A0A077YXS5_TRITR Loading...

eIF2A domain containing protein

Functions in the early steps of protein synthesis of a small number of specific mRNAs. Acts by directing the binding of methionyl-tRNAi to 40S ribosomal subunits. In contrast to the eIF-2 complex, it binds methionyl-tRNAi to 40S subunits in a codon-dependent manner, whereas the eIF-2 complex binds methionyl-tRNAi to 40S subunits in a GTP-dependent manner.

AlphaFold DB , UniProt , Accession A0A077YXS5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 244 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
1M60.2Low85.3Confident242 Ų242140.3 Ų140.3100%1.19266%0.655SS**  0141.10-69.4178.2172.900109.1
2K83.5Confident85.7Confident205 Ų205131 Ų13189%0.89162%0.62SS**  trans-76.1123.2172.2-65.8-176.8179.7-177.50109.1
3T86.7Confident86.1Confident135 Ų135132.5 Ų132.583%0.82863%0.626SS**  trans-70.5138.4173.647.40000109.8
4R86.5Confident86.3Confident242 Ų242129.1 Ų129.191%0.91361%0.61SS**  trans-109.4144.3177.1-60.3-175-174.8-166.81.1109.1
5R84.9Confident86.8Confident197 Ų197123.6 Ų123.674%0.74359%0.589SS**  trans-126.3142.5174.5-66.7-176.9178.7177.60.3108.8
6L87.7Confident87.4Confident149 Ų149119.1 Ų119.178%0.7857%0.572SS**  trans-69.9130170.2-176.764.7000108.7S8L6-S8 WeakPolarHBondContact CD1-O 3.19Å
7I87Confident87.9Confident71 Ų71117 Ų11736%0.36456%0.557SS.*  trans-93.2-45.8-179-57.1179.1000110.7F47 I86I7-F47 HydrophobicContact CG2-CD2 3.93Å; I7-F47 HydrophobicContact CG2-CE2 4.12Å; I7-I86 HydrophobicContact CG2-CD1 4.2Å; I7-I86 HydrophobicContact CG2-CG2 3.64Å
8S88.1Confident88.4Confident27 Ų27115 Ų11519%0.18955%0.554CS.*  trans-153.1158.8178.763.70000110.7L6 F47 T48L6-S8 WeakPolarHBondContact CD1-O 3.19Å; S8-F47 WeakPolarHBondContact CB-O 3.49Å; S8-F47 PolarHBondContact OG-O 3.39Å; S8-T48 VanDerWaalsContact CB-C 3.49Å
9H90Very high88.8Confident120 Ų120112.1 Ų112.156%0.55654%0.539SS*.  trans-123.3129.7168.9176.4-79.8000108
10I91.5Very high89.1Confident46 Ų46113.3 Ų113.324%0.23654%0.538CS..  trans-133.8124.5-169.1-56.5166.9000107.6F27 W45I10-F27 HydrophobicContact CD1-CE1 3.76Å; I10-F27 HydrophobicContact CD1-CZ 3.47Å; I10-F27 VanDerWaalsContact CD1-CZ 3.47Å; I10-W45 HydrophobicContact CG2-CD2 3.92Å; I10-W45 HydrophobicContact CG2-CE3 3.72Å; I10-W45 HydrophobicContact CG2-CH2 3.88Å; I10-W45 HydrophobicContact CG2-CZ2 4.08Å; I10-W45 HydrophobicContact CG2-CZ3 3.7Å
11E92.1Very high89.3Confident109 Ų109108.4 Ų108.451%0.50952%0.516SS..  trans-109.7111.6179.2-170.3165-155.100108R96E11-R96 IonicContact OE1-NH2 2.8Å; E11-R96 PolarHBondContact OE1-NH2 2.95Å; E11-R96 IonicContact OE2-NH2 3.72Å; E11-R96 PolarHBondContact OE2-NH2 3.05Å
12A90.7Very high90.8Very high29 Ų2999.2 Ų99.224%0.2447%0.474CS..  trans-122.991-176.100000110T15 T29 W45A12-T15 WeakPolarHBondContact CB-OG1 3.36Å; A12-T15 PolarHBondContact O-OG1 3.18Å; A12-T29 HydrophobicContact CB-CG2 4.26Å; A12-W45 HydrophobicContact CB-CZ2 4.04Å
13E90.4Very high91.1Very high150 Ų15090.8 Ų90.870%0.70144%0.439SS*.THydrogen-bonded Turntrans-55.4148.2-178.7-60.9-174.2173.800112.6T15E13-T15 PolarHBondContact O-N 3.03Å
14Q89.5Confident91.3Very high85 Ų8586.6 Ų86.640%0.39742%0.422SS..THydrogen-bonded Turntrans62.63.2171.1-53.1-175.9-67.100116.6T16 T31 L36Q14-T16 PolarHBondContact O-N 3.25Å; Q14-T31 PolarHBondContact O-OG1 3.17Å; Q14-L36 HydrophobicContact CB-CD2 3.85Å; Q14-L36 HydrophobicContact CG-CD2 4.35Å
15T94.2Very high91.5Very high47 Ų4775.5 Ų75.529%0.28838%0.383SS..  trans-55125.1175.3-56.40000112.1A12 E13 Y17 V18 T29A12-T15 WeakPolarHBondContact CB-OG1 3.36Å; A12-T15 PolarHBondContact O-OG1 3.18Å; E13-T15 PolarHBondContact O-N 3.03Å; T15-Y17 VanDerWaalsContact CG2-O 3.26Å; T15-Y17 WeakPolarHBondContact CG2-O 3.34Å; T15-V18 HydrophobicContact CG2-CG2 3.56Å; T15-T29 HydrophobicContact CG2-CG2 4.25Å
16T95.5Very high92Very high52 Ų5268.4 Ų68.432%0.31936%0.357SS..  trans-109-19.1173.658.40000112.8Q14 A30 T32 R35 L36Q14-T16 PolarHBondContact O-N 3.25Å; T16-A30 PolarHBondContact N-O 3.3Å; T16-A30 PolarHBondContact OG1-O 2.86Å; T16-T32 PolarHBondContact OG1-N 3.14Å; T16-T32 PolarHBondContact OG1-OG1 3.47Å; T16-R35 HydrophobicContact CG2-CB 4.04Å; T16-R35 HydrophobicContact CG2-CG 3.69Å; T16-L36 HydrophobicContact CG2-CB 4.11Å
17Y96.1Very high92.4Very high83 Ų8362.2 Ų62.233%0.32532%0.324SS..EExtended strand (participates in β ladder)trans-139.4140.9-178-175-104.9000111.4T15 E19 L28 T29 A30 I66T15-Y17 VanDerWaalsContact CG2-O 3.26Å; T15-Y17 WeakPolarHBondContact CG2-O 3.34Å; Y17-E19 HydrophobicContact CE1-CB 3.69Å; Y17-E19 VanDerWaalsContact OH-CD 3.28Å; Y17-L28 HydrophobicContact CD1-CD1 3.83Å; Y17-L28 HydrophobicContact CE1-CD1 3.98Å; Y17-T29 CarbonylContact O-C 3.56Å; Y17-T29 WeakPolarHBondContact O-CA 3.05Å; Y17-A30 PolarHBondContact N-O 2.95Å; Y17-A30 PolarHBondContact O-N 2.98Å; Y17-I66 HydrophobicContact CD1-CG2 3.53Å; Y17-I66 HydrophobicContact CE1-CG2 3.83Å
18V96.1Very high92.8Very high81 Ų8159.2 Ų59.249%0.49131%0.309SS..EExtended strand (participates in β ladder)trans-139.7132.2179-177.20000108.6T15 F27 L28 T29T15-V18 HydrophobicContact CG2-CG2 3.56Å; V18-F27 HydrophobicContact CG1-CD2 4.26Å; V18-L28 WeakPolarHBondContact CA-O 3.5Å; V18-T29 HydrophobicContact CG2-CG2 4.22Å
19E95.9Very high93.3Very high60 Ų6058.3 Ų58.328%0.2830%0.303SS..EExtended strand (participates in β ladder)trans-145.7132.4178.8-162.8-174.2-155.900111.2Y17 F27 L28 G67 W68Y17-E19 HydrophobicContact CE1-CB 3.69Å; Y17-E19 VanDerWaalsContact OH-CD 3.28Å; E19-F27 CarbonylContact O-C 3.56Å; E19-F27 WeakPolarHBondContact O-CA 3.19Å; E19-L28 HydrophobicContact CB-CD1 4.1Å; E19-L28 HydrophobicContact CB-CG 4.1Å; E19-L28 PolarHBondContact N-O 2.89Å; E19-L28 VanDerWaalsContact N-O 3.16Å; E19-L28 PolarHBondContact O-N 3.47Å; E19-G67 VanDerWaalsContact OE2-CA 3.26Å; E19-G67 WeakPolarHBondContact OE2-CA 3.46Å; E19-W68 PolarHBondContact O-NE1 2.86Å; E19-W68 PolarHBondContact OE2-N 3.08Å; E19-W68 VanDerWaalsContact OE2-N 3.14Å
20W94.9Very high93.6Very high136 Ų13652.7 Ų52.752%0.51528%0.277SS..EExtended strand (participates in β ladder)trans-78.6139.9174.8-79.985.7000111.1H26 F27 F47 W68W20-H26 VanDerWaalsContact CE3-O 3.27Å; W20-F27 HydrophobicContact CD2-CB 3.66Å; W20-F27 HydrophobicContact CD2-CG 4.38Å; W20-F27 HydrophobicContact CE3-CB 3.82Å; W20-F27 HydrophobicContact CE3-CD1 4.36Å; W20-F27 HydrophobicContact CG-CB 4Å; W20-F27 HydrophobicContact CH2-CB 4.47Å; W20-F27 AromaticContact CH2-CD1 3.6Å; W20-F27 HydrophobicContact CH2-CD1 3.6Å; W20-F27 HydrophobicContact CH2-CE1 4.23Å; W20-F27 HydrophobicContact CH2-CG 4.31Å; W20-F27 HydrophobicContact CZ2-CB 4.34Å; W20-F27 AromaticContact CZ2-CD1 3.8Å; W20-F27 HydrophobicContact CZ2-CD1 3.8Å; W20-F27 HydrophobicContact CZ2-CE1 4.4Å; W20-F27 HydrophobicContact CZ2-CG 4.17Å; W20-F27 HydrophobicContact CZ3-CB 4.22Å; W20-F27 AromaticContact CZ3-CD1 3.9Å; W20-F27 HydrophobicContact CZ3-CD1 3.9Å; W20-F27 HydrophobicContact CZ3-CG 4.48Å; W20-F47 HydrophobicContact CH2-CB 4Å; W20-F47 HydrophobicContact CZ3-CB 4.11Å; W20-W68 PolarHBondContact O-NE1 2.78Å
21C93.1Very high93.8Very high10 Ų1051.1 Ų51.17%0.06827%0.269CS..  trans-65.7142.5169.4-174.40000109.2D23 G24 H26 W68C21-D23 WeakPolarHBondContact CB-OD1 3.33Å; C21-D23 PolarHBondContact O-N 3.23Å; C21-D23 PolarHBondContact SG-OD2 2.74Å; C21-G24 PolarHBondContact O-N 3.48Å; C21-H26 HydrophobicContact CB-CB 3.84Å; C21-H26 WeakPolarHBondContact CB-O 3.16Å; C21-H26 PolarHBondContact N-O 3.01Å; C21-W68 HydrophobicContact CB-CD2 3.98Å; C21-W68 HydrophobicContact CB-CE3 4.21Å; C21-W68 HydrophobicContact CB-CH2 3.82Å; C21-W68 HydrophobicContact CB-CZ2 3.58Å; C21-W68 HydrophobicContact CB-CZ3 4.13Å
22P91.6Very high93.9Very high50 Ų5046.9 Ų46.933%0.32525%0.251SS..THydrogen-bonded Turntrans-58.2-4.417119-31.4000115.6F76P22-F76 HydrophobicContact CB-CD2 4.13Å; P22-F76 HydrophobicContact CB-CE2 3.97Å; P22-F76 HydrophobicContact CG-CD2 4.38Å; P22-F76 HydrophobicContact CG-CE2 3.73Å
23D90.8Very high94.1Very high28 Ų2845.7 Ų45.715%0.1524%0.241CC..THydrogen-bonded Turntrans-82.2-12171.469.517.7000114.8C21 A25 H26 F76 P79C21-D23 WeakPolarHBondContact CB-OD1 3.33Å; C21-D23 PolarHBondContact O-N 3.23Å; C21-D23 PolarHBondContact SG-OD2 2.74Å; D23-A25 PolarHBondContact O-N 3.16Å; D23-A25 VanDerWaalsContact O-N 3.13Å; D23-A25 WeakPolarHBondContact OD1-CA 3.4Å; D23-A25 PolarHBondContact OD1-N 2.84Å; D23-H26 PolarHBondContact OD1-N 3.16Å; D23-H26 IonicContact OD1-ND1 3.65Å; D23-H26 IonicContact OD2-CE1 3.47Å; D23-H26 IonicContact OD2-CG 2.72Å; D23-H26 IonicContact OD2-ND1 2.74Å; D23-H26 PolarHBondContact OD2-ND1 3.48Å; D23-F76 HydrophobicContact CB-CB 3.91Å; D23-F76 HydrophobicContact CB-CD1 3.7Å; D23-F76 HydrophobicContact CB-CD2 4.01Å; D23-F76 HydrophobicContact CB-CE1 4.21Å; D23-F76 HydrophobicContact CB-CE2 4.49Å; D23-F76 HydrophobicContact CB-CG 3.58Å; D23-P79 WeakPolarHBondContact O-CD 3.5Å
24G90.6Very high94.2Very high46 Ų4643.4 Ų43.447%0.47424%0.239SC..SBendtrans68.50.8-177.600000115.7C21C21-G24 PolarHBondContact O-N 3.48Å
25A91.9Very high94.3Very high10 Ų1049.5 Ų49.58%0.08326%0.259CS..SBendtrans-106.8-29179.700000112.7D23 H46 F47 P79D23-A25 PolarHBondContact O-N 3.16Å; D23-A25 VanDerWaalsContact O-N 3.13Å; D23-A25 WeakPolarHBondContact OD1-CA 3.4Å; D23-A25 PolarHBondContact OD1-N 2.84Å; A25-H46 PolarHBondContact O-CD2 3.09Å; A25-F47 HydrophobicContact CB-CD1 4.03Å; A25-F47 HydrophobicContact CB-CE1 4.32Å; A25-F47 WeakPolarHBondContact O-CB 3.42Å; A25-F47 WeakPolarHBondContact O-CD1 3.14Å; A25-F47 PolarHBondContact O-N 3.12Å; A25-P79 HydrophobicContact CB-CB 4.24Å; A25-P79 HydrophobicContact CB-CG 4.2Å
26H94.3Very high94.2Very high47 Ų4749.8 Ų49.822%0.21826%0.258CS..EExtended strand (participates in β ladder)trans-115.4154.7-177.5-59.5100.3000112.3W20 C21 D23 L44 W45 H46 L52W20-H26 VanDerWaalsContact CE3-O 3.27Å; C21-H26 HydrophobicContact CB-CB 3.84Å; C21-H26 WeakPolarHBondContact CB-O 3.16Å; C21-H26 PolarHBondContact N-O 3.01Å; D23-H26 PolarHBondContact OD1-N 3.16Å; D23-H26 IonicContact OD1-ND1 3.65Å; D23-H26 IonicContact OD2-CE1 3.47Å; D23-H26 IonicContact OD2-CG 2.72Å; D23-H26 IonicContact OD2-ND1 2.74Å; D23-H26 PolarHBondContact OD2-ND1 3.48Å; H26-L44 HydrophobicContact CB-CD1 4.05Å; H26-W45 VanDerWaalsContact CA-O 3.29Å; H26-W45 WeakPolarHBondContact CA-O 3.37Å; H26-H46 AromaticContact CD2-CD2 3.72Å; H26-H46 AromaticContact NE2-CD2 3.41Å; H26-H46 PolarHBondContact NE2-CD2 2.8Å; H26-L52 WeakPolarHBondContact CD2-CD1 3.37Å; H26-L52 VanDerWaalsContact NE2-CD1 3.32Å; H26-L52 WeakPolarHBondContact NE2-CD1 3.39Å
