A0A060YL42_ONCMY Loading...

Large ribosomal subunit protein uL14m

AlphaFold DB , UniProt , Accession A0A060YL42, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 146 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 low44Very low248 Ų248150.1 Ų150.1100%1.22285%0.853SS**  0124.90-81.3-172.3134.800108.1
2A41.3Very low44.3Very low104 Ų104152.3 Ų152.386%0.8686%0.859SS**  trans-75.9145.4-154.500000114.8
3L38.4Very low44.7Very low167 Ų167147.8 Ų147.887%0.87485%0.853SS**  trans-64.3136.7179.7-75.8150000112.5S5L3-S5 PolarHBondContact O-N 3.26Å
4I49.7Very low45.2Very low174 Ų174150.5 Ų150.589%0.89285%0.854SS**  trans-70.6105.1165.1-63.7164.6000107.7
5S39.9Very low45.5Very low98 Ų98151.9 Ų151.969%0.68586%0.857SS**  trans-143.494.7158.666.50000109.3L3L3-S5 PolarHBondContact O-N 3.26Å
6R39.3Very low45.7Very low246 Ų246149.6 Ų149.693%0.92885%0.853SS**  trans-105.578159.7-64.2-170.1105.8-165.25.6106.6C8R6-C8 PolarHBondContact O-N 3.25Å; R6-C8 VanDerWaalsContact O-N 3.11Å
7S47.4Very low46.3Very low91 Ų91146.6 Ų146.664%0.63684%0.844SS**  trans-57.7112.7160.549.90000107S9S7-S9 PolarHBondContact O-N 3.32Å; S7-S9 PolarHBondContact O-OG 2.78Å; S7-S9 PolarHBondContact OG-OG 3.11Å
8C45.3Very low46.5Very low147 Ų147147.4 Ų147.499%0.99384%0.844SS**  trans-68.879.9167.3-162.90000107R6R6-C8 PolarHBondContact O-N 3.25Å; R6-C8 VanDerWaalsContact O-N 3.11Å
9S46.8Very low46.8Very low94 Ų94144.7 Ų144.766%0.65783%0.83SS**  trans-118.1108.8179.742.70000108.4S7S7-S9 PolarHBondContact O-N 3.32Å; S7-S9 PolarHBondContact O-OG 2.78Å; S7-S9 PolarHBondContact OG-OG 3.11Å
10G46.8Very low47Very low67 Ų67146.4 Ų146.469%0.69183%0.83SS**  trans99.980.7160.300000115.2
11F46.4Very low47.3Very low215 Ų215147 Ų14794%0.94383%0.826SS**  trans-146.341.9157.4-116.4-81.5000112.6
12L47.7Very low47.9Very low176 Ų176141.9 Ų141.992%0.92180%0.797SS**SBendtrans-140.544.9172.9-94.5172.3000112
13A49.7Very low48.6Very low95 Ų95141.8 Ų141.879%0.78580%0.796SS**  trans-141.147.617800000112.9
14Q52Low49.5Very low185 Ų185142.3 Ų142.386%0.86479%0.791SS**  trans-159.666.7166.2-138.1155.7-28.300114.2
15L48.9Very low50Low171 Ų171136.6 Ų136.690%0.89577%0.767SS**  trans-133.822.4167-81.1171.7000113.3
16S49.8Very low51.2Low115 Ų115138.9 Ų138.980%0.80478%0.776SS**  trans-98.120.3-173.352.40000115.9
17S54.6Low52.4Low100 Ų100130.7 Ų130.770%0.69976%0.757SS**SBendtrans-118.64.7-177.473.30000117.6
18L51Low53.4Low161 Ų161132.7 Ų132.784%0.84377%0.765SS**SBendtrans-110.317.7-177.5-67.6179.1000115.8
19T51.8Low54.4Low95 Ų95127.8 Ų127.858%0.58374%0.735SS**  trans-11086.7166.8540000108.6H21T19-H21 VanDerWaalsContact CB-CD2 3.48Å; T19-H21 WeakPolarHBondContact CB-CD2 3.49Å; T19-H21 PolarHBondContact O-N 3.02Å; T19-H21 PolarHBondContact OG1-CD2 3.29Å
20H50.9Low55.9Low179 Ų179125.2 Ų125.283%0.82972%0.72SS**  trans-61.478.6151.8-83.67.1000107.5K22H20-K22 PolarHBondContact O-N 2.83Å
21H52.8Low57.7Low160 Ų160124.2 Ų124.274%0.74171%0.705SS**  trans-61.491.9165.2-81.8-76000106.1T19 A23T19-H21 VanDerWaalsContact CB-CD2 3.48Å; T19-H21 WeakPolarHBondContact CB-CD2 3.49Å; T19-H21 PolarHBondContact O-N 3.02Å; T19-H21 PolarHBondContact OG1-CD2 3.29Å; H21-A23 PolarHBondContact O-N 3.13Å; H21-A23 VanDerWaalsContact O-N 3.11Å
22K55.3Low59.8Low140 Ų140115.1 Ų115.161%0.60967%0.67SS**  trans-55.8120.6164.3-64.4-115.4-179.3-1790104.8H20 F24H20-K22 PolarHBondContact O-N 2.83Å; K22-F24 HydrophobicContact CB-CE2 4.35Å; K22-F24 VanDerWaalsContact O-CD2 3.29Å; K22-F24 WeakPolarHBondContact O-CD2 3.25Å; K22-F24 PolarHBondContact O-N 3.26Å
23A57Low62.1Low101 Ų101106.8 Ų106.884%0.83563%0.626SS**  trans-62.791.2170.300000107.5H21 S25H21-A23 PolarHBondContact O-N 3.13Å; H21-A23 VanDerWaalsContact O-N 3.11Å; A23-S25 PolarHBondContact O-N 3.06Å; A23-S25 VanDerWaalsContact O-N 3.12Å
24F56.9Low64.3Low179 Ų179106.7 Ų106.779%0.78561%0.609SS**  trans-64115171-73.9-79.2000106.2K22 V26K22-F24 HydrophobicContact CB-CE2 4.35Å; K22-F24 VanDerWaalsContact O-CD2 3.29Å; K22-F24 WeakPolarHBondContact O-CD2 3.25Å; K22-F24 PolarHBondContact O-N 3.26Å; F24-V26 PolarHBondContact O-N 3.24Å
25S59.8Low66.4Low54 Ų54104.2 Ų104.238%0.37860%0.596SS.*  trans-73.7100174.6174.90000107.9A23 S27 R38A23-S25 PolarHBondContact O-N 3.06Å; A23-S25 VanDerWaalsContact O-N 3.12Å; S25-S27 PolarHBondContact O-N 3.19Å; S25-S27 PolarHBondContact OG-OG 3.25Å; S25-R38 PolarHBondContact O-NH1 3.13Å; S25-R38 PolarHBondContact OG-NH1 3.25Å; S25-R38 PolarHBondContact OG-NH2 3.27Å
26V64.4Low68.5Low146 Ų146102.1 Ų102.189%0.88558%0.583SS**  trans-71.1-9-178.5-68.30000114.3F24F24-V26 PolarHBondContact O-N 3.24Å
27S64.7Low70.7Confident73 Ų7396.9 Ų96.951%0.5155%0.546SS..SBendtrans-70.6144.7176.958.20000110.9S25 A29 R38S25-S27 PolarHBondContact O-N 3.19Å; S25-S27 PolarHBondContact OG-OG 3.25Å; S27-A29 PolarHBondContact O-N 2.91Å; S27-R38 PolarHBondContact O-NH2 3.41Å; S27-R38 PolarHBondContact OG-NH2 3.33Å
28T68.3Low72.6Confident133 Ų13394.5 Ų94.582%0.81652%0.522SS*.PPolyproline II helixtrans-63.7130.1170.550.10000109.3A30T28-A30 PolarHBondContact O-N 2.96Å
29A67Low74.7Confident45 Ų4587.4 Ų87.437%0.37249%0.485SS..PPolyproline II helixtrans-63.7132.1171.800000109.2S27 A31S27-A29 PolarHBondContact O-N 2.91Å; A29-A31 PolarHBondContact O-N 3.33Å
30A79.3Confident76.8Confident40 Ų4089.2 Ų89.233%0.33148%0.481SS..PPolyproline II helixtrans-54.7136.417700000110.1T28 T37 N104T28-A30 PolarHBondContact O-N 2.96Å; A30-T37 HydrophobicContact CB-CG2 4.19Å; A30-N104 PolarHBondContact O-ND2 2.61Å
31A83.5Confident79Confident45 Ų4581.7 Ų81.737%0.37245%0.448SS..SBendtrans-68.7-40.7-177.600000111.7A29 M92A29-A31 PolarHBondContact O-N 3.33Å; A31-M92 HydrophobicContact CB-CB 4.45Å; A31-M92 WeakPolarHBondContact O-CB 3.31Å; A31-M92 PolarHBondContact O-N 2.91Å
32A91.1Very high81.1Confident25 Ų2574.2 Ų74.221%0.20741%0.413CS..SBendtrans-87.2145.9174.400000110.9Q34 V67 M92A32-Q34 PolarHBondContact O-N 3.42Å; A32-V67 HydrophobicContact CB-CG1 4.06Å; A32-M92 HydrophobicContact CB-SD 4Å
33I95.5Very high83Confident0 Ų067.7 Ų67.70%039%0.385CS..BIsolated β-bridgetrans-88107.9177.4-63.7173.4000108.8V58 G68 V74 I87 H90 N104I33-V58 HydrophobicContact CG2-CG2 3.96Å; I33-G68 PolarHBondContact O-N 3.23Å; I33-V74 HydrophobicContact CG2-CG1 4.4Å; I33-I87 HydrophobicContact CB-CD1 3.94Å; I33-I87 HydrophobicContact CD1-CB 4.33Å; I33-I87 HydrophobicContact CD1-CD1 3.85Å; I33-I87 HydrophobicContact CD1-CG1 3.92Å; I33-I87 HydrophobicContact CD1-CG2 3.48Å; I33-I87 VanDerWaalsContact CD1-CG2 3.48Å; I33-I87 HydrophobicContact CG2-CD1 3.7Å; I33-I87 HydrophobicContact CG2-CG1 4.35Å; I33-H90 HydrophobicContact CD1-CB 3.89Å; I33-H90 HydrophobicContact CG1-CB 4.23Å; I33-N104 HydrophobicContact CD1-CB 4.11Å; I33-N104 HydrophobicContact CG1-CB 4.17Å
34Q96.1Very high84.8Confident93 Ų9366 Ų6644%0.43536%0.362SS..  trans-135.8-177.317763.1-177.716.800110.7A32 M36 T37A32-Q34 PolarHBondContact O-N 3.42Å; Q34-M36 PolarHBondContact O-N 3.34Å; Q34-T37 WeakPolarHBondContact CG-OG1 3.49Å; Q34-T37 PolarHBondContact N-OG1 3.21Å; Q34-T37 WeakPolarHBondContact O-CB 3.33Å; Q34-T37 PolarHBondContact O-N 2.91Å; Q34-T37 VanDerWaalsContact O-N 3.14Å; Q34-T37 PolarHBondContact O-OG1 3.14Å
