A0A077ZND3_TRITR Loading...

tRNA-synt 1c domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZND3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 120 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
1M81.3Confident91.8Very high120 Ų120123.7 Ų123.759%0.59159%0.59SS**  0-63.10-66.9-58.3-74.500110.1D3 L4 E5 W14M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 3.34Å; M1-L4 PolarHBondContact O-N 3.33Å; M1-E5 PolarHBondContact O-N 3.15Å; M1-W14 HydrophobicContact CE-CD2 4.16Å; M1-W14 HydrophobicContact CE-CH2 3.88Å; M1-W14 HydrophobicContact CE-CZ2 3.37Å; M1-W14 HydrophobicContact CE-CZ3 4.45Å; M1-W14 HydrophobicContact SD-CD2 4.04Å; M1-W14 HydrophobicContact SD-CE3 3.85Å; M1-W14 HydrophobicContact SD-CH2 3.2Å; M1-W14 WeakPolarHBondContact SD-CH2 3.2Å; M1-W14 HydrophobicContact SD-CZ2 3.41Å; M1-W14 WeakPolarHBondContact SD-CZ2 3.4Å; M1-W14 HydrophobicContact SD-CZ3 3.45Å; M1-W14 WeakPolarHBondContact SD-CZ3 3.4Å
2R87.6Confident91.9Very high198 Ų198128.1 Ų128.175%0.74762%0.62SS**Hα-helixtrans-51.7-42.9-179.2-163.7172.4-174169.81.2114.4L4 E5 M6R2-L4 PolarHBondContact O-N 3.05Å; R2-E5 PolarHBondContact O-N 2.91Å; R2-M6 WeakPolarHBondContact O-CG 3.41Å; R2-M6 PolarHBondContact O-N 3.39Å
3D94.4Very high92Very high108 Ų108127.9 Ų127.958%0.57862%0.62SS**Hα-helixtrans-67.1-36.6179.2-51.9-38.8000113.3M1 M6 L7M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 3.34Å; D3-M6 HydrophobicContact CB-CE 4.29Å; D3-M6 PolarHBondContact O-N 3.36Å; D3-M6 WeakPolarHBondContact OD1-CE 3.39Å; D3-L7 WeakPolarHBondContact O-CG 3.45Å; D3-L7 PolarHBondContact O-N 2.95Å; D3-L7 VanDerWaalsContact O-N 3.11Å
4L93.3Very high91.9Very high63 Ų63128.4 Ų128.433%0.3361%0.612SS.*Hα-helixtrans-69.9-36.7177.4-66.3170.5000110.9M1 R2 L7 Q8 I9 W14M1-L4 PolarHBondContact O-N 3.33Å; R2-L4 PolarHBondContact O-N 3.05Å; L4-L7 CarbonylContact O-C 3.59Å; L4-L7 PolarHBondContact O-N 3.17Å; L4-Q8 PolarHBondContact O-N 3.32Å; L4-I9 HydrophobicContact CB-CB 4.43Å; L4-I9 HydrophobicContact CD2-CB 4.34Å; L4-I9 HydrophobicContact CD2-CD1 3.9Å; L4-I9 HydrophobicContact CD2-CG2 4.4Å; L4-I9 PolarHBondContact O-N 2.86Å; L4-W14 HydrophobicContact CD1-CH2 3.5Å; L4-W14 HydrophobicContact CD1-CZ3 3.94Å
5E91.2Very high92Very high127 Ų127123.8 Ų123.859%0.59360%0.599SS**Hα-helixtrans-63.6-41.9172.2-71.1169.3-174.400112M1 R2 L7 Q8M1-E5 PolarHBondContact O-N 3.15Å; R2-E5 PolarHBondContact O-N 2.91Å; E5-L7 VanDerWaalsContact C-N 3.27Å; E5-L7 PolarHBondContact O-N 3.38Å; E5-Q8 WeakPolarHBondContact O-CA 3.3Å; E5-Q8 PolarHBondContact O-N 3.11Å
6M94.9Very high92.1Very high130 Ų130124.6 Ų124.664%0.6459%0.594SS**Hα-helixtrans-61-37.5175.6-71.8-167.4-58.400112.2R2 D3 Q8R2-M6 WeakPolarHBondContact O-CG 3.41Å; R2-M6 PolarHBondContact O-N 3.39Å; D3-M6 HydrophobicContact CB-CE 4.29Å; D3-M6 PolarHBondContact O-N 3.36Å; D3-M6 WeakPolarHBondContact OD1-CE 3.39Å; M6-Q8 PolarHBondContact O-N 3.35Å
7L96.7Very high92.2Very high123 Ų123123.1 Ų123.164%0.64459%0.594SS**THydrogen-bonded Turntrans-79.82.8175.1-64.2175000113.2D3 L4 E5 I9D3-L7 WeakPolarHBondContact O-CG 3.45Å; D3-L7 PolarHBondContact O-N 2.95Å; D3-L7 VanDerWaalsContact O-N 3.11Å; L4-L7 CarbonylContact O-C 3.59Å; L4-L7 PolarHBondContact O-N 3.17Å; E5-L7 VanDerWaalsContact C-N 3.27Å; E5-L7 PolarHBondContact O-N 3.38Å; L7-I9 HydrophobicContact CB-CD1 3.87Å; L7-I9 HydrophobicContact CB-CG1 3.91Å; L7-I9 HydrophobicContact CD1-CD1 4.1Å; L7-I9 PolarHBondContact O-N 2.89Å; L7-I9 VanDerWaalsContact O-N 3.15Å
8Q93.7Very high92.3Very high165 Ų165116.9 Ų116.977%0.77157%0.566SS**THydrogen-bonded Turntrans56.425.4-176.6-53.5-178.62.900113.6L4 E5 M6 K10L4-Q8 PolarHBondContact O-N 3.32Å; E5-Q8 WeakPolarHBondContact O-CA 3.3Å; E5-Q8 PolarHBondContact O-N 3.11Å; M6-Q8 PolarHBondContact O-N 3.35Å; Q8-K10 PolarHBondContact O-N 2.7Å
9I94Very high92.4Very high89 Ų89114.9 Ų114.946%0.45656%0.559SS.*  trans-79.8112.9176.1-62.1173000107.9L4 L7 P11L4-I9 HydrophobicContact CB-CB 4.43Å; L4-I9 HydrophobicContact CD2-CB 4.34Å; L4-I9 HydrophobicContact CD2-CD1 3.9Å; L4-I9 HydrophobicContact CD2-CG2 4.4Å; L4-I9 PolarHBondContact O-N 2.86Å; L7-I9 HydrophobicContact CB-CD1 3.87Å; L7-I9 HydrophobicContact CB-CG1 3.91Å; L7-I9 HydrophobicContact CD1-CD1 4.1Å; L7-I9 PolarHBondContact O-N 2.89Å; L7-I9 VanDerWaalsContact O-N 3.15Å; I9-P11 WeakPolarHBondContact O-CD 3.45Å
10K91.1Very high92.6Very high188 Ų188113.4 Ų113.482%0.81755%0.547SS*.  trans-111.394.3176.9-64.9-178.1-176177.90109.4Q8Q8-K10 PolarHBondContact O-N 2.7Å
11P91.2Very high92.7Very high50 Ų50110.7 Ų110.733%0.32553%0.533SS..  trans-71.9142.8176.928.5-31.8000110.6I9 M13 W14I9-P11 WeakPolarHBondContact O-CD 3.45Å; P11-M13 PolarHBondContact O-N 2.99Å; P11-W14 HydrophobicContact CG-CD2 3.94Å; P11-W14 HydrophobicContact CG-CE3 4.34Å; P11-W14 HydrophobicContact CG-CH2 3.71Å; P11-W14 HydrophobicContact CG-CZ2 3.23Å; P11-W14 HydrophobicContact CG-CZ3 4.24Å
12D94.1Very high93.3Very high176 Ų176111.4 Ų111.494%0.94154%0.535SS*.SBendtrans-64-32176.2-56.6-83.2000112.4
13M93.2Very high93.8Very high126 Ų126107.3 Ų107.362%0.62152%0.524SS*.  trans-140.7131.6-179.3-173.7177.168.200111.7P11P11-M13 PolarHBondContact O-N 2.99Å
14W90.1Very high93.8Very high134 Ų134105.7 Ų105.751%0.50852%0.515SS..  trans-92.2122.1164.5-67.898.5000109.6M1 L4 P11M1-W14 HydrophobicContact CE-CD2 4.16Å; M1-W14 HydrophobicContact CE-CH2 3.88Å; M1-W14 HydrophobicContact CE-CZ2 3.37Å; M1-W14 HydrophobicContact CE-CZ3 4.45Å; M1-W14 HydrophobicContact SD-CD2 4.04Å; M1-W14 HydrophobicContact SD-CE3 3.85Å; M1-W14 HydrophobicContact SD-CH2 3.2Å; M1-W14 WeakPolarHBondContact SD-CH2 3.2Å; M1-W14 HydrophobicContact SD-CZ2 3.41Å; M1-W14 WeakPolarHBondContact SD-CZ2 3.4Å; M1-W14 HydrophobicContact SD-CZ3 3.45Å; M1-W14 WeakPolarHBondContact SD-CZ3 3.4Å; L4-W14 HydrophobicContact CD1-CH2 3.5Å; L4-W14 HydrophobicContact CD1-CZ3 3.94Å; P11-W14 HydrophobicContact CG-CD2 3.94Å; P11-W14 HydrophobicContact CG-CE3 4.34Å; P11-W14 HydrophobicContact CG-CH2 3.71Å; P11-W14 HydrophobicContact CG-CZ2 3.23Å; P11-W14 HydrophobicContact CG-CZ3 4.24Å
15S93.7Very high93.9Very high60 Ų60103.8 Ų103.842%0.4251%0.505SS..  trans-134.3163171.669.20000110.4
16R92.9Very high94.2Very high137 Ų13799.2 Ų99.252%0.51749%0.492SS..  trans-128.8144.4169.6-51.1-171.6-170.560.12108S18 D19 R114R16-S18 PolarHBondContact O-N 3.03Å; R16-D19 PolarHBondContact N-OD2 3.07Å; R16-D19 VanDerWaalsContact O-CB 3.3Å; R16-D19 WeakPolarHBondContact O-CB 3.18Å; R16-D19 PolarHBondContact O-N 2.99Å; R16-R114 VanDerWaalsContact NH1-NH1 3.19Å
17T94.1Very high94.3Very high99 Ų99100.3 Ų100.361%0.60749%0.49SS*.G310 helixtrans-55-31.3178.8-45.70000112.6D19 Y20 F21 I24T17-D19 PolarHBondContact O-N 3.47Å; T17-Y20 PolarHBondContact O-N 3.44Å; T17-F21 HydrophobicContact CG2-CE1 4.34Å; T17-F21 WeakPolarHBondContact O-CD1 3.31Å; T17-I24 HydrophobicContact CG2-CD1 4.07Å
18S94.4Very high94.3Very high12 Ų1294.7 Ų94.78%0.08446%0.461CS..G310 helixtrans-65.2-21.7176.445.70000115R16 Y20 F21 H112R16-S18 PolarHBondContact O-N 3.03Å; S18-Y20 PolarHBondContact O-N 2.95Å; S18-F21 PolarHBondContact O-N 2.87Å; S18-H112 WeakPolarHBondContact CB-CE1 3.33Å; S18-H112 PolarHBondContact OG-CE1 3.21Å
19D93.9Very high94.4Very high79 Ų7990.7 Ų90.742%0.42244%0.442SS..G310 helixtrans-65.9-19.4172.1-61-49.1000111.2R16 T17 R114R16-D19 PolarHBondContact N-OD2 3.07Å; R16-D19 VanDerWaalsContact O-CB 3.3Å; R16-D19 WeakPolarHBondContact O-CB 3.18Å; R16-D19 PolarHBondContact O-N 2.99Å; T17-D19 PolarHBondContact O-N 3.47Å; D19-R114 IonicContact OD1-CZ 2.68Å; D19-R114 IonicContact OD1-NH1 2.7Å; D19-R114 PolarHBondContact OD1-NH1 3.15Å; D19-R114 IonicContact OD1-NH2 2.86Å; D19-R114 PolarHBondContact OD1-NH2 3.38Å; D19-R114 IonicContact OD2-CZ 3.09Å; D19-R114 IonicContact OD2-NH1 2.89Å; D19-R114 PolarHBondContact OD2-NH1 3.03Å; D19-R114 IonicContact OD2-NH2 3.96Å