27F95.8Very high94Very high19 Ų1954.6 Ų54.68%0.08327%0.27CS..EExtended strand (participates in β ladder)trans-148151.3169.670.3-86000110.6I10 V18 E19 W20 T29 W45I10-F27 HydrophobicContact CD1-CE1 3.76Å; I10-F27 HydrophobicContact CD1-CZ 3.47Å; I10-F27 VanDerWaalsContact CD1-CZ 3.47Å; V18-F27 HydrophobicContact CG1-CD2 4.26Å; E19-F27 CarbonylContact O-C 3.56Å; E19-F27 WeakPolarHBondContact O-CA 3.19Å; W20-F27 HydrophobicContact CD2-CB 3.66Å; W20-F27 HydrophobicContact CD2-CG 4.38Å; W20-F27 HydrophobicContact CE3-CB 3.82Å; W20-F27 HydrophobicContact CE3-CD1 4.36Å; W20-F27 HydrophobicContact CG-CB 4Å; W20-F27 HydrophobicContact CH2-CB 4.47Å; W20-F27 AromaticContact CH2-CD1 3.6Å; W20-F27 HydrophobicContact CH2-CD1 3.6Å; W20-F27 HydrophobicContact CH2-CE1 4.23Å; W20-F27 HydrophobicContact CH2-CG 4.31Å; W20-F27 HydrophobicContact CZ2-CB 4.34Å; W20-F27 AromaticContact CZ2-CD1 3.8Å; W20-F27 HydrophobicContact CZ2-CD1 3.8Å; W20-F27 HydrophobicContact CZ2-CE1 4.4Å; W20-F27 HydrophobicContact CZ2-CG 4.17Å; W20-F27 HydrophobicContact CZ3-CB 4.22Å; W20-F27 AromaticContact CZ3-CD1 3.9Å; W20-F27 HydrophobicContact CZ3-CD1 3.9Å; W20-F27 HydrophobicContact CZ3-CG 4.48Å; F27-T29 HydrophobicContact CD2-CG2 4.12Å; F27-T29 HydrophobicContact CE2-CG2 3.76Å; F27-W45 HydrophobicContact CD1-CB 4Å; F27-W45 HydrophobicContact CD2-CB 4.29Å; F27-W45 HydrophobicContact CE1-CB 3.52Å; F27-W45 HydrophobicContact CE1-CG 4.33Å; F27-W45 HydrophobicContact CE2-CB 3.86Å; F27-W45 AromaticContact CE2-CD1 3.62Å; F27-W45 AromaticContact CE2-CG 3.86Å; F27-W45 HydrophobicContact CE2-CG 3.86Å; F27-W45 HydrophobicContact CG-CB 4.36Å; F27-W45 HydrophobicContact CZ-CB 3.44Å; F27-W45 VanDerWaalsContact CZ-CB 3.44Å; F27-W45 AromaticContact CZ-CD1 4Å; F27-W45 AromaticContact CZ-CG 3.74Å; F27-W45 HydrophobicContact CZ-CG 3.74Å; F27-W45 PolarHBondContact N-O 3.33Å; F27-W45 PolarHBondContact O-N 3.24Å
28L96.4Very high93.8Very high8 Ų855 Ų554%0.04228%0.281CS..EExtended strand (participates in β ladder)trans-102.2150.6175.267.582.2000111.1Y17 V18 E19 A30 K43 I66 W68Y17-L28 HydrophobicContact CD1-CD1 3.83Å; Y17-L28 HydrophobicContact CE1-CD1 3.98Å; V18-L28 WeakPolarHBondContact CA-O 3.5Å; E19-L28 HydrophobicContact CB-CD1 4.1Å; E19-L28 HydrophobicContact CB-CG 4.1Å; E19-L28 PolarHBondContact N-O 2.89Å; E19-L28 VanDerWaalsContact N-O 3.16Å; E19-L28 PolarHBondContact O-N 3.47Å; L28-A30 HydrophobicContact CD1-CB 4.42Å; L28-K43 CarbonylContact C-O 3.53Å; L28-K43 VanDerWaalsContact CA-O 3.29Å; L28-K43 WeakPolarHBondContact CA-O 3.32Å; L28-I66 HydrophobicContact CD1-CD1 4.46Å; L28-I66 HydrophobicContact CD1-CG2 3.73Å; L28-I66 HydrophobicContact CD2-CD1 3.99Å; L28-I66 HydrophobicContact CD2-CG1 3.98Å; L28-I66 HydrophobicContact CD2-CG2 4.45Å; L28-W68 HydrophobicContact CB-CZ2 4.19Å; L28-W68 HydrophobicContact CD2-CD2 4.39Å; L28-W68 HydrophobicContact CD2-CZ2 4.07Å; L28-W68 HydrophobicContact CG-CZ2 4.38Å
29T97.2Very high93.6Very high9 Ų957.3 Ų57.36%0.05529%0.285CS..EExtended strand (participates in β ladder)trans-126.3130.9165.561.40000107.9A12 T15 Y17 V18 F27 F42 K43 W45A12-T29 HydrophobicContact CB-CG2 4.26Å; T15-T29 HydrophobicContact CG2-CG2 4.25Å; Y17-T29 CarbonylContact O-C 3.56Å; Y17-T29 WeakPolarHBondContact O-CA 3.05Å; V18-T29 HydrophobicContact CG2-CG2 4.22Å; F27-T29 HydrophobicContact CD2-CG2 4.12Å; F27-T29 HydrophobicContact CE2-CG2 3.76Å; T29-F42 CarbonylContact O-C 3.58Å; T29-F42 WeakPolarHBondContact O-CA 3.27Å; T29-K43 PolarHBondContact N-O 2.82Å; T29-K43 PolarHBondContact O-N 2.9Å; T29-W45 PolarHBondContact OG1-NE1 3.35Å
30A96.7Very high93.5Very high1 Ų154.6 Ų54.61%0.00827%0.272CS..EExtended strand (participates in β ladder)trans-133.7151.9-177.300000112.9T16 Y17 L28 T32 G41 F42 L63 I66T16-A30 PolarHBondContact N-O 3.3Å; T16-A30 PolarHBondContact OG1-O 2.86Å; Y17-A30 PolarHBondContact N-O 2.95Å; Y17-A30 PolarHBondContact O-N 2.98Å; L28-A30 HydrophobicContact CD1-CB 4.42Å; A30-T32 HydrophobicContact CB-CG2 4.19Å; A30-G41 WeakPolarHBondContact CA-O 3.32Å; A30-F42 HydrophobicContact CB-CB 3.79Å; A30-L63 HydrophobicContact CB-CD2 3.98Å; A30-I66 HydrophobicContact CB-CG2 3.66Å
31T95.9Very high93.5Very high13 Ų1348.2 Ų48.28%0.0825%0.248CC..EExtended strand (participates in β ladder)trans-105.4114.9170.1-56.40000107.4Q14 L36 K39 N40 G41Q14-T31 PolarHBondContact O-OG1 3.17Å; T31-L36 HydrophobicContact CG2-CB 3.94Å; T31-L36 HydrophobicContact CG2-CD2 3.71Å; T31-L36 HydrophobicContact CG2-CG 4.19Å; T31-K39 VanDerWaalsContact CB-O 3.27Å; T31-K39 WeakPolarHBondContact CB-O 3.33Å; T31-K39 VanDerWaalsContact CG2-O 3.32Å; T31-K39 WeakPolarHBondContact CG2-O 3.19Å; T31-N40 WeakPolarHBondContact O-CA 3.29Å; T31-N40 PolarHBondContact O-OD1 3.25Å; T31-G41 PolarHBondContact N-O 2.88Å; T31-G41 PolarHBondContact O-N 2.81Å
32T95.3Very high93.7Very high20 Ų2049.9 Ų49.912%0.12326%0.255CS..  trans-123.3142.7-17159.90000113.2T16 A30 R35 L36 N40 L63T16-T32 PolarHBondContact OG1-N 3.14Å; T16-T32 PolarHBondContact OG1-OG1 3.47Å; A30-T32 HydrophobicContact CB-CG2 4.19Å; T32-R35 PolarHBondContact O-N 3.29Å; T32-L36 CarbonylContact C-O 3.59Å; T32-L36 PolarHBondContact O-N 3.33Å; T32-N40 WeakPolarHBondContact CA-OD1 3.35Å; T32-L63 CarbonylContact C-O 3.49Å; T32-L63 WeakPolarHBondContact CA-O 3.29Å; T32-L63 WeakPolarHBondContact CB-O 3.44Å; T32-L63 HydrophobicContact CG2-CD2 4.05Å; T32-L63 HydrophobicContact CG2-CG 4.08Å
33A93.4Very high93.9Very high4 Ų449.9 Ų49.93%0.03325%0.249CC..THydrogen-bonded Turntrans-81.8151.316700000110.1N40 Q62 L63 L64A33-N40 PolarHBondContact N-OD1 2.81Å; A33-N40 VanDerWaalsContact N-OD1 3.12Å; A33-Q62 HydrophobicContact CB-CB 3.87Å; A33-Q62 HydrophobicContact CB-CG 4.22Å; A33-L63 PolarHBondContact N-O 2.96Å; A33-L64 HydrophobicContact CB-CD2 4.3Å
34P92.3Very high94.2Very high102 Ų10250.6 Ų50.666%0.66225%0.253SS*.THydrogen-bonded Turncis-81.4-5.35.933.3-36.7000114.6L36P34-L36 PolarHBondContact O-N 2.94Å
35R92Very high94.5Very high214 Ų21449.3 Ų49.381%0.80823%0.234SC*.THydrogen-bonded Turntrans-63.5-41.9-172.7-177.460.3177.8-158.41.5113.1T16 T32T16-R35 HydrophobicContact CG2-CB 4.04Å; T16-R35 HydrophobicContact CG2-CG 3.69Å; T32-R35 PolarHBondContact O-N 3.29Å
36L91.9Very high94.6Very high52 Ų5250.8 Ų50.827%0.27224%0.239SC..  trans-136.1124.4169.7-163.165.3000110Q14 T16 T31 T32 P34 N40Q14-L36 HydrophobicContact CB-CD2 3.85Å; Q14-L36 HydrophobicContact CG-CD2 4.35Å; T16-L36 HydrophobicContact CG2-CB 4.11Å; T31-L36 HydrophobicContact CG2-CB 3.94Å; T31-L36 HydrophobicContact CG2-CD2 3.71Å; T31-L36 HydrophobicContact CG2-CG 4.19Å; T32-L36 CarbonylContact C-O 3.59Å; T32-L36 PolarHBondContact O-N 3.33Å; P34-L36 PolarHBondContact O-N 2.94Å; L36-N40 PolarHBondContact O-ND2 3.38Å; L36-N40 PolarHBondContact O-OD1 2.97Å
37R91.9Very high94.5Very high153 Ų15349.8 Ų49.858%0.57723%0.234SC*.  trans-94.4-2.8-179.3-62.3-173.3-171.1-93.79.1113.8N40R37-N40 WeakPolarHBondContact CA-ND2 3.26Å; R37-N40 PolarHBondContact O-ND2 2.84Å
38V92.1Very high94.2Very high93 Ų9349.1 Ų49.156%0.56423%0.232SC*.SBendtrans-109.2140.6-177.91790000109.2N40V38-N40 VanDerWaalsContact C-N 3.31Å; V38-N40 PolarHBondContact O-N 3.24Å
39K90.9Very high94Very high128 Ų12849.2 Ų49.256%0.55723%0.234SC*.SBendtrans50.547.8-179.6-67.8169.8171.6-172.50113T31T31-K39 VanDerWaalsContact CB-O 3.27Å; T31-K39 WeakPolarHBondContact CB-O 3.33Å; T31-K39 VanDerWaalsContact CG2-O 3.32Å; T31-K39 WeakPolarHBondContact CG2-O 3.19Å
40N94.9Very high93.7Very high4 Ų453.5 Ų53.52%0.02125%0.252CS..  trans-66.5137.4173.1-87.3-95.9000110.1T31 T32 A33 L36 R37 V38 L57 L63T31-N40 WeakPolarHBondContact O-CA 3.29Å; T31-N40 PolarHBondContact O-OD1 3.25Å; T32-N40 WeakPolarHBondContact CA-OD1 3.35Å; A33-N40 PolarHBondContact N-OD1 2.81Å; A33-N40 VanDerWaalsContact N-OD1 3.12Å; L36-N40 PolarHBondContact O-ND2 3.38Å; L36-N40 PolarHBondContact O-OD1 2.97Å; R37-N40 WeakPolarHBondContact CA-ND2 3.26Å; R37-N40 PolarHBondContact O-ND2 2.84Å; V38-N40 VanDerWaalsContact C-N 3.31Å; V38-N40 PolarHBondContact O-N 3.24Å; N40-L57 HydrophobicContact CB-CD1 4.37Å; N40-L57 WeakPolarHBondContact O-CB 3.44Å; N40-L57 PolarHBondContact O-N 3Å; N40-L63 HydrophobicContact CB-CB 4.12Å; N40-L63 PolarHBondContact OD1-N 2.79Å; N40-L63 VanDerWaalsContact OD1-N 3.09Å; N40-L63 PolarHBondContact OD1-O 2.85Å
41G94.9Very high93.6Very high1 Ų156 Ų561%0.0127%0.265CS..EExtended strand (participates in β ladder)trans161-178-171.500000112.3A30 T31 K55 L63A30-G41 WeakPolarHBondContact CA-O 3.32Å; T31-G41 PolarHBondContact N-O 2.88Å; T31-G41 PolarHBondContact O-N 2.81Å; G41-K55 CarbonylContact C-O 3.58Å; G41-K55 WeakPolarHBondContact CA-O 3.35Å; G41-L63 WeakPolarHBondContact O-CD2 3.39Å
42F96.4Very high93.5Very high46 Ų4659 Ų5920%0.20228%0.28CS..EExtended strand (participates in β ladder)trans-145.4158.8178.567.6-90.9000112.9T29 A30 Y53 K55 L63 I66T29-F42 CarbonylContact O-C 3.58Å; T29-F42 WeakPolarHBondContact O-CA 3.27Å; A30-F42 HydrophobicContact CB-CB 3.79Å; F42-Y53 AromaticContact CE2-CD1 3.87Å; F42-Y53 HydrophobicContact CE2-CD1 3.87Å; F42-Y53 AromaticContact CE2-CE1 3.8Å; F42-Y53 HydrophobicContact CE2-CE1 3.8Å; F42-Y53 HydrophobicContact CZ-CD1 4.45Å; F42-Y53 AromaticContact CZ-CE1 3.93Å; F42-Y53 HydrophobicContact CZ-CE1 3.93Å; F42-K55 HydrophobicContact CD1-CB 4.31Å; F42-K55 HydrophobicContact CE1-CB 3.95Å; F42-K55 HydrophobicContact CE1-CD 3.83Å; F42-K55 HydrophobicContact CE1-CG 4.26Å; F42-K55 HydrophobicContact CE2-CB 4.45Å; F42-K55 HydrophobicContact CZ-CB 4.01Å; F42-K55 HydrophobicContact CZ-CD 4.04Å; F42-K55 PolarHBondContact N-O 2.74Å; F42-K55 PolarHBondContact O-N 3.39Å; F42-L63 HydrophobicContact CB-CD2 4.44Å; F42-L63 HydrophobicContact CD1-CD2 4.45Å; F42-I66 HydrophobicContact CB-CD1 3.58Å; F42-I66 HydrophobicContact CD1-CD1 3.56Å; F42-I66 HydrophobicContact CD2-CD1 3.73Å; F42-I66 HydrophobicContact CE1-CD1 4.09Å; F42-I66 HydrophobicContact CE2-CD1 4.25Å; F42-I66 HydrophobicContact CG-CD1 3.35Å; F42-I66 HydrophobicContact CZ-CD1 4.41Å
43K96.4Very high93.6Very high50 Ų5063.8 Ų63.822%0.21730%0.297CS..EExtended strand (participates in β ladder)trans-129.8138.7177.2-57.8-177.4-172.2-125.50108.9L28 T29 W45 L51 Y53 E54L28-K43 CarbonylContact C-O 3.53Å; L28-K43 VanDerWaalsContact CA-O 3.29Å; L28-K43 WeakPolarHBondContact CA-O 3.32Å; T29-K43 PolarHBondContact N-O 2.82Å; T29-K43 PolarHBondContact O-N 2.9Å; K43-W45 HydrophobicContact CB-CZ2 4.27Å; K43-W45 HydrophobicContact CD-CZ2 3.77Å; K43-L51 HydrophobicContact CB-CD1 3.76Å; K43-L51 HydrophobicContact CD-CD1 4.31Å; K43-L51 HydrophobicContact CG-CD1 4.3Å; K43-Y53 CarbonylContact C-O 3.51Å; K43-Y53 WeakPolarHBondContact CA-O 3.26Å; K43-E54 VanDerWaalsContact CE-CD 3.42Å; K43-E54 WeakPolarHBondContact CE-OE1 3.33Å; K43-E54 WeakPolarHBondContact CE-OE2 3.31Å; K43-E54 HydrophobicContact CG-CB 4.21Å; K43-E54 HydrophobicContact CG-CG 3.95Å; K43-E54 IonicContact NZ-OE1 2.69Å; K43-E54 PolarHBondContact NZ-OE1 2.83Å; K43-E54 IonicContact NZ-OE2 3.67Å; K43-E54 PolarHBondContact NZ-OE2 2.92Å
44L97Very high93.7Very high42 Ų4267.1 Ų67.122%0.2231%0.312CS..EExtended strand (participates in β ladder)trans-106.8124175.117659.2000109.3H26 L52 Y53 W68H26-L44 HydrophobicContact CB-CD1 4.05Å; L44-L52 HydrophobicContact CD2-CB 4.43Å; L44-L52 HydrophobicContact CG-CB 4.29Å; L44-L52 PolarHBondContact O-N 2.86Å; L44-Y53 PolarHBondContact N-O 3.16Å; L44-Y53 PolarHBondContact O-N 2.86Å; L44-W68 HydrophobicContact CD1-CH2 3.54Å; L44-W68 HydrophobicContact CD1-CZ2 3.85Å