35K95.9Very high86.6Confident134 Ų13457.5 Ų57.558%0.58333%0.325SS*.THydrogen-bonded Turntrans-51.1143.1174.8-60.8-175.4-179.9172.50111.3T37 I59K35-T37 PolarHBondContact O-N 3.41Å; K35-T37 VanDerWaalsContact O-N 3.14Å; K35-I59 WeakPolarHBondContact CG-O 3.48Å
36M94.2Very high88.2Confident126 Ų12659.5 Ų59.562%0.62134%0.336SS*.THydrogen-bonded Turntrans65.81.9-177.7-62.1-65-76.800116.5Q34 R57 V58Q34-M36 PolarHBondContact O-N 3.34Å; M36-R57 PolarHBondContact O-NH1 2.77Å; M36-V58 PolarHBondContact N-O 3.41Å
37T95.3Very high89.6Confident6 Ų655.4 Ų55.44%0.03731%0.309CS..  trans-68.6133.5177.5-530000110.8A30 Q34 K35 R57 V58A30-T37 HydrophobicContact CB-CG2 4.19Å; Q34-T37 WeakPolarHBondContact CG-OG1 3.49Å; Q34-T37 PolarHBondContact N-OG1 3.21Å; Q34-T37 WeakPolarHBondContact O-CB 3.33Å; Q34-T37 PolarHBondContact O-N 2.91Å; Q34-T37 VanDerWaalsContact O-N 3.14Å; Q34-T37 PolarHBondContact O-OG1 3.14Å; K35-T37 PolarHBondContact O-N 3.41Å; K35-T37 VanDerWaalsContact O-N 3.14Å; T37-R57 WeakPolarHBondContact O-CA 3.37Å; T37-V58 PolarHBondContact O-N 2.57Å
38R94.2Very high90.7Very high49 Ų4953.2 Ų53.219%0.18530%0.298CS..BIsolated β-bridgetrans-77.5134.5171.8-70.5179.1-71.3152.4-5.1109.6S25 S27 P56 R57S25-R38 PolarHBondContact O-NH1 3.13Å; S25-R38 PolarHBondContact OG-NH1 3.25Å; S25-R38 PolarHBondContact OG-NH2 3.27Å; S27-R38 PolarHBondContact O-NH2 3.41Å; S27-R38 PolarHBondContact OG-NH2 3.33Å; R38-P56 WeakPolarHBondContact CA-O 3.45Å; R38-R57 HydrophobicContact CG-CG 4.21Å
39V95.7Very high91.8Very high12 Ų1250.4 Ų50.47%0.07328%0.284CS..  trans-130.8154179.8-61.50000110.9P56 V58 L76 N104 V106V39-P56 HydrophobicContact CG2-CB 4.35Å; V39-P56 PolarHBondContact N-O 2.86Å; V39-V58 HydrophobicContact CG1-CG2 3.88Å; V39-L76 HydrophobicContact CG2-CD1 3.27Å; V39-L76 HydrophobicContact CG2-CD2 4.26Å; V39-L76 HydrophobicContact CG2-CG 4.42Å; V39-N104 HydrophobicContact CG1-CB 4.15Å; V39-V106 HydrophobicContact CB-CG1 3.98Å; V39-V106 HydrophobicContact CB-CG2 4.01Å; V39-V106 HydrophobicContact CG1-CG1 4.1Å; V39-V106 HydrophobicContact CG2-CG1 4.16Å; V39-V106 HydrophobicContact CG2-CG2 3.62Å
40R95.5Very high93Very high134 Ų13452 Ų5251%0.50629%0.289SS..EExtended strand (participates in β ladder)trans-96.2119.8173.6-175.9-176176.6-167.50.6108.4V42 N104 V106R40-V42 HydrophobicContact CG-CG2 4.33Å; R40-V42 VanDerWaalsContact O-CG2 3.26Å; R40-V42 WeakPolarHBondContact O-CG2 3.18Å; R40-N104 PolarHBondContact N-O 3.16Å; R40-V106 PolarHBondContact O-N 3.43Å
41V96.7Very high93.6Very high21 Ų2154.7 Ų54.713%0.12730%0.303CS..EExtended strand (participates in β ladder)trans-77.9129.7169.8-179.20000108.4D43 P56 L76 I78 V106 L108V41-D43 WeakPolarHBondContact CG1-OD1 3.19Å; V41-P56 HydrophobicContact CG2-CB 4.43Å; V41-P56 HydrophobicContact CG2-CG 4.21Å; V41-L76 HydrophobicContact CG2-CD2 3.87Å; V41-I78 HydrophobicContact CG2-CD1 3.89Å; V41-V106 WeakPolarHBondContact CA-O 3.35Å; V41-V106 HydrophobicContact CG2-CG2 4Å; V41-L108 HydrophobicContact CG1-CD1 4.14Å; V41-L108 HydrophobicContact CG1-CD2 4.36Å; V41-L108 HydrophobicContact CG1-CG 3.84Å; V41-L108 HydrophobicContact CG2-CD2 4.25Å
42V96.5Very high94.1Very high2 Ų259.1 Ų59.11%0.01231%0.31CS..  trans-119.39.8-169.3-146.80000114.6R40 N105 V106 K121 V122R40-V42 HydrophobicContact CG-CG2 4.33Å; R40-V42 VanDerWaalsContact O-CG2 3.26Å; R40-V42 WeakPolarHBondContact O-CG2 3.18Å; V42-N105 HydrophobicContact CG2-CB 3.67Å; V42-V106 PolarHBondContact N-O 3.21Å; V42-K121 HydrophobicContact CG1-CB 4.14Å; V42-K121 PolarHBondContact O-N 3.01Å; V42-V122 HydrophobicContact CB-CG2 3.76Å; V42-V122 HydrophobicContact CG1-CB 3.72Å; V42-V122 HydrophobicContact CG1-CG1 3.29Å; V42-V122 HydrophobicContact CG1-CG2 3.25Å; V42-V122 HydrophobicContact CG2-CG2 4.1Å
43D95.1Very high94.1Very high3 Ų364.6 Ų64.62%0.01633%0.331CS..BIsolated β-bridgetrans-85.1171.3168.76035.1000112V41 S45 V107 L108V41-D43 WeakPolarHBondContact CG1-OD1 3.19Å; D43-S45 VanDerWaalsContact C-N 3.31Å; D43-S45 VanDerWaalsContact OD1-CB 3.28Å; D43-S45 WeakPolarHBondContact OD1-CB 3.47Å; D43-S45 PolarHBondContact OD1-N 3.17Å; D43-S45 VanDerWaalsContact OD1-N 3.16Å; D43-S45 PolarHBondContact OD1-OG 2.99Å; D43-V107 HydrophobicContact CB-CG1 4.44Å; D43-L108 VanDerWaalsContact OD2-CB 3.23Å; D43-L108 WeakPolarHBondContact OD2-CB 3.36Å; D43-L108 VanDerWaalsContact OD2-CG 3.31Å; D43-L108 WeakPolarHBondContact OD2-CG 3.46Å; D43-L108 PolarHBondContact OD2-N 3.49Å
44N94.9Very high93.9Very high65 Ų6573.4 Ų73.435%0.34837%0.365SS..  trans-92.617.1171.172.1-33.8000112.8T118 R119N44-T118 PolarHBondContact OD1-N 2.98Å; N44-R119 PolarHBondContact N-O 3.41Å; N44-R119 VanDerWaalsContact N-O 3.1Å; N44-R119 PolarHBondContact OD1-N 2.64Å; N44-R119 PolarHBondContact OD1-O 3.06Å
45S94.7Very high93.7Very high2 Ų272 Ų721%0.01437%0.365CS..  trans-63.4148.5-179.6720000110.6D43 L47 G48 S49D43-S45 VanDerWaalsContact C-N 3.31Å; D43-S45 VanDerWaalsContact OD1-CB 3.28Å; D43-S45 WeakPolarHBondContact OD1-CB 3.47Å; D43-S45 PolarHBondContact OD1-N 3.17Å; D43-S45 VanDerWaalsContact OD1-N 3.16Å; D43-S45 PolarHBondContact OD1-OG 2.99Å; S45-L47 PolarHBondContact O-N 3.34Å; S45-G48 PolarHBondContact O-N 2.9Å; S45-G48 PolarHBondContact OG-N 2.96Å; S45-G48 VanDerWaalsContact OG-N 3.1Å; S45-S49 WeakPolarHBondContact O-CB 3.49Å; S45-S49 PolarHBondContact O-N 2.98Å
46P93.1Very high93.7Very high95 Ų9567 Ų6762%0.61735%0.346SS*.Hα-helixtrans-61.3-31175.725-33.7000111.1T50 K79P46-T50 PolarHBondContact O-N 3.46Å; P46-T50 PolarHBondContact O-OG1 2.9Å; P46-K79 PolarHBondContact O-NZ 3.31Å
47L93.7Very high93.8Very high61 Ų6165.5 Ų65.532%0.31933%0.334SS..Hα-helixtrans-62.1-45.1176.3-66.3178.6000112.3S45 I78 K79 L108S45-L47 PolarHBondContact O-N 3.34Å; L47-I78 WeakPolarHBondContact O-CD1 3.39Å; L47-K79 HydrophobicContact CD2-CD 4.33Å; L47-K79 WeakPolarHBondContact O-CE 3.45Å; L47-K79 PolarHBondContact O-NZ 3.41Å; L47-L108 HydrophobicContact CB-CD1 3.8Å; L47-L108 HydrophobicContact CD1-CD1 4.32Å
48G89.7Confident93.9Very high27 Ų2765.2 Ų65.228%0.27833%0.332SS..Hα-helixtrans-76.5-31.2178.600000114.4S45S45-G48 PolarHBondContact O-N 2.9Å; S45-G48 PolarHBondContact OG-N 2.96Å; S45-G48 VanDerWaalsContact OG-N 3.1Å
49S90.5Very high94Very high73 Ų7367 Ų6751%0.5135%0.345SS..Hα-helixtrans-86.6-31.4-171.4-162.70000114.8S45S45-S49 WeakPolarHBondContact O-CB 3.49Å; S45-S49 PolarHBondContact O-N 2.98Å
50T91.5Very high94.1Very high78 Ų7870.1 Ų70.148%0.47936%0.358SS..SBendtrans-75.4134.4-179-34.50000110.5P46 K79P46-T50 PolarHBondContact O-N 3.46Å; P46-T50 PolarHBondContact O-OG1 2.9Å; T50-K79 VanDerWaalsContact CB-CE 3.44Å; T50-K79 WeakPolarHBondContact O-CE 3.21Å; T50-K79 PolarHBondContact OG1-NZ 3.01Å
51P91.9Very high94.2Very high97 Ų9764 Ų6463%0.6334%0.336SS*.  trans-57.9145.5173.9-23.933.9000112.7
52W93.8Very high94.2Very high138 Ų13868 Ų6852%0.52335%0.349SS..  trans-140.6153.2173-167.3-114000110.4R54 K79W52-R54 PolarHBondContact O-N 2.99Å; W52-K79 HydrophobicContact CB-CG 4.12Å; W52-K79 HydrophobicContact CD2-CB 4.42Å; W52-K79 HydrophobicContact CD2-CG 4.27Å; W52-K79 HydrophobicContact CE3-CG 4.49Å; W52-K79 HydrophobicContact CG-CG 4.11Å
53H91.8Very high94.2Very high140 Ų14069.6 Ų69.665%0.64836%0.359SS*.SBendtrans-66.8-19.9-176.970.791.7000113.4