20Y96.1Very high94.6Very high84 Ų8491 Ų9133%0.32944%0.444SS..G310 helixtrans-110.98.3-176.2-54.1-75.4000113.9T17 S18 E22 Q23 I24T17-Y20 PolarHBondContact O-N 3.44Å; S18-Y20 PolarHBondContact O-N 2.95Å; Y20-E22 PolarHBondContact O-N 3.39Å; Y20-Q23 VanDerWaalsContact CD1-OE1 3.27Å; Y20-Q23 PolarHBondContact O-N 3.35Å; Y20-I24 WeakPolarHBondContact O-CG1 3.27Å; Y20-I24 PolarHBondContact O-N 2.94Å
21F95.3Very high94.8Very high56 Ų5684.2 Ų84.225%0.24642%0.417CS..Hα-helixtrans-58-35.5-177.5-77.3-12000113.6T17 S18 I24 L25 Y119T17-F21 HydrophobicContact CG2-CE1 4.34Å; T17-F21 WeakPolarHBondContact O-CD1 3.31Å; S18-F21 PolarHBondContact O-N 2.87Å; F21-I24 HydrophobicContact CD1-CD1 4.34Å; F21-I24 PolarHBondContact O-N 3.4Å; F21-L25 WeakPolarHBondContact O-CB 3.37Å; F21-L25 VanDerWaalsContact O-CG 3.31Å; F21-L25 WeakPolarHBondContact O-CG 3.48Å; F21-L25 PolarHBondContact O-N 3.21Å; F21-Y119 HydrophobicContact CB-CD2 4.17Å; F21-Y119 HydrophobicContact CB-CE1 4.37Å; F21-Y119 HydrophobicContact CB-CE2 3.71Å; F21-Y119 AromaticContact CD2-CD2 3.6Å; F21-Y119 HydrophobicContact CD2-CD2 3.6Å; F21-Y119 AromaticContact CD2-CE2 3.79Å; F21-Y119 HydrophobicContact CD2-CE2 3.79Å; F21-Y119 HydrophobicContact CD2-CG 4.36Å; F21-Y119 HydrophobicContact CE2-CD2 4.49Å; F21-Y119 HydrophobicContact CG-CD2 4.38Å; F21-Y119 HydrophobicContact CG-CE2 4.28Å
22E94.5Very high95.1Very high135 Ų13581.9 Ų81.963%0.63140%0.402SS*.Hα-helixtrans-63.3-42.9176.2-174.8165.1176.400112Y20 L25 G26 K118Y20-E22 PolarHBondContact O-N 3.39Å; E22-L25 PolarHBondContact O-N 3.24Å; E22-G26 PolarHBondContact O-N 2.93Å; E22-K118 IonicContact OE2-NZ 3.91Å
23Q96.2Very high95.2Very high112 Ų11275.6 Ų75.652%0.52337%0.374SS..Hα-helixtrans-67.2-43.2176.2-65174.7-12.400111.4Y20 L25 G26 Y27Y20-Q23 VanDerWaalsContact CD1-OE1 3.27Å; Y20-Q23 PolarHBondContact O-N 3.35Å; Q23-L25 VanDerWaalsContact C-N 3.31Å; Q23-L25 PolarHBondContact O-N 3.48Å; Q23-G26 PolarHBondContact O-N 3.31Å; Q23-Y27 HydrophobicContact CB-CE2 4.45Å; Q23-Y27 WeakPolarHBondContact O-CD2 3.21Å; Q23-Y27 PolarHBondContact O-N 2.89Å
24I96.2Very high95.4Very high75 Ų7574.2 Ų74.239%0.38537%0.369SS..Hα-helixtrans-61.4-42177.4-65.5169.2000110.6T17 Y20 F21 Y27 C28T17-I24 HydrophobicContact CG2-CD1 4.07Å; Y20-I24 WeakPolarHBondContact O-CG1 3.27Å; Y20-I24 PolarHBondContact O-N 2.94Å; F21-I24 HydrophobicContact CD1-CD1 4.34Å; F21-I24 PolarHBondContact O-N 3.4Å; I24-Y27 PolarHBondContact O-N 3.32Å; I24-C28 PolarHBondContact O-N 3.04Å
25L95.2Very high95.6Very high22 Ų2268.8 Ų68.812%0.11536%0.355CS..Hα-helixtrans-62.4-44.9173.9-80.5168000111.7F21 E22 Q23 Y27 C28 E29 F71 Y105 Y119F21-L25 WeakPolarHBondContact O-CB 3.37Å; F21-L25 VanDerWaalsContact O-CG 3.31Å; F21-L25 WeakPolarHBondContact O-CG 3.48Å; F21-L25 PolarHBondContact O-N 3.21Å; E22-L25 PolarHBondContact O-N 3.24Å; Q23-L25 VanDerWaalsContact C-N 3.31Å; Q23-L25 PolarHBondContact O-N 3.48Å; L25-Y27 VanDerWaalsContact C-N 3.31Å; L25-Y27 PolarHBondContact O-N 3.28Å; L25-C28 VanDerWaalsContact O-CB 3.3Å; L25-C28 WeakPolarHBondContact O-CB 3.32Å; L25-C28 PolarHBondContact O-N 3.02Å; L25-C28 VanDerWaalsContact O-N 3.08Å; L25-E29 WeakPolarHBondContact O-CG 3.35Å; L25-E29 PolarHBondContact O-N 2.66Å; L25-F71 HydrophobicContact CD2-CZ 3.86Å; L25-Y105 HydrophobicContact CD2-CD2 4.04Å; L25-Y105 HydrophobicContact CD2-CE2 3.3Å; L25-Y105 HydrophobicContact CG-CE2 4.25Å; L25-Y119 HydrophobicContact CD1-CD1 3.46Å; L25-Y119 VanDerWaalsContact CD1-CD1 3.46Å; L25-Y119 HydrophobicContact CD1-CE1 3.47Å; L25-Y119 VanDerWaalsContact CD1-CE1 3.47Å
26G96.6Very high95.7Very high32 Ų3270.7 Ų70.733%0.3336%0.358SS..Hα-helixtrans-58.2-40.9175.300000112.8E22 Q23 E29 L30E22-G26 PolarHBondContact O-N 2.93Å; Q23-G26 PolarHBondContact O-N 3.31Å; G26-E29 PolarHBondContact O-N 3.38Å; G26-L30 PolarHBondContact O-N 3.46Å
27Y97.1Very high95.9Very high152 Ų15264.2 Ų64.260%0.59633%0.333SS*.Hα-helixtrans-66.1-37.6173.6-66.4-47.5000112.8Q23 I24 L25 E29 L30 L31Q23-Y27 HydrophobicContact CB-CE2 4.45Å; Q23-Y27 WeakPolarHBondContact O-CD2 3.21Å; Q23-Y27 PolarHBondContact O-N 2.89Å; I24-Y27 PolarHBondContact O-N 3.32Å; L25-Y27 VanDerWaalsContact C-N 3.31Å; L25-Y27 PolarHBondContact O-N 3.28Å; Y27-E29 VanDerWaalsContact C-N 3.34Å; Y27-E29 PolarHBondContact O-N 3.33Å; Y27-L30 PolarHBondContact O-N 2.91Å; Y27-L31 VanDerWaalsContact O-CG 3.28Å; Y27-L31 WeakPolarHBondContact O-CG 3.48Å; Y27-L31 PolarHBondContact O-N 3.35Å
28C96.4Very high96Very high6 Ų659.5 Ų59.54%0.04130%0.304CS..Hα-helixtrans-61.1-43.9174.9-164.90000111.3I24 L25 L31 L32 F71I24-C28 PolarHBondContact O-N 3.04Å; L25-C28 VanDerWaalsContact O-CB 3.3Å; L25-C28 WeakPolarHBondContact O-CB 3.32Å; L25-C28 PolarHBondContact O-N 3.02Å; L25-C28 VanDerWaalsContact O-N 3.08Å; C28-L31 PolarHBondContact O-N 3.38Å; C28-L32 WeakPolarHBondContact O-CG 3.3Å; C28-L32 PolarHBondContact O-N 3.37Å; C28-F71 HydrophobicContact CB-CZ 4.14Å
29E96.4Very high96.2Very high81 Ų8158.9 Ų58.938%0.37930%0.3SS..Hα-helixtrans-62.3-42.7175.5-68.6179.6161.400112.1L25 G26 Y27 L32 A33 F71 K75L25-E29 WeakPolarHBondContact O-CG 3.35Å; L25-E29 PolarHBondContact O-N 2.66Å; G26-E29 PolarHBondContact O-N 3.38Å; Y27-E29 VanDerWaalsContact C-N 3.34Å; Y27-E29 PolarHBondContact O-N 3.33Å; E29-L32 PolarHBondContact O-N 3.1Å; E29-A33 WeakPolarHBondContact O-CB 3.29Å; E29-A33 PolarHBondContact O-N 3.03Å; E29-F71 HydrophobicContact CG-CD1 4.02Å; E29-F71 HydrophobicContact CG-CE1 3.5Å; E29-F71 VanDerWaalsContact CG-CE1 3.5Å; E29-K75 IonicContact OE1-NZ 2.87Å; E29-K75 PolarHBondContact OE1-NZ 3.27Å
30L97.2Very high96.2Very high94 Ų9455.1 Ų55.149%0.49228%0.28SS..Hα-helixtrans-61.9-44.8176.3-176.565.1000111.8G26 Y27 L32 A33 N34G26-L30 PolarHBondContact O-N 3.46Å; Y27-L30 PolarHBondContact O-N 2.91Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 3.5Å; L30-A33 PolarHBondContact O-N 3.32Å; L30-N34 WeakPolarHBondContact O-CB 3.42Å; L30-N34 VanDerWaalsContact O-CG 3.26Å; L30-N34 PolarHBondContact O-N 3Å; L30-N34 PolarHBondContact O-ND2 2.88Å
31L97.2Very high96.1Very high46 Ų4654.5 Ų54.524%0.24128%0.282CS..Hα-helixtrans-62.9-40.1177.6-72.1168.6000112Y27 C28 N34 G35 Q36 A37 I104Y27-L31 VanDerWaalsContact O-CG 3.28Å; Y27-L31 WeakPolarHBondContact O-CG 3.48Å; Y27-L31 PolarHBondContact O-N 3.35Å; C28-L31 PolarHBondContact O-N 3.38Å; L31-N34 PolarHBondContact O-N 2.96Å; L31-G35 PolarHBondContact O-N 3.19Å; L31-Q36 HydrophobicContact CD2-CB 3.96Å; L31-Q36 PolarHBondContact O-N 3.23Å; L31-A37 HydrophobicContact CB-CB 3.92Å; L31-A37 PolarHBondContact O-N 3.05Å; L31-A37 VanDerWaalsContact O-N 3.15Å; L31-I104 HydrophobicContact CD1-CD1 3.95Å
32L96.9Very high96Very high1 Ų152.8 Ų52.81%0.00528%0.276CS..Hα-helixtrans-65.8-43.3175.1-72.5164.2000111.3C28 E29 L30 N34 G35 A37 V39 N67 F71 V86C28-L32 WeakPolarHBondContact O-CG 3.3Å; C28-L32 PolarHBondContact O-N 3.37Å; E29-L32 PolarHBondContact O-N 3.1Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 3.5Å; L32-N34 VanDerWaalsContact C-N 3.32Å; L32-N34 PolarHBondContact O-N 3.5Å; L32-G35 PolarHBondContact O-N 3.08Å; L32-G35 VanDerWaalsContact O-N 3.14Å; L32-A37 HydrophobicContact CD2-CB 3.94Å; L32-A37 HydrophobicContact CG-CB 4.15Å; L32-V39 HydrophobicContact CD2-CG2 4.18Å; L32-N67 HydrophobicContact CD2-CB 3.99Å; L32-F71 HydrophobicContact CD1-CB 3.76Å; L32-F71 HydrophobicContact CD1-CD1 3.81Å; L32-F71 HydrophobicContact CD1-CD2 3.89Å; L32-F71 HydrophobicContact CD1-CE1 4.39Å; L32-F71 HydrophobicContact CD1-CE2 4.46Å; L32-F71 HydrophobicContact CD1-CG 3.52Å; L32-V86 HydrophobicContact CD1-CG1 4.41Å; L32-V86 HydrophobicContact CD2-CG1 4.03Å; L32-V86 HydrophobicContact CG-CG1 4.33Å
33A96.2Very high95.9Very high44 Ų4451.1 Ų51.136%0.36427%0.272SS..Hα-helixtrans-62.6-37.9177.500000112.4E29 L30 G35E29-A33 WeakPolarHBondContact O-CB 3.29Å; E29-A33 PolarHBondContact O-N 3.03Å; L30-A33 PolarHBondContact O-N 3.32Å; A33-G35 PolarHBondContact O-N 3.39Å
