A0A096MXA2_PAPAN Loading...

M-phase phosphoprotein 6

AlphaFold DB (A0A2K5LMD7), UniProt , Accession A0A096MXA2, Species PAPAN (Papio anubis, Olive baboon), Gene MPHOSPH6, Length 160 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
1M35.8Very low66.7Low244 Ų244152.2 Ų152.2100%1.20279%0.787SS**  0107.10-74.3-178170.500108.1A3M1-A3 PolarHBondContact O-N 3.13Å
2A45.5Very low68.4Low105 Ų105149.8 Ų149.887%0.86878%0.776SS**  trans-80.9114.7178.300000108.7E4A2-E4 PolarHBondContact O-N 3.42Å
3A53.9Low69.9Low91 Ų91143.5 Ų143.575%0.75274%0.744SS**  trans-62.2122.8173.600000109.3M1 R5M1-A3 PolarHBondContact O-N 3.13Å; A3-R5 PolarHBondContact O-N 2.82Å
4E55.1Low71.1Confident183 Ų183136 Ų13686%0.85571%0.705SS**  trans-55.7111.1173.4-77.1179.2156.200109.8A2 K6A2-E4 PolarHBondContact O-N 3.42Å; E4-K6 PolarHBondContact O-N 3.27Å
5R62.6Low72.1Confident240 Ų240136.1 Ų136.191%0.90669%0.693SS**  trans-74.198.6172.5-65.6-174.3-171.5-179.32.7108A3 T7A3-R5 PolarHBondContact O-N 2.82Å; R5-T7 PolarHBondContact O-N 3.1Å
6K65.9Low73.2Confident180 Ų180133.4 Ų133.478%0.78368%0.678SS**  trans-59120.3170.5-64.7-174.6179.9-176.30108.9E4 K8E4-K6 PolarHBondContact O-N 3.27Å; K6-K8 PolarHBondContact O-N 3.23Å; K6-K8 VanDerWaalsContact O-N 3.12Å
7T76.4Confident74.1Confident142 Ų142136.1 Ų136.187%0.87168%0.684SS**  trans-69.8104.1176.550.60000109R5R5-T7 PolarHBondContact O-N 3.1Å
8K81.1Confident74.9Confident191 Ų191136.3 Ų136.383%0.8368%0.68SS**PPolyproline II helixtrans-92.4143.3175.1-65.8-174.1178.7-174.20110.3K6K6-K8 PolarHBondContact O-N 3.23Å; K6-K8 VanDerWaalsContact O-N 3.12Å
9L83.9Confident75.6Confident113 Ų113132.5 Ų132.559%0.59266%0.661SS**PPolyproline II helixtrans-68154.9172.2-63.2176.3000110.8L13L9-L13 HydrophobicContact CD2-CD2 4.16Å
10S88.3Confident76.1Confident72 Ų72130.6 Ų130.650%0.50365%0.65SS.*PPolyproline II helixtrans-70.614817871.90000111.5N12 L13 L14S10-N12 VanDerWaalsContact C-N 3.29Å; S10-N12 PolarHBondContact O-N 3.09Å; S10-L13 PolarHBondContact O-N 3.13Å; S10-L13 WeakPolarHBondContact OG-CB 3.43Å; S10-L13 PolarHBondContact OG-N 3.15Å; S10-L14 WeakPolarHBondContact O-CB 3.44Å; S10-L14 PolarHBondContact O-N 3.24Å
11K85.4Confident76.5Confident113 Ų113135.9 Ų135.949%0.49166%0.662SS.*Hα-helixtrans-59.8-38.6179.4-64.5-178.2173.2-169.30112.7L13 L14 R15 L31 E34K11-L13 VanDerWaalsContact C-N 3.35Å; K11-L13 PolarHBondContact O-N 3.43Å; K11-L14 PolarHBondContact O-N 2.74Å; K11-R15 WeakPolarHBondContact O-CB 3.45Å; K11-R15 PolarHBondContact O-N 2.86Å; K11-L31 HydrophobicContact CB-CD2 4.22Å; K11-L31 HydrophobicContact CG-CD2 4.42Å; K11-E34 IonicContact NZ-OE1 3.69Å; K11-E34 PolarHBondContact NZ-OE1 2.94Å; K11-E34 IonicContact NZ-OE2 3.42Å; K11-E34 PolarHBondContact NZ-OE2 3.43Å
12N87.1Confident78.7Confident124 Ų124127.9 Ų127.966%0.66364%0.642SS**Hα-helixtrans-63.5-38.6177.7-71.4-9.7000112.5S10S10-N12 VanDerWaalsContact C-N 3.29Å; S10-N12 PolarHBondContact O-N 3.09Å
13L87.3Confident80.5Confident68 Ų68124 Ų12436%0.35661%0.607SS.*Hα-helixtrans-69.4-42.8175-178.364.8000110.8L9 S10 K11 R15 M16 F18 M19L9-L13 HydrophobicContact CD2-CD2 4.16Å; S10-L13 PolarHBondContact O-N 3.13Å; S10-L13 WeakPolarHBondContact OG-CB 3.43Å; S10-L13 PolarHBondContact OG-N 3.15Å; K11-L13 VanDerWaalsContact C-N 3.35Å; K11-L13 PolarHBondContact O-N 3.43Å; L13-R15 PolarHBondContact O-N 3.5Å; L13-M16 VanDerWaalsContact O-CB 3.26Å; L13-M16 WeakPolarHBondContact O-CB 3.26Å; L13-M16 WeakPolarHBondContact O-CG 3.45Å; L13-M16 PolarHBondContact O-N 2.66Å; L13-M16 VanDerWaalsContact O-N 3.07Å; L13-F18 HydrophobicContact CD1-CZ 4.15Å; L13-M19 WeakPolarHBondContact O-CG 3.28Å
14L87.6Confident81.9Confident38 Ų38125.5 Ų125.520%0.19960%0.602CS.*Hα-helixtrans-64.4-27.5-179.2-157.863.9000112.3S10 K11 M16 L23 L31S10-L14 WeakPolarHBondContact O-CB 3.44Å; S10-L14 PolarHBondContact O-N 3.24Å; K11-L14 PolarHBondContact O-N 2.74Å; L14-M16 VanDerWaalsContact C-N 3.28Å; L14-M16 PolarHBondContact O-N 3.22Å; L14-L23 HydrophobicContact CB-CD1 4.48Å; L14-L23 HydrophobicContact CD1-CD1 3.55Å; L14-L23 HydrophobicContact CD1-CG 3.85Å; L14-L23 HydrophobicContact CD2-CD1 4.21Å; L14-L23 HydrophobicContact CD2-CG 4.38Å; L14-L23 HydrophobicContact CG-CD1 3.41Å; L14-L23 VanDerWaalsContact CG-CD1 3.41Å; L14-L23 HydrophobicContact CG-CG 3.99Å; L14-L23 VanDerWaalsContact O-CD1 3.26Å; L14-L23 WeakPolarHBondContact O-CD1 3.32Å; L14-L31 HydrophobicContact CB-CD1 4.3Å; L14-L31 HydrophobicContact CD2-CD1 4.11Å; L14-L31 HydrophobicContact CG-CD1 4.13Å
15R85.1Confident83.1Confident137 Ų137120.8 Ų120.852%0.51759%0.59SS.*THydrogen-bonded Turntrans-70.7-17.5174.7-162.8173.2-174-163.6-0.5113.8K11 L13 Q20 E35K11-R15 WeakPolarHBondContact O-CB 3.45Å; K11-R15 PolarHBondContact O-N 2.86Å; L13-R15 PolarHBondContact O-N 3.5Å; R15-Q20 PolarHBondContact O-NE2 3.46Å; R15-E35 IonicContact CZ-OE1 3.24Å; R15-E35 IonicContact NE-OE1 3.37Å; R15-E35 PolarHBondContact NE-OE1 3.35Å; R15-E35 IonicContact NH2-OE1 2.68Å; R15-E35 PolarHBondContact NH2-OE1 3.05Å
16M90.1Very high83.8Confident94 Ų94116.2 Ų116.246%0.46358%0.579SS.*SBendtrans-65.6139.5-177.3-65.2-68.3152.300112.1L13 L14 F18 M19 Q20L13-M16 VanDerWaalsContact O-CB 3.26Å; L13-M16 WeakPolarHBondContact O-CB 3.26Å; L13-M16 WeakPolarHBondContact O-CG 3.45Å; L13-M16 PolarHBondContact O-N 2.66Å; L13-M16 VanDerWaalsContact O-N 3.07Å; L14-M16 VanDerWaalsContact C-N 3.28Å; L14-M16 PolarHBondContact O-N 3.22Å; M16-F18 HydrophobicContact CB-CD1 3.73Å; M16-F18 HydrophobicContact CB-CE1 3.34Å; M16-F18 HydrophobicContact CB-CZ 3.86Å; M16-F18 HydrophobicContact CG-CE1 3.84Å; M16-F18 HydrophobicContact CG-CZ 4.24Å; M16-F18 PolarHBondContact O-N 3.39Å; M16-M19 WeakPolarHBondContact O-CB 3.48Å; M16-M19 PolarHBondContact O-N 3.21Å; M16-Q20 PolarHBondContact O-N 2.83Å
17K89.2Confident84.6Confident179 Ų179109.7 Ų109.778%0.77855%0.554SS**THydrogen-bonded Turntrans-52-35.3-175.2-68.2-173.2177.1-178.10114.2Q20K17-Q20 PolarHBondContact O-N 3.06Å
18F88.8Confident85Confident139 Ų139107.6 Ų107.661%0.6153%0.533SS*.THydrogen-bonded Turntrans-74.9-24.3-18065-91.3000113.3L13 M16L13-F18 HydrophobicContact CD1-CZ 4.15Å; M16-F18 HydrophobicContact CB-CD1 3.73Å; M16-F18 HydrophobicContact CB-CE1 3.34Å; M16-F18 HydrophobicContact CB-CZ 3.86Å; M16-F18 HydrophobicContact CG-CE1 3.84Å; M16-F18 HydrophobicContact CG-CZ 4.24Å; M16-F18 PolarHBondContact O-N 3.39Å
19M88.3Confident85.3Confident65 Ų65104.5 Ų104.532%0.3252%0.519SS..THydrogen-bonded Turntrans-80.7-26.7174.4-68.7-75.297.400111.8L13 M16 R21 G22 L23L13-M19 WeakPolarHBondContact O-CG 3.28Å; M16-M19 WeakPolarHBondContact O-CB 3.48Å; M16-M19 PolarHBondContact O-N 3.21Å; M19-R21 VanDerWaalsContact C-N 3.27Å; M19-R21 PolarHBondContact O-N 3.31Å; M19-R21 VanDerWaalsContact O-N 3.14Å; M19-G22 PolarHBondContact O-N 2.88Å; M19-L23 WeakPolarHBondContact O-CB 3.37Å
20Q84.8Confident85.4Confident93 Ų93104.4 Ų104.444%0.43552%0.516SS..THydrogen-bonded Turntrans-61.1-24.6-174.1-69178.7-3.600115.6R15 M16 K17R15-Q20 PolarHBondContact O-NE2 3.46Å; M16-Q20 PolarHBondContact O-N 2.83Å; K17-Q20 PolarHBondContact O-N 3.06Å
