A0A077Z0Z0_TRITR Loading...

EGF and hEGF domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0Z0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 267 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
1M21.5Very low27Very low232 Ų232131.5 Ų131.5100%1.14375%0.746SS**  0125.80-76.2167.4172.600106.8
2G24.3Very low27.1Very low70 Ų70124.6 Ų124.672%0.72271%0.712SS**  trans-67.4140.9-178.400000111D4G2-D4 PolarHBondContact O-N 3.17Å
3W26.1Very low26.9Very low165 Ų165128.2 Ų128.263%0.62571%0.714SS**  trans-80.346.5-172.7-69.156.3000111.9G5 T35 L39 L97W3-G5 PolarHBondContact O-N 2.86Å; W3-T35 HydrophobicContact CH2-CG2 4.47Å; W3-L39 HydrophobicContact CE3-CD2 4.36Å; W3-L39 HydrophobicContact CH2-CD2 4.35Å; W3-L39 HydrophobicContact CZ3-CD2 3.87Å; W3-L97 HydrophobicContact CH2-CD1 3.97Å
4D23.4Very low27.1Very low172 Ų172123.8 Ų123.892%0.9269%0.693SS**THydrogen-bonded Turntrans-87.984.7176.2-81.3-27.7000109G2G2-D4 PolarHBondContact O-N 3.17Å
5G25.9Very low27.9Very low67 Ų67117.6 Ų117.669%0.69165%0.654SS**THydrogen-bonded Turntrans-179.6-22.7176.300000116.2W3 N7W3-G5 PolarHBondContact O-N 2.86Å; G5-N7 PolarHBondContact O-N 3.06Å
6V28.9Very low28.2Very low97 Ų97114 Ų11459%0.58863%0.633SS**  trans-85.864.2178.2-164.20000109.8D8 I11V6-D8 PolarHBondContact O-N 2.93Å; V6-I11 HydrophobicContact CG1-CD1 4.4Å
7N28.2Very low28.7Very low154 Ų154107.8 Ų107.882%0.82460%0.6SS**  trans-78.691.1164.8-95.3-19.4000108G5G5-N7 PolarHBondContact O-N 3.06Å
8D29.5Very low29Very low124 Ų124103.4 Ų103.466%0.66358%0.576SS**  trans-166.1120.8140.2-102.8-28.7000113V6 N10 I11V6-D8 PolarHBondContact O-N 2.93Å; D8-N10 VanDerWaalsContact C-N 3.26Å; D8-N10 PolarHBondContact O-N 2.88Å; D8-I11 HydrophobicContact CB-CD1 4.27Å
9T30.9Very low29.2Very low132 Ų132100.6 Ų100.681%0.8156%0.56SS**THydrogen-bonded Turntrans-71.524.2-16036.30000116.8
10N29.7Very low29.4Very low145 Ų145100.7 Ų100.778%0.77555%0.552SS**THydrogen-bonded Turntrans-148.218.6-176.1-82.7-60.1000116.1D8 C12D8-N10 VanDerWaalsContact C-N 3.26Å; D8-N10 PolarHBondContact O-N 2.88Å; N10-C12 PolarHBondContact O-N 2.86Å
11I28.6Very low29.5Very low88 Ų8897.7 Ų97.745%0.45153%0.533SS..  trans-79.5-11.3-166.5-71.2170.3000114.6V6 D8 W15V6-I11 HydrophobicContact CG1-CD1 4.4Å; D8-I11 HydrophobicContact CB-CD1 4.27Å; I11-W15 HydrophobicContact CG2-CH2 4.44Å; I11-W15 HydrophobicContact CG2-CZ2 3.77Å; I11-W15 PolarHBondContact O-NE1 3.45Å
12C27.8Very low30Very low49 Ų4990 Ų9033%0.33150%0.5SS..  trans-123.647.5-165.9-57.70000118.2N10 T14 N41N10-C12 PolarHBondContact O-N 2.86Å; C12-T14 PolarHBondContact O-N 3.29Å; C12-N41 HydrophobicContact CB-CB 4.28Å
13K25.1Very low30.5Very low171 Ų17190.8 Ų90.874%0.74349%0.491SS*.SBendtrans-83.693.8157.7-73.6-173.3179.4179.70109.7
14T30Very low30.9Very low67 Ų6789.8 Ų89.841%0.41150%0.498SS..  trans67.4113.4162.3-29.10000117.2C12 L45C12-T14 PolarHBondContact O-N 3.29Å; T14-L45 HydrophobicContact CG2-CD1 4.15Å
15W38.3Very low31.6Very low31 Ų3185.9 Ų85.912%0.11747%0.474CS..EExtended strand (participates in β ladder)trans-113.5139.4-168.5-72.641.1000111.6I11 L45 I67 I88I11-W15 HydrophobicContact CG2-CH2 4.44Å; I11-W15 HydrophobicContact CG2-CZ2 3.77Å; I11-W15 PolarHBondContact O-NE1 3.45Å; W15-L45 WeakPolarHBondContact O-CB 3.04Å; W15-L45 WeakPolarHBondContact O-CG 3.33Å; W15-L45 PolarHBondContact O-N 2.78Å; W15-L45 VanDerWaalsContact O-N 3.08Å; W15-I67 HydrophobicContact CD2-CG2 3.82Å; W15-I67 HydrophobicContact CE3-CB 4.19Å; W15-I67 HydrophobicContact CE3-CG2 2.95Å; W15-I67 HydrophobicContact CH2-CG2 4.08Å; W15-I67 HydrophobicContact CZ3-CB 3.88Å; W15-I67 HydrophobicContact CZ3-CD1 4.04Å; W15-I67 HydrophobicContact CZ3-CG2 3.09Å; W15-I88 HydrophobicContact CH2-CD1 4.29Å
16L33.2Very low32.3Very low60 Ų6086.4 Ų86.431%0.31446%0.46SS..EExtended strand (participates in β ladder)trans-121.1100.9176.7-159.7107.6000108.3V18 L45 Y111L16-V18 HydrophobicContact CD2-CG2 3.33Å; L16-V18 HydrophobicContact CG-CG2 3.91Å; L16-L45 HydrophobicContact CD1-CB 3.91Å; L16-L45 HydrophobicContact CD1-CD1 3.82Å; L16-L45 HydrophobicContact CG-CB 4.4Å; L16-Y111 HydrophobicContact CD2-CD1 4.27Å; L16-Y111 HydrophobicContact CD2-CE1 3.49Å; L16-Y111 VanDerWaalsContact CD2-CE1 3.49Å
17A36.8Very low32.9Very low8 Ų887.7 Ų87.77%0.06646%0.464CS..EExtended strand (participates in β ladder)trans-81.1124.5173.500000107.3M44 L45 P47 V65A17-M44 HydrophobicContact CB-CG 3.68Å; A17-M44 HydrophobicContact CB-SD 3.81Å; A17-L45 PolarHBondContact N-O 2.78Å; A17-P47 WeakPolarHBondContact O-CD 3.31Å; A17-P47 VanDerWaalsContact O-CG 3.23Å; A17-P47 WeakPolarHBondContact O-CG 3.48Å; A17-V65 HydrophobicContact CB-CG1 4.15Å
18V33.4Very low33.5Very low29 Ų2982 Ų8218%0.17643%0.433CS..EExtended strand (participates in β ladder)trans-134.9113.4179.7-175.10000109L16 P47 Y111L16-V18 HydrophobicContact CD2-CG2 3.33Å; L16-V18 HydrophobicContact CG-CG2 3.91Å; V18-P47 HydrophobicContact CB-CB 4.29Å; V18-P47 HydrophobicContact CG1-CB 4.06Å; V18-P47 HydrophobicContact CG2-CB 4.25Å; V18-Y111 WeakPolarHBondContact CB-OH 3.03Å; V18-Y111 WeakPolarHBondContact CG1-OH 3.4Å; V18-Y111 HydrophobicContact CG2-CE1 4.14Å; V18-Y111 WeakPolarHBondContact CG2-OH 3.19Å
19N33.7Very low34.1Very low51 Ų5177.9 Ų77.927%0.27341%0.411SS..  trans-157.7162.9136.3-108.5-33.8000111.9Y21 V62 G64 V65N19-Y21 WeakPolarHBondContact O-CD2 3.28Å; N19-Y21 WeakPolarHBondContact O-CE2 3.49Å; N19-Y21 PolarHBondContact O-N 3.19Å; N19-V62 HydrophobicContact CB-CG1 3.81Å; N19-G64 WeakPolarHBondContact CB-O 2.98Å; N19-G64 PolarHBondContact ND2-O 2.88Å; N19-V65 HydrophobicContact CB-CG2 4.46Å
20Y32.9Very low34.8Very low101 Ų10174.5 Ų74.540%0.39639%0.388SS..  trans-69.3118.7-179.1-70.8-120.9000108.5V50Y20-V50 HydrophobicContact CD1-CB 3.58Å; Y20-V50 HydrophobicContact CD1-CG1 4.5Å; Y20-V50 HydrophobicContact CD1-CG2 3.63Å; Y20-V50 HydrophobicContact CE1-CB 3.23Å; Y20-V50 HydrophobicContact CE1-CG1 3.84Å; Y20-V50 HydrophobicContact CE1-CG2 3Å; Y20-V50 VanDerWaalsContact CZ-CG2 3.49Å
21Y31.3Very low35.6Very low39 Ų3974.8 Ų74.815%0.15338%0.382CS..  trans-106.4133.1173.8-58.4-91.8000109.5N19 L29 V65 M92N19-Y21 WeakPolarHBondContact O-CD2 3.28Å; N19-Y21 WeakPolarHBondContact O-CE2 3.49Å; N19-Y21 PolarHBondContact O-N 3.19Å; Y21-L29 HydrophobicContact CE2-CD1 3.81Å; Y21-V65 HydrophobicContact CE1-CG2 3.97Å; Y21-V65 WeakPolarHBondContact OH-CG2 3.28Å; Y21-M92 HydrophobicContact CD1-CE 3.55Å; Y21-M92 HydrophobicContact CD1-SD 4.48Å; Y21-M92 HydrophobicContact CE1-CE 3.29Å; Y21-M92 HydrophobicContact CE1-SD 3.68Å
22P32Very low36.2Very low70 Ų7071 Ų7146%0.45536%0.364SS..  trans-58.7140.8156.846.3000108.2D24 E25P22-D24 PolarHBondContact O-N 3.12Å; P22-E25 PolarHBondContact O-N 2.86Å
23T34.8Very low37.1Very low87 Ų8769.7 Ų69.753%0.53435%0.354SS..THydrogen-bonded Turntrans-55.4-11.6-176.741.70000114.9I26T23-I26 WeakPolarHBondContact O-CD1 3.44Å; T23-I26 VanDerWaalsContact O-CG1 3.27Å; T23-I26 WeakPolarHBondContact O-CG1 3.23Å
24D34.7Very low38Very low143 Ų14363.9 Ų63.977%0.76534%0.338SS*.THydrogen-bonded Turntrans-98.1-7.1-166.5-46.5-14000111.9P22P22-D24 PolarHBondContact O-N 3.12Å
25E38.1Very low38.7Very low90 Ų9063.4 Ų63.442%0.42134%0.335SS..  trans-111.232.7177.3-69.5-171.2169.300113P22 D27 I28P22-E25 PolarHBondContact O-N 2.86Å; E25-D27 PolarHBondContact O-N 2.87Å; E25-D27 VanDerWaalsContact O-N 3.11Å; E25-I28 HydrophobicContact CB-CD1 3.97Å; E25-I28 HydrophobicContact CB-CG1 4.33Å; E25-I28 HydrophobicContact CG-CD1 4.12Å; E25-I28 PolarHBondContact O-N 2.79Å; E25-I28 WeakPolarHBondContact OE2-CD1 3.44Å
26I41.6Very low38.9Very low79 Ų7962.8 Ų62.841%0.40534%0.335SS..Hα-helixtrans-51.1-34176.3-70.4164.9000112T23 I28 L29 D30T23-I26 WeakPolarHBondContact O-CD1 3.44Å; T23-I26 VanDerWaalsContact O-CG1 3.27Å; T23-I26 WeakPolarHBondContact O-CG1 3.23Å; I26-I28 VanDerWaalsContact C-N 3.26Å; I26-I28 PolarHBondContact O-N 3.27Å; I26-L29 WeakPolarHBondContact O-CB 3.38Å; I26-L29 PolarHBondContact O-N 3.29Å; I26-L29 VanDerWaalsContact O-N 3.17Å; I26-D30 PolarHBondContact O-N 2.85Å
27D40.2Very low39.5Very low124 Ų12464 Ų6466%0.66334%0.342SS*.Hα-helixtrans-60.5-32.4179.3-70.8-12.7000113.3E25 K31E25-D27 PolarHBondContact O-N 2.87Å; E25-D27 VanDerWaalsContact O-N 3.11Å; D27-K31 WeakPolarHBondContact O-CG 3.33Å; D27-K31 PolarHBondContact O-N 3.03Å
28I40.3Very low39.8Very low35 Ų3570.4 Ų70.418%0.17938%0.375CS..Hα-helixtrans-76.2-38179.6-53.1177.5000109.9E25 I26 K31 A32 M90 M92E25-I28 HydrophobicContact CB-CD1 3.97Å; E25-I28 HydrophobicContact CB-CG1 4.33Å; E25-I28 HydrophobicContact CG-CD1 4.12Å; E25-I28 PolarHBondContact O-N 2.79Å; E25-I28 WeakPolarHBondContact OE2-CD1 3.44Å; I26-I28 VanDerWaalsContact C-N 3.26Å; I26-I28 PolarHBondContact O-N 3.27Å; I28-K31 PolarHBondContact O-N 3.48Å; I28-A32 PolarHBondContact O-N 3.49Å; I28-M90 HydrophobicContact CG2-CE 4.39Å; I28-M92 HydrophobicContact CB-CE 3.91Å; I28-M92 HydrophobicContact CD1-CE 4.04Å; I28-M92 HydrophobicContact CG2-CE 3.41Å; I28-M92 VanDerWaalsContact CG2-CE 3.41Å; I28-M92 HydrophobicContact CG2-SD 3.76Å
29L43.4Very low40Very low36 Ų3671.7 Ų71.719%0.18838%0.381CS..Hα-helixtrans-63.4-43.3172.2179.561.6000111Y21 I26 K31 A32 I33 M44Y21-L29 HydrophobicContact CE2-CD1 3.81Å; I26-L29 WeakPolarHBondContact O-CB 3.38Å; I26-L29 PolarHBondContact O-N 3.29Å; I26-L29 VanDerWaalsContact O-N 3.17Å; L29-K31 VanDerWaalsContact C-N 3.34Å; L29-K31 PolarHBondContact O-N 3.45Å; L29-A32 WeakPolarHBondContact O-CB 2.98Å; L29-A32 PolarHBondContact O-N 3.22Å; L29-I33 HydrophobicContact CD1-CD1 4.34Å; L29-I33 HydrophobicContact CD1-CG1 4.48Å; L29-I33 HydrophobicContact CG-CD1 3.94Å; L29-I33 WeakPolarHBondContact O-CD1 3.43Å; L29-I33 VanDerWaalsContact O-CG1 3.23Å; L29-I33 WeakPolarHBondContact O-CG1 3.41Å; L29-I33 PolarHBondContact O-N 2.89Å; L29-M44 HydrophobicContact CD1-CE 4.24Å
30D45.5Very low40.1Very low62 Ų6275.1 Ų75.133%0.33241%0.406SS..Hα-helixtrans-62.2-39.2176.4-88.5-11.2000112.1I26 I33 A34I26-D30 PolarHBondContact O-N 2.85Å; D30-I33 PolarHBondContact O-N 3.49Å; D30-A34 WeakPolarHBondContact O-CB 3.16Å; D30-A34 PolarHBondContact O-N 2.93Å
31K45.1Very low40.3Very low150 Ų15076.6 Ų76.665%0.65242%0.421SS*.Hα-helixtrans-63.4-42.2172.3-79.5178.2-179.5176.10112.6D27 I28 L29 I33 A34 T35D27-K31 WeakPolarHBondContact O-CG 3.33Å; D27-K31 PolarHBondContact O-N 3.03Å; I28-K31 PolarHBondContact O-N 3.48Å; L29-K31 VanDerWaalsContact C-N 3.34Å; L29-K31 PolarHBondContact O-N 3.45Å; K31-I33 VanDerWaalsContact C-N 3.32Å; K31-A34 PolarHBondContact O-N 2.04Å; K31-T35 WeakPolarHBondContact O-CB 3.03Å; K31-T35 PolarHBondContact O-N 3.32Å; K31-T35 PolarHBondContact O-OG1 3.32Å
32A42.7Very low40.4Very low9 Ų975.7 Ų75.77%0.07442%0.423CS..Hα-helixtrans-61.9-42.7176.200000111.3I28 L29 C36 M90I28-A32 PolarHBondContact O-N 3.49Å; L29-A32 WeakPolarHBondContact O-CB 2.98Å; L29-A32 PolarHBondContact O-N 3.22Å; A32-C36 PolarHBondContact O-N 2.99Å; A32-C36 PolarHBondContact O-SG 3.47Å; A32-M90 HydrophobicContact CB-CE 3.69Å; A32-M90 HydrophobicContact CB-SD 4.17Å
33I45.7Very low40.4Very low21 Ų2179.6 Ų79.611%0.10843%0.432CS..Hα-helixtrans-60.3-54.1176.2-69161.9000110.4L29 D30 K31 T35 C36 D37 M44L29-I33 HydrophobicContact CD1-CD1 4.34Å; L29-I33 HydrophobicContact CD1-CG1 4.48Å; L29-I33 HydrophobicContact CG-CD1 3.94Å; L29-I33 WeakPolarHBondContact O-CD1 3.43Å; L29-I33 VanDerWaalsContact O-CG1 3.23Å; L29-I33 WeakPolarHBondContact O-CG1 3.41Å; L29-I33 PolarHBondContact O-N 2.89Å; D30-I33 PolarHBondContact O-N 3.49Å; K31-I33 VanDerWaalsContact C-N 3.32Å; I33-T35 VanDerWaalsContact C-N 3.3Å; I33-T35 PolarHBondContact O-N 3.32Å; I33-C36 WeakPolarHBondContact O-CA 3.45Å; I33-C36 WeakPolarHBondContact O-CB 3.4Å; I33-C36 PolarHBondContact O-N 3.23Å; I33-D37 PolarHBondContact O-N 2.93Å; I33-M44 HydrophobicContact CB-CE 4.45Å; I33-M44 HydrophobicContact CD1-CE 4.12Å; I33-M44 HydrophobicContact CG1-CE 3.29Å; I33-M44 HydrophobicContact CG1-SD 4.14Å
34A44.9Very low40.3Very low50 Ų5076.4 Ų76.441%0.41341%0.412SS..Hα-helixtrans-58.1-43.9-17900000111.6D30 K31 C36 D37 D38D30-A34 WeakPolarHBondContact O-CB 3.16Å; D30-A34 PolarHBondContact O-N 2.93Å; K31-A34 PolarHBondContact O-N 2.04Å; A34-C36 PolarHBondContact O-N 2.03Å; A34-D37 PolarHBondContact O-N 3.47Å; A34-D38 PolarHBondContact O-N 2.82Å; A34-D38 VanDerWaalsContact O-N 3.13Å
35T43.7Very low40.2Very low56 Ų5671.4 Ų71.434%0.34439%0.385SS..Hα-helixtrans-60.8-33.6176.3-52.80000112W3 K31 I33W3-T35 HydrophobicContact CH2-CG2 4.47Å; K31-T35 WeakPolarHBondContact O-CB 3.03Å; K31-T35 PolarHBondContact O-N 3.32Å; K31-T35 PolarHBondContact O-OG1 3.32Å; I33-T35 VanDerWaalsContact C-N 3.3Å; I33-T35 PolarHBondContact O-N 3.32Å
36C42.8Very low40Very low19 Ų1969.3 Ų69.313%0.12838%0.375CS..Hα-helixtrans-77.7-38.8177.9-700000113.3A32 I33 A34 D38 L39 M44A32-C36 PolarHBondContact O-N 2.99Å; A32-C36 PolarHBondContact O-SG 3.47Å; I33-C36 WeakPolarHBondContact O-CA 3.45Å; I33-C36 WeakPolarHBondContact O-CB 3.4Å; I33-C36 PolarHBondContact O-N 3.23Å; A34-C36 PolarHBondContact O-N 2.03Å; C36-D38 VanDerWaalsContact C-N 3.32Å; C36-L39 WeakPolarHBondContact O-CB 3.43Å; C36-L39 PolarHBondContact O-N 3.41Å; C36-M44 HydrophobicContact CB-CB 4.37Å
37D45Very low39.7Very low86 Ų8667.1 Ų67.146%0.4637%0.366SS..Hα-helixtrans-69.6-29.4179.9-78.4-15.3000112I33 A34 L39I33-D37 PolarHBondContact O-N 2.93Å; A34-D37 PolarHBondContact O-N 3.47Å; D37-L39 PolarHBondContact O-N 2.79Å
