Q95PE4_DROME Loading...

GEO07784p1

AlphaFold DB , UniProt , Accession Q95PE4, Species DROME (Drosophila melanogaster, Fruit fly), Gene Mpp6, Length 162 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
1M38.9Very low70.2Confident231 Ų231141.7 Ų141.7100%1.13874%0.741SS**  0115.10-65.6-62.4-178.400107.5S3M1-S3 PolarHBondContact O-N 3.02Å
2P46.4Very low72Confident126 Ų126134.2 Ų134.282%0.81872%0.723SS**  trans-66121.5175.327.8-31.5000108.6K4P2-K4 PolarHBondContact O-N 3.32Å
3S49.2Very low73.5Confident115 Ų115127.3 Ų127.380%0.80469%0.689SS**  trans-63.3119.5175.343.70000108.7M1 S5M1-S3 PolarHBondContact O-N 3.02Å; S3-S5 PolarHBondContact O-N 3.29Å
4K58.1Low75Confident209 Ų209119 Ų11991%0.90964%0.644SS**  trans-66.3102.8173.2-67.8-177.8179.3178.90107.8P2 K6P2-K4 PolarHBondContact O-N 3.32Å; K4-K6 PolarHBondContact O-N 3.1Å
5S72.1Confident76.2Confident111 Ų111115.7 Ų115.778%0.77663%0.626SS**PPolyproline II helixtrans-61.5131.2170.449.80000108.8S3S3-S5 PolarHBondContact O-N 3.29Å
6K74Confident77.5Confident141 Ų141113.2 Ų113.261%0.61361%0.61SS**PPolyproline II helixtrans-57.5139174.7-63.3169.9-175.4166.50108.3K4 R8K4-K6 PolarHBondContact O-N 3.1Å; K6-R8 PolarHBondContact O-N 3.26Å
7P81Confident78.6Confident136 Ų136118.4 Ų118.488%0.88363%0.625SS**PPolyproline II helixtrans-60.5125.5175.825.3-32.7000109.4
8R84.5Confident79.5Confident193 Ų193119.7 Ų119.773%0.72863%0.625SS**  trans-119145.1178.6-65.917973.8177.64.1109.7K6K6-R8 PolarHBondContact O-N 3.26Å
9L87.3Confident80.3Confident97 Ų97115.5 Ų115.551%0.50860%0.603SS.*  trans-65.1146.7171.3-67.8173.3000110.2V13 L14 T22L9-V13 HydrophobicContact CD2-CG1 4.44Å; L9-L14 HydrophobicContact CB-CD2 4.23Å; L9-L14 HydrophobicContact CB-CG 4.11Å; L9-L14 HydrophobicContact CD1-CD2 3.99Å; L9-T22 HydrophobicContact CD1-CG2 4.43Å
10S91.2Very high81Confident69 Ų69113.9 Ų113.948%0.48359%0.592SS.*  trans-66.7151.9176.670.70000110.8G12 V13 L14S10-G12 VanDerWaalsContact C-N 3.29Å; S10-G12 PolarHBondContact O-N 3.28Å; S10-V13 PolarHBondContact O-N 3.31Å; S10-V13 VanDerWaalsContact O-N 3.1Å; S10-V13 VanDerWaalsContact OG-CG2 3.23Å; S10-V13 WeakPolarHBondContact OG-CG2 3.36Å; S10-V13 PolarHBondContact OG-N 3.16Å; S10-L14 PolarHBondContact O-N 3.27Å; S10-L14 VanDerWaalsContact O-N 3.16Å
11R89.1Confident81.6Confident131 Ų131118.7 Ų118.749%0.49460%0.602SS.*Hα-helixtrans-58.2-42.6-179.4-176.955.8179.6-175.2-6.4112.1V13 L14 D15 E27R11-V13 VanDerWaalsContact C-N 3.27Å; R11-V13 PolarHBondContact O-N 3.38Å; R11-L14 PolarHBondContact O-N 3.16Å; R11-L14 VanDerWaalsContact O-N 3.12Å; R11-D15 IonicContact CZ-OD1 3.45Å; R11-D15 IonicContact NE-OD1 3.3Å; R11-D15 PolarHBondContact NE-OD1 3.25Å; R11-D15 IonicContact NE-OD2 2.73Å; R11-D15 PolarHBondContact NE-OD2 3.48Å; R11-D15 IonicContact NH2-OD1 3.53Å; R11-D15 PolarHBondContact O-N 3.47Å; R11-E27 IonicContact CZ-OE1 2.78Å; R11-E27 IonicContact NH1-OE1 2.89Å; R11-E27 PolarHBondContact NH1-OE1 3.44Å; R11-E27 IonicContact NH2-OE1 3.22Å; R11-E27 PolarHBondContact NH2-OE1 3.39Å
12G92.7Very high84.2Confident51 Ų51110 Ų11053%0.52656%0.562SS.*Hα-helixtrans-60.8-33.6177.500000113.6S10S10-G12 VanDerWaalsContact C-N 3.29Å; S10-G12 PolarHBondContact O-N 3.28Å
13V91.6Very high86.4Confident45 Ų45105.6 Ų105.627%0.27353%0.53SS..Hα-helixtrans-70-42.9174.7170.50000111.1L9 S10 R11 D15 M16 M19L9-V13 HydrophobicContact CD2-CG1 4.44Å; S10-V13 PolarHBondContact O-N 3.31Å; S10-V13 VanDerWaalsContact O-N 3.1Å; S10-V13 VanDerWaalsContact OG-CG2 3.23Å; S10-V13 WeakPolarHBondContact OG-CG2 3.36Å; S10-V13 PolarHBondContact OG-N 3.16Å; R11-V13 VanDerWaalsContact C-N 3.27Å; R11-V13 PolarHBondContact O-N 3.38Å; V13-D15 VanDerWaalsContact C-N 3.26Å; V13-D15 PolarHBondContact O-N 3.43Å; V13-M16 HydrophobicContact CB-CE 3.91Å; V13-M16 HydrophobicContact CG1-CE 3.78Å; V13-M16 HydrophobicContact CG2-CE 3.84Å; V13-M16 WeakPolarHBondContact O-CB 3.49Å; V13-M16 PolarHBondContact O-N 3.34Å; V13-M19 HydrophobicContact CG1-CG 4.36Å; V13-M19 WeakPolarHBondContact O-CB 3.37Å; V13-M19 WeakPolarHBondContact O-CG 3.37Å
14L93.2Very high88.5Confident11 Ų11104.6 Ų104.66%0.05852%0.519CS..Hα-helixtrans-65.4-28.9178.6-70.8174.5000113L9 S10 R11 M16 T22 K23 V26L9-L14 HydrophobicContact CB-CD2 4.23Å; L9-L14 HydrophobicContact CB-CG 4.11Å; L9-L14 HydrophobicContact CD1-CD2 3.99Å; S10-L14 PolarHBondContact O-N 3.27Å; S10-L14 VanDerWaalsContact O-N 3.16Å; R11-L14 PolarHBondContact O-N 3.16Å; R11-L14 VanDerWaalsContact O-N 3.12Å; L14-M16 VanDerWaalsContact C-N 3.26Å; L14-M16 PolarHBondContact O-N 3.19Å; L14-T22 HydrophobicContact CD2-CG2 4.14Å; L14-K23 HydrophobicContact CB-CB 4.38Å; L14-V26 HydrophobicContact CD1-CG1 4.15Å; L14-V26 HydrophobicContact CD2-CG2 4.38Å
15D94.1Very high90.2Very high70 Ų70102 Ų10237%0.37451%0.508SS..THydrogen-bonded Turntrans-76.7-10.6178.8-71.4-31.7000113.6R11 V13 Q20 K23R11-D15 IonicContact CZ-OD1 3.45Å; R11-D15 IonicContact NE-OD1 3.3Å; R11-D15 PolarHBondContact NE-OD1 3.25Å; R11-D15 IonicContact NE-OD2 2.73Å; R11-D15 PolarHBondContact NE-OD2 3.48Å; R11-D15 IonicContact NH2-OD1 3.53Å; R11-D15 PolarHBondContact O-N 3.47Å; V13-D15 VanDerWaalsContact C-N 3.26Å; V13-D15 PolarHBondContact O-N 3.43Å; D15-Q20 PolarHBondContact O-NE2 3.31Å; D15-Q20 VanDerWaalsContact O-NE2 3.16Å; D15-K23 IonicContact OD1-NZ 3.76Å; D15-K23 PolarHBondContact OD1-NZ 3.09Å
16M96.4Very high91.1Very high75 Ų7598.6 Ų98.637%0.36948%0.482SS..SBendtrans-64.1143.9176.4-63.6-163.1-92.300111.9V13 L14 F18 M19 Q20V13-M16 HydrophobicContact CB-CE 3.91Å; V13-M16 HydrophobicContact CG1-CE 3.78Å; V13-M16 HydrophobicContact CG2-CE 3.84Å; V13-M16 WeakPolarHBondContact O-CB 3.49Å; V13-M16 PolarHBondContact O-N 3.34Å; L14-M16 VanDerWaalsContact C-N 3.26Å; L14-M16 PolarHBondContact O-N 3.19Å; M16-F18 VanDerWaalsContact C-N 3.25Å; M16-F18 HydrophobicContact CB-CD1 3.82Å; M16-F18 HydrophobicContact CB-CE1 3.47Å; M16-F18 VanDerWaalsContact CB-CE1 3.47Å; M16-F18 HydrophobicContact CB-CZ 4.05Å; M16-F18 HydrophobicContact CE-CE1 3.9Å; M16-F18 HydrophobicContact CE-CZ 3.53Å; M16-F18 HydrophobicContact CG-CE1 4.05Å; M16-F18 HydrophobicContact CG-CZ 4.5Å; M16-F18 PolarHBondContact O-N 3.04Å; M16-F18 VanDerWaalsContact O-N 3.15Å; M16-F18 HydrophobicContact SD-CE1 3.42Å; M16-F18 WeakPolarHBondContact SD-CE1 3.2Å; M16-F18 HydrophobicContact SD-CZ 3.74Å; M16-M19 WeakPolarHBondContact O-CA 3.25Å; M16-M19 PolarHBondContact O-N 2.92Å; M16-Q20 PolarHBondContact O-NE2 3.04Å
17K96Very high91.9Very high201 Ų20195.2 Ų95.287%0.87447%0.469SS*.G310 helixtrans-56.4-35.1-174.5-69-176177.4-179.90113.9M19 Q20K17-M19 VanDerWaalsContact C-N 3.3Å; K17-Q20 VanDerWaalsContact O-CG 3.24Å; K17-Q20 WeakPolarHBondContact O-CG 3Å
18F94.7Very high92.4Very high142 Ų14295.1 Ų95.162%0.62345%0.454SS*.G310 helixtrans-77.1-18.2178.366.8-89.1000113M16M16-F18 VanDerWaalsContact C-N 3.25Å; M16-F18 HydrophobicContact CB-CD1 3.82Å; M16-F18 HydrophobicContact CB-CE1 3.47Å; M16-F18 VanDerWaalsContact CB-CE1 3.47Å; M16-F18 HydrophobicContact CB-CZ 4.05Å; M16-F18 HydrophobicContact CE-CE1 3.9Å; M16-F18 HydrophobicContact CE-CZ 3.53Å; M16-F18 HydrophobicContact CG-CE1 4.05Å; M16-F18 HydrophobicContact CG-CZ 4.5Å; M16-F18 PolarHBondContact O-N 3.04Å; M16-F18 VanDerWaalsContact O-N 3.15Å; M16-F18 HydrophobicContact SD-CE1 3.42Å; M16-F18 WeakPolarHBondContact SD-CE1 3.2Å; M16-F18 HydrophobicContact SD-CZ 3.74Å
