A0A3Q0KLQ2_SCHMA Loading...

U11/U12 small nuclear ribonucleoprotein 48 kDa protein

AlphaFold DB , UniProt , Accession A0A3Q0KLQ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 313 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
1M59.3Low81.8Confident198 Ų198114.4 Ų114.498%0.97558%0.577SS**  0-74.10-68.5-106.3-124.200111.6V3 D4 E5M1-V3 PolarHBondContact O-N 2.94Å; M1-D4 VanDerWaalsContact CA-OD2 3.23Å; M1-D4 WeakPolarHBondContact CA-OD2 3.32Å; M1-D4 PolarHBondContact N-OD2 2.98Å; M1-D4 PolarHBondContact O-N 3.43Å; M1-E5 PolarHBondContact O-N 3.47Å
2L72.3Confident82.4Confident159 Ų159114.3 Ų114.383%0.83257%0.573SS**Hα-helixtrans-57.7-42.5-178.7-85.8162.3000113.7D4 E5 S6L2-D4 VanDerWaalsContact C-N 3.35Å; L2-D4 PolarHBondContact O-N 3.15Å; L2-E5 PolarHBondContact O-N 3.35Å; L2-S6 PolarHBondContact O-N 2.91Å; L2-S6 VanDerWaalsContact O-N 3.12Å; L2-S6 PolarHBondContact O-OG 3.26Å
3V81.9Confident82.9Confident109 Ų109112.4 Ų112.466%0.66157%0.565SS**Hα-helixtrans-65.8-36.6179.7-178.50000112.2M1 S6 R7M1-V3 PolarHBondContact O-N 2.94Å; V3-S6 WeakPolarHBondContact CA-OG 3.46Å; V3-S6 PolarHBondContact O-OG 3.16Å; V3-R7 WeakPolarHBondContact O-CB 3.39Å; V3-R7 PolarHBondContact O-N 3.48Å
4D82.2Confident83.1Confident93 Ų93105.3 Ų105.350%0.49753%0.529SS..Hα-helixtrans-68.2-39-179.3-49.6-70.9000111.1M1 L2 R7 K8M1-D4 VanDerWaalsContact CA-OD2 3.23Å; M1-D4 WeakPolarHBondContact CA-OD2 3.32Å; M1-D4 PolarHBondContact N-OD2 2.98Å; M1-D4 PolarHBondContact O-N 3.43Å; L2-D4 VanDerWaalsContact C-N 3.35Å; L2-D4 PolarHBondContact O-N 3.15Å; D4-R7 PolarHBondContact O-N 2.98Å; D4-K8 WeakPolarHBondContact O-CG 3.29Å; D4-K8 PolarHBondContact O-N 3.46Å; D4-K8 VanDerWaalsContact O-N 3.07Å
5E87.1Confident83.2Confident98 Ų98103.9 Ų103.946%0.45853%0.533SS..Hα-helixtrans-70.9-43178.1-156.963.2-168.600111.6M1 L2 R7 K8 L9M1-E5 PolarHBondContact O-N 3.47Å; L2-E5 PolarHBondContact O-N 3.35Å; E5-R7 PolarHBondContact O-N 2.88Å; E5-K8 PolarHBondContact O-N 3.3Å; E5-K8 IonicContact OE2-NZ 3.99Å; E5-K8 PolarHBondContact OE2-NZ 2.95Å; E5-L9 WeakPolarHBondContact O-CG 3.47Å; E5-L9 PolarHBondContact O-N 3.45Å
6S84.9Confident83.5Confident66 Ų66105.1 Ų105.146%0.46254%0.541SS..Hα-helixtrans-61.4-34172.755.80000112.7L2 V3 L10L2-S6 PolarHBondContact O-N 2.91Å; L2-S6 VanDerWaalsContact O-N 3.12Å; L2-S6 PolarHBondContact O-OG 3.26Å; V3-S6 WeakPolarHBondContact CA-OG 3.46Å; V3-S6 PolarHBondContact O-OG 3.16Å; S6-L10 VanDerWaalsContact O-CB 3.29Å; S6-L10 WeakPolarHBondContact O-CB 3.43Å; S6-L10 PolarHBondContact O-N 2.9Å
7R84.7Confident83.6Confident165 Ų165106.7 Ų106.762%0.62354%0.544SS*.Hα-helixtrans-70.3-36.9177.3-172177-179.3-142.9-1112.1V3 D4 E5 N11V3-R7 WeakPolarHBondContact O-CB 3.39Å; V3-R7 PolarHBondContact O-N 3.48Å; D4-R7 PolarHBondContact O-N 2.98Å; E5-R7 PolarHBondContact O-N 2.88Å; R7-N11 VanDerWaalsContact O-CG 3.22Å; R7-N11 PolarHBondContact O-N 3.31Å; R7-N11 PolarHBondContact O-ND2 3Å
8K87.3Confident83.4Confident120 Ų120104.4 Ų104.452%0.52255%0.551SS.*Hα-helixtrans-63.3-51.8172.5-69.1173.8-160.9160.50111.4D4 E5 L10 N11 E12D4-K8 WeakPolarHBondContact O-CG 3.29Å; D4-K8 PolarHBondContact O-N 3.46Å; D4-K8 VanDerWaalsContact O-N 3.07Å; E5-K8 PolarHBondContact O-N 3.3Å; E5-K8 IonicContact OE2-NZ 3.99Å; E5-K8 PolarHBondContact OE2-NZ 2.95Å; K8-L10 VanDerWaalsContact C-N 3.26Å; K8-L10 PolarHBondContact O-N 3.12Å; K8-N11 PolarHBondContact O-N 3Å; K8-N11 VanDerWaalsContact O-N 3.08Å; K8-E12 WeakPolarHBondContact O-CB 3.5Å; K8-E12 PolarHBondContact O-N 3.47Å
9L89.4Confident83.3Confident91 Ų91105.4 Ų105.448%0.47655%0.546SS..Hα-helixtrans-58.9-38.4178.7-68.8171.3000111.9E5 E12 L13E5-L9 WeakPolarHBondContact O-CG 3.47Å; E5-L9 PolarHBondContact O-N 3.45Å; L9-E12 PolarHBondContact O-N 2.69Å; L9-L13 WeakPolarHBondContact O-CB 3.31Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.32Å
10L86.1Confident82.9Confident96 Ų96104.2 Ų104.250%0.50354%0.544SS..Hα-helixtrans-64.1-46.1174.3-178.261.8000111.7S6 K8 E12 L13 I14S6-L10 VanDerWaalsContact O-CB 3.29Å; S6-L10 WeakPolarHBondContact O-CB 3.43Å; S6-L10 PolarHBondContact O-N 2.9Å; K8-L10 VanDerWaalsContact C-N 3.26Å; K8-L10 PolarHBondContact O-N 3.12Å; L10-E12 VanDerWaalsContact C-N 3.34Å; L10-E12 PolarHBondContact O-N 2.68Å; L10-L13 PolarHBondContact O-N 2.99Å; L10-I14 HydrophobicContact CD1-CD1 4.12Å; L10-I14 HydrophobicContact CD1-CG1 4.4Å; L10-I14 HydrophobicContact CG-CD1 3.8Å; L10-I14 WeakPolarHBondContact O-CB 3.45Å; L10-I14 WeakPolarHBondContact O-CD1 3.48Å; L10-I14 WeakPolarHBondContact O-CG1 3.23Å; L10-I14 PolarHBondContact O-N 3.08Å
11N84.4Confident82.2Confident63 Ų63104.9 Ų104.934%0.33755%0.545SS..Hα-helixtrans-64.7-35.7177.1-70.5-23000112.9R7 K8 S15R7-N11 VanDerWaalsContact O-CG 3.22Å; R7-N11 PolarHBondContact O-N 3.31Å; R7-N11 PolarHBondContact O-ND2 3Å; K8-N11 PolarHBondContact O-N 3Å; K8-N11 VanDerWaalsContact O-N 3.08Å; N11-S15 WeakPolarHBondContact O-CB 3.27Å; N11-S15 PolarHBondContact O-N 3.27Å; N11-S15 PolarHBondContact O-OG 3.27Å
12E89.3Confident82.8Confident113 Ų113102.7 Ų102.753%0.52853%0.532SS..Hα-helixtrans-62.7-52.8173.7-172.5173.9-167.900110.5K8 L9 L10 I14 S15 D16K8-E12 WeakPolarHBondContact O-CB 3.5Å; K8-E12 PolarHBondContact O-N 3.47Å; L9-E12 PolarHBondContact O-N 2.69Å; L10-E12 VanDerWaalsContact C-N 3.34Å; L10-E12 PolarHBondContact O-N 2.68Å; E12-I14 PolarHBondContact O-N 3.44Å; E12-S15 WeakPolarHBondContact O-CA 3.33Å; E12-S15 WeakPolarHBondContact O-CB 3.46Å; E12-S15 PolarHBondContact O-N 2.97Å; E12-D16 PolarHBondContact O-N 3.07Å
13L88.9Confident82.5Confident90 Ų90101.5 Ų101.547%0.47152%0.52SS..Hα-helixtrans-58.8-42.8175.5-71.6168.9000112.8L9 L10 S15 D16 F17L9-L13 WeakPolarHBondContact O-CB 3.31Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.32Å; L10-L13 PolarHBondContact O-N 2.99Å; L13-S15 VanDerWaalsContact C-N 3.26Å; L13-S15 PolarHBondContact O-N 3.47Å; L13-D16 PolarHBondContact O-N 3.46Å; L13-F17 HydrophobicContact CB-CE2 4.49Å; L13-F17 WeakPolarHBondContact O-CD2 3.35Å; L13-F17 PolarHBondContact O-N 3.3Å
14I85.1Confident81.7Confident13 Ų13100.4 Ų100.47%0.06751%0.51CS..Hα-helixtrans-57.1-43.1174.8-74.6165.3000110.7L10 E12 F17 G18 W19 L24L10-I14 HydrophobicContact CD1-CD1 4.12Å; L10-I14 HydrophobicContact CD1-CG1 4.4Å; L10-I14 HydrophobicContact CG-CD1 3.8Å; L10-I14 WeakPolarHBondContact O-CB 3.45Å; L10-I14 WeakPolarHBondContact O-CD1 3.48Å; L10-I14 WeakPolarHBondContact O-CG1 3.23Å; L10-I14 PolarHBondContact O-N 3.08Å; E12-I14 PolarHBondContact O-N 3.44Å; I14-F17 PolarHBondContact O-N 3.47Å; I14-G18 PolarHBondContact O-N 3Å; I14-W19 HydrophobicContact CG2-CB 4.19Å; I14-W19 WeakPolarHBondContact CG2-O 3.28Å; I14-W19 PolarHBondContact O-N 2.87Å; I14-L24 HydrophobicContact CD1-CD1 3.4Å; I14-L24 HydrophobicContact CG1-CD1 3.69Å
15S85.6Confident81Confident84 Ų8499.9 Ų99.959%0.58751%0.514SS*.Hα-helixtrans-68.1-40.9178.3-53.70000112N11 E12 L13 F17 G18N11-S15 WeakPolarHBondContact O-CB 3.27Å; N11-S15 PolarHBondContact O-N 3.27Å; N11-S15 PolarHBondContact O-OG 3.27Å; E12-S15 WeakPolarHBondContact O-CA 3.33Å; E12-S15 WeakPolarHBondContact O-CB 3.46Å; E12-S15 PolarHBondContact O-N 2.97Å; L13-S15 VanDerWaalsContact C-N 3.26Å; L13-S15 PolarHBondContact O-N 3.47Å; S15-F17 VanDerWaalsContact C-N 3.33Å; S15-F17 PolarHBondContact O-N 3.05Å; S15-G18 WeakPolarHBondContact O-CA 3.49Å; S15-G18 PolarHBondContact O-N 3.34Å
16D88.1Confident80.1Confident124 Ų124102 Ų10266%0.66352%0.518SS*.Hα-helixtrans-62.1-37.4176.7-77.4-11.6000112.6E12 L13 G18E12-D16 PolarHBondContact O-N 3.07Å; L13-D16 PolarHBondContact O-N 3.46Å; D16-G18 PolarHBondContact O-N 3.4Å
17F85.4Confident79.4Confident132 Ų132104 Ų10458%0.57953%0.53SS*.THydrogen-bonded Turntrans-78-3.1172.9-67.5-60.8000113.6L13 I14 S15 W19L13-F17 HydrophobicContact CB-CE2 4.49Å; L13-F17 WeakPolarHBondContact O-CD2 3.35Å; L13-F17 PolarHBondContact O-N 3.3Å; I14-F17 PolarHBondContact O-N 3.47Å; S15-F17 VanDerWaalsContact C-N 3.33Å; S15-F17 PolarHBondContact O-N 3.05Å; F17-W19 HydrophobicContact CB-CD2 3.83Å; F17-W19 HydrophobicContact CB-CE3 4.32Å; F17-W19 HydrophobicContact CB-CG 4.02Å; F17-W19 HydrophobicContact CB-CZ2 4.32Å; F17-W19 PolarHBondContact O-N 2.71Å; F17-W19 PolarHBondContact O-NE1 3.31Å
18G78.9Confident79Confident66 Ų6699 Ų9968%0.6852%0.518SS*.THydrogen-bonded Turntrans67.722.6-177.300000113.7I14 S15 D16I14-G18 PolarHBondContact O-N 3Å; S15-G18 WeakPolarHBondContact O-CA 3.49Å; S15-G18 PolarHBondContact O-N 3.34Å; D16-G18 PolarHBondContact O-N 3.4Å
19W81.6Confident78.8Confident122 Ų122100.1 Ų100.146%0.46253%0.525SS..  trans-90.9147-178.7-63-7.8000110.4I14 F17 F23 L24I14-W19 HydrophobicContact CG2-CB 4.19Å; I14-W19 WeakPolarHBondContact CG2-O 3.28Å; I14-W19 PolarHBondContact O-N 2.87Å; F17-W19 HydrophobicContact CB-CD2 3.83Å; F17-W19 HydrophobicContact CB-CE3 4.32Å; F17-W19 HydrophobicContact CB-CG 4.02Å; F17-W19 HydrophobicContact CB-CZ2 4.32Å; F17-W19 PolarHBondContact O-N 2.71Å; F17-W19 PolarHBondContact O-NE1 3.31Å; W19-F23 HydrophobicContact CD2-CD1 4.48Å; W19-F23 HydrophobicContact CG-CD1 4.35Å; W19-L24 HydrophobicContact CE3-CD2 4.05Å; W19-L24 HydrophobicContact CZ3-CD2 4.38Å
20T75.7Confident78.6Confident82 Ų82102.3 Ų102.350%0.50353%0.528SS..  trans-91152.8168.761.50000109.8E22 F23T20-E22 PolarHBondContact O-N 3.24Å; T20-F23 VanDerWaalsContact O-CB 3.32Å; T20-F23 WeakPolarHBondContact O-CB 3.27Å; T20-F23 PolarHBondContact O-N 2.93Å; T20-F23 PolarHBondContact OG1-N 2.96Å
21H68.3Low78.6Confident119 Ų11998.3 Ų98.355%0.55151%0.51SS*.Hα-helixtrans-60.9-25.7172.4-168.8-68.2000111.7L24 S25H21-L24 PolarHBondContact O-N 3.24Å; H21-S25 PolarHBondContact O-N 2.93Å; H21-S25 VanDerWaalsContact O-N 3.07Å
22E70.7Confident78.9Confident151 Ų151101.5 Ų101.571%0.70652%0.517SS*.Hα-helixtrans-62.6-40.2172-61.2-178.8167.800112T20 L24 S25 Y26T20-E22 PolarHBondContact O-N 3.24Å; E22-L24 VanDerWaalsContact C-N 3.28Å; E22-L24 PolarHBondContact O-N 3.19Å; E22-S25 WeakPolarHBondContact CA-OG 3.36Å; E22-S25 PolarHBondContact O-N 2.99Å; E22-S25 PolarHBondContact O-OG 3.33Å; E22-Y26 PolarHBondContact O-N 3.38Å
23F66.4Low79Confident135 Ų13596.4 Ų96.459%0.59249%0.494SS*.Hα-helixtrans-61.5-35.4177.2-170.8-100.6000112.5W19 T20W19-F23 HydrophobicContact CD2-CD1 4.48Å; W19-F23 HydrophobicContact CG-CD1 4.35Å; T20-F23 VanDerWaalsContact O-CB 3.32Å; T20-F23 WeakPolarHBondContact O-CB 3.27Å; T20-F23 PolarHBondContact O-N 2.93Å; T20-F23 PolarHBondContact OG1-N 2.96Å
24L65.7Low79.1Confident86 Ų8696.8 Ų96.845%0.4550%0.504SS..Hα-helixtrans-78.9-21.7173.5-64.2-172.8000114I14 W19 H21 E22 Y26I14-L24 HydrophobicContact CD1-CD1 3.4Å; I14-L24 HydrophobicContact CG1-CD1 3.69Å; W19-L24 HydrophobicContact CE3-CD2 4.05Å; W19-L24 HydrophobicContact CZ3-CD2 4.38Å; H21-L24 PolarHBondContact O-N 3.24Å; E22-L24 VanDerWaalsContact C-N 3.28Å; E22-L24 PolarHBondContact O-N 3.19Å; L24-Y26 VanDerWaalsContact C-N 3.32Å
25S68.3Low79.2Confident82 Ų82100.9 Ų100.957%0.57352%0.519SS*.Hα-helixtrans-77.2-18-178.574.60000113.8H21 E22 P27H21-S25 PolarHBondContact O-N 2.93Å; H21-S25 VanDerWaalsContact O-N 3.07Å; E22-S25 WeakPolarHBondContact CA-OG 3.36Å; E22-S25 PolarHBondContact O-N 2.99Å; E22-S25 PolarHBondContact O-OG 3.33Å; S25-P27 WeakPolarHBondContact O-CD 3.45Å
26Y67.9Low79.2Confident141 Ų14198 Ų9855%0.55350%0.499SS*.SBendtrans-83.6116.3178.2-163.8-86.6000110E22 L24 V28 K44E22-Y26 PolarHBondContact O-N 3.38Å; L24-Y26 VanDerWaalsContact C-N 3.32Å; Y26-V28 HydrophobicContact CD1-CG2 4.11Å; Y26-V28 PolarHBondContact O-N 3.04Å; Y26-K44 PolarHBondContact OH-NZ 3.3Å; Y26-K44 VanDerWaalsContact OH-NZ 3.16Å
