A0A5K4F6V7_SCHMA Loading...

28S ribosomal protein S21, mitochondrial

AlphaFold DB , UniProt , Accession A0A5K4F6V7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 96 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
1M45.7Very low72.4Confident241 Ų241112.5 Ų112.5100%1.18763%0.63SS**  0116.90-76169.9117.700108.3K3M1-K3 PolarHBondContact O-N 2.88Å
2S56.7Low73.1Confident122 Ų122113.4 Ų113.485%0.85362%0.623SS**  trans-61.4119.8175.8178.50000109.4S4S2-S4 PolarHBondContact O-N 3.49Å; S2-S4 VanDerWaalsContact O-N 3.12Å
3K63.6Low73.8Confident201 Ų201114.8 Ų114.887%0.87462%0.619SS**  trans-60.4114.7169.3-73.5177.1177.9176.50107M1 S5M1-K3 PolarHBondContact O-N 2.88Å; K3-S5 PolarHBondContact O-N 3.04Å
4S64.8Low74.5Confident62 Ų62115 Ų11543%0.43462%0.62SS.*  trans-63.9119.4172.550.90000108.5S2 L6 F11S2-S4 PolarHBondContact O-N 3.49Å; S2-S4 VanDerWaalsContact O-N 3.12Å; S4-L6 PolarHBondContact O-N 3.27Å; S4-F11 WeakPolarHBondContact OG-CD2 3.22Å; S4-F11 WeakPolarHBondContact OG-CE2 3Å
5S76.2Confident75.4Confident120 Ų120114.4 Ų114.484%0.83961%0.609SS**  trans-76.28.6177.253.10000113.7K3K3-S5 PolarHBondContact O-N 3.04Å
6L75.8Confident76.2Confident89 Ų89119.4 Ų119.447%0.46662%0.617SS.*SBendtrans-76.4141.4-176.6-63.2174.8000110.3S4 T10S4-L6 PolarHBondContact O-N 3.27Å; L6-T10 HydrophobicContact CB-CG2 4.47Å; L6-T10 HydrophobicContact CD1-CG2 4.32Å; L6-T10 HydrophobicContact CD2-CG2 4.39Å
7P84.7Confident76.9Confident77 Ų77121.5 Ų121.550%0.562%0.621SS.*  trans-50.9142.9166.9-25.434000110.8D9 T10 F11P7-D9 PolarHBondContact O-N 3.33Å; P7-D9 VanDerWaalsContact O-N 3.1Å; P7-T10 WeakPolarHBondContact O-CA 3.18Å; P7-T10 WeakPolarHBondContact O-CB 3.35Å; P7-T10 PolarHBondContact O-N 2.84Å; P7-F11 PolarHBondContact O-N 2.99Å
8V82.7Confident77.7Confident97 Ų97120.6 Ų120.659%0.58862%0.617SS**Hα-helixtrans-51-40.3-173.9-179.70000111.7T10 F11 F12V8-T10 VanDerWaalsContact C-N 3.32Å; V8-T10 PolarHBondContact O-N 3.02Å; V8-F11 WeakPolarHBondContact O-CB 3.21Å; V8-F11 PolarHBondContact O-N 2.97Å; V8-F12 HydrophobicContact CG1-CD2 3.75Å; V8-F12 HydrophobicContact CG1-CE2 3.49Å; V8-F12 VanDerWaalsContact CG1-CE2 3.49Å; V8-F12 VanDerWaalsContact O-CD2 3.28Å; V8-F12 WeakPolarHBondContact O-CD2 2.97Å; V8-F12 PolarHBondContact O-N 3.17Å; V8-F12 VanDerWaalsContact O-N 3.13Å
9D82.9Confident78.2Confident110 Ų110121.3 Ų121.359%0.58862%0.615SS**Hα-helixtrans-63.6-36.9179.2-18.2-64000112.4P7 K13P7-D9 PolarHBondContact O-N 3.33Å; P7-D9 VanDerWaalsContact O-N 3.1Å; D9-K13 WeakPolarHBondContact O-CD 3.43Å; D9-K13 WeakPolarHBondContact O-CG 3.37Å; D9-K13 PolarHBondContact O-N 3.26Å
10T83.1Confident78.8Confident49 Ų49119.9 Ų119.930%0.30161%0.605SS.*Hα-helixtrans-75.8-36.8178.3-56.40000110.8L6 P7 V8 K13 N14L6-T10 HydrophobicContact CB-CG2 4.47Å; L6-T10 HydrophobicContact CD1-CG2 4.32Å; L6-T10 HydrophobicContact CD2-CG2 4.39Å; P7-T10 WeakPolarHBondContact O-CA 3.18Å; P7-T10 WeakPolarHBondContact O-CB 3.35Å; P7-T10 PolarHBondContact O-N 2.84Å; V8-T10 VanDerWaalsContact C-N 3.32Å; V8-T10 PolarHBondContact O-N 3.02Å; T10-K13 PolarHBondContact O-N 3.28Å; T10-N14 PolarHBondContact O-N 3.16Å
11F80.3Confident79.6Confident69 Ų69117.8 Ų117.830%0.30360%0.598SS.*Hα-helixtrans-59.2-52.3176.7179.1-98000111.5S4 P7 V8 K13 N14 F15S4-F11 WeakPolarHBondContact OG-CD2 3.22Å; S4-F11 WeakPolarHBondContact OG-CE2 3Å; P7-F11 PolarHBondContact O-N 2.99Å; V8-F11 WeakPolarHBondContact O-CB 3.21Å; V8-F11 PolarHBondContact O-N 2.97Å; F11-K13 VanDerWaalsContact C-N 3.3Å; F11-K13 PolarHBondContact O-N 3.4Å; F11-N14 CarbonylContact O-C 3.59Å; F11-N14 PolarHBondContact O-N 3.47Å; F11-N14 VanDerWaalsContact O-N 3.16Å; F11-F15 HydrophobicContact CD1-CD2 4.45Å; F11-F15 AromaticContact CE1-CD2 3.65Å; F11-F15 HydrophobicContact CE1-CD2 3.65Å; F11-F15 AromaticContact CE1-CE2 3.97Å; F11-F15 HydrophobicContact CE1-CE2 3.97Å; F11-F15 HydrophobicContact CE2-CD2 4.15Å; F11-F15 HydrophobicContact CE2-CE2 4.4Å; F11-F15 AromaticContact CZ-CD2 3.49Å; F11-F15 HydrophobicContact CZ-CD2 3.49Å; F11-F15 VanDerWaalsContact CZ-CD2 3.49Å; F11-F15 AromaticContact CZ-CE2 3.56Å; F11-F15 HydrophobicContact CZ-CE2 3.56Å; F11-F15 PolarHBondContact O-N 3.26Å
12F81.1Confident81.9Confident124 Ų124108.9 Ų108.954%0.54456%0.555SS.*Hα-helixtrans-66.7-30.3179.2-74-66000113.2V8 N14V8-F12 HydrophobicContact CG1-CD2 3.75Å; V8-F12 HydrophobicContact CG1-CE2 3.49Å; V8-F12 VanDerWaalsContact CG1-CE2 3.49Å; V8-F12 VanDerWaalsContact O-CD2 3.28Å; V8-F12 WeakPolarHBondContact O-CD2 2.97Å; V8-F12 PolarHBondContact O-N 3.17Å; V8-F12 VanDerWaalsContact O-N 3.13Å; F12-N14 VanDerWaalsContact C-N 3.27Å; F12-N14 PolarHBondContact O-N 3.45Å
13K82.3Confident83.7Confident131 Ų131109.8 Ų109.857%0.5755%0.549SS*.Hα-helixtrans-63.8-31.9174.1-79.1172.5-173.4175.40112.7D9 T10 F11 K19D9-K13 WeakPolarHBondContact O-CD 3.43Å; D9-K13 WeakPolarHBondContact O-CG 3.37Å; D9-K13 PolarHBondContact O-N 3.26Å; T10-K13 PolarHBondContact O-N 3.28Å; F11-K13 VanDerWaalsContact C-N 3.3Å; F11-K13 PolarHBondContact O-N 3.4Å; K13-K19 WeakPolarHBondContact O-CE 3.47Å; K13-K19 PolarHBondContact O-NZ 3.44Å
14N83.3Confident85.3Confident118 Ų118103.1 Ų103.163%0.63153%0.525SS*.THydrogen-bonded Turntrans-116.514.6-172.2-64.6-25.5000113.5T10 F11 F12 R16T10-N14 PolarHBondContact O-N 3.16Å; F11-N14 CarbonylContact O-C 3.59Å; F11-N14 PolarHBondContact O-N 3.47Å; F11-N14 VanDerWaalsContact O-N 3.16Å; F12-N14 VanDerWaalsContact C-N 3.27Å; F12-N14 PolarHBondContact O-N 3.45Å; N14-R16 PolarHBondContact O-N 3.04Å
