A0A087X4R8_POEFO Loading...

M-phase phosphoprotein 6

AlphaFold DB , UniProt , Accession A0A087X4R8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, 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
1M36.9Very low66.4Low241 Ų241132.2 Ų132.2100%1.18775%0.75SS**  089.60-61-56.6-169.400107.3G3M1-G3 PolarHBondContact O-N 3.44Å
2A42.9Very low68Low107 Ų107126.8 Ų126.888%0.88472%0.717SS**  trans-70.1125.6178.500000108.2
3G47.9Very low69.4Low73 Ų73119.1 Ų119.175%0.75367%0.673SS**  trans-59135.3-170.900000112.3M1 S5M1-G3 PolarHBondContact O-N 3.44Å; G3-S5 PolarHBondContact O-N 2.89Å
4E54.3Low70.4Confident192 Ų192120.5 Ų120.590%0.89766%0.662SS**  trans-54.9102.6163.2-90.2174.4148.900108.6V6E4-V6 PolarHBondContact O-N 2.93Å; E4-V6 VanDerWaalsContact O-N 3.17Å
5S61.4Low71.7Confident86 Ų86118.5 Ų118.560%0.60165%0.648SS**  trans-61.9117168.658.10000107.7G3 K7G3-S5 PolarHBondContact O-N 2.89Å; S5-K7 PolarHBondContact O-N 3.34Å
6V71.8Confident72.7Confident139 Ų139122.7 Ų122.784%0.84266%0.658SS**  trans-61.2104.2176.21800000108.4E4E4-V6 PolarHBondContact O-N 2.93Å; E4-V6 VanDerWaalsContact O-N 3.17Å
7K77.7Confident73.6Confident183 Ų183123.8 Ų123.880%0.79666%0.656SS**PPolyproline II helixtrans-79133.2178.2-70.2179.3-179.6178.30109.6S5S5-K7 PolarHBondContact O-N 3.34Å
8L81.7Confident74.3Confident101 Ų101119.4 Ų119.453%0.52963%0.631SS.*PPolyproline II helixtrans-69.4154175.9-62.2174.9000110.9L12 M18L8-L12 HydrophobicContact CD2-CD2 4.25Å; L8-M18 HydrophobicContact CD1-CE 3.45Å; L8-M18 VanDerWaalsContact CD1-CE 3.45Å; L8-M18 HydrophobicContact CD1-SD 4.29Å
9S86.8Confident74.7Confident71 Ų71117.9 Ų117.950%0.49762%0.62SS.*PPolyproline II helixtrans-69.3146.2-179.971.40000111.8N11 L12 L13S9-N11 VanDerWaalsContact C-N 3.25Å; S9-N11 PolarHBondContact O-N 3.23Å; S9-L12 PolarHBondContact O-N 3.38Å; S9-L12 VanDerWaalsContact O-N 3.14Å; S9-L12 WeakPolarHBondContact OG-CB 3.29Å; S9-L12 PolarHBondContact OG-N 3.39Å; S9-L13 PolarHBondContact O-N 3.42Å
10K83.7Confident75.2Confident128 Ų128124.2 Ų124.256%0.55764%0.635SS**Hα-helixtrans-57.1-37.3179-68.2-171.9172.3-164.50112.7L13 R14 L30 D33K10-L13 PolarHBondContact O-N 3.23Å; K10-R14 WeakPolarHBondContact O-CB 3.46Å; K10-R14 PolarHBondContact O-N 3.43Å; K10-L30 HydrophobicContact CB-CD2 4.19Å; K10-L30 HydrophobicContact CG-CD2 4.39Å; K10-D33 IonicContact NZ-OD2 3.94Å; K10-D33 PolarHBondContact NZ-OD2 3.11Å
11N85.5Confident75.4Confident133 Ų133121.9 Ų121.971%0.71164%0.642SS**Hα-helixtrans-66-38.7178.3-73.3-14.8000112.8S9S9-N11 VanDerWaalsContact C-N 3.25Å; S9-N11 PolarHBondContact O-N 3.23Å
12L85.9Confident77.5Confident67 Ų67112 Ų11235%0.35159%0.594SS.*Hα-helixtrans-69.7-41.5176.5-176.963.3000110.6L8 S9 R14 M15 F17 M18L8-L12 HydrophobicContact CD2-CD2 4.25Å; S9-L12 PolarHBondContact O-N 3.38Å; S9-L12 VanDerWaalsContact O-N 3.14Å; S9-L12 WeakPolarHBondContact OG-CB 3.29Å; S9-L12 PolarHBondContact OG-N 3.39Å; L12-R14 PolarHBondContact O-N 3.06Å; L12-M15 HydrophobicContact CD1-SD 3.81Å; L12-M15 VanDerWaalsContact O-CB 3.32Å; L12-M15 WeakPolarHBondContact O-CB 3.34Å; L12-M15 WeakPolarHBondContact O-CG 3.25Å; L12-M15 PolarHBondContact O-N 3.15Å; L12-M15 VanDerWaalsContact O-N 3.08Å; L12-F17 HydrophobicContact CD1-CZ 4.24Å; L12-M18 HydrophobicContact CB-SD 4.49Å; L12-M18 HydrophobicContact CD1-SD 4.33Å; L12-M18 HydrophobicContact CD2-SD 4.25Å; L12-M18 HydrophobicContact CG-SD 3.64Å; L12-M18 VanDerWaalsContact O-SD 3.38Å
13L86.1Confident79.4Confident27 Ų27112.5 Ų112.514%0.14158%0.582CS.*Hα-helixtrans-63-28.4178-151.960.7000113.2S9 K10 M15 M18 L22 L30S9-L13 PolarHBondContact O-N 3.42Å; K10-L13 PolarHBondContact O-N 3.23Å; L13-M15 VanDerWaalsContact C-N 3.27Å; L13-M15 PolarHBondContact O-N 2.91Å; L13-M18 HydrophobicContact CD1-CE 3.98Å; L13-M18 HydrophobicContact CD1-SD 4.32Å; L13-L22 HydrophobicContact CD1-CD1 3.27Å; L13-L22 HydrophobicContact CD1-CD2 4.26Å; L13-L22 HydrophobicContact CD1-CG 4.36Å; L13-L22 HydrophobicContact CD2-CD1 3.83Å; L13-L22 HydrophobicContact CD2-CD2 4.19Å; L13-L22 HydrophobicContact CG-CD1 3.58Å; L13-L22 HydrophobicContact CG-CD2 3.74Å; L13-L22 HydrophobicContact CG-CG 4.31Å; L13-L30 HydrophobicContact CB-CD1 4.13Å; L13-L30 HydrophobicContact CD2-CD1 4.12Å; L13-L30 HydrophobicContact CG-CD1 4.09Å
14R83.4Confident80.9Confident139 Ų139113 Ų11353%0.52558%0.579SS.*THydrogen-bonded Turntrans-71.2-18176.1-166.2176.2-177.3-150.30.6113.3K10 L12 Q19 E34K10-R14 WeakPolarHBondContact O-CB 3.46Å; K10-R14 PolarHBondContact O-N 3.43Å; L12-R14 PolarHBondContact O-N 3.06Å; R14-Q19 PolarHBondContact O-NE2 2.97Å; R14-E34 IonicContact CZ-OE1 3.17Å; R14-E34 IonicContact NE-OE1 2.75Å; R14-E34 PolarHBondContact NE-OE1 3.4Å; R14-E34 IonicContact NH2-OE1 2.78Å; R14-E34 PolarHBondContact NH2-OE1 3.31Å
15M89.3Confident81.9Confident90 Ų90110.9 Ų110.944%0.44357%0.569SS.*SBendtrans-66.5139.9-178.2-60.7-171.381.600111.7L12 L13 F17 M18 Q19L12-M15 HydrophobicContact CD1-SD 3.81Å; L12-M15 VanDerWaalsContact O-CB 3.32Å; L12-M15 WeakPolarHBondContact O-CB 3.34Å; L12-M15 WeakPolarHBondContact O-CG 3.25Å; L12-M15 PolarHBondContact O-N 3.15Å; L12-M15 VanDerWaalsContact O-N 3.08Å; L13-M15 VanDerWaalsContact C-N 3.27Å; L13-M15 PolarHBondContact O-N 2.91Å; M15-F17 HydrophobicContact CB-CD1 3.87Å; M15-F17 HydrophobicContact CB-CE1 3.51Å; M15-F17 HydrophobicContact CB-CZ 4Å; M15-F17 HydrophobicContact CE-CD1 4.48Å; M15-F17 HydrophobicContact CE-CE1 3.57Å; M15-F17 HydrophobicContact CE-CZ 4.34Å; M15-F17 HydrophobicContact CG-CE1 4.1Å; M15-F17 HydrophobicContact CG-CZ 4.47Å; M15-F17 PolarHBondContact O-N 3.43Å; M15-F17 HydrophobicContact SD-CE1 3.48Å; M15-F17 WeakPolarHBondContact SD-CE1 3.27Å; M15-F17 HydrophobicContact SD-CZ 3.71Å; M15-M18 PolarHBondContact O-N 3.36Å; M15-Q19 PolarHBondContact O-N 2.81Å
16K88.3Confident82.8Confident186 Ų186108.6 Ų108.681%0.80955%0.552SS**THydrogen-bonded Turntrans-52-35.3-174-67.6-172.1177.6-177.20114.4M18 Q19K16-M18 VanDerWaalsContact C-N 3.34Å; K16-Q19 PolarHBondContact O-N 3.27Å
17F87.2Confident83.3Confident142 Ų142106.4 Ų106.462%0.62353%0.531SS*.THydrogen-bonded Turntrans-74-24.5-18066.5-96.6000113.3L12 M15L12-F17 HydrophobicContact CD1-CZ 4.24Å; M15-F17 HydrophobicContact CB-CD1 3.87Å; M15-F17 HydrophobicContact CB-CE1 3.51Å; M15-F17 HydrophobicContact CB-CZ 4Å; M15-F17 HydrophobicContact CE-CD1 4.48Å; M15-F17 HydrophobicContact CE-CE1 3.57Å; M15-F17 HydrophobicContact CE-CZ 4.34Å; M15-F17 HydrophobicContact CG-CE1 4.1Å; M15-F17 HydrophobicContact CG-CZ 4.47Å; M15-F17 PolarHBondContact O-N 3.43Å; M15-F17 HydrophobicContact SD-CE1 3.48Å; M15-F17 WeakPolarHBondContact SD-CE1 3.27Å; M15-F17 HydrophobicContact SD-CZ 3.71Å
18M86.3Confident83.7Confident44 Ų44103.7 Ų103.722%0.21752%0.519CS..THydrogen-bonded Turntrans-81.7-25175.3-68.6-143.972.500112.5L8 L12 L13 M15 K16 R20 G21 L22L8-M18 HydrophobicContact CD1-CE 3.45Å; L8-M18 VanDerWaalsContact CD1-CE 3.45Å; L8-M18 HydrophobicContact CD1-SD 4.29Å; L12-M18 HydrophobicContact CB-SD 4.49Å; L12-M18 HydrophobicContact CD1-SD 4.33Å; L12-M18 HydrophobicContact CD2-SD 4.25Å; L12-M18 HydrophobicContact CG-SD 3.64Å; L12-M18 VanDerWaalsContact O-SD 3.38Å; L13-M18 HydrophobicContact CD1-CE 3.98Å; L13-M18 HydrophobicContact CD1-SD 4.32Å; M15-M18 PolarHBondContact O-N 3.36Å; K16-M18 VanDerWaalsContact C-N 3.34Å; M18-R20 VanDerWaalsContact C-N 3.26Å; M18-R20 PolarHBondContact O-N 2.98Å; M18-G21 PolarHBondContact O-N 3.32Å; M18-L22 WeakPolarHBondContact O-CB 3.44Å; M18-L22 PolarHBondContact O-N 2.98Å