27P69.7Low79Confident109 Ų10999 Ų9971%0.70850%0.5SS*.  trans-67.999.4177.227.7-33.4000109.8S25 E29S25-P27 WeakPolarHBondContact O-CD 3.45Å; P27-E29 PolarHBondContact O-N 2.92Å
28V76Confident79Confident59 Ų5998.8 Ų98.836%0.35851%0.505SS..  trans-83.2105.8168-178.60000107.5Y26 Y30 P42Y26-V28 HydrophobicContact CD1-CG2 4.11Å; Y26-V28 PolarHBondContact O-N 3.04Å; V28-Y30 HydrophobicContact CB-CE2 3.89Å; V28-Y30 HydrophobicContact CG1-CD2 4.32Å; V28-Y30 HydrophobicContact CG1-CE1 4.47Å; V28-Y30 HydrophobicContact CG1-CE2 3.84Å; V28-Y30 WeakPolarHBondContact O-CD2 3.34Å; V28-Y30 VanDerWaalsContact O-CE2 3.29Å; V28-Y30 WeakPolarHBondContact O-CE2 3.34Å; V28-Y30 PolarHBondContact O-N 2.91Å; V28-P42 HydrophobicContact CG1-CB 3.67Å; V28-P42 HydrophobicContact CG1-CG 3.8Å
29E82.7Confident79.4Confident144 Ų14497 Ų9767%0.67348%0.479SS*.  trans-64.5127.3170.1-64.7176178.500109.6P27 P42 V43P27-E29 PolarHBondContact O-N 2.92Å; E29-P42 CarbonylContact O-C 3.53Å; E29-P42 VanDerWaalsContact O-CA 3.31Å; E29-P42 WeakPolarHBondContact O-CA 3.46Å; E29-V43 HydrophobicContact CB-CB 4.26Å; E29-V43 HydrophobicContact CB-CG2 3.79Å; E29-V43 WeakPolarHBondContact O-CG2 3.31Å; E29-V43 PolarHBondContact O-N 3.03Å
30Y86.1Confident79.7Confident137 Ų13798.9 Ų98.954%0.53749%0.486SS..EExtended strand (participates in β ladder)trans-106.5128.9176.1-71.6-93.1000110.7V28 V41 P42V28-Y30 HydrophobicContact CB-CE2 3.89Å; V28-Y30 HydrophobicContact CG1-CD2 4.32Å; V28-Y30 HydrophobicContact CG1-CE1 4.47Å; V28-Y30 HydrophobicContact CG1-CE2 3.84Å; V28-Y30 WeakPolarHBondContact O-CD2 3.34Å; V28-Y30 VanDerWaalsContact O-CE2 3.29Å; V28-Y30 WeakPolarHBondContact O-CE2 3.34Å; V28-Y30 PolarHBondContact O-N 2.91Å; Y30-V41 WeakPolarHBondContact CA-O 3.44Å; Y30-P42 HydrophobicContact CD1-CG 4.35Å; Y30-P42 HydrophobicContact CE1-CG 3.96Å
31G86.5Confident80.2Confident12 Ų1295.3 Ų95.312%0.12446%0.464CS..EExtended strand (participates in β ladder)trans-104.4157.9170.600000112V41G31-V41 PolarHBondContact N-O 2.97Å; G31-V41 PolarHBondContact O-N 2.93Å
32R90.5Very high81.2Confident130 Ų13091.7 Ų91.749%0.49145%0.451SS..EExtended strand (participates in β ladder)trans-92.6133.9176.6-164.4-179.5-167.7-1765.4110.6Q37 H39 W40R32-Q37 VanDerWaalsContact CZ-O 3.27Å; R32-Q37 PolarHBondContact NE-O 2.88Å; R32-Q37 PolarHBondContact NH2-O 3.41Å; R32-H39 WeakPolarHBondContact CA-O 3.36Å; R32-W40 HydrophobicContact CB-CZ3 4.46Å
33C92Very high81.9Confident7 Ų787.5 Ų87.55%0.04744%0.436CS..  trans-64.6139.5176.7179.90000112.3Y35 H39 H49 N50C33-Y35 VanDerWaalsContact C-N 3.32Å; C33-Y35 PolarHBondContact O-N 2.92Å; C33-Y35 PolarHBondContact SG-N 2.98Å; C33-Y35 VanDerWaalsContact SG-N 3.37Å; C33-H39 HydrophobicContact CB-CB 3.66Å; C33-H39 PolarHBondContact N-O 3.09Å; C33-H49 PolarHBondContact SG-CD2 3.15Å; C33-H49 PolarHBondContact SG-NE2 3.06Å; C33-H49 VanDerWaalsContact SG-NE2 3.37Å; C33-N50 PolarHBondContact SG-OD1 2.78Å
34S89.9Confident82.8Confident98 Ų9889.4 Ų89.469%0.68544%0.444SS*.SBendtrans-73.3-22.7178.4-49.60000113.4N50S34-N50 PolarHBondContact N-OD1 3.34Å; S34-N50 VanDerWaalsContact N-OD1 3.12Å
35Y87.8Confident83.8Confident98 Ų9885.5 Ų85.538%0.38442%0.424SS..SBendtrans-97.9-21.7-176.3-60.6-81.9000113.8C33 N50 C53 S54 Q57C33-Y35 VanDerWaalsContact C-N 3.32Å; C33-Y35 PolarHBondContact O-N 2.92Å; C33-Y35 PolarHBondContact SG-N 2.98Å; C33-Y35 VanDerWaalsContact SG-N 3.37Å; Y35-N50 HydrophobicContact CD2-CB 4.29Å; Y35-N50 VanDerWaalsContact CD2-O 3.3Å; Y35-N50 WeakPolarHBondContact CD2-O 3.4Å; Y35-N50 HydrophobicContact CE2-CB 3.98Å; Y35-N50 WeakPolarHBondContact CE2-O 3.36Å; Y35-C53 HydrophobicContact CD2-CB 4.45Å; Y35-S54 VanDerWaalsContact CZ-CB 3.49Å; Y35-Q57 PolarHBondContact O-NE2 3.1Å
36S86.2Confident84.8Confident24 Ų2483.2 Ų83.217%0.16841%0.405CS..  trans-139.1114.6-178.7178.20000110.3N38 H39S36-N38 PolarHBondContact O-N 2.91Å; S36-H39 WeakPolarHBondContact CB-CE1 3.44Å; S36-H39 WeakPolarHBondContact CB-ND1 3.4Å; S36-H39 PolarHBondContact O-N 2.9Å; S36-H39 PolarHBondContact OG-CD2 2.69Å; S36-H39 PolarHBondContact OG-CE1 3.49Å; S36-H39 PolarHBondContact OG-NE2 2.78Å
37Q83.7Confident85.8Confident145 Ų14581.9 Ų81.968%0.67841%0.412SS*.THydrogen-bonded Turntrans-60.5-14.6-179.7-75-171.31400114.3R32R32-Q37 VanDerWaalsContact CZ-O 3.27Å; R32-Q37 PolarHBondContact NE-O 2.88Å; R32-Q37 PolarHBondContact NH2-O 3.41Å
38N84.6Confident86.7Confident128 Ų12878.9 Ų78.968%0.68439%0.391SS*.THydrogen-bonded Turntrans-104.5-0.9-175.3-64-4.7000113.5S36S36-N38 PolarHBondContact O-N 2.91Å
39H87.3Confident87.4Confident29 Ų2976.5 Ų76.513%0.13438%0.376CS..  trans-95.8119.1179.6-57.5172.1000110.6R32 C33 S36 V41 H49 C79R32-H39 WeakPolarHBondContact CA-O 3.36Å; C33-H39 HydrophobicContact CB-CB 3.66Å; C33-H39 PolarHBondContact N-O 3.09Å; S36-H39 WeakPolarHBondContact CB-CE1 3.44Å; S36-H39 WeakPolarHBondContact CB-ND1 3.4Å; S36-H39 PolarHBondContact O-N 2.9Å; S36-H39 PolarHBondContact OG-CD2 2.69Å; S36-H39 PolarHBondContact OG-CE1 3.49Å; S36-H39 PolarHBondContact OG-NE2 2.78Å; H39-V41 HydrophobicContact CB-CG2 4.37Å; H39-H49 AromaticContact CG-CE1 3.94Å; H39-H49 AromaticContact CG-NE2 3.68Å; H39-H49 AromaticContact ND1-CE1 3.32Å; H39-H49 PolarHBondContact ND1-CE1 2.99Å; H39-H49 VanDerWaalsContact ND1-CE1 3.32Å; H39-H49 AromaticContact ND1-NE2 3.07Å; H39-H49 PolarHBondContact ND1-NE2 3.04Å; H39-C79 VanDerWaalsContact CE1-SG 3.51Å; H39-C79 PolarHBondContact NE2-SG 2.96Å
40W87.5Confident87.8Confident160 Ų16071.1 Ų71.161%0.60635%0.352SS*.EExtended strand (participates in β ladder)trans-108.7125.1169.6-68.991.2000108.5R32R32-W40 HydrophobicContact CB-CZ3 4.46Å
41V87Confident87.9Confident7 Ų769.4 Ų69.44%0.04235%0.349CS..EExtended strand (participates in β ladder)trans-142.6140.8-168.1-179.10000108.7Y30 G31 H39 V43 S45 L46 H49Y30-V41 WeakPolarHBondContact CA-O 3.44Å; G31-V41 PolarHBondContact N-O 2.97Å; G31-V41 PolarHBondContact O-N 2.93Å; H39-V41 HydrophobicContact CB-CG2 4.37Å; V41-V43 PolarHBondContact O-N 2.92Å; V41-S45 VanDerWaalsContact CG1-OG 3.32Å; V41-S45 WeakPolarHBondContact CG1-OG 3.37Å; V41-L46 HydrophobicContact CB-CD1 4.47Å; V41-H49 HydrophobicContact CB-CB 4.5Å; V41-H49 HydrophobicContact CG1-CB 3.91Å; V41-H49 HydrophobicContact CG2-CB 4.34Å
42P88.4Confident88.1Confident43 Ų4369.5 Ų69.528%0.27935%0.346SS..EExtended strand (participates in β ladder)trans-52133.6176.8-28.336.1000111.7V28 E29 Y30 K44 S45 L46V28-P42 HydrophobicContact CG1-CB 3.67Å; V28-P42 HydrophobicContact CG1-CG 3.8Å; E29-P42 CarbonylContact O-C 3.53Å; E29-P42 VanDerWaalsContact O-CA 3.31Å; E29-P42 WeakPolarHBondContact O-CA 3.46Å; Y30-P42 HydrophobicContact CD1-CG 4.35Å; Y30-P42 HydrophobicContact CE1-CG 3.96Å; P42-K44 PolarHBondContact O-N 3.33Å; P42-K44 VanDerWaalsContact O-N 3.14Å; P42-S45 CarbonylContact O-C 3.47Å; P42-S45 WeakPolarHBondContact O-CA 3.45Å; P42-S45 PolarHBondContact O-N 3.44Å; P42-S45 PolarHBondContact O-OG 2.95Å; P42-L46 PolarHBondContact O-N 3.21Å; P42-L46 VanDerWaalsContact O-N 3.08Å
43V86.6Confident88.2Confident63 Ų6363.9 Ų63.938%0.38233%0.326SS..Hα-helixtrans-53.4-39.7-175.5171.70000111.4E29 V41 S45 L46E29-V43 HydrophobicContact CB-CB 4.26Å; E29-V43 HydrophobicContact CB-CG2 3.79Å; E29-V43 WeakPolarHBondContact O-CG2 3.31Å; E29-V43 PolarHBondContact O-N 3.03Å; V41-V43 PolarHBondContact O-N 2.92Å; V43-S45 PolarHBondContact O-N 3.18Å; V43-L46 WeakPolarHBondContact O-CB 3.37Å; V43-L46 PolarHBondContact O-N 2.96Å
44K85.5Confident88.1Confident175 Ų17564.3 Ų64.376%0.76133%0.329SS*.Hα-helixtrans-54.1-25.9174.4-59.4-178.7-177177.70114Y26 P42Y26-K44 PolarHBondContact OH-NZ 3.3Å; Y26-K44 VanDerWaalsContact OH-NZ 3.16Å; P42-K44 PolarHBondContact O-N 3.33Å; P42-K44 VanDerWaalsContact O-N 3.14Å
45S86.5Confident88.2Confident4 Ų460.1 Ų60.13%0.02830%0.299CS..Hα-helixtrans-114.63.3179.954.90000114.3V41 P42 V43 T47 T48 H49V41-S45 VanDerWaalsContact CG1-OG 3.32Å; V41-S45 WeakPolarHBondContact CG1-OG 3.37Å; P42-S45 CarbonylContact O-C 3.47Å; P42-S45 WeakPolarHBondContact O-CA 3.45Å; P42-S45 PolarHBondContact O-N 3.44Å; P42-S45 PolarHBondContact O-OG 2.95Å; V43-S45 PolarHBondContact O-N 3.18Å; S45-T47 VanDerWaalsContact C-N 3.31Å; S45-T47 PolarHBondContact O-N 2.69Å; S45-T48 PolarHBondContact O-N 3.14Å; S45-T48 PolarHBondContact O-OG1 2.97Å; S45-H49 WeakPolarHBondContact O-CB 3.46Å; S45-H49 PolarHBondContact O-N 3.37Å
46L88.4Confident88.3Confident34 Ų3460 Ų6018%0.17830%0.298CS..Hα-helixtrans-64.3-36.8-175.9-175.565.3000112.1V41 P42 V43 H49 N50V41-L46 HydrophobicContact CB-CD1 4.47Å; P42-L46 PolarHBondContact O-N 3.21Å; P42-L46 VanDerWaalsContact O-N 3.08Å; V43-L46 WeakPolarHBondContact O-CB 3.37Å; V43-L46 PolarHBondContact O-N 2.96Å; L46-H49 PolarHBondContact O-N 3.18Å; L46-N50 VanDerWaalsContact O-CB 3.3Å; L46-N50 WeakPolarHBondContact O-CB 3.46Å; L46-N50 VanDerWaalsContact O-CG 3.28Å; L46-N50 PolarHBondContact O-N 3.4Å; L46-N50 PolarHBondContact O-ND2 3.25Å
47T88.4Confident88.4Confident114 Ų11465.1 Ų65.170%0.69932%0.319SS*.Hα-helixtrans-65.9-46.9178.9-51.30000112.2S45 N50 H51S45-T47 VanDerWaalsContact C-N 3.31Å; S45-T47 PolarHBondContact O-N 2.69Å; T47-N50 PolarHBondContact O-N 2.94Å; T47-H51 PolarHBondContact O-N 3.46Å
48T88.7Confident88.5Confident46 Ų4664 Ų6428%0.28231%0.314SS..Hα-helixtrans-67.6-38.9177.151.20000111S45 H51 Y52S45-T48 PolarHBondContact O-N 3.14Å; S45-T48 PolarHBondContact O-OG1 2.97Å; T48-H51 PolarHBondContact O-N 3.24Å; T48-Y52 WeakPolarHBondContact O-CB 3.37Å; T48-Y52 PolarHBondContact O-N 3.29Å
49H90.8Very high88.7Confident9 Ų960.5 Ų60.54%0.04231%0.308CS..Hα-helixtrans-61.2-44.6172.5179.283.7000113C33 H39 V41 S45 L46 H51 Y52 C53 C75C33-H49 PolarHBondContact SG-CD2 3.15Å; C33-H49 PolarHBondContact SG-NE2 3.06Å; C33-H49 VanDerWaalsContact SG-NE2 3.37Å; H39-H49 AromaticContact CG-CE1 3.94Å; H39-H49 AromaticContact CG-NE2 3.68Å; H39-H49 AromaticContact ND1-CE1 3.32Å; H39-H49 PolarHBondContact ND1-CE1 2.99Å; H39-H49 VanDerWaalsContact ND1-CE1 3.32Å; H39-H49 AromaticContact ND1-NE2 3.07Å; H39-H49 PolarHBondContact ND1-NE2 3.04Å; V41-H49 HydrophobicContact CB-CB 4.5Å; V41-H49 HydrophobicContact CG1-CB 3.91Å; V41-H49 HydrophobicContact CG2-CB 4.34Å; S45-H49 WeakPolarHBondContact O-CB 3.46Å; S45-H49 PolarHBondContact O-N 3.37Å; L46-H49 PolarHBondContact O-N 3.18Å; H49-H51 VanDerWaalsContact C-N 3.31Å; H49-H51 PolarHBondContact O-N 3.37Å; H49-Y52 PolarHBondContact O-N 3.06Å; H49-C53 WeakPolarHBondContact O-CB 3.41Å; H49-C53 PolarHBondContact O-N 2.92Å; H49-C75 WeakPolarHBondContact CA-SG 3.45Å; H49-C75 PolarHBondContact N-SG 2.67Å
50N91.2Very high88.7Confident30 Ų3061 Ų6116%0.1631%0.31CS..Hα-helixtrans-59.7-43.7178.6-84.9-20.4000110.6C33 S34 Y35 L46 T47 C53 S54C33-N50 PolarHBondContact SG-OD1 2.78Å; S34-N50 PolarHBondContact N-OD1 3.34Å; S34-N50 VanDerWaalsContact N-OD1 3.12Å; Y35-N50 HydrophobicContact CD2-CB 4.29Å; Y35-N50 VanDerWaalsContact CD2-O 3.3Å; Y35-N50 WeakPolarHBondContact CD2-O 3.4Å; Y35-N50 HydrophobicContact CE2-CB 3.98Å; Y35-N50 WeakPolarHBondContact CE2-O 3.36Å; L46-N50 VanDerWaalsContact O-CB 3.3Å; L46-N50 WeakPolarHBondContact O-CB 3.46Å; L46-N50 VanDerWaalsContact O-CG 3.28Å; L46-N50 PolarHBondContact O-N 3.4Å; L46-N50 PolarHBondContact O-ND2 3.25Å; T47-N50 PolarHBondContact O-N 2.94Å; N50-C53 PolarHBondContact O-N 2.92Å; N50-S54 WeakPolarHBondContact O-CB 3.39Å; N50-S54 PolarHBondContact O-N 3.09Å