34N96.2Very high95.6Very high97 Ų9750.1 Ų50.152%0.51928%0.275SS..THydrogen-bonded Turntrans-79.91.1177.3-66.9-13.3000113.4L30 L31 L32 Q36L30-N34 WeakPolarHBondContact O-CB 3.42Å; L30-N34 VanDerWaalsContact O-CG 3.26Å; L30-N34 PolarHBondContact O-N 3Å; L30-N34 PolarHBondContact O-ND2 2.88Å; L31-N34 PolarHBondContact O-N 2.96Å; L32-N34 VanDerWaalsContact C-N 3.32Å; L32-N34 PolarHBondContact O-N 3.5Å; N34-Q36 HydrophobicContact CB-CG 4.02Å; N34-Q36 PolarHBondContact O-N 2.88Å
35G94.9Very high95.4Very high21 Ų2151.4 Ų51.422%0.21628%0.279CS..THydrogen-bonded Turntrans67.812.6-176.900000114.4L31 L32 A33 A37 K89L31-G35 PolarHBondContact O-N 3.19Å; L32-G35 PolarHBondContact O-N 3.08Å; L32-G35 VanDerWaalsContact O-N 3.14Å; A33-G35 PolarHBondContact O-N 3.39Å; G35-A37 VanDerWaalsContact C-N 3.33Å; G35-K89 WeakPolarHBondContact O-CD 3.22Å; G35-K89 WeakPolarHBondContact O-CE 3.28Å; G35-K89 PolarHBondContact O-NZ 3.44Å
36Q95.9Very high95.3Very high100 Ų10054.1 Ų54.147%0.46729%0.294SS..SBendtrans-85.9-7.5178.2-62.3179.6-68.200112.7L31 N34 K89L31-Q36 HydrophobicContact CD2-CB 3.96Å; L31-Q36 PolarHBondContact O-N 3.23Å; N34-Q36 HydrophobicContact CB-CG 4.02Å; N34-Q36 PolarHBondContact O-N 2.88Å; Q36-K89 PolarHBondContact O-N 2.78Å
37A97.1Very high95Very high0 Ų053.6 Ų53.60%028%0.283CS..EExtended strand (participates in β ladder)trans-136.4164.5170.900000110L31 L32 G35 V86 R87 I104L31-A37 HydrophobicContact CB-CB 3.92Å; L31-A37 PolarHBondContact O-N 3.05Å; L31-A37 VanDerWaalsContact O-N 3.15Å; L32-A37 HydrophobicContact CD2-CB 3.94Å; L32-A37 HydrophobicContact CG-CB 4.15Å; G35-A37 VanDerWaalsContact C-N 3.33Å; A37-V86 HydrophobicContact CB-CG1 4.01Å; A37-R87 CarbonylContact C-O 3.54Å; A37-R87 WeakPolarHBondContact CA-O 3.48Å; A37-R87 WeakPolarHBondContact CB-O 3.49Å; A37-I104 HydrophobicContact CB-CD1 4.24Å
38Y96.9Very high94.7Very high0 Ų051.7 Ų51.70%028%0.278CS..EExtended strand (participates in β ladder)trans-145.6160.317464.3-78.1000110.5D40 L57 C59 R60 V86 R87 K89 D101Y38-D40 HydrophobicContact CD2-CB 4.27Å; Y38-D40 HydrophobicContact CE2-CB 3.83Å; Y38-L57 WeakPolarHBondContact OH-CD1 3.48Å; Y38-C59 VanDerWaalsContact CD2-C 3.44Å; Y38-C59 HydrophobicContact CD2-CB 3.88Å; Y38-C59 WeakPolarHBondContact CD2-O 3.32Å; Y38-C59 HydrophobicContact CE2-CB 3.97Å; Y38-R60 HydrophobicContact CD1-CG 4.28Å; Y38-R60 HydrophobicContact CE1-CB 4.22Å; Y38-R60 HydrophobicContact CE1-CG 3.9Å; Y38-R60 HydrophobicContact CE2-CB 4.31Å; Y38-V86 WeakPolarHBondContact O-CA 3.25Å; Y38-R87 HydrophobicContact CD1-CB 4.42Å; Y38-R87 HydrophobicContact CE1-CB 3.84Å; Y38-R87 HydrophobicContact CE2-CB 4.26Å; Y38-R87 PolarHBondContact N-O 2.85Å; Y38-R87 PolarHBondContact O-N 2.97Å; Y38-R87 PolarHBondContact OH-NE 2.93Å; Y38-K89 HydrophobicContact CD1-CD 4.18Å; Y38-K89 HydrophobicContact CD1-CG 3.49Å; Y38-K89 VanDerWaalsContact CD1-CG 3.49Å; Y38-K89 HydrophobicContact CE1-CG 3.93Å; Y38-D101 HydrophobicContact CE1-CB 4.42Å
39V96.9Very high94.5Very high0 Ų055.3 Ų55.30%029%0.294CS..EExtended strand (participates in β ladder)trans-93.4128.9172.7-173.30000109L32 N62 N67 L70 F71 M74 C84 C85 V86L32-V39 HydrophobicContact CD2-CG2 4.18Å; V39-N62 PolarHBondContact O-ND2 2.92Å; V39-N67 HydrophobicContact CG2-CB 4.35Å; V39-N67 WeakPolarHBondContact CG2-O 3.34Å; V39-N67 PolarHBondContact N-OD1 2.88Å; V39-L70 HydrophobicContact CB-CB 3.8Å; V39-L70 HydrophobicContact CB-CD1 4.04Å; V39-L70 HydrophobicContact CG1-CB 3.69Å; V39-L70 HydrophobicContact CG1-CD1 4.17Å; V39-L70 HydrophobicContact CG2-CB 3.97Å; V39-F71 HydrophobicContact CG2-CB 4.08Å; V39-M74 HydrophobicContact CG1-SD 3.73Å; V39-M74 HydrophobicContact CG2-SD 4.45Å; V39-C84 HydrophobicContact CG1-CB 3.63Å; V39-C85 WeakPolarHBondContact CA-O 3.41Å; V39-V86 HydrophobicContact CG2-CG2 4.34Å
40D95.4Very high94.2Very high0 Ų053.1 Ų53.10%028%0.284CS..EExtended strand (participates in β ladder)trans-113115.8-179.1-160-14.2000109.2Y38 T42 M47 C59 C84 C85 R87Y38-D40 HydrophobicContact CD2-CB 4.27Å; Y38-D40 HydrophobicContact CE2-CB 3.83Å; D40-T42 WeakPolarHBondContact OD1-CB 3.32Å; D40-T42 PolarHBondContact OD1-N 2.87Å; D40-T42 VanDerWaalsContact OD1-N 3.11Å; D40-T42 PolarHBondContact OD1-OG1 2.77Å; D40-M47 HydrophobicContact CB-CE 4.04Å; D40-C59 HydrophobicContact CB-CB 4.38Å; D40-C84 CarbonylContact O-C 3.54Å; D40-C84 WeakPolarHBondContact O-CA 3.34Å; D40-C85 PolarHBondContact N-O 3.08Å; D40-C85 PolarHBondContact O-N 3Å; D40-R87 HydrophobicContact CB-CG 4.2Å; D40-R87 WeakPolarHBondContact OD2-CD 3.49Å; D40-R87 IonicContact OD2-CZ 3.88Å; D40-R87 IonicContact OD2-NE 2.78Å; D40-R87 IonicContact OD2-NH1 2.9Å; D40-R87 PolarHBondContact OD2-NH1 2.68Å
41D94.5Very high93.9Very high71 Ų7152.1 Ų52.138%0.3827%0.273SS..  trans-103.212.5175.763.2-16.4000112.6C59D41-C59 PolarHBondContact OD1-SG 3.46Å
42T92.8Very high93.6Very high20 Ų2055.7 Ų55.712%0.12329%0.289CS..SBendtrans-65.6143174-49.50000110.5D40 L46 M47D40-T42 WeakPolarHBondContact OD1-CB 3.32Å; D40-T42 PolarHBondContact OD1-N 2.87Å; D40-T42 VanDerWaalsContact OD1-N 3.11Å; D40-T42 PolarHBondContact OD1-OG1 2.77Å; T42-L46 HydrophobicContact CG2-CB 4Å; T42-L46 HydrophobicContact CG2-CD2 3.73Å; T42-L46 HydrophobicContact CG2-CG 3.81Å; T42-M47 HydrophobicContact CG2-CB 4.42Å; T42-M47 WeakPolarHBondContact O-CE 3.17Å
43D92Very high93.3Very high99 Ų9960.3 Ų60.353%0.52931%0.311SS..  trans-52.7136.2173.9-179.3-90.5000111.2E45 L46 M47D43-E45 PolarHBondContact O-N 3.09Å; D43-E45 WeakPolarHBondContact OD1-CB 3.45Å; D43-E45 PolarHBondContact OD1-N 3.35Å; D43-L46 HydrophobicContact CB-CB 4.27Å; D43-L46 PolarHBondContact O-N 2.92Å; D43-M47 WeakPolarHBondContact O-CB 3.33Å; D43-M47 PolarHBondContact O-N 3.28Å
44P90.3Very high93Very high91 Ų9163.3 Ų63.359%0.59131%0.312SS*.Hα-helixtrans-56-34.4-176-27.635.3000114.8K48P44-K48 PolarHBondContact O-N 3.14Å; P44-K48 VanDerWaalsContact O-N 3.1Å
45E91.8Very high92.4Very high102 Ų10265.4 Ų65.448%0.47731%0.313SS..Hα-helixtrans-74.7-44.4-179.3-170.256.9-145.600110.5D43 M47 K48 Q49D43-E45 PolarHBondContact O-N 3.09Å; D43-E45 WeakPolarHBondContact OD1-CB 3.45Å; D43-E45 PolarHBondContact OD1-N 3.35Å; E45-M47 VanDerWaalsContact C-N 3.31Å; E45-M47 PolarHBondContact O-N 3.35Å; E45-K48 PolarHBondContact O-N 3.5Å; E45-Q49 WeakPolarHBondContact O-CG 3.47Å; E45-Q49 PolarHBondContact O-N 3.41Å
46L92.3Very high91.4Very high80 Ų8069.3 Ų69.342%0.41934%0.335SS..Hα-helixtrans-61.1-42.5173.6179.859.1000111.2T42 D43 K48 Q49 E50T42-L46 HydrophobicContact CG2-CB 4Å; T42-L46 HydrophobicContact CG2-CD2 3.73Å; T42-L46 HydrophobicContact CG2-CG 3.81Å; D43-L46 HydrophobicContact CB-CB 4.27Å; D43-L46 PolarHBondContact O-N 2.92Å; L46-K48 VanDerWaalsContact C-N 3.3Å; L46-K48 PolarHBondContact O-N 3.45Å; L46-Q49 PolarHBondContact O-N 3.21Å; L46-E50 HydrophobicContact CD1-CG 4.07Å; L46-E50 HydrophobicContact CG-CG 4.37Å; L46-E50 WeakPolarHBondContact O-CG 3.21Å; L46-E50 PolarHBondContact O-N 3.07Å
47M91.3Very high90.4Very high21 Ų2164.7 Ų64.710%0.10331%0.313CS..Hα-helixtrans-59.4-40.4177.5-170.3-172.7-57.200112.3D40 T42 D43 E45 R51 L57 R87D40-M47 HydrophobicContact CB-CE 4.04Å; T42-M47 HydrophobicContact CG2-CB 4.42Å; T42-M47 WeakPolarHBondContact O-CE 3.17Å; D43-M47 WeakPolarHBondContact O-CB 3.33Å; D43-M47 PolarHBondContact O-N 3.28Å; E45-M47 VanDerWaalsContact C-N 3.31Å; E45-M47 PolarHBondContact O-N 3.35Å; M47-R51 WeakPolarHBondContact O-CB 3.22Å; M47-R51 PolarHBondContact O-N 3.29Å; M47-R51 VanDerWaalsContact O-N 3.16Å; M47-L57 HydrophobicContact CG-CD2 4.49Å; M47-R87 PolarHBondContact SD-NH1 2.92Å
