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Mediator of RNA polymerase II transcription subunit 10

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB , UniProt , Accession A0A077Z0A0, Species TRITR (Trichuris trichiura, Whipworm), Gene MED10, Length 242 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
1M46.7Very low70.8Confident242 Ų242116.1 Ų116.1100%1.19257%0.566SS**  0105.50-115.8160.2-16900107.3R3M1-R3 PolarHBondContact O-N 3.44Å
2E55Low72Confident190 Ų190108.9 Ų108.989%0.88853%0.532SS*.  trans-63.4121.1178.7-73178.6156.700109M4E2-M4 PolarHBondContact O-N 3.38Å; E2-M4 VanDerWaalsContact O-N 3.08Å
3R65.6Low73Confident193 Ų193110.4 Ų110.473%0.72854%0.537SS*.  trans-67.6103.9178.3-84.3-175.9-169.6153.12.7108.4M1 N5 H16M1-R3 PolarHBondContact O-N 3.44Å; R3-N5 PolarHBondContact O-N 3.13Å; R3-H16 VanDerWaalsContact CB-CE1 3.44Å; R3-H16 WeakPolarHBondContact CB-CE1 3.12Å
4M72.9Confident74Confident148 Ų148105.9 Ų105.973%0.72952%0.517SS*.PPolyproline II helixtrans-62.1126.3177.9-68.2-176.372.900110.2E2 K15E2-M4 PolarHBondContact O-N 3.38Å; E2-M4 VanDerWaalsContact O-N 3.08Å; M4-K15 WeakPolarHBondContact O-CE 3.42Å
5N75.1Confident74.9Confident122 Ų122101.1 Ų101.165%0.65249%0.492SS*.PPolyproline II helixtrans-68.4143.9174.7-66.9-38.3000110.2R3 N12R3-N5 PolarHBondContact O-N 3.13Å; N5-N12 WeakPolarHBondContact CA-OD1 3.32Å; N5-N12 PolarHBondContact OD1-ND2 3.06Å
6S70.8Confident75.6Confident15 Ų1597.8 Ų97.811%0.10548%0.475CS..PPolyproline II helixtrans-70.9164.3166.4-170.50000110.4S8 N12 Y46S6-S8 PolarHBondContact O-N 3.27Å; S6-S8 VanDerWaalsContact O-N 3.09Å; S6-N12 WeakPolarHBondContact CB-OD1 3.49Å; S6-N12 PolarHBondContact N-OD1 3.31Å; S6-Y46 PolarHBondContact OG-OH 3.19Å
7I75.3Confident76.3Confident81 Ų8198.5 Ų98.542%0.41548%0.475SS..SBendtrans-55.3-26.3177.3-166169.1000113V50 A53 L54 I59I7-V50 HydrophobicContact CG2-CG1 4.43Å; I7-A53 HydrophobicContact CG2-CB 3.95Å; I7-L54 HydrophobicContact CD1-CD1 3.91Å; I7-I59 HydrophobicContact CD1-CD1 3.81Å
8S72.2Confident76.9Confident15 Ų1595.3 Ų95.311%0.10546%0.458CS..SBendtrans-124.2134.9172.61780000110.5S6 K10 C11S6-S8 PolarHBondContact O-N 3.27Å; S6-S8 VanDerWaalsContact O-N 3.09Å; S8-K10 PolarHBondContact O-N 2.72Å; S8-K10 VanDerWaalsContact O-N 3.1Å; S8-K10 PolarHBondContact OG-N 3.2Å; S8-C11 PolarHBondContact O-N 3.38Å
9P80.6Confident77.5Confident107 Ų10792.6 Ų92.670%0.69545%0.446SS*.G310 helixtrans-60.2-23.5177.224.8-33.9000112.5C11 N12P9-C11 VanDerWaalsContact C-N 3.26Å; P9-C11 PolarHBondContact O-N 3.13Å; P9-N12 PolarHBondContact O-N 3.04Å
10K81.3Confident78Confident163 Ų16390.4 Ų90.471%0.70944%0.444SS*.G310 helixtrans-65.5-27.7175.9-65179.7-177.6168.90112.9S8S8-K10 PolarHBondContact O-N 2.72Å; S8-K10 VanDerWaalsContact O-N 3.1Å; S8-K10 PolarHBondContact OG-N 3.2Å
11C83.9Confident78.6Confident1 Ų187.6 Ų87.61%0.00743%0.433CS..G310 helixtrans-97.9-0.5-176.7-500000113.1S8 P9 E13 L14 K15 Y46 C49S8-C11 PolarHBondContact O-N 3.38Å; P9-C11 VanDerWaalsContact C-N 3.26Å; P9-C11 PolarHBondContact O-N 3.13Å; C11-E13 PolarHBondContact O-N 2.8Å; C11-L14 PolarHBondContact O-N 3.01Å; C11-K15 WeakPolarHBondContact O-CB 3.39Å; C11-K15 PolarHBondContact O-N 2.91Å; C11-Y46 HydrophobicContact CB-CD2 4.43Å; C11-Y46 HydrophobicContact CB-CE2 4.22Å; C11-C49 VanDerWaalsContact CA-SG 3.52Å; C11-C49 HydrophobicContact CB-CB 4Å; C11-C49 WeakPolarHBondContact CB-SG 3.47Å; C11-C49 WeakPolarHBondContact SG-CB 3.5Å; C11-C49 PolarHBondContact SG-O 3.16Å; C11-C49 VanDerWaalsContact SG-O 3.41Å; C11-C49 CovalentContact SG-SG 2.04Å; C11-C49 PolarHBondContact SG-SG 3.14Å
12N84.2Confident80.6Confident30 Ų3079.4 Ų79.416%0.1639%0.391CS..Hα-helixtrans-60-42.9-178.5-80.1-2.9000112.6N5 S6 P9 K15 H16N5-N12 WeakPolarHBondContact CA-OD1 3.32Å; N5-N12 PolarHBondContact OD1-ND2 3.06Å; S6-N12 WeakPolarHBondContact CB-OD1 3.49Å; S6-N12 PolarHBondContact N-OD1 3.31Å; P9-N12 PolarHBondContact O-N 3.04Å; N12-K15 WeakPolarHBondContact O-CB 3.4Å; N12-K15 PolarHBondContact O-N 3.34Å; N12-H16 PolarHBondContact O-CD2 3.42Å; N12-H16 VanDerWaalsContact O-CG 3.3Å; N12-H16 PolarHBondContact O-N 3.18Å
13E86.1Confident82.1Confident128 Ų12875 Ų7560%0.59837%0.373SS*.Hα-helixtrans-66.2-43.4-179.1-163-167.3148.200111.7C11 K15 H16 K17C11-E13 PolarHBondContact O-N 2.8Å; E13-K15 VanDerWaalsContact C-N 3.35Å; E13-H16 PolarHBondContact O-N 3.34Å; E13-K17 WeakPolarHBondContact O-CG 3.32Å; E13-K17 PolarHBondContact O-N 2.76Å; E13-K17 VanDerWaalsContact O-N 3.12Å; E13-K17 WeakPolarHBondContact OE1-CE 3.44Å; E13-K17 IonicContact OE1-NZ 2.72Å; E13-K17 PolarHBondContact OE1-NZ 2.88Å
14L85.9Confident83.2Confident48 Ų4870.9 Ų70.925%0.25137%0.366SS..Hα-helixtrans-64-40.6175.6-72.9170.7000111.5C11 H16 K17 Y18 L45 Y46 C49C11-L14 PolarHBondContact O-N 3.01Å; L14-H16 PolarHBondContact O-N 2.9Å; L14-K17 PolarHBondContact O-N 3Å; L14-Y18 WeakPolarHBondContact O-CB 3.28Å; L14-Y18 PolarHBondContact O-N 3.15Å; L14-L45 HydrophobicContact CD2-CB 4.32Å; L14-Y46 HydrophobicContact CB-CD2 4.16Å; L14-C49 HydrophobicContact CD1-CB 4.04Å
15K87.6Confident83.9Confident33 Ų3365.2 Ų65.214%0.14334%0.336CS..Hα-helixtrans-58.3-47.7174.6-179169171.242.50111.4M4 C11 N12 E13 K17 Y18 D19 Y46M4-K15 WeakPolarHBondContact O-CE 3.42Å; C11-K15 WeakPolarHBondContact O-CB 3.39Å; C11-K15 PolarHBondContact O-N 2.91Å; N12-K15 WeakPolarHBondContact O-CB 3.4Å; N12-K15 PolarHBondContact O-N 3.34Å; E13-K15 VanDerWaalsContact C-N 3.35Å; K15-K17 PolarHBondContact O-N 3.48Å; K15-Y18 PolarHBondContact O-N 2.91Å; K15-D19 WeakPolarHBondContact CE-OD2 3.24Å; K15-D19 WeakPolarHBondContact CG-OD2 3.34Å; K15-D19 IonicContact NZ-OD1 2.82Å; K15-D19 PolarHBondContact NZ-OD1 3.45Å; K15-D19 VanDerWaalsContact NZ-OD1 3.14Å; K15-D19 IonicContact NZ-OD2 3.93Å; K15-D19 PolarHBondContact NZ-OD2 2.85Å; K15-D19 WeakPolarHBondContact O-CB 3.5Å; K15-D19 VanDerWaalsContact O-CG 3.22Å; K15-D19 PolarHBondContact O-N 2.89Å; K15-Y46 HydrophobicContact CB-CD2 4.09Å; K15-Y46 HydrophobicContact CB-CE2 3.55Å; K15-Y46 HydrophobicContact CD-CE2 4.46Å; K15-Y46 HydrophobicContact CG-CE2 4.14Å
16H87Confident84.4Confident48 Ų4863.3 Ų63.322%0.22232%0.322CS..Hα-helixtrans-66.6-36-179-64.8-33.6000113R3 N12 E13 L14 A20R3-H16 VanDerWaalsContact CB-CE1 3.44Å; R3-H16 WeakPolarHBondContact CB-CE1 3.12Å; N12-H16 PolarHBondContact O-CD2 3.42Å; N12-H16 VanDerWaalsContact O-CG 3.3Å; N12-H16 PolarHBondContact O-N 3.18Å; E13-H16 PolarHBondContact O-N 3.34Å; L14-H16 PolarHBondContact O-N 2.9Å; H16-A20 VanDerWaalsContact O-CB 3.28Å; H16-A20 WeakPolarHBondContact O-CB 3.09Å; H16-A20 PolarHBondContact O-N 3.41Å
17K87.1Confident85.1Confident110 Ų11065.2 Ų65.248%0.47834%0.339SS..Hα-helixtrans-65.1-43.1173.3-71.2177.8-173.3167.20111.4E13 L14 K15 C21 I42E13-K17 WeakPolarHBondContact O-CG 3.32Å; E13-K17 PolarHBondContact O-N 2.76Å; E13-K17 VanDerWaalsContact O-N 3.12Å; E13-K17 WeakPolarHBondContact OE1-CE 3.44Å; E13-K17 IonicContact OE1-NZ 2.72Å; E13-K17 PolarHBondContact OE1-NZ 2.88Å; L14-K17 PolarHBondContact O-N 3Å; K15-K17 PolarHBondContact O-N 3.48Å; K17-C21 WeakPolarHBondContact O-CB 3.1Å; K17-C21 PolarHBondContact O-N 2.99Å; K17-C21 VanDerWaalsContact O-N 3.11Å; K17-I42 HydrophobicContact CB-CG2 4.27Å
18Y87.4Confident85.4Confident41 Ų4167 Ų6716%0.16135%0.346CS..Hα-helixtrans-66.2-49.8176.4175.9-102.4000112.1L14 K15 A20 C21 F22 C39 F43L14-Y18 WeakPolarHBondContact O-CB 3.28Å; L14-Y18 PolarHBondContact O-N 3.15Å; K15-Y18 PolarHBondContact O-N 2.91Å; Y18-A20 VanDerWaalsContact C-N 3.3Å; Y18-A20 PolarHBondContact O-N 3.43Å; Y18-C21 PolarHBondContact O-N 2.05Å; Y18-F22 HydrophobicContact CE1-CB 4.28Å; Y18-F22 HydrophobicContact CE2-CB 4.48Å; Y18-F22 VanDerWaalsContact O-CB 3.29Å; Y18-F22 WeakPolarHBondContact O-CB 3.28Å; Y18-F22 PolarHBondContact O-N 3.23Å; Y18-C39 HydrophobicContact CD2-CB 4.43Å; Y18-C39 HydrophobicContact CE2-CB 4.24Å; Y18-F43 HydrophobicContact CD2-CB 3.84Å; Y18-F43 AromaticContact CD2-CD2 3.99Å; Y18-F43 HydrophobicContact CD2-CD2 3.99Å; Y18-F43 HydrophobicContact CD2-CG 4.4Å; Y18-F43 HydrophobicContact CE1-CD2 4.02Å; Y18-F43 HydrophobicContact CE1-CE2 4.44Å; Y18-F43 HydrophobicContact CE2-CB 3.56Å; Y18-F43 AromaticContact CE2-CD2 3.44Å; Y18-F43 HydrophobicContact CE2-CD2 3.44Å; Y18-F43 VanDerWaalsContact CE2-CD2 3.44Å; Y18-F43 HydrophobicContact CE2-CE2 4.47Å; Y18-F43 AromaticContact CE2-CG 3.85Å; Y18-F43 HydrophobicContact CE2-CG 3.85Å; Y18-F43 HydrophobicContact CG-CD2 4.5Å; Y18-F43 AromaticContact CZ-CD2 3.44Å; Y18-F43 VanDerWaalsContact CZ-CD2 3.44Å
19D88.7Confident85.7Confident44 Ų4471.7 Ų71.724%0.23536%0.361CS..Hα-helixtrans-60.7-39.5-179-71.3-9.7000111.2K15 N23K15-D19 WeakPolarHBondContact CE-OD2 3.24Å; K15-D19 WeakPolarHBondContact CG-OD2 3.34Å; K15-D19 IonicContact NZ-OD1 2.82Å; K15-D19 PolarHBondContact NZ-OD1 3.45Å; K15-D19 VanDerWaalsContact NZ-OD1 3.14Å; K15-D19 IonicContact NZ-OD2 3.93Å; K15-D19 PolarHBondContact NZ-OD2 2.85Å; K15-D19 WeakPolarHBondContact O-CB 3.5Å; K15-D19 VanDerWaalsContact O-CG 3.22Å; K15-D19 PolarHBondContact O-N 2.89Å; D19-N23 WeakPolarHBondContact O-CB 3.49Å; D19-N23 PolarHBondContact O-N 3.21Å; D19-N23 PolarHBondContact O-ND2 3.4Å
20A87.7Confident85.8Confident49 Ų4971.7 Ų71.741%0.40535%0.35SS..Hα-helixtrans-64.1-50.8174.600000111.6H16 Y18 F22 N23 D24H16-A20 VanDerWaalsContact O-CB 3.28Å; H16-A20 WeakPolarHBondContact O-CB 3.09Å; H16-A20 PolarHBondContact O-N 3.41Å; Y18-A20 VanDerWaalsContact C-N 3.3Å; Y18-A20 PolarHBondContact O-N 3.43Å; A20-F22 VanDerWaalsContact C-N 3.33Å; A20-F22 PolarHBondContact O-N 3.09Å; A20-N23 PolarHBondContact O-N 3.11Å; A20-D24 PolarHBondContact O-N 3.01Å; A20-D24 VanDerWaalsContact O-N 3.09Å
21C89.1Confident85.9Confident31 Ų3169.6 Ų69.621%0.20935%0.347CS..Hα-helixtrans-57.9-45.7176.9-174.80000111.7K17 Y18 D24 W25 C39 I42K17-C21 WeakPolarHBondContact O-CB 3.1Å; K17-C21 PolarHBondContact O-N 2.99Å; K17-C21 VanDerWaalsContact O-N 3.11Å; Y18-C21 PolarHBondContact O-N 2.05Å; C21-D24 PolarHBondContact O-N 3.04Å; C21-W25 WeakPolarHBondContact O-CB 3.49Å; C21-W25 PolarHBondContact O-N 3.28Å; C21-C39 HydrophobicContact CB-CB 4Å; C21-C39 WeakPolarHBondContact CB-SG 3.41Å; C21-C39 PolarHBondContact O-SG 3.37Å; C21-C39 VanDerWaalsContact SG-CA 3.51Å; C21-C39 WeakPolarHBondContact SG-CB 3.32Å; C21-C39 CovalentContact SG-SG 2.05Å; C21-C39 PolarHBondContact SG-SG 2.97Å; C21-I42 HydrophobicContact CB-CD1 4.3Å
22F89Confident85.6Confident70 Ų7077.3 Ų77.331%0.30738%0.38SS..Hα-helixtrans-65.7-42.9-178.1178.1-95.6000111.8Y18 A20 W25 F26Y18-F22 HydrophobicContact CE1-CB 4.28Å; Y18-F22 HydrophobicContact CE2-CB 4.48Å; Y18-F22 VanDerWaalsContact O-CB 3.29Å; Y18-F22 WeakPolarHBondContact O-CB 3.28Å; Y18-F22 PolarHBondContact O-N 3.23Å; A20-F22 VanDerWaalsContact C-N 3.33Å; A20-F22 PolarHBondContact O-N 3.09Å; F22-W25 HydrophobicContact CD2-CE3 4.12Å; F22-W25 HydrophobicContact CD2-CZ3 4.33Å; F22-W25 HydrophobicContact CE2-CE3 4.16Å; F22-W25 AromaticContact CE2-CZ3 3.96Å; F22-W25 HydrophobicContact CE2-CZ3 3.96Å; F22-W25 PolarHBondContact O-N 2.95Å; F22-F26 HydrophobicContact CE1-CB 4.41Å; F22-F26 HydrophobicContact CZ-CD2 4.27Å; F22-F26 WeakPolarHBondContact O-CB 3.34Å; F22-F26 PolarHBondContact O-N 3.46Å
23N87.1Confident85.4Confident97 Ų9779.2 Ų79.252%0.51941%0.407SS..Hα-helixtrans-64.2-42.2177.7-72.7-29.9000111.7D19 A20 A27D19-N23 WeakPolarHBondContact O-CB 3.49Å; D19-N23 PolarHBondContact O-N 3.21Å; D19-N23 PolarHBondContact O-ND2 3.4Å; A20-N23 PolarHBondContact O-N 3.11Å; N23-A27 VanDerWaalsContact O-CB 3.24Å; N23-A27 WeakPolarHBondContact O-CB 3.44Å; N23-A27 PolarHBondContact O-N 3.36Å
24D87.7Confident84.8Confident108 Ų10875.6 Ų75.658%0.57839%0.392SS*.Hα-helixtrans-66.2-46.1176.9-67.7-14.7000111A20 C21 A27 E28A20-D24 PolarHBondContact O-N 3.01Å; A20-D24 VanDerWaalsContact O-N 3.09Å; C21-D24 PolarHBondContact O-N 3.04Å; D24-A27 PolarHBondContact O-N 3.35Å; D24-E28 WeakPolarHBondContact O-CB 3.32Å; D24-E28 WeakPolarHBondContact O-CG 3.47Å; D24-E28 PolarHBondContact O-N 3.12Å
25W87.7Confident84.3Confident28 Ų2877.9 Ų77.911%0.10641%0.411CS..Hα-helixtrans-62.9-42.9177174.681.2000112.4C21 F22 R29 F30 E36 D37C21-W25 WeakPolarHBondContact O-CB 3.49Å; C21-W25 PolarHBondContact O-N 3.28Å; F22-W25 HydrophobicContact CD2-CE3 4.12Å; F22-W25 HydrophobicContact CD2-CZ3 4.33Å; F22-W25 HydrophobicContact CE2-CE3 4.16Å; F22-W25 AromaticContact CE2-CZ3 3.96Å; F22-W25 HydrophobicContact CE2-CZ3 3.96Å; F22-W25 PolarHBondContact O-N 2.95Å; W25-R29 HydrophobicContact CG-CB 4.49Å; W25-R29 WeakPolarHBondContact O-CA 3.48Å; W25-R29 WeakPolarHBondContact O-CB 3.35Å; W25-R29 PolarHBondContact O-N 3.35Å; W25-F30 HydrophobicContact CE3-CB 4.32Å; W25-F30 HydrophobicContact CH2-CB 4.1Å; W25-F30 AromaticContact CH2-CD2 3.55Å; W25-F30 HydrophobicContact CH2-CD2 3.55Å; W25-F30 HydrophobicContact CH2-CE2 4.31Å; W25-F30 HydrophobicContact CH2-CG 4.07Å; W25-F30 HydrophobicContact CZ2-CB 4.29Å; W25-F30 HydrophobicContact CZ2-CD2 4.02Å; W25-F30 HydrophobicContact CZ3-CB 4.1Å; W25-F30 HydrophobicContact CZ3-CD2 4.14Å; W25-F30 HydrophobicContact CZ3-CG 4.23Å; W25-F30 PolarHBondContact O-N 3.49Å; W25-E36 PolarHBondContact NE1-O 2.79Å; W25-D37 VanDerWaalsContact CH2-OD1 3.29Å; W25-D37 WeakPolarHBondContact CH2-OD1 3.42Å; W25-D37 WeakPolarHBondContact CZ2-OD1 3.2Å
26F86.2Confident83.8Confident82 Ų8282.8 Ų82.836%0.3644%0.435SS..Hα-helixtrans-64.7-44.6178.6-173.9-100.4000111F22 F30 L31F22-F26 HydrophobicContact CE1-CB 4.41Å; F22-F26 HydrophobicContact CZ-CD2 4.27Å; F22-F26 WeakPolarHBondContact O-CB 3.34Å; F22-F26 PolarHBondContact O-N 3.46Å; F26-F30 HydrophobicContact CD2-CB 4.22Å; F26-F30 AromaticContact CD2-CD1 3.63Å; F26-F30 HydrophobicContact CD2-CD1 3.63Å; F26-F30 HydrophobicContact CD2-CE1 4.35Å; F26-F30 HydrophobicContact CD2-CG 4.15Å; F26-F30 AromaticContact CE2-CD1 3.47Å; F26-F30 HydrophobicContact CE2-CD1 3.47Å; F26-F30 VanDerWaalsContact CE2-CD1 3.47Å; F26-F30 AromaticContact CE2-CE1 3.83Å; F26-F30 HydrophobicContact CE2-CE1 3.83Å; F26-F30 HydrophobicContact CE2-CG 4.41Å; F26-F30 HydrophobicContact CZ-CD1 4.42Å; F26-L31 HydrophobicContact CD1-CD1 4.39Å; F26-L31 HydrophobicContact CE1-CD1 4.24Å; F26-L31 HydrophobicContact CE1-CD2 4.45Å; F26-L31 HydrophobicContact CE1-CG 4.33Å; F26-L31 HydrophobicContact CZ-CD2 4.42Å; F26-L31 VanDerWaalsContact O-CG 3.27Å; F26-L31 WeakPolarHBondContact O-CG 3.3Å; F26-L31 PolarHBondContact O-N 3.39Å; F26-L31 VanDerWaalsContact O-N 3.16Å