19Q82.9Confident83.9Confident91 Ų91103.7 Ų103.743%0.42552%0.516SS..THydrogen-bonded Turntrans-64.6-23-174.7-68.3177.6-6.800114.7R14 M15 K16R14-Q19 PolarHBondContact O-NE2 2.97Å; M15-Q19 PolarHBondContact O-N 2.81Å; K16-Q19 PolarHBondContact O-N 3.27Å
20R84.2Confident83.7Confident243 Ų243101.6 Ų101.692%0.91750%0.5SS*.THydrogen-bonded Turntrans-81.4-27.5-176.4-167.3167.8176.6150-2113.6M18M18-R20 VanDerWaalsContact C-N 3.26Å; M18-R20 PolarHBondContact O-N 2.98Å
21G79.4Confident83.8Confident76 Ų7699.2 Ų99.278%0.78449%0.49SS*.SBendtrans-106.414178.900000113.3M18M18-G21 PolarHBondContact O-N 3.32Å
22L81.6Confident83.9Confident33 Ų3396.3 Ų96.317%0.17347%0.472CS..SBendtrans-89.3137.6-174.6-171.658.7000111.3L13 M18 A24 T26 K27 L30L13-L22 HydrophobicContact CD1-CD1 3.27Å; L13-L22 HydrophobicContact CD1-CD2 4.26Å; L13-L22 HydrophobicContact CD1-CG 4.36Å; L13-L22 HydrophobicContact CD2-CD1 3.83Å; L13-L22 HydrophobicContact CD2-CD2 4.19Å; L13-L22 HydrophobicContact CG-CD1 3.58Å; L13-L22 HydrophobicContact CG-CD2 3.74Å; L13-L22 HydrophobicContact CG-CG 4.31Å; M18-L22 WeakPolarHBondContact O-CB 3.44Å; M18-L22 PolarHBondContact O-N 2.98Å; L22-A24 PolarHBondContact O-N 3.28Å; L22-T26 WeakPolarHBondContact CD1-OG1 3.21Å; L22-T26 WeakPolarHBondContact CG-OG1 3.36Å; L22-K27 HydrophobicContact CD2-CB 4.1Å; L22-L30 HydrophobicContact CD2-CD1 4.13Å
23D82.3Confident83.8Confident119 Ų11995.5 Ų95.564%0.63647%0.469SS*.  trans-58.5134.9174.5-66.9-30.4000110.7E25 T26 K27D23-E25 PolarHBondContact O-N 2.94Å; D23-E25 VanDerWaalsContact O-N 3.1Å; D23-T26 HydrophobicContact CB-CG2 4.38Å; D23-T26 PolarHBondContact O-N 3.39Å; D23-T26 PolarHBondContact O-OG1 3.21Å; D23-K27 PolarHBondContact O-N 3.34Å
24A78.3Confident83.7Confident84 Ų8497.6 Ų97.669%0.69448%0.478SS*.Hα-helixtrans-55.4-33.6-17600000112.9L22 K28L22-A24 PolarHBondContact O-N 3.28Å; A24-K28 WeakPolarHBondContact O-CB 3.46Å; A24-K28 PolarHBondContact O-N 2.86Å
25E76.3Confident83.7Confident146 Ų14697.4 Ų97.468%0.68248%0.481SS*.Hα-helixtrans-67-43.9177.3-171172.2-169.600112.3D23 K28 Q29D23-E25 PolarHBondContact O-N 2.94Å; D23-E25 VanDerWaalsContact O-N 3.1Å; E25-K28 PolarHBondContact O-N 3.45Å; E25-Q29 WeakPolarHBondContact O-CG 3.25Å; E25-Q29 PolarHBondContact O-N 3.49Å; E25-Q29 VanDerWaalsContact O-N 3.1Å
26T80.4Confident83.4Confident39 Ų39100.2 Ų100.224%0.23949%0.486CS..Hα-helixtrans-71.1-33178.160.80000112.4L22 D23 Q29 L30L22-T26 WeakPolarHBondContact CD1-OG1 3.21Å; L22-T26 WeakPolarHBondContact CG-OG1 3.36Å; D23-T26 HydrophobicContact CB-CG2 4.38Å; D23-T26 PolarHBondContact O-N 3.39Å; D23-T26 PolarHBondContact O-OG1 3.21Å; T26-Q29 PolarHBondContact O-N 2.88Å; T26-L30 WeakPolarHBondContact O-CG 3.31Å; T26-L30 PolarHBondContact O-N 3.01Å
27K83.1Confident83.1Confident93 Ų9396 Ų9640%0.40447%0.471SS..Hα-helixtrans-63.3-45.4171.4-178.3176.5171.8-178.20111.3L22 D23 Q29 L30 E31L22-K27 HydrophobicContact CD2-CB 4.1Å; D23-K27 PolarHBondContact O-N 3.34Å; K27-Q29 VanDerWaalsContact C-N 3.32Å; K27-Q29 PolarHBondContact O-N 3.35Å; K27-L30 PolarHBondContact O-N 2.98Å; K27-E31 WeakPolarHBondContact CE-OE1 3.31Å; K27-E31 WeakPolarHBondContact O-CG 3.46Å; K27-E31 PolarHBondContact O-N 3.41Å
28K85.3Confident82.7Confident126 Ų12693.4 Ų93.455%0.54846%0.463SS..Hα-helixtrans-60.3-41.5177.9-167.3-174.5178.6-167.10111.8A24 E25 L30 E31 E32A24-K28 WeakPolarHBondContact O-CB 3.46Å; A24-K28 PolarHBondContact O-N 2.86Å; E25-K28 PolarHBondContact O-N 3.45Å; K28-L30 PolarHBondContact O-N 3.34Å; K28-E31 PolarHBondContact O-N 2.95Å; K28-E32 WeakPolarHBondContact CE-OE1 3.34Å; K28-E32 IonicContact NZ-OE1 2.73Å; K28-E32 WeakPolarHBondContact O-CB 3.38Å; K28-E32 VanDerWaalsContact O-CG 3.31Å; K28-E32 WeakPolarHBondContact O-CG 3.42Å; K28-E32 PolarHBondContact O-N 3.07Å
29Q84.8Confident82.2Confident100 Ų10095 Ų9547%0.46748%0.478SS..Hα-helixtrans-61.6-41.4175.7-70.9173.67.900112.7E25 T26 K27 E32 D33E25-Q29 WeakPolarHBondContact O-CG 3.25Å; E25-Q29 PolarHBondContact O-N 3.49Å; E25-Q29 VanDerWaalsContact O-N 3.1Å; T26-Q29 PolarHBondContact O-N 2.88Å; K27-Q29 VanDerWaalsContact C-N 3.32Å; K27-Q29 PolarHBondContact O-N 3.35Å; Q29-E32 PolarHBondContact O-N 3.06Å; Q29-D33 WeakPolarHBondContact O-CB 3.37Å; Q29-D33 PolarHBondContact O-N 3.46Å
30L84.3Confident82.1Confident28 Ų2897.1 Ų97.115%0.14749%0.493CS..Hα-helixtrans-66.3-40.9176.3-69.3176.5000112K10 L13 L22 T26 K27 K28 E32 D33 E34K10-L30 HydrophobicContact CB-CD2 4.19Å; K10-L30 HydrophobicContact CG-CD2 4.39Å; L13-L30 HydrophobicContact CB-CD1 4.13Å; L13-L30 HydrophobicContact CD2-CD1 4.12Å; L13-L30 HydrophobicContact CG-CD1 4.09Å; L22-L30 HydrophobicContact CD2-CD1 4.13Å; T26-L30 WeakPolarHBondContact O-CG 3.31Å; T26-L30 PolarHBondContact O-N 3.01Å; K27-L30 PolarHBondContact O-N 2.98Å; K28-L30 PolarHBondContact O-N 3.34Å; L30-E32 VanDerWaalsContact C-N 3.35Å; L30-D33 PolarHBondContact O-N 3.48Å; L30-E34 WeakPolarHBondContact O-CG 3.44Å; L30-E34 PolarHBondContact O-N 3.43Å
31E85.9Confident82Confident77 Ų7792.2 Ų92.236%0.3648%0.481SS..Hα-helixtrans-66.3-36.7176-70.9176.3-171.100112.1K27 K28 E34 K35K27-E31 WeakPolarHBondContact CE-OE1 3.31Å; K27-E31 WeakPolarHBondContact O-CG 3.46Å; K27-E31 PolarHBondContact O-N 3.41Å; K28-E31 PolarHBondContact O-N 2.95Å; E31-E34 PolarHBondContact O-N 3.22Å; E31-K35 WeakPolarHBondContact O-CB 3.43Å; E31-K35 VanDerWaalsContact O-CG 3.24Å; E31-K35 WeakPolarHBondContact O-CG 2.92Å; E31-K35 PolarHBondContact O-N 2.94Å
32E86.8Confident82.1Confident72 Ų7294.6 Ų94.634%0.33647%0.471SS..Hα-helixtrans-66-43.5173.1-75.1173.2-163.600111.6K28 Q29 L30 E34 K35 R36K28-E32 WeakPolarHBondContact CE-OE1 3.34Å; K28-E32 IonicContact NZ-OE1 2.73Å; K28-E32 WeakPolarHBondContact O-CB 3.38Å; K28-E32 VanDerWaalsContact O-CG 3.31Å; K28-E32 WeakPolarHBondContact O-CG 3.42Å; K28-E32 PolarHBondContact O-N 3.07Å; Q29-E32 PolarHBondContact O-N 3.06Å; L30-E32 VanDerWaalsContact C-N 3.35Å; E32-E34 VanDerWaalsContact C-N 3.3Å; E32-E34 PolarHBondContact O-N 2.91Å; E32-K35 PolarHBondContact O-N 3.37Å; E32-R36 WeakPolarHBondContact O-CB 3.41Å; E32-R36 VanDerWaalsContact O-CG 3.24Å; E32-R36 WeakPolarHBondContact O-CG 3.38Å; E32-R36 PolarHBondContact O-N 3.11Å
33D84.5Confident82.1Confident51 Ų51103.4 Ų103.427%0.27350%0.502SS..Hα-helixtrans-60.2-40.7174.5-76.8-10.8000110.7K10 Q29 L30 R36 I37K10-D33 IonicContact NZ-OD2 3.94Å; K10-D33 PolarHBondContact NZ-OD2 3.11Å; Q29-D33 WeakPolarHBondContact O-CB 3.37Å; Q29-D33 PolarHBondContact O-N 3.46Å; L30-D33 PolarHBondContact O-N 3.48Å; D33-R36 PolarHBondContact O-N 3.16Å; D33-I37 WeakPolarHBondContact O-CD1 3.45Å; D33-I37 WeakPolarHBondContact O-CG1 3.45Å; D33-I37 PolarHBondContact O-N 3.5Å; D33-I37 VanDerWaalsContact O-N 3.09Å