48K90.7Very high89.7Confident112 Ų11274.1 Ų74.149%0.48735%0.354SS..Hα-helixtrans-65.3-47.7175.9-175.9-174.3171.7-1640110.8P44 E45 L46 E50 R51 E52P44-K48 PolarHBondContact O-N 3.14Å; P44-K48 VanDerWaalsContact O-N 3.1Å; E45-K48 PolarHBondContact O-N 3.5Å; L46-K48 VanDerWaalsContact C-N 3.3Å; L46-K48 PolarHBondContact O-N 3.45Å; K48-E50 PolarHBondContact O-N 3.02Å; K48-R51 PolarHBondContact O-N 3.1Å; K48-E52 VanDerWaalsContact CE-OE1 3.3Å; K48-E52 WeakPolarHBondContact CE-OE1 3.39Å; K48-E52 WeakPolarHBondContact O-CG 3.2Å; K48-E52 PolarHBondContact O-N 3.15Å
49Q92.4Very high89.4Confident81 Ų8174.4 Ų74.438%0.37936%0.356SS..Hα-helixtrans-60.5-45.9178.4-69.7176.114.900112.1E45 L46 R51 E52 Q53E45-Q49 WeakPolarHBondContact O-CG 3.47Å; E45-Q49 PolarHBondContact O-N 3.41Å; L46-Q49 PolarHBondContact O-N 3.21Å; Q49-R51 VanDerWaalsContact C-N 3.28Å; Q49-R51 PolarHBondContact O-N 2.64Å; Q49-E52 PolarHBondContact O-N 2.77Å; Q49-Q53 WeakPolarHBondContact O-CB 3.48Å; Q49-Q53 VanDerWaalsContact O-CG 3.26Å; Q49-Q53 WeakPolarHBondContact O-CG 3.49Å; Q49-Q53 PolarHBondContact O-N 3.36Å
50E90.4Very high89.2Confident36 Ų3677.5 Ų77.517%0.16837%0.368CS..Hα-helixtrans-63.2-35.5178.9-72.3-179.5140.600112.1L46 K48 Q53 R54 R55 L57L46-E50 HydrophobicContact CD1-CG 4.07Å; L46-E50 HydrophobicContact CG-CG 4.37Å; L46-E50 WeakPolarHBondContact O-CG 3.21Å; L46-E50 PolarHBondContact O-N 3.07Å; K48-E50 PolarHBondContact O-N 3.02Å; E50-Q53 CarbonylContact O-C 3.54Å; E50-Q53 PolarHBondContact O-N 2.64Å; E50-R54 PolarHBondContact O-N 3.4Å; E50-R55 PolarHBondContact O-N 3.22Å; E50-L57 HydrophobicContact CB-CD2 4.08Å; E50-L57 WeakPolarHBondContact OE2-CD2 3.4Å
51R90.4Very high89Confident72 Ų7283.4 Ų83.427%0.27240%0.399SS..Hα-helixtrans-70.9-36.5175.7-173.1179.8169.6178.50.1113.1M47 K48 Q49 Q53 R54 M92 G97 R100M47-R51 WeakPolarHBondContact O-CB 3.22Å; M47-R51 PolarHBondContact O-N 3.29Å; M47-R51 VanDerWaalsContact O-N 3.16Å; K48-R51 PolarHBondContact O-N 3.1Å; Q49-R51 VanDerWaalsContact C-N 3.28Å; Q49-R51 PolarHBondContact O-N 2.64Å; R51-Q53 VanDerWaalsContact C-N 3.34Å; R51-R54 PolarHBondContact O-N 3.44Å; R51-M92 HydrophobicContact CB-CE 4.36Å; R51-G97 PolarHBondContact NE-O 2.89Å; R51-G97 PolarHBondContact NH2-O 3.41Å; R51-R100 HydrophobicContact CG-CB 3.76Å; R51-R100 PolarHBondContact NE-O 3.1Å; R51-R100 VanDerWaalsContact NE-O 3.14Å; R51-R100 WeakPolarHBondContact O-CD 3.49Å; R51-R100 PolarHBondContact O-NH1 3.2Å; R51-R100 VanDerWaalsContact O-NH1 3.15Å
52E89.6Confident88.9Confident122 Ų12280.9 Ų80.957%0.5739%0.386SS*.Hα-helixtrans-66.3-40.6172.9-74.7176.1-175.500110.9K48 Q49 R54K48-E52 VanDerWaalsContact CE-OE1 3.3Å; K48-E52 WeakPolarHBondContact CE-OE1 3.39Å; K48-E52 WeakPolarHBondContact O-CG 3.2Å; K48-E52 PolarHBondContact O-N 3.15Å; Q49-E52 PolarHBondContact O-N 2.77Å; E52-R54 VanDerWaalsContact C-N 3.28Å; E52-R54 PolarHBondContact O-N 2.8Å
53Q91.5Very high88.9Confident98 Ų9885 Ų8546%0.45841%0.407SS..THydrogen-bonded Turntrans-82.62.2179.8-64174.114.700114.3Q49 E50 R51 R55Q49-Q53 WeakPolarHBondContact O-CB 3.48Å; Q49-Q53 VanDerWaalsContact O-CG 3.26Å; Q49-Q53 WeakPolarHBondContact O-CG 3.49Å; Q49-Q53 PolarHBondContact O-N 3.36Å; E50-Q53 CarbonylContact O-C 3.54Å; E50-Q53 PolarHBondContact O-N 2.64Å; R51-Q53 VanDerWaalsContact C-N 3.34Å; Q53-R55 HydrophobicContact CB-CG 4.09Å; Q53-R55 PolarHBondContact O-N 3.01Å; Q53-R55 VanDerWaalsContact O-N 3.15Å
54R89.8Confident89.1Confident106 Ų10682.2 Ų82.240%0.439%0.394SS..THydrogen-bonded Turntrans54.130-179.3-51.6-176.6-171.4-156.34.4113.5E50 R51 E52 A93 D95E50-R54 PolarHBondContact O-N 3.4Å; R51-R54 PolarHBondContact O-N 3.44Å; E52-R54 VanDerWaalsContact C-N 3.28Å; E52-R54 PolarHBondContact O-N 2.8Å; R54-A93 PolarHBondContact NH1-O 3.14Å; R54-D95 IonicContact CZ-OD1 3.28Å; R54-D95 VanDerWaalsContact CZ-OD1 3.28Å; R54-D95 IonicContact NH1-OD1 2.66Å; R54-D95 PolarHBondContact NH1-OD1 3.31Å; R54-D95 IonicContact NH2-OD1 2.81Å; R54-D95 PolarHBondContact NH2-OD1 3.09Å
55R83.5Confident89.3Confident142 Ų14283.4 Ų83.454%0.53639%0.391SS..PPolyproline II helixtrans-82.5141178.8-66.3-170.7-160175.86.7110.8E50 Q53 M92E50-R55 PolarHBondContact O-N 3.22Å; Q53-R55 HydrophobicContact CB-CG 4.09Å; Q53-R55 PolarHBondContact O-N 3.01Å; Q53-R55 VanDerWaalsContact O-N 3.15Å; R55-M92 WeakPolarHBondContact O-CE 3.41Å
56P73.5Confident89.6Confident103 Ų10382.4 Ų82.467%0.66939%0.385SS*.PPolyproline II helixtrans-65.4134.7172.325.7-30.7000110.4
57L75.7Confident89.8Confident3 Ų378.6 Ų78.62%0.01637%0.365CS..PPolyproline II helixtrans-85.6136.8-175.7-67.1141000110.5Y38 M47 E50 C59 R60 R87 M92Y38-L57 WeakPolarHBondContact OH-CD1 3.48Å; M47-L57 HydrophobicContact CG-CD2 4.49Å; E50-L57 HydrophobicContact CB-CD2 4.08Å; E50-L57 WeakPolarHBondContact OE2-CD2 3.4Å; L57-C59 PolarHBondContact O-N 3.15Å; L57-C59 VanDerWaalsContact O-N 3.1Å; L57-R60 HydrophobicContact CB-CB 4.29Å; L57-R60 WeakPolarHBondContact O-CB 3.32Å; L57-R60 PolarHBondContact O-N 2.89Å; L57-R87 VanDerWaalsContact CD1-CZ 3.45Å; L57-M92 HydrophobicContact CD1-CE 3.63Å; L57-M92 HydrophobicContact CD1-SD 3.93Å; L57-M92 HydrophobicContact CG-CE 4.18Å
58K82.9Confident90Very high197 Ų19781.7 Ų81.786%0.85738%0.378SS*.G310 helixtrans-52.4-36.1178.4-108.3-178.7177.2177.80113.2R60K58-R60 VanDerWaalsContact C-N 3.32Å
59C90.4Very high90.2Very high7 Ų783.2 Ų83.25%0.04738%0.381CS..G310 helixtrans-79.4-14.8-176.5-590000113.5Y38 D40 D41 L57 D61 N62Y38-C59 VanDerWaalsContact CD2-C 3.44Å; Y38-C59 HydrophobicContact CD2-CB 3.88Å; Y38-C59 WeakPolarHBondContact CD2-O 3.32Å; Y38-C59 HydrophobicContact CE2-CB 3.97Å; D40-C59 HydrophobicContact CB-CB 4.38Å; D41-C59 PolarHBondContact OD1-SG 3.46Å; L57-C59 PolarHBondContact O-N 3.15Å; L57-C59 VanDerWaalsContact O-N 3.1Å; C59-D61 PolarHBondContact O-N 3.38Å; C59-N62 VanDerWaalsContact O-CB 3.25Å; C59-N62 WeakPolarHBondContact O-CB 3.39Å; C59-N62 PolarHBondContact O-N 3.03Å; C59-N62 VanDerWaalsContact O-N 3.15Å; C59-N62 PolarHBondContact O-ND2 3.27Å; C59-N62 VanDerWaalsContact O-ND2 3.16Å
60R92.6Very high90.4Very high64 Ų6479.6 Ų79.624%0.24236%0.364CS..G310 helixtrans-63.8-31.9-175.6-168.3175.3-174.2-80.31.5112.6Y38 L57 K58 K89 M90 D101Y38-R60 HydrophobicContact CD1-CG 4.28Å; Y38-R60 HydrophobicContact CE1-CB 4.22Å; Y38-R60 HydrophobicContact CE1-CG 3.9Å; Y38-R60 HydrophobicContact CE2-CB 4.31Å; L57-R60 HydrophobicContact CB-CB 4.29Å; L57-R60 WeakPolarHBondContact O-CB 3.32Å; L57-R60 PolarHBondContact O-N 2.89Å; K58-R60 VanDerWaalsContact C-N 3.32Å; R60-K89 HydrophobicContact CG-CD 4.37Å; R60-K89 HydrophobicContact CG-CG 4.46Å; R60-K89 WeakPolarHBondContact O-CE 3.19Å; R60-K89 PolarHBondContact O-NZ 2.9Å; R60-M90 PolarHBondContact NH2-O 3.03Å; R60-D101 VanDerWaalsContact CD-OD2 3.32Å; R60-D101 WeakPolarHBondContact CD-OD2 3.37Å; R60-D101 IonicContact NE-OD2 3.71Å; R60-D101 PolarHBondContact NE-OD2 3.25Å
61D90.2Very high90.7Very high125 Ų12578.1 Ų78.167%0.66836%0.357SS*.G310 helixtrans-98.314.9-179.3-57.7-33.7000112.6C59 D63C59-D61 PolarHBondContact O-N 3.38Å; D61-D63 PolarHBondContact O-N 2.85Å
62N92.8Very high91Very high18 Ų1877.7 Ų77.710%0.09636%0.36CS..  trans-57.9138.3170.5-77.2-25000110.7V39 C59 K66 N67V39-N62 PolarHBondContact O-ND2 2.92Å; C59-N62 VanDerWaalsContact O-CB 3.25Å; C59-N62 WeakPolarHBondContact O-CB 3.39Å; C59-N62 PolarHBondContact O-N 3.03Å; C59-N62 VanDerWaalsContact O-N 3.15Å; C59-N62 PolarHBondContact O-ND2 3.27Å; C59-N62 VanDerWaalsContact O-ND2 3.16Å; N62-K66 HydrophobicContact CB-CD 4.2Å; N62-K66 WeakPolarHBondContact OD1-CD 3.1Å; N62-K66 WeakPolarHBondContact OD1-CE 3.48Å; N62-K66 PolarHBondContact OD1-NZ 3.1Å; N62-N67 WeakPolarHBondContact CB-OD1 3.46Å; N62-N67 PolarHBondContact O-ND2 3.46Å; N62-N67 VanDerWaalsContact O-ND2 3.11Å
63D93.7Very high91.3Very high107 Ų10774.8 Ų74.857%0.57235%0.346SS*.  trans-59.2149170.4-17199.1000111.4D61 E65 K66 N67D61-D63 PolarHBondContact O-N 2.85Å; D63-E65 VanDerWaalsContact C-N 3.27Å; D63-E65 PolarHBondContact O-N 3.27Å; D63-E65 PolarHBondContact OD2-N 3.24Å; D63-K66 WeakPolarHBondContact O-CB 3.38Å; D63-K66 PolarHBondContact O-N 3Å; D63-K66 VanDerWaalsContact O-N 3.15Å; D63-N67 PolarHBondContact O-N 3.13Å; D63-N67 PolarHBondContact O-ND2 3.48Å
