A0A087XWM2_POEFO Loading...

Small integral membrane protein 26

AlphaFold DB , UniProt , Accession A0A087XWM2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 97 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
1M51.7Low77.2Confident237 Ų237138 Ų138100%1.16766%0.664SS**  0118.90-84.7178.1171.100108
2T59.2Low78.4Confident93 Ų93138.3 Ų138.357%0.57165%0.653SS**  trans-89130.6-172-100000108.5K4 D5T2-K4 PolarHBondContact O-N 3.06Å; T2-D5 PolarHBondContact O-N 3.13Å
3I63Low79.6Confident142 Ų142133.2 Ų133.273%0.72864%0.637SS**THydrogen-bonded Turntrans-57.7-11.5-174-58156.1000113.3P6I3-P6 VanDerWaalsContact O-CD 3.32Å; I3-P6 WeakPolarHBondContact O-CD 3.23Å; I3-P6 VanDerWaalsContact O-CG 3.32Å; I3-P6 WeakPolarHBondContact O-CG 3.48Å
4K68.2Low80.7Confident163 Ų163128.4 Ų128.471%0.70962%0.624SS**Hα-helixtrans-74-25.8176.2-61.1-177.3179.3-176.30113.8T2 K8T2-K4 PolarHBondContact O-N 3.06Å; K4-K8 WeakPolarHBondContact O-CB 3.49Å; K4-K8 PolarHBondContact O-N 3.38Å
5D78.3Confident81.6Confident94 Ų94122.5 Ų122.550%0.50361%0.605SS.*Hα-helixtrans-64.1-47.4-177.6-60.7-33.9000113.1T2 I7 K8 W9T2-D5 PolarHBondContact O-N 3.13Å; D5-I7 PolarHBondContact O-N 3.36Å; D5-K8 PolarHBondContact O-N 2.98Å; D5-W9 WeakPolarHBondContact O-CB 3.28Å; D5-W9 PolarHBondContact O-N 3.23Å
6P81.6Confident82.6Confident81 Ų81121.4 Ų121.453%0.52661%0.607SS.*Hα-helixtrans-67.9-34.4177.524.8-35.1000113.5I3 W9 N10I3-P6 VanDerWaalsContact O-CD 3.32Å; I3-P6 WeakPolarHBondContact O-CD 3.23Å; I3-P6 VanDerWaalsContact O-CG 3.32Å; I3-P6 WeakPolarHBondContact O-CG 3.48Å; P6-W9 PolarHBondContact O-N 2.84Å; P6-N10 WeakPolarHBondContact O-CB 3.35Å; P6-N10 PolarHBondContact O-N 3.42Å
7I86.1Confident83.4Confident114 Ų114124.6 Ų124.659%0.58561%0.611SS**Hα-helixtrans-68.1-44.1178.4-65.4164.9000110.3D5 W9 N10 Y11D5-I7 PolarHBondContact O-N 3.36Å; I7-W9 VanDerWaalsContact C-N 3.29Å; I7-W9 PolarHBondContact O-N 3.47Å; I7-N10 PolarHBondContact O-N 3.5Å; I7-Y11 PolarHBondContact O-N 2.85Å
8K87.1Confident84.1Confident124 Ų124120.7 Ų120.754%0.53960%0.602SS.*Hα-helixtrans-63.5-36.4176.3-170.5176.7-176.8-179.50111.8K4 D5 R12K4-K8 WeakPolarHBondContact O-CB 3.49Å; K4-K8 PolarHBondContact O-N 3.38Å; D5-K8 PolarHBondContact O-N 2.98Å; K8-R12 WeakPolarHBondContact O-CG 3.39Å; K8-R12 PolarHBondContact O-N 2.96Å
9W89.3Confident84.8Confident178 Ų178120.7 Ų120.767%0.67460%0.604SS**Hα-helixtrans-65.4-47.8174-177.6-104.7000112D5 P6 I7 Y11 R12 V13D5-W9 WeakPolarHBondContact O-CB 3.28Å; D5-W9 PolarHBondContact O-N 3.23Å; P6-W9 PolarHBondContact O-N 2.84Å; I7-W9 VanDerWaalsContact C-N 3.29Å; I7-W9 PolarHBondContact O-N 3.47Å; W9-Y11 VanDerWaalsContact C-N 3.33Å; W9-Y11 PolarHBondContact O-N 2.89Å; W9-R12 PolarHBondContact O-N 3.15Å; W9-V13 HydrophobicContact CD2-CG2 4.25Å; W9-V13 HydrophobicContact CG-CG2 4.5Å; W9-V13 HydrophobicContact CZ2-CG2 4.1Å; W9-V13 WeakPolarHBondContact O-CG2 3.43Å; W9-V13 PolarHBondContact O-N 2.87Å
10N90.9Very high85.4Confident111 Ų111116.1 Ų116.159%0.59459%0.589SS**Hα-helixtrans-57.4-46.3178.1-172.1-51.6000111.4P6 I7 R12 V13 S14P6-N10 WeakPolarHBondContact O-CB 3.35Å; P6-N10 PolarHBondContact O-N 3.42Å; I7-N10 PolarHBondContact O-N 3.5Å; N10-R12 VanDerWaalsContact C-N 3.34Å; N10-R12 PolarHBondContact O-N 3.2Å; N10-V13 PolarHBondContact O-N 3.48Å; N10-S14 VanDerWaalsContact O-CB 3.25Å; N10-S14 WeakPolarHBondContact O-CB 3.4Å; N10-S14 PolarHBondContact O-N 3.48Å
11Y93.6Very high85.9Confident181 Ų181113.2 Ų113.271%0.7158%0.577SS**Hα-helixtrans-60.4-41.8178.8-170-96.9000112.8I7 W9 S14 A15I7-Y11 PolarHBondContact O-N 2.85Å; W9-Y11 VanDerWaalsContact C-N 3.33Å; W9-Y11 PolarHBondContact O-N 2.89Å; Y11-S14 PolarHBondContact O-N 3.37Å; Y11-A15 WeakPolarHBondContact O-CB 3.43Å; Y11-A15 PolarHBondContact O-N 2.97Å
12R91.7Very high88.1Confident141 Ų141110.7 Ų110.753%0.53255%0.554SS.*Hα-helixtrans-64.3-46.1177.6-72.9171.5173.4-166.6-6.6111.8K8 W9 N10 A15 V16K8-R12 WeakPolarHBondContact O-CG 3.39Å; K8-R12 PolarHBondContact O-N 2.96Å; W9-R12 PolarHBondContact O-N 3.15Å; N10-R12 VanDerWaalsContact C-N 3.34Å; N10-R12 PolarHBondContact O-N 3.2Å; R12-A15 PolarHBondContact O-N 3.39Å; R12-V16 WeakPolarHBondContact O-CG2 3.31Å; R12-V16 PolarHBondContact O-N 3.16Å; R12-V16 VanDerWaalsContact O-N 3.15Å
13V94.8Very high89.8Confident73 Ų73110.6 Ų110.644%0.44255%0.554SS.*Hα-helixtrans-67-41178.91770000110.9W9 N10 A15 V16 Y17W9-V13 HydrophobicContact CD2-CG2 4.25Å; W9-V13 HydrophobicContact CG-CG2 4.5Å; W9-V13 HydrophobicContact CZ2-CG2 4.1Å; W9-V13 WeakPolarHBondContact O-CG2 3.43Å; W9-V13 PolarHBondContact O-N 2.87Å; N10-V13 PolarHBondContact O-N 3.48Å; V13-A15 VanDerWaalsContact C-N 3.33Å; V13-A15 PolarHBondContact O-N 3.43Å; V13-V16 PolarHBondContact O-N 3.1Å; V13-Y17 PolarHBondContact O-N 3.22Å