51H89.1Confident88.6Confident101 Ų10155.6 Ų55.647%0.46830%0.299SS..Hα-helixtrans-63.2-46175.1-165-114.7000112.2T47 T48 H49 C53 S54 L55 I69T47-H51 PolarHBondContact O-N 3.46Å; T48-H51 PolarHBondContact O-N 3.24Å; H49-H51 VanDerWaalsContact C-N 3.31Å; H49-H51 PolarHBondContact O-N 3.37Å; H51-C53 PolarHBondContact O-N 2.93Å; H51-S54 PolarHBondContact O-N 3.17Å; H51-L55 PolarHBondContact O-N 3.34Å; H51-I69 HydrophobicContact CB-CD1 4.28Å; H51-I69 WeakPolarHBondContact ND1-CD1 3.39Å; H51-I69 WeakPolarHBondContact ND1-CG1 3.47Å
52Y90.9Very high88.5Confident15 Ų1559.7 Ų59.76%0.05932%0.316CS..Hα-helixtrans-59.8-45.5176.2-171.7-92.6000112.8T48 H49 L55 R56 K62 I65 D66 I69 A72 C75T48-Y52 WeakPolarHBondContact O-CB 3.37Å; T48-Y52 PolarHBondContact O-N 3.29Å; H49-Y52 PolarHBondContact O-N 3.06Å; Y52-L55 PolarHBondContact O-N 2.94Å; Y52-R56 HydrophobicContact CD1-CG 4.45Å; Y52-R56 HydrophobicContact CE1-CG 4.17Å; Y52-R56 PolarHBondContact O-N 3.25Å; Y52-R56 PolarHBondContact OH-NE 3.39Å; Y52-R56 PolarHBondContact OH-NH2 3.47Å; Y52-K62 WeakPolarHBondContact OH-CG 3.48Å; Y52-I65 HydrophobicContact CD2-CB 4.27Å; Y52-I65 HydrophobicContact CD2-CG2 3.24Å; Y52-I65 HydrophobicContact CE2-CB 4.01Å; Y52-I65 HydrophobicContact CE2-CG2 3.46Å; Y52-I65 VanDerWaalsContact CE2-CG2 3.46Å; Y52-I65 HydrophobicContact CG-CG2 4.06Å; Y52-D66 WeakPolarHBondContact CE2-OD1 3.41Å; Y52-I69 HydrophobicContact CD2-CD1 4.39Å; Y52-A72 HydrophobicContact CD2-CB 3.79Å; Y52-A72 HydrophobicContact CE2-CB 4.02Å; Y52-C75 HydrophobicContact CD1-CB 4.48Å; Y52-C75 HydrophobicContact CG-CB 4.46Å
53C91Very high88.4Confident11 Ų1163 Ų637%0.07433%0.328CS..Hα-helixtrans-70.2-35.5-178.8-165.20000111.9Y35 H49 N50 H51 R56 Q57Y35-C53 HydrophobicContact CD2-CB 4.45Å; H49-C53 WeakPolarHBondContact O-CB 3.41Å; H49-C53 PolarHBondContact O-N 2.92Å; N50-C53 PolarHBondContact O-N 2.92Å; H51-C53 PolarHBondContact O-N 2.93Å; C53-R56 PolarHBondContact O-N 2.81Å; C53-Q57 WeakPolarHBondContact O-CB 3.34Å; C53-Q57 PolarHBondContact O-N 2.67Å
54S91.5Very high88.3Confident16 Ų1660.7 Ų60.711%0.11231%0.313CS..Hα-helixtrans-59.7-48172.3-172.70000111.7Y35 N50 H51 R56 Q57 Q58Y35-S54 VanDerWaalsContact CZ-CB 3.49Å; N50-S54 WeakPolarHBondContact O-CB 3.39Å; N50-S54 PolarHBondContact O-N 3.09Å; H51-S54 PolarHBondContact O-N 3.17Å; S54-R56 PolarHBondContact O-N 2.8Å; S54-Q57 PolarHBondContact O-N 3.47Å; S54-Q58 WeakPolarHBondContact O-CG 3.47Å; S54-Q58 PolarHBondContact O-N 3.11Å; S54-Q58 PolarHBondContact O-NE2 2.91Å; S54-Q58 PolarHBondContact OG-NE2 3.4Å; S54-Q58 VanDerWaalsContact OG-NE2 3.16Å
55L90.5Very high88.4Confident11 Ų1152.4 Ų52.46%0.05828%0.277CS..Hα-helixtrans-65.9-38.5178.3-67.1170.4000111.9H51 Y52 Q57 Q58 G59 F60 I65 M68 I69H51-L55 PolarHBondContact O-N 3.34Å; Y52-L55 PolarHBondContact O-N 2.94Å; L55-Q57 PolarHBondContact O-N 3.39Å; L55-Q58 PolarHBondContact O-N 2.87Å; L55-G59 PolarHBondContact O-N 3.36Å; L55-F60 HydrophobicContact CB-CB 4.24Å; L55-F60 HydrophobicContact CB-CD2 4.23Å; L55-F60 HydrophobicContact CB-CG 4.33Å; L55-F60 HydrophobicContact CD2-CD2 3.91Å; L55-F60 HydrophobicContact CD2-CE2 3.84Å; L55-F60 HydrophobicContact CD2-CG 4.31Å; L55-F60 HydrophobicContact CD2-CZ 4.18Å; L55-F60 WeakPolarHBondContact O-CB 3.24Å; L55-F60 WeakPolarHBondContact O-CD2 3.31Å; L55-F60 PolarHBondContact O-N 2.75Å; L55-I65 HydrophobicContact CB-CD1 3.74Å; L55-I65 HydrophobicContact CB-CG1 3.74Å; L55-I65 HydrophobicContact CB-CG2 4.33Å; L55-I65 HydrophobicContact CD1-CG1 4.34Å; L55-I65 HydrophobicContact CD1-CG2 3.89Å; L55-M68 HydrophobicContact CD1-SD 4.45Å; L55-I69 HydrophobicContact CD1-CD1 4.06Å; L55-I69 HydrophobicContact CD1-CG1 4.46Å
56R90.2Very high88.4Confident95 Ų9554.8 Ų54.836%0.35829%0.29SS..Hα-helixtrans-60.4-42.6171.3-78-162.4171.5-143.67.2112.5Y52 C53 S54 Q58 G59 I65Y52-R56 HydrophobicContact CD1-CG 4.45Å; Y52-R56 HydrophobicContact CE1-CG 4.17Å; Y52-R56 PolarHBondContact O-N 3.25Å; Y52-R56 PolarHBondContact OH-NE 3.39Å; Y52-R56 PolarHBondContact OH-NH2 3.47Å; C53-R56 PolarHBondContact O-N 2.81Å; S54-R56 PolarHBondContact O-N 2.8Å; R56-Q58 VanDerWaalsContact C-N 3.28Å; R56-Q58 PolarHBondContact O-N 2.69Å; R56-G59 PolarHBondContact O-N 2.85Å; R56-I65 HydrophobicContact CB-CD1 4.27Å; R56-I65 HydrophobicContact CG-CD1 3.42Å; R56-I65 VanDerWaalsContact CG-CD1 3.42Å
57Q88Confident88.2Confident132 Ų13255.6 Ų55.662%0.61730%0.301SS*.Hα-helixtrans-65.3-32177.5-171175.358.100112.3Y35 C53 S54 L55 G59Y35-Q57 PolarHBondContact O-NE2 3.1Å; C53-Q57 WeakPolarHBondContact O-CB 3.34Å; C53-Q57 PolarHBondContact O-N 2.67Å; S54-Q57 PolarHBondContact O-N 3.47Å; L55-Q57 PolarHBondContact O-N 3.39Å; Q57-G59 PolarHBondContact O-N 3.18Å
58Q87.3Confident87.8Confident121 Ų12153.9 Ų53.957%0.56529%0.286SS*.THydrogen-bonded Turntrans-75.3-4172.6-67.7172.952.700113.9S54 L55 R56 F60S54-Q58 WeakPolarHBondContact O-CG 3.47Å; S54-Q58 PolarHBondContact O-N 3.11Å; S54-Q58 PolarHBondContact O-NE2 2.91Å; S54-Q58 PolarHBondContact OG-NE2 3.4Å; S54-Q58 VanDerWaalsContact OG-NE2 3.16Å; L55-Q58 PolarHBondContact O-N 2.87Å; R56-Q58 VanDerWaalsContact C-N 3.28Å; R56-Q58 PolarHBondContact O-N 2.69Å; Q58-F60 HydrophobicContact CB-CD2 3.85Å; Q58-F60 HydrophobicContact CB-CE2 3.94Å
59G87.7Confident87.5Confident54 Ų5452.5 Ų52.556%0.55728%0.277SS*.THydrogen-bonded Turntrans84.221.9177.300000114.9L55 R56 Q57L55-G59 PolarHBondContact O-N 3.36Å; R56-G59 PolarHBondContact O-N 2.85Å; Q57-G59 PolarHBondContact O-N 3.18Å
60F87.1Confident86.3Confident41 Ų4157.4 Ų57.418%0.1831%0.309CS..  trans-72.3137.7167-70.3-106.9000110L55 Q58 E64 I65 M68L55-F60 HydrophobicContact CB-CB 4.24Å; L55-F60 HydrophobicContact CB-CD2 4.23Å; L55-F60 HydrophobicContact CB-CG 4.33Å; L55-F60 HydrophobicContact CD2-CD2 3.91Å; L55-F60 HydrophobicContact CD2-CE2 3.84Å; L55-F60 HydrophobicContact CD2-CG 4.31Å; L55-F60 HydrophobicContact CD2-CZ 4.18Å; L55-F60 WeakPolarHBondContact O-CB 3.24Å; L55-F60 WeakPolarHBondContact O-CD2 3.31Å; L55-F60 PolarHBondContact O-N 2.75Å; Q58-F60 HydrophobicContact CB-CD2 3.85Å; Q58-F60 HydrophobicContact CB-CE2 3.94Å; F60-E64 WeakPolarHBondContact CA-OE2 3.35Å; F60-E64 HydrophobicContact CD1-CB 4.31Å; F60-I65 HydrophobicContact CB-CD1 3.98Å; F60-I65 HydrophobicContact CB-CG1 3.63Å; F60-M68 HydrophobicContact CD1-SD 4.14Å; F60-M68 HydrophobicContact CE1-SD 3.95Å
61A86.3Confident85Confident46 Ų4661.4 Ų61.438%0.3833%0.331SS..  trans-76.9155.8174.700000111E63 E64 I65A61-E63 PolarHBondContact O-N 3.4Å; A61-E63 VanDerWaalsContact O-N 3.15Å; A61-E64 HydrophobicContact CB-CG 3.95Å; A61-E64 PolarHBondContact N-OE2 2.89Å; A61-E64 WeakPolarHBondContact O-CB 3.11Å; A61-E64 PolarHBondContact O-N 2.83Å; A61-I65 WeakPolarHBondContact O-CG1 3.18Å; A61-I65 PolarHBondContact O-N 3.06Å; A61-I65 VanDerWaalsContact O-N 3.12Å
62K85.2Confident83.6Confident93 Ų9357 Ų5740%0.40431%0.312SS..Hα-helixtrans-51.9-43.2-174.6172.1172.4-169.7-58.70111.7Y52 E64 I65 D66Y52-K62 WeakPolarHBondContact OH-CG 3.48Å; K62-E64 VanDerWaalsContact C-N 3.26Å; K62-E64 PolarHBondContact O-N 3.2Å; K62-I65 PolarHBondContact O-N 2.96Å; K62-D66 WeakPolarHBondContact CG-OD2 3.35Å; K62-D66 IonicContact NZ-OD1 2.76Å; K62-D66 IonicContact NZ-OD2 3.91Å; K62-D66 PolarHBondContact NZ-OD2 3.24Å; K62-D66 WeakPolarHBondContact O-CB 3.33Å; K62-D66 PolarHBondContact O-N 3.36Å
63E85Confident81.9Confident112 Ų11260.5 Ų60.552%0.52334%0.339SS..Hα-helixtrans-70.5-21.4-176.3-5369.4-149.900113.1A61A61-E63 PolarHBondContact O-N 3.4Å; A61-E63 VanDerWaalsContact O-N 3.15Å
64E85.4Confident80.3Confident15 Ų1565.1 Ų65.17%0.0736%0.361CS..Hα-helixtrans-79.9-43.8172.2-35.7-174121.200109.6F60 A61 K62 A67 M68 L121 R125F60-E64 WeakPolarHBondContact CA-OE2 3.35Å; F60-E64 HydrophobicContact CD1-CB 4.31Å; A61-E64 HydrophobicContact CB-CG 3.95Å; A61-E64 PolarHBondContact N-OE2 2.89Å; A61-E64 WeakPolarHBondContact O-CB 3.11Å; A61-E64 PolarHBondContact O-N 2.83Å; K62-E64 VanDerWaalsContact C-N 3.26Å; K62-E64 PolarHBondContact O-N 3.2Å; E64-A67 PolarHBondContact O-N 3.17Å; E64-M68 WeakPolarHBondContact O-CG 3.47Å; E64-M68 PolarHBondContact O-N 2.91Å; E64-M68 VanDerWaalsContact O-N 3.11Å; E64-L121 HydrophobicContact CB-CD1 4.15Å; E64-L121 HydrophobicContact CG-CB 4.4Å; E64-L121 HydrophobicContact CG-CD1 3.9Å; E64-L121 HydrophobicContact CG-CD2 4.08Å; E64-L121 HydrophobicContact CG-CG 4.34Å; E64-L121 WeakPolarHBondContact OE1-CB 3.5Å; E64-R125 IonicContact OE1-CZ 2.65Å; E64-R125 IonicContact OE1-NH2 3.47Å; E64-R125 PolarHBondContact OE1-NH2 3.41Å; E64-R125 IonicContact OE2-CZ 3.75Å; E64-R125 IonicContact OE2-NE 3.94Å; E64-R125 IonicContact OE2-NH2 2.67Å; E64-R125 PolarHBondContact OE2-NH2 2.93Å
65I88.1Confident78.5Confident0 Ų064.8 Ų64.80%036%0.359CS..Hα-helixtrans-67.2-45.9-179.2-56.9172.8000110.8Y52 L55 R56 F60 A61 K62 A67 M68 I69Y52-I65 HydrophobicContact CD2-CB 4.27Å; Y52-I65 HydrophobicContact CD2-CG2 3.24Å; Y52-I65 HydrophobicContact CE2-CB 4.01Å; Y52-I65 HydrophobicContact CE2-CG2 3.46Å; Y52-I65 VanDerWaalsContact CE2-CG2 3.46Å; Y52-I65 HydrophobicContact CG-CG2 4.06Å; L55-I65 HydrophobicContact CB-CD1 3.74Å; L55-I65 HydrophobicContact CB-CG1 3.74Å; L55-I65 HydrophobicContact CB-CG2 4.33Å; L55-I65 HydrophobicContact CD1-CG1 4.34Å; L55-I65 HydrophobicContact CD1-CG2 3.89Å; R56-I65 HydrophobicContact CB-CD1 4.27Å; R56-I65 HydrophobicContact CG-CD1 3.42Å; R56-I65 VanDerWaalsContact CG-CD1 3.42Å; F60-I65 HydrophobicContact CB-CD1 3.98Å; F60-I65 HydrophobicContact CB-CG1 3.63Å; A61-I65 WeakPolarHBondContact O-CG1 3.18Å; A61-I65 PolarHBondContact O-N 3.06Å; A61-I65 VanDerWaalsContact O-N 3.12Å; K62-I65 PolarHBondContact O-N 2.96Å; I65-A67 PolarHBondContact O-N 3.09Å; I65-M68 CarbonylContact O-C 3.58Å; I65-M68 WeakPolarHBondContact O-CA 3.46Å; I65-M68 PolarHBondContact O-N 3.09Å; I65-I69 HydrophobicContact CG2-CD1 3.72Å; I65-I69 HydrophobicContact CG2-CG1 4.3Å; I65-I69 PolarHBondContact O-N 3.43Å
66D85.1Confident76.7Confident55 Ų5569.9 Ų69.929%0.29439%0.391SS..Hα-helixtrans-61.4-25.9176.7-60.8-8.7000111.5Y52 K62 I69Y52-D66 WeakPolarHBondContact CE2-OD1 3.41Å; K62-D66 WeakPolarHBondContact CG-OD2 3.35Å; K62-D66 IonicContact NZ-OD1 2.76Å; K62-D66 IonicContact NZ-OD2 3.91Å; K62-D66 PolarHBondContact NZ-OD2 3.24Å; K62-D66 WeakPolarHBondContact O-CB 3.33Å; K62-D66 PolarHBondContact O-N 3.36Å; D66-I69 CarbonylContact O-C 3.57Å
67A84.2Confident75Confident51 Ų5168.5 Ų68.542%0.42140%0.399SS..Hα-helixtrans-82.8-20.8173.600000113.7E64 I65E64-A67 PolarHBondContact O-N 3.17Å; I65-A67 PolarHBondContact O-N 3.09Å
68M81.5Confident73.2Confident77 Ų7770.5 Ų70.538%0.37941%0.409SS..Hα-helixtrans-91.3-24.2174-67.1177.575.900112.8L55 F60 E64 I65 L118L55-M68 HydrophobicContact CD1-SD 4.45Å; F60-M68 HydrophobicContact CD1-SD 4.14Å; F60-M68 HydrophobicContact CE1-SD 3.95Å; E64-M68 WeakPolarHBondContact O-CG 3.47Å; E64-M68 PolarHBondContact O-N 2.91Å; E64-M68 VanDerWaalsContact O-N 3.11Å; I65-M68 CarbonylContact O-C 3.58Å; I65-M68 WeakPolarHBondContact O-CA 3.46Å; I65-M68 PolarHBondContact O-N 3.09Å; M68-L118 HydrophobicContact CG-CD1 3.65Å; M68-L118 HydrophobicContact CG-CD2 3.86Å; M68-L118 HydrophobicContact CG-CG 4.43Å; M68-L118 HydrophobicContact SD-CD1 3.75Å; M68-L118 HydrophobicContact SD-CD2 4.37Å
