A0A096MH08_POEFO Loading...

REC8 meiotic recombination protein b

AlphaFold DB , UniProt , Accession A0A096MH08, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 544 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
1M45Very low61.6Low177 Ų177107.8 Ų107.887%0.87250%0.496SS*.  0116.20-160.7-175.6-165.100107.6Y3M1-Y3 HydrophobicContact CB-CD1 4.2Å; M1-Y3 HydrophobicContact CB-CE1 4.11Å; M1-Y3 HydrophobicContact CG-CD1 3.98Å; M1-Y3 HydrophobicContact CG-CE1 4.12Å; M1-Y3 PolarHBondContact O-N 3.5Å; M1-Y3 HydrophobicContact SD-CD1 4.02Å; M1-Y3 HydrophobicContact SD-CE1 3.73Å
2F48.8Very low61.3Low163 Ų163102.8 Ų102.872%0.71548%0.482SS*.  trans-87.684.3-170.8-63.5-84.3000112.1
3Y56.6Low61.9Low71 Ų7196.1 Ų96.128%0.27846%0.457SS..  trans-124.4143.3165.560.4-90.8000109.5M1 P5M1-Y3 HydrophobicContact CB-CD1 4.2Å; M1-Y3 HydrophobicContact CB-CE1 4.11Å; M1-Y3 HydrophobicContact CG-CD1 3.98Å; M1-Y3 HydrophobicContact CG-CE1 4.12Å; M1-Y3 PolarHBondContact O-N 3.5Å; M1-Y3 HydrophobicContact SD-CD1 4.02Å; M1-Y3 HydrophobicContact SD-CE1 3.73Å; Y3-P5 HydrophobicContact CD2-CB 4.16Å; Y3-P5 HydrophobicContact CD2-CG 3.84Å; Y3-P5 HydrophobicContact CE2-CB 4.02Å; Y3-P5 HydrophobicContact CE2-CG 3.75Å; Y3-P5 WeakPolarHBondContact O-CD 3.49Å
4Y66Low63.5Low77 Ų7791.9 Ų91.930%0.30244%0.442SS..  trans-89.498.8177-179.6-108.3000109A6 V7 P56 P63Y4-A6 VanDerWaalsContact C-N 3.29Å; Y4-A6 HydrophobicContact CD1-CB 4.39Å; Y4-A6 HydrophobicContact CE1-CB 3.8Å; Y4-A6 HydrophobicContact CE2-CB 4.49Å; Y4-A6 PolarHBondContact O-N 3.31Å; Y4-V7 HydrophobicContact CD1-CB 4.19Å; Y4-V7 HydrophobicContact CD1-CG2 3.64Å; Y4-V7 HydrophobicContact CE1-CG2 3.96Å; Y4-V7 PolarHBondContact O-N 3.19Å; Y4-P56 HydrophobicContact CE2-CG 3.99Å; Y4-P56 WeakPolarHBondContact OH-CG 3.43Å; Y4-P63 HydrophobicContact CD1-CB 4.08Å; Y4-P63 HydrophobicContact CD2-CB 4.07Å; Y4-P63 HydrophobicContact CE1-CB 4.49Å; Y4-P63 HydrophobicContact CE2-CB 4.5Å; Y4-P63 HydrophobicContact CG-CB 3.86Å
5P62.3Low65.2Low76 Ų7686.3 Ų86.349%0.49442%0.416SS..G310 helixtrans-70.7-26.7-162.3-15.931.2000112.8Y3 V7 L8 N9Y3-P5 HydrophobicContact CD2-CB 4.16Å; Y3-P5 HydrophobicContact CD2-CG 3.84Å; Y3-P5 HydrophobicContact CE2-CB 4.02Å; Y3-P5 HydrophobicContact CE2-CG 3.75Å; Y3-P5 WeakPolarHBondContact O-CD 3.49Å; P5-V7 PolarHBondContact O-N 2.88Å; P5-V7 VanDerWaalsContact O-N 3.13Å; P5-L8 PolarHBondContact O-N 3.21Å; P5-N9 PolarHBondContact O-N 3.41Å
6A64.3Low66.6Low51 Ų5181.4 Ų81.442%0.42139%0.393SS..G310 helixtrans-60.4-23.8-17900000113.7Y4 L8 N9Y4-A6 VanDerWaalsContact C-N 3.29Å; Y4-A6 HydrophobicContact CD1-CB 4.39Å; Y4-A6 HydrophobicContact CE1-CB 3.8Å; Y4-A6 HydrophobicContact CE2-CB 4.49Å; Y4-A6 PolarHBondContact O-N 3.31Å; A6-L8 VanDerWaalsContact C-N 3.34Å; A6-N9 VanDerWaalsContact O-CB 3.3Å; A6-N9 WeakPolarHBondContact O-CB 3.33Å; A6-N9 PolarHBondContact O-N 3.3Å
7V70.6Confident67.9Low8 Ų877.5 Ų77.55%0.04838%0.375CS..G310 helixtrans-68-31.2173.4156.60000112.5Y4 P5 N9 S12 F15 Y48 F65Y4-V7 HydrophobicContact CD1-CB 4.19Å; Y4-V7 HydrophobicContact CD1-CG2 3.64Å; Y4-V7 HydrophobicContact CE1-CG2 3.96Å; Y4-V7 PolarHBondContact O-N 3.19Å; P5-V7 PolarHBondContact O-N 2.88Å; P5-V7 VanDerWaalsContact O-N 3.13Å; V7-N9 VanDerWaalsContact C-N 3.35Å; V7-S12 WeakPolarHBondContact O-CB 3.25Å; V7-S12 PolarHBondContact O-OG 3.45Å; V7-F15 HydrophobicContact CG1-CB 3.69Å; V7-F15 HydrophobicContact CG1-CD2 3.55Å; V7-F15 HydrophobicContact CG1-CE2 4.35Å; V7-F15 HydrophobicContact CG1-CG 3.73Å; V7-Y48 HydrophobicContact CG2-CE1 4.12Å; V7-Y48 HydrophobicContact CG2-CE2 4.4Å; V7-Y48 WeakPolarHBondContact CG2-OH 3.27Å; V7-F65 HydrophobicContact CB-CE1 4.19Å; V7-F65 HydrophobicContact CG1-CE1 3.71Å; V7-F65 HydrophobicContact CG1-CZ 3.81Å; V7-F65 HydrophobicContact CG2-CE1 4.23Å
8L71.6Confident69.2Low40 Ų4073.2 Ų73.221%0.20936%0.355CS..G310 helixtrans-86.8-4.6177-69.2-177.1000113.8P5 A6 R10 W19 L69 L73P5-L8 PolarHBondContact O-N 3.21Å; A6-L8 VanDerWaalsContact C-N 3.34Å; L8-R10 PolarHBondContact O-N 2.92Å; L8-W19 HydrophobicContact CD1-CD2 4.33Å; L8-W19 HydrophobicContact CD1-CG 4.2Å; L8-W19 HydrophobicContact CD2-CB 3.57Å; L8-W19 HydrophobicContact CD2-CD2 4.34Å; L8-W19 HydrophobicContact CD2-CG 3.69Å; L8-L69 HydrophobicContact CD1-CD1 3.85Å; L8-L69 HydrophobicContact CD2-CD1 4.14Å; L8-L69 HydrophobicContact CG-CD1 4.26Å; L8-L73 HydrophobicContact CD2-CD2 4.46Å
9N71.2Confident70.2Confident89 Ų8971.9 Ų71.948%0.47635%0.346SS..SBendtrans-56.7133.8176.8-170.8-34.9000109.9P5 A6 V7 R11 S12P5-N9 PolarHBondContact O-N 3.41Å; A6-N9 VanDerWaalsContact O-CB 3.3Å; A6-N9 WeakPolarHBondContact O-CB 3.33Å; A6-N9 PolarHBondContact O-N 3.3Å; V7-N9 VanDerWaalsContact C-N 3.35Å; N9-R11 PolarHBondContact O-N 3.03Å; N9-R11 PolarHBondContact OD1-N 2.97Å; N9-S12 WeakPolarHBondContact O-CB 3.23Å; N9-S12 PolarHBondContact O-N 3.34Å; N9-S12 PolarHBondContact O-OG 3.31Å
10R62.8Low71.2Confident198 Ų19870 Ų7075%0.74734%0.337SS*.THydrogen-bonded Turntrans-54-21-177.5-62.1-176.4-177.5-172.13.1113.5L8L8-R10 PolarHBondContact O-N 2.92Å
11R58.6Low72Confident236 Ų23667.5 Ų67.589%0.89133%0.326SS*.THydrogen-bonded Turntrans-77-21.1174.6-60.6-174-177.4-173.82.8114.6N9 G13N9-R11 PolarHBondContact O-N 3.03Å; N9-R11 PolarHBondContact OD1-N 2.97Å; R11-G13 VanDerWaalsContact C-N 3.28Å; R11-G13 PolarHBondContact O-N 2.78Å
12S58.1Low74.2Confident48 Ų4859.4 Ų59.434%0.33629%0.287SS..THydrogen-bonded Turntrans-72.6-22.2176.995.90000112.7V7 N9 C14V7-S12 WeakPolarHBondContact O-CB 3.25Å; V7-S12 PolarHBondContact O-OG 3.45Å; N9-S12 WeakPolarHBondContact O-CB 3.23Å; N9-S12 PolarHBondContact O-N 3.34Å; N9-S12 PolarHBondContact O-OG 3.31Å; S12-C14 VanDerWaalsContact C-N 3.26Å; S12-C14 PolarHBondContact O-N 3.12Å
13G69.1Low76Confident15 Ų1552.7 Ų52.716%0.15526%0.26CS..  trans77.6-37158.900000117.1R11 S16 T17R11-G13 VanDerWaalsContact C-N 3.28Å; R11-G13 PolarHBondContact O-N 2.78Å; G13-S16 WeakPolarHBondContact CA-OG 3.45Å; G13-S16 PolarHBondContact N-OG 3.45Å; G13-T17 PolarHBondContact O-OG1 3.43Å; G13-T17 VanDerWaalsContact O-OG1 3.1Å
14C83.9Confident76.9Confident37 Ų3754.8 Ų54.825%0.2527%0.27CS..SBendtrans-93.1-58.5178.456.10000111.6S12 S16 T17 I18S12-C14 VanDerWaalsContact C-N 3.26Å; S12-C14 PolarHBondContact O-N 3.12Å; C14-S16 PolarHBondContact O-N 3.34Å; C14-T17 PolarHBondContact O-N 3.39Å; C14-T17 VanDerWaalsContact O-N 3.17Å; C14-I18 WeakPolarHBondContact O-CG1 3.45Å; C14-I18 PolarHBondContact O-N 2.58Å
15F88.9Confident76.8Confident9 Ų953.7 Ų53.74%0.03928%0.283CS..Hα-helixtrans-66.3-34.9-179.1-69.5-56.6000113.4V7 T17 I18 W19 D44 I45 Y48 F65 L73V7-F15 HydrophobicContact CG1-CB 3.69Å; V7-F15 HydrophobicContact CG1-CD2 3.55Å; V7-F15 HydrophobicContact CG1-CE2 4.35Å; V7-F15 HydrophobicContact CG1-CG 3.73Å; F15-T17 VanDerWaalsContact C-N 3.32Å; F15-T17 PolarHBondContact O-N 3.16Å; F15-I18 HydrophobicContact CD1-CD1 4.14Å; F15-I18 HydrophobicContact CE1-CD1 4.49Å; F15-I18 PolarHBondContact O-N 2.94Å; F15-W19 VanDerWaalsContact O-CB 3.23Å; F15-W19 WeakPolarHBondContact O-CB 3.44Å; F15-W19 PolarHBondContact O-N 3.19Å; F15-D44 HydrophobicContact CE2-CB 4.21Å; F15-D44 HydrophobicContact CZ-CB 3.63Å; F15-I45 HydrophobicContact CE1-CD1 4.26Å; F15-I45 HydrophobicContact CE1-CG1 3.68Å; F15-I45 HydrophobicContact CZ-CG1 4.25Å; F15-Y48 HydrophobicContact CE2-CE2 4.05Å; F15-Y48 HydrophobicContact CZ-CE2 4.47Å; F15-F65 HydrophobicContact CE2-CZ 4.46Å; F15-F65 HydrophobicContact CZ-CZ 4.36Å; F15-L73 HydrophobicContact CB-CD2 4.48Å; F15-L73 HydrophobicContact CD1-CD1 3.91Å; F15-L73 HydrophobicContact CD1-CD2 4.11Å; F15-L73 HydrophobicContact CE1-CD1 4.36Å
16S87.3Confident77.4Confident8 Ų854.7 Ų54.76%0.05628%0.283CS..Hα-helixtrans-58.8-42.3171.757.90000112.2G13 C14 L20G13-S16 WeakPolarHBondContact CA-OG 3.45Å; G13-S16 PolarHBondContact N-OG 3.45Å; C14-S16 PolarHBondContact O-N 3.34Å; S16-L20 WeakPolarHBondContact O-CB 3.42Å; S16-L20 VanDerWaalsContact O-CG 3.25Å; S16-L20 WeakPolarHBondContact O-CG 3.46Å; S16-L20 PolarHBondContact O-N 3.32Å
17T88.6Confident78.2Confident15 Ų1561.9 Ų61.99%0.09230%0.304CS..Hα-helixtrans-71.3-44.5178.5-62.60000111.5G13 C14 F15 W19 L20 V21 V28 D32 V36G13-T17 PolarHBondContact O-OG1 3.43Å; G13-T17 VanDerWaalsContact O-OG1 3.1Å; C14-T17 PolarHBondContact O-N 3.39Å; C14-T17 VanDerWaalsContact O-N 3.17Å; F15-T17 VanDerWaalsContact C-N 3.32Å; F15-T17 PolarHBondContact O-N 3.16Å; T17-W19 VanDerWaalsContact C-N 3.3Å; T17-W19 PolarHBondContact O-N 2.96Å; T17-L20 PolarHBondContact O-N 3.36Å; T17-V21 WeakPolarHBondContact O-CG2 3.49Å; T17-V21 PolarHBondContact O-N 3.41Å; T17-V28 HydrophobicContact CG2-CG1 3.81Å; T17-D32 HydrophobicContact CG2-CB 4.29Å; T17-V36 HydrophobicContact CG2-CG2 4.06Å
18I91.6Very high78.9Confident0 Ų062.5 Ų62.50%031%0.308CS..Hα-helixtrans-57.4-45175.7-68.3163000110.7C14 F15 V21 A22 V36 L73 I77 V80C14-I18 WeakPolarHBondContact O-CG1 3.45Å; C14-I18 PolarHBondContact O-N 2.58Å; F15-I18 HydrophobicContact CD1-CD1 4.14Å; F15-I18 HydrophobicContact CE1-CD1 4.49Å; F15-I18 PolarHBondContact O-N 2.94Å; I18-V21 PolarHBondContact O-N 3.29Å; I18-A22 PolarHBondContact O-N 3.04Å; I18-V36 HydrophobicContact CD1-CG1 3.96Å; I18-V36 HydrophobicContact CG1-CG1 4.03Å; I18-V36 HydrophobicContact CG1-CG2 4.47Å; I18-L73 HydrophobicContact CB-CD2 4.11Å; I18-L73 HydrophobicContact CG2-CB 4.26Å; I18-L73 HydrophobicContact CG2-CD2 3.65Å; I18-L73 VanDerWaalsContact CG2-O 3.26Å; I18-L73 WeakPolarHBondContact CG2-O 3.38Å; I18-I77 HydrophobicContact CD1-CD1 4.23Å; I18-I77 HydrophobicContact CD1-CG1 3.78Å; I18-I77 HydrophobicContact CG1-CG1 4.17Å; I18-I77 HydrophobicContact CG2-CG1 3.91Å; I18-V80 HydrophobicContact CG1-CG2 4.47Å
19W89.6Confident79.7Confident49 Ų4963.6 Ų63.619%0.18632%0.318CS..Hα-helixtrans-65.9-44.7178.4178.980000112.6L8 F15 T17 V21 A22 T23 L73L8-W19 HydrophobicContact CD1-CD2 4.33Å; L8-W19 HydrophobicContact CD1-CG 4.2Å; L8-W19 HydrophobicContact CD2-CB 3.57Å; L8-W19 HydrophobicContact CD2-CD2 4.34Å; L8-W19 HydrophobicContact CD2-CG 3.69Å; F15-W19 VanDerWaalsContact O-CB 3.23Å; F15-W19 WeakPolarHBondContact O-CB 3.44Å; F15-W19 PolarHBondContact O-N 3.19Å; T17-W19 VanDerWaalsContact C-N 3.3Å; T17-W19 PolarHBondContact O-N 2.96Å; W19-V21 VanDerWaalsContact C-N 3.26Å; W19-V21 PolarHBondContact O-N 3.49Å; W19-A22 WeakPolarHBondContact O-CB 3.29Å; W19-A22 PolarHBondContact O-N 3.48Å; W19-A22 VanDerWaalsContact O-N 3.12Å; W19-T23 HydrophobicContact CD2-CG2 4.35Å; W19-T23 HydrophobicContact CZ2-CG2 4.17Å; W19-T23 PolarHBondContact O-N 3Å; W19-T23 PolarHBondContact O-OG1 3Å; W19-T23 VanDerWaalsContact O-OG1 3.08Å; W19-L73 HydrophobicContact CB-CD2 4.09Å
20L88.5Confident80.7Confident33 Ų3363.8 Ų63.817%0.17331%0.312CS..Hα-helixtrans-59.8-35.1175-76169.7000112.9S16 T17 K24 I26 V28S16-L20 WeakPolarHBondContact O-CB 3.42Å; S16-L20 VanDerWaalsContact O-CG 3.25Å; S16-L20 WeakPolarHBondContact O-CG 3.46Å; S16-L20 PolarHBondContact O-N 3.32Å; T17-L20 PolarHBondContact O-N 3.36Å; L20-K24 WeakPolarHBondContact O-CA 3.46Å; L20-K24 PolarHBondContact O-N 3.1Å; L20-K24 VanDerWaalsContact O-N 3.12Å; L20-I26 HydrophobicContact CD2-CB 4.44Å; L20-I26 HydrophobicContact CD2-CD1 4.23Å; L20-I26 HydrophobicContact CD2-CG1 4.24Å; L20-V28 HydrophobicContact CB-CG2 4.1Å
21V89.8Confident82Confident17 Ų1763 Ų6310%0.10331%0.309CS..Hα-helixtrans-70.2-40.9174.6173.90000111.2T17 I18 W19 V28 F33 L79 V80T17-V21 WeakPolarHBondContact O-CG2 3.49Å; T17-V21 PolarHBondContact O-N 3.41Å; I18-V21 PolarHBondContact O-N 3.29Å; W19-V21 VanDerWaalsContact C-N 3.26Å; W19-V21 PolarHBondContact O-N 3.49Å; V21-V28 HydrophobicContact CG2-CB 4.16Å; V21-V28 HydrophobicContact CG2-CG1 4.37Å; V21-V28 HydrophobicContact CG2-CG2 3.78Å; V21-F33 HydrophobicContact CG1-CE1 4.17Å; V21-F33 HydrophobicContact CG2-CE1 3.6Å; V21-F33 HydrophobicContact CG2-CZ 3.73Å; V21-L79 HydrophobicContact CG1-CB 3.45Å; V21-L79 VanDerWaalsContact CG1-CB 3.45Å; V21-L79 HydrophobicContact CG1-CD1 3.82Å; V21-L79 HydrophobicContact CG1-CG 4.32Å; V21-V80 HydrophobicContact CB-CG2 4.23Å; V21-V80 HydrophobicContact CG1-CG2 4.2Å; V21-V80 HydrophobicContact CG2-CG2 4Å
22A90.5Very high83.5Confident8 Ų853.5 Ų53.57%0.06628%0.276CS..Hα-helixtrans-64.3-48.8178.400000112.5I18 W19 K24 Q72 Y75I18-A22 PolarHBondContact O-N 3.04Å; W19-A22 WeakPolarHBondContact O-CB 3.29Å; W19-A22 PolarHBondContact O-N 3.48Å; W19-A22 VanDerWaalsContact O-N 3.12Å; A22-K24 VanDerWaalsContact C-N 3.32Å; A22-K24 PolarHBondContact O-N 3.43Å; A22-Q72 VanDerWaalsContact CB-O 3.27Å; A22-Q72 WeakPolarHBondContact CB-O 2.94Å; A22-Y75 HydrophobicContact CB-CD1 4.11Å
23T85.6Confident85.1Confident21 Ų2152.2 Ų52.213%0.12926%0.264CS..Hα-helixtrans-83-5.9-177.561.60000113.9W19 G25W19-T23 HydrophobicContact CD2-CG2 4.35Å; W19-T23 HydrophobicContact CZ2-CG2 4.17Å; W19-T23 PolarHBondContact O-N 3Å; W19-T23 PolarHBondContact O-OG1 3Å; W19-T23 VanDerWaalsContact O-OG1 3.08Å; T23-G25 PolarHBondContact O-N 2.91Å
24K77Confident86.1Confident115 Ų11556 Ų5650%0.528%0.28SS..  trans56.414.5-177.6-60.2-179.7175.5179.50115.5L20 A22 I26L20-K24 WeakPolarHBondContact O-CA 3.46Å; L20-K24 PolarHBondContact O-N 3.1Å; L20-K24 VanDerWaalsContact O-N 3.12Å; A22-K24 VanDerWaalsContact C-N 3.32Å; A22-K24 PolarHBondContact O-N 3.43Å; K24-I26 VanDerWaalsContact C-N 3.26Å; K24-I26 PolarHBondContact O-N 3.37Å; K24-I26 VanDerWaalsContact O-N 3.16Å
25G63.2Low86.5Confident55 Ų5561.5 Ų61.557%0.56730%0.3SS*.  trans-62.3-27.4-170.600000114.9T23T23-G25 PolarHBondContact O-N 2.91Å
26I74.6Confident86.7Confident96 Ų9661.3 Ų61.349%0.49230%0.3SS..SBendtrans-145.5145.4-179.9-54.3179.4000110.2L20 K24 V28L20-I26 HydrophobicContact CD2-CB 4.44Å; L20-I26 HydrophobicContact CD2-CD1 4.23Å; L20-I26 HydrophobicContact CD2-CG1 4.24Å; K24-I26 VanDerWaalsContact C-N 3.26Å; K24-I26 PolarHBondContact O-N 3.37Å; K24-I26 VanDerWaalsContact O-N 3.16Å; I26-V28 PolarHBondContact O-N 3.17Å; I26-V28 VanDerWaalsContact O-N 3.1Å
27K80.6Confident86.9Confident202 Ų20264.4 Ų64.488%0.87832%0.316SS*.  trans-65.7104.8170.6-175.2179.4-178178.70111
28V86.5Confident87.2Confident21 Ų2165.1 Ų65.113%0.12732%0.32CS..  trans-74.2133.2177.6176.60000111T17 L20 V21 I26 D32 F33T17-V28 HydrophobicContact CG2-CG1 3.81Å; L20-V28 HydrophobicContact CB-CG2 4.1Å; V21-V28 HydrophobicContact CG2-CB 4.16Å; V21-V28 HydrophobicContact CG2-CG1 4.37Å; V21-V28 HydrophobicContact CG2-CG2 3.78Å; I26-V28 PolarHBondContact O-N 3.17Å; I26-V28 VanDerWaalsContact O-N 3.1Å; V28-D32 HydrophobicContact CG1-CB 3.96Å; V28-F33 HydrophobicContact CB-CD2 4.34Å; V28-F33 HydrophobicContact CB-CE2 3.69Å; V28-F33 HydrophobicContact CB-CZ 4.02Å; V28-F33 HydrophobicContact CG1-CD2 3.82Å; V28-F33 HydrophobicContact CG1-CE2 3.68Å; V28-F33 HydrophobicContact CG1-CG 4.41Å; V28-F33 HydrophobicContact CG1-CZ 4.15Å; V28-F33 WeakPolarHBondContact O-CE2 3.43Å
29P88.9Confident87.3Confident64 Ų6472.5 Ų72.542%0.41635%0.352SS..  trans-79.5156.9-179.532.4-36000112.9R31 D32 F33P29-R31 VanDerWaalsContact C-N 3.27Å; P29-R31 PolarHBondContact O-N 3.21Å; P29-R31 VanDerWaalsContact O-N 3.16Å; P29-D32 HydrophobicContact CG-CB 4.07Å; P29-D32 WeakPolarHBondContact CG-OD2 3.44Å; P29-D32 PolarHBondContact O-N 3.39Å; P29-F33 PolarHBondContact O-N 3.24Å
30R90.4Very high87.5Confident92 Ų9278.2 Ų78.235%0.34737%0.373SS..Hα-helixtrans-49.1-43.5-178.7-172.2-175.8-175.497.9-3.9113.2D32 F33 L34 I87 E90 E91R30-D32 VanDerWaalsContact C-N 3.28Å; R30-D32 PolarHBondContact O-N 3.19Å; R30-F33 PolarHBondContact O-N 3.15Å; R30-L34 HydrophobicContact CG-CD1 4.22Å; R30-L34 WeakPolarHBondContact O-CG 3.47Å; R30-L34 PolarHBondContact O-N 3.32Å; R30-L34 VanDerWaalsContact O-N 3.08Å; R30-I87 HydrophobicContact CG-CD1 3.83Å; R30-I87 HydrophobicContact CG-CG1 4.13Å; R30-I87 PolarHBondContact NH2-O 2.92Å; R30-E90 IonicContact CZ-OE2 3.61Å; R30-E90 IonicContact NH1-OE2 3.86Å; R30-E90 PolarHBondContact NH1-OE2 2.96Å; R30-E90 IonicContact NH2-OE2 3.57Å; R30-E91 IonicContact CZ-OE1 3.99Å; R30-E91 IonicContact NE-OE1 3.81Å; R30-E91 VanDerWaalsContact NH2-CD 3.25Å; R30-E91 IonicContact NH2-OE1 2.74Å; R30-E91 PolarHBondContact NH2-OE1 3.01Å
31R90.9Very high87.7Confident181 Ų18176.8 Ų76.868%0.68337%0.366SS*.Hα-helixtrans-56.4-41.1178.6-176.5-170.166.5-162.7-5.2112.6P29 L34 K35P29-R31 VanDerWaalsContact C-N 3.27Å; P29-R31 PolarHBondContact O-N 3.21Å; P29-R31 VanDerWaalsContact O-N 3.16Å; R31-L34 PolarHBondContact O-N 2.96Å; R31-K35 PolarHBondContact O-N 3.36Å
32D89.6Confident87.9Confident37 Ų3778.5 Ų78.520%0.19838%0.379CS..Hα-helixtrans-81.2-28.8-171.6-60.7-6.3000110.5T17 V28 P29 R30 K35T17-D32 HydrophobicContact CG2-CB 4.29Å; V28-D32 HydrophobicContact CG1-CB 3.96Å; P29-D32 HydrophobicContact CG-CB 4.07Å; P29-D32 WeakPolarHBondContact CG-OD2 3.44Å; P29-D32 PolarHBondContact O-N 3.39Å; R30-D32 VanDerWaalsContact C-N 3.28Å; R30-D32 PolarHBondContact O-N 3.19Å; D32-K35 PolarHBondContact O-N 2.96Å
33F91.3Very high88Confident22 Ų2282.1 Ų82.110%0.09640%0.397CS..Hα-helixtrans-59.7-49162.4-76.6-77.3000111.7V21 V28 P29 R30 K35 V36 V80 R83 Q84 I87V21-F33 HydrophobicContact CG1-CE1 4.17Å; V21-F33 HydrophobicContact CG2-CE1 3.6Å; V21-F33 HydrophobicContact CG2-CZ 3.73Å; V28-F33 HydrophobicContact CB-CD2 4.34Å; V28-F33 HydrophobicContact CB-CE2 3.69Å; V28-F33 HydrophobicContact CB-CZ 4.02Å; V28-F33 HydrophobicContact CG1-CD2 3.82Å; V28-F33 HydrophobicContact CG1-CE2 3.68Å; V28-F33 HydrophobicContact CG1-CG 4.41Å; V28-F33 HydrophobicContact CG1-CZ 4.15Å; V28-F33 WeakPolarHBondContact O-CE2 3.43Å; P29-F33 PolarHBondContact O-N 3.24Å; R30-F33 PolarHBondContact O-N 3.15Å; F33-K35 VanDerWaalsContact C-N 3.25Å; F33-K35 PolarHBondContact O-N 3.12Å; F33-V36 PolarHBondContact O-N 3.39Å; F33-V80 HydrophobicContact CD1-CB 4.31Å; F33-V80 HydrophobicContact CD1-CG1 4.26Å; F33-V80 HydrophobicContact CD1-CG2 4.03Å; F33-V80 HydrophobicContact CE1-CG2 4.07Å; F33-R83 HydrophobicContact CD1-CB 3.74Å; F33-R83 HydrophobicContact CD1-CG 3.73Å; F33-R83 HydrophobicContact CD2-CG 3.97Å; F33-R83 HydrophobicContact CE1-CB 3.68Å; F33-R83 HydrophobicContact CE1-CG 3.71Å; F33-R83 HydrophobicContact CE2-CG 3.94Å; F33-R83 HydrophobicContact CG-CB 4.35Å; F33-R83 HydrophobicContact CG-CG 3.87Å; F33-R83 HydrophobicContact CZ-CB 4.24Å; F33-R83 HydrophobicContact CZ-CG 3.83Å; F33-Q84 PolarHBondContact O-NE2 3.11Å; F33-I87 HydrophobicContact CB-CD1 4.04Å
34L91.4Very high88.2Confident93 Ų9384 Ų8449%0.48741%0.406SS..Hα-helixtrans-66-24.6-179.3-72.8173.8000113.7R30 R31 I87R30-L34 HydrophobicContact CG-CD1 4.22Å; R30-L34 WeakPolarHBondContact O-CG 3.47Å; R30-L34 PolarHBondContact O-N 3.32Å; R30-L34 VanDerWaalsContact O-N 3.08Å; R31-L34 PolarHBondContact O-N 2.96Å; L34-I87 HydrophobicContact CD1-CG2 4.42Å; L34-I87 HydrophobicContact CD2-CG2 3.74Å; L34-I87 HydrophobicContact CG-CG2 4.25Å
35K91.8Very high88.9Confident153 Ų15378.8 Ų78.867%0.66538%0.384SS*.Hα-helixtrans-72.8-24.3177.3-171.3177.9176.8-174.80113.4R31 D32 F33 N37R31-K35 PolarHBondContact O-N 3.36Å; D32-K35 PolarHBondContact O-N 2.96Å; F33-K35 VanDerWaalsContact C-N 3.25Å; F33-K35 PolarHBondContact O-N 3.12Å; K35-N37 PolarHBondContact O-N 3.12Å
36V92.3Very high90.2Very high5 Ų580.5 Ų80.53%0.0338%0.378CS..  trans-78.8118.6-177.1175.40000110.8T17 I18 F33 V38 V80 Q84T17-V36 HydrophobicContact CG2-CG2 4.06Å; I18-V36 HydrophobicContact CD1-CG1 3.96Å; I18-V36 HydrophobicContact CG1-CG1 4.03Å; I18-V36 HydrophobicContact CG1-CG2 4.47Å; F33-V36 PolarHBondContact O-N 3.39Å; V36-V38 PolarHBondContact O-N 2.65Å; V36-V80 HydrophobicContact CB-CG1 3.9Å; V36-V80 HydrophobicContact CG1-CG1 3.89Å; V36-V80 HydrophobicContact CG2-CG1 4.48Å; V36-Q84 PolarHBondContact O-NE2 3.48Å
37N93.2Very high91Very high74 Ų7478.3 Ų78.340%0.39637%0.367SS..  trans-86.798.3172.1-172.8-59.8000109.9K35 K39 R40 S41K35-N37 PolarHBondContact O-N 3.12Å; N37-K39 VanDerWaalsContact C-N 3.33Å; N37-K39 PolarHBondContact O-N 2.96Å; N37-K39 PolarHBondContact OD1-N 3.02Å; N37-R40 HydrophobicContact CB-CB 4.15Å; N37-R40 HydrophobicContact CB-CG 4.36Å; N37-R40 PolarHBondContact O-N 3.44Å; N37-R40 WeakPolarHBondContact OD1-CG 3.34Å; N37-R40 PolarHBondContact OD1-N 3.42Å; N37-S41 PolarHBondContact O-N 3.14Å; N37-S41 PolarHBondContact O-OG 3.47Å
38V93.9Very high91.3Very high29 Ų2970.5 Ų70.518%0.17633%0.332CS..Hα-helixtrans-49.7-49.5-176.21700000112.5V36 S41 C42 I77 V80 Y81V36-V38 PolarHBondContact O-N 2.65Å; V38-S41 PolarHBondContact O-N 3.43Å; V38-C42 PolarHBondContact O-N 2.96Å; V38-C42 PolarHBondContact O-SG 3.05Å; V38-I77 HydrophobicContact CG1-CG2 3.93Å; V38-V80 HydrophobicContact CG2-CG1 4.42Å; V38-Y81 HydrophobicContact CG1-CD2 4.29Å; V38-Y81 HydrophobicContact CG2-CD2 4.27Å
39K94.3Very high91.4Very high155 Ų15572.4 Ų72.467%0.67434%0.342SS*.Hα-helixtrans-60.9-51.9-178.9-179.3175.4178.1177.40112N37 S41 C42 D43N37-K39 VanDerWaalsContact C-N 3.33Å; N37-K39 PolarHBondContact O-N 2.96Å; N37-K39 PolarHBondContact OD1-N 3.02Å; K39-S41 VanDerWaalsContact C-N 3.32Å; K39-S41 PolarHBondContact O-N 2.97Å; K39-C42 WeakPolarHBondContact O-CB 3.4Å; K39-C42 PolarHBondContact O-N 3.01Å; K39-D43 PolarHBondContact O-N 3.43Å
40R93.6Very high91.4Very high169 Ų16973.7 Ų73.764%0.63834%0.344SS*.Hα-helixtrans-60.4-42.7178.6-69.6179.3-176.7171.61.2111.3N37 C42 D43 D44N37-R40 HydrophobicContact CB-CB 4.15Å; N37-R40 HydrophobicContact CB-CG 4.36Å; N37-R40 PolarHBondContact O-N 3.44Å; N37-R40 WeakPolarHBondContact OD1-CG 3.34Å; N37-R40 PolarHBondContact OD1-N 3.42Å; R40-C42 VanDerWaalsContact C-N 3.32Å; R40-C42 PolarHBondContact O-N 3.43Å; R40-D43 PolarHBondContact O-N 3.12Å; R40-D44 WeakPolarHBondContact O-CB 3.41Å; R40-D44 PolarHBondContact O-N 3.26Å
41S92.3Very high91.2Very high4 Ų472.9 Ų72.93%0.02835%0.345CS..Hα-helixtrans-64.2-33.5177.4-63.20000113.2N37 V38 K39 I45N37-S41 PolarHBondContact O-N 3.14Å; N37-S41 PolarHBondContact O-OG 3.47Å; V38-S41 PolarHBondContact O-N 3.43Å; K39-S41 VanDerWaalsContact C-N 3.32Å; K39-S41 PolarHBondContact O-N 2.97Å; S41-I45 VanDerWaalsContact O-CG1 3.28Å; S41-I45 WeakPolarHBondContact O-CG1 3.48Å; S41-I45 PolarHBondContact O-N 3.06Å