14S94Very high91.4Very high65 Ų65109.6 Ų109.646%0.45555%0.549SS..Hα-helixtrans-62.5-39.2175.9-173.10000112.1N10 Y11 Y17 A18N10-S14 VanDerWaalsContact O-CB 3.25Å; N10-S14 WeakPolarHBondContact O-CB 3.4Å; N10-S14 PolarHBondContact O-N 3.48Å; Y11-S14 PolarHBondContact O-N 3.37Å; S14-Y17 PolarHBondContact O-N 3.39Å; S14-A18 WeakPolarHBondContact O-CB 3.37Å; S14-A18 PolarHBondContact O-N 2.93Å
15A95.1Very high92.8Very high41 Ų41106.6 Ų106.634%0.33954%0.54SS..Hα-helixtrans-64.8-43.3176.400000111.8Y11 R12 V13 Y17 A18 L19Y11-A15 WeakPolarHBondContact O-CB 3.43Å; Y11-A15 PolarHBondContact O-N 2.97Å; R12-A15 PolarHBondContact O-N 3.39Å; V13-A15 VanDerWaalsContact C-N 3.33Å; V13-A15 PolarHBondContact O-N 3.43Å; A15-Y17 VanDerWaalsContact C-N 3.31Å; A15-Y17 PolarHBondContact O-N 2.83Å; A15-A18 PolarHBondContact O-N 3.26Å; A15-L19 WeakPolarHBondContact O-CB 3.5Å; A15-L19 VanDerWaalsContact O-CG 3.32Å; A15-L19 WeakPolarHBondContact O-CG 3.49Å; A15-L19 PolarHBondContact O-N 3.39Å
16V96.6Very high93.6Very high105 Ų105103.9 Ų103.964%0.63653%0.534SS*.Hα-helixtrans-61.3-42.6175.1173.80000110.9R12 V13 L19 G20R12-V16 WeakPolarHBondContact O-CG2 3.31Å; R12-V16 PolarHBondContact O-N 3.16Å; R12-V16 VanDerWaalsContact O-N 3.15Å; V13-V16 PolarHBondContact O-N 3.1Å; V16-L19 PolarHBondContact O-N 3.43Å; V16-G20 PolarHBondContact O-N 2.93Å
17Y96.1Very high94.1Very high175 Ų175103.1 Ų103.169%0.68653%0.531SS*.Hα-helixtrans-65.3-46178.7-162.8-95.6000111.9V13 S14 A15 L19 G20 V21V13-Y17 PolarHBondContact O-N 3.22Å; S14-Y17 PolarHBondContact O-N 3.39Å; A15-Y17 VanDerWaalsContact C-N 3.31Å; A15-Y17 PolarHBondContact O-N 2.83Å; Y17-L19 PolarHBondContact O-N 3.01Å; Y17-G20 PolarHBondContact O-N 2.95Å; Y17-V21 HydrophobicContact CD1-CG2 3.95Å; Y17-V21 HydrophobicContact CE1-CG2 3.69Å; Y17-V21 WeakPolarHBondContact O-CG2 3.34Å; Y17-V21 PolarHBondContact O-N 3.47Å
18A96.3Very high94.4Very high54 Ų54104.4 Ų104.445%0.44653%0.529SS..Hα-helixtrans-59.4-45.9177.200000111.6S14 A15 G20 V21 W22S14-A18 WeakPolarHBondContact O-CB 3.37Å; S14-A18 PolarHBondContact O-N 2.93Å; A15-A18 PolarHBondContact O-N 3.26Å; A18-G20 PolarHBondContact O-N 3.23Å; A18-V21 PolarHBondContact O-N 3.35Å; A18-W22 WeakPolarHBondContact O-CB 3.33Å; A18-W22 PolarHBondContact O-N 2.69Å
19L96.9Very high94.6Very high121 Ų121101.2 Ų101.263%0.63453%0.526SS*.Hα-helixtrans-60.7-43.5175.6-71.6174.2000111.8A15 V16 Y17 W22 T23A15-L19 WeakPolarHBondContact O-CB 3.5Å; A15-L19 VanDerWaalsContact O-CG 3.32Å; A15-L19 WeakPolarHBondContact O-CG 3.49Å; A15-L19 PolarHBondContact O-N 3.39Å; V16-L19 PolarHBondContact O-N 3.43Å; Y17-L19 PolarHBondContact O-N 3.01Å; L19-W22 PolarHBondContact O-N 3.07Å; L19-T23 VanDerWaalsContact O-CG2 3.31Å; L19-T23 WeakPolarHBondContact O-CG2 3.3Å; L19-T23 PolarHBondContact O-N 2.86Å; L19-T23 PolarHBondContact O-OG1 2.9Å
20G96.6Very high94.7Very high29 Ų2998.8 Ų98.830%0.29952%0.52SS..Hα-helixtrans-63.2-41.8177.700000113.5V16 Y17 A18 T23 I24V16-G20 PolarHBondContact O-N 2.93Å; Y17-G20 PolarHBondContact O-N 2.95Å; A18-G20 PolarHBondContact O-N 3.23Å; G20-T23 WeakPolarHBondContact CA-OG1 3.44Å; G20-T23 PolarHBondContact O-OG1 3.13Å; G20-I24 WeakPolarHBondContact O-CG1 3.3Å; G20-I24 PolarHBondContact O-N 2.87Å
21V97.1Very high94.6Very high55 Ų5596.1 Ų96.133%0.33351%0.506SS..Hα-helixtrans-65.6-42175.9175.20000110.4Y17 A18 I24 L25Y17-V21 HydrophobicContact CD1-CG2 3.95Å; Y17-V21 HydrophobicContact CE1-CG2 3.69Å; Y17-V21 WeakPolarHBondContact O-CG2 3.34Å; Y17-V21 PolarHBondContact O-N 3.47Å; A18-V21 PolarHBondContact O-N 3.35Å; V21-I24 PolarHBondContact O-N 3.48Å; V21-L25 PolarHBondContact O-N 2.93Å
22W96.7Very high94.2Very high184 Ų18493.1 Ų93.170%0.69750%0.496SS*.Hα-helixtrans-68.4-33.6179.8-120.2-131.5000113.5A18 L19 L25 G26A18-W22 WeakPolarHBondContact O-CB 3.33Å; A18-W22 PolarHBondContact O-N 2.69Å; L19-W22 PolarHBondContact O-N 3.07Å; W22-L25 HydrophobicContact CE3-CD2 4.44Å; W22-L25 HydrophobicContact CH2-CD2 4.48Å; W22-L25 HydrophobicContact CZ3-CD2 4.07Å; W22-G26 WeakPolarHBondContact O-CA 3.48Å; W22-G26 PolarHBondContact O-N 2.94Å