27A84.6Confident83.1Confident56 Ų5685.5 Ų85.546%0.46345%0.451SS..Hα-helixtrans-70.2-41-179.700000113.4N23 D24N23-A27 VanDerWaalsContact O-CB 3.24Å; N23-A27 WeakPolarHBondContact O-CB 3.44Å; N23-A27 PolarHBondContact O-N 3.36Å; D24-A27 PolarHBondContact O-N 3.35Å
28E82.6Confident82.9Confident118 Ų11884.7 Ų84.755%0.55146%0.455SS*.Hα-helixtrans-97.2-30.6-171-65.1-160159.300115.2D24 K32D24-E28 WeakPolarHBondContact O-CB 3.32Å; D24-E28 WeakPolarHBondContact O-CG 3.47Å; D24-E28 PolarHBondContact O-N 3.12Å; E28-K32 WeakPolarHBondContact O-CD 3.48Å; E28-K32 WeakPolarHBondContact O-CE 3.36Å; E28-K32 WeakPolarHBondContact O-CG 3.4Å
29R78.8Confident82.8Confident114 Ų11483.1 Ų83.143%0.4345%0.45SS..THydrogen-bonded Turntrans-112.7-57.7-171.5-61-60.8-179.5112.30.4111.6W25 L31 K32 G33 D34W25-R29 HydrophobicContact CG-CB 4.49Å; W25-R29 WeakPolarHBondContact O-CA 3.48Å; W25-R29 WeakPolarHBondContact O-CB 3.35Å; W25-R29 PolarHBondContact O-N 3.35Å; R29-L31 PolarHBondContact O-N 3.35Å; R29-K32 CarbonylContact O-C 3.27Å; R29-K32 WeakPolarHBondContact O-CA 3.46Å; R29-K32 PolarHBondContact O-N 3.07Å; R29-G33 PolarHBondContact O-N 3.32Å; R29-G33 VanDerWaalsContact O-N 3.07Å; R29-D34 CarbonylContact C-O 3.54Å; R29-D34 HydrophobicContact CB-CB 4.1Å; R29-D34 IonicContact NH1-OD2 3.15Å; R29-D34 PolarHBondContact NH1-OD2 3Å; R29-D34 VanDerWaalsContact NH1-OD2 3.15Å; R29-D34 PolarHBondContact O-N 3.07Å
30F82.9Confident82.6Confident106 Ų10686 Ų8647%0.46546%0.462SS..G310 helixtrans-62.1-47.4-175.1-171.8-101.3000112.1W25 F26 K32 G33 D34W25-F30 HydrophobicContact CE3-CB 4.32Å; W25-F30 HydrophobicContact CH2-CB 4.1Å; W25-F30 AromaticContact CH2-CD2 3.55Å; W25-F30 HydrophobicContact CH2-CD2 3.55Å; W25-F30 HydrophobicContact CH2-CE2 4.31Å; W25-F30 HydrophobicContact CH2-CG 4.07Å; W25-F30 HydrophobicContact CZ2-CB 4.29Å; W25-F30 HydrophobicContact CZ2-CD2 4.02Å; W25-F30 HydrophobicContact CZ3-CB 4.1Å; W25-F30 HydrophobicContact CZ3-CD2 4.14Å; W25-F30 HydrophobicContact CZ3-CG 4.23Å; W25-F30 PolarHBondContact O-N 3.49Å; F26-F30 HydrophobicContact CD2-CB 4.22Å; F26-F30 AromaticContact CD2-CD1 3.63Å; F26-F30 HydrophobicContact CD2-CD1 3.63Å; F26-F30 HydrophobicContact CD2-CE1 4.35Å; F26-F30 HydrophobicContact CD2-CG 4.15Å; F26-F30 AromaticContact CE2-CD1 3.47Å; F26-F30 HydrophobicContact CE2-CD1 3.47Å; F26-F30 VanDerWaalsContact CE2-CD1 3.47Å; F26-F30 AromaticContact CE2-CE1 3.83Å; F26-F30 HydrophobicContact CE2-CE1 3.83Å; F26-F30 HydrophobicContact CE2-CG 4.41Å; F26-F30 HydrophobicContact CZ-CD1 4.42Å; F30-K32 PolarHBondContact O-N 3.08Å; F30-G33 PolarHBondContact O-N 3.42Å; F30-D34 WeakPolarHBondContact CA-O 3.44Å
31L82.2Confident82.6Confident120 Ų12087.2 Ų87.263%0.62847%0.466SS*.G310 helixtrans-66.5-19.2175.6-72.2175.7000113.8F26 R29F26-L31 HydrophobicContact CD1-CD1 4.39Å; F26-L31 HydrophobicContact CE1-CD1 4.24Å; F26-L31 HydrophobicContact CE1-CD2 4.45Å; F26-L31 HydrophobicContact CE1-CG 4.33Å; F26-L31 HydrophobicContact CZ-CD2 4.42Å; F26-L31 VanDerWaalsContact O-CG 3.27Å; F26-L31 WeakPolarHBondContact O-CG 3.3Å; F26-L31 PolarHBondContact O-N 3.39Å; F26-L31 VanDerWaalsContact O-N 3.16Å; R29-L31 PolarHBondContact O-N 3.35Å
32K77.7Confident82.4Confident162 Ų16288.3 Ų88.370%0.70447%0.469SS*.G310 helixtrans-96.72.5177.4-60.2-169.3-162.8155.20113.5E28 R29 F30E28-K32 WeakPolarHBondContact O-CD 3.48Å; E28-K32 WeakPolarHBondContact O-CE 3.36Å; E28-K32 WeakPolarHBondContact O-CG 3.4Å; R29-K32 CarbonylContact O-C 3.27Å; R29-K32 WeakPolarHBondContact O-CA 3.46Å; R29-K32 PolarHBondContact O-N 3.07Å; F30-K32 PolarHBondContact O-N 3.08Å
33G80Confident82.4Confident71 Ų7188.5 Ų88.573%0.73247%0.47SS*.THydrogen-bonded Turntrans94.69.7173.500000115.8R29 F30R29-G33 PolarHBondContact O-N 3.32Å; R29-G33 VanDerWaalsContact O-N 3.07Å; F30-G33 PolarHBondContact O-N 3.42Å
34D74.3Confident82.3Confident52 Ų5288.1 Ų88.128%0.27847%0.465SS..  trans-94.6126.5174.4-171.22.9000109.9R29 F30 E36R29-D34 CarbonylContact C-O 3.54Å; R29-D34 HydrophobicContact CB-CB 4.1Å; R29-D34 IonicContact NH1-OD2 3.15Å; R29-D34 PolarHBondContact NH1-OD2 3Å; R29-D34 VanDerWaalsContact NH1-OD2 3.15Å; R29-D34 PolarHBondContact O-N 3.07Å; F30-D34 WeakPolarHBondContact CA-O 3.44Å; D34-E36 PolarHBondContact OD1-N 2.68Å
35S75.2Confident82.3Confident95 Ų9587.5 Ų87.566%0.66446%0.461SS*.  trans-106.710.6-171.766.20000114D37S35-D37 PolarHBondContact O-N 3.15Å
36E76.5Confident82.3Confident137 Ų13788 Ų8864%0.6446%0.463SS*.  trans-78.7115179.6-72-170.3169.900111.9W25 D34 V38W25-E36 PolarHBondContact NE1-O 2.79Å; D34-E36 PolarHBondContact OD1-N 2.68Å; E36-V38 PolarHBondContact O-N 2.94Å
37D73.6Confident82.3Confident104 Ų10487.3 Ų87.356%0.55646%0.462SS*.  trans-76.179.6-178-67-35.7000112.8W25 S35 C39 Q40W25-D37 VanDerWaalsContact CH2-OD1 3.29Å; W25-D37 WeakPolarHBondContact CH2-OD1 3.42Å; W25-D37 WeakPolarHBondContact CZ2-OD1 3.2Å; S35-D37 PolarHBondContact O-N 3.15Å; D37-C39 PolarHBondContact O-N 3.41Å; D37-C39 VanDerWaalsContact O-N 3.14Å; D37-Q40 HydrophobicContact CB-CB 4.19Å; D37-Q40 WeakPolarHBondContact O-CB 3.27Å; D37-Q40 PolarHBondContact O-N 2.75Å
38V82Confident82.4Confident94 Ų9490.8 Ų90.857%0.5747%0.468SS*.THydrogen-bonded Turntrans-60.2-26.2177.9-169.60000112.4E36E36-V38 PolarHBondContact O-N 2.94Å
39C85.1Confident82.6Confident8 Ų886.6 Ų86.65%0.05445%0.452CS..THydrogen-bonded Turntrans-87.8-1.8-175.8-53.20000114.2Y18 C21 D37 I42 F43Y18-C39 HydrophobicContact CD2-CB 4.43Å; Y18-C39 HydrophobicContact CE2-CB 4.24Å; C21-C39 HydrophobicContact CB-CB 4Å; C21-C39 WeakPolarHBondContact CB-SG 3.41Å; C21-C39 PolarHBondContact O-SG 3.37Å; C21-C39 VanDerWaalsContact SG-CA 3.51Å; C21-C39 WeakPolarHBondContact SG-CB 3.32Å; C21-C39 CovalentContact SG-SG 2.05Å; C21-C39 PolarHBondContact SG-SG 2.97Å; D37-C39 PolarHBondContact O-N 3.41Å; D37-C39 VanDerWaalsContact O-N 3.14Å; C39-I42 PolarHBondContact O-N 3.22Å; C39-F43 PolarHBondContact O-N 3.49Å
40Q84.3Confident82.9Confident103 Ų10382.8 Ų82.848%0.48144%0.441SS..Hα-helixtrans-55.4-44-177.4-156.2-126.2-1.600115.2D37 I42 F43 Q44D37-Q40 HydrophobicContact CB-CB 4.19Å; D37-Q40 WeakPolarHBondContact O-CB 3.27Å; D37-Q40 PolarHBondContact O-N 2.75Å; Q40-I42 VanDerWaalsContact C-N 3.32Å; Q40-I42 PolarHBondContact O-N 3.45Å; Q40-F43 WeakPolarHBondContact O-CB 3.1Å; Q40-F43 PolarHBondContact O-N 2.9Å; Q40-Q44 WeakPolarHBondContact O-CG 3.47Å; Q40-Q44 PolarHBondContact O-N 2.92Å
41P88Confident83Confident76 Ų7682.9 Ų82.949%0.49444%0.441SS..Hα-helixtrans-66.3-33179.223.9-33.6000112.9
42I85.8Confident83.1Confident53 Ų5384 Ų8427%0.27244%0.441SS..Hα-helixtrans-72.1-38.4176-55175.8000109.8K17 C21 C39 Q40 L45 Y46K17-I42 HydrophobicContact CB-CG2 4.27Å; C21-I42 HydrophobicContact CB-CD1 4.3Å; C39-I42 PolarHBondContact O-N 3.22Å; Q40-I42 VanDerWaalsContact C-N 3.32Å; Q40-I42 PolarHBondContact O-N 3.45Å; I42-L45 PolarHBondContact O-N 3.25Å; I42-Y46 PolarHBondContact O-N 3.4Å; I42-Y46 VanDerWaalsContact O-N 3.08Å
43F87.8Confident83.4Confident75 Ų7576.5 Ų76.533%0.32941%0.409SS..Hα-helixtrans-61.8-43177.6-175.7-114.1000112.4Y18 C39 Q40 L45 Y46 Q47Y18-F43 HydrophobicContact CD2-CB 3.84Å; Y18-F43 AromaticContact CD2-CD2 3.99Å; Y18-F43 HydrophobicContact CD2-CD2 3.99Å; Y18-F43 HydrophobicContact CD2-CG 4.4Å; Y18-F43 HydrophobicContact CE1-CD2 4.02Å; Y18-F43 HydrophobicContact CE1-CE2 4.44Å; Y18-F43 HydrophobicContact CE2-CB 3.56Å; Y18-F43 AromaticContact CE2-CD2 3.44Å; Y18-F43 HydrophobicContact CE2-CD2 3.44Å; Y18-F43 VanDerWaalsContact CE2-CD2 3.44Å; Y18-F43 HydrophobicContact CE2-CE2 4.47Å; Y18-F43 AromaticContact CE2-CG 3.85Å; Y18-F43 HydrophobicContact CE2-CG 3.85Å; Y18-F43 HydrophobicContact CG-CD2 4.5Å; Y18-F43 AromaticContact CZ-CD2 3.44Å; Y18-F43 VanDerWaalsContact CZ-CD2 3.44Å; C39-F43 PolarHBondContact O-N 3.49Å; Q40-F43 WeakPolarHBondContact O-CB 3.1Å; Q40-F43 PolarHBondContact O-N 2.9Å; F43-L45 PolarHBondContact O-N 3.28Å; F43-Y46 PolarHBondContact O-N 3.49Å; F43-Q47 VanDerWaalsContact O-CB 3.28Å; F43-Q47 WeakPolarHBondContact O-CB 3.29Å; F43-Q47 PolarHBondContact O-N 2.98Å
44Q86.2Confident83.5Confident89 Ų8973.9 Ų73.942%0.41638%0.378SS..Hα-helixtrans-59.1-47.1178.1-71.8179.45.100111.7Q40 Y46 Q47 E48Q40-Q44 WeakPolarHBondContact O-CG 3.47Å; Q40-Q44 PolarHBondContact O-N 2.92Å; Q44-Y46 VanDerWaalsContact C-N 3.33Å; Q44-Y46 PolarHBondContact O-N 3.48Å; Q44-Q47 PolarHBondContact O-N 3.07Å; Q44-E48 WeakPolarHBondContact O-CG 3.4Å; Q44-E48 PolarHBondContact O-N 3.34Å
45L87.5Confident83.7Confident95 Ų9574.6 Ų74.650%0.49739%0.391SS..Hα-helixtrans-61.3-41177.1-68.2171.6000112.2L14 I42 F43 C49L14-L45 HydrophobicContact CD2-CB 4.32Å; I42-L45 PolarHBondContact O-N 3.25Å; F43-L45 PolarHBondContact O-N 3.28Å; L45-C49 WeakPolarHBondContact O-CB 3.39Å; L45-C49 PolarHBondContact O-N 3.4Å; L45-C49 VanDerWaalsContact O-N 3.11Å
46Y86.8Confident84Confident37 Ų3775.7 Ų75.715%0.14539%0.386CS..Hα-helixtrans-67.4-44175.8175.5-112.8000111.9S6 C11 L14 K15 I42 F43 Q44 E48 C49 V50S6-Y46 PolarHBondContact OG-OH 3.19Å; C11-Y46 HydrophobicContact CB-CD2 4.43Å; C11-Y46 HydrophobicContact CB-CE2 4.22Å; L14-Y46 HydrophobicContact CB-CD2 4.16Å; K15-Y46 HydrophobicContact CB-CD2 4.09Å; K15-Y46 HydrophobicContact CB-CE2 3.55Å; K15-Y46 HydrophobicContact CD-CE2 4.46Å; K15-Y46 HydrophobicContact CG-CE2 4.14Å; I42-Y46 PolarHBondContact O-N 3.4Å; I42-Y46 VanDerWaalsContact O-N 3.08Å; F43-Y46 PolarHBondContact O-N 3.49Å; Q44-Y46 VanDerWaalsContact C-N 3.33Å; Q44-Y46 PolarHBondContact O-N 3.48Å; Y46-E48 PolarHBondContact O-N 2.95Å; Y46-C49 WeakPolarHBondContact O-CB 3.4Å; Y46-C49 PolarHBondContact O-N 3.03Å; Y46-V50 HydrophobicContact CD1-CG2 4.33Å; Y46-V50 HydrophobicContact CD2-CG2 3.95Å; Y46-V50 HydrophobicContact CE1-CG2 3.85Å; Y46-V50 HydrophobicContact CE2-CG2 3.41Å; Y46-V50 VanDerWaalsContact CE2-CG2 3.41Å; Y46-V50 HydrophobicContact CG-CG2 4.38Å; Y46-V50 WeakPolarHBondContact O-CG2 3.39Å; Y46-V50 PolarHBondContact O-N 2.99Å
47Q86.2Confident83.8Confident69 Ų6975.2 Ų75.232%0.32238%0.384SS..Hα-helixtrans-62.6-41.6179.3-171.7-177.16.800111.3F43 Q44 V50 K51F43-Q47 VanDerWaalsContact O-CB 3.28Å; F43-Q47 WeakPolarHBondContact O-CB 3.29Å; F43-Q47 PolarHBondContact O-N 2.98Å; Q44-Q47 PolarHBondContact O-N 3.07Å; Q47-V50 PolarHBondContact O-N 3.24Å; Q47-K51 HydrophobicContact CG-CD 4.24Å; Q47-K51 HydrophobicContact CG-CG 4.46Å; Q47-K51 VanDerWaalsContact O-CB 3.29Å; Q47-K51 WeakPolarHBondContact O-CB 3.38Å; Q47-K51 VanDerWaalsContact O-CG 3.28Å; Q47-K51 WeakPolarHBondContact O-CG 3.46Å; Q47-K51 PolarHBondContact O-N 2.98Å
48E86.8Confident83.5Confident129 Ų12977.8 Ų77.860%0.60340%0.398SS*.Hα-helixtrans-62.7-44.1173.4-73.4177.7179.800111.8Q44 Y46 V50 K51 K52Q44-E48 WeakPolarHBondContact O-CG 3.4Å; Q44-E48 PolarHBondContact O-N 3.34Å; Y46-E48 PolarHBondContact O-N 2.95Å; E48-V50 PolarHBondContact O-N 3.26Å; E48-K51 PolarHBondContact O-N 3.45Å; E48-K52 WeakPolarHBondContact O-CB 3.09Å; E48-K52 PolarHBondContact O-N 3.44Å
49C87Confident82.8Confident30 Ų3077.2 Ų77.220%0.20339%0.391CS..Hα-helixtrans-60.1-44.9176-166.20000111.7C11 L14 L45 Y46 K52 A53C11-C49 VanDerWaalsContact CA-SG 3.52Å; C11-C49 HydrophobicContact CB-CB 4Å; C11-C49 WeakPolarHBondContact CB-SG 3.47Å; C11-C49 WeakPolarHBondContact SG-CB 3.5Å; C11-C49 PolarHBondContact SG-O 3.16Å; C11-C49 VanDerWaalsContact SG-O 3.41Å; C11-C49 CovalentContact SG-SG 2.04Å; C11-C49 PolarHBondContact SG-SG 3.14Å; L14-C49 HydrophobicContact CD1-CB 4.04Å; L45-C49 WeakPolarHBondContact O-CB 3.39Å; L45-C49 PolarHBondContact O-N 3.4Å; L45-C49 VanDerWaalsContact O-N 3.11Å; Y46-C49 WeakPolarHBondContact O-CB 3.4Å; Y46-C49 PolarHBondContact O-N 3.03Å; C49-K52 PolarHBondContact O-N 3.02Å; C49-A53 WeakPolarHBondContact O-CB 3.37Å; C49-A53 PolarHBondContact O-N 3.22Å
50V85.5Confident81.6Confident34 Ų3481.4 Ų81.421%0.20641%0.412CS..Hα-helixtrans-70.1-43.7178.9174.20000111.6I7 Y46 Q47 E48 K52 A53 L54I7-V50 HydrophobicContact CG2-CG1 4.43Å; Y46-V50 HydrophobicContact CD1-CG2 4.33Å; Y46-V50 HydrophobicContact CD2-CG2 3.95Å; Y46-V50 HydrophobicContact CE1-CG2 3.85Å; Y46-V50 HydrophobicContact CE2-CG2 3.41Å; Y46-V50 VanDerWaalsContact CE2-CG2 3.41Å; Y46-V50 HydrophobicContact CG-CG2 4.38Å; Y46-V50 WeakPolarHBondContact O-CG2 3.39Å; Y46-V50 PolarHBondContact O-N 2.99Å; Q47-V50 PolarHBondContact O-N 3.24Å; E48-V50 PolarHBondContact O-N 3.26Å; V50-K52 VanDerWaalsContact C-N 3.26Å; V50-K52 PolarHBondContact O-N 2.96Å; V50-A53 CarbonylContact O-C 3.44Å; V50-A53 PolarHBondContact O-N 2.96Å; V50-A53 VanDerWaalsContact O-N 3.14Å; V50-L54 VanDerWaalsContact O-CB 3.25Å; V50-L54 WeakPolarHBondContact O-CB 3.35Å; V50-L54 PolarHBondContact O-N 3.21Å
51K84Confident80.5Confident107 Ų10779.4 Ų79.447%0.46541%0.41SS..Hα-helixtrans-56.9-41.9175.6-81.1179.1174.3-179.50111.2Q47 E48 L54 A55Q47-K51 HydrophobicContact CG-CD 4.24Å; Q47-K51 HydrophobicContact CG-CG 4.46Å; Q47-K51 VanDerWaalsContact O-CB 3.29Å; Q47-K51 WeakPolarHBondContact O-CB 3.38Å; Q47-K51 VanDerWaalsContact O-CG 3.28Å; Q47-K51 WeakPolarHBondContact O-CG 3.46Å; Q47-K51 PolarHBondContact O-N 2.98Å; E48-K51 PolarHBondContact O-N 3.45Å; K51-L54 PolarHBondContact O-N 2.7Å; K51-A55 PolarHBondContact O-N 2.78Å; K51-A55 VanDerWaalsContact O-N 3.1Å
52K85.2Confident79Confident144 Ų14478.1 Ų78.163%0.62640%0.402SS*.Hα-helixtrans-65.7-44.5175.2-169.8174.5-178.8174.60112.2E48 C49 V50 L54 A55 E56E48-K52 WeakPolarHBondContact O-CB 3.09Å; E48-K52 PolarHBondContact O-N 3.44Å; C49-K52 PolarHBondContact O-N 3.02Å; V50-K52 VanDerWaalsContact C-N 3.26Å; V50-K52 PolarHBondContact O-N 2.96Å; K52-L54 VanDerWaalsContact C-N 3.32Å; K52-L54 PolarHBondContact O-N 2.78Å; K52-A55 PolarHBondContact O-N 3.08Å; K52-E56 WeakPolarHBondContact O-CG 3.35Å; K52-E56 PolarHBondContact O-N 3.42Å
53A83.1Confident77.8Confident5 Ų580.5 Ų80.54%0.04141%0.413CS..Hα-helixtrans-66-3317700000113.2I7 C49 V50 E56 Q57I7-A53 HydrophobicContact CG2-CB 3.95Å; C49-A53 WeakPolarHBondContact O-CB 3.37Å; C49-A53 PolarHBondContact O-N 3.22Å; V50-A53 CarbonylContact O-C 3.44Å; V50-A53 PolarHBondContact O-N 2.96Å; V50-A53 VanDerWaalsContact O-N 3.14Å; A53-E56 PolarHBondContact O-N 2.78Å; A53-Q57 WeakPolarHBondContact O-CG 3.4Å; A53-Q57 PolarHBondContact O-N 3.14Å