15F88.2Confident86.6Confident106 Ų106105.6 Ų105.647%0.46553%0.533SS..  trans-64.8129178.5-162.1-98.5000111F11 L18F11-F15 HydrophobicContact CD1-CD2 4.45Å; F11-F15 AromaticContact CE1-CD2 3.65Å; F11-F15 HydrophobicContact CE1-CD2 3.65Å; F11-F15 AromaticContact CE1-CE2 3.97Å; F11-F15 HydrophobicContact CE1-CE2 3.97Å; F11-F15 HydrophobicContact CE2-CD2 4.15Å; F11-F15 HydrophobicContact CE2-CE2 4.4Å; F11-F15 AromaticContact CZ-CD2 3.49Å; F11-F15 HydrophobicContact CZ-CD2 3.49Å; F11-F15 VanDerWaalsContact CZ-CD2 3.49Å; F11-F15 AromaticContact CZ-CE2 3.56Å; F11-F15 HydrophobicContact CZ-CE2 3.56Å; F11-F15 PolarHBondContact O-N 3.26Å; F15-L18 HydrophobicContact CB-CB 4.19Å; F15-L18 HydrophobicContact CB-CD2 4.19Å; F15-L18 HydrophobicContact CD1-CB 4.17Å; F15-L18 PolarHBondContact O-N 3.12Å
16R87.6Confident87.4Confident194 Ų194107.6 Ų107.673%0.73253%0.534SS*.THydrogen-bonded Turntrans-63.2140.6-178.7-68175.564.1177.10.3110N14 L18N14-R16 PolarHBondContact O-N 3.04Å; R16-L18 PolarHBondContact O-N 3.43Å; R16-L18 VanDerWaalsContact O-N 3.1Å
17F89.1Confident88.2Confident156 Ų156109.1 Ų109.168%0.68454%0.543SS*.THydrogen-bonded Turntrans62.68.3178.4-49.8-74000116.3T21F17-T21 HydrophobicContact CB-CG2 4.5Å; F17-T21 VanDerWaalsContact O-CB 3.25Å; F17-T21 WeakPolarHBondContact O-CB 3.4Å; F17-T21 PolarHBondContact O-OG1 2.81Å; F17-T21 VanDerWaalsContact O-OG1 3.09Å
18L89.9Confident88.7Confident105 Ų105108.9 Ų108.955%0.5554%0.537SS..THydrogen-bonded Turntrans-82.2-44.4174-17264.2000111.8F15 R16F15-L18 HydrophobicContact CB-CB 4.19Å; F15-L18 HydrophobicContact CB-CD2 4.19Å; F15-L18 HydrophobicContact CD1-CB 4.17Å; F15-L18 PolarHBondContact O-N 3.12Å; R16-L18 PolarHBondContact O-N 3.43Å; R16-L18 VanDerWaalsContact O-N 3.1Å
19K88.7Confident89.3Confident134 Ų134111.5 Ų111.558%0.58354%0.538SS*.SBendtrans-85.8140.7-177.6-69.4178.1171.4173.80111.2K13 T21K13-K19 WeakPolarHBondContact O-CE 3.47Å; K13-K19 PolarHBondContact O-NZ 3.44Å; K19-T21 PolarHBondContact O-N 2.93Å; K19-T21 PolarHBondContact O-OG1 3.07Å
20K90.1Very high90Very high92 Ų92111.6 Ų111.640%0.454%0.538SS..SBendtrans46.536.5171.5-61.2-177.6-177.6-72.90113.9I36 D43 V45K20-I36 HydrophobicContact CB-CD1 4.25Å; K20-I36 WeakPolarHBondContact O-CD1 3.15Å; K20-D43 IonicContact NZ-OD2 3.9Å; K20-D43 PolarHBondContact NZ-OD2 3.48Å; K20-V45 VanDerWaalsContact NZ-CG2 3.28Å
21T94.3Very high90.6Very high77 Ų77109.9 Ų109.947%0.47253%0.531SS..  trans-107.8141.4178-59.50000108.3F17 K19F17-T21 HydrophobicContact CB-CG2 4.5Å; F17-T21 VanDerWaalsContact O-CB 3.25Å; F17-T21 WeakPolarHBondContact O-CB 3.4Å; F17-T21 PolarHBondContact O-OG1 2.81Å; F17-T21 VanDerWaalsContact O-OG1 3.09Å; K19-T21 PolarHBondContact O-N 2.93Å; K19-T21 PolarHBondContact O-OG1 3.07Å
22I94Very high91.3Very high53 Ų53107.4 Ų107.427%0.27252%0.523SS..  trans-126.9135.7179.3-63.4-171.9000108.1A32 I36 I39I22-A32 HydrophobicContact CG2-CB 4.35Å; I22-I36 VanDerWaalsContact CD1-CA 3.41Å; I22-I36 HydrophobicContact CD1-CB 3.6Å; I22-I36 HydrophobicContact CD1-CD1 4.14Å; I22-I36 HydrophobicContact CD1-CG1 4.46Å; I22-I36 HydrophobicContact CG1-CB 4.33Å; I22-I36 HydrophobicContact CG1-CD1 4.21Å; I22-I39 HydrophobicContact CD1-CD1 3.77Å; I22-I39 HydrophobicContact CG1-CD1 4.25Å
23I95.2Very high92.1Very high142 Ų142107.8 Ų107.873%0.72853%0.525SS*.PPolyproline II helixtrans-80.9129.9171.4-61.1172.1000108
24V96.1Very high92.7Very high61 Ų61108.9 Ų108.937%0.3753%0.525SS..PPolyproline II helixtrans-81.5125.5176.5-1750000108.4Y29 A32V24-Y29 HydrophobicContact CG1-CD1 4.22Å; V24-Y29 HydrophobicContact CG1-CE1 4.42Å; V24-A32 HydrophobicContact CB-CB 4.41Å; V24-A32 HydrophobicContact CG1-CB 4.33Å; V24-A32 HydrophobicContact CG2-CB 3.84Å
25N93.4Very high93.3Very high114 Ų114106 Ų10661%0.6151%0.514SS*.PPolyproline II helixtrans-100.8138.5176.4-62.9-32.9000109.6D27 D28N25-D27 VanDerWaalsContact C-N 3.26Å; N25-D27 PolarHBondContact O-N 3.45Å; N25-D28 PolarHBondContact O-N 3.41Å
26N93.1Very high93.7Very high161 Ų161102.5 Ų102.586%0.86150%0.5SS*.THydrogen-bonded Turntrans50.739.1171.2-56.3-25.7000114.7D28N26-D28 PolarHBondContact O-N 3.49Å
27D93.1Very high94.1Very high121 Ų12194.8 Ų94.865%0.64747%0.473SS*.THydrogen-bonded Turntrans54.218.6-176.6-65.3-58.1000115N25 Y29N25-D27 VanDerWaalsContact C-N 3.26Å; N25-D27 PolarHBondContact O-N 3.45Å; D27-Y29 VanDerWaalsContact C-N 3.31Å; D27-Y29 HydrophobicContact CB-CE2 4.01Å; D27-Y29 WeakPolarHBondContact O-CD2 3.44Å; D27-Y29 WeakPolarHBondContact O-CE2 3.45Å; D27-Y29 PolarHBondContact O-N 3.47Å; D27-Y29 PolarHBondContact OD1-OH 3.18Å
28D95.2Very high94.4Very high73 Ų7394.4 Ų94.439%0.3947%0.471SS..  trans-83.376.6174.8-175.114.2000111.1N25 N26 N30 G31 A32N25-D28 PolarHBondContact O-N 3.41Å; N26-D28 PolarHBondContact O-N 3.49Å; D28-N30 PolarHBondContact O-N 3.1Å; D28-N30 PolarHBondContact OD1-N 2.82Å; D28-G31 VanDerWaalsContact CG-N 3.29Å; D28-G31 PolarHBondContact O-N 3.33Å; D28-G31 PolarHBondContact OD1-N 2.92Å; D28-G31 VanDerWaalsContact OD2-CA 3.27Å; D28-G31 WeakPolarHBondContact OD2-CA 3.27Å; D28-G31 PolarHBondContact OD2-N 3.38Å; D28-A32 PolarHBondContact O-N 2.81Å; D28-A32 VanDerWaalsContact O-N 3.1Å