42C93.2Very high91Very high53 Ų5372 Ų7236%0.35834%0.342SS..Hα-helixtrans-64.7-49.2169.3-68.90000111.9V38 K39 R40 D44 I45 M46V38-C42 PolarHBondContact O-N 2.96Å; V38-C42 PolarHBondContact O-SG 3.05Å; K39-C42 WeakPolarHBondContact O-CB 3.4Å; K39-C42 PolarHBondContact O-N 3.01Å; R40-C42 VanDerWaalsContact C-N 3.32Å; R40-C42 PolarHBondContact O-N 3.43Å; C42-D44 VanDerWaalsContact C-N 3.3Å; C42-D44 PolarHBondContact O-N 2.86Å; C42-I45 PolarHBondContact O-N 3.42Å; C42-M46 WeakPolarHBondContact O-CG 3.47Å; C42-M46 PolarHBondContact O-N 2.86Å
43D93.8Very high90.8Very high83 Ų8372 Ų7244%0.44434%0.342SS..Hα-helixtrans-58.4-43.3178.1-65.8-34.8000110.9K39 R40 M46 N47K39-D43 PolarHBondContact O-N 3.43Å; R40-D43 PolarHBondContact O-N 3.12Å; D43-M46 PolarHBondContact O-N 2.97Å; D43-N47 PolarHBondContact O-N 3.38Å; D43-N47 PolarHBondContact O-ND2 3.37Å
44D90.4Very high90.4Very high62 Ų6274.3 Ų74.333%0.33237%0.366SS..Hα-helixtrans-63.9-45.9177.5-67.7-31.6000111.7F15 R40 C42 M46 N47 Y48F15-D44 HydrophobicContact CE2-CB 4.21Å; F15-D44 HydrophobicContact CZ-CB 3.63Å; R40-D44 WeakPolarHBondContact O-CB 3.41Å; R40-D44 PolarHBondContact O-N 3.26Å; C42-D44 VanDerWaalsContact C-N 3.3Å; C42-D44 PolarHBondContact O-N 2.86Å; D44-M46 VanDerWaalsContact C-N 3.3Å; D44-M46 PolarHBondContact O-N 2.89Å; D44-N47 WeakPolarHBondContact O-CB 3.33Å; D44-N47 PolarHBondContact O-N 3.36Å; D44-N47 VanDerWaalsContact O-N 3.09Å; D44-Y48 WeakPolarHBondContact O-CD2 3.33Å; D44-Y48 PolarHBondContact O-N 2.89Å
45I90.2Very high90Very high5 Ų571.8 Ų71.83%0.02636%0.355CS..Hα-helixtrans-57.3-45.1173.9-71.2170.1000110.9F15 S41 C42 N47 Y48 L49 F65 L73 I77F15-I45 HydrophobicContact CE1-CD1 4.26Å; F15-I45 HydrophobicContact CE1-CG1 3.68Å; F15-I45 HydrophobicContact CZ-CG1 4.25Å; S41-I45 VanDerWaalsContact O-CG1 3.28Å; S41-I45 WeakPolarHBondContact O-CG1 3.48Å; S41-I45 PolarHBondContact O-N 3.06Å; C42-I45 PolarHBondContact O-N 3.42Å; I45-N47 VanDerWaalsContact C-N 3.27Å; I45-N47 PolarHBondContact O-N 3.02Å; I45-Y48 PolarHBondContact O-N 2.85Å; I45-L49 HydrophobicContact CG2-CD1 3.84Å; I45-L49 HydrophobicContact CG2-CG 4.31Å; I45-L49 WeakPolarHBondContact O-CB 3.49Å; I45-L49 WeakPolarHBondContact O-CG 3.48Å; I45-L49 PolarHBondContact O-N 2.9Å; I45-F65 HydrophobicContact CB-CE2 4.43Å; I45-F65 HydrophobicContact CG1-CE2 4.03Å; I45-F65 HydrophobicContact CG2-CD2 4.47Å; I45-L73 HydrophobicContact CD1-CB 3.71Å; I45-L73 HydrophobicContact CG1-CB 4.42Å; I45-I77 HydrophobicContact CD1-CD1 3.41Å; I45-I77 VanDerWaalsContact CD1-CD1 3.41Å; I45-I77 HydrophobicContact CD1-CG1 4.39Å
46M90.4Very high89.4Confident90 Ų9068.1 Ų68.144%0.44335%0.347SS..Hα-helixtrans-63.7-34.3177.6-68.7-56.6-61.300111.9C42 D43 D44 L49 L50C42-M46 WeakPolarHBondContact O-CG 3.47Å; C42-M46 PolarHBondContact O-N 2.86Å; D43-M46 PolarHBondContact O-N 2.97Å; D44-M46 VanDerWaalsContact C-N 3.3Å; D44-M46 PolarHBondContact O-N 2.89Å; M46-L49 PolarHBondContact O-N 3.13Å; M46-L49 HydrophobicContact SD-CD1 4.18Å; M46-L50 HydrophobicContact CE-CD1 4.23Å; M46-L50 VanDerWaalsContact O-CB 3.28Å; M46-L50 WeakPolarHBondContact O-CB 3.44Å; M46-L50 VanDerWaalsContact O-CG 3.24Å; M46-L50 WeakPolarHBondContact O-CG 3.32Å; M46-L50 PolarHBondContact O-N 3.21Å
47N91.2Very high88.8Confident50 Ų5074 Ų7427%0.26737%0.374SS..Hα-helixtrans-67.9-37.4174.5-70-37.7000112.8D43 D44 I45 E51 R52 V53D43-N47 PolarHBondContact O-N 3.38Å; D43-N47 PolarHBondContact O-ND2 3.37Å; D44-N47 WeakPolarHBondContact O-CB 3.33Å; D44-N47 PolarHBondContact O-N 3.36Å; D44-N47 VanDerWaalsContact O-N 3.09Å; I45-N47 VanDerWaalsContact C-N 3.27Å; I45-N47 PolarHBondContact O-N 3.02Å; N47-E51 PolarHBondContact O-N 3.27Å; N47-R52 HydrophobicContact CB-CB 4.2Å; N47-R52 PolarHBondContact O-N 2.69Å; N47-R52 WeakPolarHBondContact OD1-CD 3.32Å; N47-V53 HydrophobicContact CB-CG2 4.02Å
48Y88.1Confident88.1Confident38 Ų3876.9 Ų76.915%0.14940%0.396CS..Hα-helixtrans-72.4-31.9173.2-77.5-76.1000113.2V7 F15 D44 I45 V53 P63 R64 F65V7-Y48 HydrophobicContact CG2-CE1 4.12Å; V7-Y48 HydrophobicContact CG2-CE2 4.4Å; V7-Y48 WeakPolarHBondContact CG2-OH 3.27Å; F15-Y48 HydrophobicContact CE2-CE2 4.05Å; F15-Y48 HydrophobicContact CZ-CE2 4.47Å; D44-Y48 WeakPolarHBondContact O-CD2 3.33Å; D44-Y48 PolarHBondContact O-N 2.89Å; I45-Y48 PolarHBondContact O-N 2.85Å; Y48-V53 HydrophobicContact CD1-CB 4.18Å; Y48-V53 HydrophobicContact CD1-CG1 4.46Å; Y48-V53 HydrophobicContact CD1-CG2 3.76Å; Y48-V53 HydrophobicContact CD2-CG2 4.12Å; Y48-V53 HydrophobicContact CE1-CB 4.06Å; Y48-V53 HydrophobicContact CE1-CG1 3.85Å; Y48-V53 HydrophobicContact CE1-CG2 3.82Å; Y48-V53 HydrophobicContact CE2-CG2 4.15Å; Y48-V53 HydrophobicContact CG-CG2 3.91Å; Y48-P63 HydrophobicContact CD1-CB 4.34Å; Y48-P63 HydrophobicContact CD1-CG 4.47Å; Y48-P63 HydrophobicContact CE1-CB 4.07Å; Y48-P63 HydrophobicContact CE1-CG 4.06Å; Y48-R64 WeakPolarHBondContact O-CA 3.43Å; Y48-F65 HydrophobicContact CD1-CD1 4.3Å; Y48-F65 AromaticContact CD1-CE1 3.86Å; Y48-F65 HydrophobicContact CD1-CE1 3.86Å; Y48-F65 HydrophobicContact CD1-CZ 4.09Å; Y48-F65 HydrophobicContact CD2-CD2 4.5Å; Y48-F65 AromaticContact CD2-CE1 3.9Å; Y48-F65 HydrophobicContact CD2-CE1 3.9Å; Y48-F65 AromaticContact CD2-CE2 3.62Å; Y48-F65 HydrophobicContact CD2-CE2 3.62Å; Y48-F65 AromaticContact CD2-CZ 3.26Å; Y48-F65 HydrophobicContact CD2-CZ 3.26Å; Y48-F65 HydrophobicContact CE1-CE1 4.29Å; Y48-F65 HydrophobicContact CE2-CE1 4.37Å; Y48-F65 AromaticContact CE2-CZ 3.83Å; Y48-F65 HydrophobicContact CE2-CZ 3.83Å; Y48-F65 HydrophobicContact CG-CD1 4.14Å; Y48-F65 HydrophobicContact CG-CD2 4.2Å; Y48-F65 AromaticContact CG-CE1 3.65Å; Y48-F65 HydrophobicContact CG-CE1 3.65Å; Y48-F65 AromaticContact CG-CE2 3.73Å; Y48-F65 HydrophobicContact CG-CE2 3.73Å; Y48-F65 HydrophobicContact CG-CG 4.39Å; Y48-F65 AromaticContact CG-CZ 3.43Å; Y48-F65 HydrophobicContact CG-CZ 3.43Å; Y48-F65 VanDerWaalsContact CG-CZ 3.43Å
49L88.1Confident87.3Confident62 Ų6279.5 Ų79.533%0.32543%0.43SS..Hα-helixtrans-72.9-36.3175.1-78.3173.6000112.9I45 M46 E51I45-L49 HydrophobicContact CG2-CD1 3.84Å; I45-L49 HydrophobicContact CG2-CG 4.31Å; I45-L49 WeakPolarHBondContact O-CB 3.49Å; I45-L49 WeakPolarHBondContact O-CG 3.48Å; I45-L49 PolarHBondContact O-N 2.9Å; M46-L49 PolarHBondContact O-N 3.13Å; M46-L49 HydrophobicContact SD-CD1 4.18Å; L49-E51 VanDerWaalsContact C-N 3.29Å; L49-E51 PolarHBondContact O-N 3.24Å
50L88.8Confident86.6Confident90 Ų9076.1 Ų76.147%0.47142%0.419SS..THydrogen-bonded Turntrans-90.914.6-179.7-61.9173.4000113.1M46 R52M46-L50 HydrophobicContact CE-CD1 4.23Å; M46-L50 VanDerWaalsContact O-CB 3.28Å; M46-L50 WeakPolarHBondContact O-CB 3.44Å; M46-L50 VanDerWaalsContact O-CG 3.24Å; M46-L50 WeakPolarHBondContact O-CG 3.32Å; M46-L50 PolarHBondContact O-N 3.21Å; L50-R52 HydrophobicContact CB-CG 3.89Å; L50-R52 PolarHBondContact O-N 3.42Å
51E85.8Confident86Confident76 Ų7673.3 Ų73.336%0.35542%0.422SS..THydrogen-bonded Turntrans48.533.4-178.1-56.9-169.4170.500113.6N47 L49 R62 R64N47-E51 PolarHBondContact O-N 3.27Å; L49-E51 VanDerWaalsContact C-N 3.29Å; L49-E51 PolarHBondContact O-N 3.24Å; E51-R62 WeakPolarHBondContact O-CD 3.34Å; E51-R62 PolarHBondContact O-NH1 3.44Å; E51-R64 HydrophobicContact CG-CB 4.2Å; E51-R64 WeakPolarHBondContact OE1-CD 3.27Å; E51-R64 IonicContact OE1-CZ 3.91Å; E51-R64 IonicContact OE1-NE 3.95Å; E51-R64 IonicContact OE1-NH1 3.01Å; E51-R64 PolarHBondContact OE1-NH1 3.46Å
52R87.1Confident85.6Confident163 Ų16379.9 Ų79.962%0.61545%0.446SS*.  trans-82.4-17.8-179.1-66.3177.9175.7-178.3-2.4113.1N47 L50N47-R52 HydrophobicContact CB-CB 4.2Å; N47-R52 PolarHBondContact O-N 2.69Å; N47-R52 WeakPolarHBondContact OD1-CD 3.32Å; L50-R52 HydrophobicContact CB-CG 3.89Å; L50-R52 PolarHBondContact O-N 3.42Å
53V85.3Confident85.1Confident35 Ų3577.8 Ų77.821%0.21243%0.432CS..SBendtrans-73.9132.5178.5-175.90000109.9N47 Y48 P63N47-V53 HydrophobicContact CB-CG2 4.02Å; Y48-V53 HydrophobicContact CD1-CB 4.18Å; Y48-V53 HydrophobicContact CD1-CG1 4.46Å; Y48-V53 HydrophobicContact CD1-CG2 3.76Å; Y48-V53 HydrophobicContact CD2-CG2 4.12Å; Y48-V53 HydrophobicContact CE1-CB 4.06Å; Y48-V53 HydrophobicContact CE1-CG1 3.85Å; Y48-V53 HydrophobicContact CE1-CG2 3.82Å; Y48-V53 HydrophobicContact CE2-CG2 4.15Å; Y48-V53 HydrophobicContact CG-CG2 3.91Å; V53-P63 HydrophobicContact CB-CG 4.01Å; V53-P63 HydrophobicContact CG1-CG 3.66Å
54A82.4Confident84.8Confident71 Ų7179.2 Ų79.259%0.58743%0.431SS*.PPolyproline II helixtrans-67.4148.2177.500000111.3
55P83.2Confident84.6Confident41 Ų4176.9 Ų76.927%0.26642%0.418SS..PPolyproline II helixtrans-65.8144.6173.930.3-34.4000110.4Q57 L60P55-Q57 PolarHBondContact O-N 2.97Å; P55-Q57 VanDerWaalsContact O-N 3.15Å; P55-L60 HydrophobicContact CB-CB 4.24Å; P55-L60 WeakPolarHBondContact CB-O 3.43Å
56P79.6Confident84.5Confident75 Ų7577.9 Ų77.949%0.48743%0.426SS..SBendtrans-60.2-25.9-178.4-25.634.7000114.4Y4Y4-P56 HydrophobicContact CE2-CG 3.99Å; Y4-P56 WeakPolarHBondContact OH-CG 3.43Å
57Q79.9Confident84.3Confident129 Ų12980.8 Ų80.860%0.60344%0.442SS*.SBendtrans-138.2151.4174.3-59-1790.700109.8P55 G59 L60P55-Q57 PolarHBondContact O-N 2.97Å; P55-Q57 VanDerWaalsContact O-N 3.15Å; Q57-G59 PolarHBondContact O-N 3.17Å; Q57-L60 HydrophobicContact CB-CD1 3.84Å; Q57-L60 HydrophobicContact CB-CG 4.24Å; Q57-L60 HydrophobicContact CG-CD1 4.15Å; Q57-L60 PolarHBondContact O-N 3.23Å
58P78.6Confident84.2Confident134 Ų13482.6 Ų82.687%0.8745%0.446SS*.THydrogen-bonded Turntrans-58.1129.4174-21.333.1000111.3
59G76.8Confident84.2Confident85 Ų8581.2 Ų81.288%0.87644%0.441SS*.THydrogen-bonded Turntrans93.8-14.4179.300000115.5Q57Q57-G59 PolarHBondContact O-N 3.17Å
60L79.6Confident84.3Confident84 Ų8478.5 Ų78.544%0.4443%0.427SS..SBendtrans-75152.3170.7-70.6179.3000111.6P55 Q57P55-L60 HydrophobicContact CB-CB 4.24Å; P55-L60 WeakPolarHBondContact CB-O 3.43Å; Q57-L60 HydrophobicContact CB-CD1 3.84Å; Q57-L60 HydrophobicContact CB-CG 4.24Å; Q57-L60 HydrophobicContact CG-CD1 4.15Å; Q57-L60 PolarHBondContact O-N 3.23Å
61P80.9Confident84.4Confident110 Ų11076.9 Ų76.971%0.71442%0.423SS*.PPolyproline II helixtrans-61.8150.5172.227.2-35.1000111.1
62R84Confident84.7Confident142 Ų14274.6 Ų74.654%0.53641%0.413SS..PPolyproline II helixtrans-64.6135.7176.5-65.5-169.6178-152.3-2.4110.3E51 R64E51-R62 WeakPolarHBondContact O-CD 3.34Å; E51-R62 PolarHBondContact O-NH1 3.44Å; R62-R64 PolarHBondContact O-N 2.87Å
63P83.4Confident84.9Confident9 Ų966.9 Ų66.96%0.05838%0.383CS..PPolyproline II helixtrans-69.7130.1176.729.6-34.3000109.4Y4 Y48 V53Y4-P63 HydrophobicContact CD1-CB 4.08Å; Y4-P63 HydrophobicContact CD2-CB 4.07Å; Y4-P63 HydrophobicContact CE1-CB 4.49Å; Y4-P63 HydrophobicContact CE2-CB 4.5Å; Y4-P63 HydrophobicContact CG-CB 3.86Å; Y48-P63 HydrophobicContact CD1-CB 4.34Å; Y48-P63 HydrophobicContact CD1-CG 4.47Å; Y48-P63 HydrophobicContact CE1-CB 4.07Å; Y48-P63 HydrophobicContact CE1-CG 4.06Å; V53-P63 HydrophobicContact CB-CG 4.01Å; V53-P63 HydrophobicContact CG1-CG 3.66Å
64R86.6Confident85.2Confident113 Ų11369.4 Ų69.443%0.42639%0.393SS..  trans-133.1154.3176.569.6-171.4-174.5-179.10.6110.4Y48 E51 R62Y48-R64 WeakPolarHBondContact O-CA 3.43Å; E51-R64 HydrophobicContact CG-CB 4.2Å; E51-R64 WeakPolarHBondContact OE1-CD 3.27Å; E51-R64 IonicContact OE1-CZ 3.91Å; E51-R64 IonicContact OE1-NE 3.95Å; E51-R64 IonicContact OE1-NH1 3.01Å; E51-R64 PolarHBondContact OE1-NH1 3.46Å; R62-R64 PolarHBondContact O-N 2.87Å
65F86.7Confident85.7Confident12 Ų1269.3 Ų69.35%0.05338%0.378CS..  trans-84.8142.7170.4-64.8-23.9000110.7V7 F15 I45 Y48 L69 L73V7-F65 HydrophobicContact CB-CE1 4.19Å; V7-F65 HydrophobicContact CG1-CE1 3.71Å; V7-F65 HydrophobicContact CG1-CZ 3.81Å; V7-F65 HydrophobicContact CG2-CE1 4.23Å; F15-F65 HydrophobicContact CE2-CZ 4.46Å; F15-F65 HydrophobicContact CZ-CZ 4.36Å; I45-F65 HydrophobicContact CB-CE2 4.43Å; I45-F65 HydrophobicContact CG1-CE2 4.03Å; I45-F65 HydrophobicContact CG2-CD2 4.47Å; Y48-F65 HydrophobicContact CD1-CD1 4.3Å; Y48-F65 AromaticContact CD1-CE1 3.86Å; Y48-F65 HydrophobicContact CD1-CE1 3.86Å; Y48-F65 HydrophobicContact CD1-CZ 4.09Å; Y48-F65 HydrophobicContact CD2-CD2 4.5Å; Y48-F65 AromaticContact CD2-CE1 3.9Å; Y48-F65 HydrophobicContact CD2-CE1 3.9Å; Y48-F65 AromaticContact CD2-CE2 3.62Å; Y48-F65 HydrophobicContact CD2-CE2 3.62Å; Y48-F65 AromaticContact CD2-CZ 3.26Å; Y48-F65 HydrophobicContact CD2-CZ 3.26Å; Y48-F65 HydrophobicContact CE1-CE1 4.29Å; Y48-F65 HydrophobicContact CE2-CE1 4.37Å; Y48-F65 AromaticContact CE2-CZ 3.83Å; Y48-F65 HydrophobicContact CE2-CZ 3.83Å; Y48-F65 HydrophobicContact CG-CD1 4.14Å; Y48-F65 HydrophobicContact CG-CD2 4.2Å; Y48-F65 AromaticContact CG-CE1 3.65Å; Y48-F65 HydrophobicContact CG-CE1 3.65Å; Y48-F65 AromaticContact CG-CE2 3.73Å; Y48-F65 HydrophobicContact CG-CE2 3.73Å; Y48-F65 HydrophobicContact CG-CG 4.39Å; Y48-F65 AromaticContact CG-CZ 3.43Å; Y48-F65 HydrophobicContact CG-CZ 3.43Å; Y48-F65 VanDerWaalsContact CG-CZ 3.43Å; F65-L69 HydrophobicContact CB-CB 4.49Å; F65-L69 HydrophobicContact CB-CD2 4.41Å; F65-L69 HydrophobicContact CB-CG 4.49Å; F65-L69 HydrophobicContact CD1-CD2 3.67Å; F65-L69 HydrophobicContact CD1-CG 4.36Å; F65-L69 HydrophobicContact CE1-CD2 4.21Å; F65-L69 HydrophobicContact CG-CD2 4.15Å; F65-L69 HydrophobicContact CG-CG 4.38Å; F65-L73 HydrophobicContact CD2-CD1 4.13Å; F65-L73 HydrophobicContact CE2-CD1 3.74Å; F65-L73 HydrophobicContact CZ-CD1 4.02Å
66S87.2Confident86.2Confident26 Ų2667.3 Ų67.318%0.18237%0.365CS..  trans-66.8154162.664.90000109.3Y68 L69 S70S66-Y68 PolarHBondContact O-N 2.99Å; S66-L69 PolarHBondContact O-N 3.49Å; S66-L69 VanDerWaalsContact O-N 3.08Å; S66-L69 VanDerWaalsContact OG-CB 3.31Å; S66-L69 WeakPolarHBondContact OG-CB 3.33Å; S66-L69 PolarHBondContact OG-N 3.26Å; S66-L69 VanDerWaalsContact OG-N 3.16Å; S66-S70 PolarHBondContact O-N 3.34Å
67L86.9Confident86.9Confident151 Ų15164.2 Ų64.279%0.79134%0.344SS*.Hα-helixtrans-53.2-45.8177.1-175.864.8000111.2S70 S71L67-S70 PolarHBondContact O-N 2.9Å; L67-S70 PolarHBondContact O-OG 3.15Å; L67-S71 PolarHBondContact O-N 3.22Å; L67-S71 PolarHBondContact O-OG 3.42Å
68Y88.6Confident87.6Confident89 Ų8963.4 Ų63.435%0.34934%0.343SS..Hα-helixtrans-57.4-47.6175175.8-91.5000113.3S66 S70 S71 Q72 L234S66-Y68 PolarHBondContact O-N 2.99Å; Y68-S70 VanDerWaalsContact C-N 3.31Å; Y68-S70 PolarHBondContact O-N 3.24Å; Y68-S71 PolarHBondContact O-N 2.91Å; Y68-S71 PolarHBondContact O-OG 3.06Å; Y68-Q72 HydrophobicContact CD1-CG 4.36Å; Y68-Q72 HydrophobicContact CE1-CG 3.96Å; Y68-Q72 HydrophobicContact CE2-CG 4.18Å; Y68-Q72 WeakPolarHBondContact O-CB 3.37Å; Y68-Q72 VanDerWaalsContact O-CG 3.29Å; Y68-Q72 WeakPolarHBondContact O-CG 3.34Å; Y68-Q72 PolarHBondContact O-N 3.01Å; Y68-L234 HydrophobicContact CE1-CD2 3.88Å; Y68-L234 WeakPolarHBondContact OH-CD2 3.34Å
69L88Confident88.3Confident9 Ų958.3 Ų58.35%0.04731%0.308CS..Hα-helixtrans-64.4-40.4178.417957.6000110.8L8 F65 S66 L73L8-L69 HydrophobicContact CD1-CD1 3.85Å; L8-L69 HydrophobicContact CD2-CD1 4.14Å; L8-L69 HydrophobicContact CG-CD1 4.26Å; F65-L69 HydrophobicContact CB-CB 4.49Å; F65-L69 HydrophobicContact CB-CD2 4.41Å; F65-L69 HydrophobicContact CB-CG 4.49Å; F65-L69 HydrophobicContact CD1-CD2 3.67Å; F65-L69 HydrophobicContact CD1-CG 4.36Å; F65-L69 HydrophobicContact CE1-CD2 4.21Å; F65-L69 HydrophobicContact CG-CD2 4.15Å; F65-L69 HydrophobicContact CG-CG 4.38Å; S66-L69 PolarHBondContact O-N 3.49Å; S66-L69 VanDerWaalsContact O-N 3.08Å; S66-L69 VanDerWaalsContact OG-CB 3.31Å; S66-L69 WeakPolarHBondContact OG-CB 3.33Å; S66-L69 PolarHBondContact OG-N 3.26Å; S66-L69 VanDerWaalsContact OG-N 3.16Å; L69-L73 HydrophobicContact CD1-CD1 3.96Å; L69-L73 HydrophobicContact CD1-CG 3.98Å; L69-L73 HydrophobicContact CG-CD1 3.96Å; L69-L73 HydrophobicContact CG-CG 4.39Å; L69-L73 WeakPolarHBondContact O-CB 3.38Å; L69-L73 VanDerWaalsContact O-CG 3.25Å; L69-L73 WeakPolarHBondContact O-CG 3.42Å; L69-L73 PolarHBondContact O-N 3.47Å
70S90.6Very high89.1Confident4 Ų454.2 Ų54.23%0.02827%0.266CS..Hα-helixtrans-65.7-40.4179.274.10000112.9S66 L67 Y68 L73 Q74S66-S70 PolarHBondContact O-N 3.34Å; L67-S70 PolarHBondContact O-N 2.9Å; L67-S70 PolarHBondContact O-OG 3.15Å; Y68-S70 VanDerWaalsContact C-N 3.31Å; Y68-S70 PolarHBondContact O-N 3.24Å; S70-L73 PolarHBondContact O-N 3.34Å; S70-Q74 WeakPolarHBondContact O-CB 3.49Å; S70-Q74 WeakPolarHBondContact O-CG 3.43Å; S70-Q74 PolarHBondContact O-N 3.43Å
71S91.3Very high89.9Confident56 Ų5656.5 Ų56.539%0.39227%0.27SS..Hα-helixtrans-70-40.2177.961.40000111.9L67 Y68 Q74 Y75L67-S71 PolarHBondContact O-N 3.22Å; L67-S71 PolarHBondContact O-OG 3.42Å; Y68-S71 PolarHBondContact O-N 2.91Å; Y68-S71 PolarHBondContact O-OG 3.06Å; S71-Q74 PolarHBondContact O-N 2.96Å; S71-Y75 WeakPolarHBondContact O-CB 3.29Å; S71-Y75 PolarHBondContact O-N 3.48Å
72Q91.3Very high90.5Very high29 Ų2955.9 Ų55.914%0.13626%0.257CS..Hα-helixtrans-61.7-43.7172.9-71.6-66.9-7.500112A22 Y68 Y75 G76A22-Q72 VanDerWaalsContact CB-O 3.27Å; A22-Q72 WeakPolarHBondContact CB-O 2.94Å; Y68-Q72 HydrophobicContact CD1-CG 4.36Å; Y68-Q72 HydrophobicContact CE1-CG 3.96Å; Y68-Q72 HydrophobicContact CE2-CG 4.18Å; Y68-Q72 WeakPolarHBondContact O-CB 3.37Å; Y68-Q72 VanDerWaalsContact O-CG 3.29Å; Y68-Q72 WeakPolarHBondContact O-CG 3.34Å; Y68-Q72 PolarHBondContact O-N 3.01Å; Q72-Y75 PolarHBondContact O-N 3.16Å; Q72-G76 PolarHBondContact O-N 2.99Å
73L92.1Very high90.9Very high0 Ų054 Ų540%025%0.25CS..Hα-helixtrans-68.3-38.5177.3-70.1176000112.4L8 F15 I18 W19 I45 F65 L69 S70 G76 I77L8-L73 HydrophobicContact CD2-CD2 4.46Å; F15-L73 HydrophobicContact CB-CD2 4.48Å; F15-L73 HydrophobicContact CD1-CD1 3.91Å; F15-L73 HydrophobicContact CD1-CD2 4.11Å; F15-L73 HydrophobicContact CE1-CD1 4.36Å; I18-L73 HydrophobicContact CB-CD2 4.11Å; I18-L73 HydrophobicContact CG2-CB 4.26Å; I18-L73 HydrophobicContact CG2-CD2 3.65Å; I18-L73 VanDerWaalsContact CG2-O 3.26Å; I18-L73 WeakPolarHBondContact CG2-O 3.38Å; W19-L73 HydrophobicContact CB-CD2 4.09Å; I45-L73 HydrophobicContact CD1-CB 3.71Å; I45-L73 HydrophobicContact CG1-CB 4.42Å; F65-L73 HydrophobicContact CD2-CD1 4.13Å; F65-L73 HydrophobicContact CE2-CD1 3.74Å; F65-L73 HydrophobicContact CZ-CD1 4.02Å; L69-L73 HydrophobicContact CD1-CD1 3.96Å; L69-L73 HydrophobicContact CD1-CG 3.98Å; L69-L73 HydrophobicContact CG-CD1 3.96Å; L69-L73 HydrophobicContact CG-CG 4.39Å; L69-L73 WeakPolarHBondContact O-CB 3.38Å; L69-L73 VanDerWaalsContact O-CG 3.25Å; L69-L73 WeakPolarHBondContact O-CG 3.42Å; L69-L73 PolarHBondContact O-N 3.47Å; S70-L73 PolarHBondContact O-N 3.34Å; L73-G76 PolarHBondContact O-N 2.91Å; L73-I77 WeakPolarHBondContact O-CG1 3.46Å; L73-I77 PolarHBondContact O-N 3.44Å
74Q91.9Very high91.4Very high88 Ų8855.5 Ų55.541%0.41126%0.257SS..Hα-helixtrans-61.8-46.8173.9-75.5169.3800111.6S70 S71 I77 I78S70-Q74 WeakPolarHBondContact O-CB 3.49Å; S70-Q74 WeakPolarHBondContact O-CG 3.43Å; S70-Q74 PolarHBondContact O-N 3.43Å; S71-Q74 PolarHBondContact O-N 2.96Å; Q74-I77 PolarHBondContact O-N 3.42Å; Q74-I78 PolarHBondContact O-N 3.35Å
75Y93.1Very high91.8Very high69 Ų6952.7 Ų52.727%0.27125%0.253SS..Hα-helixtrans-60.6-46.2174.3174-116.9000111.8A22 S71 Q72 I77 I78 L79A22-Y75 HydrophobicContact CB-CD1 4.11Å; S71-Y75 WeakPolarHBondContact O-CB 3.29Å; S71-Y75 PolarHBondContact O-N 3.48Å; Q72-Y75 PolarHBondContact O-N 3.16Å; Y75-I77 VanDerWaalsContact C-N 3.31Å; Y75-I77 PolarHBondContact O-N 2.91Å; Y75-I78 PolarHBondContact O-N 2.99Å; Y75-I78 VanDerWaalsContact O-N 3.14Å; Y75-L79 HydrophobicContact CD1-CD1 4.18Å; Y75-L79 HydrophobicContact CE1-CD1 3.6Å; Y75-L79 HydrophobicContact CE1-CG 4.33Å; Y75-L79 HydrophobicContact CE2-CD1 4.25Å; Y75-L79 HydrophobicContact CE2-CD2 4.16Å; Y75-L79 HydrophobicContact CE2-CG 4.15Å; Y75-L79 PolarHBondContact O-N 3.19Å; Y75-L79 VanDerWaalsContact O-N 3.11Å
76G92.9Very high92.1Very high0 Ų054 Ų540%026%0.263CS..Hα-helixtrans-58.1-38.6175.600000113.5Q72 L73 L79 V80Q72-G76 PolarHBondContact O-N 2.99Å; L73-G76 PolarHBondContact O-N 2.91Å; G76-L79 PolarHBondContact O-N 3.43Å; G76-V80 WeakPolarHBondContact O-CG2 3.31Å; G76-V80 PolarHBondContact O-N 3.47Å
77I94.6Very high92.4Very high10 Ų1052.9 Ų52.95%0.05126%0.255CS..Hα-helixtrans-63.4-42.9175.5-77-178.4000111.2I18 V38 I45 L73 Q74 Y75 L79 V80 Y81I18-I77 HydrophobicContact CD1-CD1 4.23Å; I18-I77 HydrophobicContact CD1-CG1 3.78Å; I18-I77 HydrophobicContact CG1-CG1 4.17Å; I18-I77 HydrophobicContact CG2-CG1 3.91Å; V38-I77 HydrophobicContact CG1-CG2 3.93Å; I45-I77 HydrophobicContact CD1-CD1 3.41Å; I45-I77 VanDerWaalsContact CD1-CD1 3.41Å; I45-I77 HydrophobicContact CD1-CG1 4.39Å; L73-I77 WeakPolarHBondContact O-CG1 3.46Å; L73-I77 PolarHBondContact O-N 3.44Å; Q74-I77 PolarHBondContact O-N 3.42Å; Y75-I77 VanDerWaalsContact C-N 3.31Å; Y75-I77 PolarHBondContact O-N 2.91Å; I77-L79 VanDerWaalsContact C-N 3.31Å; I77-L79 PolarHBondContact O-N 2.86Å; I77-V80 PolarHBondContact O-N 3.22Å; I77-Y81 WeakPolarHBondContact O-CB 3.13Å; I77-Y81 PolarHBondContact O-N 3.48Å
78I94.6Very high92.8Very high111 Ų11152 Ų5257%0.56925%0.245SC*.Hα-helixtrans-60.8-43.4177.9-65.2162.3000110.3Q74 Y75 Y81 H82Q74-I78 PolarHBondContact O-N 3.35Å; Y75-I78 PolarHBondContact O-N 2.99Å; Y75-I78 VanDerWaalsContact O-N 3.14Å; I78-Y81 PolarHBondContact O-N 3.4Å; I78-H82 WeakPolarHBondContact O-CB 3.35Å; I78-H82 PolarHBondContact O-N 3.42Å
79L93.1Very high93.1Very high27 Ų2751.7 Ų51.714%0.14125%0.248CC..Hα-helixtrans-63.4-43.5175.6-65.5-177.5000112.7V21 Y75 G76 I77 R83 I248V21-L79 HydrophobicContact CG1-CB 3.45Å; V21-L79 VanDerWaalsContact CG1-CB 3.45Å; V21-L79 HydrophobicContact CG1-CD1 3.82Å; V21-L79 HydrophobicContact CG1-CG 4.32Å; Y75-L79 HydrophobicContact CD1-CD1 4.18Å; Y75-L79 HydrophobicContact CE1-CD1 3.6Å; Y75-L79 HydrophobicContact CE1-CG 4.33Å; Y75-L79 HydrophobicContact CE2-CD1 4.25Å; Y75-L79 HydrophobicContact CE2-CD2 4.16Å; Y75-L79 HydrophobicContact CE2-CG 4.15Å; Y75-L79 PolarHBondContact O-N 3.19Å; Y75-L79 VanDerWaalsContact O-N 3.11Å; G76-L79 PolarHBondContact O-N 3.43Å; I77-L79 VanDerWaalsContact C-N 3.31Å; I77-L79 PolarHBondContact O-N 2.86Å; L79-R83 WeakPolarHBondContact O-CB 3.49Å; L79-R83 PolarHBondContact O-N 3.26Å; L79-I248 HydrophobicContact CD2-CD1 3.41Å; L79-I248 VanDerWaalsContact CD2-CD1 3.41Å