54L82Confident76.4Confident15 Ų1582.5 Ų82.58%0.07943%0.425CS..Hα-helixtrans-71.1-39.4178.8-161.978.5000111.5I7 V50 K51 K52 E56 Q57 N58 I59 I64I7-L54 HydrophobicContact CD1-CD1 3.91Å; V50-L54 VanDerWaalsContact O-CB 3.25Å; V50-L54 WeakPolarHBondContact O-CB 3.35Å; V50-L54 PolarHBondContact O-N 3.21Å; K51-L54 PolarHBondContact O-N 2.7Å; K52-L54 VanDerWaalsContact C-N 3.32Å; K52-L54 PolarHBondContact O-N 2.78Å; L54-E56 VanDerWaalsContact C-N 3.3Å; L54-E56 PolarHBondContact O-N 2.76Å; L54-Q57 PolarHBondContact O-N 2.9Å; L54-N58 PolarHBondContact O-N 3.39Å; L54-I59 HydrophobicContact CD1-CB 3.69Å; L54-I59 HydrophobicContact CD1-CD1 3.72Å; L54-I59 HydrophobicContact CD1-CG1 4.31Å; L54-I59 HydrophobicContact CD1-CG2 3.72Å; L54-I59 HydrophobicContact CD2-CG2 4.36Å; L54-I59 HydrophobicContact CG-CB 3.85Å; L54-I59 HydrophobicContact CG-CG2 4.03Å; L54-I59 PolarHBondContact O-N 3.22Å; L54-I64 HydrophobicContact CD1-CD1 4.45Å; L54-I64 HydrophobicContact CD2-CD1 3.2Å; L54-I64 HydrophobicContact CD2-CG1 4.48Å; L54-I64 HydrophobicContact CG-CD1 4.45Å
55A80.1Confident75Confident67 Ų6784.1 Ų84.155%0.55444%0.437SS*.Hα-helixtrans-63-35.617200000112.2K51 K52K51-A55 PolarHBondContact O-N 2.78Å; K51-A55 VanDerWaalsContact O-N 3.1Å; K52-A55 PolarHBondContact O-N 3.08Å
56E80.7Confident73.6Confident119 Ų11984.1 Ų84.156%0.55643%0.43SS*.Hα-helixtrans-69.8-29.3175.6-72.4174.3-173.900112.9K52 A53 L54K52-E56 WeakPolarHBondContact O-CG 3.35Å; K52-E56 PolarHBondContact O-N 3.42Å; A53-E56 PolarHBondContact O-N 2.78Å; L54-E56 VanDerWaalsContact C-N 3.3Å; L54-E56 PolarHBondContact O-N 2.76Å
57Q72.1Confident72.1Confident126 Ų12689.2 Ų89.259%0.58946%0.46SS*.THydrogen-bonded Turntrans-92.18.6-178.5-69.9-68-21.100114.1A53 L54 I59A53-Q57 WeakPolarHBondContact O-CG 3.4Å; A53-Q57 PolarHBondContact O-N 3.14Å; L54-Q57 PolarHBondContact O-N 2.9Å; Q57-I59 HydrophobicContact CB-CD1 4.12Å; Q57-I59 HydrophobicContact CB-CG1 4.36Å; Q57-I59 PolarHBondContact O-N 2.04Å; Q57-I59 VanDerWaalsContact O-N 3.16Å
58N68Low70.7Confident159 Ų15988.9 Ų88.985%0.8546%0.46SS*.THydrogen-bonded Turntrans5630.8178.6-1457.2000113.4L54L54-N58 PolarHBondContact O-N 3.39Å
59I66.5Low68.8Low82 Ų8290.6 Ų90.642%0.42147%0.472SS..  trans-90.9114.6171.7-62.9163.7000106I7 L54 Q57 S61I7-I59 HydrophobicContact CD1-CD1 3.81Å; L54-I59 HydrophobicContact CD1-CB 3.69Å; L54-I59 HydrophobicContact CD1-CD1 3.72Å; L54-I59 HydrophobicContact CD1-CG1 4.31Å; L54-I59 HydrophobicContact CD1-CG2 3.72Å; L54-I59 HydrophobicContact CD2-CG2 4.36Å; L54-I59 HydrophobicContact CG-CB 3.85Å; L54-I59 HydrophobicContact CG-CG2 4.03Å; L54-I59 PolarHBondContact O-N 3.22Å; Q57-I59 HydrophobicContact CB-CD1 4.12Å; Q57-I59 HydrophobicContact CB-CG1 4.36Å; Q57-I59 PolarHBondContact O-N 2.04Å; Q57-I59 VanDerWaalsContact O-N 3.16Å; I59-S61 PolarHBondContact O-N 3.43Å
60D60.6Low67.3Low95 Ų9592.3 Ų92.351%0.50849%0.494SS..  trans-56.4101.6-176.9-174.92.3000110.6S62 E63D60-S62 PolarHBondContact O-N 3.38Å; D60-S62 WeakPolarHBondContact OD1-CB 3.44Å; D60-S62 PolarHBondContact OD1-N 2.99Å; D60-S62 PolarHBondContact OD1-OG 3.1Å; D60-S62 PolarHBondContact OD2-OG 3.09Å; D60-E63 PolarHBondContact O-N 3.45Å
61S60Low65.6Low61 Ų6193.9 Ų93.943%0.42750%0.504SS..THydrogen-bonded Turntrans-59.7-11.4178.2320000113I59 E63I59-S61 PolarHBondContact O-N 3.43Å; S61-E63 VanDerWaalsContact C-N 3.3Å; S61-E63 PolarHBondContact O-N 2.97Å
62S58.2Low64.3Low49 Ų4995.2 Ų95.234%0.34352%0.516SS..THydrogen-bonded Turntrans-77.4-7.9178.979.10000114.4D60 R66D60-S62 PolarHBondContact O-N 3.38Å; D60-S62 WeakPolarHBondContact OD1-CB 3.44Å; D60-S62 PolarHBondContact OD1-N 2.99Å; D60-S62 PolarHBondContact OD1-OG 3.1Å; D60-S62 PolarHBondContact OD2-OG 3.09Å; S62-R66 WeakPolarHBondContact O-CD 3.29Å; S62-R66 VanDerWaalsContact O-CG 3.25Å; S62-R66 WeakPolarHBondContact O-CG 3.09Å; S62-R66 PolarHBondContact O-NE 2.72Å; S62-R66 PolarHBondContact OG-NH2 3.43Å
63E59.6Low62.8Low104 Ų10496.1 Ų96.149%0.48652%0.52SS..THydrogen-bonded Turntrans-90-25.8173.8-83.2-171176.600114.4D60 S61 D65 R66D60-E63 PolarHBondContact O-N 3.45Å; S61-E63 VanDerWaalsContact C-N 3.3Å; S61-E63 PolarHBondContact O-N 2.97Å; E63-D65 VanDerWaalsContact C-N 3.33Å; E63-D65 PolarHBondContact O-N 2.85Å; E63-R66 VanDerWaalsContact CG-CZ 3.46Å; E63-R66 WeakPolarHBondContact O-CB 3.49Å; E63-R66 PolarHBondContact O-N 3.24Å; E63-R66 IonicContact OE1-NH1 3.91Å; E63-R66 PolarHBondContact OE1-NH1 3.31Å; E63-R66 VanDerWaalsContact OE1-NH1 3.08Å
64I58.3Low61.4Low116 Ų116101.4 Ų101.460%0.59555%0.548SS*.THydrogen-bonded Turntrans-73.2-30.6-176.5-62.6176000111.4L54 R66L54-I64 HydrophobicContact CD1-CD1 4.45Å; L54-I64 HydrophobicContact CD2-CD1 3.2Å; L54-I64 HydrophobicContact CD2-CG1 4.48Å; L54-I64 HydrophobicContact CG-CD1 4.45Å; I64-R66 VanDerWaalsContact C-N 3.3Å
65D57.4Low60.2Low123 Ų123106.2 Ų106.266%0.65857%0.568SS**THydrogen-bonded Turntrans-84.3-4.4174.9-66.2-26.8000112.6E63 N67E63-D65 VanDerWaalsContact C-N 3.33Å; E63-D65 PolarHBondContact O-N 2.85Å; D65-N67 PolarHBondContact O-N 2.92Å
66R57.8Low58.4Low95 Ų95106.6 Ų106.636%0.35858%0.578SS.*SBendtrans-80.7117.2174.9-66.9173.8-155.3165.15.2108.4S62 E63 I64 I68S62-R66 WeakPolarHBondContact O-CD 3.29Å; S62-R66 VanDerWaalsContact O-CG 3.25Å; S62-R66 WeakPolarHBondContact O-CG 3.09Å; S62-R66 PolarHBondContact O-NE 2.72Å; S62-R66 PolarHBondContact OG-NH2 3.43Å; E63-R66 VanDerWaalsContact CG-CZ 3.46Å; E63-R66 WeakPolarHBondContact O-CB 3.49Å; E63-R66 PolarHBondContact O-N 3.24Å; E63-R66 IonicContact OE1-NH1 3.91Å; E63-R66 PolarHBondContact OE1-NH1 3.31Å; E63-R66 VanDerWaalsContact OE1-NH1 3.08Å; I64-R66 VanDerWaalsContact C-N 3.3Å; R66-I68 HydrophobicContact CB-CD1 4.16Å; R66-I68 HydrophobicContact CB-CG1 3.73Å; R66-I68 PolarHBondContact O-N 2.94Å
67N55.5Low56.3Low145 Ų145108.1 Ų108.178%0.77559%0.59SS**  trans-62.781.7160.4-76.5-35.8000109.1D65 I69 T71D65-N67 PolarHBondContact O-N 2.92Å; N67-I69 VanDerWaalsContact C-N 3.29Å; N67-T71 WeakPolarHBondContact O-CG2 3.28Å; N67-T71 PolarHBondContact O-OG1 3.4Å; N67-T71 VanDerWaalsContact O-OG1 3.13Å
68I56.1Low54.9Low61 Ų61107 Ų10731%0.31360%0.597SS.*  trans-77-23.4177.9-63.2169.6000110.2R66 G70 T71R66-I68 HydrophobicContact CB-CD1 4.16Å; R66-I68 HydrophobicContact CB-CG1 3.73Å; R66-I68 PolarHBondContact O-N 2.94Å; I68-G70 PolarHBondContact O-N 3.46Å; I68-T71 WeakPolarHBondContact CA-OG1 3.43Å; I68-T71 PolarHBondContact O-N 3.12Å; I68-T71 PolarHBondContact O-OG1 3.28Å
69I47.9Very low53.9Low166 Ų166106.5 Ų106.585%0.85159%0.593SS**THydrogen-bonded Turntrans-70.5100.1175.2-54.8179.9000109.3N67N67-I69 VanDerWaalsContact C-N 3.29Å
70G54.4Low52.3Low66 Ų66108.3 Ų108.368%0.6861%0.614SS**THydrogen-bonded Turntrans105.73.5178.400000115.8I68I68-G70 PolarHBondContact O-N 3.46Å
71T50.1Low51.6Low66 Ų66108.9 Ų108.941%0.40562%0.62SS.*SBendtrans-103.1161.6177.754.80000113N67 I68 K73 D74N67-T71 WeakPolarHBondContact O-CG2 3.28Å; N67-T71 PolarHBondContact O-OG1 3.4Å; N67-T71 VanDerWaalsContact O-OG1 3.13Å; I68-T71 WeakPolarHBondContact CA-OG1 3.43Å; I68-T71 PolarHBondContact O-N 3.12Å; I68-T71 PolarHBondContact O-OG1 3.28Å; T71-K73 PolarHBondContact O-N 2.9Å; T71-D74 PolarHBondContact O-N 3.46Å
72D56.2Low50.5Low136 Ų136114.9 Ų114.973%0.72764%0.644SS**G310 helixtrans-61.1-10.2-166.5-69.2-48.1000116.1D74D72-D74 VanDerWaalsContact C-N 3.29Å; D72-D74 PolarHBondContact O-N 3.44Å
73K54.4Low49.8Very low163 Ų163118.3 Ų118.371%0.70966%0.658SS**G310 helixtrans-74.9-11.9179.2-70-170.6172.8-174.90114.5T71T71-K73 PolarHBondContact O-N 2.9Å
74D54.5Low48.9Very low116 Ų116123.6 Ų123.662%0.6267%0.673SS**G310 helixtrans-84.8-6.2175.9-94.7-16.1000114.5T71 D72T71-D74 PolarHBondContact O-N 3.46Å; D72-D74 VanDerWaalsContact C-N 3.29Å; D72-D74 PolarHBondContact O-N 3.44Å
75K55.3Low48.3Very low116 Ų116123.1 Ų123.150%0.50468%0.678SS.*  trans-111.374.7-168.4-68.7176.4-172.7135.60112.7
76G42.6Very low48.1Very low74 Ų74121 Ų12176%0.76367%0.669SS**  trans-12922.3-173.600000117.6
77N37.5Very low47.6Very low152 Ų152122.7 Ų122.781%0.81368%0.682SS**SBendtrans-169.2102.3157.5-154.216.9000112.5
78S42.2Very low47.2Very low103 Ų103119.4 Ų119.472%0.7267%0.669SS**  trans156.8102.4143.1-77.30000112.8
79N46.2Very low47.2Very low147 Ų147121.2 Ų121.279%0.78668%0.678SS**  trans45.8100.4139.4-59.7-21.6000118.9V81N79-V81 PolarHBondContact O-N 2.99Å; N79-V81 VanDerWaalsContact O-N 3.09Å
80S33.4Very low47.1Very low121 Ų121121.5 Ų121.585%0.84668%0.676SS**  trans-49.5101.8157.9162.90000112.1
81V45.8Very low46.6Very low107 Ų107123.7 Ų123.765%0.64867%0.672SS**  trans-103.1115.5155.4-179.50000107.3N79 L83N79-V81 PolarHBondContact O-N 2.99Å; N79-V81 VanDerWaalsContact O-N 3.09Å; V81-L83 HydrophobicContact CG1-CG 4.37Å; V81-L83 PolarHBondContact O-N 3.42Å
82M36.9Very low46.5Very low187 Ų187125 Ų12592%0.92168%0.676SS**  trans-64.196.9171.4-113.6-151.6-90.300108.8
83L43.4Very low45.8Very low120 Ų120123 Ų12363%0.62868%0.678SS**  trans-88.2124.7171.4-76.4157.9000108.9V81 L203V81-L83 HydrophobicContact CG1-CG 4.37Å; V81-L83 PolarHBondContact O-N 3.42Å; L83-L203 HydrophobicContact CD1-CD1 4.04Å
84R41.3Very low45.4Very low215 Ų215119.2 Ų119.281%0.81168%0.677SS**  trans-55.9146.8169.9-73-179.3172.5-155.2-1.7109.4V86R84-V86 PolarHBondContact O-N 2.87Å
85P45.4Very low44.8Very low107 Ų107116 Ų11670%0.69566%0.664SS**  trans-60.4115.9174.724.7-30.9000108.8
86V53.3Low44.2Very low78 Ų78116.3 Ų116.347%0.47368%0.681SS.*PPolyproline II helixtrans-77.8132.2169.2179.10000106.5R84 N200R84-V86 PolarHBondContact O-N 2.87Å; V86-N200 WeakPolarHBondContact CB-ND2 3.37Å
87M46.4Very low44.1Very low130 Ų130121.2 Ų121.264%0.6468%0.681SS**PPolyproline II helixtrans-51.4142.4175.8-69.5-72.7174.400110.3I89M87-I89 PolarHBondContact O-N 3.42Å
88P47.7Very low43.9Very low76 Ų76120 Ų12049%0.49468%0.683SS.*PPolyproline II helixtrans-55135.3175.620.5-29.6000110.2E90 L91P88-E90 PolarHBondContact O-N 3.04Å; P88-L91 PolarHBondContact O-N 2.77Å
89I57.1Low43.4Very low99 Ų99125.1 Ų125.151%0.50869%0.686SS.*Hα-helixtrans-56.6-23.7-176.8-67.1168.8000111.7M87 L91 L92 A93 V197M87-I89 PolarHBondContact O-N 3.42Å; I89-L91 VanDerWaalsContact C-N 3.28Å; I89-L91 PolarHBondContact O-N 3.23Å; I89-L92 PolarHBondContact O-N 3.47Å; I89-A93 PolarHBondContact O-N 3.25Å; I89-V197 HydrophobicContact CD1-CG1 4.02Å; I89-V197 HydrophobicContact CD1-CG2 4.11Å
90E45.4Very low43.1Very low172 Ų172126.9 Ų126.980%0.80469%0.692SS**Hα-helixtrans-67.4-23.3176.3-64.1-178.7173.400113.8P88P88-E90 PolarHBondContact O-N 3.04Å
91L44.1Very low43.1Very low113 Ų113128.5 Ų128.559%0.59269%0.686SS**Hα-helixtrans-87.2-17.6174.4-138.479.1000113P88 I89 A93 S95P88-L91 PolarHBondContact O-N 2.77Å; I89-L91 VanDerWaalsContact C-N 3.28Å; I89-L91 PolarHBondContact O-N 3.23Å; L91-A93 VanDerWaalsContact C-N 3.34Å; L91-S95 PolarHBondContact O-N 3.2Å; L91-S95 PolarHBondContact O-OG 3.45Å
92L47.4Very low42.8Very low94 Ų94128.3 Ų128.349%0.49269%0.687SS.*Hα-helixtrans-74.7-28.3172.1-72.2167.5000111.4I89 A94 S95I89-L92 PolarHBondContact O-N 3.47Å; L92-A94 VanDerWaalsContact C-N 3.35Å; L92-S95 PolarHBondContact O-OG 2.91Å
93A41.8Very low42.8Very low92 Ų92123.6 Ų123.676%0.7667%0.673SS**THydrogen-bonded Turntrans-74-23.7174.600000113.5I89 L91I89-A93 PolarHBondContact O-N 3.25Å; L91-A93 VanDerWaalsContact C-N 3.34Å
94A46.4Very low42.9Very low85 Ų85125.3 Ų125.370%0.70268%0.683SS**THydrogen-bonded Turntrans-93.6-10-178.300000114.2L92L92-A94 VanDerWaalsContact C-N 3.35Å
95S40Very low43.2Very low48 Ų48123.1 Ų123.134%0.33668%0.682SS.*SBendtrans-96.5134.3170.354.90000108.8L91 L92 F97L91-S95 PolarHBondContact O-N 3.2Å; L91-S95 PolarHBondContact O-OG 3.45Å; L92-S95 PolarHBondContact O-OG 2.91Å; S95-F97 PolarHBondContact O-N 2.86Å
96S44.3Very low43.6Very low123 Ų123120.6 Ų120.686%0.8667%0.667SS**SBendtrans-61.828.5173.8-60.90000114.5
97F40.2Very low43.8Very low177 Ų177119.8 Ų119.878%0.77667%0.668SS**THydrogen-bonded Turntrans-87.2-2.4-169.8-121.3-94.1000114.1S95S95-F97 PolarHBondContact O-N 2.86Å
98C33Very low44.6Very low125 Ų125118.2 Ų118.285%0.84567%0.67SS**THydrogen-bonded Turntrans-95.326.7169.5-73.10000113.8
99R31Very low45.6Very low211 Ų211116.7 Ų116.780%0.79666%0.661SS**  trans-9194.8148.3-93.2-174.2-173.5-165.72.2107.5E101R99-E101 PolarHBondContact O-N 3.4Å
100M41.1Very low46.7Very low185 Ų185114 Ų11491%0.91165%0.654SS**  trans-63.795.5155.4-77.516465.300106.2
101E33.6Very low48.6Very low154 Ų154107.8 Ų107.872%0.7263%0.632SS**  trans-64.3130.7158.4-66.1-149.2138.600106.8R99 S103R99-E101 PolarHBondContact O-N 3.4Å; E101-S103 PolarHBondContact O-N 3.11Å
102P38.6Very low50.6Low103 Ų103105.7 Ų105.767%0.66962%0.616SS**  trans-67.4104.1178.227.5-29.5000107.1D104P102-D104 PolarHBondContact O-N 3.43Å
103S36.7Very low52.5Low89 Ų89105.1 Ų105.162%0.62261%0.61SS**  trans-55.9125.1162.8-38.40000106.8E101 Q105 S106E101-S103 PolarHBondContact O-N 3.11Å; S103-Q105 PolarHBondContact O-N 3.41Å; S103-S106 WeakPolarHBondContact O-CB 3.42Å; S103-S106 PolarHBondContact O-N 3.49Å; S103-S106 PolarHBondContact O-OG 3.49Å
104D45.7Very low54.8Low156 Ų156104.2 Ų104.283%0.83459%0.592SS**THydrogen-bonded Turntrans-53.4-14.1-176.8-82.5-41.5000114.7P102 S106P102-D104 PolarHBondContact O-N 3.43Å; D104-S106 VanDerWaalsContact C-N 3.25Å; D104-S106 PolarHBondContact O-N 3Å
105Q47.7Very low56.9Low168 Ų168104.5 Ų104.579%0.78558%0.582SS**Hα-helixtrans-68.6-21171.3-68.4179.6-10.300113.6S103 A107 S109S103-Q105 PolarHBondContact O-N 3.41Å; Q105-A107 VanDerWaalsContact C-N 3.34Å; Q105-A107 PolarHBondContact O-N 3.3Å; Q105-S109 PolarHBondContact O-N 3Å
106S53.2Low59.3Low54 Ų54104.2 Ų104.238%0.37858%0.576SS.*Hα-helixtrans-63.2-37.2177.7580000112.4S103 D104 S108 S109 A110S103-S106 WeakPolarHBondContact O-CB 3.42Å; S103-S106 PolarHBondContact O-N 3.49Å; S103-S106 PolarHBondContact O-OG 3.49Å; D104-S106 VanDerWaalsContact C-N 3.25Å; D104-S106 PolarHBondContact O-N 3Å; S106-S108 PolarHBondContact O-N 3.45Å; S106-S109 PolarHBondContact O-N 3.47Å; S106-S109 PolarHBondContact O-OG 3.38Å; S106-A110 PolarHBondContact O-N 3.01Å
107A57.9Low61.5Low62 Ų62103.6 Ų103.651%0.51256%0.56SS.*Hα-helixtrans-64.9-43.9-176.700000113Q105 S109 A110 A111Q105-A107 VanDerWaalsContact C-N 3.34Å; Q105-A107 PolarHBondContact O-N 3.3Å; A107-S109 VanDerWaalsContact C-N 3.27Å; A107-S109 PolarHBondContact O-N 2.89Å; A107-A110 PolarHBondContact O-N 2.83Å; A107-A111 PolarHBondContact O-N 3.19Å
