A0A087XXS0_POEFO Loading...

Transcriptional adapter

AlphaFold DB (A0A3B3V797), UniProt , Accession A0A087XXS0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 494 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M40Very low72.9Confident194 Ų19490.8 Ų90.896%0.95649%0.489SS*.  0156.90-154.2-174.6-136.100108.8D3 D80M1-D3 PolarHBondContact O-N 3.47Å; M1-D80 PolarHBondContact N-OD2 3.25Å
2A35.8Very low74.8Confident90 Ų9088.3 Ų88.374%0.74448%0.483SS*.  trans-49.5134.6-16500000115.5L4A2-L4 PolarHBondContact O-N 3.48Å
3D44.9Very low76.3Confident130 Ų13091.8 Ų91.870%0.69550%0.499SS*.  trans-51.4115.4168.7-178.627.7000109.3M1 G5 R73M1-D3 PolarHBondContact O-N 3.47Å; D3-G5 PolarHBondContact O-N 3.35Å; D3-R73 IonicContact OD1-NH2 2.72Å; D3-R73 PolarHBondContact OD1-NH2 2.68Å; D3-R73 VanDerWaalsContact OD1-NH2 3.1Å
4L57Low77.6Confident76 Ų7688.2 Ų88.240%0.39849%0.489SS..  trans-74.876.8178.5-84.9163.7000108.4A2A2-L4 PolarHBondContact O-N 3.48Å
5G69.6Low78.7Confident41 Ų4187.8 Ų87.842%0.42349%0.485SS..  trans-49.1142.9170.600000110.5D3 K7D3-G5 PolarHBondContact O-N 3.35Å; G5-K7 PolarHBondContact O-N 3.43Å
6K84.6Confident79.6Confident138 Ų13882.8 Ų82.860%0.646%0.458SS*.  trans-41124.7-162.4-65.7-172.3176.5-169.50113.1Y8 T17K6-Y8 HydrophobicContact CB-CE2 3.7Å; K6-Y8 WeakPolarHBondContact CB-OH 3.48Å; K6-Y8 WeakPolarHBondContact CD-OH 3.25Å; K6-Y8 WeakPolarHBondContact O-CD2 3.47Å; K6-Y8 WeakPolarHBondContact O-CE2 3.44Å; K6-T17 WeakPolarHBondContact CA-OG1 3.5Å
7K90.3Very high80.1Confident74 Ų7478.7 Ų78.732%0.32244%0.436SS..  trans-97.6141.1177.1-61-58.8-178-179.30109.5G5 V16 T17G5-K7 PolarHBondContact O-N 3.43Å; K7-V16 HydrophobicContact CB-CG2 4.06Å; K7-V16 PolarHBondContact O-N 3Å; K7-T17 PolarHBondContact N-OG1 2.9Å
8Y94.3Very high80.3Confident115 Ų11579.2 Ų79.245%0.45144%0.437SS..BIsolated β-bridgetrans-126140-175.8-61.9-79.8000110.3K6 V10 L13 A14 D15K6-Y8 HydrophobicContact CB-CE2 3.7Å; K6-Y8 WeakPolarHBondContact CB-OH 3.48Å; K6-Y8 WeakPolarHBondContact CD-OH 3.25Å; K6-Y8 WeakPolarHBondContact O-CD2 3.47Å; K6-Y8 WeakPolarHBondContact O-CE2 3.44Å; Y8-V10 PolarHBondContact O-N 3.25Å; Y8-L13 WeakPolarHBondContact CD1-O 3.34Å; Y8-A14 CarbonylContact C-O 3.53Å; Y8-A14 VanDerWaalsContact CA-O 3.27Å; Y8-A14 WeakPolarHBondContact CA-O 3.38Å; Y8-D15 HydrophobicContact CD1-CB 4.48Å; Y8-D15 HydrophobicContact CE1-CB 4.33Å
9C95.6Very high80.9Confident0 Ų078.5 Ų78.50%043%0.432CS..  trans-60.8123.8174.1178.60000109.6N11 C12 L13 A14 V16 E30 C32C9-N11 PolarHBondContact O-N 2.78Å; C9-N11 VanDerWaalsContact O-N 3.12Å; C9-C12 VanDerWaalsContact CB-SG 3.57Å; C9-C12 PolarHBondContact SG-SG 3.29Å; C9-L13 VanDerWaalsContact O-CA 3.24Å; C9-L13 WeakPolarHBondContact O-CA 3.23Å; C9-L13 PolarHBondContact O-N 3.23Å; C9-A14 PolarHBondContact N-O 3.22Å; C9-V16 HydrophobicContact CB-CG1 3.78Å; C9-E30 WeakPolarHBondContact CA-O 3.27Å; C9-C32 HydrophobicContact CB-CB 3.98Å; C9-C32 PolarHBondContact SG-N 3.29Å
10V95Very high81.5Confident59 Ų5974.7 Ų74.736%0.35841%0.411SS..THydrogen-bonded Turntrans-61.9-24.8-178.5-178.50000112.3Y8 D28 I29 E30 I42Y8-V10 PolarHBondContact O-N 3.25Å; V10-D28 WeakPolarHBondContact CG2-O 3.28Å; V10-I29 HydrophobicContact CG1-CD1 4.16Å; V10-E30 PolarHBondContact N-O 3.3Å; V10-I42 HydrophobicContact CB-CD1 4.18Å; V10-I42 HydrophobicContact CG1-CD1 3.91Å
11N94.9Very high82.2Confident82 Ų8272.4 Ų72.444%0.43940%0.398SS..THydrogen-bonded Turntrans-82.6-52.9179.9-165.152.1000113.8C9 L31 C35 A40 I42C9-N11 PolarHBondContact O-N 2.78Å; C9-N11 VanDerWaalsContact O-N 3.12Å; N11-L31 HydrophobicContact CB-CD2 4.2Å; N11-C35 HydrophobicContact CB-CB 4.04Å; N11-C35 PolarHBondContact ND2-SG 3.5Å; N11-A40 HydrophobicContact CB-CB 4.39Å; N11-I42 HydrophobicContact CB-CD1 3.82Å
12C95.5Very high84.9Confident61 Ų6167.7 Ų67.741%0.41237%0.37SS..THydrogen-bonded Turntrans-114.6-0.5-169670000114.4C9 A14 C32C9-C12 VanDerWaalsContact CB-SG 3.57Å; C9-C12 PolarHBondContact SG-SG 3.29Å; C12-A14 PolarHBondContact O-N 3.13Å; C12-A14 VanDerWaalsContact O-N 3.08Å; C12-A14 VanDerWaalsContact SG-CB 3.57Å; C12-C32 VanDerWaalsContact SG-SG 3.7Å
13L94.8Very high87.7Confident133 Ų13363.6 Ų63.670%0.69634%0.336SS*.  trans59.612.5-178.3-49.6178000115.3Y8 C9Y8-L13 WeakPolarHBondContact CD1-O 3.34Å; C9-L13 VanDerWaalsContact O-CA 3.24Å; C9-L13 WeakPolarHBondContact O-CA 3.23Å; C9-L13 PolarHBondContact O-N 3.23Å
14A94.8Very high90.2Very high42 Ų4261.5 Ų61.535%0.34733%0.328SS..  trans-63.2148.6170.700000111.3Y8 C9 C12 V16Y8-A14 CarbonylContact C-O 3.53Å; Y8-A14 VanDerWaalsContact CA-O 3.27Å; Y8-A14 WeakPolarHBondContact CA-O 3.38Å; C9-A14 PolarHBondContact N-O 3.22Å; C12-A14 PolarHBondContact O-N 3.13Å; C12-A14 VanDerWaalsContact O-N 3.08Å; C12-A14 VanDerWaalsContact SG-CB 3.57Å; A14-V16 PolarHBondContact O-N 2.96Å
15D93.6Very high92.1Very high82 Ų8262.4 Ų62.444%0.43933%0.333SS..BIsolated β-bridgetrans-68.3125.3174.1-165.6-35.2000109.8Y8 T17Y8-D15 HydrophobicContact CD1-CB 4.48Å; Y8-D15 HydrophobicContact CE1-CB 4.33Å; D15-T17 VanDerWaalsContact OD1-CB 3.23Å; D15-T17 WeakPolarHBondContact OD1-CB 3.4Å; D15-T17 PolarHBondContact OD1-N 3.03Å; D15-T17 PolarHBondContact OD1-OG1 3.39Å
16V92.3Very high93.3Very high7 Ų761.3 Ų61.34%0.04232%0.319CS..  trans-12722.1-178.4-58.40000111.8K7 C9 A14 N18 L19 R20 C32K7-V16 HydrophobicContact CB-CG2 4.06Å; K7-V16 PolarHBondContact O-N 3Å; C9-V16 HydrophobicContact CB-CG1 3.78Å; A14-V16 PolarHBondContact O-N 2.96Å; V16-N18 PolarHBondContact O-N 3.34Å; V16-L19 CarbonylContact O-C 3.54Å; V16-L19 PolarHBondContact O-N 3.09Å; V16-R20 HydrophobicContact CB-CB 3.82Å; V16-R20 HydrophobicContact CG2-CB 3.76Å; V16-R20 WeakPolarHBondContact O-CD 3.48Å; V16-C32 HydrophobicContact CG1-CB 3.4Å
17T88.3Confident93.7Very high14 Ų1460 Ų609%0.08633%0.325CS..SBendtrans-56.2-37.6-179.7-53.10000111.9K6 K7 D15 R20K6-T17 WeakPolarHBondContact CA-OG1 3.5Å; K7-T17 PolarHBondContact N-OG1 2.9Å; D15-T17 VanDerWaalsContact OD1-CB 3.23Å; D15-T17 WeakPolarHBondContact OD1-CB 3.4Å; D15-T17 PolarHBondContact OD1-N 3.03Å; D15-T17 PolarHBondContact OD1-OG1 3.39Å; T17-R20 PolarHBondContact O-NH1 3.36Å
18N84.7Confident93.6Very high87 Ų8763.6 Ų63.647%0.46535%0.347SS..SBendtrans-84.6-32.3-174.9-63.9-18.4000114.6V16 G56 L58V16-N18 PolarHBondContact O-N 3.34Å; N18-G56 PolarHBondContact O-N 2.98Å; N18-L58 HydrophobicContact CB-CD1 3.83Å
19L90.6Very high93.6Very high66 Ų6659.1 Ų59.135%0.34633%0.331SS..EExtended strand (participates in β ladder)trans-155.1121.8178.1178.361.4000109.5V16 P33 Q53V16-L19 CarbonylContact O-C 3.54Å; V16-L19 PolarHBondContact O-N 3.09Å; L19-P33 HydrophobicContact CD2-CG 3.97Å; L19-P33 HydrophobicContact CG-CG 4.22Å; L19-Q53 HydrophobicContact CD1-CG 3.75Å
20R93.5Very high93.6Very high3 Ų360 Ų601%0.01134%0.335CS..EExtended strand (participates in β ladder)trans-145.3157177.164.6-161.8-177.7-78.2-2.8112.5V16 T17 E30 L31 V54V16-R20 HydrophobicContact CB-CB 3.82Å; V16-R20 HydrophobicContact CG2-CB 3.76Å; V16-R20 WeakPolarHBondContact O-CD 3.48Å; T17-R20 PolarHBondContact O-NH1 3.36Å; R20-E30 VanDerWaalsContact CD-OE2 3.22Å; R20-E30 WeakPolarHBondContact CD-OE2 3.3Å; R20-E30 IonicContact CZ-OE1 3.87Å; R20-E30 IonicContact NE-OE1 3.73Å; R20-E30 PolarHBondContact NE-OE1 2.89Å; R20-E30 IonicContact NE-OE2 2.97Å; R20-E30 PolarHBondContact NE-OE2 2.98Å; R20-E30 IonicContact NH2-OE1 2.9Å; R20-L31 WeakPolarHBondContact CA-O 3.44Å; R20-V54 HydrophobicContact CG-CB 3.97Å; R20-V54 PolarHBondContact N-O 3.37Å; R20-V54 PolarHBondContact O-N 2.89Å
21L95.8Very high93.7Very high26 Ų2657.2 Ų57.214%0.13632%0.318CS..EExtended strand (participates in β ladder)trans-110.5106177-70.8153.7000107.8L31 F36 Y51 Q53L21-L31 PolarHBondContact N-O 3Å; L21-L31 PolarHBondContact O-N 3.42Å; L21-F36 HydrophobicContact CB-CB 4.44Å; L21-F36 HydrophobicContact CB-CD2 4.31Å; L21-F36 HydrophobicContact CB-CG 4.39Å; L21-F36 HydrophobicContact CD1-CB 3.58Å; L21-F36 HydrophobicContact CD1-CD1 3.46Å; L21-F36 VanDerWaalsContact CD1-CD1 3.46Å; L21-F36 HydrophobicContact CD1-CD2 4.07Å; L21-F36 HydrophobicContact CD1-CE1 4.11Å; L21-F36 HydrophobicContact CD1-CG 3.42Å; L21-F36 VanDerWaalsContact CD1-CG 3.42Å; L21-F36 HydrophobicContact CG-CG 4.43Å; L21-Y51 HydrophobicContact CB-CD1 4.47Å; L21-Q53 HydrophobicContact CD2-CB 4.06Å
22R96.1Very high93.7Very high95 Ų9553.5 Ų53.536%0.35830%0.299SS..EExtended strand (participates in β ladder)trans-87.3126.6179.9177.4-178.4-67.5170.8-7.1109.1T24 I29 E30 Y51 Q52 V54R22-T24 PolarHBondContact O-N 3.42Å; R22-I29 WeakPolarHBondContact CA-O 3.47Å; R22-E30 HydrophobicContact CB-CG 4.31Å; R22-E30 HydrophobicContact CG-CG 4.35Å; R22-E30 IonicContact CZ-OE1 3.31Å; R22-E30 VanDerWaalsContact CZ-OE1 3.25Å; R22-E30 IonicContact NE-OE1 2.81Å; R22-E30 PolarHBondContact NE-OE1 3.46Å; R22-E30 IonicContact NH2-OE1 3.33Å; R22-E30 PolarHBondContact NH2-OE1 3.05Å; R22-Y51 CarbonylContact O-C 3.52Å; R22-Y51 VanDerWaalsContact O-CA 3.26Å; R22-Y51 WeakPolarHBondContact O-CA 3.47Å; R22-Q52 PolarHBondContact N-O 3.2Å; R22-Q52 PolarHBondContact O-N 3.46Å; R22-V54 HydrophobicContact CB-CG2 4.02Å
23C96.4Very high93.7Very high5 Ų552.8 Ų52.83%0.03429%0.293CS..EExtended strand (participates in β ladder)trans-64.3132.4170.7-171.40000109.8D25 C26 I29 H45 G50 Y51C23-D25 VanDerWaalsContact C-N 3.33Å; C23-D25 PolarHBondContact SG-N 2.94Å; C23-C26 HydrophobicContact CB-CB 4.06Å; C23-C26 PolarHBondContact SG-N 3.43Å; C23-C26 VanDerWaalsContact SG-N 3.39Å; C23-I29 HydrophobicContact CB-CB 3.81Å; C23-I29 HydrophobicContact CB-CG2 3.98Å; C23-I29 PolarHBondContact N-O 3.39Å; C23-H45 PolarHBondContact SG-CE1 2.9Å; C23-H45 PolarHBondContact SG-ND1 3.2Å; C23-H45 VanDerWaalsContact SG-ND1 3.37Å; C23-G50 CarbonylContact C-O 3.59Å; C23-G50 WeakPolarHBondContact CA-O 3.32Å; C23-Y51 HydrophobicContact CB-CD1 4.42Å; C23-Y51 HydrophobicContact CB-CE1 4.37Å
24T96.7Very high93.8Very high86 Ų8652.4 Ų52.453%0.52829%0.288SS..SBendtrans-77.6-24.9173.253.20000112.2R22 G50 Q52R22-T24 PolarHBondContact O-N 3.42Å; T24-G50 PolarHBondContact N-O 3.21Å; T24-G50 WeakPolarHBondContact OG1-CA 3.23Å; T24-G50 PolarHBondContact OG1-O 2.83Å; T24-G50 VanDerWaalsContact OG1-O 3.1Å; T24-Q52 HydrophobicContact CG2-CB 4.37Å
25D96.7Very high93.9Very high95 Ų9551 Ų5151%0.50828%0.275SS..SBendtrans-101.3-7.4-168.3-48.1-14.3000113C23 H49 G50C23-D25 VanDerWaalsContact C-N 3.33Å; C23-D25 PolarHBondContact SG-N 2.94Å; D25-H49 HydrophobicContact CB-CB 4.06Å; D25-H49 WeakPolarHBondContact OD2-CA 3.34Å; D25-H49 WeakPolarHBondContact OD2-CB 3.26Å; D25-H49 IonicContact OD2-CD2 3.37Å; D25-H49 IonicContact OD2-CG 3.73Å; D25-G50 PolarHBondContact OD2-N 3.25Å
26C95.3Very high94.1Very high18 Ų1850.8 Ų50.812%0.12227%0.27CS..SBendtrans-130.6128.1-178.9-630000109.6C23 I29 H49C23-C26 HydrophobicContact CB-CB 4.06Å; C23-C26 PolarHBondContact SG-N 3.43Å; C23-C26 VanDerWaalsContact SG-N 3.39Å; C26-I29 HydrophobicContact CB-CB 4.1Å; C26-I29 HydrophobicContact CB-CG1 3.56Å; C26-H49 PolarHBondContact SG-CE1 3.36Å; C26-H49 PolarHBondContact SG-ND1 3.37Å
27P92.1Very high94.3Very high111 Ų11155.1 Ų55.172%0.72130%0.301SS*.THydrogen-bonded Turntrans-62.3143.9172.828.8-34.4000110.1I29P27-I29 PolarHBondContact O-N 2.89Å
28D89.6Confident94.7Very high149 Ų14958.5 Ų58.580%0.79733%0.331SS*.THydrogen-bonded Turntrans57.611.6170.8-51.7-48.1000117.1V10 E30V10-D28 WeakPolarHBondContact CG2-O 3.28Å; D28-E30 PolarHBondContact O-N 3.36Å
29I94.1Very high95.2Very high20 Ų2055.5 Ų55.510%0.10332%0.32CS..  trans-85.5101.6170.8-58.3-61.2000109.9V10 R22 C23 C26 P27 L31 H45V10-I29 HydrophobicContact CG1-CD1 4.16Å; R22-I29 WeakPolarHBondContact CA-O 3.47Å; C23-I29 HydrophobicContact CB-CB 3.81Å; C23-I29 HydrophobicContact CB-CG2 3.98Å; C23-I29 PolarHBondContact N-O 3.39Å; C26-I29 HydrophobicContact CB-CB 4.1Å; C26-I29 HydrophobicContact CB-CG1 3.56Å; P27-I29 PolarHBondContact O-N 2.89Å; I29-L31 HydrophobicContact CG2-CD2 4.38Å; I29-L31 HydrophobicContact CG2-CG 4.23Å; I29-H45 HydrophobicContact CD1-CB 4.44Å; I29-H45 HydrophobicContact CG1-CB 4.23Å
30E94.7Very high95.4Very high20 Ų2053 Ų539%0.09331%0.309CS..EExtended strand (participates in β ladder)trans-116.5123.1169.3-58.3-169.3140.900109.5C9 V10 R20 R22 D28C9-E30 WeakPolarHBondContact CA-O 3.27Å; V10-E30 PolarHBondContact N-O 3.3Å; R20-E30 VanDerWaalsContact CD-OE2 3.22Å; R20-E30 WeakPolarHBondContact CD-OE2 3.3Å; R20-E30 IonicContact CZ-OE1 3.87Å; R20-E30 IonicContact NE-OE1 3.73Å; R20-E30 PolarHBondContact NE-OE1 2.89Å; R20-E30 IonicContact NE-OE2 2.97Å; R20-E30 PolarHBondContact NE-OE2 2.98Å; R20-E30 IonicContact NH2-OE1 2.9Å; R22-E30 HydrophobicContact CB-CG 4.31Å; R22-E30 HydrophobicContact CG-CG 4.35Å; R22-E30 IonicContact CZ-OE1 3.31Å; R22-E30 VanDerWaalsContact CZ-OE1 3.25Å; R22-E30 IonicContact NE-OE1 2.81Å; R22-E30 PolarHBondContact NE-OE1 3.46Å; R22-E30 IonicContact NH2-OE1 3.33Å; R22-E30 PolarHBondContact NH2-OE1 3.05Å; D28-E30 PolarHBondContact O-N 3.36Å
31L96.4Very high95.5Very high0 Ų056.6 Ų56.60%033%0.326CS..EExtended strand (participates in β ladder)trans-111.2147.6-178.5-61.5-179.4000111.6N11 R20 L21 I29 C35 F36 I42 Y51N11-L31 HydrophobicContact CB-CD2 4.2Å; R20-L31 WeakPolarHBondContact CA-O 3.44Å; L21-L31 PolarHBondContact N-O 3Å; L21-L31 PolarHBondContact O-N 3.42Å; I29-L31 HydrophobicContact CG2-CD2 4.38Å; I29-L31 HydrophobicContact CG2-CG 4.23Å; L31-C35 HydrophobicContact CD2-CB 4.49Å; L31-F36 HydrophobicContact CB-CB 4.33Å; L31-F36 HydrophobicContact CD1-CB 4.44Å; L31-I42 HydrophobicContact CD2-CD1 4.31Å; L31-Y51 HydrophobicContact CD1-CE1 4.16Å
32C95.8Very high95.3Very high4 Ų457.6 Ų57.63%0.02733%0.331CS..  trans-72.2157.6164.3720000110.8C9 C12 V16 E34 C35 F36C9-C32 HydrophobicContact CB-CB 3.98Å; C9-C32 PolarHBondContact SG-N 3.29Å; C12-C32 VanDerWaalsContact SG-SG 3.7Å; V16-C32 HydrophobicContact CG1-CB 3.4Å; C32-E34 VanDerWaalsContact CB-OE2 3.31Å; C32-E34 WeakPolarHBondContact CB-OE2 3.14Å; C32-E34 PolarHBondContact O-N 2.79Å; C32-E34 PolarHBondContact SG-OE2 3.29Å; C32-C35 PolarHBondContact O-N 3.35Å; C32-C35 VanDerWaalsContact O-N 3.17Å; C32-C35 PolarHBondContact SG-N 2.89Å; C32-C35 PolarHBondContact SG-SG 2.9Å; C32-F36 PolarHBondContact O-N 3.18Å
33P95.4Very high95.1Very high45 Ų4556.1 Ų56.129%0.29235%0.345SS..Hα-helixtrans-53.4-34.8178-27.136.3000114L19 S37L19-P33 HydrophobicContact CD2-CG 3.97Å; L19-P33 HydrophobicContact CG-CG 4.22Å; P33-S37 VanDerWaalsContact O-CB 3.31Å; P33-S37 WeakPolarHBondContact O-CB 3.38Å; P33-S37 PolarHBondContact O-N 3.1Å; P33-S37 PolarHBondContact O-OG 3.47Å
34E97.3Very high94.9Very high125 Ų12562.9 Ų62.958%0.58438%0.381SS*.Hα-helixtrans-71-43.2-180-55.473.2-160.100111.6C32 S37 A38C32-E34 VanDerWaalsContact CB-OE2 3.31Å; C32-E34 WeakPolarHBondContact CB-OE2 3.14Å; C32-E34 PolarHBondContact O-N 2.79Å; C32-E34 PolarHBondContact SG-OE2 3.29Å; E34-S37 WeakPolarHBondContact CA-OG 3.44Å; E34-S37 PolarHBondContact O-OG 3.01Å; E34-A38 WeakPolarHBondContact O-CB 3.43Å; E34-A38 PolarHBondContact O-N 3.47Å
35C97Very high94.9Very high12 Ų1258.9 Ų58.98%0.08136%0.356CS..Hα-helixtrans-73-34.4178.6-70.10000111.9N11 L31 C32 G39 A40N11-C35 HydrophobicContact CB-CB 4.04Å; N11-C35 PolarHBondContact ND2-SG 3.5Å; L31-C35 HydrophobicContact CD2-CB 4.49Å; C32-C35 PolarHBondContact O-N 3.35Å; C32-C35 VanDerWaalsContact O-N 3.17Å; C32-C35 PolarHBondContact SG-N 2.89Å; C32-C35 PolarHBondContact SG-SG 2.9Å; C35-G39 PolarHBondContact O-N 2.93Å; C35-A40 HydrophobicContact CB-CB 4.13Å; C35-A40 VanDerWaalsContact O-CB 3.23Å; C35-A40 WeakPolarHBondContact O-CB 3.38Å; C35-A40 PolarHBondContact O-N 3.2Å
36F97Very high94.9Very high78 Ų7858.1 Ų58.134%0.34235%0.346SS..Hα-helixtrans-64.3-50.2171.6171.5-97.1000111.8L21 L31 C32 A38 G39 Y51L21-F36 HydrophobicContact CB-CB 4.44Å; L21-F36 HydrophobicContact CB-CD2 4.31Å; L21-F36 HydrophobicContact CB-CG 4.39Å; L21-F36 HydrophobicContact CD1-CB 3.58Å; L21-F36 HydrophobicContact CD1-CD1 3.46Å; L21-F36 VanDerWaalsContact CD1-CD1 3.46Å; L21-F36 HydrophobicContact CD1-CD2 4.07Å; L21-F36 HydrophobicContact CD1-CE1 4.11Å; L21-F36 HydrophobicContact CD1-CG 3.42Å; L21-F36 VanDerWaalsContact CD1-CG 3.42Å; L21-F36 HydrophobicContact CG-CG 4.43Å; L31-F36 HydrophobicContact CB-CB 4.33Å; L31-F36 HydrophobicContact CD1-CB 4.44Å; C32-F36 PolarHBondContact O-N 3.18Å; F36-A38 VanDerWaalsContact C-N 3.31Å; F36-A38 PolarHBondContact O-N 3.43Å; F36-G39 WeakPolarHBondContact O-CA 3.41Å; F36-G39 PolarHBondContact O-N 3.12Å; F36-Y51 AromaticContact CD2-CD1 4Å; F36-Y51 HydrophobicContact CD2-CD1 4Å; F36-Y51 HydrophobicContact CD2-CD2 4.34Å; F36-Y51 AromaticContact CD2-CE1 3.87Å; F36-Y51 HydrophobicContact CD2-CE1 3.87Å; F36-Y51 HydrophobicContact CD2-CE2 4.2Å; F36-Y51 HydrophobicContact CD2-CG 4.22Å; F36-Y51 AromaticContact CD2-CZ 3.96Å; F36-Y51 AromaticContact CE2-CD1 3.98Å; F36-Y51 HydrophobicContact CE2-CD1 3.98Å; F36-Y51 AromaticContact CE2-CD2 3.57Å; F36-Y51 HydrophobicContact CE2-CD2 3.57Å; F36-Y51 HydrophobicContact CE2-CE1 4.07Å; F36-Y51 AromaticContact CE2-CE2 3.65Å; F36-Y51 HydrophobicContact CE2-CE2 3.65Å; F36-Y51 AromaticContact CE2-CG 3.72Å; F36-Y51 HydrophobicContact CE2-CG 3.72Å; F36-Y51 AromaticContact CE2-CZ 3.9Å
37S96.4Very high94.9Very high98 Ų9864.4 Ų64.469%0.68537%0.367SS*.Hα-helixtrans-67.8-29.3-180550000113.2P33 E34 G39P33-S37 VanDerWaalsContact O-CB 3.31Å; P33-S37 WeakPolarHBondContact O-CB 3.38Å; P33-S37 PolarHBondContact O-N 3.1Å; P33-S37 PolarHBondContact O-OG 3.47Å; E34-S37 WeakPolarHBondContact CA-OG 3.44Å; E34-S37 PolarHBondContact O-OG 3.01Å; S37-G39 PolarHBondContact O-N 3.16Å
38A96.8Very high95.1Very high86 Ų8666.9 Ų66.971%0.71136%0.363SS*.THydrogen-bonded Turntrans-72-7.7168.100000114.1E34 F36E34-A38 WeakPolarHBondContact O-CB 3.43Å; E34-A38 PolarHBondContact O-N 3.47Å; F36-A38 VanDerWaalsContact C-N 3.31Å; F36-A38 PolarHBondContact O-N 3.43Å
39G95.6Very high95.5Very high23 Ų2361.8 Ų61.824%0.23733%0.334CS..THydrogen-bonded Turntrans70.337.6179.400000114C35 F36 S37 E41C35-G39 PolarHBondContact O-N 2.93Å; F36-G39 WeakPolarHBondContact O-CA 3.41Å; F36-G39 PolarHBondContact O-N 3.12Å; S37-G39 PolarHBondContact O-N 3.16Å; G39-E41 PolarHBondContact O-N 3.06Å
40A95.8Very high95.6Very high15 Ų1562.2 Ų62.212%0.12434%0.343CS..  trans-60.9130.1-177.800000112.9N11 C35N11-A40 HydrophobicContact CB-CB 4.39Å; C35-A40 HydrophobicContact CB-CB 4.13Å; C35-A40 VanDerWaalsContact O-CB 3.23Å; C35-A40 WeakPolarHBondContact O-CB 3.38Å; C35-A40 PolarHBondContact O-N 3.2Å
41E95.6Very high95.7Very high77 Ų7763.8 Ų63.836%0.3635%0.349SS..  trans-119.5131.6178.2-58-166.4162.500109.8G39 R46 R47 W48G39-E41 PolarHBondContact O-N 3.06Å; E41-R46 WeakPolarHBondContact OE2-CD 3.49Å; E41-R46 IonicContact OE2-NE 2.71Å; E41-R47 HydrophobicContact CG-CB 4.2Å; E41-R47 WeakPolarHBondContact OE1-CG 3.35Å; E41-R47 PolarHBondContact OE1-N 2.77Å; E41-R47 IonicContact OE1-NH1 3.17Å; E41-W48 WeakPolarHBondContact OE1-CZ3 3.05Å
42I91.5Very high95.6Very high48 Ų4868.8 Ų68.825%0.24637%0.372CS..  trans-134.9116.1-171.6-51.5175.1000109.4V10 N11 L31 N44 H45V10-I42 HydrophobicContact CB-CD1 4.18Å; V10-I42 HydrophobicContact CG1-CD1 3.91Å; N11-I42 HydrophobicContact CB-CD1 3.82Å; L31-I42 HydrophobicContact CD2-CD1 4.31Å; I42-N44 PolarHBondContact O-N 2.86Å; I42-H45 VanDerWaalsContact O-CB 3.24Å; I42-H45 WeakPolarHBondContact O-CB 3.39Å; I42-H45 PolarHBondContact O-N 2.74Å
43G90.9Very high95.5Very high64 Ų6474.9 Ų74.966%0.6640%0.4SS*.THydrogen-bonded Turntrans58.5-110.4-179.900000112.1R46G43-R46 PolarHBondContact O-NH1 2.91Å
44N92.9Very high95.3Very high146 Ų14674 Ų7478%0.78139%0.394SS*.THydrogen-bonded Turntrans-91.6-8.7176.7-67-16.4000113.9I42I42-N44 PolarHBondContact O-N 2.86Å
45H96.2Very high94.8Very high2 Ų271.4 Ų71.41%0.00938%0.384CS..  trans-69.7141.3175.5-176.762.4000111.3C23 I29 I42 H49 Y51C23-H45 PolarHBondContact SG-CE1 2.9Å; C23-H45 PolarHBondContact SG-ND1 3.2Å; C23-H45 VanDerWaalsContact SG-ND1 3.37Å; I29-H45 HydrophobicContact CD1-CB 4.44Å; I29-H45 HydrophobicContact CG1-CB 4.23Å; I42-H45 VanDerWaalsContact O-CB 3.24Å; I42-H45 WeakPolarHBondContact O-CB 3.39Å; I42-H45 PolarHBondContact O-N 2.74Å; H45-H49 AromaticContact ND1-ND1 3.66Å; H45-Y51 AromaticContact CE1-CE1 3.5Å; H45-Y51 VanDerWaalsContact CE1-CE1 3.5Å; H45-Y51 WeakPolarHBondContact CE1-CE1 3.22Å; H45-Y51 AromaticContact CE1-CZ 3.48Å; H45-Y51 VanDerWaalsContact CE1-CZ 3.48Å; H45-Y51 PolarHBondContact CE1-OH 2.84Å; H45-Y51 AromaticContact NE2-CE1 3.63Å; H45-Y51 AromaticContact NE2-CZ 3.57Å; H45-Y51 PolarHBondContact NE2-OH 3.36Å
46R96.8Very high94.1Very high79 Ų7971.3 Ų71.330%0.29839%0.385SS..  trans-134.5148.3177.3-62.6-67.1180-88.9-0110.5E41 G43 W48 H49 Y51E41-R46 WeakPolarHBondContact OE2-CD 3.49Å; E41-R46 IonicContact OE2-NE 2.71Å; G43-R46 PolarHBondContact O-NH1 2.91Å; R46-W48 HydrophobicContact CB-CD2 3.74Å; R46-W48 VanDerWaalsContact CB-CE2 3.4Å; R46-W48 HydrophobicContact CB-CE3 4.15Å; R46-W48 HydrophobicContact CB-CG 4.26Å; R46-W48 HydrophobicContact CB-CH2 4.04Å; R46-W48 HydrophobicContact CB-CZ2 3.61Å; R46-W48 HydrophobicContact CB-CZ3 4.27Å; R46-W48 HydrophobicContact CG-CH2 3.92Å; R46-W48 HydrophobicContact CG-CZ2 3.46Å; R46-W48 VanDerWaalsContact CG-CZ2 3.46Å; R46-W48 PolarHBondContact O-N 3.32Å; R46-H49 WeakPolarHBondContact O-CB 3.39Å; R46-H49 PolarHBondContact O-N 3.13Å; R46-H49 VanDerWaalsContact O-N 3.11Å; R46-Y51 PolarHBondContact O-OH 3.46Å
47R95.8Very high93.5Very high150 Ų15068.2 Ų68.257%0.56638%0.375SS*.THydrogen-bonded Turntrans-66.1-8.8-173.678-176.6-162.8-76.1-5115E41 Y51E41-R47 HydrophobicContact CG-CB 4.2Å; E41-R47 WeakPolarHBondContact OE1-CG 3.35Å; E41-R47 PolarHBondContact OE1-N 2.77Å; E41-R47 IonicContact OE1-NH1 3.17Å; R47-Y51 WeakPolarHBondContact CA-OH 3.33Å
48W95.4Very high92.8Very high164 Ų16468.2 Ų68.262%0.62137%0.367SS*.THydrogen-bonded Turntrans-103.96.7-179.358.173.5000113.5E41 R46E41-W48 WeakPolarHBondContact OE1-CZ3 3.05Å; R46-W48 HydrophobicContact CB-CD2 3.74Å; R46-W48 VanDerWaalsContact CB-CE2 3.4Å; R46-W48 HydrophobicContact CB-CE3 4.15Å; R46-W48 HydrophobicContact CB-CG 4.26Å; R46-W48 HydrophobicContact CB-CH2 4.04Å; R46-W48 HydrophobicContact CB-CZ2 3.61Å; R46-W48 HydrophobicContact CB-CZ3 4.27Å; R46-W48 HydrophobicContact CG-CH2 3.92Å; R46-W48 HydrophobicContact CG-CZ2 3.46Å; R46-W48 VanDerWaalsContact CG-CZ2 3.46Å; R46-W48 PolarHBondContact O-N 3.32Å
49H97.3Very high92.2Very high41 Ų4169.1 Ų69.119%0.1936%0.355CS..SBendtrans-65.9164.4169.4-71.3-176.5000111.1D25 C26 H45 R46 Y51D25-H49 HydrophobicContact CB-CB 4.06Å; D25-H49 WeakPolarHBondContact OD2-CA 3.34Å; D25-H49 WeakPolarHBondContact OD2-CB 3.26Å; D25-H49 IonicContact OD2-CD2 3.37Å; D25-H49 IonicContact OD2-CG 3.73Å; C26-H49 PolarHBondContact SG-CE1 3.36Å; C26-H49 PolarHBondContact SG-ND1 3.37Å; H45-H49 AromaticContact ND1-ND1 3.66Å; R46-H49 WeakPolarHBondContact O-CB 3.39Å; R46-H49 PolarHBondContact O-N 3.13Å; R46-H49 VanDerWaalsContact O-N 3.11Å; H49-Y51 HydrophobicContact CB-CE2 4.49Å; H49-Y51 WeakPolarHBondContact O-CD2 3.28Å; H49-Y51 WeakPolarHBondContact O-CE2 3.24Å
50G96.8Very high91.9Very high29 Ų2969.8 Ų69.830%0.29936%0.356SS..  trans-68.6149.8168.100000111.6C23 T24 D25C23-G50 CarbonylContact C-O 3.59Å; C23-G50 WeakPolarHBondContact CA-O 3.32Å; T24-G50 PolarHBondContact N-O 3.21Å; T24-G50 WeakPolarHBondContact OG1-CA 3.23Å; T24-G50 PolarHBondContact OG1-O 2.83Å; T24-G50 VanDerWaalsContact OG1-O 3.1Å; D25-G50 PolarHBondContact OD2-N 3.25Å
51Y96.4Very high91.3Very high53 Ų5373.2 Ų73.221%0.20837%0.372CS..EExtended strand (participates in β ladder)trans-136.8145.9176.7-62.8-97.5000111.5L21 R22 C23 L31 F36 H45 R46 R47 H49L21-Y51 HydrophobicContact CB-CD1 4.47Å; R22-Y51 CarbonylContact O-C 3.52Å; R22-Y51 VanDerWaalsContact O-CA 3.26Å; R22-Y51 WeakPolarHBondContact O-CA 3.47Å; C23-Y51 HydrophobicContact CB-CD1 4.42Å; C23-Y51 HydrophobicContact CB-CE1 4.37Å; L31-Y51 HydrophobicContact CD1-CE1 4.16Å; F36-Y51 AromaticContact CD2-CD1 4Å; F36-Y51 HydrophobicContact CD2-CD1 4Å; F36-Y51 HydrophobicContact CD2-CD2 4.34Å; F36-Y51 AromaticContact CD2-CE1 3.87Å; F36-Y51 HydrophobicContact CD2-CE1 3.87Å; F36-Y51 HydrophobicContact CD2-CE2 4.2Å; F36-Y51 HydrophobicContact CD2-CG 4.22Å; F36-Y51 AromaticContact CD2-CZ 3.96Å; F36-Y51 AromaticContact CE2-CD1 3.98Å; F36-Y51 HydrophobicContact CE2-CD1 3.98Å; F36-Y51 AromaticContact CE2-CD2 3.57Å; F36-Y51 HydrophobicContact CE2-CD2 3.57Å; F36-Y51 HydrophobicContact CE2-CE1 4.07Å; F36-Y51 AromaticContact CE2-CE2 3.65Å; F36-Y51 HydrophobicContact CE2-CE2 3.65Å; F36-Y51 AromaticContact CE2-CG 3.72Å; F36-Y51 HydrophobicContact CE2-CG 3.72Å; F36-Y51 AromaticContact CE2-CZ 3.9Å; H45-Y51 AromaticContact CE1-CE1 3.5Å; H45-Y51 VanDerWaalsContact CE1-CE1 3.5Å; H45-Y51 WeakPolarHBondContact CE1-CE1 3.22Å; H45-Y51 AromaticContact CE1-CZ 3.48Å; H45-Y51 VanDerWaalsContact CE1-CZ 3.48Å; H45-Y51 PolarHBondContact CE1-OH 2.84Å; H45-Y51 AromaticContact NE2-CE1 3.63Å; H45-Y51 AromaticContact NE2-CZ 3.57Å; H45-Y51 PolarHBondContact NE2-OH 3.36Å; R46-Y51 PolarHBondContact O-OH 3.46Å; R47-Y51 WeakPolarHBondContact CA-OH 3.33Å; H49-Y51 HydrophobicContact CB-CE2 4.49Å; H49-Y51 WeakPolarHBondContact O-CD2 3.28Å; H49-Y51 WeakPolarHBondContact O-CE2 3.24Å
52Q95.5Very high90.7Very high106 Ų10674.3 Ų74.350%0.49537%0.373SS..EExtended strand (participates in β ladder)trans-111.9127.2169.8-175.6-179.628.700108.9R22 T24 V54R22-Q52 PolarHBondContact N-O 3.2Å; R22-Q52 PolarHBondContact O-N 3.46Å; T24-Q52 HydrophobicContact CG2-CB 4.37Å; Q52-V54 HydrophobicContact CG-CG2 4.38Å
53Q93.4Very high90Very high131 Ų13173.3 Ų73.361%0.61237%0.374SS*.EExtended strand (participates in β ladder)trans-72.3129.1166.6-176.9176.9-13.800109.2L19 L21L19-Q53 HydrophobicContact CD1-CG 3.75Å; L21-Q53 HydrophobicContact CD2-CB 4.06Å
54V91.1Very high88.9Confident26 Ų2676.7 Ų76.716%0.15838%0.384CS..EExtended strand (participates in β ladder)trans-121.7113.1177.2-170.10000108.6R20 R22 Q52R20-V54 HydrophobicContact CG-CB 3.97Å; R20-V54 PolarHBondContact N-O 3.37Å; R20-V54 PolarHBondContact O-N 2.89Å; R22-V54 HydrophobicContact CB-CG2 4.02Å; Q52-V54 HydrophobicContact CG-CG2 4.38Å
55D85.8Confident87.6Confident71 Ų7178.9 Ų78.938%0.3839%0.39SS..EExtended strand (participates in β ladder)trans-88150.1176-162.7-67.8000110.5G57 L58D55-G57 VanDerWaalsContact C-N 3.3Å; D55-G57 WeakPolarHBondContact OD1-CA 3.5Å; D55-G57 PolarHBondContact OD1-N 3.08Å; D55-L58 PolarHBondContact OD1-N 3.29Å
56G82.6Confident86.2Confident11 Ų1180.2 Ų80.211%0.11340%0.401CS..  trans-831.9175.300000114.8N18N18-G56 PolarHBondContact O-N 2.98Å
57G84.6Confident84.6Confident12 Ų1285.1 Ų85.112%0.12443%0.428CS..SBendtrans85.42718000000114D55 T71 S72 R73D55-G57 VanDerWaalsContact C-N 3.3Å; D55-G57 WeakPolarHBondContact OD1-CA 3.5Å; D55-G57 PolarHBondContact OD1-N 3.08Å; G57-T71 WeakPolarHBondContact O-CB 3.45Å; G57-S72 PolarHBondContact O-N 2.81Å; G57-S72 VanDerWaalsContact O-N 3.14Å; G57-R73 PolarHBondContact O-N 3.24Å
58L82.7Confident83.5Confident98 Ų9880.5 Ų80.551%0.51343%0.426SS..  trans-82.9-6.4-174.8-68.2179.6000114.6N18 D55N18-L58 HydrophobicContact CB-CD1 3.83Å; D55-L58 PolarHBondContact OD1-N 3.29Å
59F84.3Confident83Confident106 Ų10675 Ų7547%0.46542%0.421SS..SBendtrans-80.7153175.966.2-84.7000111.6L61 T71 S72F59-L61 HydrophobicContact CE2-CD2 3.8Å; F59-L61 HydrophobicContact CE2-CG 4.5Å; F59-L61 HydrophobicContact CZ-CD2 4.45Å; F59-T71 CarbonylContact O-C 3.53Å; F59-S72 WeakPolarHBondContact O-CB 3.36Å; F59-S72 PolarHBondContact O-N 3.23Å
60S87.9Confident82.7Confident36 Ų3673.6 Ų73.625%0.25241%0.414SS..  trans-82.5134.4172.3165.70000111.2W62 G63 W70S60-W62 PolarHBondContact OG-N 3.04Å; S60-G63 WeakPolarHBondContact CB-O 3.47Å; S60-G63 PolarHBondContact OG-N 2.66Å; S60-G63 PolarHBondContact OG-O 2.62Å; S60-W70 WeakPolarHBondContact CA-O 3.32Å; S60-W70 WeakPolarHBondContact CB-O 3.43Å
61L84.3Confident82.3Confident88 Ų8873.6 Ų73.646%0.46141%0.408SS..SBendtrans-72.4-31.9174.8-73.5172.4000112.8F59 E75F59-L61 HydrophobicContact CE2-CD2 3.8Å; F59-L61 HydrophobicContact CE2-CG 4.5Å; F59-L61 HydrophobicContact CZ-CD2 4.45Å; L61-E75 HydrophobicContact CD1-CB 3.81Å; L61-E75 HydrophobicContact CD1-CG 3.98Å
62W82.9Confident81.9Confident100 Ų10072.1 Ų72.138%0.37941%0.406SS..SBendtrans-96.24.6-173.8-50.8109.6000113.3S60 A66 E75 M113S60-W62 PolarHBondContact OG-N 3.04Å; W62-A66 HydrophobicContact CB-CB 3.54Å; W62-E75 PolarHBondContact NE1-OE1 3Å; W62-M113 HydrophobicContact CB-CE 3.84Å; W62-M113 HydrophobicContact CD2-CE 3.42Å; W62-M113 VanDerWaalsContact CD2-CE 3.42Å; W62-M113 HydrophobicContact CE3-CE 3.92Å; W62-M113 HydrophobicContact CG-CE 3.35Å; W62-M113 HydrophobicContact CZ2-CB 4.45Å
63G76.3Confident81.6Confident26 Ų2672 Ų7227%0.26840%0.401SS..  trans96.3169.6-178.900000113.7S60 E65 A66S60-G63 WeakPolarHBondContact CB-O 3.47Å; S60-G63 PolarHBondContact OG-N 2.66Å; S60-G63 PolarHBondContact OG-O 2.62Å; G63-E65 VanDerWaalsContact C-N 3.27Å; G63-E65 PolarHBondContact O-N 2.91Å; G63-A66 PolarHBondContact O-N 3.47Å
64P67.4Low81.5Confident136 Ų13666.8 Ų66.888%0.88338%0.377SS*.THydrogen-bonded Turntrans-74.3-14.7-17630.7-35.9000114
65E66.8Low81.6Confident191 Ų19165.6 Ų65.689%0.89337%0.369SS*.THydrogen-bonded Turntrans-94.9-5.1177.9-63.1-179.3-176.300112.9G63G63-E65 VanDerWaalsContact C-N 3.27Å; G63-E65 PolarHBondContact O-N 2.91Å
66A65.6Low81.9Confident30 Ų3067 Ų6725%0.24837%0.374CS..SBendtrans-70134.7176.900000111.1W62 G63W62-A66 HydrophobicContact CB-CB 3.54Å; G63-A66 PolarHBondContact O-N 3.47Å