19M95.5Very high92.7Very high41 Ų4191.4 Ų91.420%0.20245%0.445CS..G310 helixtrans-91.60.6179.2-74.8-66.898.100114.1V13 M16 K17 R21 T22 K23V13-M19 HydrophobicContact CG1-CG 4.36Å; V13-M19 WeakPolarHBondContact O-CB 3.37Å; V13-M19 WeakPolarHBondContact O-CG 3.37Å; M16-M19 WeakPolarHBondContact O-CA 3.25Å; M16-M19 PolarHBondContact O-N 2.92Å; K17-M19 VanDerWaalsContact C-N 3.3Å; M19-R21 VanDerWaalsContact C-N 3.31Å; M19-R21 PolarHBondContact O-N 3.43Å; M19-T22 CarbonylContact O-C 3.58Å; M19-T22 WeakPolarHBondContact O-CA 3.26Å; M19-T22 WeakPolarHBondContact O-CB 3.44Å; M19-T22 PolarHBondContact O-N 3.49Å; M19-T22 HydrophobicContact SD-CG2 4.45Å; M19-K23 PolarHBondContact O-N 2.91Å
20Q93.2Very high92.8Very high82 Ų8287.9 Ų87.938%0.38343%0.43SS..Hα-helixtrans-56.5-40.8-176.1-63.8-63.3-29.800113.2D15 M16 K17 T22 K23 V24D15-Q20 PolarHBondContact O-NE2 3.31Å; D15-Q20 VanDerWaalsContact O-NE2 3.16Å; M16-Q20 PolarHBondContact O-NE2 3.04Å; K17-Q20 VanDerWaalsContact O-CG 3.24Å; K17-Q20 WeakPolarHBondContact O-CG 3Å; Q20-T22 VanDerWaalsContact C-N 3.33Å; Q20-T22 PolarHBondContact O-N 3.26Å; Q20-K23 PolarHBondContact O-N 3.28Å; Q20-V24 WeakPolarHBondContact O-CG2 3.05Å; Q20-V24 PolarHBondContact O-N 3.35Å
21R93.9Very high92.7Very high216 Ų21689.1 Ų89.182%0.81543%0.431SS*.Hα-helixtrans-62.6-39.4174.3-68.5-177-179.4171.50.2112.4M19 K25M19-R21 VanDerWaalsContact C-N 3.31Å; M19-R21 PolarHBondContact O-N 3.43Å; R21-K25 WeakPolarHBondContact O-CG 3.43Å; R21-K25 PolarHBondContact O-N 3.49Å
22T93.2Very high92.7Very high48 Ų4887.1 Ų87.129%0.29443%0.43SS..Hα-helixtrans-70.4-40.4177.4-51.30000110.8L9 L14 M19 Q20 K25 V26L9-T22 HydrophobicContact CD1-CG2 4.43Å; L14-T22 HydrophobicContact CD2-CG2 4.14Å; M19-T22 CarbonylContact O-C 3.58Å; M19-T22 WeakPolarHBondContact O-CA 3.26Å; M19-T22 WeakPolarHBondContact O-CB 3.44Å; M19-T22 PolarHBondContact O-N 3.49Å; M19-T22 HydrophobicContact SD-CG2 4.45Å; Q20-T22 VanDerWaalsContact C-N 3.33Å; Q20-T22 PolarHBondContact O-N 3.26Å; T22-K25 WeakPolarHBondContact O-CB 3.48Å; T22-K25 PolarHBondContact O-N 3.44Å; T22-V26 HydrophobicContact CG2-CG2 4.23Å; T22-V26 WeakPolarHBondContact O-CG2 3.05Å; T22-V26 PolarHBondContact O-N 2.99Å
23K94.2Very high92.4Very high33 Ų3390.2 Ų90.214%0.14343%0.431CS..Hα-helixtrans-57.3-50.2175.2179177.1173.1172.90111.3L14 D15 M19 Q20 K25 V26 E27L14-K23 HydrophobicContact CB-CB 4.38Å; D15-K23 IonicContact OD1-NZ 3.76Å; D15-K23 PolarHBondContact OD1-NZ 3.09Å; M19-K23 PolarHBondContact O-N 2.91Å; Q20-K23 PolarHBondContact O-N 3.28Å; K23-K25 VanDerWaalsContact C-N 3.28Å; K23-K25 PolarHBondContact O-N 3.04Å; K23-V26 PolarHBondContact O-N 3.05Å; K23-E27 WeakPolarHBondContact CE-OE1 3.48Å; K23-E27 HydrophobicContact CG-CG 4.35Å; K23-E27 WeakPolarHBondContact O-CB 3.42Å; K23-E27 WeakPolarHBondContact O-CG 3.23Å; K23-E27 PolarHBondContact O-N 3.11Å
24V93.4Very high92.1Very high94 Ų9493.8 Ų93.857%0.5745%0.445SS*.Hα-helixtrans-58.4-40.4176.3175.40000111.6Q20 K28Q20-V24 WeakPolarHBondContact O-CG2 3.05Å; Q20-V24 PolarHBondContact O-N 3.35Å; V24-K28 VanDerWaalsContact O-CB 3.26Å; V24-K28 WeakPolarHBondContact O-CB 3.13Å; V24-K28 PolarHBondContact O-N 3.42Å
25K92.6Very high91.7Very high156 Ų15695.4 Ų95.468%0.67846%0.457SS*.Hα-helixtrans-65.7-44.8176.4-72.6179.5-179.9-172.60112.8R21 T22 K23 K28 E29R21-K25 WeakPolarHBondContact O-CG 3.43Å; R21-K25 PolarHBondContact O-N 3.49Å; T22-K25 WeakPolarHBondContact O-CB 3.48Å; T22-K25 PolarHBondContact O-N 3.44Å; K23-K25 VanDerWaalsContact C-N 3.28Å; K23-K25 PolarHBondContact O-N 3.04Å; K25-K28 PolarHBondContact O-N 3.46Å; K25-E29 PolarHBondContact O-N 3.45Å
26V91.3Very high91.2Very high38 Ų38100.7 Ų100.723%0.2347%0.472CS..Hα-helixtrans-68.9-38.9-179.3171.20000111.4L14 T22 K23 E29 A30L14-V26 HydrophobicContact CD1-CG1 4.15Å; L14-V26 HydrophobicContact CD2-CG2 4.38Å; T22-V26 HydrophobicContact CG2-CG2 4.23Å; T22-V26 WeakPolarHBondContact O-CG2 3.05Å; T22-V26 PolarHBondContact O-N 2.99Å; K23-V26 PolarHBondContact O-N 3.05Å; V26-E29 PolarHBondContact O-N 3.32Å; V26-A30 WeakPolarHBondContact O-CB 3.44Å; V26-A30 PolarHBondContact O-N 3.23Å
27E91.1Very high90.6Very high71 Ų71100.2 Ų100.233%0.33248%0.479SS..Hα-helixtrans-66-45.3175-72.9175.317000110.3R11 K23 E29 A30 D31R11-E27 IonicContact CZ-OE1 2.78Å; R11-E27 IonicContact NH1-OE1 2.89Å; R11-E27 PolarHBondContact NH1-OE1 3.44Å; R11-E27 IonicContact NH2-OE1 3.22Å; R11-E27 PolarHBondContact NH2-OE1 3.39Å; K23-E27 WeakPolarHBondContact CE-OE1 3.48Å; K23-E27 HydrophobicContact CG-CG 4.35Å; K23-E27 WeakPolarHBondContact O-CB 3.42Å; K23-E27 WeakPolarHBondContact O-CG 3.23Å; K23-E27 PolarHBondContact O-N 3.11Å; E27-E29 PolarHBondContact O-N 3.31Å; E27-A30 PolarHBondContact O-N 2.88Å; E27-A30 VanDerWaalsContact O-N 3.16Å; E27-D31 VanDerWaalsContact O-CG 3.29Å; E27-D31 PolarHBondContact O-N 3.45Å
28K91.8Very high90.1Very high133 Ų13396.8 Ų96.858%0.57847%0.47SS*.Hα-helixtrans-57.7-45.4173.4-175.2178.7179-179.70112.9V24 K25 A30 D31 D32V24-K28 VanDerWaalsContact O-CB 3.26Å; V24-K28 WeakPolarHBondContact O-CB 3.13Å; V24-K28 PolarHBondContact O-N 3.42Å; K25-K28 PolarHBondContact O-N 3.46Å; K28-A30 VanDerWaalsContact C-N 3.32Å; K28-A30 PolarHBondContact O-N 3.16Å; K28-D31 PolarHBondContact O-N 3.1Å; K28-D32 WeakPolarHBondContact O-CB 3.38Å; K28-D32 VanDerWaalsContact O-CG 3.22Å; K28-D32 PolarHBondContact O-N 2.97Å
29E90.1Very high89.5Confident116 Ų11695.9 Ų95.954%0.54246%0.464SS..Hα-helixtrans-64.1-38.6177.6-174.1-179.8-178.400111.8K25 V26 E27 D32 E33K25-E29 PolarHBondContact O-N 3.45Å; V26-E29 PolarHBondContact O-N 3.32Å; E27-E29 PolarHBondContact O-N 3.31Å; E29-D32 PolarHBondContact O-N 3.06Å; E29-E33 WeakPolarHBondContact O-CB 3.41Å; E29-E33 PolarHBondContact O-N 3.24Å
30A89Confident88.7Confident22 Ų2297.5 Ų97.518%0.18248%0.479CS..Hα-helixtrans-65.8-38.9175.800000112V26 E27 K28 E33 Q34V26-A30 WeakPolarHBondContact O-CB 3.44Å; V26-A30 PolarHBondContact O-N 3.23Å; E27-A30 PolarHBondContact O-N 2.88Å; E27-A30 VanDerWaalsContact O-N 3.16Å; K28-A30 VanDerWaalsContact C-N 3.32Å; K28-A30 PolarHBondContact O-N 3.16Å; A30-E33 PolarHBondContact O-N 3.44Å; A30-Q34 WeakPolarHBondContact O-CB 3.25Å; A30-Q34 VanDerWaalsContact O-CG 3.24Å; A30-Q34 WeakPolarHBondContact O-CG 3.39Å; A30-Q34 PolarHBondContact O-N 3.3Å
31D90.3Very high88.2Confident96 Ų96100.6 Ų100.651%0.51350%0.498SS..Hα-helixtrans-69.4-39.6175.9-67.4-13.8000111.4E27 K28 Q34 S35E27-D31 VanDerWaalsContact O-CG 3.29Å; E27-D31 PolarHBondContact O-N 3.45Å; K28-D31 PolarHBondContact O-N 3.1Å; D31-Q34 PolarHBondContact O-N 2.84Å; D31-S35 VanDerWaalsContact O-CB 3.25Å; D31-S35 WeakPolarHBondContact O-CB 3.41Å; D31-S35 PolarHBondContact O-N 2.82Å; D31-S35 PolarHBondContact O-OG 2.89Å