38D44.5Very low39.3Very low141 Ų14166.7 Ų66.775%0.75436%0.355SS*.THydrogen-bonded Turntrans-70.3-12.8175-77.4-18.2000113.4A34 C36A34-D38 PolarHBondContact O-N 2.82Å; A34-D38 VanDerWaalsContact O-N 3.13Å; C36-D38 VanDerWaalsContact C-N 3.32Å
39L37.5Very low38.9Very low57 Ų5768.3 Ų68.330%0.29837%0.368SS..SBendtrans-80.6133.3176-65.8172.5000110.3W3 C36 D37 N41 G42W3-L39 HydrophobicContact CE3-CD2 4.36Å; W3-L39 HydrophobicContact CH2-CD2 4.35Å; W3-L39 HydrophobicContact CZ3-CD2 3.87Å; C36-L39 WeakPolarHBondContact O-CB 3.43Å; C36-L39 PolarHBondContact O-N 3.41Å; D37-L39 PolarHBondContact O-N 2.79Å; L39-N41 PolarHBondContact O-N 2.88Å; L39-G42 PolarHBondContact O-N 3.48Å
40P35.6Very low38.3Very low123 Ų12369.4 Ų69.480%0.79938%0.376SS*.THydrogen-bonded Turntrans-55.3-20-168.4-1614.7000116.2
41N36Very low37.6Very low132 Ų13273.2 Ų73.271%0.70640%0.396SS*.THydrogen-bonded Turntrans-134.221.5-179.5-62.3-54.2000112.8C12 L39C12-N41 HydrophobicContact CB-CB 4.28Å; L39-N41 PolarHBondContact O-N 2.88Å
42G33.7Very low36.8Very low19 Ų1973.1 Ų73.120%0.19640%0.4CS..  trans-76.6128.3-178.300000112.5L39L39-G42 PolarHBondContact O-N 3.48Å
43K31.8Very low36.3Very low152 Ų15281.9 Ų81.966%0.66144%0.439SS*.  trans-136.6115.6159.8-76.4-168.8179-177.10108.4
44M34.5Very low35.9Very low21 Ų2188.6 Ų88.610%0.10347%0.47CS..EExtended strand (participates in β ladder)trans-88.1129.4-179.7-160.8-177.482.400111.1A17 L29 I33 C36A17-M44 HydrophobicContact CB-CG 3.68Å; A17-M44 HydrophobicContact CB-SD 3.81Å; L29-M44 HydrophobicContact CD1-CE 4.24Å; I33-M44 HydrophobicContact CB-CE 4.45Å; I33-M44 HydrophobicContact CD1-CE 4.12Å; I33-M44 HydrophobicContact CG1-CE 3.29Å; I33-M44 HydrophobicContact CG1-SD 4.14Å; C36-M44 HydrophobicContact CB-CB 4.37Å
45L31.8Very low35.3Very low38 Ų3891 Ų9120%0.19947%0.471CS..EExtended strand (participates in β ladder)trans-92.3130.2167.2-65.3169000109.5T14 W15 L16 A17 M121T14-L45 HydrophobicContact CG2-CD1 4.15Å; W15-L45 WeakPolarHBondContact O-CB 3.04Å; W15-L45 WeakPolarHBondContact O-CG 3.33Å; W15-L45 PolarHBondContact O-N 2.78Å; W15-L45 VanDerWaalsContact O-N 3.08Å; L16-L45 HydrophobicContact CD1-CB 3.91Å; L16-L45 HydrophobicContact CD1-CD1 3.82Å; L16-L45 HydrophobicContact CG-CB 4.4Å; A17-L45 PolarHBondContact N-O 2.78Å; L45-M121 WeakPolarHBondContact CD2-O 3.02Å
46H34.6Very low34.9Very low46 Ų4697.4 Ų97.421%0.21350%0.497CS..PPolyproline II helixtrans-82.5138.3-175.6-64.3-107.5000111.7R160H46-R160 VanDerWaalsContact CD2-CZ 3.48Å; H46-R160 PolarHBondContact CD2-NH1 3.34Å; H46-R160 PolarHBondContact CD2-NH2 3.09Å; H46-R160 PolarHBondContact NE2-NH2 2.8Å
47P34.5Very low34.7Very low32 Ų32104.5 Ų104.521%0.20853%0.534CS..PPolyproline II helixtrans-86.1155170.334.9-31000111.8A17 V18A17-P47 WeakPolarHBondContact O-CD 3.31Å; A17-P47 VanDerWaalsContact O-CG 3.23Å; A17-P47 WeakPolarHBondContact O-CG 3.48Å; V18-P47 HydrophobicContact CB-CB 4.29Å; V18-P47 HydrophobicContact CG1-CB 4.06Å; V18-P47 HydrophobicContact CG2-CB 4.25Å
48R31.4Very low34.3Very low115 Ų115105.5 Ų105.543%0.43454%0.536SS..PPolyproline II helixtrans-61.9139.4170.3-66.9-173.4-169.4167.45110.3
49P31.5Very low33.7Very low69 Ų69105.8 Ų105.845%0.44854%0.543SS..PPolyproline II helixtrans-67.2135.3147.86.58.1000108.1
50V31.8Very low33.6Very low59 Ų59107.9 Ų107.936%0.35855%0.554SS.*PPolyproline II helixtrans-97.1131.5170.9177.40000107.8Y20 M52Y20-V50 HydrophobicContact CD1-CB 3.58Å; Y20-V50 HydrophobicContact CD1-CG1 4.5Å; Y20-V50 HydrophobicContact CD1-CG2 3.63Å; Y20-V50 HydrophobicContact CE1-CB 3.23Å; Y20-V50 HydrophobicContact CE1-CG1 3.84Å; Y20-V50 HydrophobicContact CE1-CG2 3Å; Y20-V50 VanDerWaalsContact CZ-CG2 3.49Å; V50-M52 PolarHBondContact O-N 3.25Å
51D29.4Very low33.5Very low142 Ų142110.4 Ų110.476%0.75955%0.553SS**PPolyproline II helixtrans-59.1128.8177.6-60.9-49.4000109.8E53D51-E53 PolarHBondContact O-N 2.03Å
52M29.2Very low33.5Very low149 Ų149107.1 Ų107.173%0.73454%0.538SS*.G310 helixtrans-61.5-10.3-168.2-75.2-173.6-88.300115.4V50 E54 K55V50-M52 PolarHBondContact O-N 3.25Å; M52-E54 PolarHBondContact O-N 3.4Å; M52-K55 PolarHBondContact O-N 3.33Å
53E33.3Very low33.5Very low192 Ų192113.5 Ų113.590%0.89756%0.562SS**G310 helixtrans-69.3-14.1-174.9-74.7-173.6160.500114.5D51D51-E53 PolarHBondContact O-N 2.03Å
54E35.9Very low33.7Very low162 Ų162107.1 Ų107.176%0.75754%0.54SS*.G310 helixtrans-95.46.8176.7-84.5-171.8166.900115.2M52M52-E54 PolarHBondContact O-N 3.4Å
55K32.5Very low34.1Very low102 Ų102106.4 Ų106.444%0.44354%0.537SS..  trans-130.130.5-177.2-75.3-153.3175.2-155.90117.3M52 N57 E58M52-K55 PolarHBondContact O-N 3.33Å; K55-N57 PolarHBondContact O-N 2.9Å; K55-E58 IonicContact NZ-OE2 3.33Å; K55-E58 PolarHBondContact NZ-OE2 3.06Å
56E36.4Very low34.5Very low190 Ų190105.9 Ų105.989%0.88854%0.538SS*.THydrogen-bonded Turntrans-66.5-2.7173.7-106.2-172.6172.800115.4
57N38.4Very low35Very low168 Ų168104.6 Ų104.690%0.89853%0.532SS*.THydrogen-bonded Turntrans-127.714.5-179.4-108.2-7.9000116.6K55K55-N57 PolarHBondContact O-N 2.9Å
58E36.1Very low35.6Very low106 Ų106103.4 Ų103.450%0.49552%0.524SS..  trans-123.7105.5167.4-74.5-174.717300109.4K55 N60K55-E58 IonicContact NZ-OE2 3.33Å; K55-E58 PolarHBondContact NZ-OE2 3.06Å; E58-N60 HydrophobicContact CB-CB 4.14Å; E58-N60 VanDerWaalsContact CD-ND2 3.32Å; E58-N60 PolarHBondContact O-N 3.25Å; E58-N60 PolarHBondContact OE2-ND2 3.08Å
59T32.6Very low36.4Very low148 Ų14899.2 Ų99.291%0.90851%0.512SS*.  trans-64.130.7163.142.30000112.7K61T59-K61 PolarHBondContact O-N 2.79Å
60N34.7Very low37.4Very low100 Ų10099.2 Ų99.254%0.53550%0.503SS..  trans-74.177.9172.4-76.5-21.7000108.2E58 V62E58-N60 HydrophobicContact CB-CB 4.14Å; E58-N60 VanDerWaalsContact CD-ND2 3.32Å; E58-N60 PolarHBondContact O-N 3.25Å; E58-N60 PolarHBondContact OE2-ND2 3.08Å; N60-V62 PolarHBondContact O-N 3.38Å; N60-V62 VanDerWaalsContact O-N 3.14Å
61K32.4Very low38.6Very low176 Ų176105.1 Ų105.177%0.76552%0.519SS*.  trans-49.4116.7162.4-151.4179.8-176-172.50106.8T59 E63T59-K61 PolarHBondContact O-N 2.79Å; K61-E63 HydrophobicContact CB-CG 4.49Å; K61-E63 PolarHBondContact O-N 2.73Å; K61-E63 VanDerWaalsContact O-N 3.15Å
62V36.1Very low39.9Very low64 Ų6498.3 Ų98.339%0.38848%0.482SS..  trans-75.6104.3-178.4-178.10000107.1N19 N60N19-V62 HydrophobicContact CB-CG1 3.81Å; N60-V62 PolarHBondContact O-N 3.38Å; N60-V62 VanDerWaalsContact O-N 3.14Å
63E34.2Very low41.1Very low152 Ų15292 Ų9271%0.7145%0.451SS*.  trans-92.61.4-168.6-72.4-171.2160.600115.6K61K61-E63 HydrophobicContact CB-CG 4.49Å; K61-E63 PolarHBondContact O-N 2.73Å; K61-E63 VanDerWaalsContact O-N 3.15Å
64G35.9Very low42.3Very low19 Ų1986.1 Ų86.120%0.19642%0.424CS..EExtended strand (participates in β ladder)trans-173.7166.3-175.900000114.8N19 M90N19-G64 WeakPolarHBondContact CB-O 2.98Å; N19-G64 PolarHBondContact ND2-O 2.88Å; G64-M90 WeakPolarHBondContact CA-O 3.31Å
65V42.5Very low43.6Very low6 Ų680.8 Ų80.84%0.03640%0.398CS..EExtended strand (participates in β ladder)trans-111.8121.3167.6-179.60000106.9A17 N19 Y21 T89 M90 M92A17-V65 HydrophobicContact CB-CG1 4.15Å; N19-V65 HydrophobicContact CB-CG2 4.46Å; Y21-V65 HydrophobicContact CE1-CG2 3.97Å; Y21-V65 WeakPolarHBondContact OH-CG2 3.28Å; V65-T89 CarbonylContact O-C 3.56Å; V65-T89 WeakPolarHBondContact O-CA 3.31Å; V65-M90 HydrophobicContact CG2-CE 4.37Å; V65-M90 PolarHBondContact N-O 2.96Å; V65-M90 PolarHBondContact O-N 3.23Å; V65-M92 HydrophobicContact CG2-CG 4.49Å; V65-M92 HydrophobicContact CG2-SD 3.62Å
66A40.4Very low45.1Very low27 Ų2776.2 Ų76.222%0.22338%0.379CS..EExtended strand (participates in β ladder)trans-93.9132.5175.100000109.5L68 I87 T89A66-L68 HydrophobicContact CB-CD2 4.37Å; A66-I87 HydrophobicContact CB-CD1 4.26Å; A66-T89 HydrophobicContact CB-CG2 4.17Å
67I46Very low46.2Very low19 Ų1968.8 Ų68.810%0.09735%0.347CS..EExtended strand (participates in β ladder)trans-107.7113.2175.4-38.8171.9000109W15 I88W15-I67 HydrophobicContact CD2-CG2 3.82Å; W15-I67 HydrophobicContact CE3-CB 4.19Å; W15-I67 HydrophobicContact CE3-CG2 2.95Å; W15-I67 HydrophobicContact CH2-CG2 4.08Å; W15-I67 HydrophobicContact CZ3-CB 3.88Å; W15-I67 HydrophobicContact CZ3-CD1 4.04Å; W15-I67 HydrophobicContact CZ3-CG2 3.09Å; I67-I88 WeakPolarHBondContact CA-O 3.27Å; I67-I88 HydrophobicContact CB-CB 4.48Å; I67-I88 VanDerWaalsContact CB-O 3.27Å; I67-I88 WeakPolarHBondContact CB-O 3.46Å; I67-I88 HydrophobicContact CD1-CB 4.4Å; I67-I88 HydrophobicContact CD1-CG2 4.19Å; I67-I88 WeakPolarHBondContact CG1-O 3.49Å; I67-I88 PolarHBondContact N-O 3.42Å; I67-I88 PolarHBondContact O-N 3.36Å
68L46.9Very low47.5Very low6 Ų667 Ų673%0.03133%0.331CS..  trans-100.9125.3-165.7-58.7170.1000110.6A66 L72 I87 M102 L107 Y111A66-L68 HydrophobicContact CB-CD2 4.37Å; L68-L72 HydrophobicContact CD2-CD2 4.06Å; L68-I87 HydrophobicContact CD2-CD1 4.33Å; L68-I87 HydrophobicContact CD2-CG2 3.93Å; L68-M102 HydrophobicContact CD2-CE 3.57Å; L68-M102 HydrophobicContact CD2-SD 4.39Å; L68-L107 HydrophobicContact CD1-CD2 3.69Å; L68-Y111 HydrophobicContact CD1-CE1 4.26Å; L68-Y111 HydrophobicContact CD1-CE2 4.34Å
69P48.4Very low49Very low27 Ų2770 Ų7018%0.17535%0.345CS..  trans-64.2141.6172.6-14.825.7000111R71 L72 T85 T86 I87P69-R71 VanDerWaalsContact C-N 3.26Å; P69-R71 PolarHBondContact O-N 3.37Å; P69-L72 VanDerWaalsContact O-CB 3.31Å; P69-L72 WeakPolarHBondContact O-CB 3.41Å; P69-L72 PolarHBondContact O-N 2.73Å; P69-T85 HydrophobicContact CB-CG2 4.3Å; P69-T85 HydrophobicContact CG-CG2 3.94Å; P69-T86 WeakPolarHBondContact CG-O 3.44Å; P69-I87 HydrophobicContact CG-CG2 4.3Å
70W52.2Low50.6Low69 Ų6967.2 Ų67.226%0.26132%0.322SS..Hα-helixtrans-52-42.8177.6-178.7-103.8000113.6L72 I73 E74 L119W70-L72 PolarHBondContact O-N 3.02Å; W70-L72 VanDerWaalsContact O-N 3.17Å; W70-I73 HydrophobicContact CE3-CD1 4.37Å; W70-I73 WeakPolarHBondContact O-CB 3.46Å; W70-I73 PolarHBondContact O-N 3.07Å; W70-E74 VanDerWaalsContact CD1-CD 3.45Å; W70-E74 HydrophobicContact CZ2-CG 4.36Å; W70-E74 PolarHBondContact NE1-OE1 3.27Å; W70-E74 PolarHBondContact O-N 2.91Å; W70-L119 HydrophobicContact CH2-CD1 3.67Å; W70-L119 HydrophobicContact CH2-CD2 3.55Å; W70-L119 HydrophobicContact CH2-CG 4.21Å; W70-L119 HydrophobicContact CZ3-CD1 4.32Å; W70-L119 HydrophobicContact CZ3-CD2 3.45Å; W70-L119 VanDerWaalsContact CZ3-CD2 3.45Å
71R56.1Low52.3Low183 Ų18370 Ų7069%0.69133%0.332SS*.Hα-helixtrans-57.5-30.8178-75.3-174.8175.1170.5-0.3113.4P69 K75P69-R71 VanDerWaalsContact C-N 3.26Å; P69-R71 PolarHBondContact O-N 3.37Å; R71-K75 VanDerWaalsContact O-CG 3.3Å; R71-K75 WeakPolarHBondContact O-CG 3.2Å; R71-K75 PolarHBondContact O-N 3.39Å
72L56.9Low53.8Low0 Ų066 Ų660%033%0.326CS..Hα-helixtrans-71.1-40.6177.6-179.261000110.7L68 P69 W70 K75 A76 T85 I87 M102 P104 L107L68-L72 HydrophobicContact CD2-CD2 4.06Å; P69-L72 VanDerWaalsContact O-CB 3.31Å; P69-L72 WeakPolarHBondContact O-CB 3.41Å; P69-L72 PolarHBondContact O-N 2.73Å; W70-L72 PolarHBondContact O-N 3.02Å; W70-L72 VanDerWaalsContact O-N 3.17Å; L72-K75 PolarHBondContact O-N 3.38Å; L72-A76 WeakPolarHBondContact O-CB 3.08Å; L72-A76 PolarHBondContact O-N 3.36Å; L72-T85 HydrophobicContact CB-CG2 4.14Å; L72-I87 HydrophobicContact CD2-CG2 3.48Å; L72-I87 VanDerWaalsContact CD2-CG2 3.48Å; L72-M102 HydrophobicContact CD2-CB 4.27Å; L72-M102 HydrophobicContact CD2-CE 3.94Å; L72-P104 HydrophobicContact CD1-CB 4.38Å; L72-P104 HydrophobicContact CD1-CG 3.94Å; L72-L107 HydrophobicContact CD1-CD1 4.03Å; L72-L107 HydrophobicContact CD2-CD1 4.12Å; L72-L107 HydrophobicContact CG-CD1 3.63Å
73I55.2Low55.2Low15 Ų1566.2 Ų66.28%0.07733%0.327CS..Hα-helixtrans-65.1-44.3175.4-57.4174000110.3W70 K75 A76 V77 L107W70-I73 HydrophobicContact CE3-CD1 4.37Å; W70-I73 WeakPolarHBondContact O-CB 3.46Å; W70-I73 PolarHBondContact O-N 3.07Å; I73-K75 VanDerWaalsContact C-N 3.31Å; I73-K75 PolarHBondContact O-N 2.78Å; I73-A76 WeakPolarHBondContact O-CB 3.49Å; I73-A76 PolarHBondContact O-N 2.87Å; I73-A76 VanDerWaalsContact O-N 3.1Å; I73-V77 HydrophobicContact CG2-CG2 4.15Å; I73-V77 WeakPolarHBondContact O-CG2 3.27Å; I73-V77 PolarHBondContact O-N 3.14Å; I73-L107 HydrophobicContact CG1-CD2 4.46Å
74E59.2Low56.9Low70 Ų7064.7 Ų64.733%0.32732%0.324SS..Hα-helixtrans-57.2-45177.2-71.8-175.9146.500112.2W70 A76 V77 K78W70-E74 VanDerWaalsContact CD1-CD 3.45Å; W70-E74 HydrophobicContact CZ2-CG 4.36Å; W70-E74 PolarHBondContact NE1-OE1 3.27Å; W70-E74 PolarHBondContact O-N 2.91Å; E74-A76 VanDerWaalsContact C-N 3.33Å; E74-V77 PolarHBondContact O-N 2.04Å; E74-K78 WeakPolarHBondContact O-CB 2.99Å; E74-K78 VanDerWaalsContact O-CG 3.31Å; E74-K78 WeakPolarHBondContact O-CG 3.4Å; E74-K78 PolarHBondContact O-N 3.4Å
75K63.4Low58.1Low50 Ų5064.9 Ų64.922%0.21732%0.321CS..Hα-helixtrans-62.5-41.8175.6-71.9174.3-178.9-179.30111.5R71 L72 I73 K78 Q79 E80 T83 P104R71-K75 VanDerWaalsContact O-CG 3.3Å; R71-K75 WeakPolarHBondContact O-CG 3.2Å; R71-K75 PolarHBondContact O-N 3.39Å; L72-K75 PolarHBondContact O-N 3.38Å; I73-K75 VanDerWaalsContact C-N 3.31Å; I73-K75 PolarHBondContact O-N 2.78Å; K75-K78 CarbonylContact O-C 3.5Å; K75-K78 PolarHBondContact O-N 3.14Å; K75-Q79 PolarHBondContact O-N 2.64Å; K75-E80 HydrophobicContact CB-CB 4.23Å; K75-E80 HydrophobicContact CG-CB 4.38Å; K75-E80 PolarHBondContact O-N 3.46Å; K75-T83 WeakPolarHBondContact CD-OG1 3.33Å; K75-T83 WeakPolarHBondContact CE-OG1 3.48Å; K75-T83 PolarHBondContact NZ-OG1 2.86Å; K75-P104 HydrophobicContact CB-CB 4.21Å; K75-P104 HydrophobicContact CB-CG 3.66Å; K75-P104 HydrophobicContact CD-CG 4.42Å