54R90.6Very high94.3Very high185 Ų18579.8 Ų79.870%0.69840%0.403SS*.SBendtrans-119.8134174.9-78.4171.2-173-175.24.1110.6W52W52-R54 PolarHBondContact O-N 2.99Å
55S92.2Very high94.2Very high64 Ų6483.8 Ų83.845%0.44843%0.425SS..  trans-65.4150.5173.1-49.40000111.6R57S55-R57 PolarHBondContact O-N 3.2Å
56P96Very high94.2Very high29 Ų2985.2 Ų85.219%0.18844%0.44CS..  trans-61.6135.9175.4-19.131.3000111.8R38 V39 V41 L76 A77 I78R38-P56 WeakPolarHBondContact CA-O 3.45Å; V39-P56 HydrophobicContact CG2-CB 4.35Å; V39-P56 PolarHBondContact N-O 2.86Å; V41-P56 HydrophobicContact CG2-CB 4.43Å; V41-P56 HydrophobicContact CG2-CG 4.21Å; P56-L76 HydrophobicContact CB-CD1 4.11Å; P56-L76 HydrophobicContact CB-CD2 3.82Å; P56-L76 HydrophobicContact CB-CG 4.08Å; P56-A77 VanDerWaalsContact CA-O 3.31Å; P56-A77 WeakPolarHBondContact CA-O 3.25Å; P56-I78 HydrophobicContact CB-CB 4.46Å; P56-I78 HydrophobicContact CB-CD1 4.37Å; P56-I78 HydrophobicContact CB-CG1 4.44Å; P56-I78 HydrophobicContact CG-CD1 3.95Å; P56-I78 HydrophobicContact CG-CG1 4.16Å
57R96.1Very high94.3Very high95 Ų9583.3 Ų83.336%0.35843%0.426SS..EExtended strand (participates in β ladder)trans-131.5143-178.9-70.5-178.4-176.4-11110.3112M36 T37 R38 S55 L76 A77M36-R57 PolarHBondContact O-NH1 2.77Å; T37-R57 WeakPolarHBondContact O-CA 3.37Å; R38-R57 HydrophobicContact CG-CG 4.21Å; S55-R57 PolarHBondContact O-N 3.2Å; R57-L76 VanDerWaalsContact C-CD1 3.47Å; R57-L76 WeakPolarHBondContact O-CD1 3.48Å; R57-A77 PolarHBondContact N-O 3Å; R57-A77 PolarHBondContact O-N 3.45Å
58V97.6Very high94.4Very high0 Ų080.5 Ų80.50%041%0.412CS..EExtended strand (participates in β ladder)trans-74.2128.2175.1177.50000110I33 M36 T37 V39 V61 V74 L76I33-V58 HydrophobicContact CG2-CG2 3.96Å; M36-V58 PolarHBondContact N-O 3.41Å; T37-V58 PolarHBondContact O-N 2.57Å; V39-V58 HydrophobicContact CG1-CG2 3.88Å; V58-V61 HydrophobicContact CG1-CG2 3.88Å; V58-V74 HydrophobicContact CG1-CB 4.11Å; V58-V74 HydrophobicContact CG1-CG1 4.31Å; V58-V74 HydrophobicContact CG2-CG2 4.42Å; V58-L76 HydrophobicContact CG2-CD1 4.13Å
59I97.3Very high94.7Very high87 Ų8784.9 Ų84.945%0.44642%0.423SS..EExtended strand (participates in β ladder)trans-98-40.8176.2-61.9164.6000110.4K35 L75 A77K35-I59 WeakPolarHBondContact CG-O 3.48Å; I59-L75 PolarHBondContact N-O 2.88Å; I59-A77 HydrophobicContact CD1-CB 3.4Å; I59-A77 VanDerWaalsContact CD1-CB 3.4Å; I59-A77 HydrophobicContact CG1-CB 3.86Å
60H97.6Very high94.9Very high77 Ų7782.7 Ų82.736%0.35641%0.407SS..EExtended strand (participates in β ladder)trans-142.7142.3-176.4-176.472000110.5Y62 V74 L75H60-Y62 AromaticContact CD2-CD1 3.7Å; H60-Y62 AromaticContact CD2-CE1 3.68Å; H60-Y62 AromaticContact CD2-CZ 3.98Å; H60-Y62 AromaticContact NE2-CD1 3.71Å; H60-Y62 AromaticContact NE2-CE1 3.98Å; H60-V74 CarbonylContact O-C 3.56Å; H60-V74 WeakPolarHBondContact O-CA 3.41Å; H60-L75 HydrophobicContact CB-CB 3.92Å; H60-L75 HydrophobicContact CB-CD2 4.44Å; H60-L75 PolarHBondContact N-O 2.88Å; H60-L75 PolarHBondContact O-N 2.82Å
61V98Very high95.1Very high5 Ų579.3 Ų79.33%0.0339%0.387CS..EExtended strand (participates in β ladder)trans-113.4127.9172.8-175.50000106.4V58 T63 V74V58-V61 HydrophobicContact CG1-CG2 3.88Å; V61-T63 HydrophobicContact CG1-CG2 3.99Å; V61-T63 VanDerWaalsContact CG1-OG1 3.24Å; V61-T63 WeakPolarHBondContact CG1-OG1 3.24Å; V61-T63 PolarHBondContact O-N 3.21Å; V61-V74 HydrophobicContact CB-CG1 4.37Å; V61-V74 HydrophobicContact CG1-CG1 4.11Å; V61-V74 HydrophobicContact CG2-CG1 4.1Å
62Y96.5Very high95.2Very high105 Ų10576.8 Ų76.841%0.41237%0.369SS..SBendtrans-80.647-179.1-66.8-80.5000111.4H60 R73 L75 K84H60-Y62 AromaticContact CD2-CD1 3.7Å; H60-Y62 AromaticContact CD2-CE1 3.68Å; H60-Y62 AromaticContact CD2-CZ 3.98Å; H60-Y62 AromaticContact NE2-CD1 3.71Å; H60-Y62 AromaticContact NE2-CE1 3.98Å; Y62-R73 HydrophobicContact CD2-CB 3.66Å; Y62-R73 WeakPolarHBondContact CD2-O 3.49Å; Y62-R73 HydrophobicContact CE2-CB 4.45Å; Y62-R73 HydrophobicContact CG-CB 4.28Å; Y62-R73 PolarHBondContact N-O 2.8Å; Y62-R73 VanDerWaalsContact N-O 3.1Å; Y62-L75 HydrophobicContact CE2-CB 4.31Å; Y62-K84 HydrophobicContact CE2-CG 4.46Å; Y62-K84 WeakPolarHBondContact OH-CE 3.42Å
63T96.4Very high95.3Very high36 Ų3674.9 Ų74.922%0.22136%0.361CS..SBendtrans-129.6145.4176.362.10000109.6V61 N65 G66 V67 D72V61-T63 HydrophobicContact CG1-CG2 3.99Å; V61-T63 VanDerWaalsContact CG1-OG1 3.24Å; V61-T63 WeakPolarHBondContact CG1-OG1 3.24Å; V61-T63 PolarHBondContact O-N 3.21Å; T63-N65 VanDerWaalsContact C-N 3.26Å; T63-N65 PolarHBondContact O-N 3.36Å; T63-G66 PolarHBondContact O-N 2.93Å; T63-G66 PolarHBondContact OG1-N 2.71Å; T63-V67 PolarHBondContact OG1-N 3.48Å; T63-V67 PolarHBondContact OG1-O 3.1Å; T63-D72 HydrophobicContact CG2-CB 4.14Å; T63-D72 WeakPolarHBondContact CG2-OD2 3.26Å
64K95.9Very high95.6Very high217 Ų21768.2 Ų68.294%0.94333%0.33SS*.THydrogen-bonded Turntrans-63.3-33.8178.8-65.2-176.7-179.6179.60112.2G66K64-G66 VanDerWaalsContact C-N 3.29Å; K64-G66 PolarHBondContact O-N 2.7Å
65N93.3Very high96Very high149 Ų14961 Ų6180%0.79731%0.305SS*.THydrogen-bonded Turntrans-77.9-11.7-177.7-58.9-17000113.2T63 V67T63-N65 VanDerWaalsContact C-N 3.26Å; T63-N65 PolarHBondContact O-N 3.36Å; N65-V67 PolarHBondContact O-N 3.01Å
66G94.4Very high96.3Very high32 Ų3257.9 Ų57.933%0.3328%0.284SS..SBendtrans72.84.1-177.600000115.4T63 K64T63-G66 PolarHBondContact O-N 2.93Å; T63-G66 PolarHBondContact OG1-N 2.71Å; K64-G66 VanDerWaalsContact C-N 3.29Å; K64-G66 PolarHBondContact O-N 2.7Å
67V95.6Very high96.3Very high54 Ų5458.2 Ų58.233%0.32729%0.289SS..  trans-113.3127.9176.4-177.70000108.4A32 T63 N65A32-V67 HydrophobicContact CB-CG1 4.06Å; T63-V67 PolarHBondContact OG1-N 3.48Å; T63-V67 PolarHBondContact OG1-O 3.1Å; N65-V67 PolarHBondContact O-N 3.01Å
68G96.1Very high96.3Very high3 Ų354.3 Ų54.33%0.03128%0.275CS..BIsolated β-bridgetrans-97.1130.918000000112.1I33I33-G68 PolarHBondContact O-N 3.23Å
69K95.6Very high96.2Very high118 Ų11857 Ų5751%0.51329%0.287SS..  trans-104.7174.9172-64.2-176.7177.1-176.30110.2G71 D72 I87K69-G71 PolarHBondContact O-N 3.28Å; K69-D72 PolarHBondContact N-OD2 3.22Å; K69-D72 WeakPolarHBondContact O-CB 3.19Å; K69-D72 PolarHBondContact O-N 3.45Å; K69-I87 VanDerWaalsContact O-CB 3.31Å; K69-I87 WeakPolarHBondContact O-CB 3.26Å; K69-I87 WeakPolarHBondContact O-CD1 3.38Å; K69-I87 WeakPolarHBondContact O-CG2 3.08Å
70V95.3Very high95.9Very high28 Ų2856.7 Ų56.717%0.1731%0.306CS..THydrogen-bonded Turntrans-59.8134.6172.2-178.80000110.2I87 V88 H90 P125 H127 L128V70-I87 HydrophobicContact CG2-CG2 4.5Å; V70-V88 WeakPolarHBondContact CG1-O 3.34Å; V70-H90 VanDerWaalsContact CG2-CD2 3.49Å; V70-H90 WeakPolarHBondContact CG2-CD2 3.29Å; V70-P125 HydrophobicContact CG1-CG 3.7Å; V70-H127 WeakPolarHBondContact CG1-NE2 3.5Å; V70-L128 HydrophobicContact CG1-CD1 3.98Å; V70-L128 HydrophobicContact CG1-CD2 3.68Å; V70-L128 HydrophobicContact CG1-CG 3.83Å
71G94.4Very high95.8Very high6 Ų654.8 Ų54.86%0.06231%0.307CS..THydrogen-bonded Turntrans92.4-12.7-176.100000114.4K69 L86 I87K69-G71 PolarHBondContact O-N 3.28Å; G71-L86 VanDerWaalsContact O-CD1 3.25Å; G71-L86 WeakPolarHBondContact O-CD1 3.44Å; G71-I87 PolarHBondContact N-O 2.86Å