45W96.2Very high93.8Very high19 Ų1966.7 Ų66.77%0.07230%0.299CS..EExtended strand (participates in β ladder)trans-116.2147.3-178-55.290.8000110.7I10 A12 H26 F27 T29 K43 L51I10-W45 HydrophobicContact CG2-CD2 3.92Å; I10-W45 HydrophobicContact CG2-CE3 3.72Å; I10-W45 HydrophobicContact CG2-CH2 3.88Å; I10-W45 HydrophobicContact CG2-CZ2 4.08Å; I10-W45 HydrophobicContact CG2-CZ3 3.7Å; A12-W45 HydrophobicContact CB-CZ2 4.04Å; H26-W45 VanDerWaalsContact CA-O 3.29Å; H26-W45 WeakPolarHBondContact CA-O 3.37Å; F27-W45 HydrophobicContact CD1-CB 4Å; F27-W45 HydrophobicContact CD2-CB 4.29Å; F27-W45 HydrophobicContact CE1-CB 3.52Å; F27-W45 HydrophobicContact CE1-CG 4.33Å; F27-W45 HydrophobicContact CE2-CB 3.86Å; F27-W45 AromaticContact CE2-CD1 3.62Å; F27-W45 AromaticContact CE2-CG 3.86Å; F27-W45 HydrophobicContact CE2-CG 3.86Å; F27-W45 HydrophobicContact CG-CB 4.36Å; F27-W45 HydrophobicContact CZ-CB 3.44Å; F27-W45 VanDerWaalsContact CZ-CB 3.44Å; F27-W45 AromaticContact CZ-CD1 4Å; F27-W45 AromaticContact CZ-CG 3.74Å; F27-W45 HydrophobicContact CZ-CG 3.74Å; F27-W45 PolarHBondContact N-O 3.33Å; F27-W45 PolarHBondContact O-N 3.24Å; T29-W45 PolarHBondContact OG1-NE1 3.35Å; K43-W45 HydrophobicContact CB-CZ2 4.27Å; K43-W45 HydrophobicContact CD-CZ2 3.77Å; W45-L51 HydrophobicContact CD2-CD1 4.01Å; W45-L51 HydrophobicContact CE3-CB 3.9Å; W45-L51 HydrophobicContact CE3-CD1 4.07Å; W45-L51 HydrophobicContact CH2-CB 4.35Å; W45-L51 HydrophobicContact CH2-CD1 4.12Å; W45-L51 HydrophobicContact CZ2-CD1 4.04Å; W45-L51 HydrophobicContact CZ3-CB 3.73Å; W45-L51 HydrophobicContact CZ3-CD1 4.13Å; W45-L51 HydrophobicContact CZ3-CG 4.44Å
46H94.2Very high93.9Very high42 Ų4260.9 Ų60.919%0.19428%0.281CS..EExtended strand (participates in β ladder)trans-90.7148.8161.4-173-119.2000109.7A25 H26 T48 G49 K50 L52A25-H46 PolarHBondContact O-CD2 3.09Å; H26-H46 AromaticContact CD2-CD2 3.72Å; H26-H46 AromaticContact NE2-CD2 3.41Å; H26-H46 PolarHBondContact NE2-CD2 2.8Å; H46-T48 VanDerWaalsContact CE1-CG2 3.5Å; H46-T48 WeakPolarHBondContact CE1-CG2 3.46Å; H46-T48 WeakPolarHBondContact ND1-CG2 3.14Å; H46-T48 PolarHBondContact ND1-OG1 2.8Å; H46-T48 PolarHBondContact O-N 2.84Å; H46-G49 PolarHBondContact O-N 2.76Å; H46-K50 HydrophobicContact CB-CB 4.37Å; H46-K50 PolarHBondContact N-O 3.05Å; H46-L52 HydrophobicContact CB-CD1 4.17Å; H46-L52 HydrophobicContact CB-CD2 4.45Å; H46-L52 HydrophobicContact CB-CG 4.25Å
47F92.4Very high94Very high26 Ų2660.2 Ų60.211%0.11428%0.278CS..THydrogen-bonded Turntrans-56.7-18.1-17876.4-91.6000114.6I7 S8 W20 A25 G49 I81 I86I7-F47 HydrophobicContact CG2-CD2 3.93Å; I7-F47 HydrophobicContact CG2-CE2 4.12Å; S8-F47 WeakPolarHBondContact CB-O 3.49Å; S8-F47 PolarHBondContact OG-O 3.39Å; W20-F47 HydrophobicContact CH2-CB 4Å; W20-F47 HydrophobicContact CZ3-CB 4.11Å; A25-F47 HydrophobicContact CB-CD1 4.03Å; A25-F47 HydrophobicContact CB-CE1 4.32Å; A25-F47 WeakPolarHBondContact O-CB 3.42Å; A25-F47 WeakPolarHBondContact O-CD1 3.14Å; A25-F47 PolarHBondContact O-N 3.12Å; F47-G49 PolarHBondContact O-N 3.13Å; F47-I81 HydrophobicContact CE2-CD1 4.46Å; F47-I81 HydrophobicContact CE2-CG1 4.36Å; F47-I81 HydrophobicContact CE2-CG2 4.1Å; F47-I81 HydrophobicContact CZ-CG1 4.23Å; F47-I81 HydrophobicContact CZ-CG2 4.48Å; F47-I86 HydrophobicContact CE2-CD1 3.65Å; F47-I86 HydrophobicContact CE2-CG1 4.42Å; F47-I86 HydrophobicContact CZ-CD1 4.13Å
48T91Very high94.1Very high5 Ų557.3 Ų57.33%0.03128%0.279CS..THydrogen-bonded Turntrans-78.91173.566.30000114.3S8 H46 I86S8-T48 VanDerWaalsContact CB-C 3.49Å; H46-T48 VanDerWaalsContact CE1-CG2 3.5Å; H46-T48 WeakPolarHBondContact CE1-CG2 3.46Å; H46-T48 WeakPolarHBondContact ND1-CG2 3.14Å; H46-T48 PolarHBondContact ND1-OG1 2.8Å; H46-T48 PolarHBondContact O-N 2.84Å; T48-I86 HydrophobicContact CG2-CB 4.35Å; T48-I86 HydrophobicContact CG2-CD1 4.5Å; T48-I86 HydrophobicContact CG2-CG1 3.88Å; T48-I86 HydrophobicContact CG2-CG2 3.7Å
49G90.7Very high94Very high9 Ų962.3 Ų62.39%0.09330%0.296CS..SBendtrans84.89.4-176.600000115.4H46 F47H46-G49 PolarHBondContact O-N 2.76Å; F47-G49 PolarHBondContact O-N 3.13Å
50K91.1Very high94Very high99 Ų9960 Ų6043%0.4331%0.308SS..  trans-80.9120.5174-173.4-178.1175.7-1730109.7H46 L52H46-K50 HydrophobicContact CB-CB 4.37Å; H46-K50 PolarHBondContact N-O 3.05Å; K50-L52 HydrophobicContact CD-CD2 3.83Å; K50-L52 HydrophobicContact CG-CD2 4.04Å; K50-L52 PolarHBondContact O-N 2.81Å
51L93.9Very high93.9Very high55 Ų5563.1 Ų63.129%0.28833%0.327SS..EExtended strand (participates in β ladder)trans-66.6122.8163.9-176.564.2000108.9K43 W45 Y53 E54K43-L51 HydrophobicContact CB-CD1 3.76Å; K43-L51 HydrophobicContact CD-CD1 4.31Å; K43-L51 HydrophobicContact CG-CD1 4.3Å; W45-L51 HydrophobicContact CD2-CD1 4.01Å; W45-L51 HydrophobicContact CE3-CB 3.9Å; W45-L51 HydrophobicContact CE3-CD1 4.07Å; W45-L51 HydrophobicContact CH2-CB 4.35Å; W45-L51 HydrophobicContact CH2-CD1 4.12Å; W45-L51 HydrophobicContact CZ2-CD1 4.04Å; W45-L51 HydrophobicContact CZ3-CB 3.73Å; W45-L51 HydrophobicContact CZ3-CD1 4.13Å; W45-L51 HydrophobicContact CZ3-CG 4.44Å; L51-Y53 WeakPolarHBondContact CD1-O 3.43Å; L51-E54 HydrophobicContact CD2-CB 4.41Å
52L95Very high93.8Very high75 Ų7566.8 Ų66.839%0.39334%0.344SS..EExtended strand (participates in β ladder)trans-100.2-38.3179.9-62.7-174.8000112.5H26 L44 H46 K50H26-L52 WeakPolarHBondContact CD2-CD1 3.37Å; H26-L52 VanDerWaalsContact NE2-CD1 3.32Å; H26-L52 WeakPolarHBondContact NE2-CD1 3.39Å; L44-L52 HydrophobicContact CD2-CB 4.43Å; L44-L52 HydrophobicContact CG-CB 4.29Å; L44-L52 PolarHBondContact O-N 2.86Å; H46-L52 HydrophobicContact CB-CD1 4.17Å; H46-L52 HydrophobicContact CB-CD2 4.45Å; H46-L52 HydrophobicContact CB-CG 4.25Å; K50-L52 HydrophobicContact CD-CD2 3.83Å; K50-L52 HydrophobicContact CG-CD2 4.04Å; K50-L52 PolarHBondContact O-N 2.81Å
53Y96.3Very high93.8Very high120 Ų12065.6 Ų65.647%0.47134%0.34SS..EExtended strand (participates in β ladder)trans-151145.4-178.4-177.9-107.3000110.3F42 K43 L44 L51 K55F42-Y53 AromaticContact CE2-CD1 3.87Å; F42-Y53 HydrophobicContact CE2-CD1 3.87Å; F42-Y53 AromaticContact CE2-CE1 3.8Å; F42-Y53 HydrophobicContact CE2-CE1 3.8Å; F42-Y53 HydrophobicContact CZ-CD1 4.45Å; F42-Y53 AromaticContact CZ-CE1 3.93Å; F42-Y53 HydrophobicContact CZ-CE1 3.93Å; K43-Y53 CarbonylContact C-O 3.51Å; K43-Y53 WeakPolarHBondContact CA-O 3.26Å; L44-Y53 PolarHBondContact N-O 3.16Å; L44-Y53 PolarHBondContact O-N 2.86Å; L51-Y53 WeakPolarHBondContact CD1-O 3.43Å; Y53-K55 HydrophobicContact CE1-CB 3.65Å; Y53-K55 HydrophobicContact CE1-CD 4.46Å
54E95.7Very high93.8Very high75 Ų7569.4 Ų69.435%0.3536%0.362SS..EExtended strand (participates in β ladder)trans-138.4130.8173.6171.4159.5-174.400109K43 L51 Q56K43-E54 VanDerWaalsContact CE-CD 3.42Å; K43-E54 WeakPolarHBondContact CE-OE1 3.33Å; K43-E54 WeakPolarHBondContact CE-OE2 3.31Å; K43-E54 HydrophobicContact CG-CB 4.21Å; K43-E54 HydrophobicContact CG-CG 3.95Å; K43-E54 IonicContact NZ-OE1 2.69Å; K43-E54 PolarHBondContact NZ-OE1 2.83Å; K43-E54 IonicContact NZ-OE2 3.67Å; K43-E54 PolarHBondContact NZ-OE2 2.92Å; L51-E54 HydrophobicContact CD2-CB 4.41Å; E54-Q56 HydrophobicContact CG-CG 4.48Å; E54-Q56 PolarHBondContact OE1-NE2 3.35Å
55K95.3Very high93.6Very high93 Ų9375.4 Ų75.440%0.40439%0.389SS..EExtended strand (participates in β ladder)trans-129.8103.4174.9-176.8172.6-179.8178.40109.4G41 F42 Y53G41-K55 CarbonylContact C-O 3.58Å; G41-K55 WeakPolarHBondContact CA-O 3.35Å; F42-K55 HydrophobicContact CD1-CB 4.31Å; F42-K55 HydrophobicContact CE1-CB 3.95Å; F42-K55 HydrophobicContact CE1-CD 3.83Å; F42-K55 HydrophobicContact CE1-CG 4.26Å; F42-K55 HydrophobicContact CE2-CB 4.45Å; F42-K55 HydrophobicContact CZ-CB 4.01Å; F42-K55 HydrophobicContact CZ-CD 4.04Å; F42-K55 PolarHBondContact N-O 2.74Å; F42-K55 PolarHBondContact O-N 3.39Å; Y53-K55 HydrophobicContact CE1-CB 3.65Å; Y53-K55 HydrophobicContact CE1-CD 4.46Å
56Q94.8Very high93.6Very high91 Ų9175.7 Ų75.743%0.42539%0.392SS..EExtended strand (participates in β ladder)trans-79.7136.9163.7-62.2-62.2-23.900108.6E54E54-Q56 HydrophobicContact CG-CG 4.48Å; E54-Q56 PolarHBondContact OE1-NE2 3.35Å
57L94Very high93.6Very high39 Ų3975.8 Ų75.820%0.20440%0.404CS..PPolyproline II helixtrans-83.9151.1172.7-60.9-177.8000110.3N40 T61 L63N40-L57 HydrophobicContact CB-CD1 4.37Å; N40-L57 WeakPolarHBondContact O-CB 3.44Å; N40-L57 PolarHBondContact O-N 3Å; L57-T61 HydrophobicContact CB-CG2 4.34Å; L57-T61 HydrophobicContact CD1-CG2 4.11Å; L57-L63 HydrophobicContact CD1-CB 3.76Å; L57-L63 HydrophobicContact CD1-CD1 4.39Å
58P93.3Very high93.6Very high91 Ų9178.2 Ų78.259%0.59141%0.412SS*.PPolyproline II helixtrans-57.8149.8173.5-22.733.7000111.9T61P58-T61 WeakPolarHBondContact O-CB 3.49Å; P58-T61 PolarHBondContact O-N 2.86Å; P58-T61 PolarHBondContact O-OG1 2.86Å
59E90.6Very high93.6Very high199 Ų19981.3 Ų81.393%0.9344%0.435SS*.THydrogen-bonded Turntrans-54.7144.1175.6-61.9-170.8168.900111.5T61E59-T61 PolarHBondContact O-N 3.4Å
60G89.3Confident93.4Very high78 Ų7885.9 Ų85.980%0.80446%0.462SS*.THydrogen-bonded Turntrans80.7-23.3-17000000114.9
61T93.3Very high92.9Very high70 Ų7087.7 Ų87.743%0.42947%0.472SS..  trans-82.2138.2175.7-44.20000110.6L57 P58 E59L57-T61 HydrophobicContact CB-CG2 4.34Å; L57-T61 HydrophobicContact CD1-CG2 4.11Å; P58-T61 WeakPolarHBondContact O-CB 3.49Å; P58-T61 PolarHBondContact O-N 2.86Å; P58-T61 PolarHBondContact O-OG1 2.86Å; E59-T61 PolarHBondContact O-N 3.4Å
62Q93.5Very high91.9Very high78 Ų7885.7 Ų85.736%0.36447%0.465SS..  trans-118.8135.9-177.4-67176.74100110.8A33A33-Q62 HydrophobicContact CB-CB 3.87Å; A33-Q62 HydrophobicContact CB-CG 4.22Å
63L95.4Very high91Very high22 Ų2286.8 Ų86.812%0.11548%0.475CS..  trans-90.3105.8172.7-175.662.9000107.6A30 T32 A33 N40 G41 F42 L57 Q65 I66A30-L63 HydrophobicContact CB-CD2 3.98Å; T32-L63 CarbonylContact C-O 3.49Å; T32-L63 WeakPolarHBondContact CA-O 3.29Å; T32-L63 WeakPolarHBondContact CB-O 3.44Å; T32-L63 HydrophobicContact CG2-CD2 4.05Å; T32-L63 HydrophobicContact CG2-CG 4.08Å; A33-L63 PolarHBondContact N-O 2.96Å; N40-L63 HydrophobicContact CB-CB 4.12Å; N40-L63 PolarHBondContact OD1-N 2.79Å; N40-L63 VanDerWaalsContact OD1-N 3.09Å; N40-L63 PolarHBondContact OD1-O 2.85Å; G41-L63 WeakPolarHBondContact O-CD2 3.39Å; F42-L63 HydrophobicContact CB-CD2 4.44Å; F42-L63 HydrophobicContact CD1-CD2 4.45Å; L57-L63 HydrophobicContact CD1-CB 3.76Å; L57-L63 HydrophobicContact CD1-CD1 4.39Å; L63-Q65 WeakPolarHBondContact CD1-O 3.5Å; L63-I66 HydrophobicContact CD2-CB 4.5Å
64L95.8Very high90.2Very high129 Ų12984.8 Ų84.868%0.67549%0.491SS*.  trans-78.2-45.6-179.1-58.7-179.9000111.6A33A33-L64 HydrophobicContact CB-CD2 4.3Å
65Q94.8Very high89.7Confident168 Ų16889.8 Ų89.879%0.78551%0.506SS*.  trans-148151.3-178.9-173.3172.9-2.200109.5L63L63-Q65 WeakPolarHBondContact CD1-O 3.5Å
66I94.8Very high89.3Confident26 Ų2689.9 Ų89.913%0.13351%0.507CS..  trans-135153.3164.5-170.1167.3000106.9Y17 L28 A30 F42 L63Y17-I66 HydrophobicContact CD1-CG2 3.53Å; Y17-I66 HydrophobicContact CE1-CG2 3.83Å; L28-I66 HydrophobicContact CD1-CD1 4.46Å; L28-I66 HydrophobicContact CD1-CG2 3.73Å; L28-I66 HydrophobicContact CD2-CD1 3.99Å; L28-I66 HydrophobicContact CD2-CG1 3.98Å; L28-I66 HydrophobicContact CD2-CG2 4.45Å; A30-I66 HydrophobicContact CB-CG2 3.66Å; F42-I66 HydrophobicContact CB-CD1 3.58Å; F42-I66 HydrophobicContact CD1-CD1 3.56Å; F42-I66 HydrophobicContact CD2-CD1 3.73Å; F42-I66 HydrophobicContact CE1-CD1 4.09Å; F42-I66 HydrophobicContact CE2-CD1 4.25Å; F42-I66 HydrophobicContact CG-CD1 3.35Å; F42-I66 HydrophobicContact CZ-CD1 4.41Å; L63-I66 HydrophobicContact CD2-CB 4.5Å
67G94.5Very high88.8Confident44 Ų4491.9 Ų91.945%0.45453%0.525SS..  trans-164.9158.9174.900000111.3E19E19-G67 VanDerWaalsContact OE2-CA 3.26Å; E19-G67 WeakPolarHBondContact OE2-CA 3.46Å