76A62.7Low58.9Low5 Ų568.6 Ų68.64%0.04134%0.344CS..Hα-helixtrans-64.2-43.7179.300000112.6L72 I73 E74 Q79 P104 L107L72-A76 WeakPolarHBondContact O-CB 3.08Å; L72-A76 PolarHBondContact O-N 3.36Å; I73-A76 WeakPolarHBondContact O-CB 3.49Å; I73-A76 PolarHBondContact O-N 2.87Å; I73-A76 VanDerWaalsContact O-N 3.1Å; E74-A76 VanDerWaalsContact C-N 3.33Å; A76-Q79 PolarHBondContact O-N 2.86Å; A76-P104 HydrophobicContact CB-CB 3.96Å; A76-L107 HydrophobicContact CB-CD1 3.56Å
77V58.9Low59.6Low35 Ų3567.6 Ų67.621%0.21233%0.334CS..Hα-helixtrans-65.8-39.9177.4171.90000111I73 E74 Q79 V114I73-V77 HydrophobicContact CG2-CG2 4.15Å; I73-V77 WeakPolarHBondContact O-CG2 3.27Å; I73-V77 PolarHBondContact O-N 3.14Å; E74-V77 PolarHBondContact O-N 2.04Å; V77-Q79 PolarHBondContact O-N 2.83Å; V77-V114 HydrophobicContact CG2-CB 4.3Å; V77-V114 VanDerWaalsContact CG2-O 3.24Å; V77-V114 WeakPolarHBondContact CG2-O 3.43Å
78K67.4Low59.8Low130 Ų13069.1 Ų69.157%0.56534%0.342SS*.THydrogen-bonded Turntrans-78.4-1.2176.3-67.2179.3-175.1175.10113.8E74 K75 E80E74-K78 WeakPolarHBondContact O-CB 2.99Å; E74-K78 VanDerWaalsContact O-CG 3.31Å; E74-K78 WeakPolarHBondContact O-CG 3.4Å; E74-K78 PolarHBondContact O-N 3.4Å; K75-K78 CarbonylContact O-C 3.5Å; K75-K78 PolarHBondContact O-N 3.14Å; K78-E80 HydrophobicContact CB-CG 3.8Å; K78-E80 WeakPolarHBondContact CD-OE1 3.02Å; K78-E80 IonicContact NZ-OE1 3.42Å; K78-E80 PolarHBondContact O-N 2.02Å
79Q66.3Low59.8Low170 Ų17070.2 Ų70.279%0.79435%0.349SS*.THydrogen-bonded Turntrans51.334.6-173.1-57-178.9-11.100112.1K75 A76 V77 E81K75-Q79 PolarHBondContact O-N 2.64Å; A76-Q79 PolarHBondContact O-N 2.86Å; V77-Q79 PolarHBondContact O-N 2.83Å; Q79-E81 PolarHBondContact O-N 3.21Å
80E66.5Low59.6Low89 Ų8969.6 Ų69.642%0.41634%0.344SS..  trans-76.6119.8175-73.1176.1-165.600108.8K75 K78K75-E80 HydrophobicContact CB-CB 4.23Å; K75-E80 HydrophobicContact CG-CB 4.38Å; K75-E80 PolarHBondContact O-N 3.46Å; K78-E80 HydrophobicContact CB-CG 3.8Å; K78-E80 WeakPolarHBondContact CD-OE1 3.02Å; K78-E80 IonicContact NZ-OE1 3.42Å; K78-E80 PolarHBondContact O-N 2.02Å
81E70.9Confident59.2Low158 Ų15869.1 Ų69.174%0.73835%0.347SS*.  trans-80.8149.6-172-66.3-172.9161.500114Q79 T83 E105Q79-E81 PolarHBondContact O-N 3.21Å; E81-T83 PolarHBondContact O-N 3.21Å; E81-E105 WeakPolarHBondContact CA-OE1 3.07Å
82S63.2Low58.4Low92 Ų9261.3 Ų61.364%0.64332%0.318SS*.  trans77.46.6144.8-58.60000121.2E105S82-E105 PolarHBondContact N-OE1 3.23Å; S82-E105 VanDerWaalsContact N-OE1 3.09Å
83T66.3Low57.8Low68 Ų6868.1 Ų68.142%0.41736%0.36SS..  trans-96.1118.6168.860.60000111.8K75 E81 T85K75-T83 WeakPolarHBondContact CD-OG1 3.33Å; K75-T83 WeakPolarHBondContact CE-OG1 3.48Å; K75-T83 PolarHBondContact NZ-OG1 2.86Å; E81-T83 PolarHBondContact O-N 3.21Å; T83-T85 PolarHBondContact O-N 2.95Å
84L70Confident57.3Low121 Ų12170.5 Ų70.563%0.63438%0.378SS*.  trans-58.1129.2168.8-74.5168.1000109.8A101 T103L84-A101 HydrophobicContact CB-CB 4.29Å; L84-A101 HydrophobicContact CD1-CB 4.46Å; L84-A101 HydrophobicContact CD2-CB 3.91Å; L84-A101 HydrophobicContact CG-CB 4.45Å; L84-T103 HydrophobicContact CD2-CG2 3.53Å; L84-T103 HydrophobicContact CG-CG2 4.22Å
85T60.5Low56.6Low22 Ų2268.8 Ų68.814%0.13538%0.38CS..EExtended strand (participates in β ladder)trans-116.2129.7171.9-49.20000108.4P69 L72 T83 I87 M102P69-T85 HydrophobicContact CB-CG2 4.3Å; P69-T85 HydrophobicContact CG-CG2 3.94Å; L72-T85 HydrophobicContact CB-CG2 4.14Å; T83-T85 PolarHBondContact O-N 2.95Å; T85-I87 PolarHBondContact O-N 2.93Å; T85-M102 PolarHBondContact N-O 3.12Å; T85-M102 PolarHBondContact O-N 3.33Å
86T58.6Low55.7Low85 Ų8570.8 Ų70.852%0.52139%0.392SS..EExtended strand (participates in β ladder)trans-65.8122.6173.7-49.40000109.5P69 E99 T100P69-T86 WeakPolarHBondContact CG-O 3.44Å; T86-E99 HydrophobicContact CG2-CB 3.97Å; T86-E99 HydrophobicContact CG2-CG 4.22Å; T86-T100 CarbonylContact C-O 3.56Å
87I56.1Low55Low5 Ų574 Ų743%0.02641%0.409CS..EExtended strand (participates in β ladder)trans-111.3155173.563.9158.5000108.2A66 L68 P69 L72 T85 T89 E99 T100 M102A66-I87 HydrophobicContact CB-CD1 4.26Å; L68-I87 HydrophobicContact CD2-CD1 4.33Å; L68-I87 HydrophobicContact CD2-CG2 3.93Å; P69-I87 HydrophobicContact CG-CG2 4.3Å; L72-I87 HydrophobicContact CD2-CG2 3.48Å; L72-I87 VanDerWaalsContact CD2-CG2 3.48Å; T85-I87 PolarHBondContact O-N 2.93Å; I87-T89 HydrophobicContact CD1-CG2 3.64Å; I87-T89 HydrophobicContact CG1-CG2 4.19Å; I87-E99 WeakPolarHBondContact O-CA 3.41Å; I87-T100 WeakPolarHBondContact CG1-O 3.2Å; I87-T100 PolarHBondContact N-O 2.78Å; I87-T100 PolarHBondContact O-N 3.01Å; I87-T100 VanDerWaalsContact O-O 3.08Å; I87-M102 HydrophobicContact CD1-CB 3.91Å; I87-M102 HydrophobicContact CD1-SD 3.92Å; I87-M102 HydrophobicContact CG1-CB 4.08Å; I87-M102 HydrophobicContact CG2-CB 3.95Å
88I50.3Low54.5Low51 Ų5177 Ų7726%0.26242%0.42SS..EExtended strand (participates in β ladder)trans-102.6127.1171.9-59.7178.8000107.4W15 I67 L97 H98W15-I88 HydrophobicContact CH2-CD1 4.29Å; I67-I88 WeakPolarHBondContact CA-O 3.27Å; I67-I88 HydrophobicContact CB-CB 4.48Å; I67-I88 VanDerWaalsContact CB-O 3.27Å; I67-I88 WeakPolarHBondContact CB-O 3.46Å; I67-I88 HydrophobicContact CD1-CB 4.4Å; I67-I88 HydrophobicContact CD1-CG2 4.19Å; I67-I88 WeakPolarHBondContact CG1-O 3.49Å; I67-I88 PolarHBondContact N-O 3.42Å; I67-I88 PolarHBondContact O-N 3.36Å; I88-L97 HydrophobicContact CG2-CB 4.15Å; I88-L97 HydrophobicContact CG2-CD2 4.05Å; I88-H98 CarbonylContact C-O 3.59Å; I88-H98 WeakPolarHBondContact CA-O 3.49Å
89T47.5Very low54.3Low29 Ų2977.8 Ų77.818%0.17843%0.426CS..EExtended strand (participates in β ladder)trans-115.7139.9177.851.40000109.6V65 A66 I87 L97 H98 T100V65-T89 CarbonylContact O-C 3.56Å; V65-T89 WeakPolarHBondContact O-CA 3.31Å; A66-T89 HydrophobicContact CB-CG2 4.17Å; I87-T89 HydrophobicContact CD1-CG2 3.64Å; I87-T89 HydrophobicContact CG1-CG2 4.19Å; T89-L97 CarbonylContact O-C 3.58Å; T89-L97 WeakPolarHBondContact O-CA 3.31Å; T89-H98 PolarHBondContact N-O 3.18Å; T89-H98 PolarHBondContact O-N 3.01Å; T89-H98 PolarHBondContact OG1-O 2.87Å; T89-H98 VanDerWaalsContact OG1-O 3.1Å; T89-T100 PolarHBondContact OG1-OG1 2.82Å; T89-T100 VanDerWaalsContact OG1-OG1 3.09Å
90M42.7Very low53.8Low14 Ų1472.6 Ų72.67%0.06941%0.406CS..EExtended strand (participates in β ladder)trans-105.7128.9175-167.8178.566.600110.3I28 A32 G64 V65 M92 G95 D96 L97I28-M90 HydrophobicContact CG2-CE 4.39Å; A32-M90 HydrophobicContact CB-CE 3.69Å; A32-M90 HydrophobicContact CB-SD 4.17Å; G64-M90 WeakPolarHBondContact CA-O 3.31Å; V65-M90 HydrophobicContact CG2-CE 4.37Å; V65-M90 PolarHBondContact N-O 2.96Å; V65-M90 PolarHBondContact O-N 3.23Å; M90-M92 HydrophobicContact CE-SD 4.03Å; M90-M92 PolarHBondContact O-N 2.03Å; M90-G95 WeakPolarHBondContact CG-O 3.41Å; M90-D96 WeakPolarHBondContact CA-O 3.35Å; M90-L97 HydrophobicContact CB-CD2 3.74Å; M90-L97 HydrophobicContact CG-CD2 3.81Å; M90-L97 HydrophobicContact SD-CD2 4.33Å
91N44.7Very low54Low60 Ų6071.1 Ų71.132%0.32141%0.409SS..EExtended strand (participates in β ladder)trans-70.4122.1168.8-176.5-50000108.5T93 S94 G95 D96N91-T93 PolarHBondContact OD1-N 2.83Å; N91-S94 WeakPolarHBondContact CB-OG 3.12Å; N91-S94 VanDerWaalsContact CG-OG 3.31Å; N91-S94 PolarHBondContact OD1-N 2.86Å; N91-S94 VanDerWaalsContact OD1-N 3.08Å; N91-S94 PolarHBondContact OD1-OG 3.25Å; N91-G95 CarbonylContact O-C 3.59Å; N91-G95 WeakPolarHBondContact O-CA 3.4Å; N91-G95 PolarHBondContact O-N 2.93Å; N91-D96 HydrophobicContact CB-CB 4.41Å; N91-D96 PolarHBondContact N-O 3.04Å
92M39.5Very low53.7Low19 Ų1965.1 Ų65.19%0.09438%0.381CS..THydrogen-bonded Turntrans-70.6-32.7-176.3-78.1-63.5-63.300113.4Y21 I28 V65 M90Y21-M92 HydrophobicContact CD1-CE 3.55Å; Y21-M92 HydrophobicContact CD1-SD 4.48Å; Y21-M92 HydrophobicContact CE1-CE 3.29Å; Y21-M92 HydrophobicContact CE1-SD 3.68Å; I28-M92 HydrophobicContact CB-CE 3.91Å; I28-M92 HydrophobicContact CD1-CE 4.04Å; I28-M92 HydrophobicContact CG2-CE 3.41Å; I28-M92 VanDerWaalsContact CG2-CE 3.41Å; I28-M92 HydrophobicContact CG2-SD 3.76Å; V65-M92 HydrophobicContact CG2-CG 4.49Å; V65-M92 HydrophobicContact CG2-SD 3.62Å; M90-M92 HydrophobicContact CE-SD 4.03Å; M90-M92 PolarHBondContact O-N 2.03Å
93T42.9Very low54Low142 Ų14262.6 Ų62.687%0.87136%0.362SS*.THydrogen-bonded Turntrans-76.9-38.9-176.9-49.70000111.9N91N91-T93 PolarHBondContact OD1-N 2.83Å
94S45.8Very low54Low65 Ų6559.5 Ų59.546%0.45534%0.343SS..THydrogen-bonded Turntrans-100.6-21.7-179.464.80000114.4N91 D96N91-S94 WeakPolarHBondContact CB-OG 3.12Å; N91-S94 VanDerWaalsContact CG-OG 3.31Å; N91-S94 PolarHBondContact OD1-N 2.86Å; N91-S94 VanDerWaalsContact OD1-N 3.08Å; N91-S94 PolarHBondContact OD1-OG 3.25Å; S94-D96 WeakPolarHBondContact CB-OD2 3.33Å; S94-D96 WeakPolarHBondContact OG-CB 3Å; S94-D96 PolarHBondContact OG-N 3.3Å; S94-D96 PolarHBondContact OG-OD2 3.34Å
95G44.3Very low53.9Low35 Ų3557.3 Ų57.336%0.36133%0.329SS..  trans79.53.1-169.100000113.7M90 N91M90-G95 WeakPolarHBondContact CG-O 3.41Å; N91-G95 CarbonylContact O-C 3.59Å; N91-G95 WeakPolarHBondContact O-CA 3.4Å; N91-G95 PolarHBondContact O-N 2.93Å
96D45.7Very low54.1Low91 Ų9159.1 Ų59.149%0.48735%0.346SS..  trans-73.2130.7-173.7-65.1-40.4000112.2M90 N91 S94 H98M90-D96 WeakPolarHBondContact CA-O 3.35Å; N91-D96 HydrophobicContact CB-CB 4.41Å; N91-D96 PolarHBondContact N-O 3.04Å; S94-D96 WeakPolarHBondContact CB-OD2 3.33Å; S94-D96 WeakPolarHBondContact OG-CB 3Å; S94-D96 PolarHBondContact OG-N 3.3Å; S94-D96 PolarHBondContact OG-OD2 3.34Å; D96-H98 PolarHBondContact O-ND1 3.4Å; D96-H98 VanDerWaalsContact O-ND1 3.09Å
97L46Very low54.1Low73 Ų7355.2 Ų55.238%0.38232%0.322SS..EExtended strand (participates in β ladder)trans-81.6137.1173.3-60.4176000110.7W3 I88 T89 M90W3-L97 HydrophobicContact CH2-CD1 3.97Å; I88-L97 HydrophobicContact CG2-CB 4.15Å; I88-L97 HydrophobicContact CG2-CD2 4.05Å; T89-L97 CarbonylContact O-C 3.58Å; T89-L97 WeakPolarHBondContact O-CA 3.31Å; M90-L97 HydrophobicContact CB-CD2 3.74Å; M90-L97 HydrophobicContact CG-CD2 3.81Å; M90-L97 HydrophobicContact SD-CD2 4.33Å
98H49.8Very low53.9Low98 Ų9858.5 Ų58.545%0.45434%0.344SS..EExtended strand (participates in β ladder)trans-133.1138.3-179.4-68.479.4000109.6I88 T89 D96I88-H98 CarbonylContact C-O 3.59Å; I88-H98 WeakPolarHBondContact CA-O 3.49Å; T89-H98 PolarHBondContact N-O 3.18Å; T89-H98 PolarHBondContact O-N 3.01Å; T89-H98 PolarHBondContact OG1-O 2.87Å; T89-H98 VanDerWaalsContact OG1-O 3.1Å; D96-H98 PolarHBondContact O-ND1 3.4Å; D96-H98 VanDerWaalsContact O-ND1 3.09Å
99E63Low53.9Low146 Ų14660.4 Ų60.468%0.68236%0.362SS*.EExtended strand (participates in β ladder)trans-83.3124.7168.5-68.9-175.3-178.700109.6T86 I87T86-E99 HydrophobicContact CG2-CB 3.97Å; T86-E99 HydrophobicContact CG2-CG 4.22Å; I87-E99 WeakPolarHBondContact O-CA 3.41Å
100T56.2Low53.7Low62 Ų6262.8 Ų62.838%0.3838%0.384SS..EExtended strand (participates in β ladder)trans-125.3145177.3-58.60000108.7T86 I87 T89T86-T100 CarbonylContact C-O 3.56Å; I87-T100 WeakPolarHBondContact CG1-O 3.2Å; I87-T100 PolarHBondContact N-O 2.78Å; I87-T100 PolarHBondContact O-N 3.01Å; I87-T100 VanDerWaalsContact O-O 3.08Å; T89-T100 PolarHBondContact OG1-OG1 2.82Å; T89-T100 VanDerWaalsContact OG1-OG1 3.09Å
101A69.4Low53.8Low57 Ų5763.2 Ų63.247%0.47139%0.385SS..EExtended strand (participates in β ladder)trans-93.7131.8173.900000110.1L84L84-A101 HydrophobicContact CB-CB 4.29Å; L84-A101 HydrophobicContact CD1-CB 4.46Å; L84-A101 HydrophobicContact CD2-CB 3.91Å; L84-A101 HydrophobicContact CG-CB 4.45Å
102M64.5Low53.9Low32 Ų3264 Ų6416%0.15839%0.386CS..EExtended strand (participates in β ladder)trans-132.8144.4179.4-160.9168.696.500111.5L68 L72 T85 I87 A106 L107L68-M102 HydrophobicContact CD2-CE 3.57Å; L68-M102 HydrophobicContact CD2-SD 4.39Å; L72-M102 HydrophobicContact CD2-CB 4.27Å; L72-M102 HydrophobicContact CD2-CE 3.94Å; T85-M102 PolarHBondContact N-O 3.12Å; T85-M102 PolarHBondContact O-N 3.33Å; I87-M102 HydrophobicContact CD1-CB 3.91Å; I87-M102 HydrophobicContact CD1-SD 3.92Å; I87-M102 HydrophobicContact CG1-CB 4.08Å; I87-M102 HydrophobicContact CG2-CB 3.95Å; M102-A106 HydrophobicContact CG-CB 3.79Å; M102-A106 HydrophobicContact SD-CB 4.36Å; M102-L107 HydrophobicContact CE-CB 4.32Å; M102-L107 HydrophobicContact CE-CD1 4.14Å; M102-L107 HydrophobicContact CE-CD2 4.31Å; M102-L107 HydrophobicContact CE-CG 3.54Å
103T70.3Confident54.1Low39 Ų3968.4 Ų68.424%0.23941%0.41CS..  trans-95.6157174.573.60000111.1L84 E105 A106L84-T103 HydrophobicContact CD2-CG2 3.53Å; L84-T103 HydrophobicContact CG-CG2 4.22Å; T103-E105 WeakPolarHBondContact CB-OE2 3.22Å; T103-E105 PolarHBondContact O-N 2.91Å; T103-E105 PolarHBondContact OG1-OE2 3.2Å; T103-A106 PolarHBondContact O-N 2.99Å
104P66.1Low54.2Low3 Ų363.7 Ų63.72%0.01938%0.381CS..G310 helixtrans-57.6-30.8178.4-23.833.6000114L72 K75 A76 A106 L107L72-P104 HydrophobicContact CD1-CB 4.38Å; L72-P104 HydrophobicContact CD1-CG 3.94Å; K75-P104 HydrophobicContact CB-CB 4.21Å; K75-P104 HydrophobicContact CB-CG 3.66Å; K75-P104 HydrophobicContact CD-CG 4.42Å; A76-P104 HydrophobicContact CB-CB 3.96Å; P104-A106 VanDerWaalsContact C-N 3.32Å; P104-A106 PolarHBondContact O-N 2.92Å; P104-L107 WeakPolarHBondContact O-CB 3.23Å; P104-L107 WeakPolarHBondContact O-CD1 3.48Å; P104-L107 PolarHBondContact O-N 2.79Å