64V95.1Very high91.5Very high40 Ų4070.1 Ų70.124%0.24232%0.324CS..Hα-helixtrans-53.3-42.5177.9172.90000111.9N67 K68V64-N67 WeakPolarHBondContact O-CB 3.46Å; V64-N67 PolarHBondContact O-N 3.36Å; V64-K68 HydrophobicContact CG1-CD 4.27Å; V64-K68 HydrophobicContact CG1-CG 4.48Å; V64-K68 WeakPolarHBondContact O-CG 3.43Å; V64-K68 PolarHBondContact O-N 3.31Å
65E95.8Very high91.7Very high116 Ų11668.7 Ų68.754%0.54232%0.321SS..Hα-helixtrans-68.7-36.6-179.4-70.5-55.9124.100112.2D63 N67 K68 R69D63-E65 VanDerWaalsContact C-N 3.27Å; D63-E65 PolarHBondContact O-N 3.27Å; D63-E65 PolarHBondContact OD2-N 3.24Å; E65-N67 VanDerWaalsContact C-N 3.34Å; E65-K68 PolarHBondContact O-N 3.11Å; E65-K68 WeakPolarHBondContact OE1-CD 3.34Å; E65-K68 IonicContact OE1-NZ 3.14Å; E65-K68 PolarHBondContact OE1-NZ 2.97Å; E65-R69 WeakPolarHBondContact O-CB 3.45Å; E65-R69 PolarHBondContact O-N 3.42Å
66K96.1Very high92.2Very high80 Ų8069.2 Ų69.235%0.34832%0.323SS..Hα-helixtrans-63-44.6172.8-178.5178.6172.1-169.30110.4N62 D63 R69 L70N62-K66 HydrophobicContact CB-CD 4.2Å; N62-K66 WeakPolarHBondContact OD1-CD 3.1Å; N62-K66 WeakPolarHBondContact OD1-CE 3.48Å; N62-K66 PolarHBondContact OD1-NZ 3.1Å; D63-K66 WeakPolarHBondContact O-CB 3.38Å; D63-K66 PolarHBondContact O-N 3Å; D63-K66 VanDerWaalsContact O-N 3.15Å; K66-R69 PolarHBondContact O-N 3.43Å; K66-L70 HydrophobicContact CG-CD1 4.21Å; K66-L70 WeakPolarHBondContact O-CG 3.35Å; K66-L70 PolarHBondContact O-N 2.9Å
67N96.5Very high93.1Very high0 Ų065.4 Ų65.40%030%0.302CS..Hα-helixtrans-62.5-45.9178.1-73.3-39.3000111.8L32 V39 N62 D63 V64 E65 R69 L70 F71L32-N67 HydrophobicContact CD2-CB 3.99Å; V39-N67 HydrophobicContact CG2-CB 4.35Å; V39-N67 WeakPolarHBondContact CG2-O 3.34Å; V39-N67 PolarHBondContact N-OD1 2.88Å; N62-N67 WeakPolarHBondContact CB-OD1 3.46Å; N62-N67 PolarHBondContact O-ND2 3.46Å; N62-N67 VanDerWaalsContact O-ND2 3.11Å; D63-N67 PolarHBondContact O-N 3.13Å; D63-N67 PolarHBondContact O-ND2 3.48Å; V64-N67 WeakPolarHBondContact O-CB 3.46Å; V64-N67 PolarHBondContact O-N 3.36Å; E65-N67 VanDerWaalsContact C-N 3.34Å; N67-R69 PolarHBondContact O-N 3.27Å; N67-L70 PolarHBondContact O-N 2.93Å; N67-F71 WeakPolarHBondContact O-CB 3.46Å; N67-F71 PolarHBondContact O-N 2.83Å
68K95.7Very high94Very high87 Ų8767.3 Ų67.338%0.37831%0.314SS..Hα-helixtrans-57.9-45.2175.3-73.7175.3-174.9166.40112.2V64 E65 L70 F71 D72V64-K68 HydrophobicContact CG1-CD 4.27Å; V64-K68 HydrophobicContact CG1-CG 4.48Å; V64-K68 WeakPolarHBondContact O-CG 3.43Å; V64-K68 PolarHBondContact O-N 3.31Å; E65-K68 PolarHBondContact O-N 3.11Å; E65-K68 WeakPolarHBondContact OE1-CD 3.34Å; E65-K68 IonicContact OE1-NZ 3.14Å; E65-K68 PolarHBondContact OE1-NZ 2.97Å; K68-L70 PolarHBondContact O-N 2.9Å; K68-F71 PolarHBondContact O-N 3.06Å; K68-D72 PolarHBondContact O-N 2.99Å
69R96.4Very high94.5Very high144 Ų14465.4 Ų65.454%0.54331%0.308SS..Hα-helixtrans-62.8-42178.4-171-17772.2-143.85.2112.4E65 K66 N67 K73E65-R69 WeakPolarHBondContact O-CB 3.45Å; E65-R69 PolarHBondContact O-N 3.42Å; K66-R69 PolarHBondContact O-N 3.43Å; N67-R69 PolarHBondContact O-N 3.27Å; R69-K73 WeakPolarHBondContact O-CG 3.48Å; R69-K73 PolarHBondContact O-N 2.8Å
70L96.2Very high94.7Very high5 Ų567.1 Ų67.13%0.02632%0.316CS..Hα-helixtrans-67.8-39.9176.2-70.2171.9000111.1V39 K66 N67 K68 D72 K73 M74 L80V39-L70 HydrophobicContact CB-CB 3.8Å; V39-L70 HydrophobicContact CB-CD1 4.04Å; V39-L70 HydrophobicContact CG1-CB 3.69Å; V39-L70 HydrophobicContact CG1-CD1 4.17Å; V39-L70 HydrophobicContact CG2-CB 3.97Å; K66-L70 HydrophobicContact CG-CD1 4.21Å; K66-L70 WeakPolarHBondContact O-CG 3.35Å; K66-L70 PolarHBondContact O-N 2.9Å; N67-L70 PolarHBondContact O-N 2.93Å; K68-L70 PolarHBondContact O-N 2.9Å; L70-D72 VanDerWaalsContact C-N 3.35Å; L70-D72 PolarHBondContact O-N 2.97Å; L70-K73 VanDerWaalsContact O-CB 3.32Å; L70-K73 WeakPolarHBondContact O-CB 3.43Å; L70-K73 PolarHBondContact O-N 2.81Å; L70-K73 VanDerWaalsContact O-N 3.13Å; L70-M74 WeakPolarHBondContact O-CG 3.21Å; L70-M74 PolarHBondContact O-N 2.88Å; L70-L80 HydrophobicContact CD2-CD2 3.75Å; L70-L80 HydrophobicContact CD2-CG 4.39Å
71F96.8Very high94.8Very high5 Ų564 Ų642%0.02231%0.305CS..Hα-helixtrans-64.8-38.5177.6-172.4-116.2000112.3L25 C28 E29 L32 V39 N67 K68 K73 M74 K75 V86 Y105L25-F71 HydrophobicContact CD2-CZ 3.86Å; C28-F71 HydrophobicContact CB-CZ 4.14Å; E29-F71 HydrophobicContact CG-CD1 4.02Å; E29-F71 HydrophobicContact CG-CE1 3.5Å; E29-F71 VanDerWaalsContact CG-CE1 3.5Å; L32-F71 HydrophobicContact CD1-CB 3.76Å; L32-F71 HydrophobicContact CD1-CD1 3.81Å; L32-F71 HydrophobicContact CD1-CD2 3.89Å; L32-F71 HydrophobicContact CD1-CE1 4.39Å; L32-F71 HydrophobicContact CD1-CE2 4.46Å; L32-F71 HydrophobicContact CD1-CG 3.52Å; V39-F71 HydrophobicContact CG2-CB 4.08Å; N67-F71 WeakPolarHBondContact O-CB 3.46Å; N67-F71 PolarHBondContact O-N 2.83Å; K68-F71 PolarHBondContact O-N 3.06Å; F71-K73 VanDerWaalsContact C-N 3.31Å; F71-K73 PolarHBondContact O-N 2.77Å; F71-M74 HydrophobicContact CD2-SD 4.13Å; F71-M74 WeakPolarHBondContact O-CA 3.08Å; F71-M74 WeakPolarHBondContact O-CB 3.36Å; F71-M74 PolarHBondContact O-N 3.21Å; F71-M74 VanDerWaalsContact O-N 3.09Å; F71-K75 HydrophobicContact CD1-CD 4.23Å; F71-K75 HydrophobicContact CD1-CG 4.43Å; F71-K75 HydrophobicContact CE1-CD 3.77Å; F71-K75 HydrophobicContact CE1-CG 4.06Å; F71-K75 HydrophobicContact CZ-CD 4.29Å; F71-K75 HydrophobicContact CZ-CG 4.19Å; F71-K75 PolarHBondContact O-N 3.18Å; F71-V86 HydrophobicContact CD2-CG2 3.51Å; F71-V86 HydrophobicContact CE2-CG2 3.72Å; F71-Y105 AromaticContact CE2-CD1 3.97Å; F71-Y105 HydrophobicContact CE2-CD1 3.97Å; F71-Y105 HydrophobicContact CE2-CE1 4.33Å; F71-Y105 HydrophobicContact CE2-CG 4.13Å
72D95.9Very high94.9Very high62 Ų6261.7 Ų61.733%0.33229%0.292SS..Hα-helixtrans-60.7-39.4171.9-179.972.2000112.6K68 L70 M74 K75 R76K68-D72 PolarHBondContact O-N 2.99Å; L70-D72 VanDerWaalsContact C-N 3.35Å; L70-D72 PolarHBondContact O-N 2.97Å; D72-M74 VanDerWaalsContact C-N 3.29Å; D72-M74 PolarHBondContact O-N 2.99Å; D72-K75 PolarHBondContact O-N 3.08Å; D72-R76 WeakPolarHBondContact O-CG 3.38Å; D72-R76 PolarHBondContact O-N 3.31Å; D72-R76 IonicContact OD2-CZ 2.77Å; D72-R76 IonicContact OD2-NE 2.85Å; D72-R76 PolarHBondContact OD2-NE 2.8Å; D72-R76 IonicContact OD2-NH2 3.76Å; D72-R76 PolarHBondContact OD2-NH2 3.18Å
73K96.2Very high95Very high62 Ų6268.3 Ų68.327%0.2732%0.316SS..Hα-helixtrans-63.8-32.9172.7-74.5-176.3-176.1-168.30113R69 L70 F71 G77 T78 L80R69-K73 WeakPolarHBondContact O-CG 3.48Å; R69-K73 PolarHBondContact O-N 2.8Å; L70-K73 VanDerWaalsContact O-CB 3.32Å; L70-K73 WeakPolarHBondContact O-CB 3.43Å; L70-K73 PolarHBondContact O-N 2.81Å; L70-K73 VanDerWaalsContact O-N 3.13Å; F71-K73 VanDerWaalsContact C-N 3.31Å; F71-K73 PolarHBondContact O-N 2.77Å; K73-G77 PolarHBondContact O-N 3Å; K73-T78 WeakPolarHBondContact CB-OG1 3.15Å; K73-T78 PolarHBondContact O-N 3.15Å; K73-T78 VanDerWaalsContact O-N 3.1Å; K73-T78 PolarHBondContact O-OG1 2.7Å; K73-L80 HydrophobicContact CD-CB 4.49Å; K73-L80 HydrophobicContact CD-CD2 3.8Å
74M95.8Very high95.1Very high0 Ų063.5 Ų63.50%029%0.29CS..Hα-helixtrans-68-49.3172.6-63.5176.469.200111.3V39 L70 F71 D72 R76 G77 C84 V86 Y105 C107V39-M74 HydrophobicContact CG1-SD 3.73Å; V39-M74 HydrophobicContact CG2-SD 4.45Å; L70-M74 WeakPolarHBondContact O-CG 3.21Å; L70-M74 PolarHBondContact O-N 2.88Å; F71-M74 HydrophobicContact CD2-SD 4.13Å; F71-M74 WeakPolarHBondContact O-CA 3.08Å; F71-M74 WeakPolarHBondContact O-CB 3.36Å; F71-M74 PolarHBondContact O-N 3.21Å; F71-M74 VanDerWaalsContact O-N 3.09Å; D72-M74 VanDerWaalsContact C-N 3.29Å; D72-M74 PolarHBondContact O-N 2.99Å; M74-R76 PolarHBondContact O-N 2.94Å; M74-G77 PolarHBondContact O-N 2.89Å; M74-C84 HydrophobicContact CE-CB 4.14Å; M74-C84 WeakPolarHBondContact CE-O 3.27Å; M74-C84 HydrophobicContact CG-CB 3.68Å; M74-C84 HydrophobicContact SD-CB 3.59Å; M74-C84 VanDerWaalsContact SD-CB 3.59Å; M74-V86 HydrophobicContact CE-CG2 4.13Å; M74-V86 HydrophobicContact SD-CG2 3.95Å; M74-Y105 HydrophobicContact CE-CD1 3.72Å; M74-Y105 HydrophobicContact CE-CE1 4.31Å; M74-C107 HydrophobicContact CB-CB 4.43Å; M74-C107 HydrophobicContact CE-CB 4.31Å; M74-C107 PolarHBondContact O-SG 3.05Å