34E82.9Confident81.8Confident70 Ų70106.3 Ų106.333%0.32751%0.505SS..Hα-helixtrans-65.5-44.9174.1-73.6-176.5161.500112.5R14 L30 E31 E32 R36 I37 I38R14-E34 IonicContact CZ-OE1 3.17Å; R14-E34 IonicContact NE-OE1 2.75Å; R14-E34 PolarHBondContact NE-OE1 3.4Å; R14-E34 IonicContact NH2-OE1 2.78Å; R14-E34 PolarHBondContact NH2-OE1 3.31Å; L30-E34 WeakPolarHBondContact O-CG 3.44Å; L30-E34 PolarHBondContact O-N 3.43Å; E31-E34 PolarHBondContact O-N 3.22Å; E32-E34 VanDerWaalsContact C-N 3.3Å; E32-E34 PolarHBondContact O-N 2.91Å; E34-R36 VanDerWaalsContact C-N 3.27Å; E34-R36 PolarHBondContact O-N 2.69Å; E34-I37 PolarHBondContact O-N 3.27Å; E34-I38 VanDerWaalsContact O-CG1 3.25Å; E34-I38 WeakPolarHBondContact O-CG1 3.24Å; E34-I38 PolarHBondContact O-N 2.91Å
35K83.8Confident81.9Confident135 Ų135108.2 Ų108.259%0.58750%0.503SS*.Hα-helixtrans-63.4-33.7176.4-75172.8-175177.60112.2E31 E32 S39E31-K35 WeakPolarHBondContact O-CB 3.43Å; E31-K35 VanDerWaalsContact O-CG 3.24Å; E31-K35 WeakPolarHBondContact O-CG 2.92Å; E31-K35 PolarHBondContact O-N 2.94Å; E32-K35 PolarHBondContact O-N 3.37Å; K35-S39 WeakPolarHBondContact O-CB 3.2Å; K35-S39 PolarHBondContact O-N 3Å
36R83.9Confident81.8Confident150 Ų150105.2 Ų105.257%0.56649%0.492SS*.Hα-helixtrans-66.3-48.6174.4-74.5173.9-166.2-1547.2111.2E32 D33 E34 I38 S39 D40E32-R36 WeakPolarHBondContact O-CB 3.41Å; E32-R36 VanDerWaalsContact O-CG 3.24Å; E32-R36 WeakPolarHBondContact O-CG 3.38Å; E32-R36 PolarHBondContact O-N 3.11Å; D33-R36 PolarHBondContact O-N 3.16Å; E34-R36 VanDerWaalsContact C-N 3.27Å; E34-R36 PolarHBondContact O-N 2.69Å; R36-I38 VanDerWaalsContact C-N 3.28Å; R36-I38 PolarHBondContact O-N 2.96Å; R36-S39 PolarHBondContact O-N 3.27Å; R36-S39 VanDerWaalsContact O-N 3.14Å; R36-D40 WeakPolarHBondContact O-CB 3.46Å; R36-D40 PolarHBondContact O-N 3.4Å
37I79.9Confident81.7Confident96 Ų96107.4 Ų107.449%0.49250%0.502SS..Hα-helixtrans-56.5-46.9176.5-67.1159000110.4D33 E34 D40 E41D33-I37 WeakPolarHBondContact O-CD1 3.45Å; D33-I37 WeakPolarHBondContact O-CG1 3.45Å; D33-I37 PolarHBondContact O-N 3.5Å; D33-I37 VanDerWaalsContact O-N 3.09Å; E34-I37 PolarHBondContact O-N 3.27Å; I37-D40 PolarHBondContact O-N 3.22Å; I37-E41 WeakPolarHBondContact O-CG 3.19Å; I37-E41 PolarHBondContact O-N 3.1Å
38I80.4Confident81.3Confident88 Ų88107.6 Ų107.645%0.45151%0.513SS..Hα-helixtrans-60.7-52176.5-67.8170.2000109.6E34 R36 D40 E41 H42E34-I38 VanDerWaalsContact O-CG1 3.25Å; E34-I38 WeakPolarHBondContact O-CG1 3.24Å; E34-I38 PolarHBondContact O-N 2.91Å; R36-I38 VanDerWaalsContact C-N 3.28Å; R36-I38 PolarHBondContact O-N 2.96Å; I38-D40 VanDerWaalsContact C-N 3.28Å; I38-D40 PolarHBondContact O-N 3.45Å; I38-E41 PolarHBondContact O-N 3.35Å; I38-E41 VanDerWaalsContact O-N 3.1Å; I38-H42 WeakPolarHBondContact CG2-CE1 3.34Å; I38-H42 WeakPolarHBondContact CG2-ND1 3.3Å; I38-H42 PolarHBondContact O-N 2.78Å; I38-H42 PolarHBondContact O-ND1 2.82Å
39S76.1Confident80.6Confident77 Ų77108.9 Ų108.954%0.53852%0.52SS..Hα-helixtrans-59.2-36.3-179.8-173.70000113.5K35 R36 E41 H42K35-S39 WeakPolarHBondContact O-CB 3.2Å; K35-S39 PolarHBondContact O-N 3Å; R36-S39 PolarHBondContact O-N 3.27Å; R36-S39 VanDerWaalsContact O-N 3.14Å; S39-E41 VanDerWaalsContact C-N 3.28Å; S39-E41 PolarHBondContact O-N 3.18Å; S39-H42 PolarHBondContact O-N 3.46Å
40D80Confident79.7Confident136 Ų136109.9 Ų109.973%0.72753%0.528SS*.Hα-helixtrans-69.9-29.2179.6-68.3-14.4000111.3R36 I37 I38R36-D40 WeakPolarHBondContact O-CB 3.46Å; R36-D40 PolarHBondContact O-N 3.4Å; I37-D40 PolarHBondContact O-N 3.22Å; I38-D40 VanDerWaalsContact C-N 3.28Å; I38-D40 PolarHBondContact O-N 3.45Å
41E81.6Confident78.7Confident141 Ų141115.6 Ų115.666%0.65955%0.552SS**Hα-helixtrans-82.7-23.5173.1-67.2174-17500112.9I37 I38 S39 W43I37-E41 WeakPolarHBondContact O-CG 3.19Å; I37-E41 PolarHBondContact O-N 3.1Å; I38-E41 PolarHBondContact O-N 3.35Å; I38-E41 VanDerWaalsContact O-N 3.1Å; S39-E41 VanDerWaalsContact C-N 3.28Å; S39-E41 PolarHBondContact O-N 3.18Å; E41-W43 PolarHBondContact O-N 3.22Å
42H81.1Confident77.7Confident126 Ų126116.1 Ų116.158%0.58357%0.569SS**  trans-79.388.5179.5-76.256.5000110.6I38 S39I38-H42 WeakPolarHBondContact CG2-CE1 3.34Å; I38-H42 WeakPolarHBondContact CG2-ND1 3.3Å; I38-H42 PolarHBondContact O-N 2.78Å; I38-H42 PolarHBondContact O-ND1 2.82Å; S39-H42 PolarHBondContact O-N 3.46Å
43W82.5Confident76.8Confident218 Ų218120.1 Ų120.183%0.82659%0.586SS**  trans-75.7135.8167.664.8-83.9000110.3E41 L45E41-W43 PolarHBondContact O-N 3.22Å; W43-L45 HydrophobicContact CZ3-CB 4.27Å
44Y75.5Confident76.2Confident179 Ų179125.6 Ų125.670%0.70261%0.61SS**  trans-113141.7172.354.4-88.1000109.8D46Y44-D46 VanDerWaalsContact CE2-OD2 3.25Å; Y44-D46 WeakPolarHBondContact CE2-OD2 3.42Å
45L81.5Confident75.9Confident125 Ų125128.4 Ų128.465%0.65463%0.627SS**  trans-98.5106.2169.1-17764.6000108.5W43 L47W43-L45 HydrophobicContact CZ3-CB 4.27Å; L45-L47 HydrophobicContact CD2-CD1 4.12Å; L45-L47 HydrophobicContact CD2-CD2 4.23Å; L45-L47 HydrophobicContact CD2-CG 4.17Å; L45-L47 HydrophobicContact CG-CD1 4.5Å; L45-L47 HydrophobicContact CG-CD2 4.17Å; L45-L47 HydrophobicContact CG-CG 4.06Å; L45-L47 PolarHBondContact O-N 3.41Å
46D73.9Confident75.6Confident83 Ų83130.3 Ų130.344%0.44464%0.643SS.*  trans-74.5107.6175.7-84.3-27.1000110.4Y44 P48 K51Y44-D46 VanDerWaalsContact CE2-OD2 3.25Å; Y44-D46 WeakPolarHBondContact CE2-OD2 3.42Å; D46-P48 WeakPolarHBondContact O-CD 3.29Å; D46-K51 IonicContact OD1-NZ 2.68Å; D46-K51 PolarHBondContact OD1-NZ 3.2Å
47L77.7Confident75.7Confident84 Ų84130.1 Ų130.144%0.4465%0.651SS.*  trans-110.394.3168.9-61.8176.6000108.6L45 E49 L50 K51L45-L47 HydrophobicContact CD2-CD1 4.12Å; L45-L47 HydrophobicContact CD2-CD2 4.23Å; L45-L47 HydrophobicContact CD2-CG 4.17Å; L45-L47 HydrophobicContact CG-CD1 4.5Å; L45-L47 HydrophobicContact CG-CD2 4.17Å; L45-L47 HydrophobicContact CG-CG 4.06Å; L45-L47 PolarHBondContact O-N 3.41Å; L47-E49 PolarHBondContact O-N 3.13Å; L47-E49 VanDerWaalsContact O-N 3.12Å; L47-L50 HydrophobicContact CB-CB 4.49Å; L47-L50 HydrophobicContact CB-CD1 3.68Å; L47-L50 HydrophobicContact CD1-CD1 3.59Å; L47-L50 HydrophobicContact CG-CD1 4.28Å; L47-L50 PolarHBondContact O-N 3.25Å; L47-L50 VanDerWaalsContact O-N 3.11Å; L47-K51 PolarHBondContact O-N 3.02Å
48P74.9Confident75.8Confident98 Ų98131.1 Ų131.164%0.63666%0.656SS**Hα-helixtrans-55.9-30.1-177.7-26.534.8000113.7D46 L50 K51 A52D46-P48 WeakPolarHBondContact O-CD 3.29Å; P48-L50 VanDerWaalsContact C-N 3.34Å; P48-L50 PolarHBondContact O-N 3.43Å; P48-K51 PolarHBondContact O-N 3.11Å; P48-A52 PolarHBondContact O-N 3.49Å; P48-A52 VanDerWaalsContact O-N 3.16Å
49E71Confident75.9Confident152 Ų152135.8 Ų135.871%0.7168%0.676SS**Hα-helixtrans-69-27.8-179.6-62.5-176.5-178.300114L47 K53L47-E49 PolarHBondContact O-N 3.13Å; L47-E49 VanDerWaalsContact O-N 3.12Å; E49-K53 WeakPolarHBondContact O-CG 3.41Å