72D95.6Very high95.8Very high45 Ų4562.6 Ų62.624%0.24134%0.34CS..  trans-80.6148178-67-30.9000112.3T63 K69 I87T63-D72 HydrophobicContact CG2-CB 4.14Å; T63-D72 WeakPolarHBondContact CG2-OD2 3.26Å; K69-D72 PolarHBondContact N-OD2 3.22Å; K69-D72 WeakPolarHBondContact O-CB 3.19Å; K69-D72 PolarHBondContact O-N 3.45Å; D72-I87 HydrophobicContact CB-CD1 4.29Å; D72-I87 PolarHBondContact O-N 2.87Å
73R96.3Very high95.8Very high97 Ų9760.2 Ų60.237%0.36633%0.332SS..EExtended strand (participates in β ladder)trans-82.2142.2172.9-59.2176.3-165.8-170.7-3.3110Y62 A85 I109 D134 Y135Y62-R73 HydrophobicContact CD2-CB 3.66Å; Y62-R73 WeakPolarHBondContact CD2-O 3.49Å; Y62-R73 HydrophobicContact CE2-CB 4.45Å; Y62-R73 HydrophobicContact CG-CB 4.28Å; Y62-R73 PolarHBondContact N-O 2.8Å; Y62-R73 VanDerWaalsContact N-O 3.1Å; R73-A85 WeakPolarHBondContact CA-O 3.15Å; R73-I109 HydrophobicContact CG-CD1 4.31Å; R73-D134 IonicContact NH2-OD2 3.86Å; R73-Y135 WeakPolarHBondContact CD-OH 3.38Å; R73-Y135 WeakPolarHBondContact CG-OH 3.19Å; R73-Y135 PolarHBondContact NE-OH 2.74Å
74V97.8Very high95.9Very high0 Ų061 Ų610%033%0.332CS..EExtended strand (participates in β ladder)trans-135.5152.4172.5-63.70000111.5I33 V58 H60 V61 K84 A85 I87I33-V74 HydrophobicContact CG2-CG1 4.4Å; V58-V74 HydrophobicContact CG1-CB 4.11Å; V58-V74 HydrophobicContact CG1-CG1 4.31Å; V58-V74 HydrophobicContact CG2-CG2 4.42Å; H60-V74 CarbonylContact O-C 3.56Å; H60-V74 WeakPolarHBondContact O-CA 3.41Å; V61-V74 HydrophobicContact CB-CG1 4.37Å; V61-V74 HydrophobicContact CG1-CG1 4.11Å; V61-V74 HydrophobicContact CG2-CG1 4.1Å; V74-K84 CarbonylContact O-C 3.54Å; V74-K84 WeakPolarHBondContact O-CA 3.49Å; V74-A85 HydrophobicContact CG2-CB 3.96Å; V74-A85 PolarHBondContact N-O 3.23Å; V74-A85 PolarHBondContact O-N 3.48Å; V74-I87 HydrophobicContact CG1-CD1 3.61Å; V74-I87 HydrophobicContact CG1-CG1 3.89Å; V74-I87 HydrophobicContact CG2-CG1 4.23Å
75L98.1Very high96Very high33 Ų3350.6 Ų50.617%0.17329%0.287CS..EExtended strand (participates in β ladder)trans-96.2124169.7-17166.2000109.3I59 H60 Y62 K82 K84I59-L75 PolarHBondContact N-O 2.88Å; H60-L75 HydrophobicContact CB-CB 3.92Å; H60-L75 HydrophobicContact CB-CD2 4.44Å; H60-L75 PolarHBondContact N-O 2.88Å; H60-L75 PolarHBondContact O-N 2.82Å; Y62-L75 HydrophobicContact CE2-CB 4.31Å; L75-K82 HydrophobicContact CD1-CB 4.28Å; L75-K84 HydrophobicContact CD1-CG 4.16Å
76L97.9Very high96.2Very high0 Ų043.6 Ų43.60%025%0.249CC..EExtended strand (participates in β ladder)trans-110.6135.6-175.3-16571.9000111.1V39 V41 P56 R57 V58 I78 K82 K83 A85 V106 L108V39-L76 HydrophobicContact CG2-CD1 3.27Å; V39-L76 HydrophobicContact CG2-CD2 4.26Å; V39-L76 HydrophobicContact CG2-CG 4.42Å; V41-L76 HydrophobicContact CG2-CD2 3.87Å; P56-L76 HydrophobicContact CB-CD1 4.11Å; P56-L76 HydrophobicContact CB-CD2 3.82Å; P56-L76 HydrophobicContact CB-CG 4.08Å; R57-L76 VanDerWaalsContact C-CD1 3.47Å; R57-L76 WeakPolarHBondContact O-CD1 3.48Å; V58-L76 HydrophobicContact CG2-CD1 4.13Å; L76-I78 HydrophobicContact CD2-CB 4.36Å; L76-K82 WeakPolarHBondContact O-CA 3.43Å; L76-K83 WeakPolarHBondContact CA-O 3.4Å; L76-K83 WeakPolarHBondContact CB-O 3.3Å; L76-K83 PolarHBondContact N-O 2.82Å; L76-K83 PolarHBondContact O-N 2.99Å; L76-A85 HydrophobicContact CB-CB 4.48Å; L76-V106 HydrophobicContact CD2-CG2 4.36Å; L76-L108 HydrophobicContact CD2-CD2 3.75Å
77A97.5Very high96.3Very high35 Ų3542 Ų4229%0.28923%0.234SC..EExtended strand (participates in β ladder)trans-87116.7162.400000109.1P56 R57 I59 G81P56-A77 VanDerWaalsContact CA-O 3.31Å; P56-A77 WeakPolarHBondContact CA-O 3.25Å; R57-A77 PolarHBondContact N-O 3Å; R57-A77 PolarHBondContact O-N 3.45Å; I59-A77 HydrophobicContact CD1-CB 3.4Å; I59-A77 VanDerWaalsContact CD1-CB 3.4Å; I59-A77 HydrophobicContact CG1-CB 3.86Å; A77-G81 WeakPolarHBondContact CA-O 3.48Å
78I96.2Very high96.3Very high13 Ų1339.5 Ų39.57%0.06722%0.218CC..EExtended strand (participates in β ladder)trans-138.9129.5177.2-171.3162.1000110V41 L47 P56 L76 G80 G81 K83 L108V41-I78 HydrophobicContact CG2-CD1 3.89Å; L47-I78 WeakPolarHBondContact O-CD1 3.39Å; P56-I78 HydrophobicContact CB-CB 4.46Å; P56-I78 HydrophobicContact CB-CD1 4.37Å; P56-I78 HydrophobicContact CB-CG1 4.44Å; P56-I78 HydrophobicContact CG-CD1 3.95Å; P56-I78 HydrophobicContact CG-CG1 4.16Å; L76-I78 HydrophobicContact CD2-CB 4.36Å; I78-G80 PolarHBondContact O-N 3.42Å; I78-G81 PolarHBondContact N-O 2.82Å; I78-G81 WeakPolarHBondContact O-CA 3.43Å; I78-G81 PolarHBondContact O-N 3.03Å; I78-K83 HydrophobicContact CG2-CB 4.28Å; I78-L108 HydrophobicContact CD1-CD1 4.45Å
79K93.9Very high96.3Very high56 Ų5639.3 Ų39.324%0.24322%0.217CC..THydrogen-bonded Turntrans49.739.4-179.9-64.9174.2169.1-178.80114.8P46 L47 T50 W52 G81P46-K79 PolarHBondContact O-NZ 3.31Å; L47-K79 HydrophobicContact CD2-CD 4.33Å; L47-K79 WeakPolarHBondContact O-CE 3.45Å; L47-K79 PolarHBondContact O-NZ 3.41Å; T50-K79 VanDerWaalsContact CB-CE 3.44Å; T50-K79 WeakPolarHBondContact O-CE 3.21Å; T50-K79 PolarHBondContact OG1-NZ 3.01Å; W52-K79 HydrophobicContact CB-CG 4.12Å; W52-K79 HydrophobicContact CD2-CB 4.42Å; W52-K79 HydrophobicContact CD2-CG 4.27Å; W52-K79 HydrophobicContact CE3-CG 4.49Å; W52-K79 HydrophobicContact CG-CG 4.11Å; K79-G81 PolarHBondContact O-N 2.78Å
80G92.3Very high96.3Very high82 Ų8234.7 Ų34.785%0.84520%0.197SC*.THydrogen-bonded Turntrans75.3-3.3-177.700000114.9I78I78-G80 PolarHBondContact O-N 3.42Å
81G95.6Very high96.3Very high37 Ų3737.4 Ų37.438%0.38121%0.206SC..EExtended strand (participates in β ladder)trans-102.6166.3172.800000113.1A77 I78 K79A77-G81 WeakPolarHBondContact CA-O 3.48Å; I78-G81 PolarHBondContact N-O 2.82Å; I78-G81 WeakPolarHBondContact O-CA 3.43Å; I78-G81 PolarHBondContact O-N 3.03Å; K79-G81 PolarHBondContact O-N 2.78Å
82K96.8Very high96.2Very high169 Ų16940.5 Ų40.574%0.73522%0.22SC*.EExtended strand (participates in β ladder)trans-104.2131.9170.165.8-175.5179.9-1780109.7L75 L76L75-K82 HydrophobicContact CD1-CB 4.28Å; L76-K82 WeakPolarHBondContact O-CA 3.43Å
83K97.4Very high96.1Very high55 Ų5542.3 Ų42.324%0.23923%0.234CC..EExtended strand (participates in β ladder)trans-140.7144174.4-163.371.2177.6-1770109.5L76 I78 L108 T116L76-K83 WeakPolarHBondContact CA-O 3.4Å; L76-K83 WeakPolarHBondContact CB-O 3.3Å; L76-K83 PolarHBondContact N-O 2.82Å; L76-K83 PolarHBondContact O-N 2.99Å; I78-K83 HydrophobicContact CG2-CB 4.28Å; K83-L108 HydrophobicContact CG-CB 4.46Å; K83-L108 HydrophobicContact CG-CD2 4.5Å; K83-T116 VanDerWaalsContact CE-OG1 3.3Å; K83-T116 WeakPolarHBondContact CE-OG1 3.31Å
84K97.8Very high95.8Very high51 Ų5140.1 Ų40.122%0.22224%0.242CC..EExtended strand (participates in β ladder)trans-73.9151.6172.2-71179.2179.5159.10109.6Y62 V74 L75 I109 D111Y62-K84 HydrophobicContact CE2-CG 4.46Å; Y62-K84 WeakPolarHBondContact OH-CE 3.42Å; V74-K84 CarbonylContact O-C 3.54Å; V74-K84 WeakPolarHBondContact O-CA 3.49Å; L75-K84 HydrophobicContact CD1-CG 4.16Å; K84-I109 HydrophobicContact CB-CD1 4.32Å; K84-I109 HydrophobicContact CB-CG1 3.74Å; K84-I109 PolarHBondContact O-N 2.95Å; K84-D111 WeakPolarHBondContact CD-OD1 3.45Å; K84-D111 WeakPolarHBondContact CE-OD1 3.18Å; K84-D111 IonicContact NZ-OD1 2.66Å; K84-D111 PolarHBondContact NZ-OD1 2.79Å
