A0A077ZL90_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZL90, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 169 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
1M34.9Very low35Very low205 Ų205129.3 Ų129.3100%1.0165%0.654SS**  0109.50-170.3175.685.600107.6F66M1-F66 HydrophobicContact CE-CE2 4.48Å
2I27.9Very low35.7Very low155 Ų155131.1 Ų131.180%0.79567%0.665SS**  trans-88.9116.8-179.8-62.5173.2000107.5L4I2-L4 PolarHBondContact O-N 3.24Å
3L30.6Very low36.6Very low94 Ų94125.8 Ų125.849%0.49265%0.645SS.*  trans-83.1103.7177.4-157.782.4000108.8L5 M31L3-L5 HydrophobicContact CD2-CD2 3.95Å; L3-L5 HydrophobicContact CD2-CG 4.31Å; L3-L5 PolarHBondContact O-N 2.97Å; L3-M31 HydrophobicContact CD1-CE 3.88Å; L3-M31 HydrophobicContact CD2-CE 4Å; L3-M31 HydrophobicContact CG-CE 4.3Å
4L30Very low37.8Very low122 Ų122125.4 Ų125.464%0.63965%0.645SS**  trans-84.598.3171.5-72.6165.7000108.2I2I2-L4 PolarHBondContact O-N 3.24Å
5L33.7Very low38.4Very low83 Ų83122.9 Ų122.944%0.43564%0.637SS.*PPolyproline II helixtrans-69.3125.8170.7-67.9169.6000108.5L3 R7 V29L3-L5 HydrophobicContact CD2-CD2 3.95Å; L3-L5 HydrophobicContact CD2-CG 4.31Å; L3-L5 PolarHBondContact O-N 2.97Å; L5-R7 PolarHBondContact O-N 2.99Å; L5-V29 HydrophobicContact CD2-CG1 4.19Å
6P34.2Very low38.8Very low68 Ų68120.8 Ų120.844%0.44263%0.632SS.*PPolyproline II helixtrans-57.8141.6169.921.7-28000109.1
7R34.4Very low39.2Very low176 Ų176117.7 Ų117.766%0.66462%0.616SS**PPolyproline II helixtrans-47.9128.9176.6-74.5-176.8-176.3170.70.9107.7L5 R9 D90L5-R7 PolarHBondContact O-N 2.99Å; R7-R9 PolarHBondContact O-N 3.1Å; R7-D90 IonicContact CZ-OD2 3.55Å; R7-D90 IonicContact NH1-OD2 2.9Å; R7-D90 IonicContact NH2-OD1 2.71Å; R7-D90 IonicContact NH2-OD2 3.86Å; R7-D90 PolarHBondContact NH2-OD2 3.04Å
8P36.8Very low39.7Very low124 Ų124117.7 Ų117.781%0.80562%0.624SS**  trans-53.8113.9171-18.729000106.7
9R40.8Very low40.5Very low161 Ų161121.2 Ų121.261%0.60864%0.636SS**  trans-60.7135.5162.6-75.3-173.9-94-149.4-2105.2R7 F11R7-R9 PolarHBondContact O-N 3.1Å; R9-F11 HydrophobicContact CB-CD2 4.07Å; R9-F11 HydrophobicContact CB-CE2 3.74Å; R9-F11 HydrophobicContact CB-CZ 4.11Å; R9-F11 VanDerWaalsContact O-CD2 3.24Å; R9-F11 WeakPolarHBondContact O-CD2 3.44Å; R9-F11 PolarHBondContact O-N 2.86Å
10P42.4Very low41Very low131 Ų131117 Ų11785%0.85162%0.617SS**  trans-65.685.3172.627.7-31.8000106.8L12P10-L12 PolarHBondContact O-N 2.97Å
11F39.7Very low41.6Very low103 Ų103117.4 Ų117.445%0.45262%0.616SS.*PPolyproline II helixtrans-71.6124.5168.3-71.9-77.8000105.5R9R9-F11 HydrophobicContact CB-CD2 4.07Å; R9-F11 HydrophobicContact CB-CE2 3.74Å; R9-F11 HydrophobicContact CB-CZ 4.11Å; R9-F11 VanDerWaalsContact O-CD2 3.24Å; R9-F11 WeakPolarHBondContact O-CD2 3.44Å; R9-F11 PolarHBondContact O-N 2.86Å
12L43.7Very low42.2Very low151 Ų151109.5 Ų109.579%0.79158%0.579SS**PPolyproline II helixtrans-54.1127.7163.5-74.4161.7000106.2P10 D14P10-L12 PolarHBondContact O-N 2.97Å; L12-D14 PolarHBondContact O-N 2.85Å
13P47.3Very low43.6Very low62 Ų62104 Ų10440%0.40355%0.551SS.*PPolyproline II helixtrans-58.9116.317724.4-32.7000108.2V15 V16 L23P13-V15 PolarHBondContact O-N 3.26Å; P13-V15 VanDerWaalsContact O-N 3.17Å; P13-V16 HydrophobicContact CB-CG2 3.58Å; P13-V16 HydrophobicContact CG-CG2 3.44Å; P13-V16 VanDerWaalsContact CG-CG2 3.44Å; P13-L23 HydrophobicContact CB-CD1 3.67Å
14D53.2Low44.8Very low120 Ų120102 Ų10264%0.64254%0.541SS*.SBendtrans-60.6-31-172.1-77.4-39.2000111.5L12 H26L12-D14 PolarHBondContact O-N 2.85Å; D14-H26 IonicContact OD2-CD2 3.55Å
15V46.7Very low46Very low88 Ų8899.1 Ų99.153%0.53353%0.525SS..  trans-149.8103.9174.1-174.40000108.9P13 N17P13-V15 PolarHBondContact O-N 3.26Å; P13-V15 VanDerWaalsContact O-N 3.17Å; V15-N17 PolarHBondContact O-N 2.71Å
16V43.9Very low47.3Very low90 Ų9098.5 Ų98.555%0.54552%0.52SS..BIsolated β-bridgetrans-86.5100.2160-175.20000106.3P13 P18 L23P13-V16 HydrophobicContact CB-CG2 3.58Å; P13-V16 HydrophobicContact CG-CG2 3.44Å; P13-V16 VanDerWaalsContact CG-CG2 3.44Å; V16-P18 VanDerWaalsContact O-CD 3.24Å; V16-P18 WeakPolarHBondContact O-CD 3.45Å; V16-L23 HydrophobicContact CG2-CD1 3.88Å
17N47.1Very low48.5Very low68 Ų6897.2 Ų97.236%0.36451%0.511SS..  trans-77.7111.6165.2175.23.6000107.5V15 Q19 S20V15-N17 PolarHBondContact O-N 2.71Å; N17-Q19 PolarHBondContact O-N 3.46Å; N17-Q19 VanDerWaalsContact O-N 3.13Å; N17-Q19 PolarHBondContact OD1-N 3.47Å; N17-S20 WeakPolarHBondContact CB-OG 3.4Å; N17-S20 PolarHBondContact ND2-OG 2.73Å; N17-S20 VanDerWaalsContact ND2-OG 3.15Å; N17-S20 PolarHBondContact O-N 3.06Å
18P48Very low49.7Very low118 Ų11890.6 Ų90.677%0.76649%0.491SS*.THydrogen-bonded Turntrans-63.3-20.5-177.425.8-33.9000113.2V16V16-P18 VanDerWaalsContact O-CD 3.24Å; V16-P18 WeakPolarHBondContact O-CD 3.45Å
19Q54.9Low50.8Low183 Ų18385.7 Ų85.786%0.85546%0.458SS*.THydrogen-bonded Turntrans-87.5-19179.7-91.6-178.9-33.400114.7N17N17-Q19 PolarHBondContact O-N 3.46Å; N17-Q19 VanDerWaalsContact O-N 3.13Å; N17-Q19 PolarHBondContact OD1-N 3.47Å
20S49.7Very low51.7Low37 Ų3782.8 Ų82.826%0.25945%0.451SS..SBendtrans-113.4122.7173.762.10000107.6N17 T22N17-S20 WeakPolarHBondContact CB-OG 3.4Å; N17-S20 PolarHBondContact ND2-OG 2.73Å; N17-S20 VanDerWaalsContact ND2-OG 3.15Å; N17-S20 PolarHBondContact O-N 3.06Å; S20-T22 PolarHBondContact O-N 3.18Å
21H53.3Low52.5Low127 Ų12778.5 Ų78.559%0.58842%0.42SS*.  trans-66.825.1168.9-37-83.4000112.9L23 T48H21-L23 PolarHBondContact O-N 3.37Å; H21-T48 HydrophobicContact CB-CG2 3.5Å
22T48.4Very low53.2Low38 Ų3882 Ų8223%0.23344%0.435CS..  trans-88.289.9173.1-48.80000107.6S20 L24S20-T22 PolarHBondContact O-N 3.18Å; T22-L24 HydrophobicContact CG2-CD2 3.79Å; T22-L24 HydrophobicContact CG2-CG 4.32Å; T22-L24 PolarHBondContact O-N 3.13Å