67E64.5Low82.3Confident183 Ų18367.8 Ų67.886%0.85538%0.377SS*.G310 helixtrans-60.8149.5-174.2-65.9-174.5152.400112.7G69E67-G69 PolarHBondContact O-N 3.28Å; E67-G69 VanDerWaalsContact O-N 3.16Å
68G72.4Confident82.8Confident52 Ų5267.2 Ų67.254%0.53637%0.371SS..G310 helixtrans76.1-7.8175.900000116.3W70 R101G68-W70 VanDerWaalsContact C-N 3.32Å; G68-W70 PolarHBondContact O-N 3.05Å; G68-R101 PolarHBondContact O-NH1 2.87Å; G68-R101 PolarHBondContact O-NH2 2.93Å; G68-R101 VanDerWaalsContact O-NH2 3.14Å
69G84.7Confident83.4Confident50 Ų5065.8 Ų65.852%0.51536%0.364SS..G310 helixtrans60.837.9172.900000114E67 T71 R101E67-G69 PolarHBondContact O-N 3.28Å; E67-G69 VanDerWaalsContact O-N 3.16Å; G69-T71 PolarHBondContact O-N 2.95Å; G69-R101 PolarHBondContact O-NH2 3.34Å
70W90Very high83.8Confident10 Ų1063.4 Ų63.44%0.03836%0.356CS..  trans-64126.6-179.4-76.782.3000112.1S60 G68 E74 E75 L78 V97 R101 V106 H109S60-W70 WeakPolarHBondContact CA-O 3.32Å; S60-W70 WeakPolarHBondContact CB-O 3.43Å; G68-W70 VanDerWaalsContact C-N 3.32Å; G68-W70 PolarHBondContact O-N 3.05Å; W70-E74 HydrophobicContact CE3-CB 3.74Å; W70-E74 HydrophobicContact CZ3-CB 4.08Å; W70-E75 HydrophobicContact CB-CG 4.32Å; W70-L78 HydrophobicContact CH2-CD2 4.27Å; W70-L78 HydrophobicContact CZ3-CD2 4.01Å; W70-V97 HydrophobicContact CH2-CG1 4.32Å; W70-V97 HydrophobicContact CZ3-CG1 3.93Å; W70-R101 HydrophobicContact CH2-CG 4.03Å; W70-R101 HydrophobicContact CZ2-CG 4.31Å; W70-R101 HydrophobicContact CZ3-CG 4.42Å; W70-V106 HydrophobicContact CH2-CG2 3.99Å; W70-H109 AromaticContact CD1-CE1 3.49Å; W70-H109 VanDerWaalsContact CD1-CE1 3.49Å; W70-H109 AromaticContact CD1-CG 3.84Å; W70-H109 AromaticContact CD1-ND1 3.4Å; W70-H109 AromaticContact CD2-CD2 3.5Å; W70-H109 VanDerWaalsContact CD2-CD2 3.5Å; W70-H109 AromaticContact CD2-CE1 3.82Å; W70-H109 AromaticContact CD2-CG 3.78Å; W70-H109 AromaticContact CD2-NE2 3.54Å; W70-H109 AromaticContact CE2-CD2 3.49Å; W70-H109 VanDerWaalsContact CE2-CD2 3.49Å; W70-H109 AromaticContact CE2-CG 3.35Å; W70-H109 AromaticContact CE2-ND1 3.79Å; W70-H109 AromaticContact CE2-NE2 3.96Å; W70-H109 AromaticContact CE3-CD2 3.73Å; W70-H109 AromaticContact CE3-NE2 3.83Å; W70-H109 AromaticContact CG-CE1 3.47Å; W70-H109 VanDerWaalsContact CG-CE1 3.47Å; W70-H109 AromaticContact CG-ND1 3.82Å; W70-H109 AromaticContact CG-NE2 3.62Å; W70-H109 HydrophobicContact CH2-CB 4.3Å; W70-H109 AromaticContact CH2-CD2 3.96Å; W70-H109 HydrophobicContact CZ2-CB 3.51Å; W70-H109 AromaticContact CZ2-CD2 3.75Å; W70-H109 AromaticContact CZ2-CG 3.68Å; W70-H109 AromaticContact CZ3-CD2 3.95Å; W70-H109 AromaticContact NE1-CD2 3.93Å; W70-H109 AromaticContact NE1-CE1 3.86Å; W70-H109 AromaticContact NE1-CG 3.4Å; W70-H109 AromaticContact NE1-ND1 3.39Å; W70-H109 PolarHBondContact NE1-ND1 3.13Å
71T89.6Confident84.1Confident29 Ų2961.7 Ų61.718%0.17834%0.344CS..  trans-86.2149.1177.362.30000111.1G57 F59 G69 R73 E74 E75G57-T71 WeakPolarHBondContact O-CB 3.45Å; F59-T71 CarbonylContact O-C 3.53Å; G69-T71 PolarHBondContact O-N 2.95Å; T71-R73 PolarHBondContact O-N 3.04Å; T71-E74 PolarHBondContact N-OE2 2.99Å; T71-E74 WeakPolarHBondContact O-CA 3.34Å; T71-E74 WeakPolarHBondContact O-CB 3.42Å; T71-E74 PolarHBondContact O-N 2.7Å; T71-E74 VanDerWaalsContact OG1-CG 3.28Å; T71-E74 WeakPolarHBondContact OG1-CG 3.47Å; T71-E74 PolarHBondContact OG1-N 2.84Å; T71-E74 PolarHBondContact OG1-OE2 3.19Å; T71-E75 VanDerWaalsContact O-CG 3.29Å; T71-E75 WeakPolarHBondContact O-CG 3.26Å; T71-E75 PolarHBondContact O-N 3.49Å
72S88.4Confident84.5Confident23 Ų2358.7 Ų58.716%0.16133%0.328CS..Hα-helixtrans-55.8-25.1176.8-175.90000113G57 F59 Q76G57-S72 PolarHBondContact O-N 2.81Å; G57-S72 VanDerWaalsContact O-N 3.14Å; F59-S72 WeakPolarHBondContact O-CB 3.36Å; F59-S72 PolarHBondContact O-N 3.23Å; S72-Q76 PolarHBondContact O-N 3.14Å; S72-Q76 VanDerWaalsContact O-N 3.11Å
73R87.8Confident84.9Confident104 Ų10461.3 Ų61.339%0.39234%0.344SS..Hα-helixtrans-73.4-43.7172.2-175.2174.5178.8165.12.6112.6D3 G57 T71 E75 Q76 S77D3-R73 IonicContact OD1-NH2 2.72Å; D3-R73 PolarHBondContact OD1-NH2 2.68Å; D3-R73 VanDerWaalsContact OD1-NH2 3.1Å; G57-R73 PolarHBondContact O-N 3.24Å; T71-R73 PolarHBondContact O-N 3.04Å; R73-E75 VanDerWaalsContact C-N 3.32Å; R73-Q76 PolarHBondContact O-N 3.27Å; R73-S77 WeakPolarHBondContact O-CB 3.43Å; R73-S77 PolarHBondContact O-N 2.86Å
74E92Very high85.4Confident21 Ų2166.1 Ų66.110%0.09836%0.36CS..Hα-helixtrans-63-40.2173.2-72.5169.1129.200111W70 T71 S77 L78 V97 S100 R101W70-E74 HydrophobicContact CE3-CB 3.74Å; W70-E74 HydrophobicContact CZ3-CB 4.08Å; T71-E74 PolarHBondContact N-OE2 2.99Å; T71-E74 WeakPolarHBondContact O-CA 3.34Å; T71-E74 WeakPolarHBondContact O-CB 3.42Å; T71-E74 PolarHBondContact O-N 2.7Å; T71-E74 VanDerWaalsContact OG1-CG 3.28Å; T71-E74 WeakPolarHBondContact OG1-CG 3.47Å; T71-E74 PolarHBondContact OG1-N 2.84Å; T71-E74 PolarHBondContact OG1-OE2 3.19Å; E74-S77 PolarHBondContact O-N 3.4Å; E74-L78 WeakPolarHBondContact O-CB 3.49Å; E74-L78 PolarHBondContact O-N 3.02Å; E74-V97 HydrophobicContact CB-CG1 4.19Å; E74-V97 HydrophobicContact CG-CG1 4.32Å; E74-S100 PolarHBondContact OE1-OG 3.48Å; E74-R101 IonicContact OE1-CZ 3.89Å; E74-R101 IonicContact OE1-NE 2.93Å; E74-R101 PolarHBondContact OE1-NE 3.32Å; E74-R101 IonicContact OE1-NH2 3.84Å; E74-R101 PolarHBondContact OE1-NH2 3.44Å; E74-R101 IonicContact OE2-CZ 2.78Å; E74-R101 IonicContact OE2-NE 3.26Å; E74-R101 IonicContact OE2-NH2 3.44Å; E74-R101 PolarHBondContact OE2-NH2 2.96Å
75E92.6Very high86.4Confident1 Ų163.6 Ų63.61%0.00533%0.334CS..Hα-helixtrans-62.7-42.8176.4-63-77.8-155.200112.2L61 W62 W70 T71 R73 L78 L79 H109 Y114L61-E75 HydrophobicContact CD1-CB 3.81Å; L61-E75 HydrophobicContact CD1-CG 3.98Å; W62-E75 PolarHBondContact NE1-OE1 3Å; W70-E75 HydrophobicContact CB-CG 4.32Å; T71-E75 VanDerWaalsContact O-CG 3.29Å; T71-E75 WeakPolarHBondContact O-CG 3.26Å; T71-E75 PolarHBondContact O-N 3.49Å; R73-E75 VanDerWaalsContact C-N 3.32Å; E75-L78 PolarHBondContact O-N 3.46Å; E75-L79 WeakPolarHBondContact O-CG 3.48Å; E75-L79 PolarHBondContact O-N 2.89Å; E75-L79 VanDerWaalsContact O-N 3.14Å; E75-H109 IonicContact OE1-CE1 3.73Å; E75-H109 PolarHBondContact OE1-CE1 3.34Å; E75-H109 VanDerWaalsContact OE1-CE1 3.22Å; E75-H109 IonicContact OE1-NE2 3.52Å; E75-H109 PolarHBondContact OE1-NE2 2.67Å; E75-H109 IonicContact OE2-CD2 2.88Å; E75-H109 IonicContact OE2-CE1 3.1Å; E75-H109 IonicContact OE2-NE2 2.93Å; E75-H109 PolarHBondContact OE2-NE2 2.75Å; E75-Y114 PolarHBondContact OE2-OH 3.43Å; E75-Y114 VanDerWaalsContact OE2-OH 3.04Å
76Q91.7Very high87.4Confident100 Ų10056 Ų5647%0.46731%0.306SS..Hα-helixtrans-65.9-43173.3-176.4170.817.500111.5S72 R73 L78 L79 D80S72-Q76 PolarHBondContact O-N 3.14Å; S72-Q76 VanDerWaalsContact O-N 3.11Å; R73-Q76 PolarHBondContact O-N 3.27Å; Q76-L78 VanDerWaalsContact C-N 3.26Å; Q76-L78 PolarHBondContact O-N 3.02Å; Q76-L79 PolarHBondContact O-N 2.94Å; Q76-L79 VanDerWaalsContact O-N 3.17Å; Q76-D80 PolarHBondContact O-N 3.18Å
77S92.8Very high88.4Confident27 Ų2760.9 Ų60.919%0.18932%0.322CS..Hα-helixtrans-62.3-35.6177.6-1550000111.9R73 E74 A81 H96R73-S77 WeakPolarHBondContact O-CB 3.43Å; R73-S77 PolarHBondContact O-N 2.86Å; E74-S77 PolarHBondContact O-N 3.4Å; S77-A81 WeakPolarHBondContact O-CB 3.47Å; S77-A81 PolarHBondContact O-N 3.23Å; S77-H96 PolarHBondContact OG-O 3.29Å; S77-H96 VanDerWaalsContact OG-O 3.06Å
78L94.8Very high89.5Confident0 Ų054.2 Ų54.20%030%0.302CS..Hα-helixtrans-65-39.7174.6176.656.9000112.2W70 E74 E75 Q76 A81 I82 M93 V97 V106 Y110 Y114W70-L78 HydrophobicContact CH2-CD2 4.27Å; W70-L78 HydrophobicContact CZ3-CD2 4.01Å; E74-L78 WeakPolarHBondContact O-CB 3.49Å; E74-L78 PolarHBondContact O-N 3.02Å; E75-L78 PolarHBondContact O-N 3.46Å; Q76-L78 VanDerWaalsContact C-N 3.26Å; Q76-L78 PolarHBondContact O-N 3.02Å; L78-A81 PolarHBondContact O-N 3.09Å; L78-I82 PolarHBondContact O-N 3.01Å; L78-M93 HydrophobicContact CD1-CE 3.51Å; L78-V97 HydrophobicContact CB-CG2 3.9Å; L78-V97 HydrophobicContact CD1-CG2 4.11Å; L78-V106 HydrophobicContact CD1-CG1 3.69Å; L78-Y110 HydrophobicContact CD1-CD2 4.43Å; L78-Y110 HydrophobicContact CD2-CD2 4.19Å; L78-Y110 HydrophobicContact CG-CD2 4.18Å; L78-Y114 HydrophobicContact CD2-CE2 4.36Å
79L94.3Very high90.4Very high69 Ų6954.5 Ų54.536%0.36129%0.292SS..Hα-helixtrans-73.4-39.9177.3-68.4178.1000112.8E75 Q76 A81 I82 E83 Y110 Y114E75-L79 WeakPolarHBondContact O-CG 3.48Å; E75-L79 PolarHBondContact O-N 2.89Å; E75-L79 VanDerWaalsContact O-N 3.14Å; Q76-L79 PolarHBondContact O-N 2.94Å; Q76-L79 VanDerWaalsContact O-N 3.17Å; L79-A81 VanDerWaalsContact C-N 3.28Å; L79-A81 PolarHBondContact O-N 3.39Å; L79-I82 HydrophobicContact CD2-CG2 4.36Å; L79-I82 WeakPolarHBondContact O-CG2 3.48Å; L79-E83 PolarHBondContact O-N 3.23Å; L79-Y110 HydrophobicContact CD2-CE2 4.26Å; L79-Y114 HydrophobicContact CD1-CE1 4Å; L79-Y114 HydrophobicContact CD2-CD1 4.09Å; L79-Y114 HydrophobicContact CD2-CE1 3.74Å; L79-Y114 HydrophobicContact CG-CE1 4.21Å
80D93.5Very high90.9Very high56 Ų5653.9 Ų53.930%0.29927%0.274SS..Hα-helixtrans-63.1-37.3170.8-74.818.3000109.8M1 Q76 Q84M1-D80 PolarHBondContact N-OD2 3.25Å; Q76-D80 PolarHBondContact O-N 3.18Å; D80-Q84 WeakPolarHBondContact O-CB 3.38Å; D80-Q84 PolarHBondContact O-N 3.27Å; D80-Q84 VanDerWaalsContact O-N 3.08Å
81A94.2Very high91.1Very high0 Ų059.9 Ų59.90%030%0.302CS..Hα-helixtrans-72.2-42.1179.300000114.5S77 L78 L79 E83 Q84 Y85 M93 H96S77-A81 WeakPolarHBondContact O-CB 3.47Å; S77-A81 PolarHBondContact O-N 3.23Å; L78-A81 PolarHBondContact O-N 3.09Å; L79-A81 VanDerWaalsContact C-N 3.28Å; L79-A81 PolarHBondContact O-N 3.39Å; A81-E83 VanDerWaalsContact C-N 3.27Å; A81-E83 PolarHBondContact O-N 3.39Å; A81-Q84 PolarHBondContact O-N 3.02Å; A81-Y85 HydrophobicContact CB-CD2 4.13Å; A81-Y85 HydrophobicContact CB-CE2 4.3Å; A81-Y85 VanDerWaalsContact O-CD2 3.23Å; A81-Y85 WeakPolarHBondContact O-CD2 3.46Å; A81-Y85 PolarHBondContact O-N 3.43Å; A81-M93 HydrophobicContact CB-CB 4.34Å; A81-M93 HydrophobicContact CB-CG 4.21Å; A81-H96 HydrophobicContact CB-CB 3.93Å
82I93.1Very high91.2Very high24 Ų2462.2 Ų62.212%0.12331%0.313CS..Hα-helixtrans-65-33.7176.9-169.574.7000111.1L78 L79 G86 F87 W90 M93 Y110L78-I82 PolarHBondContact O-N 3.01Å; L79-I82 HydrophobicContact CD2-CG2 4.36Å; L79-I82 WeakPolarHBondContact O-CG2 3.48Å; I82-G86 VanDerWaalsContact O-CA 3.29Å; I82-G86 WeakPolarHBondContact O-CA 3.43Å; I82-G86 PolarHBondContact O-N 3.07Å; I82-G86 VanDerWaalsContact O-N 3.08Å; I82-F87 VanDerWaalsContact CD1-CA 3.5Å; I82-F87 HydrophobicContact CD1-CB 3.92Å; I82-F87 HydrophobicContact CD1-CD2 4.08Å; I82-F87 HydrophobicContact CD1-CG 4.44Å; I82-W90 HydrophobicContact CD1-CH2 4.48Å; I82-W90 HydrophobicContact CD1-CZ3 4.35Å; I82-M93 HydrophobicContact CB-CE 3.74Å; I82-M93 HydrophobicContact CB-SD 4.47Å; I82-M93 HydrophobicContact CD1-CE 3.64Å; I82-M93 HydrophobicContact CD1-SD 3.68Å; I82-M93 HydrophobicContact CG1-CE 4.28Å; I82-Y110 HydrophobicContact CB-CE2 4.4Å; I82-Y110 HydrophobicContact CD1-CE1 4.12Å; I82-Y110 HydrophobicContact CG1-CE1 4.27Å; I82-Y110 HydrophobicContact CG1-CE2 4.23Å; I82-Y110 HydrophobicContact CG2-CE2 4.15Å
83E89.9Confident91.5Very high155 Ų15561.1 Ų61.172%0.72431%0.306SS*.Hα-helixtrans-67.3-41.7172.7-174.9174.1-165.700111.4L79 A81L79-E83 PolarHBondContact O-N 3.23Å; A81-E83 VanDerWaalsContact C-N 3.27Å; A81-E83 PolarHBondContact O-N 3.39Å
84Q86.9Confident91.9Very high127 Ų12756.4 Ų56.459%0.59329%0.289SS*.Hα-helixtrans-77-41.9-176.4-174.9166.428.100114.7D80 A81 H96D80-Q84 WeakPolarHBondContact O-CB 3.38Å; D80-Q84 PolarHBondContact O-N 3.27Å; D80-Q84 VanDerWaalsContact O-N 3.08Å; A81-Q84 PolarHBondContact O-N 3.02Å; Q84-H96 PolarHBondContact OE1-CE1 3.05Å; Q84-H96 PolarHBondContact OE1-ND1 3.41Å
85Y89.8Confident92Very high84 Ų8459.2 Ų59.233%0.32932%0.316SS..Hα-helixtrans-106.5-15.5-172.7-55-73.4000114.1A81 D92 M93 H96A81-Y85 HydrophobicContact CB-CD2 4.13Å; A81-Y85 HydrophobicContact CB-CE2 4.3Å; A81-Y85 VanDerWaalsContact O-CD2 3.23Å; A81-Y85 WeakPolarHBondContact O-CD2 3.46Å; A81-Y85 PolarHBondContact O-N 3.43Å; Y85-D92 HydrophobicContact CD1-CB 3.78Å; Y85-D92 HydrophobicContact CD2-CB 4.4Å; Y85-D92 HydrophobicContact CE1-CB 4.06Å; Y85-D92 HydrophobicContact CG-CB 3.97Å; Y85-M93 HydrophobicContact CD2-CG 4.23Å; Y85-H96 HydrophobicContact CE2-CB 3.72Å; Y85-H96 AromaticContact CE2-CG 3.79Å; Y85-H96 AromaticContact CE2-ND1 3.41Å; Y85-H96 WeakPolarHBondContact CE2-ND1 3.45Å; Y85-H96 AromaticContact CZ-ND1 3.73Å; Y85-H96 PolarHBondContact OH-ND1 3.26Å; Y85-H96 VanDerWaalsContact OH-ND1 3.14Å
86G86.3Confident92Very high30 Ų3062.2 Ų62.231%0.30933%0.33SS..  trans78.3158.5-178.700000114.5I82 G88 N89I82-G86 VanDerWaalsContact O-CA 3.29Å; I82-G86 WeakPolarHBondContact O-CA 3.43Å; I82-G86 PolarHBondContact O-N 3.07Å; I82-G86 VanDerWaalsContact O-N 3.08Å; G86-G88 PolarHBondContact O-N 3.15Å; G86-N89 PolarHBondContact O-N 3.07Å
87F87.8Confident92Very high133 Ų13358.1 Ų58.158%0.58331%0.312SS*.THydrogen-bonded Turntrans-63.2128.4-178.8-173.8-85.2000112.4I82 W90 Y110 V111 I115I82-F87 VanDerWaalsContact CD1-CA 3.5Å; I82-F87 HydrophobicContact CD1-CB 3.92Å; I82-F87 HydrophobicContact CD1-CD2 4.08Å; I82-F87 HydrophobicContact CD1-CG 4.44Å; F87-W90 HydrophobicContact CD1-CZ2 4.28Å; F87-W90 AromaticContact CD2-CH2 3.65Å; F87-W90 HydrophobicContact CD2-CH2 3.65Å; F87-W90 HydrophobicContact CD2-CZ2 4.02Å; F87-W90 HydrophobicContact CE1-CZ2 4Å; F87-W90 AromaticContact CE2-CH2 3.55Å; F87-W90 HydrophobicContact CE2-CH2 3.55Å; F87-W90 AromaticContact CE2-CZ2 3.74Å; F87-W90 HydrophobicContact CE2-CZ2 3.74Å; F87-W90 HydrophobicContact CG-CH2 4.24Å; F87-W90 HydrophobicContact CG-CZ2 4.28Å; F87-W90 HydrophobicContact CZ-CH2 4.05Å; F87-W90 AromaticContact CZ-CZ2 3.73Å; F87-W90 HydrophobicContact CZ-CZ2 3.73Å; F87-Y110 HydrophobicContact CD2-CD1 4.19Å; F87-Y110 AromaticContact CD2-CE1 3.8Å; F87-Y110 HydrophobicContact CD2-CE1 3.8Å; F87-Y110 AromaticContact CE2-CD1 4Å; F87-Y110 HydrophobicContact CE2-CD1 4Å; F87-Y110 AromaticContact CE2-CE1 3.91Å; F87-Y110 HydrophobicContact CE2-CE1 3.91Å; F87-V111 HydrophobicContact CE2-CG2 4.49Å; F87-V111 HydrophobicContact CZ-CG2 4.43Å; F87-I115 HydrophobicContact CE2-CG1 4.5Å
88G87.3Confident91.6Very high43 Ų4357.4 Ų57.444%0.44331%0.309SS..THydrogen-bonded Turntrans105.6-17.2178.400000114.7G86 W90G86-G88 PolarHBondContact O-N 3.15Å; G88-W90 VanDerWaalsContact C-N 3.26Å; G88-W90 PolarHBondContact O-N 3.25Å; G88-W90 VanDerWaalsContact O-N 3.1Å
89N90.8Very high91.2Very high59 Ų5964.4 Ų64.432%0.31635%0.354SS..  trans-87.761176.6-168.16.1000112G86 E91 D92 M93G86-N89 PolarHBondContact O-N 3.07Å; N89-E91 VanDerWaalsContact C-N 3.27Å; N89-E91 PolarHBondContact O-N 2.84Å; N89-D92 PolarHBondContact ND2-OD2 3.19Å; N89-D92 PolarHBondContact O-N 3.37Å; N89-M93 VanDerWaalsContact O-CG 3.29Å; N89-M93 WeakPolarHBondContact O-CG 3.42Å; N89-M93 PolarHBondContact O-N 3.02Å; N89-M93 VanDerWaalsContact O-N 3.12Å
90W95.1Very high90.8Very high36 Ų3664.8 Ų64.814%0.13636%0.363CS..Hα-helixtrans-66.9-23.6-170.1-51.7119.6000114.5I82 F87 G88 M93 A94 P103 V106 M107 Y110I82-W90 HydrophobicContact CD1-CH2 4.48Å; I82-W90 HydrophobicContact CD1-CZ3 4.35Å; F87-W90 HydrophobicContact CD1-CZ2 4.28Å; F87-W90 AromaticContact CD2-CH2 3.65Å; F87-W90 HydrophobicContact CD2-CH2 3.65Å; F87-W90 HydrophobicContact CD2-CZ2 4.02Å; F87-W90 HydrophobicContact CE1-CZ2 4Å; F87-W90 AromaticContact CE2-CH2 3.55Å; F87-W90 HydrophobicContact CE2-CH2 3.55Å; F87-W90 AromaticContact CE2-CZ2 3.74Å; F87-W90 HydrophobicContact CE2-CZ2 3.74Å; F87-W90 HydrophobicContact CG-CH2 4.24Å; F87-W90 HydrophobicContact CG-CZ2 4.28Å; F87-W90 HydrophobicContact CZ-CH2 4.05Å; F87-W90 AromaticContact CZ-CZ2 3.73Å; F87-W90 HydrophobicContact CZ-CZ2 3.73Å; G88-W90 VanDerWaalsContact C-N 3.26Å; G88-W90 PolarHBondContact O-N 3.25Å; G88-W90 VanDerWaalsContact O-N 3.1Å; W90-M93 HydrophobicContact CE3-CE 3.95Å; W90-M93 HydrophobicContact CE3-SD 3.59Å; W90-M93 VanDerWaalsContact CE3-SD 3.59Å; W90-M93 HydrophobicContact CZ3-CE 3.68Å; W90-M93 HydrophobicContact CZ3-SD 3.67Å; W90-A94 VanDerWaalsContact O-CB 3.3Å; W90-A94 WeakPolarHBondContact O-CB 3.5Å; W90-A94 PolarHBondContact O-N 3.3Å; W90-P103 HydrophobicContact CB-CB 3.97Å; W90-V106 HydrophobicContact CE3-CG1 4.22Å; W90-M107 HydrophobicContact CD2-CB 3.66Å; W90-M107 HydrophobicContact CD2-CG 3.98Å; W90-M107 HydrophobicContact CE3-CB 4.04Å; W90-M107 HydrophobicContact CG-CB 3.92Å; W90-M107 HydrophobicContact CG-CG 4.36Å; W90-M107 HydrophobicContact CH2-CG 4.41Å; W90-M107 HydrophobicContact CZ2-CB 4.31Å; W90-M107 HydrophobicContact CZ2-CG 3.8Å; W90-M107 HydrophobicContact CZ3-CB 4.49Å; W90-M107 PolarHBondContact NE1-SD 3.48Å; W90-Y110 AromaticContact CH2-CD1 3.99Å; W90-Y110 HydrophobicContact CH2-CD1 3.99Å; W90-Y110 HydrophobicContact CZ3-CD1 4.32Å
91E94.5Very high90.7Very high137 Ų13763.7 Ų63.764%0.6435%0.354SS*.Hα-helixtrans-65.4-57.4175.7-69.1-73.5178.600111.1N89 M93 A94 A95 P103N89-E91 VanDerWaalsContact C-N 3.27Å; N89-E91 PolarHBondContact O-N 2.84Å; E91-M93 VanDerWaalsContact C-N 3.31Å; E91-M93 PolarHBondContact O-N 2.83Å; E91-A94 PolarHBondContact O-N 3.37Å; E91-A95 PolarHBondContact O-N 3.48Å; E91-A95 VanDerWaalsContact O-N 3.09Å; E91-P103 HydrophobicContact CG-CG 4.48Å; E91-P103 WeakPolarHBondContact OE2-CG 3.27Å
92D92.4Very high90.7Very high77 Ų7767 Ų6741%0.41237%0.374SS..Hα-helixtrans-65.3-36178.7-70.7-28.1000111.5Y85 N89 A95 H96Y85-D92 HydrophobicContact CD1-CB 3.78Å; Y85-D92 HydrophobicContact CD2-CB 4.4Å; Y85-D92 HydrophobicContact CE1-CB 4.06Å; Y85-D92 HydrophobicContact CG-CB 3.97Å; N89-D92 PolarHBondContact ND2-OD2 3.19Å; N89-D92 PolarHBondContact O-N 3.37Å; D92-A95 PolarHBondContact O-N 2.96Å; D92-H96 PolarHBondContact O-N 3.31Å
93M94.8Very high90.9Very high0 Ų067.5 Ų67.50%038%0.38CS..Hα-helixtrans-62.8-44.2174.9-72.4-179.762.200112.6L78 A81 I82 Y85 N89 W90 E91 H96 V97 V106L78-M93 HydrophobicContact CD1-CE 3.51Å; A81-M93 HydrophobicContact CB-CB 4.34Å; A81-M93 HydrophobicContact CB-CG 4.21Å; I82-M93 HydrophobicContact CB-CE 3.74Å; I82-M93 HydrophobicContact CB-SD 4.47Å; I82-M93 HydrophobicContact CD1-CE 3.64Å; I82-M93 HydrophobicContact CD1-SD 3.68Å; I82-M93 HydrophobicContact CG1-CE 4.28Å; Y85-M93 HydrophobicContact CD2-CG 4.23Å; N89-M93 VanDerWaalsContact O-CG 3.29Å; N89-M93 WeakPolarHBondContact O-CG 3.42Å; N89-M93 PolarHBondContact O-N 3.02Å; N89-M93 VanDerWaalsContact O-N 3.12Å; W90-M93 HydrophobicContact CE3-CE 3.95Å; W90-M93 HydrophobicContact CE3-SD 3.59Å; W90-M93 VanDerWaalsContact CE3-SD 3.59Å; W90-M93 HydrophobicContact CZ3-CE 3.68Å; W90-M93 HydrophobicContact CZ3-SD 3.67Å; E91-M93 VanDerWaalsContact C-N 3.31Å; E91-M93 PolarHBondContact O-N 2.83Å; M93-H96 PolarHBondContact O-N 3.06Å; M93-V97 WeakPolarHBondContact O-CG2 3.46Å; M93-V97 PolarHBondContact O-N 3.48Å; M93-V106 HydrophobicContact CB-CG1 4.24Å; M93-V106 HydrophobicContact CE-CG1 4.27Å
94A95.3Very high91.2Very high5 Ų565 Ų654%0.04137%0.368CS..Hα-helixtrans-65-40.8177.300000112W90 E91 H96 V97 G98 P103 V106W90-A94 VanDerWaalsContact O-CB 3.3Å; W90-A94 WeakPolarHBondContact O-CB 3.5Å; W90-A94 PolarHBondContact O-N 3.3Å; E91-A94 PolarHBondContact O-N 3.37Å; A94-H96 PolarHBondContact O-N 3.02Å; A94-V97 PolarHBondContact O-N 3.48Å; A94-G98 PolarHBondContact O-N 3.15Å; A94-P103 HydrophobicContact CB-CB 4.37Å; A94-P103 HydrophobicContact CB-CG 3.92Å; A94-V106 HydrophobicContact CB-CG2 3.91Å
95A93.9Very high91.5Very high81 Ų8162.8 Ų62.867%0.66936%0.358SS*.Hα-helixtrans-59.2-32.8173.700000112.7E91 D92E91-A95 PolarHBondContact O-N 3.48Å; E91-A95 VanDerWaalsContact O-N 3.09Å; D92-A95 PolarHBondContact O-N 2.96Å
96H92.3Very high91.8Very high64 Ų6458.8 Ų58.830%0.29634%0.342SS..Hα-helixtrans-79.5-41.3176.3-163.1112.4000113.3S77 A81 Q84 Y85 D92 M93 A94 G98S77-H96 PolarHBondContact OG-O 3.29Å; S77-H96 VanDerWaalsContact OG-O 3.06Å; A81-H96 HydrophobicContact CB-CB 3.93Å; Q84-H96 PolarHBondContact OE1-CE1 3.05Å; Q84-H96 PolarHBondContact OE1-ND1 3.41Å; Y85-H96 HydrophobicContact CE2-CB 3.72Å; Y85-H96 AromaticContact CE2-CG 3.79Å; Y85-H96 AromaticContact CE2-ND1 3.41Å; Y85-H96 WeakPolarHBondContact CE2-ND1 3.45Å; Y85-H96 AromaticContact CZ-ND1 3.73Å; Y85-H96 PolarHBondContact OH-ND1 3.26Å; Y85-H96 VanDerWaalsContact OH-ND1 3.14Å; D92-H96 PolarHBondContact O-N 3.31Å; M93-H96 PolarHBondContact O-N 3.06Å; A94-H96 PolarHBondContact O-N 3.02Å; H96-G98 VanDerWaalsContact C-N 3.34Å; H96-G98 PolarHBondContact O-N 3.44Å
97V91.6Very high92.2Very high14 Ų1459.8 Ų59.89%0.08534%0.339CS..Hα-helixtrans-60.3-45.6176171.50000110.6W70 E74 L78 M93 A94 R101W70-V97 HydrophobicContact CH2-CG1 4.32Å; W70-V97 HydrophobicContact CZ3-CG1 3.93Å; E74-V97 HydrophobicContact CB-CG1 4.19Å; E74-V97 HydrophobicContact CG-CG1 4.32Å; L78-V97 HydrophobicContact CB-CG2 3.9Å; L78-V97 HydrophobicContact CD1-CG2 4.11Å; M93-V97 WeakPolarHBondContact O-CG2 3.46Å; M93-V97 PolarHBondContact O-N 3.48Å; A94-V97 PolarHBondContact O-N 3.48Å; V97-R101 HydrophobicContact CG1-CB 4.36Å; V97-R101 HydrophobicContact CG1-CG 3.88Å
98G86.1Confident92.5Very high12 Ų1258.3 Ų58.312%0.12433%0.334CS..  trans140.9165.3172.100000113.3A94 H96 S100 R101A94-G98 PolarHBondContact O-N 3.15Å; H96-G98 VanDerWaalsContact C-N 3.34Å; H96-G98 PolarHBondContact O-N 3.44Å; G98-S100 PolarHBondContact O-N 2.99Å; G98-R101 PolarHBondContact O-N 3.49Å
99P84.8Confident92.8Very high147 Ų14757.1 Ų57.196%0.95532%0.317SS*.THydrogen-bonded Turntrans-68.7-1.9-174.830.9-37.8000114.4R101P99-R101 VanDerWaalsContact C-N 3.33Å
100S86.1Confident92.9Very high77 Ų7755.9 Ų55.954%0.53831%0.308SS..THydrogen-bonded Turntrans-78.2-12.9173.946.40000113.7E74 G98E74-S100 PolarHBondContact OE1-OG 3.48Å; G98-S100 PolarHBondContact O-N 2.99Å
101R91.8Very high92.8Very high33 Ų3356 Ų5613%0.12531%0.312CS..  trans-126.3139.6-172.7-55.7-62.1175.11720.9112G68 G69 W70 E74 V97 G98 P99 V106G68-R101 PolarHBondContact O-NH1 2.87Å; G68-R101 PolarHBondContact O-NH2 2.93Å; G68-R101 VanDerWaalsContact O-NH2 3.14Å; G69-R101 PolarHBondContact O-NH2 3.34Å; W70-R101 HydrophobicContact CH2-CG 4.03Å; W70-R101 HydrophobicContact CZ2-CG 4.31Å; W70-R101 HydrophobicContact CZ3-CG 4.42Å; E74-R101 IonicContact OE1-CZ 3.89Å; E74-R101 IonicContact OE1-NE 2.93Å; E74-R101 PolarHBondContact OE1-NE 3.32Å; E74-R101 IonicContact OE1-NH2 3.84Å; E74-R101 PolarHBondContact OE1-NH2 3.44Å; E74-R101 IonicContact OE2-CZ 2.78Å; E74-R101 IonicContact OE2-NE 3.26Å; E74-R101 IonicContact OE2-NH2 3.44Å; E74-R101 PolarHBondContact OE2-NH2 2.96Å; V97-R101 HydrophobicContact CG1-CB 4.36Å; V97-R101 HydrophobicContact CG1-CG 3.88Å; G98-R101 PolarHBondContact O-N 3.49Å; P99-R101 VanDerWaalsContact C-N 3.33Å; R101-V106 HydrophobicContact CB-CG2 3.79Å
102T95.4Very high92.6Very high68 Ų6853.4 Ų53.442%0.41731%0.306SS..  trans-86.9156.6170.563.30000111.6Q104 E105 V106T102-Q104 PolarHBondContact O-N 2.92Å; T102-E105 WeakPolarHBondContact CB-OE2 3.37Å; T102-E105 WeakPolarHBondContact CG2-OE2 3.37Å; T102-E105 PolarHBondContact N-OE2 3.45Å; T102-E105 PolarHBondContact O-N 3.07Å; T102-E105 VanDerWaalsContact OG1-CD 3.29Å; T102-E105 VanDerWaalsContact OG1-CG 3.29Å; T102-E105 WeakPolarHBondContact OG1-CG 3.35Å; T102-E105 PolarHBondContact OG1-N 2.95Å; T102-E105 PolarHBondContact OG1-OE2 3.25Å; T102-V106 VanDerWaalsContact O-CG2 3.31Å; T102-V106 WeakPolarHBondContact O-CG2 3.49Å; T102-V106 PolarHBondContact O-N 3.44Å
103P96.2Very high92.5Very high36 Ų3652 Ų5223%0.23430%0.298CS..Hα-helixtrans-52.5-36172.9-28.235.6000113.8W90 E91 A94 M107W90-P103 HydrophobicContact CB-CB 3.97Å; E91-P103 HydrophobicContact CG-CG 4.48Å; E91-P103 WeakPolarHBondContact OE2-CG 3.27Å; A94-P103 HydrophobicContact CB-CB 4.37Å; A94-P103 HydrophobicContact CB-CG 3.92Å; P103-M107 WeakPolarHBondContact O-CB 3.33Å; P103-M107 PolarHBondContact O-N 2.68Å
104Q95.8Very high92.4Very high102 Ų10253 Ų5348%0.47730%0.301SS..Hα-helixtrans-67.9-48.4178.7-171.568.319.600111.7T102 V106 M107 E108T102-Q104 PolarHBondContact O-N 2.92Å; Q104-V106 VanDerWaalsContact C-N 3.32Å; Q104-V106 PolarHBondContact O-N 2.91Å; Q104-M107 VanDerWaalsContact NE2-CE 3.33Å; Q104-M107 PolarHBondContact O-N 3.27Å; Q104-E108 PolarHBondContact NE2-OE1 3.44Å; Q104-E108 WeakPolarHBondContact O-CB 3.28Å; Q104-E108 WeakPolarHBondContact O-CG 3.4Å; Q104-E108 PolarHBondContact O-N 2.89Å
105E94.3Very high92.2Very high81 Ų8155.2 Ų55.238%0.37931%0.312SS..Hα-helixtrans-63-39.1177.5-69.6162.3128.100111.7T102 H109T102-E105 WeakPolarHBondContact CB-OE2 3.37Å; T102-E105 WeakPolarHBondContact CG2-OE2 3.37Å; T102-E105 PolarHBondContact N-OE2 3.45Å; T102-E105 PolarHBondContact O-N 3.07Å; T102-E105 VanDerWaalsContact OG1-CD 3.29Å; T102-E105 VanDerWaalsContact OG1-CG 3.29Å; T102-E105 WeakPolarHBondContact OG1-CG 3.35Å; T102-E105 PolarHBondContact OG1-N 2.95Å; T102-E105 PolarHBondContact OG1-OE2 3.25Å; E105-H109 WeakPolarHBondContact O-CB 3.49Å; E105-H109 PolarHBondContact O-N 2.93Å
106V95.3Very high92Very high0 Ų057.1 Ų57.10%031%0.307CS..Hα-helixtrans-61.3-47.7175.7169.10000111.2W70 L78 W90 M93 A94 R101 T102 Q104 Y110W70-V106 HydrophobicContact CH2-CG2 3.99Å; L78-V106 HydrophobicContact CD1-CG1 3.69Å; W90-V106 HydrophobicContact CE3-CG1 4.22Å; M93-V106 HydrophobicContact CB-CG1 4.24Å; M93-V106 HydrophobicContact CE-CG1 4.27Å; A94-V106 HydrophobicContact CB-CG2 3.91Å; R101-V106 HydrophobicContact CB-CG2 3.79Å; T102-V106 VanDerWaalsContact O-CG2 3.31Å; T102-V106 WeakPolarHBondContact O-CG2 3.49Å; T102-V106 PolarHBondContact O-N 3.44Å; Q104-V106 VanDerWaalsContact C-N 3.32Å; Q104-V106 PolarHBondContact O-N 2.91Å; V106-Y110 WeakPolarHBondContact O-CB 3.32Å; V106-Y110 PolarHBondContact O-N 3.38Å
107M95.1Very high91.8Very high51 Ų5154.7 Ų54.725%0.25130%0.299SS..Hα-helixtrans-62.1-52176.3177.6-175.166.600111.6W90 P103 Q104 H109 Y110 V111W90-M107 HydrophobicContact CD2-CB 3.66Å; W90-M107 HydrophobicContact CD2-CG 3.98Å; W90-M107 HydrophobicContact CE3-CB 4.04Å; W90-M107 HydrophobicContact CG-CB 3.92Å; W90-M107 HydrophobicContact CG-CG 4.36Å; W90-M107 HydrophobicContact CH2-CG 4.41Å; W90-M107 HydrophobicContact CZ2-CB 4.31Å; W90-M107 HydrophobicContact CZ2-CG 3.8Å; W90-M107 HydrophobicContact CZ3-CB 4.49Å; W90-M107 PolarHBondContact NE1-SD 3.48Å; P103-M107 WeakPolarHBondContact O-CB 3.33Å; P103-M107 PolarHBondContact O-N 2.68Å; Q104-M107 VanDerWaalsContact NE2-CE 3.33Å; Q104-M107 PolarHBondContact O-N 3.27Å; M107-H109 VanDerWaalsContact C-N 3.35Å; M107-H109 PolarHBondContact O-N 3Å; M107-Y110 PolarHBondContact O-N 3.12Å; M107-V111 HydrophobicContact CG-CG2 4.36Å; M107-V111 WeakPolarHBondContact O-CB 3.29Å; M107-V111 VanDerWaalsContact O-CG2 3.28Å; M107-V111 WeakPolarHBondContact O-CG2 3.2Å; M107-V111 PolarHBondContact O-N 2.7Å
108E93.9Very high91.7Very high101 Ų10160.1 Ų60.147%0.47233%0.328SS..Hα-helixtrans-62-42.6-176.3-75.2177.7-177.300111.6Q104 T112Q104-E108 PolarHBondContact NE2-OE1 3.44Å; Q104-E108 WeakPolarHBondContact O-CB 3.28Å; Q104-E108 WeakPolarHBondContact O-CG 3.4Å; Q104-E108 PolarHBondContact O-N 2.89Å; E108-T112 WeakPolarHBondContact O-CB 3.42Å; E108-T112 PolarHBondContact O-N 3.47Å; E108-T112 PolarHBondContact O-OG1 2.86Å
109H92.8Very high91.8Very high18 Ų1864.2 Ų64.28%0.08335%0.346CS..Hα-helixtrans-64.3-49.4175.7-177.971.3000112.1W70 E75 E105 M107 V111 T112 M113W70-H109 AromaticContact CD1-CE1 3.49Å; W70-H109 VanDerWaalsContact CD1-CE1 3.49Å; W70-H109 AromaticContact CD1-CG 3.84Å; W70-H109 AromaticContact CD1-ND1 3.4Å; W70-H109 AromaticContact CD2-CD2 3.5Å; W70-H109 VanDerWaalsContact CD2-CD2 3.5Å; W70-H109 AromaticContact CD2-CE1 3.82Å; W70-H109 AromaticContact CD2-CG 3.78Å; W70-H109 AromaticContact CD2-NE2 3.54Å; W70-H109 AromaticContact CE2-CD2 3.49Å; W70-H109 VanDerWaalsContact CE2-CD2 3.49Å; W70-H109 AromaticContact CE2-CG 3.35Å; W70-H109 AromaticContact CE2-ND1 3.79Å; W70-H109 AromaticContact CE2-NE2 3.96Å; W70-H109 AromaticContact CE3-CD2 3.73Å; W70-H109 AromaticContact CE3-NE2 3.83Å; W70-H109 AromaticContact CG-CE1 3.47Å; W70-H109 VanDerWaalsContact CG-CE1 3.47Å; W70-H109 AromaticContact CG-ND1 3.82Å; W70-H109 AromaticContact CG-NE2 3.62Å; W70-H109 HydrophobicContact CH2-CB 4.3Å; W70-H109 AromaticContact CH2-CD2 3.96Å; W70-H109 HydrophobicContact CZ2-CB 3.51Å; W70-H109 AromaticContact CZ2-CD2 3.75Å; W70-H109 AromaticContact CZ2-CG 3.68Å; W70-H109 AromaticContact CZ3-CD2 3.95Å; W70-H109 AromaticContact NE1-CD2 3.93Å; W70-H109 AromaticContact NE1-CE1 3.86Å; W70-H109 AromaticContact NE1-CG 3.4Å; W70-H109 AromaticContact NE1-ND1 3.39Å; W70-H109 PolarHBondContact NE1-ND1 3.13Å; E75-H109 IonicContact OE1-CE1 3.73Å; E75-H109 PolarHBondContact OE1-CE1 3.34Å; E75-H109 VanDerWaalsContact OE1-CE1 3.22Å; E75-H109 IonicContact OE1-NE2 3.52Å; E75-H109 PolarHBondContact OE1-NE2 2.67Å; E75-H109 IonicContact OE2-CD2 2.88Å; E75-H109 IonicContact OE2-CE1 3.1Å; E75-H109 IonicContact OE2-NE2 2.93Å; E75-H109 PolarHBondContact OE2-NE2 2.75Å; E105-H109 WeakPolarHBondContact O-CB 3.49Å; E105-H109 PolarHBondContact O-N 2.93Å; M107-H109 VanDerWaalsContact C-N 3.35Å; M107-H109 PolarHBondContact O-N 3Å; H109-V111 PolarHBondContact O-N 3.5Å; H109-T112 PolarHBondContact O-N 3.03Å; H109-M113 WeakPolarHBondContact O-CB 3.44Å; H109-M113 WeakPolarHBondContact O-CG 3.4Å; H109-M113 PolarHBondContact O-N 2.89Å