32D87.9Confident87.5Confident89 Ų8996.8 Ų96.848%0.47649%0.489SS..Hα-helixtrans-64.7-39.7174.3-71.7-19.6000111.3K28 E29 S35 R36K28-D32 WeakPolarHBondContact O-CB 3.38Å; K28-D32 VanDerWaalsContact O-CG 3.22Å; K28-D32 PolarHBondContact O-N 2.97Å; E29-D32 PolarHBondContact O-N 3.06Å; D32-S35 WeakPolarHBondContact CA-OG 3.5Å; D32-S35 PolarHBondContact O-OG 3.34Å; D32-R36 WeakPolarHBondContact O-CB 3.48Å; D32-R36 PolarHBondContact O-N 3.16Å
33E86.3Confident86.8Confident116 Ų11697.9 Ų97.954%0.54249%0.493SS..Hα-helixtrans-71.7-39.4176.9-169.3159.5-141.800111.8E29 A30 A37E29-E33 WeakPolarHBondContact O-CB 3.41Å; E29-E33 PolarHBondContact O-N 3.24Å; A30-E33 PolarHBondContact O-N 3.44Å; E33-A37 WeakPolarHBondContact O-CB 3.38Å; E33-A37 PolarHBondContact O-N 3.04Å
34Q86.6Confident86.1Confident119 Ų119101.6 Ų101.656%0.55651%0.514SS*.Hα-helixtrans-66.5-46.1174.3-76.3177.145.700112.1A30 D31 R36 A37 L38A30-Q34 WeakPolarHBondContact O-CB 3.25Å; A30-Q34 VanDerWaalsContact O-CG 3.24Å; A30-Q34 WeakPolarHBondContact O-CG 3.39Å; A30-Q34 PolarHBondContact O-N 3.3Å; D31-Q34 PolarHBondContact O-N 2.84Å; Q34-R36 VanDerWaalsContact C-N 3.32Å; Q34-R36 PolarHBondContact O-N 3.13Å; Q34-A37 PolarHBondContact O-N 3.39Å; Q34-A37 VanDerWaalsContact O-N 3.15Å; Q34-L38 VanDerWaalsContact O-CG 3.32Å; Q34-L38 WeakPolarHBondContact O-CG 3.34Å; Q34-L38 PolarHBondContact O-N 2.82Å
35S84.2Confident85.4Confident45 Ų45104.4 Ų104.432%0.31552%0.521SS..Hα-helixtrans-61.3-42.8176.359.40000111D31 D32 A37 L38 Y39D31-S35 VanDerWaalsContact O-CB 3.25Å; D31-S35 WeakPolarHBondContact O-CB 3.41Å; D31-S35 PolarHBondContact O-N 2.82Å; D31-S35 PolarHBondContact O-OG 2.89Å; D32-S35 WeakPolarHBondContact CA-OG 3.5Å; D32-S35 PolarHBondContact O-OG 3.34Å; S35-A37 VanDerWaalsContact C-N 3.3Å; S35-A37 PolarHBondContact O-N 3.5Å; S35-L38 PolarHBondContact O-N 2.79Å; S35-Y39 WeakPolarHBondContact O-CD2 3.33Å; S35-Y39 PolarHBondContact O-N 2.8Å
36R83.3Confident84.6Confident181 Ų181105.9 Ų105.968%0.68353%0.527SS*.Hα-helixtrans-62-36.9174.2-172.2172.4-174.71593112.8D32 Q34 S40D32-R36 WeakPolarHBondContact O-CB 3.48Å; D32-R36 PolarHBondContact O-N 3.16Å; Q34-R36 VanDerWaalsContact C-N 3.32Å; Q34-R36 PolarHBondContact O-N 3.13Å; R36-S40 WeakPolarHBondContact O-CB 3.48Å; R36-S40 PolarHBondContact O-N 3.15Å
37A84.4Confident83.9Confident65 Ų65109.5 Ų109.554%0.53754%0.543SS..Hα-helixtrans-72-35.5176.100000112.7E33 Q34 S35 S40E33-A37 WeakPolarHBondContact O-CB 3.38Å; E33-A37 PolarHBondContact O-N 3.04Å; Q34-A37 PolarHBondContact O-N 3.39Å; Q34-A37 VanDerWaalsContact O-N 3.15Å; S35-A37 VanDerWaalsContact C-N 3.3Å; S35-A37 PolarHBondContact O-N 3.5Å; A37-S40 PolarHBondContact O-OG 3.25Å; A37-S40 VanDerWaalsContact O-OG 3.04Å
38L84.2Confident83.2Confident129 Ų129111.1 Ų111.168%0.67555%0.553SS**Hα-helixtrans-67.1-45.3176-72.9169.2000111.5Q34 S35Q34-L38 VanDerWaalsContact O-CG 3.32Å; Q34-L38 WeakPolarHBondContact O-CG 3.34Å; Q34-L38 PolarHBondContact O-N 2.82Å; S35-L38 PolarHBondContact O-N 2.79Å
39Y82Confident82.5Confident124 Ų124110.3 Ų110.349%0.48656%0.556SS.*G310 helixtrans-89.24.2-178.7-60.6-64.8000114.1S35 N41 E42 I43S35-Y39 WeakPolarHBondContact O-CD2 3.33Å; S35-Y39 PolarHBondContact O-N 2.8Å; Y39-N41 PolarHBondContact O-N 3.42Å; Y39-N41 VanDerWaalsContact O-N 3.13Å; Y39-E42 WeakPolarHBondContact CD1-OE2 3.24Å; Y39-E42 PolarHBondContact O-N 3.16Å; Y39-I43 WeakPolarHBondContact O-CG1 3.31Å; Y39-I43 PolarHBondContact O-N 3.03Å
40S80.6Confident81.6Confident74 Ų74108.7 Ų108.752%0.51756%0.557SS.*G310 helixtrans-60.9-26.2-178.8670000113R36 A37R36-S40 WeakPolarHBondContact O-CB 3.48Å; R36-S40 PolarHBondContact O-N 3.15Å; A37-S40 PolarHBondContact O-OG 3.25Å; A37-S40 VanDerWaalsContact O-OG 3.04Å
41N81.1Confident80.9Confident148 Ų148113.2 Ų113.279%0.79158%0.583SS**G310 helixtrans-84.3-19.9178.9-62.2-23.6000112.9Y39Y39-N41 PolarHBondContact O-N 3.42Å; Y39-N41 VanDerWaalsContact O-N 3.13Å
42E80.1Confident80.1Confident136 Ų136112.8 Ų112.864%0.63659%0.587SS**THydrogen-bonded Turntrans-101.3-30.7-175.9-62-177.9173.600112.1Y39 N44Y39-E42 WeakPolarHBondContact CD1-OE2 3.24Å; Y39-E42 PolarHBondContact O-N 3.16Å; E42-N44 PolarHBondContact O-N 3.37Å
43I78.1Confident79.8Confident71 Ų71115.4 Ų115.436%0.36460%0.601SS.*  trans-86.7104.6-177.8-58.9171.5000110.4Y39 M47 L48Y39-I43 WeakPolarHBondContact O-CG1 3.31Å; Y39-I43 PolarHBondContact O-N 3.03Å; I43-M47 HydrophobicContact CG2-CB 4.33Å; I43-L48 HydrophobicContact CG2-CD1 3.59Å; I43-L48 HydrophobicContact CG2-CG 3.73Å
44N80.2Confident79.8Confident110 Ų110117.8 Ų117.859%0.58861%0.61SS**  trans-69.4147.8172-75.6-45.6000111.9E42 K46 M47 L48E42-N44 PolarHBondContact O-N 3.37Å; N44-K46 PolarHBondContact O-N 3.41Å; N44-M47 HydrophobicContact CB-CG 4.47Å; N44-M47 WeakPolarHBondContact O-CB 3.32Å; N44-M47 PolarHBondContact O-N 2.79Å; N44-L48 PolarHBondContact O-N 2.92Å
45Q78.3Confident79.7Confident154 Ų154117.4 Ų117.472%0.7262%0.616SS**Hα-helixtrans-55.7-29.2175.8-166.3177.128.500112.9M47 L48 N49Q45-M47 VanDerWaalsContact C-N 3.29Å; Q45-M47 PolarHBondContact O-N 3.22Å; Q45-L48 PolarHBondContact O-N 3.12Å; Q45-N49 PolarHBondContact O-N 2.86Å
46K75.7Confident79.8Confident186 Ų186122 Ų12281%0.80964%0.641SS**Hα-helixtrans-64.7-30.1174.1-67.3-176.2179.8179.50113.2N44 S50N44-K46 PolarHBondContact O-N 3.41Å; K46-S50 VanDerWaalsContact O-CB 3.23Å; K46-S50 WeakPolarHBondContact O-CB 3.17Å; K46-S50 PolarHBondContact O-N 3.11Å
47M77.6Confident80.1Confident114 Ų114118.1 Ų118.156%0.56263%0.631SS**Hα-helixtrans-78.3-37.5176.9-66.4179.960.500112.1I43 N44 Q45 N49 S50I43-M47 HydrophobicContact CG2-CB 4.33Å; N44-M47 HydrophobicContact CB-CG 4.47Å; N44-M47 WeakPolarHBondContact O-CB 3.32Å; N44-M47 PolarHBondContact O-N 2.79Å; Q45-M47 VanDerWaalsContact C-N 3.29Å; Q45-M47 PolarHBondContact O-N 3.22Å; M47-N49 PolarHBondContact O-N 3.18Å; M47-S50 PolarHBondContact O-N 2.69Å; M47-S50 PolarHBondContact O-OG 3.02Å
48L76.4Confident80.4Confident105 Ų105120.5 Ų120.555%0.5564%0.644SS.*Hα-helixtrans-62.7-34.7175.6-77.6134.4000112.2I43 N44 Q45I43-L48 HydrophobicContact CG2-CD1 3.59Å; I43-L48 HydrophobicContact CG2-CG 3.73Å; N44-L48 PolarHBondContact O-N 2.92Å; Q45-L48 PolarHBondContact O-N 3.12Å
49N76Confident80.7Confident117 Ų117116.6 Ų116.663%0.62663%0.627SS**THydrogen-bonded Turntrans-102.25.2-178.9-63.2-15.7000113.1Q45 M47 T51Q45-N49 PolarHBondContact O-N 2.86Å; M47-N49 PolarHBondContact O-N 3.18Å; N49-T51 PolarHBondContact O-N 3.04Å
50S72.4Confident81.1Confident81 Ų81120 Ų12057%0.56664%0.64SS**  trans-75.684.7176.459.50000108.8K46 M47 S52K46-S50 VanDerWaalsContact O-CB 3.23Å; K46-S50 WeakPolarHBondContact O-CB 3.17Å; K46-S50 PolarHBondContact O-N 3.11Å; M47-S50 PolarHBondContact O-N 2.69Å; M47-S50 PolarHBondContact O-OG 3.02Å; S50-S52 PolarHBondContact O-N 2.94Å
51T72.3Confident81.5Confident118 Ų118119.3 Ų119.372%0.72464%0.636SS**  trans-64.6109.8157.553.10000106.2N49 N53N49-T51 PolarHBondContact O-N 3.04Å; T51-N53 PolarHBondContact O-N 2.78Å
52S74.3Confident81.9Confident87 Ų87117.6 Ų117.661%0.60863%0.625SS**  trans-59.8127169.457.10000107.6S50 F54S50-S52 PolarHBondContact O-N 2.94Å; S52-F54 VanDerWaalsContact CB-O 3.3Å; S52-F54 WeakPolarHBondContact CB-O 3.24Å; S52-F54 PolarHBondContact O-N 3.44Å; S52-F54 VanDerWaalsContact O-N 3.11Å; S52-F54 PolarHBondContact OG-O 3.32Å