23L56.5Low53.8Low41 Ų4176.3 Ų76.322%0.21541%0.409CS..BIsolated β-bridgetrans-81102.2169.5-176.867.7000108.5P13 V16 H21 I25 M47P13-L23 HydrophobicContact CB-CD1 3.67Å; V16-L23 HydrophobicContact CG2-CD1 3.88Å; H21-L23 PolarHBondContact O-N 3.37Å; L23-I25 VanDerWaalsContact C-N 3.29Å; L23-I25 HydrophobicContact CD2-CD1 3.64Å; L23-I25 HydrophobicContact CD2-CG1 3.7Å; L23-I25 HydrophobicContact CG-CD1 4.2Å; L23-I25 HydrophobicContact CG-CG1 3.67Å; L23-I25 PolarHBondContact O-N 3.26Å; L23-M47 HydrophobicContact CB-CE 3.8Å; L23-M47 HydrophobicContact CD2-CE 4.19Å; L23-M47 HydrophobicContact CD2-SD 4.47Å
24L55.4Low54.2Low52 Ų5280.2 Ų80.227%0.27243%0.426SS..  trans-73.487.4173.8-63.5-175.3000109.5T22 L44T22-L24 HydrophobicContact CG2-CD2 3.79Å; T22-L24 HydrophobicContact CG2-CG 4.32Å; T22-L24 PolarHBondContact O-N 3.13Å; L24-L44 HydrophobicContact CD2-CD1 3.41Å; L24-L44 VanDerWaalsContact CD2-CD1 3.41Å; L24-L44 HydrophobicContact CD2-CD2 4.18Å; L24-L44 HydrophobicContact CD2-CG 3.66Å
25I55.9Low54.9Low60 Ų6083.9 Ų83.931%0.30844%0.437SS..  trans-86.9128.1165.1-47-176.5000106.5L23 P27 L45L23-I25 VanDerWaalsContact C-N 3.29Å; L23-I25 HydrophobicContact CD2-CD1 3.64Å; L23-I25 HydrophobicContact CD2-CG1 3.7Å; L23-I25 HydrophobicContact CG-CD1 4.2Å; L23-I25 HydrophobicContact CG-CG1 3.67Å; L23-I25 PolarHBondContact O-N 3.26Å; I25-P27 WeakPolarHBondContact O-CD 3.5Å; I25-L45 HydrophobicContact CD1-CD2 4.08Å
26H61.5Low55.7Low71 Ų7182 Ų8233%0.32944%0.436SS..  trans-98.173.6168.1-66.9-77.2000109.6D14 T28D14-H26 IonicContact OD2-CD2 3.55Å; H26-T28 PolarHBondContact O-N 3.03Å
27P59.4Low56.1Low40 Ų4079.6 Ų79.626%0.2643%0.425SS..  trans-70108.1175.229.6-31.3000107.9I25 V29 F43I25-P27 WeakPolarHBondContact O-CD 3.5Å; P27-V29 PolarHBondContact O-N 3.46Å; P27-V29 VanDerWaalsContact O-N 3.17Å; P27-F43 HydrophobicContact CG-CB 3.99Å; P27-F43 HydrophobicContact CG-CD2 4.03Å; P27-F43 HydrophobicContact CG-CG 4.47Å
28T58.5Low56.8Low38 Ų3880 Ų8023%0.23343%0.433CS..  trans-75.1101.2166.1-51.80000107.9H26 F30 D40H26-T28 PolarHBondContact O-N 3.03Å; T28-F30 HydrophobicContact CG2-CD2 3.93Å; T28-F30 HydrophobicContact CG2-CE2 3.59Å; T28-F30 HydrophobicContact CG2-CZ 4.25Å; T28-D40 HydrophobicContact CG2-CB 4.09Å; T28-D40 WeakPolarHBondContact CG2-OD1 2.9Å
29V61Low57.4Low20 Ų2076.1 Ų76.112%0.12140%0.404CS..EExtended strand (participates in β ladder)trans-91.8105.6171.8-175.30000107.8L5 P27 M31 L41 F43L5-V29 HydrophobicContact CD2-CG1 4.19Å; P27-V29 PolarHBondContact O-N 3.46Å; P27-V29 VanDerWaalsContact O-N 3.17Å; V29-M31 HydrophobicContact CG1-CE 3.97Å; V29-M31 HydrophobicContact CG1-CG 3.97Å; V29-M31 PolarHBondContact O-N 3.04Å; V29-L41 PolarHBondContact N-O 3.41Å; V29-L41 VanDerWaalsContact N-O 3.17Å; V29-L41 PolarHBondContact O-N 3.15Å; V29-F43 HydrophobicContact CB-CE2 4.12Å; V29-F43 HydrophobicContact CG2-CD2 4.28Å; V29-F43 HydrophobicContact CG2-CE2 3.77Å
30F58.4Low57.7Low101 Ų10170.6 Ų70.644%0.44338%0.381SS..EExtended strand (participates in β ladder)trans-72.1113.1168.4-81.6-89.2000108.8T28 D40T28-F30 HydrophobicContact CG2-CD2 3.93Å; T28-F30 HydrophobicContact CG2-CE2 3.59Å; T28-F30 HydrophobicContact CG2-CZ 4.25Å; F30-D40 WeakPolarHBondContact CD1-OD1 3.46Å; F30-D40 WeakPolarHBondContact CE1-OD1 3.43Å; F30-D40 WeakPolarHBondContact CE2-OD1 3.24Å; F30-D40 WeakPolarHBondContact CG-OD1 3.24Å; F30-D40 WeakPolarHBondContact CZ-OD1 3.31Å
31M60.6Low58.3Low41 Ų4169.2 Ų69.220%0.20237%0.37CS..EExtended strand (participates in β ladder)trans-106.1121.5169.8-67.6-162.6168.200109.4L3 V29 A33 S38 F39 L41 F66L3-M31 HydrophobicContact CD1-CE 3.88Å; L3-M31 HydrophobicContact CD2-CE 4Å; L3-M31 HydrophobicContact CG-CE 4.3Å; V29-M31 HydrophobicContact CG1-CE 3.97Å; V29-M31 HydrophobicContact CG1-CG 3.97Å; V29-M31 PolarHBondContact O-N 3.04Å; M31-A33 PolarHBondContact O-N 3.19Å; M31-S38 VanDerWaalsContact O-CA 3.31Å; M31-S38 WeakPolarHBondContact O-CA 3.35Å; M31-F39 PolarHBondContact N-O 2.9Å; M31-F39 VanDerWaalsContact N-O 3.11Å; M31-F39 PolarHBondContact O-N 3.18Å; M31-L41 HydrophobicContact CB-CD1 4.44Å; M31-L41 HydrophobicContact CG-CD1 4.19Å; M31-L41 HydrophobicContact SD-CD1 4.19Å; M31-F66 HydrophobicContact CE-CE1 4.36Å; M31-F66 HydrophobicContact CE-CZ 4.24Å; M31-F66 HydrophobicContact SD-CE1 4Å; M31-F66 HydrophobicContact SD-CZ 3.96Å
32K53.2Low58.8Low177 Ų17766.3 Ų66.377%0.7736%0.357SS*.EExtended strand (participates in β ladder)trans-81.4111.2168.9-167.4174.2-176.8177.20108A37K32-A37 CarbonylContact C-O 3.58Å
33A57.6Low59.5Low30 Ų3066 Ų6625%0.24835%0.352CS..  trans-79.5169170.200000111M31 G36 A37 F39M31-A33 PolarHBondContact O-N 3.19Å; A33-G36 PolarHBondContact O-N 3.24Å; A33-A37 WeakPolarHBondContact CA-O 3.46Å; A33-A37 HydrophobicContact CB-CB 4.29Å; A33-A37 PolarHBondContact N-O 2.96Å; A33-F39 HydrophobicContact CB-CD2 3.98Å; A33-F39 HydrophobicContact CB-CE2 3.46Å; A33-F39 VanDerWaalsContact CB-CE2 3.46Å
34D56Low59.7Low144 Ų14466.8 Ų66.877%0.7736%0.356SS*.G310 helixtrans-59.4147.2173.5-163.718.3000110.3G36D34-G36 VanDerWaalsContact C-N 3.32Å; D34-G36 PolarHBondContact O-N 3.15Å
35K66.5Low60.1Low197 Ų19765.5 Ų65.586%0.85735%0.35SS*.G310 helixtrans68.420-174.5-47.8178.7-179.2-179.60116.1A37K35-A37 VanDerWaalsContact C-N 3.26Å; K35-A37 PolarHBondContact O-N 3.04Å
36G63.4Low60.1Low50 Ų5064 Ų6452%0.51534%0.342SS..G310 helixtrans79.93.9170.200000114.9A33 D34A33-G36 PolarHBondContact O-N 3.24Å; D34-G36 VanDerWaalsContact C-N 3.32Å; D34-G36 PolarHBondContact O-N 3.15Å
37A52.9Low60.1Low39 Ų3965.4 Ų65.432%0.32235%0.35SS..  trans-65.9136.8167.300000109.5K32 A33 K35 F39K32-A37 CarbonylContact C-O 3.58Å; A33-A37 WeakPolarHBondContact CA-O 3.46Å; A33-A37 HydrophobicContact CB-CB 4.29Å; A33-A37 PolarHBondContact N-O 2.96Å; K35-A37 VanDerWaalsContact C-N 3.26Å; K35-A37 PolarHBondContact O-N 3.04Å; A37-F39 HydrophobicContact CB-CE1 4.5Å; A37-F39 HydrophobicContact CB-CE2 3.92Å; A37-F39 HydrophobicContact CB-CZ 3.71Å
38S61.7Low59.9Low76 Ų7666.4 Ų66.453%0.53136%0.356SS..EExtended strand (participates in β ladder)trans-120.4137.4171.854.80000109M31M31-S38 VanDerWaalsContact O-CA 3.31Å; M31-S38 WeakPolarHBondContact O-CA 3.35Å