80V93.9Very high93.3Very high0 Ų054.8 Ų54.80%026%0.263CS..Hα-helixtrans-61.7-47.4176.11670000110.8I18 V21 F33 V36 V38 G76 I77 R83 Q84I18-V80 HydrophobicContact CG1-CG2 4.47Å; V21-V80 HydrophobicContact CB-CG2 4.23Å; V21-V80 HydrophobicContact CG1-CG2 4.2Å; V21-V80 HydrophobicContact CG2-CG2 4Å; F33-V80 HydrophobicContact CD1-CB 4.31Å; F33-V80 HydrophobicContact CD1-CG1 4.26Å; F33-V80 HydrophobicContact CD1-CG2 4.03Å; F33-V80 HydrophobicContact CE1-CG2 4.07Å; V36-V80 HydrophobicContact CB-CG1 3.9Å; V36-V80 HydrophobicContact CG1-CG1 3.89Å; V36-V80 HydrophobicContact CG2-CG1 4.48Å; V38-V80 HydrophobicContact CG2-CG1 4.42Å; G76-V80 WeakPolarHBondContact O-CG2 3.31Å; G76-V80 PolarHBondContact O-N 3.47Å; I77-V80 PolarHBondContact O-N 3.22Å; V80-R83 PolarHBondContact O-N 3.37Å; V80-Q84 HydrophobicContact CG1-CG 4.43Å; V80-Q84 WeakPolarHBondContact O-CG 3.42Å; V80-Q84 PolarHBondContact O-N 2.72Å
81Y95.8Very high93.6Very high131 Ų13158.5 Ų58.551%0.51428%0.28SS..Hα-helixtrans-61-46.8178176.5-108.5000112V38 I77 I78 R83 Q84 C85V38-Y81 HydrophobicContact CG1-CD2 4.29Å; V38-Y81 HydrophobicContact CG2-CD2 4.27Å; I77-Y81 WeakPolarHBondContact O-CB 3.13Å; I77-Y81 PolarHBondContact O-N 3.48Å; I78-Y81 PolarHBondContact O-N 3.4Å; Y81-R83 VanDerWaalsContact C-N 3.29Å; Y81-R83 PolarHBondContact O-N 3.04Å; Y81-Q84 WeakPolarHBondContact O-CB 3.17Å; Y81-Q84 PolarHBondContact O-N 3.36Å; Y81-C85 PolarHBondContact O-N 2.87Å; Y81-C85 PolarHBondContact O-SG 3.46Å
82H93.3Very high93.7Very high97 Ų9758.9 Ų58.945%0.44928%0.279SS..Hα-helixtrans-59.9-40.4175.7-177.3-84.3000111.8I78 C85 T86I78-H82 WeakPolarHBondContact O-CB 3.35Å; I78-H82 PolarHBondContact O-N 3.42Å; H82-C85 PolarHBondContact O-N 3.42Å; H82-T86 PolarHBondContact O-N 3.22Å; H82-T86 PolarHBondContact O-OG1 3.26Å
83R93.1Very high93.9Very high104 Ų10463.4 Ų63.439%0.39230%0.3SS..Hα-helixtrans-68.5-38.5176.7-171.962.2-176.2172.711.7112.2F33 L79 V80 Y81 T86 I87F33-R83 HydrophobicContact CD1-CB 3.74Å; F33-R83 HydrophobicContact CD1-CG 3.73Å; F33-R83 HydrophobicContact CD2-CG 3.97Å; F33-R83 HydrophobicContact CE1-CB 3.68Å; F33-R83 HydrophobicContact CE1-CG 3.71Å; F33-R83 HydrophobicContact CE2-CG 3.94Å; F33-R83 HydrophobicContact CG-CB 4.35Å; F33-R83 HydrophobicContact CG-CG 3.87Å; F33-R83 HydrophobicContact CZ-CB 4.24Å; F33-R83 HydrophobicContact CZ-CG 3.83Å; L79-R83 WeakPolarHBondContact O-CB 3.49Å; L79-R83 PolarHBondContact O-N 3.26Å; V80-R83 PolarHBondContact O-N 3.37Å; Y81-R83 VanDerWaalsContact C-N 3.29Å; Y81-R83 PolarHBondContact O-N 3.04Å; R83-T86 WeakPolarHBondContact O-CB 3.47Å; R83-T86 PolarHBondContact O-N 2.82Å; R83-I87 HydrophobicContact CG-CD1 3.95Å; R83-I87 VanDerWaalsContact O-CB 3.32Å; R83-I87 WeakPolarHBondContact O-CB 3.49Å; R83-I87 WeakPolarHBondContact O-CD1 3.13Å; R83-I87 VanDerWaalsContact O-CG1 3.28Å; R83-I87 WeakPolarHBondContact O-CG1 3.13Å; R83-I87 PolarHBondContact O-N 3.46Å
84Q94.4Very high94Very high40 Ų4066.4 Ų66.419%0.18732%0.321CS..Hα-helixtrans-60.5-44172.3-73.8175.5-6.100111.9F33 V36 V80 Y81 T86 I87 F88F33-Q84 PolarHBondContact O-NE2 3.11Å; V36-Q84 PolarHBondContact O-NE2 3.48Å; V80-Q84 HydrophobicContact CG1-CG 4.43Å; V80-Q84 WeakPolarHBondContact O-CG 3.42Å; V80-Q84 PolarHBondContact O-N 2.72Å; Y81-Q84 WeakPolarHBondContact O-CB 3.17Å; Y81-Q84 PolarHBondContact O-N 3.36Å; Q84-T86 VanDerWaalsContact C-N 3.31Å; Q84-T86 PolarHBondContact O-N 3.14Å; Q84-I87 WeakPolarHBondContact O-CB 3.45Å; Q84-I87 PolarHBondContact O-N 3.48Å; Q84-F88 WeakPolarHBondContact O-CB 3.49Å; Q84-F88 PolarHBondContact O-N 3.38Å
85C94.2Very high94.1Very high53 Ų5366.7 Ų66.736%0.35833%0.325SS..Hα-helixtrans-62.2-39.1175.3-63.50000112.1Y81 H82 F88 L89Y81-C85 PolarHBondContact O-N 2.87Å; Y81-C85 PolarHBondContact O-SG 3.46Å; H82-C85 PolarHBondContact O-N 3.42Å; C85-F88 PolarHBondContact O-N 3.01Å; C85-L89 WeakPolarHBondContact O-CB 3.36Å; C85-L89 PolarHBondContact O-N 3.43Å
86T93.6Very high94.2Very high41 Ų4168.1 Ų68.125%0.25234%0.337SS..Hα-helixtrans-63.3-49.5175.5-50.80000110.9H82 R83 Q84 F88 L89 E90H82-T86 PolarHBondContact O-N 3.22Å; H82-T86 PolarHBondContact O-OG1 3.26Å; R83-T86 WeakPolarHBondContact O-CB 3.47Å; R83-T86 PolarHBondContact O-N 2.82Å; Q84-T86 VanDerWaalsContact C-N 3.31Å; Q84-T86 PolarHBondContact O-N 3.14Å; T86-F88 VanDerWaalsContact C-N 3.31Å; T86-F88 PolarHBondContact O-N 3.47Å; T86-L89 PolarHBondContact O-N 3.35Å; T86-E90 WeakPolarHBondContact O-CG 3.48Å; T86-E90 PolarHBondContact O-N 3.22Å
87I93.2Very high94.2Very high2 Ų269.6 Ų69.61%0.0135%0.352CS..Hα-helixtrans-54.4-43.9176.3-83166.2000112R30 F33 L34 R83 Q84 E91R30-I87 HydrophobicContact CG-CD1 3.83Å; R30-I87 HydrophobicContact CG-CG1 4.13Å; R30-I87 PolarHBondContact NH2-O 2.92Å; F33-I87 HydrophobicContact CB-CD1 4.04Å; L34-I87 HydrophobicContact CD1-CG2 4.42Å; L34-I87 HydrophobicContact CD2-CG2 3.74Å; L34-I87 HydrophobicContact CG-CG2 4.25Å; R83-I87 HydrophobicContact CG-CD1 3.95Å; R83-I87 VanDerWaalsContact O-CB 3.32Å; R83-I87 WeakPolarHBondContact O-CB 3.49Å; R83-I87 WeakPolarHBondContact O-CD1 3.13Å; R83-I87 VanDerWaalsContact O-CG1 3.28Å; R83-I87 WeakPolarHBondContact O-CG1 3.13Å; R83-I87 PolarHBondContact O-N 3.46Å; Q84-I87 WeakPolarHBondContact O-CB 3.45Å; Q84-I87 PolarHBondContact O-N 3.48Å; I87-E91 PolarHBondContact O-N 2.93Å
88F94.7Very high94.2Very high132 Ų13274.7 Ų74.758%0.57938%0.376SS*.Hα-helixtrans-68.1-43.9177.7172.5-107000112.2Q84 C85 T86 E90 E91 V92Q84-F88 WeakPolarHBondContact O-CB 3.49Å; Q84-F88 PolarHBondContact O-N 3.38Å; C85-F88 PolarHBondContact O-N 3.01Å; T86-F88 VanDerWaalsContact C-N 3.31Å; T86-F88 PolarHBondContact O-N 3.47Å; F88-E90 VanDerWaalsContact C-N 3.35Å; F88-E90 PolarHBondContact O-N 3.22Å; F88-E91 WeakPolarHBondContact O-CB 3.48Å; F88-E91 PolarHBondContact O-N 3.01Å; F88-E91 VanDerWaalsContact O-N 3.14Å; F88-V92 HydrophobicContact CD1-CG2 4.36Å; F88-V92 HydrophobicContact CD2-CG2 4.22Å; F88-V92 HydrophobicContact CE1-CG2 3.91Å; F88-V92 HydrophobicContact CE2-CG2 3.75Å; F88-V92 HydrophobicContact CZ-CG2 3.58Å; F88-V92 WeakPolarHBondContact O-CG2 3.08Å; F88-V92 PolarHBondContact O-N 3.06Å
89L94.4Very high94.1Very high82 Ų8274.5 Ų74.543%0.42938%0.375SS..Hα-helixtrans-63.6-40.3178.6-170.967.5000111.9C85 T86 E91 V92 Q93C85-L89 WeakPolarHBondContact O-CB 3.36Å; C85-L89 PolarHBondContact O-N 3.43Å; T86-L89 PolarHBondContact O-N 3.35Å; L89-E91 VanDerWaalsContact C-N 3.32Å; L89-E91 PolarHBondContact O-N 2.7Å; L89-V92 PolarHBondContact O-N 3.07Å; L89-Q93 WeakPolarHBondContact O-CB 3.45Å; L89-Q93 VanDerWaalsContact O-CG 3.29Å; L89-Q93 WeakPolarHBondContact O-CG 3.25Å; L89-Q93 PolarHBondContact O-N 2.97Å
90E94Very high94Very high74 Ų7477.5 Ų77.535%0.34639%0.391SS..Hα-helixtrans-57.4-42.8171.5-69.8164.6-17700111.7R30 T86 F88 S94R30-E90 IonicContact CZ-OE2 3.61Å; R30-E90 IonicContact NH1-OE2 3.86Å; R30-E90 PolarHBondContact NH1-OE2 2.96Å; R30-E90 IonicContact NH2-OE2 3.57Å; T86-E90 WeakPolarHBondContact O-CG 3.48Å; T86-E90 PolarHBondContact O-N 3.22Å; F88-E90 VanDerWaalsContact C-N 3.35Å; F88-E90 PolarHBondContact O-N 3.22Å; E90-S94 WeakPolarHBondContact O-CB 3.42Å; E90-S94 PolarHBondContact O-N 3.19Å
91E95.4Very high93.9Very high83 Ų8384.6 Ų84.639%0.38842%0.422SS..Hα-helixtrans-67.4-46177.7-84.6166.9-165.800112.3R30 I87 F88 L89 Q93 S94 I95R30-E91 IonicContact CZ-OE1 3.99Å; R30-E91 IonicContact NE-OE1 3.81Å; R30-E91 VanDerWaalsContact NH2-CD 3.25Å; R30-E91 IonicContact NH2-OE1 2.74Å; R30-E91 PolarHBondContact NH2-OE1 3.01Å; I87-E91 PolarHBondContact O-N 2.93Å; F88-E91 WeakPolarHBondContact O-CB 3.48Å; F88-E91 PolarHBondContact O-N 3.01Å; F88-E91 VanDerWaalsContact O-N 3.14Å; L89-E91 VanDerWaalsContact C-N 3.32Å; L89-E91 PolarHBondContact O-N 2.7Å; E91-Q93 VanDerWaalsContact C-N 3.34Å; E91-Q93 PolarHBondContact O-N 3.13Å; E91-S94 PolarHBondContact O-N 3.2Å; E91-I95 WeakPolarHBondContact O-CB 3.26Å; E91-I95 VanDerWaalsContact O-CG1 3.27Å; E91-I95 WeakPolarHBondContact O-CG1 3.34Å; E91-I95 PolarHBondContact O-N 2.88Å
92V94.4Very high93.5Very high63 Ų6384.6 Ų84.638%0.38243%0.427SS..Hα-helixtrans-60.1-43.8177.1172.30000111.1F88 L89 I95 L96F88-V92 HydrophobicContact CD1-CG2 4.36Å; F88-V92 HydrophobicContact CD2-CG2 4.22Å; F88-V92 HydrophobicContact CE1-CG2 3.91Å; F88-V92 HydrophobicContact CE2-CG2 3.75Å; F88-V92 HydrophobicContact CZ-CG2 3.58Å; F88-V92 WeakPolarHBondContact O-CG2 3.08Å; F88-V92 PolarHBondContact O-N 3.06Å; L89-V92 PolarHBondContact O-N 3.07Å; V92-I95 PolarHBondContact O-N 2.6Å; V92-L96 WeakPolarHBondContact O-CB 3.46Å; V92-L96 PolarHBondContact O-N 2.66Å
93Q94.4Very high92.9Very high124 Ų12489.4 Ų89.458%0.57944%0.441SS*.Hα-helixtrans-64.7-40.6176.5-72.7176.2-11.300112.2L89 E91 G97L89-Q93 WeakPolarHBondContact O-CB 3.45Å; L89-Q93 VanDerWaalsContact O-CG 3.29Å; L89-Q93 WeakPolarHBondContact O-CG 3.25Å; L89-Q93 PolarHBondContact O-N 2.97Å; E91-Q93 VanDerWaalsContact C-N 3.34Å; E91-Q93 PolarHBondContact O-N 3.13Å; Q93-G97 PolarHBondContact O-N 3.16Å
94S94.6Very high91.9Very high63 Ų6388.6 Ų88.644%0.44145%0.451SS..Hα-helixtrans-63.6-46.1175.5-175.40000112E90 E91 G97 Q98E90-S94 WeakPolarHBondContact O-CB 3.42Å; E90-S94 PolarHBondContact O-N 3.19Å; E91-S94 PolarHBondContact O-N 3.2Å; S94-G97 PolarHBondContact O-N 2.87Å; S94-Q98 VanDerWaalsContact O-CG 3.32Å; S94-Q98 WeakPolarHBondContact O-CG 3.45Å; S94-Q98 PolarHBondContact O-N 2.89Å; S94-Q98 PolarHBondContact OG-NE2 2.81Å
95I95Very high90.4Very high95 Ų9590.2 Ų90.249%0.48747%0.467SS..Hα-helixtrans-63-46.1177.5-68.5163.8000110.5E91 V92 G97 Q98 L99E91-I95 WeakPolarHBondContact O-CB 3.26Å; E91-I95 VanDerWaalsContact O-CG1 3.27Å; E91-I95 WeakPolarHBondContact O-CG1 3.34Å; E91-I95 PolarHBondContact O-N 2.88Å; V92-I95 PolarHBondContact O-N 2.6Å; I95-G97 PolarHBondContact O-N 3.48Å; I95-Q98 PolarHBondContact O-N 3.17Å; I95-L99 HydrophobicContact CG2-CD1 3.86Å; I95-L99 HydrophobicContact CG2-CG 4.32Å; I95-L99 WeakPolarHBondContact O-CB 3.47Å; I95-L99 WeakPolarHBondContact O-CG 3.36Å; I95-L99 PolarHBondContact O-N 3.23Å
96L94.9Very high88.6Confident98 Ų9890.8 Ų90.851%0.51348%0.482SS..Hα-helixtrans-61-44.4176.6-178.762.1000111.4V92 Q98 L99 L100V92-L96 WeakPolarHBondContact O-CB 3.46Å; V92-L96 PolarHBondContact O-N 2.66Å; L96-Q98 VanDerWaalsContact C-N 3.32Å; L96-Q98 PolarHBondContact O-N 3.41Å; L96-L99 PolarHBondContact O-N 2.87Å; L96-L100 HydrophobicContact CD1-CD1 4.25Å; L96-L100 HydrophobicContact CD1-CG 4.22Å; L96-L100 HydrophobicContact CG-CD1 4.06Å; L96-L100 HydrophobicContact CG-CG 4.45Å; L96-L100 WeakPolarHBondContact O-CB 3.41Å; L96-L100 VanDerWaalsContact O-CG 3.32Å; L96-L100 WeakPolarHBondContact O-CG 3.47Å; L96-L100 PolarHBondContact O-N 3.09Å
97G93.3Very high86.7Confident32 Ų3297.9 Ų97.933%0.3351%0.509SS..Hα-helixtrans-61.7-36.9175.500000113.2Q93 S94 I95 K101Q93-G97 PolarHBondContact O-N 3.16Å; S94-G97 PolarHBondContact O-N 2.87Å; I95-G97 PolarHBondContact O-N 3.48Å; G97-K101 VanDerWaalsContact O-CG 3.27Å; G97-K101 WeakPolarHBondContact O-CG 3.39Å; G97-K101 PolarHBondContact O-N 2.99Å
98Q94Very high84.7Confident117 Ų117103.3 Ų103.355%0.54754%0.543SS..Hα-helixtrans-68.4-46.4172.9-71.5175.235.900111.6S94 I95 L96 L100 K101 Q102S94-Q98 VanDerWaalsContact O-CG 3.32Å; S94-Q98 WeakPolarHBondContact O-CG 3.45Å; S94-Q98 PolarHBondContact O-N 2.89Å; S94-Q98 PolarHBondContact OG-NE2 2.81Å; I95-Q98 PolarHBondContact O-N 3.17Å; L96-Q98 VanDerWaalsContact C-N 3.32Å; L96-Q98 PolarHBondContact O-N 3.41Å; Q98-L100 PolarHBondContact O-N 3.13Å; Q98-K101 WeakPolarHBondContact O-CB 3.29Å; Q98-K101 PolarHBondContact O-N 2.88Å; Q98-Q102 WeakPolarHBondContact O-CG 3.32Å; Q98-Q102 PolarHBondContact O-N 2.84Å
99L92.2Very high82.4Confident106 Ų106103.8 Ų103.856%0.55555%0.551SS**Hα-helixtrans-63.2-39.1178.9-71.9172.6000112.5I95 L96 Q102 R103I95-L99 HydrophobicContact CG2-CD1 3.86Å; I95-L99 HydrophobicContact CG2-CG 4.32Å; I95-L99 WeakPolarHBondContact O-CB 3.47Å; I95-L99 WeakPolarHBondContact O-CG 3.36Å; I95-L99 PolarHBondContact O-N 3.23Å; L96-L99 PolarHBondContact O-N 2.87Å; L99-Q102 PolarHBondContact O-N 3.32Å; L99-R103 WeakPolarHBondContact O-CB 3.45Å; L99-R103 PolarHBondContact O-N 3.33Å
100L91.4Very high80.3Confident91 Ų91108.3 Ų108.348%0.47658%0.575SS.*Hα-helixtrans-65.2-42174.5-71.2173000111.7L96 Q98 R103 S104L96-L100 HydrophobicContact CD1-CD1 4.25Å; L96-L100 HydrophobicContact CD1-CG 4.22Å; L96-L100 HydrophobicContact CG-CD1 4.06Å; L96-L100 HydrophobicContact CG-CG 4.45Å; L96-L100 WeakPolarHBondContact O-CB 3.41Å; L96-L100 VanDerWaalsContact O-CG 3.32Å; L96-L100 WeakPolarHBondContact O-CG 3.47Å; L96-L100 PolarHBondContact O-N 3.09Å; Q98-L100 PolarHBondContact O-N 3.13Å; L100-R103 PolarHBondContact O-N 3.07Å; L100-S104 PolarHBondContact O-N 3.48Å; L100-S104 PolarHBondContact O-OG 3.18Å
101K92Very high78Confident149 Ų149109.3 Ų109.365%0.64859%0.59SS**Hα-helixtrans-59.4-47.7172-74.2173.7-177.7-174.60111.5G97 Q98 R103 S104 S105G97-K101 VanDerWaalsContact O-CG 3.27Å; G97-K101 WeakPolarHBondContact O-CG 3.39Å; G97-K101 PolarHBondContact O-N 2.99Å; Q98-K101 WeakPolarHBondContact O-CB 3.29Å; Q98-K101 PolarHBondContact O-N 2.88Å; K101-R103 VanDerWaalsContact C-N 3.31Å; K101-R103 PolarHBondContact O-N 3.38Å; K101-S104 WeakPolarHBondContact CA-OG 3.33Å; K101-S104 PolarHBondContact O-N 2.73Å; K101-S104 VanDerWaalsContact O-N 3.12Å; K101-S104 PolarHBondContact O-OG 2.86Å; K101-S105 PolarHBondContact O-N 3.5Å; K101-S105 PolarHBondContact O-OG 3.37Å
102Q87.4Confident75.1Confident131 Ų131108.4 Ų108.461%0.61260%0.603SS**Hα-helixtrans-61.3-36.9176.5-67.5-62.3-2600112.6Q98 L99 S105 G106Q98-Q102 WeakPolarHBondContact O-CG 3.32Å; Q98-Q102 PolarHBondContact O-N 2.84Å; L99-Q102 PolarHBondContact O-N 3.32Å; Q102-S105 WeakPolarHBondContact CA-OG 3.28Å; Q102-S105 PolarHBondContact O-N 3.15Å; Q102-S105 PolarHBondContact O-OG 3.07Å; Q102-S105 VanDerWaalsContact O-OG 3.14Å; Q102-G106 PolarHBondContact O-N 3.34Å
103R81.1Confident73Confident197 Ų197111.9 Ų111.974%0.74363%0.627SS**Hα-helixtrans-66.5-36.7174.4-169-179.7-174.5-166.71.6112.2L99 L100 K101L99-R103 WeakPolarHBondContact O-CB 3.45Å; L99-R103 PolarHBondContact O-N 3.33Å; L100-R103 PolarHBondContact O-N 3.07Å; K101-R103 VanDerWaalsContact C-N 3.31Å; K101-R103 PolarHBondContact O-N 3.38Å
104S71.9Confident70.3Confident87 Ų87111.2 Ų111.261%0.60864%0.636SS**Hα-helixtrans-72.4-32.2175.363.40000113.5L100 K101L100-S104 PolarHBondContact O-N 3.48Å; L100-S104 PolarHBondContact O-OG 3.18Å; K101-S104 WeakPolarHBondContact CA-OG 3.33Å; K101-S104 PolarHBondContact O-N 2.73Å; K101-S104 VanDerWaalsContact O-N 3.12Å; K101-S104 PolarHBondContact O-OG 2.86Å
105S62.2Low68.3Low74 Ų74118.2 Ų118.252%0.51766%0.659SS.*Hα-helixtrans-82.6-26.6174.855.80000113.7K101 Q102K101-S105 PolarHBondContact O-N 3.5Å; K101-S105 PolarHBondContact O-OG 3.37Å; Q102-S105 WeakPolarHBondContact CA-OG 3.28Å; Q102-S105 PolarHBondContact O-N 3.15Å; Q102-S105 PolarHBondContact O-OG 3.07Å; Q102-S105 VanDerWaalsContact O-OG 3.14Å
106G56.9Low65.8Low66 Ų66118.9 Ų118.968%0.6867%0.672SS**THydrogen-bonded Turntrans-84.3-4.9-177.100000116Q102Q102-G106 PolarHBondContact O-N 3.34Å
107K52.7Low63.6Low190 Ų190119.2 Ų119.283%0.82669%0.689SS**THydrogen-bonded Turntrans-98.81.8179.7-167.4153.8-179.9175.20114.2
108T52.2Low61.3Low116 Ų116122.3 Ų122.371%0.71271%0.711SS**  trans-145.265.3-177.3-27.20000112.7
109D45.7Very low59.3Low141 Ų141123.2 Ų123.275%0.75472%0.724SS**  trans-137.587.5153.3-167.711000111.7
110L49.7Very low56.9Low177 Ų177126 Ų12693%0.92774%0.738SS**  trans-147.952.8160-136.5167.2000109
111S45.8Very low54.9Low95 Ų95125.7 Ų125.766%0.66474%0.742SS**  trans-142.465.9176.465.70000112.7
112G35.7Very low53.1Low64 Ų64123.6 Ų123.666%0.6674%0.738SS**  trans-73.8136.8157.500000110.6S114G112-S114 PolarHBondContact O-N 3.36Å
113P51Low51.4Low137 Ų137120.5 Ų120.589%0.8974%0.735SS**  trans-82.9102.7-16631.5-35.4000113.1
114S36.8Very low50.1Low109 Ų109117.1 Ų117.176%0.76273%0.731SS**  trans-102.4117167.158.20000111.4G112 S116G112-S114 PolarHBondContact O-N 3.36Å; S114-S116 PolarHBondContact O-N 3.47Å
115K52.1Low49.2Very low211 Ų211119.3 Ų119.392%0.91773%0.73SS**  trans-81.9104.8175.6-66.6174.4179.3175.50110.3
116S42.9Very low48.7Very low109 Ų109120.4 Ų120.476%0.76273%0.729SS**  trans-164.2128.4154.249.80000111.5S114S114-S116 PolarHBondContact O-N 3.47Å
117A48.2Very low48.4Very low105 Ų105123.6 Ų123.687%0.86873%0.728SS**  trans-67.2140.3-176.100000114
118A44.8Very low48.5Very low97 Ų97120.8 Ų120.880%0.80272%0.718SS**  trans-146.5120.2139.900000107.5L120A118-L120 PolarHBondContact O-N 3.22Å
119V52.1Low48.6Very low136 Ų136122.3 Ų122.382%0.82472%0.717SS**PPolyproline II helixtrans-73.1117.2178.8174.60000108.2
120L43.3Very low48.8Very low163 Ų163120 Ų12085%0.85371%0.709SS**PPolyproline II helixtrans-92.5117.7163.8-154.179.6000107.2A118A118-L120 PolarHBondContact O-N 3.22Å
121P49Very low48.8Very low86 Ų86120 Ų12056%0.55870%0.704SS**PPolyproline II helixtrans-62.9145.6178.5-2234000111.7A123 L126P121-A123 PolarHBondContact O-N 2.92Å; P121-L126 HydrophobicContact CB-CD1 4.48Å
122D54.5Low49.3Very low104 Ų104119 Ų11956%0.55671%0.708SS**PPolyproline II helixtrans-63.4125.6175-171.7-9000110.1L124 F125D122-L124 PolarHBondContact O-N 3.43Å; D122-L124 PolarHBondContact OD1-N 3.28Å; D122-F125 PolarHBondContact O-N 3.32Å; D122-F125 VanDerWaalsContact O-N 3.15Å
123A51.8Low49.8Very low67 Ų67119.7 Ų119.755%0.55471%0.708SS**Hα-helixtrans-63.9-22-176.600000112.7P121 M127P121-A123 PolarHBondContact O-N 2.92Å; A123-M127 PolarHBondContact O-N 2.97Å
124L53.6Low49.6Very low126 Ų126119.2 Ų119.266%0.6670%0.704SS**Hα-helixtrans-71.4-34.9176.4-60.6-179.3000112.3D122 M127 E128D122-L124 PolarHBondContact O-N 3.43Å; D122-L124 PolarHBondContact OD1-N 3.28Å; L124-M127 PolarHBondContact O-N 2.86Å; L124-E128 PolarHBondContact O-N 2.98Å
125F52.7Low50.4Low132 Ų132118.9 Ų118.958%0.57969%0.694SS**Hα-helixtrans-71.5-32.4177.6-157.4-94.6000112D122 M127 E128 E129D122-F125 PolarHBondContact O-N 3.32Å; D122-F125 VanDerWaalsContact O-N 3.15Å; F125-M127 VanDerWaalsContact C-N 3.29Å; F125-M127 PolarHBondContact O-N 3.25Å; F125-E128 PolarHBondContact O-N 3.02Å; F125-E129 PolarHBondContact O-N 3.41Å
126L50.7Low50.6Low97 Ų97115.2 Ų115.251%0.50869%0.692SS.*Hα-helixtrans-69.7-22.8174.2-84.7166.5000113.7P121P121-L126 HydrophobicContact CB-CD1 4.48Å
127M50.5Low51Low133 Ų133116 Ų11666%0.65569%0.687SS**Hα-helixtrans-77-37.5173.7-71.4-179.160.300111.5A123 L124 F125 T130A123-M127 PolarHBondContact O-N 2.97Å; L124-M127 PolarHBondContact O-N 2.86Å; F125-M127 VanDerWaalsContact C-N 3.29Å; F125-M127 PolarHBondContact O-N 3.25Å; M127-T130 PolarHBondContact O-N 3.48Å; M127-T130 VanDerWaalsContact O-N 3.12Å; M127-T130 PolarHBondContact O-OG1 3.28Å
128E55.7Low50.9Low131 Ų131120.6 Ų120.661%0.61269%0.688SS**Hα-helixtrans-62.5-40.7177-164.4171.1-176.900111.9L124 F125 T130 E131L124-E128 PolarHBondContact O-N 2.98Å; F125-E128 PolarHBondContact O-N 3.02Å; E128-T130 PolarHBondContact O-N 3.48Å; E128-T130 VanDerWaalsContact O-N 3.16Å; E128-E131 PolarHBondContact O-N 3.08Å
129E52.9Low51.3Low148 Ų148119.3 Ų119.369%0.69268%0.683SS**THydrogen-bonded Turntrans-66.8-12.4174.4-87.5-170.8143.700114.7F125F125-E129 PolarHBondContact O-N 3.41Å
130T50.6Low50.8Low94 Ų94116.6 Ų116.658%0.57768%0.675SS**THydrogen-bonded Turntrans-95.11.3178.559.90000115M127 E128 G132 A133M127-T130 PolarHBondContact O-N 3.48Å; M127-T130 VanDerWaalsContact O-N 3.12Å; M127-T130 PolarHBondContact O-OG1 3.28Å; E128-T130 PolarHBondContact O-N 3.48Å; E128-T130 VanDerWaalsContact O-N 3.16Å; T130-G132 PolarHBondContact O-N 3.38Å; T130-A133 PolarHBondContact O-N 3.34Å
131E49.9Very low50.5Low177 Ų177117.5 Ų117.583%0.82768%0.678SS**THydrogen-bonded Turntrans-63.2-11.8178.7-161173-157.700113.6E128E128-E131 PolarHBondContact O-N 3.08Å
132G56.3Low50.3Low72 Ų72120.6 Ų120.674%0.74269%0.688SS**THydrogen-bonded Turntrans-91.811.8177.500000116.9T130 P134T130-G132 PolarHBondContact O-N 3.38Å; G132-P134 WeakPolarHBondContact O-CD 3.41Å
133A46.8Very low49.5Very low80 Ų80123.8 Ų123.866%0.66170%0.704SS**  trans-73.4123.6-177.900000112.9T130 D135T130-A133 PolarHBondContact O-N 3.34Å; A133-D135 PolarHBondContact O-N 2.74Å
134P47.3Very low48.9Very low126 Ų126127.9 Ų127.982%0.81871%0.712SS**  trans-78.7119.7179.330.3-33000112.4G132G132-P134 WeakPolarHBondContact O-CD 3.41Å
135D52.2Low48.1Very low103 Ų103129.5 Ų129.555%0.55172%0.722SS**  trans51.2103.6164.7-16611.8000118.5A133 L137A133-D135 PolarHBondContact O-N 2.74Å; D135-L137 PolarHBondContact O-N 3.16Å; D135-L137 WeakPolarHBondContact OD1-CB 3.4Å; D135-L137 PolarHBondContact OD1-N 3.35Å
136P56.6Low47.4Very low133 Ų133129.4 Ų129.486%0.86473%0.732SS**THydrogen-bonded Turntrans-73-0.7173.432.5-35.7000114.6
137L51Low46.6Very low126 Ų126133 Ų13366%0.6675%0.749SS**THydrogen-bonded Turntrans-94.512.2-179.1-67.4168.2000114.7D135 G139D135-L137 PolarHBondContact O-N 3.16Å; D135-L137 WeakPolarHBondContact OD1-CB 3.4Å; D135-L137 PolarHBondContact OD1-N 3.35Å; L137-G139 PolarHBondContact O-N 3.35Å
138F45.8Very low46.2Very low202 Ų202132.1 Ų132.189%0.88675%0.752SS**THydrogen-bonded Turntrans-69.391172.8-168.8-97.4000112.3
139G53.4Low45.4Very low69 Ų69131.4 Ų131.471%0.71175%0.753SS**THydrogen-bonded Turntrans131.50164.800000117.4L137 M141L137-G139 PolarHBondContact O-N 3.35Å; G139-M141 PolarHBondContact O-N 3.37Å
140A42.5Very low44.8Very low80 Ų80130.8 Ų130.866%0.66176%0.759SS**  trans-77.2102.9-179.100000112.5L142A140-L142 PolarHBondContact O-N 3.44Å
141M37.6Very low44.5Very low182 Ų182131.7 Ų131.790%0.89777%0.765SS**  trans-68128.5162.8-69.7-165.4-58.600109.6G139 L143G139-M141 PolarHBondContact O-N 3.37Å; M141-L143 PolarHBondContact O-N 2.77Å
