A0A3Q0KHF0_SCHMA Loading...

B41 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KHF0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,142 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
1M39.6Very low60Low207 Ų20797.1 Ų97.1100%1.0255%0.553SS**  0107.90-79.2-179.4167.200106.5V8M1-V8 HydrophobicContact CB-CG2 4.24Å
2L43.8Very low62.3Low127 Ų12790.4 Ų90.467%0.66551%0.513SS*.  trans-87.9103.9177.6-82.6152.2000107.5
3A43Very low64.3Low71 Ų7188 Ų8859%0.58750%0.497SS*.BIsolated β-bridgetrans-111.7119.5159.400000105.4G5A3-G5 VanDerWaalsContact C-N 3.33Å; A3-G5 PolarHBondContact O-N 3.25Å
4D52.7Low66Low172 Ų17281.7 Ų81.792%0.9246%0.461SS*.THydrogen-bonded Turntrans64.915.1173.3-57.3-18.3000118.8
5G56.7Low67.5Low35 Ų3579 Ų7936%0.36145%0.45SS..THydrogen-bonded Turntrans88.82.617500000114.6A3A3-G5 VanDerWaalsContact C-N 3.33Å; A3-G5 PolarHBondContact O-N 3.25Å
6E55.8Low68.9Low127 Ų12774.1 Ų74.159%0.59342%0.422SS*.BIsolated β-bridgetrans-96.3133170.5-64-178.4168.300109.4
7Y65.2Low69.9Low84 Ų8471.8 Ų71.833%0.32941%0.407SS..  trans-74.4156.6168.8-71.1-95.9000109D9 G10 S11 L13Y7-D9 WeakPolarHBondContact CB-OD1 3.36Å; Y7-D9 PolarHBondContact O-N 3.37Å; Y7-G10 PolarHBondContact O-N 3.4Å; Y7-S11 WeakPolarHBondContact CB-O 3.39Å; Y7-S11 WeakPolarHBondContact CD2-O 3.42Å; Y7-S11 PolarHBondContact N-O 3.31Å; Y7-L13 HydrophobicContact CE2-CD1 4.23Å; Y7-L13 HydrophobicContact CE2-CG 4.1Å; Y7-L13 WeakPolarHBondContact OH-CD1 3.48Å
8V63.8Low70.7Confident132 Ų13267.8 Ų67.880%0.838%0.384SS*.THydrogen-bonded Turntrans-56.6-18.7-176.5-179.30000113.2M1M1-V8 HydrophobicContact CB-CG2 4.24Å
9D75.8Confident71Confident71 Ų7165.7 Ų65.738%0.3837%0.372SS..THydrogen-bonded Turntrans-94.48.5176.763.4-10.3000114.5Y7 S11 R28 Y30Y7-D9 WeakPolarHBondContact CB-OD1 3.36Å; Y7-D9 PolarHBondContact O-N 3.37Å; D9-S11 VanDerWaalsContact CG-OG 3.25Å; D9-S11 PolarHBondContact O-N 3.45Å; D9-S11 WeakPolarHBondContact OD1-CB 3.32Å; D9-S11 PolarHBondContact OD1-N 3.48Å; D9-S11 PolarHBondContact OD1-OG 3.43Å; D9-S11 PolarHBondContact OD2-OG 3.31Å; D9-R28 IonicContact OD1-NH2 2.98Å; D9-R28 PolarHBondContact OD1-NH2 3.35Å; D9-R28 IonicContact OD2-CZ 3.83Å; D9-R28 IonicContact OD2-NH2 2.69Å; D9-R28 PolarHBondContact OD2-NH2 2.77Å; D9-Y30 PolarHBondContact OD2-OH 3.42Å
10G78Confident71.1Confident42 Ų4266.7 Ų66.743%0.43338%0.376SS..SBendtrans72.86.4-177.900000114.3Y7Y7-G10 PolarHBondContact O-N 3.4Å
11S85.7Confident71.3Confident0 Ų066.2 Ų66.20%037%0.372CS..  trans-81156.7171.668.40000111Y7 D9 R28 V29Y7-S11 WeakPolarHBondContact CB-O 3.39Å; Y7-S11 WeakPolarHBondContact CD2-O 3.42Å; Y7-S11 PolarHBondContact N-O 3.31Å; D9-S11 VanDerWaalsContact CG-OG 3.25Å; D9-S11 PolarHBondContact O-N 3.45Å; D9-S11 WeakPolarHBondContact OD1-CB 3.32Å; D9-S11 PolarHBondContact OD1-N 3.48Å; D9-S11 PolarHBondContact OD1-OG 3.43Å; D9-S11 PolarHBondContact OD2-OG 3.31Å; S11-R28 VanDerWaalsContact OG-CZ 3.27Å; S11-R28 PolarHBondContact OG-NE 3.26Å; S11-R28 PolarHBondContact OG-NH2 3.47Å; S11-V29 WeakPolarHBondContact CA-O 3.36Å; S11-V29 WeakPolarHBondContact CB-O 3.26Å
12W88.2Confident73.2Confident17 Ų1762 Ų626%0.06435%0.354CS..EExtended strand (participates in β ladder)trans-146.4161.8177.248.9-89.5000110.3L14 V29 L96 Q97 A98W12-L14 HydrophobicContact CE3-CB 4.12Å; W12-L14 HydrophobicContact CH2-CB 4.44Å; W12-L14 HydrophobicContact CH2-CD1 4.02Å; W12-L14 HydrophobicContact CZ3-CB 3.63Å; W12-L14 HydrophobicContact CZ3-CD1 3.59Å; W12-L14 HydrophobicContact CZ3-CD2 4.49Å; W12-L14 HydrophobicContact CZ3-CG 4.08Å; W12-V29 HydrophobicContact CD2-CG2 3.74Å; W12-V29 HydrophobicContact CE3-CG2 3.64Å; W12-V29 HydrophobicContact CH2-CG2 3.95Å; W12-V29 HydrophobicContact CZ2-CG2 3.97Å; W12-V29 HydrophobicContact CZ3-CG2 3.79Å; W12-V29 PolarHBondContact N-O 2.82Å; W12-V29 WeakPolarHBondContact O-CG2 3.23Å; W12-V29 PolarHBondContact O-N 3.44Å; W12-L96 HydrophobicContact CH2-CB 4.18Å; W12-L96 WeakPolarHBondContact CZ2-O 3.46Å; W12-Q97 VanDerWaalsContact CH2-O 3.31Å; W12-Q97 WeakPolarHBondContact CH2-O 3.47Å; W12-Q97 WeakPolarHBondContact CZ3-O 3.29Å; W12-A98 HydrophobicContact CB-CB 3.89Å; W12-A98 HydrophobicContact CD2-CB 4.17Å; W12-A98 HydrophobicContact CE3-CB 3.85Å; W12-A98 HydrophobicContact CG-CB 4.24Å
13L87.7Confident75Confident59 Ų5959.2 Ų59.231%0.30934%0.339SS..EExtended strand (participates in β ladder)trans-91.4126.6-179.5-72.3167.6000109.8Y7 R28Y7-L13 HydrophobicContact CE2-CD1 4.23Å; Y7-L13 HydrophobicContact CE2-CG 4.1Å; Y7-L13 WeakPolarHBondContact OH-CD1 3.48Å; L13-R28 HydrophobicContact CD2-CB 4.1Å
14L88.6Confident77Confident0 Ų061.6 Ų61.60%034%0.342CS..EExtended strand (participates in β ladder)trans-109119.6175.9179.965.4000109.3W12 I16 E26 I27 V29 L38 A100 L102W12-L14 HydrophobicContact CE3-CB 4.12Å; W12-L14 HydrophobicContact CH2-CB 4.44Å; W12-L14 HydrophobicContact CH2-CD1 4.02Å; W12-L14 HydrophobicContact CZ3-CB 3.63Å; W12-L14 HydrophobicContact CZ3-CD1 3.59Å; W12-L14 HydrophobicContact CZ3-CD2 4.49Å; W12-L14 HydrophobicContact CZ3-CG 4.08Å; L14-I16 HydrophobicContact CD2-CD1 4.01Å; L14-I16 HydrophobicContact CD2-CG1 4.28Å; L14-I16 HydrophobicContact CG-CD1 4.29Å; L14-I16 HydrophobicContact CG-CG1 4.03Å; L14-E26 WeakPolarHBondContact O-CA 3.39Å; L14-I27 PolarHBondContact N-O 3.45Å; L14-I27 PolarHBondContact O-N 2.79Å; L14-V29 HydrophobicContact CB-CG1 4.17Å; L14-V29 HydrophobicContact CB-CG2 3.76Å; L14-V29 HydrophobicContact CD2-CG1 4.29Å; L14-V29 HydrophobicContact CD2-CG2 4.39Å; L14-L38 HydrophobicContact CD2-CD1 4.17Å; L14-L38 HydrophobicContact CD2-CD2 3.76Å; L14-A100 HydrophobicContact CD1-CB 4.23Å; L14-A100 WeakPolarHBondContact CD1-O 3.47Å; L14-L102 HydrophobicContact CD1-CD1 4.08Å; L14-L102 HydrophobicContact CD1-CG 4.23Å; L14-L102 HydrophobicContact CD2-CD1 3.9Å; L14-L102 HydrophobicContact CG-CD1 4.35Å
15S88.3Confident78.6Confident41 Ų4156.8 Ų56.829%0.28731%0.311SS..EExtended strand (participates in β ladder)trans-88.1120.9176.9-49.90000110.7L102S15-L102 PolarHBondContact O-N 3.23Å; S15-L102 VanDerWaalsContact O-N 3.12Å