39F61.5Low59.8Low37 Ų3769.6 Ų69.616%0.16238%0.375CS..EExtended strand (participates in β ladder)trans-124.5140.1177-50-79.3000109.7M31 A33 A37 I62 I63M31-F39 PolarHBondContact N-O 2.9Å; M31-F39 VanDerWaalsContact N-O 3.11Å; M31-F39 PolarHBondContact O-N 3.18Å; A33-F39 HydrophobicContact CB-CD2 3.98Å; A33-F39 HydrophobicContact CB-CE2 3.46Å; A33-F39 VanDerWaalsContact CB-CE2 3.46Å; A37-F39 HydrophobicContact CB-CE1 4.5Å; A37-F39 HydrophobicContact CB-CE2 3.92Å; A37-F39 HydrophobicContact CB-CZ 3.71Å; F39-I62 HydrophobicContact CE2-CD1 4.3Å; F39-I62 HydrophobicContact CE2-CG2 4.27Å; F39-I62 HydrophobicContact CZ-CD1 3.89Å; F39-I63 HydrophobicContact CB-CD1 4.24Å; F39-I63 HydrophobicContact CD1-CD1 4.39Å; F39-I63 HydrophobicContact CG-CD1 4.4Å
40D60.4Low59.7Low67 Ų6770.5 Ų70.536%0.35839%0.388SS..EExtended strand (participates in β ladder)trans-89.3120.5171.5-72.9-28.7000109.1T28 F30T28-D40 HydrophobicContact CG2-CB 4.09Å; T28-D40 WeakPolarHBondContact CG2-OD1 2.9Å; F30-D40 WeakPolarHBondContact CD1-OD1 3.46Å; F30-D40 WeakPolarHBondContact CE1-OD1 3.43Å; F30-D40 WeakPolarHBondContact CE2-OD1 3.24Å; F30-D40 WeakPolarHBondContact CG-OD1 3.24Å; F30-D40 WeakPolarHBondContact CZ-OD1 3.31Å
41L62.5Low59.7Low8 Ų872.4 Ų72.44%0.04240%0.397CS..EExtended strand (participates in β ladder)trans-100.2121165.9-75.392.8000108.5V29 M31 F43V29-L41 PolarHBondContact N-O 3.41Å; V29-L41 VanDerWaalsContact N-O 3.17Å; V29-L41 PolarHBondContact O-N 3.15Å; M31-L41 HydrophobicContact CB-CD1 4.44Å; M31-L41 HydrophobicContact CG-CD1 4.19Å; M31-L41 HydrophobicContact SD-CD1 4.19Å; L41-F43 HydrophobicContact CB-CD2 4.36Å; L41-F43 HydrophobicContact CB-CE2 3.56Å; L41-F43 HydrophobicContact CB-CZ 3.69Å; L41-F43 HydrophobicContact CD2-CE1 4.22Å; L41-F43 HydrophobicContact CD2-CE2 4.44Å; L41-F43 HydrophobicContact CD2-CZ 3.7Å; L41-F43 HydrophobicContact CG-CZ 4.34Å
42H62.9Low59.4Low66 Ų6672.4 Ų72.431%0.30640%0.401SS..PPolyproline II helixtrans-97.4133.7165.8-55.3-83.2000108.5L56H42-L56 HydrophobicContact CB-CB 4.17Å; H42-L56 HydrophobicContact CB-CD1 4.32Å; H42-L56 PolarHBondContact O-N 3.11Å
43F64.1Low59.7Low31 Ų3169.4 Ų69.414%0.13639%0.388CS..  trans-116.4146.3175.7-58.1-85.5000109.1P27 V29 L41 F53P27-F43 HydrophobicContact CG-CB 3.99Å; P27-F43 HydrophobicContact CG-CD2 4.03Å; P27-F43 HydrophobicContact CG-CG 4.47Å; V29-F43 HydrophobicContact CB-CE2 4.12Å; V29-F43 HydrophobicContact CG2-CD2 4.28Å; V29-F43 HydrophobicContact CG2-CE2 3.77Å; L41-F43 HydrophobicContact CB-CD2 4.36Å; L41-F43 HydrophobicContact CB-CE2 3.56Å; L41-F43 HydrophobicContact CB-CZ 3.69Å; L41-F43 HydrophobicContact CD2-CE1 4.22Å; L41-F43 HydrophobicContact CD2-CE2 4.44Å; L41-F43 HydrophobicContact CD2-CZ 3.7Å; L41-F43 HydrophobicContact CG-CZ 4.34Å; F43-F53 HydrophobicContact CB-CD1 4.43Å; F43-F53 HydrophobicContact CD1-CB 3.84Å; F43-F53 AromaticContact CD1-CD1 3.57Å; F43-F53 HydrophobicContact CD1-CD1 3.57Å; F43-F53 HydrophobicContact CD1-CG 4.18Å; F43-F53 HydrophobicContact CE1-CB 4.16Å; F43-F53 AromaticContact CE1-CD1 3.99Å; F43-F53 HydrophobicContact CE1-CD1 3.99Å; F43-F53 HydrophobicContact CE1-CG 4.48Å; F43-F53 HydrophobicContact CG-CD1 4.11Å
44L61.1Low59.6Low57 Ų5772.1 Ų72.130%0.29840%0.397SS..  trans-103.3112.9167.9-161.491.8000107.6L24L24-L44 HydrophobicContact CD2-CD1 3.41Å; L24-L44 VanDerWaalsContact CD2-CD1 3.41Å; L24-L44 HydrophobicContact CD2-CD2 4.18Å; L24-L44 HydrophobicContact CD2-CG 3.66Å
45L62.9Low59.7Low26 Ų2667 Ų6714%0.13637%0.372CS..  trans-91.8114.2179.6-155.974.2000110.1I25 F51I25-L45 HydrophobicContact CD1-CD2 4.08Å; L45-F51 HydrophobicContact CD1-CB 4.14Å; L45-F51 HydrophobicContact CD1-CD1 3.42Å; L45-F51 VanDerWaalsContact CD1-CD1 3.42Å; L45-F51 HydrophobicContact CD1-CE1 4.23Å; L45-F51 HydrophobicContact CD1-CG 4.2Å; L45-F51 HydrophobicContact CD2-CD1 3.92Å; L45-F51 HydrophobicContact CD2-CE1 3.92Å; L45-F51 HydrophobicContact CG-CD1 3.73Å; L45-F51 HydrophobicContact CG-CE1 4.24Å
46N56.7Low59.2Low28 Ų2862.4 Ų62.415%0.1536%0.356CS..  trans-100.4116.3166.7-170.43000110T48 T49 G50N46-T48 PolarHBondContact ND2-OG1 3.17Å; N46-T48 PolarHBondContact OD1-N 2.83Å; N46-T48 PolarHBondContact OD1-OG1 3.35Å; N46-T49 PolarHBondContact ND2-OG1 3.22Å; N46-T49 VanDerWaalsContact ND2-OG1 3.14Å; N46-G50 CarbonylContact O-C 3.39Å; N46-G50 VanDerWaalsContact O-O 3.07Å
47M60.6Low58.7Low101 Ų10161.4 Ų61.450%0.49834%0.343SS..SBendtrans-79.7-21.2178.1-61-163-61.100112.7L23L23-M47 HydrophobicContact CB-CE 3.8Å; L23-M47 HydrophobicContact CD2-CE 4.19Å; L23-M47 HydrophobicContact CD2-SD 4.47Å
48T55.8Low58.6Low60 Ų6070.6 Ų70.637%0.36837%0.37SS..THydrogen-bonded Turntrans-68.2-43.7-177.352.50000113H21 N46H21-T48 HydrophobicContact CB-CG2 3.5Å; N46-T48 PolarHBondContact ND2-OG1 3.17Å; N46-T48 PolarHBondContact OD1-N 2.83Å; N46-T48 PolarHBondContact OD1-OG1 3.35Å
49T56.1Low57.8Low106 Ų10675.7 Ų75.765%0.6539%0.385SS*.THydrogen-bonded Turntrans-100.710.7-171.753.90000113.6N46N46-T49 PolarHBondContact ND2-OG1 3.22Å; N46-T49 VanDerWaalsContact ND2-OG1 3.14Å
50G58.3Low57.2Low38 Ų3878.1 Ų78.139%0.39240%0.399SS..SBendtrans80.6151.2-164.200000111.3N46 S52N46-G50 CarbonylContact O-C 3.39Å; N46-G50 VanDerWaalsContact O-O 3.07Å; G50-S52 PolarHBondContact O-N 3.19Å
51F59Low57Low142 Ų14278.9 Ų78.962%0.62341%0.41SS*.  trans-55.4100.9-173.8-55.6-68.5000111.4L45 F53L45-F51 HydrophobicContact CD1-CB 4.14Å; L45-F51 HydrophobicContact CD1-CD1 3.42Å; L45-F51 VanDerWaalsContact CD1-CD1 3.42Å; L45-F51 HydrophobicContact CD1-CE1 4.23Å; L45-F51 HydrophobicContact CD1-CG 4.2Å; L45-F51 HydrophobicContact CD2-CD1 3.92Å; L45-F51 HydrophobicContact CD2-CE1 3.92Å; L45-F51 HydrophobicContact CG-CD1 3.73Å; L45-F51 HydrophobicContact CG-CE1 4.24Å; F51-F53 HydrophobicContact CB-CE2 4.08Å; F51-F53 HydrophobicContact CB-CZ 4.3Å
52S53.9Low56.8Low41 Ų4182.9 Ų82.929%0.28743%0.431SS..  trans-88.2125.8166.752.70000108.2G50G50-S52 PolarHBondContact O-N 3.19Å