21R85.3Confident85.3Confident242 Ų242102.2 Ų102.291%0.91350%0.498SS*.THydrogen-bonded Turntrans-77.8-31.1-179.4-70-175.8178.4-178.5-0.9113.7M19M19-R21 VanDerWaalsContact C-N 3.27Å; M19-R21 PolarHBondContact O-N 3.31Å; M19-R21 VanDerWaalsContact O-N 3.14Å
22G80.8Confident85.4Confident76 Ų76100.4 Ų100.478%0.78449%0.491SS*.SBendtrans-103.917-17600000113.5M19M19-G22 PolarHBondContact O-N 2.88Å
23L83.8Confident85.5Confident25 Ų25100.2 Ų100.213%0.13149%0.487CS..SBendtrans-99.2132.6-169.4-158154.3000108.7L14 M19 S25 T27 K28 L31L14-L23 HydrophobicContact CB-CD1 4.48Å; L14-L23 HydrophobicContact CD1-CD1 3.55Å; L14-L23 HydrophobicContact CD1-CG 3.85Å; L14-L23 HydrophobicContact CD2-CD1 4.21Å; L14-L23 HydrophobicContact CD2-CG 4.38Å; L14-L23 HydrophobicContact CG-CD1 3.41Å; L14-L23 VanDerWaalsContact CG-CD1 3.41Å; L14-L23 HydrophobicContact CG-CG 3.99Å; L14-L23 VanDerWaalsContact O-CD1 3.26Å; L14-L23 WeakPolarHBondContact O-CD1 3.32Å; M19-L23 WeakPolarHBondContact O-CB 3.37Å; L23-S25 PolarHBondContact O-N 3.48Å; L23-T27 WeakPolarHBondContact CD2-OG1 3.42Å; L23-K28 HydrophobicContact CD2-CB 3.71Å; L23-L31 HydrophobicContact CD1-CD1 4.47Å
24D82.9Confident85.4Confident121 Ų121100.6 Ų100.665%0.64749%0.487SS*.  trans-60.3138.1-178.8-66.8-36000110.2E26 T27 K28D24-E26 PolarHBondContact O-N 2.84Å; D24-T27 PolarHBondContact N-OG1 3.08Å; D24-T27 PolarHBondContact O-N 2.91Å; D24-T27 PolarHBondContact O-OG1 3.32Å; D24-K28 PolarHBondContact O-N 3.41Å
25S80.6Confident85.3Confident85 Ų85102 Ų10259%0.59449%0.492SS*.Hα-helixtrans-54.3-32.9-176.866.20000113.1L23 K28 K29L23-S25 PolarHBondContact O-N 3.48Å; S25-K28 PolarHBondContact O-N 2.59Å; S25-K29 WeakPolarHBondContact O-CG 3.25Å; S25-K29 PolarHBondContact O-N 3.03Å; S25-K29 VanDerWaalsContact O-N 3.1Å
26E78Confident85.4Confident143 Ų143102 Ų10267%0.66850%0.496SS*.Hα-helixtrans-66.9-45.2175.5-60.4-172.8164.100112.5D24 K28 K29 Q30D24-E26 PolarHBondContact O-N 2.84Å; E26-K28 VanDerWaalsContact C-N 3.28Å; E26-K28 PolarHBondContact O-N 3.33Å; E26-K29 PolarHBondContact O-N 2.81Å; E26-Q30 WeakPolarHBondContact O-CG 3.43Å; E26-Q30 PolarHBondContact O-N 3.49Å; E26-Q30 VanDerWaalsContact O-N 3.13Å
27T82.3Confident85.3Confident43 Ų43103.3 Ų103.326%0.26450%0.499SS..Hα-helixtrans-68.9-29.3178.1520000112.3L23 D24 L31L23-T27 WeakPolarHBondContact CD2-OG1 3.42Å; D24-T27 PolarHBondContact N-OG1 3.08Å; D24-T27 PolarHBondContact O-N 2.91Å; D24-T27 PolarHBondContact O-OG1 3.32Å; T27-L31 WeakPolarHBondContact O-CG 3.31Å; T27-L31 PolarHBondContact O-N 3.04Å
28K85.1Confident85Confident98 Ų9899 Ų9943%0.42648%0.483SS..Hα-helixtrans-67.8-46.1173.7-167.3-176.6179-160.60111.3L23 D24 S25 E26 Q30 L31 E32L23-K28 HydrophobicContact CD2-CB 3.71Å; D24-K28 PolarHBondContact O-N 3.41Å; S25-K28 PolarHBondContact O-N 2.59Å; E26-K28 VanDerWaalsContact C-N 3.28Å; E26-K28 PolarHBondContact O-N 3.33Å; K28-Q30 VanDerWaalsContact C-N 3.32Å; K28-Q30 PolarHBondContact O-N 3.37Å; K28-L31 PolarHBondContact O-N 3.41Å; K28-E32 WeakPolarHBondContact CE-OE1 3.23Å; K28-E32 IonicContact NZ-OE1 2.66Å; K28-E32 WeakPolarHBondContact O-CG 3.45Å; K28-E32 PolarHBondContact O-N 3.34Å
29K87.1Confident84.9Confident127 Ų12797.4 Ų97.455%0.55248%0.48SS*.Hα-helixtrans-58.1-43.8176.4-74.2175-179.8-176.80111.9S25 E26 L31 E32 E33S25-K29 WeakPolarHBondContact O-CG 3.25Å; S25-K29 PolarHBondContact O-N 3.03Å; S25-K29 VanDerWaalsContact O-N 3.1Å; E26-K29 PolarHBondContact O-N 2.81Å; K29-L31 VanDerWaalsContact C-N 3.33Å; K29-L31 PolarHBondContact O-N 3.38Å; K29-E32 PolarHBondContact O-N 3.01Å; K29-E33 WeakPolarHBondContact O-CB 3.34Å; K29-E33 VanDerWaalsContact O-CG 3.31Å; K29-E33 WeakPolarHBondContact O-CG 3.46Å; K29-E33 PolarHBondContact O-N 3.06Å
30Q86.2Confident84.6Confident111 Ų11197.9 Ų97.952%0.51949%0.49SS..Hα-helixtrans-59.4-42.1176.8-71.1172.212.100112.5E26 K28 E34E26-Q30 WeakPolarHBondContact O-CG 3.43Å; E26-Q30 PolarHBondContact O-N 3.49Å; E26-Q30 VanDerWaalsContact O-N 3.13Å; K28-Q30 VanDerWaalsContact C-N 3.32Å; K28-Q30 PolarHBondContact O-N 3.37Å; Q30-E34 WeakPolarHBondContact O-CG 3.29Å; Q30-E34 PolarHBondContact O-N 3.41Å
31L85.8Confident84.6Confident26 Ų2699.7 Ų99.714%0.13650%0.498CS..Hα-helixtrans-67-41.9176.4-69.5175000112.1K11 L14 L23 T27 K28 K29 E34 E35K11-L31 HydrophobicContact CB-CD2 4.22Å; K11-L31 HydrophobicContact CG-CD2 4.42Å; L14-L31 HydrophobicContact CB-CD1 4.3Å; L14-L31 HydrophobicContact CD2-CD1 4.11Å; L14-L31 HydrophobicContact CG-CD1 4.13Å; L23-L31 HydrophobicContact CD1-CD1 4.47Å; T27-L31 WeakPolarHBondContact O-CG 3.31Å; T27-L31 PolarHBondContact O-N 3.04Å; K28-L31 PolarHBondContact O-N 3.41Å; K29-L31 VanDerWaalsContact C-N 3.33Å; K29-L31 PolarHBondContact O-N 3.38Å; L31-E34 PolarHBondContact O-N 3.19Å; L31-E35 WeakPolarHBondContact O-CG 3.32Å; L31-E35 PolarHBondContact O-N 3.13Å
32E87.4Confident84.7Confident74 Ų7495 Ų9535%0.34649%0.487SS..Hα-helixtrans-65.6-37.7176.8-71.5175.5-169.700112.2K28 K29 E35 K36K28-E32 WeakPolarHBondContact CE-OE1 3.23Å; K28-E32 IonicContact NZ-OE1 2.66Å; K28-E32 WeakPolarHBondContact O-CG 3.45Å; K28-E32 PolarHBondContact O-N 3.34Å; K29-E32 PolarHBondContact O-N 3.01Å; E32-E35 PolarHBondContact O-N 3.31Å; E32-K36 WeakPolarHBondContact O-CB 3.01Å; E32-K36 VanDerWaalsContact O-CG 3.28Å; E32-K36 WeakPolarHBondContact O-CG 3.41Å; E32-K36 PolarHBondContact O-N 3.5Å
33E89.1Confident84.9Confident120 Ų12095.9 Ų95.956%0.56147%0.471SS*.Hα-helixtrans-65.3-42.1174.3-76.1168.5-163.900111.6K29 E35 K36 K37K29-E33 WeakPolarHBondContact O-CB 3.34Å; K29-E33 VanDerWaalsContact O-CG 3.31Å; K29-E33 WeakPolarHBondContact O-CG 3.46Å; K29-E33 PolarHBondContact O-N 3.06Å; E33-E35 VanDerWaalsContact C-N 3.34Å; E33-E35 PolarHBondContact O-N 3.29Å; E33-K36 PolarHBondContact O-N 3.06Å; E33-K37 VanDerWaalsContact O-CB 3.28Å; E33-K37 WeakPolarHBondContact O-CB 3.47Å; E33-K37 PolarHBondContact O-N 3.04Å
34E85.8Confident85.1Confident76 Ų76104.5 Ų104.536%0.35550%0.501SS..Hα-helixtrans-62.4-40.4174.5-75.2178.6-173.700111.6K11 Q30 L31 K37 I38K11-E34 IonicContact NZ-OE1 3.69Å; K11-E34 PolarHBondContact NZ-OE1 2.94Å; K11-E34 IonicContact NZ-OE2 3.42Å; K11-E34 PolarHBondContact NZ-OE2 3.43Å; Q30-E34 WeakPolarHBondContact O-CG 3.29Å; Q30-E34 PolarHBondContact O-N 3.41Å; L31-E34 PolarHBondContact O-N 3.19Å; E34-K37 WeakPolarHBondContact O-CB 3.48Å; E34-K37 PolarHBondContact O-N 3.1Å; E34-I38 WeakPolarHBondContact O-CD1 3.48Å; E34-I38 VanDerWaalsContact O-CG1 3.29Å; E34-I38 WeakPolarHBondContact O-CG1 3.28Å; E34-I38 PolarHBondContact O-N 3.12Å
35E84.8Confident84.9Confident67 Ų67107.5 Ų107.531%0.31351%0.505SS..Hα-helixtrans-64.1-46.2174-72.5-179.3164.100112R15 L31 E32 E33 K37 I38 I39R15-E35 IonicContact CZ-OE1 3.24Å; R15-E35 IonicContact NE-OE1 3.37Å; R15-E35 PolarHBondContact NE-OE1 3.35Å; R15-E35 IonicContact NH2-OE1 2.68Å; R15-E35 PolarHBondContact NH2-OE1 3.05Å; L31-E35 WeakPolarHBondContact O-CG 3.32Å; L31-E35 PolarHBondContact O-N 3.13Å; E32-E35 PolarHBondContact O-N 3.31Å; E33-E35 VanDerWaalsContact C-N 3.34Å; E33-E35 PolarHBondContact O-N 3.29Å; E35-K37 VanDerWaalsContact C-N 3.26Å; E35-K37 PolarHBondContact O-N 3.42Å; E35-I38 PolarHBondContact O-N 2.84Å; E35-I39 WeakPolarHBondContact O-CG1 2.94Å; E35-I39 PolarHBondContact O-N 2.99Å