69I81.1Confident71.3Confident18 Ų1866.9 Ų66.99%0.09240%0.396CS..  trans-13089-178.9-46.6172.7000108.2H51 Y52 L55 I65 D66 D71 A72H51-I69 HydrophobicContact CB-CD1 4.28Å; H51-I69 WeakPolarHBondContact ND1-CD1 3.39Å; H51-I69 WeakPolarHBondContact ND1-CG1 3.47Å; Y52-I69 HydrophobicContact CD2-CD1 4.39Å; L55-I69 HydrophobicContact CD1-CD1 4.06Å; L55-I69 HydrophobicContact CD1-CG1 4.46Å; I65-I69 HydrophobicContact CG2-CD1 3.72Å; I65-I69 HydrophobicContact CG2-CG1 4.3Å; I65-I69 PolarHBondContact O-N 3.43Å; D66-I69 CarbonylContact O-C 3.57Å; I69-D71 PolarHBondContact O-N 2.96Å; I69-A72 HydrophobicContact CB-CB 4.08Å; I69-A72 HydrophobicContact CG2-CB 4.02Å; I69-A72 VanDerWaalsContact O-CB 3.29Å; I69-A72 WeakPolarHBondContact O-CB 3.49Å; I69-A72 PolarHBondContact O-N 3.36Å; I69-A72 VanDerWaalsContact O-N 3.16Å
70P66.4Low69.4Low111 Ų11168.8 Ų68.872%0.72140%0.397SS*.THydrogen-bonded Turntrans-56.4-35.5-178.3-26.935.8000113.6A72P70-A72 VanDerWaalsContact C-N 3.3Å; P70-A72 PolarHBondContact O-N 2.88Å
71D63.7Low67.5Low115 Ų11572.6 Ų72.662%0.61542%0.416SS*.THydrogen-bonded Turntrans-89.217.2-176.8-56.6-32.5000113.9I69 S73I69-D71 PolarHBondContact O-N 2.96Å; D71-S73 PolarHBondContact O-N 3.45Å; D71-S73 VanDerWaalsContact O-N 3.07Å
72A59Low65.3Low8 Ų875.8 Ų75.87%0.06643%0.432CS..G310 helixtrans-66.8-4.9178.700000114.5Y52 I69 P70 I74 C75Y52-A72 HydrophobicContact CD2-CB 3.79Å; Y52-A72 HydrophobicContact CE2-CB 4.02Å; I69-A72 HydrophobicContact CB-CB 4.08Å; I69-A72 HydrophobicContact CG2-CB 4.02Å; I69-A72 VanDerWaalsContact O-CB 3.29Å; I69-A72 WeakPolarHBondContact O-CB 3.49Å; I69-A72 PolarHBondContact O-N 3.36Å; I69-A72 VanDerWaalsContact O-N 3.16Å; P70-A72 VanDerWaalsContact C-N 3.3Å; P70-A72 PolarHBondContact O-N 2.88Å; A72-I74 PolarHBondContact O-N 3.23Å; A72-I74 VanDerWaalsContact O-N 3.1Å; A72-C75 WeakPolarHBondContact O-CB 3.49Å; A72-C75 PolarHBondContact O-N 3.17Å
73S56.7Low63.3Low89 Ų8977.6 Ų77.662%0.62245%0.452SS*.G310 helixtrans-55.7-25.317858.80000114D71 C75D71-S73 PolarHBondContact O-N 3.45Å; D71-S73 VanDerWaalsContact O-N 3.07Å; S73-C75 PolarHBondContact O-N 3.35Å
74I56.5Low61.1Low108 Ų10877.2 Ų77.255%0.55446%0.461SS*.G310 helixtrans-72.1-16.4178.1-46.9172.2000111.9A72A72-I74 PolarHBondContact O-N 3.23Å; A72-I74 VanDerWaalsContact O-N 3.1Å
75C52.9Low59.1Low9 Ų982.1 Ų82.16%0.06149%0.488CS..G310 helixtrans-99.424.7-173-690000114.7H49 Y52 A72 S73 A77H49-C75 WeakPolarHBondContact CA-SG 3.45Å; H49-C75 PolarHBondContact N-SG 2.67Å; Y52-C75 HydrophobicContact CD1-CB 4.48Å; Y52-C75 HydrophobicContact CG-CB 4.46Å; A72-C75 WeakPolarHBondContact O-CB 3.49Å; A72-C75 PolarHBondContact O-N 3.17Å; S73-C75 PolarHBondContact O-N 3.35Å; C75-A77 PolarHBondContact O-N 3.1Å
76T53.7Low56.9Low118 Ų11893.7 Ų93.772%0.72453%0.532SS*.  trans-75.737.917559.30000113.7E78T76-E78 PolarHBondContact O-N 2.91Å
77A54.5Low55.4Low65 Ų6596.7 Ų96.754%0.53755%0.552SS.*  trans-76.3103.7155.400000106.6C75 C79C75-A77 PolarHBondContact O-N 3.1Å; A77-C79 PolarHBondContact O-N 3.33Å
78E49.4Very low53.9Low175 Ų175102 Ų10282%0.81857%0.574SS**  trans-61.6100.3-173.9-140.5-176.2-171.200109.9T76 T80T76-E78 PolarHBondContact O-N 2.91Å; E78-T80 VanDerWaalsContact CG-OG1 3.28Å; E78-T80 WeakPolarHBondContact CG-OG1 3.43Å; E78-T80 PolarHBondContact O-N 3.27Å; E78-T80 PolarHBondContact OE2-OG1 3.35Å
79C48.1Very low52.4Low45 Ų45102.7 Ų102.730%0.30458%0.579SS.*  trans-73.963.3172.9-173.20000109H39 A77 Q81H39-C79 VanDerWaalsContact CE1-SG 3.51Å; H39-C79 PolarHBondContact NE2-SG 2.96Å; A77-C79 PolarHBondContact O-N 3.33Å; C79-Q81 PolarHBondContact O-N 2.77Å
80T47.6Very low51.4Low94 Ų94106.3 Ų106.358%0.57760%0.603SS**  trans-78.370.8177.8-53.70000108E78E78-T80 VanDerWaalsContact CG-OG1 3.28Å; E78-T80 WeakPolarHBondContact CG-OG1 3.43Å; E78-T80 PolarHBondContact O-N 3.27Å; E78-T80 PolarHBondContact OE2-OG1 3.35Å
81Q46.1Very low51Low121 Ų121105.5 Ų105.557%0.56560%0.6SS**  trans-51.6128.2154.1-72-68.9-32.800107C79 T83C79-Q81 PolarHBondContact O-N 2.77Å; Q81-T83 PolarHBondContact O-N 2.99Å
82P40.9Very low50.6Low112 Ų112109.2 Ų109.273%0.72761%0.606SS**  trans-70.485-176.828.3-34.3000109.7S84P82-S84 PolarHBondContact O-N 3.11Å
83T42.6Very low50.3Low132 Ų132115.1 Ų115.181%0.8164%0.635SS**  trans-72.580.2165.747.40000107.9Q81 D85Q81-T83 PolarHBondContact O-N 2.99Å; T83-D85 VanDerWaalsContact C-N 3.29Å; T83-D85 PolarHBondContact O-N 2.9Å
84S38.8Very low50.2Low104 Ų104117.3 Ų117.373%0.72764%0.637SS**  trans-62.196158.856.60000107.7P82P82-S84 PolarHBondContact O-N 3.11Å
85D43.8Very low50.2Low117 Ų117117.1 Ų117.163%0.62664%0.637SS**SBendtrans-176.7107.9150.6-89.2-20.2000113.8T83 T87T83-D85 VanDerWaalsContact C-N 3.29Å; T83-D85 PolarHBondContact O-N 2.9Å; D85-T87 PolarHBondContact O-N 2.95Å
86W43.2Very low50.4Low244 Ų244123.5 Ų123.592%0.92467%0.667SS**  trans51.96134.8-58.3101.1000124.5N88W86-N88 PolarHBondContact O-N 3.25Å
87T52.8Low50.6Low117 Ų117125.4 Ų125.472%0.71867%0.668SS**  trans-87.73-168.6480000118.1D85D85-T87 PolarHBondContact O-N 2.95Å
88N53.4Low50.7Low164 Ų164126.1 Ų126.188%0.87767%0.674SS**  trans-102.426.5-171.1-130.3-8.8000115.7W86W86-N88 PolarHBondContact O-N 3.25Å
89D48.3Very low50.9Low91 Ų91123.7 Ų123.749%0.48766%0.661SS.*  trans-98.8118.8163.2179.45.3000109.1S91 W92D89-S91 PolarHBondContact O-N 3.39Å; D89-S91 VanDerWaalsContact OD1-CB 3.23Å; D89-S91 WeakPolarHBondContact OD1-CB 3.33Å; D89-S91 PolarHBondContact OD1-N 3.47Å; D89-S91 PolarHBondContact OD1-OG 3.32Å; D89-S91 WeakPolarHBondContact OD2-CB 3.46Å; D89-S91 PolarHBondContact OD2-OG 3.47Å; D89-W92 PolarHBondContact O-NE1 3.21Å
90P60.9Low51.1Low93 Ų93126.3 Ų126.360%0.60468%0.68SS**G310 helixtrans-70.3-6.7176.2-19.233000115W92 I93P90-W92 PolarHBondContact O-N 3.43Å; P90-W92 VanDerWaalsContact O-N 3.1Å; P90-I93 HydrophobicContact CB-CD1 4.26Å; P90-I93 WeakPolarHBondContact O-CB 3.36Å; P90-I93 WeakPolarHBondContact O-CG1 3.21Å; P90-I93 PolarHBondContact O-N 2.88Å
91S57.6Low51.2Low95 Ų95128.2 Ų128.266%0.66469%0.692SS**G310 helixtrans-63.5-18.6-169.973.40000115.7D89D89-S91 PolarHBondContact O-N 3.39Å; D89-S91 VanDerWaalsContact OD1-CB 3.23Å; D89-S91 WeakPolarHBondContact OD1-CB 3.33Å; D89-S91 PolarHBondContact OD1-N 3.47Å; D89-S91 PolarHBondContact OD1-OG 3.32Å; D89-S91 WeakPolarHBondContact OD2-CB 3.46Å; D89-S91 PolarHBondContact OD2-OG 3.47Å
92W56.4Low51.3Low193 Ų193129.5 Ų129.573%0.73170%0.702SS**G310 helixtrans-91.86.6176.574.2-65.6000114.3D89 P90 M94D89-W92 PolarHBondContact O-NE1 3.21Å; P90-W92 PolarHBondContact O-N 3.43Å; P90-W92 VanDerWaalsContact O-N 3.1Å; W92-M94 PolarHBondContact O-N 2.65Å
93I52.1Low51.7Low131 Ų131133.1 Ų133.167%0.67271%0.707SS**  trans-70.672165.5-57175.7000108.1P90 N95P90-I93 HydrophobicContact CB-CD1 4.26Å; P90-I93 WeakPolarHBondContact O-CB 3.36Å; P90-I93 WeakPolarHBondContact O-CG1 3.21Å; P90-I93 PolarHBondContact O-N 2.88Å; I93-N95 PolarHBondContact O-N 2.85Å; I93-N95 VanDerWaalsContact O-N 3.15Å
94M55.6Low52Low136 Ų136131.9 Ų131.967%0.6770%0.703SS**  trans-60.4114.2163.7-87.4-174.4133.100107.2W92 M96 F99W92-M94 PolarHBondContact O-N 2.65Å; M94-M96 PolarHBondContact O-N 3.15Å; M94-F99 HydrophobicContact CB-CE2 4.47Å; M94-F99 HydrophobicContact CE-CE2 4.47Å; M94-F99 HydrophobicContact CE-CZ 4.1Å; M94-F99 HydrophobicContact SD-CE2 4.04Å; M94-F99 HydrophobicContact SD-CZ 4.05Å
95N55.2Low52.3Low103 Ų103135.1 Ų135.155%0.55171%0.706SS**  trans-52.9110.3177.2-174.2-6.9000109.8I93 Q97 A98I93-N95 PolarHBondContact O-N 2.85Å; I93-N95 VanDerWaalsContact O-N 3.15Å; N95-Q97 PolarHBondContact O-N 3.17Å; N95-Q97 PolarHBondContact OD1-N 3.12Å; N95-A98 VanDerWaalsContact O-CB 3.31Å; N95-A98 WeakPolarHBondContact O-CB 3.42Å; N95-A98 PolarHBondContact O-N 3.04Å
96M58.2Low52.3Low143 Ų143141.7 Ų141.770%0.70472%0.723SS**G310 helixtrans-58.5-25.1-173.5-82.3-96.262.900113M94 A98 F99M94-M96 PolarHBondContact O-N 3.15Å; M96-A98 PolarHBondContact O-N 3.37Å; M96-F99 HydrophobicContact CE-CD2 4.16Å; M96-F99 PolarHBondContact O-N 3.03Å
97Q57.7Low52.3Low159 Ų159134.6 Ų134.674%0.74371%0.71SS**G310 helixtrans-63-20.3174.8-113.4156.7-22.400113.8N95 F99N95-Q97 PolarHBondContact O-N 3.17Å; N95-Q97 PolarHBondContact OD1-N 3.12Å; Q97-F99 VanDerWaalsContact C-N 3.26Å; Q97-F99 PolarHBondContact O-N 3.26Å
98A55.3Low52Low80 Ų80134 Ų13466%0.66171%0.71SS**G310 helixtrans-75.2-8.3-179.500000114.6N95 M96N95-A98 VanDerWaalsContact O-CB 3.31Å; N95-A98 WeakPolarHBondContact O-CB 3.42Å; N95-A98 PolarHBondContact O-N 3.04Å; M96-A98 PolarHBondContact O-N 3.37Å
99F55.1Low51.5Low124 Ų124133 Ų13354%0.54471%0.705SS.*G310 helixtrans-105.91.2-179.8-70.9-75.6000114.6M94 M96 Q97 T101M94-F99 HydrophobicContact CB-CE2 4.47Å; M94-F99 HydrophobicContact CE-CE2 4.47Å; M94-F99 HydrophobicContact CE-CZ 4.1Å; M94-F99 HydrophobicContact SD-CE2 4.04Å; M94-F99 HydrophobicContact SD-CZ 4.05Å; M96-F99 HydrophobicContact CE-CD2 4.16Å; M96-F99 PolarHBondContact O-N 3.03Å; Q97-F99 VanDerWaalsContact C-N 3.26Å; Q97-F99 PolarHBondContact O-N 3.26Å; F99-T101 PolarHBondContact O-N 3.36Å
100S52.5Low51.2Low99 Ų99135.6 Ų135.669%0.69272%0.719SS**  trans-76.275171.7-71.10000111D102S100-D102 PolarHBondContact O-N 3.16Å
101T49.2Very low50.3Low135 Ų135136.3 Ų136.383%0.82873%0.726SS**  trans-73.878.2163.656.20000109.2F99 K103F99-T101 PolarHBondContact O-N 3.36Å; T101-K103 PolarHBondContact O-N 3.2Å; T101-K103 VanDerWaalsContact O-N 3.16Å
102D47.3Very low49.8Very low148 Ų148137.4 Ų137.479%0.79173%0.734SS**  trans-67.7109.1172-172.5-6.4000109.8S100S100-D102 PolarHBondContact O-N 3.16Å
103K50.7Low49.4Very low188 Ų188136.3 Ų136.382%0.81774%0.737SS**  trans-167.4131.9145.3-108.7158.7-173.3175.70112.5T101T101-K103 PolarHBondContact O-N 3.2Å; T101-K103 VanDerWaalsContact O-N 3.16Å
104S48.7Very low49.5Very low105 Ų105137.7 Ų137.773%0.73475%0.746SS**  trans81.4107.116272.90000119.1
105H44.6Very low49.9Very low172 Ų172134.6 Ų134.680%0.79674%0.735SS**  trans46.6104.8133.9-77.8-90.9000119.7
106R43.1Very low51.1Low256 Ų256133 Ų13397%0.96673%0.732SS**  -147.3106.4118.3-120.5168.7176.9-106.6-2.6111.5
107S43.9Very low52.4Low95 Ų95132.7 Ų132.766%0.66473%0.726SS**  trans-68162.3177.2-46.30000112.4
108S46Very low53.4Low103 Ų103128 Ų12872%0.7271%0.706SS**  trans110.893.2155.8-56.80000117
109N43.5Very low54.7Low144 Ų144129.1 Ų129.177%0.7770%0.697SS**  trans59.396.1133.9-51.3-6.5000118.5
110N42Very low56.1Low145 Ų145126.2 Ų126.278%0.77569%0.69SS**  -175.8140.6107.7-89.6-17.6000112.5S112N110-S112 PolarHBondContact O-N 2.81Å
111S41.6Very low57.6Low108 Ų108123.2 Ų123.276%0.75567%0.666SS**  trans24.787.3159.258.10000117.6
112S46.5Very low59.3Low119 Ų119119.4 Ų119.483%0.83265%0.645SS**  trans-100.631.5172.1-52.80000113.2N110N110-S112 PolarHBondContact O-N 2.81Å
113Q48.3Very low61.1Low170 Ų170117.7 Ų117.779%0.79463%0.634SS**SBendtrans-127.4144.2171.4-71.4-178-39.900108.6
114D53.7Low62.8Low160 Ų160113.7 Ų113.786%0.85662%0.619SS**  trans72.328.2174.6-51.4-18.7000118.9S116D114-S116 PolarHBondContact O-N 3.24Å
115V64.8Low64.5Low71 Ų71111.4 Ų111.443%0.4359%0.594SS.*  trans-69.2111.6158.7-153.70000108.4E119 V120 M123V115-E119 HydrophobicContact CG1-CB 4.14Å; V115-E119 HydrophobicContact CG1-CG 3.83Å; V115-E119 WeakPolarHBondContact CG1-OE2 3.43Å; V115-V120 HydrophobicContact CB-CG2 4.22Å; V115-V120 HydrophobicContact CG1-CG2 4Å; V115-M123 HydrophobicContact CG1-SD 4.26Å
116S81.6Confident66.4Low70 Ų70106 Ų10649%0.4957%0.571SS.*  trans-63.1148.5-174.2176.30000111.7D114 L118 E119 V120D114-S116 PolarHBondContact O-N 3.24Å; S116-L118 PolarHBondContact O-N 3.47Å; S116-L118 VanDerWaalsContact O-N 3.11Å; S116-E119 PolarHBondContact N-OE2 3Å; S116-E119 WeakPolarHBondContact O-CA 3.49Å; S116-E119 WeakPolarHBondContact O-CB 3.31Å; S116-E119 PolarHBondContact O-N 3.16Å; S116-V120 PolarHBondContact O-N 3.35Å