68W93.1Very high88.3Confident76 Ų7698.7 Ų98.729%0.28856%0.556SS.*  trans-73.4148.1171.2-67.4101.5000112E19 W20 C21 L28 L44E19-W68 PolarHBondContact O-NE1 2.86Å; E19-W68 PolarHBondContact OE2-N 3.08Å; E19-W68 VanDerWaalsContact OE2-N 3.14Å; W20-W68 PolarHBondContact O-NE1 2.78Å; C21-W68 HydrophobicContact CB-CD2 3.98Å; C21-W68 HydrophobicContact CB-CE3 4.21Å; C21-W68 HydrophobicContact CB-CH2 3.82Å; C21-W68 HydrophobicContact CB-CZ2 3.58Å; C21-W68 HydrophobicContact CB-CZ3 4.13Å; L28-W68 HydrophobicContact CB-CZ2 4.19Å; L28-W68 HydrophobicContact CD2-CD2 4.39Å; L28-W68 HydrophobicContact CD2-CZ2 4.07Å; L28-W68 HydrophobicContact CG-CZ2 4.38Å; L44-W68 HydrophobicContact CD1-CH2 3.54Å; L44-W68 HydrophobicContact CD1-CZ2 3.85Å
69S90.9Very high87.8Confident71 Ų7196.4 Ų96.450%0.49754%0.541SS..  trans-68129.3171.9177.40000109.8E71S69-E71 PolarHBondContact O-N 3.41Å
70P85.6Confident87.4Confident104 Ų10496.7 Ų96.768%0.67554%0.535SS*.G310 helixtrans-66.1-23-178.427.8-35.5000112.4G72 T73P70-G72 PolarHBondContact O-N 2.96Å; P70-G72 VanDerWaalsContact O-N 3.16Å; P70-T73 WeakPolarHBondContact O-CB 3.37Å; P70-T73 PolarHBondContact O-N 3.44Å; P70-T73 VanDerWaalsContact O-N 3.08Å; P70-T73 PolarHBondContact O-OG1 3.26Å
71E81.9Confident87.2Confident137 Ų13796.7 Ų96.764%0.6452%0.516SS*.G310 helixtrans-60.3-28.4-173-62.4-174.116800114.1S69 T73 R75S69-E71 PolarHBondContact O-N 3.41Å; E71-T73 VanDerWaalsContact C-N 3.29Å; E71-T73 PolarHBondContact O-N 2.7Å; E71-R75 PolarHBondContact O-NH1 3.4Å; E71-R75 PolarHBondContact O-NH2 2.91Å
72G72.7Confident86.6Confident13 Ų1395.2 Ų95.213%0.13451%0.505CS..G310 helixtrans-74-18.2179.400000114.1P70 G74 R75 F76P70-G72 PolarHBondContact O-N 2.96Å; P70-G72 VanDerWaalsContact O-N 3.16Å; G72-G74 PolarHBondContact O-N 3.32Å; G72-R75 PolarHBondContact O-N 2.89Å; G72-F76 WeakPolarHBondContact O-CD2 3.5Å; G72-F76 WeakPolarHBondContact O-CE2 3.36Å
73T75.2Confident85.8Confident99 Ų9995 Ų9561%0.60751%0.509SS*.THydrogen-bonded Turntrans-59.4119.7-170.2-460000111.2P70 E71P70-T73 WeakPolarHBondContact O-CB 3.37Å; P70-T73 PolarHBondContact O-N 3.44Å; P70-T73 VanDerWaalsContact O-N 3.08Å; P70-T73 PolarHBondContact O-OG1 3.26Å; E71-T73 VanDerWaalsContact C-N 3.29Å; E71-T73 PolarHBondContact O-N 2.7Å
74G79Confident84.9Confident77 Ų77100.9 Ų100.979%0.79454%0.536SS*.THydrogen-bonded Turntrans85.1-2.3-177.600000116.1G72G72-G74 PolarHBondContact O-N 3.32Å
75R86.3Confident83.9Confident181 Ų181101.8 Ų101.868%0.68353%0.534SS*.THydrogen-bonded Turntrans-93.8-9.2172.7-64.8-157-73.7-104.210.5114.3E71 G72E71-R75 PolarHBondContact O-NH1 3.4Å; E71-R75 PolarHBondContact O-NH2 2.91Å; G72-R75 PolarHBondContact O-N 2.89Å
76F85.8Confident82.7Confident94 Ų9494.6 Ų94.641%0.41250%0.501SS..SBendtrans-84.8137.9-179.2-57.9-70.7000111.9P22 D23 G72P22-F76 HydrophobicContact CB-CD2 4.13Å; P22-F76 HydrophobicContact CB-CE2 3.97Å; P22-F76 HydrophobicContact CG-CD2 4.38Å; P22-F76 HydrophobicContact CG-CE2 3.73Å; D23-F76 HydrophobicContact CB-CB 3.91Å; D23-F76 HydrophobicContact CB-CD1 3.7Å; D23-F76 HydrophobicContact CB-CD2 4.01Å; D23-F76 HydrophobicContact CB-CE1 4.21Å; D23-F76 HydrophobicContact CB-CE2 4.49Å; D23-F76 HydrophobicContact CB-CG 3.58Å; G72-F76 WeakPolarHBondContact O-CD2 3.5Å; G72-F76 WeakPolarHBondContact O-CE2 3.36Å
77V84.6Confident81.4Confident134 Ų13497.8 Ų97.881%0.81253%0.526SS*.PPolyproline II helixtrans-76.7135.2170.1-179.20000108.6
78E83.7Confident79.9Confident182 Ų182100.1 Ų100.185%0.8554%0.541SS*.PPolyproline II helixtrans-59.1125.7178.2-170.9176.8-179.600110.7Y80E78-Y80 PolarHBondContact O-N 2.86Å
79P82.5Confident78.5Confident43 Ų43100.9 Ų100.928%0.27955%0.55SS.*PPolyproline II helixtrans-72.4124.7-172.927.2-34.7000111.9D23 A25 I81D23-P79 WeakPolarHBondContact O-CD 3.5Å; A25-P79 HydrophobicContact CB-CB 4.24Å; A25-P79 HydrophobicContact CB-CG 4.2Å; P79-I81 PolarHBondContact O-N 2.72Å
80Y83.5Confident77Confident205 Ų205100.5 Ų100.580%0.80455%0.545SS*.  trans-73.2113.1174-178.3-97.7000111.8E78 D82E78-Y80 PolarHBondContact O-N 2.86Å; Y80-D82 HydrophobicContact CD1-CB 4.4Å; Y80-D82 HydrophobicContact CE1-CB 4.03Å; Y80-D82 PolarHBondContact O-N 2.93Å
81I83.4Confident75.8Confident77 Ų77101.8 Ų101.840%0.39554%0.542SS..  trans-90.191.6-175.4-55.5-176.5000111F47 P79 V83 I86F47-I81 HydrophobicContact CE2-CD1 4.46Å; F47-I81 HydrophobicContact CE2-CG1 4.36Å; F47-I81 HydrophobicContact CE2-CG2 4.1Å; F47-I81 HydrophobicContact CZ-CG1 4.23Å; F47-I81 HydrophobicContact CZ-CG2 4.48Å; P79-I81 PolarHBondContact O-N 2.72Å; I81-V83 HydrophobicContact CG2-CG2 4.4Å; I81-V83 PolarHBondContact O-N 3.37Å; I81-V83 VanDerWaalsContact O-N 3.14Å; I81-I86 HydrophobicContact CG2-CD1 3.49Å; I81-I86 VanDerWaalsContact CG2-CD1 3.49Å
82D81.6Confident74.9Confident39 Ų39100.7 Ų100.721%0.20955%0.549CS..  trans-78.693.4169.8-171.9-17.5000111.5Y80 Q84 K85 I86Y80-D82 HydrophobicContact CD1-CB 4.4Å; Y80-D82 HydrophobicContact CE1-CB 4.03Å; Y80-D82 PolarHBondContact O-N 2.93Å; D82-Q84 PolarHBondContact O-N 3.01Å; D82-Q84 VanDerWaalsContact O-N 3.11Å; D82-Q84 PolarHBondContact OD1-N 3.13Å; D82-Q84 VanDerWaalsContact OD1-N 3.08Å; D82-K85 HydrophobicContact CB-CB 4.41Å; D82-K85 HydrophobicContact CB-CD 4.07Å; D82-K85 HydrophobicContact CB-CG 4.31Å; D82-K85 PolarHBondContact O-N 3.14Å; D82-K85 VanDerWaalsContact O-N 3.13Å; D82-K85 VanDerWaalsContact OD2-CD 3.28Å; D82-K85 WeakPolarHBondContact OD2-CD 3.28Å; D82-K85 WeakPolarHBondContact OD2-CE 3.5Å; D82-K85 WeakPolarHBondContact OD2-CG 3.13Å; D82-K85 IonicContact OD2-NZ 2.7Å; D82-K85 PolarHBondContact OD2-NZ 2.88Å; D82-I86 WeakPolarHBondContact O-CD1 3.39Å; D82-I86 WeakPolarHBondContact O-CG1 3.47Å; D82-I86 PolarHBondContact O-N 3.11Å
83V77.5Confident74.5Confident73 Ų73104.5 Ų104.544%0.44257%0.566SS.*Hα-helixtrans-55.3-29.5-178.2-173.90000113.1I81I81-V83 HydrophobicContact CG2-CG2 4.4Å; I81-V83 PolarHBondContact O-N 3.37Å; I81-V83 VanDerWaalsContact O-N 3.14Å
84Q75.1Confident74Confident147 Ų147105.2 Ų105.269%0.68757%0.572SS**Hα-helixtrans-71.9-37.6-179.1-60.9-169.42.300111.9D82D82-Q84 PolarHBondContact O-N 3.01Å; D82-Q84 VanDerWaalsContact O-N 3.11Å; D82-Q84 PolarHBondContact OD1-N 3.13Å; D82-Q84 VanDerWaalsContact OD1-N 3.08Å
85K74.7Confident73.6Confident148 Ų148111 Ų11164%0.64358%0.576SS**Hα-helixtrans-71.8-34.5179.1-68176.8-177.2128.50112.3D82 S87 A88D82-K85 HydrophobicContact CB-CB 4.41Å; D82-K85 HydrophobicContact CB-CD 4.07Å; D82-K85 HydrophobicContact CB-CG 4.31Å; D82-K85 PolarHBondContact O-N 3.14Å; D82-K85 VanDerWaalsContact O-N 3.13Å; D82-K85 VanDerWaalsContact OD2-CD 3.28Å; D82-K85 WeakPolarHBondContact OD2-CD 3.28Å; D82-K85 WeakPolarHBondContact OD2-CE 3.5Å; D82-K85 WeakPolarHBondContact OD2-CG 3.13Å; D82-K85 IonicContact OD2-NZ 2.7Å; D82-K85 PolarHBondContact OD2-NZ 2.88Å; K85-S87 PolarHBondContact O-N 2.68Å; K85-A88 PolarHBondContact O-N 3.08Å
86I71.3Confident73Confident16 Ų16111.8 Ų111.88%0.08258%0.579CS.*Hα-helixtrans-68.4-37.5-172.8-61.2159.2000111.9I7 F47 T48 I81 D82 A88 L89 T90I7-I86 HydrophobicContact CG2-CD1 4.2Å; I7-I86 HydrophobicContact CG2-CG2 3.64Å; F47-I86 HydrophobicContact CE2-CD1 3.65Å; F47-I86 HydrophobicContact CE2-CG1 4.42Å; F47-I86 HydrophobicContact CZ-CD1 4.13Å; T48-I86 HydrophobicContact CG2-CB 4.35Å; T48-I86 HydrophobicContact CG2-CD1 4.5Å; T48-I86 HydrophobicContact CG2-CG1 3.88Å; T48-I86 HydrophobicContact CG2-CG2 3.7Å; I81-I86 HydrophobicContact CG2-CD1 3.49Å; I81-I86 VanDerWaalsContact CG2-CD1 3.49Å; D82-I86 WeakPolarHBondContact O-CD1 3.39Å; D82-I86 WeakPolarHBondContact O-CG1 3.47Å; D82-I86 PolarHBondContact O-N 3.11Å; I86-A88 PolarHBondContact O-N 2.95Å; I86-L89 PolarHBondContact O-N 3.07Å; I86-T90 PolarHBondContact O-N 2.75Å
87S66Low72.5Confident93 Ų93116.2 Ų116.265%0.6560%0.601SS**THydrogen-bonded Turntrans-62.6-14.3177.7-170.10000114.3K85K85-S87 PolarHBondContact O-N 2.68Å
88A63.1Low72.5Confident94 Ų94114.1 Ų114.178%0.77760%0.597SS**THydrogen-bonded Turntrans-90.8-16174.200000113.2K85 I86K85-A88 PolarHBondContact O-N 3.08Å; I86-A88 PolarHBondContact O-N 2.95Å
89L64.2Low72.8Confident91 Ų91113.6 Ų113.648%0.47659%0.589SS.*THydrogen-bonded Turntrans-102.2-13.4-174.6-172.857.8000113.5I86 Q91I86-L89 PolarHBondContact O-N 3.07Å; L89-Q91 PolarHBondContact O-N 3.26Å
90T59.3Low72.9Confident64 Ų64113.9 Ų113.939%0.39359%0.59SS.*SBendtrans-58.2111.317749.30000110.2I86 S92I86-T90 PolarHBondContact O-N 2.75Å; T90-S92 PolarHBondContact O-N 3.47Å
91Q60.5Low73.1Confident130 Ų130106.8 Ų106.861%0.60757%0.569SS**  trans-56.5127.9177.1-68.3-178.8-2500109.2L89 L93L89-Q91 PolarHBondContact O-N 3.26Å; Q91-L93 PolarHBondContact O-N 3.37Å
92S62.4Low73.3Confident114 Ų114107 Ų10780%0.79758%0.575SS**  trans-62.8113.4175.956.50000108.9T90T90-S92 PolarHBondContact O-N 3.47Å
93L65.8Low73.3Confident94 Ų94113.7 Ų113.749%0.49261%0.605SS.*  trans-49.5135172.8-71.9164000109.3Q91 K95Q91-L93 PolarHBondContact O-N 3.37Å; L93-K95 PolarHBondContact O-N 3.28Å; L93-K95 VanDerWaalsContact O-N 3.1Å
94P64Low73.4Confident113 Ų113114 Ų11473%0.73460%0.604SS**  trans-58122.2176.324.2-32.7000108.3R96P94-R96 PolarHBondContact O-N 3.05Å
95K70.2Confident73.6Confident199 Ų199113.7 Ų113.787%0.86560%0.596SS**  trans-60.6109177.7-73.1178.1179.6173.90107.6L93 E97L93-K95 PolarHBondContact O-N 3.28Å; L93-K95 VanDerWaalsContact O-N 3.1Å; K95-E97 PolarHBondContact O-N 3.1Å
96R73.7Confident73.4Confident197 Ų197110 Ų11074%0.74359%0.593SS**  trans-57.7114.3175-65.3-175.4-178.1-173-0.3107.7E11 P94E11-R96 IonicContact OE1-NH2 2.8Å; E11-R96 PolarHBondContact OE1-NH2 2.95Å; E11-R96 IonicContact OE2-NH2 3.72Å; E11-R96 PolarHBondContact OE2-NH2 3.05Å; P94-R96 PolarHBondContact O-N 3.05Å
97E76.5Confident73.1Confident187 Ų187117.7 Ų117.787%0.87462%0.622SS**PPolyproline II helixtrans-62.3138.2177.6-64.9-170.8162.700109.6K95 Y99K95-E97 PolarHBondContact O-N 3.1Å; E97-Y99 PolarHBondContact O-N 3.31Å
98A83.8Confident73Confident90 Ų90118 Ų11874%0.74462%0.616SS**PPolyproline II helixtrans-62.9128.3177.800000109.6V100A98-V100 PolarHBondContact O-N 3.12Å; A98-V100 VanDerWaalsContact O-N 3.12Å
99Y89.6Confident73Confident171 Ų171117.8 Ų117.867%0.67161%0.614SS**PPolyproline II helixtrans-56118.9-178.2173.4-94000111.3E97 P101E97-Y99 PolarHBondContact O-N 3.31Å; Y99-P101 HydrophobicContact CD1-CG 4.23Å; Y99-P101 HydrophobicContact CE1-CB 4.15Å; Y99-P101 HydrophobicContact CE1-CG 3.94Å; Y99-P101 WeakPolarHBondContact O-CD 3.2Å
100V85.8Confident72.8Confident50 Ų50120.4 Ų120.430%0.30363%0.628SS.*  trans-94.6115.8172.2-175.80000109.1A98 L104 R105A98-V100 PolarHBondContact O-N 3.12Å; A98-V100 VanDerWaalsContact O-N 3.12Å; V100-L104 HydrophobicContact CG1-CB 3.61Å; V100-R105 HydrophobicContact CB-CG 4.33Å; V100-R105 HydrophobicContact CG1-CG 3.94Å; V100-R105 PolarHBondContact O-NE 3.16Å; V100-R105 PolarHBondContact O-NH2 3.31Å; V100-R105 VanDerWaalsContact O-NH2 3.16Å
101P86.4Confident72.1Confident55 Ų55119.9 Ų119.936%0.35764%0.635SS.*  trans-58150.8176.1-2533.9000112.6Y99 H103 L104Y99-P101 HydrophobicContact CD1-CG 4.23Å; Y99-P101 HydrophobicContact CE1-CB 4.15Å; Y99-P101 HydrophobicContact CE1-CG 3.94Å; Y99-P101 WeakPolarHBondContact O-CD 3.2Å; P101-H103 VanDerWaalsContact C-N 3.32Å; P101-H103 PolarHBondContact O-N 2.88Å; P101-H103 VanDerWaalsContact O-N 3.15Å; P101-L104 PolarHBondContact O-N 3.12Å