36K87.3Confident85.1Confident138 Ų138109.2 Ų109.260%0.651%0.507SS*.Hα-helixtrans-61.3-36.7175.5-74.1173-177.1177.90111.8E32 E33 I39 S40E32-K36 WeakPolarHBondContact O-CB 3.01Å; E32-K36 VanDerWaalsContact O-CG 3.28Å; E32-K36 WeakPolarHBondContact O-CG 3.41Å; E32-K36 PolarHBondContact O-N 3.5Å; E33-K36 PolarHBondContact O-N 3.06Å; K36-I39 PolarHBondContact O-N 3.49Å; K36-S40 VanDerWaalsContact O-CB 3.32Å; K36-S40 WeakPolarHBondContact O-CB 3.4Å; K36-S40 PolarHBondContact O-N 3.2Å; K36-S40 PolarHBondContact O-OG 2.7Å
37K87.9Confident85.1Confident121 Ų121107.6 Ų107.653%0.52650%0.503SS..Hα-helixtrans-63.5-47.3177.4-166.8173.2-174.4-78.60111.1E33 E34 E35 I39 S40 E41E33-K37 VanDerWaalsContact O-CB 3.28Å; E33-K37 WeakPolarHBondContact O-CB 3.47Å; E33-K37 PolarHBondContact O-N 3.04Å; E34-K37 WeakPolarHBondContact O-CB 3.48Å; E34-K37 PolarHBondContact O-N 3.1Å; E35-K37 VanDerWaalsContact C-N 3.26Å; E35-K37 PolarHBondContact O-N 3.42Å; K37-I39 PolarHBondContact O-N 3.23Å; K37-S40 WeakPolarHBondContact CA-OG 3.34Å; K37-S40 PolarHBondContact O-N 3.27Å; K37-S40 PolarHBondContact O-OG 2.76Å; K37-E41 WeakPolarHBondContact CG-OE1 3.44Å; K37-E41 IonicContact NZ-OE1 3.08Å; K37-E41 PolarHBondContact NZ-OE1 2.81Å; K37-E41 WeakPolarHBondContact O-CB 3.14Å; K37-E41 VanDerWaalsContact O-CG 3.25Å; K37-E41 WeakPolarHBondContact O-CG 3.26Å; K37-E41 PolarHBondContact O-N 3.44Å
38I84.1Confident85Confident88 Ų88109.6 Ų109.645%0.45151%0.511SS..Hα-helixtrans-58.8-48.2175.8-65160.9000110.4E34 E35 S40 E41 E42E34-I38 WeakPolarHBondContact O-CD1 3.48Å; E34-I38 VanDerWaalsContact O-CG1 3.29Å; E34-I38 WeakPolarHBondContact O-CG1 3.28Å; E34-I38 PolarHBondContact O-N 3.12Å; E35-I38 PolarHBondContact O-N 2.84Å; I38-S40 VanDerWaalsContact C-N 3.31Å; I38-S40 PolarHBondContact O-N 2.74Å; I38-E41 PolarHBondContact O-N 3.24Å; I38-E42 WeakPolarHBondContact O-CG 3.4Å; I38-E42 PolarHBondContact O-N 3.39Å
39I84.8Confident84.7Confident107 Ų107109.6 Ų109.655%0.54952%0.522SS..Hα-helixtrans-61.3-42.3178.4-64163.9000110.7E35 K36 K37 E41 E42 H43E35-I39 WeakPolarHBondContact O-CG1 2.94Å; E35-I39 PolarHBondContact O-N 2.99Å; K36-I39 PolarHBondContact O-N 3.49Å; K37-I39 PolarHBondContact O-N 3.23Å; I39-E41 VanDerWaalsContact C-N 3.34Å; I39-E41 PolarHBondContact O-N 3.3Å; I39-E42 PolarHBondContact O-N 2.99Å; I39-H43 VanDerWaalsContact O-CB 3.23Å; I39-H43 WeakPolarHBondContact O-CB 3.43Å; I39-H43 PolarHBondContact O-N 3.29Å
40S82.9Confident84.1Confident75 Ų75111.1 Ų111.152%0.52453%0.531SS..Hα-helixtrans-68.7-31.3178.969.60000113.4K36 K37 I38 E42K36-S40 VanDerWaalsContact O-CB 3.32Å; K36-S40 WeakPolarHBondContact O-CB 3.4Å; K36-S40 PolarHBondContact O-N 3.2Å; K36-S40 PolarHBondContact O-OG 2.7Å; K37-S40 WeakPolarHBondContact CA-OG 3.34Å; K37-S40 PolarHBondContact O-N 3.27Å; K37-S40 PolarHBondContact O-OG 2.76Å; I38-S40 VanDerWaalsContact C-N 3.31Å; I38-S40 PolarHBondContact O-N 2.74Å; S40-E42 VanDerWaalsContact C-N 3.34Å
41E85.4Confident83.3Confident130 Ų130111.4 Ų111.461%0.60754%0.535SS*.Hα-helixtrans-71.3-32.4175.7-75.2171.6-174.200111.1K37 I38 I39K37-E41 WeakPolarHBondContact CG-OE1 3.44Å; K37-E41 IonicContact NZ-OE1 3.08Å; K37-E41 PolarHBondContact NZ-OE1 2.81Å; K37-E41 WeakPolarHBondContact O-CB 3.14Å; K37-E41 VanDerWaalsContact O-CG 3.25Å; K37-E41 WeakPolarHBondContact O-CG 3.26Å; K37-E41 PolarHBondContact O-N 3.44Å; I38-E41 PolarHBondContact O-N 3.24Å; I39-E41 VanDerWaalsContact C-N 3.34Å; I39-E41 PolarHBondContact O-N 3.3Å
42E87.2Confident82.3Confident143 Ų143117.4 Ų117.467%0.66856%0.56SS**Hα-helixtrans-83.6-23.2175.3-68176178.400113.2I38 I39 S40 W44I38-E42 WeakPolarHBondContact O-CG 3.4Å; I38-E42 PolarHBondContact O-N 3.39Å; I39-E42 PolarHBondContact O-N 2.99Å; S40-E42 VanDerWaalsContact C-N 3.34Å; E42-W44 PolarHBondContact O-N 3.14Å; E42-W44 VanDerWaalsContact O-N 3.08Å
43H85.5Confident81.3Confident96 Ų96122.2 Ų122.244%0.44458%0.583SS.*  trans-77.497.2-178.6-164.389.7000110.5I39 Y45I39-H43 VanDerWaalsContact O-CB 3.23Å; I39-H43 WeakPolarHBondContact O-CB 3.43Å; I39-H43 PolarHBondContact O-N 3.29Å; H43-Y45 AromaticContact CD2-CD2 3.99Å; H43-Y45 AromaticContact CD2-CE1 3.45Å; H43-Y45 VanDerWaalsContact CD2-CE1 3.45Å; H43-Y45 WeakPolarHBondContact CD2-CE1 3.41Å; H43-Y45 AromaticContact CD2-CE2 3.45Å; H43-Y45 VanDerWaalsContact CD2-CE2 3.45Å; H43-Y45 WeakPolarHBondContact CD2-CE2 3.09Å; H43-Y45 AromaticContact CD2-CZ 3.13Å; H43-Y45 PolarHBondContact CD2-OH 3.45Å; H43-Y45 VanDerWaalsContact CD2-OH 3.31Å; H43-Y45 AromaticContact NE2-CD1 3.88Å; H43-Y45 AromaticContact NE2-CE1 3.26Å; H43-Y45 VanDerWaalsContact NE2-CE1 3.26Å; H43-Y45 WeakPolarHBondContact NE2-CE1 3.49Å; H43-Y45 AromaticContact NE2-CZ 3.44Å
44W86.8Confident80.6Confident205 Ų205124.2 Ų124.278%0.77759%0.589SS**  trans-83.9138.6173.661.4-85.3000110.4E42 L46E42-W44 PolarHBondContact O-N 3.14Å; E42-W44 VanDerWaalsContact O-N 3.08Å; W44-L46 HydrophobicContact CZ3-CB 4.12Å
45Y79.5Confident80.1Confident184 Ų184128.4 Ų128.472%0.72261%0.609SS**  trans-106.8141.9173-64.9-84000109.9H43H43-Y45 AromaticContact CD2-CD2 3.99Å; H43-Y45 AromaticContact CD2-CE1 3.45Å; H43-Y45 VanDerWaalsContact CD2-CE1 3.45Å; H43-Y45 WeakPolarHBondContact CD2-CE1 3.41Å; H43-Y45 AromaticContact CD2-CE2 3.45Å; H43-Y45 VanDerWaalsContact CD2-CE2 3.45Å; H43-Y45 WeakPolarHBondContact CD2-CE2 3.09Å; H43-Y45 AromaticContact CD2-CZ 3.13Å; H43-Y45 PolarHBondContact CD2-OH 3.45Å; H43-Y45 VanDerWaalsContact CD2-OH 3.31Å; H43-Y45 AromaticContact NE2-CD1 3.88Å; H43-Y45 AromaticContact NE2-CE1 3.26Å; H43-Y45 VanDerWaalsContact NE2-CE1 3.26Å; H43-Y45 WeakPolarHBondContact NE2-CE1 3.49Å; H43-Y45 AromaticContact NE2-CZ 3.44Å
46L83.4Confident79.9Confident121 Ų121128.8 Ų128.863%0.63462%0.619SS**  trans-99.6105.3167.7-174.364.9000108.8W44 L48W44-L46 HydrophobicContact CZ3-CB 4.12Å; L46-L48 HydrophobicContact CD2-CD1 4.12Å; L46-L48 HydrophobicContact CD2-CD2 4.13Å; L46-L48 HydrophobicContact CD2-CG 4.09Å; L46-L48 HydrophobicContact CG-CD2 4.13Å; L46-L48 HydrophobicContact CG-CG 4.03Å; L46-L48 PolarHBondContact O-N 3.01Å; L46-L48 VanDerWaalsContact O-N 3.15Å
47D78.5Confident79.7Confident110 Ų110131.8 Ų131.859%0.58863%0.632SS**  trans-74.6104.1174.3-81.5-50.3000109.8P49 K52D47-P49 WeakPolarHBondContact O-CD 3.21Å; D47-K52 IonicContact OD1-NZ 2.82Å; D47-K52 PolarHBondContact OD1-NZ 3.48Å
48L80.9Confident79.8Confident84 Ų84132.2 Ų132.244%0.4464%0.639SS.*  trans-104.4100.1169.4-64.4176.6000108.7L46 E50 L51 K52L46-L48 HydrophobicContact CD2-CD1 4.12Å; L46-L48 HydrophobicContact CD2-CD2 4.13Å; L46-L48 HydrophobicContact CD2-CG 4.09Å; L46-L48 HydrophobicContact CG-CD2 4.13Å; L46-L48 HydrophobicContact CG-CG 4.03Å; L46-L48 PolarHBondContact O-N 3.01Å; L46-L48 VanDerWaalsContact O-N 3.15Å; L48-E50 PolarHBondContact O-N 3.36Å; L48-E50 VanDerWaalsContact O-N 3.13Å; L48-L51 HydrophobicContact CB-CB 4.34Å; L48-L51 HydrophobicContact CB-CD1 4.08Å; L48-L51 HydrophobicContact CD1-CD1 3.77Å; L48-L51 PolarHBondContact O-N 2.92Å; L48-L51 VanDerWaalsContact O-N 3.13Å; L48-K52 PolarHBondContact O-N 3.21Å; L48-K52 VanDerWaalsContact O-N 3.09Å
49P78.3Confident79.9Confident99 Ų99133.4 Ų133.464%0.64365%0.646SS**Hα-helixtrans-56.1-32.5-175.4-24.833.3000113.6D47 L51D47-P49 WeakPolarHBondContact O-CD 3.21Å; P49-L51 VanDerWaalsContact C-N 3.33Å; P49-L51 PolarHBondContact O-N 2.79Å