53F59.9Low56.5Low114 Ų11480.4 Ų80.450%0.542%0.419SS..  trans-98.797.7172-64.5-82.8000106.8F43 F51 P55 I83F43-F53 HydrophobicContact CB-CD1 4.43Å; F43-F53 HydrophobicContact CD1-CB 3.84Å; F43-F53 AromaticContact CD1-CD1 3.57Å; F43-F53 HydrophobicContact CD1-CD1 3.57Å; F43-F53 HydrophobicContact CD1-CG 4.18Å; F43-F53 HydrophobicContact CE1-CB 4.16Å; F43-F53 AromaticContact CE1-CD1 3.99Å; F43-F53 HydrophobicContact CE1-CD1 3.99Å; F43-F53 HydrophobicContact CE1-CG 4.48Å; F43-F53 HydrophobicContact CG-CD1 4.11Å; F51-F53 HydrophobicContact CB-CE2 4.08Å; F51-F53 HydrophobicContact CB-CZ 4.3Å; F53-P55 WeakPolarHBondContact O-CD 3.09Å; F53-I83 HydrophobicContact CZ-CD1 4.42Å
54I56.6Low56.2Low87 Ų8782.8 Ų82.845%0.44644%0.436SS..  trans-94.5102.7170.4-55.4176.5000106.9L56I54-L56 HydrophobicContact CG2-CD2 4.37Å; I54-L56 PolarHBondContact O-N 3.33Å
55P56.2Low56Low37 Ų3784.1 Ų84.124%0.2444%0.444CS..  trans-70.3111.6176.727.8-31.9000108.6F53 A57 I67F53-P55 WeakPolarHBondContact O-CD 3.09Å; P55-A57 PolarHBondContact O-N 3.15Å; P55-I67 HydrophobicContact CB-CD1 3.65Å; P55-I67 HydrophobicContact CB-CG1 4.12Å; P55-I67 HydrophobicContact CG-CD1 3.16Å; P55-I67 HydrophobicContact CG-CG1 3.67Å; P55-I67 HydrophobicContact CG-CG2 4.36Å
56L55.9Low56Low99 Ų9985.3 Ų85.352%0.51845%0.448SS..  trans-82.962.7169.1-55.3173.4000108.5H42 I54H42-L56 HydrophobicContact CB-CB 4.17Å; H42-L56 HydrophobicContact CB-CD1 4.32Å; H42-L56 PolarHBondContact O-N 3.11Å; I54-L56 HydrophobicContact CG2-CD2 4.37Å; I54-L56 PolarHBondContact O-N 3.33Å
57A54.6Low56.2Low30 Ų3086 Ų8625%0.24845%0.451CS..  trans-92.7128.8178.100000109.9P55 I63P55-A57 PolarHBondContact O-N 3.15Å; A57-I63 HydrophobicContact CB-CB 3.95Å; A57-I63 HydrophobicContact CB-CD1 3.58Å; A57-I63 HydrophobicContact CB-CG1 4.32Å; A57-I63 HydrophobicContact CB-CG2 3.27Å
58R50.4Low56.1Low232 Ų23289.6 Ų89.688%0.87546%0.459SS*.  trans-62.8146.5161.4-82.3-177.4165.4-178-3.8109.1D60R58-D60 PolarHBondContact O-N 3.06Å
59H44.8Very low56.6Low183 Ų18395.9 Ų95.985%0.84748%0.476SS*.SBendtrans-57.644.3-163.5-97-82.6000118.1S61H59-S61 PolarHBondContact O-N 3.34Å
60D48.7Very low56.9Low88 Ų8895.4 Ų95.447%0.47147%0.468SS..  trans-81.8121.7168.3-72.2-20.7000109.4R58 I62 I63R58-D60 PolarHBondContact O-N 3.06Å; D60-I62 PolarHBondContact O-N 2.99Å; D60-I63 HydrophobicContact CB-CD1 4.45Å; D60-I63 PolarHBondContact O-N 3.45Å
61S56.2Low57Low83 Ų8398.5 Ų98.558%0.5848%0.476SS*.Hα-helixtrans-50.1-26-177.5600000113.8H59 I63 N65H59-S61 PolarHBondContact O-N 3.34Å; S61-I63 VanDerWaalsContact C-N 3.35Å; S61-N65 WeakPolarHBondContact O-CB 2.89Å; S61-N65 PolarHBondContact O-N 2.78Å; S61-N65 PolarHBondContact O-ND2 2.82Å; S61-N65 VanDerWaalsContact O-ND2 3.12Å
62I57.8Low56.7Low92 Ų9297.5 Ų97.547%0.47247%0.473SS..Hα-helixtrans-61.6-43.8174.8-61.6172.3000110.7F39 D60 N65 F66F39-I62 HydrophobicContact CE2-CD1 4.3Å; F39-I62 HydrophobicContact CE2-CG2 4.27Å; F39-I62 HydrophobicContact CZ-CD1 3.89Å; D60-I62 PolarHBondContact O-N 2.99Å; I62-N65 PolarHBondContact O-N 2.95Å; I62-F66 WeakPolarHBondContact O-CB 3.47Å; I62-F66 PolarHBondContact O-N 3.42Å
63I57Low56.8Low14 Ų1498.1 Ų98.17%0.07248%0.48CS..Hα-helixtrans-71.5-42.8-176.4-56.7171.5000110.2F39 A57 D60 S61 N65 F66 I67F39-I63 HydrophobicContact CB-CD1 4.24Å; F39-I63 HydrophobicContact CD1-CD1 4.39Å; F39-I63 HydrophobicContact CG-CD1 4.4Å; A57-I63 HydrophobicContact CB-CB 3.95Å; A57-I63 HydrophobicContact CB-CD1 3.58Å; A57-I63 HydrophobicContact CB-CG1 4.32Å; A57-I63 HydrophobicContact CB-CG2 3.27Å; D60-I63 HydrophobicContact CB-CD1 4.45Å; D60-I63 PolarHBondContact O-N 3.45Å; S61-I63 VanDerWaalsContact C-N 3.35Å; I63-N65 VanDerWaalsContact C-N 3.33Å; I63-N65 PolarHBondContact O-N 2.86Å; I63-F66 WeakPolarHBondContact O-CB 3.31Å; I63-F66 PolarHBondContact O-N 2.9Å; I63-F66 VanDerWaalsContact O-N 3.1Å; I63-I67 HydrophobicContact CG2-CD1 3.71Å; I63-I67 HydrophobicContact CG2-CG1 4.21Å; I63-I67 WeakPolarHBondContact O-CD1 3.49Å; I63-I67 VanDerWaalsContact O-CG1 3.25Å; I63-I67 WeakPolarHBondContact O-CG1 3.16Å; I63-I67 PolarHBondContact O-N 3.17Å
64V57.2Low56.4Low81 Ų8195.9 Ų95.949%0.49148%0.478SS..Hα-helixtrans-58.7-46.1174.5178.30000110.9F66 I67 R68V64-F66 VanDerWaalsContact C-N 3.28Å; V64-F66 PolarHBondContact O-N 2.71Å; V64-I67 PolarHBondContact O-N 2.69Å; V64-R68 VanDerWaalsContact O-CB 3.3Å; V64-R68 WeakPolarHBondContact O-CB 3.31Å; V64-R68 PolarHBondContact O-N 3.23Å
65N58.3Low56.1Low85 Ų8598.2 Ų98.246%0.45549%0.492SS..Hα-helixtrans-63-35.9176.5-77.6-34000112.3S61 I62 I63 R69S61-N65 WeakPolarHBondContact O-CB 2.89Å; S61-N65 PolarHBondContact O-N 2.78Å; S61-N65 PolarHBondContact O-ND2 2.82Å; S61-N65 VanDerWaalsContact O-ND2 3.12Å; I62-N65 PolarHBondContact O-N 2.95Å; I63-N65 VanDerWaalsContact C-N 3.33Å; I63-N65 PolarHBondContact O-N 2.86Å; N65-R69 WeakPolarHBondContact O-CG 3.06Å; N65-R69 PolarHBondContact O-N 2.7Å
66F62.1Low55.5Low51 Ų51101.9 Ų101.922%0.22451%0.51CS..Hα-helixtrans-68.9-47.4177.2-177.3-106000112.2M1 M31 I62 I63 V64 R68 R69 I70M1-F66 HydrophobicContact CE-CE2 4.48Å; M31-F66 HydrophobicContact CE-CE1 4.36Å; M31-F66 HydrophobicContact CE-CZ 4.24Å; M31-F66 HydrophobicContact SD-CE1 4Å; M31-F66 HydrophobicContact SD-CZ 3.96Å; I62-F66 WeakPolarHBondContact O-CB 3.47Å; I62-F66 PolarHBondContact O-N 3.42Å; I63-F66 WeakPolarHBondContact O-CB 3.31Å; I63-F66 PolarHBondContact O-N 2.9Å; I63-F66 VanDerWaalsContact O-N 3.1Å; V64-F66 VanDerWaalsContact C-N 3.28Å; V64-F66 PolarHBondContact O-N 2.71Å; F66-R68 VanDerWaalsContact C-N 3.25Å; F66-R68 PolarHBondContact O-N 3.44Å; F66-R69 WeakPolarHBondContact O-CB 3.39Å; F66-R69 PolarHBondContact O-N 3.02Å; F66-I70 HydrophobicContact CD1-CD1 3.81Å; F66-I70 HydrophobicContact CE1-CD1 3.24Å; F66-I70 HydrophobicContact CE1-CG1 4.17Å; F66-I70 HydrophobicContact CE2-CD1 4.41Å; F66-I70 HydrophobicContact CZ-CD1 3.59Å; F66-I70 HydrophobicContact CZ-CG1 4.21Å; F66-I70 PolarHBondContact O-N 3.5Å