117K83.6Confident68.2Low135 Ų13595.6 Ų95.659%0.58754%0.54SS*.Hα-helixtrans-50.3-40.5174.7-178.5-173.9173.2-166.10111.4L121K117-L121 HydrophobicContact CG-CD1 4.08Å; K117-L121 WeakPolarHBondContact O-CB 3.5Å; K117-L121 WeakPolarHBondContact O-CD1 3.39Å; K117-L121 WeakPolarHBondContact O-CG 3.16Å; K117-L121 PolarHBondContact O-N 2.94Å; K117-L121 VanDerWaalsContact O-N 3.09Å
118L79Confident70Confident62 Ų6297.9 Ų97.933%0.32554%0.538SS..Hα-helixtrans-67.8-34.1178.1-175.561.7000112.7M68 S116 S122M68-L118 HydrophobicContact CG-CD1 3.65Å; M68-L118 HydrophobicContact CG-CD2 3.86Å; M68-L118 HydrophobicContact CG-CG 4.43Å; M68-L118 HydrophobicContact SD-CD1 3.75Å; M68-L118 HydrophobicContact SD-CD2 4.37Å; S116-L118 PolarHBondContact O-N 3.47Å; S116-L118 VanDerWaalsContact O-N 3.11Å; L118-S122 WeakPolarHBondContact O-CB 3.37Å; L118-S122 PolarHBondContact O-N 3.1Å
119E82.7Confident71.6Confident102 Ų102102.1 Ų102.148%0.47754%0.538SS..Hα-helixtrans-71.6-44.9177-175177.8-168.500111.2V115 S116 L121 S122 M123V115-E119 HydrophobicContact CG1-CB 4.14Å; V115-E119 HydrophobicContact CG1-CG 3.83Å; V115-E119 WeakPolarHBondContact CG1-OE2 3.43Å; S116-E119 PolarHBondContact N-OE2 3Å; S116-E119 WeakPolarHBondContact O-CA 3.49Å; S116-E119 WeakPolarHBondContact O-CB 3.31Å; S116-E119 PolarHBondContact O-N 3.16Å; E119-L121 VanDerWaalsContact C-N 3.29Å; E119-L121 PolarHBondContact O-N 3.42Å; E119-S122 CarbonylContact O-C 3.54Å; E119-S122 WeakPolarHBondContact O-CA 3.39Å; E119-S122 WeakPolarHBondContact O-CB 3.23Å; E119-S122 PolarHBondContact O-N 3.07Å; E119-S122 VanDerWaalsContact O-N 3.09Å; E119-M123 WeakPolarHBondContact O-CG 3.46Å; E119-M123 PolarHBondContact O-N 2.96Å
120V84.5Confident73.2Confident64 Ų64100.7 Ų100.739%0.38852%0.522SS..Hα-helixtrans-55.9-45.5172.5176.40000110.8V115 S116 M123 M124V115-V120 HydrophobicContact CB-CG2 4.22Å; V115-V120 HydrophobicContact CG1-CG2 4Å; S116-V120 PolarHBondContact O-N 3.35Å; V120-M123 PolarHBondContact O-N 2.91Å; V120-M124 HydrophobicContact CG1-SD 4.38Å; V120-M124 VanDerWaalsContact O-CG 3.31Å; V120-M124 WeakPolarHBondContact O-CG 3.44Å; V120-M124 PolarHBondContact O-N 3.33Å
121L85Confident74.4Confident35 Ų35102.7 Ų102.718%0.18352%0.519CS..Hα-helixtrans-61.9-42.9175.4-75.4167.1000112.2E64 K117 E119 M124 R125E64-L121 HydrophobicContact CB-CD1 4.15Å; E64-L121 HydrophobicContact CG-CB 4.4Å; E64-L121 HydrophobicContact CG-CD1 3.9Å; E64-L121 HydrophobicContact CG-CD2 4.08Å; E64-L121 HydrophobicContact CG-CG 4.34Å; E64-L121 WeakPolarHBondContact OE1-CB 3.5Å; K117-L121 HydrophobicContact CG-CD1 4.08Å; K117-L121 WeakPolarHBondContact O-CB 3.5Å; K117-L121 WeakPolarHBondContact O-CD1 3.39Å; K117-L121 WeakPolarHBondContact O-CG 3.16Å; K117-L121 PolarHBondContact O-N 2.94Å; K117-L121 VanDerWaalsContact O-N 3.09Å; E119-L121 VanDerWaalsContact C-N 3.29Å; E119-L121 PolarHBondContact O-N 3.42Å; L121-M124 PolarHBondContact O-N 3.49Å; L121-R125 PolarHBondContact O-N 3.26Å
122S85.2Confident75.3Confident56 Ų56103.6 Ų103.639%0.39251%0.511SS..Hα-helixtrans-60.5-47173.6-162.10000112.3L118 E119 M124 R125 D126L118-S122 WeakPolarHBondContact O-CB 3.37Å; L118-S122 PolarHBondContact O-N 3.1Å; E119-S122 CarbonylContact O-C 3.54Å; E119-S122 WeakPolarHBondContact O-CA 3.39Å; E119-S122 WeakPolarHBondContact O-CB 3.23Å; E119-S122 PolarHBondContact O-N 3.07Å; E119-S122 VanDerWaalsContact O-N 3.09Å; S122-M124 VanDerWaalsContact C-N 3.31Å; S122-M124 PolarHBondContact O-N 3.4Å; S122-R125 WeakPolarHBondContact O-CB 3.48Å; S122-R125 PolarHBondContact O-N 3.18Å; S122-D126 VanDerWaalsContact O-CB 3.31Å; S122-D126 WeakPolarHBondContact O-CB 3.37Å; S122-D126 PolarHBondContact O-N 2.76Å
123M84.9Confident76.3Confident112 Ų112101.8 Ų101.855%0.55250%0.498SS*.Hα-helixtrans-59.2-40174.3-69.317374.200111.8V115 E119 V120 A127V115-M123 HydrophobicContact CG1-SD 4.26Å; E119-M123 WeakPolarHBondContact O-CG 3.46Å; E119-M123 PolarHBondContact O-N 2.96Å; V120-M123 PolarHBondContact O-N 2.91Å; M123-A127 WeakPolarHBondContact O-CB 3.45Å; M123-A127 PolarHBondContact O-N 3.05Å
124M85.6Confident76.8Confident104 Ų10499.4 Ų99.451%0.51248%0.483SS..Hα-helixtrans-65.5-40.6175.7-72.7177.974.500112.2V120 L121 S122 K128V120-M124 HydrophobicContact CG1-SD 4.38Å; V120-M124 VanDerWaalsContact O-CG 3.31Å; V120-M124 WeakPolarHBondContact O-CG 3.44Å; V120-M124 PolarHBondContact O-N 3.33Å; L121-M124 PolarHBondContact O-N 3.49Å; S122-M124 VanDerWaalsContact C-N 3.31Å; S122-M124 PolarHBondContact O-N 3.4Å; M124-K128 WeakPolarHBondContact O-CG 3.5Å; M124-K128 PolarHBondContact O-N 3.42Å
125R84.4Confident77.1Confident56 Ų56101.5 Ų101.521%0.21148%0.479CS..Hα-helixtrans-65.5-45.3176-166.9-172.3-51.8104.58.9111.5E64 L121 S122 K128 R129E64-R125 IonicContact OE1-CZ 2.65Å; E64-R125 IonicContact OE1-NH2 3.47Å; E64-R125 PolarHBondContact OE1-NH2 3.41Å; E64-R125 IonicContact OE2-CZ 3.75Å; E64-R125 IonicContact OE2-NE 3.94Å; E64-R125 IonicContact OE2-NH2 2.67Å; E64-R125 PolarHBondContact OE2-NH2 2.93Å; L121-R125 PolarHBondContact O-N 3.26Å; S122-R125 WeakPolarHBondContact O-CB 3.48Å; S122-R125 PolarHBondContact O-N 3.18Å; R125-K128 WeakPolarHBondContact O-CB 3.29Å; R125-K128 PolarHBondContact O-N 3.47Å; R125-R129 PolarHBondContact O-N 2.93Å
126D85.1Confident76.9Confident58 Ų58101.1 Ų101.131%0.3149%0.49SS..Hα-helixtrans-65.2-42.2177.3178.934.1000111.6S122 K128 R129 R130S122-D126 VanDerWaalsContact O-CB 3.31Å; S122-D126 WeakPolarHBondContact O-CB 3.37Å; S122-D126 PolarHBondContact O-N 2.76Å; D126-K128 PolarHBondContact O-N 3.21Å; D126-R129 WeakPolarHBondContact O-CB 3.44Å; D126-R129 PolarHBondContact O-N 3.48Å; D126-R130 WeakPolarHBondContact O-CB 3.39Å; D126-R130 WeakPolarHBondContact O-CG 3.34Å; D126-R130 PolarHBondContact O-N 3.25Å; D126-R130 IonicContact OD1-CZ 3.8Å; D126-R130 IonicContact OD1-NE 3.47Å; D126-R130 IonicContact OD1-NH1 2.69Å; D126-R130 PolarHBondContact OD1-NH1 3.18Å; D126-R130 IonicContact OD1-NH2 2.99Å; D126-R130 PolarHBondContact OD1-NH2 2.73Å; D126-R130 IonicContact OD2-CZ 4Å; D126-R130 IonicContact OD2-NH1 3.43Å; D126-R130 PolarHBondContact OD2-NH1 2.9Å; D126-R130 IonicContact OD2-NH2 3.04Å; D126-R130 PolarHBondContact OD2-NH2 3.5Å
127A80.9Confident76Confident38 Ų38102.7 Ų102.731%0.31449%0.491SS..Hα-helixtrans-61.2-39.5170.500000112.7M123 R131M123-A127 WeakPolarHBondContact O-CB 3.45Å; M123-A127 PolarHBondContact O-N 3.05Å; A127-R131 WeakPolarHBondContact O-CB 3.13Å; A127-R131 VanDerWaalsContact O-CG 3.24Å; A127-R131 WeakPolarHBondContact O-CG 3.47Å; A127-R131 PolarHBondContact O-N 3.49Å
128K82.4Confident74.8Confident143 Ų143102.1 Ų102.162%0.62249%0.49SS*.Hα-helixtrans-64.3-41.5172.7-75.8173-176.9175.70111.8M124 R125 D126 R131M124-K128 WeakPolarHBondContact O-CG 3.5Å; M124-K128 PolarHBondContact O-N 3.42Å; R125-K128 WeakPolarHBondContact O-CB 3.29Å; R125-K128 PolarHBondContact O-N 3.47Å; D126-K128 PolarHBondContact O-N 3.21Å; K128-R131 PolarHBondContact O-N 2.85Å
129R79.3Confident73.9Confident192 Ų192105.8 Ų105.873%0.72552%0.516SS*.Hα-helixtrans-62-49.8175.5-171.4-176.5-72.1-1153.5110.8R125 D126 R131 Q132R125-R129 PolarHBondContact O-N 2.93Å; D126-R129 WeakPolarHBondContact O-CB 3.44Å; D126-R129 PolarHBondContact O-N 3.48Å; R129-R131 VanDerWaalsContact C-N 3.34Å; R129-R131 PolarHBondContact O-N 2.77Å; R129-Q132 PolarHBondContact O-N 2.9Å
130R76.3Confident73.1Confident115 Ų115104.2 Ų104.243%0.43452%0.52SS..Hα-helixtrans-59.7-37174.5-73.5-159.8-162.886.85.5113.3D126 Q132 S133 Y134D126-R130 WeakPolarHBondContact O-CB 3.39Å; D126-R130 WeakPolarHBondContact O-CG 3.34Å; D126-R130 PolarHBondContact O-N 3.25Å; D126-R130 IonicContact OD1-CZ 3.8Å; D126-R130 IonicContact OD1-NE 3.47Å; D126-R130 IonicContact OD1-NH1 2.69Å; D126-R130 PolarHBondContact OD1-NH1 3.18Å; D126-R130 IonicContact OD1-NH2 2.99Å; D126-R130 PolarHBondContact OD1-NH2 2.73Å; D126-R130 IonicContact OD2-CZ 4Å; D126-R130 IonicContact OD2-NH1 3.43Å; D126-R130 PolarHBondContact OD2-NH1 2.9Å; D126-R130 IonicContact OD2-NH2 3.04Å; D126-R130 PolarHBondContact OD2-NH2 3.5Å; R130-Q132 PolarHBondContact O-N 2.96Å; R130-Q132 VanDerWaalsContact O-N 3.17Å; R130-S133 PolarHBondContact O-N 3.37Å; R130-S133 VanDerWaalsContact O-N 3.09Å; R130-S133 PolarHBondContact O-OG 2.91Å; R130-Y134 HydrophobicContact CB-CD2 3.96Å; R130-Y134 HydrophobicContact CB-CE2 3.81Å; R130-Y134 HydrophobicContact CG-CE2 4.24Å; R130-Y134 WeakPolarHBondContact O-CD2 3.49Å; R130-Y134 PolarHBondContact O-N 3.3Å
131R67.2Low72.5Confident186 Ų186113 Ų11370%0.70255%0.546SS*.Hα-helixtrans-60.7-24177.1-80.4171.9-170.6-86.13.5113.5A127 K128 R129 R135A127-R131 WeakPolarHBondContact O-CB 3.13Å; A127-R131 VanDerWaalsContact O-CG 3.24Å; A127-R131 WeakPolarHBondContact O-CG 3.47Å; A127-R131 PolarHBondContact O-N 3.49Å; K128-R131 PolarHBondContact O-N 2.85Å; R129-R131 VanDerWaalsContact C-N 3.34Å; R129-R131 PolarHBondContact O-N 2.77Å; R131-R135 PolarHBondContact O-N 3.18Å
132Q61.6Low72.2Confident128 Ų128116 Ų11660%0.59856%0.558SS**Hα-helixtrans-78.5-38173-60.4-64.4-2.800112.2R129 R130 R135R129-Q132 PolarHBondContact O-N 2.9Å; R130-Q132 PolarHBondContact O-N 2.96Å; R130-Q132 VanDerWaalsContact O-N 3.17Å; Q132-R135 WeakPolarHBondContact O-CB 3.39Å; Q132-R135 PolarHBondContact O-N 2.98Å
133S66Low72.3Confident81 Ų81115.8 Ų115.857%0.56656%0.557SS**Hα-helixtrans-71-35.6174.958.80000112.7R130 R135R130-S133 PolarHBondContact O-N 3.37Å; R130-S133 VanDerWaalsContact O-N 3.09Å; R130-S133 PolarHBondContact O-OG 2.91Å; S133-R135 PolarHBondContact O-N 3.35Å
134Y59.1Low72.5Confident120 Ų120119 Ų11947%0.47156%0.564SS.*G310 helixtrans-78.92.1175.3-64.8-60.6000114.4R130 G136 I137R130-Y134 HydrophobicContact CB-CD2 3.96Å; R130-Y134 HydrophobicContact CB-CE2 3.81Å; R130-Y134 HydrophobicContact CG-CE2 4.24Å; R130-Y134 WeakPolarHBondContact O-CD2 3.49Å; R130-Y134 PolarHBondContact O-N 3.3Å; Y134-G136 PolarHBondContact O-N 3.34Å; Y134-I137 HydrophobicContact CD1-CB 4.16Å; Y134-I137 HydrophobicContact CD1-CD1 3.66Å; Y134-I137 HydrophobicContact CD1-CG1 4.45Å; Y134-I137 HydrophobicContact CD1-CG2 4.37Å; Y134-I137 HydrophobicContact CE1-CD1 4.1Å; Y134-I137 PolarHBondContact O-N 3.48Å
135R60.7Low72.6Confident203 Ų203117.6 Ų117.677%0.76656%0.561SS**G310 helixtrans-72.21.4-175.1-125.4176.7177-163.6-4.3115.4R131 Q132 S133R131-R135 PolarHBondContact O-N 3.18Å; Q132-R135 WeakPolarHBondContact O-CB 3.39Å; Q132-R135 PolarHBondContact O-N 2.98Å; S133-R135 PolarHBondContact O-N 3.35Å
136G60.1Low72.7Confident64 Ų64116.7 Ų116.766%0.6656%0.559SS**G310 helixtrans-128.88.2167.200000114.4Y134Y134-G136 PolarHBondContact O-N 3.34Å
137I63.1Low72.8Confident102 Ų102116.5 Ų116.552%0.52356%0.56SS.*SBendtrans-103113.3-179.3-65.2169.5000107.8Y134 T139Y134-I137 HydrophobicContact CD1-CB 4.16Å; Y134-I137 HydrophobicContact CD1-CD1 3.66Å; Y134-I137 HydrophobicContact CD1-CG1 4.45Å; Y134-I137 HydrophobicContact CD1-CG2 4.37Å; Y134-I137 HydrophobicContact CE1-CD1 4.1Å; Y134-I137 PolarHBondContact O-N 3.48Å; I137-T139 PolarHBondContact O-N 3.32Å
138H57Low73.4Confident123 Ų123118 Ų11857%0.56956%0.562SS**  trans-63.798.1-176.4-69.2-90000111.2A140 E146H138-A140 CarbonylContact C-O 3.57Å; H138-E146 IonicContact CD2-OE1 3.68Å; H138-E146 PolarHBondContact CD2-OE1 3.36Å; H138-E146 IonicContact CD2-OE2 2.77Å; H138-E146 IonicContact CG-OE1 3.37Å; H138-E146 IonicContact CG-OE2 3.96Å; H138-E146 IonicContact NE2-OE1 2.99Å
139T61.3Low73.9Confident139 Ų139118.9 Ų118.985%0.85356%0.562SS**  trans-76.6-13169.154.10000112.6I137I137-T139 PolarHBondContact O-N 3.32Å