23T96.5Very high93.9Very high92 Ų9296.1 Ų96.156%0.56451%0.509SS*.Hα-helixtrans-69-39.5175.252.80000111.8L19 G20 S27L19-T23 VanDerWaalsContact O-CG2 3.31Å; L19-T23 WeakPolarHBondContact O-CG2 3.3Å; L19-T23 PolarHBondContact O-N 2.86Å; L19-T23 PolarHBondContact O-OG1 2.9Å; G20-T23 WeakPolarHBondContact CA-OG1 3.44Å; G20-T23 PolarHBondContact O-OG1 3.13Å; T23-S27 WeakPolarHBondContact O-CB 3.48Å; T23-S27 PolarHBondContact O-N 2.88Å
24I96.3Very high93.4Very high121 Ų12195.4 Ų95.462%0.62151%0.505SS*.Hα-helixtrans-64.4-49.8174.9-65.2167.7000110.2G20 V21 G26 S27 Y28G20-I24 WeakPolarHBondContact O-CG1 3.3Å; G20-I24 PolarHBondContact O-N 2.87Å; V21-I24 PolarHBondContact O-N 3.48Å; I24-G26 VanDerWaalsContact C-N 3.35Å; I24-G26 PolarHBondContact O-N 2.86Å; I24-S27 PolarHBondContact O-N 2.92Å; I24-Y28 WeakPolarHBondContact O-CB 3.48Å; I24-Y28 PolarHBondContact O-N 3.24Å
25L96.3Very high92.5Very high99 Ų9993.6 Ų93.652%0.51850%0.497SS..Hα-helixtrans-60.3-45.3178.5-124.276.2000111.6V21 W22 Y28 A29V21-L25 PolarHBondContact O-N 2.93Å; W22-L25 HydrophobicContact CE3-CD2 4.44Å; W22-L25 HydrophobicContact CH2-CD2 4.48Å; W22-L25 HydrophobicContact CZ3-CD2 4.07Å; L25-Y28 PolarHBondContact O-N 2.88Å; L25-A29 WeakPolarHBondContact O-CB 3.46Å; L25-A29 PolarHBondContact O-N 2.72Å
26G95.3Very high91.1Very high38 Ų38100 Ų10039%0.39251%0.512SS..Hα-helixtrans-64.8-43.3178.700000112.4W22 I24 Y28 A29 F30W22-G26 WeakPolarHBondContact O-CA 3.48Å; W22-G26 PolarHBondContact O-N 2.94Å; I24-G26 VanDerWaalsContact C-N 3.35Å; I24-G26 PolarHBondContact O-N 2.86Å; G26-Y28 VanDerWaalsContact C-N 3.35Å; G26-Y28 PolarHBondContact O-N 3.28Å; G26-A29 PolarHBondContact O-N 3.36Å; G26-F30 WeakPolarHBondContact O-CB 3.27Å; G26-F30 PolarHBondContact O-N 2.65Å
27S92.5Very high89.5Confident64 Ų6499.2 Ų99.245%0.44850%0.504SS..Hα-helixtrans-62.9-42.3175.4-174.20000111.4T23 I24 F30 L31T23-S27 WeakPolarHBondContact O-CB 3.48Å; T23-S27 PolarHBondContact O-N 2.88Å; I24-S27 PolarHBondContact O-N 2.92Å; S27-F30 PolarHBondContact O-N 3.45Å; S27-L31 WeakPolarHBondContact O-CB 3.44Å; S27-L31 VanDerWaalsContact O-CG 3.27Å; S27-L31 WeakPolarHBondContact O-CG 3.41Å; S27-L31 PolarHBondContact O-N 2.78Å
28Y91.8Very high87.9Confident141 Ų14196.8 Ų96.855%0.55350%0.503SS*.Hα-helixtrans-64.7-48177.5179.4-101.3000111.7I24 L25 G26 F30 L31 K32 L37I24-Y28 WeakPolarHBondContact O-CB 3.48Å; I24-Y28 PolarHBondContact O-N 3.24Å; L25-Y28 PolarHBondContact O-N 2.88Å; G26-Y28 VanDerWaalsContact C-N 3.35Å; G26-Y28 PolarHBondContact O-N 3.28Å; Y28-F30 VanDerWaalsContact C-N 3.31Å; Y28-F30 PolarHBondContact O-N 2.79Å; Y28-L31 PolarHBondContact O-N 2.77Å; Y28-K32 HydrophobicContact CE1-CD 4.4Å; Y28-K32 WeakPolarHBondContact O-CB 3.41Å; Y28-K32 PolarHBondContact O-N 3.23Å; Y28-L37 HydrophobicContact CD2-CD1 4.25Å; Y28-L37 HydrophobicContact CE2-CD1 3.98Å
29A91.9Very high86.2Confident57 Ų5799.5 Ų99.547%0.47151%0.51SS..Hα-helixtrans-61.2-40.1176.900000112L25 G26 K32 Y33L25-A29 WeakPolarHBondContact O-CB 3.46Å; L25-A29 PolarHBondContact O-N 2.72Å; G26-A29 PolarHBondContact O-N 3.36Å; A29-K32 PolarHBondContact O-N 3.33Å; A29-Y33 VanDerWaalsContact O-CB 3.27Å; A29-Y33 WeakPolarHBondContact O-CB 3.35Å; A29-Y33 PolarHBondContact O-N 2.83Å
30F91.6Very high84.1Confident127 Ų12798.3 Ų98.356%0.55751%0.51SS*.Hα-helixtrans-64.7-46176.3178-98.9000112.4G26 S27 Y28 K32 Y33 T34G26-F30 WeakPolarHBondContact O-CB 3.27Å; G26-F30 PolarHBondContact O-N 2.65Å; S27-F30 PolarHBondContact O-N 3.45Å; Y28-F30 VanDerWaalsContact C-N 3.31Å; Y28-F30 PolarHBondContact O-N 2.79Å; F30-K32 VanDerWaalsContact C-N 3.31Å; F30-K32 PolarHBondContact O-N 3.46Å; F30-Y33 PolarHBondContact O-N 2.71Å; F30-T34 HydrophobicContact CD1-CG2 4.48Å; F30-T34 HydrophobicContact CD2-CG2 4.31Å; F30-T34 HydrophobicContact CE1-CG2 4.06Å; F30-T34 HydrophobicContact CE2-CG2 3.88Å; F30-T34 HydrophobicContact CZ-CG2 3.75Å; F30-T34 WeakPolarHBondContact O-CB 3.1Å; F30-T34 WeakPolarHBondContact O-CG2 3.32Å; F30-T34 PolarHBondContact O-N 2.9Å; F30-T34 PolarHBondContact O-OG1 2.65Å
31L89Confident82Confident56 Ų56103 Ų10329%0.29353%0.532SS..Hα-helixtrans-64.2-37.8177.1-73.8174.4000112.1S27 Y28 T34 G35 R36 L37S27-L31 WeakPolarHBondContact O-CB 3.44Å; S27-L31 VanDerWaalsContact O-CG 3.27Å; S27-L31 WeakPolarHBondContact O-CG 3.41Å; S27-L31 PolarHBondContact O-N 2.78Å; Y28-L31 PolarHBondContact O-N 2.77Å; L31-T34 WeakPolarHBondContact CA-OG1 3.42Å; L31-T34 PolarHBondContact O-OG1 3.14Å; L31-G35 PolarHBondContact O-N 2.59Å; L31-R36 HydrophobicContact CD2-CB 4.48Å; L31-R36 PolarHBondContact O-N 2.94Å; L31-L37 HydrophobicContact CB-CD1 3.87Å; L31-L37 HydrophobicContact CB-CG 4.01Å
