P147-D150 PolarHBondContact O-N 2.94Å; P147-D150 VanDerWaalsContact O-N 3.14Å; D150-D153 PolarHBondContact O-N 3.28Å; D150-D154 WeakPolarHBondContact O-CB 3.43Å; D150-D154 PolarHBondContact O-N 3.16Å
151V73.9Confident68.8Low13 Ų1366.7 Ų66.78%0.07937%0.37CS..Hα-helixtrans-68.5-36.4175.6-177.90000111.2F106 L133 I143 R146 P147 H149 D153 D154 I155F106-V151 HydrophobicContact CD2-CG1 4.37Å; F106-V151 HydrophobicContact CE2-CG1 4.29Å; L133-V151 HydrophobicContact CD1-CG1 4.07Å; L133-V151 HydrophobicContact CD2-CG1 4.06Å; I143-V151 HydrophobicContact CB-CG2 4.13Å; I143-V151 HydrophobicContact CD1-CB 4.41Å; I143-V151 HydrophobicContact CD1-CG1 4.39Å; I143-V151 HydrophobicContact CD1-CG2 4.33Å; I143-V151 HydrophobicContact CG2-CG2 4.33Å; R146-V151 HydrophobicContact CB-CG2 4.2Å; P147-V151 PolarHBondContact O-N 3.22Å; H149-V151 VanDerWaalsContact C-N 3.27Å; H149-V151 PolarHBondContact O-N 3.25Å; V151-D153 VanDerWaalsContact C-N 3.34Å; V151-D154 PolarHBondContact O-N 3.37Å; V151-I155 HydrophobicContact CG1-CD1 3.98Å; V151-I155 WeakPolarHBondContact O-CB 3.4Å; V151-I155 VanDerWaalsContact O-CD1 3.31Å; V151-I155 WeakPolarHBondContact O-CD1 3.33Å; V151-I155 WeakPolarHBondContact O-CG1 3.41Å; V151-I155 PolarHBondContact O-N 3.44Å
152I76.6Confident67.9Low33 Ų3368.3 Ų68.317%0.16938%0.381CS..Hα-helixtrans-65.1-40.1173.9-69.7161.7000110.5L133 P148 H149 I155 N156L133-I152 HydrophobicContact CB-CD1 4.13Å; L133-I152 HydrophobicContact CB-CG1 3.92Å; L133-I152 HydrophobicContact CD1-CG1 3.92Å; P148-I152 WeakPolarHBondContact O-CD1 3.39Å; P148-I152 WeakPolarHBondContact O-CG1 3.15Å; P148-I152 PolarHBondContact O-N 2.98Å; H149-I152 WeakPolarHBondContact O-CB 3.33Å; H149-I152 PolarHBondContact O-N 3.23Å; H149-I152 VanDerWaalsContact O-N 3.09Å; I152-I155 PolarHBondContact O-N 3.22Å; I152-N156 WeakPolarHBondContact O-CB 3.36Å; I152-N156 PolarHBondContact O-N 3.08Å; I152-N156 PolarHBondContact O-ND2 3.24Å
153D78.5Confident67.1Low80 Ų8068.8 Ų68.843%0.42838%0.384SS..Hα-helixtrans-69.8-38.1175.6-82.9-61.6000113.1H149 D150 V151 I155 N156 S157H149-D153 IonicContact CD2-OD2 3.91Å; H149-D153 PolarHBondContact O-N 2.94Å; D150-D153 PolarHBondContact O-N 3.28Å; V151-D153 VanDerWaalsContact C-N 3.34Å; D153-I155 VanDerWaalsContact C-N 3.29Å; D153-I155 PolarHBondContact O-N 3.17Å; D153-N156 PolarHBondContact O-N 2.83Å; D153-S157 WeakPolarHBondContact O-CB 3.45Å; D153-S157 PolarHBondContact O-N 2.84Å; D153-S157 PolarHBondContact O-OG 3.12Å