108S63.5Low64Low96 Ų96100.8 Ų100.867%0.67155%0.549SS*.Hα-helixtrans-66.4-32.6176.8-178.80000112S106S106-S108 PolarHBondContact O-N 3.45Å
109S69.2Low66.8Low45 Ų4595.9 Ų95.932%0.31552%0.516SS..Hα-helixtrans-74.2-35.9177.976.70000112Q105 S106 A107 R112 F113Q105-S109 PolarHBondContact O-N 3Å; S106-S109 PolarHBondContact O-N 3.47Å; S106-S109 PolarHBondContact O-OG 3.38Å; A107-S109 VanDerWaalsContact C-N 3.27Å; A107-S109 PolarHBondContact O-N 2.89Å; S109-R112 WeakPolarHBondContact O-CG 3.46Å; S109-F113 WeakPolarHBondContact O-CD2 3.42Å; S109-F113 WeakPolarHBondContact O-CE2 3.34Å
110A80Confident69.7Low42 Ų4289.3 Ų89.335%0.34750%0.497SS..Hα-helixtrans-66.1-48.1175.500000110.8S106 A107 R112 F113 D114S106-A110 PolarHBondContact O-N 3.01Å; A107-A110 PolarHBondContact O-N 2.83Å; A110-R112 VanDerWaalsContact C-N 3.26Å; A110-R112 PolarHBondContact O-N 2.92Å; A110-R112 VanDerWaalsContact O-N 3.13Å; A110-F113 WeakPolarHBondContact O-CA 3.34Å; A110-F113 PolarHBondContact O-N 2.95Å; A110-D114 VanDerWaalsContact O-CG 3.29Å; A110-D114 PolarHBondContact O-N 2.89Å
111A84.2Confident72.3Confident42 Ų4286.1 Ų86.135%0.34748%0.479SS..Hα-helixtrans-56.5-37.3-177.800000113.2A107 D114 N115A107-A111 PolarHBondContact O-N 3.19Å; A111-D114 PolarHBondContact O-N 2.78Å; A111-N115 PolarHBondContact O-N 3.36Å; A111-N115 PolarHBondContact O-ND2 2.88Å
112R86.8Confident75.1Confident69 Ų6981 Ų8126%0.2646%0.464SS..Hα-helixtrans-66.4-36.1176.459.2165.6-173.1-179.1-1.2112.6S109 A110 L116 K165 F166 D168S109-R112 WeakPolarHBondContact O-CG 3.46Å; A110-R112 VanDerWaalsContact C-N 3.26Å; A110-R112 PolarHBondContact O-N 2.92Å; A110-R112 VanDerWaalsContact O-N 3.13Å; R112-L116 PolarHBondContact O-N 2.82Å; R112-K165 PolarHBondContact NH1-O 3.02Å; R112-F166 HydrophobicContact CB-CE1 4.41Å; R112-F166 HydrophobicContact CB-CZ 4.37Å; R112-F166 HydrophobicContact CG-CE1 4.17Å; R112-F166 WeakPolarHBondContact O-CZ 3.42Å; R112-D168 IonicContact CZ-OD1 2.65Å; R112-D168 IonicContact CZ-OD2 3.14Å; R112-D168 IonicContact NH1-OD1 3.83Å; R112-D168 PolarHBondContact NH1-OD1 3.46Å; R112-D168 IonicContact NH1-OD2 3.22Å; R112-D168 PolarHBondContact NH1-OD2 3.44Å; R112-D168 IonicContact NH2-OD1 3.08Å; R112-D168 IonicContact NH2-OD2 2.73Å; R112-D168 PolarHBondContact NH2-OD2 2.85Å
113F88.2Confident77.7Confident81 Ų8177.2 Ų77.236%0.35544%0.438SS..Hα-helixtrans-71.6-41.8176.5-68-67.8000110.6S109 A110 N115 L116 E117 F166 V169S109-F113 WeakPolarHBondContact O-CD2 3.42Å; S109-F113 WeakPolarHBondContact O-CE2 3.34Å; A110-F113 WeakPolarHBondContact O-CA 3.34Å; A110-F113 PolarHBondContact O-N 2.95Å; F113-N115 VanDerWaalsContact C-N 3.29Å; F113-N115 PolarHBondContact O-N 3Å; F113-L116 WeakPolarHBondContact O-CA 3.11Å; F113-L116 WeakPolarHBondContact O-CB 3.41Å; F113-L116 PolarHBondContact O-N 3.43Å; F113-E117 WeakPolarHBondContact O-CB 3.42Å; F113-E117 PolarHBondContact O-N 3.38Å; F113-F166 HydrophobicContact CD1-CD1 4.09Å; F113-F166 AromaticContact CD1-CE1 3.52Å; F113-F166 HydrophobicContact CD1-CE1 3.52Å; F113-F166 HydrophobicContact CD1-CZ 4.47Å; F113-F166 AromaticContact CE1-CD1 3.62Å; F113-F166 HydrophobicContact CE1-CD1 3.62Å; F113-F166 AromaticContact CE1-CE1 3.53Å; F113-F166 HydrophobicContact CE1-CE1 3.53Å; F113-F166 HydrophobicContact CG-CE1 4.26Å; F113-F166 HydrophobicContact CZ-CD1 4.27Å; F113-F166 HydrophobicContact CZ-CE1 4.28Å; F113-V169 HydrophobicContact CE1-CG2 4.11Å; F113-V169 HydrophobicContact CZ-CG2 3.78Å
114D90.1Very high80.5Confident74 Ų7478.6 Ų78.640%0.39644%0.437SS..Hα-helixtrans-58.3-42.6176.3-57-23.8000111.4A110 A111 L116 E117 Q118A110-D114 VanDerWaalsContact O-CG 3.29Å; A110-D114 PolarHBondContact O-N 2.89Å; A111-D114 PolarHBondContact O-N 2.78Å; D114-L116 VanDerWaalsContact C-N 3.32Å; D114-L116 PolarHBondContact O-N 2.87Å; D114-E117 PolarHBondContact O-N 3.26Å; D114-Q118 WeakPolarHBondContact O-CB 3.38Å; D114-Q118 VanDerWaalsContact O-CG 3.27Å; D114-Q118 WeakPolarHBondContact O-CG 3.45Å; D114-Q118 PolarHBondContact O-N 2.83Å
115N89.4Confident82.8Confident91 Ų9174.3 Ų74.349%0.48741%0.412SS..Hα-helixtrans-63.3-37.6175.8-82.8-79.4000112.3A111 F113 S119A111-N115 PolarHBondContact O-N 3.36Å; A111-N115 PolarHBondContact O-ND2 2.88Å; F113-N115 VanDerWaalsContact C-N 3.29Å; F113-N115 PolarHBondContact O-N 3Å; N115-S119 PolarHBondContact O-N 3.45Å; N115-S119 PolarHBondContact O-OG 2.74Å
116L90.4Very high84.9Confident41 Ų4168 Ų6822%0.21538%0.383CS..Hα-helixtrans-69.3-44.6176.7178.565.2000110.8R112 F113 D114 S119 L120 L159 F166R112-L116 PolarHBondContact O-N 2.82Å; F113-L116 WeakPolarHBondContact O-CA 3.11Å; F113-L116 WeakPolarHBondContact O-CB 3.41Å; F113-L116 PolarHBondContact O-N 3.43Å; D114-L116 VanDerWaalsContact C-N 3.32Å; D114-L116 PolarHBondContact O-N 2.87Å; L116-S119 WeakPolarHBondContact O-CB 3.31Å; L116-S119 PolarHBondContact O-N 3.12Å; L116-S119 VanDerWaalsContact O-N 3.16Å; L116-L120 HydrophobicContact CD1-CD1 4.47Å; L116-L120 HydrophobicContact CG-CD1 4.11Å; L116-L120 WeakPolarHBondContact O-CG 3.28Å; L116-L120 PolarHBondContact O-N 3.29Å; L116-L159 HydrophobicContact CD1-CD2 3.76Å; L116-F166 HydrophobicContact CB-CE2 4.22Å; L116-F166 HydrophobicContact CB-CZ 3.83Å; L116-F166 HydrophobicContact CD1-CE2 4.41Å; L116-F166 HydrophobicContact CD2-CD2 4.35Å; L116-F166 HydrophobicContact CD2-CE1 4.25Å; L116-F166 HydrophobicContact CD2-CE2 3.81Å; L116-F166 HydrophobicContact CD2-CZ 3.75Å; L116-F166 HydrophobicContact CG-CE2 4.37Å; L116-F166 HydrophobicContact CG-CZ 4.33Å
117E91.4Very high86.8Confident110 Ų11068.2 Ų68.251%0.51438%0.382SS..Hα-helixtrans-58.2-50.7177.2-175.4171.7-167.800111.2F113 D114 S119 L120 E121F113-E117 WeakPolarHBondContact O-CB 3.42Å; F113-E117 PolarHBondContact O-N 3.38Å; D114-E117 PolarHBondContact O-N 3.26Å; E117-S119 PolarHBondContact O-N 3.34Å; E117-L120 WeakPolarHBondContact O-CB 3.47Å; E117-L120 PolarHBondContact O-N 2.94Å; E117-E121 WeakPolarHBondContact O-CG 3.46Å; E117-E121 PolarHBondContact O-N 3.41Å
118Q92.9Very high88.5Confident119 Ų11970.8 Ų70.856%0.55638%0.379SS*.Hα-helixtrans-57-35.6175.9-72.4172.126.500112.7D114 A122D114-Q118 WeakPolarHBondContact O-CB 3.38Å; D114-Q118 VanDerWaalsContact O-CG 3.27Å; D114-Q118 WeakPolarHBondContact O-CG 3.45Å; D114-Q118 PolarHBondContact O-N 2.83Å; Q118-A122 VanDerWaalsContact O-CB 3.31Å; Q118-A122 WeakPolarHBondContact O-CB 3.29Å; Q118-A122 PolarHBondContact O-N 2.78Å
119S91.1Very high89.8Confident21 Ų2168.9 Ų68.915%0.14736%0.359CS..Hα-helixtrans-72.6-38.7178.5-51.40000111.7N115 L116 E117 L123 K162N115-S119 PolarHBondContact O-N 3.45Å; N115-S119 PolarHBondContact O-OG 2.74Å; L116-S119 WeakPolarHBondContact O-CB 3.31Å; L116-S119 PolarHBondContact O-N 3.12Å; L116-S119 VanDerWaalsContact O-N 3.16Å; E117-S119 PolarHBondContact O-N 3.34Å; S119-L123 WeakPolarHBondContact O-CB 3.5Å; S119-L123 PolarHBondContact O-N 3.2Å; S119-K162 PolarHBondContact OG-NZ 2.86Å
120L93Very high90.9Very high74 Ų7468.3 Ų68.339%0.38735%0.353SS..Hα-helixtrans-67.1-44.2174.5-73169.1000111.3L116 E117 A122 L123 I124 L159L116-L120 HydrophobicContact CD1-CD1 4.47Å; L116-L120 HydrophobicContact CG-CD1 4.11Å; L116-L120 WeakPolarHBondContact O-CG 3.28Å; L116-L120 PolarHBondContact O-N 3.29Å; E117-L120 WeakPolarHBondContact O-CB 3.47Å; E117-L120 PolarHBondContact O-N 2.94Å; L120-A122 PolarHBondContact O-N 3.46Å; L120-L123 PolarHBondContact O-N 2.81Å; L120-I124 VanDerWaalsContact O-CG1 3.28Å; L120-I124 WeakPolarHBondContact O-CG1 3.29Å; L120-I124 PolarHBondContact O-N 3.38Å; L120-L159 HydrophobicContact CD2-CD1 3.83Å; L120-L159 HydrophobicContact CD2-CD2 3.85Å; L120-L159 HydrophobicContact CG-CD2 4.09Å
121E94.1Very high91.4Very high117 Ų11769.7 Ų69.755%0.54736%0.359SS..Hα-helixtrans-59.6-46.1174.9-72.1-174.3153.400111.5E117 L123 I124 E125E117-E121 WeakPolarHBondContact O-CG 3.46Å; E117-E121 PolarHBondContact O-N 3.41Å; E121-L123 VanDerWaalsContact C-N 3.3Å; E121-L123 PolarHBondContact O-N 3.34Å; E121-I124 PolarHBondContact O-N 3.1Å; E121-E125 WeakPolarHBondContact O-CB 3.25Å; E121-E125 PolarHBondContact O-N 3.46Å
122A92.7Very high91.6Very high48 Ų4871.9 Ų71.940%0.39736%0.363SS..Hα-helixtrans-61.5-37.3175.800000112.3Q118 L120 N126Q118-A122 VanDerWaalsContact O-CB 3.31Å; Q118-A122 WeakPolarHBondContact O-CB 3.29Å; Q118-A122 PolarHBondContact O-N 2.78Å; L120-A122 PolarHBondContact O-N 3.46Å; A122-N126 WeakPolarHBondContact O-CB 3.4Å; A122-N126 VanDerWaalsContact O-CG 3.29Å; A122-N126 PolarHBondContact O-N 3.14Å; A122-N126 PolarHBondContact O-ND2 3.44Å
123L94Very high91.8Very high23 Ų2370 Ų7012%0.1236%0.359CS..Hα-helixtrans-68.4-44.2176.2-17764.7000111.9S119 L120 E121 E125 N126 T127 I152 L156 L159S119-L123 WeakPolarHBondContact O-CB 3.5Å; S119-L123 PolarHBondContact O-N 3.2Å; L120-L123 PolarHBondContact O-N 2.81Å; E121-L123 VanDerWaalsContact C-N 3.3Å; E121-L123 PolarHBondContact O-N 3.34Å; L123-E125 VanDerWaalsContact C-N 3.34Å; L123-N126 PolarHBondContact O-N 3.44Å; L123-T127 WeakPolarHBondContact O-CB 3.24Å; L123-T127 PolarHBondContact O-N 2.94Å; L123-T127 PolarHBondContact O-OG1 3.24Å; L123-I152 HydrophobicContact CD1-CB 4.37Å; L123-I152 HydrophobicContact CD1-CG1 4.36Å; L123-I152 HydrophobicContact CD1-CG2 4.12Å; L123-L156 HydrophobicContact CD2-CD2 3.94Å; L123-L159 HydrophobicContact CD2-CD1 3.46Å; L123-L159 VanDerWaalsContact CD2-CD1 3.46Å
124I94.6Very high91.9Very high117 Ų11769.1 Ų69.160%0.637%0.367SS*.Hα-helixtrans-60.9-45.3176.6-68.9165.4000109.9L120 E121 T127 R128L120-I124 VanDerWaalsContact O-CG1 3.28Å; L120-I124 WeakPolarHBondContact O-CG1 3.29Å; L120-I124 PolarHBondContact O-N 3.38Å; E121-I124 PolarHBondContact O-N 3.1Å; I124-T127 WeakPolarHBondContact O-CB 3.28Å; I124-T127 PolarHBondContact O-N 3.18Å; I124-R128 WeakPolarHBondContact O-CB 3.27Å; I124-R128 PolarHBondContact O-N 3.48Å
125E93.7Very high92Very high67 Ų6770 Ų7031%0.31338%0.379SS..Hα-helixtrans-66.7-41.3179.3-179.354.6-156.100112.2E121 L123 T127 R128 Q129E121-E125 WeakPolarHBondContact O-CB 3.25Å; E121-E125 PolarHBondContact O-N 3.46Å; L123-E125 VanDerWaalsContact C-N 3.34Å; E125-T127 VanDerWaalsContact C-N 3.3Å; E125-T127 PolarHBondContact O-N 3.37Å; E125-R128 PolarHBondContact O-N 3.18Å; E125-R128 IonicContact OE1-CZ 3.44Å; E125-R128 IonicContact OE1-NE 3.41Å; E125-R128 PolarHBondContact OE1-NE 3.27Å; E125-R128 IonicContact OE1-NH2 2.68Å; E125-R128 PolarHBondContact OE1-NH2 2.94Å; E125-R128 IonicContact OE2-CZ 3.59Å; E125-R128 IonicContact OE2-NE 2.79Å; E125-R128 PolarHBondContact OE2-NE 3.06Å; E125-R128 IonicContact OE2-NH2 3.54Å; E125-Q129 WeakPolarHBondContact O-CG 3.47Å; E125-Q129 PolarHBondContact O-N 2.71Å; E125-Q129 PolarHBondContact OE1-NE2 2.92Å
126N92.3Very high92Very high35 Ų3572.2 Ų72.219%0.18739%0.391CS..Hα-helixtrans-62.5-37.8173.2-79.2-45.8000112.1A122 L123 Q129 L130 K148 I152A122-N126 WeakPolarHBondContact O-CB 3.4Å; A122-N126 VanDerWaalsContact O-CG 3.29Å; A122-N126 PolarHBondContact O-N 3.14Å; A122-N126 PolarHBondContact O-ND2 3.44Å; L123-N126 PolarHBondContact O-N 3.44Å; N126-Q129 PolarHBondContact O-N 2.67Å; N126-L130 WeakPolarHBondContact O-CB 3.47Å; N126-L130 PolarHBondContact O-N 3.08Å; N126-K148 PolarHBondContact OD1-NZ 2.71Å; N126-I152 HydrophobicContact CB-CG1 4.1Å
127T93.3Very high91.9Very high58 Ų5875.3 Ų75.336%0.35640%0.403SS..Hα-helixtrans-66.6-44.1175.6-55.60000111L123 I124 E125 Q129 L130 C131L123-T127 WeakPolarHBondContact O-CB 3.24Å; L123-T127 PolarHBondContact O-N 2.94Å; L123-T127 PolarHBondContact O-OG1 3.24Å; I124-T127 WeakPolarHBondContact O-CB 3.28Å; I124-T127 PolarHBondContact O-N 3.18Å; E125-T127 VanDerWaalsContact C-N 3.3Å; E125-T127 PolarHBondContact O-N 3.37Å; T127-Q129 PolarHBondContact O-N 3.38Å; T127-L130 WeakPolarHBondContact O-CB 3.47Å; T127-L130 PolarHBondContact O-N 2.93Å; T127-C131 PolarHBondContact O-N 2.97Å; T127-C131 PolarHBondContact O-SG 2.9Å; T127-C131 VanDerWaalsContact O-SG 3.34Å
128R93.3Very high91.7Very high116 Ų11676.2 Ų76.244%0.43841%0.407SS..Hα-helixtrans-59.5-45.3175.3-169.1-168.271.377.11.9111.6I124 E125 C131 M132I124-R128 WeakPolarHBondContact O-CB 3.27Å; I124-R128 PolarHBondContact O-N 3.48Å; E125-R128 PolarHBondContact O-N 3.18Å; E125-R128 IonicContact OE1-CZ 3.44Å; E125-R128 IonicContact OE1-NE 3.41Å; E125-R128 PolarHBondContact OE1-NE 3.27Å; E125-R128 IonicContact OE1-NH2 2.68Å; E125-R128 PolarHBondContact OE1-NH2 2.94Å; E125-R128 IonicContact OE2-CZ 3.59Å; E125-R128 IonicContact OE2-NE 2.79Å; E125-R128 PolarHBondContact OE2-NE 3.06Å; E125-R128 IonicContact OE2-NH2 3.54Å; R128-C131 PolarHBondContact O-N 3.16Å; R128-M132 PolarHBondContact NH1-SD 2.83Å; R128-M132 WeakPolarHBondContact O-CG 3.48Å; R128-M132 PolarHBondContact O-N 3.38Å
129Q90.9Very high91.4Very high56 Ų5675.2 Ų75.226%0.26242%0.419SS..Hα-helixtrans-64.7-38.3176.6-69.6178.723.100112.3E125 N126 T127 C131 M132 V133 K148E125-Q129 WeakPolarHBondContact O-CG 3.47Å; E125-Q129 PolarHBondContact O-N 2.71Å; E125-Q129 PolarHBondContact OE1-NE2 2.92Å; N126-Q129 PolarHBondContact O-N 2.67Å; T127-Q129 PolarHBondContact O-N 3.38Å; Q129-C131 VanDerWaalsContact C-N 3.35Å; Q129-M132 HydrophobicContact CB-CE 4.21Å; Q129-M132 HydrophobicContact CG-CE 3.78Å; Q129-M132 PolarHBondContact O-N 3.5Å; Q129-V133 WeakPolarHBondContact O-CG2 3.49Å; Q129-V133 PolarHBondContact O-N 3.4Å; Q129-K148 HydrophobicContact CB-CD 4.3Å
130L91.6Very high91.2Very high33 Ų3378.3 Ų78.317%0.17344%0.441CS..Hα-helixtrans-59.4-46.3172.1-176.974.5000111N126 T127 M132 V133 A134 L145 K148 L149 I152N126-L130 WeakPolarHBondContact O-CB 3.47Å; N126-L130 PolarHBondContact O-N 3.08Å; T127-L130 WeakPolarHBondContact O-CB 3.47Å; T127-L130 PolarHBondContact O-N 2.93Å; L130-M132 VanDerWaalsContact C-N 3.34Å; L130-M132 PolarHBondContact O-N 2.85Å; L130-V133 PolarHBondContact O-N 3.06Å; L130-A134 VanDerWaalsContact O-CB 3.28Å; L130-A134 WeakPolarHBondContact O-CB 3.44Å; L130-A134 PolarHBondContact O-N 3.38Å; L130-L145 HydrophobicContact CD1-CD1 3.44Å; L130-L145 VanDerWaalsContact CD1-CD1 3.44Å; L130-L145 HydrophobicContact CD1-CG 4.22Å; L130-K148 HydrophobicContact CB-CB 4.37Å; L130-K148 HydrophobicContact CD1-CB 3.94Å; L130-L149 HydrophobicContact CD1-CD2 4.16Å; L130-L149 HydrophobicContact CD1-CG 4.1Å; L130-L149 HydrophobicContact CD2-CD2 4.05Å; L130-I152 HydrophobicContact CB-CD1 4.01Å; L130-I152 HydrophobicContact CD2-CD1 3.55Å; L130-I152 HydrophobicContact CG-CD1 4.3Å