85A97.8Very high95.4Very high0 Ų046.7 Ų46.70%027%0.273CS..EExtended strand (participates in β ladder)trans-144.1153.3176.300000110.3R73 V74 L76 V106 V107 L108R73-A85 WeakPolarHBondContact CA-O 3.15Å; V74-A85 HydrophobicContact CG2-CB 3.96Å; V74-A85 PolarHBondContact N-O 3.23Å; V74-A85 PolarHBondContact O-N 3.48Å; L76-A85 HydrophobicContact CB-CB 4.48Å; A85-V106 HydrophobicContact CB-CB 4.16Å; A85-V106 HydrophobicContact CB-CG2 4.41Å; A85-V107 CarbonylContact C-O 3.52Å; A85-V107 WeakPolarHBondContact CA-O 3.39Å; A85-V107 WeakPolarHBondContact CB-O 3.44Å; A85-L108 HydrophobicContact CB-CD2 4.08Å
86L97.1Very high95.1Very high1 Ų156.7 Ų56.71%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-99.9134.6171.1-17268.6000109G71 V88 V106 V107 I109 Y135 L138G71-L86 VanDerWaalsContact O-CD1 3.25Å; G71-L86 WeakPolarHBondContact O-CD1 3.44Å; L86-V88 PolarHBondContact O-N 3.38Å; L86-V106 VanDerWaalsContact O-CA 3.29Å; L86-V106 WeakPolarHBondContact O-CA 3.24Å; L86-V107 PolarHBondContact N-O 3.14Å; L86-V107 PolarHBondContact O-N 3.14Å; L86-I109 HydrophobicContact CB-CG2 4.13Å; L86-Y135 HydrophobicContact CD1-CE1 4.08Å; L86-Y135 HydrophobicContact CD1-CE2 3.87Å; L86-Y135 HydrophobicContact CD2-CD1 4.15Å; L86-Y135 HydrophobicContact CD2-CD2 4.3Å; L86-Y135 HydrophobicContact CD2-CE1 4.24Å; L86-Y135 HydrophobicContact CD2-CE2 4.39Å; L86-Y135 HydrophobicContact CD2-CG 4.17Å; L86-L138 HydrophobicContact CB-CD1 4.35Å; L86-L138 HydrophobicContact CD2-CD1 3.68Å; L86-L138 HydrophobicContact CD2-CD2 4.4Å
87I97Very high94.9Very high0 Ų066 Ų660%035%0.354CS..EExtended strand (participates in β ladder)trans-76.4122.2171.1-61.1172000108.9I33 K69 V70 G71 D72 V74 V106I33-I87 HydrophobicContact CB-CD1 3.94Å; I33-I87 HydrophobicContact CD1-CB 4.33Å; I33-I87 HydrophobicContact CD1-CD1 3.85Å; I33-I87 HydrophobicContact CD1-CG1 3.92Å; I33-I87 HydrophobicContact CD1-CG2 3.48Å; I33-I87 VanDerWaalsContact CD1-CG2 3.48Å; I33-I87 HydrophobicContact CG2-CD1 3.7Å; I33-I87 HydrophobicContact CG2-CG1 4.35Å; K69-I87 VanDerWaalsContact O-CB 3.31Å; K69-I87 WeakPolarHBondContact O-CB 3.26Å; K69-I87 WeakPolarHBondContact O-CD1 3.38Å; K69-I87 WeakPolarHBondContact O-CG2 3.08Å; V70-I87 HydrophobicContact CG2-CG2 4.5Å; G71-I87 PolarHBondContact N-O 2.86Å; D72-I87 HydrophobicContact CB-CD1 4.29Å; D72-I87 PolarHBondContact O-N 2.87Å; V74-I87 HydrophobicContact CG1-CD1 3.61Å; V74-I87 HydrophobicContact CG1-CG1 3.89Å; V74-I87 HydrophobicContact CG2-CG1 4.23Å; I87-V106 HydrophobicContact CG1-CG1 4.41Å
88V96.3Very high94.6Very high0 Ų067.1 Ų67.10%036%0.355CS..EExtended strand (participates in β ladder)trans-105.5-30.3179.6165.60000111.9V70 L86 N105 V107 L124 P125V70-V88 WeakPolarHBondContact CG1-O 3.34Å; L86-V88 PolarHBondContact O-N 3.38Å; V88-N105 PolarHBondContact N-O 3.08Å; V88-V107 HydrophobicContact CG2-CB 4.17Å; V88-V107 HydrophobicContact CG2-CG2 3.64Å; V88-L124 HydrophobicContact CB-CD2 4.28Å; V88-L124 HydrophobicContact CG1-CD2 3.18Å; V88-L124 HydrophobicContact CG1-CG 4.38Å; V88-L124 HydrophobicContact CG2-CD2 4.11Å; V88-P125 WeakPolarHBondContact O-CD 3.33Å; V88-P125 VanDerWaalsContact O-CG 3.24Å; V88-P125 WeakPolarHBondContact O-CG 3.38Å
89G95.8Very high94.6Very high0 Ų068.1 Ų68.10%036%0.362CS..EExtended strand (participates in β ladder)trans-159148.1-179.900000110.9N104 N105G89-N104 CarbonylContact O-C 3.58Å; G89-N105 PolarHBondContact N-O 3.43Å; G89-N105 PolarHBondContact O-N 2.96Å
90H95.4Very high94.6Very high20 Ų2072.9 Ų72.99%0.09338%0.379CS..  trans-139.4160.6177.259.562.5000111.4I33 V70 M92 F101 N104I33-H90 HydrophobicContact CD1-CB 3.89Å; I33-H90 HydrophobicContact CG1-CB 4.23Å; V70-H90 VanDerWaalsContact CG2-CD2 3.49Å; V70-H90 WeakPolarHBondContact CG2-CD2 3.29Å; H90-M92 PolarHBondContact CE1-O 3.44Å; H90-M92 PolarHBondContact ND1-O 3.1Å; H90-F101 PolarHBondContact O-N 2.93Å; H90-N104 WeakPolarHBondContact CA-OD1 3.48Å
91K94.4Very high94.7Very high85 Ų8570.2 Ų70.237%0.3734%0.344SS..SBendtrans-81.8-22.5-179.2-170.6176.9-174.6172.70114.1R100 F101 D102 N104K91-R100 PolarHBondContact O-NE 3.4Å; K91-R100 PolarHBondContact O-NH2 2.95Å; K91-F101 VanDerWaalsContact CA-O 3.26Å; K91-F101 WeakPolarHBondContact CA-O 3.18Å; K91-D102 WeakPolarHBondContact CD-O 3.49Å; K91-N104 PolarHBondContact N-OD1 3.27Å
92M93.7Very high94.6Very high71 Ų7175.6 Ų75.635%0.3536%0.364SS..SBendtrans-57.2136.2174.6177.8177.5175.500110.5A31 A32 H90 G94A31-M92 HydrophobicContact CB-CB 4.45Å; A31-M92 WeakPolarHBondContact O-CB 3.31Å; A31-M92 PolarHBondContact O-N 2.91Å; A32-M92 HydrophobicContact CB-SD 4Å; H90-M92 PolarHBondContact CE1-O 3.44Å; H90-M92 PolarHBondContact ND1-O 3.1Å; M92-G94 PolarHBondContact O-N 3.42Å
93P92.5Very high94.5Very high83 Ų8369.4 Ų69.454%0.53934%0.342SS..  trans-62.3126.1170.826.9-33.6000109.6
94G89.9Confident94.4Very high51 Ų5167.2 Ų67.253%0.52633%0.333SS..  trans-93.3-163.1178.400000112.7M92M92-G94 PolarHBondContact O-N 3.42Å
95E90.6Very high94.3Very high139 Ų13964.9 Ų64.965%0.6532%0.323SS*.SBendtrans-63.6160.8171.4-63.6169-176.800111.7N98E95-N98 WeakPolarHBondContact O-CB 3.37Å; E95-N98 PolarHBondContact O-N 3.39Å
96R92.4Very high94.3Very high242 Ų24264.9 Ų64.991%0.91332%0.323SS*.THydrogen-bonded Turntrans-57.8145.4175.9-65.1-177.9-178.8-173.70.3109.9N98R96-N98 PolarHBondContact O-N 3.42Å
97M92.3Very high94.3Very high195 Ų19564.9 Ų64.996%0.96132%0.323SS*.THydrogen-bonded Turntrans67.26.7-178.1-51.5-66.5-81.100115.6
98N91.8Very high94.3Very high59 Ų5964.9 Ų64.932%0.31632%0.323SS..  trans-96.4140.6170-73.7-29.4000111.3E95 R96 H127E95-N98 WeakPolarHBondContact O-CB 3.37Å; E95-N98 PolarHBondContact O-N 3.39Å; R96-N98 PolarHBondContact O-N 3.42Å; N98-H127 PolarHBondContact OD1-ND1 2.99Å
99P95.1Very high94.4Very high34 Ų3465 Ų6522%0.22132%0.323CS..  trans-69.9142.2178.429.6-35.1000110.9F101 P125 V146P99-F101 HydrophobicContact CB-CE2 4.37Å; P99-F101 HydrophobicContact CG-CE2 4.16Å; P99-F101 HydrophobicContact CG-CZ 4.4Å; P99-P125 HydrophobicContact CG-CB 3.66Å; P99-V146 HydrophobicContact CB-CG1 3.98Å; P99-V146 HydrophobicContact CG-CG1 4.49Å
100R94.7Very high94.3Very high156 Ų15668.5 Ų68.559%0.58934%0.34SS*.  trans-105.7132.2172.3-177.7-179178.8-169.8-3.5109K91K91-R100 PolarHBondContact O-NE 3.4Å; K91-R100 PolarHBondContact O-NH2 2.95Å
101F94.6Very high94.2Very high27 Ų2772.9 Ų72.912%0.11836%0.364CS..  trans-104.3152.2178.4-64.9-86.4000111H90 K91 P99 S103 P123 P125H90-F101 PolarHBondContact O-N 2.93Å; K91-F101 VanDerWaalsContact CA-O 3.26Å; K91-F101 WeakPolarHBondContact CA-O 3.18Å; P99-F101 HydrophobicContact CB-CE2 4.37Å; P99-F101 HydrophobicContact CG-CE2 4.16Å; P99-F101 HydrophobicContact CG-CZ 4.4Å; F101-S103 VanDerWaalsContact C-N 3.33Å; F101-P123 HydrophobicContact CE1-CG 4.35Å; F101-P125 HydrophobicContact CE2-CG 4.37Å
102D93.4Very high94Very high150 Ų15075.2 Ų75.280%0.80238%0.38SS*.SBendtrans-75.1-26.1175.5-63.3-44.7000112.9K91K91-D102 WeakPolarHBondContact CD-O 3.49Å