142L43.1Very low44.2Very low150 Ų150131.3 Ų131.379%0.78576%0.763SS**  trans-62.6125.6170.3-75.499.9000110.3A140A140-L142 PolarHBondContact O-N 3.44Å
143L38.4Very low43.3Very low171 Ų171135.9 Ų135.990%0.89577%0.77SS**  trans-125.9117.8145.5-153.772.5000108.1M141M141-L143 PolarHBondContact O-N 2.77Å
144Q38.7Very low42.7Very low153 Ų153140.6 Ų140.672%0.71578%0.78SS**  trans-74.8131.5173.7-64165.13.300107.5
145D37.1Very low42.2Very low161 Ų161143.2 Ų143.286%0.86178%0.782SS**  -163.1139.6125.1-95.4-27.4000111.5
146T39.1Very low41.5Very low130 Ų130144.4 Ų144.480%0.79879%0.792SS**PPolyproline II helixtrans-58127.1-165.444.90000116.1
147M33.3Very low40.6Very low173 Ų173143.4 Ų143.485%0.85279%0.785SS**PPolyproline II helixtrans-65.8134.9156.1-76-78.8-74.400110.6
148P42.3Very low40.3Very low113 Ų113143.3 Ų143.373%0.73479%0.79SS**PPolyproline II helixtrans-72.6137.6172.728.6-32.3000111.8
149N39.4Very low39.8Very low116 Ų116140.3 Ų140.362%0.6278%0.784SS**PPolyproline II helixtrans-71.4139.3-174.7179.96000112.6T151N149-T151 PolarHBondContact ND2-OG1 2.88Å; N149-T151 PolarHBondContact O-N 2.92Å; N149-T151 PolarHBondContact OD1-OG1 3.31Å
150T39.3Very low39Very low136 Ų136141.9 Ų141.983%0.83478%0.784SS**THydrogen-bonded Turntrans-70.97.6-175.142.70000115.7
151T44.9Very low39Very low112 Ų112143.1 Ų143.169%0.68779%0.786SS**THydrogen-bonded Turntrans-10012.4-177.7240000115.5N149N149-T151 PolarHBondContact ND2-OG1 2.88Å; N149-T151 PolarHBondContact O-N 2.92Å; N149-T151 PolarHBondContact OD1-OG1 3.31Å
152Q43.1Very low38.9Very low169 Ų169140.9 Ų140.979%0.7978%0.777SS**  trans-107.98.7178-71-172.2-9.600115.6M154Q152-M154 VanDerWaalsContact C-N 3.32Å; Q152-M154 PolarHBondContact O-N 2.61Å
153L37.1Very low38.7Very low169 Ų169141.3 Ų141.389%0.88578%0.779SS**SBendtrans-91.724.8176-74.5174.9000114.6
154M33.9Very low38.8Very low179 Ų179138.9 Ų138.988%0.88278%0.775SS**  trans-132.277.4164.9-77.8-159.2-68.700110.8Q152Q152-M154 VanDerWaalsContact C-N 3.32Å; Q152-M154 PolarHBondContact O-N 2.61Å
155Q37.4Very low38.8Very low181 Ų181139 Ų13985%0.84678%0.776SS**  trans-151.4115.8161-110.916119.200109.9
156V38.2Very low38.9Very low128 Ų128139.1 Ų139.178%0.77677%0.773SS**  trans-86130.5-178.8-179.10000109.8
157P36.8Very low39.2Very low111 Ų111139.1 Ų139.172%0.72177%0.769SS**  trans-93.1115.2160.5-7.427000110.3D159P157-D159 PolarHBondContact O-N 2.94Å
158T44.9Very low39.3Very low124 Ų124140.6 Ų140.676%0.76177%0.765SS**THydrogen-bonded Turntrans-76.821.1-168.5-32.10000115.3
159D35.1Very low38.9Very low140 Ų140143.5 Ų143.575%0.74977%0.769SS**THydrogen-bonded Turntrans-123.30.4-166.6-71.9-53.7000115.9P157 C161P157-D159 PolarHBondContact O-N 2.94Å; D159-C161 PolarHBondContact O-N 3.45Å
160S37.1Very low38.9Very low102 Ų102141.4 Ų141.471%0.71377%0.767SS**THydrogen-bonded Turntrans-81.17179.8-166.50000114.9
161C41.9Very low38.6Very low106 Ų106142.3 Ų142.372%0.71677%0.766SS**THydrogen-bonded Turntrans-80.8-24.4-174.6-1620000113.7D159 L163D159-C161 PolarHBondContact O-N 3.45Å; C161-L163 PolarHBondContact O-N 2.89Å
162L36.6Very low38.1Very low135 Ų135146.7 Ų146.771%0.70777%0.77SS**THydrogen-bonded Turntrans-82.9-7.6-169.1-69.6173.4000115.8
163L38.9Very low37.6Very low158 Ų158147.4 Ų147.483%0.82777%0.774SS**THydrogen-bonded Turntrans-95.7-11.1-180-81.2165.9000114.6C161C161-L163 PolarHBondContact O-N 2.89Å
164C39.4Very low37.1Very low120 Ų120145 Ų14581%0.81177%0.77SS**THydrogen-bonded Turntrans-86.9-4.1178.3-66.80000113.9
165Q38.8Very low36.9Very low156 Ų156141.8 Ų141.873%0.72977%0.766SS**THydrogen-bonded Turntrans-92.82.6-172.2-151.4167.132.200114.4
166M39.9Very low36.6Very low163 Ų163139.2 Ų139.280%0.80377%0.765SS**SBendtrans-132.855.9-169.1-78.4-82.1153.300113.3
167N44.2Very low36Very low131 Ų131141.6 Ų141.670%0.70177%0.768SS**  trans-159.542.6162.9-154.910.2000116.8
168W36.3Very low35.5Very low204 Ų204143.1 Ų143.177%0.77377%0.769SS**SBendtrans-113.1-12.3172-169.5-106.7000114.3
169E34Very low34.7Very low174 Ų174146.2 Ų146.281%0.81377%0.774SS**SBendtrans-81.7-24.3177.8-63.7-176.5144.800112.6L171E169-L171 PolarHBondContact O-N 2.96Å
170A39.5Very low34.3Very low72 Ų72147.8 Ų147.860%0.59578%0.777SS**THydrogen-bonded Turntrans-84.90.3-172.400000116.1
171L31.9Very low33.8Very low154 Ų154153.9 Ų153.981%0.80678%0.784SS**THydrogen-bonded Turntrans-120.126.4-178.9-156.569.8000113.4E169E169-L171 PolarHBondContact O-N 2.96Å
172R34.8Very low33.1Very low205 Ų205154.3 Ų154.377%0.77479%0.789SS**SBendtrans-113.21172.9-136.6-164.3-60.2-144.37114.8S174R172-S174 PolarHBondContact O-N 3.39Å
173E33.1Very low32.7Very low184 Ų184159.7 Ų159.786%0.8680%0.799SS**  trans-102.563.7-177.2-67.8-176.3137.200112.4
174S27.5Very low32Very low117 Ų117158.3 Ų158.382%0.81880%0.803SS**  trans-151.867.6164.670.30000112.7R172R172-S174 PolarHBondContact O-N 3.39Å
175S28.3Very low31.4Very low112 Ų112156.4 Ų156.478%0.78380%0.796SS**  trans-147.8123.2158.1-163.80000109.2
176P32Very low30.8Very low127 Ų127157 Ų15783%0.82580%0.802SS**  trans-91.8118.2-169.733.3-32.1000112.6
177E25.5Very low30.2Very low179 Ų179154.3 Ų154.384%0.83680%0.8SS**  trans-113.3127.1154.6-70.8-160.114800110.5
178L26.3Very low29.3Very low142 Ų142152.6 Ų152.674%0.74380%0.804SS**  147.8124.5124.1-80174.9000111.7
179H26.8Very low28.8Very low189 Ų189148.2 Ų148.288%0.87581%0.805SS**  trans-146.278.5136.5-121-33.8000111.2
180E28.4Very low29.2Very low174 Ų174144.7 Ų144.781%0.81380%0.797SS**  trans-72.7122.1156.4-74.6-161.8130.900109.7
181R26.8Very low28.7Very low229 Ų229149.8 Ų149.886%0.86481%0.808SS**  trans-160.492.7151.5-152.7175.1-170.7154.54113.2
182S27Very low29.1Very low115 Ų115150.1 Ų150.180%0.80481%0.81SS**  167.6139.1116.9-74.70000113.1
183R27.3Very low28.9Very low248 Ų248146.4 Ų146.494%0.93682%0.815SS**  trans-77.7147.6-178.4-54.5160-178.4163.9-2.1111.4
184S24.6Very low28.8Very low129 Ų129141.1 Ų141.190%0.90281%0.81SS**  -164.4158.7114.8-152.60000111.4
185A26Very low29.4Very low81 Ų81144.4 Ų144.467%0.66982%0.816SS**  trans-101.6162.1-169.800000113.5
186I26.4Very low29.9Very low167 Ų167144.4 Ų144.486%0.85682%0.816SS**  166.4143.6121.9-85.9156.8000111.8
187S27Very low30.3Very low107 Ų107142.4 Ų142.475%0.74881%0.811SS**  trans92.3112.7155.1-171.20000121.7
188A26Very low31.1Very low96 Ų96137.4 Ų137.479%0.79380%0.795SS**  trans79.8106.6140.700000121.4
189S26.1Very low31.9Very low112 Ų112136 Ų13678%0.78380%0.795SS**  trans-75.6173153.6-143.10000109.6
190P42.2Very low33.1Very low99 Ų99135 Ų13564%0.64379%0.79SS**  cis-152.7174.522.746.8-26.3000122.1
191H29.3Very low34.2Very low179 Ų179130.9 Ų130.983%0.82978%0.781SS**  trans83.9119.8149-75-57.5000122.7
192L39.5Very low35.3Very low162 Ų162126.8 Ų126.885%0.84877%0.774SS**  trans-69.6151.2156.4-58.9112.2000112.1
193S30.2Very low35.8Very low126 Ų126126.5 Ų126.588%0.88177%0.768SS**  trans-161.5148141.9-890000110.9
194G32.2Very low36.1Very low73 Ų73122.5 Ų122.575%0.75377%0.765SS**  trans-80.8160.6-16900000114.7S196G194-S196 PolarHBondContact O-N 3.38Å; G194-S196 VanDerWaalsContact O-N 3.14Å
195I40.4Very low36.9Very low187 Ų187121.6 Ų121.696%0.95976%0.758SS**  trans-84.284.8173.2-53.4174.5000108.5
196S38.4Very low37.8Very low112 Ų112125.9 Ų125.978%0.78376%0.764SS**  trans-125.7117.9161-174.60000107.3G194G194-S196 PolarHBondContact O-N 3.38Å; G194-S196 VanDerWaalsContact O-N 3.14Å
197A40.2Very low38.3Very low85 Ų85123.5 Ų123.570%0.70276%0.759SS**  trans-79.1131.5179.300000110
198S41.2Very low38.8Very low74 Ų74126.3 Ų126.352%0.51777%0.765SS.*  trans-74.4149.6176.253.80000111.6E200 S201S198-E200 PolarHBondContact O-N 2.88Å; S198-S201 PolarHBondContact O-N 2.81Å; S198-S201 PolarHBondContact O-OG 2.82Å
199P44.8Very low39Very low113 Ų113129.8 Ų129.873%0.73477%0.769SS**G310 helixtrans-67-9.5-171.325.4-35000115.1S201P199-S201 VanDerWaalsContact C-N 3.32Å
200E51.6Low39.4Very low167 Ų167129.2 Ų129.278%0.7877%0.771SS**G310 helixtrans-83.5-5.4179.7-62.2-179.7156.500113.5S198 I202S198-E200 PolarHBondContact O-N 2.88Å; E200-I202 PolarHBondContact O-N 3.14Å
201S51.7Low38.8Very low87 Ų87129.6 Ų129.661%0.60878%0.782SS**G310 helixtrans-80.92.7175.860.80000114.6S198 P199S198-S201 PolarHBondContact O-N 2.81Å; S198-S201 PolarHBondContact O-OG 2.82Å; P199-S201 VanDerWaalsContact C-N 3.32Å
202I48.6Very low38.7Very low143 Ų143125.9 Ų125.973%0.73378%0.783SS**G310 helixtrans-106.3-13.1-170.9-65.7174.8000112.9E200E200-I202 PolarHBondContact O-N 3.14Å
203T38.8Very low38.1Very low109 Ų109122.7 Ų122.767%0.66978%0.78SS**  trans-98.698179.744.40000112.5S205T203-S205 PolarHBondContact O-N 3.43Å
204L33.8Very low38.4Very low165 Ų165122.8 Ų122.886%0.86478%0.777SS**  trans-74.2111.6162.8-88.6167.6000109.9
205S39.9Very low38.5Very low109 Ų109124.2 Ų124.276%0.76278%0.782SS**  trans-100.198.9167.4-57.30000109.4T203 P207T203-S205 PolarHBondContact O-N 3.43Å; S205-P207 WeakPolarHBondContact O-CD 3.38Å
206E44.9Very low38Very low172 Ų172119.1 Ų119.180%0.80477%0.768SS**PPolyproline II helixtrans-77.2125.5176.6-68.9-173152.300111.5
207P38.5Very low37.7Very low116 Ų116123.2 Ų123.275%0.75378%0.775SS**PPolyproline II helixtrans-81.5119.7167.331.4-30.3000110.2S205 L209S205-P207 WeakPolarHBondContact O-CD 3.38Å; P207-L209 PolarHBondContact O-N 2.99Å
208I37.2Very low37.1Very low167 Ų167128.2 Ų128.286%0.85678%0.781SS**PPolyproline II helixtrans-64118175.1-61.3168.2000109.6
209L29Very low36.6Very low168 Ų168132.5 Ų132.588%0.8880%0.798SS**  trans-124.8111163.8-81.2173.4000109.9P207P207-L209 PolarHBondContact O-N 2.99Å
210A34.2Very low36.3Very low101 Ų101136.3 Ų136.384%0.83581%0.806SS**  trans-78.8126.5175.500000111
211A29.9Very low35.4Very low106 Ų106137.1 Ų137.188%0.87681%0.81SS**  trans-146.5140.9163.300000108.7
212A28.1Very low34.8Very low101 Ų101139.1 Ų139.184%0.83581%0.814SS**  trans-113.2159.7-164.600000114.2
213A27.1Very low34Very low96 Ų96142.3 Ų142.379%0.79382%0.823SS**  trans78.1158.9160.400000118.8
214P35.8Very low34.2Very low127 Ų127142.6 Ų142.683%0.82582%0.824SS**  cis-116.9174-11.630-11.1000113.8
215A34.5Very low34.4Very low103 Ų103141.7 Ų141.785%0.85182%0.82SS**  trans-67.8143.8176.500000112.5
216A30.6Very low34.6Very low81 Ų81143.1 Ų143.167%0.66982%0.82SS**  trans-109.9124.8160.300000107.7
217E30.5Very low35Very low197 Ų197140.2 Ų140.292%0.92181%0.809SS**  trans-63.7133.5177.1-65.4159160.500109.2
218F28.6Very low35.3Very low190 Ų190138.5 Ų138.583%0.83380%0.798SS**  trans-112.6121.4169.6-91.6-95.8000107.5E220F218-E220 PolarHBondContact O-N 3.32Å
219D30.6Very low35.6Very low164 Ų164137.8 Ų137.888%0.87779%0.791SS**  trans-60.8130173.7-87.5-49.6000110.7E221D219-E221 PolarHBondContact O-N 3.02Å
220E38.5Very low36.6Very low193 Ų193132.6 Ų132.690%0.90277%0.766SS**  trans-8098.3171.9-66.2-178.7128.400109.8F218F218-E220 PolarHBondContact O-N 3.32Å
221E32Very low37.3Very low184 Ų184130.5 Ų130.586%0.8674%0.743SS**  trans-109.476.6163.4-72.5-165.1152.400111D219D219-E221 PolarHBondContact O-N 3.02Å
222D40.3Very low37.9Very low130 Ų130130.7 Ų130.770%0.69573%0.729SS**  trans25.394.7143.2-163.816.3000118.5
223F31.2Very low39.1Very low209 Ų209130.2 Ų130.292%0.91771%0.713SS**  trans-152.152.9154.3-95.4-68.9000111
224T43.3Very low40Very low115 Ų115128.3 Ų128.371%0.70669%0.688SS**  trans-87.4117.5167.6310000110.7
225D37.8Very low40.7Very low146 Ų146128.5 Ų128.578%0.78168%0.682SS**SBendtrans-168.8-43.7146.6-99.1-24000112.5
226D44.8Very low41.2Very low139 Ų139130.5 Ų130.574%0.74368%0.678SS**SBendtrans-88.7-8.6-171.2-82.1-25.2000116T230D226-T230 PolarHBondContact O-OG1 2.99Å
227L52Low42Very low111 Ų111129.9 Ų129.958%0.58166%0.661SS**Hα-helixtrans-77-40.1-170.3-161.861.5000116.4Q229 T230 V231L227-Q229 PolarHBondContact O-N 3.04Å; L227-T230 PolarHBondContact O-N 2.86Å; L227-V231 PolarHBondContact O-N 3.32Å
228P45.6Very low42.6Very low81 Ų81128.4 Ų128.453%0.52666%0.659SS.*Hα-helixtrans-66.1-41.4-171.923.7-31.5000112.9T230 V231 D232P228-T230 PolarHBondContact O-N 2.9Å; P228-T230 VanDerWaalsContact O-N 3.16Å; P228-V231 PolarHBondContact O-N 3.24Å; P228-D232 PolarHBondContact O-N 3.3Å; P228-D232 VanDerWaalsContact O-N 3.09Å
229Q43.7Very low43.1Very low151 Ų151122.6 Ų122.671%0.70665%0.653SS**Hα-helixtrans-60.8-27.5177-69.1-180-0.400113.1L227 L233L227-Q229 PolarHBondContact O-N 3.04Å; Q229-L233 WeakPolarHBondContact O-CB 3.35Å; Q229-L233 PolarHBondContact O-N 3.49Å
230T48.5Very low43.6Very low59 Ų59122 Ų12236%0.36265%0.645SS.*Hα-helixtrans-76-26.9177.6-50.70000111.8D226 L227 P228 L234D226-T230 PolarHBondContact O-OG1 2.99Å; L227-T230 PolarHBondContact O-N 2.86Å; P228-T230 PolarHBondContact O-N 2.9Å; P228-T230 VanDerWaalsContact O-N 3.16Å; T230-L234 WeakPolarHBondContact O-CD1 3.4Å; T230-L234 WeakPolarHBondContact O-CG 3.5Å
231V49.8Very low43.7Very low57 Ų57122 Ų12235%0.34564%0.642SS.*Hα-helixtrans-84.2-40.5179.6179.10000111.5L227 P228 L233 L234 L235L227-V231 PolarHBondContact O-N 3.32Å; P228-V231 PolarHBondContact O-N 3.24Å; V231-L233 VanDerWaalsContact C-N 3.33Å; V231-L233 PolarHBondContact O-N 3.17Å; V231-L234 WeakPolarHBondContact O-CB 3.45Å; V231-L234 PolarHBondContact O-N 3Å; V231-L234 VanDerWaalsContact O-N 3.08Å; V231-L235 PolarHBondContact O-N 3.41Å
232D43Very low44.1Very low110 Ų110119.6 Ų119.659%0.58863%0.631SS**Hα-helixtrans-63.2-40.8175-70-22.9000111.3P228 L234 L235 D236P228-D232 PolarHBondContact O-N 3.3Å; P228-D232 VanDerWaalsContact O-N 3.09Å; D232-L234 PolarHBondContact O-N 3.41Å; D232-L234 VanDerWaalsContact O-N 3.14Å; D232-L235 PolarHBondContact O-N 3.28Å; D232-D236 PolarHBondContact O-N 2.96Å
233L52.4Low43.9Very low92 Ų92116.9 Ų116.948%0.48261%0.614SS.*Hα-helixtrans-60.5-23173.9-17662.9000113.6Q229 V231 Q237Q229-L233 WeakPolarHBondContact O-CB 3.35Å; Q229-L233 PolarHBondContact O-N 3.49Å; V231-L233 VanDerWaalsContact C-N 3.33Å; V231-L233 PolarHBondContact O-N 3.17Å; L233-Q237 WeakPolarHBondContact O-CG 3.47Å
234L45.7Very low44.3Very low55 Ų55107.2 Ų107.229%0.28857%0.573SS.*Hα-helixtrans-83.9-23.1176.9-76.4164.7000113.1Y68 T230 V231 D232Y68-L234 HydrophobicContact CE1-CD2 3.88Å; Y68-L234 WeakPolarHBondContact OH-CD2 3.34Å; T230-L234 WeakPolarHBondContact O-CD1 3.4Å; T230-L234 WeakPolarHBondContact O-CG 3.5Å; V231-L234 WeakPolarHBondContact O-CB 3.45Å; V231-L234 PolarHBondContact O-N 3Å; V231-L234 VanDerWaalsContact O-N 3.08Å; D232-L234 PolarHBondContact O-N 3.41Å; D232-L234 VanDerWaalsContact O-N 3.14Å
235L50.8Low44.2Very low132 Ų132107 Ų10769%0.69157%0.567SS**Hα-helixtrans-83.4-31.5177.1-73.6161.9000111.8V231 D232 Q237V231-L235 PolarHBondContact O-N 3.41Å; D232-L235 PolarHBondContact O-N 3.28Å; L235-Q237 PolarHBondContact O-N 3.31Å
236D45.5Very low44.2Very low144 Ų144107.7 Ų107.777%0.7756%0.559SS**THydrogen-bonded Turntrans-77.9-13.3-175.2-14339.2000114.3D232 L238D232-D236 PolarHBondContact O-N 2.96Å; D236-L238 PolarHBondContact O-N 3.44Å
237Q47.1Very low44Very low68 Ų68106 Ų10632%0.31855%0.545SS..THydrogen-bonded Turntrans-88.416.3-172.4-75.4-169.512.600116.2L233 L235 G239L233-Q237 WeakPolarHBondContact O-CG 3.47Å; L235-Q237 PolarHBondContact O-N 3.31Å; Q237-G239 PolarHBondContact O-N 3.35Å; Q237-G239 VanDerWaalsContact O-N 3.11Å
238L44Very low43.8Very low167 Ų167103.3 Ų103.387%0.87453%0.53SS*.THydrogen-bonded Turntrans-64.7-19.7-171.9-16757.3000114.4D236D236-L238 PolarHBondContact O-N 3.44Å
239G38.6Very low43.6Very low68 Ų68105.7 Ų105.770%0.70154%0.538SS*.THydrogen-bonded Turntrans-100.25.3-171.400000118.2Q237Q237-G239 PolarHBondContact O-N 3.35Å; Q237-G239 VanDerWaalsContact O-N 3.11Å
240H41.8Very low43.2Very low152 Ų152104.8 Ų104.870%0.70453%0.532SS*.  trans-112.515.8-165.7-75.29000116.4Q242H240-Q242 PolarHBondContact O-N 3.13Å
241F40Very low42.8Very low191 Ų191108.5 Ų108.584%0.83855%0.549SS*.THydrogen-bonded Turntrans-69.7-25.1-170.2-160.6-109.4000115.7
242Q39.4Very low42.1Very low134 Ų134108.3 Ų108.363%0.62655%0.55SS**THydrogen-bonded Turntrans-101.5-29.4-179-68.2-165.3-1.600114.9H240 G244 L245H240-Q242 PolarHBondContact O-N 3.13Å; Q242-G244 PolarHBondContact O-N 3.49Å; Q242-L245 PolarHBondContact O-N 2.93Å
243E37.5Very low41.5Very low74 Ų74109.5 Ų109.535%0.34656%0.556SS.*Hα-helixtrans-70.3-19.4-169-170.457.4-166.300113.1K247E243-K247 HydrophobicContact CG-CD 4.05Å; E243-K247 VanDerWaalsContact CG-NZ 3.33Å; E243-K247 WeakPolarHBondContact O-CB 3.49Å; E243-K247 PolarHBondContact O-N 3.45Å; E243-K247 VanDerWaalsContact O-N 3.11Å; E243-K247 WeakPolarHBondContact OE1-CE 3.13Å; E243-K247 IonicContact OE1-NZ 2.83Å; E243-K247 PolarHBondContact OE1-NZ 3.24Å
244G39.1Very low40.6Very low6 Ų6112 Ų1126%0.06257%0.565CS.*Hα-helixtrans-62.6-44.7175.200000113.9Q242 I248Q242-G244 PolarHBondContact O-N 3.49Å; G244-I248 WeakPolarHBondContact O-CD1 3.32Å; G244-I248 VanDerWaalsContact O-CG1 3.26Å; G244-I248 WeakPolarHBondContact O-CG1 3.27Å; G244-I248 PolarHBondContact O-N 2.87Å
245L40.9Very low39.8Very low111 Ų111114.8 Ų114.858%0.58159%0.586SS**Hα-helixtrans-70.5-41.3-179.1-68.1171.3000111.3Q242 I248 L249Q242-L245 PolarHBondContact O-N 2.93Å; L245-I248 PolarHBondContact O-N 2.92Å; L245-L249 PolarHBondContact O-N 2.85Å; L245-L249 VanDerWaalsContact O-N 3.16Å
246R37.3Very low38.9Very low160 Ų160114.2 Ų114.260%0.60459%0.59SS**Hα-helixtrans-60-46.4176.1-67.5-178.2175.7174.3-1.3111.9I248 L249 F250R246-I248 PolarHBondContact O-N 3.33Å; R246-L249 PolarHBondContact O-N 3.45Å; R246-F250 PolarHBondContact O-N 3.23Å
247K41.4Very low37.9Very low104 Ų104114.1 Ų114.145%0.45260%0.596SS.*Hα-helixtrans-69.9-28.8179-76.4174.7171.81390114.2E243 F250 L251E243-K247 HydrophobicContact CG-CD 4.05Å; E243-K247 VanDerWaalsContact CG-NZ 3.33Å; E243-K247 WeakPolarHBondContact O-CB 3.49Å; E243-K247 PolarHBondContact O-N 3.45Å; E243-K247 VanDerWaalsContact O-N 3.11Å; E243-K247 WeakPolarHBondContact OE1-CE 3.13Å; E243-K247 IonicContact OE1-NZ 2.83Å; E243-K247 PolarHBondContact OE1-NZ 3.24Å; K247-F250 PolarHBondContact O-N 3.21Å; K247-L251 WeakPolarHBondContact O-CB 3.16Å; K247-L251 WeakPolarHBondContact O-CG 3.44Å; K247-L251 PolarHBondContact O-N 3.37Å
248I47.8Very low37.1Very low54 Ų54117.4 Ų117.428%0.27762%0.62SS.*Hα-helixtrans-71.2-37.5174.8-70.5164.5000111.4L79 G244 L245 R246 S252L79-I248 HydrophobicContact CD2-CD1 3.41Å; L79-I248 VanDerWaalsContact CD2-CD1 3.41Å; G244-I248 WeakPolarHBondContact O-CD1 3.32Å; G244-I248 VanDerWaalsContact O-CG1 3.26Å; G244-I248 WeakPolarHBondContact O-CG1 3.27Å; G244-I248 PolarHBondContact O-N 2.87Å; L245-I248 PolarHBondContact O-N 2.92Å; R246-I248 PolarHBondContact O-N 3.33Å; I248-S252 PolarHBondContact O-OG 3.25Å
249L40.5Very low36.2Very low131 Ų131114.9 Ų114.969%0.68662%0.616SS**Hα-helixtrans-63.5-42.6169.2-80.1158.7000111.4L245 R246 S252L245-L249 PolarHBondContact O-N 2.85Å; L245-L249 VanDerWaalsContact O-N 3.16Å; R246-L249 PolarHBondContact O-N 3.45Å; L249-S252 WeakPolarHBondContact O-CB 3.39Å; L249-S252 PolarHBondContact O-N 2.94Å
250F36Very low35.7Very low132 Ų132116.7 Ų116.758%0.57962%0.618SS**Hα-helixtrans-68.6-40.4-178.8-164.1-101.2000114R246 K247 S252 L253R246-F250 PolarHBondContact O-N 3.23Å; K247-F250 PolarHBondContact O-N 3.21Å; F250-S252 PolarHBondContact O-N 2.93Å; F250-S252 VanDerWaalsContact O-N 3.14Å; F250-L253 WeakPolarHBondContact O-CB 3.33Å; F250-L253 PolarHBondContact O-N 2.82Å
251L39.7Very low35.1Very low136 Ų136118.5 Ų118.571%0.71263%0.627SS**THydrogen-bonded Turntrans-68.2-7.9176.5-79.8158.7000113.9K247K247-L251 WeakPolarHBondContact O-CB 3.16Å; K247-L251 WeakPolarHBondContact O-CG 3.44Å; K247-L251 PolarHBondContact O-N 3.37Å
252S35.5Very low34.5Very low54 Ų54112.6 Ų112.638%0.37862%0.62SS.*THydrogen-bonded Turntrans-89.22.6170.9-72.50000114.1I248 L249 F250 R468I248-S252 PolarHBondContact O-OG 3.25Å; L249-S252 WeakPolarHBondContact O-CB 3.39Å; L249-S252 PolarHBondContact O-N 2.94Å; F250-S252 PolarHBondContact O-N 2.93Å; F250-S252 VanDerWaalsContact O-N 3.14Å; S252-R468 PolarHBondContact OG-NH2 3.4Å
253L31.1Very low34.2Very low134 Ų134112.7 Ų112.770%0.70263%0.632SS**SBendtrans-111.63.6-171.7-66.3172000115.2F250F250-L253 WeakPolarHBondContact O-CB 3.33Å; F250-L253 PolarHBondContact O-N 2.82Å
254Q33Very low33.5Very low145 Ų145118.5 Ų118.568%0.67866%0.659SS**PPolyproline II helixtrans-100.9133.8175.6-67.7-171.73.100111.8
255P28.5Very low32.8Very low113 Ų113126 Ų12673%0.73470%0.697SS**PPolyproline II helixtrans-72.3146.9170.531.4-33.8000110.5T257P255-T257 PolarHBondContact O-N 3.28Å
256P31.8Very low32.3Very low120 Ų120128.3 Ų128.378%0.77971%0.709SS**PPolyproline II helixtrans-71.9122.1178.328.9-33.2000110.9V258P256-V258 PolarHBondContact O-N 3.32Å
257T25.9Very low31.7Very low143 Ų143126.8 Ų126.888%0.87772%0.72SS**PPolyproline II helixtrans-67.4119.7163.234.10000109.5P255 S259P255-T257 PolarHBondContact O-N 3.28Å; T257-S259 PolarHBondContact O-N 2.78Å
258V28.4Very low31Very low136 Ų136129.2 Ų129.282%0.82474%0.737SS**PPolyproline II helixtrans-72.1119173.4177.70000108.5P256P256-V258 PolarHBondContact O-N 3.32Å
259S25Very low30Very low115 Ų115135.8 Ų135.880%0.80477%0.766SS**PPolyproline II helixtrans-103.4121.8162.3-170.50000108.1T257T257-S259 PolarHBondContact O-N 2.78Å
260S29.1Very low29.5Very low105 Ų105137 Ų13773%0.73477%0.768SS**  trans-108.5116.2-174.3162.90000109.3
261E28.9Very low29.3Very low191 Ų191136.5 Ų136.589%0.89378%0.779SS**  trans-130.9125.6161.7-69.1-168.8145.500109.8
262G27.1Very low28.5Very low67 Ų67132.8 Ų132.869%0.69177%0.773SS**  trans-95.9175.5174.700000111.9
263P33.8Very low28.8Very low135 Ų135136 Ų13688%0.87779%0.793SS**  trans-86.5148.7-164.934.3-35.5000113.5
264E23.4Very low28.6Very low196 Ų196135.4 Ų135.492%0.91680%0.8SS**  trans-121.5149.8166.3-160.7166-16200111
265L24.6Very low28.3Very low165 Ų165132 Ų13286%0.86480%0.804SS**  trans-94166.6-164.1-75163.9000113.8
266L29Very low28.2Very low159 Ų159136.1 Ų136.183%0.83281%0.813SS**  trans-57.4165177.8-55.7171.7000113.7
267P25.6Very low27.8Very low127 Ų127136.7 Ų136.783%0.82582%0.815SS**  -133.9120.9114.522.9-5.3000115.1
268L26.3Very low28.4Very low156 Ų156134.7 Ų134.782%0.81780%0.804SS**  22.1121.5125.7-161.879000119.8