131C91.2Very high90.9Very high71 Ų7175.6 Ų75.648%0.4843%0.428SS..Hα-helixtrans-61.5-38.8178-68.10000112.8T127 R128 Q129 A134 S135T127-C131 PolarHBondContact O-N 2.97Å; T127-C131 PolarHBondContact O-SG 2.9Å; T127-C131 VanDerWaalsContact O-SG 3.34Å; R128-C131 PolarHBondContact O-N 3.16Å; Q129-C131 VanDerWaalsContact C-N 3.35Å; C131-A134 PolarHBondContact O-N 3.39Å; C131-S135 WeakPolarHBondContact O-CB 3.45Å; C131-S135 PolarHBondContact O-N 3.23Å; C131-S135 PolarHBondContact O-OG 3.39Å
132M89.8Confident90.6Very high89 Ų8973.7 Ų73.744%0.43842%0.419SS..Hα-helixtrans-63.4-49.2175-69-170.7-63.700111.6R128 Q129 L130 A134 S135 D136R128-M132 PolarHBondContact NH1-SD 2.83Å; R128-M132 WeakPolarHBondContact O-CG 3.48Å; R128-M132 PolarHBondContact O-N 3.38Å; Q129-M132 HydrophobicContact CB-CE 4.21Å; Q129-M132 HydrophobicContact CG-CE 3.78Å; Q129-M132 PolarHBondContact O-N 3.5Å; L130-M132 VanDerWaalsContact C-N 3.34Å; L130-M132 PolarHBondContact O-N 2.85Å; M132-A134 VanDerWaalsContact C-N 3.28Å; M132-A134 PolarHBondContact O-N 3.07Å; M132-S135 PolarHBondContact O-N 3.22Å; M132-D136 PolarHBondContact O-N 2.94Å; M132-D136 VanDerWaalsContact O-N 3.13Å
133V90.3Very high90.4Very high28 Ų2874.8 Ų74.817%0.1742%0.424CS..Hα-helixtrans-64.5-33.8179.4175.80000111.8Q129 L130 D136 F137 V144 L145Q129-V133 WeakPolarHBondContact O-CG2 3.49Å; Q129-V133 PolarHBondContact O-N 3.4Å; L130-V133 PolarHBondContact O-N 3.06Å; V133-D136 CarbonylContact O-C 3.6Å; V133-F137 WeakPolarHBondContact O-CA 3.4Å; V133-F137 PolarHBondContact O-N 3.22Å; V133-V144 HydrophobicContact CG2-CG1 4.2Å; V133-L145 HydrophobicContact CG1-CB 4.2Å; V133-L145 HydrophobicContact CG1-CD1 4.01Å
134A90.2Very high90.2Very high63 Ų6376.4 Ų76.452%0.52143%0.434SS..Hα-helixtrans-73-30.9176.700000112.9L130 C131 M132L130-A134 VanDerWaalsContact O-CB 3.28Å; L130-A134 WeakPolarHBondContact O-CB 3.44Å; L130-A134 PolarHBondContact O-N 3.38Å; C131-A134 PolarHBondContact O-N 3.39Å; M132-A134 VanDerWaalsContact C-N 3.28Å; M132-A134 PolarHBondContact O-N 3.07Å
135S91.1Very high90Very high94 Ų9472.2 Ų72.266%0.65741%0.413SS*.Hα-helixtrans-73.7-42.3177.9-57.50000111.7C131 M132C131-S135 WeakPolarHBondContact O-CB 3.45Å; C131-S135 PolarHBondContact O-N 3.23Å; C131-S135 PolarHBondContact O-OG 3.39Å; M132-S135 PolarHBondContact O-N 3.22Å
136D90Very high89.9Confident137 Ų13772.5 Ų72.573%0.73342%0.417SS*.THydrogen-bonded Turntrans-112.960.4179.6-69.6-35.4000111.5M132 V133 Q138M132-D136 PolarHBondContact O-N 2.94Å; M132-D136 VanDerWaalsContact O-N 3.13Å; V133-D136 CarbonylContact O-C 3.6Å; D136-Q138 PolarHBondContact O-N 3.13Å
137F88.2Confident89.9Confident105 Ų10576.8 Ų76.846%0.46144%0.436SS..  trans-71.2128.8-174.2-175.1-99000112.8V133 Q142 L145V133-F137 WeakPolarHBondContact O-CA 3.4Å; V133-F137 PolarHBondContact O-N 3.22Å; F137-Q142 HydrophobicContact CE2-CB 4.45Å; F137-Q142 VanDerWaalsContact CE2-OE1 3.25Å; F137-Q142 HydrophobicContact CZ-CB 4.25Å; F137-L145 HydrophobicContact CE2-CD2 4.26Å
138Q87.6Confident89.8Confident129 Ų12975.8 Ų75.860%0.60343%0.427SS*.  trans-125.3154.6174-64.8-177-1500110.5D136 S140 S141D136-Q138 PolarHBondContact O-N 3.13Å; Q138-S140 PolarHBondContact O-N 3.31Å; Q138-S140 VanDerWaalsContact O-N 3.13Å; Q138-S141 PolarHBondContact N-OG 3.36Å; Q138-S141 PolarHBondContact O-N 3.09Å; Q138-S141 PolarHBondContact O-OG 3.42Å
139A86.9Confident89.7Confident98 Ų9874 Ų7481%0.8143%0.425SS*.G310 helixtrans-58.6-30.4178.900000113.2S141A139-S141 VanDerWaalsContact C-N 3.34Å
140S86.3Confident89.9Confident87 Ų8777.3 Ų77.361%0.60844%0.441SS*.G310 helixtrans-71.6-22.5174.350.50000113.8Q138Q138-S140 PolarHBondContact O-N 3.31Å; Q138-S140 VanDerWaalsContact O-N 3.13Å
141S86.7Confident90Very high17 Ų1777 Ų7712%0.11944%0.443CS..G310 helixtrans-88.6-4-17568.90000114.1Q138 A139 S143 V144 L145Q138-S141 PolarHBondContact N-OG 3.36Å; Q138-S141 PolarHBondContact O-N 3.09Å; Q138-S141 PolarHBondContact O-OG 3.42Å; A139-S141 VanDerWaalsContact C-N 3.34Å; S141-S143 VanDerWaalsContact C-N 3.3Å; S141-S143 PolarHBondContact O-N 3.36Å; S141-V144 PolarHBondContact O-N 3.45Å; S141-L145 PolarHBondContact O-N 2.87Å
142Q87.2Confident90.1Very high77 Ų7775 Ų7536%0.3643%0.427SS..Hα-helixtrans-60-37.3179-175.761.935.600112.9F137 L145 N146F137-Q142 HydrophobicContact CE2-CB 4.45Å; F137-Q142 VanDerWaalsContact CE2-OE1 3.25Å; F137-Q142 HydrophobicContact CZ-CB 4.25Å; Q142-L145 PolarHBondContact O-N 3.02Å; Q142-N146 PolarHBondContact NE2-OD1 2.95Å; Q142-N146 PolarHBondContact O-N 3.16Å; Q142-N146 PolarHBondContact O-ND2 3.13Å
143S89.8Confident90.3Very high70 Ų7074.2 Ų74.249%0.4943%0.428SS..Hα-helixtrans-64.2-42.917758.50000111.3S141 N146 Q147S141-S143 VanDerWaalsContact C-N 3.3Å; S141-S143 PolarHBondContact O-N 3.36Å; S143-N146 PolarHBondContact O-N 2.91Å; S143-Q147 VanDerWaalsContact O-CG 3.3Å; S143-Q147 WeakPolarHBondContact O-CG 3.36Å; S143-Q147 PolarHBondContact O-N 2.73Å
144V89.7Confident90.5Very high57 Ų5777.5 Ų77.535%0.34544%0.444SS..Hα-helixtrans-65.1-41.9176.7-176.80000110.6V133 S141 N146 Q147 K148V133-V144 HydrophobicContact CG2-CG1 4.2Å; S141-V144 PolarHBondContact O-N 3.45Å; V144-N146 PolarHBondContact O-N 3.06Å; V144-Q147 WeakPolarHBondContact O-CB 3.48Å; V144-Q147 PolarHBondContact O-N 3.33Å; V144-K148 HydrophobicContact CG1-CG 4.47Å; V144-K148 WeakPolarHBondContact O-CG 3.36Å; V144-K148 PolarHBondContact O-N 3.47Å
145L90.3Very high90.6Very high30 Ų3075.3 Ų75.316%0.15743%0.428CS..Hα-helixtrans-57.9-49.6175.6-171.480.3000111.3L130 V133 F137 S141 Q142 Q147 K148 L149L130-L145 HydrophobicContact CD1-CD1 3.44Å; L130-L145 VanDerWaalsContact CD1-CD1 3.44Å; L130-L145 HydrophobicContact CD1-CG 4.22Å; V133-L145 HydrophobicContact CG1-CB 4.2Å; V133-L145 HydrophobicContact CG1-CD1 4.01Å; F137-L145 HydrophobicContact CE2-CD2 4.26Å; S141-L145 PolarHBondContact O-N 2.87Å; Q142-L145 PolarHBondContact O-N 3.02Å; L145-Q147 VanDerWaalsContact C-N 3.33Å; L145-Q147 PolarHBondContact O-N 2.65Å; L145-K148 PolarHBondContact O-N 3.44Å; L145-K148 VanDerWaalsContact O-N 3.12Å; L145-L149 HydrophobicContact CG-CD1 4.32Å; L145-L149 WeakPolarHBondContact O-CG 3.37Å; L145-L149 PolarHBondContact O-N 3.42Å
146N91Very high90.7Very high73 Ų7375.5 Ų75.539%0.3942%0.421SS..Hα-helixtrans-62-40.9178.2-73-21.1000111.9Q142 S143 V144 K148 L149 Q150Q142-N146 PolarHBondContact NE2-OD1 2.95Å; Q142-N146 PolarHBondContact O-N 3.16Å; Q142-N146 PolarHBondContact O-ND2 3.13Å; S143-N146 PolarHBondContact O-N 2.91Å; V144-N146 PolarHBondContact O-N 3.06Å; N146-K148 VanDerWaalsContact C-N 3.31Å; N146-K148 PolarHBondContact O-N 3.07Å; N146-L149 PolarHBondContact O-N 3.25Å; N146-Q150 WeakPolarHBondContact O-CG 3.34Å; N146-Q150 PolarHBondContact O-N 3.14Å
147Q92.1Very high90.8Very high124 Ų12475 Ų7558%0.57941%0.414SS*.Hα-helixtrans-60.6-40.9173.7-74174.11.100111.6S143 V144 L145 Q150 A151S143-Q147 VanDerWaalsContact O-CG 3.3Å; S143-Q147 WeakPolarHBondContact O-CG 3.36Å; S143-Q147 PolarHBondContact O-N 2.73Å; V144-Q147 WeakPolarHBondContact O-CB 3.48Å; V144-Q147 PolarHBondContact O-N 3.33Å; L145-Q147 VanDerWaalsContact C-N 3.33Å; L145-Q147 PolarHBondContact O-N 2.65Å; Q147-Q150 PolarHBondContact O-N 3.35Å; Q147-A151 WeakPolarHBondContact O-CB 3.38Å; Q147-A151 PolarHBondContact O-N 3.44Å
148K91.4Very high90.9Very high38 Ų3872.9 Ų72.917%0.16541%0.408CS..Hα-helixtrans-71.5-37.8178.4-68.7-63.8173-171.40113.3N126 Q129 L130 V144 L145 N146 Q150 A151 I152N126-K148 PolarHBondContact OD1-NZ 2.71Å; Q129-K148 HydrophobicContact CB-CD 4.3Å; L130-K148 HydrophobicContact CB-CB 4.37Å; L130-K148 HydrophobicContact CD1-CB 3.94Å; V144-K148 HydrophobicContact CG1-CG 4.47Å; V144-K148 WeakPolarHBondContact O-CG 3.36Å; V144-K148 PolarHBondContact O-N 3.47Å; L145-K148 PolarHBondContact O-N 3.44Å; L145-K148 VanDerWaalsContact O-N 3.12Å; N146-K148 VanDerWaalsContact C-N 3.31Å; N146-K148 PolarHBondContact O-N 3.07Å; K148-Q150 VanDerWaalsContact C-N 3.34Å; K148-A151 PolarHBondContact O-N 3.26Å; K148-I152 WeakPolarHBondContact O-CG1 3.32Å; K148-I152 PolarHBondContact O-N 3.46Å
149L92.4Very high91Very high79 Ų7968.3 Ų68.341%0.41439%0.387SS..Hα-helixtrans-61.4-43.1171.9-73.7170.4000111.7L130 L145 N146 I152 T153L130-L149 HydrophobicContact CD1-CD2 4.16Å; L130-L149 HydrophobicContact CD1-CG 4.1Å; L130-L149 HydrophobicContact CD2-CD2 4.05Å; L145-L149 HydrophobicContact CG-CD1 4.32Å; L145-L149 WeakPolarHBondContact O-CG 3.37Å; L145-L149 PolarHBondContact O-N 3.42Å; N146-L149 PolarHBondContact O-N 3.25Å; L149-I152 PolarHBondContact O-N 2.83Å; L149-T153 WeakPolarHBondContact O-CB 3.41Å; L149-T153 PolarHBondContact O-N 3.32Å; L149-T153 PolarHBondContact O-OG1 3.5Å
150Q94.1Very high91.2Very high124 Ų12469 Ų6958%0.57938%0.377SS*.Hα-helixtrans-64.9-42174.2-72.4177.3-1.300111.8N146 Q147 K148 I152 T153 N154N146-Q150 WeakPolarHBondContact O-CG 3.34Å; N146-Q150 PolarHBondContact O-N 3.14Å; Q147-Q150 PolarHBondContact O-N 3.35Å; K148-Q150 VanDerWaalsContact C-N 3.34Å; Q150-I152 VanDerWaalsContact C-N 3.35Å; Q150-I152 PolarHBondContact O-N 3.13Å; Q150-T153 PolarHBondContact O-N 3.34Å; Q150-N154 WeakPolarHBondContact O-CB 3.29Å; Q150-N154 PolarHBondContact O-N 2.93Å; Q150-N154 PolarHBondContact O-ND2 3.3Å
151A92.9Very high91.4Very high28 Ų2868.1 Ų68.123%0.23137%0.371CS..Hα-helixtrans-61-41.5176.800000112.5Q147 K148 G155Q147-A151 WeakPolarHBondContact O-CB 3.38Å; Q147-A151 PolarHBondContact O-N 3.44Å; K148-A151 PolarHBondContact O-N 3.26Å; A151-G155 PolarHBondContact O-N 2.87Å
152I93.6Very high91.4Very high27 Ų2769.1 Ų69.114%0.13837%0.373CS..Hα-helixtrans-66.5-43.1175.8-69.7164.2000110.8L123 N126 L130 K148 L149 Q150 N154 G155 L156L123-I152 HydrophobicContact CD1-CB 4.37Å; L123-I152 HydrophobicContact CD1-CG1 4.36Å; L123-I152 HydrophobicContact CD1-CG2 4.12Å; N126-I152 HydrophobicContact CB-CG1 4.1Å; L130-I152 HydrophobicContact CB-CD1 4.01Å; L130-I152 HydrophobicContact CD2-CD1 3.55Å; L130-I152 HydrophobicContact CG-CD1 4.3Å; K148-I152 WeakPolarHBondContact O-CG1 3.32Å; K148-I152 PolarHBondContact O-N 3.46Å; L149-I152 PolarHBondContact O-N 2.83Å; Q150-I152 VanDerWaalsContact C-N 3.35Å; Q150-I152 PolarHBondContact O-N 3.13Å; I152-N154 PolarHBondContact O-N 2.85Å; I152-G155 PolarHBondContact O-N 3.03Å; I152-L156 HydrophobicContact CG2-CD1 4.17Å; I152-L156 WeakPolarHBondContact O-CG 3.38Å; I152-L156 PolarHBondContact O-N 3.03Å
153T94.2Very high91.3Very high74 Ų7472.1 Ų72.145%0.45439%0.385SS..Hα-helixtrans-61.9-46.1178.3-55.50000111.1L149 Q150 G155 L156 Q157L149-T153 WeakPolarHBondContact O-CB 3.41Å; L149-T153 PolarHBondContact O-N 3.32Å; L149-T153 PolarHBondContact O-OG1 3.5Å; Q150-T153 PolarHBondContact O-N 3.34Å; T153-G155 VanDerWaalsContact C-N 3.34Å; T153-L156 PolarHBondContact O-N 2.84Å; T153-Q157 WeakPolarHBondContact O-CG 3.3Å; T153-Q157 PolarHBondContact O-N 3.46Å
154N93.8Very high91Very high97 Ų9772.2 Ų72.252%0.51939%0.386SS..Hα-helixtrans-64.6-38.8175.8-67-13000111.4Q150 I152 Q157 D158Q150-N154 WeakPolarHBondContact O-CB 3.29Å; Q150-N154 PolarHBondContact O-N 2.93Å; Q150-N154 PolarHBondContact O-ND2 3.3Å; I152-N154 PolarHBondContact O-N 2.85Å; N154-Q157 PolarHBondContact O-N 3.29Å; N154-D158 VanDerWaalsContact O-CB 3.32Å; N154-D158 WeakPolarHBondContact O-CB 3.44Å; N154-D158 PolarHBondContact O-N 3.49Å
155G93Very high90.8Very high17 Ų1775.8 Ų75.818%0.17540%0.397CS..Hα-helixtrans-63.4-41.7175.900000112.9A151 I152 T153 D158 L159A151-G155 PolarHBondContact O-N 2.87Å; I152-G155 PolarHBondContact O-N 3.03Å; T153-G155 VanDerWaalsContact C-N 3.34Å; G155-D158 PolarHBondContact O-N 3.06Å; G155-L159 WeakPolarHBondContact O-CG 3.48Å; G155-L159 PolarHBondContact O-N 3.38Å
156L93.1Very high90.5Very high98 Ų9875.8 Ų75.851%0.51340%0.396SS..Hα-helixtrans-66.4-40.1175.3-70.9172.5000112.2L123 I152 T153 L159 D160L123-L156 HydrophobicContact CD2-CD2 3.94Å; I152-L156 HydrophobicContact CG2-CD1 4.17Å; I152-L156 WeakPolarHBondContact O-CG 3.38Å; I152-L156 PolarHBondContact O-N 3.03Å; T153-L156 PolarHBondContact O-N 2.84Å; L156-L159 PolarHBondContact O-N 3.39Å; L156-D160 PolarHBondContact O-N 3.17Å
157Q93.1Very high90Very high126 Ų12679.4 Ų79.459%0.58941%0.41SS*.Hα-helixtrans-64.3-40.2174.4-73.2178.8-9.700112T153 N154 D160 S161T153-Q157 WeakPolarHBondContact O-CG 3.3Å; T153-Q157 PolarHBondContact O-N 3.46Å; N154-Q157 PolarHBondContact O-N 3.29Å; Q157-D160 PolarHBondContact O-N 2.75Å; Q157-S161 PolarHBondContact O-N 3.48Å
158D90.5Very high89.6Confident60 Ų6078.2 Ų78.232%0.32141%0.408SS..Hα-helixtrans-64.7-42.9176.3175.759.6000111.7N154 G155 D160 S161 K162N154-D158 VanDerWaalsContact O-CB 3.32Å; N154-D158 WeakPolarHBondContact O-CB 3.44Å; N154-D158 PolarHBondContact O-N 3.49Å; G155-D158 PolarHBondContact O-N 3.06Å; D158-D160 PolarHBondContact O-N 2.99Å; D158-S161 PolarHBondContact O-N 3.03Å; D158-S161 PolarHBondContact O-OG 3.19Å; D158-K162 VanDerWaalsContact CG-NZ 3.27Å; D158-K162 WeakPolarHBondContact O-CG 3.49Å; D158-K162 PolarHBondContact O-N 3.33Å; D158-K162 VanDerWaalsContact O-N 3.07Å; D158-K162 WeakPolarHBondContact OD1-CE 3.43Å; D158-K162 IonicContact OD1-NZ 2.76Å; D158-K162 PolarHBondContact OD1-NZ 2.99Å; D158-K162 VanDerWaalsContact OD1-NZ 3.14Å; D158-K162 WeakPolarHBondContact OD2-CE 3.49Å; D158-K162 IonicContact OD2-NZ 3.14Å; D158-K162 PolarHBondContact OD2-NZ 2.74Å
159L89.9Confident89.3Confident34 Ų3479.4 Ų79.418%0.17842%0.418CS..Hα-helixtrans-60.4-42.5173.6-73.5178.5000112.6L116 L120 L123 G155 L156 S161 K162 K163L116-L159 HydrophobicContact CD1-CD2 3.76Å; L120-L159 HydrophobicContact CD2-CD1 3.83Å; L120-L159 HydrophobicContact CD2-CD2 3.85Å; L120-L159 HydrophobicContact CG-CD2 4.09Å; L123-L159 HydrophobicContact CD2-CD1 3.46Å; L123-L159 VanDerWaalsContact CD2-CD1 3.46Å; G155-L159 WeakPolarHBondContact O-CG 3.48Å; G155-L159 PolarHBondContact O-N 3.38Å; L156-L159 PolarHBondContact O-N 3.39Å; L159-S161 VanDerWaalsContact C-N 3.34Å; L159-S161 PolarHBondContact O-N 3.43Å; L159-K162 PolarHBondContact O-N 2.84Å; L159-K163 PolarHBondContact O-N 3.21Å; L159-K163 VanDerWaalsContact O-N 3.09Å