103S93.7Very high93.8Very high38 Ų3872.2 Ų72.227%0.26637%0.368SS..SBendtrans-117.9145.6-178.760.50000112.6F101 N105F101-S103 VanDerWaalsContact C-N 3.33Å; S103-N105 PolarHBondContact O-N 3.04Å; S103-N105 PolarHBondContact O-ND2 2.68Å; S103-N105 PolarHBondContact OG-ND2 3.24Å; S103-N105 PolarHBondContact OG-OD1 2.85Å
104N95.6Very high93.9Very high9 Ų970.4 Ų70.45%0.04835%0.354CS..  trans-74.8107.2170.4-62.9-29.6000109A30 I33 V39 R40 G89 H90 K91A30-N104 PolarHBondContact O-ND2 2.61Å; I33-N104 HydrophobicContact CD1-CB 4.11Å; I33-N104 HydrophobicContact CG1-CB 4.17Å; V39-N104 HydrophobicContact CG1-CB 4.15Å; R40-N104 PolarHBondContact N-O 3.16Å; G89-N104 CarbonylContact O-C 3.58Å; H90-N104 WeakPolarHBondContact CA-OD1 3.48Å; K91-N104 PolarHBondContact N-OD1 3.27Å
105N96.4Very high94.2Very high3 Ų369 Ų692%0.01634%0.335CS..EExtended strand (participates in β ladder)trans-106.6128.9-170.6-68.4-27.4000110.3V42 V88 G89 S103V42-N105 HydrophobicContact CG2-CB 3.67Å; V88-N105 PolarHBondContact N-O 3.08Å; G89-N105 PolarHBondContact N-O 3.43Å; G89-N105 PolarHBondContact O-N 2.96Å; S103-N105 PolarHBondContact O-N 3.04Å; S103-N105 PolarHBondContact O-ND2 2.68Å; S103-N105 PolarHBondContact OG-ND2 3.24Å; S103-N105 PolarHBondContact OG-OD1 2.85Å
106V97.4Very high94.5Very high0 Ų064.2 Ų64.20%032%0.316CS..EExtended strand (participates in β ladder)trans-131.3151.4176.9-59.20000111.4V39 R40 V41 V42 L76 A85 L86 I87V39-V106 HydrophobicContact CB-CG1 3.98Å; V39-V106 HydrophobicContact CB-CG2 4.01Å; V39-V106 HydrophobicContact CG1-CG1 4.1Å; V39-V106 HydrophobicContact CG2-CG1 4.16Å; V39-V106 HydrophobicContact CG2-CG2 3.62Å; R40-V106 PolarHBondContact O-N 3.43Å; V41-V106 WeakPolarHBondContact CA-O 3.35Å; V41-V106 HydrophobicContact CG2-CG2 4Å; V42-V106 PolarHBondContact N-O 3.21Å; L76-V106 HydrophobicContact CD2-CG2 4.36Å; A85-V106 HydrophobicContact CB-CB 4.16Å; A85-V106 HydrophobicContact CB-CG2 4.41Å; L86-V106 VanDerWaalsContact O-CA 3.29Å; L86-V106 WeakPolarHBondContact O-CA 3.24Å; I87-V106 HydrophobicContact CG1-CG1 4.41Å
107V97.4Very high94.6Very high1 Ų153 Ų531%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-117.4133.2173.2172.10000108.2D43 A85 L86 V88 I120 L138D43-V107 HydrophobicContact CB-CG1 4.44Å; A85-V107 CarbonylContact C-O 3.52Å; A85-V107 WeakPolarHBondContact CA-O 3.39Å; A85-V107 WeakPolarHBondContact CB-O 3.44Å; L86-V107 PolarHBondContact N-O 3.14Å; L86-V107 PolarHBondContact O-N 3.14Å; V88-V107 HydrophobicContact CG2-CB 4.17Å; V88-V107 HydrophobicContact CG2-CG2 3.64Å; V107-I120 HydrophobicContact CG1-CD1 4.5Å; V107-I120 HydrophobicContact CG2-CD1 4.15Å; V107-I120 HydrophobicContact CG2-CG1 4.13Å; V107-I120 HydrophobicContact CG2-CG2 4.23Å; V107-L138 HydrophobicContact CB-CD1 4.32Å; V107-L138 HydrophobicContact CG1-CD1 3.87Å; V107-L138 HydrophobicContact CG1-CG 4.31Å
108L97.6Very high94.7Very high0 Ų049.1 Ų49.10%026%0.262CS..EExtended strand (participates in β ladder)trans-73.9135.2-179.9-58.1-178.8000110.4V41 D43 L47 L76 I78 K83 A85 T116V41-L108 HydrophobicContact CG1-CD1 4.14Å; V41-L108 HydrophobicContact CG1-CD2 4.36Å; V41-L108 HydrophobicContact CG1-CG 3.84Å; V41-L108 HydrophobicContact CG2-CD2 4.25Å; D43-L108 VanDerWaalsContact OD2-CB 3.23Å; D43-L108 WeakPolarHBondContact OD2-CB 3.36Å; D43-L108 VanDerWaalsContact OD2-CG 3.31Å; D43-L108 WeakPolarHBondContact OD2-CG 3.46Å; D43-L108 PolarHBondContact OD2-N 3.49Å; L47-L108 HydrophobicContact CB-CD1 3.8Å; L47-L108 HydrophobicContact CD1-CD1 4.32Å; L76-L108 HydrophobicContact CD2-CD2 3.75Å; I78-L108 HydrophobicContact CD1-CD1 4.45Å; K83-L108 HydrophobicContact CG-CB 4.46Å; K83-L108 HydrophobicContact CG-CD2 4.5Å; A85-L108 HydrophobicContact CB-CD2 4.08Å; L108-T116 PolarHBondContact O-N 2.66Å
109I96.9Very high94.9Very high2 Ų254 Ų541%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-126154.6177.364.5173.9000110R73 K84 L86 N114 Y135 L138R73-I109 HydrophobicContact CG-CD1 4.31Å; K84-I109 HydrophobicContact CB-CD1 4.32Å; K84-I109 HydrophobicContact CB-CG1 3.74Å; K84-I109 PolarHBondContact O-N 2.95Å; L86-I109 HydrophobicContact CB-CG2 4.13Å; I109-N114 CarbonylContact C-O 3.59Å; I109-N114 WeakPolarHBondContact CA-O 3.28Å; I109-Y135 HydrophobicContact CD1-CE1 4.32Å; I109-L138 HydrophobicContact CG2-CD1 3.95Å
110E95.2Very high95Very high73 Ų7352.5 Ų52.534%0.34127%0.266SS..  trans-83.8173.5169.3-57.3-167.9148.300111.1N112 G113 N114E110-N112 PolarHBondContact O-N 2.93Å; E110-G113 PolarHBondContact O-N 2.82Å; E110-G113 VanDerWaalsContact O-N 3.08Å; E110-N114 PolarHBondContact N-O 3.23Å
111D92.4Very high94.9Very high113 Ų11351.1 Ų51.160%0.60427%0.265SS*.THydrogen-bonded Turntrans-61.5-27.7176.7-64.5-49.6000112.4K84 G113K84-D111 WeakPolarHBondContact CD-OD1 3.45Å; K84-D111 WeakPolarHBondContact CE-OD1 3.18Å; K84-D111 IonicContact NZ-OD1 2.66Å; K84-D111 PolarHBondContact NZ-OD1 2.79Å; D111-G113 VanDerWaalsContact C-N 3.28Å; D111-G113 PolarHBondContact O-N 3.46Å
112N90.7Very high94.9Very high133 Ų13350.8 Ų50.871%0.71127%0.265SS*.THydrogen-bonded Turntrans-81.3-0.7178.4-57.9-19.8000113.7E110 N114E110-N112 PolarHBondContact O-N 2.93Å; N112-N114 VanDerWaalsContact C-N 3.27Å; N112-N114 PolarHBondContact O-N 2.8Å
113G88.7Confident95Very high8 Ų845.5 Ų45.58%0.08224%0.239CC..SBendtrans82.5-5.1-176.900000115.2E110 D111E110-G113 PolarHBondContact O-N 2.82Å; E110-G113 VanDerWaalsContact O-N 3.08Å; D111-G113 VanDerWaalsContact C-N 3.28Å; D111-G113 PolarHBondContact O-N 3.46Å
114N94.7Very high95.1Very high46 Ų4643.8 Ų43.825%0.24623%0.227CC..  trans-67.2140.6173.6-63.5-34.9000110.9I109 E110 N112 K137I109-N114 CarbonylContact C-O 3.59Å; I109-N114 WeakPolarHBondContact CA-O 3.28Å; E110-N114 PolarHBondContact N-O 3.23Å; N112-N114 VanDerWaalsContact C-N 3.27Å; N112-N114 PolarHBondContact O-N 2.8Å; N114-K137 VanDerWaalsContact OD1-CD 3.3Å; N114-K137 WeakPolarHBondContact OD1-CD 3.31Å; N114-K137 PolarHBondContact OD1-NZ 2.92Å
115P96.8Very high95.1Very high21 Ų2143.3 Ų43.314%0.13622%0.224CC..BIsolated β-bridgetrans-69.3139.9173.329.2-33.1000110.5K137 L138 I141P115-K137 HydrophobicContact CG-CB 4.39Å; P115-L138 HydrophobicContact CB-CB 4.45Å; P115-L138 HydrophobicContact CB-CG 4.42Å; P115-L138 HydrophobicContact CG-CB 4.42Å; P115-I141 HydrophobicContact CB-CD1 4.46Å; P115-I141 HydrophobicContact CG-CD1 3.59Å
116T96Very high95.1Very high39 Ų3946.5 Ų46.524%0.23924%0.244CC..SBendtrans-77.8-27.6176.2-56.30000112.2K83 L108K83-T116 VanDerWaalsContact CE-OG1 3.3Å; K83-T116 WeakPolarHBondContact CE-OG1 3.31Å; L108-T116 PolarHBondContact O-N 2.66Å
117G94.8Very high94.8Very high6 Ų648.4 Ų48.46%0.06225%0.253CS..SBendtrans-97.3155.9176.100000112.8
118T95.9Very high94.6Very high113 Ų11348.7 Ų48.769%0.69325%0.254SS*.SBendtrans-90.1-19.1179.2-39.80000113.2N44 I141N44-T118 PolarHBondContact OD1-N 2.98Å; T118-I141 WeakPolarHBondContact O-CG2 3.4Å
119R95.4Very high94.4Very high161 Ų16154.2 Ų54.261%0.60828%0.275SS*.  trans-143135.2-178.1-172.3176.8178.2-1621.3111.5N44N44-R119 PolarHBondContact N-O 3.41Å; N44-R119 VanDerWaalsContact N-O 3.1Å; N44-R119 PolarHBondContact OD1-N 2.64Å; N44-R119 PolarHBondContact OD1-O 3.06Å