269E26.2Very low28.3Very low191 Ų191136 Ų13689%0.89381%0.806SS**  trans-150.1133.5136-91.4-124.1114.100110.7
270E30Very low28.5Very low156 Ų156136.7 Ų136.773%0.72981%0.805SS**  trans-156.5138.3169.2-108.6-83162.600104.2G272E270-G272 PolarHBondContact OE2-N 2.86Å
271P32.3Very low28.9Very low123 Ų123137.1 Ų137.180%0.79981%0.806SS**  -146.2152.38833.5-14.7000116.4
272G23.3Very low28.8Very low58 Ų58133.5 Ų133.560%0.59880%0.801SS**  trans-68-134.417200000116.8E270E270-G272 PolarHBondContact OE2-N 2.86Å
273P41Very low29Very low121 Ų121137.8 Ų137.879%0.78681%0.808SS**  cis-145.3-160.417.245.5-25.3000116.4
274S28.1Very low29.4Very low121 Ų121137 Ų13785%0.84680%0.803SS**  trans97.7123.9172.4-40.40000113.6
275G26.5Very low29.8Very low74 Ų74134.1 Ų134.176%0.76380%0.799SS**  cis125139.324.800000107
276E26.3Very low29.9Very low199 Ų199130.3 Ų130.393%0.9379%0.791SS**  cis-147.7163.89.2-64.9171.5132.800110.4
277T24.1Very low29.9Very low132 Ų132133.9 Ų133.981%0.8179%0.794SS**  trans-90.8-174.4169.26.40000111
278P37.8Very low30.3Very low101 Ų101134.3 Ų134.366%0.65679%0.794SS**  cis-134.2-169.9-20.625.5-0.7000113.5
279L26Very low31.1Very low164 Ų164132.9 Ų132.986%0.85979%0.794SS**  trans138.9125.4130.4-71.8165.6000116.7
280T30.1Very low31.4Very low130 Ų130128.2 Ų128.280%0.79879%0.788SS**  trans-94.7160.715045.90000108.3
281P36.2Very low31.4Very low114 Ų114126 Ų12674%0.7480%0.796SS**  -162.7-179.971.744.7-22.2000120
282S27.1Very low31.2Very low115 Ų115124 Ų12480%0.80480%0.799SS**  trans82.7133.1144.3-640000125
283D32.1Very low31.7Very low156 Ų156128 Ų12883%0.83481%0.81SS**  trans-66.6164.8161.2-77.1-59000114
284P42.2Very low31.3Very low119 Ų119128.9 Ų128.977%0.77381%0.814SS**  -155.9135.998.536.9-16.1000119.8
285V29.9Very low31.5Very low135 Ų135128.2 Ų128.282%0.81881%0.81SS**  48.6122.5121.6-177.30000123.4
286A28Very low32.1Very low86 Ų86130.4 Ų130.471%0.71181%0.81SS**  142.1119.6124.900000121.5
287R28.3Very low33.1Very low233 Ų233126.8 Ų126.888%0.87980%0.804SS**  trans48.8105133.7-63.4-176.8175.7121.8-0.4125.8
288V33.9Very low33.5Very low137 Ų137126.4 Ų126.483%0.8381%0.807SS**  21.1129.7112.7-177.30000118.5
289P43.6Very low33.5Very low125 Ų125126.5 Ų126.581%0.81282%0.816SS**  -148.9-174.370.729.5-4.9000116.9
290A32Very low34.1Very low93 Ų93122.9 Ų122.977%0.76981%0.81SS**  cis-175-176.5-35.600000111.7
291A30.3Very low35Very low110 Ų110129.1 Ų129.191%0.90982%0.819SS**  trans89.6132.6163.300000121.9
292G28.9Very low35.4Very low82 Ų82134.9 Ų134.985%0.84583%0.826SS**  trans156.296.2172.300000114.1
293V34.2Very low36.5Very low140 Ų140141.2 Ų141.285%0.84883%0.832SS**  trans-101.1136.3-173.3171.30000112.1
294T31.4Very low37.6Very low140 Ų140145.4 Ų145.486%0.85984%0.836SS**  trans-175.4134.7134.3420000112.1
295S32.9Very low38.4Very low108 Ų108151.2 Ų151.276%0.75584%0.843SS**  trans-111.2164.4153.359.80000108.7
296P39.6Very low39.7Very low120 Ų120149.6 Ų149.678%0.77984%0.837SS**  -148.4-153.1100.448-30.5000111.3
297P46.4Very low41.3Very low123 Ų123150.9 Ų150.980%0.79984%0.838SS**  -122.4160.3-125.324.80.5000115.7
298S32Very low42.9Very low123 Ų123148.4 Ų148.486%0.8684%0.837SS**  trans-151.3138.3157.2-169.80000112
299A38.7Very low44.4Very low104 Ų104148.5 Ų148.586%0.8683%0.832SS**  trans-87.3117.2-172.700000111.9
300A38.8Very low45.5Very low88 Ų88147.6 Ų147.673%0.72782%0.824SS**  trans-126.6113.1164.500000109.8R302A300-R302 PolarHBondContact O-N 3.22Å
301R49Very low47.2Very low260 Ų260152 Ų15298%0.98183%0.826SS**  trans-59.894.4175.2-83.8170.7147.6177.9-7.3110.6
302R43.5Very low49Very low236 Ų236154.9 Ų154.989%0.89182%0.818SS**  trans-82.8121.6160.7-75.6-168.9172-153.1-2109.1A300 R304A300-R302 PolarHBondContact O-N 3.22Å; R302-R304 PolarHBondContact O-N 2.82Å; R302-R304 VanDerWaalsContact O-N 3.13Å
303R51.3Low51.5Low248 Ų248156 Ų15694%0.93681%0.805SS**  trans-56.8115.8171.5-71.2-177.4175.6-165.8-1.3108.2R305R303-R305 PolarHBondContact O-N 2.96Å
304R54.2Low53.4Low243 Ų243155.1 Ų155.192%0.91780%0.802SS**  trans-67.9114.2168.2-66.2-173.9179.3-154.2-0.2107R302 S306R302-R304 PolarHBondContact O-N 2.82Å; R302-R304 VanDerWaalsContact O-N 3.13Å; R304-S306 PolarHBondContact O-N 3.29Å
305R59.7Low55.7Low241 Ų241156 Ų15691%0.90980%0.797SS**PPolyproline II helixtrans-65.1120152.7-73.7-179.2174.5169-3.1105R303R303-R305 PolarHBondContact O-N 2.96Å
306S56.9Low57.8Low101 Ų101156.5 Ų156.571%0.70680%0.795SS**PPolyproline II helixtrans-56.5132.9164.7410000107.6R304 E308R304-S306 PolarHBondContact O-N 3.29Å; S306-E308 PolarHBondContact O-N 3.35Å
307P62.1Low59.7Low113 Ų113159 Ų15973%0.73480%0.797SS**PPolyproline II helixtrans-58.4138.3165.927.3-32.5000107.9L309P307-L309 PolarHBondContact O-N 3.5Å
308E62.3Low61.4Low181 Ų181158.1 Ų158.185%0.84679%0.785SS**PPolyproline II helixtrans-56.3130.5171.9-165.6160.4-157.500108.3S306 V310S306-E308 PolarHBondContact O-N 3.35Å; E308-V310 PolarHBondContact O-N 2.97Å
309L64.7Low64.1Low140 Ų140154.4 Ų154.473%0.73376%0.759SS**  trans-67.9105179.4-86.778.6000108P307 F311P307-L309 PolarHBondContact O-N 3.5Å; L309-F311 VanDerWaalsContact C-N 3.29Å; L309-F311 HydrophobicContact CB-CD2 4.24Å; L309-F311 HydrophobicContact CB-CE2 4.45Å; L309-F311 HydrophobicContact CD2-CE2 4.15Å; L309-F311 PolarHBondContact O-N 3.38Å
310V66.8Low66.3Low106 Ų106156.9 Ų156.964%0.64275%0.752SS**  trans-70.594.9164.8-171.30000106.6E308 F312E308-V310 PolarHBondContact O-N 2.97Å; V310-F312 HydrophobicContact CB-CD2 4.29Å; V310-F312 HydrophobicContact CB-CE2 3.85Å; V310-F312 HydrophobicContact CG1-CD2 3.85Å; V310-F312 HydrophobicContact CG1-CE1 4.29Å; V310-F312 HydrophobicContact CG1-CE2 3.36Å; V310-F312 HydrophobicContact CG1-CZ 3.61Å; V310-F312 WeakPolarHBondContact O-CD2 3.15Å; V310-F312 PolarHBondContact O-N 3.07Å
311F68.6Low68.5Low184 Ų184156.7 Ų156.781%0.80775%0.746SS**  trans-66.1102.1168.3-101.2-95.4000107.7L309L309-F311 VanDerWaalsContact C-N 3.29Å; L309-F311 HydrophobicContact CB-CD2 4.24Å; L309-F311 HydrophobicContact CB-CE2 4.45Å; L309-F311 HydrophobicContact CD2-CE2 4.15Å; L309-F311 PolarHBondContact O-N 3.38Å
312F67.9Low70.1Confident171 Ų171149 Ų14975%0.7572%0.721SS**  trans-83114.3161.8-71.8-82.4000107.1V310V310-F312 HydrophobicContact CB-CD2 4.29Å; V310-F312 HydrophobicContact CB-CE2 3.85Å; V310-F312 HydrophobicContact CG1-CD2 3.85Å; V310-F312 HydrophobicContact CG1-CE1 4.29Å; V310-F312 HydrophobicContact CG1-CE2 3.36Å; V310-F312 HydrophobicContact CG1-CZ 3.61Å; V310-F312 WeakPolarHBondContact O-CD2 3.15Å; V310-F312 PolarHBondContact O-N 3.07Å
313D80.3Confident72.1Confident106 Ų106142.5 Ų142.557%0.56770%0.701SS**  trans-63.8126.4166.6-157.6-38.3000108.1E315 T316D313-E315 PolarHBondContact O-N 3.42Å; D313-E315 PolarHBondContact OD1-N 3.44Å; D313-E315 VanDerWaalsContact OD1-N 3.11Å; D313-T316 HydrophobicContact CB-CG2 4.34Å
314P74.2Confident73.7Confident121 Ų121134.8 Ų134.879%0.78668%0.675SS**SBendtrans-61.3-25.6174.525.1-35.5000113.1
315E80Confident75.2Confident159 Ų159129.1 Ų129.174%0.74366%0.659SS**  trans-12483-172.5-70.1175.2-172.600110.5D313 Q317D313-E315 PolarHBondContact O-N 3.42Å; D313-E315 PolarHBondContact OD1-N 3.44Å; D313-E315 VanDerWaalsContact OD1-N 3.11Å; E315-Q317 VanDerWaalsContact C-N 3.3Å; E315-Q317 PolarHBondContact O-N 2.91Å
316T76.9Confident76.3Confident119 Ų119122.2 Ų122.273%0.7364%0.637SS**  trans-84.51-178.856.80000114.4D313D313-T316 HydrophobicContact CB-CG2 4.34Å
317Q80.1Confident77.6Confident173 Ų173122.9 Ų122.981%0.80863%0.632SS**SBendtrans-143.6135.4-176.2-63.3-174.9-9.600110.1E315E315-Q317 VanDerWaalsContact C-N 3.3Å; E315-Q317 PolarHBondContact O-N 2.91Å
318L82.1Confident78.6Confident104 Ų104124.8 Ų124.855%0.54563%0.631SS.*  trans-66.9147.1168-68.1164.9000109.7
319S87.1Confident79.5Confident45 Ų45121.7 Ų121.732%0.31562%0.617SS.*  trans-68.9152.617470.20000111.3S321 E322 Q323S319-S321 PolarHBondContact O-N 2.94Å; S319-S321 PolarHBondContact OG-OG 3.2Å; S319-E322 VanDerWaalsContact CB-OE2 3.23Å; S319-E322 WeakPolarHBondContact CB-OE2 3.43Å; S319-E322 PolarHBondContact N-OE2 3.27Å; S319-E322 PolarHBondContact O-N 2.87Å; S319-E322 VanDerWaalsContact OG-CG 3.25Å; S319-E322 WeakPolarHBondContact OG-CG 3.42Å; S319-E322 PolarHBondContact OG-N 3.42Å; S319-E322 PolarHBondContact OG-OE2 3.06Å; S319-Q323 PolarHBondContact O-N 2.87Å
320E85.5Confident79.8Confident155 Ų155118.6 Ų118.672%0.72460%0.604SS**Hα-helixtrans-56-35.3178-171.8173.9-169.500111.8Q324E320-Q324 WeakPolarHBondContact O-CB 3.46Å; E320-Q324 PolarHBondContact O-N 2.8Å
321S84.4Confident80.2Confident85 Ų85120.4 Ų120.459%0.59461%0.61SS**Hα-helixtrans-64.8-43.4173.734.10000114S319 Q324 Q325S319-S321 PolarHBondContact O-N 2.94Å; S319-S321 PolarHBondContact OG-OG 3.2Å; S321-Q324 PolarHBondContact O-N 3.4Å; S321-Q325 WeakPolarHBondContact O-CB 3.29Å; S321-Q325 PolarHBondContact O-N 3.39Å
322E84Confident80.3Confident97 Ų97116.4 Ų116.445%0.45360%0.601SS.*Hα-helixtrans-71.3-37.9179.3-70.3159.4140.500111.1S319 Q325 Q326S319-E322 VanDerWaalsContact CB-OE2 3.23Å; S319-E322 WeakPolarHBondContact CB-OE2 3.43Å; S319-E322 PolarHBondContact N-OE2 3.27Å; S319-E322 PolarHBondContact O-N 2.87Å; S319-E322 VanDerWaalsContact OG-CG 3.25Å; S319-E322 WeakPolarHBondContact OG-CG 3.42Å; S319-E322 PolarHBondContact OG-N 3.42Å; S319-E322 PolarHBondContact OG-OE2 3.06Å; E322-Q325 PolarHBondContact O-N 3.01Å; E322-Q326 WeakPolarHBondContact O-CG 3.39Å; E322-Q326 PolarHBondContact O-N 2.82Å
323Q84.8Confident80.4Confident101 Ų101115.8 Ų115.847%0.47260%0.6SS.*Hα-helixtrans-62-45.2173.9-166.6-169.4-95.900111.1S319 Q325 Q326 I327S319-Q323 PolarHBondContact O-N 2.87Å; Q323-Q325 VanDerWaalsContact C-N 3.35Å; Q323-Q325 PolarHBondContact O-N 3.29Å; Q323-Q326 PolarHBondContact O-N 3.47Å; Q323-I327 HydrophobicContact CG-CD1 4.25Å; Q323-I327 WeakPolarHBondContact O-CD1 3.48Å; Q323-I327 VanDerWaalsContact O-CG1 3.29Å; Q323-I327 WeakPolarHBondContact O-CG1 3.28Å; Q323-I327 PolarHBondContact O-N 2.97Å; Q323-I327 VanDerWaalsContact O-N 3.12Å
324Q84.9Confident80.2Confident86 Ų86114.9 Ų114.940%0.40260%0.598SS.*Hα-helixtrans-61.7-42.9175.4-119.268.2-17.600111.7E320 S321 Q326 I327 E328E320-Q324 WeakPolarHBondContact O-CB 3.46Å; E320-Q324 PolarHBondContact O-N 2.8Å; S321-Q324 PolarHBondContact O-N 3.4Å; Q324-Q326 VanDerWaalsContact C-N 3.35Å; Q324-Q326 PolarHBondContact O-N 2.92Å; Q324-I327 WeakPolarHBondContact O-CB 3.38Å; Q324-I327 PolarHBondContact O-N 3.31Å; Q324-I327 VanDerWaalsContact O-N 3.1Å; Q324-E328 WeakPolarHBondContact O-CG 3.41Å; Q324-E328 PolarHBondContact O-N 3.18Å
325Q85Confident80.2Confident123 Ų123120.5 Ų120.558%0.57560%0.604SS**Hα-helixtrans-63.2-38.4178.5-169.5172.84.500112.5S321 E322 Q323 I327 E328 E329S321-Q325 WeakPolarHBondContact O-CB 3.29Å; S321-Q325 PolarHBondContact O-N 3.39Å; E322-Q325 PolarHBondContact O-N 3.01Å; Q323-Q325 VanDerWaalsContact C-N 3.35Å; Q323-Q325 PolarHBondContact O-N 3.29Å; Q325-I327 VanDerWaalsContact C-N 3.31Å; Q325-I327 PolarHBondContact O-N 3.41Å; Q325-E328 PolarHBondContact O-N 3.23Å; Q325-E329 PolarHBondContact O-N 3.07Å
326Q83.7Confident79.8Confident96 Ų96116.8 Ų116.845%0.44960%0.6SS.*Hα-helixtrans-67.9-28.4173.6-74.2-177.3-20.500113.4E322 Q323 Q324E322-Q326 WeakPolarHBondContact O-CG 3.39Å; E322-Q326 PolarHBondContact O-N 2.82Å; Q323-Q326 PolarHBondContact O-N 3.47Å; Q324-Q326 VanDerWaalsContact C-N 3.35Å; Q324-Q326 PolarHBondContact O-N 2.92Å
327I83.5Confident79.2Confident116 Ų116116.5 Ų116.560%0.59560%0.6SS**Hα-helixtrans-76.1-37.7174.6-67.6163.7000111Q323 Q324 Q325Q323-I327 HydrophobicContact CG-CD1 4.25Å; Q323-I327 WeakPolarHBondContact O-CD1 3.48Å; Q323-I327 VanDerWaalsContact O-CG1 3.29Å; Q323-I327 WeakPolarHBondContact O-CG1 3.28Å; Q323-I327 PolarHBondContact O-N 2.97Å; Q323-I327 VanDerWaalsContact O-N 3.12Å; Q324-I327 WeakPolarHBondContact O-CB 3.38Å; Q324-I327 PolarHBondContact O-N 3.31Å; Q324-I327 VanDerWaalsContact O-N 3.1Å; Q325-I327 VanDerWaalsContact C-N 3.31Å; Q325-I327 PolarHBondContact O-N 3.41Å
328E84.6Confident78.7Confident152 Ų152113.3 Ų113.371%0.7160%0.604SS**Hα-helixtrans-75.1-36.3179.7-71.6178.6-176.600112.8Q324 Q325 P330Q324-E328 WeakPolarHBondContact O-CG 3.41Å; Q324-E328 PolarHBondContact O-N 3.18Å; Q325-E328 PolarHBondContact O-N 3.23Å; E328-P330 WeakPolarHBondContact O-CD 3.21Å
329E79.9Confident77.8Confident117 Ų117114.9 Ų114.955%0.54762%0.617SS.*  trans-123.668.7179.1-66.4-170.4165.700113.5Q325 L331 T332Q325-E329 PolarHBondContact O-N 3.07Å; E329-L331 PolarHBondContact O-N 3.1Å; E329-L331 VanDerWaalsContact O-N 3.12Å; E329-T332 PolarHBondContact O-N 2.8Å; E329-T332 PolarHBondContact O-OG1 3.27Å
330P71.8Confident76.4Confident74 Ų74115.2 Ų115.248%0.48162%0.623SS.*THydrogen-bonded Turntrans-67-16.8-174.926.9-36000114.5E328 T332 T334E328-P330 WeakPolarHBondContact O-CD 3.21Å; P330-T332 VanDerWaalsContact C-N 3.31Å; P330-T334 WeakPolarHBondContact O-CB 3.5Å; P330-T334 WeakPolarHBondContact O-CG2 3.39Å; P330-T334 PolarHBondContact O-N 2.87Å; P330-T334 PolarHBondContact O-OG1 3.06Å
331L74.2Confident75Confident145 Ų145111.5 Ų111.576%0.75961%0.612SS**THydrogen-bonded Turntrans-79.3-10.2179.6-66.1175.1000113.7E329E329-L331 PolarHBondContact O-N 3.1Å; E329-L331 VanDerWaalsContact O-N 3.12Å
332T72Confident73.7Confident99 Ų99111.1 Ų111.161%0.60761%0.608SS**THydrogen-bonded Turntrans-73.1-34.7-177.9-58.60000112E329 P330E329-T332 PolarHBondContact O-N 2.8Å; E329-T332 PolarHBondContact O-OG1 3.27Å; P330-T332 VanDerWaalsContact C-N 3.31Å
333E70.4Confident72.4Confident158 Ų158111.3 Ų111.374%0.73862%0.617SS**THydrogen-bonded Turntrans-111.3-6.2178.3-68.5-65.916700113.6
334T74.7Confident70.8Confident87 Ų87110.8 Ų110.853%0.53463%0.625SS.*  trans-114.1126.4179.371.20000112.7P330P330-T334 WeakPolarHBondContact O-CB 3.5Å; P330-T334 WeakPolarHBondContact O-CG2 3.39Å; P330-T334 PolarHBondContact O-N 2.87Å; P330-T334 PolarHBondContact O-OG1 3.06Å
335R74.2Confident69.2Low240 Ų240114.2 Ų114.291%0.90664%0.64SS**PPolyproline II helixtrans-95.9129.1171-175.9176.5178.5171.31.1109.3
336A71.3Confident67.7Low80 Ų80115.9 Ų115.966%0.66164%0.642SS**PPolyproline II helixtrans-53.6133173.400000110.7A338A336-A338 PolarHBondContact O-N 3.43Å
337P65.9Low66.5Low113 Ų113116.7 Ų116.773%0.73465%0.653SS**PPolyproline II helixtrans-61.1136.9179.925.2-33.5000109.7V339P337-V339 PolarHBondContact O-N 3.17Å
338A68.8Low65.6Low106 Ų106115.3 Ų115.388%0.87665%0.646SS**  trans-64102.8176.100000109A336 A340A336-A338 PolarHBondContact O-N 3.43Å; A338-A340 PolarHBondContact O-N 3.3Å
339V64.1Low64.9Low137 Ų137111.5 Ų111.583%0.8363%0.634SS**  trans-62.8111.1179.6178.30000108.2P337P337-V339 PolarHBondContact O-N 3.17Å
340A56.7Low64.3Low52 Ų52108.2 Ų108.243%0.4363%0.627SS.*PPolyproline II helixtrans-52.7130.2166.700000109.2A338 R346A338-A340 PolarHBondContact O-N 3.3Å; A340-R346 VanDerWaalsContact CB-NH2 3.26Å
341P57.3Low64.2Low78 Ų78107.1 Ų107.151%0.50662%0.624SS.*PPolyproline II helixtrans-58.1149.4175.124.3-33.8000110.3R346P341-R346 PolarHBondContact O-NE 3.14Å
342P56.6Low64.2Low77 Ų77105.1 Ų105.150%0.561%0.611SS.*PPolyproline II helixtrans-56.4151.8-172.721.1-32.6000112.5S344 H345P342-S344 PolarHBondContact O-N 3.23Å; P342-H345 PolarHBondContact O-N 3.26Å
343P55.4Low64.3Low100 Ų100104.7 Ų104.765%0.64961%0.605SS**G310 helixtrans-61.4-19.1-170.323.7-34.2000114.4H345 R346 V347P343-H345 PolarHBondContact O-N 3.43Å; P343-H345 VanDerWaalsContact O-N 3.16Å; P343-R346 PolarHBondContact O-N 3.3Å; P343-V347 PolarHBondContact O-N 3.35Å
344S52.5Low64.4Low91 Ų91101.1 Ų101.164%0.63659%0.59SS**G310 helixtrans-56.5-23.6172.148.60000114.3P342P342-S344 PolarHBondContact O-N 3.23Å
345H50.3Low64.5Low157 Ų15799.5 Ų99.573%0.72758%0.582SS**G310 helixtrans-98.87.4175.3-68.1-92000113.9P342 P343P342-H345 PolarHBondContact O-N 3.26Å; P343-H345 PolarHBondContact O-N 3.43Å; P343-H345 VanDerWaalsContact O-N 3.16Å
346R53.9Low64.7Low159 Ų15990.2 Ų90.260%0.655%0.551SS**THydrogen-bonded Turntrans-114-16.6-176.5-66.4-178.4168.6-151.3-14.8114A340 P341 P343 I348A340-R346 VanDerWaalsContact CB-NH2 3.26Å; P341-R346 PolarHBondContact O-NE 3.14Å; P343-R346 PolarHBondContact O-N 3.3Å; R346-I348 PolarHBondContact O-N 2.92Å
347V58.4Low65Low112 Ų11287.6 Ų87.668%0.67953%0.527SS*.  trans-88.996.8175.4-173.80000107.8P343 P349P343-V347 PolarHBondContact O-N 3.35Å; V347-P349 WeakPolarHBondContact O-CD 3.42Å
348I65.6Low65.4Low88 Ų8888.9 Ų88.945%0.45154%0.537SS..  trans-57.2122.7163.2-58.3173.5000106.2R346 E352 L353R346-I348 PolarHBondContact O-N 2.92Å; I348-E352 HydrophobicContact CG2-CB 3.76Å; I348-E352 HydrophobicContact CG2-CG 3.72Å; I348-L353 HydrophobicContact CB-CD1 4.48Å; I348-L353 HydrophobicContact CB-CD2 3.87Å; I348-L353 HydrophobicContact CB-CG 3.92Å; I348-L353 HydrophobicContact CD1-CD2 4.16Å; I348-L353 HydrophobicContact CG2-CD2 3.75Å; I348-L353 HydrophobicContact CG2-CG 3.73Å; I348-L353 WeakPolarHBondContact O-CD1 3.46Å
349P69.6Low65.8Low72 Ų7287.4 Ų87.447%0.46852%0.52SS..  trans-53.8147.7-176.8-28.435.6000112.2V347 A351 E352 L353V347-P349 WeakPolarHBondContact O-CD 3.42Å; P349-A351 PolarHBondContact O-N 2.75Å; P349-E352 HydrophobicContact CB-CB 4.41Å; P349-E352 WeakPolarHBondContact CD-OE2 3.49Å; P349-E352 WeakPolarHBondContact O-CA 3.42Å; P349-E352 PolarHBondContact O-N 3.27Å; P349-L353 PolarHBondContact O-N 3.28Å
350A65.8Low66.6Low48 Ų4890.1 Ų90.140%0.39752%0.521SS..Hα-helixtrans-55.7-38.6178.900000111.9E352 L353 L354A350-E352 PolarHBondContact O-N 3.2Å; A350-L353 PolarHBondContact O-N 2.94Å; A350-L354 VanDerWaalsContact O-CB 3.32Å; A350-L354 WeakPolarHBondContact O-CB 3.43Å; A350-L354 VanDerWaalsContact O-CG 3.27Å; A350-L354 WeakPolarHBondContact O-CG 3.35Å; A350-L354 PolarHBondContact O-N 3.29Å
351A70.3Confident67.8Low51 Ų5189.4 Ų89.442%0.42151%0.51SS..Hα-helixtrans-58.8-41.1172.300000112.9P349 S355 Y532P349-A351 PolarHBondContact O-N 2.75Å; A351-S355 WeakPolarHBondContact O-CB 3.45Å; A351-S355 PolarHBondContact O-N 3.04Å; A351-S355 PolarHBondContact O-OG 3.08Å; A351-Y532 HydrophobicContact CB-CD2 4.45Å
352E73.5Confident69.2Low103 Ų10388.6 Ų88.648%0.48151%0.505SS..Hα-helixtrans-75.4-35.4179-175.1177-172.100112.2I348 P349 A350 N356I348-E352 HydrophobicContact CG2-CB 3.76Å; I348-E352 HydrophobicContact CG2-CG 3.72Å; P349-E352 HydrophobicContact CB-CB 4.41Å; P349-E352 WeakPolarHBondContact CD-OE2 3.49Å; P349-E352 WeakPolarHBondContact O-CA 3.42Å; P349-E352 PolarHBondContact O-N 3.27Å; A350-E352 PolarHBondContact O-N 3.2Å; E352-N356 WeakPolarHBondContact O-CB 3.43Å; E352-N356 PolarHBondContact O-N 3.39Å; E352-N356 PolarHBondContact O-ND2 2.62Å
353L75.1Confident70.5Confident90 Ų9090.9 Ų90.947%0.47151%0.508SS..Hα-helixtrans-67.3-33173.9-73.5176.2000113.4I348 P349 A350 N356I348-L353 HydrophobicContact CB-CD1 4.48Å; I348-L353 HydrophobicContact CB-CD2 3.87Å; I348-L353 HydrophobicContact CB-CG 3.92Å; I348-L353 HydrophobicContact CD1-CD2 4.16Å; I348-L353 HydrophobicContact CG2-CD2 3.75Å; I348-L353 HydrophobicContact CG2-CG 3.73Å; I348-L353 WeakPolarHBondContact O-CD1 3.46Å; P349-L353 PolarHBondContact O-N 3.28Å; A350-L353 PolarHBondContact O-N 2.94Å; L353-N356 VanDerWaalsContact O-O 3.1Å
354L72.8Confident71.9Confident83 Ų8392.7 Ų92.744%0.43551%0.508SS..Hα-helixtrans-98.6-14.2-175.8-60.9171.3000112.8A350 W369 Y532A350-L354 VanDerWaalsContact O-CB 3.32Å; A350-L354 WeakPolarHBondContact O-CB 3.43Å; A350-L354 VanDerWaalsContact O-CG 3.27Å; A350-L354 WeakPolarHBondContact O-CG 3.35Å; A350-L354 PolarHBondContact O-N 3.29Å; L354-W369 WeakPolarHBondContact O-CH2 3.4Å; L354-Y532 HydrophobicContact CB-CD2 4.49Å; L354-Y532 HydrophobicContact CB-CE1 4.42Å; L354-Y532 HydrophobicContact CB-CE2 3.75Å; L354-Y532 HydrophobicContact CD1-CD1 3.57Å; L354-Y532 HydrophobicContact CD1-CD2 4.23Å; L354-Y532 HydrophobicContact CD1-CE1 3.27Å; L354-Y532 HydrophobicContact CD1-CE2 3.95Å; L354-Y532 HydrophobicContact CD1-CG 4.01Å; L354-Y532 VanDerWaalsContact CD1-CZ 3.43Å; L354-Y532 HydrophobicContact CG-CE1 4.43Å; L354-Y532 HydrophobicContact CG-CE2 4.49Å
355S75.7Confident73.4Confident53 Ų5392.6 Ų92.637%0.37150%0.5SS..SBendtrans-95.75.8168.566.40000114.4A351 W369A351-S355 WeakPolarHBondContact O-CB 3.45Å; A351-S355 PolarHBondContact O-N 3.04Å; A351-S355 PolarHBondContact O-OG 3.08Å; S355-W369 VanDerWaalsContact C-CZ3 3.4Å; S355-W369 WeakPolarHBondContact O-CZ3 3.39Å
356N78.6Confident74.9Confident45 Ų4586.2 Ų86.224%0.24147%0.471CS..SBendtrans-133.3146.2170.9-65.3-72.7000112.2E352 L353 W369 R370E352-N356 WeakPolarHBondContact O-CB 3.43Å; E352-N356 PolarHBondContact O-N 3.39Å; E352-N356 PolarHBondContact O-ND2 2.62Å; L353-N356 VanDerWaalsContact O-O 3.1Å; N356-W369 WeakPolarHBondContact O-CH2 3.25Å; N356-R370 PolarHBondContact OD1-NE 2.9Å; N356-R370 PolarHBondContact OD1-NH2 3.14Å
357P78.6Confident76.2Confident24 Ų2481.3 Ų81.316%0.15646%0.461CS..  trans-68.2142.3175.830.3-36.6000111S359 L361 L366 W369P357-S359 WeakPolarHBondContact CG-O 3.38Å; P357-S359 PolarHBondContact O-N 2.99Å; P357-L361 HydrophobicContact CB-CD1 3.62Å; P357-L361 HydrophobicContact CB-CG 3.99Å; P357-L361 HydrophobicContact CG-CB 4.41Å; P357-L361 HydrophobicContact CG-CD1 3.78Å; P357-L361 HydrophobicContact CG-CG 3.96Å; P357-L366 HydrophobicContact CG-CD1 4.4Å; P357-W369 HydrophobicContact CB-CD2 4.36Å; P357-W369 HydrophobicContact CB-CZ2 4.48Å
358C74.1Confident77.4Confident140 Ų14081 Ų8195%0.94646%0.455SS*.SBendtrans-67.97.7176.7-58.20000114.6
359S76.8Confident78.2Confident75 Ų7581.1 Ų81.152%0.52445%0.45SS..SBendtrans-151.4149.5-173.557.60000109.6P357 L361P357-S359 WeakPolarHBondContact CG-O 3.38Å; P357-S359 PolarHBondContact O-N 2.99Å; S359-L361 PolarHBondContact O-N 3.42Å
360F80.9Confident78.8Confident194 Ų19483.1 Ų83.185%0.85145%0.448SS*.  trans-59.9121.2174.7-176.9-95.7000111.1