29Y95.4Very high94.7Very high151 Ų15192.8 Ų92.859%0.59246%0.462SS*.Hα-helixtrans-58.7-35.8174.9-56.8-79.7000112.2V24 D27 A32 F33V24-Y29 HydrophobicContact CG1-CD1 4.22Å; V24-Y29 HydrophobicContact CG1-CE1 4.42Å; D27-Y29 VanDerWaalsContact C-N 3.31Å; D27-Y29 HydrophobicContact CB-CE2 4.01Å; D27-Y29 WeakPolarHBondContact O-CD2 3.44Å; D27-Y29 WeakPolarHBondContact O-CE2 3.45Å; D27-Y29 PolarHBondContact O-N 3.47Å; D27-Y29 PolarHBondContact OD1-OH 3.18Å; Y29-A32 PolarHBondContact O-N 3.41Å; Y29-F33 WeakPolarHBondContact O-CB 3.47Å; Y29-F33 PolarHBondContact O-N 3.36Å
30N95.9Very high95.1Very high112 Ų11288.5 Ų88.560%0.59945%0.445SS*.Hα-helixtrans-70.6-41.7-178.2-72.7-50000111.5D28 F33 R34D28-N30 PolarHBondContact O-N 3.1Å; D28-N30 PolarHBondContact OD1-N 2.82Å; N30-F33 PolarHBondContact O-N 3.01Å; N30-R34 WeakPolarHBondContact O-CG 3.46Å; N30-R34 PolarHBondContact O-N 3.27Å
31G95.6Very high95.4Very high14 Ų1487.8 Ų87.814%0.14445%0.446CS..Hα-helixtrans-63.1-42.7173.700000112.5D28 R34 S35D28-G31 VanDerWaalsContact CG-N 3.29Å; D28-G31 PolarHBondContact O-N 3.33Å; D28-G31 PolarHBondContact OD1-N 2.92Å; D28-G31 VanDerWaalsContact OD2-CA 3.27Å; D28-G31 WeakPolarHBondContact OD2-CA 3.27Å; D28-G31 PolarHBondContact OD2-N 3.38Å; G31-R34 PolarHBondContact O-N 2.96Å; G31-S35 WeakPolarHBondContact O-CB 3.32Å; G31-S35 PolarHBondContact O-N 2.73Å; G31-S35 PolarHBondContact O-OG 3.31Å
32A96.8Very high95.5Very high17 Ų1789.1 Ų89.114%0.1445%0.454CS..Hα-helixtrans-61.7-45173.400000111.5I22 V24 D28 Y29 R34 S35 I36I22-A32 HydrophobicContact CG2-CB 4.35Å; V24-A32 HydrophobicContact CB-CB 4.41Å; V24-A32 HydrophobicContact CG1-CB 4.33Å; V24-A32 HydrophobicContact CG2-CB 3.84Å; D28-A32 PolarHBondContact O-N 2.81Å; D28-A32 VanDerWaalsContact O-N 3.1Å; Y29-A32 PolarHBondContact O-N 3.41Å; A32-R34 PolarHBondContact O-N 2.91Å; A32-S35 WeakPolarHBondContact O-CB 3.27Å; A32-S35 PolarHBondContact O-N 3.22Å; A32-I36 PolarHBondContact O-N 3.27Å
33F96.5Very high95.6Very high131 Ų13190.8 Ų90.858%0.57546%0.463SS*.Hα-helixtrans-63.4-40.2178-171.2-110.6000112.7Y29 N30 S35 I36 N37Y29-F33 WeakPolarHBondContact O-CB 3.47Å; Y29-F33 PolarHBondContact O-N 3.36Å; N30-F33 PolarHBondContact O-N 3.01Å; F33-S35 VanDerWaalsContact C-N 3.33Å; F33-S35 PolarHBondContact O-N 3.12Å; F33-I36 HydrophobicContact CD2-CG2 4.14Å; F33-I36 WeakPolarHBondContact O-CG2 3.47Å; F33-N37 WeakPolarHBondContact CD1-ND2 2.95Å; F33-N37 WeakPolarHBondContact CE1-ND2 3.33Å; F33-N37 WeakPolarHBondContact CZ-ND2 3.36Å; F33-N37 WeakPolarHBondContact O-CB 3.21Å; F33-N37 PolarHBondContact O-N 2.9Å; F33-N37 PolarHBondContact O-ND2 3.05Å
34R95.9Very high95.6Very high155 Ų15589.5 Ų89.559%0.58545%0.452SS*.Hα-helixtrans-62.3-42.3173.3-75.7-174.6-68.8-97.10.2111.7N30 G31 A32 N37 K38N30-R34 WeakPolarHBondContact O-CG 3.46Å; N30-R34 PolarHBondContact O-N 3.27Å; G31-R34 PolarHBondContact O-N 2.96Å; A32-R34 PolarHBondContact O-N 2.91Å; R34-N37 PolarHBondContact O-N 3.48Å; R34-K38 PolarHBondContact O-N 3.37Å
35S95.5Very high95.6Very high57 Ų5788.8 Ų88.840%0.39945%0.448SS..Hα-helixtrans-63.1-46.7179.1-58.20000111.7G31 A32 F33 N37 K38 I39G31-S35 WeakPolarHBondContact O-CB 3.32Å; G31-S35 PolarHBondContact O-N 2.73Å; G31-S35 PolarHBondContact O-OG 3.31Å; A32-S35 WeakPolarHBondContact O-CB 3.27Å; A32-S35 PolarHBondContact O-N 3.22Å; F33-S35 VanDerWaalsContact C-N 3.33Å; F33-S35 PolarHBondContact O-N 3.12Å; S35-N37 PolarHBondContact O-N 3.49Å; S35-K38 WeakPolarHBondContact O-CB 3.37Å; S35-K38 PolarHBondContact O-N 2.97Å; S35-I39 WeakPolarHBondContact O-CG1 3.3Å; S35-I39 PolarHBondContact O-N 3.04Å
36I95.7Very high95.7Very high32 Ų3288.9 Ų88.916%0.16444%0.44CS..Hα-helixtrans-65.4-39.7178.4-172.662.3000111.6K20 I22 A32 F33 K38 I39 I40K20-I36 HydrophobicContact CB-CD1 4.25Å; K20-I36 WeakPolarHBondContact O-CD1 3.15Å; I22-I36 VanDerWaalsContact CD1-CA 3.41Å; I22-I36 HydrophobicContact CD1-CB 3.6Å; I22-I36 HydrophobicContact CD1-CD1 4.14Å; I22-I36 HydrophobicContact CD1-CG1 4.46Å; I22-I36 HydrophobicContact CG1-CB 4.33Å; I22-I36 HydrophobicContact CG1-CD1 4.21Å; A32-I36 PolarHBondContact O-N 3.27Å; F33-I36 HydrophobicContact CD2-CG2 4.14Å; F33-I36 WeakPolarHBondContact O-CG2 3.47Å; I36-K38 VanDerWaalsContact C-N 3.31Å; I36-K38 PolarHBondContact O-N 3.24Å; I36-I39 PolarHBondContact O-N 3.44Å; I36-I40 HydrophobicContact CD1-CD1 4.36Å; I36-I40 HydrophobicContact CD1-CG1 4.42Å; I36-I40 HydrophobicContact CG1-CD1 3.88Å; I36-I40 HydrophobicContact CG1-CG1 4.38Å; I36-I40 WeakPolarHBondContact O-CB 3.39Å; I36-I40 VanDerWaalsContact O-CG1 3.3Å; I36-I40 WeakPolarHBondContact O-CG1 3.32Å; I36-I40 PolarHBondContact O-N 3.08Å
37N96.4Very high95.8Very high32 Ų3283.2 Ų83.217%0.17141%0.413CS..Hα-helixtrans-61.7-40.1174.9-81.2-58.1000112.1F33 R34 S35 I40 N41 R46F33-N37 WeakPolarHBondContact CD1-ND2 2.95Å; F33-N37 WeakPolarHBondContact CE1-ND2 3.33Å; F33-N37 WeakPolarHBondContact CZ-ND2 3.36Å; F33-N37 WeakPolarHBondContact O-CB 3.21Å; F33-N37 PolarHBondContact O-N 2.9Å; F33-N37 PolarHBondContact O-ND2 3.05Å; R34-N37 PolarHBondContact O-N 3.48Å; S35-N37 PolarHBondContact O-N 3.49Å; N37-I40 PolarHBondContact O-N 3.03Å; N37-N41 WeakPolarHBondContact O-CB 3.42Å; N37-N41 PolarHBondContact O-N 3.45Å; N37-N41 PolarHBondContact O-ND2 3.33Å; N37-R46 PolarHBondContact OD1-NH2 3.17Å