32K85.5Confident79.5Confident117 Ų117105 Ų10551%0.50954%0.544SS..Hα-helixtrans-66.6-45.2173.6-171.1172-176.1174.20111.7Y28 A29 F30 T34 G35 L37Y28-K32 HydrophobicContact CE1-CD 4.4Å; Y28-K32 WeakPolarHBondContact O-CB 3.41Å; Y28-K32 PolarHBondContact O-N 3.23Å; A29-K32 PolarHBondContact O-N 3.33Å; F30-K32 VanDerWaalsContact C-N 3.31Å; F30-K32 PolarHBondContact O-N 3.46Å; K32-T34 VanDerWaalsContact C-N 3.35Å; K32-T34 PolarHBondContact O-N 3.32Å; K32-G35 PolarHBondContact O-N 3.46Å; K32-L37 HydrophobicContact CB-CD1 4.24Å
33Y85.1Confident77Confident205 Ų205103 Ų10380%0.80455%0.547SS*.Hα-helixtrans-64.9-37.8179177.9-101.8000112.7A29 F30 G35A29-Y33 VanDerWaalsContact O-CB 3.27Å; A29-Y33 WeakPolarHBondContact O-CB 3.35Å; A29-Y33 PolarHBondContact O-N 2.83Å; F30-Y33 PolarHBondContact O-N 2.71Å; Y33-G35 PolarHBondContact O-N 3.28Å
34T84.9Confident74.4Confident58 Ų58104.9 Ų104.936%0.35655%0.549SS..THydrogen-bonded Turntrans-77.11.817850.40000113.6F30 L31 K32 R36F30-T34 HydrophobicContact CD1-CG2 4.48Å; F30-T34 HydrophobicContact CD2-CG2 4.31Å; F30-T34 HydrophobicContact CE1-CG2 4.06Å; F30-T34 HydrophobicContact CE2-CG2 3.88Å; F30-T34 HydrophobicContact CZ-CG2 3.75Å; F30-T34 WeakPolarHBondContact O-CB 3.1Å; F30-T34 WeakPolarHBondContact O-CG2 3.32Å; F30-T34 PolarHBondContact O-N 2.9Å; F30-T34 PolarHBondContact O-OG1 2.65Å; L31-T34 WeakPolarHBondContact CA-OG1 3.42Å; L31-T34 PolarHBondContact O-OG1 3.14Å; K32-T34 VanDerWaalsContact C-N 3.35Å; K32-T34 PolarHBondContact O-N 3.32Å; T34-R36 PolarHBondContact O-N 3.17Å; T34-R36 VanDerWaalsContact O-N 3.16Å
35G74Confident71.8Confident27 Ų27108.5 Ų108.528%0.27856%0.561SS.*THydrogen-bonded Turntrans72.8-0.4176.200000115.1L31 K32 Y33 L37 D38 D39L31-G35 PolarHBondContact O-N 2.59Å; K32-G35 PolarHBondContact O-N 3.46Å; Y33-G35 PolarHBondContact O-N 3.28Å; G35-L37 PolarHBondContact O-N 3.09Å; G35-L37 VanDerWaalsContact O-N 3.1Å; G35-D38 PolarHBondContact O-N 3.1Å; G35-D38 VanDerWaalsContact O-N 3.09Å; G35-D39 PolarHBondContact O-N 3.31Å
36R66.1Low69.1Low174 Ų174110.6 Ų110.666%0.65757%0.566SS**THydrogen-bonded Turntrans-68.9-11-174.8-61.1-176.972.4158.33.7114.3L31 T34L31-R36 HydrophobicContact CD2-CB 4.48Å; L31-R36 PolarHBondContact O-N 2.94Å; T34-R36 PolarHBondContact O-N 3.17Å; T34-R36 VanDerWaalsContact O-N 3.16Å
37L62.9Low67Low90 Ų90117.8 Ų117.847%0.47159%0.589SS.*THydrogen-bonded Turntrans-97.6-22.1176-67174.7000112.8Y28 L31 K32 G35Y28-L37 HydrophobicContact CD2-CD1 4.25Å; Y28-L37 HydrophobicContact CE2-CD1 3.98Å; L31-L37 HydrophobicContact CB-CD1 3.87Å; L31-L37 HydrophobicContact CB-CG 4.01Å; K32-L37 HydrophobicContact CB-CD1 4.24Å; G35-L37 PolarHBondContact O-N 3.09Å; G35-L37 VanDerWaalsContact O-N 3.1Å
38D61.9Low65.1Low123 Ų123118.2 Ų118.266%0.65858%0.584SS**THydrogen-bonded Turntrans-97.2-8.1-179.4-69-34.2000112.2G35 P40G35-D38 PolarHBondContact O-N 3.1Å; G35-D38 VanDerWaalsContact O-N 3.09Å; D38-P40 WeakPolarHBondContact O-CD 3.49Å
39D60.4Low63.4Low111 Ų111116.1 Ų116.159%0.59459%0.588SS**SBendtrans-54.6111.9164.1-75.6-35.6000106.7G35 V41G35-D39 PolarHBondContact O-N 3.31Å; D39-V41 PolarHBondContact O-N 2.75Å; D39-V41 VanDerWaalsContact O-N 3.14Å
40P53.5Low61.8Low97 Ų97122.9 Ų122.963%0.6361%0.61SS**  trans-54.3134.4167.422.6-27.8000104.5D38 V42D38-P40 WeakPolarHBondContact O-CD 3.49Å; P40-V42 HydrophobicContact CB-CG2 4.34Å; P40-V42 HydrophobicContact CG-CG2 3.86Å; P40-V42 PolarHBondContact O-N 3.16Å
41V52Low60.2Low126 Ų126119.9 Ų119.976%0.76460%0.6SS**  trans-58.982.7156.2-1800000103.9D39 N43D39-V41 PolarHBondContact O-N 2.75Å; D39-V41 VanDerWaalsContact O-N 3.14Å; V41-N43 PolarHBondContact O-N 2.89Å
42V46.1Very low59.2Low98 Ų98122.4 Ų122.459%0.59462%0.619SS**  trans-59.5101.2165.4-180000099.6P40 Q44P40-V42 HydrophobicContact CB-CG2 4.34Å; P40-V42 HydrophobicContact CG-CG2 3.86Å; P40-V42 PolarHBondContact O-N 3.16Å; V42-Q44 HydrophobicContact CG1-CB 3.88Å; V42-Q44 PolarHBondContact O-N 3.27Å
43N44.4Very low58.3Low141 Ų141119.2 Ų119.275%0.75461%0.608SS**  trans-57.772.4152.6-69.2-71.8000104.5V41 K45V41-N43 PolarHBondContact O-N 2.89Å; N43-K45 PolarHBondContact O-N 3.47Å
44Q41.3Very low57.8Low132 Ų132112.7 Ų112.762%0.61758%0.583SS**  trans-68.490.6168.9-164.7172.312.300100.1V42 F46V42-Q44 HydrophobicContact CG1-CB 3.88Å; V42-Q44 PolarHBondContact O-N 3.27Å; Q44-F46 HydrophobicContact CB-CD2 4.33Å; Q44-F46 VanDerWaalsContact CD-CD2 3.46Å; Q44-F46 VanDerWaalsContact CD-CE2 3.4Å; Q44-F46 HydrophobicContact CG-CD2 3.66Å; Q44-F46 HydrophobicContact CG-CE2 4.15Å; Q44-F46 PolarHBondContact O-N 3.21Å