50E74.8Confident80Confident159 Ų159137.1 Ų137.174%0.74366%0.661SS**Hα-helixtrans-73.2-20.5-177-62.2179.1176.100114.6L48L48-E50 PolarHBondContact O-N 3.36Å; L48-E50 VanDerWaalsContact O-N 3.13Å
51L68.9Low80.2Confident116 Ų116139 Ų13961%0.60766%0.661SS**Hα-helixtrans-107-22.4-179.5-80.5132.2000112.5L48 P49 E53 K54L48-L51 HydrophobicContact CB-CB 4.34Å; L48-L51 HydrophobicContact CB-CD1 4.08Å; L48-L51 HydrophobicContact CD1-CD1 3.77Å; L48-L51 PolarHBondContact O-N 2.92Å; L48-L51 VanDerWaalsContact O-N 3.13Å; P49-L51 VanDerWaalsContact C-N 3.33Å; P49-L51 PolarHBondContact O-N 2.79Å; L51-E53 PolarHBondContact O-N 3.37Å; L51-K54 PolarHBondContact O-N 3.11Å
52K65.4Low80.4Confident152 Ų152142.2 Ų142.266%0.66168%0.676SS**Hα-helixtrans-63.5-28.4-178-164.9169.2-171.7161.80113.3D47 L48D47-K52 IonicContact OD1-NZ 2.82Å; D47-K52 PolarHBondContact OD1-NZ 3.48Å; L48-K52 PolarHBondContact O-N 3.21Å; L48-K52 VanDerWaalsContact O-N 3.09Å
53E66.3Low80.4Confident176 Ų176137.5 Ų137.582%0.82266%0.659SS**THydrogen-bonded Turntrans-94.9-7-177.9-62.5-179.3177.200113.2L51L51-E53 PolarHBondContact O-N 3.37Å
54K74.4Confident80.5Confident161 Ų161139.6 Ų139.670%0.767%0.667SS**  trans-107.181.6-175.2-65.2-178.6-175.1169.90109.7L51L51-K54 PolarHBondContact O-N 3.11Å
55E75.4Confident80.4Confident164 Ų164135.8 Ų135.877%0.76666%0.661SS**  trans-62149.3162-166.355.7-121.600109.4F57E55-F57 PolarHBondContact O-N 3.41Å; E55-F57 VanDerWaalsContact O-N 3.1Å
56S80.4Confident80.7Confident76 Ų76133.1 Ų133.153%0.53166%0.659SS.*  trans-63.3114.5-179.4-50.80000109.4I58S56-I58 VanDerWaalsContact C-N 3.28Å; S56-I58 PolarHBondContact O-N 2.93Å
57F83.6Confident80.7Confident200 Ų200132.6 Ų132.688%0.87766%0.664SS**SBendtrans-67.5-31.3-180-175.9-107.6000112.4E55E55-F57 PolarHBondContact O-N 3.41Å; E55-F57 VanDerWaalsContact O-N 3.1Å
58I88.4Confident80.8Confident131 Ų131132.2 Ų132.267%0.67266%0.659SS**  trans-134131.5177.6-60163.1000107.4S56S56-I58 VanDerWaalsContact C-N 3.28Å; S56-I58 PolarHBondContact O-N 2.93Å
59I87.4Confident80.9Confident113 Ų113134.5 Ų134.558%0.57967%0.671SS**  trans-115.4118.4176-57.4172.9000106.8E61I59-E61 HydrophobicContact CG2-CG 3.93Å; I59-E61 PolarHBondContact O-N 3.29Å
60E87.3Confident81.2Confident185 Ų185134.7 Ų134.786%0.86467%0.666SS**  trans-84.5106174.8-67.4-179.2-178.900108.9
61E86.5Confident81.8Confident115 Ų115131 Ų13154%0.53765%0.651SS.*  trans-103.3135.6173.2-65.9-157.4-172.300111.2I59 S63 L66I59-E61 HydrophobicContact CG2-CG 3.93Å; I59-E61 PolarHBondContact O-N 3.29Å; E61-S63 VanDerWaalsContact C-N 3.25Å; E61-S63 PolarHBondContact O-N 3.25Å; E61-L66 WeakPolarHBondContact OE2-CD1 3.29Å
62Q89.3Confident82.8Confident196 Ų196129.2 Ų129.292%0.91664%0.637SS**  trans-87.24.8176.5-62.4-177.3-3.500112.8
63S88.2Confident83.9Confident45 Ų45125.3 Ų125.332%0.31564%0.64SS.*  trans-94.6128.5-176.2-175.40000110.7E61 L65E61-S63 VanDerWaalsContact C-N 3.25Å; E61-S63 PolarHBondContact O-N 3.25Å; S63-L65 VanDerWaalsContact C-N 3.26Å; S63-L65 WeakPolarHBondContact OG-CB 3.44Å; S63-L65 PolarHBondContact OG-N 3.44Å
64F87.1Confident85.1Confident139 Ų139124.2 Ų124.261%0.6163%0.628SS**G310 helixtrans-78.3-11.7171.6-63.5-79.1000112.8L66 C67 E68F64-L66 PolarHBondContact O-N 3.01Å; F64-L66 VanDerWaalsContact O-N 3.14Å; F64-C67 PolarHBondContact O-N 3.19Å; F64-E68 PolarHBondContact O-N 3.41Å
65L85.4Confident85.8Confident126 Ų126120.7 Ų120.766%0.6662%0.615SS**G310 helixtrans-60.4-26.7-177.1-65.5170.4000113.9S63 L70S63-L65 VanDerWaalsContact C-N 3.26Å; S63-L65 WeakPolarHBondContact OG-CB 3.44Å; S63-L65 PolarHBondContact OG-N 3.44Å; L65-L70 HydrophobicContact CD2-CD1 4.04Å
66L84.6Confident86.5Confident128 Ų128113.3 Ų113.367%0.6758%0.582SS**G310 helixtrans-84.1-24.4177.4-64.4-176.7000112.7E61 F64E61-L66 WeakPolarHBondContact OE2-CD1 3.29Å; F64-L66 PolarHBondContact O-N 3.01Å; F64-L66 VanDerWaalsContact O-N 3.14Å
67C83.2Confident87Confident110 Ų110116 Ų11674%0.74358%0.584SS**THydrogen-bonded Turntrans-98.8-29.5-174.1-62.30000112.4F64F64-C67 PolarHBondContact O-N 3.19Å
68E81.5Confident87.3Confident101 Ų101118.7 Ų118.747%0.47259%0.589SS.*SBendtrans-119.1130.8-178.5-66.8-175.1174.500110F64 L70F64-E68 PolarHBondContact O-N 3.41Å; E68-L70 HydrophobicContact CB-CD2 4.23Å; E68-L70 HydrophobicContact CB-CG 3.93Å; E68-L70 PolarHBondContact O-N 3.37Å
69D81.7Confident87.4Confident133 Ų133114.4 Ų114.471%0.71158%0.577SS**  trans-75.967.1176.2-65.7-48.2000111.4L71D69-L71 PolarHBondContact O-N 3.35Å
70L86Confident87.5Confident102 Ų102118 Ų11853%0.53459%0.589SS.*  trans-70.2128.4-174.2-68.6173.4000112.1L65 E68L65-L70 HydrophobicContact CD2-CD1 4.04Å; E68-L70 HydrophobicContact CB-CD2 4.23Å; E68-L70 HydrophobicContact CB-CG 3.93Å; E68-L70 PolarHBondContact O-N 3.37Å
71L87.9Confident87.8Confident81 Ų81111.7 Ų111.742%0.42456%0.561SS.*  trans-70.9157.3172.7-64.3177.1000112.1D69 G73 N92 H95D69-L71 PolarHBondContact O-N 3.35Å; L71-G73 PolarHBondContact O-N 2.68Å; L71-G73 VanDerWaalsContact O-N 3.14Å; L71-N92 HydrophobicContact CD2-CB 4.13Å; L71-H95 HydrophobicContact CD2-CB 3.85Å
72Y89.8Confident88.1Confident79 Ų79110.5 Ų110.531%0.3156%0.563SS.*  trans-61.5115.1172.4-174.1-110.8000111.4R74 L87 M91 N92Y72-R74 HydrophobicContact CD1-CB 4.31Å; Y72-R74 WeakPolarHBondContact CD1-O 3.1Å; Y72-R74 HydrophobicContact CE1-CB 3.6Å; Y72-R74 WeakPolarHBondContact CE1-O 3.43Å; Y72-R74 PolarHBondContact O-N 3.33Å; Y72-L87 HydrophobicContact CE1-CD2 3.68Å; Y72-L87 HydrophobicContact CE1-CG 3.77Å; Y72-L87 VanDerWaalsContact OH-CD2 3.31Å; Y72-L87 WeakPolarHBondContact OH-CD2 3.5Å; Y72-M91 HydrophobicContact CD1-CB 4.42Å; Y72-M91 HydrophobicContact CD2-CB 4.25Å; Y72-M91 HydrophobicContact CD2-CG 4.24Å; Y72-M91 HydrophobicContact CG-CB 3.91Å; Y72-M91 HydrophobicContact CG-CG 4.23Å; Y72-N92 WeakPolarHBondContact CB-OD1 3.43Å; Y72-N92 PolarHBondContact N-OD1 2.98Å
73G88.6Confident88.2Confident70 Ų70108.8 Ų108.872%0.72256%0.555SS**SBendtrans-71.9-18-168.600000116.3L71 M75L71-G73 PolarHBondContact O-N 2.68Å; L71-G73 VanDerWaalsContact O-N 3.14Å; G73-M75 WeakPolarHBondContact O-CG 3.43Å; G73-M75 PolarHBondContact O-N 2.99Å
74R90.7Very high88.3Confident153 Ų153107 Ų10758%0.57754%0.543SS*.  trans-87.8102.2177.9-173.3179.1169165.3-5.9109.7Y72 V84Y72-R74 HydrophobicContact CD1-CB 4.31Å; Y72-R74 WeakPolarHBondContact CD1-O 3.1Å; Y72-R74 HydrophobicContact CE1-CB 3.6Å; Y72-R74 WeakPolarHBondContact CE1-O 3.43Å; Y72-R74 PolarHBondContact O-N 3.33Å; R74-V84 HydrophobicContact CG-CG1 3.89Å
75M89.1Confident88.5Confident88 Ų88102.6 Ų102.643%0.43352%0.524SS..  trans-115.4146.4-174-36.6-175.993.200110.7G73 F77 M88G73-M75 WeakPolarHBondContact O-CG 3.43Å; G73-M75 PolarHBondContact O-N 2.99Å; M75-F77 HydrophobicContact CB-CE2 3.97Å; M75-F77 HydrophobicContact CB-CZ 3.87Å; M75-F77 HydrophobicContact CE-CZ 4.36Å; M75-F77 HydrophobicContact SD-CZ 4.08Å; M75-M88 HydrophobicContact CB-SD 3.96Å; M75-M88 HydrophobicContact CE-SD 4.08Å; M75-M88 HydrophobicContact CG-SD 4.44Å
76S89.9Confident88.7Confident9 Ų9104 Ų1046%0.06353%0.525CS..  trans-134.6151.4167.6-171.10000107.9N81 E85S76-N81 PolarHBondContact OG-N 3.39Å; S76-E85 WeakPolarHBondContact O-CG 3.48Å