160D90.2Very high88.9Confident112 Ų11284.9 Ų84.960%0.59944%0.439SS*.Hα-helixtrans-64-40.3177.4-168.656.5000111.5L156 Q157 D158 K162 K163L156-D160 PolarHBondContact O-N 3.17Å; Q157-D160 PolarHBondContact O-N 2.75Å; D158-D160 PolarHBondContact O-N 2.99Å; D160-K162 VanDerWaalsContact C-N 3.3Å; D160-K162 PolarHBondContact O-N 2.69Å; D160-K163 VanDerWaalsContact O-CB 3.28Å; D160-K163 WeakPolarHBondContact O-CB 3.44Å; D160-K163 PolarHBondContact O-N 3.5Å
161S89.7Confident88.6Confident69 Ų6983.8 Ų83.848%0.48344%0.44SS..Hα-helixtrans-62.6-36.5175.781.90000112.9Q157 D158 L159 S164Q157-S161 PolarHBondContact O-N 3.48Å; D158-S161 PolarHBondContact O-N 3.03Å; D158-S161 PolarHBondContact O-OG 3.19Å; L159-S161 VanDerWaalsContact C-N 3.34Å; L159-S161 PolarHBondContact O-N 3.43Å; S161-S164 PolarHBondContact O-OG 3.25Å
162K86.5Confident88.4Confident37 Ų3785.2 Ų85.216%0.16145%0.447CS..Hα-helixtrans-76.5-25.2-179-74.9169.8178.2163.20113.2S119 D158 L159 D160 S164 K165 F166S119-K162 PolarHBondContact OG-NZ 2.86Å; D158-K162 VanDerWaalsContact CG-NZ 3.27Å; D158-K162 WeakPolarHBondContact O-CG 3.49Å; D158-K162 PolarHBondContact O-N 3.33Å; D158-K162 VanDerWaalsContact O-N 3.07Å; D158-K162 WeakPolarHBondContact OD1-CE 3.43Å; D158-K162 IonicContact OD1-NZ 2.76Å; D158-K162 PolarHBondContact OD1-NZ 2.99Å; D158-K162 VanDerWaalsContact OD1-NZ 3.14Å; D158-K162 WeakPolarHBondContact OD2-CE 3.49Å; D158-K162 IonicContact OD2-NZ 3.14Å; D158-K162 PolarHBondContact OD2-NZ 2.74Å; L159-K162 PolarHBondContact O-N 2.84Å; D160-K162 VanDerWaalsContact C-N 3.3Å; D160-K162 PolarHBondContact O-N 2.69Å; K162-S164 PolarHBondContact O-N 2.9Å; K162-S164 VanDerWaalsContact O-N 3.09Å; K162-K165 WeakPolarHBondContact O-CB 3.19Å; K162-K165 PolarHBondContact O-N 3.03Å; K162-F166 WeakPolarHBondContact O-CD2 3.42Å
163K86.2Confident88.2Confident140 Ų14090.7 Ų90.761%0.60948%0.475SS*.Hα-helixtrans-48.5-38.5178.1-177.1-178.9176.1-179.80113.3L159 D160 K165 F166L159-K163 PolarHBondContact O-N 3.21Å; L159-K163 VanDerWaalsContact O-N 3.09Å; D160-K163 VanDerWaalsContact O-CB 3.28Å; D160-K163 WeakPolarHBondContact O-CB 3.44Å; D160-K163 PolarHBondContact O-N 3.5Å; K163-K165 PolarHBondContact O-N 3.06Å; K163-K165 VanDerWaalsContact O-N 3.15Å; K163-F166 PolarHBondContact O-N 3.35Å
164S83.1Confident87.8Confident73 Ų7392.6 Ų92.651%0.5148%0.479SS..G310 helixtrans-59.2-23.3179.262.40000114.3S161 K162 F166 H167S161-S164 PolarHBondContact O-OG 3.25Å; K162-S164 PolarHBondContact O-N 2.9Å; K162-S164 VanDerWaalsContact O-N 3.09Å; S164-F166 VanDerWaalsContact C-N 3.32Å; S164-F166 PolarHBondContact O-N 3.4Å; S164-H167 PolarHBondContact O-CD2 2.91Å
165K84.5Confident87.7Confident131 Ų13189.6 Ų89.657%0.5746%0.462SS*.G310 helixtrans-82.2-5.8-177.7-60.7-178.1179.4178.50114.3R112 K162 K163R112-K165 PolarHBondContact NH1-O 3.02Å; K162-K165 WeakPolarHBondContact O-CB 3.19Å; K162-K165 PolarHBondContact O-N 3.03Å; K163-K165 PolarHBondContact O-N 3.06Å; K163-K165 VanDerWaalsContact O-N 3.15Å
166F85.3Confident87.6Confident31 Ų3193.1 Ų93.114%0.13648%0.477CS..G310 helixtrans-12117.5-171.4-61.1-81.6000114R112 F113 L116 K162 K163 S164 D168 V169R112-F166 HydrophobicContact CB-CE1 4.41Å; R112-F166 HydrophobicContact CB-CZ 4.37Å; R112-F166 HydrophobicContact CG-CE1 4.17Å; R112-F166 WeakPolarHBondContact O-CZ 3.42Å; F113-F166 HydrophobicContact CD1-CD1 4.09Å; F113-F166 AromaticContact CD1-CE1 3.52Å; F113-F166 HydrophobicContact CD1-CE1 3.52Å; F113-F166 HydrophobicContact CD1-CZ 4.47Å; F113-F166 AromaticContact CE1-CD1 3.62Å; F113-F166 HydrophobicContact CE1-CD1 3.62Å; F113-F166 AromaticContact CE1-CE1 3.53Å; F113-F166 HydrophobicContact CE1-CE1 3.53Å; F113-F166 HydrophobicContact CG-CE1 4.26Å; F113-F166 HydrophobicContact CZ-CD1 4.27Å; F113-F166 HydrophobicContact CZ-CE1 4.28Å; L116-F166 HydrophobicContact CB-CE2 4.22Å; L116-F166 HydrophobicContact CB-CZ 3.83Å; L116-F166 HydrophobicContact CD1-CE2 4.41Å; L116-F166 HydrophobicContact CD2-CD2 4.35Å; L116-F166 HydrophobicContact CD2-CE1 4.25Å; L116-F166 HydrophobicContact CD2-CE2 3.81Å; L116-F166 HydrophobicContact CD2-CZ 3.75Å; L116-F166 HydrophobicContact CG-CE2 4.37Å; L116-F166 HydrophobicContact CG-CZ 4.33Å; K162-F166 WeakPolarHBondContact O-CD2 3.42Å; K163-F166 PolarHBondContact O-N 3.35Å; S164-F166 VanDerWaalsContact C-N 3.32Å; S164-F166 PolarHBondContact O-N 3.4Å; F166-D168 WeakPolarHBondContact CA-OD1 3.45Å; F166-D168 PolarHBondContact O-N 3.46Å; F166-D168 VanDerWaalsContact O-N 3.12Å; F166-V169 HydrophobicContact CD1-CG2 4.47Å; F166-V169 PolarHBondContact O-N 3.23Å
167H79.4Confident87.4Confident149 Ų14994.8 Ų94.869%0.6948%0.482SS*.THydrogen-bonded Turntrans-61.6-18.5177.6-73-61.6000114.1S164 V169S164-H167 PolarHBondContact O-CD2 2.91Å; H167-V169 VanDerWaalsContact C-N 3.32Å
168D84.6Confident87.2Confident99 Ų9991.1 Ų91.153%0.52946%0.463SS..THydrogen-bonded Turntrans-75.5-18.617561.5-51.8000113.4R112 F166R112-D168 IonicContact CZ-OD1 2.65Å; R112-D168 IonicContact CZ-OD2 3.14Å; R112-D168 IonicContact NH1-OD1 3.83Å; R112-D168 PolarHBondContact NH1-OD1 3.46Å; R112-D168 IonicContact NH1-OD2 3.22Å; R112-D168 PolarHBondContact NH1-OD2 3.44Å; R112-D168 IonicContact NH2-OD1 3.08Å; R112-D168 IonicContact NH2-OD2 2.73Å; R112-D168 PolarHBondContact NH2-OD2 2.85Å; F166-D168 WeakPolarHBondContact CA-OD1 3.45Å; F166-D168 PolarHBondContact O-N 3.46Å; F166-D168 VanDerWaalsContact O-N 3.12Å
169V85.5Confident87.3Confident63 Ų6392 Ų9238%0.38247%0.47SS..  trans-93.9108.9-178.1-174.20000109.9F113 F166 H167F113-V169 HydrophobicContact CE1-CG2 4.11Å; F113-V169 HydrophobicContact CZ-CG2 3.78Å; F166-V169 HydrophobicContact CD1-CG2 4.47Å; F166-V169 PolarHBondContact O-N 3.23Å; H167-V169 VanDerWaalsContact C-N 3.32Å
170K84.6Confident87.3Confident194 Ų19496.3 Ų96.384%0.84349%0.494SS*.PPolyproline II helixtrans-94.2119.8174.1-64.9-176.9-178.1-179.60110.2
171V86.2Confident87.5Confident101 Ų10194.8 Ų94.861%0.61249%0.492SS*.PPolyproline II helixtrans-94.9119.9176.3-176.30000109.1L175V171-L175 HydrophobicContact CG1-CB 4.49Å; V171-L175 HydrophobicContact CG1-CD2 4.04Å
172P89.4Confident87.5Confident57 Ų5794.9 Ų94.937%0.3750%0.504SS..PPolyproline II helixtrans-60.5137.2174.6-23.434.6000111.5E174 L175 Y188P172-E174 PolarHBondContact O-N 3.33Å; P172-L175 HydrophobicContact CB-CB 4.44Å; P172-L175 VanDerWaalsContact O-CB 3.25Å; P172-L175 WeakPolarHBondContact O-CB 3.41Å; P172-L175 PolarHBondContact O-N 2.94Å; P172-Y188 HydrophobicContact CB-CE1 4.25Å; P172-Y188 HydrophobicContact CG-CE1 4.12Å
173I88.6Confident87.7Confident143 Ų14398.7 Ų98.773%0.73352%0.52SS*.Hα-helixtrans-62.7-36.2-179.9-58.5170.3000110.7L175 L176I173-L175 PolarHBondContact O-N 3.09Å; I173-L176 VanDerWaalsContact O-CB 3.23Å; I173-L176 WeakPolarHBondContact O-CB 3.38Å; I173-L176 PolarHBondContact O-N 3.36Å
174E87.5Confident87.9Confident113 Ų11396.5 Ų96.553%0.52852%0.515SS..Hα-helixtrans-57.7-30.1175.1-61.2170.4171.400112.5P172 L176 E177 Y178 Y188P172-E174 PolarHBondContact O-N 3.33Å; E174-L176 VanDerWaalsContact C-N 3.29Å; E174-L176 PolarHBondContact O-N 3.26Å; E174-E177 PolarHBondContact O-N 2.98Å; E174-Y178 VanDerWaalsContact O-CD2 3.3Å; E174-Y178 WeakPolarHBondContact O-CD2 3.17Å; E174-Y188 HydrophobicContact CB-CD2 4.44Å; E174-Y188 HydrophobicContact CB-CE2 3.62Å; E174-Y188 WeakPolarHBondContact OE2-CE2 2.94Å; E174-Y188 PolarHBondContact OE2-OH 3.09Å
175L91.1Very high88.2Confident34 Ų3495.4 Ų95.418%0.17851%0.506CS..Hα-helixtrans-68.2-31.3177.2-173.464.4000111.7V171 P172 I173 E177 Y178 V179 P185 Y188V171-L175 HydrophobicContact CG1-CB 4.49Å; V171-L175 HydrophobicContact CG1-CD2 4.04Å; P172-L175 HydrophobicContact CB-CB 4.44Å; P172-L175 VanDerWaalsContact O-CB 3.25Å; P172-L175 WeakPolarHBondContact O-CB 3.41Å; P172-L175 PolarHBondContact O-N 2.94Å; I173-L175 PolarHBondContact O-N 3.09Å; L175-E177 VanDerWaalsContact C-N 3.25Å; L175-E177 PolarHBondContact O-N 3.47Å; L175-Y178 WeakPolarHBondContact O-CB 3.22Å; L175-Y178 PolarHBondContact O-N 3.28Å; L175-Y178 VanDerWaalsContact O-N 3.09Å; L175-V179 PolarHBondContact O-N 2.87Å; L175-P185 HydrophobicContact CD1-CB 3.95Å; L175-Y188 HydrophobicContact CB-CD1 4.36Å; L175-Y188 VanDerWaalsContact CD1-CB 3.5Å; L175-Y188 HydrophobicContact CD1-CD1 3.69Å; L175-Y188 HydrophobicContact CD1-CG 3.7Å
176L89.6Confident88.5Confident92 Ų9295.1 Ų95.148%0.48251%0.507SS..Hα-helixtrans-62.2-36.4-179.8-171.661.8000111.1I173 E174 Y178 V179 D180I173-L176 VanDerWaalsContact O-CB 3.23Å; I173-L176 WeakPolarHBondContact O-CB 3.38Å; I173-L176 PolarHBondContact O-N 3.36Å; E174-L176 VanDerWaalsContact C-N 3.29Å; E174-L176 PolarHBondContact O-N 3.26Å; L176-Y178 VanDerWaalsContact C-N 3.27Å; L176-Y178 PolarHBondContact O-N 3.42Å; L176-V179 PolarHBondContact O-N 2.89Å; L176-V179 VanDerWaalsContact O-N 3.13Å; L176-D180 WeakPolarHBondContact O-CB 3.48Å; L176-D180 PolarHBondContact O-N 3.4Å
177E89.6Confident88.8Confident133 Ų13396.6 Ų96.662%0.62152%0.516SS*.Hα-helixtrans-61.3-34.4175.5-62.5-177.1177.200112.7E174 L175 S181E174-E177 PolarHBondContact O-N 2.98Å; L175-E177 VanDerWaalsContact C-N 3.25Å; L175-E177 PolarHBondContact O-N 3.47Å; E177-S181 VanDerWaalsContact O-CB 3.24Å; E177-S181 WeakPolarHBondContact O-CB 3.34Å; E177-S181 PolarHBondContact O-N 3.16Å; E177-S181 VanDerWaalsContact O-N 3.12Å; E177-S181 PolarHBondContact O-OG 2.95Å
178Y90.2Very high89.4Confident48 Ų4891.1 Ų91.119%0.18849%0.49CS..Hα-helixtrans-68.8-43.1175.3-73.8-106.3000110.8E174 L175 L176 S181 G182 K183 L187 Y188 D191E174-Y178 VanDerWaalsContact O-CD2 3.3Å; E174-Y178 WeakPolarHBondContact O-CD2 3.17Å; L175-Y178 WeakPolarHBondContact O-CB 3.22Å; L175-Y178 PolarHBondContact O-N 3.28Å; L175-Y178 VanDerWaalsContact O-N 3.09Å; L176-Y178 VanDerWaalsContact C-N 3.27Å; L176-Y178 PolarHBondContact O-N 3.42Å; Y178-S181 PolarHBondContact O-N 2.9Å; Y178-G182 PolarHBondContact O-N 2.9Å; Y178-K183 HydrophobicContact CD1-CB 4.13Å; Y178-K183 HydrophobicContact CD1-CD 4.16Å; Y178-K183 WeakPolarHBondContact O-CB 3.25Å; Y178-K183 PolarHBondContact O-N 3.27Å; Y178-L187 HydrophobicContact CD1-CB 4.37Å; Y178-L187 HydrophobicContact CE1-CB 4.25Å; Y178-Y188 HydrophobicContact CD2-CD2 4.1Å; Y178-Y188 HydrophobicContact CD2-CG 4.46Å; Y178-Y188 AromaticContact CE2-CD2 3.64Å; Y178-Y188 HydrophobicContact CE2-CD2 3.64Å; Y178-Y188 HydrophobicContact CE2-CG 4.3Å; Y178-D191 PolarHBondContact OH-OD2 3.46Å
179V90.6Very high89.7Confident78 Ų7889.5 Ų89.547%0.47348%0.483SS..Hα-helixtrans-65.2-47.7179.3177.70000111L175 L176 S181 G182 P185L175-V179 PolarHBondContact O-N 2.87Å; L176-V179 PolarHBondContact O-N 2.89Å; L176-V179 VanDerWaalsContact O-N 3.13Å; V179-S181 VanDerWaalsContact C-N 3.26Å; V179-S181 PolarHBondContact O-N 3.02Å; V179-G182 PolarHBondContact O-N 2.95Å; V179-P185 HydrophobicContact CG2-CG 4.12Å
180D91.7Very high90Very high125 Ų12592.1 Ų92.167%0.66849%0.486SS*.Hα-helixtrans-64.3-32.7179.9-70.4-13.6000111.9L176 G182L176-D180 WeakPolarHBondContact O-CB 3.48Å; L176-D180 PolarHBondContact O-N 3.4Å; D180-G182 PolarHBondContact O-N 2.73Å
181S93Very high90.3Very high80 Ų8084.9 Ų84.956%0.55946%0.457SS*.THydrogen-bonded Turntrans-77.9-1.6173.8-57.80000113.8E177 Y178 V179 K183E177-S181 VanDerWaalsContact O-CB 3.24Å; E177-S181 WeakPolarHBondContact O-CB 3.34Å; E177-S181 PolarHBondContact O-N 3.16Å; E177-S181 VanDerWaalsContact O-N 3.12Å; E177-S181 PolarHBondContact O-OG 2.95Å; Y178-S181 PolarHBondContact O-N 2.9Å; V179-S181 VanDerWaalsContact C-N 3.26Å; V179-S181 PolarHBondContact O-N 3.02Å; S181-K183 VanDerWaalsContact C-N 3.26Å; S181-K183 PolarHBondContact O-N 3.13Å
182G90.9Very high90.6Very high71 Ų7182.8 Ų82.873%0.73245%0.446SS*.THydrogen-bonded Turntrans68.519.4-175.700000114.5Y178 V179 D180Y178-G182 PolarHBondContact O-N 2.9Å; V179-G182 PolarHBondContact O-N 2.95Å; D180-G182 PolarHBondContact O-N 2.73Å
183K90.4Very high90.8Very high117 Ų11784.8 Ų84.851%0.50945%0.452SS..  trans-84.5152.2177.1-64.1178.7-176.8171.40110.4Y178 S181 P185Y178-K183 HydrophobicContact CD1-CB 4.13Å; Y178-K183 HydrophobicContact CD1-CD 4.16Å; Y178-K183 WeakPolarHBondContact O-CB 3.25Å; Y178-K183 PolarHBondContact O-N 3.27Å; S181-K183 VanDerWaalsContact C-N 3.26Å; S181-K183 PolarHBondContact O-N 3.13Å; K183-P185 VanDerWaalsContact O-CD 3.29Å; K183-P185 WeakPolarHBondContact O-CD 3.23Å
184N90.6Very high91.1Very high94 Ų9483.2 Ų83.250%0.50344%0.442SS..  trans-64.9121.7174.9-175.8-17.7000110.3Q186 L187N184-Q186 PolarHBondContact O-N 3.34Å; N184-Q186 VanDerWaalsContact O-N 3.08Å; N184-Q186 WeakPolarHBondContact OD1-CB 3.47Å; N184-Q186 WeakPolarHBondContact OD1-CG 3.25Å; N184-Q186 PolarHBondContact OD1-N 2.97Å; N184-L187 HydrophobicContact CB-CD1 4.41Å; N184-L187 HydrophobicContact CB-CG 4.28Å; N184-L187 VanDerWaalsContact O-CB 3.29Å; N184-L187 WeakPolarHBondContact O-CB 3.45Å; N184-L187 WeakPolarHBondContact O-CG 3.44Å; N184-L187 PolarHBondContact O-N 2.84Å
185P89.8Confident91.4Very high50 Ų5086.8 Ų86.833%0.32545%0.451SS..Hα-helixtrans-52.3-28.1175.8-31.739.5000114.6L175 V179 K183 L187 Y188 T189L175-P185 HydrophobicContact CD1-CB 3.95Å; V179-P185 HydrophobicContact CG2-CG 4.12Å; K183-P185 VanDerWaalsContact O-CD 3.29Å; K183-P185 WeakPolarHBondContact O-CD 3.23Å; P185-L187 PolarHBondContact O-N 3.08Å; P185-Y188 WeakPolarHBondContact O-CB 3.44Å; P185-Y188 PolarHBondContact O-N 2.71Å; P185-Y188 VanDerWaalsContact O-N 3.07Å; P185-T189 PolarHBondContact O-N 2.94Å
186Q89.5Confident91.5Very high126 Ų12689.3 Ų89.359%0.58947%0.468SS*.Hα-helixtrans-64-22.6177.2-62.3-61-22.200112.9N184 T189 R190N184-Q186 PolarHBondContact O-N 3.34Å; N184-Q186 VanDerWaalsContact O-N 3.08Å; N184-Q186 WeakPolarHBondContact OD1-CB 3.47Å; N184-Q186 WeakPolarHBondContact OD1-CG 3.25Å; N184-Q186 PolarHBondContact OD1-N 2.97Å; Q186-T189 PolarHBondContact O-N 3.3Å; Q186-R190 WeakPolarHBondContact O-CB 2.94Å; Q186-R190 PolarHBondContact O-N 3.4Å
187L91.6Very high91.7Very high62 Ų6288.1 Ų88.133%0.32546%0.464SS..Hα-helixtrans-66.1-39.1172.9-62.8175.5000111.3Y178 N184 P185 R190 D191Y178-L187 HydrophobicContact CD1-CB 4.37Å; Y178-L187 HydrophobicContact CE1-CB 4.25Å; N184-L187 HydrophobicContact CB-CD1 4.41Å; N184-L187 HydrophobicContact CB-CG 4.28Å; N184-L187 VanDerWaalsContact O-CB 3.29Å; N184-L187 WeakPolarHBondContact O-CB 3.45Å; N184-L187 WeakPolarHBondContact O-CG 3.44Å; N184-L187 PolarHBondContact O-N 2.84Å; P185-L187 PolarHBondContact O-N 3.08Å; L187-R190 PolarHBondContact O-N 2.96Å; L187-D191 WeakPolarHBondContact O-CB 3.19Å; L187-D191 PolarHBondContact O-N 3.49Å