50L65.8Low76.3Confident121 Ų121137.9 Ų137.963%0.63468%0.678SS**Hα-helixtrans-85.4-33.6175.1-81115.2000111.8L47 P48 A52 K53L47-L50 HydrophobicContact CB-CB 4.49Å; L47-L50 HydrophobicContact CB-CD1 3.68Å; L47-L50 HydrophobicContact CD1-CD1 3.59Å; L47-L50 HydrophobicContact CG-CD1 4.28Å; L47-L50 PolarHBondContact O-N 3.25Å; L47-L50 VanDerWaalsContact O-N 3.11Å; P48-L50 VanDerWaalsContact C-N 3.34Å; P48-L50 PolarHBondContact O-N 3.43Å; L50-A52 VanDerWaalsContact C-N 3.28Å; L50-A52 PolarHBondContact O-N 3.03Å; L50-K53 CarbonylContact O-C 3.42Å; L50-K53 PolarHBondContact O-N 3.22Å
51K63.5Low76.6Confident148 Ų148141.7 Ų141.764%0.64369%0.688SS**Hα-helixtrans-63.3-34.6173.9-75.6179.9172172.60112.3D46 L47 P48 K53D46-K51 IonicContact OD1-NZ 2.68Å; D46-K51 PolarHBondContact OD1-NZ 3.2Å; L47-K51 PolarHBondContact O-N 3.02Å; P48-K51 PolarHBondContact O-N 3.11Å; K51-K53 VanDerWaalsContact C-N 3.32Å
52A65.4Low76.8Confident88 Ų88137.5 Ų137.573%0.72767%0.674SS**THydrogen-bonded Turntrans-76.9-19177.200000113.6P48 L50P48-A52 PolarHBondContact O-N 3.49Å; P48-A52 VanDerWaalsContact O-N 3.16Å; L50-A52 VanDerWaalsContact C-N 3.28Å; L50-A52 PolarHBondContact O-N 3.03Å
53K67.4Low76.9Confident157 Ų157136.4 Ų136.468%0.68367%0.672SS**SBendtrans-105.865.7177.5-65.7176.5-174.1172.10108.9E49 L50 K51E49-K53 WeakPolarHBondContact O-CG 3.41Å; L50-K53 CarbonylContact O-C 3.42Å; L50-K53 PolarHBondContact O-N 3.22Å; K51-K53 VanDerWaalsContact C-N 3.32Å
54E70.3Confident77Confident166 Ų166131 Ų13178%0.77666%0.663SS**  trans-61.3150.5166.2-169.6166.1-160.800109.6L56E54-L56 PolarHBondContact O-N 3.07Å
55N77.1Confident77.3Confident129 Ų129126.5 Ų126.569%0.6966%0.655SS**  trans-65.3110.9-177.2-65.2-35.2000109.6I57 I58N55-I57 PolarHBondContact O-N 3.16Å; N55-I58 HydrophobicContact CB-CG1 4.2Å
56L78.8Confident77.2Confident174 Ų174125.6 Ų125.691%0.91166%0.659SS**SBendtrans-65.9-27.9177.1-89.585.9000112.9E54E54-L56 PolarHBondContact O-N 3.07Å
57I85.8Confident77.5Confident146 Ų146126.3 Ų126.375%0.74966%0.659SS**  trans-136127.8-178.1-56.1174.9000107.5N55N55-I57 PolarHBondContact O-N 3.16Å
58I82.4Confident77.5Confident117 Ų117128.7 Ų128.760%0.667%0.672SS**  trans-114.2116.4177.8-56.7173.6000106.9N55 E60N55-I58 HydrophobicContact CB-CG1 4.2Å; I58-E60 HydrophobicContact CG2-CG 3.9Å; I58-E60 PolarHBondContact O-N 2.78Å
59E82.6Confident77.9Confident187 Ų187129.2 Ų129.287%0.87467%0.669SS**  trans-84.5103.4175.2-67.6-179.1-177.800109.3
60E83.8Confident78.5Confident120 Ų120126.1 Ų126.156%0.56166%0.657SS**  trans-99.3134.1174-63.6-165.316800111I58 S62 P65I58-E60 HydrophobicContact CG2-CG 3.9Å; I58-E60 PolarHBondContact O-N 2.78Å; E60-S62 VanDerWaalsContact C-N 3.3Å; E60-P65 VanDerWaalsContact OE2-CG 3.31Å; E60-P65 WeakPolarHBondContact OE2-CG 3.49Å
61K87Confident79.5Confident216 Ų216123.7 Ų123.794%0.93964%0.64SS**  trans-84.6-7.7176.2-64.4-179.9-179.4175.10112.8
62S84.5Confident80.5Confident53 Ų53120 Ų12037%0.37164%0.643SS.*  trans-86.1134.2-179.841.50000111E60 V64 P65E60-S62 VanDerWaalsContact C-N 3.3Å; S62-V64 VanDerWaalsContact C-N 3.32Å; S62-P65 WeakPolarHBondContact O-CD 3.33Å
63L84.5Confident81.6Confident104 Ų104123 Ų12355%0.54564%0.636SS.*SBendtrans-82.3-13.2170.4-64.7169000112.5P65 C66 E67L63-P65 VanDerWaalsContact C-CD 3.44Å; L63-C66 CarbonylContact O-C 3.59Å; L63-C66 WeakPolarHBondContact O-CA 3.48Å; L63-C66 PolarHBondContact O-N 2.97Å; L63-E67 PolarHBondContact O-N 3.42Å
64V84.1Confident82.5Confident105 Ų105119.8 Ų119.864%0.63663%0.625SS**THydrogen-bonded Turntrans-53.5-40-177.6-177.50000114.2S62 C66 E67 L69S62-V64 VanDerWaalsContact C-N 3.32Å; V64-C66 VanDerWaalsContact C-N 3.3Å; V64-E67 VanDerWaalsContact O-O 3.07Å; V64-L69 HydrophobicContact CG2-CD1 4.49Å
65P81.7Confident83.2Confident83 Ų83112.6 Ų112.654%0.53959%0.593SS.*THydrogen-bonded Turntrans-74.8-21.2176.1-1328.5000113.6E60 S62 L63E60-P65 VanDerWaalsContact OE2-CG 3.31Å; E60-P65 WeakPolarHBondContact OE2-CG 3.49Å; S62-P65 WeakPolarHBondContact O-CD 3.33Å; L63-P65 VanDerWaalsContact C-CD 3.44Å
66C80.1Confident83.7Confident107 Ų107112 Ų11272%0.72358%0.584SS**THydrogen-bonded Turntrans-94.8-34.6-174.2-61.80000112.4L63 V64L63-C66 CarbonylContact O-C 3.59Å; L63-C66 WeakPolarHBondContact O-CA 3.48Å; L63-C66 PolarHBondContact O-N 2.97Å; V64-C66 VanDerWaalsContact C-N 3.3Å
67E78.4Confident84.1Confident98 Ų98113.4 Ų113.446%0.45858%0.583SS.*SBendtrans-114.6121.3-179.8-66.3-178.5175.700108.5L63 V64 L69L63-E67 PolarHBondContact O-N 3.42Å; V64-E67 VanDerWaalsContact O-O 3.07Å; E67-L69 HydrophobicContact CB-CD1 4.31Å; E67-L69 HydrophobicContact CB-CD2 4.34Å; E67-L69 HydrophobicContact CB-CG 3.88Å; E67-L69 PolarHBondContact O-N 3.41Å
68D79.4Confident84.1Confident134 Ų134108.5 Ų108.572%0.71757%0.568SS**  trans-69.165.8173.5-82.1-9000110.4K93D68-K93 IonicContact OD2-NZ 3.27Å; D68-K93 PolarHBondContact OD2-NZ 2.95Å
69L82.4Confident84.2Confident108 Ų108111.6 Ų111.657%0.56558%0.578SS**PPolyproline II helixtrans-67.8133.2-173.7-70.7159.6000111.3V64 E67V64-L69 HydrophobicContact CG2-CD1 4.49Å; E67-L69 HydrophobicContact CB-CD1 4.31Å; E67-L69 HydrophobicContact CB-CD2 4.34Å; E67-L69 HydrophobicContact CB-CG 3.88Å; E67-L69 PolarHBondContact O-N 3.41Å
70L83.9Confident84.5Confident88 Ų88105.6 Ų105.646%0.46155%0.551SS.*PPolyproline II helixtrans-72.2155.3172.2-64.5175.1000111.5G72 N91 D94L70-G72 PolarHBondContact O-N 3.06Å; L70-N91 HydrophobicContact CD2-CB 4.05Å; L70-D94 WeakPolarHBondContact CD2-OD2 3.34Å
71Y86.4Confident84.7Confident70 Ų70104 Ų10428%0.27555%0.552SS.*PPolyproline II helixtrans-61.4118.1172-174.9-115.8000111R73 L86 L90 N91Y71-R73 VanDerWaalsContact C-N 3.33Å; Y71-R73 HydrophobicContact CD1-CB 4.22Å; Y71-R73 WeakPolarHBondContact CD1-O 3.4Å; Y71-R73 HydrophobicContact CE1-CB 3.58Å; Y71-R73 HydrophobicContact CE1-CG 4.37Å; Y71-R73 WeakPolarHBondContact CE1-O 3.24Å; Y71-R73 PolarHBondContact O-N 3.47Å; Y71-L86 HydrophobicContact CE1-CB 4.45Å; Y71-L90 HydrophobicContact CD1-CB 4.46Å; Y71-L90 HydrophobicContact CD1-CD2 4.14Å; Y71-L90 HydrophobicContact CD2-CB 4.5Å; Y71-L90 HydrophobicContact CD2-CD2 3.35Å; Y71-L90 HydrophobicContact CE1-CD2 4.25Å; Y71-L90 HydrophobicContact CE2-CD2 3.51Å; Y71-L90 HydrophobicContact CG-CB 4.07Å; Y71-L90 HydrophobicContact CG-CD2 3.69Å; Y71-N91 VanDerWaalsContact CB-OD1 3.25Å; Y71-N91 WeakPolarHBondContact CB-OD1 3.24Å; Y71-N91 PolarHBondContact N-ND2 3.33Å; Y71-N91 PolarHBondContact N-OD1 3.47Å
72G85.3Confident84.8Confident69 Ų69100.9 Ų100.971%0.71154%0.54SS*.SBendtrans-73.1-14.8-16900000116.1L70 M74L70-G72 PolarHBondContact O-N 3.06Å; G72-M74 PolarHBondContact O-N 2.86Å
73R88.1Confident85Confident152 Ų15298.9 Ų98.957%0.57453%0.526SS*.  trans-90.1106.9174.6-63.8-177.570.9-175.71.3109.1Y71 V83Y71-R73 VanDerWaalsContact C-N 3.33Å; Y71-R73 HydrophobicContact CD1-CB 4.22Å; Y71-R73 WeakPolarHBondContact CD1-O 3.4Å; Y71-R73 HydrophobicContact CE1-CB 3.58Å; Y71-R73 HydrophobicContact CE1-CG 4.37Å; Y71-R73 WeakPolarHBondContact CE1-O 3.24Å; Y71-R73 PolarHBondContact O-N 3.47Å; R73-V83 HydrophobicContact CB-CG1 4.35Å