102P87.6Confident71.5Confident82 Ų82123.7 Ų123.753%0.53265%0.65SS.*Hα-helixtrans-50.1-46.4-172.4-29.735.8000114.3L104 R105P102-L104 PolarHBondContact O-N 2.95Å; P102-L104 VanDerWaalsContact O-N 3.14Å; P102-R105 WeakPolarHBondContact O-CB 3.5Å; P102-R105 PolarHBondContact O-N 3.15Å; P102-R105 VanDerWaalsContact O-N 3.12Å
103H82.6Confident70.5Confident180 Ų180123 Ų12383%0.83365%0.645SS**Hα-helixtrans-63.4-18.8-179.1-56.2-67.8000114.9P101P101-H103 VanDerWaalsContact C-N 3.32Å; P101-H103 PolarHBondContact O-N 2.88Å; P101-H103 VanDerWaalsContact O-N 3.15Å
104L78.4Confident69.4Low80 Ų80122.9 Ų122.942%0.41965%0.652SS.*Hα-helixtrans-93.6-16.6177.2-79168.9000113.4V100 P101 P102 R107 N108V100-L104 HydrophobicContact CG1-CB 3.61Å; P101-L104 PolarHBondContact O-N 3.12Å; P102-L104 PolarHBondContact O-N 2.95Å; P102-L104 VanDerWaalsContact O-N 3.14Å; L104-R107 PolarHBondContact O-N 3.41Å; L104-N108 PolarHBondContact O-N 3.35Å
105R79.3Confident68.3Low139 Ų139124.3 Ų124.353%0.52566%0.661SS.*Hα-helixtrans-64-46.5-177.2-63.4-176.2179.8-145.1-3.9111.9V100 P102 R107 N108 A109V100-R105 HydrophobicContact CB-CG 4.33Å; V100-R105 HydrophobicContact CG1-CG 3.94Å; V100-R105 PolarHBondContact O-NE 3.16Å; V100-R105 PolarHBondContact O-NH2 3.31Å; V100-R105 VanDerWaalsContact O-NH2 3.16Å; P102-R105 WeakPolarHBondContact O-CB 3.5Å; P102-R105 PolarHBondContact O-N 3.15Å; P102-R105 VanDerWaalsContact O-N 3.12Å; R105-R107 VanDerWaalsContact C-N 3.3Å; R105-R107 PolarHBondContact O-N 3Å; R105-N108 PolarHBondContact O-N 3.14Å; R105-A109 PolarHBondContact O-N 3.45Å
106A70.1Confident66.9Low71 Ų71120 Ų12059%0.58766%0.656SS**Hα-helixtrans-60.3-37.4177.800000112.9N108 A109 L110A106-N108 VanDerWaalsContact C-N 3.33Å; A106-N108 PolarHBondContact O-N 3.32Å; A106-A109 PolarHBondContact O-N 3.23Å; A106-L110 PolarHBondContact O-N 3.28Å
107R66.3Low65.4Low178 Ų178119.3 Ų119.367%0.67266%0.662SS**Hα-helixtrans-68.2-32.2179.8-157.7-176.784.1129.52.4112.9L104 R105L104-R107 PolarHBondContact O-N 3.41Å; R105-R107 VanDerWaalsContact C-N 3.3Å; R105-R107 PolarHBondContact O-N 3Å
108N63.5Low63.8Low99 Ų99116.5 Ų116.553%0.52966%0.659SS.*Hα-helixtrans-83.7-30.8177.6-68.51.9000111.9L104 R105 A106 L110 G111L104-N108 PolarHBondContact O-N 3.35Å; R105-N108 PolarHBondContact O-N 3.14Å; A106-N108 VanDerWaalsContact C-N 3.33Å; A106-N108 PolarHBondContact O-N 3.32Å; N108-L110 VanDerWaalsContact C-N 3.35Å; N108-G111 PolarHBondContact O-N 3.34Å
109A63Low61.9Low90 Ų90117.5 Ų117.574%0.74466%0.661SS**Hα-helixtrans-66.3-33.5175.500000113.2R105 A106 G111R105-A109 PolarHBondContact O-N 3.45Å; A106-A109 PolarHBondContact O-N 3.23Å; A109-G111 VanDerWaalsContact C-N 3.27Å; A109-G111 PolarHBondContact O-N 3.23Å
110L59.5Low59.6Low145 Ų145117.2 Ų117.276%0.75967%0.671SS**THydrogen-bonded Turntrans-83.92.6179-160.860000113.5A106 N108 K112A106-L110 PolarHBondContact O-N 3.28Å; N108-L110 VanDerWaalsContact C-N 3.35Å; L110-K112 PolarHBondContact O-N 3.41Å
111G45.7Very low57.5Low54 Ų54120 Ų12056%0.55769%0.692SS**THydrogen-bonded Turntrans-100.249.9-165.400000116.1N108 A109N108-G111 PolarHBondContact O-N 3.34Å; A109-G111 VanDerWaalsContact C-N 3.27Å; A109-G111 PolarHBondContact O-N 3.23Å
112K47.9Very low55.2Low209 Ų209124.4 Ų124.491%0.90972%0.718SS**THydrogen-bonded Turntrans-16319.6167.7-116.9170.1-168.8-177.20117.5L110L110-K112 PolarHBondContact O-N 3.41Å
113S41.7Very low53.2Low99 Ų99126.1 Ų126.169%0.69273%0.732SS**  trans-88.3125164.252.10000110.1
114S41Very low51.3Low93 Ų93122.1 Ų122.165%0.6572%0.724SS**  trans-55.1150.516944.30000111.6S116S114-S116 PolarHBondContact O-N 3.25Å
115P42.3Very low49.6Very low142 Ų142125.9 Ų125.992%0.92275%0.745SS**  trans-70.9102.6176.627.8-30.6000110.3
116S39.1Very low48.2Very low108 Ų108127.3 Ų127.376%0.75576%0.761SS**  trans-113.1150.9160.854.70000109.3S114S114-S116 PolarHBondContact O-N 3.25Å
117E42.8Very low46.7Very low184 Ų184131.1 Ų131.186%0.8677%0.772SS**  trans-63.3156.4-154.7-65.1175.5124.800116.8S119E117-S119 PolarHBondContact O-N 3.25Å
118P43.9Very low45.4Very low127 Ų127127.4 Ų127.483%0.82578%0.779SS**  trans-81.1105.8-177.932.5-33.8000112.3N120P118-N120 PolarHBondContact O-N 3.43Å
119S44.3Very low44.6Very low112 Ų112126.9 Ų126.978%0.78379%0.789SS**  trans-79.9112.8165.659.60000110.9E117 S121E117-S119 PolarHBondContact O-N 3.25Å; S119-S121 PolarHBondContact O-N 3.35Å
120N39.6Very low43.8Very low165 Ų165127.8 Ų127.888%0.88279%0.79SS**  trans-52.5128.7177.8-76.9-36.4000113.3P118P118-N120 PolarHBondContact O-N 3.43Å
121S41.9Very low43.3Very low107 Ų107129.3 Ų129.375%0.74879%0.79SS**  trans-154.3107.6151.442.90000112.4S119S119-S121 PolarHBondContact O-N 3.35Å
122V38.9Very low43.4Very low148 Ų148135.5 Ų135.590%0.89780%0.802SS**  trans36.1105.6149.6-164.60000118.1
123S45.1Very low43.5Very low118 Ų118133.2 Ų133.283%0.82579%0.794SS**  trans-130.5118.615859.60000109.9
124S42Very low43.8Very low96 Ų96134.8 Ų134.867%0.67179%0.794SS**  trans-73.5128.8179.252.10000113
125D43.2Very low44.5Very low160 Ų160134.4 Ų134.486%0.85679%0.792SS**  trans36.584.7139.9-48.5-39.7000119.2
126I51.2Low44.9Very low168 Ų168137.1 Ų137.186%0.86278%0.784SS**  trans-142.9138.3147.8-46.7178.2000109.6
127D36.7Very low45.6Very low152 Ų152138 Ų13881%0.81378%0.78SS**  trans-59.5133.8-159.6-65.1-76.8000118.8A129D127-A129 VanDerWaalsContact C-N 3.32Å; D127-A129 PolarHBondContact O-N 3.25Å
128A39.7Very low46.3Very low99 Ų99138.4 Ų138.482%0.81877%0.773SS**THydrogen-bonded Turntrans-84.514.8-178.100000115.7
129A46.3Very low46.9Very low89 Ų89140.8 Ų140.874%0.73677%0.771SS**THydrogen-bonded Turntrans-79.5-27.6-168.100000115.5D127D127-A129 VanDerWaalsContact C-N 3.32Å; D127-A129 PolarHBondContact O-N 3.25Å
130S46.5Very low47.4Very low109 Ų109144 Ų14476%0.76277%0.771SS**SBendtrans-103.4-5.5-162-60.60000116.8
131F49.4Very low48.1Very low177 Ų177144.6 Ų144.678%0.77677%0.766SS**G310 helixtrans-84.8-13.7-169.3-160-107.2000115.5Q133F131-Q133 VanDerWaalsContact C-N 3.32Å; F131-Q133 PolarHBondContact O-N 2.98Å
132K47.9Very low48.6Very low183 Ų183145.5 Ų145.580%0.79676%0.758SS**G310 helixtrans-77.9-4.1-170.1-73-177.8179.1173.50115.9
133Q48.9Very low49.3Very low161 Ų161141.6 Ų141.675%0.75274%0.741SS**G310 helixtrans-99.8-17.8-171.8-158.8158.4-26.400115.1F131F131-Q133 VanDerWaalsContact C-N 3.32Å; F131-Q133 PolarHBondContact O-N 2.98Å
134L49.4Very low49.8Very low132 Ų132144.4 Ų144.469%0.69174%0.739SS**SBendtrans-90.3-9.8-173-64176.7000115R136L134-R136 PolarHBondContact O-N 3.45Å
135S54.3Low50.3Low85 Ų85148.2 Ų148.259%0.59474%0.743SS**G310 helixtrans-75.8-18.4-177.754.20000114.6
136R52.5Low50.8Low200 Ų200148 Ų14876%0.75574%0.739SS**G310 helixtrans-77.5-21-175.6-68.4179.3176.4157.6-0.8114.3L134L134-R136 PolarHBondContact O-N 3.45Å
137N52.8Low50.8Low126 Ų126144.6 Ų144.667%0.67473%0.73SS**G310 helixtrans-86.1-9.9-174.8-70-16.1000114.8
138R58.1Low51.3Low192 Ų192146.6 Ų146.673%0.72573%0.731SS**THydrogen-bonded Turntrans-77.3-50.1176.9-103.1179.3171.8158.1-0.3113K140 K141R138-K140 PolarHBondContact O-N 2.72Å; R138-K141 PolarHBondContact O-N 3.01Å
139K56.4Low51.4Low177 Ų177150.6 Ų150.677%0.7773%0.733SS**Hα-helixtrans-57.6-24.3-176.8-87.8-175.6169.5-177.60114.6
140K54.2Low50.7Low179 Ų179150 Ų15078%0.77874%0.736SS**Hα-helixtrans-81.2-10.9-179.9-155.6169.1-174.81750114.4R138R138-K140 PolarHBondContact O-N 2.72Å
141K54.6Low50Low179 Ų179151.8 Ų151.878%0.77874%0.736SS**Hα-helixtrans-96.1-25.6177-88.8-174.3172.4-178.80114.2R138R138-K141 PolarHBondContact O-N 3.01Å
142E53.3Low49.4Very low126 Ų126151.5 Ų151.559%0.58974%0.738SS**Hα-helixtrans-75.8-37.3178.9-72.6159.8161.800111.8K144 K145E142-K144 PolarHBondContact O-N 3.3Å; E142-K144 VanDerWaalsContact O-N 3.11Å; E142-K145 PolarHBondContact O-N 3.47Å
143A52.7Low49Very low66 Ų66149.4 Ų149.455%0.54574%0.74SS.*THydrogen-bonded Turntrans-61.6-19.2177.300000115
144K56.2Low48.3Very low177 Ų177146.9 Ų146.977%0.7774%0.736SS**THydrogen-bonded Turntrans-91-4.5176.2-87.9-166.8172.1-169.60114.5E142E142-K144 PolarHBondContact O-N 3.3Å; E142-K144 VanDerWaalsContact O-N 3.11Å
145K52.5Low47.8Very low175 Ų175150 Ų15076%0.76175%0.747SS**THydrogen-bonded Turntrans-97.6-25.5-179.3-149.1-176.6179.7-163.30113.1E142E142-K145 PolarHBondContact O-N 3.47Å
146M52.2Low47Very low156 Ų156153.2 Ų153.277%0.76875%0.752SS**SBendtrans-84.1-9.1178.9-60.6-174.2-68.500113.8K148M146-K148 PolarHBondContact O-N 3.42Å
147S53.1Low46.4Very low96 Ų96150.3 Ų150.367%0.67175%0.751SS**THydrogen-bonded Turntrans-93.520.6-176.270.70000114.3
148K45.7Very low46.1Very low195 Ų195148.6 Ų148.685%0.84875%0.747SS**THydrogen-bonded Turntrans-135.215.6-174.1-147.8-178.2179.8-178.50114.3M146M146-K148 PolarHBondContact O-N 3.42Å
149E42.2Very low45.2Very low182 Ų182148 Ų14885%0.8575%0.752SS**SBendtrans-131.28.3-171.8-137.6159.9-151.900113.1
150G31.7Very low44.3Very low77 Ų77146.1 Ų146.179%0.79475%0.751SS**  trans-119.397.6177.400000112.4
151N32.7Very low43.6Very low146 Ų146143 Ų14378%0.78175%0.746SS**  trans-159.3140155.8-166.450.3000110.8
152E36.7Very low42.7Very low171 Ų171139.9 Ų139.980%0.79975%0.747SS**SBendtrans84.878.5-175.5-58.8-169.3114.100115.1
153V39.5Very low41.8Very low139 Ų139138.2 Ų138.284%0.84276%0.755SS**  102.9125.971.21610000110.7
154T33.2Very low41.1Very low109 Ų109144.1 Ų144.167%0.66977%0.774SS**  trans-114.9152.1-171-49.90000110.3E156T154-E156 HydrophobicContact CG2-CG 3.88Å
155E39Very low40.3Very low197 Ų197144.4 Ų144.492%0.92178%0.777SS**  trans-148.4159.8154.3-120.5177.2-17200111.4
156E38.4Very low39.7Very low153 Ų153141.8 Ų141.872%0.71578%0.779SS**  trans-145.3166.5-143-75.8-168.7152.600114.6T154T154-E156 HydrophobicContact CG2-CG 3.88Å
157L40.2Very low38.9Very low138 Ų138137.8 Ų137.872%0.72378%0.777SS**  cis-138.3-81.21.1-127162.7000116
158P46Very low38.4Very low90 Ų90139.3 Ų139.358%0.58479%0.785SS**  trans-142.3-170.9-137.846-26.9000120.3
159E39.2Very low37.5Very low181 Ų181136.2 Ų136.285%0.84679%0.786SS**  trans78.7139.4157.4-76.2161.5-136.200118.2
160D36.1Very low37Very low137 Ų137131 Ų13173%0.73378%0.781SS**  cis-161.6177.3-7.6-167.512.6000111
161V39.8Very low37.2Very low113 Ų113133.5 Ų133.569%0.68578%0.781SS**  trans73.2125.1156.5-61.40000125.2
162S37.1Very low37.4Very low113 Ų113135.2 Ų135.279%0.7979%0.785SS**  trans74.294.4134.3-70.80000123.7
163A33.9Very low37.9Very low92 Ų92136.3 Ų136.376%0.7678%0.782SS**  trans-5.7136.4132.700000120.7
164M36.7Very low38.3Very low190 Ų190133.9 Ų133.994%0.93677%0.767SS**  -167.8152.5114.1-102.4159.867.200112.3
165Q41Very low39.3Very low182 Ų182134.4 Ų134.485%0.8576%0.762SS**  trans-99.8-160.7175.5-41.2174.6-36.100109.5
166P38.4Very low39.7Very low121 Ų121135.1 Ų135.179%0.78676%0.756SS**  cis-132.4-174.6-27.731.8-11.5000112.9
167G35.5Very low40.4Very low72 Ų72131.8 Ų131.874%0.74274%0.74SS**  trans119.6160.2140.100000119
168P43.1Very low41.1Very low127 Ų127133.1 Ų133.183%0.82574%0.741SS**  trans-132.6-179.6-146.341.9-24.9000117.3
169C26.6Very low41.6Very low131 Ų131136.7 Ų136.789%0.88574%0.742SS**  trans82.6145.4161.9-150.90000117.2
170G33.3Very low42Very low72 Ų72134.8 Ų134.874%0.74274%0.735SS**  trans157.759.2-174.300000113.8E172G170-E172 PolarHBondContact O-N 3.19Å