154D74.8Confident65.9Low31 Ų3173.8 Ų73.817%0.16642%0.42CS..Hα-helixtrans-63.8-33.9171.9-88.9-47.6000111.6R146 D150 V151 S157 G158 K159 V160R146-D154 IonicContact NH1-OD2 3.16Å; R146-D154 PolarHBondContact NH1-OD2 3.41Å; D150-D154 WeakPolarHBondContact O-CB 3.43Å; D150-D154 PolarHBondContact O-N 3.16Å; V151-D154 PolarHBondContact O-N 3.37Å; D154-S157 VanDerWaalsContact CA-OG 3.3Å; D154-S157 WeakPolarHBondContact CA-OG 3.28Å; D154-S157 PolarHBondContact O-OG 3.19Å; D154-S157 VanDerWaalsContact O-OG 3.09Å; D154-G158 PolarHBondContact O-N 2.94Å; D154-K159 PolarHBondContact O-N 3.33Å; D154-K159 WeakPolarHBondContact OD1-CD 3.2Å; D154-K159 IonicContact OD1-NZ 3.71Å; D154-V160 HydrophobicContact CB-CG2 4.15Å
155I73.3Confident64.7Low12 Ų1276.3 Ų76.36%0.06243%0.428CS..Hα-helixtrans-75-38.7173.5-66.6162000111.6F106 I129 K130 L133 V151 I152 D153 S157 G158 V160F106-I155 HydrophobicContact CE2-CD1 4.14Å; I129-I155 HydrophobicContact CG2-CD1 3.93Å; K130-I155 VanDerWaalsContact CE-CG2 3.42Å; K130-I155 HydrophobicContact CG-CG2 4.34Å; L133-I155 HydrophobicContact CD1-CD1 3.23Å; V151-I155 HydrophobicContact CG1-CD1 3.98Å; V151-I155 WeakPolarHBondContact O-CB 3.4Å; V151-I155 VanDerWaalsContact O-CD1 3.31Å; V151-I155 WeakPolarHBondContact O-CD1 3.33Å; V151-I155 WeakPolarHBondContact O-CG1 3.41Å; V151-I155 PolarHBondContact O-N 3.44Å; I152-I155 PolarHBondContact O-N 3.22Å; D153-I155 VanDerWaalsContact C-N 3.29Å; D153-I155 PolarHBondContact O-N 3.17Å; I155-S157 VanDerWaalsContact C-N 3.29Å; I155-S157 PolarHBondContact O-N 3.22Å; I155-G158 PolarHBondContact O-N 3.42Å; I155-V160 HydrophobicContact CG1-CB 3.92Å; I155-V160 HydrophobicContact CG1-CG1 4.29Å; I155-V160 HydrophobicContact CG1-CG2 4.35Å
156N71.9Confident64.5Low97 Ų9777.2 Ų77.252%0.51942%0.419SS..Hα-helixtrans-65.8-34.1174.6-78.6-30.9000112.1K130 I152 D153 G158K130-N156 VanDerWaalsContact CE-OD1 3.31Å; K130-N156 WeakPolarHBondContact CE-OD1 3.33Å; K130-N156 PolarHBondContact NZ-OD1 3.32Å; I152-N156 WeakPolarHBondContact O-CB 3.36Å; I152-N156 PolarHBondContact O-N 3.08Å; I152-N156 PolarHBondContact O-ND2 3.24Å; D153-N156 PolarHBondContact O-N 2.83Å; N156-G158 PolarHBondContact O-N 2.96Å
157S67.3Low64.2Low72 Ų7274 Ų7450%0.50341%0.413SS..THydrogen-bonded Turntrans-81.2-1.4175.760.90000113.7D153 D154 I155 K159D153-S157 WeakPolarHBondContact O-CB 3.45Å; D153-S157 PolarHBondContact O-N 2.84Å; D153-S157 PolarHBondContact O-OG 3.12Å; D154-S157 VanDerWaalsContact CA-OG 3.3Å; D154-S157 WeakPolarHBondContact CA-OG 3.28Å; D154-S157 PolarHBondContact O-OG 3.19Å; D154-S157 VanDerWaalsContact O-OG 3.09Å; I155-S157 VanDerWaalsContact C-N 3.29Å; I155-S157 PolarHBondContact O-N 3.22Å; S157-K159 VanDerWaalsContact C-N 3.31Å; S157-K159 PolarHBondContact O-N 2.87Å