140A66.3Low74.4Confident69 Ų69113.3 Ų113.357%0.5754%0.544SS*.SBendtrans-82.5156.9163.400000110.4H138 K142H138-A140 CarbonylContact C-O 3.57Å; A140-K142 PolarHBondContact O-N 3.37Å
141R70.9Confident75.3Confident249 Ų249111.1 Ų111.194%0.9454%0.54SS*.PPolyproline II helixtrans-55.2127.7177.1-58.2177.187.1144.13.2109.7S143R141-S143 PolarHBondContact O-N 3.07Å
142K79.7Confident76.6Confident98 Ų98107 Ų10743%0.42653%0.531SS..PPolyproline II helixtrans-49.7136.5176.8-62.3-179.3172.7171.20110.5A140 E146 V147 E150A140-K142 PolarHBondContact O-N 3.37Å; K142-E146 VanDerWaalsContact CA-OE2 3.29Å; K142-E146 WeakPolarHBondContact CA-OE2 3.46Å; K142-E146 HydrophobicContact CB-CB 4.43Å; K142-E146 HydrophobicContact CB-CG 4.32Å; K142-V147 HydrophobicContact CB-CG2 3.76Å; K142-V147 HydrophobicContact CD-CG2 4.38Å; K142-E150 WeakPolarHBondContact CD-OE2 3.11Å; K142-E150 IonicContact NZ-OE1 2.68Å; K142-E150 PolarHBondContact NZ-OE1 3.45Å; K142-E150 IonicContact NZ-OE2 2.69Å; K142-E150 PolarHBondContact NZ-OE2 3.25Å
143S85.9Confident78.1Confident52 Ų52103.4 Ų103.436%0.36452%0.523SS..PPolyproline II helixtrans-68.9155.1174.876.20000110.7R141 T145 E146 V147R141-S143 PolarHBondContact O-N 3.07Å; S143-T145 PolarHBondContact O-N 3.37Å; S143-T145 VanDerWaalsContact O-N 3.15Å; S143-T145 PolarHBondContact OG-OG1 3.45Å; S143-E146 PolarHBondContact N-OE2 3.42Å; S143-E146 WeakPolarHBondContact O-CA 3.3Å; S143-E146 VanDerWaalsContact O-CB 3.32Å; S143-E146 WeakPolarHBondContact O-CB 3.32Å; S143-E146 PolarHBondContact O-N 3.26Å; S143-E146 WeakPolarHBondContact OG-CB 3.28Å; S143-E146 PolarHBondContact OG-N 3.02Å; S143-V147 PolarHBondContact O-N 3.37Å
144Y88.9Confident79.4Confident179 Ų179104.2 Ų104.270%0.70252%0.518SS*.Hα-helixtrans-52.5-38.9173.9176.6-110.7000112.1E146 V147 L148Y144-E146 VanDerWaalsContact C-N 3.27Å; Y144-E146 PolarHBondContact O-N 3.49Å; Y144-V147 PolarHBondContact O-N 2.95Å; Y144-L148 HydrophobicContact CD1-CD1 4.03Å; Y144-L148 HydrophobicContact CE1-CD1 3.51Å; Y144-L148 HydrophobicContact CE1-CG 4.25Å; Y144-L148 HydrophobicContact CE2-CD1 4.42Å; Y144-L148 HydrophobicContact CE2-CD2 4.48Å; Y144-L148 HydrophobicContact CE2-CG 4.33Å; Y144-L148 WeakPolarHBondContact O-CG 3.37Å; Y144-L148 PolarHBondContact O-N 3.43Å
145T88.4Confident81.1Confident75 Ų75104 Ų10446%0.4652%0.521SS..Hα-helixtrans-69.3-21176.575.60000114.7S143 R149S143-T145 PolarHBondContact O-N 3.37Å; S143-T145 VanDerWaalsContact O-N 3.15Å; S143-T145 PolarHBondContact OG-OG1 3.45Å; T145-R149 WeakPolarHBondContact O-CG 3.42Å; T145-R149 PolarHBondContact O-N 3.23Å; T145-R149 PolarHBondContact O-NE 2.82Å; T145-R149 PolarHBondContact OG1-NH2 2.81Å
146E86.2Confident82.7Confident37 Ų3797.8 Ų97.817%0.17351%0.506CS..Hα-helixtrans-86.4-41.9178.9-175.5-171.8162.100109.6H138 K142 S143 Y144 L148 R149 E150H138-E146 IonicContact CD2-OE1 3.68Å; H138-E146 PolarHBondContact CD2-OE1 3.36Å; H138-E146 IonicContact CD2-OE2 2.77Å; H138-E146 IonicContact CG-OE1 3.37Å; H138-E146 IonicContact CG-OE2 3.96Å; H138-E146 IonicContact NE2-OE1 2.99Å; K142-E146 VanDerWaalsContact CA-OE2 3.29Å; K142-E146 WeakPolarHBondContact CA-OE2 3.46Å; K142-E146 HydrophobicContact CB-CB 4.43Å; K142-E146 HydrophobicContact CB-CG 4.32Å; S143-E146 PolarHBondContact N-OE2 3.42Å; S143-E146 WeakPolarHBondContact O-CA 3.3Å; S143-E146 VanDerWaalsContact O-CB 3.32Å; S143-E146 WeakPolarHBondContact O-CB 3.32Å; S143-E146 PolarHBondContact O-N 3.26Å; S143-E146 WeakPolarHBondContact OG-CB 3.28Å; S143-E146 PolarHBondContact OG-N 3.02Å; Y144-E146 VanDerWaalsContact C-N 3.27Å; Y144-E146 PolarHBondContact O-N 3.49Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 3.01Å; E146-R149 WeakPolarHBondContact O-CB 3.2Å; E146-R149 PolarHBondContact O-N 3.47Å; E146-R149 VanDerWaalsContact O-N 3.12Å; E146-E150 PolarHBondContact O-N 2.83Å
147V88.4Confident84.3Confident53 Ų53101.4 Ų101.432%0.32151%0.505SS..Hα-helixtrans-58.5-44169.3177.60000110.9K142 S143 Y144 R149 E150 I151K142-V147 HydrophobicContact CB-CG2 3.76Å; K142-V147 HydrophobicContact CD-CG2 4.38Å; S143-V147 PolarHBondContact O-N 3.37Å; Y144-V147 PolarHBondContact O-N 2.95Å; V147-R149 VanDerWaalsContact C-N 3.34Å; V147-R149 PolarHBondContact O-N 3.12Å; V147-E150 PolarHBondContact O-N 3.47Å; V147-I151 HydrophobicContact CG1-CD1 3.89Å; V147-I151 VanDerWaalsContact O-CG1 3.31Å; V147-I151 WeakPolarHBondContact O-CG1 3.41Å; V147-I151 PolarHBondContact O-N 3.13Å
148L92.8Very high85.7Confident69 Ų69101.8 Ų101.836%0.36151%0.507SS..Hα-helixtrans-61.8-39.6173.7-73.3178.6000112.7Y144 E146 I151 I152Y144-L148 HydrophobicContact CD1-CD1 4.03Å; Y144-L148 HydrophobicContact CE1-CD1 3.51Å; Y144-L148 HydrophobicContact CE1-CG 4.25Å; Y144-L148 HydrophobicContact CE2-CD1 4.42Å; Y144-L148 HydrophobicContact CE2-CD2 4.48Å; Y144-L148 HydrophobicContact CE2-CG 4.33Å; Y144-L148 WeakPolarHBondContact O-CG 3.37Å; Y144-L148 PolarHBondContact O-N 3.43Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 3.01Å; L148-I151 PolarHBondContact O-N 2.98Å; L148-I152 WeakPolarHBondContact O-CB 3.41Å; L148-I152 WeakPolarHBondContact O-CD1 3.3Å; L148-I152 VanDerWaalsContact O-CG1 3.23Å; L148-I152 WeakPolarHBondContact O-CG1 3.33Å; L148-I152 PolarHBondContact O-N 3.01Å
149R91.9Very high87.4Confident163 Ų163101.7 Ų101.762%0.61551%0.51SS*.Hα-helixtrans-65-39.2176.4-84178.1-88.9-178.1-7.5112.1T145 E146 V147 A153T145-R149 WeakPolarHBondContact O-CG 3.42Å; T145-R149 PolarHBondContact O-N 3.23Å; T145-R149 PolarHBondContact O-NE 2.82Å; T145-R149 PolarHBondContact OG1-NH2 2.81Å; E146-R149 WeakPolarHBondContact O-CB 3.2Å; E146-R149 PolarHBondContact O-N 3.47Å; E146-R149 VanDerWaalsContact O-N 3.12Å; V147-R149 VanDerWaalsContact C-N 3.34Å; V147-R149 PolarHBondContact O-N 3.12Å; R149-A153 WeakPolarHBondContact O-CB 3.47Å; R149-A153 PolarHBondContact O-N 3.45Å
150E90.5Very high88.8Confident75 Ų7598.4 Ų98.435%0.3549%0.491SS..Hα-helixtrans-65.5-45.5175.5-177.4172.4-145.900112.1K142 E146 V147 A153 Q154K142-E150 WeakPolarHBondContact CD-OE2 3.11Å; K142-E150 IonicContact NZ-OE1 2.68Å; K142-E150 PolarHBondContact NZ-OE1 3.45Å; K142-E150 IonicContact NZ-OE2 2.69Å; K142-E150 PolarHBondContact NZ-OE2 3.25Å; E146-E150 PolarHBondContact O-N 2.83Å; V147-E150 PolarHBondContact O-N 3.47Å; E150-A153 PolarHBondContact O-N 3.06Å; E150-Q154 WeakPolarHBondContact O-CG 3.32Å; E150-Q154 PolarHBondContact O-N 2.83Å
151I94.8Very high89.9Confident69 Ų6997.2 Ų97.235%0.35448%0.48SS..Hα-helixtrans-61.5-45.4176.2-68.1165.2000111V147 L148 Q154 Q155V147-I151 HydrophobicContact CG1-CD1 3.89Å; V147-I151 VanDerWaalsContact O-CG1 3.31Å; V147-I151 WeakPolarHBondContact O-CG1 3.41Å; V147-I151 PolarHBondContact O-N 3.13Å; L148-I151 PolarHBondContact O-N 2.98Å; I151-Q154 PolarHBondContact O-N 3.34Å; I151-Q155 HydrophobicContact CG2-CG 4.49Å; I151-Q155 WeakPolarHBondContact O-CB 3.5Å; I151-Q155 WeakPolarHBondContact O-CG 3.31Å; I151-Q155 PolarHBondContact O-N 3.14Å
152I94.4Very high90.8Very high100 Ų10088.6 Ų88.651%0.51346%0.458SS..Hα-helixtrans-62-45.7177.8-68.9164.4000110.2L148 Q154 Q155 T156L148-I152 WeakPolarHBondContact O-CB 3.41Å; L148-I152 WeakPolarHBondContact O-CD1 3.3Å; L148-I152 VanDerWaalsContact O-CG1 3.23Å; L148-I152 WeakPolarHBondContact O-CG1 3.33Å; L148-I152 PolarHBondContact O-N 3.01Å; I152-Q154 PolarHBondContact O-N 3.08Å; I152-Q155 PolarHBondContact O-N 3.06Å; I152-T156 HydrophobicContact CG2-CG2 4.42Å; I152-T156 WeakPolarHBondContact O-CG2 3.4Å; I152-T156 PolarHBondContact O-N 2.83Å; I152-T156 PolarHBondContact O-OG1 3.43Å; I152-T156 VanDerWaalsContact O-OG1 3.08Å
153A93.2Very high91.2Very high51 Ų5189 Ų8942%0.42146%0.462SS..Hα-helixtrans-58.4-48.4178.600000112R149 E150 Q155 T156 E157R149-A153 WeakPolarHBondContact O-CB 3.47Å; R149-A153 PolarHBondContact O-N 3.45Å; E150-A153 PolarHBondContact O-N 3.06Å; A153-Q155 PolarHBondContact O-N 3.31Å; A153-T156 WeakPolarHBondContact CA-OG1 3.49Å; A153-T156 PolarHBondContact O-N 3.41Å; A153-T156 PolarHBondContact O-OG1 2.84Å; A153-E157 WeakPolarHBondContact O-CB 3.46Å; A153-E157 PolarHBondContact O-N 3.41Å
154Q94.4Very high91.3Very high99 Ų9991.5 Ų91.546%0.46347%0.468SS..Hα-helixtrans-60.2-43.6176.5-72.4173.4-8.800112.2E150 I151 I152 E157 I158E150-Q154 WeakPolarHBondContact O-CG 3.32Å; E150-Q154 PolarHBondContact O-N 2.83Å; I151-Q154 PolarHBondContact O-N 3.34Å; I152-Q154 PolarHBondContact O-N 3.08Å; Q154-E157 PolarHBondContact O-N 3.42Å; Q154-I158 WeakPolarHBondContact O-CD1 3.04Å; Q154-I158 VanDerWaalsContact O-CG1 3.28Å; Q154-I158 WeakPolarHBondContact O-CG1 3.32Å; Q154-I158 PolarHBondContact O-N 3.16Å
155Q94.6Very high91Very high114 Ų11487.7 Ų87.753%0.53346%0.459SS..Hα-helixtrans-65.5-40.4177.3-73.8177.7-12.600112.1I151 I152 A153 L159I151-Q155 HydrophobicContact CG2-CG 4.49Å; I151-Q155 WeakPolarHBondContact O-CB 3.5Å; I151-Q155 WeakPolarHBondContact O-CG 3.31Å; I151-Q155 PolarHBondContact O-N 3.14Å; I152-Q155 PolarHBondContact O-N 3.06Å; A153-Q155 PolarHBondContact O-N 3.31Å; Q155-L159 WeakPolarHBondContact O-CB 3.29Å; Q155-L159 VanDerWaalsContact O-CG 3.27Å; Q155-L159 WeakPolarHBondContact O-CG 3.04Å; Q155-L159 PolarHBondContact O-N 2.96Å; Q155-L159 VanDerWaalsContact O-N 3.07Å
156T93.3Very high90.4Very high73 Ų7387.4 Ų87.445%0.44846%0.46SS..Hα-helixtrans-65.2-40.9175.249.40000112.1I152 A153 L159 T160I152-T156 HydrophobicContact CG2-CG2 4.42Å; I152-T156 WeakPolarHBondContact O-CG2 3.4Å; I152-T156 PolarHBondContact O-N 2.83Å; I152-T156 PolarHBondContact O-OG1 3.43Å; I152-T156 VanDerWaalsContact O-OG1 3.08Å; A153-T156 WeakPolarHBondContact CA-OG1 3.49Å; A153-T156 PolarHBondContact O-N 3.41Å; A153-T156 PolarHBondContact O-OG1 2.84Å; T156-L159 PolarHBondContact O-N 2.88Å; T156-T160 WeakPolarHBondContact O-CB 3.48Å; T156-T160 PolarHBondContact O-N 3.41Å; T156-T160 PolarHBondContact O-OG1 2.86Å; T156-T160 VanDerWaalsContact O-OG1 3.1Å
157E93.7Very high90Very high140 Ų14089.9 Ų89.965%0.65447%0.472SS*.Hα-helixtrans-61.1-45.9177.1-176.2175.7-165.900111.7A153 Q154 L159 T160 A161A153-E157 WeakPolarHBondContact O-CB 3.46Å; A153-E157 PolarHBondContact O-N 3.41Å; Q154-E157 PolarHBondContact O-N 3.42Å; E157-L159 PolarHBondContact O-N 3.27Å; E157-T160 PolarHBondContact O-N 3.5Å; E157-A161 WeakPolarHBondContact O-CB 3.35Å; E157-A161 PolarHBondContact O-N 3.4Å
158I92.2Very high89.1Confident110 Ų11092.6 Ų92.656%0.56448%0.481SS*.Hα-helixtrans-62.5-41.8176.9-67.7163.9000111.6Q154 S162Q154-I158 WeakPolarHBondContact O-CD1 3.04Å; Q154-I158 VanDerWaalsContact O-CG1 3.28Å; Q154-I158 WeakPolarHBondContact O-CG1 3.32Å; Q154-I158 PolarHBondContact O-N 3.16Å; I158-S162 WeakPolarHBondContact O-CB 3.38Å; I158-S162 PolarHBondContact O-N 2.94Å; I158-S162 PolarHBondContact O-OG 3.04Å
159L92.9Very high87.6Confident121 Ų12195.8 Ų95.863%0.63449%0.494SS*.Hα-helixtrans-68.3-43.2178.4-71.2170.8000111.9Q155 T156 E157 S162 Q163Q155-L159 WeakPolarHBondContact O-CB 3.29Å; Q155-L159 VanDerWaalsContact O-CG 3.27Å; Q155-L159 WeakPolarHBondContact O-CG 3.04Å; Q155-L159 PolarHBondContact O-N 2.96Å; Q155-L159 VanDerWaalsContact O-N 3.07Å; T156-L159 PolarHBondContact O-N 2.88Å; E157-L159 PolarHBondContact O-N 3.27Å; L159-S162 PolarHBondContact O-N 2.9Å; L159-Q163 PolarHBondContact O-N 3.44Å