16I89.1Confident80.1Confident1 Ų161.6 Ų61.61%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-123.4121179.4-48.7179.5000109.4L14 R25 I27 L38 L42 L75 L102 F104L14-I16 HydrophobicContact CD2-CD1 4.01Å; L14-I16 HydrophobicContact CD2-CG1 4.28Å; L14-I16 HydrophobicContact CG-CD1 4.29Å; L14-I16 HydrophobicContact CG-CG1 4.03Å; I16-R25 PolarHBondContact N-O 3.05Å; I16-R25 PolarHBondContact O-N 3.17Å; I16-I27 HydrophobicContact CD1-CD1 4.28Å; I16-L38 HydrophobicContact CD1-CD1 3.9Å; I16-L38 HydrophobicContact CD1-CD2 3.95Å; I16-L38 HydrophobicContact CD1-CG 4.07Å; I16-L42 HydrophobicContact CB-CD1 4.07Å; I16-L42 HydrophobicContact CD1-CD1 3.84Å; I16-L42 HydrophobicContact CG2-CD1 3.6Å; I16-L75 HydrophobicContact CD1-CD2 4.44Å; I16-L75 HydrophobicContact CG2-CD2 3.93Å; I16-L102 WeakPolarHBondContact CA-O 3.4Å; I16-L102 HydrophobicContact CG1-CB 4.19Å; I16-L102 HydrophobicContact CG2-CB 4.22Å; I16-F104 HydrophobicContact CG2-CB 4.17Å
17H86.6Confident81.7Confident35 Ų3556.4 Ų56.416%0.16230%0.3CS..EExtended strand (participates in β ladder)trans-92130.5176.2-175.566.8000110.6D19 N22 D24 L102 R103 F104H17-D19 IonicContact CD2-OD1 3.05Å; H17-D19 PolarHBondContact CD2-OD1 2.8Å; H17-D19 IonicContact CG-OD1 2.78Å; H17-D19 IonicContact NE2-OD1 3.86Å; H17-N22 PolarHBondContact CE1-OD1 2.87Å; H17-D24 VanDerWaalsContact CB-OD1 3.23Å; H17-D24 WeakPolarHBondContact CB-OD1 3.1Å; H17-D24 IonicContact CE1-OD1 3.47Å; H17-D24 IonicContact CG-OD1 3.94Å; H17-D24 VanDerWaalsContact CG-OD1 3.26Å; H17-D24 IonicContact ND1-OD1 2.59Å; H17-D24 PolarHBondContact ND1-OD1 2.92Å; H17-L102 PolarHBondContact N-O 3.43Å; H17-R103 HydrophobicContact CB-CG 4.29Å; H17-R103 CarbonylContact O-C 3.51Å; H17-R103 VanDerWaalsContact O-CA 3.23Å; H17-R103 WeakPolarHBondContact O-CA 3.19Å; H17-F104 PolarHBondContact O-N 3.4Å
18I84.6Confident82.8Confident0 Ų057.8 Ų57.80%031%0.305CS..EExtended strand (participates in β ladder)trans-103.3101.4176.1-54.8174000107.9D20 L21 N22 I23 R25 L42 L46 F104I18-D20 PolarHBondContact O-N 3.09Å; I18-L21 HydrophobicContact CG2-CB 4.12Å; I18-L21 HydrophobicContact CG2-CD1 4.2Å; I18-L21 HydrophobicContact CG2-CG 4.13Å; I18-L21 PolarHBondContact O-N 2.92Å; I18-N22 WeakPolarHBondContact O-CA 3.37Å; I18-N22 PolarHBondContact O-N 3.4Å; I18-I23 PolarHBondContact N-O 3.44Å; I18-I23 PolarHBondContact O-N 3.09Å; I18-R25 HydrophobicContact CD1-CG 4.4Å; I18-L42 HydrophobicContact CD1-CD2 3.71Å; I18-L42 HydrophobicContact CD1-CG 4.33Å; I18-L42 HydrophobicContact CG1-CD2 4.27Å; I18-L46 HydrophobicContact CD1-CD1 3.49Å; I18-L46 VanDerWaalsContact CD1-CD1 3.49Å; I18-F104 HydrophobicContact CG1-CB 4.17Å; I18-F104 HydrophobicContact CG1-CD1 4.39Å; I18-F104 HydrophobicContact CG2-CD1 4.34Å
19D76.2Confident84Confident27 Ų2751.5 Ų51.514%0.14427%0.266CS..THydrogen-bonded Turntrans-63.1-38.1-171.1-67.437000112.2H17 L21 N22 R103 L105H17-D19 IonicContact CD2-OD1 3.05Å; H17-D19 PolarHBondContact CD2-OD1 2.8Å; H17-D19 IonicContact CG-OD1 2.78Å; H17-D19 IonicContact NE2-OD1 3.86Å; D19-L21 VanDerWaalsContact C-N 3.3Å; D19-L21 PolarHBondContact O-N 3.36Å; D19-N22 PolarHBondContact O-N 2.79Å; D19-R103 WeakPolarHBondContact OD1-CD 3.43Å; D19-R103 IonicContact OD1-NH1 3.64Å; D19-R103 IonicContact OD2-CZ 3.48Å; D19-R103 IonicContact OD2-NH1 3.7Å; D19-R103 PolarHBondContact OD2-NH1 2.87Å; D19-L105 HydrophobicContact CB-CD2 3.52Å; D19-L105 WeakPolarHBondContact OD1-CD2 3.34Å; D19-L105 WeakPolarHBondContact OD2-CD2 3.48Å
20D73.7Confident84.7Confident86 Ų8652.6 Ų52.646%0.4627%0.266SS..THydrogen-bonded Turntrans-68.6-27.1-177.7-74.4-13.6000113.8I18 Y73I18-D20 PolarHBondContact O-N 3.09Å; D20-Y73 WeakPolarHBondContact OD2-CE1 3.44Å; D20-Y73 PolarHBondContact OD2-OH 3.49Å
21L74.6Confident85.1Confident56 Ų5651 Ų5129%0.29325%0.25SC..THydrogen-bonded Turntrans-100.1-11.5175.3-61.4177.3000111.9I18 D19 I23 L46 W70I18-L21 HydrophobicContact CG2-CB 4.12Å; I18-L21 HydrophobicContact CG2-CD1 4.2Å; I18-L21 HydrophobicContact CG2-CG 4.13Å; I18-L21 PolarHBondContact O-N 2.92Å; D19-L21 VanDerWaalsContact C-N 3.3Å; D19-L21 PolarHBondContact O-N 3.36Å; L21-I23 HydrophobicContact CB-CB 4.36Å; L21-I23 HydrophobicContact CB-CD1 3.74Å; L21-I23 HydrophobicContact CB-CG1 3.85Å; L21-I23 HydrophobicContact CD1-CD1 4.22Å; L21-I23 WeakPolarHBondContact O-CG1 3.3Å; L21-I23 PolarHBondContact O-N 3.37Å; L21-L46 HydrophobicContact CD1-CD1 4.37Å; L21-L46 HydrophobicContact CD1-CD2 3.74Å; L21-W70 HydrophobicContact CD1-CH2 4.4Å
22N78.7Confident85.2Confident118 Ų11859 Ų5963%0.63129%0.287SS*.THydrogen-bonded Turntrans51.240.9-169.7-160.138.1000112.7H17 I18 D19H17-N22 PolarHBondContact CE1-OD1 2.87Å; I18-N22 WeakPolarHBondContact O-CA 3.37Å; I18-N22 PolarHBondContact O-N 3.4Å; D19-N22 PolarHBondContact O-N 2.79Å
23I83.3Confident85.3Confident69 Ų6961.4 Ų61.435%0.35430%0.296SS..EExtended strand (participates in β ladder)trans-113129.9-177.9-61.3172.8000109.9I18 L21 R25I18-I23 PolarHBondContact N-O 3.44Å; I18-I23 PolarHBondContact O-N 3.09Å; L21-I23 HydrophobicContact CB-CB 4.36Å; L21-I23 HydrophobicContact CB-CD1 3.74Å; L21-I23 HydrophobicContact CB-CG1 3.85Å; L21-I23 HydrophobicContact CD1-CD1 4.22Å; L21-I23 WeakPolarHBondContact O-CG1 3.3Å; L21-I23 PolarHBondContact O-N 3.37Å; I23-R25 HydrophobicContact CG2-CG 4.04Å
24D84.9Confident85.5Confident122 Ų12259.6 Ų59.665%0.65229%0.288SS*.EExtended strand (participates in β ladder)trans-87.3124.5165-72.8-35.1000110.3H17H17-D24 VanDerWaalsContact CB-OD1 3.23Å; H17-D24 WeakPolarHBondContact CB-OD1 3.1Å; H17-D24 IonicContact CE1-OD1 3.47Å; H17-D24 IonicContact CG-OD1 3.94Å; H17-D24 VanDerWaalsContact CG-OD1 3.26Å; H17-D24 IonicContact ND1-OD1 2.59Å; H17-D24 PolarHBondContact ND1-OD1 2.92Å
25R86.4Confident85.6Confident71 Ų7159.6 Ų59.627%0.26829%0.288SS..EExtended strand (participates in β ladder)trans-114.8129.6172.4-71.4-165.8168.5-148.3-10.7110.2I16 I18 I23 L42 D44I16-R25 PolarHBondContact N-O 3.05Å; I16-R25 PolarHBondContact O-N 3.17Å; I18-R25 HydrophobicContact CD1-CG 4.4Å; I23-R25 HydrophobicContact CG2-CG 4.04Å; R25-L42 PolarHBondContact NH1-O 3.43Å; R25-D44 PolarHBondContact NH1-O 3.13Å; R25-D44 VanDerWaalsContact NH1-O 3.1Å
26E87.6Confident85.6Confident135 Ų13561.7 Ų61.763%0.63130%0.296SS*.EExtended strand (participates in β ladder)trans-102.1119.6170.3-62.4-173.4163.700109L14L14-E26 WeakPolarHBondContact O-CA 3.39Å
27I88.1Confident85.6Confident18 Ų1866.4 Ų66.49%0.09232%0.318CS..EExtended strand (participates in β ladder)trans-113.9132.5-179.1-56.2178000108.2L14 I16 V29 W33 L38 Q41 L42L14-I27 PolarHBondContact N-O 3.45Å; L14-I27 PolarHBondContact O-N 2.79Å; I16-I27 HydrophobicContact CD1-CD1 4.28Å; I27-V29 HydrophobicContact CB-CG1 4.26Å; I27-V29 HydrophobicContact CG2-CG1 3.89Å; I27-V29 PolarHBondContact O-N 3.46Å; I27-W33 HydrophobicContact CG2-CZ3 4.24Å; I27-L38 HydrophobicContact CD1-CD1 4.18Å; I27-L38 HydrophobicContact CG2-CD1 4.38Å; I27-Q41 HydrophobicContact CG2-CG 4.13Å; I27-L42 HydrophobicContact CD1-CB 3.83Å; I27-L42 HydrophobicContact CD1-CG 4.32Å