67I60.3Low54.8Low43 Ų43105.4 Ų105.422%0.22152%0.523CS..Hα-helixtrans-58-44.2174.4-63.1157.1000109.5P55 I63 V64 R69 I70 L71P55-I67 HydrophobicContact CB-CD1 3.65Å; P55-I67 HydrophobicContact CB-CG1 4.12Å; P55-I67 HydrophobicContact CG-CD1 3.16Å; P55-I67 HydrophobicContact CG-CG1 3.67Å; P55-I67 HydrophobicContact CG-CG2 4.36Å; I63-I67 HydrophobicContact CG2-CD1 3.71Å; I63-I67 HydrophobicContact CG2-CG1 4.21Å; I63-I67 WeakPolarHBondContact O-CD1 3.49Å; I63-I67 VanDerWaalsContact O-CG1 3.25Å; I63-I67 WeakPolarHBondContact O-CG1 3.16Å; I63-I67 PolarHBondContact O-N 3.17Å; V64-I67 PolarHBondContact O-N 2.69Å; I67-R69 VanDerWaalsContact C-N 3.32Å; I67-R69 PolarHBondContact O-N 3.13Å; I67-I70 PolarHBondContact O-N 3.06Å; I67-L71 HydrophobicContact CG2-CD1 3.83Å; I67-L71 HydrophobicContact CG2-CG 4.3Å; I67-L71 WeakPolarHBondContact O-CB 3.36Å; I67-L71 WeakPolarHBondContact O-CG 3.44Å; I67-L71 PolarHBondContact O-N 3.36Å
68R60Low54.3Low176 Ų176114.2 Ų114.266%0.66456%0.556SS**Hα-helixtrans-59.2-41.6175.3-170.4178.7-177.3-178.31.9111.7V64 F66 H72V64-R68 VanDerWaalsContact O-CB 3.3Å; V64-R68 WeakPolarHBondContact O-CB 3.31Å; V64-R68 PolarHBondContact O-N 3.23Å; F66-R68 VanDerWaalsContact C-N 3.25Å; F66-R68 PolarHBondContact O-N 3.44Å; R68-H72 WeakPolarHBondContact O-CB 3.44Å; R68-H72 PolarHBondContact O-N 2.69Å
69R65.3Low53.8Low192 Ų192108.1 Ų108.173%0.72554%0.54SS*.Hα-helixtrans-65.1-41.9175.9-77.4176.9-178.6-170.71.2112.3N65 F66 I67 H72 A73N65-R69 WeakPolarHBondContact O-CG 3.06Å; N65-R69 PolarHBondContact O-N 2.7Å; F66-R69 WeakPolarHBondContact O-CB 3.39Å; F66-R69 PolarHBondContact O-N 3.02Å; I67-R69 VanDerWaalsContact C-N 3.32Å; I67-R69 PolarHBondContact O-N 3.13Å; R69-H72 PolarHBondContact O-N 2.92Å; R69-A73 VanDerWaalsContact O-CB 3.31Å; R69-A73 WeakPolarHBondContact O-CB 3.46Å; R69-A73 PolarHBondContact O-N 3.41Å
70I62.4Low53.3Low95 Ų95109.1 Ų109.149%0.48754%0.542SS..Hα-helixtrans-62.8-49.4176.1-68.5176.7000110.3F66 I67 H72 A73 S74F66-I70 HydrophobicContact CD1-CD1 3.81Å; F66-I70 HydrophobicContact CE1-CD1 3.24Å; F66-I70 HydrophobicContact CE1-CG1 4.17Å; F66-I70 HydrophobicContact CE2-CD1 4.41Å; F66-I70 HydrophobicContact CZ-CD1 3.59Å; F66-I70 HydrophobicContact CZ-CG1 4.21Å; F66-I70 PolarHBondContact O-N 3.5Å; I67-I70 PolarHBondContact O-N 3.06Å; I70-H72 VanDerWaalsContact C-N 3.35Å; I70-H72 PolarHBondContact O-N 2.74Å; I70-A73 PolarHBondContact O-N 3.37Å; I70-S74 PolarHBondContact O-N 3.24Å
71L59.9Low52.8Low104 Ų104108.9 Ų108.955%0.54555%0.547SS..Hα-helixtrans-63.3-41.2178.9-71.1173.5000111.8I67 S74 N75I67-L71 HydrophobicContact CG2-CD1 3.83Å; I67-L71 HydrophobicContact CG2-CG 4.3Å; I67-L71 WeakPolarHBondContact O-CB 3.36Å; I67-L71 WeakPolarHBondContact O-CG 3.44Å; I67-L71 PolarHBondContact O-N 3.36Å; L71-S74 VanDerWaalsContact O-CB 3.31Å; L71-S74 WeakPolarHBondContact O-CB 3.42Å; L71-S74 PolarHBondContact O-N 3.34Å; L71-S74 VanDerWaalsContact O-N 3.1Å; L71-N75 PolarHBondContact O-N 3.44Å; L71-N75 VanDerWaalsContact O-N 3.13Å
72H53.1Low51.9Low121 Ų121115.3 Ų115.356%0.5656%0.559SS**Hα-helixtrans-67.6-37177.9-167.1-71.5000112.1R68 R69 I70 S74 N75R68-H72 WeakPolarHBondContact O-CB 3.44Å; R68-H72 PolarHBondContact O-N 2.69Å; R69-H72 PolarHBondContact O-N 2.92Å; I70-H72 VanDerWaalsContact C-N 3.35Å; I70-H72 PolarHBondContact O-N 2.74Å; H72-S74 PolarHBondContact O-N 3.02Å; H72-N75 PolarHBondContact O-N 2.73Å
73A55.7Low51Low54 Ų54116 Ų11645%0.44656%0.562SS.*Hα-helixtrans-63.7-32171.700000111.5R69 I70 L79R69-A73 VanDerWaalsContact O-CB 3.31Å; R69-A73 WeakPolarHBondContact O-CB 3.46Å; R69-A73 PolarHBondContact O-N 3.41Å; I70-A73 PolarHBondContact O-N 3.37Å; A73-L79 WeakPolarHBondContact O-CD1 3.25Å
74S51.2Low49.8Very low66 Ų66123.6 Ų123.646%0.46260%0.598SS.*Hα-helixtrans-71.5-28.8176.4-167.80000113.9I70 L71 H72I70-S74 PolarHBondContact O-N 3.24Å; L71-S74 VanDerWaalsContact O-CB 3.31Å; L71-S74 WeakPolarHBondContact O-CB 3.42Å; L71-S74 PolarHBondContact O-N 3.34Å; L71-S74 VanDerWaalsContact O-N 3.1Å; H72-S74 PolarHBondContact O-N 3.02Å
75N50.2Low48.6Very low137 Ų137125.1 Ų125.173%0.73361%0.607SS**Hα-helixtrans-80.9-21.7-177.1-75.7-7.7000113.6L71 H72 E77L71-N75 PolarHBondContact O-N 3.44Å; L71-N75 VanDerWaalsContact O-N 3.13Å; H72-N75 PolarHBondContact O-N 2.73Å; N75-E77 PolarHBondContact O-N 3.46Å
76N44.1Very low47.2Very low114 Ų114124.3 Ų124.361%0.6162%0.619SS**SBendtrans-84.297.3171.8-99.4-11.4000109.2
77E41.4Very low46.1Very low172 Ų172127 Ų12780%0.80464%0.643SS**SBendtrans54.8103161.2-63.5-166.4147.300117.4N75 L79N75-E77 PolarHBondContact O-N 3.46Å; E77-L79 PolarHBondContact O-N 3.15Å
78K44.6Very low45.1Very low216 Ų216134 Ų13494%0.93967%0.667SS**  trans48.231.3145.1-92.2-179179.3173.50115.7K80K78-K80 PolarHBondContact O-N 2.98Å
79L39.5Very low44.2Very low104 Ų104136.9 Ų136.955%0.54568%0.678SS.*  trans-69.189.8163-75.8169000105.8A73 E77 S81A73-L79 WeakPolarHBondContact O-CD1 3.25Å; E77-L79 PolarHBondContact O-N 3.15Å; L79-S81 PolarHBondContact O-N 2.9Å; L79-S81 PolarHBondContact O-OG 3.31Å
80K35.2Very low43.3Very low204 Ų204133.6 Ų133.689%0.88768%0.675SS**  trans-48.776.9134.8-106.9178.5175.2174.30104.7K78 R82K78-K80 PolarHBondContact O-N 2.98Å; K80-R82 PolarHBondContact O-N 3.17Å
81S37.9Very low42.4Very low82 Ų82132 Ų13257%0.57368%0.681SS**  trans-73.365.5176.1460000105.7L79 I83L79-S81 PolarHBondContact O-N 2.9Å; L79-S81 PolarHBondContact O-OG 3.31Å; S81-I83 PolarHBondContact O-N 3.17Å
82R37Very low41.8Very low219 Ų219136.6 Ų136.683%0.82670%0.697SS**  trans-64.688.9156.1-176.9176.2172.4-175.6-2.5103.3K80 Q84K80-R82 PolarHBondContact O-N 3.17Å; R82-Q84 PolarHBondContact O-N 3.14Å
83I38.8Very low41.7Very low105 Ų105142 Ų14254%0.53871%0.713SS.*  trans-51.9101.6168-63.5171.3000104.2F53 S81 V85F53-I83 HydrophobicContact CZ-CD1 4.42Å; S81-I83 PolarHBondContact O-N 3.17Å; I83-V85 HydrophobicContact CG2-CG2 4.31Å; I83-V85 PolarHBondContact O-N 2.64Å