120I96.5Very high94.1Very high3 Ų363.2 Ų63.22%0.01531%0.314CS..BIsolated β-bridgetrans-99.4130.3172.8-56.2163000109.9V107 V122 L124 L138 I141 A142V107-I120 HydrophobicContact CG1-CD1 4.5Å; V107-I120 HydrophobicContact CG2-CD1 4.15Å; V107-I120 HydrophobicContact CG2-CG1 4.13Å; V107-I120 HydrophobicContact CG2-CG2 4.23Å; I120-V122 HydrophobicContact CG2-CG2 4.18Å; I120-L124 HydrophobicContact CD1-CD1 4.07Å; I120-L124 HydrophobicContact CD1-CD2 4.22Å; I120-L124 HydrophobicContact CG2-CD2 3.95Å; I120-L138 HydrophobicContact CD1-CD2 3.79Å; I120-L138 HydrophobicContact CD1-CG 4.19Å; I120-I141 HydrophobicContact CD1-CG2 4.31Å; I120-I141 HydrophobicContact CG1-CG2 4.07Å; I120-A142 HydrophobicContact CD1-CB 4.43Å
121K92.3Very high93.6Very high127 Ų12762.9 Ų62.955%0.55231%0.313SS*.  trans-85.6-21.6-172.2-62.8175.2-1781710114.2V42V42-K121 HydrophobicContact CG1-CB 4.14Å; V42-K121 PolarHBondContact O-N 3.01Å
122V95.1Very high93Very high20 Ų2062.7 Ų62.712%0.12131%0.309CS..SBendtrans-110157.1-178-71.10000111.4V42 I120V42-V122 HydrophobicContact CB-CG2 3.76Å; V42-V122 HydrophobicContact CG1-CB 3.72Å; V42-V122 HydrophobicContact CG1-CG1 3.29Å; V42-V122 HydrophobicContact CG1-CG2 3.25Å; V42-V122 HydrophobicContact CG2-CG2 4.1Å; I120-V122 HydrophobicContact CG2-CG2 4.18Å
123P96.1Very high92.7Very high40 Ų4059.7 Ų59.726%0.2631%0.309SS..PPolyproline II helixtrans-62.7145.7170.225.8-34000111.7F101 R144 V146F101-P123 HydrophobicContact CE1-CG 4.35Å; P123-R144 WeakPolarHBondContact CA-O 3.29Å; P123-R144 HydrophobicContact CB-CB 4.06Å; P123-V146 HydrophobicContact CB-CG2 3.62Å; P123-V146 HydrophobicContact CG-CG2 4.08Å
124L96.1Very high92.6Very high1 Ų164.2 Ų64.21%0.00533%0.332CS..BIsolated β-bridgetrans-99.6148172.1-53.1-167.9000111V88 I120 L128 L138 L139 A142 R144 F145 V146V88-L124 HydrophobicContact CB-CD2 4.28Å; V88-L124 HydrophobicContact CG1-CD2 3.18Å; V88-L124 HydrophobicContact CG1-CG 4.38Å; V88-L124 HydrophobicContact CG2-CD2 4.11Å; I120-L124 HydrophobicContact CD1-CD1 4.07Å; I120-L124 HydrophobicContact CD1-CD2 4.22Å; I120-L124 HydrophobicContact CG2-CD2 3.95Å; L124-L128 HydrophobicContact CB-CD1 4.42Å; L124-L138 HydrophobicContact CD1-CD2 3.93Å; L124-L139 HydrophobicContact CD1-CD2 4.5Å; L124-A142 HydrophobicContact CD1-CB 3.31Å; L124-A142 HydrophobicContact CG-CB 3.75Å; L124-R144 PolarHBondContact N-O 3.24Å; L124-F145 HydrophobicContact CB-CD1 4.08Å; L124-F145 HydrophobicContact CB-CE1 4.1Å; L124-F145 HydrophobicContact CD1-CE1 4.37Å; L124-F145 CarbonylContact O-C 3.48Å; L124-F145 WeakPolarHBondContact O-CA 3.4Å; L124-V146 PolarHBondContact O-N 2.84Å
125P95.8Very high92.5Very high0 Ų062.3 Ų62.30%032%0.321CS..PPolyproline II helixtrans-65.9137.7169.720.5-25.8000112.3V70 V88 P99 F101 H127 L128 V146V70-P125 HydrophobicContact CG1-CG 3.7Å; V88-P125 WeakPolarHBondContact O-CD 3.33Å; V88-P125 VanDerWaalsContact O-CG 3.24Å; V88-P125 WeakPolarHBondContact O-CG 3.38Å; P99-P125 HydrophobicContact CG-CB 3.66Å; F101-P125 HydrophobicContact CE2-CG 4.37Å; P125-H127 VanDerWaalsContact C-N 3.26Å; P125-H127 WeakPolarHBondContact CB-NE2 3.23Å; P125-H127 WeakPolarHBondContact CG-NE2 3.16Å; P125-H127 PolarHBondContact O-N 3.35Å; P125-L128 HydrophobicContact CG-CD1 3.73Å; P125-L128 HydrophobicContact CG-CG 4Å; P125-L128 WeakPolarHBondContact O-CB 3.3Å; P125-L128 PolarHBondContact O-N 3.02Å; P125-V146 CarbonylContact C-O 3.46Å; P125-V146 VanDerWaalsContact CA-O 3.25Å; P125-V146 WeakPolarHBondContact CA-O 3.48Å
126T94.9Very high92.3Very high70 Ų7064.1 Ų64.143%0.42933%0.334SS..G310 helixtrans-59.9-31.6179.346.90000113.5L128 R129 F145 V146T126-L128 PolarHBondContact O-N 3.35Å; T126-L128 VanDerWaalsContact O-N 3.11Å; T126-R129 WeakPolarHBondContact O-CB 3.34Å; T126-R129 PolarHBondContact O-N 3.41Å; T126-F145 HydrophobicContact CG2-CB 3.88Å; T126-V146 WeakPolarHBondContact CG2-O 3.48Å; T126-V146 PolarHBondContact N-O 3.39Å; T126-V146 PolarHBondContact OG1-O 3.25Å
127H91.9Very high92.2Very high40 Ų4068.2 Ų68.219%0.18535%0.348CS..G310 helixtrans-61.8-20.417959.6-131.7000113.8V70 N98 P125 R129 K130V70-H127 WeakPolarHBondContact CG1-NE2 3.5Å; N98-H127 PolarHBondContact OD1-ND1 2.99Å; P125-H127 VanDerWaalsContact C-N 3.26Å; P125-H127 WeakPolarHBondContact CB-NE2 3.23Å; P125-H127 WeakPolarHBondContact CG-NE2 3.16Å; P125-H127 PolarHBondContact O-N 3.35Å; H127-R129 PolarHBondContact O-N 3.23Å; H127-K130 WeakPolarHBondContact O-CB 3.41Å; H127-K130 WeakPolarHBondContact O-CG 3.39Å; H127-K130 PolarHBondContact O-N 3.19Å
128L92.9Very high92.2Very high7 Ų768 Ų684%0.03735%0.346CS..G310 helixtrans-65.5-20175.5-76.1173.4000112.4V70 L124 P125 T126 K130 M131 L139V70-L128 HydrophobicContact CG1-CD1 3.98Å; V70-L128 HydrophobicContact CG1-CD2 3.68Å; V70-L128 HydrophobicContact CG1-CG 3.83Å; L124-L128 HydrophobicContact CB-CD1 4.42Å; P125-L128 HydrophobicContact CG-CD1 3.73Å; P125-L128 HydrophobicContact CG-CG 4Å; P125-L128 WeakPolarHBondContact O-CB 3.3Å; P125-L128 PolarHBondContact O-N 3.02Å; T126-L128 PolarHBondContact O-N 3.35Å; T126-L128 VanDerWaalsContact O-N 3.11Å; L128-K130 PolarHBondContact O-N 3.43Å; L128-M131 HydrophobicContact CD2-SD 4.44Å; L128-M131 PolarHBondContact O-N 3.2Å; L128-L139 HydrophobicContact CB-CD2 4.09Å
129R92.9Very high92.1Very high116 Ų11663.1 Ų63.144%0.43832%0.315SS..G310 helixtrans-64.7-21.1175.2-68.9-180171.3-98.92.6113.2T126 H127 M131 E132 L139 F145T126-R129 WeakPolarHBondContact O-CB 3.34Å; T126-R129 PolarHBondContact O-N 3.41Å; H127-R129 PolarHBondContact O-N 3.23Å; R129-M131 PolarHBondContact O-N 2.84Å; R129-M131 VanDerWaalsContact O-N 3.13Å; R129-E132 WeakPolarHBondContact O-CB 3.48Å; R129-E132 PolarHBondContact O-N 3.1Å; R129-L139 HydrophobicContact CG-CD2 4.43Å; R129-F145 HydrophobicContact CG-CE1 4.21Å; R129-F145 VanDerWaalsContact NH2-CZ 3.3Å
130K90.5Very high92.1Very high191 Ų19159.5 Ų59.583%0.8332%0.32SS*.G310 helixtrans-62.4-19.7172.8-62.3179.4-178.8179.70112.4H127 L128H127-K130 WeakPolarHBondContact O-CB 3.41Å; H127-K130 WeakPolarHBondContact O-CG 3.39Å; H127-K130 PolarHBondContact O-N 3.19Å; L128-K130 PolarHBondContact O-N 3.43Å
131M84.3Confident92Very high66 Ų6661.8 Ų61.833%0.32533%0.332SS..G310 helixtrans-10127.2-178.9-53.4-177.676.800112.6L128 R129 G133 D134 Y135L128-M131 HydrophobicContact CD2-SD 4.44Å; L128-M131 PolarHBondContact O-N 3.2Å; R129-M131 PolarHBondContact O-N 2.84Å; R129-M131 VanDerWaalsContact O-N 3.13Å; M131-G133 PolarHBondContact O-N 2.79Å; M131-G133 VanDerWaalsContact O-N 3.13Å; M131-D134 PolarHBondContact O-N 2.91Å; M131-Y135 HydrophobicContact CB-CD2 4.1Å; M131-Y135 HydrophobicContact CE-CD2 4.29Å; M131-Y135 HydrophobicContact CE-CE2 3.8Å; M131-Y135 PolarHBondContact O-N 2.77Å
132E80.1Confident92.1Very high109 Ų10956.4 Ų56.451%0.50931%0.311SS..Hα-helixtrans-60.2-24.1-173.8-170.2161.4-154.400113.9R129 S136 L139R129-E132 WeakPolarHBondContact O-CB 3.48Å; R129-E132 PolarHBondContact O-N 3.1Å; E132-S136 WeakPolarHBondContact O-CA 3Å; E132-S136 WeakPolarHBondContact O-CB 3.45Å; E132-S136 PolarHBondContact O-N 3.12Å; E132-S136 VanDerWaalsContact O-N 3.14Å; E132-S136 PolarHBondContact O-OG 3.24Å; E132-L139 HydrophobicContact CB-CD1 4.06Å; E132-L139 HydrophobicContact CG-CD1 4.23Å
133G84.8Confident92.1Very high70 Ų7058.9 Ų58.972%0.72233%0.329SS*.Hα-helixtrans-62.6-52.617400000113.2M131 S136M131-G133 PolarHBondContact O-N 2.79Å; M131-G133 VanDerWaalsContact O-N 3.13Å; G133-S136 PolarHBondContact O-OG 3.49Å