28R89Confident85.7Confident114 Ų11464.8 Ų64.843%0.4331%0.311SS..EExtended strand (participates in β ladder)trans-77.6115.4171.5-171.1176.8-172.2-169.6-1.4108.8D9 S11 L13D9-R28 IonicContact OD1-NH2 2.98Å; D9-R28 PolarHBondContact OD1-NH2 3.35Å; D9-R28 IonicContact OD2-CZ 3.83Å; D9-R28 IonicContact OD2-NH2 2.69Å; D9-R28 PolarHBondContact OD2-NH2 2.77Å; S11-R28 VanDerWaalsContact OG-CZ 3.27Å; S11-R28 PolarHBondContact OG-NE 3.26Å; S11-R28 PolarHBondContact OG-NH2 3.47Å; L13-R28 HydrophobicContact CD2-CB 4.1Å
29V90.1Very high85.9Confident0 Ų066.1 Ų66.10%032%0.318CS..EExtended strand (participates in β ladder)trans-121.6156.4-172.8-62.20000111.3S11 W12 L14 I27 W33 L38 L91S11-V29 WeakPolarHBondContact CA-O 3.36Å; S11-V29 WeakPolarHBondContact CB-O 3.26Å; W12-V29 HydrophobicContact CD2-CG2 3.74Å; W12-V29 HydrophobicContact CE3-CG2 3.64Å; W12-V29 HydrophobicContact CH2-CG2 3.95Å; W12-V29 HydrophobicContact CZ2-CG2 3.97Å; W12-V29 HydrophobicContact CZ3-CG2 3.79Å; W12-V29 PolarHBondContact N-O 2.82Å; W12-V29 WeakPolarHBondContact O-CG2 3.23Å; W12-V29 PolarHBondContact O-N 3.44Å; L14-V29 HydrophobicContact CB-CG1 4.17Å; L14-V29 HydrophobicContact CB-CG2 3.76Å; L14-V29 HydrophobicContact CD2-CG1 4.29Å; L14-V29 HydrophobicContact CD2-CG2 4.39Å; I27-V29 HydrophobicContact CB-CG1 4.26Å; I27-V29 HydrophobicContact CG2-CG1 3.89Å; I27-V29 PolarHBondContact O-N 3.46Å; V29-W33 HydrophobicContact CB-CE3 4.23Å; V29-W33 HydrophobicContact CG1-CE3 3.95Å; V29-W33 HydrophobicContact CG1-CZ3 4.12Å; V29-L38 HydrophobicContact CG1-CD1 3.68Å; V29-L91 HydrophobicContact CB-CD1 3.91Å; V29-L91 HydrophobicContact CG1-CD1 4.29Å; V29-L91 HydrophobicContact CG2-CD1 4.01Å
30Y89.8Confident86.4Confident93 Ų9368.9 Ų68.937%0.36534%0.336SS..  trans-107.4147.7167.6-61.5-91.9000108.9D9 E32 W33D9-Y30 PolarHBondContact OD2-OH 3.42Å; Y30-E32 PolarHBondContact O-N 3.45Å; Y30-E32 VanDerWaalsContact O-N 3.1Å; Y30-W33 AromaticContact CD2-CE2 3.78Å; Y30-W33 HydrophobicContact CD2-CZ2 4.11Å; Y30-W33 AromaticContact CD2-NE1 3.4Å; Y30-W33 HydrophobicContact CE2-CZ2 4.45Å; Y30-W33 WeakPolarHBondContact O-CB 3.33Å; Y30-W33 PolarHBondContact O-N 2.83Å
31G86.9Confident87Confident9 Ų969.4 Ų69.49%0.09334%0.335CS..THydrogen-bonded Turntrans-60.2-22.5179.600000114.7N92G31-N92 VanDerWaalsContact C-CG 3.43Å; G31-N92 VanDerWaalsContact CA-CG 3.47Å; G31-N92 WeakPolarHBondContact CA-OD1 3.45Å; G31-N92 WeakPolarHBondContact O-CB 3.19Å; G31-N92 PolarHBondContact O-N 2.82Å; G31-N92 PolarHBondContact O-ND2 3.29Å; G31-N92 PolarHBondContact O-OD1 2.83Å
32E88.2Confident87.5Confident168 Ų16866.7 Ų66.779%0.78532%0.321SS*.THydrogen-bonded Turntrans-80.5-15.5177.9-60.2-171.2160.700113.9Y30 S34 S90Y30-E32 PolarHBondContact O-N 3.45Å; Y30-E32 VanDerWaalsContact O-N 3.1Å; E32-S34 PolarHBondContact O-N 3.48Å; E32-S90 WeakPolarHBondContact O-CB 3.41Å
33W90.1Very high87.7Confident67 Ų6763 Ų6325%0.25430%0.301SS..  trans-59.2137.6-179.3-81.517000111.6I27 V29 Y30 Q41 S90 L91I27-W33 HydrophobicContact CG2-CZ3 4.24Å; V29-W33 HydrophobicContact CB-CE3 4.23Å; V29-W33 HydrophobicContact CG1-CE3 3.95Å; V29-W33 HydrophobicContact CG1-CZ3 4.12Å; Y30-W33 AromaticContact CD2-CE2 3.78Å; Y30-W33 HydrophobicContact CD2-CZ2 4.11Å; Y30-W33 AromaticContact CD2-NE1 3.4Å; Y30-W33 HydrophobicContact CE2-CZ2 4.45Å; Y30-W33 WeakPolarHBondContact O-CB 3.33Å; Y30-W33 PolarHBondContact O-N 2.83Å; W33-Q41 HydrophobicContact CH2-CG 4.48Å; W33-Q41 HydrophobicContact CZ3-CB 4.42Å; W33-Q41 HydrophobicContact CZ3-CG 4.37Å; W33-S90 CarbonylContact O-C 3.43Å; W33-S90 WeakPolarHBondContact O-CA 3.39Å; W33-L91 HydrophobicContact CB-CD1 4.25Å; W33-L91 PolarHBondContact O-N 3.37Å
34S91.8Very high87.7Confident21 Ų2165 Ų6515%0.14731%0.312CS..BIsolated β-bridgetrans-76.6153.7171.865.50000111.2E32 N36 E37 L38E32-S34 PolarHBondContact O-N 3.48Å; S34-N36 PolarHBondContact O-N 3.47Å; S34-E37 PolarHBondContact N-OE2 3.12Å; S34-E37 PolarHBondContact O-N 3.28Å; S34-E37 VanDerWaalsContact OG-CG 3.23Å; S34-E37 WeakPolarHBondContact OG-CG 3.47Å; S34-E37 PolarHBondContact OG-N 3.1Å; S34-E37 PolarHBondContact OG-OE2 3.48Å; S34-L38 PolarHBondContact O-N 3.06Å
35I89.9Confident86.9Confident0 Ų062.6 Ų62.60%032%0.317CS..Hα-helixtrans-57-36.3172.9-73.9165.6000111.3L38 I39 L75 L84 K86 T87 S89 Y94I35-L38 PolarHBondContact O-N 3.26Å; I35-I39 HydrophobicContact CG2-CD1 3.59Å; I35-I39 HydrophobicContact CG2-CG1 4.17Å; I35-I39 WeakPolarHBondContact O-CB 3.48Å; I35-I39 VanDerWaalsContact O-CG1 3.31Å; I35-I39 WeakPolarHBondContact O-CG1 3.48Å; I35-I39 PolarHBondContact O-N 3.39Å; I35-L75 HydrophobicContact CG2-CD1 4.11Å; I35-L84 HydrophobicContact CD1-CB 3.78Å; I35-K86 WeakPolarHBondContact CD1-O 3.4Å; I35-T87 PolarHBondContact N-O 3.48Å; I35-S89 PolarHBondContact N-O 3.25Å; I35-S89 VanDerWaalsContact N-O 3.15Å; I35-Y94 HydrophobicContact CD1-CD2 3.84Å; I35-Y94 HydrophobicContact CD1-CE2 3.15Å; I35-Y94 HydrophobicContact CG1-CE2 4.28Å
36N88.8Confident86.4Confident85 Ų8560.6 Ų60.646%0.45531%0.311SS..Hα-helixtrans-63.1-42.3178.5-168.875000112.6S34 I39 T40 T87S34-N36 PolarHBondContact O-N 3.47Å; N36-I39 PolarHBondContact O-N 3.17Å; N36-T40 WeakPolarHBondContact O-CB 3.41Å; N36-T40 PolarHBondContact O-N 3.44Å; N36-T40 PolarHBondContact O-OG1 3.06Å; N36-T87 WeakPolarHBondContact CB-O 3.48Å; N36-T87 PolarHBondContact N-O 3.48Å
37E88.6Confident85.4Confident101 Ų10159.9 Ų59.947%0.47232%0.316SS..Hα-helixtrans-64.9-43.1175-73158.7162.400110.9S34 I39 T40 Q41S34-E37 PolarHBondContact N-OE2 3.12Å; S34-E37 PolarHBondContact O-N 3.28Å; S34-E37 VanDerWaalsContact OG-CG 3.23Å; S34-E37 WeakPolarHBondContact OG-CG 3.47Å; S34-E37 PolarHBondContact OG-N 3.1Å; S34-E37 PolarHBondContact OG-OE2 3.48Å; E37-I39 PolarHBondContact O-N 3.29Å; E37-T40 PolarHBondContact O-N 3.5Å; E37-Q41 WeakPolarHBondContact O-CB 3.42Å; E37-Q41 PolarHBondContact O-N 3.12Å