105E68.2Low54Low75 Ų7565.3 Ų65.335%0.3539%0.385SS..G310 helixtrans-73.6-27.1-178.1-50.278.6-169.600112.1E81 S82 T103 L107 K112E81-E105 WeakPolarHBondContact CA-OE1 3.07Å; S82-E105 PolarHBondContact N-OE1 3.23Å; S82-E105 VanDerWaalsContact N-OE1 3.09Å; T103-E105 WeakPolarHBondContact CB-OE2 3.22Å; T103-E105 PolarHBondContact O-N 2.91Å; T103-E105 PolarHBondContact OG1-OE2 3.2Å; E105-L107 VanDerWaalsContact C-N 3.26Å; E105-L107 PolarHBondContact O-N 3.17Å; E105-K112 WeakPolarHBondContact O-CE 3.05Å; E105-K112 PolarHBondContact O-NZ 2.93Å
106A65.5Low53.6Low60 Ų6067 Ų6750%0.49639%0.391SS..G310 helixtrans-76.4-10.5176.300000113.1M102 T103 P104M102-A106 HydrophobicContact CG-CB 3.79Å; M102-A106 HydrophobicContact SD-CB 4.36Å; T103-A106 PolarHBondContact O-N 2.99Å; P104-A106 VanDerWaalsContact C-N 3.32Å; P104-A106 PolarHBondContact O-N 2.92Å
107L58.5Low52.9Low3 Ų372.4 Ų72.42%0.01641%0.41CS..SBendtrans-61.5136.3171.1-84.1118.6000110.6L68 L72 I73 A76 M102 P104 E105 Y111 K112L68-L107 HydrophobicContact CD1-CD2 3.69Å; L72-L107 HydrophobicContact CD1-CD1 4.03Å; L72-L107 HydrophobicContact CD2-CD1 4.12Å; L72-L107 HydrophobicContact CG-CD1 3.63Å; I73-L107 HydrophobicContact CG1-CD2 4.46Å; A76-L107 HydrophobicContact CB-CD1 3.56Å; M102-L107 HydrophobicContact CE-CB 4.32Å; M102-L107 HydrophobicContact CE-CD1 4.14Å; M102-L107 HydrophobicContact CE-CD2 4.31Å; M102-L107 HydrophobicContact CE-CG 3.54Å; P104-L107 WeakPolarHBondContact O-CB 3.23Å; P104-L107 WeakPolarHBondContact O-CD1 3.48Å; P104-L107 PolarHBondContact O-N 2.79Å; E105-L107 VanDerWaalsContact C-N 3.26Å; E105-L107 PolarHBondContact O-N 3.17Å; L107-Y111 HydrophobicContact CB-CD2 4.19Å; L107-Y111 VanDerWaalsContact CD2-CB 3.43Å; L107-Y111 HydrophobicContact CD2-CD1 4.3Å; L107-Y111 HydrophobicContact CD2-CD2 3.68Å; L107-Y111 HydrophobicContact CD2-CG 3.54Å; L107-Y111 HydrophobicContact CG-CD2 4.5Å; L107-K112 VanDerWaalsContact O-CE 3.26Å; L107-K112 WeakPolarHBondContact O-CE 3.4Å
108P52.3Low52.2Low74 Ų7473.3 Ų73.348%0.48142%0.416SS..  trans-51.3147.1167.8-29.435.6000112.5A110 Y111P108-A110 PolarHBondContact O-N 2.77Å; P108-Y111 HydrophobicContact CB-CD2 3.73Å; P108-Y111 HydrophobicContact CB-CE2 3.64Å; P108-Y111 HydrophobicContact CG-CD2 3.99Å; P108-Y111 HydrophobicContact CG-CE2 3.62Å; P108-Y111 VanDerWaalsContact O-CD2 3.24Å; P108-Y111 WeakPolarHBondContact O-CD2 3.17Å; P108-Y111 PolarHBondContact O-N 2.92Å
109S49.9Very low51.3Low92 Ų9271.9 Ų71.964%0.64341%0.411SS*.Hα-helixtrans-54.3-30-174.9-44.10000113.5Y111 K112S109-Y111 PolarHBondContact O-N 3.28Å; S109-Y111 VanDerWaalsContact O-N 3.14Å; S109-K112 PolarHBondContact O-N 2.93Å
110A42.5Very low49.5Very low78 Ų7867.6 Ų67.665%0.64540%0.395SS*.Hα-helixtrans-55-28.8175.900000113.5P108P108-A110 PolarHBondContact O-N 2.77Å
111Y44.3Very low48.2Very low23 Ų2368.5 Ų68.59%0.0940%0.397CS..Hα-helixtrans-90.9-26.3-177.7-55.6-72.6000114.5L16 V18 L68 L107 P108 S109 N113 V114L16-Y111 HydrophobicContact CD2-CD1 4.27Å; L16-Y111 HydrophobicContact CD2-CE1 3.49Å; L16-Y111 VanDerWaalsContact CD2-CE1 3.49Å; V18-Y111 WeakPolarHBondContact CB-OH 3.03Å; V18-Y111 WeakPolarHBondContact CG1-OH 3.4Å; V18-Y111 HydrophobicContact CG2-CE1 4.14Å; V18-Y111 WeakPolarHBondContact CG2-OH 3.19Å; L68-Y111 HydrophobicContact CD1-CE1 4.26Å; L68-Y111 HydrophobicContact CD1-CE2 4.34Å; L107-Y111 HydrophobicContact CB-CD2 4.19Å; L107-Y111 VanDerWaalsContact CD2-CB 3.43Å; L107-Y111 HydrophobicContact CD2-CD1 4.3Å; L107-Y111 HydrophobicContact CD2-CD2 3.68Å; L107-Y111 HydrophobicContact CD2-CG 3.54Å; L107-Y111 HydrophobicContact CG-CD2 4.5Å; P108-Y111 HydrophobicContact CB-CD2 3.73Å; P108-Y111 HydrophobicContact CB-CE2 3.64Å; P108-Y111 HydrophobicContact CG-CD2 3.99Å; P108-Y111 HydrophobicContact CG-CE2 3.62Å; P108-Y111 VanDerWaalsContact O-CD2 3.24Å; P108-Y111 WeakPolarHBondContact O-CD2 3.17Å; P108-Y111 PolarHBondContact O-N 2.92Å; S109-Y111 PolarHBondContact O-N 3.28Å; S109-Y111 VanDerWaalsContact O-N 3.14Å; Y111-N113 PolarHBondContact O-N 3.3Å; Y111-V114 WeakPolarHBondContact O-CG2 3.47Å; Y111-V114 PolarHBondContact O-N 3.13Å
112K46.7Very low46.2Very low76 Ų7667.7 Ų67.733%0.3339%0.387SS..Hα-helixtrans-68-22-178.1-65.1179.5-178.8171.60112.2E105 L107 S109E105-K112 WeakPolarHBondContact O-CE 3.05Å; E105-K112 PolarHBondContact O-NZ 2.93Å; L107-K112 VanDerWaalsContact O-CE 3.26Å; L107-K112 WeakPolarHBondContact O-CE 3.4Å; S109-K112 PolarHBondContact O-N 2.93Å
113N45.2Very low44.3Very low113 Ų11368.2 Ų68.260%0.60439%0.394SS*.THydrogen-bonded Turntrans-102.812.6-175.7-63.9-23.5000113.9Y111 N115Y111-N113 PolarHBondContact O-N 3.3Å; N113-N115 PolarHBondContact O-N 3.07Å; N113-N115 VanDerWaalsContact O-N 3.12Å
114V43.9Very low42.4Very low43 Ų4370.1 Ų70.126%0.26140%0.399SS..  trans-76.7101.7-178.9-178.30000109.4V77 Y111 S116 L119V77-V114 HydrophobicContact CG2-CB 4.3Å; V77-V114 VanDerWaalsContact CG2-O 3.24Å; V77-V114 WeakPolarHBondContact CG2-O 3.43Å; Y111-V114 WeakPolarHBondContact O-CG2 3.47Å; Y111-V114 PolarHBondContact O-N 3.13Å; V114-S116 PolarHBondContact O-N 2.98Å; V114-S116 VanDerWaalsContact O-N 3.1Å; V114-L119 HydrophobicContact CG1-CD1 3.42Å; V114-L119 VanDerWaalsContact CG1-CD1 3.42Å; V114-L119 HydrophobicContact CG1-CG 4.2Å
115N41.2Very low40.5Very low99 Ų9972.4 Ų72.453%0.52941%0.41SS..  trans-62.3111.9175.6-93.3-30000110.6N113 K117 N118N113-N115 PolarHBondContact O-N 3.07Å; N113-N115 VanDerWaalsContact O-N 3.12Å; N115-K117 PolarHBondContact O-N 3.35Å; N115-N118 HydrophobicContact CB-CB 4.46Å; N115-N118 CarbonylContact O-C 3.47Å; N115-N118 PolarHBondContact O-N 3.3Å
116S36.3Very low38.7Very low71 Ų7172.5 Ų72.550%0.49741%0.414SS..THydrogen-bonded Turntrans-58.7-19.7-175.3-36.70000114.5V114V114-S116 PolarHBondContact O-N 2.98Å; V114-S116 VanDerWaalsContact O-N 3.1Å
117K32.2Very low37.2Very low203 Ų20378.5 Ų78.588%0.88343%0.428SS*.THydrogen-bonded Turntrans-84.6-17175.7-70.7-173.2178.2-179.60114N115N115-K117 PolarHBondContact O-N 3.35Å
118N30.8Very low36.3Very low93 Ų9384.5 Ų84.550%0.49746%0.461SS..  trans-120.245.3-178.8-75.6-7.9000110.9N115 P120N115-N118 HydrophobicContact CB-CB 4.46Å; N115-N118 CarbonylContact O-C 3.47Å; N115-N118 PolarHBondContact O-N 3.3Å; N118-P120 WeakPolarHBondContact O-CD 3.36Å
119L30Very low35.6Very low67 Ų6784.8 Ų84.835%0.35146%0.458SS..  trans-88.277.1150-85.888.8000109.8W70 V114 M121W70-L119 HydrophobicContact CH2-CD1 3.67Å; W70-L119 HydrophobicContact CH2-CD2 3.55Å; W70-L119 HydrophobicContact CH2-CG 4.21Å; W70-L119 HydrophobicContact CZ3-CD1 4.32Å; W70-L119 HydrophobicContact CZ3-CD2 3.45Å; W70-L119 VanDerWaalsContact CZ3-CD2 3.45Å; V114-L119 HydrophobicContact CG1-CD1 3.42Å; V114-L119 VanDerWaalsContact CG1-CD1 3.42Å; V114-L119 HydrophobicContact CG1-CG 4.2Å; L119-M121 PolarHBondContact O-N 3.29Å
120P25.8Very low34.8Very low56 Ų5685.6 Ų85.636%0.36446%0.459SS..  trans-67.4127.9146.3-6.324.9000105.2N118 C122 S123N118-P120 WeakPolarHBondContact O-CD 3.36Å; P120-C122 PolarHBondContact O-N 3.31Å; P120-S123 WeakPolarHBondContact CB-OG 3.05Å; P120-S123 WeakPolarHBondContact CG-OG 3.48Å; P120-S123 PolarHBondContact O-N 2.93Å
121M28.3Very low34.3Very low82 Ų8288.4 Ų88.440%0.40446%0.459SS..THydrogen-bonded Turntrans-48.6-3.2-178.7-83.6167.240.400115.9L45 L119L45-M121 WeakPolarHBondContact CD2-O 3.02Å; L119-M121 PolarHBondContact O-N 3.29Å
122C27.2Very low33.7Very low39 Ų3991.2 Ų91.226%0.26448%0.482SS..THydrogen-bonded Turntrans-151.631.4174.3-80.70000114.3P120 S135P120-C122 PolarHBondContact O-N 3.31Å; C122-S135 WeakPolarHBondContact O-CB 3.42Å; C122-S135 PolarHBondContact O-OG 3.08Å
123S25.4Very low33.2Very low44 Ų4489.2 Ų89.231%0.30848%0.475SS..EExtended strand (participates in β ladder)trans-106.694.4177.1-59.20000111.9P120P120-S123 WeakPolarHBondContact CB-OG 3.05Å; P120-S123 WeakPolarHBondContact CG-OG 3.48Å; P120-S123 PolarHBondContact O-N 2.93Å
124F30.5Very low32.9Very low79 Ų7987.8 Ų87.835%0.34647%0.467SS..EExtended strand (participates in β ladder)trans-75.6124.2171.5-64.6-87.5000108.5I133F124-I133 WeakPolarHBondContact O-CA 3.02Å; F124-I133 WeakPolarHBondContact O-CB 3.19Å; F124-I133 WeakPolarHBondContact O-CG1 2.95Å; F124-I133 PolarHBondContact O-N 2.75Å
125L25.9Very low32.8Very low50 Ų5086.7 Ų86.726%0.26246%0.461SS..EExtended strand (participates in β ladder)trans-82.6149.3175.2-64.9167.1000110N129 E131L125-N129 HydrophobicContact CD1-CB 4.34Å; L125-E131 WeakPolarHBondContact CA-O 3.32Å
126N30.1Very low32.8Very low78 Ų7884.5 Ų84.542%0.41745%0.453SS..PPolyproline II helixtrans-66.2168.8173.2-157.9-3000111.6D128 N129 E131 I133N126-D128 PolarHBondContact O-N 2.72Å; N126-N129 WeakPolarHBondContact O-CA 3.43Å; N126-N129 PolarHBondContact O-N 3.47Å; N126-N129 PolarHBondContact O-OD1 3.09Å; N126-E131 PolarHBondContact N-O 2.63Å; N126-I133 HydrophobicContact CB-CD1 4.03Å; N126-I133 HydrophobicContact CB-CG1 4.19Å
127K34.5Very low32.9Very low185 Ų18589.1 Ų89.180%0.80446%0.464SS*.THydrogen-bonded Turntrans-49.9-29.5-177.1-90-176175.5177.50113.8
128D39.9Very low33.4Very low130 Ų13083.7 Ų83.770%0.69545%0.448SS*.THydrogen-bonded Turntrans-98.610.1179.2-58-39.3000114.2N126 T130N126-D128 PolarHBondContact O-N 2.72Å; D128-T130 WeakPolarHBondContact O-CG2 3.38Å; D128-T130 PolarHBondContact O-N 2.66Å
129N37.2Very low33.7Very low80 Ų8081.2 Ų81.243%0.42843%0.434SS..SBendtrans5812-179.8-737.4000116.1L125 N126L125-N129 HydrophobicContact CD1-CB 4.34Å; N126-N129 WeakPolarHBondContact O-CA 3.43Å; N126-N129 PolarHBondContact O-N 3.47Å; N126-N129 PolarHBondContact O-OD1 3.09Å
130T32.8Very low34.2Very low109 Ų10983.8 Ų83.867%0.66945%0.448SS*.  trans-89.3-22.9-170.644.30000114.6D128D128-T130 WeakPolarHBondContact O-CG2 3.38Å; D128-T130 PolarHBondContact O-N 2.66Å
131E31.7Very low34.8Very low137 Ų13783.9 Ų83.964%0.6446%0.459SS*.SBendtrans-134.6136.6-176.9-66.2-175.817500111.7L125 N126 I133L125-E131 WeakPolarHBondContact CA-O 3.32Å; N126-E131 PolarHBondContact N-O 2.63Å; E131-I133 PolarHBondContact O-N 2.83Å
132S33Very low35.4Very low82 Ų8282 Ų8257%0.57346%0.457SS*.EExtended strand (participates in β ladder)trans-70.4107.9169.9-62.70000107.9D134S132-D134 PolarHBondContact O-N 3.28Å; S132-D134 VanDerWaalsContact O-N 3.09Å
133I35Very low36.1Very low34 Ų3481.5 Ų81.517%0.17445%0.452CS..EExtended strand (participates in β ladder)trans-67.4113.2170-57.6172.3000105.5F124 N126 E131 S135 T138F124-I133 WeakPolarHBondContact O-CA 3.02Å; F124-I133 WeakPolarHBondContact O-CB 3.19Å; F124-I133 WeakPolarHBondContact O-CG1 2.95Å; F124-I133 PolarHBondContact O-N 2.75Å; N126-I133 HydrophobicContact CB-CD1 4.03Å; N126-I133 HydrophobicContact CB-CG1 4.19Å; E131-I133 PolarHBondContact O-N 2.83Å; I133-S135 VanDerWaalsContact C-N 3.28Å; I133-S135 PolarHBondContact O-N 2.77Å; I133-T138 HydrophobicContact CG2-CG2 3.66Å; I133-T138 WeakPolarHBondContact CG2-OG1 3.34Å
134D38.9Very low36.9Very low82 Ų8288.2 Ų88.244%0.43947%0.471SS..EExtended strand (participates in β ladder)trans-56.498.5165.7179.32.2000106.9S132 C136 K137S132-D134 PolarHBondContact O-N 3.28Å; S132-D134 VanDerWaalsContact O-N 3.09Å; D134-C136 PolarHBondContact O-N 3.38Å; D134-C136 WeakPolarHBondContact OD1-CB 3.49Å; D134-C136 PolarHBondContact OD1-N 3.33Å; D134-K137 HydrophobicContact CB-CD 4.44Å; D134-K137 HydrophobicContact CB-CG 4.44Å; D134-K137 PolarHBondContact O-N 3.45Å; D134-K137 WeakPolarHBondContact OD2-CE 3.47Å
135S41.8Very low37.8Very low20 Ų2088.7 Ų88.714%0.1448%0.48CS..Hα-helixtrans-61.8-13.4-173.146.60000112.4C122 I133C122-S135 WeakPolarHBondContact O-CB 3.42Å; C122-S135 PolarHBondContact O-OG 3.08Å; I133-S135 VanDerWaalsContact C-N 3.28Å; I133-S135 PolarHBondContact O-N 2.77Å
136C41.7Very low39.1Very low53 Ų5387.2 Ų87.236%0.35847%0.472SS..Hα-helixtrans-71.9-28169.7-57.80000113.2D134 C155D134-C136 PolarHBondContact O-N 3.38Å; D134-C136 WeakPolarHBondContact OD1-CB 3.49Å; D134-C136 PolarHBondContact OD1-N 3.33Å; C136-C155 WeakPolarHBondContact CB-SG 3.3Å; C136-C155 WeakPolarHBondContact SG-CB 3.34Å; C136-C155 CovalentContact SG-SG 2.04Å; C136-C155 PolarHBondContact SG-SG 2.99Å
137K39.1Very low40.4Very low169 Ų16983.8 Ų83.874%0.73545%0.454SS*.Hα-helixtrans-86.4-31.4-174.5-70.9-176.4-175.3176.60114.2D134D134-K137 HydrophobicContact CB-CD 4.44Å; D134-K137 HydrophobicContact CB-CG 4.44Å; D134-K137 PolarHBondContact O-N 3.45Å; D134-K137 WeakPolarHBondContact OD2-CE 3.47Å
138T41.4Very low41.9Very low89 Ų8982.4 Ų82.455%0.54645%0.448SS..Hα-helixtrans-96.5-6.4-17551.10000114.5I133I133-T138 HydrophobicContact CG2-CG2 3.66Å; I133-T138 WeakPolarHBondContact CG2-OG1 3.34Å
139H37.9Very low43.2Very low41 Ų4177.3 Ų77.319%0.1942%0.422CS..  trans-123.639.8-175.4-80.1-72.2000114.4G141 A142 V143H139-G141 PolarHBondContact O-N 3.29Å; H139-A142 HydrophobicContact CB-CB 4.49Å; H139-A142 PolarHBondContact O-N 2.96Å; H139-V143 HydrophobicContact CB-CG2 4.09Å; H139-V143 PolarHBondContact O-N 3.15Å
140D39.6Very low44.6Very low121 Ų12174.3 Ų74.365%0.64741%0.408SS*.THydrogen-bonded Turntrans-56.7-20.5174.2-149.88000112.6