45K40.8Very low57.5Low198 Ų198114 Ų11486%0.86159%0.585SS**  trans-56.682.4149.5-72-177.4178.3-179.20103.8N43 E47N43-K45 PolarHBondContact O-N 3.47Å; K45-E47 PolarHBondContact O-N 2.96Å
46F41.2Very low57.8Low143 Ų143115.8 Ų115.863%0.62759%0.591SS**  trans-56.198.8156.1-115.5-92.9000102.5Q44 E48Q44-F46 HydrophobicContact CB-CD2 4.33Å; Q44-F46 VanDerWaalsContact CD-CD2 3.46Å; Q44-F46 VanDerWaalsContact CD-CE2 3.4Å; Q44-F46 HydrophobicContact CG-CD2 3.66Å; Q44-F46 HydrophobicContact CG-CE2 4.15Å; Q44-F46 PolarHBondContact O-N 3.21Å; F46-E48 PolarHBondContact O-N 3.48Å
47E49.4Very low58.6Low189 Ų189113.9 Ų113.988%0.88358%0.584SS**  trans-60.583.1147.3-84.6-179.2163.300104.7K45K45-E47 PolarHBondContact O-N 2.96Å
48E54.2Low59.6Low73 Ų73115.9 Ų115.934%0.34159%0.591SS.*  trans-64.3123.7175.6-164.6171.7-152.300105.3F46 E50 K54F46-E48 PolarHBondContact O-N 3.48Å; E48-E50 PolarHBondContact O-N 2.87Å; E48-K54 IonicContact OE2-NZ 2.72Å; E48-K54 PolarHBondContact OE2-NZ 3.32Å
49P56.2Low60.7Low96 Ų96114.8 Ų114.862%0.62359%0.589SS**  trans-51.4144.2174.223.4-33.1000108.3N51P49-N51 VanDerWaalsContact C-N 3.25Å; P49-N51 PolarHBondContact O-N 3.22Å; P49-N51 PolarHBondContact O-ND2 2.92Å
50E56.7Low61.7Low199 Ų199113.8 Ų113.893%0.9360%0.596SS**  trans-55.888.3-174.4-141.6176.8-16600109.9E48E48-E50 PolarHBondContact O-N 2.87Å
51N58.7Low63.3Low65 Ų65118.1 Ų118.135%0.34861%0.608SS.*  trans-75.4123.3-178.4-94-65000106.7P49 N53 K54P49-N51 VanDerWaalsContact C-N 3.25Å; P49-N51 PolarHBondContact O-N 3.22Å; P49-N51 PolarHBondContact O-ND2 2.92Å; N51-N53 PolarHBondContact O-N 3.38Å; N51-K54 HydrophobicContact CB-CB 4.42Å; N51-K54 VanDerWaalsContact O-CB 3.31Å; N51-K54 WeakPolarHBondContact O-CB 3.5Å; N51-K54 PolarHBondContact O-N 3.47Å
52P67.4Low64.8Low109 Ų109115.1 Ų115.171%0.70859%0.593SS**THydrogen-bonded Turntrans-60.9-14.3-178.923.8-33.2000113.2
53N66.7Low66.9Low50 Ų50116.5 Ų116.527%0.26759%0.591SS.*THydrogen-bonded Turntrans-94.911.1179-63.7-24.9000114.1N51 Y68 E70N51-N53 PolarHBondContact O-N 3.38Å; N53-Y68 PolarHBondContact O-N 3.49Å; N53-Y68 VanDerWaalsContact O-N 3.15Å; N53-E70 WeakPolarHBondContact ND2-CG 3.31Å; N53-E70 PolarHBondContact ND2-OE1 3.22Å
54K75.3Confident68.8Low67 Ų67113.3 Ų113.329%0.29158%0.576SS.*EExtended strand (participates in β ladder)trans-98.8112179.5-173.7170.2-172.7164.20110E48 N51 V56 I65 I66 V67E48-K54 IonicContact OE2-NZ 2.72Å; E48-K54 PolarHBondContact OE2-NZ 3.32Å; N51-K54 HydrophobicContact CB-CB 4.42Å; N51-K54 VanDerWaalsContact O-CB 3.31Å; N51-K54 WeakPolarHBondContact O-CB 3.5Å; N51-K54 PolarHBondContact O-N 3.47Å; K54-V56 HydrophobicContact CG-CG2 4.35Å; K54-I65 HydrophobicContact CD-CG2 4.24Å; K54-I65 HydrophobicContact CG-CG2 3.93Å; K54-I66 WeakPolarHBondContact CA-O 3.41Å; K54-V67 HydrophobicContact CG-CG2 4.25Å
55H77.8Confident70.8Confident86 Ų86111 Ų11140%0.39857%0.568SS.*EExtended strand (participates in β ladder)trans-105.6119.3175.4-63.9-84.9000109.9Y57 I66 Y68H55-Y57 HydrophobicContact CB-CE2 3.95Å; H55-I66 PolarHBondContact N-O 3Å; H55-I66 PolarHBondContact O-N 3.44Å; H55-Y68 AromaticContact CD2-CD2 3.75Å; H55-Y68 AromaticContact CD2-CE2 3.51Å
56V82Confident72.7Confident64 Ų64104.5 Ų104.539%0.38854%0.541SS..EExtended strand (participates in β ladder)trans-104.1121.3178.2-173.50000108.8K54 E58 K63 T64 I65K54-V56 HydrophobicContact CG-CG2 4.35Å; V56-E58 HydrophobicContact CG1-CG 3.74Å; V56-K63 HydrophobicContact CG1-CD 4.42Å; V56-K63 HydrophobicContact CG1-CG 4.05Å; V56-T64 WeakPolarHBondContact CA-O 3.5Å; V56-I65 HydrophobicContact CG1-CG1 4.42Å; V56-I65 HydrophobicContact CG2-CG1 4.42Å
57Y82.3Confident74.8Confident134 Ų134101 Ų10153%0.52553%0.532SS..EExtended strand (participates in β ladder)trans-106.6115171.2-63.5-87.8000108.1H55 T64 I66H55-Y57 HydrophobicContact CB-CE2 3.95Å; Y57-T64 PolarHBondContact N-O 2.85Å; Y57-T64 PolarHBondContact O-N 3.37Å; Y57-I66 HydrophobicContact CD2-CD1 4.05Å; Y57-I66 HydrophobicContact CD2-CG1 4.36Å; Y57-I66 HydrophobicContact CE2-CD1 3.73Å; Y57-I66 HydrophobicContact CE2-CG1 4.34Å
58E83.3Confident76.2Confident132 Ų13298.5 Ų98.562%0.61752%0.515SS*.EExtended strand (participates in β ladder)trans-106.8127.3177.6-57.5-166161.400109.6V56 K63V56-E58 HydrophobicContact CG1-CG 3.74Å; E58-K63 HydrophobicContact CG-CG 4.27Å; E58-K63 WeakPolarHBondContact OE1-CD 3.19Å; E58-K63 VanDerWaalsContact OE1-CE 3.3Å; E58-K63 WeakPolarHBondContact OE1-CE 3.19Å; E58-K63 IonicContact OE1-NZ 2.83Å; E58-K63 PolarHBondContact OE1-NZ 3.46Å