38K96.4Very high95.9Very high149 Ų14980.6 Ų80.665%0.64840%0.401SS*.Hα-helixtrans-61.1-48.3174.8-174.1177.9179.5-179.80111.2R34 S35 I36 I40 N41 V42R34-K38 PolarHBondContact O-N 3.37Å; S35-K38 WeakPolarHBondContact O-CB 3.37Å; S35-K38 PolarHBondContact O-N 2.97Å; I36-K38 VanDerWaalsContact C-N 3.31Å; I36-K38 PolarHBondContact O-N 3.24Å; K38-I40 PolarHBondContact O-N 2.71Å; K38-N41 PolarHBondContact O-N 3.23Å; K38-V42 HydrophobicContact CG-CG2 4.37Å; K38-V42 WeakPolarHBondContact O-CG2 3.25Å; K38-V42 PolarHBondContact O-N 3.47Å
39I96.4Very high96Very high70 Ų7080.5 Ų80.536%0.35940%0.403SS..Hα-helixtrans-59.3-47.3177.9-64.4174.5000110.9I22 S35 I36 N41 V42 D43I22-I39 HydrophobicContact CD1-CD1 3.77Å; I22-I39 HydrophobicContact CG1-CD1 4.25Å; S35-I39 WeakPolarHBondContact O-CG1 3.3Å; S35-I39 PolarHBondContact O-N 3.04Å; I36-I39 PolarHBondContact O-N 3.44Å; I39-N41 VanDerWaalsContact C-N 3.28Å; I39-N41 PolarHBondContact O-N 3.01Å; I39-V42 PolarHBondContact O-N 2.92Å; I39-D43 WeakPolarHBondContact O-CB 3.44Å; I39-D43 PolarHBondContact O-N 3.47Å
40I96.6Very high96Very high44 Ų4477.4 Ų77.423%0.22640%0.397CS..Hα-helixtrans-59.4-38.7178.6-72.2170.7000112I36 N37 K38 K44 V45 R46I36-I40 HydrophobicContact CD1-CD1 4.36Å; I36-I40 HydrophobicContact CD1-CG1 4.42Å; I36-I40 HydrophobicContact CG1-CD1 3.88Å; I36-I40 HydrophobicContact CG1-CG1 4.38Å; I36-I40 WeakPolarHBondContact O-CB 3.39Å; I36-I40 VanDerWaalsContact O-CG1 3.3Å; I36-I40 WeakPolarHBondContact O-CG1 3.32Å; I36-I40 PolarHBondContact O-N 3.08Å; N37-I40 PolarHBondContact O-N 3.03Å; K38-I40 PolarHBondContact O-N 2.71Å; I40-K44 PolarHBondContact O-N 3.1Å; I40-V45 HydrophobicContact CG2-CB 4.24Å; I40-V45 PolarHBondContact O-N 3.09Å; I40-R46 HydrophobicContact CG2-CB 3.98Å
41N96.3Very high95.9Very high77 Ų7776 Ų7641%0.41239%0.386SS..Hα-helixtrans-74.3-43.3179.6-72-25000112.4N37 K38 I39 K44N37-N41 WeakPolarHBondContact O-CB 3.42Å; N37-N41 PolarHBondContact O-N 3.45Å; N37-N41 PolarHBondContact O-ND2 3.33Å; K38-N41 PolarHBondContact O-N 3.23Å; I39-N41 VanDerWaalsContact C-N 3.28Å; I39-N41 PolarHBondContact O-N 3.01Å; N41-K44 PolarHBondContact O-N 3.45Å; N41-K44 VanDerWaalsContact O-N 3.07Å
42V95.9Very high95.9Very high106 Ų10682.2 Ų82.264%0.64241%0.411SS*.Hα-helixtrans-62-44.1177.6170.90000110.9K38 I39 K44K38-V42 HydrophobicContact CG-CG2 4.37Å; K38-V42 WeakPolarHBondContact O-CG2 3.25Å; K38-V42 PolarHBondContact O-N 3.47Å; I39-V42 PolarHBondContact O-N 2.92Å; V42-K44 PolarHBondContact O-N 2.66Å; V42-K44 VanDerWaalsContact O-N 3.11Å
43D95.7Very high95.9Very high88 Ų8888 Ų8847%0.47144%0.435SS..THydrogen-bonded Turntrans-71.60.4176.3-70.8-8.8000113.4K20 I39 V45K20-D43 IonicContact NZ-OD2 3.9Å; K20-D43 PolarHBondContact NZ-OD2 3.48Å; I39-D43 WeakPolarHBondContact O-CB 3.44Å; I39-D43 PolarHBondContact O-N 3.47Å; D43-V45 HydrophobicContact CB-CG2 3.84Å; D43-V45 PolarHBondContact O-N 3.01Å; D43-V45 VanDerWaalsContact O-N 3.08Å
44K95.3Very high95.9Very high114 Ų11492 Ų9250%0.49645%0.446SS..THydrogen-bonded Turntrans54.526.3-176.8-59.4-176.6-179.4-179.60114I40 N41 V42 S47 T48I40-K44 PolarHBondContact O-N 3.1Å; N41-K44 PolarHBondContact O-N 3.45Å; N41-K44 VanDerWaalsContact O-N 3.07Å; V42-K44 PolarHBondContact O-N 2.66Å; V42-K44 VanDerWaalsContact O-N 3.11Å; K44-S47 PolarHBondContact O-OG 3.03Å; K44-T48 WeakPolarHBondContact O-CB 3.25Å; K44-T48 PolarHBondContact O-N 3.42Å; K44-T48 PolarHBondContact O-OG1 3.04Å
45V96.2Very high96Very high47 Ų4793.5 Ų93.529%0.28545%0.454SS..Hα-helixtrans-69.8-42.8-179.2174.50000110.8K20 I40 D43 S47 T48 V49K20-V45 VanDerWaalsContact NZ-CG2 3.28Å; I40-V45 HydrophobicContact CG2-CB 4.24Å; I40-V45 PolarHBondContact O-N 3.09Å; D43-V45 HydrophobicContact CB-CG2 3.84Å; D43-V45 PolarHBondContact O-N 3.01Å; D43-V45 VanDerWaalsContact O-N 3.08Å; V45-S47 PolarHBondContact O-N 3.27Å; V45-T48 PolarHBondContact O-N 3.2Å; V45-V49 HydrophobicContact CG1-CG2 4.28Å; V45-V49 WeakPolarHBondContact O-CG2 3.49Å; V45-V49 PolarHBondContact O-N 2.97Å
46R95.4Very high96Very high115 Ų11593.5 Ų93.543%0.43445%0.447SS..Hα-helixtrans-58.4-47.7177.8179.8177.3-70.2176.1-0.5112.1N37 I40 V49 N50N37-R46 PolarHBondContact OD1-NH2 3.17Å; I40-R46 HydrophobicContact CG2-CB 3.98Å; R46-V49 PolarHBondContact O-N 2.95Å; R46-N50 PolarHBondContact O-N 2.95Å; R46-N50 PolarHBondContact O-ND2 3.39Å; R46-N50 PolarHBondContact O-OD1 3.07Å
47S95.1Very high96.1Very high43 Ų4398 Ų9830%0.30147%0.466SS..Hα-helixtrans-65.3-41.3178.152.70000111.4K44 V45 V49 N50 F51K44-S47 PolarHBondContact O-OG 3.03Å; V45-S47 PolarHBondContact O-N 3.27Å; S47-V49 PolarHBondContact O-N 3.1Å; S47-N50 PolarHBondContact O-N 2.96Å; S47-F51 WeakPolarHBondContact O-CD2 3.46Å; S47-F51 WeakPolarHBondContact O-CG 3.36Å; S47-F51 PolarHBondContact O-N 3.48Å
48T96.1Very high96.2Very high65 Ų6599.5 Ų99.540%0.39948%0.477SS..Hα-helixtrans-59.2-48.2176.7-57.20000111.8K44 V45 N50 F51 Q52K44-T48 WeakPolarHBondContact O-CB 3.25Å; K44-T48 PolarHBondContact O-N 3.42Å; K44-T48 PolarHBondContact O-OG1 3.04Å; V45-T48 PolarHBondContact O-N 3.2Å; T48-N50 VanDerWaalsContact C-N 3.35Å; T48-N50 PolarHBondContact O-N 3.18Å; T48-F51 PolarHBondContact O-N 2.9Å; T48-Q52 HydrophobicContact CG2-CG 4.49Å; T48-Q52 WeakPolarHBondContact O-CB 3.35Å; T48-Q52 VanDerWaalsContact O-CG 3.27Å; T48-Q52 WeakPolarHBondContact O-CG 3.43Å; T48-Q52 PolarHBondContact O-N 3.41Å