141G39Very low46.1Very low58 Ų5875.9 Ų75.960%0.59841%0.405SS*.THydrogen-bonded Turntrans-86.3-48.8174.500000115.4H139 V143H139-G141 PolarHBondContact O-N 3.29Å; G141-V143 PolarHBondContact O-N 3.25Å
142A40.5Very low47.4Very low43 Ų4372.1 Ų72.136%0.35539%0.389SS..THydrogen-bonded Turntrans-79.8-20.6-168.300000114H139H139-A142 HydrophobicContact CB-CB 4.49Å; H139-A142 PolarHBondContact O-N 2.96Å
143V41.2Very low48.4Very low27 Ų2772.6 Ų72.616%0.16438%0.382CS..SBendtrans-95.3-10-176.8-160.60000113H139 G141 V145 L152H139-V143 HydrophobicContact CB-CG2 4.09Å; H139-V143 PolarHBondContact O-N 3.15Å; G141-V143 PolarHBondContact O-N 3.25Å; V143-V145 PolarHBondContact O-N 2.79Å; V143-L152 HydrophobicContact CB-CD2 3.97Å; V143-L152 HydrophobicContact CG1-CD1 3.88Å; V143-L152 HydrophobicContact CG1-CD2 3.4Å; V143-L152 VanDerWaalsContact CG1-CD2 3.4Å; V143-L152 HydrophobicContact CG1-CG 4.17Å
144R42.2Very low49.1Very low186 Ų18675.9 Ų75.970%0.70240%0.397SS*.THydrogen-bonded Turntrans-62.6-28.6169.8-89.3-178.4148.7130.8-6.1113L146R144-L146 PolarHBondContact O-N 2.03Å
145V49.8Very low49.5Very low89 Ų8973.5 Ų73.554%0.53939%0.386SS..THydrogen-bonded Turntrans-71.1-29-172.6-172.50000112.8V143V143-V145 PolarHBondContact O-N 2.79Å
146L52.9Low49.6Very low19 Ų1976.9 Ų76.910%0.09940%0.402CS..THydrogen-bonded Turntrans-76.5-40.1-176.7-62.8176.8000112.5R144 K148 F172R144-L146 PolarHBondContact O-N 2.03Å; L146-K148 PolarHBondContact O-N 2.74Å; L146-F172 HydrophobicContact CB-CD1 4Å; L146-F172 HydrophobicContact CB-CE1 4.28Å; L146-F172 HydrophobicContact CD1-CE1 4.39Å
147C57.6Low49.7Very low5 Ų578.6 Ų78.63%0.03441%0.413CS..  trans-92.872-171.8-67.90000110.6S150 C162C147-S150 VanDerWaalsContact CA-OG 3.25Å; C147-S150 WeakPolarHBondContact CA-OG 3.24Å; C147-S150 WeakPolarHBondContact CB-OG 3.26Å; C147-S150 PolarHBondContact O-N 3.32Å; C147-S150 VanDerWaalsContact O-O 3.05Å; C147-S150 PolarHBondContact O-OG 3.23Å; C147-C162 WeakPolarHBondContact CA-SG 3.46Å; C147-C162 HydrophobicContact CB-CB 3.88Å; C147-C162 WeakPolarHBondContact CB-SG 3.12Å; C147-C162 WeakPolarHBondContact SG-CB 3.44Å; C147-C162 CovalentContact SG-SG 2.03Å; C147-C162 PolarHBondContact SG-SG 2.77Å
148K65.9Low49.8Very low157 Ų15777.4 Ų77.468%0.68342%0.415SS*.THydrogen-bonded Turntrans-52.4-68.6-168.9-171.1178.2-177.1177.90114.5L146 S150 K174L146-K148 PolarHBondContact O-N 2.74Å; K148-S150 VanDerWaalsContact C-N 3.3Å; K148-S150 PolarHBondContact O-N 2.72Å; K148-K174 HydrophobicContact CB-CG 4.39Å
149S68Low50.2Low22 Ų2274.6 Ų74.615%0.15440%0.403CS..THydrogen-bonded Turntrans-96.845.9-177.5-57.50000111.1D165 W168S149-D165 VanDerWaalsContact O-CB 3.27Å; S149-D165 WeakPolarHBondContact O-CB 3.21Å; S149-D165 VanDerWaalsContact O-CG 3.31Å; S149-D165 PolarHBondContact O-N 2.87Å; S149-W168 VanDerWaalsContact CB-CD2 3.43Å; S149-W168 VanDerWaalsContact CB-CE2 3.44Å; S149-W168 VanDerWaalsContact OG-CZ2 3.26Å; S149-W168 WeakPolarHBondContact OG-CZ2 3.49Å
150S65.9Low51Low17 Ų1776.3 Ų76.312%0.11941%0.408CS..EExtended strand (participates in β ladder)trans-164.7169-165.358.50000113.7C147 K148 R163 C173C147-S150 VanDerWaalsContact CA-OG 3.25Å; C147-S150 WeakPolarHBondContact CA-OG 3.24Å; C147-S150 WeakPolarHBondContact CB-OG 3.26Å; C147-S150 PolarHBondContact O-N 3.32Å; C147-S150 VanDerWaalsContact O-O 3.05Å; C147-S150 PolarHBondContact O-OG 3.23Å; K148-S150 VanDerWaalsContact C-N 3.3Å; K148-S150 PolarHBondContact O-N 2.72Å; S150-R163 WeakPolarHBondContact CB-O 3.36Å; S150-C173 WeakPolarHBondContact CB-SG 3.49Å; S150-C173 WeakPolarHBondContact OG-CB 3.09Å; S150-C173 PolarHBondContact OG-SG 3.45Å
151K65.2Low51.9Low143 Ų14378.1 Ų78.162%0.62241%0.41SS*.EExtended strand (participates in β ladder)trans-111.1138.1171.9-64.5178.9-176.1179.70110E153 R163K151-E153 PolarHBondContact O-N 3.16Å; K151-R163 PolarHBondContact N-O 3.37Å; K151-R163 PolarHBondContact O-N 2.87Å
152L58.8Low53.3Low57 Ų5775.9 Ų75.930%0.29839%0.385SS..EExtended strand (participates in β ladder)trans-67.5117169.8-171.877.7000108.1V143 R160V143-L152 HydrophobicContact CB-CD2 3.97Å; V143-L152 HydrophobicContact CG1-CD1 3.88Å; V143-L152 HydrophobicContact CG1-CD2 3.4Å; V143-L152 VanDerWaalsContact CG1-CD2 3.4Å; V143-L152 HydrophobicContact CG1-CG 4.17Å; L152-R160 HydrophobicContact CD1-CB 4.3Å
153E54.5Low54.9Low93 Ų9380 Ų8044%0.43539%0.392SS..EExtended strand (participates in β ladder)trans-99.1-41.5-173.5-158.4-175.6-162.400111.7K151 R163K151-E153 PolarHBondContact O-N 3.16Å; E153-R163 HydrophobicContact CB-CB 3.85Å; E153-R163 VanDerWaalsContact CD-CD 3.48Å; E153-R163 HydrophobicContact CG-CB 4.32Å; E153-R163 WeakPolarHBondContact OE1-CD 3.48Å; E153-R163 IonicContact OE1-CZ 2.66Å; E153-R163 IonicContact OE1-NE 3.77Å; E153-R163 IonicContact OE1-NH1 3.57Å; E153-R163 PolarHBondContact OE1-NH1 3.07Å; E153-R163 WeakPolarHBondContact OE2-CB 3.44Å; E153-R163 WeakPolarHBondContact OE2-CD 3.49Å
154H48.5Very low56.7Low103 Ų10380.6 Ų80.648%0.47740%0.397SS..EExtended strand (participates in β ladder)trans-141.5122.1-178.5-71.966.8000110.3K161H154-K161 PolarHBondContact O-N 3.1Å
155C47.9Very low58.6Low31 Ų3175.7 Ų75.721%0.20938%0.384CS..EExtended strand (participates in β ladder)trans-91.691.5153.3-2.60000107.3C136C136-C155 WeakPolarHBondContact CB-SG 3.3Å; C136-C155 WeakPolarHBondContact SG-CB 3.34Å; C136-C155 CovalentContact SG-SG 2.04Å; C136-C155 PolarHBondContact SG-SG 2.99Å
156N43.7Very low60.2Low91 Ų9176.4 Ų76.449%0.48740%0.4SS..EExtended strand (participates in β ladder)trans-94.1159.7170.4-97.711.2000110D158 G159N156-D158 PolarHBondContact O-N 3.18Å; N156-D158 VanDerWaalsContact O-N 3.11Å; N156-G159 PolarHBondContact O-N 3.19Å
157P43.5Very low61.5Low89 Ų8976.3 Ų76.358%0.57840%0.403SS*.THydrogen-bonded Turntrans-56.6-26.117719.3-30.7000113.9G159P157-G159 PolarHBondContact O-N 2.92Å
158D42.3Very low62.7Low144 Ų14479.9 Ų79.977%0.7742%0.416SS*.THydrogen-bonded Turntrans-76.9-5.2177.8-63.1-39.9000114.3N156N156-D158 PolarHBondContact O-N 3.18Å; N156-D158 VanDerWaalsContact O-N 3.11Å
159G48.2Very low63.2Low30 Ų3074.5 Ų74.531%0.30939%0.393SS..EExtended strand (participates in β ladder)trans127.9163.3177.200000114.1N156 P157N156-G159 PolarHBondContact O-N 3.19Å; P157-G159 PolarHBondContact O-N 2.92Å
160R55.6Low63.2Low78 Ų7875 Ų7529%0.29440%0.401SS..EExtended strand (participates in β ladder)trans-76123.4179.7-65.9171.5-67.2173.111.3109.2H46 L152H46-R160 VanDerWaalsContact CD2-CZ 3.48Å; H46-R160 PolarHBondContact CD2-NH1 3.34Å; H46-R160 PolarHBondContact CD2-NH2 3.09Å; H46-R160 PolarHBondContact NE2-NH2 2.8Å; L152-R160 HydrophobicContact CD1-CB 4.3Å
161K59.1Low63.1Low159 Ų15978.5 Ų78.569%0.69142%0.424SS*.EExtended strand (participates in β ladder)trans-118.5120.4175.8-170177-179.6-177.90109.9H154H154-K161 PolarHBondContact O-N 3.1Å
162C67.6Low63.2Low11 Ų1174.2 Ų74.27%0.07441%0.406CS..EExtended strand (participates in β ladder)trans-76.4140.8171.3-55.20000109.6C147 P171 C173C147-C162 WeakPolarHBondContact CA-SG 3.46Å; C147-C162 HydrophobicContact CB-CB 3.88Å; C147-C162 WeakPolarHBondContact CB-SG 3.12Å; C147-C162 WeakPolarHBondContact SG-CB 3.44Å; C147-C162 CovalentContact SG-SG 2.03Å; C147-C162 PolarHBondContact SG-SG 2.77Å; C162-P171 PolarHBondContact SG-O 2.9Å; C162-P171 VanDerWaalsContact SG-O 3.38Å; C162-C173 WeakPolarHBondContact CB-SG 3.38Å
163R74.4Confident63.6Low129 Ų12971.5 Ų71.549%0.48739%0.391SS..EExtended strand (participates in β ladder)trans-95.9106.6164.6-178.9176.461.8-174.18.2108.6S150 K151 E153S150-R163 WeakPolarHBondContact CB-O 3.36Å; K151-R163 PolarHBondContact N-O 3.37Å; K151-R163 PolarHBondContact O-N 2.87Å; E153-R163 HydrophobicContact CB-CB 3.85Å; E153-R163 VanDerWaalsContact CD-CD 3.48Å; E153-R163 HydrophobicContact CG-CB 4.32Å; E153-R163 WeakPolarHBondContact OE1-CD 3.48Å; E153-R163 IonicContact OE1-CZ 2.66Å; E153-R163 IonicContact OE1-NE 3.77Å; E153-R163 IonicContact OE1-NH1 3.57Å; E153-R163 PolarHBondContact OE1-NH1 3.07Å; E153-R163 WeakPolarHBondContact OE2-CB 3.44Å; E153-R163 WeakPolarHBondContact OE2-CD 3.49Å
164C78.7Confident64.5Low40 Ų4072 Ų7227%0.2739%0.392SS..EExtended strand (participates in β ladder)trans-65.8139.1-177.2-52.40000112.2W168 C173C164-W168 HydrophobicContact CB-CB 4.07Å; C164-W168 WeakPolarHBondContact CB-O 3.05Å; C164-C173 WeakPolarHBondContact CA-SG 3.1Å; C164-C173 HydrophobicContact CB-CB 3.72Å; C164-C173 WeakPolarHBondContact CB-SG 3.48Å; C164-C173 PolarHBondContact N-SG 2.89Å; C164-C173 VanDerWaalsContact N-SG 3.37Å; C164-C173 VanDerWaalsContact SG-CA 3.57Å; C164-C173 WeakPolarHBondContact SG-CB 3.1Å; C164-C173 CovalentContact SG-SG 2.03Å; C164-C173 PolarHBondContact SG-SG 3Å
165D82.6Confident65.7Low83 Ų8372.7 Ų72.744%0.44440%0.396SS..PPolyproline II helixtrans-66.8159.3165.4-64.6-29000109.4S149 G167 W168S149-D165 VanDerWaalsContact O-CB 3.27Å; S149-D165 WeakPolarHBondContact O-CB 3.21Å; S149-D165 VanDerWaalsContact O-CG 3.31Å; S149-D165 PolarHBondContact O-N 2.87Å; D165-G167 PolarHBondContact O-N 3.19Å; D165-W168 PolarHBondContact O-N 2.92Å
166A82.5Confident67.1Low104 Ų10476 Ų7686%0.8640%0.404SS*.THydrogen-bonded Turntrans-55.3132.7-175.600000112.1
167G82Confident69Low17 Ų1776 Ų7618%0.17540%0.4CS..THydrogen-bonded Turntrans878.2-178.500000115.7D165 E177D165-G167 PolarHBondContact O-N 3.19Å; G167-E177 PolarHBondContact O-N 2.88Å
168W81.8Confident70.8Confident79 Ų7974.8 Ų74.830%0.29939%0.389SS..EExtended strand (participates in β ladder)trans-122.5147.4175.2-62.788000111.6S149 C164 D165 C173 E175S149-W168 VanDerWaalsContact CB-CD2 3.43Å; S149-W168 VanDerWaalsContact CB-CE2 3.44Å; S149-W168 VanDerWaalsContact OG-CZ2 3.26Å; S149-W168 WeakPolarHBondContact OG-CZ2 3.49Å; C164-W168 HydrophobicContact CB-CB 4.07Å; C164-W168 WeakPolarHBondContact CB-O 3.05Å; D165-W168 PolarHBondContact O-N 2.92Å; W168-C173 HydrophobicContact CB-CB 4.37Å; W168-E175 CarbonylContact C-O 3.54Å; W168-E175 VanDerWaalsContact CA-O 3.3Å; W168-E175 WeakPolarHBondContact CA-O 3.35Å
169E76.2Confident72.8Confident45 Ų4572.1 Ų72.121%0.2137%0.371CS..EExtended strand (participates in β ladder)trans-141.5177.4177.975176.8162.700113.2C173 E175 N178 K181E169-C173 VanDerWaalsContact O-CA 3.28Å; E169-C173 WeakPolarHBondContact O-CA 3.21Å; E169-E175 HydrophobicContact CG-CB 4.19Å; E169-E175 PolarHBondContact N-O 3.45Å; E169-E175 PolarHBondContact O-N 3.02Å; E169-N178 VanDerWaalsContact OE1-CB 3.24Å; E169-N178 WeakPolarHBondContact OE1-CB 3.27Å; E169-N178 PolarHBondContact OE1-N 3.06Å; E169-K181 IonicContact OE1-NZ 2.92Å; E169-K181 PolarHBondContact OE1-NZ 3.36Å; E169-K181 IonicContact OE2-NZ 2.77Å; E169-K181 PolarHBondContact OE2-NZ 2.91Å
170G67.9Low74.5Confident31 Ų3171.6 Ų71.632%0.3236%0.362SS..SBendtrans94.5167.3-177.800000113.7F172 C173G170-F172 PolarHBondContact O-N 3.24Å; G170-F172 VanDerWaalsContact O-N 3.15Å; G170-C173 PolarHBondContact O-N 3.38Å
171P63.7Low75.7Confident92 Ų9274.4 Ų74.460%0.59738%0.376SS*.THydrogen-bonded Turntrans-61.2-26.8-175.823.4-33000113.3C162C162-P171 PolarHBondContact SG-O 2.9Å; C162-P171 VanDerWaalsContact SG-O 3.38Å
172F67Low76.6Confident53 Ų5375.5 Ų75.523%0.23238%0.381CS..THydrogen-bonded Turntrans-1177.7-178.3-60.3-61.8000113.9L146 G170 K174L146-F172 HydrophobicContact CB-CD1 4Å; L146-F172 HydrophobicContact CB-CE1 4.28Å; L146-F172 HydrophobicContact CD1-CE1 4.39Å; G170-F172 PolarHBondContact O-N 3.24Å; G170-F172 VanDerWaalsContact O-N 3.15Å; F172-K174 HydrophobicContact CB-CD 4.36Å; F172-K174 HydrophobicContact CB-CG 4.14Å; F172-K174 PolarHBondContact O-N 3.26Å
173C68.9Low76.6Confident0 Ų080.9 Ų80.90%041%0.409CS..SBendtrans53.637.1179.8-48.50000113.5S150 C162 C164 W168 E169 G170S150-C173 WeakPolarHBondContact CB-SG 3.49Å; S150-C173 WeakPolarHBondContact OG-CB 3.09Å; S150-C173 PolarHBondContact OG-SG 3.45Å; C162-C173 WeakPolarHBondContact CB-SG 3.38Å; C164-C173 WeakPolarHBondContact CA-SG 3.1Å; C164-C173 HydrophobicContact CB-CB 3.72Å; C164-C173 WeakPolarHBondContact CB-SG 3.48Å; C164-C173 PolarHBondContact N-SG 2.89Å; C164-C173 VanDerWaalsContact N-SG 3.37Å; C164-C173 VanDerWaalsContact SG-CA 3.57Å; C164-C173 WeakPolarHBondContact SG-CB 3.1Å; C164-C173 CovalentContact SG-SG 2.03Å; C164-C173 PolarHBondContact SG-SG 3Å; W168-C173 HydrophobicContact CB-CB 4.37Å; E169-C173 VanDerWaalsContact O-CA 3.28Å; E169-C173 WeakPolarHBondContact O-CA 3.21Å; G170-C173 PolarHBondContact O-N 3.38Å
174K72.5Confident76.8Confident103 Ų10377.9 Ų77.945%0.44841%0.408SS..  trans-95.7-14.5177-66.9-175.3179.6-176.70112.2K148 F172K148-K174 HydrophobicContact CB-CG 4.39Å; F172-K174 HydrophobicContact CB-CD 4.36Å; F172-K174 HydrophobicContact CB-CG 4.14Å; F172-K174 PolarHBondContact O-N 3.26Å
175E73.6Confident77.1Confident118 Ų11876.9 Ų76.955%0.55140%0.402SS*.EExtended strand (participates in β ladder)trans-99148.1179.5-63.6173.1-171.400110W168 E169W168-E175 CarbonylContact C-O 3.54Å; W168-E175 VanDerWaalsContact CA-O 3.3Å; W168-E175 WeakPolarHBondContact CA-O 3.35Å; E169-E175 HydrophobicContact CG-CB 4.19Å; E169-E175 PolarHBondContact N-O 3.45Å; E169-E175 PolarHBondContact O-N 3.02Å
176R78.1Confident77.2Confident101 Ų10174.2 Ų74.238%0.38139%0.389SS..EExtended strand (participates in β ladder)trans-77.1139.3171.8-60-63.6-69.7-76.44.9108.6N178 D195 E196R176-N178 PolarHBondContact O-N 2.74Å; R176-N178 VanDerWaalsContact O-N 3.07Å; R176-D195 PolarHBondContact NH1-O 2.77Å; R176-E196 VanDerWaalsContact NH2-C 3.26Å; R176-E196 PolarHBondContact NH2-O 3.11Å