53N82.2Confident82.2Confident143 Ų143116 Ų11677%0.76563%0.628SS**SBendtrans-64.4-15.8178.3-64.4-36000112.2T51T51-N53 PolarHBondContact O-N 2.78Å
54F86Confident82.8Confident166 Ų166115.9 Ų115.973%0.72864%0.638SS**  trans-126.4141.6-179.7-50.3-73.3000109.1S52S52-F54 VanDerWaalsContact CB-O 3.3Å; S52-F54 WeakPolarHBondContact CB-O 3.24Å; S52-F54 PolarHBondContact O-N 3.44Å; S52-F54 VanDerWaalsContact O-N 3.11Å; S52-F54 PolarHBondContact OG-O 3.32Å
55V84.2Confident83.2Confident112 Ų112113.6 Ų113.668%0.67964%0.64SS**  trans-111.3123.2168.9179.90000106E57V55-E57 HydrophobicContact CG1-CG 4.25Å
56V87.7Confident83.7Confident140 Ų140111.3 Ų111.385%0.84863%0.632SS**  trans-96.1102.9177.1-178.50000107.3
57E88.4Confident84.3Confident101 Ų101107.5 Ų107.547%0.47262%0.619SS.*  trans-88.6129.3173.1-75.3-63.1163.300110V55 S59 I62V55-E57 HydrophobicContact CG1-CG 4.25Å; E57-S59 VanDerWaalsContact C-N 3.31Å; E57-I62 HydrophobicContact CG-CD1 4.25Å
58S90.8Very high84.7Confident115 Ų115106.7 Ų106.780%0.80462%0.617SS**SBendtrans-77.1-21.2177.358.20000112.6
59S90.7Very high85.3Confident47 Ų47105.1 Ų105.133%0.32963%0.626SS.*  trans-94.6126.5-176.8-178.50000112.2E57 S61E57-S59 VanDerWaalsContact C-N 3.31Å; S59-S61 PolarHBondContact O-N 3.24Å; S59-S61 PolarHBondContact OG-N 3.37Å; S59-S61 PolarHBondContact OG-OG 3.48Å
60Y90.6Very high86.1Confident195 Ų195108.1 Ų108.177%0.76563%0.629SS**Hα-helixtrans-69.7-19.8172.5-61.9-78.5000113.1I62 C63 A64Y60-I62 VanDerWaalsContact C-N 3.27Å; Y60-I62 PolarHBondContact O-N 2.74Å; Y60-C63 PolarHBondContact O-N 2.9Å; Y60-A64 WeakPolarHBondContact O-CB 3.4Å; Y60-A64 PolarHBondContact O-N 2.83Å
61S89.7Confident87Confident59 Ų59107.7 Ų107.741%0.41362%0.62SS.*Hα-helixtrans-61.5-36.1-175.8-54.60000112.6S59 G65 L66S59-S61 PolarHBondContact O-N 3.24Å; S59-S61 PolarHBondContact OG-N 3.37Å; S59-S61 PolarHBondContact OG-OG 3.48Å; S61-G65 WeakPolarHBondContact O-CA 3.01Å; S61-G65 PolarHBondContact O-N 2.97Å; S61-G65 VanDerWaalsContact O-N 3.1Å; S61-L66 PolarHBondContact O-N 3.45Å
62I87.9Confident88Confident113 Ų113102.5 Ų102.558%0.57959%0.588SS**Hα-helixtrans-72.1-47177.9-58.3171.9000109.8E57 Y60 A64 G65E57-I62 HydrophobicContact CG-CD1 4.25Å; Y60-I62 VanDerWaalsContact C-N 3.27Å; Y60-I62 PolarHBondContact O-N 2.74Å; I62-A64 PolarHBondContact O-N 3.37Å; I62-G65 PolarHBondContact O-N 2.73Å
63C87.7Confident88.8Confident103 Ų103105 Ų10570%0.69659%0.588SS**Hα-helixtrans-65.8-38.9-177.4-62.10000113Y60Y60-C63 PolarHBondContact O-N 2.9Å
64A90Very high89.3Confident68 Ų68110.3 Ų110.356%0.56260%0.598SS**THydrogen-bonded Turntrans-93.1-2.2-179.300000113.7Y60 I62 L66Y60-A64 WeakPolarHBondContact O-CB 3.4Å; Y60-A64 PolarHBondContact O-N 2.83Å; I62-A64 PolarHBondContact O-N 3.37Å; A64-L66 VanDerWaalsContact C-N 3.32Å; A64-L66 HydrophobicContact CB-CD2 4.18Å; A64-L66 HydrophobicContact CB-CG 3.97Å; A64-L66 PolarHBondContact O-N 3.32Å
65G87.9Confident89.6Confident61 Ų61104.6 Ų104.663%0.62959%0.585SS**THydrogen-bonded Turntrans62.236.1-179.700000113.7S61 I62S61-G65 WeakPolarHBondContact O-CA 3.01Å; S61-G65 PolarHBondContact O-N 2.97Å; S61-G65 VanDerWaalsContact O-N 3.1Å; I62-G65 PolarHBondContact O-N 2.73Å
66L89Confident90Very high106 Ų106107.4 Ų107.456%0.55559%0.593SS**PPolyproline II helixtrans-69.6140.7-175.6-61.4179000111.5S61 A64S61-L66 PolarHBondContact O-N 3.45Å; A64-L66 VanDerWaalsContact C-N 3.32Å; A64-L66 HydrophobicContact CB-CD2 4.18Å; A64-L66 HydrophobicContact CB-CG 3.97Å; A64-L66 PolarHBondContact O-N 3.32Å
67I88.2Confident90.2Very high106 Ų106103.7 Ų103.754%0.54457%0.569SS.*PPolyproline II helixtrans-81.4165.9169.162.2175.9000110.6L71I67-L71 HydrophobicContact CD1-CD1 4Å; I67-L71 HydrophobicContact CD1-CD2 3.8Å
68D87.3Confident90.5Very high98 Ų98103.2 Ų103.252%0.52457%0.574SS.*PPolyproline II helixtrans-61.9142.8171.4-172.425.9000110.2R70D68-R70 VanDerWaalsContact C-N 3.26Å; D68-R70 PolarHBondContact O-N 3.01Å
69G89.1Confident90.6Very high71 Ų71104.6 Ų104.673%0.73257%0.568SS**SBendtrans-75.4-14.8-174.100000113.7L71G69-L71 PolarHBondContact O-N 3.43Å
70R91.1Very high90.7Very high181 Ų181104.6 Ų104.668%0.68356%0.564SS**  trans-82.699.1177.9-67.6-175.8175.3-143.7-0.9109.7D68D68-R70 VanDerWaalsContact C-N 3.26Å; D68-R70 PolarHBondContact O-N 3.01Å
71L91.7Very high90.8Very high72 Ų7298 Ų9838%0.37754%0.541SS..  trans-115.5140.6178.5-53.7174.6000110.1I67 G69 F73 M84I67-L71 HydrophobicContact CD1-CD1 4Å; I67-L71 HydrophobicContact CD1-CD2 3.8Å; G69-L71 PolarHBondContact O-N 3.43Å; L71-F73 HydrophobicContact CB-CE2 3.81Å; L71-F73 HydrophobicContact CB-CZ 3.79Å; L71-F73 HydrophobicContact CD1-CE2 4.48Å; L71-F73 HydrophobicContact CD1-CZ 3.99Å; L71-F73 HydrophobicContact CG-CZ 4.45Å; L71-M84 HydrophobicContact CB-CE 4.37Å; L71-M84 HydrophobicContact CB-SD 4.32Å; L71-M84 HydrophobicContact CD2-CE 3.4Å; L71-M84 VanDerWaalsContact CD2-CE 3.4Å; L71-M84 HydrophobicContact CD2-SD 3.89Å; L71-M84 HydrophobicContact CG-CE 4.46Å
72S92.7Very high91Very high9 Ų999.3 Ų99.36%0.06354%0.542CS..  trans-126.1150.5166.2-163.20000109.1N77S72-N77 WeakPolarHBondContact OG-CB 3.4Å; S72-N77 PolarHBondContact OG-N 2.84Å
73F91.6Very high91.2Very high138 Ų13898 Ų9861%0.60554%0.536SS*.  trans-140.1150.3-179.7-54.5-76.2000109.7L71 G75 M76 E81L71-F73 HydrophobicContact CB-CE2 3.81Å; L71-F73 HydrophobicContact CB-CZ 3.79Å; L71-F73 HydrophobicContact CD1-CE2 4.48Å; L71-F73 HydrophobicContact CD1-CZ 3.99Å; L71-F73 HydrophobicContact CG-CZ 4.45Å; F73-G75 VanDerWaalsContact C-N 3.3Å; F73-G75 PolarHBondContact O-N 2.78Å; F73-M76 WeakPolarHBondContact O-CB 3.26Å; F73-M76 PolarHBondContact O-N 2.98Å; F73-E81 WeakPolarHBondContact CA-OE1 3.4Å; F73-E81 PolarHBondContact N-OE1 2.93Å
74R93.5Very high91.3Very high255 Ų25595.3 Ų95.396%0.96251%0.514SS*.THydrogen-bonded Turntrans59.735.4171.3-57.6-175.8169-177.8-3.2113.7M76 E81R74-M76 VanDerWaalsContact C-N 3.29Å; R74-M76 PolarHBondContact O-N 3.3Å; R74-E81 PolarHBondContact N-OE1 3.5Å
75G91.6Very high91.4Very high46 Ų4698.5 Ų98.547%0.47452%0.517SS..THydrogen-bonded Turntrans74.115.8175.800000114.2F73 N77 E81F73-G75 VanDerWaalsContact C-N 3.3Å; F73-G75 PolarHBondContact O-N 2.78Å; G75-N77 PolarHBondContact O-N 3.32Å; G75-E81 WeakPolarHBondContact CA-OE1 3.4Å; G75-E81 PolarHBondContact N-OE1 3.25Å; G75-E81 PolarHBondContact N-OE2 3.19Å
76M92.2Very high91.5Very high172 Ų172100.4 Ų100.485%0.84751%0.509SS*.SBendtrans-66.1-29.7177.9-170.6177.8-173.500111.7F73 R74F73-M76 WeakPolarHBondContact O-CB 3.26Å; F73-M76 PolarHBondContact O-N 2.98Å; R74-M76 VanDerWaalsContact C-N 3.29Å; R74-M76 PolarHBondContact O-N 3.3Å
77N93Very high91.6Very high62 Ų6298.3 Ų98.333%0.33250%0.499SS..SBendtrans-148.994.2170.2-170.8-19.4000110.2S72 G75 E79 L80 E81S72-N77 WeakPolarHBondContact OG-CB 3.4Å; S72-N77 PolarHBondContact OG-N 2.84Å; G75-N77 PolarHBondContact O-N 3.32Å; N77-E79 VanDerWaalsContact C-N 3.3Å; N77-E79 PolarHBondContact O-N 2.89Å; N77-E79 PolarHBondContact OD1-N 3.47Å; N77-L80 HydrophobicContact CB-CB 4.16Å; N77-L80 HydrophobicContact CB-CD1 4.08Å; N77-L80 HydrophobicContact CB-CG 4.28Å; N77-L80 WeakPolarHBondContact ND2-CD1 3.39Å; N77-L80 WeakPolarHBondContact ND2-CG 3.39Å; N77-L80 PolarHBondContact O-N 3.16Å; N77-L80 PolarHBondContact OD1-N 2.95Å; N77-E81 PolarHBondContact O-N 3.4Å; N77-E81 VanDerWaalsContact O-N 3.1Å