361L82.1Confident79.4Confident38 Ų3890.2 Ų90.220%0.19947%0.465CS..  trans-116141.6172.1-64.6-177.1000109P357 S359 I365 L366 W369P357-L361 HydrophobicContact CB-CD1 3.62Å; P357-L361 HydrophobicContact CB-CG 3.99Å; P357-L361 HydrophobicContact CG-CB 4.41Å; P357-L361 HydrophobicContact CG-CD1 3.78Å; P357-L361 HydrophobicContact CG-CG 3.96Å; S359-L361 PolarHBondContact O-N 3.42Å; L361-I365 HydrophobicContact CD1-CG2 4.15Å; L361-L366 HydrophobicContact CB-CB 4.17Å; L361-W369 HydrophobicContact CD1-CB 4.37Å; L361-W369 HydrophobicContact CD1-CG 4.3Å
362P85.9Confident79.6Confident61 Ų6192 Ų9240%0.39648%0.479SS..  trans-54.4146.7167.5-24.334000111.8E364 I365 L366P362-E364 WeakPolarHBondContact CB-OE2 3.43Å; P362-E364 PolarHBondContact O-N 3.16Å; P362-E364 VanDerWaalsContact O-N 3.15Å; P362-I365 HydrophobicContact CG-CD1 4.35Å; P362-I365 PolarHBondContact O-N 3.17Å; P362-L366 WeakPolarHBondContact O-CB 3.27Å; P362-L366 PolarHBondContact O-N 3.44Å
363E83.9Confident79.5Confident124 Ų12488.3 Ų88.358%0.57947%0.467SS*.Hα-helixtrans-56.8-35.7-170.9-168.359.2-146.500112.7I365 L366 S367E363-I365 VanDerWaalsContact C-N 3.33Å; E363-I365 PolarHBondContact O-N 2.91Å; E363-L366 PolarHBondContact O-N 3.35Å; E363-S367 WeakPolarHBondContact O-CB 3.37Å; E363-S367 PolarHBondContact O-N 3.32Å; E363-S367 PolarHBondContact O-OG 3.38Å
364E85.4Confident79.2Confident138 Ų13888.6 Ų88.665%0.64547%0.472SS*.Hα-helixtrans-61.8-41.2177.2-56.281.1-178.900111.6P362 S367 L368P362-E364 WeakPolarHBondContact CB-OE2 3.43Å; P362-E364 PolarHBondContact O-N 3.16Å; P362-E364 VanDerWaalsContact O-N 3.15Å; E364-S367 PolarHBondContact O-OG 2.83Å; E364-L368 WeakPolarHBondContact O-CG 3.44Å
365I83.6Confident78.8Confident90 Ų9088.7 Ų88.746%0.46247%0.472SS..Hα-helixtrans-79.4-38.9179.3-56.1-178.6000110.2L361 P362 E363 S367 L368 W369L361-I365 HydrophobicContact CD1-CG2 4.15Å; P362-I365 HydrophobicContact CG-CD1 4.35Å; P362-I365 PolarHBondContact O-N 3.17Å; E363-I365 VanDerWaalsContact C-N 3.33Å; E363-I365 PolarHBondContact O-N 2.91Å; I365-S367 VanDerWaalsContact C-N 3.32Å; I365-S367 PolarHBondContact O-N 3.34Å; I365-L368 PolarHBondContact O-N 3.1Å; I365-W369 WeakPolarHBondContact O-CB 3.28Å; I365-W369 PolarHBondContact O-N 3.48Å
366L83.1Confident78.2Confident23 Ų2391.2 Ų91.212%0.1249%0.485CS..Hα-helixtrans-62.3-38.8178.8-173.5150.8000111.6P357 L361 P362 E363 W369 R370P357-L366 HydrophobicContact CG-CD1 4.4Å; L361-L366 HydrophobicContact CB-CB 4.17Å; P362-L366 WeakPolarHBondContact O-CB 3.27Å; P362-L366 PolarHBondContact O-N 3.44Å; E363-L366 PolarHBondContact O-N 3.35Å; L366-W369 PolarHBondContact O-N 2.91Å; L366-R370 HydrophobicContact CD2-CG 4.34Å; L366-R370 VanDerWaalsContact CD2-CZ 3.45Å; L366-R370 WeakPolarHBondContact O-CB 3.38Å; L366-R370 WeakPolarHBondContact O-CG 3.32Å; L366-R370 PolarHBondContact O-N 3.23Å
367S81.3Confident77.1Confident55 Ų5594.1 Ų94.139%0.38551%0.506SS..Hα-helixtrans-65.2-39.3174.174.60000113.2E363 E364 I365 R371E363-S367 WeakPolarHBondContact O-CB 3.37Å; E363-S367 PolarHBondContact O-N 3.32Å; E363-S367 PolarHBondContact O-OG 3.38Å; E364-S367 PolarHBondContact O-OG 2.83Å; I365-S367 VanDerWaalsContact C-N 3.32Å; I365-S367 PolarHBondContact O-N 3.34Å; S367-R371 WeakPolarHBondContact O-CG 3.48Å; S367-R371 PolarHBondContact O-N 2.93Å; S367-R371 VanDerWaalsContact O-N 3.12Å
368L82.3Confident76Confident107 Ų10798.4 Ų98.456%0.5653%0.527SS*.Hα-helixtrans-69.5-41175.1-68.8173.6000111.6E364 I365 R371 A372E364-L368 WeakPolarHBondContact O-CG 3.44Å; I365-L368 PolarHBondContact O-N 3.1Å; L368-R371 PolarHBondContact O-N 3.38Å; L368-A372 PolarHBondContact O-N 3.33Å
369W83Confident74.9Confident89 Ų8996.5 Ų96.534%0.33752%0.516SS..Hα-helixtrans-63.5-46.9176.4-173.396.8000110.8L354 S355 N356 P357 L361 I365 L366 R371 A372 A373L354-W369 WeakPolarHBondContact O-CH2 3.4Å; S355-W369 VanDerWaalsContact C-CZ3 3.4Å; S355-W369 WeakPolarHBondContact O-CZ3 3.39Å; N356-W369 WeakPolarHBondContact O-CH2 3.25Å; P357-W369 HydrophobicContact CB-CD2 4.36Å; P357-W369 HydrophobicContact CB-CZ2 4.48Å; L361-W369 HydrophobicContact CD1-CB 4.37Å; L361-W369 HydrophobicContact CD1-CG 4.3Å; I365-W369 WeakPolarHBondContact O-CB 3.28Å; I365-W369 PolarHBondContact O-N 3.48Å; L366-W369 PolarHBondContact O-N 2.91Å; W369-R371 VanDerWaalsContact C-N 3.31Å; W369-R371 PolarHBondContact O-N 3.1Å; W369-A372 CarbonylContact O-C 3.54Å; W369-A372 WeakPolarHBondContact O-CA 3.5Å; W369-A372 PolarHBondContact O-N 3.15Å; W369-A373 HydrophobicContact CD2-CB 4.5Å; W369-A373 HydrophobicContact CE3-CB 3.92Å; W369-A373 HydrophobicContact CH2-CB 3.84Å; W369-A373 HydrophobicContact CZ2-CB 4.45Å; W369-A373 HydrophobicContact CZ3-CB 3.51Å; W369-A373 WeakPolarHBondContact O-CB 3.29Å; W369-A373 PolarHBondContact O-N 3.22Å
370R81.3Confident74.2Confident114 Ų11495.5 Ų95.543%0.4352%0.517SS..Hα-helixtrans-60.6-38175.9-80-175.1176.5152.9-0112.6N356 L366 A372 A373 V374N356-R370 PolarHBondContact OD1-NE 2.9Å; N356-R370 PolarHBondContact OD1-NH2 3.14Å; L366-R370 HydrophobicContact CD2-CG 4.34Å; L366-R370 VanDerWaalsContact CD2-CZ 3.45Å; L366-R370 WeakPolarHBondContact O-CB 3.38Å; L366-R370 WeakPolarHBondContact O-CG 3.32Å; L366-R370 PolarHBondContact O-N 3.23Å; R370-A372 PolarHBondContact O-N 2.95Å; R370-A373 PolarHBondContact O-N 3.44Å; R370-V374 WeakPolarHBondContact O-CG2 3.4Å; R370-V374 PolarHBondContact O-N 3.03Å
371R78.8Confident72.6Confident198 Ų19890.8 Ų90.875%0.74751%0.506SS*.Hα-helixtrans-62.8-28.5173.3-78.4173.358.5175.5-1.9113.6S367 L368 W369S367-R371 WeakPolarHBondContact O-CG 3.48Å; S367-R371 PolarHBondContact O-N 2.93Å; S367-R371 VanDerWaalsContact O-N 3.12Å; L368-R371 PolarHBondContact O-N 3.38Å; W369-R371 VanDerWaalsContact C-N 3.31Å; W369-R371 PolarHBondContact O-N 3.1Å
372A74.9Confident70.9Confident87 Ų8793.7 Ų93.772%0.71952%0.522SS*.Hα-helixtrans-89.6-21.217600000113.3L368 W369 R370 V374L368-A372 PolarHBondContact O-N 3.33Å; W369-A372 CarbonylContact O-C 3.54Å; W369-A372 WeakPolarHBondContact O-CA 3.5Å; W369-A372 PolarHBondContact O-N 3.15Å; R370-A372 PolarHBondContact O-N 2.95Å; A372-V374 VanDerWaalsContact C-N 3.3Å
373A71.6Confident69.2Low27 Ų2797.4 Ų97.422%0.22354%0.538CS..SBendtrans-842.1177.800000114W369 R370 I375W369-A373 HydrophobicContact CD2-CB 4.5Å; W369-A373 HydrophobicContact CE3-CB 3.92Å; W369-A373 HydrophobicContact CH2-CB 3.84Å; W369-A373 HydrophobicContact CZ2-CB 4.45Å; W369-A373 HydrophobicContact CZ3-CB 3.51Å; W369-A373 WeakPolarHBondContact O-CB 3.29Å; W369-A373 PolarHBondContact O-N 3.22Å; R370-A373 PolarHBondContact O-N 3.44Å; A373-I375 PolarHBondContact O-N 2.84Å
374V69.2Low67.5Low96 Ų9698.2 Ų98.258%0.58254%0.541SS*.  trans-72.9111.8171.9-177.80000109.1R370 A372 T376R370-V374 WeakPolarHBondContact O-CG2 3.4Å; R370-V374 PolarHBondContact O-N 3.03Å; A372-V374 VanDerWaalsContact C-N 3.3Å; V374-T376 PolarHBondContact O-N 3.37Å; V374-T376 VanDerWaalsContact O-N 3.1Å
375I63.8Low65.6Low85 Ų8596.2 Ų96.244%0.43654%0.538SS..  trans-69.5104.3161.4-63.7-173.7000107.5A373 P377 P531 Y532A373-I375 PolarHBondContact O-N 2.84Å; I375-P377 VanDerWaalsContact O-CD 3.31Å; I375-P377 WeakPolarHBondContact O-CD 3.46Å; I375-P531 HydrophobicContact CB-CB 4.3Å; I375-P531 HydrophobicContact CD1-CB 4.33Å; I375-P531 HydrophobicContact CG2-CB 4.44Å; I375-Y532 HydrophobicContact CD1-CD1 4.5Å; I375-Y532 HydrophobicContact CD1-CE1 3.63Å; I375-Y532 HydrophobicContact CD1-CE2 3.89Å; I375-Y532 VanDerWaalsContact CD1-OH 3.25Å; I375-Y532 WeakPolarHBondContact CD1-OH 3.36Å
376T63.6Low63.9Low105 Ų10595.5 Ų95.564%0.64455%0.553SS**  trans-73.7116164.2-54.40000108.1V374 L378V374-T376 PolarHBondContact O-N 3.37Å; V374-T376 VanDerWaalsContact O-N 3.1Å; T376-L378 PolarHBondContact O-N 3.12Å
377P55.9Low62.2Low106 Ų106100.6 Ų100.669%0.68858%0.58SS**  trans-64.8122.8173.826.3-32.5000109.3I375 S379I375-P377 VanDerWaalsContact O-CD 3.31Å; I375-P377 WeakPolarHBondContact O-CD 3.46Å; P377-S379 PolarHBondContact O-N 3.36Å
378L55.4Low60.6Low114 Ų114108.4 Ų108.460%0.59760%0.602SS**  trans-70103.3176.6-63.7176.3000108.9T376T376-L378 PolarHBondContact O-N 3.12Å
379S50.6Low58.8Low101 Ų101105.9 Ų105.971%0.70660%0.601SS**  trans-65.5133.1165.1-66.50000108.9P377P377-S379 PolarHBondContact O-N 3.36Å
380G62.6Low56.9Low54 Ų54106.9 Ų106.956%0.55762%0.619SS**THydrogen-bonded Turntrans-53145.517400000111
381P46.2Very low55.2Low95 Ų95111.2 Ų111.262%0.61764%0.644SS**THydrogen-bonded Turncis-973.233.636.1-37.9000117.5L383 Q384P381-L383 PolarHBondContact O-N 2.88Å; P381-Q384 PolarHBondContact O-N 3.2Å
382D46.9Very low53.9Low98 Ų98107 Ų10752%0.52465%0.645SS.*G310 helixtrans-64.9-9-175-69.1-21.5000114.8Q384 V385D382-Q384 PolarHBondContact O-N 3.26Å; D382-V385 VanDerWaalsContact O-CG2 3.24Å; D382-V385 WeakPolarHBondContact O-CG2 3.42Å
383L48.8Very low52.6Low140 Ų140106.4 Ų106.473%0.73363%0.632SS**G310 helixtrans-71.5-9170.3-66.4170.5000113.5P381 V385P381-L383 PolarHBondContact O-N 2.88Å; L383-V385 VanDerWaalsContact C-N 3.3Å; L383-V385 PolarHBondContact O-N 3.36Å
384Q48.6Very low51.4Low141 Ų141111.3 Ų111.366%0.65966%0.655SS**G310 helixtrans-85.69.6176.6-63.7-171.728.100114.6P381 D382 G386 D387 R388P381-Q384 PolarHBondContact O-N 3.2Å; D382-Q384 PolarHBondContact O-N 3.26Å; Q384-G386 PolarHBondContact O-N 3.1Å; Q384-D387 PolarHBondContact O-N 3Å; Q384-R388 PolarHBondContact O-N 3.49Å
385V47Very low50.6Low96 Ų96110.4 Ų110.458%0.58265%0.653SS**G310 helixtrans-58.8-14.4176.41690000113.3D382 L383D382-V385 VanDerWaalsContact O-CG2 3.24Å; D382-V385 WeakPolarHBondContact O-CG2 3.42Å; L383-V385 VanDerWaalsContact C-N 3.3Å; L383-V385 PolarHBondContact O-N 3.36Å
386G46.8Very low50Low75 Ų75112.9 Ų112.977%0.77366%0.663SS**G310 helixtrans-68.7-26.5169.200000115.6Q384Q384-G386 PolarHBondContact O-N 3.1Å
387D47.5Very low49.7Very low129 Ų129115.3 Ų115.369%0.6966%0.66SS**THydrogen-bonded Turntrans-111.6-5.6-176.3-72.5-34.2000113.5Q384 K522Q384-D387 PolarHBondContact O-N 3Å; D387-K522 IonicContact OD2-NZ 2.7Å
388R48.9Very low49.9Very low220 Ų220115.8 Ų115.883%0.8365%0.653SS**SBendtrans-136.298.4159.7-70.7-167.6-169.5-179.45.5110.5Q384Q384-R388 PolarHBondContact O-N 3.49Å
389G43.5Very low50.1Low53 Ų53118.1 Ų118.155%0.54665%0.654SS.*  trans-67160.6169.100000112
390P42.1Very low50.4Low111 Ų111119.9 Ų119.972%0.72165%0.651SS**  trans-60.2139.4169.527.8-34.2000109.9S392P390-S392 VanDerWaalsContact C-N 3.29Å; P390-S392 PolarHBondContact O-N 3.24Å
391E46.6Very low50.7Low205 Ų205125.3 Ų125.396%0.95866%0.655SS**SBendtrans-67.478.6-176.1-63.4-179.7157.700111.9
392S51.9Low51.8Low109 Ų109126.4 Ų126.476%0.76265%0.651SS**  trans-160.937.3176.8-1410000115.1P390P390-S392 VanDerWaalsContact C-N 3.29Å; P390-S392 PolarHBondContact O-N 3.24Å
393T46.8Very low52.9Low74 Ų74124.4 Ų124.445%0.45465%0.649SS.*  trans-137.47.5176.555.60000116.2R397T393-R397 PolarHBondContact O-N 3.06Å
394D47.3Very low53.7Low131 Ų131124.6 Ų124.670%0.70165%0.648SS**Hα-helixtrans-68.9-42175.4-80.7-29.2000111.7E396 R397 E398D394-E396 PolarHBondContact O-N 2.88Å; D394-E396 VanDerWaalsContact O-N 3.14Å; D394-R397 PolarHBondContact O-N 3.44Å; D394-E398 WeakPolarHBondContact O-CB 3.34Å; D394-E398 PolarHBondContact O-N 2.99Å
395S51.5Low54.7Low76 Ų76124.9 Ų124.953%0.53165%0.649SS.*Hα-helixtrans-67.7-14.3179.6-1690000115R399S395-R399 VanDerWaalsContact O-CB 3.25Å; S395-R399 WeakPolarHBondContact O-CB 3.34Å; S395-R399 PolarHBondContact O-NE 3.04Å; S395-R399 PolarHBondContact OG-NH2 3.09Å
396E52.2Low55.9Low138 Ų138127.2 Ų127.265%0.64565%0.654SS**Hα-helixtrans-93.6-44.8175-166.7168.1-167.800110.9D394 R399 E400D394-E396 PolarHBondContact O-N 2.88Å; D394-E396 VanDerWaalsContact O-N 3.14Å; E396-R399 PolarHBondContact O-N 2.95Å; E396-E400 PolarHBondContact O-N 3.39Å
397R55.9Low56.9Low155 Ų155126.3 Ų126.359%0.58564%0.639SS**Hα-helixtrans-69.7-31.5175-79.7-177.8161.1179.9-2.5114T393 D394 R401T393-R397 PolarHBondContact O-N 3.06Å; D394-R397 PolarHBondContact O-N 3.44Å; R397-R401 WeakPolarHBondContact O-CD 3.38Å; R397-R401 VanDerWaalsContact O-CG 3.26Å; R397-R401 WeakPolarHBondContact O-CG 3.26Å; R397-R401 PolarHBondContact O-N 3.22Å; R397-R401 VanDerWaalsContact O-N 3.17Å
398E60.5Low58Low117 Ų117122.1 Ų122.155%0.54762%0.622SS.*Hα-helixtrans-68.2-43.7172.2-171.3162.5-131.400110D394 E400 R401 E402D394-E398 WeakPolarHBondContact O-CB 3.34Å; D394-E398 PolarHBondContact O-N 2.99Å; E398-E400 PolarHBondContact O-N 2.9Å; E398-R401 CarbonylContact O-C 3.6Å; E398-R401 WeakPolarHBondContact O-CB 3.32Å; E398-R401 PolarHBondContact O-N 2.89Å; E398-R401 VanDerWaalsContact O-N 3.09Å; E398-E402 WeakPolarHBondContact O-CG 3.43Å; E398-E402 PolarHBondContact O-N 3.32Å
399R59.3Low59.1Low162 Ų162114 Ų11461%0.61160%0.602SS**Hα-helixtrans-66.9-35.1177.2-164-174.1-51-122.9-0.5113.5S395 E396 A403S395-R399 VanDerWaalsContact O-CB 3.25Å; S395-R399 WeakPolarHBondContact O-CB 3.34Å; S395-R399 PolarHBondContact O-NE 3.04Å; S395-R399 PolarHBondContact OG-NH2 3.09Å; E396-R399 PolarHBondContact O-N 2.95Å; R399-A403 VanDerWaalsContact O-CB 3.25Å; R399-A403 WeakPolarHBondContact O-CB 3.44Å; R399-A403 PolarHBondContact O-N 3.39Å
400E58.5Low60.2Low138 Ų138118.1 Ų118.165%0.64561%0.607SS**Hα-helixtrans-64.1-39.4168.9-86.9-167.3136.800112.1E396 E398 M404E396-E400 PolarHBondContact O-N 3.39Å; E398-E400 PolarHBondContact O-N 2.9Å; E400-M404 WeakPolarHBondContact O-CB 3.46Å; E400-M404 PolarHBondContact O-N 3.02Å
401R68.9Low61.1Low169 Ų169119.2 Ų119.264%0.63860%0.603SS**Hα-helixtrans-68.4-44.8176.6-73.4169-175.9164.82.5111.5R397 E398 M404 Q405R397-R401 WeakPolarHBondContact O-CD 3.38Å; R397-R401 VanDerWaalsContact O-CG 3.26Å; R397-R401 WeakPolarHBondContact O-CG 3.26Å; R397-R401 PolarHBondContact O-N 3.22Å; R397-R401 VanDerWaalsContact O-N 3.17Å; E398-R401 CarbonylContact O-C 3.6Å; E398-R401 WeakPolarHBondContact O-CB 3.32Å; E398-R401 PolarHBondContact O-N 2.89Å; E398-R401 VanDerWaalsContact O-N 3.09Å; R401-M404 PolarHBondContact O-N 3.33Å; R401-Q405 VanDerWaalsContact O-CB 3.29Å; R401-Q405 WeakPolarHBondContact O-CB 3.48Å; R401-Q405 PolarHBondContact O-N 2.95Å
402E69.1Low61.7Low117 Ų117115.8 Ų115.855%0.54759%0.587SS.*Hα-helixtrans-59-48.4174.4-72.5-178.614900110.8E398 M404 Q405 E406E398-E402 WeakPolarHBondContact O-CG 3.43Å; E398-E402 PolarHBondContact O-N 3.32Å; E402-M404 VanDerWaalsContact C-N 3.33Å; E402-M404 PolarHBondContact O-N 3.44Å; E402-Q405 CarbonylContact O-C 3.6Å; E402-Q405 PolarHBondContact O-N 3.11Å; E402-Q405 VanDerWaalsContact O-N 3.12Å; E402-E406 WeakPolarHBondContact O-CB 3.36Å; E402-E406 PolarHBondContact O-N 3.48Å
403A69.1Low62.2Low57 Ų57119.5 Ų119.547%0.47158%0.584SS.*Hα-helixtrans-61.3-38.217700000113R399 A407R399-A403 VanDerWaalsContact O-CB 3.25Å; R399-A403 WeakPolarHBondContact O-CB 3.44Å; R399-A403 PolarHBondContact O-N 3.39Å; A403-A407 VanDerWaalsContact O-CB 3.3Å; A403-A407 WeakPolarHBondContact O-CB 3.34Å; A403-A407 PolarHBondContact O-N 3.15Å
404M66.3Low62.6Low143 Ų143118.7 Ų118.770%0.70458%0.584SS**Hα-helixtrans-73.7-27.6176.6-165164.469.100112.5E400 R401 E402 A408E400-M404 WeakPolarHBondContact O-CB 3.46Å; E400-M404 PolarHBondContact O-N 3.02Å; R401-M404 PolarHBondContact O-N 3.33Å; E402-M404 VanDerWaalsContact C-N 3.33Å; E402-M404 PolarHBondContact O-N 3.44Å; M404-A408 WeakPolarHBondContact O-CB 3.46Å; M404-A408 PolarHBondContact O-N 2.93Å; M404-A408 VanDerWaalsContact O-N 3.15Å
405Q69.5Low62.9Low148 Ų148117 Ų11769%0.69258%0.576SS**Hα-helixtrans-80.3-34.2175.9-152.5164.226.400111.8R401 E402 A409R401-Q405 VanDerWaalsContact O-CB 3.29Å; R401-Q405 WeakPolarHBondContact O-CB 3.48Å; R401-Q405 PolarHBondContact O-N 2.95Å; E402-Q405 CarbonylContact O-C 3.6Å; E402-Q405 PolarHBondContact O-N 3.11Å; E402-Q405 VanDerWaalsContact O-N 3.12Å; Q405-A409 WeakPolarHBondContact O-CB 3.48Å; Q405-A409 PolarHBondContact O-N 2.95Å
406E71.1Confident63Low144 Ų144120.3 Ų120.367%0.67358%0.583SS**Hα-helixtrans-68.3-45172.1-170.5165.7-148.800111E402 A408 A409 E410E402-E406 WeakPolarHBondContact O-CB 3.36Å; E402-E406 PolarHBondContact O-N 3.48Å; E406-A408 VanDerWaalsContact C-N 3.35Å; E406-A408 PolarHBondContact O-N 3.39Å; E406-A409 PolarHBondContact O-N 3.13Å; E406-E410 WeakPolarHBondContact O-CB 3.31Å; E406-E410 PolarHBondContact O-N 2.94Å
407A68.6Low62.9Low56 Ų56119.6 Ų119.646%0.46359%0.588SS.*Hα-helixtrans-60-41.6172.800000112.6A403 E410 E411A403-A407 VanDerWaalsContact O-CB 3.3Å; A403-A407 WeakPolarHBondContact O-CB 3.34Å; A403-A407 PolarHBondContact O-N 3.15Å; A407-E410 PolarHBondContact O-N 3.4Å; A407-E411 WeakPolarHBondContact O-CB 3.49Å; A407-E411 PolarHBondContact O-N 2.9Å
408A70.1Confident62.6Low41 Ų41116.9 Ų116.934%0.33959%0.592SS.*Hα-helixtrans-67.6-34.7175.700000112.8M404 E406 Q412M404-A408 WeakPolarHBondContact O-CB 3.46Å; M404-A408 PolarHBondContact O-N 2.93Å; M404-A408 VanDerWaalsContact O-N 3.15Å; E406-A408 VanDerWaalsContact C-N 3.35Å; E406-A408 PolarHBondContact O-N 3.39Å; A408-Q412 WeakPolarHBondContact O-CG 3.48Å; A408-Q412 PolarHBondContact O-N 3.43Å
409A72.8Confident61.8Low50 Ų50116.8 Ų116.841%0.41360%0.6SS.*Hα-helixtrans-72.1-33174.600000112.4Q405 E406 Q412 R413Q405-A409 WeakPolarHBondContact O-CB 3.48Å; Q405-A409 PolarHBondContact O-N 2.95Å; E406-A409 PolarHBondContact O-N 3.13Å; A409-Q412 PolarHBondContact O-N 2.71Å; A409-R413 PolarHBondContact O-N 3.37Å
410E66.3Low60.9Low139 Ų139117.6 Ų117.665%0.6561%0.611SS**Hα-helixtrans-70.1-41173.4-169167.4-156.500111.5E406 A407 Q412 R413 A414E406-E410 WeakPolarHBondContact O-CB 3.31Å; E406-E410 PolarHBondContact O-N 2.94Å; A407-E410 PolarHBondContact O-N 3.4Å; E410-Q412 VanDerWaalsContact C-N 3.34Å; E410-Q412 PolarHBondContact O-N 3.37Å; E410-R413 PolarHBondContact O-N 3.13Å; E410-A414 WeakPolarHBondContact O-CB 3.41Å; E410-A414 PolarHBondContact O-N 3.34Å
411E61.6Low59.8Low134 Ų134117.8 Ų117.863%0.62662%0.621SS**Hα-helixtrans-62.2-38.4171.7-171.7177.7-177.400112.2A407 A414 N415A407-E411 WeakPolarHBondContact O-CB 3.49Å; A407-E411 PolarHBondContact O-N 2.9Å; E411-A414 PolarHBondContact O-N 3.18Å; E411-N415 PolarHBondContact O-N 2.97Å; E411-N415 VanDerWaalsContact O-N 3.15Å; E411-N415 PolarHBondContact O-ND2 2.89Å; E411-N415 VanDerWaalsContact O-ND2 3.13Å
412Q58.3Low58Low133 Ų133121 Ų12162%0.62163%0.633SS**Hα-helixtrans-66.3-43.2173.1-76.3176.5-11.100112.1A408 A409 E410 A414 N415 E416A408-Q412 WeakPolarHBondContact O-CG 3.48Å; A408-Q412 PolarHBondContact O-N 3.43Å; A409-Q412 PolarHBondContact O-N 2.71Å; E410-Q412 VanDerWaalsContact C-N 3.34Å; E410-Q412 PolarHBondContact O-N 3.37Å; Q412-A414 PolarHBondContact O-N 3.48Å; Q412-N415 PolarHBondContact O-N 3.4Å; Q412-E416 PolarHBondContact O-N 3.44Å
413R63Low56.8Low188 Ų188121.3 Ų121.371%0.70965%0.645SS**Hα-helixtrans-60.8-40.6172.9-90.8-175.1176.7148.11.8113.1A409 E410 N415 E416 V417A409-R413 PolarHBondContact O-N 3.37Å; E410-R413 PolarHBondContact O-N 3.13Å; R413-N415 VanDerWaalsContact C-N 3.29Å; R413-N415 PolarHBondContact O-N 2.87Å; R413-E416 PolarHBondContact O-N 3.02Å; R413-V417 WeakPolarHBondContact O-CB 3.24Å; R413-V417 WeakPolarHBondContact O-CG2 3.28Å; R413-V417 PolarHBondContact O-N 3.37Å
414A55.6Low54.7Low56 Ų56122 Ų12246%0.46366%0.658SS.*Hα-helixtrans-63.5-37.1178.500000111.9E410 E411 Q412 S418E410-A414 WeakPolarHBondContact O-CB 3.41Å; E410-A414 PolarHBondContact O-N 3.34Å; E411-A414 PolarHBondContact O-N 3.18Å; Q412-A414 PolarHBondContact O-N 3.48Å; A414-S418 WeakPolarHBondContact O-CB 3.45Å; A414-S418 PolarHBondContact O-N 3.5Å; A414-S418 PolarHBondContact O-OG 3.12Å
415N53.2Low52.9Low97 Ų97121.6 Ų121.652%0.51966%0.663SS.*Hα-helixtrans-72.9-38174.7-77.5-44.2000113.2E411 Q412 R413 S418 T419E411-N415 PolarHBondContact O-N 2.97Å; E411-N415 VanDerWaalsContact O-N 3.15Å; E411-N415 PolarHBondContact O-ND2 2.89Å; E411-N415 VanDerWaalsContact O-ND2 3.13Å; Q412-N415 PolarHBondContact O-N 3.4Å; R413-N415 VanDerWaalsContact C-N 3.29Å; R413-N415 PolarHBondContact O-N 2.87Å; N415-S418 PolarHBondContact O-N 3.36Å; N415-T419 PolarHBondContact O-OG1 3Å
416E52.6Low50.8Low144 Ų144119.9 Ų119.967%0.67367%0.668SS**Hα-helixtrans-65.4-45.6175.1-74-176.3162.300112Q412 R413 S418 T419Q412-E416 PolarHBondContact O-N 3.44Å; R413-E416 PolarHBondContact O-N 3.02Å; E416-S418 PolarHBondContact O-N 3.01Å; E416-T419 PolarHBondContact O-N 3.35Å
417V51.1Low48.8Very low124 Ų124117 Ų11775%0.75267%0.668SS**Hα-helixtrans-61-30.1175.2170.20000112.1R413 T419R413-V417 WeakPolarHBondContact O-CB 3.24Å; R413-V417 WeakPolarHBondContact O-CG2 3.28Å; R413-V417 PolarHBondContact O-N 3.37Å; V417-T419 PolarHBondContact O-N 3.36Å
418S49.4Very low46.8Very low98 Ų98119.6 Ų119.669%0.68568%0.683SS**THydrogen-bonded Turntrans-75.4-6.5176.7-60.70000114.3A414 N415 E416A414-S418 WeakPolarHBondContact O-CB 3.45Å; A414-S418 PolarHBondContact O-N 3.5Å; A414-S418 PolarHBondContact O-OG 3.12Å; N415-S418 PolarHBondContact O-N 3.36Å; E416-S418 PolarHBondContact O-N 3.01Å
419T43.3Very low44.9Very low114 Ų114123.2 Ų123.270%0.69970%0.701SS**THydrogen-bonded Turntrans-104.3-7.3-171.3-54.40000113.9N415 E416 V417 V421N415-T419 PolarHBondContact O-OG1 3Å; E416-T419 PolarHBondContact O-N 3.35Å; V417-T419 PolarHBondContact O-N 3.36Å; T419-V421 PolarHBondContact O-N 3.48Å
420E39.6Very low42.8Very low180 Ų180127.6 Ų127.684%0.84172%0.718SS**  trans-98.746.1-176.3-154.4172.2164.400115.1
421V35.6Very low41Very low141 Ų141128.4 Ų128.486%0.85572%0.721SS**  trans-139.7120.4158.9-172.70000111.8T419T419-V421 PolarHBondContact O-N 3.48Å
422R31.8Very low39.5Very low236 Ų236129 Ų12989%0.89173%0.728SS**  trans-152.5164173.1-101.4-175.6166.4154.4-2.4109
423P43.6Very low38Very low124 Ų124126.2 Ų126.281%0.80573%0.728SS**  cis-130.8169.6-30.137.4-21.9000112.9
424G25.1Very low36.3Very low73 Ų73123.4 Ų123.475%0.75374%0.736SS**  trans-15448.7-171.200000119.7
425V28.3Very low34.9Very low133 Ų133126.7 Ų126.781%0.80675%0.75SS**  trans49.2122.3148-172.30000121.5
426S26.8Very low33.6Very low113 Ų113129.5 Ų129.579%0.7976%0.764SS**  trans71.1146.6154.271.80000119.8
427A27.6Very low32.6Very low83 Ų83130.7 Ų130.769%0.68677%0.774SS**  cis-167162.9-17.600000111.3
428S26.8Very low31.5Very low110 Ų110130.3 Ų130.377%0.76977%0.774SS**  trans72.2141.8165.581.80000117.5
429T30.5Very low30.5Very low118 Ų118132 Ų13272%0.72478%0.78SS**  cis-161150.6-179.90000109.5