77F90.3Very high89Confident133 Ų133100.4 Ų100.458%0.58351%0.506SS*.  trans-135.1150.9-177-56.2-75.8000109.9M75 G79 F80 E85M75-F77 HydrophobicContact CB-CE2 3.97Å; M75-F77 HydrophobicContact CB-CZ 3.87Å; M75-F77 HydrophobicContact CE-CZ 4.36Å; M75-F77 HydrophobicContact SD-CZ 4.08Å; F77-G79 PolarHBondContact O-N 2.7Å; F77-F80 PolarHBondContact O-N 3.3Å; F77-E85 VanDerWaalsContact CA-OE1 3.3Å; F77-E85 WeakPolarHBondContact CA-OE1 3.44Å; F77-E85 PolarHBondContact N-OE1 3.05Å
78R91.6Very high89.3Confident255 Ų25596.4 Ų96.496%0.96248%0.477SS*.THydrogen-bonded Turntrans57.932.8172-54-177.9177.9-169.4-1113.6E85R78-E85 PolarHBondContact N-OE1 3.38Å; R78-E85 VanDerWaalsContact N-OE1 3.09Å
79G89.9Confident89.6Confident42 Ų4296 Ų9643%0.43348%0.477SS..THydrogen-bonded Turntrans77.216.5174.500000114.9F77 N81 E85F77-G79 PolarHBondContact O-N 2.7Å; G79-N81 VanDerWaalsContact C-N 3.28Å; G79-N81 PolarHBondContact O-N 2.7Å; G79-E85 WeakPolarHBondContact CA-OE1 3.33Å; G79-E85 PolarHBondContact N-OE1 3.41Å
80F89.9Confident89.9Confident189 Ų18996.3 Ų96.383%0.82947%0.474SS*.SBendtrans-64.5-34.2178.7-169.8-95.6000112.2F77F77-F80 PolarHBondContact O-N 3.3Å
81N92.6Very high90Very high51 Ų5196.5 Ų96.527%0.27347%0.473SS..  trans-147.898.4169.3-173.1-28.9000110.5S76 G79 E83 V84 E85S76-N81 PolarHBondContact OG-N 3.39Å; G79-N81 VanDerWaalsContact C-N 3.28Å; G79-N81 PolarHBondContact O-N 2.7Å; N81-E83 VanDerWaalsContact C-N 3.26Å; N81-E83 PolarHBondContact O-N 2.81Å; N81-E83 WeakPolarHBondContact OD1-CB 3.46Å; N81-E83 PolarHBondContact OD1-N 3.14Å; N81-E83 VanDerWaalsContact OD1-N 3.11Å; N81-V84 HydrophobicContact CB-CB 4.08Å; N81-V84 HydrophobicContact CB-CG2 4.08Å; N81-V84 WeakPolarHBondContact ND2-CG2 3.41Å; N81-V84 PolarHBondContact O-N 3.34Å; N81-V84 VanDerWaalsContact O-N 3.12Å; N81-V84 PolarHBondContact OD1-N 3.25Å; N81-E85 PolarHBondContact O-N 3.27Å
82P92.3Very high89.9Confident91 Ų9193.3 Ų93.359%0.59146%0.457SS*.Hα-helixtrans-59.8-30.5-178.2-2635000114.6K86P82-K86 WeakPolarHBondContact O-CB 3.26Å; P82-K86 PolarHBondContact O-N 3.32Å
83E91.2Very high89.5Confident160 Ų16092 Ų9275%0.74846%0.463SS*.Hα-helixtrans-68.6-39.4177.7-62.4-174.916200111.2N81 K86 L87N81-E83 VanDerWaalsContact C-N 3.26Å; N81-E83 PolarHBondContact O-N 2.81Å; N81-E83 WeakPolarHBondContact OD1-CB 3.46Å; N81-E83 PolarHBondContact OD1-N 3.14Å; N81-E83 VanDerWaalsContact OD1-N 3.11Å; E83-K86 PolarHBondContact O-N 3.41Å; E83-L87 WeakPolarHBondContact O-CB 3.49Å; E83-L87 PolarHBondContact O-N 3.2Å
84V92.1Very high88.6Confident8 Ų897.4 Ų97.45%0.04847%0.466CS..Hα-helixtrans-71.2-38.7176.8174.90000111R74 N81 K86 L87 M88R74-V84 HydrophobicContact CG-CG1 3.89Å; N81-V84 HydrophobicContact CB-CB 4.08Å; N81-V84 HydrophobicContact CB-CG2 4.08Å; N81-V84 WeakPolarHBondContact ND2-CG2 3.41Å; N81-V84 PolarHBondContact O-N 3.34Å; N81-V84 VanDerWaalsContact O-N 3.12Å; N81-V84 PolarHBondContact OD1-N 3.25Å; V84-K86 VanDerWaalsContact C-N 3.32Å; V84-K86 PolarHBondContact O-N 3.48Å; V84-L87 PolarHBondContact O-N 3.29Å; V84-M88 VanDerWaalsContact O-CB 3.32Å; V84-M88 WeakPolarHBondContact O-CB 3.29Å; V84-M88 PolarHBondContact O-N 3.26Å
85E89.8Confident87.4Confident46 Ų4692.6 Ų92.622%0.21545%0.45CS..Hα-helixtrans-61.2-42.7174-68-173.9169.300111.5S76 F77 R78 G79 N81 M88 L89S76-E85 WeakPolarHBondContact O-CG 3.48Å; F77-E85 VanDerWaalsContact CA-OE1 3.3Å; F77-E85 WeakPolarHBondContact CA-OE1 3.44Å; F77-E85 PolarHBondContact N-OE1 3.05Å; R78-E85 PolarHBondContact N-OE1 3.38Å; R78-E85 VanDerWaalsContact N-OE1 3.09Å; G79-E85 WeakPolarHBondContact CA-OE1 3.33Å; G79-E85 PolarHBondContact N-OE1 3.41Å; N81-E85 PolarHBondContact O-N 3.27Å; E85-M88 PolarHBondContact O-N 3.24Å; E85-L89 VanDerWaalsContact O-CG 3.32Å; E85-L89 WeakPolarHBondContact O-CG 3.48Å; E85-L89 PolarHBondContact O-N 3.46Å
86K90.9Very high86.2Confident156 Ų15693.4 Ų93.468%0.67845%0.451SS*.Hα-helixtrans-62.8-43.4175.2-169.1177.6-167.2177.20112P82 E83 V84 L89 Q90P82-K86 WeakPolarHBondContact O-CB 3.26Å; P82-K86 PolarHBondContact O-N 3.32Å; E83-K86 PolarHBondContact O-N 3.41Å; V84-K86 VanDerWaalsContact C-N 3.32Å; V84-K86 PolarHBondContact O-N 3.48Å; K86-L89 PolarHBondContact O-N 3.48Å; K86-Q90 PolarHBondContact O-N 2.83Å
87L89.8Confident84.7Confident51 Ų5196 Ų9627%0.26747%0.473SS..Hα-helixtrans-63.4-44.2177.3-176.962.7000111.6Y72 E83 V84 L89 Q90 M91Y72-L87 HydrophobicContact CE1-CD2 3.68Å; Y72-L87 HydrophobicContact CE1-CG 3.77Å; Y72-L87 VanDerWaalsContact OH-CD2 3.31Å; Y72-L87 WeakPolarHBondContact OH-CD2 3.5Å; E83-L87 WeakPolarHBondContact O-CB 3.49Å; E83-L87 PolarHBondContact O-N 3.2Å; V84-L87 PolarHBondContact O-N 3.29Å; L87-L89 VanDerWaalsContact C-N 3.33Å; L87-L89 PolarHBondContact O-N 3.43Å; L87-Q90 PolarHBondContact O-N 2.98Å; L87-M91 HydrophobicContact CD1-CE 3.75Å; L87-M91 HydrophobicContact CD1-CG 4Å; L87-M91 HydrophobicContact CG-CG 4.4Å; L87-M91 WeakPolarHBondContact O-CB 3.35Å; L87-M91 WeakPolarHBondContact O-CG 3.14Å; L87-M91 PolarHBondContact O-N 2.84Å
88M89.8Confident83.2Confident27 Ų2795.5 Ų95.513%0.13347%0.473CS..Hα-helixtrans-58.1-45.7175.3178.9-173.47100111.1M75 V84 E85 N92M75-M88 HydrophobicContact CB-SD 3.96Å; M75-M88 HydrophobicContact CE-SD 4.08Å; M75-M88 HydrophobicContact CG-SD 4.44Å; V84-M88 VanDerWaalsContact O-CB 3.32Å; V84-M88 WeakPolarHBondContact O-CB 3.29Å; V84-M88 PolarHBondContact O-N 3.26Å; E85-M88 PolarHBondContact O-N 3.24Å; M88-N92 VanDerWaalsContact O-CB 3.25Å; M88-N92 WeakPolarHBondContact O-CB 3.36Å; M88-N92 PolarHBondContact O-N 2.61Å
89L87.3Confident81.6Confident92 Ų9287.6 Ų87.648%0.48245%0.447SS..Hα-helixtrans-64-41.1177.4-71.2171.8000112.6E85 K86 L87 A93E85-L89 VanDerWaalsContact O-CG 3.32Å; E85-L89 WeakPolarHBondContact O-CG 3.48Å; E85-L89 PolarHBondContact O-N 3.46Å; K86-L89 PolarHBondContact O-N 3.48Å; L87-L89 VanDerWaalsContact C-N 3.33Å; L87-L89 PolarHBondContact O-N 3.43Å; L89-A93 WeakPolarHBondContact O-CA 2.93Å; L89-A93 WeakPolarHBondContact O-CB 3.08Å; L89-A93 PolarHBondContact O-N 3.21Å; L89-A93 VanDerWaalsContact O-N 3.14Å
90Q88.4Confident79.9Confident140 Ų14089.9 Ų89.965%0.65445%0.452SS*.Hα-helixtrans-67.9-44.6179.9-176.7178.4-0.300112.2K86 L87 A93K86-Q90 PolarHBondContact O-N 2.83Å; L87-Q90 PolarHBondContact O-N 2.98Å; Q90-A93 WeakPolarHBondContact O-CB 3.22Å
91M88Confident78.3Confident105 Ų10587.9 Ų87.952%0.51745%0.445SS..Hα-helixtrans-74.9-35.4-176.2-65.1-60.3-176.300112.1Y72 L87Y72-M91 HydrophobicContact CD1-CB 4.42Å; Y72-M91 HydrophobicContact CD2-CB 4.25Å; Y72-M91 HydrophobicContact CD2-CG 4.24Å; Y72-M91 HydrophobicContact CG-CB 3.91Å; Y72-M91 HydrophobicContact CG-CG 4.23Å; L87-M91 HydrophobicContact CD1-CE 3.75Å; L87-M91 HydrophobicContact CD1-CG 4Å; L87-M91 HydrophobicContact CG-CG 4.4Å; L87-M91 WeakPolarHBondContact O-CB 3.35Å; L87-M91 WeakPolarHBondContact O-CG 3.14Å; L87-M91 PolarHBondContact O-N 2.84Å