78P93.6Very high91.6Very high90 Ų9097.7 Ų97.758%0.58450%0.496SS*.Hα-helixtrans-64.8-31.2-174.125.5-34.2000113.5L80 E81 L82P78-L80 VanDerWaalsContact C-N 3.34Å; P78-L80 PolarHBondContact O-N 3.47Å; P78-E81 PolarHBondContact O-N 3.3Å; P78-L82 WeakPolarHBondContact O-CB 3.41Å; P78-L82 PolarHBondContact O-N 2.91Å
79E92.8Very high91.6Very high145 Ų14595.8 Ų95.868%0.67849%0.494SS*.Hα-helixtrans-64.4-39.8176.6-64-73170.100111.3N77 L83N77-E79 VanDerWaalsContact C-N 3.3Å; N77-E79 PolarHBondContact O-N 2.89Å; N77-E79 PolarHBondContact OD1-N 3.47Å; E79-L83 PolarHBondContact O-N 3.46Å; E79-L83 VanDerWaalsContact O-N 3.13Å
80L93.3Very high91.6Very high46 Ų4697.3 Ų97.324%0.24148%0.482CS..Hα-helixtrans-70.5-40.2175.4-74.2-179.9000112.1N77 P78 L82 L83 M84N77-L80 HydrophobicContact CB-CB 4.16Å; N77-L80 HydrophobicContact CB-CD1 4.08Å; N77-L80 HydrophobicContact CB-CG 4.28Å; N77-L80 WeakPolarHBondContact ND2-CD1 3.39Å; N77-L80 WeakPolarHBondContact ND2-CG 3.39Å; N77-L80 PolarHBondContact O-N 3.16Å; N77-L80 PolarHBondContact OD1-N 2.95Å; P78-L80 VanDerWaalsContact C-N 3.34Å; P78-L80 PolarHBondContact O-N 3.47Å; L80-L82 VanDerWaalsContact C-N 3.31Å; L80-L82 PolarHBondContact O-N 2.95Å; L80-L83 PolarHBondContact O-N 2.96Å; L80-M84 WeakPolarHBondContact O-CB 3.24Å; L80-M84 VanDerWaalsContact O-CG 3.28Å; L80-M84 WeakPolarHBondContact O-CG 3.36Å; L80-M84 PolarHBondContact O-N 2.99Å
81E93Very high91.2Very high58 Ų5893.5 Ų93.527%0.27147%0.471SS..Hα-helixtrans-62.2-40.2176.8-67-178.3-179.600111.3F73 R74 G75 N77 P78 M84 E85F73-E81 WeakPolarHBondContact CA-OE1 3.4Å; F73-E81 PolarHBondContact N-OE1 2.93Å; R74-E81 PolarHBondContact N-OE1 3.5Å; G75-E81 WeakPolarHBondContact CA-OE1 3.4Å; G75-E81 PolarHBondContact N-OE1 3.25Å; G75-E81 PolarHBondContact N-OE2 3.19Å; N77-E81 PolarHBondContact O-N 3.4Å; N77-E81 VanDerWaalsContact O-N 3.1Å; P78-E81 PolarHBondContact O-N 3.3Å; E81-M84 PolarHBondContact O-N 3.5Å; E81-E85 PolarHBondContact O-N 2.86Å
82L93.1Very high90.8Very high85 Ų8596.8 Ų96.845%0.44548%0.484SS..Hα-helixtrans-61.9-44.5174179.863.8000112P78 L80 E85 Q86P78-L82 WeakPolarHBondContact O-CB 3.41Å; P78-L82 PolarHBondContact O-N 2.91Å; L80-L82 VanDerWaalsContact C-N 3.31Å; L80-L82 PolarHBondContact O-N 2.95Å; L82-E85 PolarHBondContact O-N 2.98Å; L82-Q86 WeakPolarHBondContact O-CG 3.37Å; L82-Q86 PolarHBondContact O-N 3.44Å
83L92.1Very high90.1Very high85 Ų8599.1 Ų99.145%0.44551%0.509SS..Hα-helixtrans-64.1-41.5176.8-175.164.2000111.5E79 L80 E85 Q86 D87E79-L83 PolarHBondContact O-N 3.46Å; E79-L83 VanDerWaalsContact O-N 3.13Å; L80-L83 PolarHBondContact O-N 2.96Å; L83-E85 VanDerWaalsContact C-N 3.31Å; L83-E85 PolarHBondContact O-N 3.04Å; L83-Q86 PolarHBondContact O-N 3.1Å; L83-D87 PolarHBondContact O-N 3.01Å
84M91.5Very high89.3Confident48 Ų48101.6 Ų101.624%0.23652%0.515CS..Hα-helixtrans-60.6-40.3175.3-73.8176.158.700112L71 L80 E81 L88L71-M84 HydrophobicContact CB-CE 4.37Å; L71-M84 HydrophobicContact CB-SD 4.32Å; L71-M84 HydrophobicContact CD2-CE 3.4Å; L71-M84 VanDerWaalsContact CD2-CE 3.4Å; L71-M84 HydrophobicContact CD2-SD 3.89Å; L71-M84 HydrophobicContact CG-CE 4.46Å; L80-M84 WeakPolarHBondContact O-CB 3.24Å; L80-M84 VanDerWaalsContact O-CG 3.28Å; L80-M84 WeakPolarHBondContact O-CG 3.36Å; L80-M84 PolarHBondContact O-N 2.99Å; E81-M84 PolarHBondContact O-N 3.5Å; M84-L88 VanDerWaalsContact O-CG 3.31Å; M84-L88 WeakPolarHBondContact O-CG 3.2Å; M84-L88 PolarHBondContact O-N 3.38Å; M84-L88 VanDerWaalsContact O-N 3.09Å
85E90.6Very high88Confident134 Ų13494 Ų9463%0.62650%0.497SS*.Hα-helixtrans-65.3-42.7176.2-173.8174.8-16500111.8E81 L82 L83 L88 A89E81-E85 PolarHBondContact O-N 2.86Å; L82-E85 PolarHBondContact O-N 2.98Å; L83-E85 VanDerWaalsContact C-N 3.31Å; L83-E85 PolarHBondContact O-N 3.04Å; E85-L88 PolarHBondContact O-N 2.88Å; E85-A89 WeakPolarHBondContact O-CB 3.48Å; E85-A89 PolarHBondContact O-N 2.84Å
86Q91.6Very high86.6Confident101 Ų101102.6 Ų102.647%0.47252%0.515SS..Hα-helixtrans-61.4-45.2175.6-71.8175.33.500112L82 L83 L88 A89 E90L82-Q86 WeakPolarHBondContact O-CG 3.37Å; L82-Q86 PolarHBondContact O-N 3.44Å; L83-Q86 PolarHBondContact O-N 3.1Å; Q86-L88 VanDerWaalsContact C-N 3.31Å; Q86-L88 PolarHBondContact O-N 3.08Å; Q86-A89 WeakPolarHBondContact O-CB 3.34Å; Q86-A89 PolarHBondContact O-N 2.92Å; Q86-E90 PolarHBondContact O-N 3.4Å
87D89.7Confident85.2Confident63 Ų6399.7 Ų99.734%0.33751%0.509SS..Hα-helixtrans-61.9-38.6177-85.8-3.4000112.3L83 K91L83-D87 PolarHBondContact O-N 3.01Å; D87-K91 WeakPolarHBondContact O-CB 3.32Å; D87-K91 VanDerWaalsContact O-CG 3.27Å; D87-K91 WeakPolarHBondContact O-CG 3.39Å; D87-K91 PolarHBondContact O-N 3.25Å
88L87.9Confident83.9Confident93 Ų93105.2 Ų105.249%0.48753%0.533SS..Hα-helixtrans-65.9-43.2174.1-72.6173.8000111.3M84 E85 Q86 K91 Q92M84-L88 VanDerWaalsContact O-CG 3.31Å; M84-L88 WeakPolarHBondContact O-CG 3.2Å; M84-L88 PolarHBondContact O-N 3.38Å; M84-L88 VanDerWaalsContact O-N 3.09Å; E85-L88 PolarHBondContact O-N 2.88Å; Q86-L88 VanDerWaalsContact C-N 3.31Å; Q86-L88 PolarHBondContact O-N 3.08Å; L88-K91 PolarHBondContact O-N 2.87Å; L88-Q92 WeakPolarHBondContact O-CG 3.19Å; L88-Q92 PolarHBondContact O-N 2.81Å
89A88.7Confident82.6Confident58 Ų58109.1 Ų109.148%0.47954%0.543SS..Hα-helixtrans-63.1-41.3176.400000112E85 Q86 Q92 G93E85-A89 WeakPolarHBondContact O-CB 3.48Å; E85-A89 PolarHBondContact O-N 2.84Å; Q86-A89 WeakPolarHBondContact O-CB 3.34Å; Q86-A89 PolarHBondContact O-N 2.92Å; A89-Q92 PolarHBondContact O-N 3.45Å; A89-G93 PolarHBondContact O-N 3.15Å
90E87.5Confident81.4Confident103 Ų103108 Ų10848%0.48155%0.548SS..Hα-helixtrans-63-43.2174.5-77.5-161.4-166.500112.3Q86 Q92 G93 R94Q86-E90 PolarHBondContact O-N 3.4Å; E90-Q92 VanDerWaalsContact C-N 3.34Å; E90-Q92 PolarHBondContact O-N 2.85Å; E90-G93 PolarHBondContact O-N 2.9Å; E90-R94 VanDerWaalsContact O-CG 3.31Å; E90-R94 WeakPolarHBondContact O-CG 3.25Å; E90-R94 PolarHBondContact O-N 3.06Å; E90-R94 IonicContact OE2-CZ 3.88Å; E90-R94 IonicContact OE2-NH2 2.93Å; E90-R94 PolarHBondContact OE2-NH2 2.99Å
91K84.2Confident80.6Confident101 Ų101112.2 Ų112.244%0.43957%0.565SS.*Hα-helixtrans-62.8-41.8177.6-74.9173-176.41780111.3D87 L88 R94 T95D87-K91 WeakPolarHBondContact O-CB 3.32Å; D87-K91 VanDerWaalsContact O-CG 3.27Å; D87-K91 WeakPolarHBondContact O-CG 3.39Å; D87-K91 PolarHBondContact O-N 3.25Å; L88-K91 PolarHBondContact O-N 2.87Å; K91-R94 PolarHBondContact O-N 2.95Å; K91-T95 PolarHBondContact O-N 3.02Å
92Q82.2Confident79.9Confident141 Ų141119 Ų11966%0.65960%0.596SS**Hα-helixtrans-68.7-32.7174.7-69.1177.917.100112.7L88 A89 E90 T95L88-Q92 WeakPolarHBondContact O-CG 3.19Å; L88-Q92 PolarHBondContact O-N 2.81Å; A89-Q92 PolarHBondContact O-N 3.45Å; E90-Q92 VanDerWaalsContact C-N 3.34Å; E90-Q92 PolarHBondContact O-N 2.85Å; Q92-T95 WeakPolarHBondContact CA-OG1 3.1Å; Q92-T95 PolarHBondContact O-OG1 3.13Å