74M85.9Confident85.1Confident90 Ų9096.4 Ų96.444%0.44351%0.512SS..  trans-125.3141.6179.944.2-179.860.500110G72 F76 M87G72-M74 PolarHBondContact O-N 2.86Å; M74-F76 HydrophobicContact CB-CE2 4.17Å; M74-F76 HydrophobicContact CB-CZ 4.07Å; M74-F76 HydrophobicContact CG-CE2 4.07Å; M74-F76 HydrophobicContact CG-CZ 4.19Å; M74-F76 HydrophobicContact SD-CE2 3.89Å; M74-F76 HydrophobicContact SD-CZ 3.69Å; M74-M87 HydrophobicContact CB-SD 3.7Å
75S85.8Confident85.3Confident15 Ų1598.3 Ų98.311%0.10551%0.511CS..  trans-129.7149.2167.552.30000108.1N80 V83 E84S75-N80 PolarHBondContact OG-O 3.45Å; S75-V83 WeakPolarHBondContact OG-CB 3.25Å; S75-V83 WeakPolarHBondContact OG-CG1 3.03Å; S75-E84 WeakPolarHBondContact O-CG 3.41Å; S75-E84 WeakPolarHBondContact OG-CG 3.21Å; S75-E84 PolarHBondContact OG-N 3.08Å
76F86Confident85.6Confident117 Ų11797.6 Ų97.651%0.51350%0.503SS..  trans-126.4156.7-178-58-78.5000109.1M74 G78 F79 E84 M87M74-F76 HydrophobicContact CB-CE2 4.17Å; M74-F76 HydrophobicContact CB-CZ 4.07Å; M74-F76 HydrophobicContact CG-CE2 4.07Å; M74-F76 HydrophobicContact CG-CZ 4.19Å; M74-F76 HydrophobicContact SD-CE2 3.89Å; M74-F76 HydrophobicContact SD-CZ 3.69Å; F76-G78 PolarHBondContact O-N 3.36Å; F76-F79 WeakPolarHBondContact O-CD2 3.5Å; F76-F79 PolarHBondContact O-N 3.08Å; F76-E84 VanDerWaalsContact C-OE1 3.28Å; F76-M87 HydrophobicContact CE1-CE 4.31Å
77K87.1Confident85.9Confident202 Ų20294 Ų9488%0.87848%0.475SS*.THydrogen-bonded Turntrans57.530.8171.3-57.4-175176.5-175.70114.7F79K77-F79 HydrophobicContact CB-CD2 4.36Å; K77-F79 HydrophobicContact CB-CE2 4.48Å; K77-F79 PolarHBondContact O-N 3Å
78G86.2Confident86.2Confident43 Ų4392.2 Ų92.244%0.44347%0.471SS..THydrogen-bonded Turntrans76.616.917300000114.8F76 N80 E84F76-G78 PolarHBondContact O-N 3.36Å; G78-N80 PolarHBondContact O-N 3.35Å; G78-E84 VanDerWaalsContact CA-OE1 3.24Å; G78-E84 WeakPolarHBondContact CA-OE1 3.47Å; G78-E84 PolarHBondContact N-OE1 3.46Å
79F84.8Confident86.6Confident183 Ų18391.7 Ų91.780%0.80347%0.468SS*.SBendtrans-65.1-30.4176.7-86.8-102.5000112.3F76 K77F76-F79 WeakPolarHBondContact O-CD2 3.5Å; F76-F79 PolarHBondContact O-N 3.08Å; K77-F79 HydrophobicContact CB-CD2 4.36Å; K77-F79 HydrophobicContact CB-CE2 4.48Å; K77-F79 PolarHBondContact O-N 3Å
80N89.3Confident86.8Confident60 Ų6090.7 Ų90.732%0.32146%0.463SS..  trans-150.797.6170.9-171.7-19.7000110.8S75 G78 E82 V83 E84S75-N80 PolarHBondContact OG-O 3.45Å; G78-N80 PolarHBondContact O-N 3.35Å; N80-E82 PolarHBondContact O-N 2.82Å; N80-E82 VanDerWaalsContact O-N 3.16Å; N80-E82 WeakPolarHBondContact OD1-CB 3.34Å; N80-E82 PolarHBondContact OD1-N 3.22Å; N80-E82 VanDerWaalsContact OD1-N 3.07Å; N80-V83 HydrophobicContact CB-CB 4.09Å; N80-V83 HydrophobicContact CB-CG2 4.2Å; N80-V83 VanDerWaalsContact ND2-CG2 3.34Å; N80-V83 WeakPolarHBondContact ND2-CG2 3.09Å; N80-V83 PolarHBondContact O-N 3.02Å; N80-V83 VanDerWaalsContact O-N 3.08Å; N80-V83 PolarHBondContact OD1-N 3.39Å; N80-E84 PolarHBondContact O-N 3.45Å
81P88.7Confident86.8Confident88 Ų8887 Ų8757%0.57144%0.443SS*.Hα-helixtrans-60.3-26.4-179.2-25.634.8000114.5K85P81-K85 WeakPolarHBondContact O-CB 3.49Å; P81-K85 PolarHBondContact O-N 3.29Å; P81-K85 VanDerWaalsContact O-N 3.11Å
82E88.2Confident86.1Confident149 Ų14988 Ų8870%0.69646%0.459SS*.Hα-helixtrans-72.2-37.8177.1-61.9-173162.800111.5N80 L86N80-E82 PolarHBondContact O-N 2.82Å; N80-E82 VanDerWaalsContact O-N 3.16Å; N80-E82 WeakPolarHBondContact OD1-CB 3.34Å; N80-E82 PolarHBondContact OD1-N 3.22Å; N80-E82 VanDerWaalsContact OD1-N 3.07Å; E82-L86 WeakPolarHBondContact O-CD1 3.32Å; E82-L86 WeakPolarHBondContact O-CG 3.34Å; E82-L86 PolarHBondContact O-N 3.17Å
83V89.3Confident85.2Confident11 Ų1191 Ų917%0.06745%0.452CS..Hα-helixtrans-75.4-37.2178.5173.80000111R73 S75 N80 K85 L86 M87R73-V83 HydrophobicContact CB-CG1 4.35Å; S75-V83 WeakPolarHBondContact OG-CB 3.25Å; S75-V83 WeakPolarHBondContact OG-CG1 3.03Å; N80-V83 HydrophobicContact CB-CB 4.09Å; N80-V83 HydrophobicContact CB-CG2 4.2Å; N80-V83 VanDerWaalsContact ND2-CG2 3.34Å; N80-V83 WeakPolarHBondContact ND2-CG2 3.09Å; N80-V83 PolarHBondContact O-N 3.02Å; N80-V83 VanDerWaalsContact O-N 3.08Å; N80-V83 PolarHBondContact OD1-N 3.39Å; V83-K85 VanDerWaalsContact C-N 3.34Å; V83-K85 PolarHBondContact O-N 2.9Å; V83-L86 PolarHBondContact O-N 2.78Å; V83-M87 WeakPolarHBondContact O-CB 3.48Å; V83-M87 PolarHBondContact O-N 3.1Å
84E86.8Confident83.8Confident53 Ų5385.9 Ų85.925%0.24844%0.436CS..Hα-helixtrans-58.5-45.5170.4-87.5158-148.300111.6S75 F76 G78 N80 L86 M87 V88S75-E84 WeakPolarHBondContact O-CG 3.41Å; S75-E84 WeakPolarHBondContact OG-CG 3.21Å; S75-E84 PolarHBondContact OG-N 3.08Å; F76-E84 VanDerWaalsContact C-OE1 3.28Å; G78-E84 VanDerWaalsContact CA-OE1 3.24Å; G78-E84 WeakPolarHBondContact CA-OE1 3.47Å; G78-E84 PolarHBondContact N-OE1 3.46Å; N80-E84 PolarHBondContact O-N 3.45Å; E84-L86 VanDerWaalsContact C-N 3.34Å; E84-L86 PolarHBondContact O-N 2.73Å; E84-M87 WeakPolarHBondContact O-CB 3.42Å; E84-M87 PolarHBondContact O-N 2.8Å; E84-V88 WeakPolarHBondContact O-CG2 3.48Å; E84-V88 PolarHBondContact O-N 3.46Å
85K88.3Confident82.4Confident145 Ų14585.4 Ų85.463%0.6343%0.433SS*.Hα-helixtrans-63.3-39.4175.3-173.3178.4-66.7179.50112.6P81 V83 L89P81-K85 WeakPolarHBondContact O-CB 3.49Å; P81-K85 PolarHBondContact O-N 3.29Å; P81-K85 VanDerWaalsContact O-N 3.11Å; V83-K85 VanDerWaalsContact C-N 3.34Å; V83-K85 PolarHBondContact O-N 2.9Å; K85-L89 HydrophobicContact CG-CD1 4.29Å; K85-L89 VanDerWaalsContact O-CG 3.3Å; K85-L89 WeakPolarHBondContact O-CG 3.49Å; K85-L89 PolarHBondContact O-N 3.44Å; K85-L89 VanDerWaalsContact O-N 3.08Å
86L87.7Confident80.9Confident68 Ų6893.4 Ų93.436%0.35647%0.466SS..Hα-helixtrans-65.2-41.1175.4-79.1162.3000111.7Y71 E82 V83 E84 L89 L90Y71-L86 HydrophobicContact CE1-CB 4.45Å; E82-L86 WeakPolarHBondContact O-CD1 3.32Å; E82-L86 WeakPolarHBondContact O-CG 3.34Å; E82-L86 PolarHBondContact O-N 3.17Å; V83-L86 PolarHBondContact O-N 2.78Å; E84-L86 VanDerWaalsContact C-N 3.34Å; E84-L86 PolarHBondContact O-N 2.73Å; L86-L89 PolarHBondContact O-N 3.03Å; L86-L90 HydrophobicContact CD2-CD1 4.39Å; L86-L90 WeakPolarHBondContact O-CB 2.99Å; L86-L90 WeakPolarHBondContact O-CD1 3.48Å; L86-L90 PolarHBondContact O-N 3.47Å
87M86.6Confident79.3Confident30 Ų3094.8 Ų94.815%0.14847%0.474CS..Hα-helixtrans-58.8-49.2176.3175.7177.4169.200110.7M74 F76 V83 E84 L89 L90 N91M74-M87 HydrophobicContact CB-SD 3.7Å; F76-M87 HydrophobicContact CE1-CE 4.31Å; V83-M87 WeakPolarHBondContact O-CB 3.48Å; V83-M87 PolarHBondContact O-N 3.1Å; E84-M87 WeakPolarHBondContact O-CB 3.42Å; E84-M87 PolarHBondContact O-N 2.8Å; M87-L89 PolarHBondContact O-N 3.01Å; M87-L90 PolarHBondContact O-N 2.74Å; M87-N91 VanDerWaalsContact O-CB 3.29Å; M87-N91 WeakPolarHBondContact O-CB 3.45Å; M87-N91 PolarHBondContact O-N 3.42Å
88V85.2Confident77.6Confident62 Ų6291.6 Ų91.638%0.37646%0.462SS..Hα-helixtrans-56.3-48.9175.4159.40000112.3E84 L90 E95E84-V88 WeakPolarHBondContact O-CG2 3.48Å; E84-V88 PolarHBondContact O-N 3.46Å; V88-L90 VanDerWaalsContact C-N 3.34Å; V88-L90 PolarHBondContact O-N 3.02Å; V88-E95 WeakPolarHBondContact CG1-OE1 3.31Å; V88-E95 VanDerWaalsContact CG2-OE1 3.31Å; V88-E95 WeakPolarHBondContact CG2-OE1 3.47Å