92N86.7Confident76.4Confident15 Ų1592.3 Ų92.38%0.0847%0.469CS..THydrogen-bonded Turntrans-927.9179.2-60.1-18.6000113.3L71 Y72 M88 K94 H95 K96L71-N92 HydrophobicContact CD2-CB 4.13Å; Y72-N92 WeakPolarHBondContact CB-OD1 3.43Å; Y72-N92 PolarHBondContact N-OD1 2.98Å; M88-N92 VanDerWaalsContact O-CB 3.25Å; M88-N92 WeakPolarHBondContact O-CB 3.36Å; M88-N92 PolarHBondContact O-N 2.61Å; N92-K94 PolarHBondContact O-N 3.42Å; N92-H95 PolarHBondContact O-N 3.27Å; N92-K96 PolarHBondContact O-N 3.13Å
93A80.1Confident74.4Confident52 Ų5294.6 Ų94.643%0.4347%0.472SS..Hα-helixtrans-60-34-176.600000113.2L89 Q90 A97L89-A93 WeakPolarHBondContact O-CA 2.93Å; L89-A93 WeakPolarHBondContact O-CB 3.08Å; L89-A93 PolarHBondContact O-N 3.21Å; L89-A93 VanDerWaalsContact O-N 3.14Å; Q90-A93 WeakPolarHBondContact O-CB 3.22Å; A93-A97 PolarHBondContact O-N 3.37Å
94K69.7Low72.8Confident182 Ų18292.3 Ų92.379%0.79147%0.469SS*.Hα-helixtrans-67.8-44.5179.8-64.4-176.4178.5-177.30111.7N92 K96 A97N92-K94 PolarHBondContact O-N 3.42Å; K94-K96 PolarHBondContact O-N 3.37Å; K94-A97 PolarHBondContact O-N 3.48Å
95H65.7Low71.1Confident52 Ų5296.4 Ų96.424%0.24149%0.494CS..Hα-helixtrans-66.6-37.3179.9-164.5-76.3000112.4L71 N92 A97 E98 E99L71-H95 HydrophobicContact CD2-CB 3.85Å; N92-H95 PolarHBondContact O-N 3.27Å; H95-A97 VanDerWaalsContact C-N 3.32Å; H95-A97 PolarHBondContact O-N 2.96Å; H95-E98 PolarHBondContact O-N 3.01Å; H95-E99 IonicContact CE1-OE1 2.59Å; H95-E99 PolarHBondContact CE1-OE1 3.17Å; H95-E99 VanDerWaalsContact CE1-OE1 3.24Å; H95-E99 VanDerWaalsContact ND1-CD 3.33Å; H95-E99 IonicContact ND1-OE1 2.74Å; H95-E99 PolarHBondContact ND1-OE1 3.07Å; H95-E99 IonicContact ND1-OE2 2.84Å; H95-E99 PolarHBondContact ND1-OE2 3.34Å; H95-E99 PolarHBondContact O-N 2.97Å
96K63.6Low69.6Low105 Ų105103.4 Ų103.446%0.45753%0.526SS..Hα-helixtrans-68.6-26.5177.5-77.4-170.7173.7-171.50114.3N92 K94 V100N92-K96 PolarHBondContact O-N 3.13Å; K94-K96 PolarHBondContact O-N 3.37Å; K96-V100 WeakPolarHBondContact O-CB 3.32Å; K96-V100 WeakPolarHBondContact O-CG2 3.38Å; K96-V100 PolarHBondContact O-N 3.49Å
97A60.3Low68.4Low63 Ų63101.4 Ų101.452%0.52152%0.523SS..Hα-helixtrans-72.5-36.3177.800000111.1A93 K94 H95 E101A93-A97 PolarHBondContact O-N 3.37Å; K94-A97 PolarHBondContact O-N 3.48Å; H95-A97 VanDerWaalsContact C-N 3.32Å; H95-A97 PolarHBondContact O-N 2.96Å; A97-E101 PolarHBondContact O-N 3.47Å
98E57.8Low67.5Low124 Ų124106.9 Ų106.958%0.57955%0.552SS**Hα-helixtrans-73.8-44.3178.7-160.8162.3-163.700111.2H95 V100 E101 D102H95-E98 PolarHBondContact O-N 3.01Å; E98-V100 VanDerWaalsContact C-N 3.25Å; E98-V100 PolarHBondContact O-N 3.14Å; E98-E101 PolarHBondContact O-N 3.27Å; E98-E101 VanDerWaalsContact O-N 3.14Å; E98-D102 PolarHBondContact O-N 3.07Å
99E58.3Low66.8Low88 Ų88107.8 Ų107.841%0.41156%0.559SS.*Hα-helixtrans-58.6-35172.3-77178.9149.100112.8H95 D102 E103H95-E99 IonicContact CE1-OE1 2.59Å; H95-E99 PolarHBondContact CE1-OE1 3.17Å; H95-E99 VanDerWaalsContact CE1-OE1 3.24Å; H95-E99 VanDerWaalsContact ND1-CD 3.33Å; H95-E99 IonicContact ND1-OE1 2.74Å; H95-E99 PolarHBondContact ND1-OE1 3.07Å; H95-E99 IonicContact ND1-OE2 2.84Å; H95-E99 PolarHBondContact ND1-OE2 3.34Å; H95-E99 PolarHBondContact O-N 2.97Å; E99-D102 PolarHBondContact O-N 3.06Å; E99-E103 WeakPolarHBondContact O-CB 3.25Å; E99-E103 VanDerWaalsContact O-CG 3.29Å; E99-E103 WeakPolarHBondContact O-CG 3.32Å; E99-E103 PolarHBondContact O-N 3.04Å
100V54.9Low66.6Low91 Ų91106.5 Ų106.555%0.55256%0.558SS**Hα-helixtrans-74.7-26.5179.8170.40000112.6K96 E98 E103 T104K96-V100 WeakPolarHBondContact O-CB 3.32Å; K96-V100 WeakPolarHBondContact O-CG2 3.38Å; K96-V100 PolarHBondContact O-N 3.49Å; E98-V100 VanDerWaalsContact C-N 3.25Å; E98-V100 PolarHBondContact O-N 3.14Å; V100-E103 CarbonylContact O-C 3.54Å; V100-T104 PolarHBondContact O-N 3.14Å
101E54.8Low66.2Low147 Ų147105.7 Ų105.769%0.68756%0.558SS**Hα-helixtrans-69.8-42.1171.3-76.6-167.9156.200110.9A97 E98 T104A97-E101 PolarHBondContact O-N 3.47Å; E98-E101 PolarHBondContact O-N 3.27Å; E98-E101 VanDerWaalsContact O-N 3.14Å; E101-T104 WeakPolarHBondContact O-CG2 3.46Å; E101-T104 PolarHBondContact O-N 2.88Å; E101-T104 PolarHBondContact O-OG1 2.95Å
102D53.5Low65.8Low143 Ų143107.3 Ų107.377%0.76556%0.564SS**Hα-helixtrans-72.2-33.5176.9-70.1-26.1000112.4E98 E99 T104E98-D102 PolarHBondContact O-N 3.07Å; E99-D102 PolarHBondContact O-N 3.06Å; D102-T104 PolarHBondContact O-N 3Å
103E50.8Low65.6Low139 Ų139110.6 Ų110.665%0.6558%0.579SS**THydrogen-bonded Turntrans-83.425.6171.3-69.1-173.7165.900112.9E99 V100 V105E99-E103 WeakPolarHBondContact O-CB 3.25Å; E99-E103 VanDerWaalsContact O-CG 3.29Å; E99-E103 WeakPolarHBondContact O-CG 3.32Å; E99-E103 PolarHBondContact O-N 3.04Å; V100-E103 CarbonylContact O-C 3.54Å; E103-V105 WeakPolarHBondContact O-CG2 3.4Å; E103-V105 PolarHBondContact O-N 2.82Å
104T56.2Low65.8Low112 Ų112112.5 Ų112.569%0.68758%0.58SS**SBendtrans-70.458.5161.1510000110.9V100 E101 D102V100-T104 PolarHBondContact O-N 3.14Å; E101-T104 WeakPolarHBondContact O-CG2 3.46Å; E101-T104 PolarHBondContact O-N 2.88Å; E101-T104 PolarHBondContact O-OG1 2.95Å; D102-T104 PolarHBondContact O-N 3Å
105V58Low66.4Low95 Ų95106.6 Ų106.658%0.57657%0.566SS**  trans22.8102155.9-150.40000113E103 L107E103-V105 WeakPolarHBondContact O-CG2 3.4Å; E103-V105 PolarHBondContact O-N 2.82Å; V105-L107 HydrophobicContact CB-CD1 4.49Å; V105-L107 HydrophobicContact CB-CD2 4.27Å; V105-L107 HydrophobicContact CB-CG 3.88Å; V105-L107 HydrophobicContact CG1-CD2 3.49Å; V105-L107 VanDerWaalsContact CG1-CD2 3.49Å; V105-L107 HydrophobicContact CG1-CG 3.62Å; V105-L107 PolarHBondContact O-N 3.14Å
106E57.9Low67.2Low192 Ų192112.4 Ų112.490%0.89759%0.585SS**  trans-5979.3155.9-64.6-174.915700108.2D108E106-D108 PolarHBondContact O-N 2.84Å
107L65.8Low67.9Low115 Ų115114.3 Ų114.360%0.60259%0.59SS**  trans-77.2112.3173.5-71.7171.2000107V105 V109V105-L107 HydrophobicContact CB-CD1 4.49Å; V105-L107 HydrophobicContact CB-CD2 4.27Å; V105-L107 HydrophobicContact CB-CG 3.88Å; V105-L107 HydrophobicContact CG1-CD2 3.49Å; V105-L107 VanDerWaalsContact CG1-CD2 3.49Å; V105-L107 HydrophobicContact CG1-CG 3.62Å; V105-L107 PolarHBondContact O-N 3.14Å; L107-V109 PolarHBondContact O-N 2.99Å
108D70.4Confident68.7Low165 Ų165118.1 Ų118.188%0.88259%0.592SS**SBendtrans-56.1-18.2174.5-71.1-34.4000113.2E106E106-D108 PolarHBondContact O-N 2.84Å
109V75.2Confident69.6Low47 Ų47119 Ų11929%0.28560%0.596SS.*SBendtrans-135.2122.5-179.3-171.60000109.6L107 E113L107-V109 PolarHBondContact O-N 2.99Å; V109-E113 HydrophobicContact CG1-CB 3.84Å; V109-E113 HydrophobicContact CG1-CG 4.06Å
110S81.7Confident70.3Confident65 Ų65119.7 Ų119.746%0.45561%0.606SS.*  trans-66.9147172.61730000111.4E112 E113 M114S110-E112 PolarHBondContact O-N 3.38Å; S110-E112 VanDerWaalsContact O-N 3.11Å; S110-E112 PolarHBondContact OG-N 3.31Å; S110-E113 PolarHBondContact O-N 3Å; S110-M114 PolarHBondContact O-N 2.98Å
111D80.4Confident70.9Confident123 Ų123119.8 Ų119.866%0.65860%0.603SS**Hα-helixtrans-51.4-33.7173.2-72-9000112.5M114 A115D111-M114 PolarHBondContact O-N 3.4Å; D111-A115 WeakPolarHBondContact O-CB 3.49Å; D111-A115 PolarHBondContact O-N 3.28Å
112E80.5Confident71.6Confident139 Ų139117.3 Ų117.365%0.6560%0.598SS**Hα-helixtrans-66.4-40.3175.9-63.7-173.6179.300112.4S110 A115 R116S110-E112 PolarHBondContact O-N 3.38Å; S110-E112 VanDerWaalsContact O-N 3.11Å; S110-E112 PolarHBondContact OG-N 3.31Å; E112-A115 PolarHBondContact O-N 3.22Å; E112-R116 WeakPolarHBondContact O-CG 3.33Å; E112-R116 PolarHBondContact O-N 3.26Å