59T84.3Confident77.3Confident100 Ų100102.5 Ų102.561%0.61353%0.532SS*.EExtended strand (participates in β ladder)trans-119.2164.7170.2-53.40000107.6H61 S62T59-H61 PolarHBondContact O-N 3.4Å; T59-S62 PolarHBondContact N-O 2.92Å; T59-S62 PolarHBondContact O-N 2.83Å
60A82.9Confident78.1Confident90 Ų90104.2 Ų104.274%0.74453%0.531SS*.THydrogen-bonded Turntrans-50.4-24.3-176.900000115.5
61H87.2Confident78.8Confident188 Ų188102.2 Ų102.287%0.8753%0.527SS*.THydrogen-bonded Turntrans-128.5-1.3-177.2-56.4-56.2000114.6T59T59-H61 PolarHBondContact O-N 3.4Å
62S82.4Confident79.6Confident64 Ų64103.7 Ų103.745%0.44853%0.53SS..EExtended strand (participates in β ladder)trans-147.6140.2-173.859.70000112.2T59T59-S62 PolarHBondContact N-O 2.92Å; T59-S62 PolarHBondContact O-N 2.83Å
63K89.6Confident80.1Confident127 Ų127101.1 Ų101.155%0.55251%0.513SS*.EExtended strand (participates in β ladder)trans-117.1110.6172.4178.3166.7-179143.60108.7V56 E58 I65V56-K63 HydrophobicContact CG1-CD 4.42Å; V56-K63 HydrophobicContact CG1-CG 4.05Å; E58-K63 HydrophobicContact CG-CG 4.27Å; E58-K63 WeakPolarHBondContact OE1-CD 3.19Å; E58-K63 VanDerWaalsContact OE1-CE 3.3Å; E58-K63 WeakPolarHBondContact OE1-CE 3.19Å; E58-K63 IonicContact OE1-NZ 2.83Å; E58-K63 PolarHBondContact OE1-NZ 3.46Å; K63-I65 HydrophobicContact CG-CG1 4.2Å
64T85Confident80.9Confident74 Ų74101.5 Ų101.545%0.45452%0.517SS..EExtended strand (participates in β ladder)trans-102.4122.9176.3-58.10000108.8V56 Y57 I66V56-T64 WeakPolarHBondContact CA-O 3.5Å; Y57-T64 PolarHBondContact N-O 2.85Å; Y57-T64 PolarHBondContact O-N 3.37Å; T64-I66 HydrophobicContact CG2-CG1 4.17Å
65I84.1Confident81.2Confident84 Ų84105.6 Ų105.643%0.43153%0.532SS..EExtended strand (participates in β ladder)trans-110.4111178.7-56.4175.9000107.3K54 V56 K63 V67K54-I65 HydrophobicContact CD-CG2 4.24Å; K54-I65 HydrophobicContact CG-CG2 3.93Å; V56-I65 HydrophobicContact CG1-CG1 4.42Å; V56-I65 HydrophobicContact CG2-CG1 4.42Å; K63-I65 HydrophobicContact CG-CG1 4.2Å; I65-V67 HydrophobicContact CG2-CG2 3.89Å
66I81.3Confident81.5Confident60 Ų60105.6 Ų105.631%0.30854%0.542SS..EExtended strand (participates in β ladder)trans-97.8116.5174.1-53.9-175.9000107.5K54 H55 Y57 T64 Y68K54-I66 WeakPolarHBondContact CA-O 3.41Å; H55-I66 PolarHBondContact N-O 3Å; H55-I66 PolarHBondContact O-N 3.44Å; Y57-I66 HydrophobicContact CD2-CD1 4.05Å; Y57-I66 HydrophobicContact CD2-CG1 4.36Å; Y57-I66 HydrophobicContact CE2-CD1 3.73Å; Y57-I66 HydrophobicContact CE2-CG1 4.34Å; T64-I66 HydrophobicContact CG2-CG1 4.17Å; I66-Y68 HydrophobicContact CG2-CD2 4.28Å; I66-Y68 HydrophobicContact CG2-CE1 4.25Å; I66-Y68 HydrophobicContact CG2-CE2 3.8Å
67V83.8Confident81.5Confident71 Ų71110 Ų11043%0.4355%0.551SS.*EExtended strand (participates in β ladder)trans-110.3109.9176.2-174.30000108.1K54 I65K54-V67 HydrophobicContact CG-CG2 4.25Å; I65-V67 HydrophobicContact CG2-CG2 3.89Å
68Y78.6Confident81.6Confident136 Ų136109.3 Ų109.353%0.53355%0.548SS..PPolyproline II helixtrans-79.6121.4173.1-64.2-80.6000109.5N53 H55 I66N53-Y68 PolarHBondContact O-N 3.49Å; N53-Y68 VanDerWaalsContact O-N 3.15Å; H55-Y68 AromaticContact CD2-CD2 3.75Å; H55-Y68 AromaticContact CD2-CE2 3.51Å; I66-Y68 HydrophobicContact CG2-CD2 4.28Å; I66-Y68 HydrophobicContact CG2-CE1 4.25Å; I66-Y68 HydrophobicContact CG2-CE2 3.8Å
69K77.5Confident81.8Confident157 Ų157107.9 Ų107.968%0.68354%0.543SS*.PPolyproline II helixtrans-84.3121.8177.7-177.3168.7-176.8172.20109.8F72K69-F72 HydrophobicContact CB-CB 4.18Å; K69-F72 HydrophobicContact CD-CD2 4.29Å; K69-F72 HydrophobicContact CG-CB 4.44Å; K69-F72 PolarHBondContact O-N 2.83Å
70E72.9Confident81.8Confident132 Ų132109.9 Ų109.962%0.61754%0.541SS*.THydrogen-bonded Turntrans-59.6138.7172.3-62.7-176172.300109.6N53 F72N53-E70 WeakPolarHBondContact ND2-CG 3.31Å; N53-E70 PolarHBondContact ND2-OE1 3.22Å; E70-F72 VanDerWaalsContact C-N 3.27Å; E70-F72 PolarHBondContact O-N 3.41Å
71D72.6Confident81.9Confident156 Ų156109.4 Ų109.483%0.83453%0.526SS*.THydrogen-bonded Turntrans6024.8-178.8-54.5-42.7000116.4V73D71-V73 PolarHBondContact O-N 2.9Å
72F75.9Confident81.8Confident97 Ų97107.1 Ų107.143%0.42551%0.513SS..  trans-69.599.3174.6-171.9-98.3000111.9K69 E70 P74 Y75K69-F72 HydrophobicContact CB-CB 4.18Å; K69-F72 HydrophobicContact CD-CD2 4.29Å; K69-F72 HydrophobicContact CG-CB 4.44Å; K69-F72 PolarHBondContact O-N 2.83Å; E70-F72 VanDerWaalsContact C-N 3.27Å; E70-F72 PolarHBondContact O-N 3.41Å; F72-P74 WeakPolarHBondContact O-CD 3.36Å; F72-Y75 HydrophobicContact CE2-CE2 4.23Å; F72-Y75 HydrophobicContact CZ-CD2 4.02Å; F72-Y75 AromaticContact CZ-CE2 3.83Å; F72-Y75 HydrophobicContact CZ-CE2 3.83Å