93G78.9Confident79.2Confident58 Ų58118.7 Ų118.760%0.59860%0.598SS**Hα-helixtrans-72.2-31.4175.600000113.5A89 E90A89-G93 PolarHBondContact O-N 3.15Å; E90-G93 PolarHBondContact O-N 2.9Å
94R75.6Confident78.8Confident190 Ų190117 Ų11772%0.71759%0.593SS**Hα-helixtrans-75.6-30.3176.7-72.3177.5-164-170.69.8112.7E90 K91 R96E90-R94 VanDerWaalsContact O-CG 3.31Å; E90-R94 WeakPolarHBondContact O-CG 3.25Å; E90-R94 PolarHBondContact O-N 3.06Å; E90-R94 IonicContact OE2-CZ 3.88Å; E90-R94 IonicContact OE2-NH2 2.93Å; E90-R94 PolarHBondContact OE2-NH2 2.99Å; K91-R94 PolarHBondContact O-N 2.95Å; R94-R96 VanDerWaalsContact C-N 3.3Å; R94-R96 PolarHBondContact O-N 3.06Å
95T66.2Low78.5Confident96 Ų96119.2 Ų119.259%0.58961%0.606SS**SBendtrans-66.597.3165.249.30000107.2K91 Q92 P97K91-T95 PolarHBondContact O-N 3.02Å; Q92-T95 WeakPolarHBondContact CA-OG1 3.1Å; Q92-T95 PolarHBondContact O-OG1 3.13Å; T95-P97 WeakPolarHBondContact O-CD 3.43Å
96R61.3Low78.2Confident226 Ų226119.5 Ų119.585%0.85361%0.607SS**  trans-46.4119.5174.7-88.7-177.6166.9-165.8-3.9107.1R94 E98R94-R96 VanDerWaalsContact C-N 3.3Å; R94-R96 PolarHBondContact O-N 3.06Å; R96-E98 PolarHBondContact O-N 3.26Å
97P63.1Low77.9Confident110 Ų110118.1 Ų118.171%0.71460%0.603SS**  trans-54.7125.3170.423.4-31.4000105.6T95 Q99T95-P97 WeakPolarHBondContact O-CD 3.43Å; P97-Q99 PolarHBondContact O-N 3.36Å
98E64.7Low77.6Confident179 Ų179120.1 Ų120.184%0.83661%0.612SS**  trans-50.8114.7173.9-70.1-164.7156.600106R96 P100R96-E98 PolarHBondContact O-N 3.26Å; E98-P100 VanDerWaalsContact O-N 3.16Å
99Q67.6Low77.4Confident172 Ų172118.8 Ų118.880%0.80461%0.608SS**  trans-54.2130.4177.6-70.6-166.1-46.900106.1P97 K101P97-Q99 PolarHBondContact O-N 3.36Å; Q99-K101 PolarHBondContact O-N 3.38Å
100P67.7Low77.2Confident120 Ų120121.7 Ų121.778%0.77961%0.609SS**  trans-55.2112.9-178.322.9-32.6000107E98 E102E98-P100 VanDerWaalsContact O-N 3.16Å; P100-E102 PolarHBondContact O-N 3.44Å
101K75.1Confident76.9Confident135 Ų135118.9 Ų118.959%0.58760%0.604SS**  trans-64.4113.3176.2-68.7177.9177.3-178.90105.9Q99 V103 D105Q99-K101 PolarHBondContact O-N 3.38Å; K101-V103 PolarHBondContact O-N 3.05Å; K101-V103 VanDerWaalsContact O-N 3.11Å; K101-D105 IonicContact NZ-OD1 3.69Å; K101-D105 PolarHBondContact NZ-OD1 3.44Å; K101-D105 IonicContact NZ-OD2 2.91Å; K101-D105 PolarHBondContact NZ-OD2 2.84Å
102E78.1Confident76.6Confident200 Ų200120.9 Ų120.994%0.93561%0.61SS**SBendtrans-60-20.8177.3-64.1-179177.900112.1P100P100-E102 PolarHBondContact O-N 3.44Å
103V79.2Confident76.4Confident79 Ų79122.5 Ų122.548%0.47961%0.611SS.*SBendtrans-126.1122.9179.4-174.50000108.7K101 D107 M108K101-V103 PolarHBondContact O-N 3.05Å; K101-V103 VanDerWaalsContact O-N 3.11Å; V103-D107 HydrophobicContact CG1-CB 3.88Å; V103-M108 HydrophobicContact CG1-CB 4.11Å
104S84.4Confident76.1Confident50 Ų50123.3 Ų123.335%0.3561%0.612SS.*  trans-63.1148.3173.279.30000110.1Q106 D107 M108S104-Q106 PolarHBondContact O-N 2.93Å; S104-Q106 VanDerWaalsContact O-N 3.1Å; S104-D107 PolarHBondContact O-N 2.87Å; S104-D107 WeakPolarHBondContact OG-CB 3.49Å; S104-D107 PolarHBondContact OG-N 3.22Å; S104-D107 VanDerWaalsContact OG-N 3.08Å; S104-D107 PolarHBondContact OG-OD2 3.24Å; S104-M108 PolarHBondContact O-N 2.94Å
105D84.1Confident75.6Confident94 Ų94119.9 Ų119.950%0.50361%0.608SS.*Hα-helixtrans-57.1-31.9178.9-65.1-11.6000110.8K101 V109K101-D105 IonicContact NZ-OD1 3.69Å; K101-D105 PolarHBondContact NZ-OD1 3.44Å; K101-D105 IonicContact NZ-OD2 2.91Å; K101-D105 PolarHBondContact NZ-OD2 2.84Å; D105-V109 WeakPolarHBondContact O-CB 3.44Å; D105-V109 WeakPolarHBondContact O-CG2 3.38Å; D105-V109 PolarHBondContact O-N 2.89Å
106Q85.2Confident75.2Confident140 Ų140121.6 Ų121.665%0.65461%0.607SS**Hα-helixtrans-66.3-40.1174-64.6-173.2-1.600112.9S104 V109 K110S104-Q106 PolarHBondContact O-N 2.93Å; S104-Q106 VanDerWaalsContact O-N 3.1Å; Q106-V109 PolarHBondContact O-N 3.39Å; Q106-K110 VanDerWaalsContact O-CG 3.31Å; Q106-K110 WeakPolarHBondContact O-CG 3.42Å; Q106-K110 PolarHBondContact O-N 3.49Å
107D85.9Confident74.9Confident72 Ų72113 Ų11339%0.38558%0.584SS.*Hα-helixtrans-74.9-32.5179-62.3-36.3000111.7V103 S104 V109 K110 A111V103-D107 HydrophobicContact CG1-CB 3.88Å; S104-D107 PolarHBondContact O-N 2.87Å; S104-D107 WeakPolarHBondContact OG-CB 3.49Å; S104-D107 PolarHBondContact OG-N 3.22Å; S104-D107 VanDerWaalsContact OG-N 3.08Å; S104-D107 PolarHBondContact OG-OD2 3.24Å; D107-V109 VanDerWaalsContact C-N 3.34Å; D107-K110 PolarHBondContact O-N 2.72Å; D107-K110 IonicContact OD1-NZ 3.54Å; D107-K110 PolarHBondContact OD1-NZ 2.84Å; D107-A111 VanDerWaalsContact O-CB 3.24Å; D107-A111 WeakPolarHBondContact O-CB 3.48Å; D107-A111 PolarHBondContact O-N 3.35Å
108M83.2Confident74.5Confident105 Ų105111.6 Ų111.652%0.51758%0.575SS.*Hα-helixtrans-61.8-43.8169.4-175.4-82.9-72.100110.8V103 S104 A111 Y112V103-M108 HydrophobicContact CG1-CB 4.11Å; S104-M108 PolarHBondContact O-N 2.94Å; M108-A111 PolarHBondContact O-N 3.17Å; M108-Y112 WeakPolarHBondContact O-CB 3.38Å; M108-Y112 PolarHBondContact O-N 2.9Å
109V83.5Confident74.1Confident66 Ų66107 Ų10740%0.456%0.56SS.*Hα-helixtrans-61.6-48.3174.8169.20000111D105 Q106 D107 A111 Y112 Y113D105-V109 WeakPolarHBondContact O-CB 3.44Å; D105-V109 WeakPolarHBondContact O-CG2 3.38Å; D105-V109 PolarHBondContact O-N 2.89Å; Q106-V109 PolarHBondContact O-N 3.39Å; D107-V109 VanDerWaalsContact C-N 3.34Å; V109-A111 VanDerWaalsContact C-N 3.34Å; V109-A111 PolarHBondContact O-N 3.01Å; V109-Y112 PolarHBondContact O-N 3.24Å; V109-Y113 HydrophobicContact CG1-CD2 3.58Å; V109-Y113 HydrophobicContact CG1-CE2 3.54Å; V109-Y113 WeakPolarHBondContact O-CD2 3.31Å; V109-Y113 PolarHBondContact O-N 3.03Å
110K84.9Confident73.6Confident118 Ų118103.7 Ų103.751%0.51355%0.551SS.*Hα-helixtrans-59.8-44175.6-71.2170.4-162.5157.70111.4Q106 D107 Y112 Y113 A114Q106-K110 VanDerWaalsContact O-CG 3.31Å; Q106-K110 WeakPolarHBondContact O-CG 3.42Å; Q106-K110 PolarHBondContact O-N 3.49Å; D107-K110 PolarHBondContact O-N 2.72Å; D107-K110 IonicContact OD1-NZ 3.54Å; D107-K110 PolarHBondContact OD1-NZ 2.84Å; K110-Y112 VanDerWaalsContact C-N 3.33Å; K110-Y112 PolarHBondContact O-N 3.32Å; K110-Y113 PolarHBondContact O-N 3.25Å; K110-A114 WeakPolarHBondContact O-CA 3.34Å; K110-A114 WeakPolarHBondContact O-CB 3.27Å; K110-A114 PolarHBondContact O-N 3.44Å
111A81.1Confident73.1Confident44 Ų44101.5 Ų101.536%0.36454%0.538SS..Hα-helixtrans-64.5-38.1178.100000111.7D107 M108 V109 N115D107-A111 VanDerWaalsContact O-CB 3.24Å; D107-A111 WeakPolarHBondContact O-CB 3.48Å; D107-A111 PolarHBondContact O-N 3.35Å; M108-A111 PolarHBondContact O-N 3.17Å; V109-A111 VanDerWaalsContact C-N 3.34Å; V109-A111 PolarHBondContact O-N 3.01Å; A111-N115 WeakPolarHBondContact O-CA 3.49Å; A111-N115 WeakPolarHBondContact O-CB 3.23Å; A111-N115 PolarHBondContact O-N 3.34Å; A111-N115 PolarHBondContact O-ND2 3.17Å
112Y77Confident72.2Confident144 Ų14496.2 Ų96.257%0.56552%0.522SS*.Hα-helixtrans-65.3-43.3175.8-177-98.6000112.2M108 V109 K110 N115 A117M108-Y112 WeakPolarHBondContact O-CB 3.38Å; M108-Y112 PolarHBondContact O-N 2.9Å; V109-Y112 PolarHBondContact O-N 3.24Å; K110-Y112 VanDerWaalsContact C-N 3.33Å; K110-Y112 PolarHBondContact O-N 3.32Å; Y112-N115 CarbonylContact O-C 3.53Å; Y112-A117 HydrophobicContact CE1-CB 4.35Å