188Y91.8Very high91.9Very high34 Ų3484.7 Ų84.713%0.13346%0.458CS..Hα-helixtrans-61.6-46.1173.5173.7-98.5000111.1P172 E174 L175 Y178 P185 R190 D191 C192P172-Y188 HydrophobicContact CB-CE1 4.25Å; P172-Y188 HydrophobicContact CG-CE1 4.12Å; E174-Y188 HydrophobicContact CB-CD2 4.44Å; E174-Y188 HydrophobicContact CB-CE2 3.62Å; E174-Y188 WeakPolarHBondContact OE2-CE2 2.94Å; E174-Y188 PolarHBondContact OE2-OH 3.09Å; L175-Y188 HydrophobicContact CB-CD1 4.36Å; L175-Y188 VanDerWaalsContact CD1-CB 3.5Å; L175-Y188 HydrophobicContact CD1-CD1 3.69Å; L175-Y188 HydrophobicContact CD1-CG 3.7Å; Y178-Y188 HydrophobicContact CD2-CD2 4.1Å; Y178-Y188 HydrophobicContact CD2-CG 4.46Å; Y178-Y188 AromaticContact CE2-CD2 3.64Å; Y178-Y188 HydrophobicContact CE2-CD2 3.64Å; Y178-Y188 HydrophobicContact CE2-CG 4.3Å; P185-Y188 WeakPolarHBondContact O-CB 3.44Å; P185-Y188 PolarHBondContact O-N 2.71Å; P185-Y188 VanDerWaalsContact O-N 3.07Å; Y188-R190 VanDerWaalsContact C-N 3.33Å; Y188-R190 PolarHBondContact O-N 2.91Å; Y188-D191 PolarHBondContact O-N 3.23Å; Y188-C192 VanDerWaalsContact O-CB 3.22Å; Y188-C192 WeakPolarHBondContact O-CB 3.27Å; Y188-C192 PolarHBondContact O-N 2.78Å
189T91.8Very high92.1Very high64 Ų6487.2 Ų87.239%0.39347%0.47SS..Hα-helixtrans-59.9-44.7177.7-60.50000111P185 Q186 C192 I193P185-T189 PolarHBondContact O-N 2.94Å; Q186-T189 PolarHBondContact O-N 3.3Å; T189-C192 PolarHBondContact O-N 2.84Å; T189-I193 HydrophobicContact CG2-CD1 3.97Å; T189-I193 VanDerWaalsContact O-CG1 3.27Å; T189-I193 WeakPolarHBondContact O-CG1 3.46Å; T189-I193 PolarHBondContact O-N 2.83Å
190R91.7Very high92.2Very high118 Ų11885 Ų8545%0.44546%0.456SS..Hα-helixtrans-58.5-53.6173.9-178.6-158.965.3-171.1-0111.3Q186 L187 Y188 C192 I193 E194Q186-R190 WeakPolarHBondContact O-CB 2.94Å; Q186-R190 PolarHBondContact O-N 3.4Å; L187-R190 PolarHBondContact O-N 2.96Å; Y188-R190 VanDerWaalsContact C-N 3.33Å; Y188-R190 PolarHBondContact O-N 2.91Å; R190-C192 VanDerWaalsContact C-N 3.26Å; R190-C192 PolarHBondContact O-N 3.42Å; R190-I193 PolarHBondContact O-N 3.43Å; R190-I193 VanDerWaalsContact O-N 3.13Å; R190-E194 WeakPolarHBondContact CD-OE1 3.28Å; R190-E194 HydrophobicContact CG-CG 4.26Å; R190-E194 WeakPolarHBondContact CG-OE1 3.48Å; R190-E194 IonicContact NE-OE1 2.91Å; R190-E194 WeakPolarHBondContact O-CB 3.35Å; R190-E194 WeakPolarHBondContact O-CG 3.26Å; R190-E194 PolarHBondContact O-N 3.19Å
191D91.9Very high92.3Very high42 Ų4286.9 Ų86.923%0.22546%0.458CS..Hα-helixtrans-63-35.6-175.9-68-2.8000111.6Y178 L187 Y188 R195Y178-D191 PolarHBondContact OH-OD2 3.46Å; L187-D191 WeakPolarHBondContact O-CB 3.19Å; L187-D191 PolarHBondContact O-N 3.49Å; Y188-D191 PolarHBondContact O-N 3.23Å; D191-R195 WeakPolarHBondContact O-CB 3.35Å; D191-R195 PolarHBondContact O-N 3.48Å
192C92.5Very high92.2Very high57 Ų5786.1 Ų86.139%0.38545%0.446SS..Hα-helixtrans-63.2-50.2173.3-1740000111.1Y188 T189 R190 R195 T196Y188-C192 VanDerWaalsContact O-CB 3.22Å; Y188-C192 WeakPolarHBondContact O-CB 3.27Å; Y188-C192 PolarHBondContact O-N 2.78Å; T189-C192 PolarHBondContact O-N 2.84Å; R190-C192 VanDerWaalsContact C-N 3.26Å; R190-C192 PolarHBondContact O-N 3.42Å; C192-R195 PolarHBondContact O-N 3.35Å; C192-T196 PolarHBondContact O-N 3.02Å; C192-T196 PolarHBondContact O-OG1 2.91Å
193I93.3Very high92.2Very high99 Ų9985.4 Ų85.451%0.50843%0.425SS..Hα-helixtrans-60.8-47.9177.4-68.8167.1000110.9T189 R190 R195 T196 V197T189-I193 HydrophobicContact CG2-CD1 3.97Å; T189-I193 VanDerWaalsContact O-CG1 3.27Å; T189-I193 WeakPolarHBondContact O-CG1 3.46Å; T189-I193 PolarHBondContact O-N 2.83Å; R190-I193 PolarHBondContact O-N 3.43Å; R190-I193 VanDerWaalsContact O-N 3.13Å; I193-R195 VanDerWaalsContact C-N 3.33Å; I193-R195 PolarHBondContact O-N 2.94Å; I193-T196 WeakPolarHBondContact O-CB 3.19Å; I193-T196 PolarHBondContact O-N 3.36Å; I193-T196 VanDerWaalsContact O-N 3.16Å; I193-V197 HydrophobicContact CG2-CG2 4.4Å; I193-V197 WeakPolarHBondContact O-CG2 3.45Å; I193-V197 PolarHBondContact O-N 3.37Å
194E93.9Very high92.3Very high111 Ų11182.6 Ų82.652%0.51942%0.415SS..Hα-helixtrans-60.1-43.2179.1-74.6179-179.700111.5R190 V197 A198R190-E194 WeakPolarHBondContact CD-OE1 3.28Å; R190-E194 HydrophobicContact CG-CG 4.26Å; R190-E194 WeakPolarHBondContact CG-OE1 3.48Å; R190-E194 IonicContact NE-OE1 2.91Å; R190-E194 WeakPolarHBondContact O-CB 3.35Å; R190-E194 WeakPolarHBondContact O-CG 3.26Å; R190-E194 PolarHBondContact O-N 3.19Å; E194-V197 PolarHBondContact O-N 3.43Å; E194-A198 WeakPolarHBondContact O-CB 3.39Å; E194-A198 PolarHBondContact O-N 3.46Å
195R93.2Very high92.2Very high188 Ų18881.1 Ų81.171%0.70941%0.412SS*.Hα-helixtrans-63-42.2174.8-172.3-178.1-59.4-154.51.1111.7D191 C192 I193 A198 K199D191-R195 WeakPolarHBondContact O-CB 3.35Å; D191-R195 PolarHBondContact O-N 3.48Å; C192-R195 PolarHBondContact O-N 3.35Å; I193-R195 VanDerWaalsContact C-N 3.33Å; I193-R195 PolarHBondContact O-N 2.94Å; R195-A198 PolarHBondContact O-N 3.08Å; R195-K199 VanDerWaalsContact O-CB 3.32Å; R195-K199 WeakPolarHBondContact O-CB 3.32Å; R195-K199 PolarHBondContact O-N 3.49Å
196T93.5Very high92.4Very high87 Ų8781 Ų8153%0.53441%0.406SS..Hα-helixtrans-62.1-43.6175.5-59.80000111.3C192 I193 K199 N200C192-T196 PolarHBondContact O-N 3.02Å; C192-T196 PolarHBondContact O-OG1 2.91Å; I193-T196 WeakPolarHBondContact O-CB 3.19Å; I193-T196 PolarHBondContact O-N 3.36Å; I193-T196 VanDerWaalsContact O-N 3.16Å; T196-K199 PolarHBondContact O-N 2.71Å; T196-N200 VanDerWaalsContact O-CB 3.26Å; T196-N200 WeakPolarHBondContact O-CB 3.33Å; T196-N200 PolarHBondContact O-N 2.82Å
197V93.9Very high92.5Very high66 Ų6678.1 Ų78.140%0.440%0.395SS..Hα-helixtrans-64.2-47.1177.6171.20000111.1I89 I193 E194 K199 N200 K201I89-V197 HydrophobicContact CD1-CG1 4.02Å; I89-V197 HydrophobicContact CD1-CG2 4.11Å; I193-V197 HydrophobicContact CG2-CG2 4.4Å; I193-V197 WeakPolarHBondContact O-CG2 3.45Å; I193-V197 PolarHBondContact O-N 3.37Å; E194-V197 PolarHBondContact O-N 3.43Å; V197-K199 VanDerWaalsContact C-N 3.32Å; V197-K199 PolarHBondContact O-N 3.02Å; V197-N200 PolarHBondContact O-N 3.12Å; V197-K201 PolarHBondContact O-N 3.15Å
198A94.5Very high92.4Very high61 Ų6180 Ų8050%0.50441%0.405SS..Hα-helixtrans-59.4-44176.700000111.4E194 R195 K201 E202E194-A198 WeakPolarHBondContact O-CB 3.39Å; E194-A198 PolarHBondContact O-N 3.46Å; R195-A198 PolarHBondContact O-N 3.08Å; A198-K201 PolarHBondContact O-N 2.87Å; A198-E202 PolarHBondContact O-N 2.98Å
199K94.8Very high92.4Very high102 Ų10284.4 Ų84.444%0.44343%0.427SS..Hα-helixtrans-67-39178.8-164.557.9169.6-175.80112.4R195 T196 V197 E202 L203R195-K199 VanDerWaalsContact O-CB 3.32Å; R195-K199 WeakPolarHBondContact O-CB 3.32Å; R195-K199 PolarHBondContact O-N 3.49Å; T196-K199 PolarHBondContact O-N 2.71Å; V197-K199 VanDerWaalsContact C-N 3.32Å; V197-K199 PolarHBondContact O-N 3.02Å; K199-E202 VanDerWaalsContact CD-OE2 3.26Å; K199-E202 WeakPolarHBondContact CD-OE2 3.46Å; K199-E202 IonicContact NZ-OE1 3.54Å; K199-E202 IonicContact NZ-OE2 2.67Å; K199-E202 PolarHBondContact NZ-OE2 3.35Å; K199-E202 PolarHBondContact O-N 2.84Å; K199-L203 HydrophobicContact CG-CD1 4.46Å; K199-L203 WeakPolarHBondContact O-CB 3.46Å; K199-L203 VanDerWaalsContact O-CG 3.27Å; K199-L203 WeakPolarHBondContact O-CG 3.26Å; K199-L203 PolarHBondContact O-N 3.27Å
200N92.2Very high92.4Very high31 Ų3189.2 Ų89.217%0.16644%0.439CS..Hα-helixtrans-62-45.5175-172.3-23.8000111.1V86 T196 V197 E202 L203 N204V86-N200 WeakPolarHBondContact CB-ND2 3.37Å; T196-N200 VanDerWaalsContact O-CB 3.26Å; T196-N200 WeakPolarHBondContact O-CB 3.33Å; T196-N200 PolarHBondContact O-N 2.82Å; V197-N200 PolarHBondContact O-N 3.12Å; N200-E202 PolarHBondContact O-N 3.38Å; N200-L203 PolarHBondContact O-N 3.43Å; N200-N204 WeakPolarHBondContact O-CB 3.15Å; N200-N204 VanDerWaalsContact O-CG 3.31Å; N200-N204 PolarHBondContact O-N 3.46Å; N200-N204 PolarHBondContact O-ND2 3.04Å; N200-N204 PolarHBondContact OD1-ND2 3.26Å
201K93.2Very high92.3Very high165 Ų16589.5 Ų89.572%0.71744%0.443SS*.Hα-helixtrans-60.2-44.5174.3-172.9177.8-179.9178.60112.1V197 A198 N204 S205V197-K201 PolarHBondContact O-N 3.15Å; A198-K201 PolarHBondContact O-N 2.87Å; K201-N204 PolarHBondContact O-N 3.02Å; K201-S205 WeakPolarHBondContact O-CB 3.27Å; K201-S205 PolarHBondContact O-N 3.48Å
202E92Very high92.3Very high64 Ų6493.9 Ų93.930%0.29946%0.46SS..Hα-helixtrans-60.2-46175.6-169.1-158.2151.200111.5A198 K199 N200 S205 K206A198-E202 PolarHBondContact O-N 2.98Å; K199-E202 VanDerWaalsContact CD-OE2 3.26Å; K199-E202 WeakPolarHBondContact CD-OE2 3.46Å; K199-E202 IonicContact NZ-OE1 3.54Å; K199-E202 IonicContact NZ-OE2 2.67Å; K199-E202 PolarHBondContact NZ-OE2 3.35Å; K199-E202 PolarHBondContact O-N 2.84Å; N200-E202 PolarHBondContact O-N 3.38Å; E202-S205 PolarHBondContact O-N 2.93Å; E202-K206 WeakPolarHBondContact O-CG 3.44Å; E202-K206 PolarHBondContact O-N 3.37Å; E202-K206 WeakPolarHBondContact OE1-CE 3.39Å; E202-K206 IonicContact OE1-NZ 2.71Å; E202-K206 PolarHBondContact OE1-NZ 2.9Å
203L90.6Very high92.4Very high56 Ų5697 Ų9729%0.29347%0.468SS..Hα-helixtrans-64.8-42.5178.9-71.9178.2000112L83 K199 N200 S205 K206 I207L83-L203 HydrophobicContact CD1-CD1 4.04Å; K199-L203 HydrophobicContact CG-CD1 4.46Å; K199-L203 WeakPolarHBondContact O-CB 3.46Å; K199-L203 VanDerWaalsContact O-CG 3.27Å; K199-L203 WeakPolarHBondContact O-CG 3.26Å; K199-L203 PolarHBondContact O-N 3.27Å; N200-L203 PolarHBondContact O-N 3.43Å; L203-S205 VanDerWaalsContact C-N 3.34Å; L203-S205 PolarHBondContact O-N 3.43Å; L203-K206 PolarHBondContact O-N 3.44Å; L203-I207 WeakPolarHBondContact O-CG1 3.39Å; L203-I207 PolarHBondContact O-N 3.48Å
204N91.6Very high92.1Very high58 Ų5897.4 Ų97.431%0.3146%0.463SS..Hα-helixtrans-63.1-41.5176.5-72.9-23.7000111.8N200 K201 K206 I207 D208N200-N204 WeakPolarHBondContact O-CB 3.15Å; N200-N204 VanDerWaalsContact O-CG 3.31Å; N200-N204 PolarHBondContact O-N 3.46Å; N200-N204 PolarHBondContact O-ND2 3.04Å; N200-N204 PolarHBondContact OD1-ND2 3.26Å; K201-N204 PolarHBondContact O-N 3.02Å; N204-K206 VanDerWaalsContact C-N 3.35Å; N204-K206 PolarHBondContact O-N 2.88Å; N204-I207 PolarHBondContact O-N 3.34Å; N204-D208 PolarHBondContact O-N 2.67Å
205S89.4Confident91.7Very high62 Ų6296.1 Ų96.143%0.43447%0.465SS..Hα-helixtrans-59.8-43.7173.8-178.80000111.8K201 E202 L203 D208 Q209K201-S205 WeakPolarHBondContact O-CB 3.27Å; K201-S205 PolarHBondContact O-N 3.48Å; E202-S205 PolarHBondContact O-N 2.93Å; L203-S205 VanDerWaalsContact C-N 3.34Å; L203-S205 PolarHBondContact O-N 3.43Å; S205-D208 PolarHBondContact O-N 2.84Å; S205-Q209 WeakPolarHBondContact O-CG 2.99Å; S205-Q209 PolarHBondContact O-N 3.17Å
206K94.2Very high91.6Very high47 Ų4792 Ų9220%0.20446%0.455CS..Hα-helixtrans-62.4-44.2174.4-72178.5-173.9169.50112.4E202 L203 N204 D208 Q209 Y210E202-K206 WeakPolarHBondContact O-CG 3.44Å; E202-K206 PolarHBondContact O-N 3.37Å; E202-K206 WeakPolarHBondContact OE1-CE 3.39Å; E202-K206 IonicContact OE1-NZ 2.71Å; E202-K206 PolarHBondContact OE1-NZ 2.9Å; L203-K206 PolarHBondContact O-N 3.44Å; N204-K206 VanDerWaalsContact C-N 3.35Å; N204-K206 PolarHBondContact O-N 2.88Å; K206-D208 VanDerWaalsContact C-N 3.25Å; K206-D208 PolarHBondContact O-N 3.3Å; K206-Q209 PolarHBondContact O-N 2.86Å; K206-Y210 HydrophobicContact CB-CD2 4.43Å; K206-Y210 HydrophobicContact CB-CE2 4.2Å; K206-Y210 WeakPolarHBondContact O-CD2 3.39Å; K206-Y210 PolarHBondContact O-N 3.24Å
207I90.2Very high91.4Very high66 Ų6691.7 Ų91.734%0.33845%0.45SS..Hα-helixtrans-58.7-42176.6-70.6166.5000110.2L203 N204 Y210 K211L203-I207 WeakPolarHBondContact O-CG1 3.39Å; L203-I207 PolarHBondContact O-N 3.48Å; N204-I207 PolarHBondContact O-N 3.34Å; I207-Y210 PolarHBondContact O-N 2.96Å; I207-K211 HydrophobicContact CG2-CD 4.2Å; I207-K211 VanDerWaalsContact O-CG 3.28Å; I207-K211 WeakPolarHBondContact O-CG 3.48Å; I207-K211 PolarHBondContact O-N 3.36Å
208D90.5Very high91Very high103 Ų10389.3 Ų89.355%0.55144%0.435SS*.Hα-helixtrans-65.7-43.9177.4-167.957.5000112.4N204 S205 K206 Y210 K211 K212N204-D208 PolarHBondContact O-N 2.67Å; S205-D208 PolarHBondContact O-N 2.84Å; K206-D208 VanDerWaalsContact C-N 3.25Å; K206-D208 PolarHBondContact O-N 3.3Å; D208-Y210 PolarHBondContact O-N 3.09Å; D208-K211 WeakPolarHBondContact O-CB 3.44Å; D208-K211 PolarHBondContact O-N 2.92Å; D208-K211 VanDerWaalsContact O-N 3.17Å; D208-K212 PolarHBondContact O-N 3.27Å
209Q91.9Very high90.6Very high126 Ų12689.3 Ų89.359%0.58943%0.431SS*.Hα-helixtrans-58.8-44.8173.5-72.2177.31.400112.1S205 K206 K211 K212 F213S205-Q209 WeakPolarHBondContact O-CG 2.99Å; S205-Q209 PolarHBondContact O-N 3.17Å; K206-Q209 PolarHBondContact O-N 2.86Å; Q209-K211 VanDerWaalsContact C-N 3.35Å; Q209-K211 PolarHBondContact O-N 3.25Å; Q209-K212 PolarHBondContact O-N 3.38Å; Q209-F213 WeakPolarHBondContact O-CB 3.33Å; Q209-F213 PolarHBondContact O-N 2.9Å
210Y91.8Very high90.4Very high165 Ų16590.2 Ų90.265%0.64744%0.437SS*.Hα-helixtrans-65.3-36.6176-72.3-57.4000112.5K206 I207 D208 R214K206-Y210 HydrophobicContact CB-CD2 4.43Å; K206-Y210 HydrophobicContact CB-CE2 4.2Å; K206-Y210 WeakPolarHBondContact O-CD2 3.39Å; K206-Y210 PolarHBondContact O-N 3.24Å; I207-Y210 PolarHBondContact O-N 2.96Å; D208-Y210 PolarHBondContact O-N 3.09Å; Y210-R214 VanDerWaalsContact O-CB 3.29Å; Y210-R214 WeakPolarHBondContact O-CB 3.28Å; Y210-R214 PolarHBondContact O-N 2.92Å
211K89.4Confident90.2Very high123 Ų12392 Ų9254%0.53545%0.446SS..Hα-helixtrans-63.3-46.2173.3-76172.9179.9178.60111I207 D208 Q209 R214 C215I207-K211 HydrophobicContact CG2-CD 4.2Å; I207-K211 VanDerWaalsContact O-CG 3.28Å; I207-K211 WeakPolarHBondContact O-CG 3.48Å; I207-K211 PolarHBondContact O-N 3.36Å; D208-K211 WeakPolarHBondContact O-CB 3.44Å; D208-K211 PolarHBondContact O-N 2.92Å; D208-K211 VanDerWaalsContact O-N 3.17Å; Q209-K211 VanDerWaalsContact C-N 3.35Å; Q209-K211 PolarHBondContact O-N 3.25Å; K211-R214 WeakPolarHBondContact O-CB 3.45Å; K211-R214 PolarHBondContact O-N 3.15Å; K211-C215 PolarHBondContact O-N 2.95Å; K211-C215 PolarHBondContact O-SG 2.99Å