110Y93.3Very high92Very high33 Ų3357.4 Ų57.413%0.12930%0.303CS..Iπ-helixtrans-60.2-45.8179-174-99.4000111.9L78 L79 I82 F87 W90 V106 M107 Y114 I115L78-Y110 HydrophobicContact CD1-CD2 4.43Å; L78-Y110 HydrophobicContact CD2-CD2 4.19Å; L78-Y110 HydrophobicContact CG-CD2 4.18Å; L79-Y110 HydrophobicContact CD2-CE2 4.26Å; I82-Y110 HydrophobicContact CB-CE2 4.4Å; I82-Y110 HydrophobicContact CD1-CE1 4.12Å; I82-Y110 HydrophobicContact CG1-CE1 4.27Å; I82-Y110 HydrophobicContact CG1-CE2 4.23Å; I82-Y110 HydrophobicContact CG2-CE2 4.15Å; F87-Y110 HydrophobicContact CD2-CD1 4.19Å; F87-Y110 AromaticContact CD2-CE1 3.8Å; F87-Y110 HydrophobicContact CD2-CE1 3.8Å; F87-Y110 AromaticContact CE2-CD1 4Å; F87-Y110 HydrophobicContact CE2-CD1 4Å; F87-Y110 AromaticContact CE2-CE1 3.91Å; F87-Y110 HydrophobicContact CE2-CE1 3.91Å; W90-Y110 AromaticContact CH2-CD1 3.99Å; W90-Y110 HydrophobicContact CH2-CD1 3.99Å; W90-Y110 HydrophobicContact CZ3-CD1 4.32Å; V106-Y110 WeakPolarHBondContact O-CB 3.32Å; V106-Y110 PolarHBondContact O-N 3.38Å; M107-Y110 PolarHBondContact O-N 3.12Å; Y110-Y114 AromaticContact CD2-CD2 3.84Å; Y110-Y114 HydrophobicContact CD2-CD2 3.84Å; Y110-Y114 HydrophobicContact CD2-CG 4.04Å; Y110-Y114 HydrophobicContact CE2-CD2 4.27Å; Y110-Y114 HydrophobicContact CE2-CG 4Å; Y110-Y114 WeakPolarHBondContact O-CA 3.46Å; Y110-Y114 WeakPolarHBondContact O-CB 3.26Å; Y110-Y114 PolarHBondContact O-N 3.42Å; Y110-I115 HydrophobicContact CD1-CG1 4.11Å; Y110-I115 HydrophobicContact CE1-CD1 3.79Å; Y110-I115 HydrophobicContact CE1-CG1 3.84Å; Y110-I115 PolarHBondContact O-N 3.08Å
111V92.9Very high92.1Very high38 Ų3861 Ų6123%0.2331%0.309CS..Iπ-helixtrans-64.3-43.6178.2170.40000111.4F87 M107 H109 I115 H116F87-V111 HydrophobicContact CE2-CG2 4.49Å; F87-V111 HydrophobicContact CZ-CG2 4.43Å; M107-V111 HydrophobicContact CG-CG2 4.36Å; M107-V111 WeakPolarHBondContact O-CB 3.29Å; M107-V111 VanDerWaalsContact O-CG2 3.28Å; M107-V111 WeakPolarHBondContact O-CG2 3.2Å; M107-V111 PolarHBondContact O-N 2.7Å; H109-V111 PolarHBondContact O-N 3.5Å; V111-I115 WeakPolarHBondContact O-CB 3.28Å; V111-I115 PolarHBondContact O-N 3.12Å; V111-H116 PolarHBondContact O-N 3.43Å
112T91.8Very high92Very high84 Ų8463.5 Ų63.552%0.51534%0.337SS..Iπ-helixtrans-71.7-46.6-177-56.40000112.1E108 H109 H116 G117E108-T112 WeakPolarHBondContact O-CB 3.42Å; E108-T112 PolarHBondContact O-N 3.47Å; E108-T112 PolarHBondContact O-OG1 2.86Å; H109-T112 PolarHBondContact O-N 3.03Å; T112-H116 CarbonylContact O-C 3.57Å; T112-G117 WeakPolarHBondContact O-CA 3.45Å; T112-G117 PolarHBondContact O-N 3.5Å
113M90.1Very high91.6Very high47 Ų4764.8 Ų64.823%0.23235%0.347CS..Iπ-helixtrans-88.8-36.8-170.4-58.8-53.8-74.600113.3W62 H109 G117W62-M113 HydrophobicContact CB-CE 3.84Å; W62-M113 HydrophobicContact CD2-CE 3.42Å; W62-M113 VanDerWaalsContact CD2-CE 3.42Å; W62-M113 HydrophobicContact CE3-CE 3.92Å; W62-M113 HydrophobicContact CG-CE 3.35Å; W62-M113 HydrophobicContact CZ2-CB 4.45Å; H109-M113 WeakPolarHBondContact O-CB 3.44Å; H109-M113 WeakPolarHBondContact O-CG 3.4Å; H109-M113 PolarHBondContact O-N 2.89Å; M113-G117 WeakPolarHBondContact O-CA 3.38Å
114Y91.1Very high91Very high20 Ų2066.5 Ų66.58%0.07835%0.354CS..Iπ-helixtrans-98.8-45.7-177-64.6-94.9000112.4E75 L78 L79 Y110 L119 G120E75-Y114 PolarHBondContact OE2-OH 3.43Å; E75-Y114 VanDerWaalsContact OE2-OH 3.04Å; L78-Y114 HydrophobicContact CD2-CE2 4.36Å; L79-Y114 HydrophobicContact CD1-CE1 4Å; L79-Y114 HydrophobicContact CD2-CD1 4.09Å; L79-Y114 HydrophobicContact CD2-CE1 3.74Å; L79-Y114 HydrophobicContact CG-CE1 4.21Å; Y110-Y114 AromaticContact CD2-CD2 3.84Å; Y110-Y114 HydrophobicContact CD2-CD2 3.84Å; Y110-Y114 HydrophobicContact CD2-CG 4.04Å; Y110-Y114 HydrophobicContact CE2-CD2 4.27Å; Y110-Y114 HydrophobicContact CE2-CG 4Å; Y110-Y114 WeakPolarHBondContact O-CA 3.46Å; Y110-Y114 WeakPolarHBondContact O-CB 3.26Å; Y110-Y114 PolarHBondContact O-N 3.42Å; Y114-L119 HydrophobicContact CD1-CD2 3.97Å; Y114-G120 WeakPolarHBondContact O-CA 3.1Å; Y114-G120 PolarHBondContact O-N 3.44Å
115I91.1Very high90.2Very high52 Ų5265.3 Ų65.327%0.26736%0.355SS..Iπ-helixtrans-82.8-43-176.2-55.1-61.2000112.8F87 Y110 V111 I124F87-I115 HydrophobicContact CE2-CG1 4.5Å; Y110-I115 HydrophobicContact CD1-CG1 4.11Å; Y110-I115 HydrophobicContact CE1-CD1 3.79Å; Y110-I115 HydrophobicContact CE1-CG1 3.84Å; Y110-I115 PolarHBondContact O-N 3.08Å; V111-I115 WeakPolarHBondContact O-CB 3.28Å; V111-I115 PolarHBondContact O-N 3.12Å; I115-I124 HydrophobicContact CD1-CD1 4.44Å; I115-I124 HydrophobicContact CG2-CD1 4.12Å
116H89.6Confident89.3Confident121 Ų12170.1 Ų70.156%0.5638%0.383SS*.SBendtrans-103.1-10.3179.8-63.5-34000114V111 T112 K121V111-H116 PolarHBondContact O-N 3.43Å; T112-H116 CarbonylContact O-C 3.57Å; H116-K121 WeakPolarHBondContact O-CE 3.45Å; H116-K121 PolarHBondContact O-NZ 3.4Å
117G88.6Confident88.3Confident13 Ų1374.6 Ų74.613%0.13441%0.414CS..SBendtrans-76-167174.400000112.9T112 M113 L119 K121T112-G117 WeakPolarHBondContact O-CA 3.45Å; T112-G117 PolarHBondContact O-N 3.5Å; M113-G117 WeakPolarHBondContact O-CA 3.38Å; G117-L119 VanDerWaalsContact C-N 3.3Å; G117-L119 PolarHBondContact O-N 3.36Å; G117-K121 WeakPolarHBondContact O-CG 3.42Å; G117-K121 PolarHBondContact O-N 2.87Å; G117-K121 VanDerWaalsContact O-N 3.14Å
118N88.8Confident87.1Confident128 Ų12877.3 Ų77.368%0.68443%0.429SS*.Hα-helixtrans-66.5-31.7-172.3-64.6-24.8000112.8A122N118-A122 WeakPolarHBondContact O-CB 3.48Å; N118-A122 PolarHBondContact O-N 3.28Å
119L88.2Confident85.3Confident98 Ų9877.9 Ų77.951%0.51344%0.442SS..Hα-helixtrans-67.9-53179.7-15977.7000110.9Y114 G117 K121 A122 C123Y114-L119 HydrophobicContact CD1-CD2 3.97Å; G117-L119 VanDerWaalsContact C-N 3.3Å; G117-L119 PolarHBondContact O-N 3.36Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-K121 PolarHBondContact O-N 3.42Å; L119-A122 PolarHBondContact O-N 2.57Å; L119-C123 WeakPolarHBondContact O-CB 3.5Å; L119-C123 PolarHBondContact O-N 3.49Å; L119-C123 PolarHBondContact O-SG 3.45Å
120G89.3Confident83.4Confident5 Ų583.6 Ų83.65%0.05247%0.473CS..Hα-helixtrans-58.5-42.1176.900000112.8Y114 A122 C123 I124Y114-G120 WeakPolarHBondContact O-CA 3.1Å; Y114-G120 PolarHBondContact O-N 3.44Å; G120-A122 PolarHBondContact O-N 2.93Å; G120-C123 PolarHBondContact O-N 3.37Å; G120-I124 WeakPolarHBondContact O-CA 3.17Å; G120-I124 WeakPolarHBondContact O-CB 3.4Å; G120-I124 WeakPolarHBondContact O-CG1 3.29Å; G120-I124 PolarHBondContact O-N 2.91Å
121K88.9Confident81.6Confident152 Ų15292.6 Ų92.666%0.66151%0.506SS*.Hα-helixtrans-61.4-27.2173.8-72.9167.5179.8148.20114.2H116 G117 L119H116-K121 WeakPolarHBondContact O-CE 3.45Å; H116-K121 PolarHBondContact O-NZ 3.4Å; G117-K121 WeakPolarHBondContact O-CG 3.42Å; G117-K121 PolarHBondContact O-N 2.87Å; G117-K121 VanDerWaalsContact O-N 3.14Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-K121 PolarHBondContact O-N 3.42Å
122A90.1Very high79.6Confident85 Ų8597.3 Ų97.370%0.70254%0.535SS*.Hα-helixtrans-90.4-29.6178.400000113N118 L119 G120N118-A122 WeakPolarHBondContact O-CB 3.48Å; N118-A122 PolarHBondContact O-N 3.28Å; L119-A122 PolarHBondContact O-N 2.57Å; G120-A122 PolarHBondContact O-N 2.93Å
123C86.9Confident77.6Confident95 Ų9597.6 Ų97.664%0.64254%0.537SS*.Hα-helixtrans-103.2-25.3-172.6-63.20000114.3L119 G120L119-C123 WeakPolarHBondContact O-CB 3.5Å; L119-C123 PolarHBondContact O-N 3.49Å; L119-C123 PolarHBondContact O-SG 3.45Å; G120-C123 PolarHBondContact O-N 3.37Å
124I82.8Confident75.6Confident73 Ų7399.5 Ų99.537%0.37455%0.548SS..SBendtrans-100.4118.1-178.9-53.2171.6000108.3I115 G120I115-I124 HydrophobicContact CD1-CD1 4.44Å; I115-I124 HydrophobicContact CG2-CD1 4.12Å; G120-I124 WeakPolarHBondContact O-CA 3.17Å; G120-I124 WeakPolarHBondContact O-CB 3.4Å; G120-I124 WeakPolarHBondContact O-CG1 3.29Å; G120-I124 PolarHBondContact O-N 2.91Å
125P80.1Confident73.6Confident76 Ų76105.4 Ų105.449%0.49458%0.576SS.*  trans-71.4138.8179.728.8-34.4000111.8S127 I128P125-S127 CarbonylContact O-C 3.58Å; P125-S127 PolarHBondContact O-N 2.94Å; P125-S127 VanDerWaalsContact O-N 3.07Å; P125-I128 PolarHBondContact O-N 2.66Å
126D74.8Confident71.5Confident183 Ų183105.9 Ų105.998%0.97958%0.581SS**SBendtrans-50.5-35.9178-67.8-42.4000113
127S74.8Confident69.4Low93 Ų93101.8 Ų101.865%0.6557%0.566SS**SBendtrans-103.997.516965.90000110.3P125 P129P125-S127 CarbonylContact O-C 3.58Å; P125-S127 PolarHBondContact O-N 2.94Å; P125-S127 VanDerWaalsContact O-N 3.07Å; S127-P129 WeakPolarHBondContact O-CD 3.43Å; S127-P129 VanDerWaalsContact O-N 3.14Å
128I69.3Low67.4Low108 Ų108105.6 Ų105.655%0.55459%0.588SS**  trans-64.1110.3168-58.9173.4000107.6P125 N130 R131P125-I128 PolarHBondContact O-N 2.66Å; I128-N130 PolarHBondContact O-N 3.05Å; I128-R131 PolarHBondContact O-N 3.47Å
129P56.2Low65.4Low114 Ų114105.4 Ų105.474%0.7460%0.597SS**SBendtrans-70.6-22.1-165.425.6-32.2000113.1S127S127-P129 WeakPolarHBondContact O-CD 3.43Å; S127-P129 VanDerWaalsContact O-N 3.14Å
130N53.2Low63.4Low137 Ų137104.7 Ų104.773%0.73361%0.613SS**SBendtrans-112.280.4167-70-37.7000108.8I128 V132I128-N130 PolarHBondContact O-N 3.05Å; N130-V132 PolarHBondContact O-N 3.32Å
131R54.5Low61.3Low222 Ų222105.6 Ų105.684%0.83862%0.623SS**  trans-61.2106.5161.8-156.2-177.1-155.4-1545.8106I128 T133I128-R131 PolarHBondContact O-N 3.47Å; R131-T133 PolarHBondContact O-N 2.87Å; R131-T133 PolarHBondContact O-OG1 3.49Å
132V51.8Low59.1Low138 Ų138101.2 Ų101.284%0.83661%0.61SS**  trans-51.5107.9178.21770000106.4N130 D134N130-V132 PolarHBondContact O-N 3.32Å; V132-D134 PolarHBondContact O-N 3.32Å
133T49.2Very low56.5Low89 Ų89103.5 Ų103.555%0.54661%0.61SS.*  trans-77.1115.8-178.4-65.40000105.1R131 H135R131-T133 PolarHBondContact O-N 2.87Å; R131-T133 PolarHBondContact O-OG1 3.49Å; T133-H135 VanDerWaalsContact CG2-CE1 3.47Å; T133-H135 WeakPolarHBondContact CG2-CE1 3.36Å; T133-H135 PolarHBondContact O-CD2 3.27Å; T133-H135 PolarHBondContact O-N 3.01Å
134D48Very low54.3Low87 Ų87100.7 Ų100.747%0.46559%0.591SS.*  trans-65.184.6174.9-177.52.2000109.2V132 T136 C137V132-D134 PolarHBondContact O-N 3.32Å; D134-T136 PolarHBondContact O-N 3.33Å; D134-T136 WeakPolarHBondContact OD1-CA 3.38Å; D134-T136 WeakPolarHBondContact OD1-CB 3.4Å; D134-T136 PolarHBondContact OD1-N 2.91Å; D134-T136 PolarHBondContact OD1-OG1 3.49Å; D134-C137 CarbonylContact O-C 3.56Å; D134-C137 PolarHBondContact O-N 3.25Å; D134-C137 PolarHBondContact OD1-N 3.38Å
135H50.1Low52.4Low144 Ų144101.7 Ų101.767%0.66760%0.602SS**THydrogen-bonded Turntrans-70.9-9.5174.7-63.7-60.4000112T133T133-H135 VanDerWaalsContact CG2-CE1 3.47Å; T133-H135 WeakPolarHBondContact CG2-CE1 3.36Å; T133-H135 PolarHBondContact O-CD2 3.27Å; T133-H135 PolarHBondContact O-N 3.01Å
136T46.9Very low50.8Low63 Ų63101.4 Ų101.439%0.38760%0.602SS.*THydrogen-bonded Turntrans-68.8-25.3172.2-14.20000111.7D134 S144D134-T136 PolarHBondContact O-N 3.33Å; D134-T136 WeakPolarHBondContact OD1-CA 3.38Å; D134-T136 WeakPolarHBondContact OD1-CB 3.4Å; D134-T136 PolarHBondContact OD1-N 2.91Å; D134-T136 PolarHBondContact OD1-OG1 3.49Å; T136-S144 PolarHBondContact O-N 3.49Å
137C44.1Very low49.3Very low35 Ų3595.7 Ų95.724%0.23657%0.571CS.*  trans-138.287.4-179.1-84.70000112.8D134 S139 G141 L143D134-C137 CarbonylContact O-C 3.56Å; D134-C137 PolarHBondContact O-N 3.25Å; D134-C137 PolarHBondContact OD1-N 3.38Å; C137-S139 PolarHBondContact O-N 3.11Å; C137-G141 PolarHBondContact SG-O 3.48Å; C137-L143 WeakPolarHBondContact SG-CD2 3.49Å
138P47.7Very low48Very low92 Ų9295.1 Ų95.160%0.59756%0.564SS**SBendtrans-67.599164.829.3-32.5000109.4G140 G141P138-G140 PolarHBondContact O-N 3.4Å; P138-G141 PolarHBondContact O-N 3.4Å; P138-G141 VanDerWaalsContact O-N 3.07Å
139S45.8Very low47.2Very low125 Ų12595.6 Ų95.687%0.87457%0.572SS**THydrogen-bonded Turntrans43.462.5164.155.40000115C137C137-S139 PolarHBondContact O-N 3.11Å
140G47.6Very low46.9Very low83 Ų8394.6 Ų94.686%0.85657%0.565SS**THydrogen-bonded Turntrans88.25.5177.600000115.7P138P138-G140 PolarHBondContact O-N 3.4Å
141G45.6Very low47.1Very low24 Ų2491.3 Ų91.325%0.24755%0.547CS..  trans-68.2161.216500000113.1C137 P138C137-G141 PolarHBondContact SG-O 3.48Å; P138-G141 PolarHBondContact O-N 3.4Å; P138-G141 VanDerWaalsContact O-N 3.07Å
142P41.1Very low47.6Very low60 Ų6086.1 Ų86.139%0.3954%0.542SS..  trans-67.8151.7177.629.7-35.5000112.4S144 L147 P150P142-S144 PolarHBondContact O-N 3.11Å; P142-L147 HydrophobicContact CB-CD1 4.38Å; P142-L147 HydrophobicContact CG-CB 4.28Å; P142-P150 HydrophobicContact CG-CG 4.31Å
143L35.4Very low48.3Very low133 Ų13383.3 Ų83.370%0.69653%0.527SS*.SBendtrans-66.180.9-178.4-73.1156.4000113.1C137C137-L143 WeakPolarHBondContact SG-CD2 3.49Å
144S41.8Very low49.3Very low35 Ų3581.4 Ų81.425%0.24551%0.513CS..  trans163.8136.3154.2174.10000110.9T136 P142 S146 L147T136-S144 PolarHBondContact O-N 3.49Å; P142-S144 PolarHBondContact O-N 3.11Å; S144-S146 PolarHBondContact O-N 2.86Å; S144-S146 WeakPolarHBondContact OG-CB 3.44Å; S144-S146 PolarHBondContact OG-N 3.02Å; S144-S146 VanDerWaalsContact OG-N 3.09Å; S144-L147 WeakPolarHBondContact O-CA 3.35Å; S144-L147 WeakPolarHBondContact O-CB 3.21Å; S144-L147 PolarHBondContact O-N 3.39Å
145P41.9Very low50.6Low95 Ų9584.1 Ų84.162%0.61753%0.528SS*.THydrogen-bonded Turntrans-65.8-17.4171.8-1832.2000113.8L147P145-L147 VanDerWaalsContact C-N 3.27Å
146S46.3Very low52Low70 Ų7078.3 Ų78.349%0.4950%0.501SS..THydrogen-bonded Turntrans-73.6-21.6170.4-53.70000111.9S144 T148S144-S146 PolarHBondContact O-N 2.86Å; S144-S146 WeakPolarHBondContact OG-CB 3.44Å; S144-S146 PolarHBondContact OG-N 3.02Å; S144-S146 VanDerWaalsContact OG-N 3.09Å; S146-T148 VanDerWaalsContact C-N 3.32Å; S146-T148 PolarHBondContact O-N 3.27Å
147L44.5Very low53.9Low63 Ų6378.2 Ų78.233%0.3350%0.503SS..  trans-87.371.1172.9-62.7171.9000110.1P142 S144 P145 T149P142-L147 HydrophobicContact CB-CD1 4.38Å; P142-L147 HydrophobicContact CG-CB 4.28Å; S144-L147 WeakPolarHBondContact O-CA 3.35Å; S144-L147 WeakPolarHBondContact O-CB 3.21Å; S144-L147 PolarHBondContact O-N 3.39Å; P145-L147 VanDerWaalsContact C-N 3.27Å; L147-T149 PolarHBondContact O-N 3.45Å
148T46.9Very low55.8Low81 Ų8182.4 Ų82.450%0.49752%0.522SS..  trans-50.9134.4150.952.90000108.3S146S146-T148 VanDerWaalsContact C-N 3.32Å; S146-T148 PolarHBondContact O-N 3.27Å
149T51.9Low57.7Low118 Ų11881.1 Ų81.172%0.72452%0.52SS*.SBendtrans-13114.4-177.6-51.20000113.9L147 L151L147-T149 PolarHBondContact O-N 3.45Å; T149-L151 PolarHBondContact O-N 3.05Å
150P51.3Low59.7Low92 Ų9276.7 Ų76.760%0.59749%0.485SS*.  trans-45.9106.5-169.8-31.135000111.7P142P142-P150 HydrophobicContact CG-CG 4.31Å
151L57.1Low61.6Low69 Ų6975.2 Ų75.236%0.36146%0.456SS..PPolyproline II helixtrans-69.9141.6-176.6-69.7168.4000107.8T149 P153T149-L151 PolarHBondContact O-N 3.05Å; L151-P153 VanDerWaalsContact O-N 3.17Å
152P64.3Low63.6Low112 Ų11280.5 Ų80.573%0.72747%0.474SS*.PPolyproline II helixtrans-54.4126.9-176.521.1-32.5000109.2L154P152-L154 PolarHBondContact O-N 3.44Å
153P66.5Low65.9Low80 Ų8083.7 Ų83.752%0.51948%0.484SS..PPolyproline II helixtrans-59.7139-171.321.9-32.6000110.5L151 D155 P168 L169L151-P153 VanDerWaalsContact O-N 3.17Å; P153-D155 PolarHBondContact O-N 3.43Å; P153-P168 HydrophobicContact CB-CB 3.97Å; P153-L169 HydrophobicContact CB-CD2 4.32Å; P153-L169 HydrophobicContact CG-CD2 4.33Å
154L69.9Low68.4Low48 Ų4878.9 Ų78.925%0.25146%0.459SS..PPolyproline II helixtrans-61127.9175.6-81.8145.5000109.9P152 I156 Y166P152-L154 PolarHBondContact O-N 3.44Å; L154-I156 VanDerWaalsContact C-N 3.32Å; L154-I156 HydrophobicContact CB-CG2 4.32Å; L154-I156 PolarHBondContact O-N 3.01Å; L154-Y166 HydrophobicContact CB-CE1 4.42Å; L154-Y166 HydrophobicContact CD1-CE1 3.66Å
155D75Confident70.6Confident144 Ų14477.8 Ų77.877%0.7745%0.453SS*.  trans-74.384176.5-176.422.2000110.8P153 R235P153-D155 PolarHBondContact O-N 3.43Å; D155-R235 PolarHBondContact O-NH1 3.01Å; D155-R235 PolarHBondContact O-NH2 3.21Å
156I80.7Confident72.6Confident23 Ų2373.5 Ų73.512%0.11843%0.425CS..  trans-123.3140.9177.964.3174.8000110.6L154 E160 Q161 L164 Y166 P168 V229 L233L154-I156 VanDerWaalsContact C-N 3.32Å; L154-I156 HydrophobicContact CB-CG2 4.32Å; L154-I156 PolarHBondContact O-N 3.01Å; I156-E160 HydrophobicContact CB-CB 4.07Å; I156-Q161 HydrophobicContact CD1-CB 3.9Å; I156-Q161 HydrophobicContact CG1-CB 4.37Å; I156-L164 HydrophobicContact CD1-CD1 4.06Å; I156-Y166 HydrophobicContact CD1-CD1 3.97Å; I156-P168 HydrophobicContact CD1-CG 3.75Å; I156-P168 HydrophobicContact CG1-CG 3.8Å; I156-V229 HydrophobicContact CG2-CG1 4.42Å; I156-L233 HydrophobicContact CG2-CD1 4.08Å
157S86.1Confident74.4Confident60 Ų6071.9 Ų71.942%0.4241%0.41SS..  trans-72160.6173.163.70000111.5A159 E160 Q161S157-A159 PolarHBondContact O-N 3Å; S157-A159 VanDerWaalsContact O-N 3.16Å; S157-E160 WeakPolarHBondContact CB-OE2 3.43Å; S157-E160 PolarHBondContact N-OE2 3.22Å; S157-E160 PolarHBondContact O-N 2.77Å; S157-E160 VanDerWaalsContact OG-CD 3.31Å; S157-E160 WeakPolarHBondContact OG-CG 3.29Å; S157-E160 PolarHBondContact OG-OE2 2.85Å; S157-Q161 PolarHBondContact O-N 2.87Å
158L85.3Confident76Confident123 Ų12369.8 Ų69.864%0.64440%0.4SS*.Hα-helixtrans-55.2-35.4179.8-171.766.6000113Q161 Q162L158-Q161 PolarHBondContact O-N 3.32Å; L158-Q162 WeakPolarHBondContact O-CG 3.34Å; L158-Q162 PolarHBondContact O-N 2.97Å
159A86.2Confident77.2Confident65 Ų6573.8 Ų73.854%0.53742%0.417SS..Hα-helixtrans-70.2-38.1176.300000112.7S157 Q162 Q163S157-A159 PolarHBondContact O-N 3Å; S157-A159 VanDerWaalsContact O-N 3.16Å; A159-Q162 PolarHBondContact O-N 2.94Å; A159-Q163 WeakPolarHBondContact O-CB 3.47Å; A159-Q163 PolarHBondContact O-N 3Å
160E88Confident78.4Confident33 Ų3375 Ų7515%0.15441%0.408CS..Hα-helixtrans-71-34.9174.9-66.9164.6124.400111.1I156 S157 Q163 L164 L233 R235I156-E160 HydrophobicContact CB-CB 4.07Å; S157-E160 WeakPolarHBondContact CB-OE2 3.43Å; S157-E160 PolarHBondContact N-OE2 3.22Å; S157-E160 PolarHBondContact O-N 2.77Å; S157-E160 VanDerWaalsContact OG-CD 3.31Å; S157-E160 WeakPolarHBondContact OG-CG 3.29Å; S157-E160 PolarHBondContact OG-OE2 2.85Å; E160-Q163 PolarHBondContact O-N 2.73Å; E160-L164 WeakPolarHBondContact O-CB 3.5Å; E160-L164 WeakPolarHBondContact O-CD1 3.47Å; E160-L164 VanDerWaalsContact O-CG 3.27Å; E160-L164 WeakPolarHBondContact O-CG 3.46Å; E160-L164 PolarHBondContact O-N 2.97Å; E160-L233 HydrophobicContact CB-CD1 3.93Å; E160-L233 HydrophobicContact CB-CD2 3.96Å; E160-L233 HydrophobicContact CG-CD1 3.99Å; E160-L233 HydrophobicContact CG-CD2 3.95Å; E160-L233 HydrophobicContact CG-CG 4.46Å; E160-R235 IonicContact OE1-CZ 3.8Å; E160-R235 VanDerWaalsContact OE1-CZ 3.3Å; E160-R235 IonicContact OE1-NE 3.42Å; E160-R235 PolarHBondContact OE1-NE 3.19Å; E160-R235 IonicContact OE1-NH2 2.73Å; E160-R235 PolarHBondContact OE1-NH2 2.72Å; E160-R235 IonicContact OE2-CZ 3.32Å; E160-R235 IonicContact OE2-NH2 3.12Å; E160-R235 PolarHBondContact OE2-NH2 3.48Å
161Q87.8Confident79.5Confident51 Ų5171.8 Ų71.824%0.23839%0.387CS..Hα-helixtrans-58.7-50.2170155.7160.719.100111.4I156 S157 L158 Q163 L164 G165 Y166I156-Q161 HydrophobicContact CD1-CB 3.9Å; I156-Q161 HydrophobicContact CG1-CB 4.37Å; S157-Q161 PolarHBondContact O-N 2.87Å; L158-Q161 PolarHBondContact O-N 3.32Å; Q161-Q163 VanDerWaalsContact C-N 3.35Å; Q161-Q163 PolarHBondContact O-N 3.28Å; Q161-L164 PolarHBondContact O-N 3.38Å; Q161-G165 WeakPolarHBondContact O-CA 3.33Å; Q161-G165 PolarHBondContact O-N 3.22Å; Q161-Y166 VanDerWaalsContact CG-O 3.27Å; Q161-Y166 WeakPolarHBondContact CG-O 3.29Å; Q161-Y166 PolarHBondContact O-N 3.01Å
162Q87.9Confident80.6Confident135 Ų13570.5 Ų70.563%0.63138%0.38SS*.Hα-helixtrans-62.2-39.9176.3-73.7173.8-14.900112.2L158 A159 L164 G165L158-Q162 WeakPolarHBondContact O-CG 3.34Å; L158-Q162 PolarHBondContact O-N 2.97Å; A159-Q162 PolarHBondContact O-N 2.94Å; Q162-L164 VanDerWaalsContact C-N 3.31Å; Q162-L164 PolarHBondContact O-N 3.16Å; Q162-G165 PolarHBondContact O-N 3.43Å
163Q88.6Confident81.6Confident127 Ų12767.7 Ų67.759%0.59336%0.355SS*.Hα-helixtrans-66.3-32.4177.8-174.4-178.8-5.800113A159 E160 Q161A159-Q163 WeakPolarHBondContact O-CB 3.47Å; A159-Q163 PolarHBondContact O-N 3Å; E160-Q163 PolarHBondContact O-N 2.73Å; Q161-Q163 VanDerWaalsContact C-N 3.35Å; Q161-Q163 PolarHBondContact O-N 3.28Å
164L87.4Confident82.5Confident32 Ų3269.6 Ų69.617%0.16836%0.357CS..Hα-helixtrans-87.5-16.8177.5-70.2167.4000113.3I156 E160 Q161 Q162 Y166 V229 F232 L233I156-L164 HydrophobicContact CD1-CD1 4.06Å; E160-L164 WeakPolarHBondContact O-CB 3.5Å; E160-L164 WeakPolarHBondContact O-CD1 3.47Å; E160-L164 VanDerWaalsContact O-CG 3.27Å; E160-L164 WeakPolarHBondContact O-CG 3.46Å; E160-L164 PolarHBondContact O-N 2.97Å; Q161-L164 PolarHBondContact O-N 3.38Å; Q162-L164 VanDerWaalsContact C-N 3.31Å; Q162-L164 PolarHBondContact O-N 3.16Å; L164-Y166 PolarHBondContact O-N 3.35Å; L164-V229 HydrophobicContact CD1-CG1 3.69Å; L164-F232 HydrophobicContact CD2-CD1 3.65Å; L164-F232 HydrophobicContact CD2-CE1 3.74Å; L164-L233 HydrophobicContact CD1-CD1 4.21Å; L164-L233 HydrophobicContact CD1-CD2 4.29Å; L164-L233 HydrophobicContact CG-CD2 4.25Å
165G88Confident83.3Confident12 Ų1273.8 Ų73.812%0.12438%0.379CS..THydrogen-bonded Turntrans53.637.8-164.300000111.9Q161 Q162 Y173 E174Q161-G165 WeakPolarHBondContact O-CA 3.33Å; Q161-G165 PolarHBondContact O-N 3.22Å; Q162-G165 PolarHBondContact O-N 3.43Å; G165-Y173 CarbonylContact O-C 3.6Å; G165-Y173 VanDerWaalsContact O-CA 3.23Å; G165-Y173 WeakPolarHBondContact O-CA 3.38Å; G165-E174 PolarHBondContact O-N 3.4Å
166Y85.8Confident83.8Confident6 Ų667.9 Ų67.92%0.02435%0.346CS..EExtended strand (participates in β ladder)trans-119.2129.9-171.4175.5-101.3000111.8L154 I156 Q161 L164 P168 D171 Y173L154-Y166 HydrophobicContact CB-CE1 4.42Å; L154-Y166 HydrophobicContact CD1-CE1 3.66Å; I156-Y166 HydrophobicContact CD1-CD1 3.97Å; Q161-Y166 VanDerWaalsContact CG-O 3.27Å; Q161-Y166 WeakPolarHBondContact CG-O 3.29Å; Q161-Y166 PolarHBondContact O-N 3.01Å; L164-Y166 PolarHBondContact O-N 3.35Å; Y166-P168 HydrophobicContact CD1-CG 4.08Å; Y166-P168 HydrophobicContact CE1-CB 4.06Å; Y166-P168 HydrophobicContact CE1-CG 4.05Å; Y166-P168 WeakPolarHBondContact O-CD 3.28Å; Y166-D171 PolarHBondContact OH-OD1 2.95Å; Y166-Y173 AromaticContact CD2-CD1 3.9Å; Y166-Y173 HydrophobicContact CD2-CD1 3.9Å; Y166-Y173 HydrophobicContact CD2-CD2 4.07Å; Y166-Y173 AromaticContact CD2-CE1 3.65Å; Y166-Y173 HydrophobicContact CD2-CE1 3.65Å; Y166-Y173 AromaticContact CD2-CE2 3.81Å; Y166-Y173 HydrophobicContact CD2-CE2 3.81Å; Y166-Y173 HydrophobicContact CD2-CG 4.1Å; Y166-Y173 AromaticContact CD2-CZ 3.59Å; Y166-Y173 HydrophobicContact CE2-CE2 4.22Å; Y166-Y173 HydrophobicContact CG-CD1 4.31Å; Y166-Y173 HydrophobicContact CG-CE1 4Å
167M83.3Confident84.1Confident35 Ų3571.4 Ų71.417%0.17236%0.359CS..EExtended strand (participates in β ladder)trans-101.299.4-176.3-66.7170.3-85.300110.5L169 R170 D171 D172 E174M167-L169 VanDerWaalsContact C-N 3.3Å; M167-L169 PolarHBondContact O-N 2.91Å; M167-R170 HydrophobicContact CB-CB 4.08Å; M167-R170 PolarHBondContact O-N 3.37Å; M167-R170 PolarHBondContact SD-NH1 2.91Å; M167-R170 VanDerWaalsContact SD-NH1 3.44Å; M167-D171 PolarHBondContact O-N 2.98Å; M167-D171 VanDerWaalsContact O-N 3.13Å; M167-D172 HydrophobicContact CE-CB 4.23Å; M167-D172 PolarHBondContact N-O 2.87Å; M167-E174 HydrophobicContact CE-CG 4.11Å
168P76.9Confident84.2Confident20 Ų2070.9 Ų70.913%0.1335%0.351CS..THydrogen-bonded Turntrans-65-29.2-167-24.436.4000114.9P153 I156 Y166 R170P153-P168 HydrophobicContact CB-CB 3.97Å; I156-P168 HydrophobicContact CD1-CG 3.75Å; I156-P168 HydrophobicContact CG1-CG 3.8Å; Y166-P168 HydrophobicContact CD1-CG 4.08Å; Y166-P168 HydrophobicContact CE1-CB 4.06Å; Y166-P168 HydrophobicContact CE1-CG 4.05Å; Y166-P168 WeakPolarHBondContact O-CD 3.28Å; P168-R170 VanDerWaalsContact C-N 3.31Å
169L74.1Confident84.3Confident164 Ų16469.9 Ų69.986%0.85934%0.343SS*.THydrogen-bonded Turntrans-80.4-10.1178.1-60.4178.3000113.5P153 M167P153-L169 HydrophobicContact CB-CD2 4.32Å; P153-L169 HydrophobicContact CG-CD2 4.33Å; M167-L169 VanDerWaalsContact C-N 3.3Å; M167-L169 PolarHBondContact O-N 2.91Å
170R75.4Confident84.5Confident143 Ų14370.6 Ų70.654%0.5434%0.338SS..THydrogen-bonded Turntrans-108-14.4176.6-73.5176.252.5176.7-4.3113.7M167 P168 D172M167-R170 HydrophobicContact CB-CB 4.08Å; M167-R170 PolarHBondContact O-N 3.37Å; M167-R170 PolarHBondContact SD-NH1 2.91Å; M167-R170 VanDerWaalsContact SD-NH1 3.44Å; P168-R170 VanDerWaalsContact C-N 3.31Å; R170-D172 VanDerWaalsContact C-N 3.28Å; R170-D172 HydrophobicContact CB-CB 3.69Å; R170-D172 IonicContact CZ-OD2 3.55Å; R170-D172 IonicContact NE-OD2 2.91Å; R170-D172 IonicContact NH2-OD2 3.25Å; R170-D172 PolarHBondContact NH2-OD2 2.94Å; R170-D172 PolarHBondContact O-N 2.87Å
171D74.8Confident84.6Confident26 Ų2669 Ų6914%0.13933%0.331CS..THydrogen-bonded Turntrans5343.9-166.5-1625.5000112.5Y166 M167 K220 R224Y166-D171 PolarHBondContact OH-OD1 2.95Å; M167-D171 PolarHBondContact O-N 2.98Å; M167-D171 VanDerWaalsContact O-N 3.13Å; D171-K220 WeakPolarHBondContact O-CE 3.45Å; D171-K220 PolarHBondContact O-NZ 3.37Å; D171-R224 IonicContact OD1-CZ 2.77Å; D171-R224 IonicContact OD1-NH1 2.72Å; D171-R224 IonicContact OD1-NH2 3.09Å; D171-R224 PolarHBondContact OD1-NH2 3.07Å; D171-R224 IonicContact OD2-CZ 2.79Å; D171-R224 IonicContact OD2-NH1 2.86Å; D171-R224 PolarHBondContact OD2-NH1 3.31Å; D171-R224 IonicContact OD2-NH2 2.82Å; D171-R224 PolarHBondContact OD2-NH2 3Å
172D79.8Confident84.7Confident41 Ų4169.7 Ų69.722%0.21933%0.334CS..EExtended strand (participates in β ladder)trans-141.9143.1-163.1-144.730.1000112.5M167 R170 E176 K220M167-D172 HydrophobicContact CE-CB 4.23Å; M167-D172 PolarHBondContact N-O 2.87Å; R170-D172 VanDerWaalsContact C-N 3.28Å; R170-D172 HydrophobicContact CB-CB 3.69Å; R170-D172 IonicContact CZ-OD2 3.55Å; R170-D172 IonicContact NE-OD2 2.91Å; R170-D172 IonicContact NH2-OD2 3.25Å; R170-D172 PolarHBondContact NH2-OD2 2.94Å; R170-D172 PolarHBondContact O-N 2.87Å; D172-E176 VanDerWaalsContact OD1-OE1 3.12Å; D172-K220 IonicContact OD1-NZ 2.7Å; D172-K220 PolarHBondContact OD1-NZ 2.8Å
173Y85.1Confident84.9Confident54 Ų5469.6 Ų69.621%0.21233%0.331CS..EExtended strand (participates in β ladder)trans-96.7150.4175.3-66.1-89.5000111.4G165 Y166 I175 E176 K220G165-Y173 CarbonylContact O-C 3.6Å; G165-Y173 VanDerWaalsContact O-CA 3.23Å; G165-Y173 WeakPolarHBondContact O-CA 3.38Å; Y166-Y173 AromaticContact CD2-CD1 3.9Å; Y166-Y173 HydrophobicContact CD2-CD1 3.9Å; Y166-Y173 HydrophobicContact CD2-CD2 4.07Å; Y166-Y173 AromaticContact CD2-CE1 3.65Å; Y166-Y173 HydrophobicContact CD2-CE1 3.65Å; Y166-Y173 AromaticContact CD2-CE2 3.81Å; Y166-Y173 HydrophobicContact CD2-CE2 3.81Å; Y166-Y173 HydrophobicContact CD2-CG 4.1Å; Y166-Y173 AromaticContact CD2-CZ 3.59Å; Y166-Y173 HydrophobicContact CE2-CE2 4.22Å; Y166-Y173 HydrophobicContact CG-CD1 4.31Å; Y166-Y173 HydrophobicContact CG-CE1 4Å; Y173-I175 VanDerWaalsContact C-N 3.26Å; Y173-I175 WeakPolarHBondContact CB-O 3.35Å; Y173-E176 WeakPolarHBondContact CD2-OE1 3.43Å; Y173-E176 PolarHBondContact N-OE1 2.81Å; Y173-K220 HydrophobicContact CE2-CG 4.22Å
174E86.9Confident84.9Confident120 Ų12065.6 Ų65.656%0.56131%0.314SS*.SBendtrans-65.7-32.7171.7-68.3175.4-175.700111.5G165 M167G165-E174 PolarHBondContact O-N 3.4Å; M167-E174 HydrophobicContact CE-CG 4.11Å
175I86.8Confident85.1Confident136 Ų13666.6 Ų66.670%0.69732%0.319SS*.SBendtrans-125.6110.4170.5-55.7176.8000107Y173Y173-I175 VanDerWaalsContact C-N 3.26Å; Y173-I175 WeakPolarHBondContact CB-O 3.35Å
176E85.9Confident85.3Confident19 Ų1970.8 Ų70.89%0.08935%0.346CS..  trans-83.9161.9-178.4-84.6-64.3160.400112.5D172 Y173 D178 Q179 R216 K220D172-E176 VanDerWaalsContact OD1-OE1 3.12Å; Y173-E176 WeakPolarHBondContact CD2-OE1 3.43Å; Y173-E176 PolarHBondContact N-OE1 2.81Å; E176-D178 PolarHBondContact O-N 3.31Å; E176-Q179 PolarHBondContact O-N 3.03Å; E176-R216 HydrophobicContact CB-CG 4.47Å; E176-R216 VanDerWaalsContact OE2-CD 3.25Å; E176-R216 WeakPolarHBondContact OE2-CD 3.24Å; E176-R216 WeakPolarHBondContact OE2-CG 3.44Å; E176-K220 WeakPolarHBondContact OE1-CE 3.36Å; E176-K220 IonicContact OE1-NZ 3.08Å; E176-K220 PolarHBondContact OE1-NZ 3.17Å; E176-K220 WeakPolarHBondContact OE2-CE 3.35Å; E176-K220 IonicContact OE2-NZ 3.22Å
177Y86.1Confident85.3Confident98 Ų9874 Ų7438%0.38438%0.381SS..THydrogen-bonded Turntrans-66.4128.4169.1177.3-104000110.2E215 R216 R219Y177-E215 HydrophobicContact CD1-CG 3.98Å; Y177-E215 HydrophobicContact CE1-CG 3.47Å; Y177-E215 VanDerWaalsContact CE1-CG 3.47Å; Y177-R216 PolarHBondContact O-NE 3.31Å; Y177-R219 VanDerWaalsContact CG-CD 3.46Å; Y177-R219 PolarHBondContact OH-NH2 3.45Å
178D87.8Confident85.6Confident49 Ų4975 Ų7526%0.26239%0.386SS..THydrogen-bonded Turntrans56.763.5-173-163.8-12.2000110.8E176 D180 A181 K212 R216E176-D178 PolarHBondContact O-N 3.31Å; D178-D180 PolarHBondContact O-N 3.05Å; D178-D180 VanDerWaalsContact O-N 3.08Å; D178-A181 WeakPolarHBondContact O-CB 3.45Å; D178-A181 PolarHBondContact O-N 3.33Å; D178-K212 IonicContact OD1-NZ 3.95Å; D178-K212 PolarHBondContact OD1-NZ 3.37Å; D178-K212 WeakPolarHBondContact OD2-CD 3.37Å; D178-K212 WeakPolarHBondContact OD2-CE 3.32Å; D178-K212 WeakPolarHBondContact OD2-CG 3.44Å; D178-K212 IonicContact OD2-NZ 2.68Å; D178-K212 PolarHBondContact OD2-NZ 3.15Å; D178-R216 PolarHBondContact O-NH2 3.48Å
179Q88.7Confident86.1Confident101 Ų10177.1 Ų77.147%0.47240%0.402SS..THydrogen-bonded Turntrans-56-19.6179.7-172.961.934.300113.8E176E176-Q179 PolarHBondContact O-N 3.03Å