38L88.9Confident84.2Confident0 Ų060.7 Ų60.70%032%0.323CS..Hα-helixtrans-58.3-46.6175.2-179.864000112.2L14 I16 I27 V29 S34 I35 Q41 L42 L75 L91L14-L38 HydrophobicContact CD2-CD1 4.17Å; L14-L38 HydrophobicContact CD2-CD2 3.76Å; I16-L38 HydrophobicContact CD1-CD1 3.9Å; I16-L38 HydrophobicContact CD1-CD2 3.95Å; I16-L38 HydrophobicContact CD1-CG 4.07Å; I27-L38 HydrophobicContact CD1-CD1 4.18Å; I27-L38 HydrophobicContact CG2-CD1 4.38Å; V29-L38 HydrophobicContact CG1-CD1 3.68Å; S34-L38 PolarHBondContact O-N 3.06Å; I35-L38 PolarHBondContact O-N 3.26Å; L38-Q41 PolarHBondContact O-N 3.18Å; L38-L42 WeakPolarHBondContact O-CB 3.26Å; L38-L42 PolarHBondContact O-N 3.07Å; L38-L75 HydrophobicContact CD2-CD1 3.77Å; L38-L75 HydrophobicContact CG-CD1 4.44Å; L38-L91 HydrophobicContact CD2-CD2 3.89Å
39I88.3Confident82.8Confident28 Ų2857 Ų5714%0.14431%0.314CS..Hα-helixtrans-64.9-41.6178.6-70.8170.7000110.7I35 N36 E37 Q41 L42 I43 L75 F104I35-I39 HydrophobicContact CG2-CD1 3.59Å; I35-I39 HydrophobicContact CG2-CG1 4.17Å; I35-I39 WeakPolarHBondContact O-CB 3.48Å; I35-I39 VanDerWaalsContact O-CG1 3.31Å; I35-I39 WeakPolarHBondContact O-CG1 3.48Å; I35-I39 PolarHBondContact O-N 3.39Å; N36-I39 PolarHBondContact O-N 3.17Å; E37-I39 PolarHBondContact O-N 3.29Å; I39-Q41 VanDerWaalsContact C-N 3.35Å; I39-Q41 PolarHBondContact O-N 3.23Å; I39-L42 PolarHBondContact O-N 3.42Å; I39-I43 HydrophobicContact CG2-CD1 3.41Å; I39-I43 VanDerWaalsContact CG2-CD1 3.41Å; I39-I43 HydrophobicContact CG2-CG1 4.25Å; I39-I43 WeakPolarHBondContact O-CB 3.24Å; I39-I43 WeakPolarHBondContact O-CD1 3.46Å; I39-I43 VanDerWaalsContact O-CG1 3.25Å; I39-I43 WeakPolarHBondContact O-CG1 3.49Å; I39-I43 PolarHBondContact O-N 2.92Å; I39-L75 HydrophobicContact CD1-CD1 4.35Å; I39-L75 HydrophobicContact CG1-CD1 3.94Å; I39-L75 HydrophobicContact CG1-CG 4.27Å; I39-F104 HydrophobicContact CG1-CE2 4.4Å; I39-F104 HydrophobicContact CG2-CE2 4.46Å; I39-F104 HydrophobicContact CG2-CZ 4.38Å
40T86.3Confident81.3Confident86 Ų8664.5 Ų64.553%0.52835%0.353SS..Hα-helixtrans-61.9-44.6178.2-54.30000110.8N36 E37 L42 I43 D44N36-T40 WeakPolarHBondContact O-CB 3.41Å; N36-T40 PolarHBondContact O-N 3.44Å; N36-T40 PolarHBondContact O-OG1 3.06Å; E37-T40 PolarHBondContact O-N 3.5Å; T40-L42 VanDerWaalsContact C-N 3.33Å; T40-L42 PolarHBondContact O-N 3.38Å; T40-I43 PolarHBondContact O-N 3.05Å; T40-D44 PolarHBondContact O-N 3.42Å; T40-D44 VanDerWaalsContact O-N 3.08Å
41Q86.3Confident79.6Confident96 Ų9662.8 Ų62.845%0.44935%0.353SS..Hα-helixtrans-67.9-31.8177-167.462.935.400112.8I27 W33 E37 L38 I39I27-Q41 HydrophobicContact CG2-CG 4.13Å; W33-Q41 HydrophobicContact CH2-CG 4.48Å; W33-Q41 HydrophobicContact CZ3-CB 4.42Å; W33-Q41 HydrophobicContact CZ3-CG 4.37Å; E37-Q41 WeakPolarHBondContact O-CB 3.42Å; E37-Q41 PolarHBondContact O-N 3.12Å; L38-Q41 PolarHBondContact O-N 3.18Å; I39-Q41 VanDerWaalsContact C-N 3.35Å; I39-Q41 PolarHBondContact O-N 3.23Å
42L85.4Confident78Confident0 Ų072.1 Ų72.10%039%0.391CS..Hα-helixtrans-69.9-44.6176.7-176.8155.9000111.6I16 I18 R25 I27 L38 I39 T40 D44 L46 F104I16-L42 HydrophobicContact CB-CD1 4.07Å; I16-L42 HydrophobicContact CD1-CD1 3.84Å; I16-L42 HydrophobicContact CG2-CD1 3.6Å; I18-L42 HydrophobicContact CD1-CD2 3.71Å; I18-L42 HydrophobicContact CD1-CG 4.33Å; I18-L42 HydrophobicContact CG1-CD2 4.27Å; R25-L42 PolarHBondContact NH1-O 3.43Å; I27-L42 HydrophobicContact CD1-CB 3.83Å; I27-L42 HydrophobicContact CD1-CG 4.32Å; L38-L42 WeakPolarHBondContact O-CB 3.26Å; L38-L42 PolarHBondContact O-N 3.07Å; I39-L42 PolarHBondContact O-N 3.42Å; T40-L42 VanDerWaalsContact C-N 3.33Å; T40-L42 PolarHBondContact O-N 3.38Å; L42-D44 VanDerWaalsContact C-N 3.26Å; L42-D44 PolarHBondContact O-N 3.3Å; L42-L46 HydrophobicContact CD2-CD1 4.07Å; L42-L46 VanDerWaalsContact O-CD1 3.26Å; L42-L46 WeakPolarHBondContact O-CD1 3.33Å; L42-F104 HydrophobicContact CD1-CB 4.35Å; L42-F104 HydrophobicContact CD1-CG 4.33Å; L42-F104 HydrophobicContact CD2-CD1 3.64Å; L42-F104 HydrophobicContact CD2-CE1 3.76Å; L42-F104 HydrophobicContact CD2-CG 4.19Å; L42-F104 HydrophobicContact CD2-CZ 4.41Å
43I83.5Confident76.1Confident39 Ų3969.1 Ų69.120%0.239%0.389CS..Hα-helixtrans-71.6-23.1-179.4-66.9166.2000111.4I39 T40 G45 L46 W70 F104I39-I43 HydrophobicContact CG2-CD1 3.41Å; I39-I43 VanDerWaalsContact CG2-CD1 3.41Å; I39-I43 HydrophobicContact CG2-CG1 4.25Å; I39-I43 WeakPolarHBondContact O-CB 3.24Å; I39-I43 WeakPolarHBondContact O-CD1 3.46Å; I39-I43 VanDerWaalsContact O-CG1 3.25Å; I39-I43 WeakPolarHBondContact O-CG1 3.49Å; I39-I43 PolarHBondContact O-N 2.92Å; T40-I43 PolarHBondContact O-N 3.05Å; I43-G45 PolarHBondContact O-N 3Å; I43-G45 VanDerWaalsContact O-N 3.14Å; I43-L46 WeakPolarHBondContact O-CB 3.44Å; I43-L46 PolarHBondContact O-N 3.39Å; I43-W70 HydrophobicContact CD1-CB 3.63Å; I43-W70 HydrophobicContact CD1-CD2 4.31Å; I43-W70 HydrophobicContact CD1-CG 3.87Å; I43-W70 HydrophobicContact CG1-CB 4.36Å; I43-W70 HydrophobicContact CG1-CD2 4.08Å; I43-W70 HydrophobicContact CG1-CE3 4.42Å; I43-W70 HydrophobicContact CG1-CG 4.08Å; I43-W70 VanDerWaalsContact CG2-CD1 3.48Å; I43-W70 HydrophobicContact CG2-CD2 4.3Å; I43-W70 HydrophobicContact CG2-CG 3.96Å; I43-F104 HydrophobicContact CD1-CZ 4.39Å; I43-F104 HydrophobicContact CG1-CE1 4.46Å; I43-F104 HydrophobicContact CG1-CZ 4.41Å
44D82.3Confident74.3Confident111 Ų11170 Ų7059%0.59440%0.398SS*.THydrogen-bonded Turntrans-55121.4177.9-161.714.6000111R25 T40 L42R25-D44 PolarHBondContact NH1-O 3.13Å; R25-D44 VanDerWaalsContact NH1-O 3.1Å; T40-D44 PolarHBondContact O-N 3.42Å; T40-D44 VanDerWaalsContact O-N 3.08Å; L42-D44 VanDerWaalsContact C-N 3.26Å; L42-D44 PolarHBondContact O-N 3.3Å
45G69.4Low72.4Confident73 Ų7373.5 Ų73.575%0.75342%0.415SS*.THydrogen-bonded Turntrans76.611.9-174.400000117.3I43I43-G45 PolarHBondContact O-N 3Å; I43-G45 VanDerWaalsContact O-N 3.14Å
46L75.6Confident70.3Confident29 Ų2979.8 Ų79.815%0.15246%0.456CS..  trans-106.3132.4176.4-69.2175.8000113.5I18 L21 L42 I43 W70I18-L46 HydrophobicContact CD1-CD1 3.49Å; I18-L46 VanDerWaalsContact CD1-CD1 3.49Å; L21-L46 HydrophobicContact CD1-CD1 4.37Å; L21-L46 HydrophobicContact CD1-CD2 3.74Å; L42-L46 HydrophobicContact CD2-CD1 4.07Å; L42-L46 VanDerWaalsContact O-CD1 3.26Å; L42-L46 WeakPolarHBondContact O-CD1 3.33Å; I43-L46 WeakPolarHBondContact O-CB 3.44Å; I43-L46 PolarHBondContact O-N 3.39Å; L46-W70 HydrophobicContact CB-CH2 4.27Å; L46-W70 HydrophobicContact CB-CZ2 3.65Å; L46-W70 HydrophobicContact CD1-CH2 4.27Å; L46-W70 HydrophobicContact CD1-CZ2 4.41Å
47T67.1Low68.5Low119 Ų11982.6 Ų82.673%0.7347%0.471SS*.PPolyproline II helixtrans-76.9132.5168.652.70000110.3W70T47-W70 WeakPolarHBondContact O-CZ2 3.43Å
48C61.2Low67Low35 Ų3579.7 Ų79.724%0.23646%0.457CS..PPolyproline II helixtrans-66.6132.8176.9-1680000110.4S68C48-S68 PolarHBondContact SG-O 3.46Å