160T91.6Very high86.1Confident71 Ų7191.3 Ų91.344%0.43649%0.488SS..Hα-helixtrans-62.2-47.9175.4-63.80000111.2T156 E157 S162 Q163 E164T156-T160 WeakPolarHBondContact O-CB 3.48Å; T156-T160 PolarHBondContact O-N 3.41Å; T156-T160 PolarHBondContact O-OG1 2.86Å; T156-T160 VanDerWaalsContact O-OG1 3.1Å; E157-T160 PolarHBondContact O-N 3.5Å; T160-S162 VanDerWaalsContact C-N 3.29Å; T160-S162 PolarHBondContact O-N 3.19Å; T160-Q163 WeakPolarHBondContact O-CB 3.11Å; T160-Q163 PolarHBondContact O-N 3.02Å; T160-Q163 VanDerWaalsContact O-N 3.09Å; T160-E164 HydrophobicContact CG2-CG 4.45Å; T160-E164 WeakPolarHBondContact O-CG 3.4Å; T160-E164 PolarHBondContact O-N 3.39Å
161A90.3Very high84.6Confident43 Ų4394 Ų9436%0.35550%0.5SS..Hα-helixtrans-60.7-37.6176.100000112.5E157 Q163 E164 L165E157-A161 WeakPolarHBondContact O-CB 3.35Å; E157-A161 PolarHBondContact O-N 3.4Å; A161-Q163 VanDerWaalsContact C-N 3.34Å; A161-E164 PolarHBondContact O-N 3.44Å; A161-L165 WeakPolarHBondContact O-CB 3.37Å; A161-L165 VanDerWaalsContact O-CG 3.27Å; A161-L165 WeakPolarHBondContact O-CG 3.48Å; A161-L165 PolarHBondContact O-N 3.02Å
162S89Confident82.8Confident68 Ų6896.5 Ų96.548%0.47651%0.514SS..Hα-helixtrans-66-36.5175.3-58.20000112.2I158 L159 T160 S166I158-S162 WeakPolarHBondContact O-CB 3.38Å; I158-S162 PolarHBondContact O-N 2.94Å; I158-S162 PolarHBondContact O-OG 3.04Å; L159-S162 PolarHBondContact O-N 2.9Å; T160-S162 VanDerWaalsContact C-N 3.29Å; T160-S162 PolarHBondContact O-N 3.19Å; S162-S166 PolarHBondContact O-N 3.28Å
163Q88.4Confident81Confident108 Ų108101.6 Ų101.651%0.50553%0.527SS..Hα-helixtrans-67.7-50.1174.3-177.5178.7-17.500111.1L159 T160 A161 L165 S166 E167L159-Q163 PolarHBondContact O-N 3.44Å; T160-Q163 WeakPolarHBondContact O-CB 3.11Å; T160-Q163 PolarHBondContact O-N 3.02Å; T160-Q163 VanDerWaalsContact O-N 3.09Å; A161-Q163 VanDerWaalsContact C-N 3.34Å; Q163-L165 VanDerWaalsContact C-N 3.31Å; Q163-L165 PolarHBondContact O-N 3.07Å; Q163-S166 WeakPolarHBondContact O-CA 3.48Å; Q163-S166 WeakPolarHBondContact O-CB 3.5Å; Q163-S166 PolarHBondContact O-N 3.35Å; Q163-S166 PolarHBondContact O-OG 3.37Å; Q163-E167 HydrophobicContact CG-CG 4.48Å; Q163-E167 WeakPolarHBondContact CG-OE1 3.31Å; Q163-E167 PolarHBondContact NE2-OE1 3.01Å; Q163-E167 PolarHBondContact O-N 3.36Å
164E87Confident79.3Confident104 Ų104109 Ų10949%0.48654%0.544SS..Hα-helixtrans-57.4-41.6178.9-71.4177176.700112.1T160 A161 S166 E167 Q168T160-E164 HydrophobicContact CG2-CG 4.45Å; T160-E164 WeakPolarHBondContact O-CG 3.4Å; T160-E164 PolarHBondContact O-N 3.39Å; A161-E164 PolarHBondContact O-N 3.44Å; E164-S166 VanDerWaalsContact C-N 3.32Å; E164-S166 PolarHBondContact O-N 2.89Å; E164-E167 PolarHBondContact O-N 2.73Å; E164-Q168 WeakPolarHBondContact O-CG 3.37Å; E164-Q168 PolarHBondContact O-N 3.48Å
165L82.5Confident77.2Confident99 Ų99108.5 Ų108.552%0.51855%0.551SS.*Hα-helixtrans-64.4-34174.3-72.9171000113A161 Q163 Q169A161-L165 WeakPolarHBondContact O-CB 3.37Å; A161-L165 VanDerWaalsContact O-CG 3.27Å; A161-L165 WeakPolarHBondContact O-CG 3.48Å; A161-L165 PolarHBondContact O-N 3.02Å; Q163-L165 VanDerWaalsContact C-N 3.31Å; Q163-L165 PolarHBondContact O-N 3.07Å; L165-Q169 WeakPolarHBondContact O-CG 3.14Å; L165-Q169 PolarHBondContact O-N 2.68Å
166S76.9Confident75Confident68 Ų68107.4 Ų107.448%0.47656%0.556SS.*Hα-helixtrans-72.9-34.4175.977.70000112.4S162 Q163 E164 S170S162-S166 PolarHBondContact O-N 3.28Å; Q163-S166 WeakPolarHBondContact O-CA 3.48Å; Q163-S166 WeakPolarHBondContact O-CB 3.5Å; Q163-S166 PolarHBondContact O-N 3.35Å; Q163-S166 PolarHBondContact O-OG 3.37Å; E164-S166 VanDerWaalsContact C-N 3.32Å; E164-S166 PolarHBondContact O-N 2.89Å; S166-S170 PolarHBondContact O-N 3.05Å
167E78.2Confident73Confident90 Ų90107.9 Ų107.942%0.42156%0.562SS.*Hα-helixtrans-69.3-48175.8-71173.9-175.500110.2Q163 E164 Q169 S170 E171Q163-E167 HydrophobicContact CG-CG 4.48Å; Q163-E167 WeakPolarHBondContact CG-OE1 3.31Å; Q163-E167 PolarHBondContact NE2-OE1 3.01Å; Q163-E167 PolarHBondContact O-N 3.36Å; E164-E167 PolarHBondContact O-N 2.73Å; E167-Q169 PolarHBondContact O-N 3.42Å; E167-S170 CarbonylContact O-C 3.6Å; E167-S170 WeakPolarHBondContact O-CA 3.47Å; E167-S170 WeakPolarHBondContact O-CB 3.43Å; E167-S170 PolarHBondContact O-N 2.99Å; E167-S170 PolarHBondContact O-OG 2.95Å; E167-E171 PolarHBondContact O-N 3.48Å
168Q67.7Low71.1Confident109 Ų109106.7 Ų106.751%0.50957%0.565SS.*Hα-helixtrans-57.9-44.8175.8-74175.3-2.100112.9E164 S170 E171 D172E164-Q168 WeakPolarHBondContact O-CG 3.37Å; E164-Q168 PolarHBondContact O-N 3.48Å; Q168-S170 PolarHBondContact O-N 2.86Å; Q168-E171 PolarHBondContact O-N 3.08Å; Q168-E171 VanDerWaalsContact O-N 3.14Å; Q168-D172 PolarHBondContact O-N 3.04Å
169Q62Low69Low136 Ų136110.3 Ų110.364%0.63658%0.579SS**Hα-helixtrans-62.5-26.6174.7-75.3-177.940.800113.5L165 E167 R173L165-Q169 WeakPolarHBondContact O-CG 3.14Å; L165-Q169 PolarHBondContact O-N 2.68Å; E167-Q169 PolarHBondContact O-N 3.42Å; Q169-R173 WeakPolarHBondContact O-CG 3.29Å
170S61.3Low66.8Low70 Ų70109.3 Ų109.349%0.4958%0.582SS.*Hα-helixtrans-79.6-33.417585.20000112.5S166 E167 Q168 R174S166-S170 PolarHBondContact O-N 3.05Å; E167-S170 CarbonylContact O-C 3.6Å; E167-S170 WeakPolarHBondContact O-CA 3.47Å; E167-S170 WeakPolarHBondContact O-CB 3.43Å; E167-S170 PolarHBondContact O-N 2.99Å; E167-S170 PolarHBondContact O-OG 2.95Å; Q168-S170 PolarHBondContact O-N 2.86Å; S170-R174 WeakPolarHBondContact O-CB 3.36Å; S170-R174 PolarHBondContact O-N 3.32Å
171E58.4Low64.7Low131 Ų131113.9 Ų113.961%0.61260%0.603SS**Hα-helixtrans-75.8-43.9178.5-68.7-169.2145.700112.2E167 Q168 R173 R174 S175E167-E171 PolarHBondContact O-N 3.48Å; Q168-E171 PolarHBondContact O-N 3.08Å; Q168-E171 VanDerWaalsContact O-N 3.14Å; E171-R173 VanDerWaalsContact C-N 3.32Å; E171-R173 PolarHBondContact O-N 3.05Å; E171-R174 CarbonylContact O-C 3.59Å; E171-R174 WeakPolarHBondContact O-CA 3.39Å; E171-R174 PolarHBondContact O-N 3.28Å; E171-S175 PolarHBondContact O-N 3.23Å
172D56.1Low62.4Low121 Ų121116.5 Ų116.565%0.64762%0.619SS**Hα-helixtrans-58.5-42.9176.3-82.2-24.9000111.9Q168 R174 S176Q168-D172 PolarHBondContact O-N 3.04Å; D172-R174 VanDerWaalsContact C-N 3.26Å; D172-R174 PolarHBondContact O-N 2.76Å; D172-S176 PolarHBondContact O-N 3.07Å
173R57.4Low60.4Low208 Ų208120.1 Ų120.179%0.78563%0.633SS**Hα-helixtrans-68.1-23.2174.9-75.6-173.1172.5-143.7-1.3113.7Q169 E171Q169-R173 WeakPolarHBondContact O-CG 3.29Å; E171-R173 VanDerWaalsContact C-N 3.32Å; E171-R173 PolarHBondContact O-N 3.05Å
174R56.5Low58.7Low207 Ų207124.5 Ų124.578%0.78165%0.65SS**Hα-helixtrans-88.5-32.9179.9-165.3170.3-173.4143.10.8111.9S170 E171 D172S170-R174 WeakPolarHBondContact O-CB 3.36Å; S170-R174 PolarHBondContact O-N 3.32Å; E171-R174 CarbonylContact O-C 3.59Å; E171-R174 WeakPolarHBondContact O-CA 3.39Å; E171-R174 PolarHBondContact O-N 3.28Å; D172-R174 VanDerWaalsContact C-N 3.26Å; D172-R174 PolarHBondContact O-N 2.76Å
175S51.7Low56.5Low87 Ų87124.4 Ų124.461%0.60866%0.659SS**Hα-helixtrans-75.1-33.6177.1-151.90000112.4E171 S177 V178E171-S175 PolarHBondContact O-N 3.23Å; S175-S177 PolarHBondContact O-N 3.32Å; S175-V178 WeakPolarHBondContact O-CG2 3.23Å
176S48.5Very low54.5Low92 Ų92127.7 Ų127.764%0.64367%0.671SS**THydrogen-bonded Turntrans-72.2-6.8178.292.50000115D172D172-S176 PolarHBondContact O-N 3.07Å
177S51.5Low52.9Low82 Ų82131.1 Ų131.157%0.57369%0.685SS**THydrogen-bonded Turntrans-97.9-3.3-172.9-171.10000114.4S175S175-S177 PolarHBondContact O-N 3.32Å
178V53.1Low51.5Low116 Ų116133 Ų13370%0.70370%0.697SS**SBendtrans-112.1-7.3-169.8-63.50000115.6S175S175-V178 WeakPolarHBondContact O-CG2 3.23Å
179E48.2Very low50.4Low185 Ų185135.9 Ų135.986%0.86471%0.71SS**SBendtrans-97-9.1-179.7-82.6-149106.200115.8
180S47.4Very low49.6Very low101 Ų101139 Ų13971%0.70672%0.721SS**SBendtrans-102.710.6-170.8-52.40000116
181L46.7Very low49Very low166 Ų166141.1 Ų141.187%0.86974%0.736SS**  trans-122.660-174.7-64.2178000112.8
182S42.6Very low48.2Very low98 Ų98146.5 Ų146.569%0.68575%0.751SS**  trans-127.8137165.1-169.70000110.2
183N46.7Very low47.4Very low145 Ų145147.1 Ų147.178%0.77576%0.763SS**SBendtrans90.489178.4-51.3-62.6000118.8
184K51.6Low46.7Very low199 Ų199141.7 Ų141.787%0.86576%0.757SS**  trans85.6153.5130.3-82.8-170.5169.6-178.40119.7
185P41.2Very low46.2Very low103 Ų103139.6 Ų139.667%0.66976%0.756SS**  trans-131.8-163.3-130.732.5-8.3000114
186E40.9Very low45.9Very low167 Ų167144.4 Ų144.478%0.7877%0.766SS**  trans70.3100.9165.1-52.8-175.816800117.4
187N44.3Very low46.2Very low141 Ų141149.1 Ų149.175%0.75477%0.771SS**  -174.3160.8102.8-108-90.3000114.6
188L47.4Very low46Very low128 Ų128154.9 Ų154.967%0.6779%0.786SS**  trans-47.9142.9-178.6-6971.2000115.8
189H45.5Very low45.6Very low171 Ų171155.8 Ų155.879%0.79279%0.791SS**  -173.6148.287.7-112.3-85.1000114.1
190K44.4Very low45.7Very low200 Ų200155.2 Ų155.287%0.8779%0.789SS**  trans-70.1139169.8-86.4111.7167.6177.20110.9
191S49.4Very low45.8Very low115 Ų115155.7 Ų155.780%0.80478%0.784SS**  trans-144.6125.5139-169.90000111
192R40.7Very low45.6Very low244 Ų244153.7 Ų153.792%0.92178%0.78SS**  trans-88.8129169.6-82.3171.9158.7178.2-6.6107.9
193C38.8Very low45.6Very low134 Ų134153.8 Ų153.891%0.90578%0.781SS**  trans-134.5130.2151.2-95.30000109.8
194S43.2Very low45.6Very low95 Ų95157.9 Ų157.966%0.66479%0.786SS**  trans-113.8122.7-174.8146.20000108.4
195H46.3Very low45.3Very low162 Ų162155.4 Ų155.475%0.7578%0.78SS**  trans-128.2124160.9-100.5-59.9000111.8Y197H195-Y197 HydrophobicContact CB-CE1 3.94Å; H195-Y197 AromaticContact ND1-CE1 3.98Å
196K44.6Very low45.4Very low189 Ų189158.7 Ų158.782%0.82279%0.786SS**  trans-103.2125177-69178.7176.5179.10110.1
197Y56Low45.3Very low190 Ų190161.7 Ų161.775%0.74579%0.791SS**  trans-165.3148.8157.223.7-106.4000109.5H195H195-Y197 HydrophobicContact CB-CE1 3.94Å; H195-Y197 AromaticContact ND1-CE1 3.98Å
198K46.8Very low45.3Very low204 Ų204165.3 Ų165.389%0.88780%0.795SS**  cis-156.5140.4-34.3-176167.9176.7177.20105.8
199T44.7Very low45.1Very low134 Ų134163.7 Ų163.782%0.82280%0.795SS**  trans-73.8134.7-16942.90000115.3
200Q49.9Very low45.1Very low174 Ų174161.6 Ų161.681%0.81380%0.796SS**  trans-165.4151.7148.3-85.8-133.65700108.3
201N49.2Very low45Very low111 Ų111156.6 Ų156.659%0.59479%0.786SS**  cis-165112.2-18.9179.6-5.9000109.5
202P42.8Very low44.6Very low123 Ų123157.9 Ų157.980%0.79978%0.784SS**  trans-98.5110.1-176.534.5-27.5000111.8
203S43.2Very low44.7Very low101 Ų101151.7 Ų151.771%0.70678%0.778SS**  trans-160.1143.7176.4-84.90000114.4
204R45.8Very low45.1Very low230 Ų230151 Ų15187%0.86877%0.772SS**  trans81.4108.7175.6-58.7-178.5-179-150.5-3.3115.5
205I46.2Very low45.1Very low147 Ų147152 Ų15275%0.75478%0.779SS**  70.9126.159.3-59161.5000108.9
206H42.8Very low44.9Very low172 Ų172149.3 Ų149.380%0.79678%0.779SS**  cis-146.2150.234.9-146.1-78000112.6
207R40.2Very low44.8Very low231 Ų231145 Ų14587%0.87277%0.773SS**  trans-82.8144.6163.3-56.4178.9-169.3-178.93.1109.2
208Y43.3Very low44.1Very low216 Ų216141 Ų14185%0.84777%0.773SS**  trans-140.1126159-155.8-98000110.7
209S44.2Very low43.8Very low94 Ų94136.5 Ų136.566%0.65777%0.766SS**  trans-95.5152.1-179.4-62.60000110.4
210P44Very low43.6Very low127 Ų127135.4 Ų135.483%0.82577%0.765SS**  trans-82.9140.7-17632.9-34.7000112.7
211S43.2Very low43.2Very low95 Ų95131.7 Ų131.766%0.66476%0.758SS**  trans-158.7144.3163.855.60000114.2
212N40.6Very low42.8Very low142 Ų142132.5 Ų132.576%0.75977%0.767SS**  trans7191150.5-58.4-17.1000122
213S43.9Very low42.8Very low114 Ų114132 Ų13280%0.79776%0.762SS**  70.6155.2108.6-60.50000122.5
214P46.9Very low43Very low120 Ų120133.5 Ų133.578%0.77977%0.767SS**  trans-120163.2-151.341.8-30000116.3