180D90.3Very high86.6Confident80 Ų8075.5 Ų75.543%0.42840%0.399SS..THydrogen-bonded Turntrans-94.68.7179.9-82.7-6.7000112.9D178 E182 K183D178-D180 PolarHBondContact O-N 3.05Å; D178-D180 VanDerWaalsContact O-N 3.08Å; D180-E182 PolarHBondContact O-N 2.96Å; D180-K183 HydrophobicContact CB-CD 3.96Å; D180-K183 HydrophobicContact CB-CG 4.42Å; D180-K183 VanDerWaalsContact CG-CE 3.41Å; D180-K183 WeakPolarHBondContact O-CB 3.16Å; D180-K183 PolarHBondContact O-N 2.9Å; D180-K183 WeakPolarHBondContact OD1-CE 3.34Å; D180-K183 IonicContact OD1-NZ 2.8Å; D180-K183 PolarHBondContact OD1-NZ 3.28Å; D180-K183 IonicContact OD2-NZ 2.91Å; D180-K183 PolarHBondContact OD2-NZ 3.23Å
181A89.6Confident87Confident0 Ų072.2 Ų72.20%039%0.392CS..G310 helixtrans-56.7-41.3178.300000112.2D178 K183 L184 Y209 K212D178-A181 WeakPolarHBondContact O-CB 3.45Å; D178-A181 PolarHBondContact O-N 3.33Å; A181-K183 PolarHBondContact O-N 2.68Å; A181-L184 WeakPolarHBondContact O-CB 3.36Å; A181-L184 PolarHBondContact O-N 3.4Å; A181-L184 VanDerWaalsContact O-N 3.14Å; A181-Y209 HydrophobicContact CB-CD2 4.06Å; A181-Y209 HydrophobicContact CB-CE2 4.18Å; A181-Y209 WeakPolarHBondContact O-CD2 3.44Å; A181-K212 HydrophobicContact CB-CB 3.83Å; A181-K212 HydrophobicContact CB-CD 3.47Å; A181-K212 VanDerWaalsContact CB-CD 3.47Å; A181-K212 HydrophobicContact CB-CG 4.31Å
182E89.7Confident87.2Confident65 Ų6581.4 Ų81.430%0.30443%0.426SS..G310 helixtrans-64.4-24.7-178.3-69.570.9-165.500112.4D180 L184 I185 S186 Y209 R216D180-E182 PolarHBondContact O-N 2.96Å; E182-L184 PolarHBondContact O-N 2.93Å; E182-I185 VanDerWaalsContact O-CG1 3.26Å; E182-I185 WeakPolarHBondContact O-CG1 3.32Å; E182-I185 PolarHBondContact O-N 3.03Å; E182-S186 PolarHBondContact O-N 3.05Å; E182-Y209 HydrophobicContact CG-CE2 4.06Å; E182-R216 IonicContact OE1-CZ 3.72Å; E182-R216 IonicContact OE1-NH1 3.58Å; E182-R216 PolarHBondContact OE1-NH1 2.8Å; E182-R216 IonicContact OE1-NH2 2.65Å; E182-R216 PolarHBondContact OE1-NH2 3.12Å; E182-R216 VanDerWaalsContact OE1-NH2 3.13Å; E182-R216 IonicContact OE2-CZ 3.29Å; E182-R216 IonicContact OE2-NH1 2.69Å; E182-R216 IonicContact OE2-NH2 3.24Å; E182-R216 PolarHBondContact OE2-NH2 2.93Å
183K91.3Very high87.5Confident134 Ų13484.7 Ų84.758%0.58344%0.444SS*.G310 helixtrans-62.2-22173.6-64.5-178.5178.4165.40113.2D180 A181 I185 S186D180-K183 HydrophobicContact CB-CD 3.96Å; D180-K183 HydrophobicContact CB-CG 4.42Å; D180-K183 VanDerWaalsContact CG-CE 3.41Å; D180-K183 WeakPolarHBondContact O-CB 3.16Å; D180-K183 PolarHBondContact O-N 2.9Å; D180-K183 WeakPolarHBondContact OD1-CE 3.34Å; D180-K183 IonicContact OD1-NZ 2.8Å; D180-K183 PolarHBondContact OD1-NZ 3.28Å; D180-K183 IonicContact OD2-NZ 2.91Å; D180-K183 PolarHBondContact OD2-NZ 3.23Å; A181-K183 PolarHBondContact O-N 2.68Å; K183-I185 PolarHBondContact O-N 3.22Å; K183-S186 PolarHBondContact O-OG 3.25Å
184L89.7Confident87.7Confident42 Ų4282.9 Ų82.922%0.2244%0.438CS..G310 helixtrans-67.9-23.8175.2-69.2177.7000113.1A181 E182 M208 K212A181-L184 WeakPolarHBondContact O-CB 3.36Å; A181-L184 PolarHBondContact O-N 3.4Å; A181-L184 VanDerWaalsContact O-N 3.14Å; E182-L184 PolarHBondContact O-N 2.93Å; L184-M208 HydrophobicContact CD1-CB 3.86Å; L184-M208 HydrophobicContact CD1-CE 4.11Å; L184-M208 HydrophobicContact CD2-CE 3.8Å; L184-K212 HydrophobicContact CD1-CD 3.84Å
185I92.4Very high87.9Confident54 Ų5483.8 Ų83.828%0.27744%0.442SS..THydrogen-bonded Turntrans-116.4-15.6-174.761.9165.2000113.4E182 K183 G187 L188 V206 Y209E182-I185 VanDerWaalsContact O-CG1 3.26Å; E182-I185 WeakPolarHBondContact O-CG1 3.32Å; E182-I185 PolarHBondContact O-N 3.03Å; K183-I185 PolarHBondContact O-N 3.22Å; I185-G187 PolarHBondContact O-N 3.44Å; I185-G187 VanDerWaalsContact O-N 3.09Å; I185-L188 HydrophobicContact CB-CD1 4.08Å; I185-L188 HydrophobicContact CG2-CD1 3.9Å; I185-L188 WeakPolarHBondContact O-CB 3.4Å; I185-L188 PolarHBondContact O-N 3.23Å; I185-L188 VanDerWaalsContact O-N 3.07Å; I185-V206 HydrophobicContact CG2-CG2 4.41Å; I185-Y209 HydrophobicContact CD1-CD1 3.88Å; I185-Y209 HydrophobicContact CD1-CD2 4.42Å; I185-Y209 HydrophobicContact CD1-CE1 3.6Å; I185-Y209 HydrophobicContact CD1-CE2 4.19Å; I185-Y209 HydrophobicContact CD1-CG 4.27Å; I185-Y209 HydrophobicContact CG2-CD1 4.08Å; I185-Y209 HydrophobicContact CG2-CG 3.92Å
186S90.8Very high87.9Confident100 Ų10083.8 Ų83.870%0.69944%0.443SS*.THydrogen-bonded Turntrans-61.9-20-174.8630000115.3E182 K183E182-S186 PolarHBondContact O-N 3.05Å; K183-S186 PolarHBondContact O-OG 3.25Å
187G86.4Confident88Confident73 Ų7388 Ų8875%0.75347%0.47SS*.THydrogen-bonded Turntrans-109.511.417700000114.6I185 S189I185-G187 PolarHBondContact O-N 3.44Å; I185-G187 VanDerWaalsContact O-N 3.09Å; G187-S189 PolarHBondContact O-N 3.21Å
188L89.5Confident88.1Confident55 Ų5587.7 Ų87.729%0.28847%0.472SS..  trans-85.3107.9179.8-65.8-179.2000111I185 K202 H205 V206I185-L188 HydrophobicContact CB-CD1 4.08Å; I185-L188 HydrophobicContact CG2-CD1 3.9Å; I185-L188 WeakPolarHBondContact O-CB 3.4Å; I185-L188 PolarHBondContact O-N 3.23Å; I185-L188 VanDerWaalsContact O-N 3.07Å; L188-K202 HydrophobicContact CD2-CB 4.46Å; L188-K202 HydrophobicContact CD2-CG 4.17Å; L188-H205 HydrophobicContact CD1-CB 3.95Å; L188-H205 HydrophobicContact CD2-CB 4.27Å; L188-V206 HydrophobicContact CD1-CG2 3.88Å
189S87.6Confident88.1Confident65 Ų6588 Ų8846%0.45547%0.473SS..  trans-89.6156.216067.90000110.8G187 N191 K202G187-S189 PolarHBondContact O-N 3.21Å; S189-N191 PolarHBondContact OG-OD1 3.02Å; S189-K202 WeakPolarHBondContact O-CD 3.07Å; S189-K202 VanDerWaalsContact O-CE 3.31Å; S189-K202 WeakPolarHBondContact O-CE 3.21Å; S189-K202 PolarHBondContact O-NZ 3.16Å
190V84.4Confident88.1Confident131 Ų13189.3 Ų89.379%0.79448%0.479SS*.  trans-120.3118.3170.8179.40000107
191N83.9Confident88Confident73 Ų7390.3 Ų90.339%0.3948%0.484SS..  trans-113.9160.1-178-38-58.8000109.5S189 D193 D194S189-N191 PolarHBondContact OG-OD1 3.02Å; N191-D193 VanDerWaalsContact C-N 3.32Å; N191-D193 WeakPolarHBondContact CB-OD1 3.32Å; N191-D194 WeakPolarHBondContact CB-OD1 3.26Å; N191-D194 PolarHBondContact N-OD2 2.65Å; N191-D194 PolarHBondContact ND2-OD1 3.49Å
192Y79.4Confident88.1Confident219 Ų21992 Ų9286%0.85949%0.491SS*.THydrogen-bonded Turntrans-80.7-17.2-177.967.1-92.2000113.1
193D85.9Confident88.1Confident110 Ų11097.2 Ų97.259%0.58851%0.508SS*.THydrogen-bonded Turntrans-1044.4-178.661.3-35.9000113.3N191 E195N191-D193 VanDerWaalsContact C-N 3.32Å; N191-D193 WeakPolarHBondContact CB-OD1 3.32Å; D193-E195 PolarHBondContact O-N 3.32Å
194D87.9Confident88.1Confident17 Ų1792.9 Ų92.99%0.09150%0.497CS..  trans-52.8127.4174.5-74-23.7000111.4N191 I199 K202N191-D194 WeakPolarHBondContact CB-OD1 3.26Å; N191-D194 PolarHBondContact N-OD2 2.65Å; N191-D194 PolarHBondContact ND2-OD1 3.49Å; D194-I199 HydrophobicContact CB-CD1 4.22Å; D194-I199 HydrophobicContact CB-CG1 3.74Å; D194-K202 IonicContact OD1-NZ 3.3Å; D194-K202 PolarHBondContact OD1-NZ 3.29Å; D194-K202 IonicContact OD2-NZ 3.33Å; D194-K202 PolarHBondContact OD2-NZ 3.34Å
195E91Very high88.1Confident138 Ų13893.2 Ų93.265%0.64550%0.498SS*.  trans-66.9152.3172.7-65.3-169.3177.900111.5D193 V197 E198 I199D193-E195 PolarHBondContact O-N 3.32Å; E195-V197 PolarHBondContact O-N 3.06Å; E195-E198 HydrophobicContact CB-CG 4.37Å; E195-E198 WeakPolarHBondContact O-CA 3.46Å; E195-E198 WeakPolarHBondContact O-CB 3.41Å; E195-E198 PolarHBondContact O-N 3.21Å; E195-I199 PolarHBondContact O-N 3.32Å
196D87.4Confident88.1Confident137 Ų13793.9 Ų93.973%0.73350%0.504SS*.Hα-helixtrans-48.1-37.1177.4-80-34000113.3I199 E200D196-I199 PolarHBondContact O-N 2.97Å; D196-E200 PolarHBondContact O-N 3.22Å
197V88.6Confident88Confident106 Ų10692.6 Ų92.664%0.64249%0.489SS*.Hα-helixtrans-69.2-36.8179.1-179.50000111.7E195 L201E195-V197 PolarHBondContact O-N 3.06Å; V197-L201 WeakPolarHBondContact O-CB 3.47Å; V197-L201 PolarHBondContact O-N 3.2Å
198E87.6Confident88.1Confident93 Ų9391.6 Ų91.644%0.43547%0.466SS..Hα-helixtrans-71.1-41.1175.1-59.1-165161.200110.6E195 E200 L201 K202E195-E198 HydrophobicContact CB-CG 4.37Å; E195-E198 WeakPolarHBondContact O-CA 3.46Å; E195-E198 WeakPolarHBondContact O-CB 3.41Å; E195-E198 PolarHBondContact O-N 3.21Å; E198-E200 VanDerWaalsContact C-N 3.34Å; E198-E200 PolarHBondContact O-N 2.77Å; E198-L201 PolarHBondContact O-N 3.02Å; E198-L201 VanDerWaalsContact O-N 3.15Å; E198-K202 WeakPolarHBondContact O-CB 3.31Å; E198-K202 VanDerWaalsContact O-CG 3.23Å; E198-K202 WeakPolarHBondContact O-CG 3.4Å; E198-K202 PolarHBondContact O-N 3.2Å
199I87Confident88.3Confident54 Ų5491.2 Ų91.228%0.27746%0.461SS..Hα-helixtrans-59.1-44.7173.5-61.5173.3000110.7D194 E195 D196 R203D194-I199 HydrophobicContact CB-CD1 4.22Å; D194-I199 HydrophobicContact CB-CG1 3.74Å; E195-I199 PolarHBondContact O-N 3.32Å; D196-I199 PolarHBondContact O-N 2.97Å; I199-R203 WeakPolarHBondContact O-CB 3.39Å; I199-R203 VanDerWaalsContact O-CG 3.24Å; I199-R203 WeakPolarHBondContact O-CG 3.43Å; I199-R203 PolarHBondContact O-N 3.22Å
200E89.3Confident88.2Confident130 Ų13090.5 Ų90.561%0.60745%0.454SS*.Hα-helixtrans-62.1-40.7174.1-77.2-164.1159.500112.4D196 E198 R203 A204D196-E200 PolarHBondContact O-N 3.22Å; E198-E200 VanDerWaalsContact C-N 3.34Å; E198-E200 PolarHBondContact O-N 2.77Å; E200-R203 PolarHBondContact O-N 2.91Å; E200-A204 PolarHBondContact O-N 3.13Å
201L88.9Confident88.3Confident100 Ų10090.6 Ų90.652%0.52444%0.44SS..Hα-helixtrans-65.3-46177.1179.362.9000112.2V197 E198 R203 A204 H205V197-L201 WeakPolarHBondContact O-CB 3.47Å; V197-L201 PolarHBondContact O-N 3.2Å; E198-L201 PolarHBondContact O-N 3.02Å; E198-L201 VanDerWaalsContact O-N 3.15Å; L201-R203 VanDerWaalsContact C-N 3.33Å; L201-R203 PolarHBondContact O-N 3.26Å; L201-A204 WeakPolarHBondContact O-CB 3.47Å; L201-A204 PolarHBondContact O-N 3.48Å; L201-A204 VanDerWaalsContact O-N 3.13Å; L201-H205 PolarHBondContact O-N 3.22Å; L201-H205 PolarHBondContact O-ND1 2.79Å
202K91.8Very high88.5Confident36 Ų3689.7 Ų89.716%0.15743%0.433CS..Hα-helixtrans-60.3-43.2176.7-66.9173.7-173.3-1660110.5L188 S189 D194 E198 A204 H205 V206L188-K202 HydrophobicContact CD2-CB 4.46Å; L188-K202 HydrophobicContact CD2-CG 4.17Å; S189-K202 WeakPolarHBondContact O-CD 3.07Å; S189-K202 VanDerWaalsContact O-CE 3.31Å; S189-K202 WeakPolarHBondContact O-CE 3.21Å; S189-K202 PolarHBondContact O-NZ 3.16Å; D194-K202 IonicContact OD1-NZ 3.3Å; D194-K202 PolarHBondContact OD1-NZ 3.29Å; D194-K202 IonicContact OD2-NZ 3.33Å; D194-K202 PolarHBondContact OD2-NZ 3.34Å; E198-K202 WeakPolarHBondContact O-CB 3.31Å; E198-K202 VanDerWaalsContact O-CG 3.23Å; E198-K202 WeakPolarHBondContact O-CG 3.4Å; E198-K202 PolarHBondContact O-N 3.2Å; K202-A204 PolarHBondContact O-N 2.89Å; K202-H205 PolarHBondContact O-N 2.65Å; K202-V206 WeakPolarHBondContact O-CG2 3.35Å; K202-V206 PolarHBondContact O-N 3.05Å; K202-V206 VanDerWaalsContact O-N 3.17Å
203R88.6Confident88.8Confident174 Ų17481.4 Ų81.466%0.65740%0.403SS*.Hα-helixtrans-60-40.7172.4-73.9171179.9179.83112.8I199 E200 L201 V206 D207I199-R203 WeakPolarHBondContact O-CB 3.39Å; I199-R203 VanDerWaalsContact O-CG 3.24Å; I199-R203 WeakPolarHBondContact O-CG 3.43Å; I199-R203 PolarHBondContact O-N 3.22Å; E200-R203 PolarHBondContact O-N 2.91Å; L201-R203 VanDerWaalsContact C-N 3.33Å; L201-R203 PolarHBondContact O-N 3.26Å; R203-V206 PolarHBondContact O-N 3.22Å; R203-D207 WeakPolarHBondContact O-CB 3.12Å; R203-D207 PolarHBondContact O-N 2.94Å
204A91.3Very high88.7Confident43 Ų4384.7 Ų84.736%0.35541%0.407SS..Hα-helixtrans-64.5-40.9178.200000112.5E200 L201 K202 D207 M208E200-A204 PolarHBondContact O-N 3.13Å; L201-A204 WeakPolarHBondContact O-CB 3.47Å; L201-A204 PolarHBondContact O-N 3.48Å; L201-A204 VanDerWaalsContact O-N 3.13Å; K202-A204 PolarHBondContact O-N 2.89Å; A204-D207 PolarHBondContact O-N 3.27Å; A204-M208 WeakPolarHBondContact O-CG 3.47Å; A204-M208 PolarHBondContact O-N 3.47Å
205H90.7Very high88.6Confident50 Ų5086.6 Ų86.623%0.23142%0.415CS..Hα-helixtrans-62.1-43.7174-68.9135.8000112.4L188 L201 K202 M208 Y209L188-H205 HydrophobicContact CD1-CB 3.95Å; L188-H205 HydrophobicContact CD2-CB 4.27Å; L201-H205 PolarHBondContact O-N 3.22Å; L201-H205 PolarHBondContact O-ND1 2.79Å; K202-H205 PolarHBondContact O-N 2.65Å; H205-M208 WeakPolarHBondContact O-CB 3.48Å; H205-M208 PolarHBondContact O-N 3.11Å; H205-Y209 PolarHBondContact O-N 2.69Å
206V92.1Very high88.4Confident68 Ų6881.2 Ų81.241%0.41239%0.389SS..Hα-helixtrans-62.7-43.5175.2174.70000111.5I185 L188 K202 R203 M208 Y209 V210I185-V206 HydrophobicContact CG2-CG2 4.41Å; L188-V206 HydrophobicContact CD1-CG2 3.88Å; K202-V206 WeakPolarHBondContact O-CG2 3.35Å; K202-V206 PolarHBondContact O-N 3.05Å; K202-V206 VanDerWaalsContact O-N 3.17Å; R203-V206 PolarHBondContact O-N 3.22Å; V206-M208 VanDerWaalsContact C-N 3.35Å; V206-M208 PolarHBondContact O-N 3.01Å; V206-Y209 WeakPolarHBondContact O-CB 3.32Å; V206-Y209 PolarHBondContact O-N 3.42Å; V206-V210 HydrophobicContact CG1-CG2 4.45Å; V206-V210 WeakPolarHBondContact O-CG2 3.32Å; V206-V210 PolarHBondContact O-N 3Å
207D88.9Confident88.2Confident72 Ų7276.6 Ų76.639%0.38536%0.363SS..Hα-helixtrans-64.9-34.9176.8172.948.2000112.4R203 A204 R211R203-D207 WeakPolarHBondContact O-CB 3.12Å; R203-D207 PolarHBondContact O-N 2.94Å; A204-D207 PolarHBondContact O-N 3.27Å; D207-R211 WeakPolarHBondContact O-CG 3.48Å; D207-R211 PolarHBondContact O-N 3.45Å; D207-R211 VanDerWaalsContact O-N 3.15Å; D207-R211 PolarHBondContact O-NH1 3.46Å; D207-R211 IonicContact OD1-CZ 2.67Å; D207-R211 IonicContact OD1-NH1 3.52Å; D207-R211 PolarHBondContact OD1-NH1 2.7Å; D207-R211 IonicContact OD1-NH2 2.91Å; D207-R211 PolarHBondContact OD1-NH2 3.36Å; D207-R211 IonicContact OD2-CZ 2.9Å; D207-R211 IonicContact OD2-NH1 2.94Å; D207-R211 PolarHBondContact OD2-NH1 2.68Å; D207-R211 IonicContact OD2-NH2 3Å; D207-R211 PolarHBondContact OD2-NH2 2.91Å
208M88.8Confident88Confident53 Ų5375.6 Ų75.626%0.26135%0.348SS..Hα-helixtrans-64-46.6169.2-73169.152.800112.2L184 A204 H205 V206 V210 R211 K212 L424L184-M208 HydrophobicContact CD1-CB 3.86Å; L184-M208 HydrophobicContact CD1-CE 4.11Å; L184-M208 HydrophobicContact CD2-CE 3.8Å; A204-M208 WeakPolarHBondContact O-CG 3.47Å; A204-M208 PolarHBondContact O-N 3.47Å; H205-M208 WeakPolarHBondContact O-CB 3.48Å; H205-M208 PolarHBondContact O-N 3.11Å; V206-M208 VanDerWaalsContact C-N 3.35Å; V206-M208 PolarHBondContact O-N 3.01Å; M208-V210 PolarHBondContact O-N 2.93Å; M208-R211 WeakPolarHBondContact O-CB 3.47Å; M208-R211 PolarHBondContact O-N 2.96Å; M208-K212 PolarHBondContact O-N 3Å; M208-K212 VanDerWaalsContact O-N 3.12Å; M208-L424 HydrophobicContact CE-CD2 3.48Å; M208-L424 VanDerWaalsContact CE-CD2 3.48Å; M208-L424 HydrophobicContact SD-CD2 4.39Å
209Y92.5Very high87.9Confident46 Ų4676.4 Ų76.418%0.1835%0.347CS..Hα-helixtrans-59.5-44.9176.4171.2-112.9000112A181 E182 I185 H205 V206 R211 K212 L213A181-Y209 HydrophobicContact CB-CD2 4.06Å; A181-Y209 HydrophobicContact CB-CE2 4.18Å; A181-Y209 WeakPolarHBondContact O-CD2 3.44Å; E182-Y209 HydrophobicContact CG-CE2 4.06Å; I185-Y209 HydrophobicContact CD1-CD1 3.88Å; I185-Y209 HydrophobicContact CD1-CD2 4.42Å; I185-Y209 HydrophobicContact CD1-CE1 3.6Å; I185-Y209 HydrophobicContact CD1-CE2 4.19Å; I185-Y209 HydrophobicContact CD1-CG 4.27Å; I185-Y209 HydrophobicContact CG2-CD1 4.08Å; I185-Y209 HydrophobicContact CG2-CG 3.92Å; H205-Y209 PolarHBondContact O-N 2.69Å; V206-Y209 WeakPolarHBondContact O-CB 3.32Å; V206-Y209 PolarHBondContact O-N 3.42Å; Y209-R211 VanDerWaalsContact C-N 3.29Å; Y209-R211 PolarHBondContact O-N 3.13Å; Y209-K212 WeakPolarHBondContact O-CB 3.49Å; Y209-K212 PolarHBondContact O-N 2.84Å; Y209-L213 HydrophobicContact CD1-CD1 4.26Å; Y209-L213 HydrophobicContact CD2-CG 4.45Å; Y209-L213 HydrophobicContact CE1-CD1 3.6Å; Y209-L213 HydrophobicContact CE1-CG 4.19Å; Y209-L213 HydrophobicContact CE2-CD1 4.25Å; Y209-L213 HydrophobicContact CE2-CD2 3.97Å; Y209-L213 HydrophobicContact CE2-CG 4.01Å; Y209-L213 PolarHBondContact O-N 2.98Å
210V86.3Confident87.7Confident50 Ų5074.7 Ų74.730%0.30334%0.337SS..Hα-helixtrans-60.7-36.2175.91710000112V206 M208 L213 R214V206-V210 HydrophobicContact CG1-CG2 4.45Å; V206-V210 WeakPolarHBondContact O-CG2 3.32Å; V206-V210 PolarHBondContact O-N 3Å; M208-V210 PolarHBondContact O-N 2.93Å; V210-L213 PolarHBondContact O-N 3.45Å; V210-R214 VanDerWaalsContact O-CG 3.31Å; V210-R214 WeakPolarHBondContact O-CG 3.31Å; V210-R214 PolarHBondContact O-N 3.01Å
211R85.8Confident87.2Confident133 Ų13371.6 Ų71.650%0.50233%0.325SS..Hα-helixtrans-64-42.7172.3-72.1-175.2-167.3861.2112.3D207 M208 Y209 R214 E215D207-R211 WeakPolarHBondContact O-CG 3.48Å; D207-R211 PolarHBondContact O-N 3.45Å; D207-R211 VanDerWaalsContact O-N 3.15Å; D207-R211 PolarHBondContact O-NH1 3.46Å; D207-R211 IonicContact OD1-CZ 2.67Å; D207-R211 IonicContact OD1-NH1 3.52Å; D207-R211 PolarHBondContact OD1-NH1 2.7Å; D207-R211 IonicContact OD1-NH2 2.91Å; D207-R211 PolarHBondContact OD1-NH2 3.36Å; D207-R211 IonicContact OD2-CZ 2.9Å; D207-R211 IonicContact OD2-NH1 2.94Å; D207-R211 PolarHBondContact OD2-NH1 2.68Å; D207-R211 IonicContact OD2-NH2 3Å; D207-R211 PolarHBondContact OD2-NH2 2.91Å; M208-R211 WeakPolarHBondContact O-CB 3.47Å; M208-R211 PolarHBondContact O-N 2.96Å; Y209-R211 VanDerWaalsContact C-N 3.29Å; Y209-R211 PolarHBondContact O-N 3.13Å; R211-R214 PolarHBondContact O-N 3.45Å; R211-E215 PolarHBondContact O-N 3.15Å
212K88.6Confident87Confident55 Ų5568.7 Ų68.724%0.23931%0.309CS..Hα-helixtrans-60.4-44.5175.6-69.4-173.1165.3-148.70111.5D178 A181 L184 M208 Y209 R214 E215 R216D178-K212 IonicContact OD1-NZ 3.95Å; D178-K212 PolarHBondContact OD1-NZ 3.37Å; D178-K212 WeakPolarHBondContact OD2-CD 3.37Å; D178-K212 WeakPolarHBondContact OD2-CE 3.32Å; D178-K212 WeakPolarHBondContact OD2-CG 3.44Å; D178-K212 IonicContact OD2-NZ 2.68Å; D178-K212 PolarHBondContact OD2-NZ 3.15Å; A181-K212 HydrophobicContact CB-CB 3.83Å; A181-K212 HydrophobicContact CB-CD 3.47Å; A181-K212 VanDerWaalsContact CB-CD 3.47Å; A181-K212 HydrophobicContact CB-CG 4.31Å; L184-K212 HydrophobicContact CD1-CD 3.84Å; M208-K212 PolarHBondContact O-N 3Å; M208-K212 VanDerWaalsContact O-N 3.12Å; Y209-K212 WeakPolarHBondContact O-CB 3.49Å; Y209-K212 PolarHBondContact O-N 2.84Å; K212-R214 PolarHBondContact O-N 3.32Å; K212-E215 WeakPolarHBondContact O-CB 3.47Å; K212-E215 PolarHBondContact O-N 3.2Å; K212-R216 WeakPolarHBondContact O-CB 3.26Å; K212-R216 PolarHBondContact O-N 2.93Å
213L86.4Confident86.6Confident45 Ų4567.9 Ų67.924%0.23631%0.31CS..Hα-helixtrans-61.9-40.5175.2-67.4-173.1000113.1Y209 V210 R216 Q217Y209-L213 HydrophobicContact CD1-CD1 4.26Å; Y209-L213 HydrophobicContact CD2-CG 4.45Å; Y209-L213 HydrophobicContact CE1-CD1 3.6Å; Y209-L213 HydrophobicContact CE1-CG 4.19Å; Y209-L213 HydrophobicContact CE2-CD1 4.25Å; Y209-L213 HydrophobicContact CE2-CD2 3.97Å; Y209-L213 HydrophobicContact CE2-CG 4.01Å; Y209-L213 PolarHBondContact O-N 2.98Å; V210-L213 PolarHBondContact O-N 3.45Å; L213-R216 WeakPolarHBondContact O-CB 3.36Å; L213-R216 PolarHBondContact O-N 3.32Å; L213-Q217 PolarHBondContact O-N 3.19Å
214R83.3Confident86.1Confident179 Ų17962.6 Ų62.668%0.67529%0.29SS*.Hα-helixtrans-63.7-39.8175.3-72.3173.4-176.2-173.73.9112.3V210 R211 K212 R218V210-R214 VanDerWaalsContact O-CG 3.31Å; V210-R214 WeakPolarHBondContact O-CG 3.31Å; V210-R214 PolarHBondContact O-N 3.01Å; R211-R214 PolarHBondContact O-N 3.45Å; K212-R214 PolarHBondContact O-N 3.32Å; R214-R218 WeakPolarHBondContact O-CB 3.33Å; R214-R218 PolarHBondContact O-N 2.9Å
215E85.2Confident85.7Confident56 Ų5663.7 Ų63.726%0.26229%0.29SS..Hα-helixtrans-63.1-46.7174.4173.562.1-143.400111.2Y177 R211 K212 R218 R219Y177-E215 HydrophobicContact CD1-CG 3.98Å; Y177-E215 HydrophobicContact CE1-CG 3.47Å; Y177-E215 VanDerWaalsContact CE1-CG 3.47Å; R211-E215 PolarHBondContact O-N 3.15Å; K212-E215 WeakPolarHBondContact O-CB 3.47Å; K212-E215 PolarHBondContact O-N 3.2Å; E215-R218 VanDerWaalsContact CD-NH2 3.32Å; E215-R218 PolarHBondContact O-N 3.47Å; E215-R218 PolarHBondContact O-NH1 3.37Å; E215-R218 VanDerWaalsContact O-NH1 3.12Å; E215-R218 IonicContact OE1-CZ 3.63Å; E215-R218 IonicContact OE1-NH1 3.62Å; E215-R218 PolarHBondContact OE1-NH1 3.16Å; E215-R218 IonicContact OE1-NH2 2.88Å; E215-R218 PolarHBondContact OE1-NH2 3.46Å; E215-R218 IonicContact OE2-CZ 3.89Å; E215-R218 IonicContact OE2-NH1 2.66Å; E215-R218 PolarHBondContact OE2-NH1 3.1Å; E215-R218 IonicContact OE2-NH2 2.74Å; E215-R218 PolarHBondContact OE2-NH2 3.28Å; E215-R219 WeakPolarHBondContact O-CG 3.45Å; E215-R219 PolarHBondContact O-N 3.29Å; E215-R219 VanDerWaalsContact O-N 3.1Å; E215-R219 IonicContact OE1-CZ 2.84Å; E215-R219 IonicContact OE1-NE 2.7Å; E215-R219 PolarHBondContact OE1-NE 3.31Å; E215-R219 IonicContact OE1-NH2 3.53Å; E215-R219 PolarHBondContact OE1-NH2 3Å
216R87.7Confident85.5Confident25 Ų2563.2 Ų63.29%0.09429%0.286CS..Hα-helixtrans-56-52.1174.1-168.1-173.5-75.5175.2-2.2111E176 Y177 D178 E182 K212 L213 R218 R219 K220E176-R216 HydrophobicContact CB-CG 4.47Å; E176-R216 VanDerWaalsContact OE2-CD 3.25Å; E176-R216 WeakPolarHBondContact OE2-CD 3.24Å; E176-R216 WeakPolarHBondContact OE2-CG 3.44Å; Y177-R216 PolarHBondContact O-NE 3.31Å; D178-R216 PolarHBondContact O-NH2 3.48Å; E182-R216 IonicContact OE1-CZ 3.72Å; E182-R216 IonicContact OE1-NH1 3.58Å; E182-R216 PolarHBondContact OE1-NH1 2.8Å; E182-R216 IonicContact OE1-NH2 2.65Å; E182-R216 PolarHBondContact OE1-NH2 3.12Å; E182-R216 VanDerWaalsContact OE1-NH2 3.13Å; E182-R216 IonicContact OE2-CZ 3.29Å; E182-R216 IonicContact OE2-NH1 2.69Å; E182-R216 IonicContact OE2-NH2 3.24Å; E182-R216 PolarHBondContact OE2-NH2 2.93Å; K212-R216 WeakPolarHBondContact O-CB 3.26Å; K212-R216 PolarHBondContact O-N 2.93Å; L213-R216 WeakPolarHBondContact O-CB 3.36Å; L213-R216 PolarHBondContact O-N 3.32Å; R216-R218 PolarHBondContact O-N 3.03Å; R216-R219 WeakPolarHBondContact O-CB 3.43Å; R216-R219 PolarHBondContact O-N 2.92Å; R216-R219 VanDerWaalsContact O-N 3.16Å; R216-K220 PolarHBondContact O-N 2.91Å
217Q82.8Confident85Confident41 Ų4164.3 Ų64.319%0.19229%0.29CS..Hα-helixtrans-62.7-42.4177.9-172.259.634.700113.1L213 R219 K220 N221L213-Q217 PolarHBondContact O-N 3.19Å; Q217-R219 PolarHBondContact O-N 3.4Å; Q217-K220 WeakPolarHBondContact O-CB 3.43Å; Q217-K220 PolarHBondContact O-N 3.31Å; Q217-K220 VanDerWaalsContact O-N 3.16Å; Q217-N221 PolarHBondContact NE2-OD1 2.92Å; Q217-N221 PolarHBondContact O-N 2.81Å; Q217-N221 PolarHBondContact O-OD1 3.42Å
218R83.9Confident84.8Confident85 Ų8565.1 Ų65.132%0.32129%0.294SS..Hα-helixtrans-60.3-34.7176.5172.7-171.5109.6-66.420.6111.5R214 E215 R216 N221 I222R214-R218 WeakPolarHBondContact O-CB 3.33Å; R214-R218 PolarHBondContact O-N 2.9Å; E215-R218 VanDerWaalsContact CD-NH2 3.32Å; E215-R218 PolarHBondContact O-N 3.47Å; E215-R218 PolarHBondContact O-NH1 3.37Å; E215-R218 VanDerWaalsContact O-NH1 3.12Å; E215-R218 IonicContact OE1-CZ 3.63Å; E215-R218 IonicContact OE1-NH1 3.62Å; E215-R218 PolarHBondContact OE1-NH1 3.16Å; E215-R218 IonicContact OE1-NH2 2.88Å; E215-R218 PolarHBondContact OE1-NH2 3.46Å; E215-R218 IonicContact OE2-CZ 3.89Å; E215-R218 IonicContact OE2-NH1 2.66Å; E215-R218 PolarHBondContact OE2-NH1 3.1Å; E215-R218 IonicContact OE2-NH2 2.74Å; E215-R218 PolarHBondContact OE2-NH2 3.28Å; R216-R218 PolarHBondContact O-N 3.03Å; R218-N221 PolarHBondContact O-N 2.94Å; R218-I222 HydrophobicContact CG-CD1 3.91Å; R218-I222 HydrophobicContact CG-CG1 4.44Å; R218-I222 VanDerWaalsContact O-CG1 3.31Å; R218-I222 WeakPolarHBondContact O-CG1 3.47Å; R218-I222 PolarHBondContact O-N 3.45Å
219R85Confident84.6Confident109 Ų10963.3 Ų63.341%0.41129%0.285SS..Hα-helixtrans-66.2-43.6174.5-71.4171.8177.1-121.70.2112.2Y177 E215 R216 Q217 N221 I222 A223Y177-R219 VanDerWaalsContact CG-CD 3.46Å; Y177-R219 PolarHBondContact OH-NH2 3.45Å; E215-R219 WeakPolarHBondContact O-CG 3.45Å; E215-R219 PolarHBondContact O-N 3.29Å; E215-R219 VanDerWaalsContact O-N 3.1Å; E215-R219 IonicContact OE1-CZ 2.84Å; E215-R219 IonicContact OE1-NE 2.7Å; E215-R219 PolarHBondContact OE1-NE 3.31Å; E215-R219 IonicContact OE1-NH2 3.53Å; E215-R219 PolarHBondContact OE1-NH2 3Å; R216-R219 WeakPolarHBondContact O-CB 3.43Å; R216-R219 PolarHBondContact O-N 2.92Å; R216-R219 VanDerWaalsContact O-N 3.16Å; Q217-R219 PolarHBondContact O-N 3.4Å; R219-N221 VanDerWaalsContact C-N 3.31Å; R219-N221 PolarHBondContact O-N 3.35Å; R219-I222 PolarHBondContact O-N 3.03Å; R219-A223 PolarHBondContact O-N 3.16Å
220K82.8Confident84.1Confident19 Ų1962.1 Ų62.18%0.08328%0.284CS..Hα-helixtrans-55.5-47172-63.3-172.8174.6-177.80110.9D171 D172 Y173 E176 R216 Q217 A223 R224D171-K220 WeakPolarHBondContact O-CE 3.45Å; D171-K220 PolarHBondContact O-NZ 3.37Å; D172-K220 IonicContact OD1-NZ 2.7Å; D172-K220 PolarHBondContact OD1-NZ 2.8Å; Y173-K220 HydrophobicContact CE2-CG 4.22Å; E176-K220 WeakPolarHBondContact OE1-CE 3.36Å; E176-K220 IonicContact OE1-NZ 3.08Å; E176-K220 PolarHBondContact OE1-NZ 3.17Å; E176-K220 WeakPolarHBondContact OE2-CE 3.35Å; E176-K220 IonicContact OE2-NZ 3.22Å; R216-K220 PolarHBondContact O-N 2.91Å; Q217-K220 WeakPolarHBondContact O-CB 3.43Å; Q217-K220 PolarHBondContact O-N 3.31Å; Q217-K220 VanDerWaalsContact O-N 3.16Å; K220-A223 PolarHBondContact O-N 2.95Å; K220-R224 PolarHBondContact O-N 3.21Å; K220-R224 VanDerWaalsContact O-N 3.14Å
221N80.8Confident83.8Confident64 Ų6461.2 Ų61.234%0.34228%0.284SS..Hα-helixtrans-61.3-48.2177.4-65.1-1.2000112.2Q217 R218 R219 A223 R224 D225Q217-N221 PolarHBondContact NE2-OD1 2.92Å; Q217-N221 PolarHBondContact O-N 2.81Å; Q217-N221 PolarHBondContact O-OD1 3.42Å; R218-N221 PolarHBondContact O-N 2.94Å; R219-N221 VanDerWaalsContact C-N 3.31Å; R219-N221 PolarHBondContact O-N 3.35Å; N221-A223 VanDerWaalsContact C-N 3.33Å; N221-A223 PolarHBondContact O-N 3.35Å; N221-R224 PolarHBondContact O-N 3.29Å; N221-D225 VanDerWaalsContact O-CB 3.32Å; N221-D225 WeakPolarHBondContact O-CB 3.44Å; N221-D225 VanDerWaalsContact O-CG 3.3Å; N221-D225 PolarHBondContact O-N 3.44Å
222I83.7Confident83.7Confident39 Ų3961.3 Ų61.320%0.229%0.289CS..Hα-helixtrans-59.5-42.3177.9-70.5165.6000111.6R218 R219 R224 Y226R218-I222 HydrophobicContact CG-CD1 3.91Å; R218-I222 HydrophobicContact CG-CG1 4.44Å; R218-I222 VanDerWaalsContact O-CG1 3.31Å; R218-I222 WeakPolarHBondContact O-CG1 3.47Å; R218-I222 PolarHBondContact O-N 3.45Å; R219-I222 PolarHBondContact O-N 3.03Å; I222-R224 VanDerWaalsContact C-N 3.3Å; I222-R224 PolarHBondContact O-N 3.26Å; I222-Y226 HydrophobicContact CG2-CD2 4.13Å; I222-Y226 PolarHBondContact O-N 2.82Å
223A82.8Confident83.5Confident20 Ų2060.1 Ų60.117%0.16528%0.284CS..Hα-helixtrans-62.4-3817900000112.6R219 K220 N221 L228R219-A223 PolarHBondContact O-N 3.16Å; K220-A223 PolarHBondContact O-N 2.95Å; N221-A223 VanDerWaalsContact C-N 3.33Å; N221-A223 PolarHBondContact O-N 3.35Å; A223-L228 PolarHBondContact O-N 3.49Å
224R79.1Confident83Confident63 Ų6359.2 Ų59.224%0.23829%0.286CS..Hα-helixtrans-74.7-53.6176.9-178.5179.4-71.7125.1-6.5112.4D171 K220 N221 I222 Y226 N227D171-R224 IonicContact OD1-CZ 2.77Å; D171-R224 IonicContact OD1-NH1 2.72Å; D171-R224 IonicContact OD1-NH2 3.09Å; D171-R224 PolarHBondContact OD1-NH2 3.07Å; D171-R224 IonicContact OD2-CZ 2.79Å; D171-R224 IonicContact OD2-NH1 2.86Å; D171-R224 PolarHBondContact OD2-NH1 3.31Å; D171-R224 IonicContact OD2-NH2 2.82Å; D171-R224 PolarHBondContact OD2-NH2 3Å; K220-R224 PolarHBondContact O-N 3.21Å; K220-R224 VanDerWaalsContact O-N 3.14Å; N221-R224 PolarHBondContact O-N 3.29Å; I222-R224 VanDerWaalsContact C-N 3.3Å; I222-R224 PolarHBondContact O-N 3.26Å; R224-Y226 VanDerWaalsContact C-N 3.34Å; R224-Y226 PolarHBondContact O-N 3.22Å; R224-N227 WeakPolarHBondContact O-CA 3.46Å; R224-N227 PolarHBondContact O-N 3.18Å
225D83.4Confident82.5Confident66 Ų6654.2 Ų54.235%0.35327%0.267SS..Hα-helixtrans-58-44.1-175.3-77.6-0.3000112.2N221 N227 A307 H308N221-D225 VanDerWaalsContact O-CB 3.32Å; N221-D225 WeakPolarHBondContact O-CB 3.44Å; N221-D225 VanDerWaalsContact O-CG 3.3Å; N221-D225 PolarHBondContact O-N 3.44Å; D225-N227 PolarHBondContact O-N 3.39Å; D225-A307 WeakPolarHBondContact OD2-CB 3.42Å; D225-H308 VanDerWaalsContact C-CB 3.48Å; D225-H308 HydrophobicContact CB-CB 3.86Å; D225-H308 WeakPolarHBondContact O-CB 3.08Å; D225-H308 PolarHBondContact O-CD2 2.95Å; D225-H308 VanDerWaalsContact O-CD2 3.29Å; D225-H308 VanDerWaalsContact O-CG 3.3Å
226Y84.7Confident81.4Confident39 Ų3955.4 Ų55.415%0.15328%0.276CS..THydrogen-bonded Turntrans-85.87.4177.5-73.2-84.9000113.4I222 R224 L228 C303 M306 H308 F311I222-Y226 HydrophobicContact CG2-CD2 4.13Å; I222-Y226 PolarHBondContact O-N 2.82Å; R224-Y226 VanDerWaalsContact C-N 3.34Å; R224-Y226 PolarHBondContact O-N 3.22Å; Y226-L228 VanDerWaalsContact C-N 3.26Å; Y226-L228 PolarHBondContact O-N 3.14Å; Y226-C303 HydrophobicContact CE1-CB 3.76Å; Y226-C303 VanDerWaalsContact CE1-SG 3.53Å; Y226-C303 HydrophobicContact CE2-CB 3.93Å; Y226-C303 WeakPolarHBondContact CE2-O 3.48Å; Y226-C303 VanDerWaalsContact CZ-CB 3.42Å; Y226-C303 VanDerWaalsContact OH-CA 3.31Å; Y226-C303 WeakPolarHBondContact OH-CA 3.35Å; Y226-C303 WeakPolarHBondContact OH-CB 3.37Å; Y226-C303 PolarHBondContact OH-SG 2.75Å; Y226-M306 PolarHBondContact OH-O 3.26Å; Y226-H308 HydrophobicContact CD1-CB 4.03Å; Y226-H308 AromaticContact CD1-CG 3.99Å; Y226-H308 AromaticContact CD1-ND1 3.5Å; Y226-H308 HydrophobicContact CD2-CB 4.17Å; Y226-H308 HydrophobicContact CE1-CB 3.97Å; Y226-H308 AromaticContact CE1-ND1 3.43Å; Y226-H308 WeakPolarHBondContact CE1-ND1 3.31Å; Y226-H308 HydrophobicContact CE2-CB 4.1Å; Y226-H308 HydrophobicContact CG-CB 4.13Å; Y226-F311 HydrophobicContact CE1-CD1 4.42Å; Y226-F311 WeakPolarHBondContact OH-CB 3.48Å
227N81.9Confident80Confident91 Ų9161.8 Ų61.849%0.48730%0.304SS..THydrogen-bonded Turntrans49.145.4179.8-166.745.5000112.8R224 D225 V229 P230R224-N227 WeakPolarHBondContact O-CA 3.46Å; R224-N227 PolarHBondContact O-N 3.18Å; D225-N227 PolarHBondContact O-N 3.39Å; N227-V229 VanDerWaalsContact C-N 3.33Å; N227-V229 PolarHBondContact O-N 3.35Å; N227-P230 WeakPolarHBondContact OD1-CD 3.48Å; N227-P230 WeakPolarHBondContact OD1-CG 3.42Å