84Q31.8Very low41.4Very low175 Ų175149.2 Ų149.282%0.81873%0.734SS**  trans-75.492.6178.9-165.5174.528.100105.1R82 G86R82-Q84 PolarHBondContact O-N 3.14Å; Q84-G86 VanDerWaalsContact C-N 3.32Å; Q84-G86 PolarHBondContact O-N 2.95Å
85V32.7Very low41.5Very low113 Ų113153.4 Ų153.469%0.68575%0.746SS**  trans-61.498.5174.5-176.80000106.6I83 S87I83-V85 HydrophobicContact CG2-CG2 4.31Å; I83-V85 PolarHBondContact O-N 2.64Å; V85-S87 PolarHBondContact O-N 2.86Å
86G27.8Very low41.2Very low68 Ų68155.9 Ų155.970%0.70175%0.753SS**  trans-66.997.8176.300000109.1Q84 R88Q84-G86 VanDerWaalsContact C-N 3.32Å; Q84-G86 PolarHBondContact O-N 2.95Å; G86-R88 PolarHBondContact O-N 3.3Å
87S38.2Very low41.3Very low106 Ų106160.8 Ų160.874%0.74176%0.763SS**  trans-64.8106.1165.7174.50000108V85 R89V85-S87 PolarHBondContact O-N 2.86Å; S87-R89 PolarHBondContact O-N 3.42Å
88R39.7Very low41.6Very low192 Ų192159.2 Ų159.273%0.72577%0.765SS**  trans-69.699.2175.1-149.8-179.5-167.7-171.13.9107G86 D90G86-R88 PolarHBondContact O-N 3.3Å; R88-D90 PolarHBondContact O-N 3.25Å; R88-D90 VanDerWaalsContact O-N 3.15Å
89R41.3Very low41.5Very low236 Ų236152.8 Ų152.889%0.89176%0.761SS**  trans-55.2119.5169-76.6-173.7176.3-173.6-1.3107.5S87 G91S87-R89 PolarHBondContact O-N 3.42Å; R89-G91 PolarHBondContact O-N 3.18Å
90D46.2Very low42Very low123 Ų123151.7 Ų151.766%0.65878%0.775SS**  trans-57.9100.6179.9-110.6-42.5000109.2R7 R88 K92R7-D90 IonicContact CZ-OD2 3.55Å; R7-D90 IonicContact NH1-OD2 2.9Å; R7-D90 IonicContact NH2-OD1 2.71Å; R7-D90 IonicContact NH2-OD2 3.86Å; R7-D90 PolarHBondContact NH2-OD2 3.04Å; R88-D90 PolarHBondContact O-N 3.25Å; R88-D90 VanDerWaalsContact O-N 3.15Å; D90-K92 PolarHBondContact O-N 3.11Å
91G43.8Very low42.5Very low60 Ų60150.6 Ų150.662%0.61977%0.772SS**  trans-67.7111.1168.900000107.7R89 R93R89-G91 PolarHBondContact O-N 3.18Å; G91-R93 PolarHBondContact O-N 3.04Å
92K47.8Very low43.1Very low202 Ų202156 Ų15688%0.87879%0.789SS**  trans-42.9109.7177.2-69-161.3175.6-171.50110.4D90 K94D90-K92 PolarHBondContact O-N 3.11Å; K92-K94 PolarHBondContact O-N 3.44Å; K92-K94 VanDerWaalsContact O-N 3.15Å
93R50.1Low43.4Very low235 Ų235151.2 Ų151.289%0.88778%0.784SS**  trans-63.3113.5170.9-69.4179.2174.1177.2-2.9107.4G91 Q95G91-R93 PolarHBondContact O-N 3.04Å; R93-Q95 PolarHBondContact O-N 3.29Å
94K50.5Low43.9Very low205 Ų205150.8 Ų150.889%0.89179%0.79SS**  trans-68.7100.2166.6-72.9-164.6176.6-173.70107.4K92 Q96K92-K94 PolarHBondContact O-N 3.44Å; K92-K94 VanDerWaalsContact O-N 3.15Å; K94-Q96 PolarHBondContact O-N 3.12Å
95Q51.8Low44.7Very low154 Ų154150.8 Ų150.872%0.7279%0.789SS**  trans-67.3109.2170.9-166.1175.220.500107.7R93 R97R93-Q95 PolarHBondContact O-N 3.29Å; Q95-R97 PolarHBondContact O-N 2.73Å
96Q44Very low45.2Very low188 Ų188156 Ų15688%0.87980%0.799SS**  trans-66.6109.4164.8-80.8177.2-42.900107.2K94K94-Q96 PolarHBondContact O-N 3.12Å
97R47.8Very low47Very low218 Ų218158.7 Ų158.782%0.82380%0.803SS**  trans-92116.8166.6-73.8-165.5177-163.5-0.2107.7Q95Q95-R97 PolarHBondContact O-N 2.73Å
98T47.1Very low47.6Very low138 Ų138161.5 Ų161.585%0.84781%0.805SS**  trans-111.7115.6168.1-48.90000107.3
99G42.2Very low48.1Very low82 Ų82160 Ų16085%0.84581%0.811SS**  trans50.2104.6153.200000119
100G49.7Very low48.3Very low81 Ų81151.8 Ų151.884%0.83580%0.8SS**  trans-177.391.9163.900000110
101Q46.2Very low48.8Very low180 Ų180153.9 Ų153.984%0.84181%0.811SS**  trans-84.1106.8179.4177.8177.5-2.800108.8
102E50.7Low49.2Very low197 Ų197162.8 Ų162.892%0.92183%0.826SS**  trans-128120.4160-75.2-174.5173.400108.4
103V44.2Very low49.7Very low118 Ų118161.6 Ų161.672%0.71583%0.828SS**  trans-92.2152.6179.9169.30000107.9
104S49.5Very low49.9Very low96 Ų96158.6 Ų158.667%0.67182%0.824SS**  trans96.9139.9164.292.60000114.6
105H47.6Very low49.8Very low174 Ų174158.2 Ų158.281%0.80683%0.826SS**  cis-145.6146.6-1.7-101.7-70.9000107.3P107H105-P107 WeakPolarHBondContact O-CD 3.4Å
106Y43.3Very low50Low224 Ų224157.2 Ų157.288%0.87883%0.83SS**  trans-64.8138.5166.6-88.2-100.3000110.8
107P65.4Low50.4Low123 Ų123157 Ų15780%0.79983%0.829SS**  -120.8118.4129.132.1-25.8000111.1H105H105-P107 WeakPolarHBondContact O-CD 3.4Å
108E52Low50.4Low166 Ų166158.2 Ų158.278%0.77683%0.834SS**  trans-67.8139.1159.2-176.5171.8-161.900109.2
109N49.2Very low50.3Low160 Ų160154 Ų15486%0.85682%0.817SS**  trans143.999.8166.1-76.9-15.3000105.6
110G45.6Very low51Low63 Ų63156 Ų15665%0.64982%0.815SS**  91.197.85700000106.5
111D55.8Low51.3Low167 Ų167160.4 Ų160.489%0.89381%0.814SS**  trans-171.3121.5141.2-89.4-25.9000110.8L113D111-L113 PolarHBondContact O-N 3.39Å
112R53.7Low51.7Low247 Ų247160 Ų16093%0.93281%0.813SS**  trans-49.2113.4170.7-77156.8110.6174.8-0.7109.6
113L58.1Low51.8Low177 Ų177156.1 Ų156.193%0.92780%0.798SS**  trans-94.1119.4159.4-102.6159.6000108.3D111D111-L113 PolarHBondContact O-N 3.39Å
114E52.8Low52.3Low172 Ų172155.2 Ų155.280%0.80479%0.793SS**  trans-55141.8-172.5-64.9179.6142.400112.8T116E114-T116 PolarHBondContact O-N 2.92Å
115E48.9Very low52.6Low198 Ų198156 Ų15693%0.92579%0.785SS**  trans-58.9102.7169.2-64.7179159.600108.5E117E115-E117 PolarHBondContact O-N 3.21Å
116T55.4Low52.8Low132 Ų132152.6 Ų152.681%0.8177%0.77SS**  trans-66.4104.9171.1-56.50000108.1E114 R118E114-T116 PolarHBondContact O-N 2.92Å; T116-R118 PolarHBondContact O-N 3.49Å; T116-R118 VanDerWaalsContact O-N 3.1Å
117E53.8Low53.2Low183 Ų183145.7 Ų145.786%0.85575%0.751SS**  trans-41.9108.6168.4-166175.2-172.900110.3E115 G119E115-E117 PolarHBondContact O-N 3.21Å; E117-G119 PolarHBondContact O-N 2.89Å
118R47.9Very low52.2Low245 Ų245145.6 Ų145.693%0.92574%0.742SS**  trans-69.794.9171.3-88.1-172.5-179.7-167.7-0.3108.4T116T116-R118 PolarHBondContact O-N 3.49Å; T116-R118 VanDerWaalsContact O-N 3.1Å
119G44.6Very low52.3Low48 Ų48145.2 Ų145.250%0.49573%0.733SS.*  trans-62.7161.916600000112.3E117 E121E117-G119 PolarHBondContact O-N 2.89Å; G119-E121 VanDerWaalsContact C-N 3.34Å; G119-E121 PolarHBondContact O-N 3.05Å