89L86.5Confident76Confident123 Ų12396.1 Ų96.164%0.64447%0.472SS*.Hα-helixtrans-67-34.4-177-72.4173.4000113.2K85 L86 M87K85-L89 HydrophobicContact CG-CD1 4.29Å; K85-L89 VanDerWaalsContact O-CG 3.3Å; K85-L89 WeakPolarHBondContact O-CG 3.49Å; K85-L89 PolarHBondContact O-N 3.44Å; K85-L89 VanDerWaalsContact O-N 3.08Å; L86-L89 PolarHBondContact O-N 3.03Å; M87-L89 PolarHBondContact O-N 3.01Å
90L86.1Confident74.2Confident87 Ų8789.7 Ų89.746%0.45546%0.457SS..Hα-helixtrans-92.6-22-175.3-84.869.8000112.9Y71 L86 M87 V88 P92Y71-L90 HydrophobicContact CD1-CB 4.46Å; Y71-L90 HydrophobicContact CD1-CD2 4.14Å; Y71-L90 HydrophobicContact CD2-CB 4.5Å; Y71-L90 HydrophobicContact CD2-CD2 3.35Å; Y71-L90 HydrophobicContact CE1-CD2 4.25Å; Y71-L90 HydrophobicContact CE2-CD2 3.51Å; Y71-L90 HydrophobicContact CG-CB 4.07Å; Y71-L90 HydrophobicContact CG-CD2 3.69Å; L86-L90 HydrophobicContact CD2-CD1 4.39Å; L86-L90 WeakPolarHBondContact O-CB 2.99Å; L86-L90 WeakPolarHBondContact O-CD1 3.48Å; L86-L90 PolarHBondContact O-N 3.47Å; M87-L90 PolarHBondContact O-N 2.74Å; V88-L90 VanDerWaalsContact C-N 3.34Å; V88-L90 PolarHBondContact O-N 3.02Å; L90-P92 VanDerWaalsContact C-CD 3.41Å; L90-P92 VanDerWaalsContact O-CD 3.24Å; L90-P92 WeakPolarHBondContact O-CD 3.41Å
91N84Confident72.3Confident10 Ų1094.1 Ų94.15%0.05348%0.475CS..  trans-117.169.7179-60.4-20.7000111.6L70 Y71 M87 K93 D94L70-N91 HydrophobicContact CD2-CB 4.05Å; Y71-N91 VanDerWaalsContact CB-OD1 3.25Å; Y71-N91 WeakPolarHBondContact CB-OD1 3.24Å; Y71-N91 PolarHBondContact N-ND2 3.33Å; Y71-N91 PolarHBondContact N-OD1 3.47Å; M87-N91 VanDerWaalsContact O-CB 3.29Å; M87-N91 WeakPolarHBondContact O-CB 3.45Å; M87-N91 PolarHBondContact O-N 3.42Å; N91-K93 PolarHBondContact O-N 3.21Å; N91-D94 PolarHBondContact O-N 3.2Å
92P73.1Confident70.3Confident92 Ų9296.4 Ų96.460%0.59748%0.483SS*.THydrogen-bonded Turntrans-70.6-5.1-174.830.3-37.7000114.6L90L90-P92 VanDerWaalsContact C-CD 3.41Å; L90-P92 VanDerWaalsContact O-CD 3.24Å; L90-P92 WeakPolarHBondContact O-CD 3.41Å
93K65.2Low68.5Low130 Ų13094.9 Ų94.957%0.56548%0.483SS*.THydrogen-bonded Turntrans-83.2-30.1-178.4-66.7-176.1-176.7174.90112.3D68 N91D68-K93 IonicContact OD2-NZ 3.27Å; D68-K93 PolarHBondContact OD2-NZ 2.95Å; N91-K93 PolarHBondContact O-N 3.21Å
94D58.8Low66.6Low46 Ų4699.1 Ų99.125%0.24651%0.514CS..THydrogen-bonded Turntrans-79.7-26.9-170-59.7-24.8000113L70 N91 K96 E97 E98L70-D94 WeakPolarHBondContact CD2-OD2 3.34Å; N91-D94 PolarHBondContact O-N 3.2Å; D94-K96 PolarHBondContact O-N 3.41Å; D94-E97 PolarHBondContact O-N 3.46Å; D94-E97 VanDerWaalsContact O-N 3.13Å; D94-E98 PolarHBondContact O-N 3.35Å
95E56.5Low64.7Low80 Ų80100.6 Ų100.637%0.37453%0.529SS..Hα-helixtrans-63.7-27.8-179-65.3-159.9137.300113.5V88 E97 E99V88-E95 WeakPolarHBondContact CG1-OE1 3.31Å; V88-E95 VanDerWaalsContact CG2-OE1 3.31Å; V88-E95 WeakPolarHBondContact CG2-OE1 3.47Å; E95-E97 VanDerWaalsContact C-N 3.27Å; E95-E97 PolarHBondContact O-N 3.1Å; E95-E99 WeakPolarHBondContact O-CB 3.41Å; E95-E99 PolarHBondContact O-N 3.2Å
96K53.7Low63.1Low182 Ų182100.9 Ų100.979%0.79153%0.534SS*.Hα-helixtrans-71.7-23.1178.9-70.3-176.8-177.4175.20113.2D94D94-K96 PolarHBondContact O-N 3.41Å
97E52.4Low61.5Low147 Ų147106 Ų10669%0.68756%0.556SS**Hα-helixtrans-92.5-42.2-179.5-66.6-176.3178.800110.5D94 E95D94-E97 PolarHBondContact O-N 3.46Å; D94-E97 VanDerWaalsContact O-N 3.13Å; E95-E97 VanDerWaalsContact C-N 3.27Å; E95-E97 PolarHBondContact O-N 3.1Å
98E53.3Low60.6Low135 Ų135109.6 Ų109.663%0.63158%0.58SS**Hα-helixtrans-74-38.3-179.5-75.9-165.7160.500114.1D94 G100 E101D94-E98 PolarHBondContact O-N 3.35Å; E98-G100 PolarHBondContact O-N 3.19Å; E98-E101 PolarHBondContact O-N 3Å
99E52.3Low60Low138 Ų138114.2 Ų114.265%0.64560%0.603SS**Hα-helixtrans-69.1-20.7178-70.9-16915900113E95 V103E95-E99 WeakPolarHBondContact O-CB 3.41Å; E95-E99 PolarHBondContact O-N 3.2Å; E99-V103 WeakPolarHBondContact O-CG2 3.36Å
100G45.3Very low59.5Low47 Ų47110.7 Ų110.749%0.48559%0.586SS.*Hα-helixtrans-78.4-28.2-179.800000114.3E98 S104E98-G100 PolarHBondContact O-N 3.19Å; G100-S104 VanDerWaalsContact O-CB 3.25Å; G100-S104 WeakPolarHBondContact O-CB 3.31Å
101E49.5Very low59.4Low153 Ų153110.8 Ų110.872%0.71559%0.59SS**Hα-helixtrans-87.7-40.8-174.2-69.8-169.9163.400112.6E98E98-E101 PolarHBondContact O-N 3Å
102D47.5Very low59.4Low137 Ų137116.5 Ų116.573%0.73362%0.621SS**Hα-helixtrans-79.3-25.8-174.2-89.7-19.6000114.1
103V49.9Very low59.8Low116 Ų116119.3 Ų119.370%0.70363%0.626SS**THydrogen-bonded Turntrans-90.1-21.5-178.7-166.70000112.4E99E99-V103 WeakPolarHBondContact O-CG2 3.36Å
104S49.4Very low60.6Low101 Ų101117 Ų11771%0.70662%0.617SS**THydrogen-bonded Turntrans-80.5-25.2-173.4179.10000113.9G100G100-S104 VanDerWaalsContact O-CB 3.25Å; G100-S104 WeakPolarHBondContact O-CB 3.31Å
105C48.1Very low61.9Low83 Ų83118.8 Ų118.856%0.56163%0.625SS**THydrogen-bonded Turntrans-108.340.5-174.384.90000114.7Q107C105-Q107 VanDerWaalsContact C-N 3.25Å; C105-Q107 PolarHBondContact O-N 2.81Å
106M53.5Low63.2Low152 Ų152117.8 Ų117.875%0.74963%0.631SS**  trans-62.698.7155.9-73-76.3157.800106.8T108M106-T108 VanDerWaalsContact C-N 3.25Å; M106-T108 PolarHBondContact O-N 2.92Å
107Q55.3Low64.6Low175 Ų175114.7 Ų114.782%0.81862%0.622SS**  trans-6490.6177.2-68.1-176.215.100107.9C105 D109C105-Q107 VanDerWaalsContact C-N 3.25Å; C105-Q107 PolarHBondContact O-N 2.81Å; Q107-D109 PolarHBondContact O-N 3.43Å
108T66.9Low66Low106 Ų106115.1 Ų115.165%0.6562%0.617SS**  trans-75.8113.5170.6510000107.1M106 V110M106-T108 VanDerWaalsContact C-N 3.25Å; M106-T108 PolarHBondContact O-N 2.92Å; T108-V110 PolarHBondContact O-N 3.08Å
109D72.4Confident67.4Low159 Ų159115.5 Ų115.585%0.8561%0.614SS**SBendtrans-58.9-11.5178.1-67.7-37.5000113.7Q107Q107-D109 PolarHBondContact O-N 3.43Å
110V76.9Confident68.7Low49 Ų49115.9 Ų115.930%0.29762%0.616SS.*SBendtrans-133.4125.9-178.2-173.40000109.1T108 E114 M115T108-V110 PolarHBondContact O-N 3.08Å; V110-E114 HydrophobicContact CG1-CB 3.96Å; V110-E114 HydrophobicContact CG1-CG 4.29Å; V110-M115 HydrophobicContact CG1-CB 4.32Å
111T84.3Confident70.3Confident88 Ų88117.6 Ų117.654%0.5462%0.621SS.*  trans-72.8145.8173.2-46.10000110.5E113 E114 M115T111-E113 HydrophobicContact CG2-CB 4.48Å; T111-E113 HydrophobicContact CG2-CG 4.49Å; T111-E113 PolarHBondContact O-N 2.99Å; T111-E113 VanDerWaalsContact O-N 3.1Å; T111-E114 PolarHBondContact O-N 3.28Å; T111-M115 PolarHBondContact O-N 3.04Å
112D82.4Confident71.6Confident130 Ų130114.8 Ų114.870%0.69561%0.61SS**Hα-helixtrans-53.2-34179.7-72.5-14.8000113.2M115 A116D112-M115 PolarHBondContact O-N 2.88Å; D112-A116 WeakPolarHBondContact O-CB 3.24Å; D112-A116 PolarHBondContact O-N 3.31Å
113E82.1Confident73Confident152 Ų152112.2 Ų112.271%0.7160%0.599SS**Hα-helixtrans-62.6-43.9174.8-61.1-177.2175.200112.2T111 A116 L117T111-E113 HydrophobicContact CG2-CB 4.48Å; T111-E113 HydrophobicContact CG2-CG 4.49Å; T111-E113 PolarHBondContact O-N 2.99Å; T111-E113 VanDerWaalsContact O-N 3.1Å; E113-A116 PolarHBondContact O-N 3.47Å; E113-L117 WeakPolarHBondContact O-CG 3.44Å; E113-L117 PolarHBondContact O-N 3.42Å; E113-L117 VanDerWaalsContact O-N 3.16Å