73V76.8Confident82Confident55 Ų55108.9 Ų108.933%0.33352%0.517SS..  trans-75.4119.6166.1-178.70000109D71 Y75 R77 R78D71-V73 PolarHBondContact O-N 2.9Å; V73-Y75 PolarHBondContact O-N 2.92Å; V73-R77 HydrophobicContact CG1-CB 3.74Å; V73-R77 HydrophobicContact CG1-CG 3.9Å; V73-R78 HydrophobicContact CB-CG 4.31Å; V73-R78 HydrophobicContact CG1-CG 3.87Å; V73-R78 PolarHBondContact O-NE 3.38Å
74P84.4Confident81.6Confident57 Ų57108.9 Ų108.937%0.3752%0.517SS..  trans-52.3140.3176.9-27.134.9000111.6F72 S76 R77 R78F72-P74 WeakPolarHBondContact O-CD 3.36Å; P74-S76 WeakPolarHBondContact CB-OG 3.27Å; P74-S76 PolarHBondContact O-N 3.37Å; P74-S76 VanDerWaalsContact O-N 3.13Å; P74-R77 HydrophobicContact CB-CB 4.46Å; P74-R77 WeakPolarHBondContact O-CA 3.47Å; P74-R77 WeakPolarHBondContact O-CB 3.4Å; P74-R77 PolarHBondContact O-N 2.83Å; P74-R78 PolarHBondContact O-N 3.04Å; P74-R78 VanDerWaalsContact O-N 3.1Å
75Y81.4Confident81.5Confident154 Ų154109.3 Ų109.360%0.60452%0.523SS*.Hα-helixtrans-53.8-36.3178.6-72.2-75.9000112.3F72 V73 R77 R78 I79F72-Y75 HydrophobicContact CE2-CE2 4.23Å; F72-Y75 HydrophobicContact CZ-CD2 4.02Å; F72-Y75 AromaticContact CZ-CE2 3.83Å; F72-Y75 HydrophobicContact CZ-CE2 3.83Å; V73-Y75 PolarHBondContact O-N 2.92Å; Y75-R77 VanDerWaalsContact C-N 3.31Å; Y75-R77 PolarHBondContact O-N 3.48Å; Y75-R78 WeakPolarHBondContact O-CB 3.37Å; Y75-R78 PolarHBondContact O-N 2.94Å; Y75-R78 VanDerWaalsContact O-N 3.16Å; Y75-I79 WeakPolarHBondContact O-CD1 3.48Å; Y75-I79 VanDerWaalsContact O-CG1 3.3Å; Y75-I79 WeakPolarHBondContact O-CG1 3.39Å; Y75-I79 PolarHBondContact O-N 3.2Å
76S83.4Confident81.4Confident85 Ų85111.7 Ų111.759%0.59454%0.536SS*.Hα-helixtrans-55.5-43.8172.452.90000112.6P74 I79 Y80P74-S76 WeakPolarHBondContact CB-OG 3.27Å; P74-S76 PolarHBondContact O-N 3.37Å; P74-S76 VanDerWaalsContact O-N 3.13Å; S76-I79 PolarHBondContact O-N 3.45Å; S76-Y80 VanDerWaalsContact O-CB 3.28Å; S76-Y80 WeakPolarHBondContact O-CB 3.36Å; S76-Y80 PolarHBondContact O-N 3.47Å
77R82.7Confident81.1Confident157 Ų157113.2 Ų113.259%0.59255%0.552SS**Hα-helixtrans-70.2-33.5178-168.1168.2-170.9-174.22.9112.1V73 P74 Y75 N81V73-R77 HydrophobicContact CG1-CB 3.74Å; V73-R77 HydrophobicContact CG1-CG 3.9Å; P74-R77 HydrophobicContact CB-CB 4.46Å; P74-R77 WeakPolarHBondContact O-CA 3.47Å; P74-R77 WeakPolarHBondContact O-CB 3.4Å; P74-R77 PolarHBondContact O-N 2.83Å; Y75-R77 VanDerWaalsContact C-N 3.31Å; Y75-R77 PolarHBondContact O-N 3.48Å; R77-N81 WeakPolarHBondContact O-CB 3.32Å; R77-N81 PolarHBondContact O-N 3.27Å; R77-N81 PolarHBondContact O-ND2 3.49Å
78R84.3Confident80Confident120 Ų120113.1 Ų113.145%0.45357%0.565SS.*Hα-helixtrans-65.4-47.5173.1-63.2-177.6-174-172.5-4.6111.7V73 P74 Y75 N81 F82V73-R78 HydrophobicContact CB-CG 4.31Å; V73-R78 HydrophobicContact CG1-CG 3.87Å; V73-R78 PolarHBondContact O-NE 3.38Å; P74-R78 PolarHBondContact O-N 3.04Å; P74-R78 VanDerWaalsContact O-N 3.1Å; Y75-R78 WeakPolarHBondContact O-CB 3.37Å; Y75-R78 PolarHBondContact O-N 2.94Å; Y75-R78 VanDerWaalsContact O-N 3.16Å; R78-N81 PolarHBondContact O-N 3.36Å; R78-F82 WeakPolarHBondContact O-CB 3.25Å; R78-F82 PolarHBondContact O-N 3.31Å
79I86.3Confident79.1Confident102 Ų102109.9 Ų109.952%0.52357%0.573SS.*Hα-helixtrans-64.2-44.6178.6-65.3160.9000110.3Y75 S76 N81 F82 I83Y75-I79 WeakPolarHBondContact O-CD1 3.48Å; Y75-I79 VanDerWaalsContact O-CG1 3.3Å; Y75-I79 WeakPolarHBondContact O-CG1 3.39Å; Y75-I79 PolarHBondContact O-N 3.2Å; S76-I79 PolarHBondContact O-N 3.45Å; I79-N81 PolarHBondContact O-N 3.15Å; I79-F82 WeakPolarHBondContact O-CB 3.36Å; I79-F82 PolarHBondContact O-N 3.01Å; I79-I83 HydrophobicContact CG2-CD1 3.73Å; I79-I83 HydrophobicContact CG2-CG1 4.4Å; I79-I83 WeakPolarHBondContact O-CG1 3.32Å; I79-I83 PolarHBondContact O-N 3.3Å
80Y85.6Confident77.8Confident141 Ų141107.3 Ų107.355%0.55358%0.575SS**Hα-helixtrans-58.6-47.5175.5174.5-100.5000112.1S76 F82 I83 K84S76-Y80 VanDerWaalsContact O-CB 3.28Å; S76-Y80 WeakPolarHBondContact O-CB 3.36Å; S76-Y80 PolarHBondContact O-N 3.47Å; Y80-F82 VanDerWaalsContact C-N 3.32Å; Y80-F82 PolarHBondContact O-N 3.39Å; Y80-I83 PolarHBondContact O-N 3.43Å; Y80-K84 HydrophobicContact CE1-CD 4.11Å; Y80-K84 VanDerWaalsContact O-CB 3.23Å; Y80-K84 WeakPolarHBondContact O-CB 3.33Å; Y80-K84 PolarHBondContact O-N 3.49Å