49V96.5Very high96.3Very high71 Ų7196 Ų9643%0.4347%0.468SS..Hα-helixtrans-59.9-45.4176.5170.90000110.8V45 R46 S47 F51 Q52 Q53V45-V49 HydrophobicContact CG1-CG2 4.28Å; V45-V49 WeakPolarHBondContact O-CG2 3.49Å; V45-V49 PolarHBondContact O-N 2.97Å; R46-V49 PolarHBondContact O-N 2.95Å; S47-V49 PolarHBondContact O-N 3.1Å; V49-F51 VanDerWaalsContact C-N 3.35Å; V49-F51 PolarHBondContact O-N 3.43Å; V49-Q52 PolarHBondContact O-N 3.12Å; V49-Q52 VanDerWaalsContact O-N 3.12Å; V49-Q53 WeakPolarHBondContact O-CG 3.46Å; V49-Q53 PolarHBondContact O-N 3.22Å; V49-Q53 VanDerWaalsContact O-N 3.16Å
50N95.1Very high96.4Very high87 Ų8795.7 Ų95.747%0.46547%0.467SS..Hα-helixtrans-61.5-41.5178.3-69.7-9.4000112.3R46 S47 T48 Q52 Q53R46-N50 PolarHBondContact O-N 2.95Å; R46-N50 PolarHBondContact O-ND2 3.39Å; R46-N50 PolarHBondContact O-OD1 3.07Å; S47-N50 PolarHBondContact O-N 2.96Å; T48-N50 VanDerWaalsContact C-N 3.35Å; T48-N50 PolarHBondContact O-N 3.18Å; N50-Q52 VanDerWaalsContact C-N 3.3Å; N50-Q52 PolarHBondContact O-N 2.86Å; N50-Q53 PolarHBondContact O-N 2.88Å
51F94.7Very high96.4Very high83 Ų8399.6 Ų99.636%0.36448%0.479SS..Hα-helixtrans-68.6-28.3175.6-65.7-51.3000112.8S47 T48 V49S47-F51 WeakPolarHBondContact O-CD2 3.46Å; S47-F51 WeakPolarHBondContact O-CG 3.36Å; S47-F51 PolarHBondContact O-N 3.48Å; T48-F51 PolarHBondContact O-N 2.9Å; V49-F51 VanDerWaalsContact C-N 3.35Å; V49-F51 PolarHBondContact O-N 3.43Å
52Q95.8Very high96.5Very high144 Ų144102.8 Ų102.867%0.67349%0.486SS*.Hα-helixtrans-79.1-16177.9-74.1174.8-28.800113.8T48 V49 N50 R54T48-Q52 HydrophobicContact CG2-CG 4.49Å; T48-Q52 WeakPolarHBondContact O-CB 3.35Å; T48-Q52 VanDerWaalsContact O-CG 3.27Å; T48-Q52 WeakPolarHBondContact O-CG 3.43Å; T48-Q52 PolarHBondContact O-N 3.41Å; V49-Q52 PolarHBondContact O-N 3.12Å; V49-Q52 VanDerWaalsContact O-N 3.12Å; N50-Q52 VanDerWaalsContact C-N 3.3Å; N50-Q52 PolarHBondContact O-N 2.86Å; Q52-R54 PolarHBondContact O-N 3.23Å
53Q96.9Very high96.6Very high138 Ų138106.3 Ų106.365%0.64549%0.487SS*.THydrogen-bonded Turntrans-63.4-26.8178.9-74.4173.92.900113.3V49 N50V49-Q53 WeakPolarHBondContact O-CG 3.46Å; V49-Q53 PolarHBondContact O-N 3.22Å; V49-Q53 VanDerWaalsContact O-N 3.16Å; N50-Q53 PolarHBondContact O-N 2.88Å
54R96.2Very high96.7Very high214 Ų214104.5 Ų104.581%0.80847%0.474SS*.SBendtrans-135.1149.9178.7-62.4-177.1-178.7-174.1-0.4109.2Q52 E56Q52-R54 PolarHBondContact O-N 3.23Å; R54-E56 PolarHBondContact O-N 3.4Å
55Y97.1Very high96.8Very high188 Ų188104 Ų10474%0.73747%0.47SS*.PPolyproline II helixtrans-67121.2173176.2-105.8000110.7K57 P58Y55-K57 HydrophobicContact CD1-CG 4.44Å; Y55-K57 HydrophobicContact CE1-CB 4.44Å; Y55-K57 HydrophobicContact CE1-CG 3.9Å; Y55-P58 WeakPolarHBondContact OH-CD 3.37Å
56E96.6Very high96.9Very high56 Ų56106.5 Ų106.526%0.26248%0.48SS..PPolyproline II helixtrans-95.5123.2169.7-172.7177.8-151.500108.9R54 D60 W61 R64R54-E56 PolarHBondContact O-N 3.4Å; E56-D60 HydrophobicContact CG-CB 4.11Å; E56-W61 HydrophobicContact CG-CB 4.07Å; E56-R64 IonicContact OE1-CZ 3.92Å; E56-R64 IonicContact OE1-NE 2.69Å; E56-R64 PolarHBondContact OE1-NE 2.86Å; E56-R64 IonicContact OE1-NH2 2.88Å; E56-R64 IonicContact OE2-CZ 3.71Å; E56-R64 IonicContact OE2-NE 2.66Å; E56-R64 PolarHBondContact OE2-NE 2.68Å; E56-R64 IonicContact OE2-NH2 2.81Å; E56-R64 PolarHBondContact OE2-NH2 3.16Å
57K98.2Very high97Very high128 Ų128108 Ų10856%0.55749%0.486SS*.PPolyproline II helixtrans-61.6146.9177.7-67.1177.9179.31780110Y55 T59 D60 W61Y55-K57 HydrophobicContact CD1-CG 4.44Å; Y55-K57 HydrophobicContact CE1-CB 4.44Å; Y55-K57 HydrophobicContact CE1-CG 3.9Å; K57-T59 PolarHBondContact O-N 3.32Å; K57-T59 VanDerWaalsContact O-N 3.1Å; K57-D60 PolarHBondContact O-N 3.24Å; K57-W61 PolarHBondContact O-N 3.38Å
58P98.2Very high97.1Very high62 Ų62108.8 Ų108.840%0.40349%0.485SS..Hα-helixtrans-57.7-30.5-179.5-27.934.6000114.2Y55 R62Y55-P58 WeakPolarHBondContact OH-CD 3.37Å; P58-R62 WeakPolarHBondContact O-CB 3.4Å; P58-R62 VanDerWaalsContact O-CG 3.25Å; P58-R62 WeakPolarHBondContact O-CG 3.5Å; P58-R62 PolarHBondContact O-N 3.37Å; P58-R62 VanDerWaalsContact O-N 3.12Å; P58-R62 PolarHBondContact O-NH1 3.35Å
59T98.3Very high97.2Very high76 Ų76112.3 Ų112.347%0.46649%0.491SS..Hα-helixtrans-66.9-42.4174.848.90000112.1K57 R62 R63K57-T59 PolarHBondContact O-N 3.32Å; K57-T59 VanDerWaalsContact O-N 3.1Å; T59-R62 PolarHBondContact O-N 3.13Å; T59-R63 WeakPolarHBondContact O-CG 3.4Å; T59-R63 PolarHBondContact O-N 3.26Å; T59-R63 VanDerWaalsContact O-N 3.07Å
60D97.3Very high97.3Very high64 Ų64113 Ų11334%0.34250%0.498SS..Hα-helixtrans-72.6-41.9-178.6-60.5-29.4000110.3E56 K57 R62 R63 R64E56-D60 HydrophobicContact CG-CB 4.11Å; K57-D60 PolarHBondContact O-N 3.24Å; D60-R62 VanDerWaalsContact C-N 3.35Å; D60-R62 PolarHBondContact O-N 3.11Å; D60-R63 PolarHBondContact O-N 3.07Å; D60-R63 IonicContact OD1-NH1 3.71Å; D60-R64 WeakPolarHBondContact O-CB 3.04Å; D60-R64 PolarHBondContact O-N 3Å
61W97.5Very high97.5Very high126 Ų126113.8 Ų113.848%0.47750%0.497SS..Hα-helixtrans-56.2-46.4172.7-179.992.5000112.1E56 K57 R64 Y65E56-W61 HydrophobicContact CG-CB 4.07Å; K57-W61 PolarHBondContact O-N 3.38Å; W61-R64 PolarHBondContact O-N 2.91Å; W61-Y65 WeakPolarHBondContact O-CB 3.46Å; W61-Y65 PolarHBondContact O-N 3.37Å