114E81.8Confident74.1Confident80 Ų80108.6 Ų108.637%0.37459%0.585SS.*Hα-helixtrans-70.5-36.2177.8-168.2-178.7169.200111.1V110 T111 L117 R118V110-E114 HydrophobicContact CG1-CB 3.96Å; V110-E114 HydrophobicContact CG1-CG 4.29Å; T111-E114 PolarHBondContact O-N 3.28Å; E114-L117 PolarHBondContact O-N 2.88Å; E114-R118 WeakPolarHBondContact O-CG 3.36Å; E114-R118 PolarHBondContact O-N 3.44Å; E114-R118 VanDerWaalsContact O-N 3.11Å; E114-R118 IonicContact OE1-CZ 2.91Å; E114-R118 IonicContact OE1-NE 2.69Å; E114-R118 PolarHBondContact OE1-NE 3.14Å; E114-R118 IonicContact OE1-NH2 3.36Å; E114-R118 PolarHBondContact OE1-NH2 3.26Å
115M86.2Confident75.4Confident85 Ų85107.2 Ų107.242%0.41957%0.572SS.*Hα-helixtrans-60.3-46.7173-173.2176.3-59.100110.9V110 T111 D112 L117 R118 Y119V110-M115 HydrophobicContact CG1-CB 4.32Å; T111-M115 PolarHBondContact O-N 3.04Å; D112-M115 PolarHBondContact O-N 2.88Å; M115-L117 PolarHBondContact O-N 2.88Å; M115-R118 PolarHBondContact O-N 2.84Å; M115-Y119 HydrophobicContact CG-CD2 3.68Å; M115-Y119 HydrophobicContact CG-CE2 3.73Å; M115-Y119 WeakPolarHBondContact O-CD2 3.32Å; M115-Y119 PolarHBondContact O-N 3.04Å; M115-Y119 HydrophobicContact SD-CE2 4.1Å
116A84.6Confident76.6Confident59 Ų59107.3 Ų107.349%0.48857%0.566SS.*Hα-helixtrans-60.1-46.3179.200000112.6D112 E113 R118 Y119 E120D112-A116 WeakPolarHBondContact O-CB 3.24Å; D112-A116 PolarHBondContact O-N 3.31Å; E113-A116 PolarHBondContact O-N 3.47Å; A116-R118 VanDerWaalsContact C-N 3.35Å; A116-R118 PolarHBondContact O-N 2.93Å; A116-Y119 PolarHBondContact O-N 3.04Å; A116-E120 PolarHBondContact O-N 3.38Å
117L82.6Confident77.7Confident116 Ų116106.2 Ų106.261%0.60756%0.557SS**Hα-helixtrans-61.9-40.6178.3-69.5170.7000112.3E113 E114 M115 S121E113-L117 WeakPolarHBondContact O-CG 3.44Å; E113-L117 PolarHBondContact O-N 3.42Å; E113-L117 VanDerWaalsContact O-N 3.16Å; E114-L117 PolarHBondContact O-N 2.88Å; M115-L117 PolarHBondContact O-N 2.88Å; L117-S121 PolarHBondContact O-N 2.78Å
118R80.7Confident78.6Confident156 Ų156101.9 Ų101.959%0.58954%0.535SS*.Hα-helixtrans-68.1-38.3176.2-70.7-177.5-175.4-149.67111.9E114 M115 A116 L122E114-R118 WeakPolarHBondContact O-CG 3.36Å; E114-R118 PolarHBondContact O-N 3.44Å; E114-R118 VanDerWaalsContact O-N 3.11Å; E114-R118 IonicContact OE1-CZ 2.91Å; E114-R118 IonicContact OE1-NE 2.69Å; E114-R118 PolarHBondContact OE1-NE 3.14Å; E114-R118 IonicContact OE1-NH2 3.36Å; E114-R118 PolarHBondContact OE1-NH2 3.26Å; M115-R118 PolarHBondContact O-N 2.84Å; A116-R118 VanDerWaalsContact C-N 3.35Å; A116-R118 PolarHBondContact O-N 2.93Å; R118-L122 WeakPolarHBondContact O-CB 3.47Å; R118-L122 PolarHBondContact O-N 3.43Å
119Y83Confident79Confident144 Ų144104 Ų10457%0.56554%0.536SS*.Hα-helixtrans-65-42.2176-97.6-80.8000112.3M115 A116 S121 L122 V123M115-Y119 HydrophobicContact CG-CD2 3.68Å; M115-Y119 HydrophobicContact CG-CE2 3.73Å; M115-Y119 WeakPolarHBondContact O-CD2 3.32Å; M115-Y119 PolarHBondContact O-N 3.04Å; M115-Y119 HydrophobicContact SD-CE2 4.1Å; A116-Y119 PolarHBondContact O-N 3.04Å; Y119-S121 PolarHBondContact O-N 2.75Å; Y119-L122 PolarHBondContact O-N 2.97Å; Y119-V123 HydrophobicContact CD1-CG2 4.37Å; Y119-V123 VanDerWaalsContact O-CB 3.31Å; Y119-V123 WeakPolarHBondContact O-CB 3.19Å; Y119-V123 WeakPolarHBondContact O-CG2 3.25Å; Y119-V123 PolarHBondContact O-N 3.45Å
120E80.4Confident79.4Confident145 Ų145104.6 Ų104.668%0.67853%0.531SS*.Hα-helixtrans-58.6-48.5178.3-173.6177.5-173.500111.7A116 G124A116-E120 PolarHBondContact O-N 3.38Å; E120-G124 PolarHBondContact O-N 3.37Å; E120-G124 VanDerWaalsContact O-N 3.07Å
121S78.3Confident79.5Confident84 Ų84102.9 Ų102.959%0.58752%0.522SS*.Hα-helixtrans-63-44.3177.4-178.20000112.8L117 Y119 T125L117-S121 PolarHBondContact O-N 2.78Å; Y119-S121 PolarHBondContact O-N 2.75Å; S121-T125 WeakPolarHBondContact O-CG2 3.41Å; S121-T125 PolarHBondContact O-N 3.39Å; S121-T125 PolarHBondContact O-OG1 3.28Å
122L77.4Confident79.2Confident94 Ų94106.5 Ų106.549%0.49253%0.53SS..Hα-helixtrans-69.3-43.3-178.5-173.961.8000112R118 Y119 G124 T125 M126R118-L122 WeakPolarHBondContact O-CB 3.47Å; R118-L122 PolarHBondContact O-N 3.43Å; Y119-L122 PolarHBondContact O-N 2.97Å; L122-G124 PolarHBondContact O-N 2.85Å; L122-T125 PolarHBondContact O-N 2.81Å; L122-T125 PolarHBondContact O-OG1 3.38Å; L122-M126 HydrophobicContact CD1-CG 4.3Å; L122-M126 HydrophobicContact CD1-SD 4.06Å; L122-M126 HydrophobicContact CD2-SD 4.38Å; L122-M126 HydrophobicContact CG-CG 4.43Å; L122-M126 HydrophobicContact CG-SD 3.84Å; L122-M126 WeakPolarHBondContact O-CB 3.38Å; L122-M126 VanDerWaalsContact O-CG 3.27Å; L122-M126 WeakPolarHBondContact O-CG 3.18Å; L122-M126 PolarHBondContact O-N 3.38Å
123V77.6Confident78.8Confident82 Ų82109.9 Ų109.950%0.49754%0.538SS..Hα-helixtrans-67-38.1179.8173.50000111.1Y119 T125 M126 K127Y119-V123 HydrophobicContact CD1-CG2 4.37Å; Y119-V123 VanDerWaalsContact O-CB 3.31Å; Y119-V123 WeakPolarHBondContact O-CB 3.19Å; Y119-V123 WeakPolarHBondContact O-CG2 3.25Å; Y119-V123 PolarHBondContact O-N 3.45Å; V123-T125 PolarHBondContact O-N 3.09Å; V123-M126 PolarHBondContact O-N 3.42Å; V123-K127 WeakPolarHBondContact O-CB 3.46Å; V123-K127 PolarHBondContact O-N 3.06Å
124G73.1Confident78.4Confident40 Ų40113.9 Ų113.941%0.41255%0.547SS..Hα-helixtrans-59.1-43.6174.600000112.9E120 L122E120-G124 PolarHBondContact O-N 3.37Å; E120-G124 VanDerWaalsContact O-N 3.07Å; L122-G124 PolarHBondContact O-N 2.85Å
125T75.7Confident77.8Confident72 Ų72115.4 Ų115.444%0.44255%0.554SS.*Hα-helixtrans-76-33.6179.561.10000113.3S121 L122 V123S121-T125 WeakPolarHBondContact O-CG2 3.41Å; S121-T125 PolarHBondContact O-N 3.39Å; S121-T125 PolarHBondContact O-OG1 3.28Å; L122-T125 PolarHBondContact O-N 2.81Å; L122-T125 PolarHBondContact O-OG1 3.38Å; V123-T125 PolarHBondContact O-N 3.09Å
126M74.2Confident76.8Confident86 Ų86117.8 Ų117.842%0.42456%0.559SS.*Hα-helixtrans-70.8-37.9177.2-72.1-17866.600112.1L122 V123 K128 K129 F130L122-M126 HydrophobicContact CD1-CG 4.3Å; L122-M126 HydrophobicContact CD1-SD 4.06Å; L122-M126 HydrophobicContact CD2-SD 4.38Å; L122-M126 HydrophobicContact CG-CG 4.43Å; L122-M126 HydrophobicContact CG-SD 3.84Å; L122-M126 WeakPolarHBondContact O-CB 3.38Å; L122-M126 VanDerWaalsContact O-CG 3.27Å; L122-M126 WeakPolarHBondContact O-CG 3.18Å; L122-M126 PolarHBondContact O-N 3.38Å; V123-M126 PolarHBondContact O-N 3.42Å; M126-K128 VanDerWaalsContact C-N 3.29Å; M126-K128 PolarHBondContact O-N 3.29Å; M126-K129 PolarHBondContact O-N 3.14Å; M126-F130 HydrophobicContact CE-CE2 4.41Å; M126-F130 VanDerWaalsContact O-CD2 3.25Å; M126-F130 WeakPolarHBondContact O-CD2 3.25Å; M126-F130 PolarHBondContact O-N 3.34Å
127K75.2Confident75.9Confident129 Ų129118.7 Ų118.756%0.56157%0.566SS**Hα-helixtrans-57.6-40176.3-170.8173.9177.8-174.10112.2V123 K129 F130 A131 M139V123-K127 WeakPolarHBondContact O-CB 3.46Å; V123-K127 PolarHBondContact O-N 3.06Å; K127-K129 VanDerWaalsContact C-N 3.31Å; K127-K129 PolarHBondContact O-N 3.41Å; K127-F130 PolarHBondContact O-N 2.8Å; K127-A131 WeakPolarHBondContact O-CB 3.39Å; K127-A131 PolarHBondContact O-N 3Å; K127-A131 VanDerWaalsContact O-N 3.11Å; K127-M139 HydrophobicContact CD-CE 3.79Å; K127-M139 HydrophobicContact CG-CE 4.19Å