49P60.7Low65.5Low38 Ų3880.9 Ų80.925%0.24746%0.463CS..PPolyproline II helixtrans-62.4139.4177.523.9-32.5000111.3Y73P49-Y73 WeakPolarHBondContact CG-OH 3.44Å
50I57.5Low64Low157 Ų15780.9 Ų80.981%0.80547%0.466SS*.PPolyproline II helixtrans-75.1121.9178.1-57.3166.3000107.5K52I50-K52 PolarHBondContact O-N 3.15Å
51P55.2Low62.6Low57 Ų5778.9 Ų78.937%0.3745%0.452SS..PPolyproline II helixtrans-63.1137.2178.625.1-33.1000110.4V66P51-V66 HydrophobicContact CG-CG1 3.56Å
52K53.9Low61.1Low204 Ų20479 Ų7989%0.88745%0.448SS*.PPolyproline II helixtrans-60.7138.7172.3-67.1176.9-177.8171.60108.9I50 L54I50-K52 PolarHBondContact O-N 3.15Å; K52-L54 PolarHBondContact O-N 3.12Å
53S47.4Very low59.3Low106 Ų10683.1 Ų83.174%0.74148%0.477SS*.PPolyproline II helixtrans-63.2128.717556.10000110.2N55S53-N55 PolarHBondContact O-N 2.72Å
54L53.1Low57.5Low86 Ų8685.8 Ų85.845%0.4549%0.492SS..PPolyproline II helixtrans-57.5131.1176.6-132.985.4000110.5K52 E58 V124K52-L54 PolarHBondContact O-N 3.12Å; L54-E58 HydrophobicContact CD2-CB 4.25Å; L54-E58 HydrophobicContact CG-CB 3.99Å; L54-V124 HydrophobicContact CD1-CG1 3.88Å
55N50.4Low55.8Low94 Ų9485.1 Ų85.150%0.50350%0.496SS..PPolyproline II helixtrans-73.9151.8169-69.2-55.4000110.1S53 N57 E58S53-N55 PolarHBondContact O-N 2.72Å; N55-N57 PolarHBondContact O-N 3.37Å; N55-E58 HydrophobicContact CB-CG 4.23Å; N55-E58 WeakPolarHBondContact CB-OE1 3.13Å; N55-E58 PolarHBondContact N-OE2 2.93Å; N55-E58 PolarHBondContact ND2-OE1 2.82Å; N55-E58 WeakPolarHBondContact O-CB 3.42Å; N55-E58 PolarHBondContact O-N 2.85Å
56P47.3Very low54.6Low132 Ų13287.3 Ų87.386%0.85749%0.494SS*.THydrogen-bonded Turntrans-62.8-11.1-178.625-34.8000114.7
57N51.4Low53.4Low144 Ų14493.1 Ų93.177%0.7751%0.514SS*.THydrogen-bonded Turntrans-95.3-5.9178.3-64.6-9000113.5N55N55-N57 PolarHBondContact O-N 3.37Å
58E55.4Low52.7Low39 Ų3990.9 Ų90.918%0.18250%0.504CS..  trans-91.8126-174.2-77.7167.2-154.700110.9L54 N55 S60 V124L54-E58 HydrophobicContact CD2-CB 4.25Å; L54-E58 HydrophobicContact CG-CB 3.99Å; N55-E58 HydrophobicContact CB-CG 4.23Å; N55-E58 WeakPolarHBondContact CB-OE1 3.13Å; N55-E58 PolarHBondContact N-OE2 2.93Å; N55-E58 PolarHBondContact ND2-OE1 2.82Å; N55-E58 WeakPolarHBondContact O-CB 3.42Å; N55-E58 PolarHBondContact O-N 2.85Å; E58-S60 PolarHBondContact O-N 2.83Å; E58-V124 HydrophobicContact CB-CB 4.45Å; E58-V124 HydrophobicContact CB-CG2 3.55Å; E58-V124 HydrophobicContact CG-CG2 3.62Å
59I58.2Low52.7Low25 Ų2591.9 Ų91.913%0.12851%0.511CS..EExtended strand (participates in β ladder)trans-91101.5178.7-68.6168.4000108.4L61 E122 F123 V124 Y142I59-L61 PolarHBondContact O-N 2.92Å; I59-E122 PolarHBondContact N-O 3.28Å; I59-F123 HydrophobicContact CB-CD1 4.38Å; I59-F123 HydrophobicContact CG2-CD1 3.8Å; I59-F123 HydrophobicContact CG2-CE1 3.99Å; I59-V124 PolarHBondContact O-N 2.95Å; I59-Y142 HydrophobicContact CB-CE1 4.35Å; I59-Y142 HydrophobicContact CD1-CE1 3.93Å; I59-Y142 HydrophobicContact CG1-CE1 4.24Å; I59-Y142 HydrophobicContact CG2-CD1 3.77Å; I59-Y142 HydrophobicContact CG2-CD2 3.97Å; I59-Y142 HydrophobicContact CG2-CE1 3.27Å; I59-Y142 HydrophobicContact CG2-CE2 3.46Å; I59-Y142 VanDerWaalsContact CG2-CE2 3.46Å; I59-Y142 HydrophobicContact CG2-CG 4.11Å; I59-Y142 WeakPolarHBondContact CG2-OH 3.36Å
60S56Low53.2Low29 Ų2991.8 Ų91.820%0.20351%0.506CS..EExtended strand (participates in β ladder)trans-76.5123171175.50000110.3E58 R62 V124 D125E58-S60 PolarHBondContact O-N 2.83Å; S60-R62 PolarHBondContact O-N 3.41Å; S60-R62 PolarHBondContact OG-N 3.09Å; S60-R62 VanDerWaalsContact OG-N 3.12Å; S60-R62 PolarHBondContact OG-O 2.86Å; S60-R62 VanDerWaalsContact OG-O 3.09Å; S60-V124 WeakPolarHBondContact CA-O 3.31Å; S60-D125 WeakPolarHBondContact CB-OD2 3.47Å; S60-D125 PolarHBondContact OG-OD2 2.92Å
61L56.7Low53.9Low44 Ų4487.5 Ų87.523%0.2350%0.5CS..SBendtrans-69.7-8.3171.8-68.5178.6000112.7I59 F123 V124 V126 I139 Y142I59-L61 PolarHBondContact O-N 2.92Å; L61-F123 HydrophobicContact CD1-CB 4.49Å; L61-F123 HydrophobicContact CD1-CD1 4.36Å; L61-F123 HydrophobicContact CD2-CD1 3.64Å; L61-F123 HydrophobicContact CD2-CE1 4.04Å; L61-F123 HydrophobicContact CG-CD1 4.01Å; L61-V124 PolarHBondContact N-O 3.47Å; L61-V126 HydrophobicContact CD1-CB 4.48Å; L61-V126 HydrophobicContact CD1-CG2 3.83Å; L61-I139 HydrophobicContact CD1-CG1 4.22Å; L61-Y142 HydrophobicContact CD2-CD2 4.25Å; L61-Y142 HydrophobicContact CD2-CG 3.98Å
62R55.2Low55Low97 Ų9786.5 Ų86.537%0.36649%0.492SS..  trans-109.9111.1177.8-73.1-175.8159.2-148.4-16.6111S60 N64 D72 Y108 D125S60-R62 PolarHBondContact O-N 3.41Å; S60-R62 PolarHBondContact OG-N 3.09Å; S60-R62 VanDerWaalsContact OG-N 3.12Å; S60-R62 PolarHBondContact OG-O 2.86Å; S60-R62 VanDerWaalsContact OG-O 3.09Å; R62-N64 PolarHBondContact O-N 3.33Å; R62-D72 IonicContact CZ-OD1 3.99Å; R62-D72 IonicContact NH1-OD1 3.26Å; R62-D72 PolarHBondContact NH1-OD1 3.12Å; R62-D72 IonicContact NH1-OD2 2.65Å; R62-D72 PolarHBondContact NH1-OD2 2.67Å; R62-Y108 VanDerWaalsContact CZ-CE2 3.49Å; R62-Y108 VanDerWaalsContact CZ-OH 3.29Å; R62-Y108 PolarHBondContact NH2-OH 2.72Å; R62-D125 HydrophobicContact CB-CB 4.39Å; R62-D125 HydrophobicContact CG-CB 4.21Å
63S47.7Very low56.4Low88 Ų8878.3 Ų78.362%0.61546%0.455SS*.  trans-66.62.7173.5-1780000114.7
64N45Very low58.2Low95 Ų9573.5 Ų73.551%0.50842%0.422SS..SBendtrans-100.2108.8-176.9-95.60.1000111.7R62 V66R62-N64 PolarHBondContact O-N 3.33Å; N64-V66 PolarHBondContact O-N 2.99Å
65S47.8Very low59.9Low96 Ų9669.4 Ų69.467%0.67140%0.401SS*.  trans4.7110.1145169.30000115.5R67S65-R67 WeakPolarHBondContact O-CG 3.41Å; S65-R67 PolarHBondContact O-N 3.33Å
66V44.1Very low61.7Low120 Ų12065.2 Ų65.273%0.72738%0.378SS*.  trans9.698.3153.6-170.10000113.7P51 N64P51-V66 HydrophobicContact CG-CG1 3.56Å; N64-V66 PolarHBondContact O-N 2.99Å
67R50.1Low63.7Low150 Ų15059.7 Ų59.757%0.56634%0.34SS*.  trans-115.898.2177-62.8-162.1172.5-165.7-5.3111.1S65 S69S65-R67 WeakPolarHBondContact O-CG 3.41Å; S65-R67 PolarHBondContact O-N 3.33Å; R67-S69 PolarHBondContact O-N 3.42Å
68S53.3Low65.3Low73 Ų7354.8 Ų54.851%0.5132%0.316SS..  trans-77.660166.757.80000110.8C48C48-S68 PolarHBondContact SG-O 3.46Å
69S60.8Low66.7Low55 Ų5556.1 Ų56.139%0.38533%0.334SS..  trans-129.8135.1179.364.10000111.8R67 G71 D72R67-S69 PolarHBondContact O-N 3.42Å; S69-G71 PolarHBondContact O-N 3.49Å; S69-D72 PolarHBondContact O-N 3.39Å