228L85.4Confident78.7Confident90 Ų9066.5 Ų66.547%0.47132%0.324SS..Hα-helixtrans-73.3-25.7-171.8-59.5-173.7000112.7A223 Y226 G231 F232A223-L228 PolarHBondContact O-N 3.49Å; Y226-L228 VanDerWaalsContact C-N 3.26Å; Y226-L228 PolarHBondContact O-N 3.14Å; L228-G231 PolarHBondContact O-N 2.93Å; L228-F232 WeakPolarHBondContact O-CB 3.31Å; L228-F232 PolarHBondContact O-N 3.28Å
229V83.8Confident77.3Confident14 Ų1466.7 Ų66.79%0.08533%0.332CS..Hα-helixtrans-63.7-53-175.9174.20000112.2I156 L164 N227 G231 F232 L233I156-V229 HydrophobicContact CG2-CG1 4.42Å; L164-V229 HydrophobicContact CD1-CG1 3.69Å; N227-V229 VanDerWaalsContact C-N 3.33Å; N227-V229 PolarHBondContact O-N 3.35Å; V229-G231 PolarHBondContact O-N 3.27Å; V229-F232 PolarHBondContact O-N 3.07Å; V229-L233 HydrophobicContact CG1-CD1 3.81Å; V229-L233 HydrophobicContact CG1-CG 4.37Å; V229-L233 WeakPolarHBondContact O-CG 3.45Å; V229-L233 PolarHBondContact O-N 3.43Å
230P81.9Confident75.7Confident22 Ų2268.2 Ų68.214%0.14334%0.341CS..Hα-helixtrans-58.6-33.4173.9-28.438000114.3N227 G234 R235N227-P230 WeakPolarHBondContact OD1-CD 3.48Å; N227-P230 WeakPolarHBondContact OD1-CG 3.42Å; P230-G234 PolarHBondContact O-N 3.27Å; P230-R235 HydrophobicContact CB-CB 4.25Å; P230-R235 WeakPolarHBondContact O-CB 3.32Å; P230-R235 PolarHBondContact O-N 2.87Å
231G80.4Confident74.2Confident31 Ų3174.2 Ų74.232%0.3237%0.369SS..Hα-helixtrans-68.1-41.6175.900000112.8L228 V229 G234 D236L228-G231 PolarHBondContact O-N 2.93Å; V229-G231 PolarHBondContact O-N 3.27Å; G231-G234 PolarHBondContact O-N 3.14Å; G231-D236 WeakPolarHBondContact CA-OD2 3.36Å
232F84.9Confident72.8Confident135 Ų13578.8 Ų78.859%0.59239%0.386SS*.Hα-helixtrans-64.2-44.8173.8178.1-94.7000111.9L164 L228 V229 G234L164-F232 HydrophobicContact CD2-CD1 3.65Å; L164-F232 HydrophobicContact CD2-CE1 3.74Å; L228-F232 WeakPolarHBondContact O-CB 3.31Å; L228-F232 PolarHBondContact O-N 3.28Å; V229-F232 PolarHBondContact O-N 3.07Å; F232-G234 PolarHBondContact O-N 3.04Å; F232-G234 VanDerWaalsContact O-N 3.13Å
233L84.1Confident71Confident29 Ų2984.7 Ų84.715%0.15241%0.413CS..THydrogen-bonded Turntrans-70.7-0.1175-61.2174.5000113.3I156 E160 L164 V229 R235I156-L233 HydrophobicContact CG2-CD1 4.08Å; E160-L233 HydrophobicContact CB-CD1 3.93Å; E160-L233 HydrophobicContact CB-CD2 3.96Å; E160-L233 HydrophobicContact CG-CD1 3.99Å; E160-L233 HydrophobicContact CG-CD2 3.95Å; E160-L233 HydrophobicContact CG-CG 4.46Å; L164-L233 HydrophobicContact CD1-CD1 4.21Å; L164-L233 HydrophobicContact CD1-CD2 4.29Å; L164-L233 HydrophobicContact CG-CD2 4.25Å; V229-L233 HydrophobicContact CG1-CD1 3.81Å; V229-L233 HydrophobicContact CG1-CG 4.37Å; V229-L233 WeakPolarHBondContact O-CG 3.45Å; V229-L233 PolarHBondContact O-N 3.43Å; L233-R235 VanDerWaalsContact C-N 3.27Å; L233-R235 HydrophobicContact CB-CG 4.34Å; L233-R235 PolarHBondContact O-N 3.34Å
234G76.1Confident68.6Low27 Ų2791.7 Ų91.728%0.27844%0.44SS..THydrogen-bonded Turntrans74.87.4174.400000115.7P230 G231 F232 D236 K237P230-G234 PolarHBondContact O-N 3.27Å; G231-G234 PolarHBondContact O-N 3.14Å; F232-G234 PolarHBondContact O-N 3.04Å; F232-G234 VanDerWaalsContact O-N 3.13Å; G234-D236 PolarHBondContact O-N 3.18Å; G234-K237 PolarHBondContact O-N 3.16Å
235R72.1Confident66.8Low73 Ų7395 Ų9528%0.27547%0.47SS..Hα-helixtrans-57-39.8-179.6-61.7-176.7177.6-173.70111.1D155 E160 P230 L233 K237 K238 D239D155-R235 PolarHBondContact O-NH1 3.01Å; D155-R235 PolarHBondContact O-NH2 3.21Å; E160-R235 IonicContact OE1-CZ 3.8Å; E160-R235 VanDerWaalsContact OE1-CZ 3.3Å; E160-R235 IonicContact OE1-NE 3.42Å; E160-R235 PolarHBondContact OE1-NE 3.19Å; E160-R235 IonicContact OE1-NH2 2.73Å; E160-R235 PolarHBondContact OE1-NH2 2.72Å; E160-R235 IonicContact OE2-CZ 3.32Å; E160-R235 IonicContact OE2-NH2 3.12Å; E160-R235 PolarHBondContact OE2-NH2 3.48Å; P230-R235 HydrophobicContact CB-CB 4.25Å; P230-R235 WeakPolarHBondContact O-CB 3.32Å; P230-R235 PolarHBondContact O-N 2.87Å; L233-R235 VanDerWaalsContact C-N 3.27Å; L233-R235 HydrophobicContact CB-CG 4.34Å; L233-R235 PolarHBondContact O-N 3.34Å; R235-K237 PolarHBondContact O-N 2.98Å; R235-K238 WeakPolarHBondContact O-CB 3.35Å; R235-K238 PolarHBondContact O-N 3.45Å; R235-D239 PolarHBondContact O-N 3.01Å; R235-D239 VanDerWaalsContact O-N 3.12Å
236D63Low64.4Low82 Ų8295.5 Ų95.544%0.43949%0.49SS..Hα-helixtrans-53.3-24174.2-83.1-15.9000116.2G231 G234 K240G231-D236 WeakPolarHBondContact CA-OD2 3.36Å; G234-D236 PolarHBondContact O-N 3.18Å; D236-K240 WeakPolarHBondContact O-CD 3.42Å; D236-K240 WeakPolarHBondContact O-CG 3.38Å
237K58.5Low61.9Low158 Ų15897.2 Ų97.269%0.68752%0.52SS*.Hα-helixtrans-87.1-43.7175.7-67.5177.5-179.3171.80110.7G234 R235 D239 K240 E241G234-K237 PolarHBondContact O-N 3.16Å; R235-K237 PolarHBondContact O-N 2.98Å; K237-D239 VanDerWaalsContact C-N 3.3Å; K237-D239 PolarHBondContact O-N 3.45Å; K237-K240 PolarHBondContact O-N 2.84Å; K237-E241 PolarHBondContact O-N 3.42Å
238K54.1Low59.5Low141 Ų141100.8 Ų100.861%0.61354%0.538SS*.Hα-helixtrans-61.7-37.3-177.1-147.2172.2-170.9175.20111.9R235 K242R235-K238 WeakPolarHBondContact O-CB 3.35Å; R235-K238 PolarHBondContact O-N 3.45Å; K238-K242 PolarHBondContact O-N 2.8Å
239D55.4Low56.7Low89 Ų89105.7 Ų105.748%0.47656%0.558SS.*Hα-helixtrans-77-35.8178-62.7-32.2000112.4R235 K237 E241 K242 E243R235-D239 PolarHBondContact O-N 3.01Å; R235-D239 VanDerWaalsContact O-N 3.12Å; K237-D239 VanDerWaalsContact C-N 3.3Å; K237-D239 PolarHBondContact O-N 3.45Å; D239-E241 VanDerWaalsContact C-N 3.27Å; D239-E241 PolarHBondContact O-N 3.48Å; D239-K242 PolarHBondContact O-N 3.05Å; D239-E243 PolarHBondContact O-N 3.26Å
240K50.2Low54.1Low141 Ų141109.9 Ų109.961%0.61358%0.583SS**Hα-helixtrans-67.1-25.1172.6-76.9176.5-174.5145.30113.9D236 K237D236-K240 WeakPolarHBondContact O-CD 3.42Å; D236-K240 WeakPolarHBondContact O-CG 3.38Å; K237-K240 PolarHBondContact O-N 2.84Å
241E51.6Low51.5Low144 Ų144117.1 Ų117.167%0.67362%0.62SS**Hα-helixtrans-77.3-35.1172.9-74.1176.7161.900111.7K237 D239K237-E241 PolarHBondContact O-N 3.42Å; D239-E241 VanDerWaalsContact C-N 3.27Å; D239-E241 PolarHBondContact O-N 3.48Å
242K51.4Low48.9Very low161 Ų161119.1 Ų119.170%0.764%0.641SS**Hα-helixtrans-69.9-30.1172.9-73.5176.3175.9177.90114K238 D239 K244K238-K242 PolarHBondContact O-N 2.8Å; D239-K242 PolarHBondContact O-N 3.05Å; K242-K244 PolarHBondContact O-N 3Å
243E46.1Very low46Very low162 Ų162116.7 Ų116.776%0.75765%0.653SS**THydrogen-bonded Turntrans-75-0.2179.2-79.2-166.7142.300115D239 P245D239-E243 PolarHBondContact O-N 3.26Å; E243-P245 WeakPolarHBondContact O-CD 3.34Å
244K32.2Very low43.2Very low167 Ų167121.2 Ų121.273%0.72669%0.688SS**SBendtrans-78.1117.7172.2-79.5-177.6177.6173.70110.6K242 G246K242-K244 PolarHBondContact O-N 3Å; K244-G246 PolarHBondContact O-N 3.28Å
245P41.4Very low40.8Very low134 Ų134126.4 Ų126.487%0.8771%0.714SS**  trans-75.8101.4-178.630.5-33.8000110.8E243E243-P245 WeakPolarHBondContact O-CD 3.34Å
246G34.1Very low39.1Very low75 Ų75128.1 Ų128.177%0.77373%0.734SS**  trans-95.3116.617000000111.7K244K244-G246 PolarHBondContact O-N 3.28Å
247G30.9Very low37.3Very low76 Ų76130.7 Ų130.778%0.78475%0.753SS**  trans5210214700000119.4Q249G247-Q249 PolarHBondContact O-N 2.99Å
248L31.8Very low35.7Very low165 Ų165127 Ų12786%0.86476%0.761SS**  trans-38.8127.3156.8-174.478.4000113.6V250L248-V250 HydrophobicContact CD1-CG2 4.16Å; L248-V250 HydrophobicContact CG-CG2 4.28Å
249Q27Very low34.3Very low194 Ų194123.7 Ų123.791%0.90777%0.766SS**  trans-144.3144.5153.3-137.6170.129.900110.9G247G247-Q249 PolarHBondContact O-N 2.99Å
250V28.7Very low32.9Very low101 Ų101125.9 Ų125.961%0.61279%0.788SS**  trans-131.7150.7-167-1750000108.5L248L248-V250 HydrophobicContact CD1-CG2 4.16Å; L248-V250 HydrophobicContact CG-CG2 4.28Å
251L27.6Very low31.8Very low175 Ų175122.7 Ų122.792%0.91680%0.795SS**  trans74.6146.6-180-43.6178.1000114.3
252G24.8Very low30.6Very low73 Ų73120 Ų12075%0.75380%0.798SS**  cis-160166.6-100000110.6
253G25.8Very low29.3Very low83 Ų83118.1 Ų118.186%0.85680%0.803SS**  trans-86.9159.6-168.500000115.7
254S24.2Very low28.4Very low124 Ų124115.8 Ų115.887%0.86781%0.805SS**  trans-156.4145.2154.447.20000111
255V27Very low28Very low136 Ų136111.8 Ų111.882%0.82480%0.803SS**  trans-113.5137.8176164.50000104.3
256P35.9Very low27.3Very low110 Ų110110 Ų11071%0.71480%0.8SS**  -156.6152.389.942.2-21.4000120.2
257T25.1Very low27Very low135 Ų135113.7 Ų113.783%0.82881%0.807SS**  trans54.2125.213759.40000123.8
258G24.9Very low26.7Very low82 Ų82113.1 Ų113.185%0.84580%0.801SS**  122.9132.8112.200000119.2
259G24.8Very low26.8Very low71 Ų71111.8 Ų111.873%0.73280%0.802SS**  trans104.389.8164.300000115.4
260S25.9Very low26.6Very low135 Ų135107 Ų10794%0.94480%0.796SS**  86.2123.466.7-640000115
261G26Very low26.6Very low73 Ų73108.3 Ų108.375%0.75381%0.809SS**  trans123.177.1171.300000114.2
262A26.6Very low26.4Very low89 Ų89106 Ų10674%0.73680%0.803SS**  71101.581.500000113.1
263C25.2Very low26.4Very low120 Ų120109 Ų10981%0.81181%0.806SS**  82.2152102.382.50000113
264S26Very low26.2Very low114 Ų114111.7 Ų111.780%0.79781%0.807SS**  cis-168168.1-4.4-107.40000107.3
265A25.3Very low26.2Very low83 Ų83112.5 Ų112.569%0.68681%0.807SS**  cis-166134.2-9.700000111.8
266A25.4Very low26.1Very low97 Ų97109 Ų10980%0.80280%0.798SS**  36.7114.9127.400000121.4
267V27.4Very low25.7Very low152 Ų152109.3 Ų109.392%0.92180%0.803SS**  trans-148.2144.6138.6-171.30000107.9
268G25.6Very low25.7Very low63 Ų63108.6 Ų108.665%0.64980%0.798SS**  trans-141.5-155.4167.700000109.6
269P32.8Very low25.8Very low137 Ų137110.1 Ų110.189%0.8979%0.793SS**  cis-120.2154.7-26.937.5-25000111.8
270A24.5Very low26Very low95 Ų95114.2 Ų114.279%0.78580%0.797SS**  trans-118.8115.7166.200000109.5T272A270-T272 PolarHBondContact O-N 3.37Å
271S27Very low26Very low127 Ų127113 Ų11389%0.88879%0.785SS**  trans-75.8110.2-177.3520000111.5
272T24.7Very low26.1Very low127 Ų127114.7 Ų114.778%0.77979%0.786SS**  trans-124.6128.2167.7-41.80000109.4A270 T274A270-T272 PolarHBondContact O-N 3.37Å; T272-T274 PolarHBondContact O-N 3.03Å
273T23.3Very low26.3Very low135 Ų135116 Ų11683%0.82879%0.785SS**  trans-62.4125.3-171.815.70000112.8T275T273-T275 PolarHBondContact O-N 3.28Å
274T22.2Very low26.6Very low140 Ų140116.3 Ų116.386%0.85979%0.785SS**  trans-74.9100.6174.937.10000111.9T272 G276T272-T274 PolarHBondContact O-N 3.03Å; T274-G276 VanDerWaalsContact C-N 3.27Å; T274-G276 PolarHBondContact O-N 3.13Å
275T24.8Very low27.4Very low141 Ų141120.5 Ų120.587%0.86579%0.789SS**  trans-84.974.9158.142.80000109.4T273 S277T273-T275 PolarHBondContact O-N 3.28Å; T275-S277 PolarHBondContact O-N 3.36Å
276G24Very low29.4Very low62 Ų62122.6 Ų122.664%0.63978%0.779SS**  trans-59.9119.6176.500000111.2T274 V278T274-G276 VanDerWaalsContact C-N 3.27Å; T274-G276 PolarHBondContact O-N 3.13Å; G276-V278 PolarHBondContact O-N 2.86Å
277S27.9Very low31.4Very low117 Ų117127.4 Ų127.482%0.81878%0.782SS**  trans-65.6100167.745.30000108.8T275 P279T275-S277 PolarHBondContact O-N 3.36Å; S277-P279 WeakPolarHBondContact O-CD 3.37Å
278V25.4Very low33.4Very low121 Ų121123.7 Ų123.773%0.73376%0.756SS**PPolyproline II helixtrans-54.3125.7175.2176.20000108.6G276 I280G276-V278 PolarHBondContact O-N 2.86Å; V278-I280 PolarHBondContact O-N 3.35Å
279P27Very low36Very low113 Ų113124 Ų12473%0.73475%0.746SS**PPolyproline II helixtrans-59.3117173-21.532.5000108.8S277 P281S277-P279 WeakPolarHBondContact O-CD 3.37Å; P279-P281 WeakPolarHBondContact O-CD 3.33Å; P279-P281 VanDerWaalsContact O-N 3.13Å
280I29.3Very low38.5Very low158 Ų158126.1 Ų126.181%0.8174%0.741SS**PPolyproline II helixtrans-56.8121.6175.8-62.2174.5000107V278 S282V278-I280 PolarHBondContact O-N 3.35Å; I280-S282 PolarHBondContact O-N 3.09Å
281P25.5Very low41.2Very low108 Ų108128.2 Ų128.270%0.70174%0.735SS**PPolyproline II helixtrans-58.2116.1-178.8-24.834.1000109.3P279 T283P279-P281 WeakPolarHBondContact O-CD 3.33Å; P279-P281 VanDerWaalsContact O-N 3.13Å; P281-T283 PolarHBondContact O-N 3.14Å
282S29.2Very low43.8Very low110 Ų110122.5 Ų122.577%0.76969%0.694SS**  trans-65.8109.6176.958.80000108.2I280I280-S282 PolarHBondContact O-N 3.09Å
283T28.8Very low46.6Very low117 Ų117122.6 Ų122.672%0.71868%0.683SS**  trans-58.3137.5174.850.40000108.2P281 K285P281-T283 PolarHBondContact O-N 3.14Å; T283-K285 PolarHBondContact O-N 3.07Å
284P31.8Very low49.7Very low126 Ų126120.8 Ų120.882%0.81867%0.666SS**  trans-57.8113.7-17521.2-32.3000109.4R286P284-R286 PolarHBondContact O-N 3.16Å
285K44.6Very low52.6Low201 Ų201115.6 Ų115.687%0.87463%0.631SS**  trans-55103.3-170.6-71.4177.2180171.30110.2T283 K287T283-K285 PolarHBondContact O-N 3.07Å; K285-K287 PolarHBondContact O-N 3.35Å
286R67.3Low55.5Low128 Ų128112.4 Ų112.448%0.48360%0.603SS.*  trans-54.3130.8174.2-170.1174.379.6-171.56.2108.2P284 I288 E292 H319P284-R286 PolarHBondContact O-N 3.16Å; R286-I288 PolarHBondContact O-N 3.36Å; R286-E292 IonicContact CZ-OE1 2.84Å; R286-E292 IonicContact NH2-OE1 2.77Å; R286-E292 PolarHBondContact NH2-OE1 3.29Å; R286-H319 PolarHBondContact NH2-CD2 2.81Å; R286-H319 VanDerWaalsContact NH2-CD2 3.3Å; R286-H319 PolarHBondContact NH2-CE1 2.77Å; R286-H319 PolarHBondContact NH2-ND1 2.72Å; R286-H319 PolarHBondContact NH2-NE2 3.07Å
287K65.8Low58.5Low197 Ų197114.5 Ų114.586%0.85760%0.604SS**  trans-62.7101.1179-78.3-176.6176.3176.70109.5K285 T289K285-K287 PolarHBondContact O-N 3.35Å; K287-T289 PolarHBondContact O-N 2.76Å
288I69.9Low61.3Low74 Ų74117.6 Ų117.638%0.37960%0.597SS.*  trans-59.3120.6-179.7-53.2-179.6000109.1R286 E292 K293R286-I288 PolarHBondContact O-N 3.36Å; I288-E292 HydrophobicContact CG2-CB 3.49Å; I288-E292 VanDerWaalsContact CG2-CB 3.49Å; I288-K293 HydrophobicContact CB-CG 4.37Å; I288-K293 HydrophobicContact CG2-CG 3.68Å; I288-K293 WeakPolarHBondContact O-CE 3.39Å
289T81.1Confident64.3Low71 Ų71113.5 Ų113.544%0.43657%0.571SS.*  trans-66.5164179.263.10000111.8K287 E291 E292 K293K287-T289 PolarHBondContact O-N 2.76Å; T289-E291 VanDerWaalsContact C-N 3.3Å; T289-E291 PolarHBondContact O-N 3.46Å; T289-E292 WeakPolarHBondContact CB-OE2 3.46Å; T289-E292 WeakPolarHBondContact CG2-OE2 3.23Å; T289-E292 PolarHBondContact N-OE2 2.98Å; T289-E292 PolarHBondContact O-N 3.35Å; T289-E292 WeakPolarHBondContact OG1-CB 3.44Å; T289-E292 WeakPolarHBondContact OG1-CG 3.33Å; T289-E292 PolarHBondContact OG1-N 2.72Å; T289-E292 PolarHBondContact OG1-OE2 2.84Å; T289-K293 WeakPolarHBondContact O-CG 3.49Å; T289-K293 PolarHBondContact O-N 3.17Å; T289-K293 VanDerWaalsContact O-N 3.11Å
290K84.1Confident67.1Low180 Ų180117 Ų11778%0.78357%0.57SS**Hα-helixtrans-59.5-41.6177.2-173.1-178.2175.8-173.70111.8K293 E294K290-K293 PolarHBondContact O-N 3.37Å; K290-E294 PolarHBondContact O-N 2.88Å; K290-E294 VanDerWaalsContact O-N 3.11Å
291E82.1Confident69.8Low140 Ų140112.5 Ų112.565%0.65456%0.556SS**Hα-helixtrans-65.6-43.2179.5-62.8-178.1-177.800112.3T289 K293 E294 Q295T289-E291 VanDerWaalsContact C-N 3.3Å; T289-E291 PolarHBondContact O-N 3.46Å; E291-K293 VanDerWaalsContact C-N 3.35Å; E291-K293 PolarHBondContact O-N 3.07Å; E291-E294 PolarHBondContact O-N 3.21Å; E291-Q295 WeakPolarHBondContact O-CB 3.36Å; E291-Q295 PolarHBondContact O-N 2.96Å
292E82Confident72.7Confident7 Ų7110.3 Ų110.33%0.03354%0.538CS..Hα-helixtrans-63.2-40.1176.1-73.2163.5142.900111.9R286 I288 T289 Q295 R296 F315 H319R286-E292 IonicContact CZ-OE1 2.84Å; R286-E292 IonicContact NH2-OE1 2.77Å; R286-E292 PolarHBondContact NH2-OE1 3.29Å; I288-E292 HydrophobicContact CG2-CB 3.49Å; I288-E292 VanDerWaalsContact CG2-CB 3.49Å; T289-E292 WeakPolarHBondContact CB-OE2 3.46Å; T289-E292 WeakPolarHBondContact CG2-OE2 3.23Å; T289-E292 PolarHBondContact N-OE2 2.98Å; T289-E292 PolarHBondContact O-N 3.35Å; T289-E292 WeakPolarHBondContact OG1-CB 3.44Å; T289-E292 WeakPolarHBondContact OG1-CG 3.33Å; T289-E292 PolarHBondContact OG1-N 2.72Å; T289-E292 PolarHBondContact OG1-OE2 2.84Å; E292-Q295 PolarHBondContact O-N 3.06Å; E292-R296 VanDerWaalsContact O-CB 3.29Å; E292-R296 WeakPolarHBondContact O-CB 3.36Å; E292-R296 PolarHBondContact O-N 3.45Å; E292-F315 HydrophobicContact CB-CE1 4.47Å; E292-F315 HydrophobicContact CB-CZ 4.06Å; E292-F315 HydrophobicContact CG-CZ 4.48Å; E292-F315 WeakPolarHBondContact O-CZ 3.48Å; E292-H319 IonicContact OE1-CE1 3.08Å; E292-H319 PolarHBondContact OE1-CE1 3.36Å; E292-H319 IonicContact OE1-CG 2.66Å; E292-H319 IonicContact OE1-ND1 3.99Å; E292-H319 PolarHBondContact OE1-ND1 2.84Å; E292-H319 IonicContact OE1-NE2 3.2Å
293K83.6Confident75.3Confident129 Ų129106 Ų10656%0.56151%0.508SS*.Hα-helixtrans-60.9-46.9175.1-70.6178.5-174.9178.90111.5I288 T289 K290 E291 Q295 R296 V297I288-K293 HydrophobicContact CB-CG 4.37Å; I288-K293 HydrophobicContact CG2-CG 3.68Å; I288-K293 WeakPolarHBondContact O-CE 3.39Å; T289-K293 WeakPolarHBondContact O-CG 3.49Å; T289-K293 PolarHBondContact O-N 3.17Å; T289-K293 VanDerWaalsContact O-N 3.11Å; K290-K293 PolarHBondContact O-N 3.37Å; E291-K293 VanDerWaalsContact C-N 3.35Å; E291-K293 PolarHBondContact O-N 3.07Å; K293-Q295 VanDerWaalsContact C-N 3.35Å; K293-Q295 PolarHBondContact O-N 3.12Å; K293-R296 PolarHBondContact O-N 2.92Å; K293-V297 WeakPolarHBondContact O-CG2 3.31Å; K293-V297 PolarHBondContact O-N 3.35Å
294E86.8Confident77.8Confident97 Ų97106 Ų10645%0.45350%0.5SS..Hα-helixtrans-63.1-42.2178.4-166.6-176.5154.600111.6K290 E291 R296 V297 R298K290-E294 PolarHBondContact O-N 2.88Å; K290-E294 VanDerWaalsContact O-N 3.11Å; E291-E294 PolarHBondContact O-N 3.21Å; E294-R296 PolarHBondContact O-N 2.88Å; E294-V297 WeakPolarHBondContact O-CB 3.44Å; E294-V297 PolarHBondContact O-N 2.97Å; E294-R298 WeakPolarHBondContact O-CG 3.35Å; E294-R298 PolarHBondContact O-N 3.48Å; E294-R298 IonicContact OE1-CZ 2.68Å; E294-R298 IonicContact OE1-NE 2.7Å; E294-R298 IonicContact OE1-NH2 3.11Å; E294-R298 PolarHBondContact OE1-NH2 3.2Å
295Q84.9Confident80.3Confident30 Ų30107.5 Ų107.514%0.1449%0.494CS..Hα-helixtrans-65.3-38.3176.8-172.3166.9-3.600112.6E291 E292 K293 V297 R298 L299 F315 M318 R322E291-Q295 WeakPolarHBondContact O-CB 3.36Å; E291-Q295 PolarHBondContact O-N 2.96Å; E292-Q295 PolarHBondContact O-N 3.06Å; K293-Q295 VanDerWaalsContact C-N 3.35Å; K293-Q295 PolarHBondContact O-N 3.12Å; Q295-V297 VanDerWaalsContact C-N 3.33Å; Q295-R298 PolarHBondContact O-N 3.25Å; Q295-L299 HydrophobicContact CG-CD1 4.25Å; Q295-L299 WeakPolarHBondContact O-CG 3.47Å; Q295-L299 PolarHBondContact O-N 3.31Å; Q295-F315 HydrophobicContact CB-CE2 4.49Å; Q295-F315 HydrophobicContact CG-CE2 4.41Å; Q295-M318 HydrophobicContact CG-CE 4.04Å; Q295-M318 PolarHBondContact NE2-SD 3.28Å; Q295-R322 VanDerWaalsContact CD-NH2 3.29Å
296R85.1Confident82.1Confident74 Ų74100.2 Ų100.228%0.27946%0.463SS..Hα-helixtrans-66.5-34.1175.3-165.3166.1173.2145.7-7.8112E292 K293 E294 L299 R300 F311 E312 F315E292-R296 VanDerWaalsContact O-CB 3.29Å; E292-R296 WeakPolarHBondContact O-CB 3.36Å; E292-R296 PolarHBondContact O-N 3.45Å; K293-R296 PolarHBondContact O-N 2.92Å; E294-R296 PolarHBondContact O-N 2.88Å; R296-L299 PolarHBondContact O-N 3.44Å; R296-R300 PolarHBondContact O-N 3.43Å; R296-F311 HydrophobicContact CG-CE1 4.34Å; R296-F311 HydrophobicContact CG-CZ 4.47Å; R296-E312 IonicContact CZ-OE1 2.71Å; R296-E312 VanDerWaalsContact CZ-OE1 3.24Å; R296-E312 IonicContact CZ-OE2 3.39Å; R296-E312 IonicContact NE-OE1 3.86Å; R296-E312 IonicContact NH1-OE1 3.95Å; R296-E312 IonicContact NH1-OE2 3.94Å; R296-E312 PolarHBondContact NH1-OE2 3.02Å; R296-E312 IonicContact NH2-OE1 3.89Å; R296-E312 PolarHBondContact NH2-OE1 3.17Å; R296-E312 IonicContact NH2-OE2 2.96Å; R296-E312 PolarHBondContact NH2-OE2 3.23Å; R296-F315 HydrophobicContact CB-CD2 4.34Å; R296-F315 HydrophobicContact CB-CE2 3.63Å; R296-F315 HydrophobicContact CB-CZ 3.95Å; R296-F315 HydrophobicContact CG-CD2 4.38Å; R296-F315 HydrophobicContact CG-CE2 4.12Å; R296-F315 HydrophobicContact CG-CZ 4.48Å
297V86.1Confident82.8Confident106 Ų10695.7 Ų95.764%0.64245%0.453SS*.Hα-helixtrans-64.7-45.5170.2170.60000111.2K293 E294 Q295 L299 R300K293-V297 WeakPolarHBondContact O-CG2 3.31Å; K293-V297 PolarHBondContact O-N 3.35Å; E294-V297 WeakPolarHBondContact O-CB 3.44Å; E294-V297 PolarHBondContact O-N 2.97Å; Q295-V297 VanDerWaalsContact C-N 3.33Å; V297-L299 VanDerWaalsContact C-N 3.26Å; V297-L299 PolarHBondContact O-N 3.01Å; V297-R300 VanDerWaalsContact O-CB 3.26Å; V297-R300 WeakPolarHBondContact O-CB 3.48Å; V297-R300 PolarHBondContact O-N 3.14Å
298R88Confident83.6Confident182 Ų18289.4 Ų89.469%0.68743%0.427SS*.Hα-helixtrans-61.2-33177.3-66.6177.3-166.1-179.33.1113.1E294 Q295E294-R298 WeakPolarHBondContact O-CG 3.35Å; E294-R298 PolarHBondContact O-N 3.48Å; E294-R298 IonicContact OE1-CZ 2.68Å; E294-R298 IonicContact OE1-NE 2.7Å; E294-R298 IonicContact OE1-NH2 3.11Å; E294-R298 PolarHBondContact OE1-NH2 3.2Å; Q295-R298 PolarHBondContact O-N 3.25Å
299L88Confident84.2Confident35 Ų3595.4 Ų95.418%0.18344%0.444CS..THydrogen-bonded Turntrans-88.3-3.1-179.7-65.8172.8000114.3Q295 R296 V297 A301 L302 F311 F314 F315 M318Q295-L299 HydrophobicContact CG-CD1 4.25Å; Q295-L299 WeakPolarHBondContact O-CG 3.47Å; Q295-L299 PolarHBondContact O-N 3.31Å; R296-L299 PolarHBondContact O-N 3.44Å; V297-L299 VanDerWaalsContact C-N 3.26Å; V297-L299 PolarHBondContact O-N 3.01Å; L299-A301 PolarHBondContact O-N 2.89Å; L299-L302 HydrophobicContact CB-CD1 4.42Å; L299-L302 HydrophobicContact CD2-CD1 3.87Å; L299-L302 WeakPolarHBondContact O-CB 3.47Å; L299-L302 PolarHBondContact O-N 3.46Å; L299-F311 HydrophobicContact CB-CE2 4.03Å; L299-F311 HydrophobicContact CB-CZ 4.17Å; L299-F311 WeakPolarHBondContact O-CE2 3.23Å; L299-F314 HydrophobicContact CD1-CE1 4.16Å; L299-F314 HydrophobicContact CD2-CE1 4.45Å; L299-F315 HydrophobicContact CD1-CD2 4.14Å; L299-M318 HydrophobicContact CD1-CE 3.36Å; L299-M318 HydrophobicContact CD1-SD 3.79Å
300R85.3Confident84.4Confident188 Ų18897.1 Ų97.171%0.70945%0.447SS*.G310 helixtrans-56.7-25.7-174.1-171.9176.4-176.4175.51.9114.4R296 V297 L302 C303R296-R300 PolarHBondContact O-N 3.43Å; V297-R300 VanDerWaalsContact O-CB 3.26Å; V297-R300 WeakPolarHBondContact O-CB 3.48Å; V297-R300 PolarHBondContact O-N 3.14Å; R300-L302 VanDerWaalsContact C-N 3.26Å; R300-L302 PolarHBondContact O-N 2.88Å; R300-C303 VanDerWaalsContact O-CB 3.32Å; R300-C303 WeakPolarHBondContact O-CB 2.92Å; R300-C303 PolarHBondContact O-N 3.25Å; R300-C303 PolarHBondContact O-SG 3.36Å
301A86.5Confident84.6Confident62 Ų6288.8 Ų88.851%0.51241%0.411SS..G310 helixtrans-64.1-29.2175.500000113.1L299 C303 Q304L299-A301 PolarHBondContact O-N 2.89Å; A301-C303 PolarHBondContact O-N 2.9Å; A301-Q304 PolarHBondContact O-N 3.31Å
302L86.4Confident84.8Confident63 Ų6384.3 Ų84.333%0.3339%0.39SS..G310 helixtrans-65.8-22.4178.1-60.3179.1000112.6L299 R300 Q304 F305 M306 F311 F314L299-L302 HydrophobicContact CB-CD1 4.42Å; L299-L302 HydrophobicContact CD2-CD1 3.87Å; L299-L302 WeakPolarHBondContact O-CB 3.47Å; L299-L302 PolarHBondContact O-N 3.46Å; R300-L302 VanDerWaalsContact C-N 3.26Å; R300-L302 PolarHBondContact O-N 2.88Å; L302-Q304 PolarHBondContact O-N 3.01Å; L302-F305 PolarHBondContact O-N 3.21Å; L302-M306 HydrophobicContact CB-SD 4.16Å; L302-M306 PolarHBondContact O-N 3.3Å; L302-F311 HydrophobicContact CB-CD2 4.17Å; L302-F311 HydrophobicContact CB-CE2 4.15Å; L302-F314 HydrophobicContact CD1-CD1 4.41Å; L302-F314 HydrophobicContact CD1-CE1 3.82Å; L302-F314 HydrophobicContact CD1-CZ 4.45Å
303C84.2Confident85.1Confident20 Ų2089.1 Ų89.114%0.13541%0.413CS..G310 helixtrans-62.9-10.5175.2-55.70000114.3Y226 R300 A301 F305Y226-C303 HydrophobicContact CE1-CB 3.76Å; Y226-C303 VanDerWaalsContact CE1-SG 3.53Å; Y226-C303 HydrophobicContact CE2-CB 3.93Å; Y226-C303 WeakPolarHBondContact CE2-O 3.48Å; Y226-C303 VanDerWaalsContact CZ-CB 3.42Å; Y226-C303 VanDerWaalsContact OH-CA 3.31Å; Y226-C303 WeakPolarHBondContact OH-CA 3.35Å; Y226-C303 WeakPolarHBondContact OH-CB 3.37Å; Y226-C303 PolarHBondContact OH-SG 2.75Å; R300-C303 VanDerWaalsContact O-CB 3.32Å; R300-C303 WeakPolarHBondContact O-CB 2.92Å; R300-C303 PolarHBondContact O-N 3.25Å; R300-C303 PolarHBondContact O-SG 3.36Å; A301-C303 PolarHBondContact O-N 2.9Å; C303-F305 VanDerWaalsContact C-N 3.32Å
304Q81.2Confident85.4Confident117 Ų11787 Ų8755%0.54740%0.404SS..G310 helixtrans-81.9-12172.9-62.7-179.9-13.100113.1A301 L302A301-Q304 PolarHBondContact O-N 3.31Å; L302-Q304 PolarHBondContact O-N 3.01Å
305F83.3Confident85.5Confident157 Ų15782.5 Ų82.569%0.68938%0.383SS*.THydrogen-bonded Turntrans-130.8-0.5-169.2-53.5-74.5000113.9L302 C303L302-F305 PolarHBondContact O-N 3.21Å; C303-F305 VanDerWaalsContact C-N 3.32Å
306M83.7Confident85.6Confident48 Ų4885.3 Ų85.324%0.23640%0.396CS..SBendtrans-134.4146.2-177.2-60.3-177.471.200109.5Y226 L302 E310 F311 F314Y226-M306 PolarHBondContact OH-O 3.26Å; L302-M306 HydrophobicContact CB-SD 4.16Å; L302-M306 PolarHBondContact O-N 3.3Å; M306-E310 HydrophobicContact CB-CB 4.49Å; M306-E310 HydrophobicContact CE-CB 3.9Å; M306-F311 HydrophobicContact CB-CB 4.39Å; M306-F314 HydrophobicContact CE-CB 4.01Å; M306-F314 HydrophobicContact CE-CG 4.47Å
307A81.4Confident85.9Confident32 Ų3285.5 Ų85.526%0.26440%0.403SS..  trans-67.815316800000110.1D225 R309 E310 F311D225-A307 WeakPolarHBondContact OD2-CB 3.42Å; A307-R309 VanDerWaalsContact C-N 3.28Å; A307-R309 PolarHBondContact O-N 3.38Å; A307-E310 HydrophobicContact CB-CG 4.12Å; A307-E310 WeakPolarHBondContact CB-OE2 3.44Å; A307-E310 PolarHBondContact N-OE2 3.09Å; A307-E310 WeakPolarHBondContact O-CB 3.47Å; A307-E310 PolarHBondContact O-N 2.56Å; A307-F311 PolarHBondContact O-N 3.21Å
308H82.1Confident86Confident66 Ų6682 Ų8231%0.30638%0.38SS..Hα-helixtrans-54.8-44-175.917650.4000112.8D225 Y226 E310 F311 E312D225-H308 VanDerWaalsContact C-CB 3.48Å; D225-H308 HydrophobicContact CB-CB 3.86Å; D225-H308 WeakPolarHBondContact O-CB 3.08Å; D225-H308 PolarHBondContact O-CD2 2.95Å; D225-H308 VanDerWaalsContact O-CD2 3.29Å; D225-H308 VanDerWaalsContact O-CG 3.3Å; Y226-H308 HydrophobicContact CD1-CB 4.03Å; Y226-H308 AromaticContact CD1-CG 3.99Å; Y226-H308 AromaticContact CD1-ND1 3.5Å; Y226-H308 HydrophobicContact CD2-CB 4.17Å; Y226-H308 HydrophobicContact CE1-CB 3.97Å; Y226-H308 AromaticContact CE1-ND1 3.43Å; Y226-H308 WeakPolarHBondContact CE1-ND1 3.31Å; Y226-H308 HydrophobicContact CE2-CB 4.1Å; Y226-H308 HydrophobicContact CG-CB 4.13Å; H308-E310 PolarHBondContact O-N 2.99Å; H308-F311 PolarHBondContact O-N 2.92Å; H308-E312 VanDerWaalsContact CE1-CG 3.47Å; H308-E312 WeakPolarHBondContact CE1-CG 3.45Å; H308-E312 IonicContact CE1-OE1 3.13Å; H308-E312 PolarHBondContact CE1-OE1 2.71Å; H308-E312 VanDerWaalsContact CE1-OE1 3.29Å; H308-E312 IonicContact ND1-OE1 3.93Å; H308-E312 WeakPolarHBondContact O-CG 3.44Å; H308-E312 PolarHBondContact O-N 3.25Å
309R82.4Confident86Confident199 Ų19975.2 Ų75.275%0.75136%0.355SS*.Hα-helixtrans-58.3-45.3177178179.7169.3178.3-3.2112.6A307 F311 E312 E313A307-R309 VanDerWaalsContact C-N 3.28Å; A307-R309 PolarHBondContact O-N 3.38Å; R309-F311 VanDerWaalsContact C-N 3.33Å; R309-E312 PolarHBondContact O-N 2.8Å; R309-E313 WeakPolarHBondContact O-CB 3.42Å; R309-E313 PolarHBondContact O-N 3.38Å
310E85.8Confident86Confident107 Ų10779.7 Ų79.750%0.537%0.374SS..Hα-helixtrans-66.1-38.6-179.7-58.4175.1135.600111M306 A307 H308 E313 F314M306-E310 HydrophobicContact CB-CB 4.49Å; M306-E310 HydrophobicContact CE-CB 3.9Å; A307-E310 HydrophobicContact CB-CG 4.12Å; A307-E310 WeakPolarHBondContact CB-OE2 3.44Å; A307-E310 PolarHBondContact N-OE2 3.09Å; A307-E310 WeakPolarHBondContact O-CB 3.47Å; A307-E310 PolarHBondContact O-N 2.56Å; H308-E310 PolarHBondContact O-N 2.99Å; E310-E313 PolarHBondContact O-N 3.31Å; E310-F314 VanDerWaalsContact O-CB 3.29Å; E310-F314 WeakPolarHBondContact O-CB 3.43Å; E310-F314 PolarHBondContact O-N 3.46Å
311F88.9Confident86.4Confident5 Ų574.9 Ų74.92%0.02236%0.359CS..Hα-helixtrans-66-43.1176.5177.8-93.6000112.4Y226 R296 L299 L302 M306 A307 H308 R309 F314 F315Y226-F311 HydrophobicContact CE1-CD1 4.42Å; Y226-F311 WeakPolarHBondContact OH-CB 3.48Å; R296-F311 HydrophobicContact CG-CE1 4.34Å; R296-F311 HydrophobicContact CG-CZ 4.47Å; L299-F311 HydrophobicContact CB-CE2 4.03Å; L299-F311 HydrophobicContact CB-CZ 4.17Å; L299-F311 WeakPolarHBondContact O-CE2 3.23Å; L302-F311 HydrophobicContact CB-CD2 4.17Å; L302-F311 HydrophobicContact CB-CE2 4.15Å; M306-F311 HydrophobicContact CB-CB 4.39Å; A307-F311 PolarHBondContact O-N 3.21Å; H308-F311 PolarHBondContact O-N 2.92Å; R309-F311 VanDerWaalsContact C-N 3.33Å; F311-F314 PolarHBondContact O-N 2.88Å; F311-F315 WeakPolarHBondContact O-CB 3.1Å; F311-F315 PolarHBondContact O-N 3.02Å
312E85.7Confident86.5Confident46 Ų4677 Ų7722%0.21535%0.354CS..Hα-helixtrans-64-42.4174.6-63.3-56.5118.100111.4R296 H308 R309 F315 E316R296-E312 IonicContact CZ-OE1 2.71Å; R296-E312 VanDerWaalsContact CZ-OE1 3.24Å; R296-E312 IonicContact CZ-OE2 3.39Å; R296-E312 IonicContact NE-OE1 3.86Å; R296-E312 IonicContact NH1-OE1 3.95Å; R296-E312 IonicContact NH1-OE2 3.94Å; R296-E312 PolarHBondContact NH1-OE2 3.02Å; R296-E312 IonicContact NH2-OE1 3.89Å; R296-E312 PolarHBondContact NH2-OE1 3.17Å; R296-E312 IonicContact NH2-OE2 2.96Å; R296-E312 PolarHBondContact NH2-OE2 3.23Å; H308-E312 VanDerWaalsContact CE1-CG 3.47Å; H308-E312 WeakPolarHBondContact CE1-CG 3.45Å; H308-E312 IonicContact CE1-OE1 3.13Å; H308-E312 PolarHBondContact CE1-OE1 2.71Å; H308-E312 VanDerWaalsContact CE1-OE1 3.29Å; H308-E312 IonicContact ND1-OE1 3.93Å; H308-E312 WeakPolarHBondContact O-CG 3.44Å; H308-E312 PolarHBondContact O-N 3.25Å; R309-E312 PolarHBondContact O-N 2.8Å; E312-F315 PolarHBondContact O-N 3.21Å; E312-E316 PolarHBondContact O-N 2.71Å