62R98.5Very high97.6Very high144 Ų144115.8 Ų115.854%0.54350%0.502SS..Hα-helixtrans-63-43.8177-73.9179.9-162.5109.9-4.2111.6P58 T59 D60 Y65 M66P58-R62 WeakPolarHBondContact O-CB 3.4Å; P58-R62 VanDerWaalsContact O-CG 3.25Å; P58-R62 WeakPolarHBondContact O-CG 3.5Å; P58-R62 PolarHBondContact O-N 3.37Å; P58-R62 VanDerWaalsContact O-N 3.12Å; P58-R62 PolarHBondContact O-NH1 3.35Å; T59-R62 PolarHBondContact O-N 3.13Å; D60-R62 VanDerWaalsContact C-N 3.35Å; D60-R62 PolarHBondContact O-N 3.11Å; R62-Y65 PolarHBondContact O-N 3Å; R62-M66 VanDerWaalsContact O-CG 3.29Å; R62-M66 WeakPolarHBondContact O-CG 3.4Å; R62-M66 PolarHBondContact O-N 3.44Å
63R98.2Very high97.8Very high180 Ų180113 Ų11368%0.67950%0.495SS*.Hα-helixtrans-60.7-47.2176.9-75.2173.7179.6171.4-3.2111.4T59 D60 M66 Y67T59-R63 WeakPolarHBondContact O-CG 3.4Å; T59-R63 PolarHBondContact O-N 3.26Å; T59-R63 VanDerWaalsContact O-N 3.07Å; D60-R63 PolarHBondContact O-N 3.07Å; D60-R63 IonicContact OD1-NH1 3.71Å; R63-M66 PolarHBondContact O-N 3.03Å; R63-Y67 WeakPolarHBondContact O-CB 3.29Å; R63-Y67 PolarHBondContact O-N 2.84Å
64R97.3Very high97.8Very high49 Ų49113.4 Ų113.419%0.18549%0.492CS..Hα-helixtrans-60.7-48.5177.2-179.5175.958.476.4-3.3111.5E56 D60 W61 M66 Y67 E68E56-R64 IonicContact OE1-CZ 3.92Å; E56-R64 IonicContact OE1-NE 2.69Å; E56-R64 PolarHBondContact OE1-NE 2.86Å; E56-R64 IonicContact OE1-NH2 2.88Å; E56-R64 IonicContact OE2-CZ 3.71Å; E56-R64 IonicContact OE2-NE 2.66Å; E56-R64 PolarHBondContact OE2-NE 2.68Å; E56-R64 IonicContact OE2-NH2 2.81Å; E56-R64 PolarHBondContact OE2-NH2 3.16Å; D60-R64 WeakPolarHBondContact O-CB 3.04Å; D60-R64 PolarHBondContact O-N 3Å; W61-R64 PolarHBondContact O-N 2.91Å; R64-M66 VanDerWaalsContact C-N 3.33Å; R64-M66 PolarHBondContact O-N 3.39Å; R64-Y67 WeakPolarHBondContact O-CB 3.46Å; R64-Y67 PolarHBondContact O-N 2.87Å; R64-E68 HydrophobicContact CG-CG 4.39Å; R64-E68 WeakPolarHBondContact CG-OE1 3.22Å; R64-E68 IonicContact CZ-OE1 3.47Å; R64-E68 IonicContact NH1-OE1 2.73Å; R64-E68 PolarHBondContact NH1-OE1 3.02Å; R64-E68 WeakPolarHBondContact O-CG 3.44Å; R64-E68 PolarHBondContact O-N 3.1Å
65Y97Very high98Very high104 Ų104107 Ų10741%0.40847%0.473SS..Hα-helixtrans-58.7-44.2179.1-178-92.3000112.1W61 R62 E68 R69W61-Y65 WeakPolarHBondContact O-CB 3.46Å; W61-Y65 PolarHBondContact O-N 3.37Å; R62-Y65 PolarHBondContact O-N 3Å; Y65-E68 PolarHBondContact O-N 2.92Å; Y65-R69 WeakPolarHBondContact O-CB 3.28Å; Y65-R69 PolarHBondContact O-N 3.4Å
66M98.3Very high98Very high100 Ų100101.6 Ų101.649%0.49346%0.463SS..Hα-helixtrans-65.4-43.7176.5-67.6-57.2162.400112R62 R63 R64 E68 R69 C70R62-M66 VanDerWaalsContact O-CG 3.29Å; R62-M66 WeakPolarHBondContact O-CG 3.4Å; R62-M66 PolarHBondContact O-N 3.44Å; R63-M66 PolarHBondContact O-N 3.03Å; R64-M66 VanDerWaalsContact C-N 3.33Å; R64-M66 PolarHBondContact O-N 3.39Å; M66-E68 PolarHBondContact O-N 3.23Å; M66-R69 PolarHBondContact O-N 3.48Å; M66-C70 PolarHBondContact O-N 3.5Å; M66-C70 PolarHBondContact O-SG 3.29Å; M66-C70 VanDerWaalsContact O-SG 3.4Å
67Y98.4Very high98.1Very high147 Ų147103.1 Ų103.158%0.57647%0.47SS*.Hα-helixtrans-57.6-49.5174.3170.4-97.4000112.1R63 R64 R69 C70 K71R63-Y67 WeakPolarHBondContact O-CB 3.29Å; R63-Y67 PolarHBondContact O-N 2.84Å; R64-Y67 WeakPolarHBondContact O-CB 3.46Å; R64-Y67 PolarHBondContact O-N 2.87Å; Y67-R69 VanDerWaalsContact C-N 3.26Å; Y67-R69 PolarHBondContact O-N 3.32Å; Y67-C70 PolarHBondContact O-N 3.4Å; Y67-K71 HydrophobicContact CE1-CD 4.15Å; Y67-K71 VanDerWaalsContact O-CB 3.28Å; Y67-K71 WeakPolarHBondContact O-CB 3.28Å; Y67-K71 PolarHBondContact O-N 2.92Å
68E97.3Very high98.1Very high58 Ų5899.9 Ų99.927%0.27146%0.458SS..Hα-helixtrans-60.8-35.8178.4-73.6177.9-159.400112.2R64 Y65 M66 R72R64-E68 HydrophobicContact CG-CG 4.39Å; R64-E68 WeakPolarHBondContact CG-OE1 3.22Å; R64-E68 IonicContact CZ-OE1 3.47Å; R64-E68 IonicContact NH1-OE1 2.73Å; R64-E68 PolarHBondContact NH1-OE1 3.02Å; R64-E68 WeakPolarHBondContact O-CG 3.44Å; R64-E68 PolarHBondContact O-N 3.1Å; Y65-E68 PolarHBondContact O-N 2.92Å; M66-E68 PolarHBondContact O-N 3.23Å; E68-R72 WeakPolarHBondContact O-CB 3.39Å; E68-R72 PolarHBondContact O-N 3.44Å; E68-R72 VanDerWaalsContact O-N 3.1Å; E68-R72 PolarHBondContact O-NH2 2.93Å
69R98.2Very high98.1Very high140 Ų140100.2 Ų100.253%0.52846%0.462SS..Hα-helixtrans-68-50.6175.8-176.5179.4-179.9177.70.9111.5Y65 M66 Y67 K71 R72 V73Y65-R69 WeakPolarHBondContact O-CB 3.28Å; Y65-R69 PolarHBondContact O-N 3.4Å; M66-R69 PolarHBondContact O-N 3.48Å; Y67-R69 VanDerWaalsContact C-N 3.26Å; Y67-R69 PolarHBondContact O-N 3.32Å; R69-K71 VanDerWaalsContact C-N 3.34Å; R69-K71 PolarHBondContact O-N 3.1Å; R69-R72 PolarHBondContact O-N 3.45Å; R69-V73 WeakPolarHBondContact O-CG2 3.46Å; R69-V73 PolarHBondContact O-N 3.24Å; R69-V73 VanDerWaalsContact O-N 3.12Å
70C98.5Very high98.1Very high86 Ų86103.7 Ų103.758%0.58147%0.466SS*.Hα-helixtrans-61.8-42.7178.8-69.10000111.5M66 Y67 R72 V73 Y74M66-C70 PolarHBondContact O-N 3.5Å; M66-C70 PolarHBondContact O-SG 3.29Å; M66-C70 VanDerWaalsContact O-SG 3.4Å; Y67-C70 PolarHBondContact O-N 3.4Å; C70-R72 PolarHBondContact O-N 3.27Å; C70-V73 PolarHBondContact O-N 3.29Å; C70-Y74 WeakPolarHBondContact O-CB 3.46Å; C70-Y74 PolarHBondContact O-N 3.06Å