171T34.6Very low42.6Very low130 Ų130134.3 Ų134.380%0.79873%0.732SS**  trans-70108.2172.842.40000111.6
172E36.8Very low42.8Very low181 Ų181131.7 Ų131.785%0.84672%0.722SS**  trans-151.992.3152.7-82.9-127.8156.400110.5G170 T174G170-E172 PolarHBondContact O-N 3.19Å; E172-T174 PolarHBondContact O-N 3.12Å
173R47Very low43.2Very low195 Ų195132.9 Ų132.974%0.73672%0.718SS**  trans-85.492.6179.6-160.2175.2-172.2-173.70.8110.2E177R173-E177 WeakPolarHBondContact CD-OE2 3.47Å; R173-E177 WeakPolarHBondContact CG-OE2 3.49Å; R173-E177 IonicContact CZ-OE1 3.41Å; R173-E177 IonicContact CZ-OE2 3.36Å; R173-E177 VanDerWaalsContact NE-CD 3.32Å; R173-E177 IonicContact NE-OE1 3.58Å; R173-E177 PolarHBondContact NE-OE1 3.28Å; R173-E177 IonicContact NE-OE2 2.72Å; R173-E177 PolarHBondContact NE-OE2 2.85Å; R173-E177 IonicContact NH2-OE1 3.58Å; R173-E177 PolarHBondContact NH2-OE1 3.32Å; R173-E177 IonicContact NH2-OE2 3.25Å
174T49.2Very low43.7Very low87 Ų87134.2 Ų134.253%0.53472%0.717SS.*  trans-51.3145.6-172.156.90000114.2E172 R176 E177E172-T174 PolarHBondContact O-N 3.12Å; T174-R176 PolarHBondContact O-N 3Å; T174-E177 PolarHBondContact O-N 3.38Å
175E54Low43.8Very low121 Ų121135.7 Ų135.757%0.56571%0.712SS**Hα-helixtrans-53.9-21.3-177.7-157.9-174.814800113.9E177 K178 R179E175-E177 PolarHBondContact O-N 3.27Å; E175-K178 PolarHBondContact O-N 3.36Å; E175-R179 PolarHBondContact O-N 2.8Å; E175-R179 IonicContact OE1-CZ 2.88Å; E175-R179 IonicContact OE1-NE 2.75Å; E175-R179 PolarHBondContact OE1-NE 3.31Å; E175-R179 IonicContact OE1-NH2 2.68Å; E175-R179 PolarHBondContact OE1-NH2 3.1Å
176R46.3Very low43.8Very low211 Ų211133 Ų13380%0.79671%0.708SS**Hα-helixtrans-58.3-40.7175.4-158.2170.4-172.4155.50.6112.7T174 M180T174-R176 PolarHBondContact O-N 3Å; R176-M180 WeakPolarHBondContact O-CB 3.26Å; R176-M180 PolarHBondContact O-N 3.47Å
177E54.3Low43.6Very low83 Ų83131.5 Ų131.539%0.38870%0.7SS.*Hα-helixtrans-71.6-35.1175.9-79.6-168.59600112.6R173 T174 E175 M180 L181R173-E177 WeakPolarHBondContact CD-OE2 3.47Å; R173-E177 WeakPolarHBondContact CG-OE2 3.49Å; R173-E177 IonicContact CZ-OE1 3.41Å; R173-E177 IonicContact CZ-OE2 3.36Å; R173-E177 VanDerWaalsContact NE-CD 3.32Å; R173-E177 IonicContact NE-OE1 3.58Å; R173-E177 PolarHBondContact NE-OE1 3.28Å; R173-E177 IonicContact NE-OE2 2.72Å; R173-E177 PolarHBondContact NE-OE2 2.85Å; R173-E177 IonicContact NH2-OE1 3.58Å; R173-E177 PolarHBondContact NH2-OE1 3.32Å; R173-E177 IonicContact NH2-OE2 3.25Å; T174-E177 PolarHBondContact O-N 3.38Å; E175-E177 PolarHBondContact O-N 3.27Å; E177-M180 PolarHBondContact O-N 3.41Å; E177-L181 PolarHBondContact O-N 3Å; E177-L181 VanDerWaalsContact O-N 3.1Å
178K53.8Low43.9Very low167 Ų167134.6 Ų134.673%0.72670%0.7SS**Hα-helixtrans-65.5-41.4174.3-80.2-178.71771740111.6E175 L181 A182E175-K178 PolarHBondContact O-N 3.36Å; K178-L181 PolarHBondContact O-N 3.21Å; K178-A182 PolarHBondContact O-N 3.45Å
179R56Low44.1Very low165 Ų165140.1 Ų140.162%0.62370%0.704SS**Hα-helixtrans-67.4-37.8174.9-69.8-173.6-172.2-1723.4112.4E175 L181 A182E175-R179 PolarHBondContact O-N 2.8Å; E175-R179 IonicContact OE1-CZ 2.88Å; E175-R179 IonicContact OE1-NE 2.75Å; E175-R179 PolarHBondContact OE1-NE 3.31Å; E175-R179 IonicContact OE1-NH2 2.68Å; E175-R179 PolarHBondContact OE1-NH2 3.1Å; R179-L181 VanDerWaalsContact C-N 3.3Å; R179-L181 PolarHBondContact O-N 3.3Å; R179-A182 PolarHBondContact O-N 3.36Å
180M48.3Very low45.5Very low140 Ų140137 Ų13769%0.6968%0.683SS**Hα-helixtrans-69-26.8178.7-158.6169.176.700113.2R176 E177R176-M180 WeakPolarHBondContact O-CB 3.26Å; R176-M180 PolarHBondContact O-N 3.47Å; E177-M180 PolarHBondContact O-N 3.41Å
181L49.1Very low46.8Very low127 Ų127136.5 Ų136.567%0.66567%0.666SS**Hα-helixtrans-84.3-18.2174.3-157.769.3000113.6E177 K178 R179E177-L181 PolarHBondContact O-N 3Å; E177-L181 VanDerWaalsContact O-N 3.1Å; K178-L181 PolarHBondContact O-N 3.21Å; R179-L181 VanDerWaalsContact C-N 3.3Å; R179-L181 PolarHBondContact O-N 3.3Å
182A42.8Very low48.5Very low59 Ų59133 Ų13349%0.48865%0.65SS.*Hα-helixtrans-77.4-28.217900000113.3K178 R179 T184 R185K178-A182 PolarHBondContact O-N 3.45Å; R179-A182 PolarHBondContact O-N 3.36Å; A182-T184 PolarHBondContact O-N 2.69Å; A182-R185 PolarHBondContact O-N 3.41Å
183I46.6Very low50.5Low138 Ų138127.9 Ų127.971%0.70863%0.631SS**G310 helixtrans-68.2-19.6179.7-71.4172.4000112.4R185I183-R185 PolarHBondContact O-N 3.06Å
184T43.6Very low52.1Low119 Ų119119.6 Ų119.673%0.7360%0.601SS**G310 helixtrans-84.916.2177-370000113.7A182A182-T184 PolarHBondContact O-N 2.69Å
185R39.6Very low53.6Low221 Ų221119.3 Ų119.383%0.83460%0.601SS**G310 helixtrans-128.219-179.6-69-171.5177.9176.8-0.2114.9A182 I183A182-R185 PolarHBondContact O-N 3.41Å; I183-R185 PolarHBondContact O-N 3.06Å
186V41.5Very low55Low125 Ų125117.6 Ų117.676%0.75860%0.596SS**SBendtrans-88.4156.1165.9-1770000109.2
187S34.7Very low57Low90 Ų90108.4 Ų108.463%0.62956%0.561SS**SBendtrans-48.9163.8-172.6-155.50000115.2
188D40.8Very low58.5Low138 Ų138107.3 Ų107.374%0.73856%0.56SS**  trans72.687.6167.1-46.4-36.9000114.2P190D188-P190 WeakPolarHBondContact O-CD 3.44Å; D188-P190 VanDerWaalsContact O-N 3.16Å
189R46.7Very low60.2Low243 Ų243104.6 Ų104.692%0.91755%0.55SS**  trans-64.4109.8170.9-174.1-174-64.4-1581.1107.7
190P55.8Low61.9Low66 Ų66100.7 Ų100.743%0.42954%0.538SS..  trans-61.7153.6-178.126.3-34.7000110.1D188 A192 E194D188-P190 WeakPolarHBondContact O-CD 3.44Å; D188-P190 VanDerWaalsContact O-N 3.16Å; P190-A192 PolarHBondContact O-N 2.92Å; P190-E194 HydrophobicContact CB-CB 4.26Å; P190-E194 WeakPolarHBondContact CB-OE2 3.35Å
191P61.7Low64Low61 Ų6195.7 Ų95.740%0.39651%0.513SS..  trans-53.7138.3179.223-33.1000109.5V193 E194P191-V193 CarbonylContact O-C 3.58Å; P191-V193 PolarHBondContact O-N 2.72Å; P191-E194 HydrophobicContact CG-CG 4.17Å; P191-E194 PolarHBondContact O-N 3.33Å
192A70.8Confident66Low55 Ų5598 Ų9846%0.45551%0.514SS..Hα-helixtrans-52.1-22.4-172.500000114.2P190 L196P190-A192 PolarHBondContact O-N 2.92Å; A192-L196 PolarHBondContact O-N 3.18Å
193V77.3Confident68.2Low74 Ų74100.1 Ų100.145%0.44851%0.513SS..Hα-helixtrans-54.1-53.5169.5-179.10000112.7P191 C195 L196 F197 L238P191-V193 CarbonylContact O-C 3.58Å; P191-V193 PolarHBondContact O-N 2.72Å; V193-C195 PolarHBondContact O-N 3.28Å; V193-L196 WeakPolarHBondContact O-CB 3.5Å; V193-L196 PolarHBondContact O-N 3.44Å; V193-F197 HydrophobicContact CG1-CD2 3.94Å; V193-F197 HydrophobicContact CG1-CE2 3.47Å; V193-F197 VanDerWaalsContact CG1-CE2 3.47Å; V193-F197 WeakPolarHBondContact O-CD2 3.5Å; V193-F197 PolarHBondContact O-N 3.35Å; V193-F197 VanDerWaalsContact O-N 3.17Å; V193-L238 HydrophobicContact CG1-CD1 3.68Å; V193-L238 HydrophobicContact CG1-CD2 4.29Å
194E80.6Confident70.3Confident22 Ų2293.8 Ų93.810%0.10348%0.481CS..Hα-helixtrans-63.4-41.4-178.4-73.6179.1-15400112.4P190 P191 L196 F197 V198 L235 L238P190-E194 HydrophobicContact CB-CB 4.26Å; P190-E194 WeakPolarHBondContact CB-OE2 3.35Å; P191-E194 HydrophobicContact CG-CG 4.17Å; P191-E194 PolarHBondContact O-N 3.33Å; E194-L196 PolarHBondContact O-N 3.02Å; E194-F197 PolarHBondContact O-N 2.98Å; E194-F197 VanDerWaalsContact O-N 3.13Å; E194-V198 WeakPolarHBondContact O-CG2 3.1Å; E194-V198 PolarHBondContact O-N 3.39Å; E194-L235 HydrophobicContact CB-CD2 4.19Å; E194-L235 HydrophobicContact CG-CD2 4.18Å; E194-L238 HydrophobicContact CG-CB 3.99Å; E194-L238 HydrophobicContact CG-CD1 4.1Å
195C80.6Confident72.6Confident80 Ų8091.6 Ų91.654%0.54147%0.47SS..Hα-helixtrans-57.7-39.7176.5-171.90000111.5V193 V198 Q199V193-C195 PolarHBondContact O-N 3.28Å; C195-V198 PolarHBondContact O-N 2.95Å; C195-Q199 WeakPolarHBondContact O-CB 3.44Å; C195-Q199 PolarHBondContact O-N 3.39Å
196L84.2Confident75Confident86 Ų8684.3 Ų84.345%0.4545%0.45SS..Hα-helixtrans-68.6-36.8177.1-175.7134.1000112.6A192 V193 E194 Q199 K200A192-L196 PolarHBondContact O-N 3.18Å; V193-L196 WeakPolarHBondContact O-CB 3.5Å; V193-L196 PolarHBondContact O-N 3.44Å; E194-L196 PolarHBondContact O-N 3.02Å; L196-Q199 PolarHBondContact O-N 2.96Å; L196-K200 HydrophobicContact CD2-CD 4.26Å; L196-K200 WeakPolarHBondContact O-CG 3.35Å; L196-K200 PolarHBondContact O-N 2.84Å
197F87.6Confident77.3Confident17 Ų1779.7 Ų79.78%0.07542%0.421CS..Hα-helixtrans-65.6-46.7172.5-74.3-70.9000112.3V193 E194 Q199 K200 L201 L231 E234 L235 L238V193-F197 HydrophobicContact CG1-CD2 3.94Å; V193-F197 HydrophobicContact CG1-CE2 3.47Å; V193-F197 VanDerWaalsContact CG1-CE2 3.47Å; V193-F197 WeakPolarHBondContact O-CD2 3.5Å; V193-F197 PolarHBondContact O-N 3.35Å; V193-F197 VanDerWaalsContact O-N 3.17Å; E194-F197 PolarHBondContact O-N 2.98Å; E194-F197 VanDerWaalsContact O-N 3.13Å; F197-Q199 VanDerWaalsContact C-N 3.27Å; F197-Q199 PolarHBondContact O-N 3.17Å; F197-K200 PolarHBondContact O-N 3.18Å; F197-K200 VanDerWaalsContact O-N 3.13Å; F197-L201 PolarHBondContact O-N 3.34Å; F197-L231 HydrophobicContact CD1-CB 4.28Å; F197-L231 HydrophobicContact CD1-CD2 3.56Å; F197-L231 HydrophobicContact CD1-CG 4.5Å; F197-L231 HydrophobicContact CE1-CD2 3.62Å; F197-E234 HydrophobicContact CE1-CB 4.04Å; F197-E234 WeakPolarHBondContact CE1-OE2 3.3Å; F197-E234 HydrophobicContact CZ-CB 4.08Å; F197-E234 WeakPolarHBondContact CZ-OE2 3.48Å; F197-L235 HydrophobicContact CB-CD1 3.62Å; F197-L235 HydrophobicContact CB-CD2 3.88Å; F197-L235 HydrophobicContact CB-CG 3.5Å; F197-L235 VanDerWaalsContact CB-CG 3.5Å; F197-L235 HydrophobicContact CG-CG 4.14Å; F197-L238 HydrophobicContact CD2-CD1 3.68Å; F197-L238 HydrophobicContact CE2-CD1 3.6Å
198V87Confident79.9Confident60 Ų6078.8 Ų78.836%0.36441%0.406SS..Hα-helixtrans-59.6-38.9175.4173.50000111.1E194 C195 L201 R202 L235E194-V198 WeakPolarHBondContact O-CG2 3.1Å; E194-V198 PolarHBondContact O-N 3.39Å; C195-V198 PolarHBondContact O-N 2.95Å; V198-L201 PolarHBondContact O-N 3.46Å; V198-R202 WeakPolarHBondContact O-CG 3.42Å; V198-R202 PolarHBondContact O-N 2.94Å; V198-L235 HydrophobicContact CG2-CD1 4.2Å; V198-L235 HydrophobicContact CG2-CD2 4.34Å
199Q89.9Confident82.4Confident110 Ų11078.1 Ų78.151%0.51440%0.399SS..Hα-helixtrans-64.1-41.3175-171.9179.86.200112.5C195 L196 F197 R202 Q203C195-Q199 WeakPolarHBondContact O-CB 3.44Å; C195-Q199 PolarHBondContact O-N 3.39Å; L196-Q199 PolarHBondContact O-N 2.96Å; F197-Q199 VanDerWaalsContact C-N 3.27Å; F197-Q199 PolarHBondContact O-N 3.17Å; Q199-R202 PolarHBondContact O-N 3.13Å; Q199-Q203 WeakPolarHBondContact O-CG 3.45Å; Q199-Q203 PolarHBondContact O-N 3.28Å
200K90.8Very high84.4Confident84 Ų8471.3 Ų71.337%0.36538%0.376SS..Hα-helixtrans-63.7-44.1174.8-73.6173.9175.5175.80112L196 F197 R202 Q203 I204 L231L196-K200 HydrophobicContact CD2-CD 4.26Å; L196-K200 WeakPolarHBondContact O-CG 3.35Å; L196-K200 PolarHBondContact O-N 2.84Å; F197-K200 PolarHBondContact O-N 3.18Å; F197-K200 VanDerWaalsContact O-N 3.13Å; K200-R202 VanDerWaalsContact C-N 3.32Å; K200-R202 PolarHBondContact O-N 3.44Å; K200-Q203 WeakPolarHBondContact O-CB 3.39Å; K200-Q203 PolarHBondContact O-N 3.46Å; K200-Q203 VanDerWaalsContact O-N 3.12Å; K200-I204 WeakPolarHBondContact O-CG1 3.36Å; K200-I204 PolarHBondContact O-N 2.92Å; K200-L231 HydrophobicContact CB-CD1 3.84Å; K200-L231 HydrophobicContact CD-CD1 4.16Å; K200-L231 HydrophobicContact CD-CD2 3.71Å