113E81.7Confident72.1Confident84 Ų84112.3 Ų112.339%0.39358%0.58SS.*Hα-helixtrans-72.5-38.7178.3-172-179.7168.700110.9V109 S110 A115 R116 R117V109-E113 HydrophobicContact CG1-CB 3.84Å; V109-E113 HydrophobicContact CG1-CG 4.06Å; S110-E113 PolarHBondContact O-N 3Å; E113-A115 VanDerWaalsContact C-N 3.34Å; E113-A115 PolarHBondContact O-N 2.97Å; E113-R116 PolarHBondContact O-N 2.94Å; E113-R117 WeakPolarHBondContact O-CG 3.45Å; E113-R117 PolarHBondContact O-N 3.01Å; E113-R117 VanDerWaalsContact O-N 3.13Å; E113-R117 IonicContact OE1-CZ 3.46Å; E113-R117 IonicContact OE1-NE 3.48Å; E113-R117 PolarHBondContact OE1-NE 3.46Å; E113-R117 IonicContact OE1-NH2 2.61Å; E113-R117 PolarHBondContact OE1-NH2 3.36Å
114M84.2Confident72.9Confident91 Ų91109.2 Ų109.245%0.44857%0.571SS.*Hα-helixtrans-57.6-48.4172-174.5175.2-65.300110.5S110 D111 R116 R117 Y118S110-M114 PolarHBondContact O-N 2.98Å; D111-M114 PolarHBondContact O-N 3.4Å; M114-R116 PolarHBondContact O-N 2.86Å; M114-R117 PolarHBondContact O-N 2.6Å; M114-R117 VanDerWaalsContact O-N 3.17Å; M114-Y118 HydrophobicContact CG-CD2 3.68Å; M114-Y118 HydrophobicContact CG-CE2 3.59Å; M114-Y118 VanDerWaalsContact O-CD2 3.29Å; M114-Y118 WeakPolarHBondContact O-CD2 3.31Å; M114-Y118 PolarHBondContact O-N 2.83Å; M114-Y118 HydrophobicContact SD-CE2 4.07Å
115A83Confident73.5Confident59 Ų59107.4 Ų107.449%0.48856%0.556SS.*Hα-helixtrans-57.2-4517900000112.8D111 E112 E113 R117 Y118 E119D111-A115 WeakPolarHBondContact O-CB 3.49Å; D111-A115 PolarHBondContact O-N 3.28Å; E112-A115 PolarHBondContact O-N 3.22Å; E113-A115 VanDerWaalsContact C-N 3.34Å; E113-A115 PolarHBondContact O-N 2.97Å; A115-R117 VanDerWaalsContact C-N 3.34Å; A115-R117 PolarHBondContact O-N 3.31Å; A115-Y118 PolarHBondContact O-N 3.31Å; A115-E119 PolarHBondContact O-N 3.22Å
116R81.6Confident73.8Confident173 Ų173105.1 Ų105.165%0.65355%0.552SS**Hα-helixtrans-62.8-38.1177.8-69.6179.3-173.2-1655112.8E112 E113 M114 T120E112-R116 WeakPolarHBondContact O-CG 3.33Å; E112-R116 PolarHBondContact O-N 3.26Å; E113-R116 PolarHBondContact O-N 2.94Å; M114-R116 PolarHBondContact O-N 2.86Å; R116-T120 PolarHBondContact O-OG1 3.39Å
117R79.3Confident74.2Confident145 Ų145100.4 Ų100.455%0.54753%0.528SS..Hα-helixtrans-68.1-37.5175.9-68.3179.6-174.6-1536.5111.8E113 M114 A115 T120 L121E113-R117 WeakPolarHBondContact O-CG 3.45Å; E113-R117 PolarHBondContact O-N 3.01Å; E113-R117 VanDerWaalsContact O-N 3.13Å; E113-R117 IonicContact OE1-CZ 3.46Å; E113-R117 IonicContact OE1-NE 3.48Å; E113-R117 PolarHBondContact OE1-NE 3.46Å; E113-R117 IonicContact OE1-NH2 2.61Å; E113-R117 PolarHBondContact OE1-NH2 3.36Å; M114-R117 PolarHBondContact O-N 2.6Å; M114-R117 VanDerWaalsContact O-N 3.17Å; A115-R117 VanDerWaalsContact C-N 3.34Å; A115-R117 PolarHBondContact O-N 3.31Å; R117-T120 PolarHBondContact O-OG1 3.38Å; R117-T120 VanDerWaalsContact O-OG1 3.07Å; R117-L121 WeakPolarHBondContact O-CB 3.32Å; R117-L121 PolarHBondContact O-N 3.07Å
118Y77.4Confident74.3Confident144 Ų144102.7 Ų102.757%0.56553%0.533SS*.Hα-helixtrans-69.2-39.2176.6-88.7-82000112.9M114 A115 T120 L121 V122M114-Y118 HydrophobicContact CG-CD2 3.68Å; M114-Y118 HydrophobicContact CG-CE2 3.59Å; M114-Y118 VanDerWaalsContact O-CD2 3.29Å; M114-Y118 WeakPolarHBondContact O-CD2 3.31Å; M114-Y118 PolarHBondContact O-N 2.83Å; M114-Y118 HydrophobicContact SD-CE2 4.07Å; A115-Y118 PolarHBondContact O-N 3.31Å; Y118-T120 VanDerWaalsContact C-N 3.33Å; Y118-T120 PolarHBondContact O-N 3.36Å; Y118-L121 PolarHBondContact O-N 3.14Å; Y118-V122 HydrophobicContact CD1-CG2 4.19Å; Y118-V122 WeakPolarHBondContact O-CB 3.4Å; Y118-V122 WeakPolarHBondContact O-CG2 3.46Å; Y118-V122 PolarHBondContact O-N 3.47Å
119E76.1Confident74.2Confident143 Ų143103 Ų10367%0.66853%0.527SS*.Hα-helixtrans-54.6-48.3177.3-174.1174.3-161.300111.8A115A115-E119 PolarHBondContact O-N 3.22Å
120T72.5Confident73.8Confident102 Ų102102.4 Ų102.463%0.62653%0.527SS*.Hα-helixtrans-73-34.8-179.451.80000113.5R116 R117 Y118R116-T120 PolarHBondContact O-OG1 3.39Å; R117-T120 PolarHBondContact O-OG1 3.38Å; R117-T120 VanDerWaalsContact O-OG1 3.07Å; Y118-T120 VanDerWaalsContact C-N 3.33Å; Y118-T120 PolarHBondContact O-N 3.36Å
121L68.4Low73.4Confident93 Ų93109 Ų10949%0.48754%0.542SS..Hα-helixtrans-81.7-35.7-174.2-170.660000113.2R117 Y118 T124 I125R117-L121 WeakPolarHBondContact O-CB 3.32Å; R117-L121 PolarHBondContact O-N 3.07Å; Y118-L121 PolarHBondContact O-N 3.14Å; L121-T124 PolarHBondContact O-N 3.47Å; L121-T124 PolarHBondContact O-OG1 3.25Å; L121-T124 VanDerWaalsContact O-OG1 3.07Å; L121-I125 HydrophobicContact CD1-CD1 3.93Å; L121-I125 HydrophobicContact CD1-CG1 4.45Å; L121-I125 HydrophobicContact CD2-CD1 4.36Å; L121-I125 HydrophobicContact CG-CD1 3.82Å; L121-I125 PolarHBondContact O-N 3.12Å; L121-I125 VanDerWaalsContact O-N 3.14Å
122V68.4Low72.8Confident94 Ų94112.7 Ų112.757%0.5755%0.552SS**Hα-helixtrans-67.7-38.1-177.4172.40000111.8Y118 T124 G126Y118-V122 HydrophobicContact CD1-CG2 4.19Å; Y118-V122 WeakPolarHBondContact O-CB 3.4Å; Y118-V122 WeakPolarHBondContact O-CG2 3.46Å; Y118-V122 PolarHBondContact O-N 3.47Å; V122-T124 VanDerWaalsContact C-N 3.31Å; V122-T124 PolarHBondContact O-N 3.03Å; V122-G126 PolarHBondContact O-N 3Å
123G65.1Low72.1Confident38 Ų38116.9 Ų116.939%0.39256%0.562SS.*Hα-helixtrans-64.2-33177.200000113.8
124T67.9Low71.3Confident75 Ų75116.2 Ų116.246%0.4656%0.561SS.*Hα-helixtrans-86.8-29.5-177.760.50000113.5L121 V122L121-T124 PolarHBondContact O-N 3.47Å; L121-T124 PolarHBondContact O-OG1 3.25Å; L121-T124 VanDerWaalsContact O-OG1 3.07Å; V122-T124 VanDerWaalsContact C-N 3.31Å; V122-T124 PolarHBondContact O-N 3.03Å
125I67.6Low70.4Confident74 Ų74116.6 Ų116.638%0.37956%0.562SS.*Hα-helixtrans-72.8-37178.4-87.6170000112.4L121 K127 K128 F129L121-I125 HydrophobicContact CD1-CD1 3.93Å; L121-I125 HydrophobicContact CD1-CG1 4.45Å; L121-I125 HydrophobicContact CD2-CD1 4.36Å; L121-I125 HydrophobicContact CG-CD1 3.82Å; L121-I125 PolarHBondContact O-N 3.12Å; L121-I125 VanDerWaalsContact O-N 3.14Å; I125-K127 PolarHBondContact O-N 3.4Å; I125-K128 PolarHBondContact O-N 3.43Å; I125-F129 HydrophobicContact CG2-CD2 4.09Å; I125-F129 HydrophobicContact CG2-CE2 4.01Å; I125-F129 WeakPolarHBondContact O-CD2 3.47Å
126G65.5Low69.5Low47 Ų47117.5 Ų117.549%0.48557%0.569SS.*Hα-helixtrans-56-34.517800000113.3V122 K128 A130V122-G126 PolarHBondContact O-N 3Å; G126-K128 PolarHBondContact O-N 3.38Å; G126-A130 PolarHBondContact O-N 3.16Å
127K65Low68.7Low92 Ų92113.8 Ų113.840%0.456%0.562SS.*Hα-helixtrans-68.1-29.2176.3-80.4172.5164.6167.70113.8I125 F129 E140 I146I125-K127 PolarHBondContact O-N 3.4Å; K127-F129 VanDerWaalsContact C-N 3.34Å; K127-E140 IonicContact NZ-OE1 2.6Å; K127-E140 PolarHBondContact NZ-OE1 3.09Å; K127-I146 HydrophobicContact CD-CD1 3.93Å; K127-I146 HydrophobicContact CG-CD1 4.39Å
128K67.4Low68.1Low164 Ų164112.9 Ų112.971%0.71356%0.56SS**Hα-helixtrans-77.3-21.6-176.7-62-173.7-177.3-172.10113I125 G126I125-K128 PolarHBondContact O-N 3.43Å; G126-K128 PolarHBondContact O-N 3.38Å