158G60.3Low63.6Low58 Ų5874.7 Ų74.760%0.59841%0.414SS*.THydrogen-bonded Turntrans74.315.317400000114.8D154 I155 N156 V160D154-G158 PolarHBondContact O-N 2.94Å; I155-G158 PolarHBondContact O-N 3.42Å; N156-G158 PolarHBondContact O-N 2.96Å; G158-V160 VanDerWaalsContact C-N 3.34Å
159K53Low63.1Low156 Ų15678.4 Ų78.468%0.67843%0.434SS*.  trans-77.8-19.9178.5-76.9171.3177.4172.20113.7D154 S157D154-K159 PolarHBondContact O-N 3.33Å; D154-K159 WeakPolarHBondContact OD1-CD 3.2Å; D154-K159 IonicContact OD1-NZ 3.71Å; S157-K159 VanDerWaalsContact C-N 3.31Å; S157-K159 PolarHBondContact O-N 2.87Å
160V54.3Low62.3Low39 Ų3976.1 Ų76.124%0.23643%0.428CS..SBendtrans-108.6108.4178-179.10000108.4F106 D154 I155 G158 C162F106-V160 HydrophobicContact CD1-CG1 4.22Å; F106-V160 HydrophobicContact CE1-CG1 3.4Å; F106-V160 VanDerWaalsContact CE1-CG1 3.4Å; F106-V160 HydrophobicContact CE2-CG1 3.85Å; F106-V160 HydrophobicContact CZ-CG1 3.2Å; D154-V160 HydrophobicContact CB-CG2 4.15Å; I155-V160 HydrophobicContact CG1-CB 3.92Å; I155-V160 HydrophobicContact CG1-CG1 4.29Å; I155-V160 HydrophobicContact CG1-CG2 4.35Å; G158-V160 VanDerWaalsContact C-N 3.34Å; V160-C162 PolarHBondContact O-N 3Å; V160-C162 VanDerWaalsContact O-N 3.08Å
161E48.7Very low61.4Low183 Ų18375.9 Ų75.986%0.85543%0.428SS*.  trans-59.7113.4173.9-72.9-179.684.700109P163E161-P163 WeakPolarHBondContact O-CD 3.3Å
162C50.3Low60.5Low35 Ų3580.4 Ų80.424%0.23645%0.453CS..  trans-83.4104170-61.90000106.5I129 V160 S164I129-C162 HydrophobicContact CD1-CB 4.13Å; V160-C162 PolarHBondContact O-N 3Å; V160-C162 VanDerWaalsContact O-N 3.08Å; C162-S164 PolarHBondContact O-N 3.1Å
163P53.4Low59.3Low54 Ų5484 Ų8435%0.35148%0.475SS..  trans-57.4127.7177.222.8-32.5000109V110 E161 E165V110-P163 HydrophobicContact CG1-CG 3.84Å; E161-P163 WeakPolarHBondContact O-CD 3.3Å; P163-E165 PolarHBondContact O-N 3.37Å; P163-E165 VanDerWaalsContact O-N 3.08Å
164S44.3Very low57.7Low110 Ų11084.3 Ų84.377%0.76948%0.479SS*.  trans-78.617.7-167.1350000115.2C162C162-S164 PolarHBondContact O-N 3.1Å
165E40.7Very low56.1Low165 Ų16589.2 Ų89.277%0.77151%0.507SS*.  trans-126.60178.3-117.2-179.995.600114.1R114 R117 L125 P163R114-E165 VanDerWaalsContact CZ-O 3.31Å; R114-E165 PolarHBondContact NE-O 2.96Å; R114-E165 PolarHBondContact NH2-O 3.44Å; R117-E165 PolarHBondContact NH1-OXT 3.15Å; L125-E165 VanDerWaalsContact CD1-N 3.27Å; L125-E165 WeakPolarHBondContact CD1-OXT 3.39Å; P163-E165 PolarHBondContact O-N 3.37Å; P163-E165 VanDerWaalsContact O-N 3.08Å

Retrieved 165 of 165 residues in 415.5 ms (Link to these results)