120P57.7Low52.4Low125 Ų125143.3 Ų143.381%0.81272%0.717SS**  trans-75.780.4-170.431.8-34.9000111.3E122P120-E122 VanDerWaalsContact C-N 3.34Å
121E54.8Low52.5Low173 Ų173144.3 Ų144.381%0.80871%0.711SS**  trans-84.7-9.6177-146.5172.8-170.900112.5G119G119-E121 VanDerWaalsContact C-N 3.34Å; G119-E121 PolarHBondContact O-N 3.05Å
122E54.3Low52.1Low173 Ų173141.3 Ų141.381%0.80869%0.694SS**Hα-helixtrans-78-21.2-177.3-68.9-173.616900114.1P120P120-E122 VanDerWaalsContact C-N 3.34Å
123D54.2Low51.7Low115 Ų115138.7 Ų138.762%0.61568%0.684SS**Hα-helixtrans-79.9-24.1-174.4-147.620.6000113T127D123-T127 PolarHBondContact O-N 3.37Å; D123-T127 PolarHBondContact O-OG1 3.47Å
124V54.3Low51Low99 Ų99137.3 Ų137.360%0.667%0.673SS**Hα-helixtrans-72.7-37.8177.6-173.40000110.8T127 M128V124-T127 PolarHBondContact O-N 2.81Å; V124-M128 PolarHBondContact O-N 3.22Å
125E54.9Low50.5Low111 Ų111134.7 Ų134.752%0.51966%0.664SS.*Hα-helixtrans-68.7-38.5-179.1-154.1-165.3149.900111.5R129E125-R129 WeakPolarHBondContact O-CG 3.3Å; E125-R129 PolarHBondContact O-N 3.1Å; E125-R129 VanDerWaalsContact O-N 3.13Å; E125-R129 IonicContact OE1-CZ 3.78Å; E125-R129 IonicContact OE1-NE 3.96Å; E125-R129 PolarHBondContact OE1-NE 3.13Å; E125-R129 IonicContact OE1-NH2 3.61Å; E125-R129 PolarHBondContact OE1-NH2 2.87Å
126E53Low50.3Low103 Ų103131.6 Ų131.648%0.48165%0.653SS.*Hα-helixtrans-68.7-40.7177.5-164.4-178.1147.900111.8M128 R129 K130E126-M128 PolarHBondContact O-N 2.99Å; E126-R129 PolarHBondContact O-N 3.31Å; E126-K130 PolarHBondContact O-N 3.48Å; E126-K130 WeakPolarHBondContact OE1-CE 3.34Å; E126-K130 IonicContact OE1-NZ 3.88Å; E126-K130 PolarHBondContact OE1-NZ 3.03Å
127T50.3Low50Low79 Ų79132.9 Ų132.949%0.48565%0.654SS.*Hα-helixtrans-62.7-43.3177.9-55.20000111.2D123 V124 R129 K130 T131D123-T127 PolarHBondContact O-N 3.37Å; D123-T127 PolarHBondContact O-OG1 3.47Å; V124-T127 PolarHBondContact O-N 2.81Å; T127-R129 VanDerWaalsContact C-N 3.34Å; T127-R129 PolarHBondContact O-N 3.39Å; T127-K130 PolarHBondContact O-N 3.32Å; T127-T131 PolarHBondContact O-N 3.31Å; T127-T131 PolarHBondContact O-OG1 3.41Å; T127-T131 VanDerWaalsContact O-OG1 3.11Å
128M45.3Very low49.3Very low122 Ų122130.3 Ų130.360%0.60165%0.65SS**Hα-helixtrans-60-41.9174.2-107.6179.858.400112.4V124 E126 K130 L132V124-M128 PolarHBondContact O-N 3.22Å; E126-M128 PolarHBondContact O-N 2.99Å; M128-K130 VanDerWaalsContact C-N 3.34Å; M128-K130 PolarHBondContact O-N 2.81Å; M128-L132 WeakPolarHBondContact O-CG 3.12Å; M128-L132 PolarHBondContact O-N 2.92Å; M128-L132 VanDerWaalsContact O-N 3.17Å
129R52.8Low48.9Very low157 Ų157121.7 Ų121.759%0.59264%0.637SS**Hα-helixtrans-66.5-32.7178.8-75.9-177.8-176.6-165.86.7112.9E125 E126 T127E125-R129 WeakPolarHBondContact O-CG 3.3Å; E125-R129 PolarHBondContact O-N 3.1Å; E125-R129 VanDerWaalsContact O-N 3.13Å; E125-R129 IonicContact OE1-CZ 3.78Å; E125-R129 IonicContact OE1-NE 3.96Å; E125-R129 PolarHBondContact OE1-NE 3.13Å; E125-R129 IonicContact OE1-NH2 3.61Å; E125-R129 PolarHBondContact OE1-NH2 2.87Å; E126-R129 PolarHBondContact O-N 3.31Å; T127-R129 VanDerWaalsContact C-N 3.34Å; T127-R129 PolarHBondContact O-N 3.39Å
130K51.4Low48.7Very low121 Ų121125.9 Ų125.953%0.52665%0.654SS.*Hα-helixtrans-73.6-45.9175.8-85.1170.4172.4155.80111.7E126 T127 M128 L132 R133 H134E126-K130 PolarHBondContact O-N 3.48Å; E126-K130 WeakPolarHBondContact OE1-CE 3.34Å; E126-K130 IonicContact OE1-NZ 3.88Å; E126-K130 PolarHBondContact OE1-NZ 3.03Å; T127-K130 PolarHBondContact O-N 3.32Å; M128-K130 VanDerWaalsContact C-N 3.34Å; M128-K130 PolarHBondContact O-N 2.81Å; K130-L132 VanDerWaalsContact C-N 3.32Å; K130-L132 PolarHBondContact O-N 2.93Å; K130-R133 PolarHBondContact O-N 2.91Å; K130-R133 VanDerWaalsContact O-N 3.15Å; K130-H134 PolarHBondContact O-CD2 3.43Å
131T47.9Very low47.9Very low83 Ų83123.9 Ų123.951%0.50966%0.656SS.*Hα-helixtrans-60.9-39.9179.9-55.30000112.3T127 R133 H134 L135T127-T131 PolarHBondContact O-N 3.31Å; T127-T131 PolarHBondContact O-OG1 3.41Å; T127-T131 VanDerWaalsContact O-OG1 3.11Å; T131-R133 VanDerWaalsContact C-N 3.29Å; T131-R133 PolarHBondContact O-N 2.84Å; T131-H134 PolarHBondContact O-N 3.41Å; T131-L135 PolarHBondContact O-N 3.1Å
132L48.8Very low47.5Very low104 Ų104124.5 Ų124.555%0.54566%0.659SS.*Hα-helixtrans-64.1-30.3178-80165.5000113.7M128 K130 H134M128-L132 WeakPolarHBondContact O-CG 3.12Å; M128-L132 PolarHBondContact O-N 2.92Å; M128-L132 VanDerWaalsContact O-N 3.17Å; K130-L132 VanDerWaalsContact C-N 3.32Å; K130-L132 PolarHBondContact O-N 2.93Å; L132-H134 VanDerWaalsContact C-N 3.33Å
133R44.6Very low47.1Very low192 Ų192125.4 Ų125.473%0.72566%0.663SS**Hα-helixtrans-71.3-29.9177.1-71.6-179.6-170.5-111.14.7112.5K130 T131K130-R133 PolarHBondContact O-N 2.91Å; K130-R133 VanDerWaalsContact O-N 3.15Å; T131-R133 VanDerWaalsContact C-N 3.29Å; T131-R133 PolarHBondContact O-N 2.84Å
134H42.7Very low46.7Very low149 Ų149128 Ų12869%0.6968%0.675SS**Hα-helixtrans-80.3-33.6178.7-70.6-63.6000112.5K130 T131 L132 L136 L137K130-H134 PolarHBondContact O-CD2 3.43Å; T131-H134 PolarHBondContact O-N 3.41Å; L132-H134 VanDerWaalsContact C-N 3.33Å; H134-L136 VanDerWaalsContact C-N 3.34Å; H134-L136 PolarHBondContact O-N 2.89Å; H134-L137 PolarHBondContact O-N 3.39Å
135L43.3Very low46.3Very low117 Ų117126.2 Ų126.261%0.61368%0.677SS**Hα-helixtrans-68.4-32.3179.3-134.395000112.9T131 L137 V138T131-L135 PolarHBondContact O-N 3.1Å; L135-L137 PolarHBondContact O-N 3.05Å; L135-V138 PolarHBondContact O-N 2.72Å
136L44.1Very low45.9Very low133 Ų133132.7 Ų132.770%0.69670%0.697SS**THydrogen-bonded Turntrans-69.7-13-179.5-83.3165.8000114.5H134H134-L136 VanDerWaalsContact C-N 3.34Å; H134-L136 PolarHBondContact O-N 2.89Å
137L49.2Very low45.9Very low158 Ų158134.3 Ų134.383%0.82771%0.713SS**THydrogen-bonded Turntrans-89.2-12.2177.7-111.699.7000114.2H134 L135H134-L137 PolarHBondContact O-N 3.39Å; L135-L137 PolarHBondContact O-N 3.05Å