70W71Confident67.9Low37 Ų3761.2 Ų61.214%0.1435%0.352CS..G310 helixtrans-55.2-7.5175.1-66.4111.3000115.5L21 I43 L46 T47 D72 Y73 F104L21-W70 HydrophobicContact CD1-CH2 4.4Å; I43-W70 HydrophobicContact CD1-CB 3.63Å; I43-W70 HydrophobicContact CD1-CD2 4.31Å; I43-W70 HydrophobicContact CD1-CG 3.87Å; I43-W70 HydrophobicContact CG1-CB 4.36Å; I43-W70 HydrophobicContact CG1-CD2 4.08Å; I43-W70 HydrophobicContact CG1-CE3 4.42Å; I43-W70 HydrophobicContact CG1-CG 4.08Å; I43-W70 VanDerWaalsContact CG2-CD1 3.48Å; I43-W70 HydrophobicContact CG2-CD2 4.3Å; I43-W70 HydrophobicContact CG2-CG 3.96Å; L46-W70 HydrophobicContact CB-CH2 4.27Å; L46-W70 HydrophobicContact CB-CZ2 3.65Å; L46-W70 HydrophobicContact CD1-CH2 4.27Å; L46-W70 HydrophobicContact CD1-CZ2 4.41Å; T47-W70 WeakPolarHBondContact O-CZ2 3.43Å; W70-D72 PolarHBondContact O-N 2.96Å; W70-Y73 HydrophobicContact CE3-CD1 4.26Å; W70-Y73 AromaticContact CE3-CD2 3.77Å; W70-Y73 HydrophobicContact CE3-CD2 3.77Å; W70-Y73 HydrophobicContact CE3-CE1 4.47Å; W70-Y73 AromaticContact CE3-CE2 3.99Å; W70-Y73 HydrophobicContact CE3-CE2 3.99Å; W70-Y73 AromaticContact CE3-CG 3.94Å; W70-Y73 HydrophobicContact CE3-CG 3.94Å; W70-Y73 HydrophobicContact CZ3-CD1 4.18Å; W70-Y73 HydrophobicContact CZ3-CD2 4.37Å; W70-Y73 HydrophobicContact CZ3-CE1 4.12Å; W70-Y73 HydrophobicContact CZ3-CE2 4.3Å; W70-Y73 HydrophobicContact CZ3-CG 4.32Å; W70-Y73 PolarHBondContact O-N 2.73Å; W70-F104 AromaticContact CE3-CE1 3.57Å; W70-F104 HydrophobicContact CE3-CE1 3.57Å; W70-F104 HydrophobicContact CE3-CZ 4.21Å; W70-F104 HydrophobicContact CZ3-CD1 4.2Å; W70-F104 AromaticContact CZ3-CE1 3.57Å; W70-F104 HydrophobicContact CZ3-CE1 3.57Å
71G72.6Confident69.2Low67 Ų6761.4 Ų61.469%0.69135%0.353SS*.G310 helixtrans-66-12.9178.700000115.2S69S69-G71 PolarHBondContact O-N 3.49Å
72D77Confident70.5Confident36 Ų3662.4 Ų62.419%0.19336%0.355CS..G310 helixtrans-96.92.4177.3-74.8-33.7000113.3R62 S69 W70 I107 Y108R62-D72 IonicContact CZ-OD1 3.99Å; R62-D72 IonicContact NH1-OD1 3.26Å; R62-D72 PolarHBondContact NH1-OD1 3.12Å; R62-D72 IonicContact NH1-OD2 2.65Å; R62-D72 PolarHBondContact NH1-OD2 2.67Å; S69-D72 PolarHBondContact O-N 3.39Å; W70-D72 PolarHBondContact O-N 2.96Å; D72-I107 VanDerWaalsContact O-CB 3.3Å; D72-I107 WeakPolarHBondContact O-CB 3.34Å; D72-I107 WeakPolarHBondContact O-CG1 3.48Å; D72-I107 PolarHBondContact O-N 3.4Å; D72-Y108 HydrophobicContact CB-CD2 3.78Å; D72-Y108 HydrophobicContact CB-CE2 3.77Å; D72-Y108 VanDerWaalsContact OD1-CE2 3.23Å; D72-Y108 WeakPolarHBondContact OD1-CE2 3.4Å
73Y82.9Confident72.1Confident32 Ų3257.9 Ų57.913%0.12534%0.338CS..EExtended strand (participates in β ladder)trans-94.6147.4178.5-73.4-105.4000112.3D20 P49 W70 F104 L105D20-Y73 WeakPolarHBondContact OD2-CE1 3.44Å; D20-Y73 PolarHBondContact OD2-OH 3.49Å; P49-Y73 WeakPolarHBondContact CG-OH 3.44Å; W70-Y73 HydrophobicContact CE3-CD1 4.26Å; W70-Y73 AromaticContact CE3-CD2 3.77Å; W70-Y73 HydrophobicContact CE3-CD2 3.77Å; W70-Y73 HydrophobicContact CE3-CE1 4.47Å; W70-Y73 AromaticContact CE3-CE2 3.99Å; W70-Y73 HydrophobicContact CE3-CE2 3.99Å; W70-Y73 AromaticContact CE3-CG 3.94Å; W70-Y73 HydrophobicContact CE3-CG 3.94Å; W70-Y73 HydrophobicContact CZ3-CD1 4.18Å; W70-Y73 HydrophobicContact CZ3-CD2 4.37Å; W70-Y73 HydrophobicContact CZ3-CE1 4.12Å; W70-Y73 HydrophobicContact CZ3-CE2 4.3Å; W70-Y73 HydrophobicContact CZ3-CG 4.32Å; W70-Y73 PolarHBondContact O-N 2.73Å; Y73-F104 HydrophobicContact CD1-CD1 4.02Å; Y73-F104 AromaticContact CD1-CE1 3.88Å; Y73-F104 HydrophobicContact CD1-CE1 3.88Å; Y73-F104 HydrophobicContact CD1-CZ 4.3Å; Y73-F104 AromaticContact CG-CE1 3.95Å; Y73-F104 HydrophobicContact CG-CE1 3.95Å; Y73-F104 AromaticContact CG-CZ 4Å; Y73-F104 HydrophobicContact CG-CZ 4Å; Y73-L105 CarbonylContact C-O 3.55Å; Y73-L105 WeakPolarHBondContact CA-O 3.4Å
74G86Confident74Confident4 Ų453.9 Ų53.94%0.04131%0.31CS..EExtended strand (participates in β ladder)trans-135.5154.2177.900000112.1L105G74-L105 PolarHBondContact N-O 3.4Å; G74-L105 PolarHBondContact O-N 3.23Å
75L88.8Confident75.8Confident1 Ų152.3 Ų52.31%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-85.7125.2172.2-73.6170.6000110.2I16 I35 L38 I39 L84 R103 F104I16-L75 HydrophobicContact CD1-CD2 4.44Å; I16-L75 HydrophobicContact CG2-CD2 3.93Å; I35-L75 HydrophobicContact CG2-CD1 4.11Å; L38-L75 HydrophobicContact CD2-CD1 3.77Å; L38-L75 HydrophobicContact CG-CD1 4.44Å; I39-L75 HydrophobicContact CD1-CD1 4.35Å; I39-L75 HydrophobicContact CG1-CD1 3.94Å; I39-L75 HydrophobicContact CG1-CG 4.27Å; L75-L84 HydrophobicContact CB-CB 3.98Å; L75-L84 HydrophobicContact CB-CD1 4.05Å; L75-L84 HydrophobicContact CB-CG 4.43Å; L75-L84 PolarHBondContact O-N 3.43Å; L75-R103 WeakPolarHBondContact CA-O 3.29Å; L75-F104 HydrophobicContact CD2-CB 4.21Å; L75-F104 HydrophobicContact CD2-CD2 3.76Å; L75-F104 HydrophobicContact CD2-CG 4.41Å; L75-F104 HydrophobicContact CG-CD2 4.09Å
76W88.6Confident77.5Confident6 Ų652.6 Ų52.62%0.02329%0.29CS..EExtended strand (participates in β ladder)trans-108.1135.2175.7174.5-119.5000110.1P78 S81 K82 W83 L102 R103 L105 L331 E332W76-P78 VanDerWaalsContact O-CD 3.31Å; W76-P78 WeakPolarHBondContact O-CD 3.46Å; W76-S81 VanDerWaalsContact CH2-CA 3.4Å; W76-S81 VanDerWaalsContact CH2-O 3.31Å; W76-S81 WeakPolarHBondContact CH2-O 3.42Å; W76-S81 VanDerWaalsContact CZ2-CA 3.47Å; W76-S81 VanDerWaalsContact CZ3-C 3.46Å; W76-K82 VanDerWaalsContact CE3-O 3.3Å; W76-K82 VanDerWaalsContact CZ3-N 3.32Å; W76-W83 HydrophobicContact CB-CE3 4.13Å; W76-W83 HydrophobicContact CB-CH2 4.46Å; W76-W83 HydrophobicContact CB-CZ3 4.02Å; W76-W83 HydrophobicContact CE3-CB 4.39Å; W76-W83 AromaticContact CE3-CD1 3.75Å; W76-W83 AromaticContact CE3-CD2 3.63Å; W76-W83 HydrophobicContact CE3-CD2 3.63Å; W76-W83 AromaticContact CE3-CE2 3.75Å; W76-W83 HydrophobicContact CE3-CE3 4.22Å; W76-W83 AromaticContact CE3-CG 3.67Å; W76-W83 HydrophobicContact CE3-CG 3.67Å; W76-W83 HydrophobicContact CE3-CZ2 4.47Å; W76-W83 AromaticContact CE3-NE1 3.77Å; W76-W83 AromaticContact CZ3-CD1 3.49Å; W76-W83 VanDerWaalsContact CZ3-CD1 3.49Å; W76-W83 HydrophobicContact CZ3-CD2 4.19Å; W76-W83 AromaticContact CZ3-CG 3.85Å; W76-W83 HydrophobicContact CZ3-CG 3.85Å; W76-W83 AromaticContact CZ3-NE1 3.63Å; W76-L102 WeakPolarHBondContact O-CA 3.47Å; W76-R103 HydrophobicContact CB-CB 4.42Å; W76-R103 PolarHBondContact N-O 3.31Å; W76-R103 PolarHBondContact O-N 3.33Å; W76-L105 HydrophobicContact CB-CD1 3.71Å; W76-L105 HydrophobicContact CB-CG 4.37Å; W76-L105 HydrophobicContact CG-CD1 3.97Å; W76-L331 HydrophobicContact CB-CD2 4.44Å; W76-L331 HydrophobicContact CD2-CD2 3.4Å; W76-L331 VanDerWaalsContact CD2-CD2 3.4Å; W76-L331 HydrophobicContact CD2-CG 4.21Å; W76-L331 HydrophobicContact CE3-CD2 3.73Å; W76-L331 HydrophobicContact CE3-CG 4.44Å; W76-L331 HydrophobicContact CG-CD2 3.73Å; W76-L331 HydrophobicContact CH2-CB 4.25Å; W76-L331 HydrophobicContact CH2-CD2 4.19Å; W76-L331 HydrophobicContact CH2-CG 4.01Å; W76-L331 HydrophobicContact CZ2-CB 4.48Å; W76-L331 HydrophobicContact CZ2-CD2 3.92Å; W76-L331 HydrophobicContact CZ2-CG 3.77Å; W76-L331 HydrophobicContact CZ3-CB 4.44Å; W76-L331 HydrophobicContact CZ3-CD2 4.11Å; W76-L331 HydrophobicContact CZ3-CG 4.35Å; W76-E332 HydrophobicContact CH2-CG 4.03Å; W76-E332 HydrophobicContact CZ3-CG 4.23Å