81N84.2Confident76.7Confident81 Ų81104.8 Ų104.843%0.43359%0.585SS.*Hα-helixtrans-62.7-38.8177.2-73.8-11.3000112R77 R78 I79 K84 S85R77-N81 WeakPolarHBondContact O-CB 3.32Å; R77-N81 PolarHBondContact O-N 3.27Å; R77-N81 PolarHBondContact O-ND2 3.49Å; R78-N81 PolarHBondContact O-N 3.36Å; I79-N81 PolarHBondContact O-N 3.15Å; N81-K84 PolarHBondContact O-N 2.8Å; N81-S85 WeakPolarHBondContact O-CB 3.46Å; N81-S85 PolarHBondContact O-N 2.88Å; N81-S85 PolarHBondContact O-OG 3.37Å
82F84.9Confident75.3Confident139 Ų139102 Ų10261%0.6158%0.583SS**Hα-helixtrans-62.1-51.5175.7179.7-101.8000111.5R78 I79 Y80 K84 S85 L86R78-F82 WeakPolarHBondContact O-CB 3.25Å; R78-F82 PolarHBondContact O-N 3.31Å; I79-F82 WeakPolarHBondContact O-CB 3.36Å; I79-F82 PolarHBondContact O-N 3.01Å; Y80-F82 VanDerWaalsContact C-N 3.32Å; Y80-F82 PolarHBondContact O-N 3.39Å; F82-K84 VanDerWaalsContact C-N 3.34Å; F82-K84 PolarHBondContact O-N 3.28Å; F82-S85 PolarHBondContact O-N 3.4Å; F82-S85 PolarHBondContact O-OG 2.96Å; F82-L86 PolarHBondContact O-N 3.46Å
83I86Confident74.1Confident102 Ų102101.2 Ų101.252%0.52360%0.603SS.*Hα-helixtrans-61.9-42.8178-64.7168.3000110.9I79 Y80 S85 L86 S87I79-I83 HydrophobicContact CG2-CD1 3.73Å; I79-I83 HydrophobicContact CG2-CG1 4.4Å; I79-I83 WeakPolarHBondContact O-CG1 3.32Å; I79-I83 PolarHBondContact O-N 3.3Å; Y80-I83 PolarHBondContact O-N 3.43Å; I83-S85 PolarHBondContact O-N 3.38Å; I83-L86 WeakPolarHBondContact O-CB 3.32Å; I83-L86 PolarHBondContact O-N 2.93Å; I83-S87 PolarHBondContact O-N 3.44Å
84K81.9Confident72.3Confident127 Ų127105.8 Ų105.855%0.55263%0.625SS**Hα-helixtrans-62-42.2176.7-175.4177.2178.6-178.60111.9Y80 N81 F82 L86 S87 G88Y80-K84 HydrophobicContact CE1-CD 4.11Å; Y80-K84 VanDerWaalsContact O-CB 3.23Å; Y80-K84 WeakPolarHBondContact O-CB 3.33Å; Y80-K84 PolarHBondContact O-N 3.49Å; N81-K84 PolarHBondContact O-N 2.8Å; F82-K84 VanDerWaalsContact C-N 3.34Å; F82-K84 PolarHBondContact O-N 3.28Å; K84-L86 PolarHBondContact O-N 2.92Å; K84-S87 PolarHBondContact O-N 3.2Å; K84-G88 PolarHBondContact O-N 3.45Å
85S82.6Confident70.6Confident83 Ų83106.2 Ų106.258%0.5864%0.64SS**Hα-helixtrans-63.5-32.8176.772.10000112.4N81 F82 I83N81-S85 WeakPolarHBondContact O-CB 3.46Å; N81-S85 PolarHBondContact O-N 2.88Å; N81-S85 PolarHBondContact O-OG 3.37Å; F82-S85 PolarHBondContact O-N 3.4Å; F82-S85 PolarHBondContact O-OG 2.96Å; I83-S85 PolarHBondContact O-N 3.38Å
86L82.9Confident69Low134 Ų134105.6 Ų105.670%0.70265%0.647SS**Hα-helixtrans-73.3-37.4175.9-159.973.7000112.1F82 I83 K84F82-L86 PolarHBondContact O-N 3.46Å; I83-L86 WeakPolarHBondContact O-CB 3.32Å; I83-L86 PolarHBondContact O-N 2.93Å; K84-L86 PolarHBondContact O-N 2.92Å
87S75.1Confident66.8Low91 Ų91115.1 Ų115.164%0.63668%0.678SS**Hα-helixtrans-78.1-22.4178.5167.10000114I83 K84 G89I83-S87 PolarHBondContact O-N 3.44Å; K84-S87 PolarHBondContact O-N 3.2Å; S87-G89 VanDerWaalsContact C-N 3.29Å; S87-G89 PolarHBondContact O-N 2.98Å
88G60.9Low66Low70 Ų70113.1 Ų113.172%0.72268%0.682SS**THydrogen-bonded Turntrans-830.5-177.900000115K84K84-G88 PolarHBondContact O-N 3.45Å
89G58.7Low65Low67 Ų67112.7 Ų112.769%0.69169%0.694SS**THydrogen-bonded Turntrans-110.218.3-172.900000115.7S87S87-G89 VanDerWaalsContact C-N 3.29Å; S87-G89 PolarHBondContact O-N 2.98Å
90S49.9Very low63.9Low103 Ų103113.3 Ų113.372%0.7270%0.704SS**  trans-93.798.4165.264.60000108.5A92S90-A92 PolarHBondContact O-N 2.99Å
91G50.3Low62.6Low80 Ų80111.6 Ų111.683%0.82571%0.712SS**  trans-54.8108.8168.800000109.3G93G91-G93 PolarHBondContact O-N 2.82Å
92A42.8Very low61.2Low97 Ų97113.6 Ų113.680%0.80273%0.73SS**  trans-65.5113.4159.200000105.8S90 D94S90-A92 PolarHBondContact O-N 2.99Å; A92-D94 PolarHBondContact O-N 3Å
93G50.3Low59.7Low81 Ų81111.9 Ų111.984%0.83574%0.738SS**  trans-57.7110.8171.400000108.8G91 G95G91-G93 PolarHBondContact O-N 2.82Å; G93-G95 VanDerWaalsContact C-N 3.33Å; G93-G95 PolarHBondContact O-N 3.04Å; G93-G95 VanDerWaalsContact O-N 3.13Å
94D40.1Very low57.8Low150 Ų150112.6 Ų112.680%0.80275%0.753SS**  trans-75.493.6165.9-162.738.7000106.4A92 D96A92-D94 PolarHBondContact O-N 3Å; D94-D96 PolarHBondContact O-N 3.05Å
95G49.1Very low55.9Low66 Ų66111.5 Ų111.568%0.6877%0.769SS**  trans-77.699.9163.500000107.7G93G93-G95 VanDerWaalsContact C-N 3.33Å; G93-G95 PolarHBondContact O-N 3.04Å; G93-G95 VanDerWaalsContact O-N 3.13Å
96D46.3Very low53.7Low142 Ų142113.8 Ų113.876%0.75978%0.784SS**  trans-165.796.8155.2-99.9-24.2000110.4D94D94-D96 PolarHBondContact O-N 3.05Å
97K38.1Very low51Low285 Ų285112 Ų112100%1.23979%0.792SS**  trans176.60138.1-97.3168.1-170.9164.60111.6

Retrieved 97 of 97 residues in 178.1 ms (Link to these results)