113Y77.1Confident71.3Confident174 Ų17489.4 Ų89.468%0.68250%0.496SS*.Hα-helixtrans-75.9-40.4177.6-74.6-66.3000113V109 K110 K116V109-Y113 HydrophobicContact CG1-CD2 3.58Å; V109-Y113 HydrophobicContact CG1-CE2 3.54Å; V109-Y113 WeakPolarHBondContact O-CD2 3.31Å; V109-Y113 PolarHBondContact O-N 3.03Å; K110-Y113 PolarHBondContact O-N 3.25Å; Y113-K116 PolarHBondContact O-N 3.4Å
114A73.4Confident70.4Confident75 Ų7590 Ų9062%0.6250%0.495SS*.Hα-helixtrans-67.9-43.7177.600000111.5K110 K116K110-A114 WeakPolarHBondContact O-CA 3.34Å; K110-A114 WeakPolarHBondContact O-CB 3.27Å; K110-A114 PolarHBondContact O-N 3.44Å; A114-K116 PolarHBondContact O-N 2.84Å; A114-K116 VanDerWaalsContact O-N 3.13Å
115N64.9Low69.4Low118 Ų11890.6 Ų90.663%0.63150%0.499SS*.THydrogen-bonded Turntrans-87.946.8172.6-57.6-58.5000111.6A111 Y112A111-N115 WeakPolarHBondContact O-CA 3.49Å; A111-N115 WeakPolarHBondContact O-CB 3.23Å; A111-N115 PolarHBondContact O-N 3.34Å; A111-N115 PolarHBondContact O-ND2 3.17Å; Y112-N115 CarbonylContact O-C 3.53Å
116K56.9Low68.4Low133 Ų13393.8 Ų93.858%0.57851%0.509SS*.  trans4489.2152.2-72.5-167.1-175.9-174.90115Y113 A114 P118 T119Y113-K116 PolarHBondContact O-N 3.4Å; A114-K116 PolarHBondContact O-N 2.84Å; A114-K116 VanDerWaalsContact O-N 3.13Å; K116-P118 VanDerWaalsContact CA-CD 3.5Å; K116-P118 HydrophobicContact CB-CG 3.81Å; K116-P118 HydrophobicContact CD-CG 4.35Å; K116-P118 HydrophobicContact CG-CG 4.25Å; K116-P118 WeakPolarHBondContact O-CD 3.48Å; K116-T119 HydrophobicContact CB-CG2 3.94Å; K116-T119 PolarHBondContact O-N 3.27Å; K116-T119 PolarHBondContact O-OG1 3.3Å
117A56.3Low67.4Low44 Ų4493.4 Ų93.436%0.36451%0.505SS..THydrogen-bonded Turntrans-42.6-16.5153.900000116.6Y112 S121Y112-A117 HydrophobicContact CE1-CB 4.35Å; A117-S121 PolarHBondContact O-OG 2.96Å
118P54.7Low66.4Low81 Ų8196.7 Ų96.753%0.52652%0.516SS..Hα-helixtrans-77.6-4.7165.725.9-35.5000116K116 S121 G122K116-P118 VanDerWaalsContact CA-CD 3.5Å; K116-P118 HydrophobicContact CB-CG 3.81Å; K116-P118 HydrophobicContact CD-CG 4.35Å; K116-P118 HydrophobicContact CG-CG 4.25Å; K116-P118 WeakPolarHBondContact O-CD 3.48Å; P118-S121 WeakPolarHBondContact CA-OG 3.3Å; P118-G122 WeakPolarHBondContact O-CA 3.45Å; P118-G122 PolarHBondContact O-N 2.99Å
119T56.5Low65.5Low84 Ų8495.7 Ų95.752%0.51551%0.513SS..Hα-helixtrans-83.3-41.3-17855.60000112.9K116 S123K116-T119 HydrophobicContact CB-CG2 3.94Å; K116-T119 PolarHBondContact O-N 3.27Å; K116-T119 PolarHBondContact O-OG1 3.3Å; T119-S123 WeakPolarHBondContact O-CB 3.28Å; T119-S123 PolarHBondContact O-N 2.92Å; T119-S123 PolarHBondContact O-OG 3.11Å; T119-S123 VanDerWaalsContact O-OG 3.11Å
120V56.4Low64.5Low102 Ų10296.9 Ų96.962%0.61852%0.52SS*.Hα-helixtrans-75.8-43.2173.9-174.40000110.8S123 M124V120-S123 PolarHBondContact O-OG 3.33Å; V120-M124 PolarHBondContact O-N 3.41Å
121S56.6Low63.4Low73 Ų7399.1 Ų99.151%0.5153%0.53SS..Hα-helixtrans-72.6-35.517666.40000112.9A117 P118 S125A117-S121 PolarHBondContact O-OG 2.96Å; P118-S121 WeakPolarHBondContact CA-OG 3.3Å; S121-S125 VanDerWaalsContact O-CB 3.25Å; S121-S125 WeakPolarHBondContact O-CB 3.24Å; S121-S125 PolarHBondContact O-N 3.46Å
122G56.2Low62.5Low25 Ų25104.4 Ų104.426%0.25855%0.545SS..Hα-helixtrans-79.4-30.9-179.600000114.5P118 M124 S125 K126P118-G122 WeakPolarHBondContact O-CA 3.45Å; P118-G122 PolarHBondContact O-N 2.99Å; G122-M124 VanDerWaalsContact C-N 3.35Å; G122-S125 PolarHBondContact O-N 3.32Å; G122-K126 WeakPolarHBondContact O-CG 3.39Å; G122-K126 PolarHBondContact O-N 3.04Å
123S59.7Low61.9Low56 Ų56101.2 Ų101.239%0.39254%0.537SS..Hα-helixtrans-69.1-35.7172.574.70000111.4T119 V120 K127T119-S123 WeakPolarHBondContact O-CB 3.28Å; T119-S123 PolarHBondContact O-N 2.92Å; T119-S123 PolarHBondContact O-OG 3.11Å; T119-S123 VanDerWaalsContact O-OG 3.11Å; V120-S123 PolarHBondContact O-OG 3.33Å; S123-K127 VanDerWaalsContact O-CE 3.26Å; S123-K127 WeakPolarHBondContact O-CE 3.2Å; S123-K127 WeakPolarHBondContact O-CG 3.46Å; S123-K127 PolarHBondContact O-N 2.9Å
124M60.7Low61.2Low92 Ų9299.4 Ų99.445%0.45353%0.534SS..Hα-helixtrans-71.9-41.3171-102.5129.974.100112.1V120 G122 K126 K127 F128V120-M124 PolarHBondContact O-N 3.41Å; G122-M124 VanDerWaalsContact C-N 3.35Å; M124-K126 VanDerWaalsContact C-N 3.31Å; M124-K126 PolarHBondContact O-N 3.13Å; M124-K127 WeakPolarHBondContact O-CA 3.49Å; M124-K127 WeakPolarHBondContact O-CB 3.41Å; M124-K127 PolarHBondContact O-N 2.89Å; M124-F128 HydrophobicContact CB-CD2 4.46Å; M124-F128 HydrophobicContact CB-CE2 4.08Å; M124-F128 HydrophobicContact CG-CE2 4.08Å; M124-F128 WeakPolarHBondContact O-CD2 3.31Å; M124-F128 PolarHBondContact O-N 2.96Å; M124-F128 VanDerWaalsContact O-N 3.16Å
125S62.7Low60.7Low63 Ų63103 Ų10344%0.44154%0.535SS..Hα-helixtrans-59.6-39.9178.2-164.20000112.4S121 G122 K127 F128 N129S121-S125 VanDerWaalsContact O-CB 3.25Å; S121-S125 WeakPolarHBondContact O-CB 3.24Å; S121-S125 PolarHBondContact O-N 3.46Å; G122-S125 PolarHBondContact O-N 3.32Å; S125-K127 VanDerWaalsContact C-N 3.33Å; S125-K127 PolarHBondContact O-N 3.19Å; S125-F128 PolarHBondContact O-N 3.36Å; S125-N129 PolarHBondContact O-N 3.5Å; S125-N129 PolarHBondContact O-ND2 3.27Å
126K63.7Low60.6Low161 Ų161105.3 Ų105.370%0.754%0.535SS*.Hα-helixtrans-63-34.4172.3-74.5-179.5-178.6178.80113.4G122 M124 F128G122-K126 WeakPolarHBondContact O-CG 3.39Å; G122-K126 PolarHBondContact O-N 3.04Å; M124-K126 VanDerWaalsContact C-N 3.31Å; M124-K126 PolarHBondContact O-N 3.13Å; K126-F128 VanDerWaalsContact C-N 3.31Å; K126-F128 PolarHBondContact O-N 3.1Å
127K64.6Low60.8Low132 Ų132107.6 Ų107.657%0.57455%0.545SS*.Hα-helixtrans-72.6-20.8177.7-70.7-178.2-69.9-158.10113.4S123 M124 S125 T130S123-K127 VanDerWaalsContact O-CE 3.26Å; S123-K127 WeakPolarHBondContact O-CE 3.2Å; S123-K127 WeakPolarHBondContact O-CG 3.46Å; S123-K127 PolarHBondContact O-N 2.9Å; M124-K127 WeakPolarHBondContact O-CA 3.49Å; M124-K127 WeakPolarHBondContact O-CB 3.41Å; M124-K127 PolarHBondContact O-N 2.89Å; S125-K127 VanDerWaalsContact C-N 3.33Å; S125-K127 PolarHBondContact O-N 3.19Å; K127-T130 PolarHBondContact O-OG1 3.09Å; K127-T130 VanDerWaalsContact O-OG1 3.09Å
128F64.4Low61Low140 Ų140112.6 Ų112.661%0.61456%0.561SS**Hα-helixtrans-95.6-28.8177.2-66-65.9000113.3M124 S125 K126 T130 K131M124-F128 HydrophobicContact CB-CD2 4.46Å; M124-F128 HydrophobicContact CB-CE2 4.08Å; M124-F128 HydrophobicContact CG-CE2 4.08Å; M124-F128 WeakPolarHBondContact O-CD2 3.31Å; M124-F128 PolarHBondContact O-N 2.96Å; M124-F128 VanDerWaalsContact O-N 3.16Å; S125-F128 PolarHBondContact O-N 3.36Å; K126-F128 VanDerWaalsContact C-N 3.31Å; K126-F128 PolarHBondContact O-N 3.1Å; F128-T130 VanDerWaalsContact C-N 3.31Å; F128-T130 PolarHBondContact O-N 2.97Å; F128-K131 PolarHBondContact O-N 3.49Å
129N63.3Low61.3Low85 Ų85115.9 Ų115.946%0.45557%0.572SS.*Hα-helixtrans-64.5-35.4174.9-71.7-25.1000112.4S125 K131 K132 D133S125-N129 PolarHBondContact O-N 3.5Å; S125-N129 PolarHBondContact O-ND2 3.27Å; N129-K131 PolarHBondContact O-N 3.39Å; N129-K132 PolarHBondContact O-N 3.34Å; N129-D133 PolarHBondContact O-N 3.43Å