201L92.1Very high86Confident34 Ų3471.2 Ų71.218%0.17837%0.371CS..Hα-helixtrans-61.7-38.8177.5-70.8177.4000112.2F197 V198 Q203 I204 S205 E228 L231 L232 L235F197-L201 PolarHBondContact O-N 3.34Å; V198-L201 PolarHBondContact O-N 3.46Å; L201-Q203 VanDerWaalsContact C-N 3.35Å; L201-Q203 PolarHBondContact O-N 3.26Å; L201-I204 PolarHBondContact O-N 2.93Å; L201-S205 PolarHBondContact O-N 3.1Å; L201-E228 HydrophobicContact CD2-CG 4.18Å; L201-L231 HydrophobicContact CD2-CB 4.01Å; L201-L231 HydrophobicContact CD2-CD1 4.39Å; L201-L231 HydrophobicContact CG-CB 4.46Å; L201-L232 HydrophobicContact CD1-CD2 3.67Å; L201-L232 HydrophobicContact CD1-CG 4.37Å; L201-L232 HydrophobicContact CD2-CD2 4.25Å; L201-L232 HydrophobicContact CD2-CG 4.15Å; L201-L235 HydrophobicContact CD1-CD1 3.5Å; L201-L235 VanDerWaalsContact CD1-CD1 3.5Å
202R90.9Very high87.3Confident177 Ų17775.9 Ų75.967%0.66839%0.387SS*.Hα-helixtrans-59.2-44172-71.8175.5-175.5176.72.3112.1V198 Q199 K200 I204 S205 T206V198-R202 WeakPolarHBondContact O-CG 3.42Å; V198-R202 PolarHBondContact O-N 2.94Å; Q199-R202 PolarHBondContact O-N 3.13Å; K200-R202 VanDerWaalsContact C-N 3.32Å; K200-R202 PolarHBondContact O-N 3.44Å; R202-I204 VanDerWaalsContact C-N 3.31Å; R202-I204 PolarHBondContact O-N 3.43Å; R202-S205 WeakPolarHBondContact O-CB 3.41Å; R202-S205 PolarHBondContact O-N 3.15Å; R202-T206 PolarHBondContact O-N 3.05Å; R202-T206 VanDerWaalsContact O-N 3.08Å; R202-T206 PolarHBondContact O-OG1 3.31Å
203Q90.6Very high88.2Confident103 Ų10377.3 Ų77.348%0.48140%0.399SS..Hα-helixtrans-63.4-36.7176.6-68.2177.80.600112.6Q199 K200 L201 L207Q199-Q203 WeakPolarHBondContact O-CG 3.45Å; Q199-Q203 PolarHBondContact O-N 3.28Å; K200-Q203 WeakPolarHBondContact O-CB 3.39Å; K200-Q203 PolarHBondContact O-N 3.46Å; K200-Q203 VanDerWaalsContact O-N 3.12Å; L201-Q203 VanDerWaalsContact C-N 3.35Å; L201-Q203 PolarHBondContact O-N 3.26Å; Q203-L207 WeakPolarHBondContact O-CG 3.12Å; Q203-L207 PolarHBondContact O-N 3.42Å; Q203-L207 VanDerWaalsContact O-N 3.13Å
204I90.5Very high88.6Confident5 Ų576.8 Ų76.83%0.02641%0.409CS..Hα-helixtrans-67.2-43175.7-69.7169000110.6K200 L201 R202 T206 L207 K208 K224 L225 E228 L231K200-I204 WeakPolarHBondContact O-CG1 3.36Å; K200-I204 PolarHBondContact O-N 2.92Å; L201-I204 PolarHBondContact O-N 2.93Å; R202-I204 VanDerWaalsContact C-N 3.31Å; R202-I204 PolarHBondContact O-N 3.43Å; I204-T206 PolarHBondContact O-N 2.96Å; I204-L207 WeakPolarHBondContact O-CB 3.44Å; I204-L207 PolarHBondContact O-N 3.4Å; I204-L207 VanDerWaalsContact O-N 3.07Å; I204-K208 PolarHBondContact O-N 3Å; I204-K224 WeakPolarHBondContact CD1-O 3.43Å; I204-L225 HydrophobicContact CG2-CD2 4.18Å; I204-E228 HydrophobicContact CD1-CB 4.24Å; I204-E228 HydrophobicContact CG2-CB 4.19Å; I204-E228 HydrophobicContact CG2-CG 4.13Å; I204-L231 HydrophobicContact CD1-CD1 3.54Å
205S90.3Very high88.8Confident73 Ų7381.2 Ų81.251%0.5143%0.43SS..Hα-helixtrans-57.5-48.6175.1-168.60000112.2L201 R202 L207 K208 E209L201-S205 PolarHBondContact O-N 3.1Å; R202-S205 WeakPolarHBondContact O-CB 3.41Å; R202-S205 PolarHBondContact O-N 3.15Å; S205-L207 PolarHBondContact O-N 3.13Å; S205-K208 WeakPolarHBondContact O-CB 3.43Å; S205-K208 PolarHBondContact O-N 3.12Å; S205-K208 VanDerWaalsContact O-N 3.1Å; S205-E209 PolarHBondContact O-N 3.2Å
206T90.7Very high88.9Confident67 Ų6786.8 Ų86.841%0.41145%0.445SS..Hα-helixtrans-65-24.5175.6-51.40000113.3R202 I204 K210R202-T206 PolarHBondContact O-N 3.05Å; R202-T206 VanDerWaalsContact O-N 3.08Å; R202-T206 PolarHBondContact O-OG1 3.31Å; I204-T206 PolarHBondContact O-N 2.96Å; T206-K210 WeakPolarHBondContact O-CD 3.44Å; T206-K210 VanDerWaalsContact O-CG 3.29Å; T206-K210 WeakPolarHBondContact O-CG 3.46Å; T206-K210 PolarHBondContact O-N 3.26Å
207L89.4Confident88.6Confident28 Ų2887.6 Ų87.615%0.14745%0.447CS..Hα-helixtrans-76.5-36.4172.3-74.9169.7000111.9Q203 I204 S205 K210 I211 Q221 K224Q203-L207 WeakPolarHBondContact O-CG 3.12Å; Q203-L207 PolarHBondContact O-N 3.42Å; Q203-L207 VanDerWaalsContact O-N 3.13Å; I204-L207 WeakPolarHBondContact O-CB 3.44Å; I204-L207 PolarHBondContact O-N 3.4Å; I204-L207 VanDerWaalsContact O-N 3.07Å; S205-L207 PolarHBondContact O-N 3.13Å; L207-K210 PolarHBondContact O-N 2.97Å; L207-I211 WeakPolarHBondContact O-CG1 3.41Å; L207-I211 PolarHBondContact O-N 3.43Å; L207-I211 VanDerWaalsContact O-N 3.17Å; L207-Q221 HydrophobicContact CD2-CG 4.18Å; L207-K224 HydrophobicContact CD1-CB 4.3Å; L207-K224 HydrophobicContact CD1-CD 3.91Å
208K90.8Very high88.3Confident71 Ų7192.7 Ų92.731%0.30947%0.471SS..Hα-helixtrans-62.6-50.1172.8-72.6-178.3169.6178.50111.6I204 S205 K210 I211 E212 L225 E228I204-K208 PolarHBondContact O-N 3Å; S205-K208 WeakPolarHBondContact O-CB 3.43Å; S205-K208 PolarHBondContact O-N 3.12Å; S205-K208 VanDerWaalsContact O-N 3.1Å; K208-K210 PolarHBondContact O-N 3.42Å; K208-I211 WeakPolarHBondContact O-CA 3.46Å; K208-I211 WeakPolarHBondContact O-CB 3Å; K208-I211 PolarHBondContact O-N 3.13Å; K208-E212 WeakPolarHBondContact O-CG 2.96Å; K208-E212 PolarHBondContact O-N 3.46Å; K208-L225 HydrophobicContact CG-CD2 3.63Å; K208-E228 WeakPolarHBondContact CE-OE1 3.49Å; K208-E228 WeakPolarHBondContact CE-OE2 3.33Å; K208-E228 IonicContact NZ-OE1 2.7Å; K208-E228 PolarHBondContact NZ-OE1 2.63Å; K208-E228 IonicContact NZ-OE2 2.63Å; K208-E228 PolarHBondContact NZ-OE2 3.26Å
209E91.4Very high88.1Confident125 Ų12594 Ų9458%0.58449%0.489SS*.Hα-helixtrans-54.9-37.9177-174.2-179.5-165.500112.2S205 E212 A213S205-E209 PolarHBondContact O-N 3.2Å; E209-E212 PolarHBondContact O-N 3.06Å; E209-A213 WeakPolarHBondContact O-CB 3.46Å; E209-A213 PolarHBondContact O-N 3.44Å
210K89.9Confident87.7Confident100 Ų10095.1 Ų95.144%0.43550%0.498SS..Hα-helixtrans-69.8-34.5175.1-76.9174.3176.8-171.10114T206 L207 K208 A213 G214 Q215T206-K210 WeakPolarHBondContact O-CD 3.44Å; T206-K210 VanDerWaalsContact O-CG 3.29Å; T206-K210 WeakPolarHBondContact O-CG 3.46Å; T206-K210 PolarHBondContact O-N 3.26Å; L207-K210 PolarHBondContact O-N 2.97Å; K208-K210 PolarHBondContact O-N 3.42Å; K210-A213 PolarHBondContact O-N 3.44Å; K210-G214 PolarHBondContact O-N 3.03Å; K210-Q215 HydrophobicContact CB-CB 4.41Å; K210-Q215 WeakPolarHBondContact O-CB 3.48Å; K210-Q215 PolarHBondContact O-N 3.4Å
211I88.5Confident87.5Confident64 Ų6492.9 Ų92.933%0.32849%0.489SS..Hα-helixtrans-71.3-40.7175.4-69.5164.9000109.9L207 K208 A213 G214 M217 L225L207-I211 WeakPolarHBondContact O-CG1 3.41Å; L207-I211 PolarHBondContact O-N 3.43Å; L207-I211 VanDerWaalsContact O-N 3.17Å; K208-I211 WeakPolarHBondContact O-CA 3.46Å; K208-I211 WeakPolarHBondContact O-CB 3Å; K208-I211 PolarHBondContact O-N 3.13Å; I211-A213 VanDerWaalsContact C-N 3.31Å; I211-A213 PolarHBondContact O-N 3.18Å; I211-G214 PolarHBondContact O-N 3.08Å; I211-M217 HydrophobicContact CD1-CB 4.44Å; I211-M217 HydrophobicContact CD1-CG 4.26Å; I211-M217 HydrophobicContact CD1-SD 4.06Å; I211-M217 HydrophobicContact CG1-CB 4.48Å; I211-L225 HydrophobicContact CD1-CD1 3.57Å
212E89.5Confident87.1Confident158 Ų15893 Ų9374%0.73850%0.495SS*.Hα-helixtrans-62.6-36.9172.6-70.3166.3-161.900111.8K208 E209 G214K208-E212 WeakPolarHBondContact O-CG 2.96Å; K208-E212 PolarHBondContact O-N 3.46Å; E209-E212 PolarHBondContact O-N 3.06Å; E212-G214 PolarHBondContact O-N 3.34Å; E212-G214 VanDerWaalsContact O-N 3.13Å
213A90.6Very high86.8Confident86 Ų8691.6 Ų91.671%0.71150%0.495SS*.THydrogen-bonded Turntrans-72.49.1170.600000114.6E209 K210 I211E209-A213 WeakPolarHBondContact O-CB 3.46Å; E209-A213 PolarHBondContact O-N 3.44Å; K210-A213 PolarHBondContact O-N 3.44Å; I211-A213 VanDerWaalsContact C-N 3.31Å; I211-A213 PolarHBondContact O-N 3.18Å
214G85.4Confident86.5Confident63 Ų6391.4 Ų91.465%0.64949%0.493SS*.THydrogen-bonded Turntrans81.710.2174.200000115.8K210 I211 E212 K216K210-G214 PolarHBondContact O-N 3.03Å; I211-G214 PolarHBondContact O-N 3.08Å; E212-G214 PolarHBondContact O-N 3.34Å; E212-G214 VanDerWaalsContact O-N 3.13Å; G214-K216 PolarHBondContact O-N 3.23Å
215Q84.9Confident86.3Confident115 Ų11592.9 Ų92.954%0.53750%0.501SS..PPolyproline II helixtrans-72.4125.5178.2-164.7170.223.700111.1K210 M217K210-Q215 HydrophobicContact CB-CB 4.41Å; K210-Q215 WeakPolarHBondContact O-CB 3.48Å; K210-Q215 PolarHBondContact O-N 3.4Å; Q215-M217 PolarHBondContact O-N 3.44Å
216K81.2Confident86.2Confident197 Ų19793.2 Ų93.286%0.85751%0.508SS*.PPolyproline II helixtrans-59.4120.4179.1-70.5-177.8178.9176.10111.3G214G214-K216 PolarHBondContact O-N 3.23Å
217M78.5Confident86.1Confident103 Ų10391.8 Ų91.851%0.50750%0.501SS..PPolyproline II helixtrans-68.5132.3-178.1-177.5177.46300112.2I211 Q215 Q221 A222 L225I211-M217 HydrophobicContact CD1-CB 4.44Å; I211-M217 HydrophobicContact CD1-CG 4.26Å; I211-M217 HydrophobicContact CD1-SD 4.06Å; I211-M217 HydrophobicContact CG1-CB 4.48Å; Q215-M217 PolarHBondContact O-N 3.44Å; M217-Q221 HydrophobicContact CG-CB 4.18Å; M217-A222 HydrophobicContact CE-CB 4.03Å; M217-A222 HydrophobicContact SD-CB 3.93Å; M217-L225 HydrophobicContact SD-CD1 3.83Å
218Q82.2Confident86.1Confident124 Ų12493 Ų9358%0.57951%0.506SS*.PPolyproline II helixtrans-88.1146.8170.3-64.3177-17.100110.7N220 Q221 A222Q218-N220 PolarHBondContact O-N 3.04Å; Q218-N220 VanDerWaalsContact O-N 3.1Å; Q218-Q221 HydrophobicContact CB-CG 4.18Å; Q218-Q221 WeakPolarHBondContact O-CA 3.41Å; Q218-Q221 VanDerWaalsContact O-CB 3.3Å; Q218-Q221 WeakPolarHBondContact O-CB 3.5Å; Q218-Q221 PolarHBondContact O-N 2.7Å; Q218-A222 PolarHBondContact O-N 3.3Å
219A82.3Confident86Confident88 Ų8893.1 Ų93.173%0.72752%0.52SS*.Hα-helixtrans-53.6-36.5-17900000113.9Q221 A222A219-Q221 PolarHBondContact O-N 2.7Å; A219-A222 PolarHBondContact O-N 2.91Å
220N82Confident85.9Confident132 Ų13289.6 Ų89.671%0.70651%0.512SS*.Hα-helixtrans-66.1-15.5176-67.7-40.3000114.4Q218Q218-N220 PolarHBondContact O-N 3.04Å; Q218-N220 VanDerWaalsContact O-N 3.1Å
221Q86.8Confident85.9Confident38 Ų3885.5 Ų85.518%0.17850%0.495CS..Hα-helixtrans-89.6-33.9176.3-59.6168-300111.2L207 M217 Q218 A219 H223 K224 L225L207-Q221 HydrophobicContact CD2-CG 4.18Å; M217-Q221 HydrophobicContact CG-CB 4.18Å; Q218-Q221 HydrophobicContact CB-CG 4.18Å; Q218-Q221 WeakPolarHBondContact O-CA 3.41Å; Q218-Q221 VanDerWaalsContact O-CB 3.3Å; Q218-Q221 WeakPolarHBondContact O-CB 3.5Å; Q218-Q221 PolarHBondContact O-N 2.7Å; A219-Q221 PolarHBondContact O-N 2.7Å; Q221-H223 VanDerWaalsContact C-N 3.32Å; Q221-H223 PolarHBondContact O-N 3.44Å; Q221-K224 WeakPolarHBondContact O-CA 3.31Å; Q221-K224 WeakPolarHBondContact O-CB 3.49Å; Q221-K224 PolarHBondContact O-N 3.22Å; Q221-L225 PolarHBondContact O-N 3.2Å; Q221-L225 VanDerWaalsContact O-N 3.13Å
222A83.7Confident85.9Confident37 Ų3786.2 Ų86.231%0.30650%0.499SS..Hα-helixtrans-57.2-42.8176.900000112.3M217 Q218 A219 K224 L225 A226M217-A222 HydrophobicContact CE-CB 4.03Å; M217-A222 HydrophobicContact SD-CB 3.93Å; Q218-A222 PolarHBondContact O-N 3.3Å; A219-A222 PolarHBondContact O-N 2.91Å; A222-K224 VanDerWaalsContact C-N 3.26Å; A222-K224 PolarHBondContact O-N 3.08Å; A222-L225 PolarHBondContact O-N 3.13Å; A222-A226 PolarHBondContact O-N 3.04Å
223H83.5Confident85.9Confident146 Ų14681.2 Ų81.268%0.67648%0.484SS*.Hα-helixtrans-62.1-31.2174.5-172.1-62.4000112.8Q221 S227Q221-H223 VanDerWaalsContact C-N 3.32Å; Q221-H223 PolarHBondContact O-N 3.44Å; H223-S227 PolarHBondContact O-N 3.06Å