313E88.7Confident86.6Confident109 Ų10977.8 Ų77.851%0.50936%0.361SS..Hα-helixtrans-64-43.7177.1-179.7168.4178.600112R309 E310 F315 E316 N317R309-E313 WeakPolarHBondContact O-CB 3.42Å; R309-E313 PolarHBondContact O-N 3.38Å; E310-E313 PolarHBondContact O-N 3.31Å; E313-F315 VanDerWaalsContact C-N 3.32Å; E313-F315 PolarHBondContact O-N 3.05Å; E313-E316 PolarHBondContact O-N 3.14Å; E313-N317 WeakPolarHBondContact CG-ND2 3.4Å; E313-N317 VanDerWaalsContact O-CB 3.27Å; E313-N317 WeakPolarHBondContact O-CB 3.36Å; E313-N317 PolarHBondContact O-N 3.3Å; E313-N317 PolarHBondContact O-ND2 2.66Å
314F89.4Confident87.1Confident83 Ų8381.7 Ų81.736%0.36438%0.38SS..Hα-helixtrans-58.4-43.9172.5172.4-103.8000111.7L299 L302 M306 E310 F311 N317 M318L299-F314 HydrophobicContact CD1-CE1 4.16Å; L299-F314 HydrophobicContact CD2-CE1 4.45Å; L302-F314 HydrophobicContact CD1-CD1 4.41Å; L302-F314 HydrophobicContact CD1-CE1 3.82Å; L302-F314 HydrophobicContact CD1-CZ 4.45Å; M306-F314 HydrophobicContact CE-CB 4.01Å; M306-F314 HydrophobicContact CE-CG 4.47Å; E310-F314 VanDerWaalsContact O-CB 3.29Å; E310-F314 WeakPolarHBondContact O-CB 3.43Å; E310-F314 PolarHBondContact O-N 3.46Å; F311-F314 PolarHBondContact O-N 2.88Å; F314-N317 PolarHBondContact O-N 3.45Å; F314-M318 VanDerWaalsContact O-CB 3.32Å; F314-M318 WeakPolarHBondContact O-CB 3.46Å; F314-M318 PolarHBondContact O-N 3.46Å
315F87.9Confident87.8Confident4 Ų483 Ų832%0.01838%0.38CS..Hα-helixtrans-63.9-46.4179.5-172.7-92.7000112.4E292 Q295 R296 L299 F311 E312 E313 M318 H319E292-F315 HydrophobicContact CB-CE1 4.47Å; E292-F315 HydrophobicContact CB-CZ 4.06Å; E292-F315 HydrophobicContact CG-CZ 4.48Å; E292-F315 WeakPolarHBondContact O-CZ 3.48Å; Q295-F315 HydrophobicContact CB-CE2 4.49Å; Q295-F315 HydrophobicContact CG-CE2 4.41Å; R296-F315 HydrophobicContact CB-CD2 4.34Å; R296-F315 HydrophobicContact CB-CE2 3.63Å; R296-F315 HydrophobicContact CB-CZ 3.95Å; R296-F315 HydrophobicContact CG-CD2 4.38Å; R296-F315 HydrophobicContact CG-CE2 4.12Å; R296-F315 HydrophobicContact CG-CZ 4.48Å; L299-F315 HydrophobicContact CD1-CD2 4.14Å; F311-F315 WeakPolarHBondContact O-CB 3.1Å; F311-F315 PolarHBondContact O-N 3.02Å; E312-F315 PolarHBondContact O-N 3.21Å; E313-F315 VanDerWaalsContact C-N 3.32Å; E313-F315 PolarHBondContact O-N 3.05Å; F315-M318 HydrophobicContact CD2-CE 3.73Å; F315-M318 HydrophobicContact CE2-CE 4Å; F315-M318 HydrophobicContact CG-CE 4.41Å; F315-M318 PolarHBondContact O-N 3.12Å; F315-H319 PolarHBondContact O-N 3.04Å
316E88.4Confident88.2Confident88 Ų8877.5 Ų77.541%0.41136%0.364SS..Hα-helixtrans-65.1-41.7175.9-75.4-60.4143.200112.1E312 E313 M318 H319 K320E312-E316 PolarHBondContact O-N 2.71Å; E313-E316 PolarHBondContact O-N 3.14Å; E316-M318 PolarHBondContact O-N 2.75Å; E316-H319 PolarHBondContact O-N 3.23Å; E316-K320 VanDerWaalsContact O-CB 3.28Å; E316-K320 WeakPolarHBondContact O-CB 3.21Å; E316-K320 PolarHBondContact O-N 3.09Å
317N90.6Very high88.6Confident79 Ų7979.3 Ų79.342%0.42237%0.37SS..Hα-helixtrans-62.4-42.9176.8-80.5-34.8000112.1E313 F314 K320 E321E313-N317 WeakPolarHBondContact CG-ND2 3.4Å; E313-N317 VanDerWaalsContact O-CB 3.27Å; E313-N317 WeakPolarHBondContact O-CB 3.36Å; E313-N317 PolarHBondContact O-N 3.3Å; E313-N317 PolarHBondContact O-ND2 2.66Å; F314-N317 PolarHBondContact O-N 3.45Å; N317-K320 WeakPolarHBondContact O-CB 3.46Å; N317-K320 PolarHBondContact O-N 3.12Å; N317-E321 WeakPolarHBondContact O-CB 3.46Å; N317-E321 PolarHBondContact O-N 3.07Å
318M89.1Confident89.3Confident33 Ų3381.2 Ų81.216%0.16338%0.379CS..Hα-helixtrans-65.4-36.5175.1178.2-16754.800112.4Q295 L299 F314 F315 E316 R322Q295-M318 HydrophobicContact CG-CE 4.04Å; Q295-M318 PolarHBondContact NE2-SD 3.28Å; L299-M318 HydrophobicContact CD1-CE 3.36Å; L299-M318 HydrophobicContact CD1-SD 3.79Å; F314-M318 VanDerWaalsContact O-CB 3.32Å; F314-M318 WeakPolarHBondContact O-CB 3.46Å; F314-M318 PolarHBondContact O-N 3.46Å; F315-M318 HydrophobicContact CD2-CE 3.73Å; F315-M318 HydrophobicContact CE2-CE 4Å; F315-M318 HydrophobicContact CG-CE 4.41Å; F315-M318 PolarHBondContact O-N 3.12Å; E316-M318 PolarHBondContact O-N 2.75Å; M318-R322 PolarHBondContact O-N 3.3Å; M318-R322 VanDerWaalsContact O-N 3.15Å
319H86Confident89.9Confident38 Ų3884.8 Ų84.818%0.17639%0.389CS..Hα-helixtrans-65.4-48171.8177.297.8000111.3R286 E292 F315 E316 E321 R322 V323R286-H319 PolarHBondContact NH2-CD2 2.81Å; R286-H319 VanDerWaalsContact NH2-CD2 3.3Å; R286-H319 PolarHBondContact NH2-CE1 2.77Å; R286-H319 PolarHBondContact NH2-ND1 2.72Å; R286-H319 PolarHBondContact NH2-NE2 3.07Å; E292-H319 IonicContact OE1-CE1 3.08Å; E292-H319 PolarHBondContact OE1-CE1 3.36Å; E292-H319 IonicContact OE1-CG 2.66Å; E292-H319 IonicContact OE1-ND1 3.99Å; E292-H319 PolarHBondContact OE1-ND1 2.84Å; E292-H319 IonicContact OE1-NE2 3.2Å; F315-H319 PolarHBondContact O-N 3.04Å; E316-H319 PolarHBondContact O-N 3.23Å; H319-E321 VanDerWaalsContact C-N 3.29Å; H319-E321 PolarHBondContact O-N 3.19Å; H319-R322 WeakPolarHBondContact O-CB 2.97Å; H319-R322 PolarHBondContact O-N 3.18Å; H319-R322 VanDerWaalsContact O-N 3.07Å; H319-V323 WeakPolarHBondContact NE2-CG2 3.45Å; H319-V323 PolarHBondContact O-N 3.03Å
320K88.8Confident90.3Very high130 Ų13078 Ų7857%0.56537%0.366SS*.Hα-helixtrans-57.3-42.1177.6-174.8179.3-179.9-178.10111.2E316 N317 V323 L324E316-K320 VanDerWaalsContact O-CB 3.28Å; E316-K320 WeakPolarHBondContact O-CB 3.21Å; E316-K320 PolarHBondContact O-N 3.09Å; N317-K320 WeakPolarHBondContact O-CB 3.46Å; N317-K320 PolarHBondContact O-N 3.12Å; K320-V323 PolarHBondContact O-N 3.08Å; K320-L324 HydrophobicContact CG-CD1 4.12Å; K320-L324 WeakPolarHBondContact O-CB 3.38Å; K320-L324 VanDerWaalsContact O-CG 3.26Å; K320-L324 WeakPolarHBondContact O-CG 3.41Å; K320-L324 PolarHBondContact O-N 2.8Å
321E93.4Very high90.6Very high87 Ų8776.2 Ų76.241%0.40736%0.359SS..Hα-helixtrans-58.5-47.2172.7-167.3-155.7165.800111.9N317 H319 V323 L324 R325N317-E321 WeakPolarHBondContact O-CB 3.46Å; N317-E321 PolarHBondContact O-N 3.07Å; H319-E321 VanDerWaalsContact C-N 3.29Å; H319-E321 PolarHBondContact O-N 3.19Å; E321-V323 PolarHBondContact O-N 3.14Å; E321-L324 PolarHBondContact O-N 3.06Å; E321-R325 WeakPolarHBondContact O-CB 3.41Å; E321-R325 WeakPolarHBondContact O-CG 3.36Å; E321-R325 PolarHBondContact O-N 3.31Å; E321-R325 IonicContact OE1-CZ 3.66Å; E321-R325 IonicContact OE1-NE 2.74Å; E321-R325 PolarHBondContact OE1-NE 3.13Å; E321-R325 IonicContact OE1-NH2 2.86Å; E321-R325 PolarHBondContact OE1-NH2 2.71Å
322R88.6Confident90.8Very high107 Ų10781 Ų8140%0.40438%0.382SS..Hα-helixtrans-60-44.4177.5-178.1-179.8-68.6156.78.5111.8Q295 M318 H319 R325 A326Q295-R322 VanDerWaalsContact CD-NH2 3.29Å; M318-R322 PolarHBondContact O-N 3.3Å; M318-R322 VanDerWaalsContact O-N 3.15Å; H319-R322 WeakPolarHBondContact O-CB 2.97Å; H319-R322 PolarHBondContact O-N 3.18Å; H319-R322 VanDerWaalsContact O-N 3.07Å; R322-R325 PolarHBondContact O-N 3.34Å; R322-A326 WeakPolarHBondContact O-CB 3.34Å; R322-A326 PolarHBondContact O-N 2.74Å
323V89.3Confident91.1Very high78 Ų7883.2 Ų83.247%0.47339%0.388SS..Hα-helixtrans-63.1-46.8177.4173.30000110.8H319 K320 E321 R325 A326 K327H319-V323 WeakPolarHBondContact NE2-CG2 3.45Å; H319-V323 PolarHBondContact O-N 3.03Å; K320-V323 PolarHBondContact O-N 3.08Å; E321-V323 PolarHBondContact O-N 3.14Å; V323-R325 PolarHBondContact O-N 2.91Å; V323-A326 WeakPolarHBondContact O-CB 3.36Å; V323-A326 PolarHBondContact O-N 2.9Å; V323-K327 PolarHBondContact O-N 2.78Å
324L94.3Very high91.3Very high102 Ų10278.7 Ų78.753%0.53437%0.367SS..Hα-helixtrans-61.3-45.2176.9-71.8170.4000111.7K320 E321 A326 K327 V328K320-L324 HydrophobicContact CG-CD1 4.12Å; K320-L324 WeakPolarHBondContact O-CB 3.38Å; K320-L324 VanDerWaalsContact O-CG 3.26Å; K320-L324 WeakPolarHBondContact O-CG 3.41Å; K320-L324 PolarHBondContact O-N 2.8Å; E321-L324 PolarHBondContact O-N 3.06Å; L324-A326 VanDerWaalsContact C-N 3.3Å; L324-A326 PolarHBondContact O-N 3.49Å; L324-K327 PolarHBondContact O-N 2.88Å; L324-V328 WeakPolarHBondContact O-CG2 3.35Å; L324-V328 PolarHBondContact O-N 3.18Å
325R95Very high91.3Very high144 Ų14482.7 Ų82.754%0.54338%0.379SS..Hα-helixtrans-61.5-36.1174.8-73.4-176.4-175.1-91.65.6112.5E321 R322 V323 R329E321-R325 WeakPolarHBondContact O-CB 3.41Å; E321-R325 WeakPolarHBondContact O-CG 3.36Å; E321-R325 PolarHBondContact O-N 3.31Å; E321-R325 IonicContact OE1-CZ 3.66Å; E321-R325 IonicContact OE1-NE 2.74Å; E321-R325 PolarHBondContact OE1-NE 3.13Å; E321-R325 IonicContact OE1-NH2 2.86Å; E321-R325 PolarHBondContact OE1-NH2 2.71Å; R322-R325 PolarHBondContact O-N 3.34Å; V323-R325 PolarHBondContact O-N 2.91Å; R325-R329 WeakPolarHBondContact O-CG 3.36Å; R325-R329 PolarHBondContact O-N 2.96Å
326A92.1Very high91.6Very high43 Ų4391.8 Ų91.836%0.35541%0.413SS..Hα-helixtrans-65.9-47.1173.500000111.4R322 V323 L324 V328 R329 E330R322-A326 WeakPolarHBondContact O-CB 3.34Å; R322-A326 PolarHBondContact O-N 2.74Å; V323-A326 WeakPolarHBondContact O-CB 3.36Å; V323-A326 PolarHBondContact O-N 2.9Å; L324-A326 VanDerWaalsContact C-N 3.3Å; L324-A326 PolarHBondContact O-N 3.49Å; A326-V328 PolarHBondContact O-N 3.13Å; A326-R329 PolarHBondContact O-N 3.05Å; A326-E330 PolarHBondContact O-N 3.03Å
327K93.2Very high91.6Very high85 Ų8592 Ų9237%0.3742%0.418SS..Hα-helixtrans-64-37.9178.3-169.254.7166.9-173.20112.7V323 L324 E330 L331V323-K327 PolarHBondContact O-N 2.78Å; L324-K327 PolarHBondContact O-N 2.88Å; K327-E330 HydrophobicContact CD-CB 4.49Å; K327-E330 WeakPolarHBondContact CD-OE2 3.39Å; K327-E330 IonicContact NZ-OE1 2.77Å; K327-E330 PolarHBondContact NZ-OE1 2.95Å; K327-E330 IonicContact NZ-OE2 2.72Å; K327-E330 PolarHBondContact NZ-OE2 3.36Å; K327-E330 VanDerWaalsContact NZ-OE2 3.08Å; K327-E330 WeakPolarHBondContact O-CB 3.34Å; K327-E330 PolarHBondContact O-N 3.28Å; K327-L331 HydrophobicContact CD-CG 4.43Å; K327-L331 HydrophobicContact CG-CD1 4.2Å; K327-L331 HydrophobicContact CG-CG 4.46Å; K327-L331 VanDerWaalsContact O-CG 3.28Å; K327-L331 WeakPolarHBondContact O-CG 3.45Å; K327-L331 PolarHBondContact O-N 3.24Å
328V95.4Very high91.5Very high73 Ų7391 Ų9144%0.44243%0.426SS..Hα-helixtrans-61.4-45.2173.3168.80000111L324 A326 E330 L331 Q332L324-V328 WeakPolarHBondContact O-CG2 3.35Å; L324-V328 PolarHBondContact O-N 3.18Å; A326-V328 PolarHBondContact O-N 3.13Å; V328-E330 VanDerWaalsContact C-N 3.31Å; V328-E330 PolarHBondContact O-N 3.21Å; V328-L331 PolarHBondContact O-N 3.17Å; V328-Q332 HydrophobicContact CG1-CG 4.38Å; V328-Q332 WeakPolarHBondContact O-CB 3.3Å; V328-Q332 VanDerWaalsContact O-CG 3.23Å; V328-Q332 WeakPolarHBondContact O-CG 3.2Å; V328-Q332 PolarHBondContact O-N 2.94Å
329R94.6Very high91.6Very high141 Ų14190.3 Ų90.353%0.53242%0.423SS..Hα-helixtrans-64.6-34.4176.2-72.8-175.4-62.9-103.61.1113.1R325 A326 R333R325-R329 WeakPolarHBondContact O-CG 3.36Å; R325-R329 PolarHBondContact O-N 2.96Å; A326-R329 PolarHBondContact O-N 3.05Å; R329-R333 WeakPolarHBondContact O-CB 3.3Å; R329-R333 PolarHBondContact O-N 3.13Å
330E92.1Very high91.7Very high55 Ų5592.5 Ų92.526%0.25744%0.439SS..Hα-helixtrans-64.6-53.1173.6-171.6-156.8134.200110.8A326 K327 V328 Q332 R333 Y334A326-E330 PolarHBondContact O-N 3.03Å; K327-E330 HydrophobicContact CD-CB 4.49Å; K327-E330 WeakPolarHBondContact CD-OE2 3.39Å; K327-E330 IonicContact NZ-OE1 2.77Å; K327-E330 PolarHBondContact NZ-OE1 2.95Å; K327-E330 IonicContact NZ-OE2 2.72Å; K327-E330 PolarHBondContact NZ-OE2 3.36Å; K327-E330 VanDerWaalsContact NZ-OE2 3.08Å; K327-E330 WeakPolarHBondContact O-CB 3.34Å; K327-E330 PolarHBondContact O-N 3.28Å; V328-E330 VanDerWaalsContact C-N 3.31Å; V328-E330 PolarHBondContact O-N 3.21Å; E330-Q332 VanDerWaalsContact C-N 3.33Å; E330-Q332 PolarHBondContact O-N 3.49Å; E330-R333 WeakPolarHBondContact O-CA 3.43Å; E330-R333 VanDerWaalsContact O-CB 3.26Å; E330-R333 WeakPolarHBondContact O-CB 3.35Å; E330-R333 PolarHBondContact O-N 2.94Å; E330-Y334 VanDerWaalsContact CD-OH 3.28Å; E330-Y334 HydrophobicContact CG-CE1 4.2Å; E330-Y334 HydrophobicContact CG-CE2 3.78Å; E330-Y334 WeakPolarHBondContact CG-OH 3.46Å; E330-Y334 PolarHBondContact O-N 2.83Å; E330-Y334 WeakPolarHBondContact OE1-CE2 3.2Å; E330-Y334 PolarHBondContact OE1-OH 3.37Å
331L91.6Very high91.7Very high70 Ų7094.3 Ų94.337%0.36644%0.442SS..Hα-helixtrans-61.4-38.8177.7-66.2171.8000112.4K327 V328 R333 Y334 R335 L342K327-L331 HydrophobicContact CD-CG 4.43Å; K327-L331 HydrophobicContact CG-CD1 4.2Å; K327-L331 HydrophobicContact CG-CG 4.46Å; K327-L331 VanDerWaalsContact O-CG 3.28Å; K327-L331 WeakPolarHBondContact O-CG 3.45Å; K327-L331 PolarHBondContact O-N 3.24Å; V328-L331 PolarHBondContact O-N 3.17Å; L331-R333 VanDerWaalsContact C-N 3.28Å; L331-R333 PolarHBondContact O-N 3.12Å; L331-Y334 HydrophobicContact CD2-CD2 4.08Å; L331-Y334 HydrophobicContact CD2-CE2 4.39Å; L331-Y334 PolarHBondContact O-N 3.36Å; L331-R335 WeakPolarHBondContact O-CG 3.49Å; L331-R335 PolarHBondContact O-N 3.01Å; L331-L342 HydrophobicContact CD2-CD2 4.41Å
332Q92.8Very high91.3Very high105 Ų10596.1 Ų96.149%0.49145%0.454SS..Hα-helixtrans-66.1-26.5172.1-74.2173.5-11.500113.2V328 E330 R336V328-Q332 HydrophobicContact CG1-CG 4.38Å; V328-Q332 WeakPolarHBondContact O-CB 3.3Å; V328-Q332 VanDerWaalsContact O-CG 3.23Å; V328-Q332 WeakPolarHBondContact O-CG 3.2Å; V328-Q332 PolarHBondContact O-N 2.94Å; E330-Q332 VanDerWaalsContact C-N 3.33Å; E330-Q332 PolarHBondContact O-N 3.49Å; Q332-R336 WeakPolarHBondContact O-CG 3.26Å; Q332-R336 PolarHBondContact O-N 3.37Å; Q332-R336 PolarHBondContact O-NE 3.01Å
333R92.3Very high91.3Very high93 Ų9398.7 Ų98.735%0.35147%0.471SS..Hα-helixtrans-73.4-44.2171.8-179.1-174.2-62.5-173.4-3.5110.4R329 E330 L331 R336 N337R329-R333 WeakPolarHBondContact O-CB 3.3Å; R329-R333 PolarHBondContact O-N 3.13Å; E330-R333 WeakPolarHBondContact O-CA 3.43Å; E330-R333 VanDerWaalsContact O-CB 3.26Å; E330-R333 WeakPolarHBondContact O-CB 3.35Å; E330-R333 PolarHBondContact O-N 2.94Å; L331-R333 VanDerWaalsContact C-N 3.28Å; L331-R333 PolarHBondContact O-N 3.12Å; R333-R336 PolarHBondContact O-N 3.28Å; R333-N337 PolarHBondContact O-N 2.86Å; R333-N337 VanDerWaalsContact O-N 3.13Å; R333-N337 PolarHBondContact O-ND2 2.89Å
334Y91.6Very high91.2Very high14 Ų1498.4 Ų98.46%0.05546%0.464CS..Hα-helixtrans-56.7-51.5175.7-62.3-23.7000111.3E330 L331 R336 N337 G338 I339 S345 Y348 E349E330-Y334 VanDerWaalsContact CD-OH 3.28Å; E330-Y334 HydrophobicContact CG-CE1 4.2Å; E330-Y334 HydrophobicContact CG-CE2 3.78Å; E330-Y334 WeakPolarHBondContact CG-OH 3.46Å; E330-Y334 PolarHBondContact O-N 2.83Å; E330-Y334 WeakPolarHBondContact OE1-CE2 3.2Å; E330-Y334 PolarHBondContact OE1-OH 3.37Å; L331-Y334 HydrophobicContact CD2-CD2 4.08Å; L331-Y334 HydrophobicContact CD2-CE2 4.39Å; L331-Y334 PolarHBondContact O-N 3.36Å; Y334-R336 VanDerWaalsContact C-N 3.32Å; Y334-R336 PolarHBondContact O-N 2.9Å; Y334-N337 CarbonylContact O-C 3.44Å; Y334-N337 PolarHBondContact O-N 3.37Å; Y334-G338 PolarHBondContact O-N 3.44Å; Y334-I339 HydrophobicContact CD1-CD1 3.83Å; Y334-I339 HydrophobicContact CG-CD1 4.11Å; Y334-I339 WeakPolarHBondContact O-CB 3.4Å; Y334-I339 PolarHBondContact O-N 2.82Å; Y334-I339 VanDerWaalsContact O-N 3.09Å; Y334-S345 VanDerWaalsContact CE2-CB 3.45Å; Y334-Y348 AromaticContact CD1-CD1 3.75Å; Y334-Y348 HydrophobicContact CD1-CD1 3.75Å; Y334-Y348 AromaticContact CD1-CE1 3.84Å; Y334-Y348 HydrophobicContact CD1-CE1 3.84Å; Y334-Y348 AromaticContact CE1-CD1 3.61Å; Y334-Y348 HydrophobicContact CE1-CD1 3.61Å; Y334-Y348 AromaticContact CE1-CE1 3.84Å; Y334-Y348 HydrophobicContact CE1-CE1 3.84Å; Y334-E349 HydrophobicContact CE1-CG 3.91Å; Y334-E349 VanDerWaalsContact OH-CG 3.24Å; Y334-E349 WeakPolarHBondContact OH-CG 3.32Å
335R90.9Very high90.9Very high167 Ų16794.4 Ų94.463%0.6345%0.445SS*.Hα-helixtrans-55.8-42.3176.5-69.9-68-177.5-175.2-5.8113.2L331 N337 G338 T340L331-R335 WeakPolarHBondContact O-CG 3.49Å; L331-R335 PolarHBondContact O-N 3.01Å; R335-N337 VanDerWaalsContact C-N 3.25Å; R335-N337 PolarHBondContact O-N 2.92Å; R335-G338 PolarHBondContact O-N 3.04Å; R335-T340 PolarHBondContact NH1-O 3.21Å; R335-T340 PolarHBondContact NH2-O 3.43Å
336R92.6Very high90.6Very high195 Ų19590.9 Ų90.974%0.73645%0.446SS*.Hα-helixtrans-68.5-18.4176.4-78.6-174.5-67159.5-6114.7Q332 R333 Y334Q332-R336 WeakPolarHBondContact O-CG 3.26Å; Q332-R336 PolarHBondContact O-N 3.37Å; Q332-R336 PolarHBondContact O-NE 3.01Å; R333-R336 PolarHBondContact O-N 3.28Å; Y334-R336 VanDerWaalsContact C-N 3.32Å; Y334-R336 PolarHBondContact O-N 2.9Å
337N89.3Confident90.4Very high93 Ų9396.2 Ų96.250%0.49746%0.464SS..THydrogen-bonded Turntrans-102.818.9176-69.1-91.7000112.1R333 Y334 R335 I339 Y348R333-N337 PolarHBondContact O-N 2.86Å; R333-N337 VanDerWaalsContact O-N 3.13Å; R333-N337 PolarHBondContact O-ND2 2.89Å; Y334-N337 CarbonylContact O-C 3.44Å; Y334-N337 PolarHBondContact O-N 3.37Å; R335-N337 VanDerWaalsContact C-N 3.25Å; R335-N337 PolarHBondContact O-N 2.92Å; N337-I339 VanDerWaalsContact C-N 3.31Å; N337-I339 PolarHBondContact O-N 2.89Å; N337-Y348 HydrophobicContact CB-CE2 3.84Å; N337-Y348 PolarHBondContact ND2-OH 2.96Å
338G89.6Confident90.2Very high58 Ų5894.9 Ų94.960%0.59846%0.457SS*.THydrogen-bonded Turntrans79.83.6174.700000115.5Y334 R335 T340Y334-G338 PolarHBondContact O-N 3.44Å; R335-G338 PolarHBondContact O-N 3.04Å; G338-T340 PolarHBondContact O-N 3.49Å
339I91.2Very high90Very high18 Ų1893.5 Ų93.59%0.09245%0.446CS..  trans-74.1126.9177.3-60.9173.4000108.9Y334 N337 R341 E344 Y348Y334-I339 HydrophobicContact CD1-CD1 3.83Å; Y334-I339 HydrophobicContact CG-CD1 4.11Å; Y334-I339 WeakPolarHBondContact O-CB 3.4Å; Y334-I339 PolarHBondContact O-N 2.82Å; Y334-I339 VanDerWaalsContact O-N 3.09Å; N337-I339 VanDerWaalsContact C-N 3.31Å; N337-I339 PolarHBondContact O-N 2.89Å; I339-R341 VanDerWaalsContact CG2-O 3.25Å; I339-R341 WeakPolarHBondContact CG2-O 3.33Å; I339-E344 HydrophobicContact CG2-CB 3.81Å; I339-Y348 VanDerWaalsContact CD1-CB 3.41Å; I339-Y348 HydrophobicContact CD1-CD1 3.84Å; I339-Y348 HydrophobicContact CD1-CD2 3.71Å; I339-Y348 HydrophobicContact CD1-CE2 4.4Å; I339-Y348 HydrophobicContact CD1-CG 3.37Å
340T87.1Confident89.7Confident85 Ų8589.7 Ų89.752%0.52145%0.445SS..  trans-114.9-23-175.766.70000113.5R335 G338 E344R335-T340 PolarHBondContact NH1-O 3.21Å; R335-T340 PolarHBondContact NH2-O 3.43Å; G338-T340 PolarHBondContact O-N 3.49Å; T340-E344 PolarHBondContact N-OE2 3.29Å
341R88.3Confident89.5Confident167 Ų16789.4 Ų89.463%0.6345%0.452SS*.SBendtrans-114.1155.9178.1-57.5179.5175.2-173.4-1.4111.3I339 E344I339-R341 VanDerWaalsContact CG2-O 3.25Å; I339-R341 WeakPolarHBondContact CG2-O 3.33Å; R341-E344 HydrophobicContact CB-CG 4.15Å; R341-E344 WeakPolarHBondContact CD-OE1 3.39Å; R341-E344 WeakPolarHBondContact CG-OE1 3.25Å; R341-E344 PolarHBondContact N-OE2 3.47Å
342L86.2Confident89.3Confident126 Ų12689.3 Ų89.366%0.6645%0.446SS*.SBendtrans-72.6-31.8179.2-101.4156.2000112.6L331 E344 S345L331-L342 HydrophobicContact CD2-CD2 4.41Å; L342-E344 PolarHBondContact O-N 2.92Å; L342-S345 WeakPolarHBondContact O-CB 2.89Å; L342-S345 PolarHBondContact O-N 3.2Å; L342-S345 PolarHBondContact O-OG 3.39Å
343E87.9Confident89.1Confident161 Ų16190 Ų9075%0.75245%0.449SS*.THydrogen-bonded Turntrans-61.7-42.3179.5-67.1153.2-16800111.9S345 A346E343-S345 PolarHBondContact O-N 3.47Å; E343-S345 VanDerWaalsContact O-N 3.1Å; E343-A346 PolarHBondContact O-N 3.41Å
344E87.6Confident89Confident71 Ų7191.8 Ų91.833%0.33246%0.46SS..Hα-helixtrans-58.2-21.1176.2-66.6160.9-168.600113.5I339 T340 R341 L342 A346 Y348I339-E344 HydrophobicContact CG2-CB 3.81Å; T340-E344 PolarHBondContact N-OE2 3.29Å; R341-E344 HydrophobicContact CB-CG 4.15Å; R341-E344 WeakPolarHBondContact CD-OE1 3.39Å; R341-E344 WeakPolarHBondContact CG-OE1 3.25Å; R341-E344 PolarHBondContact N-OE2 3.47Å; L342-E344 PolarHBondContact O-N 2.92Å; E344-A346 VanDerWaalsContact C-N 3.35Å; E344-A346 PolarHBondContact O-N 3.16Å; E344-Y348 PolarHBondContact O-N 2.94Å
345S87.9Confident88.7Confident18 Ų18100.2 Ų100.213%0.12649%0.491CS..Hα-helixtrans-70.9-28.9-17476.90000113.7Y334 L342 E343 Y348 E349Y334-S345 VanDerWaalsContact CE2-CB 3.45Å; L342-S345 WeakPolarHBondContact O-CB 2.89Å; L342-S345 PolarHBondContact O-N 3.2Å; L342-S345 PolarHBondContact O-OG 3.39Å; E343-S345 PolarHBondContact O-N 3.47Å; E343-S345 VanDerWaalsContact O-N 3.1Å; S345-Y348 PolarHBondContact O-N 3.08Å; S345-E349 PolarHBondContact O-N 2.81Å
346A88.1Confident88.5Confident70 Ų7096.8 Ų96.858%0.57948%0.482SS*.Hα-helixtrans-66.5-44-17900000111.7E343 E344 A350E343-A346 PolarHBondContact O-N 3.41Å; E344-A346 VanDerWaalsContact C-N 3.35Å; E344-A346 PolarHBondContact O-N 3.16Å; A346-A350 WeakPolarHBondContact O-CB 3.5Å; A346-A350 PolarHBondContact O-N 2.74Å
347E87.9Confident88.3Confident155 Ų15593.1 Ų93.172%0.72447%0.472SS*.Hα-helixtrans-66.2-40.7176.8-61.2-172.117300111.7A350 A351E347-A350 PolarHBondContact O-N 2.84Å; E347-A351 VanDerWaalsContact O-CB 3.3Å; E347-A351 WeakPolarHBondContact O-CB 3.15Å; E347-A351 PolarHBondContact O-N 3.2Å
348Y89.3Confident88.1Confident57 Ų5797 Ų9722%0.22448%0.479CS..Hα-helixtrans-61.5-48.9175.6172-94000112.6Y334 N337 I339 E344 S345 A351 R352Y334-Y348 AromaticContact CD1-CD1 3.75Å; Y334-Y348 HydrophobicContact CD1-CD1 3.75Å; Y334-Y348 AromaticContact CD1-CE1 3.84Å; Y334-Y348 HydrophobicContact CD1-CE1 3.84Å; Y334-Y348 AromaticContact CE1-CD1 3.61Å; Y334-Y348 HydrophobicContact CE1-CD1 3.61Å; Y334-Y348 AromaticContact CE1-CE1 3.84Å; Y334-Y348 HydrophobicContact CE1-CE1 3.84Å; N337-Y348 HydrophobicContact CB-CE2 3.84Å; N337-Y348 PolarHBondContact ND2-OH 2.96Å; I339-Y348 VanDerWaalsContact CD1-CB 3.41Å; I339-Y348 HydrophobicContact CD1-CD1 3.84Å; I339-Y348 HydrophobicContact CD1-CD2 3.71Å; I339-Y348 HydrophobicContact CD1-CE2 4.4Å; I339-Y348 HydrophobicContact CD1-CG 3.37Å; E344-Y348 PolarHBondContact O-N 2.94Å; S345-Y348 PolarHBondContact O-N 3.08Å; Y348-A351 PolarHBondContact O-N 2.7Å; Y348-R352 VanDerWaalsContact O-CB 3.27Å; Y348-R352 WeakPolarHBondContact O-CB 3.49Å; Y348-R352 PolarHBondContact O-N 2.76Å
349E90.4Very high87.9Confident45 Ų45101.3 Ų101.321%0.2148%0.482CS..Hα-helixtrans-67.4-35.8178.8-78.6-61.9150.900111.7Y334 S345 A351 R352 H353Y334-E349 HydrophobicContact CE1-CG 3.91Å; Y334-E349 VanDerWaalsContact OH-CG 3.24Å; Y334-E349 WeakPolarHBondContact OH-CG 3.32Å; S345-E349 PolarHBondContact O-N 2.81Å; E349-A351 PolarHBondContact O-N 3.34Å; E349-R352 PolarHBondContact O-N 2.91Å; E349-R352 IonicContact OE1-NH1 3.84Å; E349-R352 PolarHBondContact OE1-NH1 3.28Å; E349-R352 IonicContact OE2-CZ 3.68Å; E349-R352 IonicContact OE2-NE 3.23Å; E349-R352 IonicContact OE2-NH1 3.06Å; E349-R352 PolarHBondContact OE2-NH1 2.99Å; E349-H353 VanDerWaalsContact O-CB 3.23Å; E349-H353 WeakPolarHBondContact O-CB 3.48Å; E349-H353 PolarHBondContact O-N 3.36Å
350A88.6Confident87.6Confident61 Ų61106.5 Ų106.550%0.50451%0.506SS..Hα-helixtrans-61.2-45.1171.700000112.1A346 E347 K354A346-A350 WeakPolarHBondContact O-CB 3.5Å; A346-A350 PolarHBondContact O-N 2.74Å; E347-A350 PolarHBondContact O-N 2.84Å; A350-K354 VanDerWaalsContact O-CB 3.32Å; A350-K354 WeakPolarHBondContact O-CB 3.48Å; A350-K354 PolarHBondContact O-N 3.29Å
351A88.1Confident87.3Confident49 Ų49107 Ų10741%0.40551%0.505SS..Hα-helixtrans-66.5-38.4176.400000112.5E347 Y348 E349 R355E347-A351 VanDerWaalsContact O-CB 3.3Å; E347-A351 WeakPolarHBondContact O-CB 3.15Å; E347-A351 PolarHBondContact O-N 3.2Å; Y348-A351 PolarHBondContact O-N 2.7Å; E349-A351 PolarHBondContact O-N 3.34Å; A351-R355 WeakPolarHBondContact O-CB 3.46Å; A351-R355 PolarHBondContact O-N 2.99Å; A351-R355 VanDerWaalsContact O-N 3.13Å
352R88Confident87.1Confident67 Ų67106.8 Ų106.825%0.25351%0.509SS..Hα-helixtrans-65.2-51.5175.2179.1-173155.4-123.9-16.1111.1Y348 E349 K354 R355 E356Y348-R352 VanDerWaalsContact O-CB 3.27Å; Y348-R352 WeakPolarHBondContact O-CB 3.49Å; Y348-R352 PolarHBondContact O-N 2.76Å; E349-R352 PolarHBondContact O-N 2.91Å; E349-R352 IonicContact OE1-NH1 3.84Å; E349-R352 PolarHBondContact OE1-NH1 3.28Å; E349-R352 IonicContact OE2-CZ 3.68Å; E349-R352 IonicContact OE2-NE 3.23Å; E349-R352 IonicContact OE2-NH1 3.06Å; E349-R352 PolarHBondContact OE2-NH1 2.99Å; R352-K354 VanDerWaalsContact C-N 3.3Å; R352-K354 PolarHBondContact O-N 3.44Å; R352-R355 CarbonylContact O-C 3.52Å; R352-R355 WeakPolarHBondContact O-CA 3.36Å; R352-R355 VanDerWaalsContact O-CB 3.28Å; R352-R355 WeakPolarHBondContact O-CB 3.11Å; R352-R355 PolarHBondContact O-N 3.44Å; R352-E356 IonicContact CZ-OE1 2.66Å; R352-E356 VanDerWaalsContact CZ-OE1 3.23Å; R352-E356 IonicContact CZ-OE2 3.66Å; R352-E356 IonicContact NE-OE1 3.55Å; R352-E356 PolarHBondContact NE-OE1 2.88Å; R352-E356 IonicContact NE-OE2 3.77Å; R352-E356 VanDerWaalsContact NH2-CD 3.31Å; R352-E356 IonicContact NH2-OE1 3.74Å; R352-E356 PolarHBondContact NH2-OE1 2.86Å; R352-E356 IonicContact NH2-OE2 2.71Å; R352-E356 PolarHBondContact NH2-OE2 3.29Å; R352-E356 PolarHBondContact O-N 3.49Å
353H88.7Confident86.6Confident120 Ų120105.8 Ų105.856%0.55650%0.504SS*.Hα-helixtrans-59.6-40.9179.1-178.9-109.3000111.5E349 R355 E356 K357E349-H353 VanDerWaalsContact O-CB 3.23Å; E349-H353 WeakPolarHBondContact O-CB 3.48Å; E349-H353 PolarHBondContact O-N 3.36Å; H353-R355 VanDerWaalsContact C-N 3.25Å; H353-R355 PolarHBondContact O-N 3Å; H353-E356 PolarHBondContact O-N 2.88Å; H353-K357 WeakPolarHBondContact O-CB 3.42Å; H353-K357 PolarHBondContact O-N 2.9Å
354K88.8Confident86Confident131 Ų131102.2 Ų102.257%0.5749%0.493SS*.Hα-helixtrans-61.5-31.3172-167.6173.1-173.5173.60112.6A350 R352 R358A350-K354 VanDerWaalsContact O-CB 3.32Å; A350-K354 WeakPolarHBondContact O-CB 3.48Å; A350-K354 PolarHBondContact O-N 3.29Å; R352-K354 VanDerWaalsContact C-N 3.3Å; R352-K354 PolarHBondContact O-N 3.44Å; K354-R358 WeakPolarHBondContact O-CB 3.38Å; K354-R358 WeakPolarHBondContact O-CD 3.38Å; K354-R358 WeakPolarHBondContact O-CG 2.99Å; K354-R358 PolarHBondContact O-N 2.91Å
355R85.7Confident85.2Confident191 Ų191103 Ų10372%0.72150%0.503SS*.Hα-helixtrans-78.1-42.1176.9-149.6-177.2-60.4-141.16112A351 R352 H353 R358 K359A351-R355 WeakPolarHBondContact O-CB 3.46Å; A351-R355 PolarHBondContact O-N 2.99Å; A351-R355 VanDerWaalsContact O-N 3.13Å; R352-R355 CarbonylContact O-C 3.52Å; R352-R355 WeakPolarHBondContact O-CA 3.36Å; R352-R355 VanDerWaalsContact O-CB 3.28Å; R352-R355 WeakPolarHBondContact O-CB 3.11Å; R352-R355 PolarHBondContact O-N 3.44Å; H353-R355 VanDerWaalsContact C-N 3.25Å; H353-R355 PolarHBondContact O-N 3Å; R355-R358 PolarHBondContact O-N 3.18Å; R355-K359 PolarHBondContact O-N 2.82Å; R355-K359 VanDerWaalsContact O-N 3.12Å
356E87Confident84.1Confident94 Ų94105.1 Ų105.144%0.43952%0.521SS..Hα-helixtrans-64.2-49.1174.8-77.3176.8-175.900111.2R352 H353 R358 K359 E360R352-E356 IonicContact CZ-OE1 2.66Å; R352-E356 VanDerWaalsContact CZ-OE1 3.23Å; R352-E356 IonicContact CZ-OE2 3.66Å; R352-E356 IonicContact NE-OE1 3.55Å; R352-E356 PolarHBondContact NE-OE1 2.88Å; R352-E356 IonicContact NE-OE2 3.77Å; R352-E356 VanDerWaalsContact NH2-CD 3.31Å; R352-E356 IonicContact NH2-OE1 3.74Å; R352-E356 PolarHBondContact NH2-OE1 2.86Å; R352-E356 IonicContact NH2-OE2 2.71Å; R352-E356 PolarHBondContact NH2-OE2 3.29Å; R352-E356 PolarHBondContact O-N 3.49Å; H353-E356 PolarHBondContact O-N 2.88Å; E356-R358 VanDerWaalsContact C-N 3.28Å; E356-R358 PolarHBondContact O-N 3.42Å; E356-K359 CarbonylContact O-C 3.49Å; E356-K359 WeakPolarHBondContact O-CA 3.29Å; E356-K359 WeakPolarHBondContact O-CB 3.38Å; E356-K359 PolarHBondContact O-N 2.66Å; E356-E360 PolarHBondContact O-N 2.79Å
357K88.2Confident82.9Confident119 Ų119106.7 Ų106.752%0.51753%0.528SS..Hα-helixtrans-59.3-34.9176.7-170.7170-174.7171.30113.3H353 N361H353-K357 WeakPolarHBondContact O-CB 3.42Å; H353-K357 PolarHBondContact O-N 2.9Å; K357-N361 WeakPolarHBondContact O-CB 3.47Å; K357-N361 PolarHBondContact O-N 3.01Å
358R85.5Confident81.5Confident174 Ų174108.1 Ų108.166%0.65753%0.531SS*.Hα-helixtrans-66.8-38.3171.9-79.4172.4173.4-170.4-4.1112.4K354 R355 E356 K362K354-R358 WeakPolarHBondContact O-CB 3.38Å; K354-R358 WeakPolarHBondContact O-CD 3.38Å; K354-R358 WeakPolarHBondContact O-CG 2.99Å; K354-R358 PolarHBondContact O-N 2.91Å; R355-R358 PolarHBondContact O-N 3.18Å; E356-R358 VanDerWaalsContact C-N 3.28Å; E356-R358 PolarHBondContact O-N 3.42Å; R358-K362 WeakPolarHBondContact O-CB 3.48Å; R358-K362 PolarHBondContact O-N 2.79Å; R358-K362 VanDerWaalsContact O-N 3.16Å
359K86.3Confident79.9Confident148 Ų148115.7 Ų115.764%0.64356%0.56SS**Hα-helixtrans-70-42.4177.2-170.9-179179.3-175.70111.4R355 E356 K362 N363R355-K359 PolarHBondContact O-N 2.82Å; R355-K359 VanDerWaalsContact O-N 3.12Å; E356-K359 CarbonylContact O-C 3.49Å; E356-K359 WeakPolarHBondContact O-CA 3.29Å; E356-K359 WeakPolarHBondContact O-CB 3.38Å; E356-K359 PolarHBondContact O-N 2.66Å; K359-K362 PolarHBondContact O-N 2.91Å; K359-N363 PolarHBondContact O-N 3.47Å
360E83.6Confident78.1Confident127 Ų127117 Ų11759%0.59359%0.586SS**Hα-helixtrans-61.7-50.9176.2-172.8173.4-151.300111.6E356 K362 N363 V364E356-E360 PolarHBondContact O-N 2.79Å; E360-K362 PolarHBondContact O-N 3.32Å; E360-N363 WeakPolarHBondContact O-CB 3.27Å; E360-N363 PolarHBondContact O-N 3.38Å; E360-V364 WeakPolarHBondContact O-CG2 3.23Å; E360-V364 PolarHBondContact O-N 3.08Å