71K98.5Very high98.2Very high102 Ų102106.5 Ų106.544%0.44348%0.476SS..Hα-helixtrans-57.8-46.9175-177.3174.5-177.8175.90111.7Y67 R69 V73 Y74 D75Y67-K71 HydrophobicContact CE1-CD 4.15Å; Y67-K71 VanDerWaalsContact O-CB 3.28Å; Y67-K71 WeakPolarHBondContact O-CB 3.28Å; Y67-K71 PolarHBondContact O-N 2.92Å; R69-K71 VanDerWaalsContact C-N 3.34Å; R69-K71 PolarHBondContact O-N 3.1Å; K71-V73 VanDerWaalsContact C-N 3.34Å; K71-V73 PolarHBondContact O-N 3.4Å; K71-Y74 PolarHBondContact O-N 2.83Å; K71-D75 WeakPolarHBondContact CG-OD2 3.25Å; K71-D75 WeakPolarHBondContact O-CB 3.42Å; K71-D75 PolarHBondContact O-N 3.12Å
72R98.1Very high98.2Very high125 Ų125105.1 Ų105.147%0.47248%0.476SS..Hα-helixtrans-59.5-43.3178.1-172.4-173.9-48.1105.114.4112.9E68 R69 C70 S76E68-R72 WeakPolarHBondContact O-CB 3.39Å; E68-R72 PolarHBondContact O-N 3.44Å; E68-R72 VanDerWaalsContact O-N 3.1Å; E68-R72 PolarHBondContact O-NH2 2.93Å; R69-R72 PolarHBondContact O-N 3.45Å; C70-R72 PolarHBondContact O-N 3.27Å; R72-S76 WeakPolarHBondContact O-CB 3.47Å; R72-S76 PolarHBondContact O-N 3.48Å
73V98.5Very high98.1Very high85 Ų85101.5 Ų101.552%0.51547%0.473SS..Hα-helixtrans-63.5-48.21771740000109.9R69 C70 K71 S76 E77R69-V73 WeakPolarHBondContact O-CG2 3.46Å; R69-V73 PolarHBondContact O-N 3.24Å; R69-V73 VanDerWaalsContact O-N 3.12Å; C70-V73 PolarHBondContact O-N 3.29Å; K71-V73 VanDerWaalsContact C-N 3.34Å; K71-V73 PolarHBondContact O-N 3.4Å; V73-S76 PolarHBondContact O-N 3.26Å; V73-E77 HydrophobicContact CG1-CG 4.38Å; V73-E77 WeakPolarHBondContact O-CB 3.48Å; V73-E77 WeakPolarHBondContact O-CG 3.35Å; V73-E77 PolarHBondContact O-N 3.37Å
74Y98.7Very high98Very high147 Ų14797.9 Ų97.958%0.57647%0.467SS*.Hα-helixtrans-58.6-50.1178.2-177.8-88.5000112.4C70 K71 S76 E77 M78C70-Y74 WeakPolarHBondContact O-CB 3.46Å; C70-Y74 PolarHBondContact O-N 3.06Å; K71-Y74 PolarHBondContact O-N 2.83Å; Y74-S76 VanDerWaalsContact C-N 3.29Å; Y74-S76 PolarHBondContact O-N 2.93Å; Y74-E77 PolarHBondContact O-N 3.32Å; Y74-M78 HydrophobicContact CE1-CB 4.34Å; Y74-M78 HydrophobicContact CE1-CE 4.11Å; Y74-M78 HydrophobicContact CE2-CE 4.19Å; Y74-M78 VanDerWaalsContact O-CB 3.27Å; Y74-M78 WeakPolarHBondContact O-CB 3.3Å; Y74-M78 PolarHBondContact O-N 3.38Å; Y74-M78 VanDerWaalsContact OH-CE 3.25Å; Y74-M78 WeakPolarHBondContact OH-CE 3.27Å
75D98.5Very high97.9Very high80 Ų8099.1 Ų99.143%0.42848%0.48SS..Hα-helixtrans-60.7-40.7-179.4-67.8-15.2000110.8K71 S79K71-D75 WeakPolarHBondContact CG-OD2 3.25Å; K71-D75 WeakPolarHBondContact O-CB 3.42Å; K71-D75 PolarHBondContact O-N 3.12Å; D75-S79 VanDerWaalsContact O-CB 3.3Å; D75-S79 WeakPolarHBondContact O-CB 3.39Å; D75-S79 PolarHBondContact O-N 2.8Å
76S98.5Very high97.9Very high75 Ų7599.6 Ų99.652%0.52449%0.488SS..Hα-helixtrans-66.3-44.8177-169.70000112.5R72 V73 Y74 S79 R80R72-S76 WeakPolarHBondContact O-CB 3.47Å; R72-S76 PolarHBondContact O-N 3.48Å; V73-S76 PolarHBondContact O-N 3.26Å; Y74-S76 VanDerWaalsContact C-N 3.29Å; Y74-S76 PolarHBondContact O-N 2.93Å; S76-S79 PolarHBondContact O-N 3Å; S76-R80 WeakPolarHBondContact O-CB 3.48Å; S76-R80 PolarHBondContact O-N 3.48Å
77E98.7Very high97.6Very high87 Ų87104 Ų10441%0.40750%0.499SS..Hα-helixtrans-68.5-38.7178.9-73.2-56.2127.900111.8V73 Y74 R80 K81V73-E77 HydrophobicContact CG1-CG 4.38Å; V73-E77 WeakPolarHBondContact O-CB 3.48Å; V73-E77 WeakPolarHBondContact O-CG 3.35Å; V73-E77 PolarHBondContact O-N 3.37Å; Y74-E77 PolarHBondContact O-N 3.32Å; E77-R80 WeakPolarHBondContact O-CB 3.35Å; E77-R80 PolarHBondContact O-N 2.84Å; E77-R80 IonicContact OE1-NE 3.85Å; E77-R80 IonicContact OE2-CZ 3.22Å; E77-R80 IonicContact OE2-NE 2.9Å; E77-R80 PolarHBondContact OE2-NE 2.91Å; E77-R80 IonicContact OE2-NH2 3.31Å; E77-R80 PolarHBondContact OE2-NH2 3.19Å; E77-K81 PolarHBondContact O-N 3.19Å
78M98.6Very high97.2Very high61 Ų61101.5 Ų101.530%0.350%0.499SS..Hα-helixtrans-66.4-43.7175.9-170.658.269.200111Y74 R80 K81 I82Y74-M78 HydrophobicContact CE1-CB 4.34Å; Y74-M78 HydrophobicContact CE1-CE 4.11Å; Y74-M78 HydrophobicContact CE2-CE 4.19Å; Y74-M78 VanDerWaalsContact O-CB 3.27Å; Y74-M78 WeakPolarHBondContact O-CB 3.3Å; Y74-M78 PolarHBondContact O-N 3.38Å; Y74-M78 VanDerWaalsContact OH-CE 3.25Å; Y74-M78 WeakPolarHBondContact OH-CE 3.27Å; M78-R80 VanDerWaalsContact C-N 3.28Å; M78-R80 PolarHBondContact O-N 3.49Å; M78-K81 WeakPolarHBondContact O-CB 3.48Å; M78-K81 PolarHBondContact O-N 3.31Å; M78-K81 VanDerWaalsContact O-N 3.17Å; M78-K81 HydrophobicContact SD-CD 4.23Å; M78-I82 HydrophobicContact CG-CD1 3.99Å; M78-I82 HydrophobicContact CG-CG1 4.47Å; M78-I82 VanDerWaalsContact O-CG1 3.29Å; M78-I82 WeakPolarHBondContact O-CG1 3.29Å; M78-I82 PolarHBondContact O-N 2.95Å
79S98.2Very high97Very high69 Ų69106.7 Ų106.748%0.48352%0.523SS..Hα-helixtrans-58-42.7173.4-172.70000111.2D75 S76 I82 S83D75-S79 VanDerWaalsContact O-CB 3.3Å; D75-S79 WeakPolarHBondContact O-CB 3.39Å; D75-S79 PolarHBondContact O-N 2.8Å; S76-S79 PolarHBondContact O-N 3Å; S79-I82 PolarHBondContact O-N 3.35Å; S79-S83 PolarHBondContact O-N 3.07Å; S79-S83 PolarHBondContact O-OG 3.17Å; S79-S83 VanDerWaalsContact O-OG 3.07Å
80R97.9Very high96.7Very high149 Ų149108 Ų10856%0.56253%0.528SS*.Hα-helixtrans-61.3-43.9175.7-173.6-177.266.573.6-0.3111.9S76 E77 M78 S83 L84S76-R80 WeakPolarHBondContact O-CB 3.48Å; S76-R80 PolarHBondContact O-N 3.48Å; E77-R80 WeakPolarHBondContact O-CB 3.35Å; E77-R80 PolarHBondContact O-N 2.84Å; E77-R80 IonicContact OE1-NE 3.85Å; E77-R80 IonicContact OE2-CZ 3.22Å; E77-R80 IonicContact OE2-NE 2.9Å; E77-R80 PolarHBondContact OE2-NE 2.91Å; E77-R80 IonicContact OE2-NH2 3.31Å; E77-R80 PolarHBondContact OE2-NH2 3.19Å; M78-R80 VanDerWaalsContact C-N 3.28Å; M78-R80 PolarHBondContact O-N 3.49Å; R80-S83 PolarHBondContact O-N 2.87Å; R80-L84 PolarHBondContact O-N 2.69Å; R80-L84 VanDerWaalsContact O-N 3.15Å