224K84.5Confident85.8Confident100 Ų10081.6 Ų81.644%0.43547%0.472SS..Hα-helixtrans-71.5-41.3177-63.9-176.8180-1760111.4I204 L207 Q221 A222 S227I204-K224 WeakPolarHBondContact CD1-O 3.43Å; L207-K224 HydrophobicContact CD1-CB 4.3Å; L207-K224 HydrophobicContact CD1-CD 3.91Å; Q221-K224 WeakPolarHBondContact O-CA 3.31Å; Q221-K224 WeakPolarHBondContact O-CB 3.49Å; Q221-K224 PolarHBondContact O-N 3.22Å; A222-K224 VanDerWaalsContact C-N 3.26Å; A222-K224 PolarHBondContact O-N 3.08Å; K224-S227 PolarHBondContact O-N 3.48Å; K224-S227 PolarHBondContact O-OG 3.24Å
225L86.4Confident85.8Confident36 Ų3679.3 Ų79.319%0.18844%0.444CS..Hα-helixtrans-61.5-46.8173.4-65.7161.7000111I204 K208 I211 M217 Q221 A222 S227 E228I204-L225 HydrophobicContact CG2-CD2 4.18Å; K208-L225 HydrophobicContact CG-CD2 3.63Å; I211-L225 HydrophobicContact CD1-CD1 3.57Å; M217-L225 HydrophobicContact SD-CD1 3.83Å; Q221-L225 PolarHBondContact O-N 3.2Å; Q221-L225 VanDerWaalsContact O-N 3.13Å; A222-L225 PolarHBondContact O-N 3.13Å; L225-S227 PolarHBondContact O-N 3.16Å; L225-S227 VanDerWaalsContact O-N 3.16Å; L225-E228 WeakPolarHBondContact O-CB 3.32Å; L225-E228 PolarHBondContact O-N 3.2Å
226A87.8Confident86Confident80 Ų8079.8 Ų79.866%0.66145%0.447SS*.Hα-helixtrans-58.3-29.4176.300000113.4A222 E228A222-A226 PolarHBondContact O-N 3.04Å; A226-E228 VanDerWaalsContact C-N 3.3Å; A226-E228 PolarHBondContact O-N 2.97Å
227S88.6Confident86.3Confident37 Ų3774 Ų7426%0.25943%0.428SS..THydrogen-bonded Turntrans-76-10.917871.40000114.8H223 K224 L225 A229 A230 L231H223-S227 PolarHBondContact O-N 3.06Å; K224-S227 PolarHBondContact O-N 3.48Å; K224-S227 PolarHBondContact O-OG 3.24Å; L225-S227 PolarHBondContact O-N 3.16Å; L225-S227 VanDerWaalsContact O-N 3.16Å; S227-A229 PolarHBondContact O-N 3.13Å; S227-A230 PolarHBondContact O-N 2.96Å; S227-L231 VanDerWaalsContact O-CG 3.31Å; S227-L231 WeakPolarHBondContact O-CG 3.21Å; S227-L231 PolarHBondContact O-N 3.21Å; S227-L231 VanDerWaalsContact O-N 3.08Å
228E89.4Confident86.5Confident53 Ų5370.7 Ų70.725%0.24841%0.412CS..Hα-helixtrans-55.6-49.7-175.5-174.7179.2-150.700113.5L201 I204 K208 L225 A226 A230 L231 L232L201-E228 HydrophobicContact CD2-CG 4.18Å; I204-E228 HydrophobicContact CD1-CB 4.24Å; I204-E228 HydrophobicContact CG2-CB 4.19Å; I204-E228 HydrophobicContact CG2-CG 4.13Å; K208-E228 WeakPolarHBondContact CE-OE1 3.49Å; K208-E228 WeakPolarHBondContact CE-OE2 3.33Å; K208-E228 IonicContact NZ-OE1 2.7Å; K208-E228 PolarHBondContact NZ-OE1 2.63Å; K208-E228 IonicContact NZ-OE2 2.63Å; K208-E228 PolarHBondContact NZ-OE2 3.26Å; L225-E228 WeakPolarHBondContact O-CB 3.32Å; L225-E228 PolarHBondContact O-N 3.2Å; A226-E228 VanDerWaalsContact C-N 3.3Å; A226-E228 PolarHBondContact O-N 2.97Å; E228-A230 VanDerWaalsContact C-N 3.29Å; E228-A230 PolarHBondContact O-N 3.31Å; E228-L231 PolarHBondContact O-N 2.83Å; E228-L232 HydrophobicContact CG-CD1 4.25Å; E228-L232 PolarHBondContact O-N 2.95Å
229A88.8Confident86.5Confident73 Ų7370.5 Ų70.560%0.60341%0.409SS*.Hα-helixtrans-61.5-37.2-178.700000112.3S227 A233S227-A229 PolarHBondContact O-N 3.13Å; A229-A233 PolarHBondContact O-N 3.07Å; A229-A233 VanDerWaalsContact O-N 3.1Å
230A90.6Very high86.6Confident52 Ų5271.2 Ų71.243%0.4340%0.401SS..Hα-helixtrans-68.2-41.5176.300000111.9S227 E228 L232 A233 E234S227-A230 PolarHBondContact O-N 2.96Å; E228-A230 VanDerWaalsContact C-N 3.29Å; E228-A230 PolarHBondContact O-N 3.31Å; A230-L232 VanDerWaalsContact C-N 3.32Å; A230-L232 PolarHBondContact O-N 3.1Å; A230-A233 PolarHBondContact O-N 3.17Å; A230-E234 WeakPolarHBondContact O-CB 3.38Å; A230-E234 WeakPolarHBondContact O-CG 3.49Å; A230-E234 PolarHBondContact O-N 3.05Å
231L88.9Confident86.4Confident13 Ų1371.9 Ų71.97%0.06840%0.397CS..Hα-helixtrans-66.4-32.8177.9-61.5170.9000112.5F197 K200 L201 I204 S227 E228 L235F197-L231 HydrophobicContact CD1-CB 4.28Å; F197-L231 HydrophobicContact CD1-CD2 3.56Å; F197-L231 HydrophobicContact CD1-CG 4.5Å; F197-L231 HydrophobicContact CE1-CD2 3.62Å; K200-L231 HydrophobicContact CB-CD1 3.84Å; K200-L231 HydrophobicContact CD-CD1 4.16Å; K200-L231 HydrophobicContact CD-CD2 3.71Å; L201-L231 HydrophobicContact CD2-CB 4.01Å; L201-L231 HydrophobicContact CD2-CD1 4.39Å; L201-L231 HydrophobicContact CG-CB 4.46Å; I204-L231 HydrophobicContact CD1-CD1 3.54Å; S227-L231 VanDerWaalsContact O-CG 3.31Å; S227-L231 WeakPolarHBondContact O-CG 3.21Å; S227-L231 PolarHBondContact O-N 3.21Å; S227-L231 VanDerWaalsContact O-N 3.08Å; E228-L231 PolarHBondContact O-N 2.83Å; L231-L235 WeakPolarHBondContact O-CB 3.46Å; L231-L235 PolarHBondContact O-N 2.89Å; L231-L235 VanDerWaalsContact O-N 3.13Å
232L88.3Confident85.8Confident80 Ų8074.3 Ų74.342%0.41942%0.415SS..Hα-helixtrans-68.8-49173.9-73.6169.3000111.4L201 E228 A230 E234 L235 E236L201-L232 HydrophobicContact CD1-CD2 3.67Å; L201-L232 HydrophobicContact CD1-CG 4.37Å; L201-L232 HydrophobicContact CD2-CD2 4.25Å; L201-L232 HydrophobicContact CD2-CG 4.15Å; E228-L232 HydrophobicContact CG-CD1 4.25Å; E228-L232 PolarHBondContact O-N 2.95Å; A230-L232 VanDerWaalsContact C-N 3.32Å; A230-L232 PolarHBondContact O-N 3.1Å; L232-E234 PolarHBondContact O-N 3.48Å; L232-L235 WeakPolarHBondContact O-CB 3.2Å; L232-L235 PolarHBondContact O-N 3.48Å; L232-L235 VanDerWaalsContact O-N 3.15Å; L232-E236 PolarHBondContact O-N 3.01Å
233A90.4Very high84.9Confident52 Ų5278.9 Ų78.943%0.4343%0.434SS..Hα-helixtrans-59.4-44.2176.300000112A229 A230 L235 E236 T237A229-A233 PolarHBondContact O-N 3.07Å; A229-A233 VanDerWaalsContact O-N 3.1Å; A230-A233 PolarHBondContact O-N 3.17Å; A233-L235 VanDerWaalsContact C-N 3.33Å; A233-L235 PolarHBondContact O-N 3.44Å; A233-E236 PolarHBondContact O-N 3.25Å; A233-T237 WeakPolarHBondContact O-CG2 3.45Å; A233-T237 PolarHBondContact O-N 2.88Å
234E87.9Confident83.3Confident95 Ų9581.8 Ų81.844%0.44445%0.453SS..Hα-helixtrans-61.2-39.9175.7-75.3-179.9-165.400111.8F197 A230 L232 T237 L238F197-E234 HydrophobicContact CE1-CB 4.04Å; F197-E234 WeakPolarHBondContact CE1-OE2 3.3Å; F197-E234 HydrophobicContact CZ-CB 4.08Å; F197-E234 WeakPolarHBondContact CZ-OE2 3.48Å; A230-E234 WeakPolarHBondContact O-CB 3.38Å; A230-E234 WeakPolarHBondContact O-CG 3.49Å; A230-E234 PolarHBondContact O-N 3.05Å; L232-E234 PolarHBondContact O-N 3.48Å; E234-T237 PolarHBondContact O-N 2.95Å; E234-T237 PolarHBondContact O-OG1 3.2Å; E234-L238 WeakPolarHBondContact O-CG 3.35Å; E234-L238 PolarHBondContact O-N 3.36Å
235L86.1Confident83.2Confident14 Ų1480.9 Ų80.97%0.07345%0.454CS..Hα-helixtrans-64.3-40.6174.1-95.5167.9000113.8E194 F197 V198 L201 L231 L232 A233 L238 K239E194-L235 HydrophobicContact CB-CD2 4.19Å; E194-L235 HydrophobicContact CG-CD2 4.18Å; F197-L235 HydrophobicContact CB-CD1 3.62Å; F197-L235 HydrophobicContact CB-CD2 3.88Å; F197-L235 HydrophobicContact CB-CG 3.5Å; F197-L235 VanDerWaalsContact CB-CG 3.5Å; F197-L235 HydrophobicContact CG-CG 4.14Å; V198-L235 HydrophobicContact CG2-CD1 4.2Å; V198-L235 HydrophobicContact CG2-CD2 4.34Å; L201-L235 HydrophobicContact CD1-CD1 3.5Å; L201-L235 VanDerWaalsContact CD1-CD1 3.5Å; L231-L235 WeakPolarHBondContact O-CB 3.46Å; L231-L235 PolarHBondContact O-N 2.89Å; L231-L235 VanDerWaalsContact O-N 3.13Å; L232-L235 WeakPolarHBondContact O-CB 3.2Å; L232-L235 PolarHBondContact O-N 3.48Å; L232-L235 VanDerWaalsContact O-N 3.15Å; A233-L235 VanDerWaalsContact C-N 3.33Å; A233-L235 PolarHBondContact O-N 3.44Å; L235-L238 PolarHBondContact O-N 3.11Å; L235-K239 WeakPolarHBondContact O-CG 3.32Å; L235-K239 PolarHBondContact O-N 3.47Å
236E88.1Confident83Confident126 Ų12683.2 Ų83.259%0.58947%0.468SS*.Hα-helixtrans-64.3-43.1175.5-72.4178.9-179.300111.1L232 A233 L238 K239 N240L232-E236 PolarHBondContact O-N 3.01Å; A233-E236 PolarHBondContact O-N 3.25Å; E236-L238 VanDerWaalsContact C-N 3.28Å; E236-L238 PolarHBondContact O-N 3.36Å; E236-K239 PolarHBondContact O-N 3.1Å; E236-N240 WeakPolarHBondContact O-CB 3.48Å; E236-N240 PolarHBondContact O-N 3.47Å; E236-N240 PolarHBondContact O-ND2 3.48Å
237T87.2Confident82.8Confident74 Ų7483.4 Ų83.445%0.45446%0.458SS..Hα-helixtrans-64.8-30.6175.667.20000113.4A233 E234 K241A233-T237 WeakPolarHBondContact O-CG2 3.45Å; A233-T237 PolarHBondContact O-N 2.88Å; E234-T237 PolarHBondContact O-N 2.95Å; E234-T237 PolarHBondContact O-OG1 3.2Å; T237-K241 WeakPolarHBondContact O-CD 3.29Å; T237-K241 VanDerWaalsContact O-CG 3.26Å; T237-K241 WeakPolarHBondContact O-CG 3.49Å; T237-K241 PolarHBondContact O-N 3.01Å
238L82.5Confident82.4Confident35 Ų3586.1 Ų86.118%0.18347%0.469CS..Hα-helixtrans-71.9-49.5175-76164.8000111.3V193 E194 F197 E234 L235 E236 N240 K241 V242V193-L238 HydrophobicContact CG1-CD1 3.68Å; V193-L238 HydrophobicContact CG1-CD2 4.29Å; E194-L238 HydrophobicContact CG-CB 3.99Å; E194-L238 HydrophobicContact CG-CD1 4.1Å; F197-L238 HydrophobicContact CD2-CD1 3.68Å; F197-L238 HydrophobicContact CE2-CD1 3.6Å; E234-L238 WeakPolarHBondContact O-CG 3.35Å; E234-L238 PolarHBondContact O-N 3.36Å; L235-L238 PolarHBondContact O-N 3.11Å; E236-L238 VanDerWaalsContact C-N 3.28Å; E236-L238 PolarHBondContact O-N 3.36Å; L238-N240 VanDerWaalsContact C-N 3.29Å; L238-N240 PolarHBondContact O-N 3.25Å; L238-K241 WeakPolarHBondContact O-CA 3.46Å; L238-K241 WeakPolarHBondContact O-CB 3.48Å; L238-K241 PolarHBondContact O-N 2.97Å; L238-V242 PolarHBondContact O-N 3.49Å; L238-V242 VanDerWaalsContact O-N 3.12Å
239K82.2Confident82Confident119 Ų11988.2 Ų88.252%0.51748%0.483SS..Hα-helixtrans-56.9-42.5175.9-74-178177-175.30112.4L235 E236 K241 V242 N243L235-K239 WeakPolarHBondContact O-CG 3.32Å; L235-K239 PolarHBondContact O-N 3.47Å; E236-K239 PolarHBondContact O-N 3.1Å; K239-K241 VanDerWaalsContact C-N 3.26Å; K239-K241 PolarHBondContact O-N 3.5Å; K239-V242 PolarHBondContact O-N 3.13Å; K239-N243 PolarHBondContact O-N 3.2Å; K239-N243 PolarHBondContact O-ND2 3.43Å
240N84.2Confident81.5Confident103 Ų10389.2 Ų89.255%0.55148%0.475SS*.Hα-helixtrans-66.8-26.9177.9-68.9-11.5000112.8E236 L238 L244E236-N240 WeakPolarHBondContact O-CB 3.48Å; E236-N240 PolarHBondContact O-N 3.47Å; E236-N240 PolarHBondContact O-ND2 3.48Å; L238-N240 VanDerWaalsContact C-N 3.29Å; L238-N240 PolarHBondContact O-N 3.25Å; N240-L244 WeakPolarHBondContact O-CD1 3.13Å
241K79.8Confident80.9Confident146 Ų14691.9 Ų91.964%0.63548%0.478SS*.Hα-helixtrans-80.2-18.9173.7-76.9171.2-178.9173.20114.3T237 L238 K239T237-K241 WeakPolarHBondContact O-CD 3.29Å; T237-K241 VanDerWaalsContact O-CG 3.26Å; T237-K241 WeakPolarHBondContact O-CG 3.49Å; T237-K241 PolarHBondContact O-N 3.01Å; L238-K241 WeakPolarHBondContact O-CA 3.46Å; L238-K241 WeakPolarHBondContact O-CB 3.48Å; L238-K241 PolarHBondContact O-N 2.97Å; K239-K241 VanDerWaalsContact C-N 3.26Å; K239-K241 PolarHBondContact O-N 3.5Å
242V73.7Confident80.3Confident89 Ų8997.9 Ų97.954%0.53951%0.51SS..Hα-helixtrans-87.2-21.3176.8174.40000111.5L238 K239L238-V242 PolarHBondContact O-N 3.49Å; L238-V242 VanDerWaalsContact O-N 3.12Å; K239-V242 PolarHBondContact O-N 3.13Å
243N63.8Low79.6Confident133 Ų13399.4 Ų99.471%0.71152%0.518SS*.  trans-91.813.4176.8-67.8-30.9000114.1K239K239-N243 PolarHBondContact O-N 3.2Å; K239-N243 PolarHBondContact O-ND2 3.43Å
244L49.6Very low78.6Confident207 Ų207103.7 Ų103.7100%1.08453%0.526SS*.  trans-1270179.3-75.8171.8000110.6N240N240-L244 WeakPolarHBondContact O-CD1 3.13Å

Retrieved 244 of 244 residues in 526.7 ms (Link to these results)

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