75K94Very high95.1Very high76 Ų7662 Ų6233%0.3328%0.281SS..Hα-helixtrans-57.8-34.6177.9-69.9-171.4-63.9178.60112.7E29 F71 D72 G77 K120E29-K75 IonicContact OE1-NZ 2.87Å; E29-K75 PolarHBondContact OE1-NZ 3.27Å; F71-K75 HydrophobicContact CD1-CD 4.23Å; F71-K75 HydrophobicContact CD1-CG 4.43Å; F71-K75 HydrophobicContact CE1-CD 3.77Å; F71-K75 HydrophobicContact CE1-CG 4.06Å; F71-K75 HydrophobicContact CZ-CD 4.29Å; F71-K75 HydrophobicContact CZ-CG 4.19Å; F71-K75 PolarHBondContact O-N 3.18Å; D72-K75 PolarHBondContact O-N 3.08Å; K75-G77 VanDerWaalsContact C-N 3.31Å; K75-K120 WeakPolarHBondContact O-CG 3.38Å
76R93Very high95.1Very high153 Ų15356.5 Ų56.558%0.57726%0.255SS*.THydrogen-bonded Turntrans-78.4-8.4175.3-71.4-171.9-75164.9-6.4114.4D72 M74 T78D72-R76 WeakPolarHBondContact O-CG 3.38Å; D72-R76 PolarHBondContact O-N 3.31Å; D72-R76 IonicContact OD2-CZ 2.77Å; D72-R76 IonicContact OD2-NE 2.85Å; D72-R76 PolarHBondContact OD2-NE 2.8Å; D72-R76 IonicContact OD2-NH2 3.76Å; D72-R76 PolarHBondContact OD2-NH2 3.18Å; M74-R76 PolarHBondContact O-N 2.94Å; R76-T78 VanDerWaalsContact C-N 3.32Å; R76-T78 HydrophobicContact CB-CG2 4.11Å; R76-T78 PolarHBondContact O-N 3.14Å
77G93.1Very high95.1Very high23 Ų2352.8 Ų52.824%0.23724%0.239CC..THydrogen-bonded Turntrans65.431.5-178.300000113.9K73 M74 K75K73-G77 PolarHBondContact O-N 3Å; M74-G77 PolarHBondContact O-N 2.89Å; K75-G77 VanDerWaalsContact C-N 3.31Å
78T94.8Very high95.1Very high43 Ų4355.8 Ų55.826%0.26425%0.254SS..  trans-67.7160.9176.763.10000111.2K73 R76 L80 G81 L82K73-T78 WeakPolarHBondContact CB-OG1 3.15Å; K73-T78 PolarHBondContact O-N 3.15Å; K73-T78 VanDerWaalsContact O-N 3.1Å; K73-T78 PolarHBondContact O-OG1 2.7Å; R76-T78 VanDerWaalsContact C-N 3.32Å; R76-T78 HydrophobicContact CB-CG2 4.11Å; R76-T78 PolarHBondContact O-N 3.14Å; T78-L80 PolarHBondContact O-N 3.15Å; T78-G81 CarbonylContact O-C 3.53Å; T78-G81 WeakPolarHBondContact O-CA 3.48Å; T78-G81 PolarHBondContact O-N 3.47Å; T78-G81 PolarHBondContact OG1-N 3.15Å; T78-G81 VanDerWaalsContact OG1-N 3.14Å; T78-L82 PolarHBondContact O-N 3.09Å
79E93.7Very high95Very high156 Ų15654.2 Ų54.273%0.72925%0.247SC*.Hα-helixtrans-56-36.6177.7-170-172.4174.300113.1R83E79-R83 PolarHBondContact O-NE 3.27Å
80L93.6Very high94.9Very high43 Ų4350.2 Ų50.223%0.22524%0.235CC..Hα-helixtrans-69.4-43.4171.8-176.361.5000111.2L70 K73 T78 L82 R83 C84L70-L80 HydrophobicContact CD2-CD2 3.75Å; L70-L80 HydrophobicContact CD2-CG 4.39Å; K73-L80 HydrophobicContact CD-CB 4.49Å; K73-L80 HydrophobicContact CD-CD2 3.8Å; T78-L80 PolarHBondContact O-N 3.15Å; L80-L82 VanDerWaalsContact C-N 3.33Å; L80-L82 PolarHBondContact O-N 3.41Å; L80-R83 PolarHBondContact O-N 3.2Å; L80-R83 VanDerWaalsContact O-N 3.15Å; L80-C84 PolarHBondContact O-N 3.4Å; L80-C84 PolarHBondContact O-SG 2.85Å
81G94.3Very high94.7Very high0 Ų054 Ų540%026%0.256CS..Hα-helixtrans-58.8-40.6178.200000113.7T78 R83 C84 C107T78-G81 CarbonylContact O-C 3.53Å; T78-G81 WeakPolarHBondContact O-CA 3.48Å; T78-G81 PolarHBondContact O-N 3.47Å; T78-G81 PolarHBondContact OG1-N 3.15Å; T78-G81 VanDerWaalsContact OG1-N 3.14Å; G81-R83 PolarHBondContact O-N 3.16Å; G81-C84 PolarHBondContact O-N 3.35Å; G81-C84 VanDerWaalsContact O-N 3.08Å; G81-C107 WeakPolarHBondContact O-CB 3.5Å
82L93.9Very high94.4Very high75 Ų7554.5 Ų54.539%0.39326%0.258SS..Hα-helixtrans-63.7-25.8177.4-73.3166.3000113.2T78 L80 C107 A109T78-L82 PolarHBondContact O-N 3.09Å; L80-L82 VanDerWaalsContact C-N 3.33Å; L80-L82 PolarHBondContact O-N 3.41Å; L82-C107 HydrophobicContact CD2-CB 4.39Å; L82-C107 VanDerWaalsContact CD2-SG 3.53Å; L82-A109 HydrophobicContact CD2-CB 4.1Å
83R93.8Very high94.2Very high158 Ų15854.3 Ų54.360%0.59627%0.266SS*.Hα-helixtrans-88-13.8175.6-66.7-175.5-70168.9-2.9113.4E79 L80 G81E79-R83 PolarHBondContact O-NE 3.27Å; L80-R83 PolarHBondContact O-N 3.2Å; L80-R83 VanDerWaalsContact O-N 3.15Å; G81-R83 PolarHBondContact O-N 3.16Å
84C95.6Very high94Very high5 Ų552.2 Ų52.23%0.03426%0.259CS..  trans-88.1157.3-178.2-65.80000111.7V39 D40 M74 L80 G81V39-C84 HydrophobicContact CG1-CB 3.63Å; D40-C84 CarbonylContact O-C 3.54Å; D40-C84 WeakPolarHBondContact O-CA 3.34Å; M74-C84 HydrophobicContact CE-CB 4.14Å; M74-C84 WeakPolarHBondContact CE-O 3.27Å; M74-C84 HydrophobicContact CG-CB 3.68Å; M74-C84 HydrophobicContact SD-CB 3.59Å; M74-C84 VanDerWaalsContact SD-CB 3.59Å; L80-C84 PolarHBondContact O-N 3.4Å; L80-C84 PolarHBondContact O-SG 2.85Å; G81-C84 PolarHBondContact O-N 3.35Å; G81-C84 VanDerWaalsContact O-N 3.08Å
85C95.8Very high93.9Very high9 Ų958.5 Ų58.56%0.06129%0.292CS..EExtended strand (participates in β ladder)trans-137.8156.6162.570.10000110.9V39 D40 T103 Y105 R106V39-C85 WeakPolarHBondContact CA-O 3.41Å; D40-C85 PolarHBondContact N-O 3.08Å; D40-C85 PolarHBondContact O-N 3Å; C85-T103 HydrophobicContact CB-CG2 3.72Å; C85-Y105 WeakPolarHBondContact CA-O 3.38Å; C85-Y105 WeakPolarHBondContact CB-O 3.33Å; C85-R106 HydrophobicContact CB-CG 4.21Å
86V96.8Very high93.8Very high0 Ų059 Ų590%030%0.299CS..EExtended strand (participates in β ladder)trans-95.4130.3172.9-173.80000108.9L32 A37 Y38 V39 F71 M74 T103 I104 Y105L32-V86 HydrophobicContact CD1-CG1 4.41Å; L32-V86 HydrophobicContact CD2-CG1 4.03Å; L32-V86 HydrophobicContact CG-CG1 4.33Å; A37-V86 HydrophobicContact CB-CG1 4.01Å; Y38-V86 WeakPolarHBondContact O-CA 3.25Å; V39-V86 HydrophobicContact CG2-CG2 4.34Å; F71-V86 HydrophobicContact CD2-CG2 3.51Å; F71-V86 HydrophobicContact CE2-CG2 3.72Å; M74-V86 HydrophobicContact CE-CG2 4.13Å; M74-V86 HydrophobicContact SD-CG2 3.95Å; V86-T103 CarbonylContact O-C 3.55Å; V86-T103 WeakPolarHBondContact O-CA 3.37Å; V86-T103 WeakPolarHBondContact O-CG2 3.18Å; V86-I104 HydrophobicContact CB-CG1 3.97Å; V86-I104 HydrophobicContact CG1-CD1 3.83Å; V86-I104 HydrophobicContact CG1-CG1 3.71Å; V86-I104 PolarHBondContact O-N 3.3Å; V86-Y105 HydrophobicContact CG2-CG 4.48Å; V86-Y105 PolarHBondContact N-O 3.29Å; V86-Y105 PolarHBondContact O-N 3.35Å
87R96Very high93.7Very high2 Ų253 Ų531%0.00829%0.285CS..EExtended strand (participates in β ladder)trans-121.7140.2179-60.8179.668178.9-1.9110.3A37 Y38 D40 M47 L57 D101 P102A37-R87 CarbonylContact C-O 3.54Å; A37-R87 WeakPolarHBondContact CA-O 3.48Å; A37-R87 WeakPolarHBondContact CB-O 3.49Å; Y38-R87 HydrophobicContact CD1-CB 4.42Å; Y38-R87 HydrophobicContact CE1-CB 3.84Å; Y38-R87 HydrophobicContact CE2-CB 4.26Å; Y38-R87 PolarHBondContact N-O 2.85Å; Y38-R87 PolarHBondContact O-N 2.97Å; Y38-R87 PolarHBondContact OH-NE 2.93Å; D40-R87 HydrophobicContact CB-CG 4.2Å; D40-R87 WeakPolarHBondContact OD2-CD 3.49Å; D40-R87 IonicContact OD2-CZ 3.88Å; D40-R87 IonicContact OD2-NE 2.78Å; D40-R87 IonicContact OD2-NH1 2.9Å; D40-R87 PolarHBondContact OD2-NH1 2.68Å; M47-R87 PolarHBondContact SD-NH1 2.92Å; L57-R87 VanDerWaalsContact CD1-CZ 3.45Å; R87-D101 VanDerWaalsContact CZ-O 3.32Å; R87-D101 PolarHBondContact NE-O 3.43Å; R87-D101 PolarHBondContact NH2-O 2.85Å; R87-P102 WeakPolarHBondContact CA-O 3.13Å