430N29.2Very low29.7Very low141 Ų141132.2 Ų132.275%0.75479%0.786SS**  trans76.7117165-53-6.9000117.1
431E28.8Very low29Very low156 Ų156135 Ų13573%0.72979%0.789SS**  72.9123.950.8-62.7-83.7116.200111
432L29.4Very low28.5Very low147 Ų147133.4 Ų133.477%0.7778%0.784SS**  cis-161172.78.8-83.2144.3000107.3
433A26.3Very low28.2Very low74 Ų74129 Ų12961%0.61278%0.784SS**  cis-169.2151.4-28.300000108.7
434C27.6Very low27.4Very low130 Ų130129.6 Ų129.688%0.87879%0.785SS**  trans-80.5136.1163-64.10000109.6
435V25.9Very low27.3Very low125 Ų125131.1 Ų131.176%0.75878%0.783SS**  trans-133.798.1166.1-177.60000110.7
436L26.1Very low27.2Very low156 Ų156130.7 Ų130.782%0.81778%0.782SS**  trans42.9127.2134.1-56.5171.3000120.3
437L32.5Very low27.1Very low168 Ų168130.2 Ų130.288%0.8878%0.784SS**  trans-51.2154.1150.6-66.9166000111.3
438P27.4Very low27Very low116 Ų116132.7 Ų132.775%0.75379%0.785SS**  trans-126.2135.713334.6-27.3000113
439V28.3Very low27.2Very low135 Ų135137 Ų13782%0.81879%0.793SS**  trans-63.3138.6159.7169.30000109
440S26.3Very low26.9Very low117 Ų117136.9 Ų136.982%0.81879%0.788SS**  trans-149.6144.6160.7-82.60000111.6
441R25.2Very low26.9Very low239 Ų239137.3 Ų137.390%0.90279%0.789SS**  trans-90.6145.6-172.6-73.7169.9155.9173.5-8.1111.9
442S25.5Very low27.3Very low107 Ų107135.1 Ų135.175%0.74879%0.788SS**  trans43.9119.5143.3-166.50000120.1
443T24.2Very low27.5Very low145 Ų145136.4 Ų136.489%0.8979%0.79SS**  trans-156.8148.6130.57.20000110.8
444V26.7Very low27.4Very low136 Ų136137.8 Ų137.882%0.82480%0.801SS**  trans-93.3133.9179.1173.70000109.6
445S23.8Very low27.6Very low104 Ų104136.9 Ų136.973%0.72779%0.792SS**  trans-172.6117.7133.4-157.20000114.2
446T25.7Very low27.6Very low125 Ų125137.4 Ų137.477%0.76779%0.79SS**  25.9119.4129.2-11.40000121
447A25Very low28Very low102 Ų102138.4 Ų138.484%0.84379%0.791SS**  trans-159.7123.7136.800000111.2
448L26.2Very low27.8Very low135 Ų135140 Ų14071%0.70779%0.785SS**  trans-76.3149.3173.4-92.7143000112.2
449Q30.1Very low27.9Very low202 Ų202141.5 Ų141.594%0.94479%0.785SS**  trans-158.6145.2136.1-115.7158.778.400111.3
450D25.4Very low28Very low114 Ų114142.9 Ų142.961%0.6178%0.783SS**  trans-106142.5-154.1-68-69000115
451I27.7Very low28.7Very low151 Ų151145.9 Ų145.977%0.77478%0.784SS**  62.7153128.1-60.8173000118.8
452P38.4Very low28.9Very low109 Ų109141.6 Ų141.671%0.70878%0.778SS**  cis-122.2153.1-4.724.2-2.6000116.7
453E32.4Very low29.2Very low175 Ų175141.4 Ų141.482%0.81878%0.783SS**  2.1127.2124-161164.8-134.200119.3V455E453-V455 HydrophobicContact CG-CG2 4.27Å
454A25.7Very low29.9Very low102 Ų102138 Ų13884%0.84376%0.762SS**  trans-139.3108.4158.900000108.9
455V31.8Very low30.3Very low112 Ų112140.5 Ų140.568%0.67977%0.765SS**  trans-79.5131.6175.3-174.50000108.6E453 E457E453-V455 HydrophobicContact CG-CG2 4.27Å; V455-E457 HydrophobicContact CG1-CG 3.96Å
456D25.3Very low31.1Very low135 Ų135137.9 Ų137.972%0.72275%0.746SS**  trans-132.598.9165.5-159.4-4.5000109.9R458D456-R458 PolarHBondContact O-N 2.95Å; D456-R458 VanDerWaalsContact O-N 3.15Å
457E35Very low31.7Very low178 Ų178134.6 Ų134.683%0.83273%0.727SS**  trans-78.485.8178.7-65-173.1131.500110.9V455V455-E457 HydrophobicContact CG1-CG 3.96Å
458R28.2Very low32.3Very low200 Ų200136.6 Ų136.676%0.75571%0.713SS**  trans-133.772.3169.4-67.4-169.3-180-117.7-5.8113.1D456 E460D456-R458 PolarHBondContact O-N 2.95Å; D456-R458 VanDerWaalsContact O-N 3.15Å; R458-E460 VanDerWaalsContact C-N 3.33Å; R458-E460 PolarHBondContact O-N 3.12Å
459I29.8Very low33Very low149 Ų149135.8 Ų135.876%0.76470%0.704SS**  trans-81.184.4158.5-56.4178.2000107.3
460E29.6Very low33.6Very low163 Ų163126.6 Ų126.676%0.76266%0.661SS**  trans-77.4133164.1-83.8-169.6162.700110.1R458 L462R458-E460 VanDerWaalsContact C-N 3.33Å; R458-E460 PolarHBondContact O-N 3.12Å; E460-L462 PolarHBondContact O-N 3.33Å
461E41.6Very low34.6Very low180 Ų180124.4 Ų124.484%0.84165%0.649SS**  trans-62.7121.3-179.7-62.8174.4113.800111.6
462L28.8Very low35.4Very low150 Ų150121.6 Ų121.679%0.78564%0.635SS**  trans-126.7133.2164.2-75.6173.9000109.9E460E460-L462 PolarHBondContact O-N 3.33Å
463A31.3Very low35.7Very low103 Ų103119.2 Ų119.285%0.85162%0.616SS**  trans-57.1137.6-162.100000114.6E465A463-E465 PolarHBondContact O-N 3.08Å
464V40.4Very low36.4Very low73 Ų73112 Ų11244%0.44258%0.583SS.*  trans-86.791.8-171.2-178.20000111.2
465E34Very low37.2Very low189 Ų189110.4 Ų110.488%0.88357%0.565SS**  trans-130.640.8170.5-69.6-162.1161.300113.1A463A463-E465 PolarHBondContact O-N 3.08Å
466S41.6Very low37.9Very low49 Ų49109 Ų10934%0.34355%0.553SS.*  trans-144.3118.6174.9-178.50000112.8R468 F469 C470S466-R468 PolarHBondContact O-N 2.81Å; S466-R468 VanDerWaalsContact O-N 3.09Å; S466-R468 PolarHBondContact OG-N 3.16Å; S466-F469 WeakPolarHBondContact O-CB 3.21Å; S466-F469 PolarHBondContact O-N 3.48Å; S466-C470 PolarHBondContact O-N 3.11Å
467P37.7Very low38.8Very low56 Ų56108.3 Ų108.336%0.36454%0.541SS..Hα-helixtrans-56.4-27.1173-25.634.3000113.2F469 C470 I471P467-F469 VanDerWaalsContact C-N 3.31Å; P467-C470 PolarHBondContact O-N 2.99Å; P467-I471 WeakPolarHBondContact O-CB 3.45Å; P467-I471 WeakPolarHBondContact O-CD1 3.19Å; P467-I471 VanDerWaalsContact O-CG1 3.26Å; P467-I471 WeakPolarHBondContact O-CG1 3.49Å; P467-I471 PolarHBondContact O-N 3.33Å
468R36.9Very low39.3Very low143 Ų143101.9 Ų101.954%0.5451%0.514SS..Hα-helixtrans-67.3-31.4174.7-70.1179.3166141.3-4112.3S252 S466 L472S252-R468 PolarHBondContact OG-NH2 3.4Å; S466-R468 PolarHBondContact O-N 2.81Å; S466-R468 VanDerWaalsContact O-N 3.09Å; S466-R468 PolarHBondContact OG-N 3.16Å; R468-L472 WeakPolarHBondContact O-CB 3.46Å; R468-L472 PolarHBondContact O-N 3.05Å
469F40.7Very low40.2Very low119 Ų11995.9 Ų95.952%0.52250%0.5SS..Hα-helixtrans-73.2-41.7177.4-152.2-96.4000110.9S466 P467 I471 L472 L473S466-F469 WeakPolarHBondContact O-CB 3.21Å; S466-F469 PolarHBondContact O-N 3.48Å; P467-F469 VanDerWaalsContact C-N 3.31Å; F469-I471 VanDerWaalsContact C-N 3.33Å; F469-I471 PolarHBondContact O-N 3.46Å; F469-L472 PolarHBondContact O-N 2.73Å; F469-L473 WeakPolarHBondContact O-CB 3.4Å; F469-L473 PolarHBondContact O-N 3.29Å
470C42.7Very low40.8Very low8 Ų897.6 Ų97.65%0.05450%0.497CS..Hα-helixtrans-62.9-39.2172.5-47.90000112.2S466 P467 L473 L474 T507S466-C470 PolarHBondContact O-N 3.11Å; P467-C470 PolarHBondContact O-N 2.99Å; C470-L473 PolarHBondContact O-N 3.44Å; C470-L474 PolarHBondContact O-N 2.93Å; C470-L474 VanDerWaalsContact O-N 3.07Å; C470-T507 HydrophobicContact CB-CG2 3.89Å; C470-T507 VanDerWaalsContact SG-CG2 3.57Å; C470-T507 PolarHBondContact SG-OG1 2.89Å
471I47.8Very low41.5Very low69 Ų6992.6 Ų92.635%0.35448%0.475SS..Hα-helixtrans-60.7-45.4172.7-82.5166.8000111.5P467 F469 L473 C475 R514P467-I471 WeakPolarHBondContact O-CB 3.45Å; P467-I471 WeakPolarHBondContact O-CD1 3.19Å; P467-I471 VanDerWaalsContact O-CG1 3.26Å; P467-I471 WeakPolarHBondContact O-CG1 3.49Å; P467-I471 PolarHBondContact O-N 3.33Å; F469-I471 VanDerWaalsContact C-N 3.33Å; F469-I471 PolarHBondContact O-N 3.46Å; I471-L473 VanDerWaalsContact C-N 3.35Å; I471-C475 PolarHBondContact O-N 3.44Å; I471-C475 VanDerWaalsContact O-N 3.15Å; I471-C475 PolarHBondContact O-SG 3.24Å; I471-R514 PolarHBondContact O-NH1 2.91Å
472L42.9Very low41.7Very low91 Ų9184.8 Ų84.848%0.47644%0.439SS..Hα-helixtrans-67.3-38.4177-169.670.1000111R468 F469 C475 L476R468-L472 WeakPolarHBondContact O-CB 3.46Å; R468-L472 PolarHBondContact O-N 3.05Å; F469-L472 PolarHBondContact O-N 2.73Å; L472-C475 PolarHBondContact O-N 3.05Å; L472-L476 HydrophobicContact CD1-CD1 4.01Å; L472-L476 HydrophobicContact CD1-CG 4.19Å; L472-L476 HydrophobicContact CD2-CD1 4.19Å; L472-L476 HydrophobicContact CG-CD1 3.73Å; L472-L476 HydrophobicContact CG-CG 4.19Å; L472-L476 WeakPolarHBondContact O-CB 3.26Å; L472-L476 WeakPolarHBondContact O-CG 3.28Å; L472-L476 PolarHBondContact O-N 2.83Å
473L45.7Very low42.6Very low59 Ų5981.6 Ų81.631%0.30943%0.427SS..Hα-helixtrans-60-48177.4-158.672.7000110.8F469 C470 I471 C475 L476 R477 P500F469-L473 WeakPolarHBondContact O-CB 3.4Å; F469-L473 PolarHBondContact O-N 3.29Å; C470-L473 PolarHBondContact O-N 3.44Å; I471-L473 VanDerWaalsContact C-N 3.35Å; L473-C475 PolarHBondContact O-N 3.04Å; L473-L476 PolarHBondContact O-N 3.32Å; L473-R477 WeakPolarHBondContact O-CA 3.49Å; L473-R477 WeakPolarHBondContact O-CB 3.3Å; L473-R477 PolarHBondContact O-N 3.26Å; L473-P500 HydrophobicContact CD2-CG 3.76Å
474L46.4Very low43.1Very low23 Ų2383.8 Ų83.812%0.1242%0.42CS..Hα-helixtrans-60.2-46.8173-90.3143000113.5C470 L476 V478 V498 V511C470-L474 PolarHBondContact O-N 2.93Å; C470-L474 VanDerWaalsContact O-N 3.07Å; L474-L476 PolarHBondContact O-N 3.19Å; L474-V478 HydrophobicContact CD2-CG2 3.84Å; L474-V478 WeakPolarHBondContact O-CB 3.4Å; L474-V478 PolarHBondContact O-N 3.36Å; L474-V498 HydrophobicContact CD2-CG1 4.05Å; L474-V511 HydrophobicContact CD1-CB 3.81Å; L474-V511 HydrophobicContact CD1-CG1 3.87Å; L474-V511 HydrophobicContact CD1-CG2 3.53Å; L474-V511 HydrophobicContact CD2-CG1 4.16Å; L474-V511 HydrophobicContact CG-CG1 4.36Å
475C43.8Very low43.2Very low70 Ų7082 Ų8247%0.47341%0.408SS..Hα-helixtrans-68.8-21.3-177.3-69.10000113.5I471 L472 L473 P479 R514I471-C475 PolarHBondContact O-N 3.44Å; I471-C475 VanDerWaalsContact O-N 3.15Å; I471-C475 PolarHBondContact O-SG 3.24Å; L472-C475 PolarHBondContact O-N 3.05Å; L473-C475 PolarHBondContact O-N 3.04Å; C475-P479 WeakPolarHBondContact O-CD 3.4Å; C475-P479 WeakPolarHBondContact O-CG 3.41Å; C475-R514 PolarHBondContact SG-NH1 3.37Å
476L45.9Very low43.8Very low82 Ų8276.9 Ų76.943%0.42940%0.398SS..Hα-helixtrans-102-27.7175.6-67.4-179.4000113.7L472 L473 L474 R480L472-L476 HydrophobicContact CD1-CD1 4.01Å; L472-L476 HydrophobicContact CD1-CG 4.19Å; L472-L476 HydrophobicContact CD2-CD1 4.19Å; L472-L476 HydrophobicContact CG-CD1 3.73Å; L472-L476 HydrophobicContact CG-CG 4.19Å; L472-L476 WeakPolarHBondContact O-CB 3.26Å; L472-L476 WeakPolarHBondContact O-CG 3.28Å; L472-L476 PolarHBondContact O-N 2.83Å; L473-L476 PolarHBondContact O-N 3.32Å; L474-L476 PolarHBondContact O-N 3.19Å; L476-R480 WeakPolarHBondContact O-CB 3.23Å; L476-R480 VanDerWaalsContact O-CD 3.31Å; L476-R480 WeakPolarHBondContact O-CD 3.37Å; L476-R480 WeakPolarHBondContact O-CG 3.49Å
477R43.8Very low44Very low120 Ų12081.1 Ų81.145%0.45342%0.417SS..Hα-helixtrans-91.2-41.6-174.1-156.1101.2175.6151.60.9111.6L473 R480 L481L473-R477 WeakPolarHBondContact O-CA 3.49Å; L473-R477 WeakPolarHBondContact O-CB 3.3Å; L473-R477 PolarHBondContact O-N 3.26Å; R477-R480 PolarHBondContact O-N 3.02Å; R477-L481 HydrophobicContact CG-CD1 3.53Å; R477-L481 HydrophobicContact CG-CG 3.99Å; R477-L481 WeakPolarHBondContact O-CB 3.3Å; R477-L481 WeakPolarHBondContact O-CG 3.45Å; R477-L481 PolarHBondContact O-N 3.01Å
478V46.3Very low44.1Very low44 Ų4483.6 Ų83.627%0.26744%0.436SS..THydrogen-bonded Turntrans-66.1-41.7177.9179.80000112L474 R480 L482 V498L474-V478 HydrophobicContact CD2-CG2 3.84Å; L474-V478 WeakPolarHBondContact O-CB 3.4Å; L474-V478 PolarHBondContact O-N 3.36Å; V478-R480 VanDerWaalsContact C-N 3.27Å; V478-R480 PolarHBondContact O-N 2.99Å; V478-L482 HydrophobicContact CG1-CD1 4.35Å; V478-L482 VanDerWaalsContact O-CB 3.29Å; V478-L482 WeakPolarHBondContact O-CB 3.25Å; V478-V498 HydrophobicContact CG2-CG1 4.17Å
479P45.6Very low44.6Very low73 Ų7386.7 Ų86.747%0.47446%0.456SS..THydrogen-bonded Turntrans-78.4-2.2173.9-17.834.6000115C475 P483C475-P479 WeakPolarHBondContact O-CD 3.4Å; C475-P479 WeakPolarHBondContact O-CG 3.41Å; P479-P483 WeakPolarHBondContact O-CD 3.49Å
480R42.6Very low45.2Very low186 Ų18683.3 Ų83.370%0.70245%0.447SS*.THydrogen-bonded Turntrans-113.7-19.7178.9-71.8-174.4167.3178.8-5.7115.1L476 R477 V478 L482 P483L476-R480 WeakPolarHBondContact O-CB 3.23Å; L476-R480 VanDerWaalsContact O-CD 3.31Å; L476-R480 WeakPolarHBondContact O-CD 3.37Å; L476-R480 WeakPolarHBondContact O-CG 3.49Å; R477-R480 PolarHBondContact O-N 3.02Å; V478-R480 VanDerWaalsContact C-N 3.27Å; V478-R480 PolarHBondContact O-N 2.99Å; R480-L482 PolarHBondContact O-N 3.44Å; R480-P483 WeakPolarHBondContact O-CD 3.27Å
481L45.8Very low46Very low57 Ų5791.2 Ų91.230%0.29848%0.483SS..SBendtrans-82.48.2169.1-72.6171.5000113R477R477-L481 HydrophobicContact CG-CD1 3.53Å; R477-L481 HydrophobicContact CG-CG 3.99Å; R477-L481 WeakPolarHBondContact O-CB 3.3Å; R477-L481 WeakPolarHBondContact O-CG 3.45Å; R477-L481 PolarHBondContact O-N 3.01Å
482L45.8Very low46.9Very low16 Ų1690.8 Ų90.88%0.08449%0.485CS..SBendtrans-129.6-17.4-161.2-132.9168.1000115.3V478 R480 E484 L485 P539 Y543V478-L482 HydrophobicContact CG1-CD1 4.35Å; V478-L482 VanDerWaalsContact O-CB 3.29Å; V478-L482 WeakPolarHBondContact O-CB 3.25Å; R480-L482 PolarHBondContact O-N 3.44Å; L482-E484 PolarHBondContact O-N 3.35Å; L482-L485 HydrophobicContact CD2-CB 4.09Å; L482-L485 HydrophobicContact CD2-CD1 3.69Å; L482-L485 HydrophobicContact CD2-CG 4Å; L482-L485 HydrophobicContact CG-CD1 3.73Å; L482-L485 HydrophobicContact CG-CG 4.16Å; L482-L485 PolarHBondContact O-N 3.41Å; L482-P539 HydrophobicContact CD2-CG 4.23Å; L482-Y543 WeakPolarHBondContact CB-OH 3.47Å; L482-Y543 HydrophobicContact CD1-CD2 4.34Å; L482-Y543 HydrophobicContact CD1-CE2 3.5Å; L482-Y543 VanDerWaalsContact CD1-CE2 3.5Å; L482-Y543 HydrophobicContact CD2-CD1 4.32Å; L482-Y543 HydrophobicContact CD2-CD2 4.31Å; L482-Y543 HydrophobicContact CD2-CE1 3.68Å; L482-Y543 HydrophobicContact CD2-CE2 3.71Å; L482-Y543 HydrophobicContact CG-CE2 4.11Å
483P46.9Very low48.6Very low83 Ų8388.1 Ų88.154%0.53947%0.473SS..G310 helixtrans-59.2-26.5157-23.235.9000112.6P479 R480 L485 A486P479-P483 WeakPolarHBondContact O-CD 3.49Å; R480-P483 WeakPolarHBondContact O-CD 3.27Å; P483-L485 VanDerWaalsContact C-N 3.32Å; P483-L485 PolarHBondContact O-N 3.16Å; P483-A486 PolarHBondContact O-N 2.94Å
484E42.1Very low50.4Low150 Ų15088.1 Ų88.170%0.70147%0.472SS*.G310 helixtrans-78.4-5.4175.9-75.7173.8129.500114.4L482L482-E484 PolarHBondContact O-N 3.35Å
485L43.2Very low52.3Low35 Ų3588.1 Ų88.118%0.18347%0.471CS..G310 helixtrans-98.9-2.2172.1-40.3-177.1000112.9L482 P483 S490 V493 P539L482-L485 HydrophobicContact CD2-CB 4.09Å; L482-L485 HydrophobicContact CD2-CD1 3.69Å; L482-L485 HydrophobicContact CD2-CG 4Å; L482-L485 HydrophobicContact CG-CD1 3.73Å; L482-L485 HydrophobicContact CG-CG 4.16Å; L482-L485 PolarHBondContact O-N 3.41Å; P483-L485 VanDerWaalsContact C-N 3.32Å; P483-L485 PolarHBondContact O-N 3.16Å; L485-S490 WeakPolarHBondContact CD2-OG 3.24Å; L485-V493 HydrophobicContact CD1-CG2 4.38Å; L485-P539 HydrophobicContact CB-CG 4.48Å; L485-P539 HydrophobicContact CD1-CG 4.09Å
486A44.8Very low54Low81 Ų8189.3 Ų89.367%0.66947%0.47SS*.SBendtrans-79.4-27.9179.700000112.5P483P483-A486 PolarHBondContact O-N 2.94Å
487D46.2Very low55.6Low138 Ų13888.6 Ų88.674%0.73847%0.472SS*.SBendtrans-118.698.3-179.9-77.3-42.8000111.2
488S40.5Very low57.1Low109 Ų10983.5 Ų83.576%0.76245%0.454SS*.SBendtrans88.5143.5171.7-380000117.2S490S488-S490 PolarHBondContact O-N 3.08Å
489E47.1Very low58.6Low208 Ų20883.1 Ų83.197%0.97245%0.45SS*.  trans-35.387.2-178.3-56.2-170.6162.200115.6
490S53.1Low59.9Low47 Ų4781 Ų8133%0.32944%0.436SS..PPolyproline II helixtrans-91.1136.4-173.865.90000113.2L485 S488L485-S490 WeakPolarHBondContact CD2-OG 3.24Å; S488-S490 PolarHBondContact O-N 3.08Å
491E59.7Low61.1Low174 Ų17477.5 Ų77.581%0.81344%0.441SS*.PPolyproline II helixtrans-57.8146.9171.3-73.7-173.6130.900112.4V493E491-V493 PolarHBondContact O-N 3.27Å
492P67.6Low62.3Low61 Ų6178.9 Ų78.940%0.39647%0.468SS..PPolyproline II helixtrans-63130.5176.724.3-32.7000111.8L494 A536 L538P492-L494 PolarHBondContact O-N 3.14Å; P492-L494 VanDerWaalsContact O-N 3.16Å; P492-A536 HydrophobicContact CB-CB 3.66Å; P492-A536 HydrophobicContact CG-CB 4.31Å; P492-L538 HydrophobicContact CB-CD2 4.01Å
493V78.2Confident63.7Low35 Ų3579.5 Ų79.521%0.21248%0.476CS..EExtended strand (participates in β ladder)trans-74.7109.7178.8178.90000109.2L485 E491 V498 I537L485-V493 HydrophobicContact CD1-CG2 4.38Å; E491-V493 PolarHBondContact O-N 3.27Å; V493-V498 HydrophobicContact CG1-CG2 4.02Å; V493-I537 PolarHBondContact N-O 3.2Å; V493-I537 VanDerWaalsContact N-O 3.13Å; V493-I537 VanDerWaalsContact O-CB 3.25Å; V493-I537 WeakPolarHBondContact O-CB 3.21Å; V493-I537 WeakPolarHBondContact O-CG1 3.21Å; V493-I537 PolarHBondContact O-N 3.08Å
494L84Confident65.1Low58 Ų5879.5 Ų79.530%0.30447%0.472SS..EExtended strand (participates in β ladder)trans-70.9136.3-179.1-56.9-178.7000111.1P492 H496 S497 D534 I535 A536P492-L494 PolarHBondContact O-N 3.14Å; P492-L494 VanDerWaalsContact O-N 3.16Å; L494-H496 WeakPolarHBondContact CD1-CE1 3.25Å; L494-H496 PolarHBondContact O-N 3.16Å; L494-H496 VanDerWaalsContact O-N 3.13Å; L494-S497 WeakPolarHBondContact O-CB 3.31Å; L494-S497 PolarHBondContact O-N 3.14Å; L494-S497 PolarHBondContact O-OG 3.11Å; L494-D534 HydrophobicContact CD2-CB 4.43Å; L494-I535 CarbonylContact C-O 3.58Å; L494-I535 WeakPolarHBondContact CA-O 3.44Å; L494-A536 HydrophobicContact CD2-CB 4.38Å
495F84.9Confident66.9Low23 Ų2383.3 Ų83.310%0.10148%0.48CS..G310 helixtrans-55.9-33.5-176.5177.1-99.8000113.4S497 V498 L499 V508 V511 F512 L515 I535 I537F495-S497 VanDerWaalsContact C-N 3.26Å; F495-S497 PolarHBondContact O-N 2.77Å; F495-V498 WeakPolarHBondContact O-CB 3.34Å; F495-V498 PolarHBondContact O-N 3.19Å; F495-L499 HydrophobicContact CD1-CD1 4.33Å; F495-L499 HydrophobicContact CE1-CD1 4.01Å; F495-L499 HydrophobicContact CE1-CD2 4.44Å; F495-L499 HydrophobicContact CE1-CG 4.39Å; F495-L499 HydrophobicContact CZ-CD2 4.44Å; F495-V508 HydrophobicContact CE1-CG1 4.15Å; F495-V511 HydrophobicContact CE2-CG1 3.67Å; F495-V511 HydrophobicContact CZ-CB 4.37Å; F495-V511 HydrophobicContact CZ-CG1 3.79Å; F495-F512 HydrophobicContact CE1-CD2 4.44Å; F495-F512 HydrophobicContact CE2-CB 4.33Å; F495-F512 HydrophobicContact CE2-CD2 4.08Å; F495-F512 HydrophobicContact CZ-CB 3.83Å; F495-F512 AromaticContact CZ-CD2 3.91Å; F495-F512 HydrophobicContact CZ-CD2 3.91Å; F495-F512 HydrophobicContact CZ-CG 4.38Å; F495-L515 HydrophobicContact CD2-CD2 3.92Å; F495-L515 HydrophobicContact CE2-CB 4.43Å; F495-L515 HydrophobicContact CE2-CD2 4.16Å; F495-I535 HydrophobicContact CB-CB 3.85Å; F495-I535 HydrophobicContact CB-CG2 4.44Å; F495-I535 WeakPolarHBondContact CB-O 3.45Å; F495-I535 PolarHBondContact N-O 3.22Å; F495-I537 HydrophobicContact CB-CD1 4.24Å; F495-I537 HydrophobicContact CD2-CD1 4.27Å
496H80.8Confident68.3Low95 Ų9589.6 Ų89.644%0.4450%0.501SS..G310 helixtrans-65.2-27.5175.766.1-116.3000113.1L494 V498 L499 D534L494-H496 WeakPolarHBondContact CD1-CE1 3.25Å; L494-H496 PolarHBondContact O-N 3.16Å; L494-H496 VanDerWaalsContact O-N 3.13Å; H496-V498 VanDerWaalsContact C-N 3.26Å; H496-V498 PolarHBondContact O-N 3.46Å; H496-L499 PolarHBondContact O-N 3.44Å; H496-D534 IonicContact CE1-OD1 3.48Å; H496-D534 PolarHBondContact CE1-OD1 3.34Å; H496-D534 IonicContact CE1-OD2 3.56Å; H496-D534 IonicContact CG-OD1 3.85Å; H496-D534 IonicContact ND1-OD1 2.72Å; H496-D534 PolarHBondContact ND1-OD1 2.99Å; H496-D534 IonicContact ND1-OD2 3.62Å
497S78.6Confident69.6Low67 Ų6786.3 Ų86.347%0.46947%0.473SS..G310 helixtrans-72.8-19.7176.876.20000113L494 F495 L499L494-S497 WeakPolarHBondContact O-CB 3.31Å; L494-S497 PolarHBondContact O-N 3.14Å; L494-S497 PolarHBondContact O-OG 3.11Å; F495-S497 VanDerWaalsContact C-N 3.26Å; F495-S497 PolarHBondContact O-N 2.77Å; S497-L499 VanDerWaalsContact C-N 3.34Å
498V75.6Confident71.4Confident14 Ų1482 Ų829%0.08545%0.451CS..G310 helixtrans-81.9-16.3175.6-169.90000111.5L474 V478 V493 F495 H496 I537L474-V498 HydrophobicContact CD2-CG1 4.05Å; V478-V498 HydrophobicContact CG2-CG1 4.17Å; V493-V498 HydrophobicContact CG1-CG2 4.02Å; F495-V498 WeakPolarHBondContact O-CB 3.34Å; F495-V498 PolarHBondContact O-N 3.19Å; H496-V498 VanDerWaalsContact C-N 3.26Å; H496-V498 PolarHBondContact O-N 3.46Å; V498-I537 HydrophobicContact CG2-CD1 3.99Å
499L77.6Confident73.3Confident36 Ų3680.4 Ų80.419%0.18844%0.44CS..SBendtrans-86141.2178.9-63.1173.5000111.5F495 H496 S497 A503 V508 V511F495-L499 HydrophobicContact CD1-CD1 4.33Å; F495-L499 HydrophobicContact CE1-CD1 4.01Å; F495-L499 HydrophobicContact CE1-CD2 4.44Å; F495-L499 HydrophobicContact CE1-CG 4.39Å; F495-L499 HydrophobicContact CZ-CD2 4.44Å; H496-L499 PolarHBondContact O-N 3.44Å; S497-L499 VanDerWaalsContact C-N 3.34Å; L499-A503 HydrophobicContact CB-CB 4.18Å; L499-V508 HydrophobicContact CD1-CG1 4.23Å; L499-V508 HydrophobicContact CD1-CG2 3.9Å; L499-V508 HydrophobicContact CD2-CB 4.42Å; L499-V508 HydrophobicContact CD2-CG2 4.05Å; L499-V511 HydrophobicContact CD2-CB 3.84Å; L499-V511 HydrophobicContact CD2-CG1 3.68Å; L499-V511 HydrophobicContact CD2-CG2 3.8Å
500P72.8Confident74.6Confident27 Ų2772.7 Ų72.718%0.17541%0.408CS..PPolyproline II helixtrans-55.4148.2165.7-23.531.7000112.4L473 G502 A503L473-P500 HydrophobicContact CD2-CG 3.76Å; P500-G502 PolarHBondContact O-N 3.43Å; P500-A503 HydrophobicContact CB-CB 4.42Å; P500-A503 WeakPolarHBondContact O-CB 3.29Å; P500-A503 PolarHBondContact O-N 3.06Å
501S68.4Low75.8Confident114 Ų11470.7 Ų70.780%0.79739%0.394SS*.THydrogen-bonded Turntrans-55.5122167.342.40000110.1
502G71.4Confident77Confident85 Ų8566.3 Ų66.388%0.87637%0.373SS*.THydrogen-bonded Turntrans75.121-177.300000115.7P500 D504P500-G502 PolarHBondContact O-N 3.43Å; G502-D504 PolarHBondContact O-N 3.37Å
503A75.1Confident77.7Confident30 Ų3068.6 Ų68.625%0.24838%0.378CS..  trans-51.513117800000113.6L499 P500 T507 V508L499-A503 HydrophobicContact CB-CB 4.18Å; P500-A503 HydrophobicContact CB-CB 4.42Å; P500-A503 WeakPolarHBondContact O-CB 3.29Å; P500-A503 PolarHBondContact O-N 3.06Å; A503-T507 HydrophobicContact CB-CG2 4.06Å; A503-V508 HydrophobicContact CB-CG2 4.09Å