134D87Confident92Very high103 Ų10365.7 Ų65.755%0.55135%0.35SS*.Hα-helixtrans-79.8-27.7-173.6-71.2-20.8000113.2R73 M131R73-D134 IonicContact NH2-OD2 3.86Å; M131-D134 PolarHBondContact O-N 2.91Å
135Y92.1Very high92Very high6 Ų668.3 Ų68.32%0.02436%0.361CS..Hα-helixtrans-128.326.7-168.4-60.4-64.3000114.2R73 L86 I109 M131 K137 L138 L139R73-Y135 WeakPolarHBondContact CD-OH 3.38Å; R73-Y135 WeakPolarHBondContact CG-OH 3.19Å; R73-Y135 PolarHBondContact NE-OH 2.74Å; L86-Y135 HydrophobicContact CD1-CE1 4.08Å; L86-Y135 HydrophobicContact CD1-CE2 3.87Å; L86-Y135 HydrophobicContact CD2-CD1 4.15Å; L86-Y135 HydrophobicContact CD2-CD2 4.3Å; L86-Y135 HydrophobicContact CD2-CE1 4.24Å; L86-Y135 HydrophobicContact CD2-CE2 4.39Å; L86-Y135 HydrophobicContact CD2-CG 4.17Å; I109-Y135 HydrophobicContact CD1-CE1 4.32Å; M131-Y135 HydrophobicContact CB-CD2 4.1Å; M131-Y135 HydrophobicContact CE-CD2 4.29Å; M131-Y135 HydrophobicContact CE-CE2 3.8Å; M131-Y135 PolarHBondContact O-N 2.77Å; Y135-K137 VanDerWaalsContact C-N 3.27Å; Y135-K137 PolarHBondContact O-N 2.72Å; Y135-L138 WeakPolarHBondContact O-CB 3.41Å; Y135-L138 PolarHBondContact O-N 2.88Å; Y135-L139 PolarHBondContact O-N 3.19Å
136S93.3Very high91.9Very high58 Ų5873.1 Ų73.141%0.40639%0.39SS..Hα-helixtrans-53.3-44.2-176.4-14.70000112.2E132 G133 L138 L139 A140E132-S136 WeakPolarHBondContact O-CA 3Å; E132-S136 WeakPolarHBondContact O-CB 3.45Å; E132-S136 PolarHBondContact O-N 3.12Å; E132-S136 VanDerWaalsContact O-N 3.14Å; E132-S136 PolarHBondContact O-OG 3.24Å; G133-S136 PolarHBondContact O-OG 3.49Å; S136-L138 VanDerWaalsContact C-N 3.34Å; S136-L138 PolarHBondContact O-N 2.96Å; S136-L139 PolarHBondContact O-N 2.79Å; S136-A140 WeakPolarHBondContact O-CB 3.36Å; S136-A140 PolarHBondContact O-N 3.25Å
137K93.8Very high91.8Very high125 Ų12573.3 Ų73.354%0.54339%0.388SS..Hα-helixtrans-65.6-35.2179.4-64.1-177.5-169.3167.40113N114 P115 Y135 I141N114-K137 VanDerWaalsContact OD1-CD 3.3Å; N114-K137 WeakPolarHBondContact OD1-CD 3.31Å; N114-K137 PolarHBondContact OD1-NZ 2.92Å; P115-K137 HydrophobicContact CG-CB 4.39Å; Y135-K137 VanDerWaalsContact C-N 3.27Å; Y135-K137 PolarHBondContact O-N 2.72Å; K137-I141 WeakPolarHBondContact O-CD1 3.13Å; K137-I141 WeakPolarHBondContact O-CG1 3.38Å; K137-I141 PolarHBondContact O-N 3.11Å
138L94.3Very high91.8Very high1 Ų175 Ų751%0.00540%0.399CS..Hα-helixtrans-70.3-42.8178-168.6157.5000110.4L86 V107 I109 P115 I120 L124 Y135 S136 A140 I141 A142L86-L138 HydrophobicContact CB-CD1 4.35Å; L86-L138 HydrophobicContact CD2-CD1 3.68Å; L86-L138 HydrophobicContact CD2-CD2 4.4Å; V107-L138 HydrophobicContact CB-CD1 4.32Å; V107-L138 HydrophobicContact CG1-CD1 3.87Å; V107-L138 HydrophobicContact CG1-CG 4.31Å; I109-L138 HydrophobicContact CG2-CD1 3.95Å; P115-L138 HydrophobicContact CB-CB 4.45Å; P115-L138 HydrophobicContact CB-CG 4.42Å; P115-L138 HydrophobicContact CG-CB 4.42Å; I120-L138 HydrophobicContact CD1-CD2 3.79Å; I120-L138 HydrophobicContact CD1-CG 4.19Å; L124-L138 HydrophobicContact CD1-CD2 3.93Å; Y135-L138 WeakPolarHBondContact O-CB 3.41Å; Y135-L138 PolarHBondContact O-N 2.88Å; S136-L138 VanDerWaalsContact C-N 3.34Å; S136-L138 PolarHBondContact O-N 2.96Å; L138-A140 VanDerWaalsContact C-N 3.34Å; L138-I141 PolarHBondContact O-N 3.37Å; L138-A142 PolarHBondContact O-N 2.74Å
139L94.4Very high91.7Very high11 Ų1178.8 Ų78.86%0.05842%0.419CS..Hα-helixtrans-65.4-36.7176.3-65.2172.8000112.1L124 L128 R129 E132 Y135 S136 I141 A142 F145L124-L139 HydrophobicContact CD1-CD2 4.5Å; L128-L139 HydrophobicContact CB-CD2 4.09Å; R129-L139 HydrophobicContact CG-CD2 4.43Å; E132-L139 HydrophobicContact CB-CD1 4.06Å; E132-L139 HydrophobicContact CG-CD1 4.23Å; Y135-L139 PolarHBondContact O-N 3.19Å; S136-L139 PolarHBondContact O-N 2.79Å; L139-I141 VanDerWaalsContact C-N 3.3Å; L139-I141 PolarHBondContact O-N 3.17Å; L139-A142 WeakPolarHBondContact O-CB 3.49Å; L139-A142 PolarHBondContact O-N 2.77Å; L139-F145 HydrophobicContact CD2-CE1 4.17Å
140A94.3Very high91.7Very high86 Ų8676.6 Ų76.671%0.71142%0.418SS*.Hα-helixtrans-64.8-32176.800000113.2S136 L138 A142S136-A140 WeakPolarHBondContact O-CB 3.36Å; S136-A140 PolarHBondContact O-N 3.25Å; L138-A140 VanDerWaalsContact C-N 3.34Å; A140-A142 VanDerWaalsContact C-N 3.32Å
141I95.7Very high91.7Very high51 Ų5169.4 Ų69.426%0.26239%0.392SS..Hα-helixtrans-78-18.7178.2-78164000112.4P115 T118 I120 K137 L138 L139 S143P115-I141 HydrophobicContact CB-CD1 4.46Å; P115-I141 HydrophobicContact CG-CD1 3.59Å; T118-I141 WeakPolarHBondContact O-CG2 3.4Å; I120-I141 HydrophobicContact CD1-CG2 4.31Å; I120-I141 HydrophobicContact CG1-CG2 4.07Å; K137-I141 WeakPolarHBondContact O-CD1 3.13Å; K137-I141 WeakPolarHBondContact O-CG1 3.38Å; K137-I141 PolarHBondContact O-N 3.11Å; L138-I141 PolarHBondContact O-N 3.37Å; L139-I141 VanDerWaalsContact C-N 3.3Å; L139-I141 PolarHBondContact O-N 3.17Å; I141-S143 PolarHBondContact O-N 3.11Å
142A95Very high92.2Very high13 Ų1369.7 Ų69.711%0.10740%0.397CS..  trans-71.7127.2-176.400000111.8I120 L124 L138 L139 A140 F145I120-A142 HydrophobicContact CD1-CB 4.43Å; L124-A142 HydrophobicContact CD1-CB 3.31Å; L124-A142 HydrophobicContact CG-CB 3.75Å; L138-A142 PolarHBondContact O-N 2.74Å; L139-A142 WeakPolarHBondContact O-CB 3.49Å; L139-A142 PolarHBondContact O-N 2.77Å; A140-A142 VanDerWaalsContact C-N 3.32Å; A142-F145 HydrophobicContact CB-CE1 4.24Å; A142-F145 HydrophobicContact CB-CE2 3.9Å; A142-F145 HydrophobicContact CB-CZ 3.55Å
143S93.4Very high93.1Very high73 Ų7366.9 Ų66.951%0.5139%0.389SS..  trans-88.3-27.7-176.758.30000114.4I141I141-S143 PolarHBondContact O-N 3.11Å
144R95.4Very high93.7Very high182 Ų18266.6 Ų66.669%0.68736%0.363SS*.  trans-139.5143.8-174.5-64.4-177.7-179.1176.9-1110.2P123 L124P123-R144 WeakPolarHBondContact CA-O 3.29Å; P123-R144 HydrophobicContact CB-CB 4.06Å; L124-R144 PolarHBondContact N-O 3.24Å
145F95.8Very high94.3Very high56 Ų5663.6 Ų63.625%0.24635%0.348CS..BIsolated β-bridgetrans-125.8145.8177-67.5-93.3000110.7L124 T126 R129 L139 A142L124-F145 HydrophobicContact CB-CD1 4.08Å; L124-F145 HydrophobicContact CB-CE1 4.1Å; L124-F145 HydrophobicContact CD1-CE1 4.37Å; L124-F145 CarbonylContact O-C 3.48Å; L124-F145 WeakPolarHBondContact O-CA 3.4Å; T126-F145 HydrophobicContact CG2-CB 3.88Å; R129-F145 HydrophobicContact CG-CE1 4.21Å; R129-F145 VanDerWaalsContact NH2-CZ 3.3Å; L139-F145 HydrophobicContact CD2-CE1 4.17Å; A142-F145 HydrophobicContact CB-CE1 4.24Å; A142-F145 HydrophobicContact CB-CE2 3.9Å; A142-F145 HydrophobicContact CB-CZ 3.55Å
146V94.1Very high94.5Very high101 Ų10168.8 Ų68.861%0.61238%0.377SS*.  trans-129.60177.8178.30000109.9P99 P123 L124 P125 T126P99-V146 HydrophobicContact CB-CG1 3.98Å; P99-V146 HydrophobicContact CG-CG1 4.49Å; P123-V146 HydrophobicContact CB-CG2 3.62Å; P123-V146 HydrophobicContact CG-CG2 4.08Å; L124-V146 PolarHBondContact O-N 2.84Å; P125-V146 CarbonylContact C-O 3.46Å; P125-V146 VanDerWaalsContact CA-O 3.25Å; P125-V146 WeakPolarHBondContact CA-O 3.48Å; T126-V146 WeakPolarHBondContact CG2-O 3.48Å; T126-V146 PolarHBondContact N-O 3.39Å; T126-V146 PolarHBondContact OG1-O 3.25Å

Retrieved 146 of 146 residues in 130.4 ms (Link to these results)