177E83.5Confident77.3Confident89 Ų8974.3 Ų74.342%0.41638%0.384SS..PPolyproline II helixtrans-53.7118.4174.8-175.7-175.4175.100109.8G167 K179G167-E177 PolarHBondContact O-N 2.88Å; E177-K179 VanDerWaalsContact C-N 3.31Å; E177-K179 PolarHBondContact O-N 3.19Å
178N81.6Confident77.4Confident65 Ų6575.5 Ų75.535%0.34839%0.386SS..  trans-73.188.4177.3-175.5-11.5000110.3E169 R176 C180 K181E169-N178 VanDerWaalsContact OE1-CB 3.24Å; E169-N178 WeakPolarHBondContact OE1-CB 3.27Å; E169-N178 PolarHBondContact OE1-N 3.06Å; R176-N178 PolarHBondContact O-N 2.74Å; R176-N178 VanDerWaalsContact O-N 3.07Å; N178-C180 PolarHBondContact O-N 3.39Å; N178-C180 WeakPolarHBondContact OD1-CA 3.46Å; N178-C180 WeakPolarHBondContact OD1-CB 3.48Å; N178-C180 PolarHBondContact OD1-N 2.9Å; N178-K181 HydrophobicContact CB-CD 4.09Å; N178-K181 HydrophobicContact CB-CG 4.12Å; N178-K181 WeakPolarHBondContact O-CB 3.47Å; N178-K181 WeakPolarHBondContact O-CG 3.41Å; N178-K181 PolarHBondContact O-N 3.23Å
179K83.2Confident77.7Confident88 Ų8872.4 Ų72.438%0.38338%0.379SS..G310 helixtrans-63.8-17.7176.9-66178.8-174.3163.20113E177 K181 K182 M193 G197 A199E177-K179 VanDerWaalsContact C-N 3.31Å; E177-K179 PolarHBondContact O-N 3.19Å; K179-K181 PolarHBondContact O-N 2.92Å; K179-K182 PolarHBondContact O-N 2.03Å; K179-M193 HydrophobicContact CB-CE 4Å; K179-M193 HydrophobicContact CB-SD 3.87Å; K179-M193 HydrophobicContact CD-CE 4.34Å; K179-M193 HydrophobicContact CG-CE 4.17Å; K179-G197 WeakPolarHBondContact CD-O 3.41Å; K179-G197 VanDerWaalsContact CE-O 3.26Å; K179-G197 WeakPolarHBondContact CE-O 3.34Å; K179-G197 PolarHBondContact NZ-O 2.98Å; K179-A199 HydrophobicContact CB-CB 3.82Å
180C83.4Confident78.4Confident18 Ų1875.4 Ų75.412%0.12240%0.395CS..G310 helixtrans-67.7-19.5172.1-66.30000113.2N178 K182 N183 C191N178-C180 PolarHBondContact O-N 3.39Å; N178-C180 WeakPolarHBondContact OD1-CA 3.46Å; N178-C180 WeakPolarHBondContact OD1-CB 3.48Å; N178-C180 PolarHBondContact OD1-N 2.9Å; C180-K182 PolarHBondContact O-N 3.08Å; C180-K182 VanDerWaalsContact O-N 3.12Å; C180-N183 PolarHBondContact O-N 3.38Å; C180-N183 PolarHBondContact O-OD1 3.47Å; C180-C191 WeakPolarHBondContact CA-SG 3.43Å; C180-C191 HydrophobicContact CB-CB 3.57Å; C180-C191 WeakPolarHBondContact CB-SG 3.28Å; C180-C191 WeakPolarHBondContact SG-CB 3.23Å; C180-C191 CovalentContact SG-SG 2.03Å; C180-C191 PolarHBondContact SG-SG 3.37Å
181K81.3Confident79.3Confident137 Ų13775.5 Ų75.560%0.59639%0.39SS*.G310 helixtrans-58.2-25.4173.3-72172.3179.8158.80113E169 N178 K179 N183E169-K181 IonicContact OE1-NZ 2.92Å; E169-K181 PolarHBondContact OE1-NZ 3.36Å; E169-K181 IonicContact OE2-NZ 2.77Å; E169-K181 PolarHBondContact OE2-NZ 2.91Å; N178-K181 HydrophobicContact CB-CD 4.09Å; N178-K181 HydrophobicContact CB-CG 4.12Å; N178-K181 WeakPolarHBondContact O-CB 3.47Å; N178-K181 WeakPolarHBondContact O-CG 3.41Å; N178-K181 PolarHBondContact O-N 3.23Å; K179-K181 PolarHBondContact O-N 2.92Å; K181-N183 PolarHBondContact O-N 3.27Å
182K77.1Confident80.5Confident182 Ų18275 Ų7579%0.79138%0.382SS*.G310 helixtrans-77.3-7.4177.1-158.8170.1179.31800113.2K179 C180 S184K179-K182 PolarHBondContact O-N 2.03Å; C180-K182 PolarHBondContact O-N 3.08Å; C180-K182 VanDerWaalsContact O-N 3.12Å; K182-S184 PolarHBondContact O-N 3.02Å
183N68.7Low81.4Confident124 Ų12475.6 Ų75.666%0.66339%0.386SS*.  trans42.859.3174-82.9-13.9000114.1C180 K181 C185C180-N183 PolarHBondContact O-N 3.38Å; C180-N183 PolarHBondContact O-OD1 3.47Å; K181-N183 PolarHBondContact O-N 3.27Å; N183-C185 VanDerWaalsContact C-N 3.31Å
184S78.5Confident82Confident66 Ų6678.6 Ų78.646%0.46240%0.402SS..  trans-73.8-23.5172.5-55.50000112.9K182K182-S184 PolarHBondContact O-N 3.02Å
185C84.7Confident82.3Confident20 Ų2081.5 Ų81.514%0.13542%0.423CS..SBendtrans-70.8136.4177.6-510000110.6N183 C191 C201N183-C185 VanDerWaalsContact C-N 3.31Å; C185-C191 VanDerWaalsContact SG-CB 3.57Å; C185-C201 WeakPolarHBondContact CA-SG 3.49Å; C185-C201 HydrophobicContact CB-CB 3.89Å; C185-C201 WeakPolarHBondContact CB-SG 3.43Å; C185-C201 VanDerWaalsContact SG-CA 3.54Å; C185-C201 WeakPolarHBondContact SG-CB 3.04Å; C185-C201 CovalentContact SG-SG 2.02Å; C185-C201 PolarHBondContact SG-SG 3.35Å
186S84.5Confident82.6Confident27 Ų2782.5 Ų82.519%0.18943%0.428CS..  trans-58.4163.6167-168.40000110.8N188 G189 E211 C212S186-N188 PolarHBondContact O-N 3.46Å; S186-N188 PolarHBondContact OG-ND2 3.43Å; S186-G189 PolarHBondContact O-N 2.68Å; S186-E211 WeakPolarHBondContact CB-O 3.27Å; S186-E211 PolarHBondContact N-O 2.89Å; S186-C212 WeakPolarHBondContact CB-O 3.46Å
187S85Confident82.6Confident106 Ų10677.9 Ų77.974%0.74141%0.411SS*.THydrogen-bonded Turntrans-58.3-11.4171.7570000113.5G189S187-G189 VanDerWaalsContact C-N 3.34Å
188N84.5Confident82.6Confident41 Ų4178.9 Ų78.922%0.21942%0.416CS..THydrogen-bonded Turntrans-93.515.8177.9-53.6-65.3000113.3S186 L204 S207 L235S186-N188 PolarHBondContact O-N 3.46Å; S186-N188 PolarHBondContact OG-ND2 3.43Å; N188-L204 VanDerWaalsContact O-CB 3.31Å; N188-L204 WeakPolarHBondContact O-CB 3.11Å; N188-L204 WeakPolarHBondContact O-CG 3.25Å; N188-L204 PolarHBondContact O-N 3.09Å; N188-S207 PolarHBondContact O-OG 3.04Å; N188-L235 HydrophobicContact CB-CD2 4.11Å; N188-L235 WeakPolarHBondContact ND2-CD2 3.23Å
189G88Confident82.8Confident15 Ų1578.1 Ų78.116%0.15542%0.418CS..EExtended strand (participates in β ladder)trans-146.5159.5173.800000112.3S186 S187 A202S186-G189 PolarHBondContact O-N 2.68Å; S187-G189 VanDerWaalsContact C-N 3.34Å; G189-A202 CarbonylContact C-O 3.5Å; G189-A202 VanDerWaalsContact CA-O 3.22Å; G189-A202 WeakPolarHBondContact CA-O 3.15Å
190I89.5Confident83.1Confident108 Ų10876.7 Ų76.755%0.55442%0.419SS*.EExtended strand (participates in β ladder)trans-105.1124.9173.9-58.7173.9000107.6I192 A202I190-I192 HydrophobicContact CG2-CG2 4.33Å; I190-I192 PolarHBondContact O-N 3.17Å; I190-A202 PolarHBondContact N-O 2.99Å; I190-A202 PolarHBondContact O-N 3.15Å
191C87.1Confident83.5Confident32 Ų3277.2 Ų77.222%0.21642%0.423CS..EExtended strand (participates in β ladder)trans-73.8126.6173.7-171.90000110C180 C185 S200C180-C191 WeakPolarHBondContact CA-SG 3.43Å; C180-C191 HydrophobicContact CB-CB 3.57Å; C180-C191 WeakPolarHBondContact CB-SG 3.28Å; C180-C191 WeakPolarHBondContact SG-CB 3.23Å; C180-C191 CovalentContact SG-SG 2.03Å; C180-C191 PolarHBondContact SG-SG 3.37Å; C185-C191 VanDerWaalsContact SG-CB 3.57Å; C191-S200 WeakPolarHBondContact CA-O 3.49Å
192I88.9Confident83.9Confident82 Ų8272.7 Ų72.742%0.42141%0.411SS..EExtended strand (participates in β ladder)trans-122.7142.217859170.2000109.4I190 A199 S200 A202I190-I192 HydrophobicContact CG2-CG2 4.33Å; I190-I192 PolarHBondContact O-N 3.17Å; I192-A199 WeakPolarHBondContact O-CA 3.44Å; I192-S200 WeakPolarHBondContact CG1-O 3.26Å; I192-S200 WeakPolarHBondContact CG1-OG 3.44Å; I192-S200 PolarHBondContact N-O 3.32Å; I192-S200 PolarHBondContact O-N 3.36Å; I192-A202 HydrophobicContact CD1-CB 4.21Å; I192-A202 HydrophobicContact CG2-CB 4.46Å
193M86Confident84.5Confident65 Ų6566.3 Ų66.332%0.3239%0.389SS..EExtended strand (participates in β ladder)trans-102.7134.3174.4-64.9-70.3-67.500108.8K179 G197 E198 A199K179-M193 HydrophobicContact CB-CE 4Å; K179-M193 HydrophobicContact CB-SD 3.87Å; K179-M193 HydrophobicContact CD-CE 4.34Å; K179-M193 HydrophobicContact CG-CE 4.17Å; M193-G197 VanDerWaalsContact CE-C 3.4Å; M193-G197 WeakPolarHBondContact CE-O 3.42Å; M193-E198 WeakPolarHBondContact CA-O 3.37Å; M193-A199 HydrophobicContact SD-CB 3.61Å
194N82.1Confident85.4Confident63 Ų6364.1 Ų64.134%0.33738%0.377SS..  trans-83.6172169.170.46.6000111.1E196 G197 E198N194-E196 PolarHBondContact O-N 3.11Å; N194-E196 WeakPolarHBondContact OD1-CA 3.31Å; N194-E196 WeakPolarHBondContact OD1-CB 3.37Å; N194-E196 PolarHBondContact OD1-N 3.36Å; N194-G197 PolarHBondContact O-N 3.2Å; N194-G197 PolarHBondContact OD1-N 3.37Å; N194-E198 PolarHBondContact N-O 3.17Å; N194-E198 WeakPolarHBondContact OD1-CB 3.12Å; N194-E198 PolarHBondContact OD1-N 2.95Å; N194-E198 PolarHBondContact OD1-O 3.03Å
195D78.1Confident85.7Confident164 Ų16466.6 Ų66.688%0.87739%0.391SS*.THydrogen-bonded Turntrans-61.5-26.4178.6-62.1-33.8000112.5R176 G197R176-D195 PolarHBondContact NH1-O 2.77Å; D195-G197 PolarHBondContact O-N 3.44Å
196E80.7Confident85.8Confident140 Ų14066.6 Ų66.665%0.65440%0.395SS*.THydrogen-bonded Turntrans-76.6-2.7174.9-60.3-176.3-179.800113R176 N194 E198R176-E196 VanDerWaalsContact NH2-C 3.26Å; R176-E196 PolarHBondContact NH2-O 3.11Å; N194-E196 PolarHBondContact O-N 3.11Å; N194-E196 WeakPolarHBondContact OD1-CA 3.31Å; N194-E196 WeakPolarHBondContact OD1-CB 3.37Å; N194-E196 PolarHBondContact OD1-N 3.36Å; E196-E198 HydrophobicContact CB-CG 4.5Å
197G77.4Confident85.9Confident4 Ų465.9 Ų65.94%0.04139%0.39CS..SBendtrans73.724.9178.700000113.7K179 M193 N194 D195K179-G197 WeakPolarHBondContact CD-O 3.41Å; K179-G197 VanDerWaalsContact CE-O 3.26Å; K179-G197 WeakPolarHBondContact CE-O 3.34Å; K179-G197 PolarHBondContact NZ-O 2.98Å; M193-G197 VanDerWaalsContact CE-C 3.4Å; M193-G197 WeakPolarHBondContact CE-O 3.42Å; N194-G197 PolarHBondContact O-N 3.2Å; N194-G197 PolarHBondContact OD1-N 3.37Å; D195-G197 PolarHBondContact O-N 3.44Å
198E83.4Confident86.2Confident110 Ų11063.8 Ų63.851%0.51437%0.373SS..  trans-92.4139.1169.6-55.3-169.2145.400110.3M193 N194 E196M193-E198 WeakPolarHBondContact CA-O 3.37Å; N194-E198 PolarHBondContact N-O 3.17Å; N194-E198 WeakPolarHBondContact OD1-CB 3.12Å; N194-E198 PolarHBondContact OD1-N 2.95Å; N194-E198 PolarHBondContact OD1-O 3.03Å; E196-E198 HydrophobicContact CB-CG 4.5Å
199A87.3Confident86.4Confident48 Ų4863 Ų6340%0.39737%0.374SS..EExtended strand (participates in β ladder)trans-90.7134.2175.600000109.9K179 I192 M193K179-A199 HydrophobicContact CB-CB 3.82Å; I192-A199 WeakPolarHBondContact O-CA 3.44Å; M193-A199 HydrophobicContact SD-CB 3.61Å
200S89Confident86.4Confident58 Ų5868.3 Ų68.341%0.40640%0.404SS..EExtended strand (participates in β ladder)trans-136.3159.3171.459.50000110.4C191 I192C191-S200 WeakPolarHBondContact CA-O 3.49Å; I192-S200 WeakPolarHBondContact CG1-O 3.26Å; I192-S200 WeakPolarHBondContact CG1-OG 3.44Å; I192-S200 PolarHBondContact N-O 3.32Å; I192-S200 PolarHBondContact O-N 3.36Å
201C90.7Very high86.4Confident29 Ų2966.8 Ų66.820%0.19640%0.395CS..EExtended strand (participates in β ladder)trans-102.7122.7179.1-55.30000110C185 T210 C212C185-C201 WeakPolarHBondContact CA-SG 3.49Å; C185-C201 HydrophobicContact CB-CB 3.89Å; C185-C201 WeakPolarHBondContact CB-SG 3.43Å; C185-C201 VanDerWaalsContact SG-CA 3.54Å; C185-C201 WeakPolarHBondContact SG-CB 3.04Å; C185-C201 CovalentContact SG-SG 2.02Å; C185-C201 PolarHBondContact SG-SG 3.35Å; C201-T210 WeakPolarHBondContact CB-O 3.2Å; C201-T210 PolarHBondContact SG-O 3.17Å; C201-C212 VanDerWaalsContact CB-SG 3.51Å
202A91.1Very high86.5Confident42 Ų4265.2 Ų65.235%0.34738%0.384SS..EExtended strand (participates in β ladder)trans-85106.816500000108.6G189 I190 I192G189-A202 CarbonylContact C-O 3.5Å; G189-A202 VanDerWaalsContact CA-O 3.22Å; G189-A202 WeakPolarHBondContact CA-O 3.15Å; I190-A202 PolarHBondContact N-O 2.99Å; I190-A202 PolarHBondContact O-N 3.15Å; I192-A202 HydrophobicContact CD1-CB 4.21Å; I192-A202 HydrophobicContact CG2-CB 4.46Å
203C88.9Confident86.4Confident48 Ų4867.2 Ų67.232%0.32439%0.39SS..EExtended strand (participates in β ladder)trans-74.4139.9-176.2-58.20000112.3S207 G209 C212C203-S207 WeakPolarHBondContact CB-O 3.4Å; C203-S207 WeakPolarHBondContact CB-OG 3.12Å; C203-G209 PolarHBondContact SG-O 2.66Å; C203-G209 VanDerWaalsContact SG-O 3.4Å; C203-C212 WeakPolarHBondContact CA-SG 3.5Å; C203-C212 HydrophobicContact CB-CB 3.76Å; C203-C212 WeakPolarHBondContact CB-SG 3.27Å; C203-C212 VanDerWaalsContact SG-CA 3.5Å; C203-C212 WeakPolarHBondContact SG-CB 3.42Å; C203-C212 CovalentContact SG-SG 2.04Å; C203-C212 PolarHBondContact SG-SG 3.33Å
204L87.6Confident86.4Confident79 Ų7969.7 Ų69.741%0.41440%0.401SS..PPolyproline II helixtrans-68.7153.9170.9-65.6178.7000109.9N188 G206 S207N188-L204 VanDerWaalsContact O-CB 3.31Å; N188-L204 WeakPolarHBondContact O-CB 3.11Å; N188-L204 WeakPolarHBondContact O-CG 3.25Å; N188-L204 PolarHBondContact O-N 3.09Å; L204-G206 PolarHBondContact O-N 3.23Å; L204-S207 PolarHBondContact N-OG 3.41Å; L204-S207 PolarHBondContact O-N 2.68Å; L204-S207 PolarHBondContact O-OG 2.95Å
205P85.8Confident86.6Confident117 Ų11768 Ų6876%0.7639%0.391SS*.THydrogen-bonded Turntrans-51.7134.7174.6-25.934.5000111.8
206G85.4Confident87.1Confident21 Ų2163.2 Ų63.222%0.21637%0.371CS..THydrogen-bonded Turntrans89.34.3-174.500000114.6L204 D215 S216 L235 R236L204-G206 PolarHBondContact O-N 3.23Å; G206-D215 VanDerWaalsContact O-OD1 3.09Å; G206-S216 WeakPolarHBondContact CA-OG 3.39Å; G206-L235 WeakPolarHBondContact O-CD1 2.94Å; G206-R236 WeakPolarHBondContact O-CG 3.05Å
207S88.3Confident87.3Confident12 Ų1263 Ų638%0.08437%0.37CS..EExtended strand (participates in β ladder)trans-135.1151.3177.867.10000111.8N188 C203 L204 E214N188-S207 PolarHBondContact O-OG 3.04Å; C203-S207 WeakPolarHBondContact CB-O 3.4Å; C203-S207 WeakPolarHBondContact CB-OG 3.12Å; L204-S207 PolarHBondContact N-OG 3.41Å; L204-S207 PolarHBondContact O-N 2.68Å; L204-S207 PolarHBondContact O-OG 2.95Å; S207-E214 CarbonylContact C-O 3.54Å; S207-E214 VanDerWaalsContact CA-O 3.31Å; S207-E214 WeakPolarHBondContact CA-O 3.3Å