215S42.3Very low42.9Very low115 Ų115128.9 Ų128.980%0.80476%0.764SS**  trans-150.8142.7162.4-57.30000112.6
216S43.2Very low42.7Very low106 Ų106132.7 Ų132.774%0.74177%0.769SS**  trans0.1149.6144.160.80000119.5
217S41.3Very low42.6Very low99 Ų99136.6 Ų136.669%0.69278%0.777SS**  cis-174.5152.4248.40000113
218S40.8Very low42.8Very low107 Ų107132 Ų13275%0.74877%0.769SS**  trans59.7109.9132.5-51.90000122.8
219S41.3Very low42.8Very low108 Ų108129.5 Ų129.576%0.75577%0.771SS**  105.1136.7118-640000122
220S41.3Very low42.9Very low112 Ų112133 Ų13378%0.78378%0.777SS**  trans76.4142.4154.3-61.50000118.6
221S40.1Very low43.1Very low96 Ų96133.4 Ų133.467%0.67178%0.777SS**  cis-174.3177.2-19.3-106.70000108.5
222T42.1Very low42.9Very low127 Ų127133.9 Ų133.978%0.77978%0.779SS**  trans78.5145.4168.779.20000117.4
223T42.5Very low43Very low114 Ų114137.7 Ų137.770%0.69978%0.783SS**  cis-165.7165.3-30.129.20000109.1
224T47.5Very low43.2Very low131 Ų131141.2 Ų141.280%0.80478%0.784SS**  trans75.1146165.886.20000115.7
225T44Very low42.7Very low133 Ų133142.5 Ų142.582%0.81679%0.79SS**  cis-136.2155.3-1.739.60000111.7
226R40.3Very low42.7Very low228 Ų228143 Ų14386%0.8679%0.793SS**  trans-73.3147.3172.7-65.7160121.2176.5-0.2112.6
227R41.4Very low42.8Very low253 Ų253147.3 Ų147.396%0.95580%0.799SS**  trans-150.4132.6134.8-120.4173.4-174.4158.52.7111.6
228N45.6Very low42.8Very low134 Ų134147.5 Ų147.572%0.71780%0.8SS**  trans-77.4151.5-176.2-55.5-24.4000110.9
229N43.6Very low43Very low165 Ų165148.8 Ų148.888%0.88280%0.804SS**  -151.6128.2112.1-136.6-5.1000111.5
230E45.2Very low43.3Very low167 Ų167150.2 Ų150.278%0.7880%0.802SS**  trans-87.9144.9174.7-58-175.3119.200109.8
231T48.8Very low43.6Very low136 Ų136154.1 Ų154.183%0.83481%0.805SS**  trans-165.2139130.48.40000113.4
232C39.4Very low43.8Very low105 Ų105156.3 Ų156.371%0.70980%0.804SS**  trans4297.9157.3-69.10000119.6
233R42.8Very low44Very low221 Ų221155.7 Ų155.783%0.83480%0.8SS**  82.1102.967.9-73.3175.4179.6-172.82.1114.9
234K46.4Very low44Very low189 Ų189157.7 Ų157.782%0.82280%0.801SS**  52.9100.6128.1-56.7-179-179.2-175.50118.6
235T38Very low43.8Very low146 Ų146159.5 Ų159.590%0.89680%0.801SS**  -146.7101.3119.148.50000110.7
236S40.4Very low43.6Very low126 Ų126161.8 Ų161.888%0.88180%0.801SS**  trans-80.1119.9168-52.30000109.5
237K45.4Very low43.8Very low197 Ų197155.7 Ų155.786%0.85779%0.794SS**  trans-136.887.7157.8-160.6162.5-173.8174.70111T239K237-T239 PolarHBondContact O-N 3.38Å
238S42.6Very low44.1Very low102 Ų102147.9 Ų147.971%0.71378%0.778SS**  trans-64.8123.4170.11730000110.9
239T45.2Very low44Very low135 Ų135150.7 Ų150.783%0.82878%0.784SS**  trans-144.563.7141.145.80000108.3K237 K241K237-T239 PolarHBondContact O-N 3.38Å; T239-K241 PolarHBondContact O-N 2.98Å
240L46.4Very low43.9Very low137 Ų137154.6 Ų154.672%0.71779%0.786SS**  trans-83.1100.7175.5-15979000109
241K47.9Very low44Very low195 Ų195153.4 Ų153.485%0.84879%0.785SS**  trans-110.880.5169-76.3-167.9175-172.20109.7T239 T243T239-K241 PolarHBondContact O-N 2.98Å; K241-T243 PolarHBondContact O-N 3.25Å
242H44.2Very low43.9Very low141 Ų141155 Ų15565%0.65379%0.789SS**  trans-82.3100.7164.7-75-66.5000109.4H244H242-H244 PolarHBondContact O-N 3.44Å
243T47.3Very low44.2Very low114 Ų114159 Ų15970%0.69979%0.794SS**  trans-86.598.2164.547.40000109K241 H245K241-T243 PolarHBondContact O-N 3.25Å; T243-H245 PolarHBondContact O-N 3.22Å
244H42.5Very low44.1Very low156 Ų156158.8 Ų158.872%0.72279%0.793SS**  trans-71.3112.3166.8-81.2-95.5000109.5H242H242-H244 PolarHBondContact O-N 3.44Å
245H42.2Very low44.3Very low170 Ų170158.5 Ų158.579%0.78780%0.795SS**  trans-109.3100.1163.6-82.8-72.4000109.9T243T243-H245 PolarHBondContact O-N 3.22Å
246H39.3Very low44.5Very low180 Ų180155 Ų15583%0.83378%0.777SS**  trans-81.9117.4157.4-84-92.2000108.6
247S44.9Very low44.7Very low101 Ų101154.5 Ų154.571%0.70677%0.773SS**  trans-163.986.1170.6179.80000106.6
248S47.8Very low44.7Very low89 Ų89150.8 Ų150.862%0.62277%0.769SS**  75.492.394.273.80000114.9
249K43.8Very low44.5Very low192 Ų192151.5 Ų151.584%0.83577%0.774SS**  6288.9119.2-159.2-177.6-167.5-179.90116.7
250W41.6Very low44.4Very low247 Ų247151 Ų15194%0.93678%0.777SS**  trans-127.6142.9154.6-78.389.3000110.7
251N47.9Very low44.1Very low142 Ų142149.4 Ų149.476%0.75978%0.777SS**  trans-75.4129.7-166.8-67.7-36.6000112.7K253N251-K253 PolarHBondContact O-N 3.48Å
252D46.3Very low44.2Very low170 Ų170145.5 Ų145.591%0.90977%0.774SS**  trans-71.2114.4153.9-104.3-50.4000109.3R254D252-R254 PolarHBondContact O-N 2.87Å
253K45.7Very low44.3Very low189 Ų189146.5 Ų146.582%0.82278%0.776SS**  trans-86.798.8-177.2-167.7162.8-176.3174.90109.7N251 Q255N251-K253 PolarHBondContact O-N 3.48Å; K253-Q255 PolarHBondContact O-N 3.29Å
254R39.7Very low44.1Very low216 Ų216148.1 Ų148.182%0.81578%0.776SS**  trans-42.1124.7165.7-75.8-179.1166.9-148.1-0.6110.7D252D252-R254 PolarHBondContact O-N 2.87Å
255Q51.1Low44Very low183 Ų183151.3 Ų151.386%0.85578%0.781SS**  trans-106.6118148.3-78.5-71.1800106.5K253K253-Q255 PolarHBondContact O-N 3.29Å
256S42.6Very low44Very low73 Ų73149 Ų14951%0.5178%0.78SS.*  trans-114.7127.4-175.9-670000110.3
257S45.4Very low44Very low116 Ų116145.2 Ų145.281%0.81177%0.773SS**  trans73.2164.3151.3-52.50000117.1
258P45.3Very low43.9Very low118 Ų118145.2 Ų145.277%0.76677%0.773SS**  cis-123.9164.31.337.6-21.9000116.2
259S36.8Very low44Very low117 Ų117150.7 Ų150.782%0.81879%0.786SS**  trans-59.6143.3164.750.70000113.8
260S44.6Very low44Very low126 Ų126150.1 Ų150.188%0.88179%0.786SS**  trans-135.4129.5152.657.60000110.2
261S39.9Very low44.4Very low103 Ų103146.6 Ų146.672%0.7278%0.782SS**  trans-120.2118.3-175139.30000109.8
262S48.8Very low44.3Very low113 Ų113144.9 Ų144.979%0.7977%0.773SS**  trans-166.2111.9152.8-116.70000108.1
263K46.9Very low44.3Very low162 Ų162144.5 Ų144.570%0.70476%0.763SS**  81.6115.465.3-85-174.6172.9177.10114.6
264H43Very low44.2Very low148 Ų148146.2 Ų146.269%0.68576%0.764SS**  trans82.3116.1160.6-50-49.7000117
265R41.5Very low44.4Very low223 Ų223140 Ų14084%0.84275%0.753SS**  73.3136.596.6-72.5-165.7166.9-168.3-2.7112.8
266T40.6Very low44.3Very low122 Ų122138.6 Ų138.675%0.74875%0.747SS**  cis-169.3159.98.5110000111.5
267S39.9Very low44.6Very low99 Ų99143.9 Ų143.969%0.69276%0.763SS**  trans76.3118.8147.6-153.40000121.5
268S44Very low44.2Very low101 Ų101145.1 Ų145.171%0.70676%0.76SS**  44.9121.6128.9-35.70000119.4
269K48.3Very low44.5Very low205 Ų205144.8 Ų144.889%0.89176%0.761SS**  -165.6159.469.2-94.1174.8172.9173.70112.9
270E43.5Very low45Very low180 Ų180144.6 Ų144.684%0.84176%0.755SS**  trans-61.5157.2164-59.7166.793.200112.8
271M50.6Low45.4Very low172 Ų172145.9 Ų145.985%0.84775%0.752SS**  trans166.2104.4136.8-85.3-87.7151.900107.1
272N45.8Very low45.7Very low106 Ų106147.3 Ų147.357%0.56775%0.75SS**  89.595.175.1-178.173.9000114.4
273K46.7Very low46.3Very low163 Ų163150.6 Ų150.671%0.70975%0.752SS**  trans68.3142138.4-70178.4-163.1134.40122.3
274R44Very low46.3Very low225 Ų225148.6 Ų148.685%0.84975%0.75SS**  trans72.6149.6147.3-73.3162.2-179.4-115.30.7115.9
275S44.2Very low46.5Very low84 Ų84147.5 Ų147.559%0.58775%0.749SS**  cis-174.6167.1-10.644.20000109.4
276H47.2Very low46.7Very low154 Ų154144 Ų14471%0.71375%0.746SS**  trans68.4138.8173.3-62.2-76000114.3
277H48.9Very low47.1Very low185 Ų185146 Ų14686%0.85675%0.747SS**  cis-140.2145.649.8-91.5-97000115.1
278D38.4Very low47.9Very low141 Ų141146.8 Ų146.875%0.75475%0.748SS**  trans-67.4140.1152.5-72.8-79.5000110.2
279S50.5Low48.2Very low111 Ų111149.4 Ų149.478%0.77675%0.754SS**  trans-151.2134.4131.5-164.50000109.6
280V46.8Very low48.2Very low114 Ų114144.3 Ų144.369%0.69174%0.744SS**  trans-71.2151.4169.2-70.60000110.2
281D53.4Low48.5Very low152 Ų152141.2 Ų141.281%0.81374%0.74SS**  trans-147.4130.1146.5-95-45.9000109.3
282I46.3Very low48.3Very low134 Ų134140.1 Ų140.169%0.68774%0.737SS**  trans-106.7126.1-178.2-65.4171000106.9
283H61.6Low48.4Very low181 Ų181143.3 Ų143.384%0.83875%0.748SS**  trans-125.1105.9166.6-85.8-71.8000109.9
284D48Very low48.8Very low121 Ų121144.8 Ų144.865%0.64775%0.754SS**  trans-71.3153.2169-97.6-72.9000111.8
285N46.1Very low49.3Very low125 Ų125143 Ų14367%0.66875%0.752SS**  trans31.4133.8152.6-45.5-57.4000118.7
286D47Very low49.5Very low148 Ų148146.9 Ų146.979%0.79177%0.766SS**  -170.5170.565.1-104.6-55.9000113.6
287E47.5Very low50.1Low165 Ų165148.1 Ų148.177%0.77177%0.769SS**  trans89.6135.3141.1-109.2-17111600125.1
288V57.3Low50.5Low115 Ų115148.8 Ų148.870%0.69777%0.77SS**  trans55.9102.9153.1-820000124.3
289D51.1Low51.4Low156 Ų156149.9 Ų149.983%0.83477%0.77SS**  101.6139.8111.4-139.3-3.7000120.8
290S47.2Very low51.9Low98 Ų98153.9 Ų153.969%0.68577%0.773SS**  trans-91.1166.1179.2-65.20000111.2
291P50.4Low52.8Low116 Ų116158.4 Ų158.475%0.75378%0.783SS**  -153.6134.2101.133.6-13.6000117.9
292L46.9Very low53Low149 Ų149159.1 Ų159.178%0.7878%0.782SS**  57.9107127.1-56.6174.4000121.9
293H46.3Very low53.4Low173 Ų173157.7 Ų157.780%0.80178%0.784SS**  62.3106.2112.3-125.1-102.7000119.6
294K55.3Low53.7Low194 Ų194158.3 Ų158.384%0.84378%0.784SS**  trans-149.392.1158.1-104.4144.7-166.5169.10115.4
295K54.2Low54.1Low186 Ų186161.1 Ų161.181%0.80979%0.793SS**  trans57.795.4134.7-58.8177.3-178.6-179.60119.3
296L48.5Very low55Low167 Ų167164.7 Ų164.787%0.87480%0.803SS**  trans-74.1125150.4-84.192000111
297K59.7Low55.6Low179 Ų179166 Ų16678%0.77880%0.804SS**  trans-99.5107.1162.6-85.2-175.2172.6-179.60110.2H299K297-H299 PolarHBondContact O-N 3.12Å
298K58Low56.6Low200 Ų200168.1 Ų168.187%0.8781%0.81SS**  trans-72.8118.7170.5-68.9178.2177.1177.30109.7
299H58.2Low57Low164 Ų164171.3 Ų171.376%0.75982%0.817SS**  trans-106.9110.8170.8-83.2-80.8000111.6K297 K301K297-H299 PolarHBondContact O-N 3.12Å; H299-K301 PolarHBondContact O-N 2.62Å
300K59.9Low57.6Low195 Ų195173 Ų17385%0.84882%0.817SS**  trans-75.2111.3177.3-171.5170.6-177.3173.30109.5
301K65Low58.3Low208 Ų208173.9 Ų173.990%0.90482%0.823SS**PPolyproline II helixtrans-88.5131.8173.3-80.9-177.3176.7174.80110.5H299H299-K301 PolarHBondContact O-N 2.62Å
302H59.3Low59Low167 Ų167177.1 Ų177.177%0.77383%0.825SS**PPolyproline II helixtrans-80.3132-177.9-72.5-108.1000111.6
303S54.3Low59.7Low105 Ų105183.4 Ų183.473%0.73485%0.846SS**PPolyproline II helixtrans-67.7134.8163.8-178.80000110
304K67.6Low60.3Low194 Ų194183.9 Ų183.984%0.84385%0.848SS**  trans-125.2100.6167.6-79.9-171.1174.9-178.70109.1
305H56.2Low60.6Low179 Ų179183.4 Ų183.483%0.82985%0.849SS**  trans-56.1140.2162.2-91.4-99.2000110.2
306K65.4Low61Low201 Ų201183.2 Ų183.287%0.87485%0.851SS**  trans-130.9138.9157.9-94.4-165.4171-171.90110.5
307H60.6Low61.7Low176 Ų176184.2 Ų184.282%0.81585%0.85SS**  trans-64.8144.1-173.9-76.7-113.8000112.7
308K67.6Low61.8Low209 Ų209184.5 Ų184.591%0.90985%0.854SS**  trans-101.6100.2164.6-152.9173.5-170.4177.20107.5K310K308-K310 PolarHBondContact O-N 3.34Å
309H65.7Low62.1Low181 Ų181183.5 Ų183.584%0.83885%0.853SS**  trans-67.4130.7171.7-89.1-96.4000109.6
310K64.1Low62.3Low193 Ų193184.9 Ų184.984%0.83986%0.86SS**  trans-106.797.1178.5-169.2174.1-173.3174.90107.3K308K308-K310 PolarHBondContact O-N 3.34Å
311S62.2Low62.5Low116 Ų116184.1 Ų184.181%0.81186%0.861SS**  trans-69.9133.3171.8-155.60000109.2
312K65.3Low62.3Low183 Ų183182.1 Ų182.180%0.79686%0.857SS**  trans-114.7149.8169.6-91.7-175.8170.2-176.50107.5
313K60Low62.6Low281 Ų281183.5 Ų183.5100%1.22287%0.865SS**  trans70.60-168.8-65.3-175.8171.1-176.90113.2

Retrieved 313 of 313 residues in 201.2 ms (Link to these results)