88M95.6Very high93.7Very high63 Ų6356.1 Ų56.131%0.3130%0.302SS..EExtended strand (participates in β ladder)trans-80.1134.8176.7-169167.3151.100109.4M90 D101 P102 I104M88-M90 HydrophobicContact CB-CE 4.45Å; M88-M90 HydrophobicContact CE-CE 4.04Å; M88-M90 HydrophobicContact CE-CG 3.88Å; M88-M90 HydrophobicContact CE-SD 3.69Å; M88-M90 HydrophobicContact CG-CE 4.37Å; M88-M90 HydrophobicContact CG-CG 4.01Å; M88-M90 PolarHBondContact O-N 3.44Å; M88-M90 HydrophobicContact SD-CE 3.97Å; M88-M90 HydrophobicContact SD-CG 4.44Å; M88-M90 HydrophobicContact SD-SD 4.38Å; M88-D101 WeakPolarHBondContact O-CA 3.41Å; M88-D101 WeakPolarHBondContact O-CB 3.22Å; M88-D101 VanDerWaalsContact O-CG 3.32Å; M88-P102 HydrophobicContact CB-CG 4.49Å; M88-P102 PolarHBondContact N-O 3.25Å; M88-I104 HydrophobicContact CB-CG2 4.04Å
89K94.1Very high93.6Very high55 Ų5557.5 Ų57.524%0.23931%0.307CS..  trans-78.6102.7173.8-62.1-166.6-159-175.70108.7G35 Q36 Y38 R60G35-K89 WeakPolarHBondContact O-CD 3.22Å; G35-K89 WeakPolarHBondContact O-CE 3.28Å; G35-K89 PolarHBondContact O-NZ 3.44Å; Q36-K89 PolarHBondContact O-N 2.78Å; Y38-K89 HydrophobicContact CD1-CD 4.18Å; Y38-K89 HydrophobicContact CD1-CG 3.49Å; Y38-K89 VanDerWaalsContact CD1-CG 3.49Å; Y38-K89 HydrophobicContact CE1-CG 3.93Å; R60-K89 HydrophobicContact CG-CD 4.37Å; R60-K89 HydrophobicContact CG-CG 4.46Å; R60-K89 WeakPolarHBondContact O-CE 3.19Å; R60-K89 PolarHBondContact O-NZ 2.9Å
90M93.7Very high93.6Very high59 Ų5951.5 Ų51.529%0.29128%0.278SS..  trans-120.6-124.2173.8-70.2-155.1-95.200108.3R60 M88 L99 D101 P102R60-M90 PolarHBondContact NH2-O 3.03Å; M88-M90 HydrophobicContact CB-CE 4.45Å; M88-M90 HydrophobicContact CE-CE 4.04Å; M88-M90 HydrophobicContact CE-CG 3.88Å; M88-M90 HydrophobicContact CE-SD 3.69Å; M88-M90 HydrophobicContact CG-CE 4.37Å; M88-M90 HydrophobicContact CG-CG 4.01Å; M88-M90 PolarHBondContact O-N 3.44Å; M88-M90 HydrophobicContact SD-CE 3.97Å; M88-M90 HydrophobicContact SD-CG 4.44Å; M88-M90 HydrophobicContact SD-SD 4.38Å; M90-L99 WeakPolarHBondContact CB-O 3.44Å; M90-L99 HydrophobicContact CE-CD2 4.16Å; M90-L99 HydrophobicContact SD-CD2 3.89Å; M90-D101 VanDerWaalsContact C-OD1 3.29Å; M90-D101 WeakPolarHBondContact CA-OD1 3.15Å; M90-D101 PolarHBondContact N-OD1 3.1Å; M90-P102 HydrophobicContact CE-CG 3.1Å
91N91.7Very high93.6Very high86 Ų8649.5 Ų49.546%0.4627%0.267SS..  trans-126.6102.7-174.2-177.24000110.9A93 S94 L99N91-A93 PolarHBondContact O-N 3.44Å; N91-A93 WeakPolarHBondContact OD1-CA 3.36Å; N91-A93 WeakPolarHBondContact OD1-CB 3.32Å; N91-A93 PolarHBondContact OD1-N 3.13Å; N91-S94 WeakPolarHBondContact O-CB 3.17Å; N91-S94 PolarHBondContact O-N 2.89Å; N91-S94 VanDerWaalsContact O-N 3.13Å; N91-S94 PolarHBondContact OD1-N 3.25Å; N91-L99 PolarHBondContact N-O 3.48Å
92M90.2Very high93.6Very high14 Ų1450.9 Ų50.97%0.06928%0.276CS..THydrogen-bonded Turntrans-63.2-22.7175.2-74.3-64.4-72.400113.6R51 R55 L57 R100 D101R51-M92 HydrophobicContact CB-CE 4.36Å; R55-M92 WeakPolarHBondContact O-CE 3.41Å; L57-M92 HydrophobicContact CD1-CE 3.63Å; L57-M92 HydrophobicContact CD1-SD 3.93Å; L57-M92 HydrophobicContact CG-CE 4.18Å; M92-R100 WeakPolarHBondContact O-CD 3.15Å; M92-R100 HydrophobicContact SD-CB 3.95Å; M92-D101 HydrophobicContact CG-CB 4.46Å; M92-D101 HydrophobicContact SD-CB 3.8Å
93A91.5Very high93.7Very high59 Ų5949.2 Ų49.249%0.48827%0.269SS..THydrogen-bonded Turntrans-87.6-4.7177.400000113.7R54 N91R54-A93 PolarHBondContact NH1-O 3.14Å; N91-A93 PolarHBondContact O-N 3.44Å; N91-A93 WeakPolarHBondContact OD1-CA 3.36Å; N91-A93 WeakPolarHBondContact OD1-CB 3.32Å; N91-A93 PolarHBondContact OD1-N 3.13Å
94S92.5Very high93.8Very high18 Ų1844.8 Ų44.813%0.12626%0.257CS..  trans-57.5138-178.5171.30000112.4N91 N96 R100N91-S94 WeakPolarHBondContact O-CB 3.17Å; N91-S94 PolarHBondContact O-N 2.89Å; N91-S94 VanDerWaalsContact O-N 3.13Å; N91-S94 PolarHBondContact OD1-N 3.25Å; S94-N96 VanDerWaalsContact C-N 3.26Å; S94-N96 PolarHBondContact O-N 3.29Å; S94-N96 PolarHBondContact OG-N 2.84Å; S94-N96 VanDerWaalsContact OG-N 3.08Å; S94-N96 PolarHBondContact OG-O 2.78Å; S94-R100 PolarHBondContact O-NE 2.6Å; S94-R100 PolarHBondContact O-NH2 3.11Å; S94-R100 VanDerWaalsContact O-NH2 3.09Å
95D93.3Very high93.8Very high132 Ų13246.2 Ų46.271%0.70626%0.262SS*.SBendtrans-67.9-30.4171.3-68.3-35.2000111.8R54 G97R54-D95 IonicContact CZ-OD1 3.28Å; R54-D95 VanDerWaalsContact CZ-OD1 3.28Å; R54-D95 IonicContact NH1-OD1 2.66Å; R54-D95 PolarHBondContact NH1-OD1 3.31Å; R54-D95 IonicContact NH2-OD1 2.81Å; R54-D95 PolarHBondContact NH2-OD1 3.09Å; D95-G97 PolarHBondContact O-N 2.78Å; D95-G97 VanDerWaalsContact O-N 3.14Å
96N93.6Very high93.7Very high86 Ų8653.2 Ų53.246%0.4629%0.287SS..SBendtrans-73106166.9-176.3-8.7000109.7S94 C98 L99S94-N96 VanDerWaalsContact C-N 3.26Å; S94-N96 PolarHBondContact O-N 3.29Å; S94-N96 PolarHBondContact OG-N 2.84Å; S94-N96 VanDerWaalsContact OG-N 3.08Å; S94-N96 PolarHBondContact OG-O 2.78Å; N96-C98 PolarHBondContact O-N 3.48Å; N96-C98 VanDerWaalsContact OD1-CB 3.27Å; N96-C98 WeakPolarHBondContact OD1-CB 3.39Å; N96-C98 PolarHBondContact OD1-N 2.81Å; N96-L99 HydrophobicContact CB-CD1 4.14Å; N96-L99 HydrophobicContact CB-CG 4.21Å; N96-L99 PolarHBondContact O-N 3.14Å
97G89.7Confident93.5Very high28 Ų2853.8 Ų53.829%0.28929%0.291SS..G310 helixtrans-54.6-32.317800000113.4R51 D95 L99 R100R51-G97 PolarHBondContact NE-O 2.89Å; R51-G97 PolarHBondContact NH2-O 3.41Å; D95-G97 PolarHBondContact O-N 2.78Å; D95-G97 VanDerWaalsContact O-N 3.14Å; G97-L99 PolarHBondContact O-N 2.78Å; G97-R100 WeakPolarHBondContact O-CB 3.41Å; G97-R100 PolarHBondContact O-N 3.16Å; G97-R100 VanDerWaalsContact O-N 3.15Å
98C92.7Very high93.2Very high87 Ų8759.9 Ų59.959%0.58832%0.317SS*.G310 helixtrans-65.9-24.1179.1-62.30000113.5N96 P102N96-C98 PolarHBondContact O-N 3.48Å; N96-C98 VanDerWaalsContact OD1-CB 3.27Å; N96-C98 WeakPolarHBondContact OD1-CB 3.39Å; N96-C98 PolarHBondContact OD1-N 2.81Å; C98-P102 WeakPolarHBondContact O-CG 3.2Å
99L93.5Very high92.7Very high73 Ų7360.6 Ų60.638%0.38233%0.333SS..G310 helixtrans-88.7-1.9177.2-61178.9000113.5M90 N91 N96 G97 D101M90-L99 WeakPolarHBondContact CB-O 3.44Å; M90-L99 HydrophobicContact CE-CD2 4.16Å; M90-L99 HydrophobicContact SD-CD2 3.89Å; N91-L99 PolarHBondContact N-O 3.48Å; N96-L99 HydrophobicContact CB-CD1 4.14Å; N96-L99 HydrophobicContact CB-CG 4.21Å; N96-L99 PolarHBondContact O-N 3.14Å; G97-L99 PolarHBondContact O-N 2.78Å; L99-D101 VanDerWaalsContact C-N 3.29Å; L99-D101 PolarHBondContact O-N 3.16Å
100R93.6Very high92.5Very high30 Ų3065.2 Ų65.211%0.11336%0.356CS..SBendtrans-81.479176-57.7-176.1-166.11579.6110.3R51 M92 S94 G97R51-R100 HydrophobicContact CG-CB 3.76Å; R51-R100 PolarHBondContact NE-O 3.1Å; R51-R100 VanDerWaalsContact NE-O 3.14Å; R51-R100 WeakPolarHBondContact O-CD 3.49Å; R51-R100 PolarHBondContact O-NH1 3.2Å; R51-R100 VanDerWaalsContact O-NH1 3.15Å; M92-R100 WeakPolarHBondContact O-CD 3.15Å; M92-R100 HydrophobicContact SD-CB 3.95Å; S94-R100 PolarHBondContact O-NE 2.6Å; S94-R100 PolarHBondContact O-NH2 3.11Å; S94-R100 VanDerWaalsContact O-NH2 3.09Å; G97-R100 WeakPolarHBondContact O-CB 3.41Å; G97-R100 PolarHBondContact O-N 3.16Å; G97-R100 VanDerWaalsContact O-N 3.15Å
101D94Very high92.3Very high0 Ų068.8 Ų68.80%037%0.372CS..SBendtrans41.468.4178.6-64.45.7000113.2Y38 R60 R87 M88 M90 M92 L99Y38-D101 HydrophobicContact CE1-CB 4.42Å; R60-D101 VanDerWaalsContact CD-OD2 3.32Å; R60-D101 WeakPolarHBondContact CD-OD2 3.37Å; R60-D101 IonicContact NE-OD2 3.71Å; R60-D101 PolarHBondContact NE-OD2 3.25Å; R87-D101 VanDerWaalsContact CZ-O 3.32Å; R87-D101 PolarHBondContact NE-O 3.43Å; R87-D101 PolarHBondContact NH2-O 2.85Å; M88-D101 WeakPolarHBondContact O-CA 3.41Å; M88-D101 WeakPolarHBondContact O-CB 3.22Å; M88-D101 VanDerWaalsContact O-CG 3.32Å; M90-D101 VanDerWaalsContact C-OD1 3.29Å; M90-D101 WeakPolarHBondContact CA-OD1 3.15Å; M90-D101 PolarHBondContact N-OD1 3.1Å; M92-D101 HydrophobicContact CG-CB 4.46Å; M92-D101 HydrophobicContact SD-CB 3.8Å; L99-D101 VanDerWaalsContact C-N 3.29Å; L99-D101 PolarHBondContact O-N 3.16Å