504D75.7Confident77.7Confident83 Ų8369.8 Ų69.844%0.44438%0.379SS..  trans-76.9160.8178.992.2-58.9000112.3G502 R506 T507 V508G502-D504 PolarHBondContact O-N 3.37Å; D504-R506 PolarHBondContact O-N 3.33Å; D504-R506 VanDerWaalsContact O-N 3.07Å; D504-R506 WeakPolarHBondContact OD2-CB 3.08Å; D504-R506 PolarHBondContact OD2-N 3.09Å; D504-T507 WeakPolarHBondContact O-CB 3.45Å; D504-T507 PolarHBondContact O-N 3.28Å; D504-T507 WeakPolarHBondContact OD1-CB 3Å; D504-T507 PolarHBondContact OD1-N 3.05Å; D504-T507 PolarHBondContact OD1-OG1 3.35Å; D504-V508 WeakPolarHBondContact O-CG2 3.36Å; D504-V508 PolarHBondContact O-N 3.48Å
505R79.8Confident77.7Confident230 Ų23067.7 Ų67.787%0.86837%0.368SS*.Hα-helixtrans-52.8-35-179.6178.2178.1170.4-179.8-1.4112.9S509R505-S509 WeakPolarHBondContact O-CB 3.42Å; R505-S509 PolarHBondContact O-N 3.36Å
506R72.5Confident77.7Confident166 Ų16670.7 Ų70.763%0.62638%0.384SS*.Hα-helixtrans-69.2-45.8178.5-169.5-177.4-178.6-178.81.9111.1D504 S509 C510D504-R506 PolarHBondContact O-N 3.33Å; D504-R506 VanDerWaalsContact O-N 3.07Å; D504-R506 WeakPolarHBondContact OD2-CB 3.08Å; D504-R506 PolarHBondContact OD2-N 3.09Å; R506-S509 PolarHBondContact O-N 3.47Å; R506-C510 PolarHBondContact O-N 3.24Å; R506-C510 PolarHBondContact O-SG 2.92Å
507T73.1Confident77.7Confident13 Ų1370.6 Ų70.68%0.0838%0.384CS..Hα-helixtrans-56.7-52.1174.3-64.60000110.9C470 A503 D504 S509 C510 V511C470-T507 HydrophobicContact CB-CG2 3.89Å; C470-T507 VanDerWaalsContact SG-CG2 3.57Å; C470-T507 PolarHBondContact SG-OG1 2.89Å; A503-T507 HydrophobicContact CB-CG2 4.06Å; D504-T507 WeakPolarHBondContact O-CB 3.45Å; D504-T507 PolarHBondContact O-N 3.28Å; D504-T507 WeakPolarHBondContact OD1-CB 3Å; D504-T507 PolarHBondContact OD1-N 3.05Å; D504-T507 PolarHBondContact OD1-OG1 3.35Å; T507-S509 VanDerWaalsContact C-N 3.31Å; T507-S509 PolarHBondContact O-N 2.89Å; T507-C510 PolarHBondContact O-N 3.14Å; T507-C510 VanDerWaalsContact O-N 3.17Å; T507-V511 HydrophobicContact CG2-CG2 4.09Å; T507-V511 WeakPolarHBondContact O-CB 3.21Å; T507-V511 WeakPolarHBondContact O-CG2 3.46Å; T507-V511 PolarHBondContact O-N 3.2Å
508V83Confident77.7Confident47 Ų4769.6 Ų69.629%0.28537%0.373SS..Hα-helixtrans-56.3-44.5178.2-178.50000111.4F495 L499 A503 D504 C510 V511 F512F495-V508 HydrophobicContact CE1-CG1 4.15Å; L499-V508 HydrophobicContact CD1-CG1 4.23Å; L499-V508 HydrophobicContact CD1-CG2 3.9Å; L499-V508 HydrophobicContact CD2-CB 4.42Å; L499-V508 HydrophobicContact CD2-CG2 4.05Å; A503-V508 HydrophobicContact CB-CG2 4.09Å; D504-V508 WeakPolarHBondContact O-CG2 3.36Å; D504-V508 PolarHBondContact O-N 3.48Å; V508-C510 PolarHBondContact O-N 3.33Å; V508-V511 PolarHBondContact O-N 2.8Å; V508-F512 WeakPolarHBondContact O-CB 3.38Å; V508-F512 PolarHBondContact O-N 3.17Å
509S81.1Confident78.1Confident76 Ų7671.3 Ų71.353%0.53138%0.382SS..Hα-helixtrans-63.7-40.9178.2-1710000113.3R505 R506 T507 Q513R505-S509 WeakPolarHBondContact O-CB 3.42Å; R505-S509 PolarHBondContact O-N 3.36Å; R506-S509 PolarHBondContact O-N 3.47Å; T507-S509 VanDerWaalsContact C-N 3.31Å; T507-S509 PolarHBondContact O-N 2.89Å; S509-Q513 PolarHBondContact O-N 3.3Å
510C74.1Confident78.2Confident46 Ų4674.2 Ų74.231%0.31141%0.405SS..Hα-helixtrans-70.5-33.4176.7-69.70000112.3R506 T507 V508 R514R506-C510 PolarHBondContact O-N 3.24Å; R506-C510 PolarHBondContact O-SG 2.92Å; T507-C510 PolarHBondContact O-N 3.14Å; T507-C510 VanDerWaalsContact O-N 3.17Å; V508-C510 PolarHBondContact O-N 3.33Å; C510-R514 PolarHBondContact O-N 3.09Å
511V77.3Confident78.5Confident5 Ų575.1 Ų75.13%0.0341%0.412CS..Hα-helixtrans-67.3-46.4174.7172.10000110.5L474 F495 L499 T507 V508 R514 L515L474-V511 HydrophobicContact CD1-CB 3.81Å; L474-V511 HydrophobicContact CD1-CG1 3.87Å; L474-V511 HydrophobicContact CD1-CG2 3.53Å; L474-V511 HydrophobicContact CD2-CG1 4.16Å; L474-V511 HydrophobicContact CG-CG1 4.36Å; F495-V511 HydrophobicContact CE2-CG1 3.67Å; F495-V511 HydrophobicContact CZ-CB 4.37Å; F495-V511 HydrophobicContact CZ-CG1 3.79Å; L499-V511 HydrophobicContact CD2-CB 3.84Å; L499-V511 HydrophobicContact CD2-CG1 3.68Å; L499-V511 HydrophobicContact CD2-CG2 3.8Å; T507-V511 HydrophobicContact CG2-CG2 4.09Å; T507-V511 WeakPolarHBondContact O-CB 3.21Å; T507-V511 WeakPolarHBondContact O-CG2 3.46Å; T507-V511 PolarHBondContact O-N 3.2Å; V508-V511 PolarHBondContact O-N 2.8Å; V511-R514 PolarHBondContact O-N 2.97Å; V511-L515 PolarHBondContact O-N 2.93Å; V511-L515 VanDerWaalsContact O-N 3.13Å
512F86.6Confident79Confident82 Ų8274.2 Ų74.236%0.3639%0.394SS..Hα-helixtrans-64.1-41.3178.1-170.4-106.8000112.9F495 V508 R514 L515 L516 I535F495-F512 HydrophobicContact CE1-CD2 4.44Å; F495-F512 HydrophobicContact CE2-CB 4.33Å; F495-F512 HydrophobicContact CE2-CD2 4.08Å; F495-F512 HydrophobicContact CZ-CB 3.83Å; F495-F512 AromaticContact CZ-CD2 3.91Å; F495-F512 HydrophobicContact CZ-CD2 3.91Å; F495-F512 HydrophobicContact CZ-CG 4.38Å; V508-F512 WeakPolarHBondContact O-CB 3.38Å; V508-F512 PolarHBondContact O-N 3.17Å; F512-R514 PolarHBondContact O-N 2.97Å; F512-L515 HydrophobicContact CD2-CD2 4.27Å; F512-L515 HydrophobicContact CE2-CD2 4.26Å; F512-L515 VanDerWaalsContact O-CB 3.28Å; F512-L515 WeakPolarHBondContact O-CB 3.36Å; F512-L515 PolarHBondContact O-N 3.42Å; F512-L515 VanDerWaalsContact O-N 3.1Å; F512-L516 HydrophobicContact CD1-CD1 4.06Å; F512-L516 HydrophobicContact CD1-CG 4.37Å; F512-L516 HydrophobicContact CE1-CD1 3.77Å; F512-L516 HydrophobicContact CE1-CD2 4.24Å; F512-L516 HydrophobicContact CE1-CG 4.09Å; F512-L516 HydrophobicContact CZ-CD2 4.2Å; F512-L516 HydrophobicContact CZ-CG 4.44Å; F512-L516 PolarHBondContact O-N 3.37Å; F512-L516 VanDerWaalsContact O-N 3.07Å; F512-I535 HydrophobicContact CE2-CD1 3.83Å
513Q81.8Confident79.1Confident108 Ų10875.2 Ų75.251%0.50537%0.371SS..Hα-helixtrans-56.1-41.5175-175.9-172.2-32.800111.8S509 L516 E517S509-Q513 PolarHBondContact O-N 3.3Å; Q513-L516 WeakPolarHBondContact O-CB 3.5Å; Q513-L516 PolarHBondContact O-N 3.38Å; Q513-E517 PolarHBondContact NE2-OE1 3.43Å; Q513-E517 WeakPolarHBondContact O-CG 3.44Å; Q513-E517 PolarHBondContact O-N 3.39Å
514R78.3Confident79.4Confident60 Ų6074.3 Ų74.323%0.22636%0.362CS..Hα-helixtrans-70.8-30.5178.7-73.3171.7153.4-139.1-14.3113.2I471 C475 C510 V511 F512 E517 N518I471-R514 PolarHBondContact O-NH1 2.91Å; C475-R514 PolarHBondContact SG-NH1 3.37Å; C510-R514 PolarHBondContact O-N 3.09Å; V511-R514 PolarHBondContact O-N 2.97Å; F512-R514 PolarHBondContact O-N 2.97Å; R514-E517 PolarHBondContact O-N 3.33Å; R514-N518 PolarHBondContact O-N 3.12Å; R514-N518 PolarHBondContact O-ND2 3.15Å
515L83.6Confident79.6Confident14 Ų1472.3 Ų72.37%0.07335%0.354CS..Hα-helixtrans-59.4-50168.8-169.278.7000109.7F495 V511 F512 E517 N518 L519 I524 I535 I537F495-L515 HydrophobicContact CD2-CD2 3.92Å; F495-L515 HydrophobicContact CE2-CB 4.43Å; F495-L515 HydrophobicContact CE2-CD2 4.16Å; V511-L515 PolarHBondContact O-N 2.93Å; V511-L515 VanDerWaalsContact O-N 3.13Å; F512-L515 HydrophobicContact CD2-CD2 4.27Å; F512-L515 HydrophobicContact CE2-CD2 4.26Å; F512-L515 VanDerWaalsContact O-CB 3.28Å; F512-L515 WeakPolarHBondContact O-CB 3.36Å; F512-L515 PolarHBondContact O-N 3.42Å; F512-L515 VanDerWaalsContact O-N 3.1Å; L515-E517 PolarHBondContact O-N 3.39Å; L515-N518 PolarHBondContact O-N 2.93Å; L515-L519 HydrophobicContact CD2-CD1 4.3Å; L515-L519 HydrophobicContact CG-CD1 3.99Å; L515-L519 WeakPolarHBondContact O-CB 3.11Å; L515-L519 VanDerWaalsContact O-CG 3.27Å; L515-L519 WeakPolarHBondContact O-CG 3.29Å; L515-L519 PolarHBondContact O-N 2.97Å; L515-I524 HydrophobicContact CD1-CD1 3.53Å; L515-I524 HydrophobicContact CG-CD1 4.26Å; L515-I535 HydrophobicContact CD2-CG2 4.33Å; L515-I537 HydrophobicContact CD1-CD1 3.61Å; L515-I537 HydrophobicContact CD1-CG1 3.88Å; L515-I537 HydrophobicContact CD1-CG2 4.24Å
516L84.9Confident79.9Confident87 Ų8763 Ų6346%0.45533%0.327SS..Hα-helixtrans-60-40.9177.4-61.6175.7000112.8F512 Q513 L519 S520F512-L516 HydrophobicContact CD1-CD1 4.06Å; F512-L516 HydrophobicContact CD1-CG 4.37Å; F512-L516 HydrophobicContact CE1-CD1 3.77Å; F512-L516 HydrophobicContact CE1-CD2 4.24Å; F512-L516 HydrophobicContact CE1-CG 4.09Å; F512-L516 HydrophobicContact CZ-CD2 4.2Å; F512-L516 HydrophobicContact CZ-CG 4.44Å; F512-L516 PolarHBondContact O-N 3.37Å; F512-L516 VanDerWaalsContact O-N 3.07Å; Q513-L516 WeakPolarHBondContact O-CB 3.5Å; Q513-L516 PolarHBondContact O-N 3.38Å; L516-L519 HydrophobicContact CD2-CD1 4.26Å; L516-L519 PolarHBondContact O-N 3.5Å; L516-S520 WeakPolarHBondContact O-CB 3.34Å; L516-S520 PolarHBondContact O-N 2.9Å
517E81.6Confident80.6Confident92 Ų9260.8 Ų60.843%0.4332%0.324SS..Hα-helixtrans-59.4-46.7174.4-72164.5-171.200111.2Q513 R514 L515 S520 S521Q513-E517 PolarHBondContact NE2-OE1 3.43Å; Q513-E517 WeakPolarHBondContact O-CG 3.44Å; Q513-E517 PolarHBondContact O-N 3.39Å; R514-E517 PolarHBondContact O-N 3.33Å; L515-E517 PolarHBondContact O-N 3.39Å; E517-S520 PolarHBondContact O-N 3.45Å; E517-S520 PolarHBondContact O-OG 2.96Å; E517-S521 PolarHBondContact O-N 3.44Å; E517-S521 VanDerWaalsContact O-N 3.13Å; E517-S521 PolarHBondContact O-OG 3.33Å
518N78Confident81.3Confident46 Ų4664.6 Ų64.625%0.24634%0.341CS..Hα-helixtrans-69.3-37.7178.7-75.5-82.5000112.8R514 L515 S521 K522 R523 I524R514-N518 PolarHBondContact O-N 3.12Å; R514-N518 PolarHBondContact O-ND2 3.15Å; L515-N518 PolarHBondContact O-N 2.93Å; N518-S521 WeakPolarHBondContact CA-OG 3.26Å; N518-S521 PolarHBondContact O-N 2.82Å; N518-S521 PolarHBondContact O-OG 2.79Å; N518-K522 PolarHBondContact O-N 2.97Å; N518-R523 PolarHBondContact O-N 2.85Å; N518-I524 HydrophobicContact CB-CD1 3.54Å; N518-I524 HydrophobicContact CB-CG1 3.76Å
519L82.7Confident81Confident51 Ų5171.9 Ų71.927%0.26737%0.371SS..Hα-helixtrans-58.8-45.9171.3-71.6164.7000111.1L515 L516 S521 K522 I524 A526L515-L519 HydrophobicContact CD2-CD1 4.3Å; L515-L519 HydrophobicContact CG-CD1 3.99Å; L515-L519 WeakPolarHBondContact O-CB 3.11Å; L515-L519 VanDerWaalsContact O-CG 3.27Å; L515-L519 WeakPolarHBondContact O-CG 3.29Å; L515-L519 PolarHBondContact O-N 2.97Å; L516-L519 HydrophobicContact CD2-CD1 4.26Å; L516-L519 PolarHBondContact O-N 3.5Å; L519-S521 VanDerWaalsContact C-N 3.27Å; L519-S521 PolarHBondContact O-N 3.18Å; L519-K522 WeakPolarHBondContact O-CA 3.25Å; L519-K522 PolarHBondContact O-N 3.03Å; L519-I524 HydrophobicContact CD2-CG1 3.97Å; L519-I524 HydrophobicContact CG-CD1 4.34Å; L519-I524 HydrophobicContact CG-CG1 4.04Å; L519-A526 HydrophobicContact CD1-CB 4.04Å; L519-A526 HydrophobicContact CD2-CB 3.7Å; L519-A526 HydrophobicContact CG-CB 4.44Å
520S81.4Confident80.8Confident97 Ų9775 Ų7568%0.67838%0.377SS*.Hα-helixtrans-62.3-34.3178.5790000112.6L516 E517 K522L516-S520 WeakPolarHBondContact O-CB 3.34Å; L516-S520 PolarHBondContact O-N 2.9Å; E517-S520 PolarHBondContact O-N 3.45Å; E517-S520 PolarHBondContact O-OG 2.96Å; S520-K522 PolarHBondContact O-N 3.45Å
521S77.9Confident80.6Confident45 Ų4576.3 Ų76.332%0.31539%0.386SS..THydrogen-bonded Turntrans-77.4-2.5174.366.50000114.4E517 N518 L519 R523E517-S521 PolarHBondContact O-N 3.44Å; E517-S521 VanDerWaalsContact O-N 3.13Å; E517-S521 PolarHBondContact O-OG 3.33Å; N518-S521 WeakPolarHBondContact CA-OG 3.26Å; N518-S521 PolarHBondContact O-N 2.82Å; N518-S521 PolarHBondContact O-OG 2.79Å; L519-S521 VanDerWaalsContact C-N 3.27Å; L519-S521 PolarHBondContact O-N 3.18Å; S521-R523 PolarHBondContact O-N 3.46Å; S521-R523 VanDerWaalsContact OG-CG 3.28Å; S521-R523 WeakPolarHBondContact OG-CG 3.43Å
522K78.8Confident80.2Confident95 Ų9580.6 Ų80.641%0.41340%0.402SS..THydrogen-bonded Turntrans58.922.9-175.7-52.4-174.2179.6-176.50114.1D387 N518 L519 S520 G540 P541 R542D387-K522 IonicContact OD2-NZ 2.7Å; N518-K522 PolarHBondContact O-N 2.97Å; L519-K522 WeakPolarHBondContact O-CA 3.25Å; L519-K522 PolarHBondContact O-N 3.03Å; S520-K522 PolarHBondContact O-N 3.45Å; K522-G540 CarbonylContact O-C 3.51Å; K522-P541 HydrophobicContact CB-CG 4.16Å; K522-P541 VanDerWaalsContact O-CD 3.3Å; K522-P541 WeakPolarHBondContact O-CD 3.3Å; K522-R542 HydrophobicContact CB-CG 4.42Å; K522-R542 PolarHBondContact O-N 3.26Å
523R73.8Confident79.6Confident106 Ų10678 Ų7840%0.440%0.399SS..SBendtrans-79.1-31.7177.5-64.7-172.577.4-152.72.3113N518 S521 G540 R542 Y543N518-R523 PolarHBondContact O-N 2.85Å; S521-R523 PolarHBondContact O-N 3.46Å; S521-R523 VanDerWaalsContact OG-CG 3.28Å; S521-R523 WeakPolarHBondContact OG-CG 3.43Å; R523-G540 WeakPolarHBondContact O-CA 3.47Å; R523-G540 PolarHBondContact O-N 2.95Å; R523-R542 WeakPolarHBondContact CA-O 3.36Å; R523-R542 WeakPolarHBondContact CG-O 3.45Å; R523-Y543 WeakPolarHBondContact O-CD2 3.25Å
524I81.1Confident79.7Confident12 Ų1277.3 Ų77.36%0.06240%0.398CS..EExtended strand (participates in β ladder)trans-127.5160.417364.7-177.1000108.9L515 N518 L519 I537 L538L515-I524 HydrophobicContact CD1-CD1 3.53Å; L515-I524 HydrophobicContact CG-CD1 4.26Å; N518-I524 HydrophobicContact CB-CD1 3.54Å; N518-I524 HydrophobicContact CB-CG1 3.76Å; L519-I524 HydrophobicContact CD2-CG1 3.97Å; L519-I524 HydrophobicContact CG-CD1 4.34Å; L519-I524 HydrophobicContact CG-CG1 4.04Å; I524-I537 HydrophobicContact CB-CG2 4.35Å; I524-I537 HydrophobicContact CD1-CG2 4.14Å; I524-L538 CarbonylContact C-O 3.6Å; I524-L538 WeakPolarHBondContact CA-O 3.33Å; I524-L538 WeakPolarHBondContact CB-O 3.47Å
525S81.3Confident80.1Confident40 Ų4075.9 Ų75.928%0.2840%0.395SS..EExtended strand (participates in β ladder)trans-112.3160.7161.339.40000109.3L538 P539S525-L538 PolarHBondContact N-O 3.23Å; S525-L538 PolarHBondContact O-N 2.86Å; S525-L538 VanDerWaalsContact OG-CB 3.29Å; S525-L538 WeakPolarHBondContact OG-CB 3.49Å; S525-L538 PolarHBondContact OG-O 3.34Å; S525-P539 PolarHBondContact OG-O 3.28Å
526A85.5Confident80.2Confident35 Ų3576 Ų7629%0.28940%0.398SS..EExtended strand (participates in β ladder)trans-143.7140.1174.700000109.9L519 I535 A536L519-A526 HydrophobicContact CD1-CB 4.04Å; L519-A526 HydrophobicContact CD2-CB 3.7Å; L519-A526 HydrophobicContact CG-CB 4.44Å; A526-I535 HydrophobicContact CB-CG2 4.01Å; A526-A536 CarbonylContact C-O 3.52Å; A526-A536 WeakPolarHBondContact CA-O 3.33Å
527E86.6Confident80.2Confident120 Ų12072.9 Ų72.956%0.56138%0.381SS*.EExtended strand (participates in β ladder)trans-128.3145.8-176.5-64.2-177.317500109.2I535 A536 L538E527-I535 CarbonylContact O-C 3.55Å; E527-I535 WeakPolarHBondContact O-CA 3.36Å; E527-A536 HydrophobicContact CB-CB 4.36Å; E527-A536 PolarHBondContact N-O 3.33Å; E527-A536 PolarHBondContact O-N 3.13Å; E527-L538 HydrophobicContact CG-CD1 4.11Å
528Q87.2Confident80.3Confident93 Ų9370.6 Ų70.644%0.43537%0.372SS..  trans-145.4109.7179.8177.2173.651.100107.4E530 G533 I535Q528-E530 WeakPolarHBondContact CG-O 3.43Å; Q528-G533 PolarHBondContact NE2-O 3.25Å; Q528-I535 HydrophobicContact CB-CG1 4.4Å; Q528-I535 HydrophobicContact CG-CG1 4.41Å
529E77.1Confident80.3Confident199 Ų19971 Ų7193%0.9338%0.377SS*.SBendtrans-74.7-42.7-174-61.8-169.1154.300112.4
530E78.3Confident79.8Confident141 Ų14169.1 Ų69.166%0.65937%0.37SS*.SBendtrans-109.2140.8178.4-64.8-165.5157.700111.6Q528 Y532 G533Q528-E530 WeakPolarHBondContact CG-O 3.43Å; E530-Y532 PolarHBondContact O-N 2.77Å; E530-Y532 VanDerWaalsContact O-N 3.14Å; E530-G533 PolarHBondContact O-N 3.23Å
531P69.6Low79.3Confident75 Ų7570 Ų7049%0.48737%0.373SS..THydrogen-bonded Turntrans-60.5121.4175.826.1-33.7000110.3I375 G533I375-P531 HydrophobicContact CB-CB 4.3Å; I375-P531 HydrophobicContact CD1-CB 4.33Å; I375-P531 HydrophobicContact CG2-CB 4.44Å; P531-G533 PolarHBondContact O-N 3.15Å
532Y68.5Low78.8Confident95 Ų9575.9 Ų75.937%0.37339%0.389SS..THydrogen-bonded Turntrans67.411-173.1-36.8-67.8000115.7A351 L354 I375 E530A351-Y532 HydrophobicContact CB-CD2 4.45Å; L354-Y532 HydrophobicContact CB-CD2 4.49Å; L354-Y532 HydrophobicContact CB-CE1 4.42Å; L354-Y532 HydrophobicContact CB-CE2 3.75Å; L354-Y532 HydrophobicContact CD1-CD1 3.57Å; L354-Y532 HydrophobicContact CD1-CD2 4.23Å; L354-Y532 HydrophobicContact CD1-CE1 3.27Å; L354-Y532 HydrophobicContact CD1-CE2 3.95Å; L354-Y532 HydrophobicContact CD1-CG 4.01Å; L354-Y532 VanDerWaalsContact CD1-CZ 3.43Å; L354-Y532 HydrophobicContact CG-CE1 4.43Å; L354-Y532 HydrophobicContact CG-CE2 4.49Å; I375-Y532 HydrophobicContact CD1-CD1 4.5Å; I375-Y532 HydrophobicContact CD1-CE1 3.63Å; I375-Y532 HydrophobicContact CD1-CE2 3.89Å; I375-Y532 VanDerWaalsContact CD1-OH 3.25Å; I375-Y532 WeakPolarHBondContact CD1-OH 3.36Å; E530-Y532 PolarHBondContact O-N 2.77Å; E530-Y532 VanDerWaalsContact O-N 3.14Å
533G74.4Confident78.1Confident28 Ų2875 Ų7529%0.28938%0.383SS..SBendtrans-75.6-171.9167.800000112.6Q528 E530 P531Q528-G533 PolarHBondContact NE2-O 3.25Å; E530-G533 PolarHBondContact O-N 3.23Å; P531-G533 PolarHBondContact O-N 3.15Å
534D82.8Confident77.1Confident93 Ų9381.7 Ų81.750%0.49742%0.419SS..  trans-63.5145.6178.3-82.5-47.1000112.7L494 H496L494-D534 HydrophobicContact CD2-CB 4.43Å; H496-D534 IonicContact CE1-OD1 3.48Å; H496-D534 PolarHBondContact CE1-OD1 3.34Å; H496-D534 IonicContact CE1-OD2 3.56Å; H496-D534 IonicContact CG-OD1 3.85Å; H496-D534 IonicContact ND1-OD1 2.72Å; H496-D534 PolarHBondContact ND1-OD1 2.99Å; H496-D534 IonicContact ND1-OD2 3.62Å
535I87.3Confident76.9Confident29 Ų2985.2 Ų85.215%0.14944%0.437CS..  trans-104.4110.3178.3-57174.6000107.7L494 F495 F512 L515 A526 E527 Q528L494-I535 CarbonylContact C-O 3.58Å; L494-I535 WeakPolarHBondContact CA-O 3.44Å; F495-I535 HydrophobicContact CB-CB 3.85Å; F495-I535 HydrophobicContact CB-CG2 4.44Å; F495-I535 WeakPolarHBondContact CB-O 3.45Å; F495-I535 PolarHBondContact N-O 3.22Å; F512-I535 HydrophobicContact CE2-CD1 3.83Å; L515-I535 HydrophobicContact CD2-CG2 4.33Å; A526-I535 HydrophobicContact CB-CG2 4.01Å; E527-I535 CarbonylContact O-C 3.55Å; E527-I535 WeakPolarHBondContact O-CA 3.36Å; Q528-I535 HydrophobicContact CB-CG1 4.4Å; Q528-I535 HydrophobicContact CG-CG1 4.41Å
536A85.6Confident76.7Confident17 Ų1787.6 Ų87.614%0.1445%0.445CS..EExtended strand (participates in β ladder)trans-73.2134.217000000110.1P492 L494 A526 E527P492-A536 HydrophobicContact CB-CB 3.66Å; P492-A536 HydrophobicContact CG-CB 4.31Å; L494-A536 HydrophobicContact CD2-CB 4.38Å; A526-A536 CarbonylContact C-O 3.52Å; A526-A536 WeakPolarHBondContact CA-O 3.33Å; E527-A536 HydrophobicContact CB-CB 4.36Å; E527-A536 PolarHBondContact N-O 3.33Å; E527-A536 PolarHBondContact O-N 3.13Å
537I86Confident76.2Confident22 Ų2290.5 Ų90.511%0.11345%0.454CS..EExtended strand (participates in β ladder)trans-113.6131.7175.7-51.5167.6000108.7V493 F495 V498 L515 I524V493-I537 PolarHBondContact N-O 3.2Å; V493-I537 VanDerWaalsContact N-O 3.13Å; V493-I537 VanDerWaalsContact O-CB 3.25Å; V493-I537 WeakPolarHBondContact O-CB 3.21Å; V493-I537 WeakPolarHBondContact O-CG1 3.21Å; V493-I537 PolarHBondContact O-N 3.08Å; F495-I537 HydrophobicContact CB-CD1 4.24Å; F495-I537 HydrophobicContact CD2-CD1 4.27Å; V498-I537 HydrophobicContact CG2-CD1 3.99Å; L515-I537 HydrophobicContact CD1-CD1 3.61Å; L515-I537 HydrophobicContact CD1-CG1 3.88Å; L515-I537 HydrophobicContact CD1-CG2 4.24Å; I524-I537 HydrophobicContact CB-CG2 4.35Å; I524-I537 HydrophobicContact CD1-CG2 4.14Å
538L82.1Confident75.6Confident43 Ų4388.8 Ų88.823%0.22545%0.448CS..EExtended strand (participates in β ladder)trans-131.1156.4-172.8-69.6167.2000110.8P492 I524 S525 E527P492-L538 HydrophobicContact CB-CD2 4.01Å; I524-L538 CarbonylContact C-O 3.6Å; I524-L538 WeakPolarHBondContact CA-O 3.33Å; I524-L538 WeakPolarHBondContact CB-O 3.47Å; S525-L538 PolarHBondContact N-O 3.23Å; S525-L538 PolarHBondContact O-N 2.86Å; S525-L538 VanDerWaalsContact OG-CB 3.29Å; S525-L538 WeakPolarHBondContact OG-CB 3.49Å; S525-L538 PolarHBondContact OG-O 3.34Å; E527-L538 HydrophobicContact CG-CD1 4.11Å
539P77.5Confident74.9Confident56 Ų5688.5 Ų88.536%0.36445%0.448SS..EExtended strand (participates in β ladder)trans-62.9134.3172.9-21.233.3000112.2L482 L485 S525 Y543L482-P539 HydrophobicContact CD2-CG 4.23Å; L485-P539 HydrophobicContact CB-CG 4.48Å; L485-P539 HydrophobicContact CD1-CG 4.09Å; S525-P539 PolarHBondContact OG-O 3.28Å; P539-Y543 HydrophobicContact CB-CG 4.45Å
540G74.1Confident74.7Confident10 Ų1081.1 Ų81.110%0.10342%0.416CS..  trans-93.9167.4-179.300000113.3K522 R523 R542 Y543K522-G540 CarbonylContact O-C 3.51Å; R523-G540 WeakPolarHBondContact O-CA 3.47Å; R523-G540 PolarHBondContact O-N 2.95Å; G540-R542 PolarHBondContact O-N 3.02Å; G540-Y543 VanDerWaalsContact O-CB 3.29Å; G540-Y543 WeakPolarHBondContact O-CB 3.46Å; G540-Y543 PolarHBondContact O-N 3.43Å; G540-Y543 VanDerWaalsContact O-N 3.08Å
541P70.6Confident74.5Confident117 Ų11776.9 Ų76.976%0.7640%0.399SS*.THydrogen-bonded Turntrans-69.5-4-176.730-37.8000114.8K522K522-P541 HydrophobicContact CB-CG 4.16Å; K522-P541 VanDerWaalsContact O-CD 3.3Å; K522-P541 WeakPolarHBondContact O-CD 3.3Å
542R66.9Low74.8Confident168 Ų16877 Ų7763%0.63439%0.392SS*.THydrogen-bonded Turntrans-125.540.6170.7-62.7-175.3172.8-179-4.1111K522 R523 G540 E544K522-R542 HydrophobicContact CB-CG 4.42Å; K522-R542 PolarHBondContact O-N 3.26Å; R523-R542 WeakPolarHBondContact CA-O 3.36Å; R523-R542 WeakPolarHBondContact CG-O 3.45Å; G540-R542 PolarHBondContact O-N 3.02Å; R542-E544 VanDerWaalsContact C-N 3.33Å
543Y63Low75.4Confident77 Ų7775.5 Ų75.530%0.30239%0.394SS..  trans-65.7-36.2-177.1-180-107.8000112.9L482 R523 P539 G540L482-Y543 WeakPolarHBondContact CB-OH 3.47Å; L482-Y543 HydrophobicContact CD1-CD2 4.34Å; L482-Y543 HydrophobicContact CD1-CE2 3.5Å; L482-Y543 VanDerWaalsContact CD1-CE2 3.5Å; L482-Y543 HydrophobicContact CD2-CD1 4.32Å; L482-Y543 HydrophobicContact CD2-CD2 4.31Å; L482-Y543 HydrophobicContact CD2-CE1 3.68Å; L482-Y543 HydrophobicContact CD2-CE2 3.71Å; L482-Y543 HydrophobicContact CG-CE2 4.11Å; R523-Y543 WeakPolarHBondContact O-CD2 3.25Å; P539-Y543 HydrophobicContact CB-CG 4.45Å; G540-Y543 VanDerWaalsContact O-CB 3.29Å; G540-Y543 WeakPolarHBondContact O-CB 3.46Å; G540-Y543 PolarHBondContact O-N 3.43Å; G540-Y543 VanDerWaalsContact O-N 3.08Å
544E53.9Low75.4Confident246 Ų24679.8 Ų79.8100%1.1540%0.403SS*.  trans-540174.8-62-174.9173.300114.2R542R542-E544 VanDerWaalsContact C-N 3.33Å

Retrieved 544 of 544 residues in 177.3 ms (Link to these results)

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