208T89.6Confident87.7Confident61 Ų6166.3 Ų66.337%0.37439%0.387SS..EExtended strand (participates in β ladder)trans-148178.2-176.3-164.90000112.1C212 K213 E214 D215T208-C212 CarbonylContact O-C 3.54Å; T208-C212 VanDerWaalsContact O-CA 3.23Å; T208-C212 WeakPolarHBondContact O-CA 2.9Å; T208-K213 PolarHBondContact O-N 3.48Å; T208-E214 HydrophobicContact CG2-CB 3.62Å; T208-E214 PolarHBondContact N-O 3.42Å; T208-E214 WeakPolarHBondContact O-CB 3.48Å; T208-E214 PolarHBondContact O-N 2.85Å; T208-E214 VanDerWaalsContact O-N 3.14Å; T208-D215 WeakPolarHBondContact CG2-O 3.47Å
209G88.4Confident87.8Confident25 Ų2563.4 Ų63.426%0.25838%0.375SS..THydrogen-bonded Turntrans86.9169.9-176.200000113.2C203 E211 C212C203-G209 PolarHBondContact SG-O 2.66Å; C203-G209 VanDerWaalsContact SG-O 3.4Å; G209-E211 PolarHBondContact O-N 3.23Å; G209-C212 PolarHBondContact O-N 3.24Å
210T88.4Confident88Confident127 Ų12762.2 Ų62.278%0.77936%0.363SS*.THydrogen-bonded Turntrans-64.7-24.1-175.2510000113.8C201C201-T210 WeakPolarHBondContact CB-O 3.2Å; C201-T210 PolarHBondContact SG-O 3.17Å
211E89.2Confident87.9Confident75 Ų7566.4 Ų66.435%0.3538%0.377SS..THydrogen-bonded Turntrans-112.66.4178.4-62.9-174.2166.800113.1S186 G209 K213S186-E211 WeakPolarHBondContact CB-O 3.27Å; S186-E211 PolarHBondContact N-O 2.89Å; G209-E211 PolarHBondContact O-N 3.23Å; E211-K213 HydrophobicContact CB-CD 4.08Å; E211-K213 HydrophobicContact CB-CG 4.06Å; E211-K213 PolarHBondContact O-N 3.14Å; E211-K213 WeakPolarHBondContact OE2-CD 3.19Å; E211-K213 WeakPolarHBondContact OE2-CE 3.49Å; E211-K213 IonicContact OE2-NZ 2.64Å; E211-K213 PolarHBondContact OE2-NZ 2.85Å
212C89.7Confident87.7Confident0 Ų073.6 Ų73.60%041%0.407CS..THydrogen-bonded Turntrans54.437.8-176.7-46.10000113.3S186 C201 C203 T208 G209S186-C212 WeakPolarHBondContact CB-O 3.46Å; C201-C212 VanDerWaalsContact CB-SG 3.51Å; C203-C212 WeakPolarHBondContact CA-SG 3.5Å; C203-C212 HydrophobicContact CB-CB 3.76Å; C203-C212 WeakPolarHBondContact CB-SG 3.27Å; C203-C212 VanDerWaalsContact SG-CA 3.5Å; C203-C212 WeakPolarHBondContact SG-CB 3.42Å; C203-C212 CovalentContact SG-SG 2.04Å; C203-C212 PolarHBondContact SG-SG 3.33Å; T208-C212 CarbonylContact O-C 3.54Å; T208-C212 VanDerWaalsContact O-CA 3.23Å; T208-C212 WeakPolarHBondContact O-CA 2.9Å; G209-C212 PolarHBondContact O-N 3.24Å
213K87.4Confident87.5Confident123 Ų12372.8 Ų72.854%0.53540%0.398SS..  trans-101.6-13.1178.7-70.6180-179167.30112.8T208 E211T208-K213 PolarHBondContact O-N 3.48Å; E211-K213 HydrophobicContact CB-CD 4.08Å; E211-K213 HydrophobicContact CB-CG 4.06Å; E211-K213 PolarHBondContact O-N 3.14Å; E211-K213 WeakPolarHBondContact OE2-CD 3.19Å; E211-K213 WeakPolarHBondContact OE2-CE 3.49Å; E211-K213 IonicContact OE2-NZ 2.64Å; E211-K213 PolarHBondContact OE2-NZ 2.85Å
214E85.8Confident87.5Confident118 Ų11874.4 Ų74.455%0.55141%0.406SS*.EExtended strand (participates in β ladder)trans-94.9147.6-178.5-61.2169.4-165.900108.8S207 T208 L235S207-E214 CarbonylContact C-O 3.54Å; S207-E214 VanDerWaalsContact CA-O 3.31Å; S207-E214 WeakPolarHBondContact CA-O 3.3Å; T208-E214 HydrophobicContact CG2-CB 3.62Å; T208-E214 PolarHBondContact N-O 3.42Å; T208-E214 WeakPolarHBondContact O-CB 3.48Å; T208-E214 PolarHBondContact O-N 2.85Å; T208-E214 VanDerWaalsContact O-N 3.14Å; E214-L235 VanDerWaalsContact O-CD1 3.31Å; E214-L235 WeakPolarHBondContact O-CD1 3.13Å
215D87.3Confident87.8Confident26 Ų2670.9 Ų70.914%0.13939%0.388CS..EExtended strand (participates in β ladder)trans-80.5139.1172.4-158.8-24.5000110G206 T208 E217 L235 R236G206-D215 VanDerWaalsContact O-OD1 3.09Å; T208-D215 WeakPolarHBondContact CG2-O 3.47Å; D215-E217 VanDerWaalsContact C-N 3.31Å; D215-E217 VanDerWaalsContact CB-O 3.27Å; D215-E217 WeakPolarHBondContact CB-O 3.42Å; D215-E217 PolarHBondContact OD1-N 3.47Å; D215-L235 HydrophobicContact CB-CD1 4.08Å; D215-R236 WeakPolarHBondContact OD2-CA 3.09Å; D215-R236 PolarHBondContact OD2-N 3Å
216S86.7Confident88Confident64 Ų6467.3 Ų67.345%0.44837%0.366SS..SBendtrans-77.2-20.717157.30000112.8G206G206-S216 WeakPolarHBondContact CA-OG 3.39Å
217E85.5Confident88.1Confident136 Ų13675.9 Ų75.964%0.63639%0.393SS*.SBendtrans-119.9155.5178.9-62.1-174.2164.900110.1D215 N233D215-E217 VanDerWaalsContact C-N 3.31Å; D215-E217 VanDerWaalsContact CB-O 3.27Å; D215-E217 WeakPolarHBondContact CB-O 3.42Å; D215-E217 PolarHBondContact OD1-N 3.47Å; E217-N233 PolarHBondContact O-ND2 2.88Å
218N86.3Confident88.3Confident74 Ų7478.9 Ų78.940%0.39641%0.406SS..  trans-105.294.7175.5-178.811.3000108.9C220 E221N218-C220 PolarHBondContact O-N 3.18Å; N218-C220 VanDerWaalsContact O-N 3.08Å; N218-C220 WeakPolarHBondContact OD1-CB 3.39Å; N218-C220 PolarHBondContact OD1-N 3.02Å; N218-E221 HydrophobicContact CB-CG 4Å; N218-E221 WeakPolarHBondContact O-CB 3.37Å; N218-E221 WeakPolarHBondContact O-CG 3.46Å; N218-E221 PolarHBondContact O-N 3.18Å
219D86.2Confident88.4Confident48 Ų4877 Ų7726%0.25740%0.399SS..G310 helixtrans-61.4-20-179.1-72.6-49.7000112.5E221 V223 N233 R236 D237 F238D219-E221 PolarHBondContact O-N 3.37Å; D219-V223 VanDerWaalsContact O-CG2 3.28Å; D219-V223 WeakPolarHBondContact O-CG2 3.38Å; D219-N233 PolarHBondContact N-OD1 3.33Å; D219-R236 WeakPolarHBondContact OD2-CA 3.04Å; D219-D237 WeakPolarHBondContact OD2-CA 3.31Å; D219-D237 PolarHBondContact OD2-N 3.49Å; D219-F238 HydrophobicContact CB-CB 3.98Å; D219-F238 HydrophobicContact CB-CD1 4.3Å
220C89.6Confident88.7Confident24 Ų2483.2 Ų83.216%0.16242%0.419CS..G310 helixtrans-71.1-12.7174.4-69.70000114.4N218 Q222 V223 C231 N233N218-C220 PolarHBondContact O-N 3.18Å; N218-C220 VanDerWaalsContact O-N 3.08Å; N218-C220 WeakPolarHBondContact OD1-CB 3.39Å; N218-C220 PolarHBondContact OD1-N 3.02Å; C220-Q222 PolarHBondContact O-N 3Å; C220-V223 PolarHBondContact O-N 3.47Å; C220-C231 WeakPolarHBondContact CA-SG 3Å; C220-C231 HydrophobicContact CB-CB 3.67Å; C220-C231 WeakPolarHBondContact CB-SG 3.16Å; C220-C231 WeakPolarHBondContact SG-CB 3.4Å; C220-C231 CovalentContact SG-SG 2.03Å; C220-C231 PolarHBondContact SG-SG 3.49Å; C220-N233 PolarHBondContact SG-N 3.36Å
221E88.7Confident88.9Confident146 Ų14678.5 Ų78.568%0.68239%0.391SS*.G310 helixtrans-64.9-28.1179.6-73.2-174.8-179.800113N218 D219N218-E221 HydrophobicContact CB-CG 4Å; N218-E221 WeakPolarHBondContact O-CB 3.37Å; N218-E221 WeakPolarHBondContact O-CG 3.46Å; N218-E221 PolarHBondContact O-N 3.18Å; D219-E221 PolarHBondContact O-N 3.37Å
222Q86Confident89Confident180 Ų18078.1 Ų78.184%0.84139%0.389SS*.G310 helixtrans-106.67.4-179.7-61-66.4-52.400112.8C220C220-Q222 PolarHBondContact O-N 3Å
223V87.6Confident88.9Confident24 Ų2480.9 Ų80.915%0.14540%0.404CS..  trans-117.1125.6-172.11730000111.3D219 C220 F238 F250D219-V223 VanDerWaalsContact O-CG2 3.28Å; D219-V223 WeakPolarHBondContact O-CG2 3.38Å; C220-V223 PolarHBondContact O-N 3.47Å; V223-F238 HydrophobicContact CB-CD2 4.22Å; V223-F238 HydrophobicContact CB-CE2 4.27Å; V223-F238 HydrophobicContact CB-CG 4.44Å; V223-F238 HydrophobicContact CG1-CD2 3.58Å; V223-F238 HydrophobicContact CG1-CE2 3.44Å; V223-F238 VanDerWaalsContact CG1-CE2 3.44Å; V223-F238 HydrophobicContact CG1-CG 4.28Å; V223-F238 HydrophobicContact CG1-CZ 4.04Å; V223-F238 HydrophobicContact CG2-CD1 3.63Å; V223-F238 HydrophobicContact CG2-CD2 3.91Å; V223-F238 HydrophobicContact CG2-CE1 3.55Å; V223-F238 HydrophobicContact CG2-CE2 3.85Å; V223-F238 HydrophobicContact CG2-CG 3.8Å; V223-F238 HydrophobicContact CG2-CZ 3.66Å; V223-F250 HydrophobicContact CG1-CD1 4.18Å; V223-F250 HydrophobicContact CG1-CE1 4.06Å
224T88.7Confident88.9Confident82 Ų8279.1 Ų79.150%0.50340%0.396SS..  trans-113.2117.7168.9-56.90000109.5S226 Y227T224-S226 PolarHBondContact O-N 3.1Å; T224-Y227 HydrophobicContact CG2-CD1 4.27Å; T224-Y227 HydrophobicContact CG2-CD2 4.24Å; T224-Y227 HydrophobicContact CG2-CE1 3.99Å; T224-Y227 HydrophobicContact CG2-CE2 3.96Å; T224-Y227 HydrophobicContact CG2-CG 4.39Å
225C92.7Very high88.8Confident6 Ų675.8 Ų75.84%0.04138%0.381CS..  trans-77.951179.1-57.80000112.5Y227 H228 G229 C231 C240 F250C225-Y227 PolarHBondContact O-N 2.67Å; C225-H228 PolarHBondContact O-N 3.44Å; C225-G229 PolarHBondContact O-N 2.04Å; C225-C231 PolarHBondContact SG-N 2.88Å; C225-C240 VanDerWaalsContact CA-SG 3.54Å; C225-C240 HydrophobicContact CB-CB 3.67Å; C225-C240 WeakPolarHBondContact CB-SG 3.18Å; C225-C240 VanDerWaalsContact SG-CA 3.5Å; C225-C240 WeakPolarHBondContact SG-CB 3.24Å; C225-C240 CovalentContact SG-SG 2.03Å; C225-C240 PolarHBondContact SG-SG 2.88Å; C225-F250 CarbonylContact C-O 2.96Å; C225-F250 WeakPolarHBondContact CA-O 3.45Å
226S90.2Very high88.5Confident41 Ų4182.6 Ų82.629%0.28741%0.405SS..THydrogen-bonded Turntrans4823.6-177.2-51.20000114.9T224 H228 F250T224-S226 PolarHBondContact O-N 3.1Å; S226-H228 PolarHBondContact O-CD2 2.74Å; S226-H228 PolarHBondContact O-N 3.02Å; S226-H228 VanDerWaalsContact O-N 3.12Å; S226-F250 VanDerWaalsContact CB-O 3.23Å; S226-F250 WeakPolarHBondContact CB-O 3Å; S226-F250 PolarHBondContact N-O 3.3Å; S226-F250 PolarHBondContact OG-O 3.06Å
227Y88.5Confident88.5Confident201 Ų20184.1 Ų84.179%0.78841%0.408SS*.THydrogen-bonded Turntrans58.910.9-171.4-50.8-83.4000115.8T224 C225T224-Y227 HydrophobicContact CG2-CD1 4.27Å; T224-Y227 HydrophobicContact CG2-CD2 4.24Å; T224-Y227 HydrophobicContact CG2-CE1 3.99Å; T224-Y227 HydrophobicContact CG2-CE2 3.96Å; T224-Y227 HydrophobicContact CG2-CG 4.39Å; C225-Y227 PolarHBondContact O-N 2.67Å
228H91.3Very high88.7Confident75 Ų7580.1 Ų80.135%0.34739%0.389SS..SBendtrans-117.830.1-179.4-64.1-54.8000112.2C225 S226 D243 F246 C251C225-H228 PolarHBondContact O-N 3.44Å; S226-H228 PolarHBondContact O-CD2 2.74Å; S226-H228 PolarHBondContact O-N 3.02Å; S226-H228 VanDerWaalsContact O-N 3.12Å; H228-D243 VanDerWaalsContact C-OD2 3.24Å; H228-D243 PolarHBondContact O-N 3.28Å; H228-F246 HydrophobicContact CB-CB 4.19Å; H228-F246 HydrophobicContact CB-CD1 3.67Å; H228-F246 HydrophobicContact CB-CD2 3.91Å; H228-F246 HydrophobicContact CB-CE1 3.96Å; H228-F246 HydrophobicContact CB-CE2 4.18Å; H228-F246 HydrophobicContact CB-CG 3.64Å; H228-F246 HydrophobicContact CB-CZ 4.21Å; H228-F246 AromaticContact CD2-CD1 3.75Å; H228-F246 AromaticContact CD2-CE1 3.31Å; H228-F246 WeakPolarHBondContact CD2-CE1 3.18Å; H228-F246 AromaticContact CD2-CZ 3.8Å; H228-F246 AromaticContact CE1-CE1 3.87Å; H228-F246 AromaticContact CE1-CZ 3.57Å; H228-F246 AromaticContact CG-CD1 3.67Å; H228-F246 AromaticContact CG-CE1 3.42Å; H228-F246 VanDerWaalsContact CG-CE1 3.42Å; H228-F246 AromaticContact CG-CE2 3.95Å; H228-F246 AromaticContact CG-CZ 3.57Å; H228-F246 AromaticContact ND1-CE1 3.78Å; H228-F246 AromaticContact ND1-CE2 3.75Å; H228-F246 AromaticContact ND1-CZ 3.43Å; H228-F246 WeakPolarHBondContact ND1-CZ 2.91Å; H228-F246 AromaticContact NE2-CE1 3.61Å; H228-F246 AromaticContact NE2-CZ 3.79Å; H228-C251 HydrophobicContact CB-CB 4.27Å; H228-C251 WeakPolarHBondContact O-CB 2.89Å
229G93Very high89Confident22 Ų2283 Ų8323%0.22740%0.398CS..EExtended strand (participates in β ladder)trans-178.3171.3178.600000112.1C225 K241C225-G229 PolarHBondContact O-N 2.04Å; G229-K241 CarbonylContact C-O 3.5Å; G229-K241 WeakPolarHBondContact CA-O 3.32Å
230K94Very high89.4Confident156 Ų15681.2 Ų81.268%0.67839%0.389SS*.EExtended strand (participates in β ladder)trans-108.8128.8176.8-172.3176.2-179.3-179.10110E232 K241K230-E232 PolarHBondContact O-N 2.78Å; K230-K241 PolarHBondContact N-O 2.99Å; K230-K241 PolarHBondContact O-N 2.77Å
231C92.4Very high89.7Confident28 Ų2886.3 Ų86.319%0.18941%0.408CS..EExtended strand (participates in β ladder)trans-71.8128171.6-170.70000109.9C220 C225C220-C231 WeakPolarHBondContact CA-SG 3Å; C220-C231 HydrophobicContact CB-CB 3.67Å; C220-C231 WeakPolarHBondContact CB-SG 3.16Å; C220-C231 WeakPolarHBondContact SG-CB 3.4Å; C220-C231 CovalentContact SG-SG 2.03Å; C220-C231 PolarHBondContact SG-SG 3.49Å; C225-C231 PolarHBondContact SG-N 2.88Å
232E92.1Very high89.9Confident67 Ų6781.2 Ų81.231%0.31339%0.388SS..EExtended strand (participates in β ladder)trans-107.6118.5170.2-63.2-173.9172.700108.7K230 K234 K239 K241K230-E232 PolarHBondContact O-N 2.78Å; E232-K234 PolarHBondContact O-N 3.47Å; E232-K234 IonicContact OE2-NZ 2.79Å; E232-K234 PolarHBondContact OE2-NZ 3.14Å; E232-K239 WeakPolarHBondContact CB-O 3.32Å; E232-K239 PolarHBondContact N-O 3.42Å; E232-K239 PolarHBondContact O-N 3Å; E232-K241 HydrophobicContact CG-CB 4.46Å; E232-K241 WeakPolarHBondContact OE1-CD 3.44Å
233N87.3Confident90.3Very high58 Ų5876.4 Ų76.431%0.3137%0.369SS..EExtended strand (participates in β ladder)trans-63.3131.6173.2-160.942.5000108.9E217 D219 C220E217-N233 PolarHBondContact O-ND2 2.88Å; D219-N233 PolarHBondContact N-OD1 3.33Å; C220-N233 PolarHBondContact SG-N 3.36Å
234K86.3Confident90.6Very high86 Ų8681.5 Ų81.537%0.37440%0.402SS..EExtended strand (participates in β ladder)trans-117.4-179.1170.8-56.8-61.1172.9-162.20107.2E232 R236 D237 K239E232-K234 PolarHBondContact O-N 3.47Å; E232-K234 IonicContact OE2-NZ 2.79Å; E232-K234 PolarHBondContact OE2-NZ 3.14Å; K234-R236 PolarHBondContact O-N 2.93Å; K234-D237 CarbonylContact C-O 3.2Å; K234-D237 WeakPolarHBondContact CA-O 3.4Å; K234-D237 HydrophobicContact CB-CB 4.16Å; K234-D237 VanDerWaalsContact CB-O 3.27Å; K234-D237 WeakPolarHBondContact CB-O 3.42Å; K234-D237 PolarHBondContact N-O 3.27Å; K234-D237 VanDerWaalsContact O-O 3.05Å; K234-K239 HydrophobicContact CG-CB 4.21Å