212K92.6Very high89.8Confident134 Ų13486.6 Ų86.658%0.58343%0.427SS*.Hα-helixtrans-63.6-45.3177.5-170.9176.8179.9177.90111.9D208 Q209 R214 C215 M216D208-K212 PolarHBondContact O-N 3.27Å; Q209-K212 PolarHBondContact O-N 3.38Å; K212-R214 VanDerWaalsContact C-N 3.34Å; K212-R214 PolarHBondContact O-N 2.96Å; K212-C215 PolarHBondContact O-N 3.46Å; K212-C215 VanDerWaalsContact O-N 3.15Å; K212-M216 HydrophobicContact CG-CE 4.17Å; K212-M216 HydrophobicContact CG-SD 4.41Å; K212-M216 WeakPolarHBondContact O-CG 3.31Å; K212-M216 PolarHBondContact O-N 3Å
213F92.9Very high89.6Confident123 Ų12390.1 Ų90.154%0.53944%0.443SS..Hα-helixtrans-58.4-45.6174.8178.8-106.5000111.5Q209 C215 M216 L217Q209-F213 WeakPolarHBondContact O-CB 3.33Å; Q209-F213 PolarHBondContact O-N 2.9Å; F213-C215 VanDerWaalsContact C-N 3.33Å; F213-C215 PolarHBondContact O-N 2.88Å; F213-M216 PolarHBondContact O-N 3.41Å; F213-L217 HydrophobicContact CE1-CD2 4.09Å; F213-L217 HydrophobicContact CZ-CD2 4.31Å; F213-L217 VanDerWaalsContact O-CB 3.27Å; F213-L217 WeakPolarHBondContact O-CB 3.29Å; F213-L217 PolarHBondContact O-N 3.34Å
214R88.1Confident89.5Confident108 Ų10894.2 Ų94.241%0.40846%0.461SS..Hα-helixtrans-57.8-44.6174177-173.4169.9-136.6-1.9111.7Y210 K211 K212 L218Y210-R214 VanDerWaalsContact O-CB 3.29Å; Y210-R214 WeakPolarHBondContact O-CB 3.28Å; Y210-R214 PolarHBondContact O-N 2.92Å; K211-R214 WeakPolarHBondContact O-CB 3.45Å; K211-R214 PolarHBondContact O-N 3.15Å; K212-R214 VanDerWaalsContact C-N 3.34Å; K212-R214 PolarHBondContact O-N 2.96Å; R214-L218 HydrophobicContact CG-CD1 3.84Å; R214-L218 HydrophobicContact CG-CG 4.4Å; R214-L218 VanDerWaalsContact O-CB 3.29Å; R214-L218 WeakPolarHBondContact O-CB 3.22Å; R214-L218 VanDerWaalsContact O-CG 3.22Å; R214-L218 WeakPolarHBondContact O-CG 3.27Å; R214-L218 PolarHBondContact O-N 2.93Å
215C86.4Confident89.3Confident84 Ų8496.8 Ų96.857%0.56847%0.47SS*.Hα-helixtrans-64.7-44.9179.5-68.90000112.3K211 K212 F213 L218 S219K211-C215 PolarHBondContact O-N 2.95Å; K211-C215 PolarHBondContact O-SG 2.99Å; K212-C215 PolarHBondContact O-N 3.46Å; K212-C215 VanDerWaalsContact O-N 3.15Å; F213-C215 VanDerWaalsContact C-N 3.33Å; F213-C215 PolarHBondContact O-N 2.88Å; C215-L218 PolarHBondContact O-N 3.29Å; C215-S219 PolarHBondContact O-N 3.08Å
216M89.9Confident89Confident100 Ų10097.1 Ų97.149%0.49347%0.471SS..Hα-helixtrans-64.1-47.8177.6-66.4-177.6-57.600111.2K212 F213 L218 S219 E220K212-M216 HydrophobicContact CG-CE 4.17Å; K212-M216 HydrophobicContact CG-SD 4.41Å; K212-M216 WeakPolarHBondContact O-CG 3.31Å; K212-M216 PolarHBondContact O-N 3Å; F213-M216 PolarHBondContact O-N 3.41Å; M216-L218 VanDerWaalsContact C-N 3.29Å; M216-L218 PolarHBondContact O-N 3.42Å; M216-S219 WeakPolarHBondContact O-CA 3.22Å; M216-S219 VanDerWaalsContact O-CB 3.31Å; M216-S219 WeakPolarHBondContact O-CB 3.3Å; M216-S219 PolarHBondContact O-N 3Å; M216-E220 PolarHBondContact O-N 3.38Å; M216-E220 VanDerWaalsContact O-N 3.08Å
217L89.6Confident88.5Confident81 Ų81102.5 Ų102.542%0.42449%0.494SS..Hα-helixtrans-60.4-39.6177.6-175.465.2000111.9F213 S219 L221F213-L217 HydrophobicContact CE1-CD2 4.09Å; F213-L217 HydrophobicContact CZ-CD2 4.31Å; F213-L217 VanDerWaalsContact O-CB 3.27Å; F213-L217 WeakPolarHBondContact O-CB 3.29Å; F213-L217 PolarHBondContact O-N 3.34Å; L217-S219 VanDerWaalsContact C-N 3.31Å; L217-L221 HydrophobicContact CD1-CD1 4.26Å; L217-L221 HydrophobicContact CD1-CG 4.44Å; L217-L221 HydrophobicContact CG-CD1 3.91Å; L217-L221 HydrophobicContact CG-CG 4.49Å; L217-L221 VanDerWaalsContact O-CB 3.3Å; L217-L221 WeakPolarHBondContact O-CB 3.49Å; L217-L221 VanDerWaalsContact O-CG 3.22Å; L217-L221 WeakPolarHBondContact O-CG 3.29Å; L217-L221 PolarHBondContact O-N 2.94Å
218L86.2Confident88.2Confident17 Ų17104.2 Ų104.29%0.08950%0.501CS..Hα-helixtrans-69-28.7174.8-75.3173.5000112.9R214 C215 M216 T222 T229 Y232R214-L218 HydrophobicContact CG-CD1 3.84Å; R214-L218 HydrophobicContact CG-CG 4.4Å; R214-L218 VanDerWaalsContact O-CB 3.29Å; R214-L218 WeakPolarHBondContact O-CB 3.22Å; R214-L218 VanDerWaalsContact O-CG 3.22Å; R214-L218 WeakPolarHBondContact O-CG 3.27Å; R214-L218 PolarHBondContact O-N 2.93Å; C215-L218 PolarHBondContact O-N 3.29Å; M216-L218 VanDerWaalsContact C-N 3.29Å; M216-L218 PolarHBondContact O-N 3.42Å; L218-T222 WeakPolarHBondContact O-CB 3.34Å; L218-T222 PolarHBondContact O-N 3.21Å; L218-T222 VanDerWaalsContact O-N 3.1Å; L218-T222 PolarHBondContact O-OG1 3.17Å; L218-T229 HydrophobicContact CD2-CG2 4.12Å; L218-Y232 HydrophobicContact CD1-CE1 4.38Å; L218-Y232 HydrophobicContact CD2-CD1 3.66Å; L218-Y232 HydrophobicContact CD2-CE1 3.64Å
219S86.3Confident87.6Confident61 Ų6199.7 Ų99.743%0.42748%0.477SS..Hα-helixtrans-66.3-55174.7-161.20000110.3C215 M216 L217 L221 T222 E223C215-S219 PolarHBondContact O-N 3.08Å; M216-S219 WeakPolarHBondContact O-CA 3.22Å; M216-S219 VanDerWaalsContact O-CB 3.31Å; M216-S219 WeakPolarHBondContact O-CB 3.3Å; M216-S219 PolarHBondContact O-N 3Å; L217-S219 VanDerWaalsContact C-N 3.31Å; S219-L221 PolarHBondContact O-N 3.34Å; S219-T222 WeakPolarHBondContact O-CB 3.38Å; S219-T222 PolarHBondContact O-N 3.36Å; S219-E223 PolarHBondContact O-N 3.21Å
220E89.6Confident87Confident120 Ų12099 Ų9956%0.56148%0.475SS*.Hα-helixtrans-59.4-43.2178.7-60.3-62.9139.800112.1M216 T222 E223 E224M216-E220 PolarHBondContact O-N 3.38Å; M216-E220 VanDerWaalsContact O-N 3.08Å; E220-T222 VanDerWaalsContact C-N 3.27Å; E220-T222 PolarHBondContact O-N 2.6Å; E220-E223 PolarHBondContact O-N 3.21Å; E220-E224 PolarHBondContact O-N 3.36Å
221L87.7Confident86.6Confident68 Ų6897.3 Ų97.336%0.35647%0.474SS..Hα-helixtrans-66.3-28.6176.2-74.2171.3000112.9L217 S219 E223 F225 T229L217-L221 HydrophobicContact CD1-CD1 4.26Å; L217-L221 HydrophobicContact CD1-CG 4.44Å; L217-L221 HydrophobicContact CG-CD1 3.91Å; L217-L221 HydrophobicContact CG-CG 4.49Å; L217-L221 VanDerWaalsContact O-CB 3.3Å; L217-L221 WeakPolarHBondContact O-CB 3.49Å; L217-L221 VanDerWaalsContact O-CG 3.22Å; L217-L221 WeakPolarHBondContact O-CG 3.29Å; L217-L221 PolarHBondContact O-N 2.94Å; S219-L221 PolarHBondContact O-N 3.34Å; L221-E223 VanDerWaalsContact C-N 3.34Å; L221-F225 CarbonylContact O-C 3.46Å; L221-F225 VanDerWaalsContact O-C 3.27Å; L221-F225 WeakPolarHBondContact O-CA 3.42Å; L221-F225 PolarHBondContact O-N 3.1Å; L221-F225 VanDerWaalsContact O-O 3.1Å; L221-T229 VanDerWaalsContact C-OG1 3.27Å; L221-T229 PolarHBondContact O-OG1 3.13Å
222T85.8Confident86.3Confident52 Ų5295.6 Ų95.632%0.31947%0.465SS..Hα-helixtrans-71-33.6176-56.90000111L218 S219 E220 T229 R233L218-T222 WeakPolarHBondContact O-CB 3.34Å; L218-T222 PolarHBondContact O-N 3.21Å; L218-T222 VanDerWaalsContact O-N 3.1Å; L218-T222 PolarHBondContact O-OG1 3.17Å; S219-T222 WeakPolarHBondContact O-CB 3.38Å; S219-T222 PolarHBondContact O-N 3.36Å; E220-T222 VanDerWaalsContact C-N 3.27Å; E220-T222 PolarHBondContact O-N 2.6Å; T222-T229 WeakPolarHBondContact OG1-CG2 3.5Å; T222-R233 PolarHBondContact OG1-NH2 3.38Å
223E87.1Confident85.6Confident138 Ų13894.5 Ų94.565%0.64546%0.457SS*.Hα-helixtrans-70.5-46177.9-67-174.4-172.100112S219 E220 L221S219-E223 PolarHBondContact O-N 3.21Å; E220-E223 PolarHBondContact O-N 3.21Å; L221-E223 VanDerWaalsContact C-N 3.34Å
224E87.8Confident85Confident143 Ų14392.5 Ų92.567%0.66846%0.455SS*.Hα-helixtrans-81-38-179.2-67.4-65.7141.400113.3E220E220-E224 PolarHBondContact O-N 3.36Å
225F87.5Confident84.7Confident112 Ų11293.4 Ų93.449%0.49147%0.466SS..  trans-136.876.5-171.8-61.6-73.8000112.3L221 K227 E228 T229L221-F225 CarbonylContact O-C 3.46Å; L221-F225 VanDerWaalsContact O-C 3.27Å; L221-F225 WeakPolarHBondContact O-CA 3.42Å; L221-F225 PolarHBondContact O-N 3.1Å; L221-F225 VanDerWaalsContact O-O 3.1Å; F225-K227 PolarHBondContact O-N 3.02Å; F225-E228 HydrophobicContact CB-CB 4.28Å; F225-T229 WeakPolarHBondContact O-CB 3.36Å; F225-T229 PolarHBondContact O-N 3.39Å; F225-T229 VanDerWaalsContact O-N 3.16Å; F225-T229 PolarHBondContact O-OG1 2.88Å
226P84.5Confident84.1Confident69 Ų6995.9 Ų95.945%0.44846%0.464SS..Hα-helixtrans-67.3-34.7-174.623.8-33.3000113.3I230P226-I230 WeakPolarHBondContact O-CD1 3.41Å; P226-I230 VanDerWaalsContact O-CG1 3.24Å; P226-I230 WeakPolarHBondContact O-CG1 2.97Å; P226-I230 PolarHBondContact O-N 2.95Å
227K83Confident82.8Confident159 Ų15998.3 Ų98.369%0.69147%0.474SS*.Hα-helixtrans-73.1-44.5-175.3-68.3-179.5-179.5176.10111.7F225 Q231F225-K227 PolarHBondContact O-N 3.02Å; K227-Q231 PolarHBondContact O-N 3.21Å
228E83.1Confident80.8Confident103 Ų103103.7 Ų103.748%0.48149%0.49SS..Hα-helixtrans-69.5-39.4-179.1-64.571.9-162.400110.7F225 I230 Q231 Y232F225-E228 HydrophobicContact CB-CB 4.28Å; E228-I230 VanDerWaalsContact C-N 3.34Å; E228-I230 PolarHBondContact O-N 2.76Å; E228-Q231 WeakPolarHBondContact O-CB 3.22Å; E228-Q231 PolarHBondContact O-N 3.04Å; E228-Y232 PolarHBondContact O-N 3.48Å
229T78.9Confident79Confident8 Ų8107.7 Ų107.75%0.04952%0.517CS..Hα-helixtrans-66.3-35.8179.1-58.70000112.4L218 L221 T222 F225 Y232 R233L218-T229 HydrophobicContact CD2-CG2 4.12Å; L221-T229 VanDerWaalsContact C-OG1 3.27Å; L221-T229 PolarHBondContact O-OG1 3.13Å; T222-T229 WeakPolarHBondContact OG1-CG2 3.5Å; F225-T229 WeakPolarHBondContact O-CB 3.36Å; F225-T229 PolarHBondContact O-N 3.39Å; F225-T229 VanDerWaalsContact O-N 3.16Å; F225-T229 PolarHBondContact O-OG1 2.88Å; T229-Y232 PolarHBondContact O-N 2.96Å; T229-R233 WeakPolarHBondContact O-CG 3.48Å; T229-R233 PolarHBondContact O-N 3.1Å
230I79.3Confident76.6Confident110 Ų110110.3 Ų110.356%0.56454%0.535SS*.Hα-helixtrans-64.4-44.7173.4-68.1165.4000110.5P226 E228 Y232 R233 T234P226-I230 WeakPolarHBondContact O-CD1 3.41Å; P226-I230 VanDerWaalsContact O-CG1 3.24Å; P226-I230 WeakPolarHBondContact O-CG1 2.97Å; P226-I230 PolarHBondContact O-N 2.95Å; E228-I230 VanDerWaalsContact C-N 3.34Å; E228-I230 PolarHBondContact O-N 2.76Å; I230-Y232 VanDerWaalsContact C-N 3.31Å; I230-Y232 PolarHBondContact O-N 3.04Å; I230-R233 PolarHBondContact O-N 3.4Å; I230-T234 PolarHBondContact O-N 3.34Å; I230-T234 VanDerWaalsContact O-N 3.11Å; I230-T234 PolarHBondContact O-OG1 3.44Å; I230-T234 VanDerWaalsContact O-OG1 3.1Å
231Q82.9Confident74.1Confident131 Ų131114.8 Ų114.861%0.61255%0.547SS*.Hα-helixtrans-59.5-42.3175.8-67.9178.65.300111.8K227 E228 R233 T234 I235K227-Q231 PolarHBondContact O-N 3.21Å; E228-Q231 WeakPolarHBondContact O-CB 3.22Å; E228-Q231 PolarHBondContact O-N 3.04Å; Q231-R233 PolarHBondContact O-N 3.11Å; Q231-T234 PolarHBondContact O-N 3.22Å; Q231-I235 WeakPolarHBondContact O-CG1 3.24Å; Q231-I235 PolarHBondContact O-N 3.06Å; Q231-I235 VanDerWaalsContact O-N 3.16Å
232Y82.6Confident71.5Confident87 Ų87120.6 Ų120.634%0.34159%0.589SS.*Hα-helixtrans-60.7-43.2175.8174-92.1000112.8L218 E228 T229 I230 I235 R236L218-Y232 HydrophobicContact CD1-CE1 4.38Å; L218-Y232 HydrophobicContact CD2-CD1 3.66Å; L218-Y232 HydrophobicContact CD2-CE1 3.64Å; E228-Y232 PolarHBondContact O-N 3.48Å; T229-Y232 PolarHBondContact O-N 2.96Å; I230-Y232 VanDerWaalsContact C-N 3.31Å; I230-Y232 PolarHBondContact O-N 3.04Å; Y232-I235 PolarHBondContact O-N 3.35Å; Y232-R236 HydrophobicContact CE1-CG 4.16Å; Y232-R236 HydrophobicContact CE2-CG 4.17Å; Y232-R236 PolarHBondContact O-N 3.16Å; Y232-R236 WeakPolarHBondContact OH-CD 3.43Å; Y232-R236 VanDerWaalsContact OH-CZ 3.23Å; Y232-R236 PolarHBondContact OH-NE 3.16Å; Y232-R236 VanDerWaalsContact OH-NE 3.13Å; Y232-R236 PolarHBondContact OH-NH1 3.42Å
233R79.5Confident70.8Confident111 Ų111124 Ų12442%0.41960%0.602SS.*Hα-helixtrans-61.4-44.4178-72.1-177.9-168.8-142.57.7111.2T222 T229 I230 Q231 I235 R236 E237T222-R233 PolarHBondContact OG1-NH2 3.38Å; T229-R233 WeakPolarHBondContact O-CG 3.48Å; T229-R233 PolarHBondContact O-N 3.1Å; I230-R233 PolarHBondContact O-N 3.4Å; Q231-R233 PolarHBondContact O-N 3.11Å; R233-I235 VanDerWaalsContact C-N 3.31Å; R233-I235 PolarHBondContact O-N 3.31Å; R233-R236 PolarHBondContact O-N 3.36Å; R233-E237 WeakPolarHBondContact O-CG 3.33Å; R233-E237 PolarHBondContact O-N 2.96Å
234T79.8Confident69.9Low81 Ų81123.3 Ų123.350%0.49760%0.6SS.*Hα-helixtrans-59.4-40177.3-51.30000112.4I230 Q231I230-T234 PolarHBondContact O-N 3.34Å; I230-T234 VanDerWaalsContact O-N 3.11Å; I230-T234 PolarHBondContact O-OG1 3.44Å; I230-T234 VanDerWaalsContact O-OG1 3.1Å; Q231-T234 PolarHBondContact O-N 3.22Å
235I80.8Confident68.9Low127 Ų127122.2 Ų122.265%0.65160%0.596SS**Hα-helixtrans-70.4-39.9179-64.7166.3000111.3Q231 Y232 R233Q231-I235 WeakPolarHBondContact O-CG1 3.24Å; Q231-I235 PolarHBondContact O-N 3.06Å; Q231-I235 VanDerWaalsContact O-N 3.16Å; Y232-I235 PolarHBondContact O-N 3.35Å; R233-I235 VanDerWaalsContact C-N 3.31Å; R233-I235 PolarHBondContact O-N 3.31Å
236R73.6Confident67.9Low135 Ų135122.8 Ų122.851%0.50960%0.602SS.*Hα-helixtrans-80.4-25-176.8-90.7-141.5163.6178.6-7.8115.3Y232 R233 Y238 P239Y232-R236 HydrophobicContact CE1-CG 4.16Å; Y232-R236 HydrophobicContact CE2-CG 4.17Å; Y232-R236 PolarHBondContact O-N 3.16Å; Y232-R236 WeakPolarHBondContact OH-CD 3.43Å; Y232-R236 VanDerWaalsContact OH-CZ 3.23Å; Y232-R236 PolarHBondContact OH-NE 3.16Å; Y232-R236 VanDerWaalsContact OH-NE 3.13Å; Y232-R236 PolarHBondContact OH-NH1 3.42Å; R233-R236 PolarHBondContact O-N 3.36Å; R236-Y238 PolarHBondContact O-N 2.83Å; R236-P239 WeakPolarHBondContact O-CD 3.33Å
237E63.4Low66.8Low151 Ų151126.1 Ų126.171%0.70661%0.612SS**THydrogen-bonded Turntrans-70.7-11.1173-76.9177-176.600112.9R233 P239R233-E237 WeakPolarHBondContact O-CG 3.33Å; R233-E237 PolarHBondContact O-N 2.96Å; E237-P239 WeakPolarHBondContact O-CD 3.5Å
238Y47.7Very low65.7Low195 Ų195123.9 Ų123.977%0.76561%0.606SS**  trans-99.272.7161-76.7-90.7000111.4R236 S240R236-Y238 PolarHBondContact O-N 2.83Å; Y238-S240 VanDerWaalsContact C-N 3.3Å; Y238-S240 PolarHBondContact O-N 3.23Å
239P49.2Very low64.5Low101 Ų101125.4 Ų125.466%0.65662%0.615SS**  trans-72.29915531.3-24.3000105.9R236 E237 R241R236-P239 WeakPolarHBondContact O-CD 3.33Å; E237-P239 WeakPolarHBondContact O-CD 3.5Å; P239-R241 PolarHBondContact O-N 3.32Å
240S34.7Very low63.4Low116 Ų116134.5 Ų134.581%0.81166%0.659SS**  trans-56.290.616252.80000108.2Y238 P242Y238-S240 VanDerWaalsContact C-N 3.3Å; Y238-S240 PolarHBondContact O-N 3.23Å; S240-P242 WeakPolarHBondContact O-CD 3.4Å
241R38.5Very low62.1Low214 Ų214136.5 Ų136.581%0.80867%0.667SS**  trans-91.4112.6164.9-179.9-178.8-76.8-150.11.1105.8P239P239-R241 PolarHBondContact O-N 3.32Å
242P32.2Very low60.2Low189 Ų189137 Ų137100%1.22767%0.672SS**  trans-63.40160.427.9-31.7000110.7S240S240-P242 WeakPolarHBondContact O-CD 3.4Å

Retrieved 242 of 242 residues in 491.6 ms (Link to these results)