77W88.5Confident79.5Confident15 Ų1550 Ų506%0.05728%0.275CS..EExtended strand (participates in β ladder)trans-10997.3173.4-172.311.7000110.5A79 R80 S81 K82 L96 A100 L102W77-A79 VanDerWaalsContact C-N 3.31Å; W77-A79 PolarHBondContact O-N 3.32Å; W77-R80 HydrophobicContact CD2-CB 3.91Å; W77-R80 HydrophobicContact CD2-CG 3.92Å; W77-R80 HydrophobicContact CE3-CB 3.93Å; W77-R80 HydrophobicContact CE3-CG 3.93Å; W77-R80 HydrophobicContact CG-CB 4.37Å; W77-R80 VanDerWaalsContact CH2-CD 3.46Å; W77-R80 HydrophobicContact CH2-CG 3.88Å; W77-R80 HydrophobicContact CZ2-CG 3.83Å; W77-R80 HydrophobicContact CZ3-CB 4.38Å; W77-R80 HydrophobicContact CZ3-CG 3.93Å; W77-R80 PolarHBondContact O-N 3.21Å; W77-S81 WeakPolarHBondContact O-CA 3.47Å; W77-S81 PolarHBondContact O-N 3.06Å; W77-K82 PolarHBondContact N-O 3.28Å; W77-K82 PolarHBondContact O-N 3.08Å; W77-K82 VanDerWaalsContact O-N 3.14Å; W77-L96 HydrophobicContact CD2-CD2 3.72Å; W77-L96 HydrophobicContact CE3-CD2 3.55Å; W77-L96 HydrophobicContact CE3-CG 4.43Å; W77-L96 HydrophobicContact CG-CD2 4.44Å; W77-L96 HydrophobicContact CH2-CD2 3.7Å; W77-L96 HydrophobicContact CH2-CG 4.39Å; W77-L96 HydrophobicContact CZ2-CD2 3.89Å; W77-L96 HydrophobicContact CZ3-CD2 3.52Å; W77-L96 HydrophobicContact CZ3-CG 4.1Å; W77-A100 HydrophobicContact CZ2-CB 4.11Å; W77-L102 HydrophobicContact CB-CD2 3.59Å; W77-L102 HydrophobicContact CD2-CD2 4.34Å; W77-L102 HydrophobicContact CG-CD2 3.65Å
78P86.1Confident81.2Confident41 Ų4152.2 Ų52.227%0.26629%0.289SS..G310 helixtrans-59.3-37.4-179.4-23.731.3000113.8W76 R80 S81 K101 R103 Y176W76-P78 VanDerWaalsContact O-CD 3.31Å; W76-P78 WeakPolarHBondContact O-CD 3.46Å; P78-R80 PolarHBondContact O-N 3.17Å; P78-S81 PolarHBondContact O-N 3.03Å; P78-K101 WeakPolarHBondContact CD-O 3.31Å; P78-R103 HydrophobicContact CG-CG 3.99Å; P78-Y176 PolarHBondContact O-OH 3.26Å
79A84.5Confident82.9Confident68 Ų6849.8 Ų49.856%0.56227%0.272SS*.G310 helixtrans-75.6-7.8-175.500000114.3W77 Y176W77-A79 VanDerWaalsContact C-N 3.31Å; W77-A79 PolarHBondContact O-N 3.32Å; A79-Y176 PolarHBondContact O-OH 3.17Å
80R82.3Confident84.4Confident132 Ų13248.3 Ų48.350%0.49826%0.262SS..G310 helixtrans-121.65.3165.1-68.6-159.3-177.6166.22.3113.3W77 P78 K82 Y94 Y176W77-R80 HydrophobicContact CD2-CB 3.91Å; W77-R80 HydrophobicContact CD2-CG 3.92Å; W77-R80 HydrophobicContact CE3-CB 3.93Å; W77-R80 HydrophobicContact CE3-CG 3.93Å; W77-R80 HydrophobicContact CG-CB 4.37Å; W77-R80 VanDerWaalsContact CH2-CD 3.46Å; W77-R80 HydrophobicContact CH2-CG 3.88Å; W77-R80 HydrophobicContact CZ2-CG 3.83Å; W77-R80 HydrophobicContact CZ3-CB 4.38Å; W77-R80 HydrophobicContact CZ3-CG 3.93Å; W77-R80 PolarHBondContact O-N 3.21Å; P78-R80 PolarHBondContact O-N 3.17Å; R80-K82 VanDerWaalsContact C-N 3.27Å; R80-K82 HydrophobicContact CB-CB 4.39Å; R80-K82 PolarHBondContact O-N 3.08Å; R80-Y94 PolarHBondContact NH1-O 3.03Å; R80-Y176 VanDerWaalsContact C-OH 3.31Å; R80-Y176 WeakPolarHBondContact CA-OH 3.32Å; R80-Y176 PolarHBondContact N-OH 2.87Å; R80-Y176 VanDerWaalsContact N-OH 3.14Å
81S83.8Confident85.3Confident33 Ų3346.6 Ų46.623%0.23126%0.255CS..THydrogen-bonded Turntrans40.354.9-167.9-62.10000112.1W76 W77 P78 Y176 E332W76-S81 VanDerWaalsContact CH2-CA 3.4Å; W76-S81 VanDerWaalsContact CH2-O 3.31Å; W76-S81 WeakPolarHBondContact CH2-O 3.42Å; W76-S81 VanDerWaalsContact CZ2-CA 3.47Å; W76-S81 VanDerWaalsContact CZ3-C 3.46Å; W77-S81 WeakPolarHBondContact O-CA 3.47Å; W77-S81 PolarHBondContact O-N 3.06Å; P78-S81 PolarHBondContact O-N 3.03Å; S81-Y176 PolarHBondContact N-OH 2.81Å; S81-Y176 WeakPolarHBondContact OG-CE2 3.43Å; S81-E332 WeakPolarHBondContact O-CG 3.26Å
82K85.2Confident86.1Confident64 Ų6448 Ų4828%0.27825%0.246SC..EExtended strand (participates in β ladder)trans-134.8138.6-174.9-169.4175.2-178.4-1750112.8W76 W77 R80 V1142W76-K82 VanDerWaalsContact CE3-O 3.3Å; W76-K82 VanDerWaalsContact CZ3-N 3.32Å; W77-K82 PolarHBondContact N-O 3.28Å; W77-K82 PolarHBondContact O-N 3.08Å; W77-K82 VanDerWaalsContact O-N 3.14Å; R80-K82 VanDerWaalsContact C-N 3.27Å; R80-K82 HydrophobicContact CB-CB 4.39Å; R80-K82 PolarHBondContact O-N 3.08Å; K82-V1142 WeakPolarHBondContact CE-OXT 3.29Å; K82-V1142 PolarHBondContact NZ-OXT 3.28Å
83W87.3Confident86.6Confident3 Ų352.7 Ų52.71%0.01127%0.268CS..EExtended strand (participates in β ladder)trans-81.7141.6170.4-71.2102.5000112.2W76 L85 L105 I107 F128 A129 S329 L331 M337W76-W83 HydrophobicContact CB-CE3 4.13Å; W76-W83 HydrophobicContact CB-CH2 4.46Å; W76-W83 HydrophobicContact CB-CZ3 4.02Å; W76-W83 HydrophobicContact CE3-CB 4.39Å; W76-W83 AromaticContact CE3-CD1 3.75Å; W76-W83 AromaticContact CE3-CD2 3.63Å; W76-W83 HydrophobicContact CE3-CD2 3.63Å; W76-W83 AromaticContact CE3-CE2 3.75Å; W76-W83 HydrophobicContact CE3-CE3 4.22Å; W76-W83 AromaticContact CE3-CG 3.67Å; W76-W83 HydrophobicContact CE3-CG 3.67Å; W76-W83 HydrophobicContact CE3-CZ2 4.47Å; W76-W83 AromaticContact CE3-NE1 3.77Å; W76-W83 AromaticContact CZ3-CD1 3.49Å; W76-W83 VanDerWaalsContact CZ3-CD1 3.49Å; W76-W83 HydrophobicContact CZ3-CD2 4.19Å; W76-W83 AromaticContact CZ3-CG 3.85Å; W76-W83 HydrophobicContact CZ3-CG 3.85Å; W76-W83 AromaticContact CZ3-NE1 3.63Å; W83-L85 HydrophobicContact CB-CD1 4.46Å; W83-L85 HydrophobicContact CB-CD2 4.29Å; W83-L85 HydrophobicContact CB-CG 3.95Å; W83-L105 HydrophobicContact CH2-CB 4.17Å; W83-L105 HydrophobicContact CH2-CD1 4.4Å; W83-L105 HydrophobicContact CZ3-CB 4.44Å; W83-I107 HydrophobicContact CZ3-CG1 4.42Å; W83-F128 HydrophobicContact CZ2-CB 4.4Å; W83-F128 PolarHBondContact NE1-O 3.07Å; W83-A129 HydrophobicContact CD2-CB 3.82Å; W83-A129 HydrophobicContact CE3-CB 4.39Å; W83-A129 HydrophobicContact CG-CB 3.97Å; W83-A129 HydrophobicContact CZ2-CB 4.19Å; W83-S329 PolarHBondContact NE1-OG 2.84Å; W83-L331 HydrophobicContact CH2-CD2 3.92Å; W83-L331 HydrophobicContact CZ2-CB 4.11Å; W83-L331 HydrophobicContact CZ2-CD2 3.28Å; W83-L331 HydrophobicContact CZ2-CG 4.32Å; W83-M337 HydrophobicContact CH2-CE 4.21Å; W83-M337 HydrophobicContact CZ2-CE 4.36Å