128K73.9Confident75.1Confident83 Ų83116.4 Ų116.436%0.36156%0.564SS.*Hα-helixtrans-64.3-30.5176.7-67.8-175.6-177.1-176.90112.9M126 D143M126-K128 VanDerWaalsContact C-N 3.29Å; M126-K128 PolarHBondContact O-N 3.29Å; K128-D143 IonicContact NZ-OD2 2.84Å; K128-D143 PolarHBondContact NZ-OD2 3.42Å
129K76.8Confident74.3Confident152 Ų152111.7 Ų111.766%0.66155%0.549SS*.Hα-helixtrans-73.9-35.2-179.6-66.2-176.7-178.1-178.30113M126 K127 R136M126-K129 PolarHBondContact O-N 3.14Å; K127-K129 VanDerWaalsContact C-N 3.31Å; K127-K129 PolarHBondContact O-N 3.41Å; K129-R136 PolarHBondContact O-NH2 2.96Å
130F80.1Confident73.2Confident171 Ų171110.6 Ų110.675%0.7555%0.553SS**Hα-helixtrans-97.3-6-178.3-61.1-74.8000114.3M126 K127M126-F130 HydrophobicContact CE-CE2 4.41Å; M126-F130 VanDerWaalsContact O-CD2 3.25Å; M126-F130 WeakPolarHBondContact O-CD2 3.25Å; M126-F130 PolarHBondContact O-N 3.34Å; K127-F130 PolarHBondContact O-N 2.8Å
131A78.4Confident72Confident13 Ų13111 Ų11111%0.10756%0.555CS.*SBendtrans-66.3137.4176.900000112.8K127 E135 R136K127-A131 WeakPolarHBondContact O-CB 3.39Å; K127-A131 PolarHBondContact O-N 3Å; K127-A131 VanDerWaalsContact O-N 3.11Å; A131-E135 HydrophobicContact CB-CB 4.49Å; A131-R136 HydrophobicContact CB-CG 4.12Å; A131-R136 PolarHBondContact O-NE 3.5Å
132K79.3Confident70.8Confident164 Ų164114 Ų11471%0.71357%0.565SS**  trans-68152176.3-77.1175.9179.9171.40110.6R134 E135 R136K132-R134 PolarHBondContact O-N 3.23Å; K132-E135 PolarHBondContact O-N 3.32Å; K132-R136 PolarHBondContact O-N 3.27Å
133K72.9Confident69.4Low200 Ų200114.9 Ų114.987%0.8757%0.57SS**THydrogen-bonded Turntrans-52-27.3-173.2-168.5177.2179.5-177.50114.7
134R73.3Confident67.8Low236 Ų236116.4 Ų116.489%0.89158%0.579SS**THydrogen-bonded Turntrans-78.3-29.3177.9-161.9178.7-156.2171.26.2113.8K132K132-R134 PolarHBondContact O-N 3.23Å
135E69.3Low66.4Low112 Ų112122.3 Ų122.352%0.52360%0.601SS.*THydrogen-bonded Turntrans-86-23-176-69.2173.516700112.4A131 K132 A137 A138A131-E135 HydrophobicContact CB-CB 4.49Å; K132-E135 PolarHBondContact O-N 3.32Å; E135-A137 VanDerWaalsContact C-N 3.29Å; E135-A137 PolarHBondContact O-N 2.64Å; E135-A138 PolarHBondContact O-N 3.1Å
136R67Low64.7Low136 Ų136127.6 Ų127.651%0.51362%0.621SS.*G310 helixtrans-62-34.3179.1-69.3-174.9-176.6-176-3113.5K129 A131 K132 A138 M139K129-R136 PolarHBondContact O-NH2 2.96Å; A131-R136 HydrophobicContact CB-CG 4.12Å; A131-R136 PolarHBondContact O-NE 3.5Å; K132-R136 PolarHBondContact O-N 3.27Å; R136-A138 VanDerWaalsContact C-N 3.28Å; R136-A138 PolarHBondContact O-N 2.68Å; R136-M139 PolarHBondContact O-N 3.16Å
137A64.8Low63.1Low77 Ų77130.3 Ų130.364%0.63664%0.637SS**G310 helixtrans-70.6-23-179.600000113.3E135E135-A137 VanDerWaalsContact C-N 3.29Å; E135-A137 PolarHBondContact O-N 2.64Å
138A65.9Low61.4Low69 Ų69129.8 Ų129.857%0.5764%0.644SS**G310 helixtrans-85.8-17.3179.500000113E135 R136E135-A138 PolarHBondContact O-N 3.1Å; R136-A138 VanDerWaalsContact C-N 3.28Å; R136-A138 PolarHBondContact O-N 2.68Å
139M63.5Low60Low56 Ų56130.9 Ų130.928%0.27666%0.658SS.*SBendtrans-95.7-3.9-176.1-58.2-173.292.100113.8K127 R136K127-M139 HydrophobicContact CD-CE 3.79Å; K127-M139 HydrophobicContact CG-CE 4.19Å; R136-M139 PolarHBondContact O-N 3.16Å
140D59.4Low58.3Low122 Ų122128.6 Ų128.665%0.65266%0.656SS**SBendtrans-84.4-16.4178.1-111.3-3.6000112.7
141E56.4Low56.7Low152 Ų152129.2 Ų129.271%0.7166%0.659SS**SBendtrans-83.5-22.5-178.2-64.7-75.6157.700112.9
142D52.6Low55.3Low149 Ų149135.1 Ų135.180%0.79769%0.688SS**SBendtrans-88.1-6.1-174.4-72.2-31.8000114.2
143D48.7Very low54.2Low111 Ų111132 Ų13259%0.59469%0.687SS**  trans-98.822.5-172-138.1-12.3000113.3K128K128-D143 IonicContact NZ-OD2 2.84Å; K128-D143 PolarHBondContact NZ-OD2 3.42Å
144V43.4Very low53.6Low114 Ų114132.4 Ų132.469%0.69169%0.689SS**  trans-85.8-6.3-171.9-178.10000113.7
145N44.5Very low53.3Low164 Ų164130.6 Ų130.688%0.87769%0.687SS**SBendtrans-117.843.2-169-119.32.1000116.5
146Q39.7Very low53.6Low184 Ų184129.2 Ų129.286%0.8670%0.696SS**  trans-140.272.6156.4-119.2177.12600110.9V148Q146-V148 VanDerWaalsContact C-N 3.28Å; Q146-V148 PolarHBondContact O-N 3.41Å
147N41Very low54Low142 Ų142131.9 Ų131.976%0.75971%0.711SS**  trans-78.379173.5-147.14.4000109.8V149N147-V149 VanDerWaalsContact OD1-CG2 3.29Å; N147-V149 WeakPolarHBondContact OD1-CG2 3.42Å
148V39.2Very low54.6Low119 Ų119136 Ų13672%0.72172%0.721SS**  trans-120.289152.2-1750000106.6Q146 V150Q146-V148 VanDerWaalsContact C-N 3.28Å; Q146-V148 PolarHBondContact O-N 3.41Å; V148-V150 HydrophobicContact CG1-CG2 4.03Å; V148-V150 PolarHBondContact O-N 3.2Å
149V44.1Very low55Low106 Ų106141 Ų14164%0.64273%0.73SS**  trans-6684.4172.9-177.10000108.6N147 K151N147-V149 VanDerWaalsContact OD1-CG2 3.29Å; N147-V149 WeakPolarHBondContact OD1-CG2 3.42Å; V149-K151 HydrophobicContact CG1-CG 4.07Å; V149-K151 PolarHBondContact O-N 3.36Å
150V41.3Very low55.7Low103 Ų103144 Ų14462%0.62475%0.754SS**  trans-78.4102.3158.4-175.50000106V148 N152V148-V150 HydrophobicContact CG1-CG2 4.03Å; V148-V150 PolarHBondContact O-N 3.2Å; V150-N152 PolarHBondContact O-N 3.45Å
151K46Very low55.9Low185 Ų185147.4 Ų147.480%0.80477%0.766SS**  trans-59.199171.7-68.3178.6179.41740108.1V149 S153V149-K151 HydrophobicContact CG1-CG 4.07Å; V149-K151 PolarHBondContact O-N 3.36Å; K151-S153 PolarHBondContact O-N 3.05Å
152N49.1Very low56.1Low137 Ų137151.7 Ų151.773%0.73379%0.794SS**  trans-67.197.6175.2-76.3-25.3000109.1V150V150-N152 PolarHBondContact O-N 3.45Å
153S55.8Low56.3Low99 Ų99151.9 Ų151.969%0.69279%0.794SS**  trans-60.4135.5160.153.10000108.1K151 K155K151-S153 PolarHBondContact O-N 3.05Å; S153-K155 PolarHBondContact O-N 3.11Å
154K59.8Low56.7Low207 Ų207154 Ų15490%0.981%0.805SS**  trans-57.1112.9-178.1-62.9177.8-178.9175.40108.6A156K154-A156 PolarHBondContact O-N 3.12Å; K154-A156 VanDerWaalsContact O-N 3.15Å
155K67Low57.4Low198 Ų198156.2 Ų156.286%0.86181%0.811SS**  trans-73.3105.7177.4-56.8-161.7-177.7-173.10108.3S153S153-K155 PolarHBondContact O-N 3.11Å
156A75.9Confident58.2Low84 Ų84155.8 Ų155.869%0.69481%0.807SS**  trans-84150.2169.900000109.9K154 L158K154-A156 PolarHBondContact O-N 3.12Å; K154-A156 VanDerWaalsContact O-N 3.15Å; A156-L158 PolarHBondContact O-N 3.17Å
157F76.5Confident59.3Low192 Ų192154 Ų15484%0.84280%0.804SS**  trans-67.9111.6179.5-163.6-96.3000110
158L76.8Confident60.6Low162 Ų162154.8 Ų154.885%0.84881%0.807SS**PPolyproline II helixtrans-88.2120.2172.3-86.9149.7000108.4A156A156-L158 PolarHBondContact O-N 3.17Å
159K75.1Confident62.1Low175 Ų175157.4 Ų157.476%0.76181%0.813SS**PPolyproline II helixtrans-70.8141.1172.8-75.7-175.9177.2-177.20109.8
160P76.6Confident63.5Low120 Ų120161.3 Ų161.378%0.77983%0.826SS**PPolyproline II helixtrans-60.4144.3173.1-19.632000110.9
161Q64.8Low65.3Low192 Ų192166.2 Ų166.290%0.89784%0.843SS**PPolyproline II helixtrans-82.9140.9169.7-66.4-162.3-2800109.6
162D60.6Low67.1Low243 Ų243164.5 Ų164.5100%1.29985%0.846SS**  trans-67.10174-70.7-33.7000112.1

Retrieved 162 of 162 residues in 262.1 ms (Link to these results)