102P94.5Very high92.3Very high29 Ų2967.7 Ų67.719%0.18836%0.364CS..  trans-67.6150.4-176.429.5-35.3000111.7R87 M88 M90 C98R87-P102 WeakPolarHBondContact CA-O 3.13Å; M88-P102 HydrophobicContact CB-CG 4.49Å; M88-P102 PolarHBondContact N-O 3.25Å; M90-P102 HydrophobicContact CE-CG 3.1Å; C98-P102 WeakPolarHBondContact O-CG 3.2Å
103T95.1Very high92.4Very high40 Ų4072.9 Ų72.925%0.24540%0.396CS..EExtended strand (participates in β ladder)trans-73.1126.5174.2-48.20000110.5C85 V86 Y105 R106C85-T103 HydrophobicContact CB-CG2 3.72Å; V86-T103 CarbonylContact O-C 3.55Å; V86-T103 WeakPolarHBondContact O-CA 3.37Å; V86-T103 WeakPolarHBondContact O-CG2 3.18Å; T103-Y105 WeakPolarHBondContact CG2-O 3.42Å; T103-R106 HydrophobicContact CG2-CG 3.66Å
104I95.9Very high92.3Very high65 Ų6575.4 Ų75.433%0.33339%0.393SS..EExtended strand (participates in β ladder)trans-108.6-20.5178.362.4171.8000113.1L31 A37 V86 M88L31-I104 HydrophobicContact CD1-CD1 3.95Å; A37-I104 HydrophobicContact CB-CD1 4.24Å; V86-I104 HydrophobicContact CB-CG1 3.97Å; V86-I104 HydrophobicContact CG1-CD1 3.83Å; V86-I104 HydrophobicContact CG1-CG1 3.71Å; V86-I104 PolarHBondContact O-N 3.3Å; M88-I104 HydrophobicContact CB-CG2 4.04Å
105Y95.8Very high92.2Very high35 Ų3576 Ų7614%0.13740%0.396CS..EExtended strand (participates in β ladder)trans-143.6140.4176.4-164.2-88000111.1L25 F71 M74 C85 V86 T103 K120L25-Y105 HydrophobicContact CD2-CD2 4.04Å; L25-Y105 HydrophobicContact CD2-CE2 3.3Å; L25-Y105 HydrophobicContact CG-CE2 4.25Å; F71-Y105 AromaticContact CE2-CD1 3.97Å; F71-Y105 HydrophobicContact CE2-CD1 3.97Å; F71-Y105 HydrophobicContact CE2-CE1 4.33Å; F71-Y105 HydrophobicContact CE2-CG 4.13Å; M74-Y105 HydrophobicContact CE-CD1 3.72Å; M74-Y105 HydrophobicContact CE-CE1 4.31Å; C85-Y105 WeakPolarHBondContact CA-O 3.38Å; C85-Y105 WeakPolarHBondContact CB-O 3.33Å; V86-Y105 HydrophobicContact CG2-CG 4.48Å; V86-Y105 PolarHBondContact N-O 3.29Å; V86-Y105 PolarHBondContact O-N 3.35Å; T103-Y105 WeakPolarHBondContact CG2-O 3.42Å; Y105-K120 PolarHBondContact OH-O 2.87Å
106R94.4Very high92.1Very high156 Ų15675.9 Ų75.959%0.58939%0.389SS*.EExtended strand (participates in β ladder)trans-134.2143.4173-66.3-175.9-176.1-123-4.1108.9C85 T103C85-R106 HydrophobicContact CB-CG 4.21Å; T103-R106 HydrophobicContact CG2-CG 3.66Å
107C91.5Very high91.7Very high12 Ų1273 Ų738%0.08138%0.379CS..  trans-86.7131.8171.9-171.80000109.4M74 G81 L82 K120M74-C107 HydrophobicContact CB-CB 4.43Å; M74-C107 HydrophobicContact CE-CB 4.31Å; M74-C107 PolarHBondContact O-SG 3.05Å; G81-C107 WeakPolarHBondContact O-CB 3.5Å; L82-C107 HydrophobicContact CD2-CB 4.39Å; L82-C107 VanDerWaalsContact CD2-SG 3.53Å; C107-K120 WeakPolarHBondContact CA-OXT 3.26Å; C107-K120 PolarHBondContact SG-OXT 3.03Å
108K89.8Confident91.7Very high131 Ų13178 Ų7857%0.5739%0.393SS*.  trans-132.7128.9174.4-70.1-169.5173.2-165.70109.8E110 K120K108-E110 PolarHBondContact O-N 3.18Å; K108-K120 PolarHBondContact N-OXT 2.94Å
109A85.6Confident91.5Very high78 Ų7876 Ų7665%0.64537%0.373SS*.  trans-71.6-13.7177.900000114.2L82L82-A109 HydrophobicContact CD2-CB 4.1Å
110E89Confident91.2Very high152 Ų15276.1 Ų76.171%0.7137%0.371SS*.SBendtrans-70.2142-177.5-68168.2-145.400112.6K108K108-E110 PolarHBondContact O-N 3.18Å
111E90.1Very high91Very high134 Ų13478.4 Ų78.463%0.62638%0.384SS*.PPolyproline II helixtrans-77137.7176.7-68.5-160.3113.800112.2G117E111-G117 PolarHBondContact OE1-N 3.26Å
112H91.5Very high90.9Very high63 Ų6382.5 Ų82.529%0.29240%0.404SS..BIsolated β-bridgetrans-83.7137174.4179.6-101.3000111S18 R114 T115 K116S18-H112 WeakPolarHBondContact CB-CE1 3.33Å; S18-H112 PolarHBondContact OG-CE1 3.21Å; H112-R114 PolarHBondContact ND1-N 2.97Å; H112-R114 PolarHBondContact O-N 3.21Å; H112-T115 VanDerWaalsContact CB-OG1 3.29Å; H112-T115 WeakPolarHBondContact CB-OG1 3.3Å; H112-T115 PolarHBondContact ND1-N 3.43Å; H112-T115 PolarHBondContact ND1-OG1 2.99Å; H112-T115 PolarHBondContact O-N 3.49Å; H112-K116 PolarHBondContact N-O 3.15Å; H112-K116 WeakPolarHBondContact O-CA 3.36Å; H112-K116 PolarHBondContact O-N 3.24Å
113V92.6Very high90.7Very high123 Ų12385.5 Ų85.575%0.74542%0.416SS*.THydrogen-bonded Turntrans-53.1-35.2-173.4-66.80000114.8
114R89.4Confident90.4Very high112 Ų11288.2 Ų88.242%0.42343%0.426SS..THydrogen-bonded Turntrans-100.2-37.6179.9-71.6-174.269.9-154.3-0.2114.6R16 D19 H112R16-R114 VanDerWaalsContact NH1-NH1 3.19Å; D19-R114 IonicContact OD1-CZ 2.68Å; D19-R114 IonicContact OD1-NH1 2.7Å; D19-R114 PolarHBondContact OD1-NH1 3.15Å; D19-R114 IonicContact OD1-NH2 2.86Å; D19-R114 PolarHBondContact OD1-NH2 3.38Å; D19-R114 IonicContact OD2-CZ 3.09Å; D19-R114 IonicContact OD2-NH1 2.89Å; D19-R114 PolarHBondContact OD2-NH1 3.03Å; D19-R114 IonicContact OD2-NH2 3.96Å; H112-R114 PolarHBondContact ND1-N 2.97Å; H112-R114 PolarHBondContact O-N 3.21Å
115T90.7Very high90.1Very high31 Ų3189.6 Ų89.619%0.1943%0.432CS..THydrogen-bonded Turntrans-99.71.1-173.453.40000112.4H112 K118 Y119H112-T115 VanDerWaalsContact CB-OG1 3.29Å; H112-T115 WeakPolarHBondContact CB-OG1 3.3Å; H112-T115 PolarHBondContact ND1-N 3.43Å; H112-T115 PolarHBondContact ND1-OG1 2.99Å; H112-T115 PolarHBondContact O-N 3.49Å; T115-K118 WeakPolarHBondContact O-CB 3.4Å; T115-K118 PolarHBondContact O-N 3.36Å; T115-K118 VanDerWaalsContact O-N 3.1Å; T115-Y119 HydrophobicContact CG2-CD2 4.21Å; T115-Y119 HydrophobicContact CG2-CE2 3.85Å
116K90.7Very high89.7Confident128 Ų12893.3 Ų93.356%0.55745%0.451SS*.BIsolated β-bridgetrans51.2-139.7178.6-56.4-63.6-174.7175.30110.1H112 K118H112-K116 PolarHBondContact N-O 3.15Å; H112-K116 WeakPolarHBondContact O-CA 3.36Å; H112-K116 PolarHBondContact O-N 3.24Å; K116-K118 VanDerWaalsContact C-N 3.28Å; K116-K118 PolarHBondContact O-N 3.49Å
117G85.9Confident89.4Confident25 Ų2588.8 Ų88.826%0.25844%0.442SS..THydrogen-bonded Turntrans-77.710.5175.900000116.9E111 Y119 K120E111-G117 PolarHBondContact OE1-N 3.26Å; G117-Y119 VanDerWaalsContact C-N 3.29Å; G117-Y119 PolarHBondContact O-N 2.91Å; G117-K120 WeakPolarHBondContact O-CE 3.4Å; G117-K120 PolarHBondContact O-NZ 3.2Å
118K89Confident89.2Confident134 Ų13494.7 Ų94.758%0.58347%0.469SS*.THydrogen-bonded Turntrans-60.1-38.3-178.1-175.9179.6178.8-168.10112.5E22 T115 K116E22-K118 IonicContact OE2-NZ 3.91Å; T115-K118 WeakPolarHBondContact O-CB 3.4Å; T115-K118 PolarHBondContact O-N 3.36Å; T115-K118 VanDerWaalsContact O-N 3.1Å; K116-K118 VanDerWaalsContact C-N 3.28Å; K116-K118 PolarHBondContact O-N 3.49Å
119Y89.4Confident89.2Confident44 Ų4491.7 Ų91.717%0.17346%0.461CS..  trans-113.2139.8-179.7-54-68.5000109.3F21 L25 T115 G117F21-Y119 HydrophobicContact CB-CD2 4.17Å; F21-Y119 HydrophobicContact CB-CE1 4.37Å; F21-Y119 HydrophobicContact CB-CE2 3.71Å; F21-Y119 AromaticContact CD2-CD2 3.6Å; F21-Y119 HydrophobicContact CD2-CD2 3.6Å; F21-Y119 AromaticContact CD2-CE2 3.79Å; F21-Y119 HydrophobicContact CD2-CE2 3.79Å; F21-Y119 HydrophobicContact CD2-CG 4.36Å; F21-Y119 HydrophobicContact CE2-CD2 4.49Å; F21-Y119 HydrophobicContact CG-CD2 4.38Å; F21-Y119 HydrophobicContact CG-CE2 4.28Å; L25-Y119 HydrophobicContact CD1-CD1 3.46Å; L25-Y119 VanDerWaalsContact CD1-CD1 3.46Å; L25-Y119 HydrophobicContact CD1-CE1 3.47Å; L25-Y119 VanDerWaalsContact CD1-CE1 3.47Å; T115-Y119 HydrophobicContact CG2-CD2 4.21Å; T115-Y119 HydrophobicContact CG2-CE2 3.85Å; G117-Y119 VanDerWaalsContact C-N 3.29Å; G117-Y119 PolarHBondContact O-N 2.91Å
120K86.1Confident89.5Confident76 Ų7692.9 Ų92.933%0.3344%0.444SS..  trans-112.80175.8-53.8-59-178.6-170.30109.5K75 Y105 C107 K108 G117K75-K120 WeakPolarHBondContact O-CG 3.38Å; Y105-K120 PolarHBondContact OH-O 2.87Å; C107-K120 WeakPolarHBondContact CA-OXT 3.26Å; C107-K120 PolarHBondContact SG-OXT 3.03Å; K108-K120 PolarHBondContact N-OXT 2.94Å; G117-K120 WeakPolarHBondContact O-CE 3.4Å; G117-K120 PolarHBondContact O-NZ 3.2Å

Retrieved 120 of 120 residues in 170.5 ms (Link to these results)

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