361N81.8Confident76.2Confident96 Ų96117.5 Ų117.551%0.51360%0.596SS.*Hα-helixtrans-56.4-37.9173.7-78.911.5000112.4K357 V364 V365K357-N361 WeakPolarHBondContact O-CB 3.47Å; K357-N361 PolarHBondContact O-N 3.01Å; N361-V364 PolarHBondContact O-N 3.42Å; N361-V365 VanDerWaalsContact O-CG2 3.32Å; N361-V365 WeakPolarHBondContact O-CG2 3.32Å; N361-V365 PolarHBondContact O-N 2.89Å
362K82.6Confident73.9Confident163 Ų163120.8 Ų120.871%0.70962%0.617SS**Hα-helixtrans-67.3-38.7176.7-164.2177.1-177.5-178.30112R358 K359 E360 A366R358-K362 WeakPolarHBondContact O-CB 3.48Å; R358-K362 PolarHBondContact O-N 2.79Å; R358-K362 VanDerWaalsContact O-N 3.16Å; K359-K362 PolarHBondContact O-N 2.91Å; E360-K362 PolarHBondContact O-N 3.32Å; K362-A366 WeakPolarHBondContact O-CB 3.48Å; K362-A366 PolarHBondContact O-N 2.88Å
363N76Confident71.5Confident104 Ų104121.9 Ų121.956%0.55665%0.648SS**Hα-helixtrans-67-41.1174.4-81.915.4000112.3K359 E360 A366 S367K359-N363 PolarHBondContact O-N 3.47Å; E360-N363 WeakPolarHBondContact O-CB 3.27Å; E360-N363 PolarHBondContact O-N 3.38Å; N363-A366 PolarHBondContact O-N 3.17Å; N363-S367 WeakPolarHBondContact O-CB 3.4Å; N363-S367 PolarHBondContact O-N 3.22Å
364V76.3Confident69Low87 Ų87119.8 Ų119.853%0.52766%0.659SS.*Hα-helixtrans-62.9-42.7176173.90000111.1E360 N361 S367 K368E360-V364 WeakPolarHBondContact O-CG2 3.23Å; E360-V364 PolarHBondContact O-N 3.08Å; N361-V364 PolarHBondContact O-N 3.42Å; V364-S367 PolarHBondContact O-N 3.44Å; V364-K368 WeakPolarHBondContact O-CB 3.27Å; V364-K368 PolarHBondContact O-N 3.14Å
365V69.8Low66.5Low88 Ų88119 Ų11953%0.53368%0.677SS.*Hα-helixtrans-66-36.6175.8171.50000112.1N361 R369N361-V365 VanDerWaalsContact O-CG2 3.32Å; N361-V365 WeakPolarHBondContact O-CG2 3.32Å; N361-V365 PolarHBondContact O-N 2.89Å; V365-R369 PolarHBondContact O-N 2.92Å
366A65.7Low64.1Low62 Ų62112.9 Ų112.951%0.51267%0.674SS.*Hα-helixtrans-66-47.1173.600000111.9K362 N363 K368 R369K362-A366 WeakPolarHBondContact O-CB 3.48Å; K362-A366 PolarHBondContact O-N 2.88Å; N363-A366 PolarHBondContact O-N 3.17Å; A366-K368 PolarHBondContact O-N 3.44Å; A366-R369 PolarHBondContact O-N 3.12Å; A366-R369 VanDerWaalsContact O-N 3.07Å
367S62.4Low61.5Low102 Ų102117.5 Ų117.571%0.71370%0.7SS**Hα-helixtrans-64.3-27.1178.8-163.90000113N363 V364N363-S367 WeakPolarHBondContact O-CB 3.4Å; N363-S367 PolarHBondContact O-N 3.22Å; V364-S367 PolarHBondContact O-N 3.44Å
368K59.4Low58.9Low185 Ų185115 Ų11580%0.80471%0.709SS**THydrogen-bonded Turntrans-83.3-7.7176.6-155.7167.2-174.6175.60113.9V364 A366V364-K368 WeakPolarHBondContact O-CB 3.27Å; V364-K368 PolarHBondContact O-N 3.14Å; A366-K368 PolarHBondContact O-N 3.44Å
369R55.7Low56.4Low216 Ų216113.2 Ų113.282%0.81572%0.723SS**THydrogen-bonded Turntrans-99.3-8.8174.3-82.7-176.3169-174.5-3.9114.3V365 A366 G371V365-R369 PolarHBondContact O-N 2.92Å; A366-R369 PolarHBondContact O-N 3.12Å; A366-R369 VanDerWaalsContact O-N 3.07Å; R369-G371 VanDerWaalsContact C-N 3.31Å; R369-G371 PolarHBondContact O-N 3.47Å
370G52.1Low53.7Low74 Ų74110 Ų11076%0.76373%0.731SS**SBendtrans-87.215.8179.200000115.5
371G47.9Very low51.2Low70 Ų70112.7 Ų112.772%0.72275%0.749SS**  trans-119.540.9-165.300000115.8R369R369-G371 VanDerWaalsContact C-N 3.31Å; R369-G371 PolarHBondContact O-N 3.47Å
372S40.8Very low48.7Very low119 Ų119111.8 Ų111.883%0.83276%0.762SS**SBendtrans-165.2124.2170.157.10000113
373G36.6Very low46.2Very low89 Ų89112.6 Ų112.692%0.91877%0.774SS**  trans119.8115.2173.700000112.9
374G37.8Very low44Very low76 Ų76111.4 Ų111.478%0.78479%0.786SS**  trans-143.4174-178.800000113.5
375A35.8Very low41.8Very low115 Ų115111.5 Ų111.595%0.9580%0.804SS**  trans61144.5-178.300000115.9
376G34.4Very low39.8Very low63 Ų63111.1 Ų111.165%0.64982%0.818SS**  cis170.6178.2-3.300000110.3
377L33.1Very low38.1Very low190 Ų190112 Ų112100%0.99583%0.833SS**  trans71.5142.1176.6-46.7165.3000115.3
378G32.4Very low36.6Very low67 Ų67112.4 Ų112.469%0.69184%0.843SS**  cis175.9142.6-9.400000113.2
379S33.2Very low35.2Very low136 Ų136107.3 Ų107.395%0.95184%0.843SS**  trans52.2123.6156.5-58.30000122.4
380G29.7Very low33.9Very low80 Ų80101.2 Ų101.283%0.82585%0.847SS**  trans-161.4113.516000000110.9
381L31.8Very low32.8Very low185 Ų185101.5 Ų101.597%0.96985%0.85SS**  trans-81.3152.6-173.6-68.8149000112.6
382G28.7Very low31.8Very low77 Ų77101.7 Ų101.779%0.79485%0.852SS**  trans179.3111.6169.800000115
383L31.2Very low31.2Very low180 Ų180100 Ų10094%0.94285%0.853SS**  trans-67.4161.9-174.5-86.265.2000116.6
384G29.4Very low30.8Very low79 Ų79102 Ų10281%0.81485%0.848SS**  trans106.7112.7159.600000112.9
385G29.5Very low30.2Very low89 Ų89105 Ų10592%0.91885%0.851SS**  cis94.6120.742.700000108.7
386G28.8Very low29.8Very low80 Ų80106.4 Ų106.483%0.82585%0.847SS**  cis-173.9-175.5-1.800000110.3
387G29.1Very low29.4Very low80 Ų80106.7 Ų106.783%0.82585%0.85SS**  trans90.9104.8179.400000113.1
388A31Very low29Very low110 Ų110106.7 Ų106.791%0.90985%0.85SS**  cis97126.139.900000113.4
389G30.2Very low28.7Very low79 Ų79106.7 Ų106.781%0.81485%0.85SS**  trans97.598.3-175.400000113
390G29.5Very low28.4Very low87 Ų87107.4 Ų107.490%0.89785%0.848SS**  cis77.1106.615.900000110.3
391G28.5Very low28.3Very low81 Ų81107.1 Ų107.184%0.83585%0.846SS**  cis-166.5172.9300000106.1
392G27.5Very low28.1Very low74 Ų74101.6 Ų101.676%0.76383%0.834SS**  cis122.363.227.500000108.6
393G27.7Very low28Very low83 Ų83101.9 Ų101.986%0.85684%0.836SS**  trans-70.4141.1176.500000111.3
394V28.2Very low28Very low132 Ų132101 Ų10180%0.883%0.831SS**  trans-135.4126.4175.6-178.10000110.4
395T25.7Very low27.9Very low137 Ų137105.3 Ų105.384%0.8483%0.827SS**  trans-107.1111.5168.850.20000110.3
396V26.9Very low28.1Very low145 Ų145110.4 Ų110.488%0.87983%0.827SS**  trans-160142.2156.7-172.60000105.6
397G25.3Very low28.3Very low69 Ų69113.9 Ų113.971%0.71182%0.822SS**  cis179.1178.2-2.200000109.9
398L25.7Very low28.6Very low190 Ų190114.6 Ų114.6100%0.99581%0.814SS**  trans-73.9148.9-179.3-74.1152.1000112.9
399G24.5Very low29.1Very low67 Ų67116.7 Ų116.769%0.69180%0.803SS**  trans-173.3103.7169.800000116.7
400V27.7Very low29.9Very low151 Ų151119.8 Ų119.892%0.91580%0.8SS**  trans70.5132.5152.3-170.80000118
401G28.3Very low31.4Very low75 Ų75117.8 Ų117.877%0.77378%0.78SS**  trans-91.5149.7173.100000112.7
402G26.3Very low33.7Very low69 Ų69118.2 Ų118.271%0.71176%0.761SS**  trans-116.8133.7158.200000108.3I404G402-I404 PolarHBondContact O-N 3.27Å
403G26.7Very low36.5Very low82 Ų82116.2 Ų116.285%0.84573%0.731SS**  trans-64.8118.2168.600000108.7K405G403-K405 PolarHBondContact O-N 3.46Å
404I31.3Very low38.9Very low163 Ų163115.2 Ų115.284%0.83672%0.715SS**  trans-70.1112.8168.2-63.6173.6000105.6G402 E406G402-I404 PolarHBondContact O-N 3.27Å; I404-E406 PolarHBondContact O-N 3.48Å
405K27.5Very low41.4Very low168 Ų168112 Ų11273%0.7370%0.702SS**  trans-59.8132.9161.7-75.1178.7171-176.40107.3G403 E407G403-K405 PolarHBondContact O-N 3.46Å; K405-E407 VanDerWaalsContact C-N 3.26Å; K405-E407 HydrophobicContact CB-CG 4.45Å; K405-E407 PolarHBondContact O-N 3.4Å
406E34.4Very low44.4Very low196 Ų196105.6 Ų105.692%0.91666%0.663SS**  trans-66.495158.1-69.4-176.4148.700107.5I404I404-E406 PolarHBondContact O-N 3.48Å
407E32.5Very low47.2Very low154 Ų154102.4 Ų102.472%0.7264%0.638SS**  trans-91.6114.4155.7-71.1-173.5163.200106.4K405 K409K405-E407 VanDerWaalsContact C-N 3.26Å; K405-E407 HydrophobicContact CB-CG 4.45Å; K405-E407 PolarHBondContact O-N 3.4Å; E407-K409 PolarHBondContact O-N 3.39Å; E407-K409 VanDerWaalsContact O-N 3.16Å
408S36.4Very low50Low94 Ų94106.4 Ų106.466%0.65764%0.643SS**  trans-58.2117.1-178-490000110.6D410S408-D410 VanDerWaalsContact CB-CG 3.47Å; S408-D410 WeakPolarHBondContact CB-OD1 3.33Å; S408-D410 WeakPolarHBondContact CB-OD2 3.35Å; S408-D410 PolarHBondContact O-N 2.96Å
409K41.2Very low52.7Low154 Ų154100.9 Ų100.967%0.6761%0.614SS**  trans-82.252.9173.7-78.6179140.1-157.50110.8E407 G411 E412E407-K409 PolarHBondContact O-N 3.39Å; E407-K409 VanDerWaalsContact O-N 3.16Å; K409-G411 VanDerWaalsContact C-N 3.26Å; K409-G411 PolarHBondContact O-N 3.04Å; K409-E412 WeakPolarHBondContact CD-OE2 3.36Å; K409-E412 VanDerWaalsContact CE-OE2 3.3Å; K409-E412 WeakPolarHBondContact CE-OE2 3.28Å; K409-E412 IonicContact NZ-OE1 3.6Å; K409-E412 IonicContact NZ-OE2 3.92Å; K409-E412 PolarHBondContact NZ-OE2 2.86Å; K409-E412 PolarHBondContact O-N 2.82Å
410D46.1Very low55.5Low144 Ų144103.3 Ų103.377%0.7762%0.616SS**THydrogen-bonded Turntrans-70.281-178-59.1-26.6000109.8S408S408-D410 VanDerWaalsContact CB-CG 3.47Å; S408-D410 WeakPolarHBondContact CB-OD1 3.33Å; S408-D410 WeakPolarHBondContact CB-OD2 3.35Å; S408-D410 PolarHBondContact O-N 2.96Å
411G62.3Low58.1Low46 Ų4697 Ų9747%0.47458%0.581SS.*THydrogen-bonded Turntrans154.6-15.6179.400000117.4K409 F413K409-G411 VanDerWaalsContact C-N 3.26Å; K409-G411 PolarHBondContact O-N 3.04Å; G411-F413 PolarHBondContact O-N 2.71Å
412E76.4Confident61Low90 Ų9093.8 Ų93.842%0.42155%0.546SS..THydrogen-bonded Turntrans-66.5-23.6-175-168.8167.6-175.200113.2K409 N434K409-E412 WeakPolarHBondContact CD-OE2 3.36Å; K409-E412 VanDerWaalsContact CE-OE2 3.3Å; K409-E412 WeakPolarHBondContact CE-OE2 3.28Å; K409-E412 IonicContact NZ-OE1 3.6Å; K409-E412 IonicContact NZ-OE2 3.92Å; K409-E412 PolarHBondContact NZ-OE2 2.86Å; K409-E412 PolarHBondContact O-N 2.82Å; E412-N434 PolarHBondContact O-ND2 2.94Å; E412-N434 VanDerWaalsContact O-ND2 3.12Å
413F85.1Confident63.9Low32 Ų3297.4 Ų97.414%0.1454%0.544CS..THydrogen-bonded Turntrans-12713.4-178.2-55.8-65000114.7G411 A415 I416 E417 F422 K430 V431G411-F413 PolarHBondContact O-N 2.71Å; F413-A415 PolarHBondContact O-N 3.22Å; F413-I416 HydrophobicContact CB-CG1 4.17Å; F413-I416 HydrophobicContact CD1-CD1 4.47Å; F413-I416 WeakPolarHBondContact O-CG1 3.36Å; F413-I416 PolarHBondContact O-N 3.03Å; F413-E417 HydrophobicContact CB-CB 4.36Å; F413-E417 WeakPolarHBondContact O-CB 3.35Å; F413-E417 PolarHBondContact O-N 3.47Å; F413-F422 HydrophobicContact CB-CE2 3.76Å; F413-F422 HydrophobicContact CB-CZ 3.66Å; F413-F422 HydrophobicContact CD2-CZ 4.13Å; F413-F422 HydrophobicContact CG-CE2 4.12Å; F413-F422 AromaticContact CG-CZ 3.99Å; F413-F422 HydrophobicContact CG-CZ 3.99Å; F413-K430 HydrophobicContact CD1-CB 3.89Å; F413-K430 HydrophobicContact CE1-CB 3.67Å; F413-K430 HydrophobicContact CG-CB 4.41Å; F413-K430 HydrophobicContact CZ-CB 4.01Å; F413-V431 HydrophobicContact CE1-CG2 3.84Å; F413-V431 HydrophobicContact CZ-CG2 4.04Å
414A79.1Confident66.8Low62 Ų6297.5 Ų97.551%0.51253%0.525SS..THydrogen-bonded Turntrans-52.7-26.5-169.800000115.4I416A414-I416 VanDerWaalsContact C-N 3.33Å; A414-I416 PolarHBondContact O-N 3.49Å
415A81.1Confident69.5Low65 Ų6590.2 Ų90.254%0.53749%0.488SS..THydrogen-bonded Turntrans-71.7-19.6175.800000114.8F413F413-A415 PolarHBondContact O-N 3.22Å
416I87Confident72.5Confident2 Ų285 Ų851%0.0147%0.472CS..THydrogen-bonded Turntrans-130.2-12.2-176.260.2165.9000114.6F413 A414 N418 L419 F422 K430 C433 N434 P440F413-I416 HydrophobicContact CB-CG1 4.17Å; F413-I416 HydrophobicContact CD1-CD1 4.47Å; F413-I416 WeakPolarHBondContact O-CG1 3.36Å; F413-I416 PolarHBondContact O-N 3.03Å; A414-I416 VanDerWaalsContact C-N 3.33Å; A414-I416 PolarHBondContact O-N 3.49Å; I416-N418 PolarHBondContact O-N 3.1Å; I416-L419 HydrophobicContact CB-CD1 4.34Å; I416-L419 HydrophobicContact CG2-CD1 4.25Å; I416-L419 WeakPolarHBondContact O-CB 3.15Å; I416-L419 PolarHBondContact O-N 3.02Å; I416-L419 VanDerWaalsContact O-N 3.12Å; I416-F422 HydrophobicContact CB-CD2 4.46Å; I416-F422 HydrophobicContact CD1-CD2 4.05Å; I416-F422 HydrophobicContact CD1-CE2 3.87Å; I416-F422 HydrophobicContact CG1-CD2 3.98Å; I416-F422 HydrophobicContact CG1-CE2 3.82Å; I416-F422 WeakPolarHBondContact O-CD2 3.42Å; I416-K430 WeakPolarHBondContact CD1-O 3.19Å; I416-C433 HydrophobicContact CD1-CB 3.87Å; I416-N434 HydrophobicContact CD1-CB 4.13Å; I416-P440 HydrophobicContact CB-CG 4.28Å
417E86.8Confident75.1Confident77 Ų7781.2 Ų81.236%0.3646%0.458SS..THydrogen-bonded Turntrans-60.3-43.6-174.1-178.5161.6-145.400113.4F413 L419 F422F413-E417 HydrophobicContact CB-CB 4.36Å; F413-E417 WeakPolarHBondContact O-CB 3.35Å; F413-E417 PolarHBondContact O-N 3.47Å; E417-L419 PolarHBondContact O-N 3.16Å; E417-F422 HydrophobicContact CB-CD1 4.46Å; E417-F422 HydrophobicContact CB-CE1 4.09Å; E417-F422 HydrophobicContact CB-CE2 4.46Å; E417-F422 HydrophobicContact CB-CZ 4.08Å; E417-F422 HydrophobicContact CG-CD1 4.33Å; E417-F422 HydrophobicContact CG-CE1 3.83Å; E417-F422 HydrophobicContact CG-CZ 4.2Å; E417-F422 WeakPolarHBondContact O-CD1 3.23Å
418N83.4Confident78Confident153 Ų15382.7 Ų82.782%0.81846%0.457SS*.THydrogen-bonded Turntrans-82.59.5177.6-64.3-58.9000114I416I416-N418 PolarHBondContact O-N 3.1Å
419L83.6Confident80.8Confident75 Ų7578.5 Ų78.539%0.39343%0.427SS..SBendtrans-97.1140.5-177-57.9-176.9000112.1I416 E417 G421 F422 P440I416-L419 HydrophobicContact CB-CD1 4.34Å; I416-L419 HydrophobicContact CG2-CD1 4.25Å; I416-L419 WeakPolarHBondContact O-CB 3.15Å; I416-L419 PolarHBondContact O-N 3.02Å; I416-L419 VanDerWaalsContact O-N 3.12Å; E417-L419 PolarHBondContact O-N 3.16Å; L419-G421 PolarHBondContact O-N 3.25Å; L419-F422 VanDerWaalsContact O-CB 3.3Å; L419-F422 WeakPolarHBondContact O-CB 3.4Å; L419-F422 PolarHBondContact O-N 2.98Å; L419-P440 HydrophobicContact CB-CG 4.23Å
420T83.6Confident83.3Confident118 Ų11872.4 Ų72.472%0.72440%0.401SS*.THydrogen-bonded Turntrans-50.8127.3179.4-45.30000112.2T441T420-T441 PolarHBondContact O-N 3.05Å; T420-T441 PolarHBondContact O-OG1 2.77Å
421G81.9Confident85.5Confident18 Ų1869.1 Ų69.119%0.18639%0.386CS..THydrogen-bonded Turntrans87.52.1-17900000115.4L419 E423 L424 P440L419-G421 PolarHBondContact O-N 3.25Å; G421-E423 VanDerWaalsContact C-N 3.27Å; G421-E423 PolarHBondContact O-N 3.28Å; G421-L424 WeakPolarHBondContact O-CB 3.32Å; G421-L424 PolarHBondContact O-N 3.36Å; G421-P440 VanDerWaalsContact C-CB 3.42Å
422F87.8Confident87Confident8 Ų867.6 Ų67.64%0.03537%0.367CS..G310 helixtrans-54.5-42.2174.4179-110000112.7F413 I416 E417 L419 L424 L425 K430 P440F413-F422 HydrophobicContact CB-CE2 3.76Å; F413-F422 HydrophobicContact CB-CZ 3.66Å; F413-F422 HydrophobicContact CD2-CZ 4.13Å; F413-F422 HydrophobicContact CG-CE2 4.12Å; F413-F422 AromaticContact CG-CZ 3.99Å; F413-F422 HydrophobicContact CG-CZ 3.99Å; I416-F422 HydrophobicContact CB-CD2 4.46Å; I416-F422 HydrophobicContact CD1-CD2 4.05Å; I416-F422 HydrophobicContact CD1-CE2 3.87Å; I416-F422 HydrophobicContact CG1-CD2 3.98Å; I416-F422 HydrophobicContact CG1-CE2 3.82Å; I416-F422 WeakPolarHBondContact O-CD2 3.42Å; E417-F422 HydrophobicContact CB-CD1 4.46Å; E417-F422 HydrophobicContact CB-CE1 4.09Å; E417-F422 HydrophobicContact CB-CE2 4.46Å; E417-F422 HydrophobicContact CB-CZ 4.08Å; E417-F422 HydrophobicContact CG-CD1 4.33Å; E417-F422 HydrophobicContact CG-CE1 3.83Å; E417-F422 HydrophobicContact CG-CZ 4.2Å; E417-F422 WeakPolarHBondContact O-CD1 3.23Å; L419-F422 VanDerWaalsContact O-CB 3.3Å; L419-F422 WeakPolarHBondContact O-CB 3.4Å; L419-F422 PolarHBondContact O-N 2.98Å; F422-L424 PolarHBondContact O-N 3.39Å; F422-L424 VanDerWaalsContact O-N 3.16Å; F422-L425 WeakPolarHBondContact O-CB 3.33Å; F422-L425 PolarHBondContact O-N 2.93Å; F422-L425 VanDerWaalsContact O-N 3.14Å; F422-K430 HydrophobicContact CD2-CD 4.34Å; F422-K430 HydrophobicContact CD2-CG 4.21Å; F422-K430 HydrophobicContact CE1-CD 4.15Å; F422-K430 VanDerWaalsContact CE1-NZ 3.33Å; F422-K430 HydrophobicContact CE2-CB 4.14Å; F422-K430 HydrophobicContact CE2-CD 3.61Å; F422-K430 HydrophobicContact CE2-CG 3.68Å; F422-K430 HydrophobicContact CZ-CD 3.52Å; F422-K430 HydrophobicContact CZ-CG 4.14Å; F422-K430 WeakPolarHBondContact O-CE 3.4Å; F422-P440 HydrophobicContact CB-CG 3.96Å; F422-P440 HydrophobicContact CD2-CG 4.27Å
423E88.6Confident87.9Confident145 Ų14563.3 Ų63.368%0.67835%0.347SS*.G310 helixtrans-69-8.7178.4-56.1-50.3154.200115.1G421 K430G421-E423 VanDerWaalsContact C-N 3.27Å; G421-E423 PolarHBondContact O-N 3.28Å; E423-K430 IonicContact OE2-NZ 3.69Å
424L86.7Confident88.2Confident83 Ų8364.8 Ų64.844%0.43536%0.356SS..G310 helixtrans-92.3-3.6176.4-48.4-179.9000112.2M208 G421 F422 L444M208-L424 HydrophobicContact CE-CD2 3.48Å; M208-L424 VanDerWaalsContact CE-CD2 3.48Å; M208-L424 HydrophobicContact SD-CD2 4.39Å; G421-L424 WeakPolarHBondContact O-CB 3.32Å; G421-L424 PolarHBondContact O-N 3.36Å; F422-L424 PolarHBondContact O-N 3.39Å; F422-L424 VanDerWaalsContact O-N 3.16Å; L424-L444 HydrophobicContact CB-CD1 3.86Å; L424-L444 HydrophobicContact CB-CD2 4.41Å; L424-L444 HydrophobicContact CD1-CD1 3.98Å; L424-L444 HydrophobicContact CG-CD1 4.44Å
425L88.6Confident88.9Confident10 Ų1064.6 Ų64.65%0.05235%0.351CS..SBendtrans-92.3133.7178.2-56.4-174.5000110.8F422 E429 K430 C433 P440 Y443 L444F422-L425 WeakPolarHBondContact O-CB 3.33Å; F422-L425 PolarHBondContact O-N 2.93Å; F422-L425 VanDerWaalsContact O-N 3.14Å; L425-E429 HydrophobicContact CB-CB 3.99Å; L425-E429 HydrophobicContact CD2-CB 4.21Å; L425-K430 HydrophobicContact CB-CG 3.6Å; L425-K430 HydrophobicContact CD1-CG 4.14Å; L425-K430 WeakPolarHBondContact O-CE 3.29Å; L425-C433 HydrophobicContact CD1-CB 4.16Å; L425-P440 HydrophobicContact CD1-CB 3.74Å; L425-P440 HydrophobicContact CD1-CG 3.9Å; L425-P440 HydrophobicContact CD2-CB 4.44Å; L425-P440 HydrophobicContact CG-CB 4.1Å; L425-Y443 HydrophobicContact CD2-CD1 3.53Å; L425-Y443 HydrophobicContact CD2-CE1 3.91Å; L425-L444 HydrophobicContact CD2-CD1 4.32Å; L425-L444 HydrophobicContact CD2-CD2 3.95Å; L425-L444 HydrophobicContact CD2-CG 3.96Å
426S89Confident89.3Confident58 Ų5862.6 Ų62.641%0.40633%0.331SS..  trans-66.8158.8161.661.90000111.1R428 E429 K430S426-R428 PolarHBondContact O-N 3.45Å; S426-R428 VanDerWaalsContact O-N 3.09Å; S426-E429 WeakPolarHBondContact CB-OE2 3.15Å; S426-E429 PolarHBondContact N-OE2 2.72Å; S426-E429 VanDerWaalsContact N-OE2 3.11Å; S426-E429 CarbonylContact O-C 3.45Å; S426-E429 WeakPolarHBondContact O-CA 3.4Å; S426-E429 WeakPolarHBondContact O-CB 3.29Å; S426-E429 PolarHBondContact O-N 2.89Å; S426-E429 VanDerWaalsContact OG-CG 3.32Å; S426-E429 WeakPolarHBondContact OG-CG 3.33Å; S426-E429 PolarHBondContact OG-OE2 3.46Å; S426-K430 PolarHBondContact O-N 2.78Å
427D90.3Very high89.5Confident117 Ų11769.2 Ų69.263%0.62637%0.367SS*.Hα-helixtrans-54.8-36-177.8-52.9-38.4000113.1E429 K430 V431D427-E429 VanDerWaalsContact C-N 3.29Å; D427-E429 PolarHBondContact O-N 3.31Å; D427-K430 PolarHBondContact O-N 3.17Å; D427-V431 WeakPolarHBondContact O-CG2 3.41Å; D427-V431 PolarHBondContact O-N 3.49Å
428R92.3Very high89.7Confident185 Ų18566 Ų6670%0.69835%0.352SS*.Hα-helixtrans-64.5-33.9174.6-64.7-176.1179.9-174.70.3112.5S426 L432 F482S426-R428 PolarHBondContact O-N 3.45Å; S426-R428 VanDerWaalsContact O-N 3.09Å; R428-L432 WeakPolarHBondContact O-CB 3.49Å; R428-L432 PolarHBondContact O-N 2.7Å; R428-F482 HydrophobicContact CB-CE2 4.12Å; R428-F482 HydrophobicContact CB-CZ 4.03Å
429E95.3Very high90.1Very high6 Ų660.1 Ų60.13%0.02832%0.323CS..Hα-helixtrans-80.2-34.5177-66.1172.7120.100111.7L425 S426 D427 L432 C433 Y443 K447 F482L425-E429 HydrophobicContact CB-CB 3.99Å; L425-E429 HydrophobicContact CD2-CB 4.21Å; S426-E429 WeakPolarHBondContact CB-OE2 3.15Å; S426-E429 PolarHBondContact N-OE2 2.72Å; S426-E429 VanDerWaalsContact N-OE2 3.11Å; S426-E429 CarbonylContact O-C 3.45Å; S426-E429 WeakPolarHBondContact O-CA 3.4Å; S426-E429 WeakPolarHBondContact O-CB 3.29Å; S426-E429 PolarHBondContact O-N 2.89Å; S426-E429 VanDerWaalsContact OG-CG 3.32Å; S426-E429 WeakPolarHBondContact OG-CG 3.33Å; S426-E429 PolarHBondContact OG-OE2 3.46Å; D427-E429 VanDerWaalsContact C-N 3.29Å; D427-E429 PolarHBondContact O-N 3.31Å; E429-L432 PolarHBondContact O-N 3.14Å; E429-C433 WeakPolarHBondContact O-CB 3.5Å; E429-C433 PolarHBondContact O-N 3.43Å; E429-C433 PolarHBondContact O-SG 2.92Å; E429-Y443 HydrophobicContact CB-CE1 3.98Å; E429-Y443 HydrophobicContact CG-CE1 3.93Å; E429-Y443 WeakPolarHBondContact CG-OH 3.29Å; E429-Y443 VanDerWaalsContact OE1-CE1 3.26Å; E429-Y443 WeakPolarHBondContact OE1-CE1 3.4Å; E429-Y443 PolarHBondContact OE1-OH 3.33Å; E429-K447 WeakPolarHBondContact OE1-CD 3.38Å; E429-K447 WeakPolarHBondContact OE1-CE 3.46Å; E429-K447 IonicContact OE1-NZ 2.74Å; E429-K447 PolarHBondContact OE1-NZ 3.01Å; E429-K447 IonicContact OE2-NZ 3.7Å; E429-F482 HydrophobicContact CG-CE1 3.61Å; E429-F482 HydrophobicContact CG-CZ 3.62Å
430K93.6Very high90.6Very high26 Ų2656.6 Ų56.611%0.11330%0.304CS..Hα-helixtrans-57.5-49169.2-65.6-179.4170.3-171.80110.1F413 I416 F422 E423 L425 S426 D427 L432 C433 N434F413-K430 HydrophobicContact CD1-CB 3.89Å; F413-K430 HydrophobicContact CE1-CB 3.67Å; F413-K430 HydrophobicContact CG-CB 4.41Å; F413-K430 HydrophobicContact CZ-CB 4.01Å; I416-K430 WeakPolarHBondContact CD1-O 3.19Å; F422-K430 HydrophobicContact CD2-CD 4.34Å; F422-K430 HydrophobicContact CD2-CG 4.21Å; F422-K430 HydrophobicContact CE1-CD 4.15Å; F422-K430 VanDerWaalsContact CE1-NZ 3.33Å; F422-K430 HydrophobicContact CE2-CB 4.14Å; F422-K430 HydrophobicContact CE2-CD 3.61Å; F422-K430 HydrophobicContact CE2-CG 3.68Å; F422-K430 HydrophobicContact CZ-CD 3.52Å; F422-K430 HydrophobicContact CZ-CG 4.14Å; F422-K430 WeakPolarHBondContact O-CE 3.4Å; E423-K430 IonicContact OE2-NZ 3.69Å; L425-K430 HydrophobicContact CB-CG 3.6Å; L425-K430 HydrophobicContact CD1-CG 4.14Å; L425-K430 WeakPolarHBondContact O-CE 3.29Å; S426-K430 PolarHBondContact O-N 2.78Å; D427-K430 PolarHBondContact O-N 3.17Å; K430-L432 PolarHBondContact O-N 2.76Å; K430-C433 PolarHBondContact O-N 3.11Å; K430-N434 WeakPolarHBondContact O-CB 3.4Å; K430-N434 PolarHBondContact O-N 3.27Å
431V94Very high90.9Very high75 Ų7554.1 Ų54.146%0.45529%0.289SS..Hα-helixtrans-59.7-45173.3172.60000112.2F413 D427 S435F413-V431 HydrophobicContact CE1-CG2 3.84Å; F413-V431 HydrophobicContact CZ-CG2 4.04Å; D427-V431 WeakPolarHBondContact O-CG2 3.41Å; D427-V431 PolarHBondContact O-N 3.49Å; V431-S435 WeakPolarHBondContact O-CB 3.42Å; V431-S435 PolarHBondContact O-N 3.02Å; V431-S435 PolarHBondContact O-OG 3.06Å
432L93.8Very high91.4Very high15 Ų1559.3 Ų59.38%0.07930%0.303CS..Hα-helixtrans-60.7-50.7178.2-177.172.8000111.6R428 E429 K430 N434 S435 L436 Y443 F482R428-L432 WeakPolarHBondContact O-CB 3.49Å; R428-L432 PolarHBondContact O-N 2.7Å; E429-L432 PolarHBondContact O-N 3.14Å; K430-L432 PolarHBondContact O-N 2.76Å; L432-N434 VanDerWaalsContact C-N 3.35Å; L432-N434 PolarHBondContact O-N 2.92Å; L432-S435 CarbonylContact O-C 3.48Å; L432-S435 PolarHBondContact O-N 2.96Å; L432-S435 VanDerWaalsContact O-N 3.16Å; L432-S435 PolarHBondContact O-OG 3.25Å; L432-L436 HydrophobicContact CD1-CD1 3.98Å; L432-L436 HydrophobicContact CD1-CG 4.32Å; L432-L436 HydrophobicContact CD2-CD1 4.24Å; L432-L436 HydrophobicContact CG-CD1 3.75Å; L432-L436 HydrophobicContact CG-CG 4.37Å; L432-L436 WeakPolarHBondContact O-CB 3.37Å; L432-L436 WeakPolarHBondContact O-CG 3.14Å; L432-L436 PolarHBondContact O-N 2.89Å; L432-Y443 HydrophobicContact CD2-CD2 4.24Å; L432-Y443 HydrophobicContact CD2-CE2 3.63Å; L432-F482 HydrophobicContact CB-CD2 4.49Å; L432-F482 HydrophobicContact CB-CE2 4.42Å; L432-F482 HydrophobicContact CD1-CB 4.29Å; L432-F482 HydrophobicContact CD1-CD2 4.2Å; L432-F482 HydrophobicContact CD1-CG 4.32Å; L432-F482 HydrophobicContact CD2-CB 3.92Å; L432-F482 HydrophobicContact CD2-CD1 3.64Å; L432-F482 HydrophobicContact CD2-CD2 3.98Å; L432-F482 HydrophobicContact CD2-CE1 4.13Å; L432-F482 HydrophobicContact CD2-CE2 4.41Å; L432-F482 HydrophobicContact CD2-CG 3.56Å; L432-F482 HydrophobicContact CD2-CZ 4.49Å; L432-F482 HydrophobicContact CG-CD2 4.45Å; L432-F482 HydrophobicContact CG-CG 4.44Å
433C94Very high91.8Very high0 Ų059 Ų590%030%0.301CS..Hα-helixtrans-58.5-45.8-179-69.60000111.5I416 L425 E429 K430 S435 L436 N437 L438 Y443I416-C433 HydrophobicContact CD1-CB 3.87Å; L425-C433 HydrophobicContact CD1-CB 4.16Å; E429-C433 WeakPolarHBondContact O-CB 3.5Å; E429-C433 PolarHBondContact O-N 3.43Å; E429-C433 PolarHBondContact O-SG 2.92Å; K430-C433 PolarHBondContact O-N 3.11Å; C433-S435 PolarHBondContact O-N 2.82Å; C433-L436 CarbonylContact O-C 3.52Å; C433-L436 PolarHBondContact O-N 3.32Å; C433-N437 PolarHBondContact O-N 3.19Å; C433-L438 WeakPolarHBondContact CB-O 3.36Å; C433-L438 PolarHBondContact O-N 3.41Å; C433-Y443 WeakPolarHBondContact SG-CB 3.38Å
434N91.7Very high92Very high63 Ų6353.5 Ų53.534%0.33728%0.277SS..Hα-helixtrans-59.4-47175-160.523.2000111E412 I416 K430 L432 L436 N437E412-N434 PolarHBondContact O-ND2 2.94Å; E412-N434 VanDerWaalsContact O-ND2 3.12Å; I416-N434 HydrophobicContact CD1-CB 4.13Å; K430-N434 WeakPolarHBondContact O-CB 3.4Å; K430-N434 PolarHBondContact O-N 3.27Å; L432-N434 VanDerWaalsContact C-N 3.35Å; L432-N434 PolarHBondContact O-N 2.92Å; N434-L436 PolarHBondContact O-N 2.97Å; N434-N437 PolarHBondContact O-N 3.41Å; N434-N437 VanDerWaalsContact O-N 3.14Å
435S92.9Very high92.3Very high58 Ų5852.6 Ų52.641%0.40628%0.275SS..Hα-helixtrans-70.1-9.4178.383.30000115.9V431 L432 C433 R478V431-S435 WeakPolarHBondContact O-CB 3.42Å; V431-S435 PolarHBondContact O-N 3.02Å; V431-S435 PolarHBondContact O-OG 3.06Å; L432-S435 CarbonylContact O-C 3.48Å; L432-S435 PolarHBondContact O-N 2.96Å; L432-S435 VanDerWaalsContact O-N 3.16Å; L432-S435 PolarHBondContact O-OG 3.25Å; C433-S435 PolarHBondContact O-N 2.82Å; S435-R478 PolarHBondContact O-NH1 2.96Å; S435-R478 PolarHBondContact OG-NH2 3.38Å
436L91.1Very high92.5Very high23 Ų2352.1 Ų52.112%0.1227%0.272CS..Hα-helixtrans-107.6-5.4176-70.2177.1000112.2L432 C433 N434 L438 L475 R478 I479L432-L436 HydrophobicContact CD1-CD1 3.98Å; L432-L436 HydrophobicContact CD1-CG 4.32Å; L432-L436 HydrophobicContact CD2-CD1 4.24Å; L432-L436 HydrophobicContact CG-CD1 3.75Å; L432-L436 HydrophobicContact CG-CG 4.37Å; L432-L436 WeakPolarHBondContact O-CB 3.37Å; L432-L436 WeakPolarHBondContact O-CG 3.14Å; L432-L436 PolarHBondContact O-N 2.89Å; C433-L436 CarbonylContact O-C 3.52Å; C433-L436 PolarHBondContact O-N 3.32Å; N434-L436 PolarHBondContact O-N 2.97Å; L436-L438 HydrophobicContact CB-CB 3.87Å; L436-L438 HydrophobicContact CD1-CD2 4.46Å; L436-L438 PolarHBondContact O-N 3.29Å; L436-L475 HydrophobicContact CB-CD2 4.11Å; L436-L475 HydrophobicContact CD1-CD2 4.36Å; L436-L475 HydrophobicContact CD2-CD2 3.99Å; L436-L475 HydrophobicContact CG-CD2 4.39Å; L436-R478 HydrophobicContact CD2-CB 4Å; L436-R478 HydrophobicContact CD2-CG 4.42Å; L436-I479 HydrophobicContact CD1-CD1 4.32Å; L436-I479 HydrophobicContact CD1-CG1 3.82Å
437N89.8Confident92.7Very high141 Ų14150.4 Ų50.475%0.75426%0.257SS*.THydrogen-bonded Turntrans46.542-166-160.226.1000112.4C433 N434C433-N437 PolarHBondContact O-N 3.19Å; N434-N437 PolarHBondContact O-N 3.41Å; N434-N437 VanDerWaalsContact O-N 3.14Å
438L90.8Very high92.9Very high9 Ų949.1 Ų49.15%0.04725%0.254CS..  trans-112125.7-174.5-172.365.1000109C433 L436 R442 Y470 L475 I479C433-L438 WeakPolarHBondContact CB-O 3.36Å; C433-L438 PolarHBondContact O-N 3.41Å; L436-L438 HydrophobicContact CB-CB 3.87Å; L436-L438 HydrophobicContact CD1-CD2 4.46Å; L436-L438 PolarHBondContact O-N 3.29Å; L438-R442 HydrophobicContact CD1-CB 3.64Å; L438-R442 HydrophobicContact CD1-CG 4.49Å; L438-R442 HydrophobicContact CG-CB 4.07Å; L438-Y470 HydrophobicContact CD1-CD2 4.41Å; L438-Y470 HydrophobicContact CD1-CE2 4.21Å; L438-L475 HydrophobicContact CD2-CD2 4.45Å; L438-I479 HydrophobicContact CD2-CD1 3.82Å
439S93.3Very high92.8Very high30 Ų3041.7 Ų41.721%0.2123%0.228CC..  trans-65.3149.2-179.866.60000111.8T441 R442 Y443S439-T441 VanDerWaalsContact C-N 3.33Å; S439-T441 PolarHBondContact O-N 3.09Å; S439-R442 PolarHBondContact O-N 2.98Å; S439-R442 WeakPolarHBondContact OG-CG 3.3Å; S439-Y443 PolarHBondContact O-N 3.39Å
440P93.6Very high92.6Very high0 Ų042 Ų420%023%0.23CC..Hα-helixtrans-52.3-46.7-179.4-28.735.6000113.2I416 L419 G421 F422 L425 R442 Y443 L444I416-P440 HydrophobicContact CB-CG 4.28Å; L419-P440 HydrophobicContact CB-CG 4.23Å; G421-P440 VanDerWaalsContact C-CB 3.42Å; F422-P440 HydrophobicContact CB-CG 3.96Å; F422-P440 HydrophobicContact CD2-CG 4.27Å; L425-P440 HydrophobicContact CD1-CB 3.74Å; L425-P440 HydrophobicContact CD1-CG 3.9Å; L425-P440 HydrophobicContact CD2-CB 4.44Å; L425-P440 HydrophobicContact CG-CB 4.1Å; P440-R442 PolarHBondContact O-N 3.45Å; P440-Y443 PolarHBondContact O-N 3.41Å; P440-L444 WeakPolarHBondContact O-CB 3.46Å; P440-L444 WeakPolarHBondContact O-CD1 3.31Å; P440-L444 VanDerWaalsContact O-CG 3.23Å; P440-L444 WeakPolarHBondContact O-CG 3.5Å; P440-L444 PolarHBondContact O-N 3.16Å
441T89.6Confident92.6Very high66 Ų6642.3 Ų42.341%0.40523%0.232SC..Hα-helixtrans-54.6-48.3175.6-31.20000112.1T420 S439 L444 T445T420-T441 PolarHBondContact O-N 3.05Å; T420-T441 PolarHBondContact O-OG1 2.77Å; S439-T441 VanDerWaalsContact C-N 3.33Å; S439-T441 PolarHBondContact O-N 3.09Å; T441-L444 PolarHBondContact O-N 3.44Å; T441-T445 PolarHBondContact O-N 3.19Å; T441-T445 PolarHBondContact O-OG1 3.18Å
442R93Very high92.4Very high128 Ų12843.9 Ų43.948%0.48323%0.233SC..Hα-helixtrans-64.2-44.6-179-72.9179.5-177.2-176.72.7111.2L438 S439 P440 L444 T445 V446 Y470L438-R442 HydrophobicContact CD1-CB 3.64Å; L438-R442 HydrophobicContact CD1-CG 4.49Å; L438-R442 HydrophobicContact CG-CB 4.07Å; S439-R442 PolarHBondContact O-N 2.98Å; S439-R442 WeakPolarHBondContact OG-CG 3.3Å; P440-R442 PolarHBondContact O-N 3.45Å; R442-L444 PolarHBondContact O-N 3.01Å; R442-T445 PolarHBondContact O-N 2.78Å; R442-V446 VanDerWaalsContact O-CG2 3.31Å; R442-V446 WeakPolarHBondContact O-CG2 3.42Å; R442-V446 PolarHBondContact O-N 3.39Å; R442-V446 VanDerWaalsContact O-N 3.13Å; R442-Y470 WeakPolarHBondContact CA-OH 3.41Å; R442-Y470 HydrophobicContact CB-CE2 3.93Å; R442-Y470 WeakPolarHBondContact CB-OH 3.35Å; R442-Y470 HydrophobicContact CG-CE1 4Å; R442-Y470 HydrophobicContact CG-CE2 4.18Å; R442-Y470 PolarHBondContact O-OH 3.34Å