138V38.2Very low45.9Very low130 Ų130135.5 Ų135.579%0.78872%0.724SS**  trans-11990.7-176.5176.70000108.8L135L135-V138 PolarHBondContact O-N 2.72Å
139G40.3Very low46.4Very low63 Ų63137.9 Ų137.965%0.64974%0.736SS**  trans-177.349-178.900000114.8
140T41.4Very low46.6Very low137 Ų137141.6 Ų141.684%0.8475%0.75SS**  trans22.1120.7143.641.90000119.4E142T140-E142 PolarHBondContact O-N 3.04Å
141G39.9Very low47.1Very low83 Ų83142.3 Ų142.386%0.85677%0.765SS**  trans-61.8117.1176.600000114.1
142E45.9Very low47.8Very low185 Ų185145 Ų14586%0.86478%0.781SS**  trans-79.4113.8155.9-91.5-178.8143.100109T140 I144T140-E142 PolarHBondContact O-N 3.04Å; E142-I144 PolarHBondContact O-N 2.93Å; E142-I144 VanDerWaalsContact O-N 3.12Å
143Q46.6Very low48.2Very low192 Ų192144.5 Ų144.590%0.89779%0.792SS**  trans-60.1111.6169.2-68.6178.218.800108.7G145Q143-G145 PolarHBondContact O-N 3.23Å
144I46.3Very low48.8Very low170 Ų170144.3 Ų144.387%0.87280%0.799SS**  trans-60.1104.8170.9-65.8171000107.5E142 R146E142-I144 PolarHBondContact O-N 2.93Å; E142-I144 VanDerWaalsContact O-N 3.12Å; I144-R146 PolarHBondContact O-N 3.46Å
145G46.1Very low49.9Very low62 Ų62147.9 Ų147.964%0.63981%0.806SS**  trans-54.6120.1179.700000111.1Q143 V147Q143-G145 PolarHBondContact O-N 3.23Å; G145-V147 PolarHBondContact O-N 3.12Å
146R46Very low50.8Low247 Ų247147.7 Ų147.793%0.93281%0.812SS**  trans-55.1104.4173.5-153.9178.9-171.4-164.72.8109.1I144 S148I144-R146 PolarHBondContact O-N 3.46Å; R146-S148 PolarHBondContact O-N 3.44Å
147V51.9Low51.8Low136 Ų136152.6 Ų152.682%0.82482%0.823SS**  trans-62.3107.61731700000108.4G145 M149G145-V147 PolarHBondContact O-N 3.12Å; V147-M149 PolarHBondContact O-N 3.04Å
148S51.6Low52.4Low104 Ų104153.1 Ų153.173%0.72782%0.821SS**  trans-79.8111.3177.8-169.80000109.4R146 R150R146-S148 PolarHBondContact O-N 3.44Å; S148-R150 PolarHBondContact O-N 3.39Å
149M55.6Low53.9Low173 Ų173154.2 Ų154.285%0.85282%0.817SS**  trans-67.9107.3173.4-69-174.876.800109.4V147 T151V147-M149 PolarHBondContact O-N 3.04Å; M149-T151 PolarHBondContact O-N 3.18Å
150R56.3Low55.1Low234 Ų234159 Ų15988%0.88383%0.825SS**  trans-80.4105.6166.1-71.9-176.6176.1-179.8-1108.5S148 V152S148-R150 PolarHBondContact O-N 3.39Å; R150-V152 PolarHBondContact O-N 3.37Å
151T62.3Low56.2Low136 Ų136157.6 Ų157.683%0.83481%0.812SS**  trans-66.6116.7166.129.40000109.1M149 A153M149-T151 PolarHBondContact O-N 3.18Å; T151-A153 PolarHBondContact O-N 3.37Å
152V62.5Low57.6Low141 Ų141164.2 Ų164.286%0.85581%0.811SS**  trans-76.2113.1173.9175.50000107.5R150 E154R150-V152 PolarHBondContact O-N 3.37Å; V152-E154 PolarHBondContact O-N 3.27Å
153A56.7Low58.4Low92 Ų92165.7 Ų165.776%0.7681%0.809SS**  trans-66.4115.4172.800000109.8T151 R155T151-A153 PolarHBondContact O-N 3.37Å; A153-R155 PolarHBondContact O-N 3.48Å
154E58.9Low58.9Low188 Ų188165 Ų16588%0.87980%0.798SS**PPolyproline II helixtrans-64.5122.5177.3-160.6170.3-164.200109.8V152V152-E154 PolarHBondContact O-N 3.27Å
155R65.7Low59.7Low224 Ų224164.3 Ų164.385%0.84580%0.796SS**PPolyproline II helixtrans-83135.8177.4-73.5-175.8175.7-177.6-1.5109.8A153 Y157A153-R155 PolarHBondContact O-N 3.48Å; R155-Y157 PolarHBondContact O-N 3.46Å
156P62.1Low60.3Low114 Ų114167.9 Ų167.974%0.7480%0.796SS**PPolyproline II helixtrans-69.7128.8-179.624.9-30.3000112H158P156-H158 PolarHBondContact O-N 3.46Å
157Y64.6Low61.1Low236 Ų236161.8 Ų161.893%0.92579%0.792SS**PPolyproline II helixtrans-65.5120.6173.7-91.7-101.7000110.7R155 H159R155-Y157 PolarHBondContact O-N 3.46Å; Y157-H159 PolarHBondContact O-N 3.46Å
158H61.9Low61.2Low169 Ų169162.3 Ų162.378%0.78279%0.789SS**  trans-83.4108.7168.4-86.5-77.6000110.1P156P156-H158 PolarHBondContact O-N 3.46Å
159H68.6Low61.4Low153 Ų153168.7 Ų168.771%0.70882%0.815SS**  trans-75.5114.4170.8-169.7-5.2000109Y157 D161Y157-H159 PolarHBondContact O-N 3.46Å; H159-D161 IonicContact CE1-OD1 3.82Å; H159-D161 PolarHBondContact CE1-OD1 2.9Å; H159-D161 IonicContact CE1-OD2 3.37Å; H159-D161 IonicContact ND1-OD1 2.83Å; H159-D161 IonicContact NE2-OD1 2.73Å; H159-D161 IonicContact NE2-OD2 3.4Å
160M65.3Low61.7Low162 Ų162168.5 Ų168.580%0.79881%0.813SS**  trans-102.999.6171.8-72.5-72.4-177.400108.5R162M160-R162 PolarHBondContact O-N 3.23Å
161D65.7Low62Low108 Ų108165 Ų16558%0.57881%0.809SS**  trans-73.9100.8170.7-78.6-43.2000109.9H159H159-D161 IonicContact CE1-OD1 3.82Å; H159-D161 PolarHBondContact CE1-OD1 2.9Å; H159-D161 IonicContact CE1-OD2 3.37Å; H159-D161 IonicContact ND1-OD1 2.83Å; H159-D161 IonicContact NE2-OD1 2.73Å; H159-D161 IonicContact NE2-OD2 3.4Å
162R68.7Low62Low222 Ų222166.6 Ų166.684%0.83881%0.808SS**  trans-10382.3170.1-170.3-175-89.1-171.4-5.8108M160M160-R162 PolarHBondContact O-N 3.23Å
163W62.6Low62Low217 Ų217168.1 Ų168.182%0.82281%0.805SS**  trans-71.6128.9169.7-73.290.1000109.6
164R56.7Low62.3Low178 Ų178172.9 Ų172.967%0.67281%0.808SS**  trans-118.992.9-167.8-167.8-165.7-60.1-136.46.4105.7E166R164-E166 VanDerWaalsContact C-N 3.3Å; R164-E166 HydrophobicContact CG-CG 4.31Å; R164-E166 PolarHBondContact O-N 3.11Å
165D63.3Low62.5Low154 Ų154171.9 Ų171.982%0.82480%0.803SS**  trans-8977.6172.8-73.9-19.5000108.8
166E58.3Low62.3Low137 Ų137168.1 Ų168.164%0.6480%0.8SS**  trans-88.978.7158.8-76.7173.3175.400107.6R164 L168R164-E166 VanDerWaalsContact C-N 3.3Å; R164-E166 HydrophobicContact CG-CG 4.31Å; R164-E166 PolarHBondContact O-N 3.11Å; E166-L168 VanDerWaalsContact C-N 3.26Å; E166-L168 PolarHBondContact O-N 3.2Å; E166-L168 VanDerWaalsContact O-N 3.11Å
167S64.4Low62.3Low120 Ų120172.3 Ų172.384%0.83981%0.805SS**  trans-80.484.2162.150.80000108.2
168L53.8Low62.1Low146 Ų146167 Ų16776%0.76480%0.795SS**  trans-72.7143.2162.9-90.9153.2000110.3E166E166-L168 VanDerWaalsContact C-N 3.26Å; E166-L168 PolarHBondContact O-N 3.2Å; E166-L168 VanDerWaalsContact O-N 3.11Å
169N55.9Low62.1Low238 Ų238166.8 Ų166.8100%1.27380%0.796SS**  trans78.40170.3-93.4-1.6000118.7

Retrieved 169 of 169 residues in 181.7 ms (Link to these results)