129F69.3Low67.5Low171 Ų171112 Ų11275%0.7556%0.561SS**Hα-helixtrans-109.3-5.1-179.2-62.4-75.8000113.7I125 K127I125-F129 HydrophobicContact CG2-CD2 4.09Å; I125-F129 HydrophobicContact CG2-CE2 4.01Å; I125-F129 WeakPolarHBondContact O-CD2 3.47Å; K127-F129 VanDerWaalsContact C-N 3.34Å
130A67.8Low66.8Low35 Ų35111.2 Ų111.229%0.28956%0.557SS.*SBendtrans-67.7134.9173.700000111G126G126-A130 PolarHBondContact O-N 3.16Å
131R72.7Confident66.2Low204 Ų204109.3 Ų109.377%0.7754%0.543SS*.  trans-71.8145.4174.1-71-178.6167.3-168.6-3.1108.9R133 D134R131-R133 PolarHBondContact O-N 3.35Å; R131-D134 PolarHBondContact O-N 3.22Å
132K67.3Low65.6Low200 Ų200114.9 Ų114.987%0.8757%0.566SS**THydrogen-bonded Turntrans-50.8-21.7-175.7-162.5171.9-178.8178.60115.1
133R66.6Low65.1Low226 Ų226117.2 Ų117.285%0.85358%0.576SS**THydrogen-bonded Turntrans-81.4-21.9179.6-151.9-179.2-69.7154.8-3.5113.7R131R131-R133 PolarHBondContact O-N 3.35Å
134D64.4Low64.8Low71 Ų71117.6 Ų117.638%0.3858%0.58SS.*THydrogen-bonded Turntrans-94.3-8.6-173.4-57.3-38.4000113R131 A136 N137 Y138R131-D134 PolarHBondContact O-N 3.22Å; D134-A136 PolarHBondContact O-N 3.47Å; D134-N137 PolarHBondContact O-N 2.98Å; D134-Y138 WeakPolarHBondContact O-CD2 3.14Å
135H64.4Low64.2Low99 Ų99118 Ų11846%0.45858%0.579SS.*G310 helixtrans-62.2-25.2178.1-79.4-90.3000113.9N137H135-N137 PolarHBondContact O-N 3.17Å
136A65.7Low63.9Low77 Ų77117 Ų11764%0.63657%0.574SS**G310 helixtrans-76.5-6.4-179.600000113.8D134 I149D134-A136 PolarHBondContact O-N 3.47Å; A136-I149 WeakPolarHBondContact O-CD1 3.49Å
137N64.8Low63.6Low95 Ų95120.3 Ų120.351%0.50858%0.575SS.*G310 helixtrans-97.44.7-175.8-72.8-18.3000114D134 H135 I149D134-N137 PolarHBondContact O-N 2.98Å; H135-N137 PolarHBondContact O-N 3.17Å; N137-I149 PolarHBondContact O-N 3.36Å
138Y65.9Low63.6Low127 Ų127120.3 Ų120.350%0.49858%0.584SS.*EExtended strand (participates in β ladder)trans-129.7129.9-172.5-70.5-78.4000110.4D134 I146 P148D134-Y138 WeakPolarHBondContact O-CD2 3.14Å; Y138-I146 HydrophobicContact CD1-CG2 3.98Å; Y138-I146 HydrophobicContact CG-CG2 4.1Å; Y138-P148 HydrophobicContact CE1-CB 4.41Å
139E64.7Low63.6Low124 Ų124116.2 Ų116.258%0.57957%0.57SS**EExtended strand (participates in β ladder)trans-116147.7174.9-76.3-173.7-164.600110.6I146 K147 I149E139-I146 CarbonylContact O-C 3.55Å; E139-I146 WeakPolarHBondContact O-CA 3.39Å; E139-K147 PolarHBondContact N-O 3.27Å; E139-K147 PolarHBondContact O-N 2.74Å; E139-I149 HydrophobicContact CB-CG1 4.36Å; E139-I149 HydrophobicContact CG-CD1 3.85Å; E139-I149 HydrophobicContact CG-CG1 3.73Å
140E60.9Low63.4Low128 Ų128117.3 Ų117.360%0.59857%0.574SS**EExtended strand (participates in β ladder)trans-91125177.3-78.9174.4179.600110.2K127 I146K127-E140 IonicContact NZ-OE1 2.6Å; K127-E140 PolarHBondContact NZ-OE1 3.09Å; E140-I146 HydrophobicContact CG-CG1 3.78Å
141D61.2Low63.2Low61 Ų61120.2 Ų120.233%0.32660%0.598SS.*  trans-76.8166.5171.4-73.5-4.4000111.1N143 G144 D145 K147D141-N143 PolarHBondContact O-N 3.26Å; D141-G144 PolarHBondContact O-N 3.48Å; D141-D145 WeakPolarHBondContact CB-O 3.4Å; D141-D145 PolarHBondContact N-O 3.23Å; D141-K147 WeakPolarHBondContact OD2-CD 3.42Å; D141-K147 WeakPolarHBondContact OD2-CE 3.3Å; D141-K147 IonicContact OD2-NZ 2.7Å; D141-K147 PolarHBondContact OD2-NZ 3.11Å
142E56Low62.9Low210 Ų210120 Ų12098%0.98160%0.603SS**THydrogen-bonded Turntrans-57.2-19.5-178.5-67.2-174.8157.300114.7
143N56.5Low62.9Low144 Ų144120.9 Ų120.977%0.7761%0.606SS**THydrogen-bonded Turntrans-91.32.7175.1-69.8-22.7000114D141 D145D141-N143 PolarHBondContact O-N 3.26Å; N143-D145 VanDerWaalsContact C-N 3.29Å
144G58.7Low63.1Low46 Ų46117.9 Ų117.947%0.47460%0.604SS.*SBendtrans82.12.6-175.300000114.6D141D141-G144 PolarHBondContact O-N 3.48Å
145D55.8Low63.3Low83 Ų83124.1 Ų124.144%0.44463%0.628SS.*  trans-79.7131.4177.1-66.8-39.4000111.3D141 N143D141-D145 WeakPolarHBondContact CB-O 3.4Å; D141-D145 PolarHBondContact N-O 3.23Å; N143-D145 VanDerWaalsContact C-N 3.29Å
146I60.4Low63.9Low53 Ų53126.7 Ų126.727%0.27264%0.644SS.*EExtended strand (participates in β ladder)trans-97.3118.7-172.8-54.1140.2000110K127 Y138 E139 E140K127-I146 HydrophobicContact CD-CD1 3.93Å; K127-I146 HydrophobicContact CG-CD1 4.39Å; Y138-I146 HydrophobicContact CD1-CG2 3.98Å; Y138-I146 HydrophobicContact CG-CG2 4.1Å; E139-I146 CarbonylContact O-C 3.55Å; E139-I146 WeakPolarHBondContact O-CA 3.39Å; E140-I146 HydrophobicContact CG-CG1 3.78Å
147K60.5Low64.1Low116 Ų116132.1 Ų132.150%0.50465%0.654SS.*EExtended strand (participates in β ladder)trans-113147.8-179.5-67-173.3-1761530112.3E139 D141E139-K147 PolarHBondContact N-O 3.27Å; E139-K147 PolarHBondContact O-N 2.74Å; D141-K147 WeakPolarHBondContact OD2-CD 3.42Å; D141-K147 WeakPolarHBondContact OD2-CE 3.3Å; D141-K147 IonicContact OD2-NZ 2.7Å; D141-K147 PolarHBondContact OD2-NZ 3.11Å
148P64.6Low64.3Low92 Ų92133 Ų13360%0.59767%0.665SS**EExtended strand (participates in β ladder)trans-68.8135.7176.128-33.6000111Y138 K150Y138-P148 HydrophobicContact CE1-CB 4.41Å; P148-K150 PolarHBondContact O-N 3Å
149I67.8Low64.3Low79 Ų79136 Ų13641%0.40568%0.683SS.*PPolyproline II helixtrans-63.5120.1179.9-63171.7000109.5A136 N137 E139 A151A136-I149 WeakPolarHBondContact O-CD1 3.49Å; N137-I149 PolarHBondContact O-N 3.36Å; E139-I149 HydrophobicContact CB-CG1 4.36Å; E139-I149 HydrophobicContact CG-CD1 3.85Å; E139-I149 HydrophobicContact CG-CG1 3.73Å; I149-A151 PolarHBondContact O-N 3.34Å
150K64.8Low63.9Low193 Ų193141.8 Ų141.884%0.83972%0.718SS**PPolyproline II helixtrans-71123176.1-66.5179.9-178.5174.10109.6P148 K152P148-K150 PolarHBondContact O-N 3Å; K150-K152 PolarHBondContact O-N 3.23Å
151A64.3Low64Low96 Ų96142.5 Ų142.579%0.79372%0.724SS**PPolyproline II helixtrans-60.8130.8177.600000111.4I149 K153I149-A151 PolarHBondContact O-N 3.34Å; A151-K153 PolarHBondContact O-N 2.87Å
152K64.9Low64.2Low201 Ų201146.7 Ų146.787%0.87475%0.745SS**PPolyproline II helixtrans-67.5127.2177.3-67177.6-178.1174.40109.5K150 M154K150-K152 PolarHBondContact O-N 3.23Å; K152-M154 PolarHBondContact O-N 2.82Å; K152-M154 VanDerWaalsContact O-N 3.16Å
153K68.6Low64.6Low217 Ų217143.2 Ų143.294%0.94373%0.732SS**  trans-65.9112.5174.9-64-176.7179.8-1790108.8A151A151-K153 PolarHBondContact O-N 2.87Å
154M70.9Confident65.1Low163 Ų163143.2 Ų143.280%0.80373%0.73SS**  trans-83.3147.1174.252.5168.63400111.3K152 L156K152-M154 PolarHBondContact O-N 2.82Å; K152-M154 VanDerWaalsContact O-N 3.16Å; M154-L156 PolarHBondContact O-N 3.42Å
155F68.8Low65.5Low203 Ų203149.3 Ų149.389%0.8975%0.745SS**  trans-72.8114.5-179.8-150.8-96000109.5
156L76.1Confident66.1Low152 Ų152153.7 Ų153.780%0.79677%0.766SS**PPolyproline II helixtrans-79132.1171-8998.5000109.6M154M154-L156 PolarHBondContact O-N 3.42Å
157K69.3Low66.5Low192 Ų192160.9 Ų160.984%0.83580%0.801SS**PPolyproline II helixtrans-74.4136.2176-141.9177.5-176.6-173.90109.5
158P70.7Confident67Low113 Ų113164.3 Ų164.373%0.73482%0.824SS**PPolyproline II helixtrans-62.7146.7176.5-18.530.7000111.3
159Q63.9Low67.2Low191 Ų191170.3 Ų170.389%0.89384%0.843SS**PPolyproline II helixtrans-84.8141.9173-67.8-175-24.400110
160D56.5Low67.2Low244 Ų244178.6 Ų178.6100%1.30588%0.882SS**  trans-72.30172.6-71.6-32.8000112.1

Retrieved 160 of 160 residues in 27.7 ms (Link to these results)