130T63.7Low60.9Low90 Ų90114.6 Ų114.655%0.55258%0.576SS**Hα-helixtrans-60.6-29.4178.250.60000113.5K127 F128 F134K127-T130 PolarHBondContact O-OG1 3.09Å; K127-T130 VanDerWaalsContact O-OG1 3.09Å; F128-T130 VanDerWaalsContact C-N 3.31Å; F128-T130 PolarHBondContact O-N 2.97Å; T130-F134 VanDerWaalsContact O-CB 3.25Å; T130-F134 WeakPolarHBondContact O-CB 3.47Å; T130-F134 PolarHBondContact O-N 2.77Å
131K61.9Low60.2Low165 Ų165113.4 Ų113.472%0.71758%0.584SS**Hα-helixtrans-72.7-32.7176.4-122.7175.5-176.5177.40112.5F128 N129 K135F128-K131 PolarHBondContact O-N 3.49Å; N129-K131 PolarHBondContact O-N 3.39Å; K131-K135 PolarHBondContact O-N 2.96Å
132K62.5Low59.5Low155 Ų155117.5 Ų117.567%0.67460%0.6SS**Hα-helixtrans-75.7-35.7177.5-153.5175.3-179.2178.70111N129 R136N129-K132 PolarHBondContact O-N 3.34Å; K132-R136 PolarHBondContact O-N 3.43Å
133D62.7Low58.8Low77 Ų77121.2 Ų121.241%0.41262%0.622SS.*Hα-helixtrans-77.5-29.8175.7-62.9-33.9000113.1N129 K135 R136 K137N129-D133 PolarHBondContact O-N 3.43Å; D133-K135 PolarHBondContact O-N 3.33Å; D133-R136 PolarHBondContact O-N 3.36Å; D133-R136 IonicContact OD1-CZ 3.41Å; D133-R136 IonicContact OD1-NE 3.02Å; D133-R136 IonicContact OD1-NH2 3.82Å; D133-R136 PolarHBondContact OD1-NH2 3.41Å; D133-K137 PolarHBondContact O-N 3.39Å; D133-K137 VanDerWaalsContact O-N 3.16Å
134F63.6Low58.1Low137 Ų137126.1 Ų126.160%0.60164%0.644SS**Hα-helixtrans-64.4-37.6173-159.8-93.1000112.3T130T130-F134 VanDerWaalsContact O-CB 3.25Å; T130-F134 WeakPolarHBondContact O-CB 3.47Å; T130-F134 PolarHBondContact O-N 2.77Å
135K62.3Low57.5Low149 Ų149127.3 Ų127.365%0.64866%0.661SS**Hα-helixtrans-70.7-32.2174.2-73.7-158.1174.6-166.70113K131 D133 Q138K131-K135 PolarHBondContact O-N 2.96Å; D133-K135 PolarHBondContact O-N 3.33Å; K135-Q138 PolarHBondContact O-N 3.44Å
136R63Low57.2Low167 Ų167130 Ų13063%0.6368%0.678SS**Hα-helixtrans-68-37.3178.1-141-175.6-50.9-163.611.8111.9K132 D133 Q138 I139 G140K132-R136 PolarHBondContact O-N 3.43Å; D133-R136 PolarHBondContact O-N 3.36Å; D133-R136 IonicContact OD1-CZ 3.41Å; D133-R136 IonicContact OD1-NE 3.02Å; D133-R136 IonicContact OD1-NH2 3.82Å; D133-R136 PolarHBondContact OD1-NH2 3.41Å; R136-Q138 VanDerWaalsContact C-N 3.3Å; R136-Q138 PolarHBondContact O-N 3.26Å; R136-I139 PolarHBondContact O-N 2.99Å; R136-G140 PolarHBondContact O-N 3.05Å
137K60.6Low56.7Low182 Ų182131.2 Ų131.279%0.79169%0.685SS**Hα-helixtrans-69.6-18.8174.1-92-174.7172.6-175.60114.9D133D133-K137 PolarHBondContact O-N 3.39Å; D133-K137 VanDerWaalsContact O-N 3.16Å
138Q61.1Low56.2Low148 Ų148129.6 Ų129.669%0.69270%0.696SS**Hα-helixtrans-90.5-12.9177.5-75.6-163.6-21.200114K135 R136K135-Q138 PolarHBondContact O-N 3.44Å; R136-Q138 VanDerWaalsContact C-N 3.3Å; R136-Q138 PolarHBondContact O-N 3.26Å
139I61.3Low55.9Low151 Ų151131.7 Ų131.777%0.77471%0.71SS**Hα-helixtrans-111.9-11.8-172.6-62.2172.9000112.3R136R136-I139 PolarHBondContact O-N 2.99Å
140G48.7Very low55.9Low57 Ų57137.3 Ų137.359%0.58873%0.731SS**SBendtrans-146.711917400000112R136R136-G140 PolarHBondContact O-N 3.05Å
141G41.9Very low56.3Low77 Ų77142.4 Ų142.479%0.79475%0.745SS**  trans142.185.116900000113.4
142D41.6Very low56.8Low158 Ų158143.7 Ų143.785%0.84575%0.754SS**  trans-44.1146.4153.5-84.2-48.8000111.9
143S39.9Very low57.5Low103 Ų103144 Ų14472%0.7275%0.752SS**SBendtrans49.390.6155.463.60000118.3
144D46.9Very low58.3Low159 Ų159149 Ų14985%0.8577%0.771SS**  166.8117.6121.6-94.1-22.2000110.1P146D144-P146 WeakPolarHBondContact O-CD 3.42Å
145S47.9Very low59Low117 Ų117149.7 Ų149.782%0.81877%0.773SS**  trans-84.9126-175.894.40000111.3
146P55.7Low59.9Low120 Ų120151 Ų15178%0.77978%0.779SS**  trans-98.6129.2157.131-20000109.3D144 A148D144-P146 WeakPolarHBondContact O-CD 3.42Å; P146-A148 PolarHBondContact O-N 3.41Å
147H52.5Low60.7Low186 Ų186149 Ų14986%0.86179%0.787SS**  trans-26.2119.8178.6-82.2-79.7000116M149H147-M149 PolarHBondContact O-N 3.1Å; H147-M149 VanDerWaalsContact O-N 3.16Å
148A53.7Low61.5Low98 Ų98151.7 Ų151.781%0.8179%0.793SS**  trans-64.4112.1170.600000110.7P146 K150P146-A148 PolarHBondContact O-N 3.41Å; A148-K150 PolarHBondContact O-N 3.4Å
149M59.2Low61.8Low184 Ų184150.7 Ų150.791%0.90680%0.802SS**PPolyproline II helixtrans-63.4123.9173.9-70.5-154.6149.200110.8H147 K151H147-M149 PolarHBondContact O-N 3.1Å; H147-M149 VanDerWaalsContact O-N 3.16Å; M149-K151 PolarHBondContact O-N 3.3Å
150K64.3Low61.9Low203 Ų203146.7 Ų146.788%0.88380%0.798SS**PPolyproline II helixtrans-58.8122.2176.5-68.4179.6179.5177.40109.6A148 Q152A148-K150 PolarHBondContact O-N 3.4Å; K150-Q152 PolarHBondContact O-N 3.38Å
151K70.7Confident62.5Low197 Ų197151.8 Ų151.886%0.85781%0.812SS**PPolyproline II helixtrans-62.5120.8172.4-66.1179-178175.60108.9M149 Y153M149-K151 PolarHBondContact O-N 3.3Å; K151-Y153 PolarHBondContact O-N 3.23Å
152Q73.2Confident62.8Low193 Ų193161.1 Ų161.190%0.90284%0.835SS**PPolyproline II helixtrans-63.7116.8171.6-65-84.8-30.300108.1K150K150-Q152 PolarHBondContact O-N 3.38Å
153Y77.8Confident63.9Low162 Ų162161.3 Ų161.364%0.63583%0.834SS**PPolyproline II helixtrans-95144.8171.556.4-91000109.5K151 K155K151-Y153 PolarHBondContact O-N 3.23Å; Y153-K155 HydrophobicContact CE2-CD 3.78Å; Y153-K155 HydrophobicContact CE2-CG 4.17Å; Y153-K155 PolarHBondContact O-N 2.89Å; Y153-K155 VanDerWaalsContact O-N 3.1Å; Y153-K155 WeakPolarHBondContact OH-CE 3.48Å; Y153-K155 PolarHBondContact OH-NZ 3.41Å
154F78.9Confident65.1Low182 Ų182164.3 Ų164.380%0.79884%0.84SS**  trans-61.3111.7174.3-173.8-99.4000109.5K156F154-K156 HydrophobicContact CD1-CG 4.34Å; F154-K156 PolarHBondContact O-N 3.36Å
155K78.6Confident66.2Low150 Ų150164.6 Ų164.665%0.65284%0.84SS**  trans-73.1111.3174.7-70-94.8-175.6178.30107.8Y153Y153-K155 HydrophobicContact CE2-CD 3.78Å; Y153-K155 HydrophobicContact CE2-CG 4.17Å; Y153-K155 PolarHBondContact O-N 2.89Å; Y153-K155 VanDerWaalsContact O-N 3.1Å; Y153-K155 WeakPolarHBondContact OH-CE 3.48Å; Y153-K155 PolarHBondContact OH-NZ 3.41Å
156K80.4Confident67.2Low177 Ų177167.4 Ų167.477%0.7784%0.841SS**PPolyproline II helixtrans-68.8140169-65.9-178.4179.8-178.50108.9F154F154-K156 HydrophobicContact CD1-CG 4.34Å; F154-K156 PolarHBondContact O-N 3.36Å
157P79.9Confident68Low125 Ų125170.4 Ų170.481%0.81285%0.845SS**PPolyproline II helixtrans-60.4137.1176.323.4-31000110.2
158R76.7Confident69Low238 Ų238169.3 Ų169.390%0.89884%0.844SS**PPolyproline II helixtrans-82.1124.8178.9-156.7174.7-177.4170.9-1.5107.3G160R158-G160 PolarHBondContact O-N 3.25Å
159S68.2Low70.1Confident127 Ų127174.4 Ų174.489%0.88885%0.846SS**SBendtrans-75.4107.9172.2510000108.4
160G63.6Low70.9Confident68 Ų68173.7 Ų173.770%0.70184%0.842SS**  trans168.3-0.2175.500000119R158R158-G160 PolarHBondContact O-N 3.25Å
161D61.1Low71.5Confident164 Ų164171.3 Ų171.388%0.87784%0.838SS**  trans-99.793.4173.5-61-33.9000109.1
162E48.4Very low71.5Confident272 Ų272168.9 Ų168.9100%1.27184%0.837SS**  trans-81.70143.9-80.6-173.3161.700108.9

Retrieved 162 of 162 residues in 24.7 ms (Link to these results)