443Y94.9Very high92.2Very high0 Ų044.6 Ų44.60%024%0.237CC..Hα-helixtrans-59.6-45.2174.9170-100.9000111.9L425 E429 L432 C433 S439 P440 V446 K447 I479 F482L425-Y443 HydrophobicContact CD2-CD1 3.53Å; L425-Y443 HydrophobicContact CD2-CE1 3.91Å; E429-Y443 HydrophobicContact CB-CE1 3.98Å; E429-Y443 HydrophobicContact CG-CE1 3.93Å; E429-Y443 WeakPolarHBondContact CG-OH 3.29Å; E429-Y443 VanDerWaalsContact OE1-CE1 3.26Å; E429-Y443 WeakPolarHBondContact OE1-CE1 3.4Å; E429-Y443 PolarHBondContact OE1-OH 3.33Å; L432-Y443 HydrophobicContact CD2-CD2 4.24Å; L432-Y443 HydrophobicContact CD2-CE2 3.63Å; C433-Y443 WeakPolarHBondContact SG-CB 3.38Å; S439-Y443 PolarHBondContact O-N 3.39Å; P440-Y443 PolarHBondContact O-N 3.41Å; Y443-V446 PolarHBondContact O-N 2.85Å; Y443-K447 HydrophobicContact CE1-CB 4.37Å; Y443-K447 HydrophobicContact CE1-CD 3.89Å; Y443-K447 WeakPolarHBondContact O-CB 3.17Å; Y443-K447 PolarHBondContact O-N 3.49Å; Y443-I479 HydrophobicContact CD2-CD1 4.43Å; Y443-I479 HydrophobicContact CD2-CG1 4.42Å; Y443-I479 HydrophobicContact CE2-CG2 4.11Å; Y443-F482 WeakPolarHBondContact OH-CE1 3.37Å
444L94.1Very high91.9Very high31 Ų3145.8 Ų45.816%0.16224%0.242CC..Hα-helixtrans-62.9-45179.5-70.3164.8000112.1L424 L425 P440 T441 R442 V446 K447 T448L424-L444 HydrophobicContact CB-CD1 3.86Å; L424-L444 HydrophobicContact CB-CD2 4.41Å; L424-L444 HydrophobicContact CD1-CD1 3.98Å; L424-L444 HydrophobicContact CG-CD1 4.44Å; L425-L444 HydrophobicContact CD2-CD1 4.32Å; L425-L444 HydrophobicContact CD2-CD2 3.95Å; L425-L444 HydrophobicContact CD2-CG 3.96Å; P440-L444 WeakPolarHBondContact O-CB 3.46Å; P440-L444 WeakPolarHBondContact O-CD1 3.31Å; P440-L444 VanDerWaalsContact O-CG 3.23Å; P440-L444 WeakPolarHBondContact O-CG 3.5Å; P440-L444 PolarHBondContact O-N 3.16Å; T441-L444 PolarHBondContact O-N 3.44Å; R442-L444 PolarHBondContact O-N 3.01Å; L444-V446 VanDerWaalsContact C-N 3.28Å; L444-V446 PolarHBondContact O-N 3.1Å; L444-K447 PolarHBondContact O-N 2.91Å; L444-T448 WeakPolarHBondContact O-CB 3.1Å; L444-T448 PolarHBondContact O-N 2.81Å; L444-T448 PolarHBondContact O-OG1 2.89Å
445T92.3Very high91.7Very high63 Ų6346.9 Ų46.939%0.38725%0.247SC..Hα-helixtrans-54.1-46.9173.1-53.20000111.1T441 R442 T448 I449 P468T441-T445 PolarHBondContact O-N 3.19Å; T441-T445 PolarHBondContact O-OG1 3.18Å; R442-T445 PolarHBondContact O-N 2.78Å; T445-T448 PolarHBondContact O-N 3.3Å; T445-I449 HydrophobicContact CG2-CD1 4Å; T445-I449 VanDerWaalsContact O-CG1 3.32Å; T445-I449 WeakPolarHBondContact O-CG1 3.05Å; T445-I449 PolarHBondContact O-N 2.73Å; T445-P468 HydrophobicContact CG2-CG 4.27Å
446V92.9Very high91.4Very high0 Ų046.4 Ų46.40%024%0.239CC..Hα-helixtrans-66.8-45.8-179.7171.90000112.2R442 Y443 L444 T448 I449 I450 P468 Y470 L471 I479R442-V446 VanDerWaalsContact O-CG2 3.31Å; R442-V446 WeakPolarHBondContact O-CG2 3.42Å; R442-V446 PolarHBondContact O-N 3.39Å; R442-V446 VanDerWaalsContact O-N 3.13Å; Y443-V446 PolarHBondContact O-N 2.85Å; L444-V446 VanDerWaalsContact C-N 3.28Å; L444-V446 PolarHBondContact O-N 3.1Å; V446-T448 VanDerWaalsContact C-N 3.32Å; V446-T448 PolarHBondContact O-N 2.85Å; V446-I449 PolarHBondContact O-N 3.47Å; V446-I450 HydrophobicContact CG1-CD1 3.62Å; V446-I450 HydrophobicContact CG1-CG1 4.3Å; V446-I450 WeakPolarHBondContact O-CB 3.2Å; V446-I450 WeakPolarHBondContact O-CG1 3.21Å; V446-I450 PolarHBondContact O-N 2.85Å; V446-P468 HydrophobicContact CG2-CG 4.32Å; V446-Y470 HydrophobicContact CG2-CE2 4.05Å; V446-L471 HydrophobicContact CB-CD1 4.17Å; V446-L471 HydrophobicContact CG1-CD1 3.67Å; V446-L471 HydrophobicContact CG2-CD1 3.37Å; V446-L471 HydrophobicContact CG2-CG 4.14Å; V446-I479 HydrophobicContact CG1-CD1 3.87Å; V446-I479 HydrophobicContact CG1-CG2 4.06Å
447K93.8Very high91.2Very high22 Ų2251.4 Ų51.410%0.09626%0.26CS..Hα-helixtrans-55.9-48.2175.7175.6179.1179.7-177.20110.5E429 Y443 L444 I450 I451 L483E429-K447 WeakPolarHBondContact OE1-CD 3.38Å; E429-K447 WeakPolarHBondContact OE1-CE 3.46Å; E429-K447 IonicContact OE1-NZ 2.74Å; E429-K447 PolarHBondContact OE1-NZ 3.01Å; E429-K447 IonicContact OE2-NZ 3.7Å; Y443-K447 HydrophobicContact CE1-CB 4.37Å; Y443-K447 HydrophobicContact CE1-CD 3.89Å; Y443-K447 WeakPolarHBondContact O-CB 3.17Å; Y443-K447 PolarHBondContact O-N 3.49Å; L444-K447 PolarHBondContact O-N 2.91Å; K447-I450 PolarHBondContact O-N 2.8Å; K447-I451 HydrophobicContact CD-CD1 4.43Å; K447-I451 HydrophobicContact CG-CD1 3.64Å; K447-I451 HydrophobicContact CG-CG1 4.48Å; K447-I451 WeakPolarHBondContact O-CB 3.46Å; K447-I451 VanDerWaalsContact O-CG1 3.29Å; K447-I451 WeakPolarHBondContact O-CG1 3.26Å; K447-I451 PolarHBondContact O-N 3.03Å; K447-L483 HydrophobicContact CD-CD2 4.36Å; K447-L483 HydrophobicContact CG-CD2 4.04Å
448T93.2Very high90.9Very high90 Ų9053.6 Ų53.655%0.55226%0.258SS*.Hα-helixtrans-60.6-46.8178.5-63.40000111.9L444 T445 V446 K452L444-T448 WeakPolarHBondContact O-CB 3.1Å; L444-T448 PolarHBondContact O-N 2.81Å; L444-T448 PolarHBondContact O-OG1 2.89Å; T445-T448 PolarHBondContact O-N 3.3Å; V446-T448 VanDerWaalsContact C-N 3.32Å; V446-T448 PolarHBondContact O-N 2.85Å; T448-K452 WeakPolarHBondContact O-CB 3.49Å; T448-K452 PolarHBondContact O-N 3.1Å
449I91.9Very high90.7Very high30 Ų3059.8 Ų59.815%0.15429%0.286CS..Hα-helixtrans-62.1-48.5177.5-66.8164.8000111.2T445 V446 I451 K452 D453 L467 P468T445-I449 HydrophobicContact CG2-CD1 4Å; T445-I449 VanDerWaalsContact O-CG1 3.32Å; T445-I449 WeakPolarHBondContact O-CG1 3.05Å; T445-I449 PolarHBondContact O-N 2.73Å; V446-I449 PolarHBondContact O-N 3.47Å; I449-I451 PolarHBondContact O-N 3.07Å; I449-K452 PolarHBondContact O-N 2.8Å; I449-D453 WeakPolarHBondContact O-CB 3.45Å; I449-D453 PolarHBondContact O-N 3.14Å; I449-L467 HydrophobicContact CB-CD2 4.34Å; I449-L467 HydrophobicContact CG2-CD2 3.7Å; I449-L467 HydrophobicContact CG2-CG 4.49Å; I449-P468 HydrophobicContact CD1-CG 4.18Å
450I91Very high90.2Very high13 Ų1361.6 Ų61.67%0.06731%0.31CS..Hα-helixtrans-62.7-43.2-178.4-69.6173.8000111.5V446 K447 H454 L467 I479 L480 L483 I489V446-I450 HydrophobicContact CG1-CD1 3.62Å; V446-I450 HydrophobicContact CG1-CG1 4.3Å; V446-I450 WeakPolarHBondContact O-CB 3.2Å; V446-I450 WeakPolarHBondContact O-CG1 3.21Å; V446-I450 PolarHBondContact O-N 2.85Å; K447-I450 PolarHBondContact O-N 2.8Å; I450-H454 WeakPolarHBondContact O-CB 3.28Å; I450-H454 PolarHBondContact O-N 3.28Å; I450-L467 HydrophobicContact CG1-CD2 4.36Å; I450-I479 HydrophobicContact CD1-CG2 4Å; I450-L480 HydrophobicContact CG2-CD1 3.73Å; I450-L483 HydrophobicContact CB-CD1 4.21Å; I450-L483 HydrophobicContact CD1-CD1 4.41Å; I450-L483 HydrophobicContact CG2-CD1 3.82Å; I450-I489 HydrophobicContact CG2-CD1 4.27Å
451I92.3Very high89.7Confident32 Ų3265.3 Ų65.316%0.16433%0.329CS..Hα-helixtrans-68.9-43.6178.8-67.3173.2000110.6K447 I449 D453 H454 L455 W488 I489K447-I451 HydrophobicContact CD-CD1 4.43Å; K447-I451 HydrophobicContact CG-CD1 3.64Å; K447-I451 HydrophobicContact CG-CG1 4.48Å; K447-I451 WeakPolarHBondContact O-CB 3.46Å; K447-I451 VanDerWaalsContact O-CG1 3.29Å; K447-I451 WeakPolarHBondContact O-CG1 3.26Å; K447-I451 PolarHBondContact O-N 3.03Å; I449-I451 PolarHBondContact O-N 3.07Å; I451-D453 PolarHBondContact O-N 3.49Å; I451-H454 PolarHBondContact O-N 2.98Å; I451-L455 HydrophobicContact CG2-CD1 3.91Å; I451-L455 HydrophobicContact CG2-CG 4.35Å; I451-L455 WeakPolarHBondContact O-CB 3.39Å; I451-L455 WeakPolarHBondContact O-CG 3.45Å; I451-L455 PolarHBondContact O-N 2.98Å; I451-W488 HydrophobicContact CD1-CB 4.21Å; I451-W488 HydrophobicContact CD1-CD2 4.23Å; I451-W488 HydrophobicContact CD1-CE3 3.9Å; I451-W488 HydrophobicContact CD1-CG 4.38Å; I451-I489 HydrophobicContact CG1-CG2 4.44Å
452K90.1Very high89.1Confident108 Ų10867.1 Ų67.147%0.4734%0.342SS..Hα-helixtrans-58-48.4176.1-175.9174.5-178.2172.90111.4T448 I449 H454 L455 Q456T448-K452 WeakPolarHBondContact O-CB 3.49Å; T448-K452 PolarHBondContact O-N 3.1Å; I449-K452 PolarHBondContact O-N 2.8Å; K452-H454 PolarHBondContact O-N 2.88Å; K452-L455 PolarHBondContact O-N 3.28Å; K452-Q456 WeakPolarHBondContact O-CB 3.46Å; K452-Q456 WeakPolarHBondContact O-CG 3.38Å; K452-Q456 PolarHBondContact O-N 2.76Å
453D89.3Confident88.4Confident30 Ų3062.5 Ų62.516%0.1633%0.331CS..Hα-helixtrans-62.7-40.9177-78.5-3.2000112.3I449 I451 Q456 K457 A463 S465I449-D453 WeakPolarHBondContact O-CB 3.45Å; I449-D453 PolarHBondContact O-N 3.14Å; I451-D453 PolarHBondContact O-N 3.49Å; D453-Q456 PolarHBondContact O-N 3Å; D453-K457 WeakPolarHBondContact O-CB 3.47Å; D453-K457 WeakPolarHBondContact O-CG 3.22Å; D453-K457 PolarHBondContact O-N 3.2Å; D453-A463 HydrophobicContact CB-CB 3.87Å; D453-S465 WeakPolarHBondContact OD1-CB 3.18Å; D453-S465 PolarHBondContact OD1-OG 3.38Å
454H88.4Confident87.4Confident24 Ų2471.5 Ų71.511%0.11137%0.37CS..Hα-helixtrans-65.4-41.3177.6-173.278.8000111.7I450 I451 K452 R458 I489 S490I450-H454 WeakPolarHBondContact O-CB 3.28Å; I450-H454 PolarHBondContact O-N 3.28Å; I451-H454 PolarHBondContact O-N 2.98Å; K452-H454 PolarHBondContact O-N 2.88Å; H454-R458 WeakPolarHBondContact O-CG 3.5Å; H454-R458 PolarHBondContact O-N 3.29Å; H454-R458 VanDerWaalsContact O-N 3.09Å; H454-I489 HydrophobicContact CB-CG2 3.84Å; H454-S490 PolarHBondContact CE1-N 3.27Å; H454-S490 PolarHBondContact CE1-O 3.12Å; H454-S490 PolarHBondContact NE2-N 3.42Å; H454-S490 VanDerWaalsContact NE2-N 3.15Å
455L87.8Confident86.9Confident86 Ų8672.1 Ų72.145%0.4538%0.377SS..Hα-helixtrans-65.8-44.5175.6-70.5172.2000112I451 K452 K457 R458 Q459I451-L455 HydrophobicContact CG2-CD1 3.91Å; I451-L455 HydrophobicContact CG2-CG 4.35Å; I451-L455 WeakPolarHBondContact O-CB 3.39Å; I451-L455 WeakPolarHBondContact O-CG 3.45Å; I451-L455 PolarHBondContact O-N 2.98Å; K452-L455 PolarHBondContact O-N 3.28Å; L455-K457 PolarHBondContact O-N 2.97Å; L455-R458 PolarHBondContact O-N 3.14Å; L455-Q459 WeakPolarHBondContact O-CG 3.33Å; L455-Q459 PolarHBondContact O-N 2.78Å
456Q87.1Confident86.5Confident48 Ų4880 Ų8022%0.22440%0.399CS..Hα-helixtrans-59.2-46.2175.7-76.5-179.7-12.100111.7K452 D453 R458 Q459 G460 I461K452-Q456 WeakPolarHBondContact O-CB 3.46Å; K452-Q456 WeakPolarHBondContact O-CG 3.38Å; K452-Q456 PolarHBondContact O-N 2.76Å; D453-Q456 PolarHBondContact O-N 3Å; Q456-R458 VanDerWaalsContact C-N 3.34Å; Q456-R458 PolarHBondContact O-N 2.78Å; Q456-Q459 CarbonylContact O-C 3.58Å; Q456-Q459 WeakPolarHBondContact O-CA 3.5Å; Q456-Q459 WeakPolarHBondContact O-CB 3.45Å; Q456-Q459 PolarHBondContact O-N 3.26Å; Q456-G460 PolarHBondContact O-N 2.8Å; Q456-I461 CarbonylContact C-O 3.49Å; Q456-I461 HydrophobicContact CB-CB 4.12Å; Q456-I461 HydrophobicContact CB-CG2 4.37Å; Q456-I461 HydrophobicContact CG-CG2 4.47Å; Q456-I461 WeakPolarHBondContact O-CB 3.23Å; Q456-I461 PolarHBondContact O-N 3.22Å
457K86.1Confident86Confident128 Ų12882.2 Ų82.256%0.55741%0.411SS*.Hα-helixtrans-58.4-42.7175.1-77.3-178173.9-163.70112.8D453 L455 Q459 G460 A463D453-K457 WeakPolarHBondContact O-CB 3.47Å; D453-K457 WeakPolarHBondContact O-CG 3.22Å; D453-K457 PolarHBondContact O-N 3.2Å; L455-K457 PolarHBondContact O-N 2.97Å; K457-Q459 PolarHBondContact O-N 2.66Å; K457-G460 PolarHBondContact O-N 3.45Å; K457-A463 HydrophobicContact CG-CB 4.18Å
458R83.6Confident85.6Confident188 Ų18882.5 Ų82.571%0.70942%0.415SS*.Hα-helixtrans-64.2-20175.7-73.6-172.469.6-169.30.6113.7H454 L455 Q456H454-R458 WeakPolarHBondContact O-CG 3.5Å; H454-R458 PolarHBondContact O-N 3.29Å; H454-R458 VanDerWaalsContact O-N 3.09Å; L455-R458 PolarHBondContact O-N 3.14Å; Q456-R458 VanDerWaalsContact C-N 3.34Å; Q456-R458 PolarHBondContact O-N 2.78Å
459Q86.1Confident85.1Confident139 Ų13982.4 Ų82.465%0.6543%0.432SS*.THydrogen-bonded Turntrans-93.94.3174.6-65.9171.8-3.400112.9L455 Q456 K457 I461L455-Q459 WeakPolarHBondContact O-CG 3.33Å; L455-Q459 PolarHBondContact O-N 2.78Å; Q456-Q459 CarbonylContact O-C 3.58Å; Q456-Q459 WeakPolarHBondContact O-CA 3.5Å; Q456-Q459 WeakPolarHBondContact O-CB 3.45Å; Q456-Q459 PolarHBondContact O-N 3.26Å; K457-Q459 PolarHBondContact O-N 2.66Å; Q459-I461 HydrophobicContact CB-CD1 4.08Å; Q459-I461 HydrophobicContact CB-CG1 4.14Å; Q459-I461 PolarHBondContact O-N 2.95Å
460G83.3Confident84.8Confident68 Ų6884.8 Ų84.870%0.70144%0.439SS*.THydrogen-bonded Turntrans74.59.1-175.400000114.3Q456 K457Q456-G460 PolarHBondContact O-N 2.8Å; K457-G460 PolarHBondContact O-N 3.45Å
461I83.6Confident84.6Confident78 Ų7885.3 Ų85.340%0.444%0.442SS..  trans-86.5128.5-179-59172.8000109.2Q456 Q459 A463Q456-I461 CarbonylContact C-O 3.49Å; Q456-I461 HydrophobicContact CB-CB 4.12Å; Q456-I461 HydrophobicContact CB-CG2 4.37Å; Q456-I461 HydrophobicContact CG-CG2 4.47Å; Q456-I461 WeakPolarHBondContact O-CB 3.23Å; Q456-I461 PolarHBondContact O-N 3.22Å; Q459-I461 HydrophobicContact CB-CD1 4.08Å; Q459-I461 HydrophobicContact CB-CG1 4.14Å; Q459-I461 PolarHBondContact O-N 2.95Å; I461-A463 PolarHBondContact O-N 3.11Å
462P77.3Confident84.4Confident104 Ų10487.9 Ų87.968%0.67546%0.456SS*.  trans-64.1106.4175.5-22.533.9000112.1K464P462-K464 PolarHBondContact O-N 2.99Å
463A76.8Confident84.3Confident31 Ų3191.7 Ų91.726%0.25647%0.473SS..  trans-64.8123.617300000110.9D453 K457 I461D453-A463 HydrophobicContact CB-CB 3.87Å; K457-A463 HydrophobicContact CG-CB 4.18Å; I461-A463 PolarHBondContact O-N 3.11Å
464K75.6Confident84.4Confident188 Ų18895 Ų9582%0.81749%0.494SS*.  trans-121.39-179.3-69.7-174.3-179.41790113.8P462 R466P462-K464 PolarHBondContact O-N 2.99Å; K464-R466 PolarHBondContact O-N 2.79Å
465S82.9Confident84.5Confident44 Ų4495.4 Ų95.431%0.30850%0.497SS..PPolyproline II helixtrans-62.6129.3-174.8-50.30000111.6D453D453-S465 WeakPolarHBondContact OD1-CB 3.18Å; D453-S465 PolarHBondContact OD1-OG 3.38Å
466R84.6Confident84.7Confident229 Ų22995.6 Ų95.686%0.86449%0.494SS*.PPolyproline II helixtrans-81.1122.6174-177178.7-73.2-140.31.6108.9K464K464-R466 PolarHBondContact O-N 2.79Å
467L81.9Confident84.9Confident47 Ų47100.6 Ų100.625%0.24652%0.515CS..PPolyproline II helixtrans-71146.3172.9-73.3166.4000110.9I449 I450 L471 K476I449-L467 HydrophobicContact CB-CD2 4.34Å; I449-L467 HydrophobicContact CG2-CD2 3.7Å; I449-L467 HydrophobicContact CG2-CG 4.49Å; I450-L467 HydrophobicContact CG1-CD2 4.36Å; L467-L471 HydrophobicContact CB-CD1 4.29Å; L467-L471 HydrophobicContact CD2-CD1 3.99Å; L467-K476 HydrophobicContact CD1-CD 3.86Å; L467-K476 VanDerWaalsContact CD1-CE 3.43Å
468P85.9Confident85.4Confident28 Ų2899.7 Ų99.718%0.18251%0.508CS..PPolyproline II helixtrans-58.4145.8178.4-26.134.3000114T445 V446 I449 Y470 L471T445-P468 HydrophobicContact CG2-CG 4.27Å; V446-P468 HydrophobicContact CG2-CG 4.32Å; I449-P468 HydrophobicContact CD1-CG 4.18Å; P468-Y470 VanDerWaalsContact C-N 3.29Å; P468-Y470 HydrophobicContact CB-CD1 3.76Å; P468-Y470 HydrophobicContact CB-CD2 4.49Å; P468-Y470 HydrophobicContact CB-CE1 3.29Å; P468-Y470 HydrophobicContact CB-CE2 4.08Å; P468-Y470 HydrophobicContact CB-CG 4.34Å; P468-Y470 VanDerWaalsContact CB-CZ 3.46Å; P468-Y470 HydrophobicContact CG-CE1 4.06Å; P468-Y470 PolarHBondContact O-N 3.37Å; P468-L471 WeakPolarHBondContact O-CB 3.24Å; P468-L471 PolarHBondContact O-N 3.43Å
469G81.3Confident85.9Confident88 Ų8890.8 Ų90.891%0.90747%0.474SS*.THydrogen-bonded Turntrans-67.3-20.8-174.700000115.7L471G469-L471 PolarHBondContact O-N 3.05Å
470Y85.1Confident86.2Confident79 Ų7987.6 Ų87.631%0.3146%0.462SS..THydrogen-bonded Turntrans-74.40.4175.959.3-106.3000113.8L438 R442 V446 P468L438-Y470 HydrophobicContact CD1-CD2 4.41Å; L438-Y470 HydrophobicContact CD1-CE2 4.21Å; R442-Y470 WeakPolarHBondContact CA-OH 3.41Å; R442-Y470 HydrophobicContact CB-CE2 3.93Å; R442-Y470 WeakPolarHBondContact CB-OH 3.35Å; R442-Y470 HydrophobicContact CG-CE1 4Å; R442-Y470 HydrophobicContact CG-CE2 4.18Å; R442-Y470 PolarHBondContact O-OH 3.34Å; V446-Y470 HydrophobicContact CG2-CE2 4.05Å; P468-Y470 VanDerWaalsContact C-N 3.29Å; P468-Y470 HydrophobicContact CB-CD1 3.76Å; P468-Y470 HydrophobicContact CB-CD2 4.49Å; P468-Y470 HydrophobicContact CB-CE1 3.29Å; P468-Y470 HydrophobicContact CB-CE2 4.08Å; P468-Y470 HydrophobicContact CB-CG 4.34Å; P468-Y470 VanDerWaalsContact CB-CZ 3.46Å; P468-Y470 HydrophobicContact CG-CE1 4.06Å; P468-Y470 PolarHBondContact O-N 3.37Å
471L88.1Confident86.8Confident24 Ų2487.2 Ų87.213%0.12645%0.446CS..  trans-105.988-163.3-150.9-175.9000110.6V446 L467 P468 G469 L475 K476V446-L471 HydrophobicContact CB-CD1 4.17Å; V446-L471 HydrophobicContact CG1-CD1 3.67Å; V446-L471 HydrophobicContact CG2-CD1 3.37Å; V446-L471 HydrophobicContact CG2-CG 4.14Å; L467-L471 HydrophobicContact CB-CD1 4.29Å; L467-L471 HydrophobicContact CD2-CD1 3.99Å; P468-L471 WeakPolarHBondContact O-CB 3.24Å; P468-L471 PolarHBondContact O-N 3.43Å; G469-L471 PolarHBondContact O-N 3.05Å; L471-L475 HydrophobicContact CD2-CB 4.07Å; L471-K476 VanDerWaalsContact CD2-CA 3.46Å; L471-K476 HydrophobicContact CD2-CB 3.49Å; L471-K476 VanDerWaalsContact CD2-CB 3.49Å; L471-K476 HydrophobicContact CD2-CG 4.18Å; L471-K476 VanDerWaalsContact CD2-N 3.33Å
472D87.8Confident87.4Confident86 Ų8684.8 Ų84.846%0.4643%0.432SS..  trans-69.1173.7179.37732.3000113.4V474 L475 K476D472-V474 PolarHBondContact O-N 2.91Å; D472-V474 VanDerWaalsContact OD1-CA 3.29Å; D472-V474 WeakPolarHBondContact OD1-CA 3.23Å; D472-V474 WeakPolarHBondContact OD1-CB 3.47Å; D472-V474 PolarHBondContact OD1-N 2.93Å; D472-L475 PolarHBondContact OD1-N 2.9Å; D472-K476 VanDerWaalsContact O-CB 3.28Å; D472-K476 WeakPolarHBondContact O-CB 3.44Å; D472-K476 PolarHBondContact O-N 2.91Å
473K87.8Confident88.2Confident189 Ų18979.9 Ų79.982%0.82240%0.4SS*.Hα-helixtrans-63.5-26.7-179.2-65.4-177.8-178.4176.60113.4K477K473-K477 WeakPolarHBondContact O-CB 3.39Å; K473-K477 PolarHBondContact O-N 2.97Å
474V90.8Very high89Confident99 Ų9979.9 Ų79.960%0.640%0.397SS*.Hα-helixtrans-82.2-50.8-177.3-176.70000110.3D472 K476 K477 R478D472-V474 PolarHBondContact O-N 2.91Å; D472-V474 VanDerWaalsContact OD1-CA 3.29Å; D472-V474 WeakPolarHBondContact OD1-CA 3.23Å; D472-V474 WeakPolarHBondContact OD1-CB 3.47Å; D472-V474 PolarHBondContact OD1-N 2.93Å; V474-K476 VanDerWaalsContact C-N 3.31Å; V474-K476 PolarHBondContact O-N 3.45Å; V474-K477 PolarHBondContact O-N 2.77Å; V474-K477 VanDerWaalsContact O-N 3.16Å; V474-R478 PolarHBondContact O-N 2.97Å
475L91.1Very high89.8Confident32 Ų3277.6 Ų77.617%0.16839%0.389CS..Hα-helixtrans-52.3-49.1170.2-83.7156.7000110.6L436 L438 L471 D472 K477 R478 I479L436-L475 HydrophobicContact CB-CD2 4.11Å; L436-L475 HydrophobicContact CD1-CD2 4.36Å; L436-L475 HydrophobicContact CD2-CD2 3.99Å; L436-L475 HydrophobicContact CG-CD2 4.39Å; L438-L475 HydrophobicContact CD2-CD2 4.45Å; L471-L475 HydrophobicContact CD2-CB 4.07Å; D472-L475 PolarHBondContact OD1-N 2.9Å; L475-K477 VanDerWaalsContact C-N 3.34Å; L475-K477 PolarHBondContact O-N 2.88Å; L475-R478 PolarHBondContact O-N 3.31Å; L475-I479 WeakPolarHBondContact O-CG1 3.27Å; L475-I479 PolarHBondContact O-N 3.38Å
476K91.4Very high90.1Very high91 Ų9177.4 Ų77.440%0.39639%0.388SS..Hα-helixtrans-56.1-48176.8-168.2173.9177.1173.30112L467 L471 D472 V474 L480L467-K476 HydrophobicContact CD1-CD 3.86Å; L467-K476 VanDerWaalsContact CD1-CE 3.43Å; L471-K476 VanDerWaalsContact CD2-CA 3.46Å; L471-K476 HydrophobicContact CD2-CB 3.49Å; L471-K476 VanDerWaalsContact CD2-CB 3.49Å; L471-K476 HydrophobicContact CD2-CG 4.18Å; L471-K476 VanDerWaalsContact CD2-N 3.33Å; D472-K476 VanDerWaalsContact O-CB 3.28Å; D472-K476 WeakPolarHBondContact O-CB 3.44Å; D472-K476 PolarHBondContact O-N 2.91Å; V474-K476 VanDerWaalsContact C-N 3.31Å; V474-K476 PolarHBondContact O-N 3.45Å; K476-L480 VanDerWaalsContact O-CB 3.28Å; K476-L480 WeakPolarHBondContact O-CB 3.5Å; K476-L480 PolarHBondContact O-N 3.23Å
477K92.9Very high90.3Very high152 Ų15269.4 Ų69.466%0.66138%0.377SS*.Hα-helixtrans-65.5-45.7-178.2-172.2176.7179-1780111.3K473 V474 L475 L480 T481K473-K477 WeakPolarHBondContact O-CB 3.39Å; K473-K477 PolarHBondContact O-N 2.97Å; V474-K477 PolarHBondContact O-N 2.77Å; V474-K477 VanDerWaalsContact O-N 3.16Å; L475-K477 VanDerWaalsContact C-N 3.34Å; L475-K477 PolarHBondContact O-N 2.88Å; K477-L480 PolarHBondContact O-N 3.03Å; K477-T481 WeakPolarHBondContact O-CB 3.5Å; K477-T481 PolarHBondContact O-N 3.02Å; K477-T481 PolarHBondContact O-OG1 3.49Å; K477-T481 VanDerWaalsContact O-OG1 3.12Å
478R95.4Very high90.6Very high109 Ų10973.7 Ų73.741%0.41139%0.39SS..Hα-helixtrans-61.4-44.6178.9-72.2-173.167.5-163.9-10.8112S435 L436 V474 L475 F482S435-R478 PolarHBondContact O-NH1 2.96Å; S435-R478 PolarHBondContact OG-NH2 3.38Å; L436-R478 HydrophobicContact CD2-CB 4Å; L436-R478 HydrophobicContact CD2-CG 4.42Å; V474-R478 PolarHBondContact O-N 2.97Å; L475-R478 PolarHBondContact O-N 3.31Å; R478-F482 WeakPolarHBondContact O-CB 3.49Å; R478-F482 PolarHBondContact O-N 3.3Å
479I94.5Very high90.8Very high1 Ų173 Ų731%0.00539%0.385CS..Hα-helixtrans-66.2-43.7177.7-64.4167.4000111.1L436 L438 Y443 V446 I450 L475 T481 F482 L483L436-I479 HydrophobicContact CD1-CD1 4.32Å; L436-I479 HydrophobicContact CD1-CG1 3.82Å; L438-I479 HydrophobicContact CD2-CD1 3.82Å; Y443-I479 HydrophobicContact CD2-CD1 4.43Å; Y443-I479 HydrophobicContact CD2-CG1 4.42Å; Y443-I479 HydrophobicContact CE2-CG2 4.11Å; V446-I479 HydrophobicContact CG1-CD1 3.87Å; V446-I479 HydrophobicContact CG1-CG2 4.06Å; I450-I479 HydrophobicContact CD1-CG2 4Å; L475-I479 WeakPolarHBondContact O-CG1 3.27Å; L475-I479 PolarHBondContact O-N 3.38Å; I479-T481 PolarHBondContact O-N 3Å; I479-F482 PolarHBondContact O-N 2.84Å; I479-L483 HydrophobicContact CG2-CD1 3.95Å; I479-L483 HydrophobicContact CG2-CG 4.35Å; I479-L483 WeakPolarHBondContact O-CG 3.38Å; I479-L483 PolarHBondContact O-N 3.41Å
480L92.8Very high91Very high73 Ų7371.7 Ų71.738%0.38236%0.362SS..Hα-helixtrans-63.7-42.5178.7-164.776.6000112I450 K476 K477 L483 T484 I489I450-L480 HydrophobicContact CG2-CD1 3.73Å; K476-L480 VanDerWaalsContact O-CB 3.28Å; K476-L480 WeakPolarHBondContact O-CB 3.5Å; K476-L480 PolarHBondContact O-N 3.23Å; K477-L480 PolarHBondContact O-N 3.03Å; L480-L483 PolarHBondContact O-N 2.91Å; L480-T484 WeakPolarHBondContact O-CB 3.31Å; L480-T484 PolarHBondContact O-N 3.3Å; L480-T484 PolarHBondContact O-OG1 2.97Å; L480-I489 HydrophobicContact CD1-CD1 3.45Å; L480-I489 VanDerWaalsContact CD1-CD1 3.45Å; L480-I489 HydrophobicContact CG-CD1 4Å
481T94.5Very high90.4Very high59 Ų5977 Ų7736%0.36238%0.381SS..Hα-helixtrans-59-50.1173.1-67.10000111K477 I479 L483 T484 E485K477-T481 WeakPolarHBondContact O-CB 3.5Å; K477-T481 PolarHBondContact O-N 3.02Å; K477-T481 PolarHBondContact O-OG1 3.49Å; K477-T481 VanDerWaalsContact O-OG1 3.12Å; I479-T481 PolarHBondContact O-N 3Å; T481-L483 PolarHBondContact O-N 3.3Å; T481-T484 WeakPolarHBondContact O-CB 3.4Å; T481-T484 PolarHBondContact O-N 2.94Å; T481-T484 VanDerWaalsContact O-N 3.12Å; T481-E485 HydrophobicContact CG2-CG 4.33Å; T481-E485 VanDerWaalsContact CG2-OE1 3.26Å; T481-E485 WeakPolarHBondContact CG2-OE1 3.34Å; T481-E485 WeakPolarHBondContact O-CG 3.24Å; T481-E485 PolarHBondContact O-N 3.17Å
482F96.1Very high88.9Confident28 Ų2883 Ų8312%0.12341%0.413CS..Hα-helixtrans-58.4-44.5178.7174.8-91.7000113R428 E429 L432 Y443 R478 I479 T484 E485 S486R428-F482 HydrophobicContact CB-CE2 4.12Å; R428-F482 HydrophobicContact CB-CZ 4.03Å; E429-F482 HydrophobicContact CG-CE1 3.61Å; E429-F482 HydrophobicContact CG-CZ 3.62Å; L432-F482 HydrophobicContact CB-CD2 4.49Å; L432-F482 HydrophobicContact CB-CE2 4.42Å; L432-F482 HydrophobicContact CD1-CB 4.29Å; L432-F482 HydrophobicContact CD1-CD2 4.2Å; L432-F482 HydrophobicContact CD1-CG 4.32Å; L432-F482 HydrophobicContact CD2-CB 3.92Å; L432-F482 HydrophobicContact CD2-CD1 3.64Å; L432-F482 HydrophobicContact CD2-CD2 3.98Å; L432-F482 HydrophobicContact CD2-CE1 4.13Å; L432-F482 HydrophobicContact CD2-CE2 4.41Å; L432-F482 HydrophobicContact CD2-CG 3.56Å; L432-F482 HydrophobicContact CD2-CZ 4.49Å; L432-F482 HydrophobicContact CG-CD2 4.45Å; L432-F482 HydrophobicContact CG-CG 4.44Å; Y443-F482 WeakPolarHBondContact OH-CE1 3.37Å; R478-F482 WeakPolarHBondContact O-CB 3.49Å; R478-F482 PolarHBondContact O-N 3.3Å; I479-F482 PolarHBondContact O-N 2.84Å; F482-T484 VanDerWaalsContact C-N 3.28Å; F482-T484 PolarHBondContact O-N 2.93Å; F482-E485 PolarHBondContact O-N 3.31Å; F482-S486 WeakPolarHBondContact O-CB 3.31Å; F482-S486 PolarHBondContact O-N 2.81Å; F482-S486 PolarHBondContact O-OG 2.96Å
483L94.8Very high87.1Confident0 Ų080.9 Ų80.90%041%0.408CS..Hα-helixtrans-66.1-32.6178.1-69.4174.4000112K447 I450 I479 L480 T481 G487 W488 I489K447-L483 HydrophobicContact CD-CD2 4.36Å; K447-L483 HydrophobicContact CG-CD2 4.04Å; I450-L483 HydrophobicContact CB-CD1 4.21Å; I450-L483 HydrophobicContact CD1-CD1 4.41Å; I450-L483 HydrophobicContact CG2-CD1 3.82Å; I479-L483 HydrophobicContact CG2-CD1 3.95Å; I479-L483 HydrophobicContact CG2-CG 4.35Å; I479-L483 WeakPolarHBondContact O-CG 3.38Å; I479-L483 PolarHBondContact O-N 3.41Å; L480-L483 PolarHBondContact O-N 2.91Å; T481-L483 PolarHBondContact O-N 3.3Å; L483-G487 PolarHBondContact O-N 3.06Å; L483-W488 HydrophobicContact CB-CB 4.28Å; L483-W488 HydrophobicContact CD2-CB 4.08Å; L483-W488 HydrophobicContact CD2-CG 4.03Å; L483-W488 WeakPolarHBondContact O-CB 3.2Å; L483-W488 PolarHBondContact O-N 3.43Å; L483-I489 HydrophobicContact CB-CD1 3.95Å; L483-I489 HydrophobicContact CB-CG1 4.01Å; L483-I489 PolarHBondContact O-N 3.46Å
484T93.4Very high84.6Confident32 Ų3280.9 Ų80.920%0.19643%0.432CS..Hα-helixtrans-69.5-49.2174.7-52.50000111.2L480 T481 F482 S486 G487 R491L480-T484 WeakPolarHBondContact O-CB 3.31Å; L480-T484 PolarHBondContact O-N 3.3Å; L480-T484 PolarHBondContact O-OG1 2.97Å; T481-T484 WeakPolarHBondContact O-CB 3.4Å; T481-T484 PolarHBondContact O-N 2.94Å; T481-T484 VanDerWaalsContact O-N 3.12Å; F482-T484 VanDerWaalsContact C-N 3.28Å; F482-T484 PolarHBondContact O-N 2.93Å; T484-S486 VanDerWaalsContact C-N 3.29Å; T484-S486 PolarHBondContact O-N 2.73Å; T484-G487 PolarHBondContact O-N 3.18Å; T484-G487 VanDerWaalsContact O-N 3.08Å; T484-R491 HydrophobicContact CG2-CG 3.46Å; T484-R491 VanDerWaalsContact CG2-CG 3.46Å
485E92.5Very high84.3Confident139 Ų13980 Ų8065%0.6542%0.423SS*.Hα-helixtrans-67.4-30.4179.8-71.1171.6176.600112.5T481 F482 G487T481-E485 HydrophobicContact CG2-CG 4.33Å; T481-E485 VanDerWaalsContact CG2-OE1 3.26Å; T481-E485 WeakPolarHBondContact CG2-OE1 3.34Å; T481-E485 WeakPolarHBondContact O-CG 3.24Å; T481-E485 PolarHBondContact O-N 3.17Å; F482-E485 PolarHBondContact O-N 3.31Å; E485-G487 VanDerWaalsContact C-N 3.27Å; E485-G487 PolarHBondContact O-N 3.17Å
486S89.9Confident84Confident40 Ų4082.5 Ų82.528%0.2844%0.437SS..THydrogen-bonded Turntrans-82.20173.4-59.10000113.7F482 T484 W488F482-S486 WeakPolarHBondContact O-CB 3.31Å; F482-S486 PolarHBondContact O-N 2.81Å; F482-S486 PolarHBondContact O-OG 2.96Å; T484-S486 VanDerWaalsContact C-N 3.29Å; T484-S486 PolarHBondContact O-N 2.73Å; S486-W488 PolarHBondContact O-N 2.59Å
487G88.9Confident83.6Confident62 Ų6282 Ų8264%0.63944%0.439SS*.THydrogen-bonded Turntrans76.510.3175.100000116.3L483 T484 E485L483-G487 PolarHBondContact O-N 3.06Å; T484-G487 PolarHBondContact O-N 3.18Å; T484-G487 VanDerWaalsContact O-N 3.08Å; E485-G487 VanDerWaalsContact C-N 3.27Å; E485-G487 PolarHBondContact O-N 3.17Å
488W87Confident83Confident137 Ų13777.9 Ų77.952%0.51943%0.426SS..SBendtrans-73.2-26.6177.2-69.299.5000113.1I451 L483 S486I451-W488 HydrophobicContact CD1-CB 4.21Å; I451-W488 HydrophobicContact CD1-CD2 4.23Å; I451-W488 HydrophobicContact CD1-CE3 3.9Å; I451-W488 HydrophobicContact CD1-CG 4.38Å; L483-W488 HydrophobicContact CB-CB 4.28Å; L483-W488 HydrophobicContact CD2-CB 4.08Å; L483-W488 HydrophobicContact CD2-CG 4.03Å; L483-W488 WeakPolarHBondContact O-CB 3.2Å; L483-W488 PolarHBondContact O-N 3.43Å; S486-W488 PolarHBondContact O-N 2.59Å
489I90.7Very high82.2Confident14 Ų1475.9 Ų75.97%0.07243%0.427CS..SBendtrans-137.7147.1178.560.9178.4000110.5I450 I451 H454 L480 L483I450-I489 HydrophobicContact CG2-CD1 4.27Å; I451-I489 HydrophobicContact CG1-CG2 4.44Å; H454-I489 HydrophobicContact CB-CG2 3.84Å; L480-I489 HydrophobicContact CD1-CD1 3.45Å; L480-I489 VanDerWaalsContact CD1-CD1 3.45Å; L480-I489 HydrophobicContact CG-CD1 4Å; L483-I489 HydrophobicContact CB-CD1 3.95Å; L483-I489 HydrophobicContact CB-CG1 4.01Å; L483-I489 PolarHBondContact O-N 3.46Å
490S84.7Confident81.4Confident60 Ų6080.9 Ų80.942%0.4246%0.455SS..  trans-83.7151176.2-173.30000111.9H454 D492H454-S490 PolarHBondContact CE1-N 3.27Å; H454-S490 PolarHBondContact CE1-O 3.12Å; H454-S490 PolarHBondContact NE2-N 3.42Å; H454-S490 VanDerWaalsContact NE2-N 3.15Å; S490-D492 VanDerWaalsContact C-N 3.27Å; S490-D492 PolarHBondContact OG-N 3.08Å
491R73.1Confident80.6Confident189 Ų18981.5 Ų81.571%0.71346%0.46SS*.SBendtrans-65.8-30.9169-75.4-173.8170.2179.1-2.2112.4T484 A493T484-R491 HydrophobicContact CG2-CG 3.46Å; T484-R491 VanDerWaalsContact CG2-CG 3.46Å; R491-A493 PolarHBondContact O-N 2.85Å; R491-A493 VanDerWaalsContact O-N 3.14Å
492D56.8Low79.5Confident150 Ų15083.2 Ų83.280%0.80247%0.468SS*.  trans-95.961.4-166.1-53.3-37.5000112S490S490-D492 VanDerWaalsContact C-N 3.27Å; S490-D492 PolarHBondContact OG-N 3.08Å
493A49.9Very low78.2Confident43 Ų4387.8 Ų87.836%0.35550%0.497SS..  trans-13758.5171.100000110.3R491R491-A493 PolarHBondContact O-N 2.85Å; R491-A493 VanDerWaalsContact O-N 3.14Å
494S36.4Very low76.7Confident188 Ų18895.8 Ų95.8100%1.31554%0.542SS*.  trans-87.70168.8-58.30000110.1

Retrieved 494 of 494 residues in 126.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).