235L84.6Confident90.7Very high47 Ų4779.5 Ų79.525%0.24640%0.398CS..THydrogen-bonded Turntrans-81.8111.8-179.3-179.760.4000109.6N188 G206 E214 D215 D237N188-L235 HydrophobicContact CB-CD2 4.11Å; N188-L235 WeakPolarHBondContact ND2-CD2 3.23Å; G206-L235 WeakPolarHBondContact O-CD1 2.94Å; E214-L235 VanDerWaalsContact O-CD1 3.31Å; E214-L235 WeakPolarHBondContact O-CD1 3.13Å; D215-L235 HydrophobicContact CB-CD1 4.08Å; L235-D237 PolarHBondContact O-N 3.4Å
236R81.1Confident90.7Very high170 Ų17082.1 Ų82.164%0.64241%0.409SS*.THydrogen-bonded Turntrans54.729.5-174.4-57178.155.1-148-8.2112.8G206 D215 D219 K234G206-R236 WeakPolarHBondContact O-CG 3.05Å; D215-R236 WeakPolarHBondContact OD2-CA 3.09Å; D215-R236 PolarHBondContact OD2-N 3Å; D219-R236 WeakPolarHBondContact OD2-CA 3.04Å; K234-R236 PolarHBondContact O-N 2.93Å
237D86.1Confident90.8Very high96 Ų9682.6 Ų82.651%0.51341%0.41SS..EExtended strand (participates in β ladder)trans-161.1169-179.3-162.88.6000109.6D219 K234 L235D219-D237 WeakPolarHBondContact OD2-CA 3.31Å; D219-D237 PolarHBondContact OD2-N 3.49Å; K234-D237 CarbonylContact C-O 3.2Å; K234-D237 WeakPolarHBondContact CA-O 3.4Å; K234-D237 HydrophobicContact CB-CB 4.16Å; K234-D237 VanDerWaalsContact CB-O 3.27Å; K234-D237 WeakPolarHBondContact CB-O 3.42Å; K234-D237 PolarHBondContact N-O 3.27Å; K234-D237 VanDerWaalsContact O-O 3.05Å; L235-D237 PolarHBondContact O-N 3.4Å
238F89.1Confident90.9Very high52 Ų5274.6 Ų74.623%0.22839%0.388CS..EExtended strand (participates in β ladder)trans-131.9160.4171.168.7-87.1000110.5D219 V223 F250D219-F238 HydrophobicContact CB-CB 3.98Å; D219-F238 HydrophobicContact CB-CD1 4.3Å; V223-F238 HydrophobicContact CB-CD2 4.22Å; V223-F238 HydrophobicContact CB-CE2 4.27Å; V223-F238 HydrophobicContact CB-CG 4.44Å; V223-F238 HydrophobicContact CG1-CD2 3.58Å; V223-F238 HydrophobicContact CG1-CE2 3.44Å; V223-F238 VanDerWaalsContact CG1-CE2 3.44Å; V223-F238 HydrophobicContact CG1-CG 4.28Å; V223-F238 HydrophobicContact CG1-CZ 4.04Å; V223-F238 HydrophobicContact CG2-CD1 3.63Å; V223-F238 HydrophobicContact CG2-CD2 3.91Å; V223-F238 HydrophobicContact CG2-CE1 3.55Å; V223-F238 HydrophobicContact CG2-CE2 3.85Å; V223-F238 HydrophobicContact CG2-CG 3.8Å; V223-F238 HydrophobicContact CG2-CZ 3.66Å; F238-F250 HydrophobicContact CE2-CD1 4.25Å; F238-F250 AromaticContact CE2-CE1 3.69Å; F238-F250 HydrophobicContact CE2-CE1 3.69Å; F238-F250 HydrophobicContact CE2-CZ 4.26Å; F238-F250 HydrophobicContact CZ-CD1 4.46Å; F238-F250 AromaticContact CZ-CE1 3.5Å; F238-F250 HydrophobicContact CZ-CE1 3.5Å; F238-F250 VanDerWaalsContact CZ-CE1 3.5Å; F238-F250 AromaticContact CZ-CZ 3.73Å; F238-F250 HydrophobicContact CZ-CZ 3.73Å
239K92.7Very high91Very high133 Ų13377.4 Ų77.458%0.57841%0.406SS*.EExtended strand (participates in β ladder)trans-136.6124.5171.3-172.1172.1-176.91730111.2E232 K234 K241E232-K239 WeakPolarHBondContact CB-O 3.32Å; E232-K239 PolarHBondContact N-O 3.42Å; E232-K239 PolarHBondContact O-N 3Å; K234-K239 HydrophobicContact CG-CB 4.21Å; K239-K241 PolarHBondContact O-N 2.88Å
240C94.5Very high91Very high11 Ų1180.5 Ų80.57%0.07441%0.413CS..EExtended strand (participates in β ladder)trans-76.5118.7168.4-70.50000110.5C225 C242 N249C225-C240 VanDerWaalsContact CA-SG 3.54Å; C225-C240 HydrophobicContact CB-CB 3.67Å; C225-C240 WeakPolarHBondContact CB-SG 3.18Å; C225-C240 VanDerWaalsContact SG-CA 3.5Å; C225-C240 WeakPolarHBondContact SG-CB 3.24Å; C225-C240 CovalentContact SG-SG 2.03Å; C225-C240 PolarHBondContact SG-SG 2.88Å; C240-C242 PolarHBondContact O-N 3.39Å; C240-N249 WeakPolarHBondContact CB-O 3.26Å
241K96.1Very high91Very high131 Ų13173 Ų7357%0.5738%0.381SS*.EExtended strand (participates in β ladder)trans-86.4103.1167.1-176.1177.2-179.1177.20108.7G229 K230 E232 K239G229-K241 CarbonylContact C-O 3.5Å; G229-K241 WeakPolarHBondContact CA-O 3.32Å; K230-K241 PolarHBondContact N-O 2.99Å; K230-K241 PolarHBondContact O-N 2.77Å; E232-K241 HydrophobicContact CG-CB 4.46Å; E232-K241 WeakPolarHBondContact OE1-CD 3.44Å; K239-K241 PolarHBondContact O-N 2.88Å
242C94.4Very high91Very high39 Ų3976.5 Ų76.526%0.26440%0.395SS..EExtended strand (participates in β ladder)trans-72.9144.8-176.6-53.60000113C240 F246 C251C240-C242 PolarHBondContact O-N 3.39Å; C242-F246 HydrophobicContact CB-CB 4.24Å; C242-F246 WeakPolarHBondContact CB-O 3.46Å; C242-C251 WeakPolarHBondContact CA-SG 3.46Å; C242-C251 HydrophobicContact CB-CB 3.7Å; C242-C251 WeakPolarHBondContact CB-SG 3.18Å; C242-C251 PolarHBondContact N-SG 2.86Å; C242-C251 WeakPolarHBondContact SG-CA 3.24Å; C242-C251 WeakPolarHBondContact SG-CB 3.19Å; C242-C251 CovalentContact SG-SG 2.04Å; C242-C251 PolarHBondContact SG-SG 3.36Å
243D94Very high90.9Very high79 Ų7977.8 Ų77.842%0.42240%0.403SS..PPolyproline II helixtrans-65.6153.5169.7-66.7-33.6000110.4H228 G245 F246H228-D243 VanDerWaalsContact C-OD2 3.24Å; H228-D243 PolarHBondContact O-N 3.28Å; D243-G245 PolarHBondContact O-N 3.1Å; D243-F246 HydrophobicContact CB-CD2 4.33Å; D243-F246 PolarHBondContact O-N 3.12Å
244P93.1Very high90.9Very high131 Ų13176.7 Ų76.785%0.85141%0.405SS*.THydrogen-bonded Turntrans-53127.6176.9-26.234.9000112.1
245G91.1Very high90.4Very high40 Ų4079.7 Ų79.741%0.41242%0.418SS..THydrogen-bonded Turntrans96.5-9.6-177.900000114.5D243 K255D243-G245 PolarHBondContact O-N 3.1Å; G245-K255 WeakPolarHBondContact O-CB 3.49Å; G245-K255 PolarHBondContact O-N 3.22Å
246F92.5Very high89.8Confident62 Ų6283 Ų8327%0.27244%0.44SS..EExtended strand (participates in β ladder)trans-109.4148.3174.1-65.7-92.4000111.4H228 C242 D243 C251 I253H228-F246 HydrophobicContact CB-CB 4.19Å; H228-F246 HydrophobicContact CB-CD1 3.67Å; H228-F246 HydrophobicContact CB-CD2 3.91Å; H228-F246 HydrophobicContact CB-CE1 3.96Å; H228-F246 HydrophobicContact CB-CE2 4.18Å; H228-F246 HydrophobicContact CB-CG 3.64Å; H228-F246 HydrophobicContact CB-CZ 4.21Å; H228-F246 AromaticContact CD2-CD1 3.75Å; H228-F246 AromaticContact CD2-CE1 3.31Å; H228-F246 WeakPolarHBondContact CD2-CE1 3.18Å; H228-F246 AromaticContact CD2-CZ 3.8Å; H228-F246 AromaticContact CE1-CE1 3.87Å; H228-F246 AromaticContact CE1-CZ 3.57Å; H228-F246 AromaticContact CG-CD1 3.67Å; H228-F246 AromaticContact CG-CE1 3.42Å; H228-F246 VanDerWaalsContact CG-CE1 3.42Å; H228-F246 AromaticContact CG-CE2 3.95Å; H228-F246 AromaticContact CG-CZ 3.57Å; H228-F246 AromaticContact ND1-CE1 3.78Å; H228-F246 AromaticContact ND1-CE2 3.75Å; H228-F246 AromaticContact ND1-CZ 3.43Å; H228-F246 WeakPolarHBondContact ND1-CZ 2.91Å; H228-F246 AromaticContact NE2-CE1 3.61Å; H228-F246 AromaticContact NE2-CZ 3.79Å; C242-F246 HydrophobicContact CB-CB 4.24Å; C242-F246 WeakPolarHBondContact CB-O 3.46Å; D243-F246 HydrophobicContact CB-CD2 4.33Å; D243-F246 PolarHBondContact O-N 3.12Å; F246-C251 HydrophobicContact CB-CB 4.26Å; F246-I253 CarbonylContact C-O 3.55Å; F246-I253 WeakPolarHBondContact CA-O 3.49Å
247T92.8Very high88.6Confident50 Ų5083.8 Ų83.831%0.30745%0.448SS..EExtended strand (participates in β ladder)trans-146.2170.5-179.9520000110.4C251 E252 I253T247-C251 CarbonylContact O-C 3.4Å; T247-C251 WeakPolarHBondContact O-CA 3.42Å; T247-E252 PolarHBondContact O-N 3.26Å; T247-I253 PolarHBondContact N-O 3.23Å; T247-I253 WeakPolarHBondContact O-CA 3.43Å; T247-I253 WeakPolarHBondContact O-CB 3.32Å; T247-I253 PolarHBondContact O-N 3.45Å; T247-I253 PolarHBondContact OG1-O 2.88Å
248G91Very high86.8Confident33 Ų3387.4 Ų87.434%0.3446%0.462SS..SBendtrans108.8169.8-173.800000112F250 C251G248-F250 VanDerWaalsContact C-N 3.25Å; G248-F250 PolarHBondContact O-N 2.84Å; G248-C251 PolarHBondContact O-N 3.01Å
249N91.8Very high84.8Confident134 Ų13489.1 Ų89.172%0.71748%0.478SS*.THydrogen-bonded Turntrans-71.3-25.4-178.7-71.8-16000111.9C240 E252C240-N249 WeakPolarHBondContact CB-O 3.26Å; N249-E252 PolarHBondContact N-OE2 3.21Å
250F94.1Very high82.6Confident87 Ų8790.5 Ų90.538%0.38249%0.491SS..THydrogen-bonded Turntrans-11918.2177-61-85.7000111.9V223 C225 S226 F238 G248 E252V223-F250 HydrophobicContact CG1-CD1 4.18Å; V223-F250 HydrophobicContact CG1-CE1 4.06Å; C225-F250 CarbonylContact C-O 2.96Å; C225-F250 WeakPolarHBondContact CA-O 3.45Å; S226-F250 VanDerWaalsContact CB-O 3.23Å; S226-F250 WeakPolarHBondContact CB-O 3Å; S226-F250 PolarHBondContact N-O 3.3Å; S226-F250 PolarHBondContact OG-O 3.06Å; F238-F250 HydrophobicContact CE2-CD1 4.25Å; F238-F250 AromaticContact CE2-CE1 3.69Å; F238-F250 HydrophobicContact CE2-CE1 3.69Å; F238-F250 HydrophobicContact CE2-CZ 4.26Å; F238-F250 HydrophobicContact CZ-CD1 4.46Å; F238-F250 AromaticContact CZ-CE1 3.5Å; F238-F250 HydrophobicContact CZ-CE1 3.5Å; F238-F250 VanDerWaalsContact CZ-CE1 3.5Å; F238-F250 AromaticContact CZ-CZ 3.73Å; F238-F250 HydrophobicContact CZ-CZ 3.73Å; G248-F250 VanDerWaalsContact C-N 3.25Å; G248-F250 PolarHBondContact O-N 2.84Å; F250-E252 VanDerWaalsContact CA-OE2 3.28Å; F250-E252 WeakPolarHBondContact CA-OE2 3.49Å; F250-E252 WeakPolarHBondContact CB-OE2 3.43Å; F250-E252 PolarHBondContact N-OE2 3.03Å; F250-E252 PolarHBondContact O-N 2.98Å
251C93.9Very high80.3Confident0 Ų094.6 Ų94.60%052%0.52CS..SBendtrans58.331.5-178.6-48.20000114.3H228 C242 F246 T247 G248H228-C251 HydrophobicContact CB-CB 4.27Å; H228-C251 WeakPolarHBondContact O-CB 2.89Å; C242-C251 WeakPolarHBondContact CA-SG 3.46Å; C242-C251 HydrophobicContact CB-CB 3.7Å; C242-C251 WeakPolarHBondContact CB-SG 3.18Å; C242-C251 PolarHBondContact N-SG 2.86Å; C242-C251 WeakPolarHBondContact SG-CA 3.24Å; C242-C251 WeakPolarHBondContact SG-CB 3.19Å; C242-C251 CovalentContact SG-SG 2.04Å; C242-C251 PolarHBondContact SG-SG 3.36Å; F246-C251 HydrophobicContact CB-CB 4.26Å; T247-C251 CarbonylContact O-C 3.4Å; T247-C251 WeakPolarHBondContact O-CA 3.42Å; G248-C251 PolarHBondContact O-N 3.01Å
252E92.7Very high77.6Confident101 Ų10196.3 Ų96.347%0.47253%0.53SS..  trans-81.9-16.7-17470.1-75.3179.400114.1T247 N249 F250T247-E252 PolarHBondContact O-N 3.26Å; N249-E252 PolarHBondContact N-OE2 3.21Å; F250-E252 VanDerWaalsContact CA-OE2 3.28Å; F250-E252 WeakPolarHBondContact CA-OE2 3.49Å; F250-E252 WeakPolarHBondContact CB-OE2 3.43Å; F250-E252 PolarHBondContact N-OE2 3.03Å; F250-E252 PolarHBondContact O-N 2.98Å
253I90.4Very high75.5Confident94 Ų94100.4 Ų100.448%0.48255%0.554SS.*EExtended strand (participates in β ladder)trans-100.298.9-176.3-51175.7000109.5F246 T247F246-I253 CarbonylContact C-O 3.55Å; F246-I253 WeakPolarHBondContact CA-O 3.49Å; T247-I253 PolarHBondContact N-O 3.23Å; T247-I253 WeakPolarHBondContact O-CA 3.43Å; T247-I253 WeakPolarHBondContact O-CB 3.32Å; T247-I253 PolarHBondContact O-N 3.45Å; T247-I253 PolarHBondContact OG1-O 2.88Å
254G86.1Confident73.4Confident34 Ų34104.7 Ų104.735%0.35158%0.575SS.*EExtended strand (participates in β ladder)trans-75.1126.9169.300000111.2T256G254-T256 PolarHBondContact O-N 2.8Å
255K77Confident71.2Confident149 Ų149106.3 Ų106.365%0.64858%0.577SS**  trans-75.180.2167.2-65.5-175.8-179.5179.40108.1G245 F257G245-K255 WeakPolarHBondContact O-CB 3.49Å; G245-K255 PolarHBondContact O-N 3.22Å; K255-F257 PolarHBondContact O-N 3.09Å
256T71.1Confident68.9Low117 Ų117107.9 Ų107.972%0.71859%0.586SS**  trans-55117159.936.20000107.2G254 Q258G254-T256 PolarHBondContact O-N 2.8Å; T256-Q258 PolarHBondContact O-N 2.96Å
257F56.8Low67Low186 Ų186119.8 Ų119.882%0.81663%0.632SS**  trans-51104169.1-150.9-102.7000106.3K255 P259K255-F257 PolarHBondContact O-N 3.09Å; F257-P259 HydrophobicContact CD1-CB 4.12Å; F257-P259 HydrophobicContact CD1-CG 3.81Å; F257-P259 HydrophobicContact CE1-CB 4.11Å; F257-P259 HydrophobicContact CE1-CG 4.22Å; F257-P259 WeakPolarHBondContact O-CD 3.47Å
258Q47.9Very low65.7Low173 Ų173123.3 Ų123.381%0.80865%0.648SS**  trans-96.289.7165.5-80.2-171.5-23.100106.6T256 L260T256-Q258 PolarHBondContact O-N 2.96Å; Q258-L260 VanDerWaalsContact C-N 3.26Å; Q258-L260 PolarHBondContact O-N 3.01Å
259P47.2Very low64.3Low87 Ų87128.1 Ų128.157%0.56566%0.664SS**  trans-8285.3161.634.8-27.7000106.4F257F257-P259 HydrophobicContact CD1-CB 4.12Å; F257-P259 HydrophobicContact CD1-CG 3.81Å; F257-P259 HydrophobicContact CE1-CB 4.11Å; F257-P259 HydrophobicContact CE1-CG 4.22Å; F257-P259 WeakPolarHBondContact O-CD 3.47Å
260L46.6Very low62.8Low162 Ų162127.7 Ų127.785%0.84866%0.661SS**  trans-137.453.6161.8-71.2177.1000109.5Q258Q258-L260 VanDerWaalsContact C-N 3.26Å; Q258-L260 PolarHBondContact O-N 3.01Å
261S44.7Very low61Low98 Ų98130.1 Ų130.169%0.68568%0.678SS**  trans-94.9137.9141.458.60000106.9
262H40.8Very low58.9Low166 Ų166138.3 Ų138.377%0.76972%0.72SS**  trans79.390.7-164.7-54.8-82.7000113.8
263V49.6Very low56.7Low126 Ų126140.7 Ų140.776%0.76474%0.736SS**  -161.493.697.9-175.50000107.5
264L49.4Very low54.3Low168 Ų168144.1 Ų144.188%0.8876%0.755SS**  trans-142.759.7159.2-75.5-178.1000108.5
265D48.5Very low51.8Low165 Ų165152.5 Ų152.588%0.88279%0.786SS**  trans-144.769162.5-75.4-44.4000107.8
266A42.4Very low49.7Very low73 Ų73152.8 Ų152.860%0.60380%0.797SS**  trans-1559716600000108
267Y51.6Low47.8Very low313 Ų313156.1 Ų156.1100%1.22780%0.804SS**  trans174.60130.1-83.1-62.8000108.2

Retrieved 267 of 267 residues in 326.6 ms (Link to these results)