81K98.1Very high96.4Very high123 Ų123110.3 Ų110.354%0.53554%0.539SS..Hα-helixtrans-62.4-45.8175.7-178-179.8178-178.60111.6E77 M78 L84 V85E77-K81 PolarHBondContact O-N 3.19Å; M78-K81 WeakPolarHBondContact O-CB 3.48Å; M78-K81 PolarHBondContact O-N 3.31Å; M78-K81 VanDerWaalsContact O-N 3.17Å; M78-K81 HydrophobicContact SD-CD 4.23Å; K81-L84 WeakPolarHBondContact O-CB 3.45Å; K81-L84 PolarHBondContact O-N 2.83Å; K81-L84 VanDerWaalsContact O-N 3.17Å; K81-V85 HydrophobicContact CG-CG2 4.36Å; K81-V85 WeakPolarHBondContact O-CG2 3.39Å; K81-V85 PolarHBondContact O-N 2.91Å
82I97.7Very high96Very high96 Ų96110.3 Ų110.349%0.49254%0.544SS..Hα-helixtrans-60.7-47.9178.4-68.8165.7000110.2M78 S79 L84 V85 I86M78-I82 HydrophobicContact CG-CD1 3.99Å; M78-I82 HydrophobicContact CG-CG1 4.47Å; M78-I82 VanDerWaalsContact O-CG1 3.29Å; M78-I82 WeakPolarHBondContact O-CG1 3.29Å; M78-I82 PolarHBondContact O-N 2.95Å; S79-I82 PolarHBondContact O-N 3.35Å; I82-L84 PolarHBondContact O-N 3.32Å; I82-V85 PolarHBondContact O-N 3.17Å; I82-I86 WeakPolarHBondContact O-CB 3.42Å; I82-I86 PolarHBondContact O-N 3.47Å
83S96.9Very high95.8Very high68 Ų68107.7 Ų107.748%0.47654%0.543SS..Hα-helixtrans-61.5-25.1177.5-60.40000113.7S79 R80 I86S79-S83 PolarHBondContact O-N 3.07Å; S79-S83 PolarHBondContact O-OG 3.17Å; S79-S83 VanDerWaalsContact O-OG 3.07Å; R80-S83 PolarHBondContact O-N 2.87Å; S83-I86 WeakPolarHBondContact O-CG2 3.45Å
84L96.1Very high95.5Very high104 Ų104113.5 Ų113.555%0.54556%0.556SS.*Hα-helixtrans-76.2-52.2172.2-179.667.1000111.2R80 K81 I82 I86 R87R80-L84 PolarHBondContact O-N 2.69Å; R80-L84 VanDerWaalsContact O-N 3.15Å; K81-L84 WeakPolarHBondContact O-CB 3.45Å; K81-L84 PolarHBondContact O-N 2.83Å; K81-L84 VanDerWaalsContact O-N 3.17Å; I82-L84 PolarHBondContact O-N 3.32Å; L84-I86 PolarHBondContact O-N 3.17Å; L84-R87 WeakPolarHBondContact O-CB 3.44Å; L84-R87 PolarHBondContact O-N 2.9Å
85V96.2Very high94.9Very high76 Ų76111.9 Ų111.946%0.46156%0.563SS.*Hα-helixtrans-69.5-30.7-175.4175.80000112.2K81 I82 R87 T88K81-V85 HydrophobicContact CG-CG2 4.36Å; K81-V85 WeakPolarHBondContact O-CG2 3.39Å; K81-V85 PolarHBondContact O-N 2.91Å; I82-V85 PolarHBondContact O-N 3.17Å; V85-R87 PolarHBondContact O-N 2.96Å; V85-T88 PolarHBondContact O-N 2.88Å; V85-T88 PolarHBondContact O-OG1 3.05Å
86I96Very high94.3Very high113 Ų113123.3 Ų123.358%0.57960%0.6SS**G310 helixtrans-59.2-25.6179.8-158.1164.2000112.4I82 S83 L84 T88 H89I82-I86 WeakPolarHBondContact O-CB 3.42Å; I82-I86 PolarHBondContact O-N 3.47Å; S83-I86 WeakPolarHBondContact O-CG2 3.45Å; L84-I86 PolarHBondContact O-N 3.17Å; I86-T88 PolarHBondContact O-N 3.15Å; I86-H89 WeakPolarHBondContact O-CB 3.4Å; I86-H89 PolarHBondContact O-N 2.81Å; I86-H89 VanDerWaalsContact O-N 3.17Å
87R91.1Very high94Very high194 Ų194125.7 Ų125.773%0.73260%0.604SS**G310 helixtrans-65-25.5174.7-60.8179.5178-173.7-3.1113.1L84 V85L84-R87 WeakPolarHBondContact O-CB 3.44Å; L84-R87 PolarHBondContact O-N 2.9Å; V85-R87 PolarHBondContact O-N 2.96Å
88T91.8Very high93.8Very high93 Ų93127.7 Ų127.757%0.57161%0.614SS**G310 helixtrans-93.2-5.4177.663.50000112.8V85 I86 R90V85-T88 PolarHBondContact O-N 2.88Å; V85-T88 PolarHBondContact O-OG1 3.05Å; I86-T88 PolarHBondContact O-N 3.15Å; T88-R90 PolarHBondContact O-N 3.41Å
89H92.7Very high93.5Very high168 Ų168131.4 Ų131.478%0.77863%0.632SS**  trans-7855177.2-168.2-75.2000111.6I86I86-H89 WeakPolarHBondContact O-CB 3.4Å; I86-H89 PolarHBondContact O-N 2.81Å; I86-H89 VanDerWaalsContact O-N 3.17Å
90R91Very high93.3Very high168 Ų168135.1 Ų135.163%0.63464%0.641SS**SBendtrans-104.5163.3169.960.3177.7-176-93.30.4109.1T88T88-R90 PolarHBondContact O-N 3.41Å
91V91.8Very high93Very high133 Ų133134.3 Ų134.381%0.80665%0.646SS**  trans-55.5140.8167.6-1790000108.5P93V91-P93 WeakPolarHBondContact O-CD 3.38Å
92D91.5Very high92.6Very high103 Ų103135 Ų13555%0.55165%0.653SS**  trans-55.1120.9177.1-1757.4000109.4W94D92-W94 PolarHBondContact O-N 3.31Å; D92-W94 PolarHBondContact OD1-N 3.13Å; D92-W94 VanDerWaalsContact OD1-N 3.13Å
93P93.1Very high92.3Very high69 Ų69137.8 Ų137.845%0.44866%0.664SS.*SBendtrans-65.7-15177.825.5-34.3000113.2V91 P95V91-P93 WeakPolarHBondContact O-CD 3.38Å; P93-P95 VanDerWaalsContact C-CD 3.4Å; P93-P95 VanDerWaalsContact O-CD 3.31Å; P93-P95 WeakPolarHBondContact O-CD 3.31Å
94W93.1Very high91.9Very high208 Ų208143.2 Ų143.279%0.78868%0.679SS**SBendtrans-121.567.5-176.5-49112.8000112.1D92 R96D92-W94 PolarHBondContact O-N 3.31Å; D92-W94 PolarHBondContact OD1-N 3.13Å; D92-W94 VanDerWaalsContact OD1-N 3.13Å; W94-R96 PolarHBondContact O-N 3.22Å
95P86.1Confident91.6Very high112 Ų112146.4 Ų146.473%0.72769%0.69SS**  trans-62.3128.1172.828-32.3000109.3P93P93-P95 VanDerWaalsContact C-CD 3.4Å; P93-P95 VanDerWaalsContact O-CD 3.31Å; P93-P95 WeakPolarHBondContact O-CD 3.31Å
96R84.5Confident91.1Very high320 Ų320152.8 Ų152.8100%1.20871%0.711SS**  trans-83.50171.7-83.9-173.9-80.1-138.8-5.1111.5W94W94-R96 PolarHBondContact O-N 3.22Å

Retrieved 96 of 96 residues in 131.8 ms (Link to these results)