84L87.4Confident86.7Confident4 Ų452.4 Ų52.42%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-104.170.7177.9-58.6179.1000109.8I35 L75 Y94 L96 L102I35-L84 HydrophobicContact CD1-CB 3.78Å; L75-L84 HydrophobicContact CB-CB 3.98Å; L75-L84 HydrophobicContact CB-CD1 4.05Å; L75-L84 HydrophobicContact CB-CG 4.43Å; L75-L84 PolarHBondContact O-N 3.43Å; L84-Y94 HydrophobicContact CD2-CD1 3.3Å; L84-Y94 HydrophobicContact CD2-CD2 4.26Å; L84-Y94 HydrophobicContact CD2-CE1 3.45Å; L84-Y94 VanDerWaalsContact CD2-CE1 3.45Å; L84-Y94 HydrophobicContact CD2-CE2 4.4Å; L84-Y94 HydrophobicContact CD2-CG 3.71Å; L84-L96 HydrophobicContact CD1-CD1 3.85Å; L84-L102 HydrophobicContact CD1-CD1 4.04Å; L84-L102 HydrophobicContact CD1-CD2 4.03Å
85L83.4Confident86.8Confident62 Ų6253.7 Ų53.733%0.32528%0.28SS..  trans-86.9-22-174-60.2-178.7000114.3W83 T87 I107 A129 V1142W83-L85 HydrophobicContact CB-CD1 4.46Å; W83-L85 HydrophobicContact CB-CD2 4.29Å; W83-L85 HydrophobicContact CB-CG 3.95Å; L85-T87 PolarHBondContact O-N 3.03Å; L85-I107 HydrophobicContact CD2-CD1 4.34Å; L85-A129 HydrophobicContact CD1-CB 4.07Å; L85-A129 HydrophobicContact CD2-CB 4.2Å; L85-V1142 HydrophobicContact CB-CG1 4.07Å; L85-V1142 HydrophobicContact CD1-CG1 3.81Å; L85-V1142 HydrophobicContact CG-CG1 4.31Å
86K84.8Confident86.8Confident101 Ų10153.8 Ų53.844%0.43928%0.28SS..  trans-77.990.4-178.4-58.5167.1166.3149.90110.1I35 K88 S89 Y94 V1142I35-K86 WeakPolarHBondContact CD1-O 3.4Å; K86-K88 PolarHBondContact O-N 3.44Å; K86-K88 VanDerWaalsContact O-N 3.13Å; K86-S89 PolarHBondContact O-N 3.17Å; K86-Y94 WeakPolarHBondContact CB-OH 3.42Å; K86-Y94 PolarHBondContact N-OH 2.72Å; K86-V1142 WeakPolarHBondContact CE-O 3.26Å; K86-V1142 PolarHBondContact NZ-O 2.85Å
87T84.5Confident86.6Confident67 Ų6759.6 Ų59.641%0.41131%0.307SS..THydrogen-bonded Turntrans-56.5-29.5-175.755.50000114.6I35 N36 L85I35-T87 PolarHBondContact N-O 3.48Å; N36-T87 WeakPolarHBondContact CB-O 3.48Å; N36-T87 PolarHBondContact N-O 3.48Å; L85-T87 PolarHBondContact O-N 3.03Å
88K87.3Confident86.4Confident195 Ų19561 Ų6185%0.84832%0.323SS*.THydrogen-bonded Turntrans-84.7-10.9-179.9-62.6-173.1179.1-175.40114.8K86K86-K88 PolarHBondContact O-N 3.44Å; K86-K88 VanDerWaalsContact O-N 3.13Å
89S88.9Confident86.4Confident23 Ų2364.9 Ų64.916%0.16134%0.341CS..SBendtrans-81.1142.4-177.9-78.30000111.1I35 K86 Q93 Y94I35-S89 PolarHBondContact N-O 3.25Å; I35-S89 VanDerWaalsContact N-O 3.15Å; K86-S89 PolarHBondContact O-N 3.17Å; S89-Q93 VanDerWaalsContact CA-OE1 3.26Å; S89-Q93 VanDerWaalsContact CB-OE1 3.23Å; S89-Q93 PolarHBondContact OG-OE1 3.39Å; S89-Q93 VanDerWaalsContact OG-OE1 3.08Å; S89-Y94 VanDerWaalsContact CB-CE2 3.43Å
90S91.8Very high86.5Confident24 Ų2461.8 Ų61.817%0.16832%0.316CS..BIsolated β-bridgetrans-79.7157.8179.564.50000112.5E32 W33 N92 Q93 Y94E32-S90 WeakPolarHBondContact O-CB 3.41Å; W33-S90 CarbonylContact O-C 3.43Å; W33-S90 WeakPolarHBondContact O-CA 3.39Å; S90-N92 PolarHBondContact O-N 3.41Å; S90-Q93 WeakPolarHBondContact O-CB 3.46Å; S90-Q93 PolarHBondContact O-N 3.47Å; S90-Q93 WeakPolarHBondContact OG-CG 3.37Å; S90-Q93 PolarHBondContact OG-N 3.41Å; S90-Y94 PolarHBondContact O-N 3.35Å
91L88.9Confident86.8Confident0 Ų061.5 Ų61.50%032%0.318CS..Hα-helixtrans-57.8-38.1177.5-62.4176.5000111.9V29 W33 L38 Q93 Y94 G95 L96V29-L91 HydrophobicContact CB-CD1 3.91Å; V29-L91 HydrophobicContact CG1-CD1 4.29Å; V29-L91 HydrophobicContact CG2-CD1 4.01Å; W33-L91 HydrophobicContact CB-CD1 4.25Å; W33-L91 PolarHBondContact O-N 3.37Å; L38-L91 HydrophobicContact CD2-CD2 3.89Å; L91-Q93 VanDerWaalsContact C-N 3.34Å; L91-Q93 PolarHBondContact O-N 3.11Å; L91-Y94 PolarHBondContact O-N 3.21Å; L91-G95 PolarHBondContact O-N 3.16Å; L91-L96 HydrophobicContact CB-CB 4.35Å; L91-L96 HydrophobicContact CB-CD1 4.41Å; L91-L96 HydrophobicContact CD2-CD1 3.48Å; L91-L96 VanDerWaalsContact CD2-CD1 3.48Å; L91-L96 PolarHBondContact O-N 2.96Å; L91-L96 VanDerWaalsContact O-N 3.14Å
92N89.2Confident87.1Confident96 Ų9660 Ų6051%0.51331%0.308SS..Hα-helixtrans-62.4-35.5174.3-77.8-8.9000113.2G31 S90 Y94 G95G31-N92 VanDerWaalsContact C-CG 3.43Å; G31-N92 VanDerWaalsContact CA-CG 3.47Å; G31-N92 WeakPolarHBondContact CA-OD1 3.45Å; G31-N92 WeakPolarHBondContact O-CB 3.19Å; G31-N92 PolarHBondContact O-N 2.82Å; G31-N92 PolarHBondContact O-ND2 3.29Å; G31-N92 PolarHBondContact O-OD1 2.83Å; S90-N92 PolarHBondContact O-N 3.41Å; N92-Y94 VanDerWaalsContact C-N 3.26Å; N92-Y94 PolarHBondContact O-N 3.44Å; N92-G95 PolarHBondContact O-N 2.8Å
93Q88.9Confident87.1Confident136 Ų13659.2 Ų59.264%0.63630%0.303SS*.Hα-helixtrans-65.9-28.9177.2-75.1174.4-1.700112.7S89 S90 L91S89-Q93 VanDerWaalsContact CA-OE1 3.26Å; S89-Q93 VanDerWaalsContact CB-OE1 3.23Å; S89-Q93 PolarHBondContact OG-OE1 3.39Å; S89-Q93 VanDerWaalsContact OG-OE1 3.08Å; S90-Q93 WeakPolarHBondContact O-CB 3.46Å; S90-Q93 PolarHBondContact O-N 3.47Å; S90-Q93 WeakPolarHBondContact OG-CG 3.37Å; S90-Q93 PolarHBondContact OG-N 3.41Å; L91-Q93 VanDerWaalsContact C-N 3.34Å; L91-Q93 PolarHBondContact O-N 3.11Å
94Y85.4Confident87.2Confident25 Ų2559 Ų5910%0.09830%0.302CS..Hα-helixtrans-83.7-13.2172.4-75.6-84.1000113.3I35 R80 L84 K86 S89 S90 L91 N92I35-Y94 HydrophobicContact CD1-CD2 3.84Å; I35-Y94 HydrophobicContact CD1-CE2 3.15Å; I35-Y94 HydrophobicContact CG1-CE2 4.28Å; R80-Y94 PolarHBondContact NH1-O 3.03Å; L84-Y94 HydrophobicContact CD2-CD1 3.3Å; L84-Y94 HydrophobicContact CD2-CD2 4.26Å; L84-Y94 HydrophobicContact CD2-CE1 3.45Å; L84-Y94 VanDerWaalsContact CD2-CE1 3.45Å; L84-Y94 HydrophobicContact CD2-CE2 4.4Å; L84-Y94 HydrophobicContact CD2-CG 3.71Å; K86-Y94 WeakPolarHBondContact CB-OH 3.42Å; K86-Y94 PolarHBondContact N-OH 2.72Å; S89-Y94 VanDerWaalsContact CB-CE2 3.43Å; S90-Y94 PolarHBondContact O-N 3.35Å; L91-Y94 PolarHBondContact O-N 3.21Å; N92-Y94 VanDerWaalsContact C-N 3.26Å; N92-Y94 PolarHBondContact O-N 3.44Å
95G87.6Confident87Confident31 Ų3159.2 Ų59.232%0.3230%0.303SS..THydrogen-bonded Turntrans6836.9-172.500000112.4L91 N92L91-G95 PolarHBondContact O-N 3.16Å; N92-G95 PolarHBondContact O-N 2.8Å
96L88Confident87Confident3 Ų357.6 Ų57.62%0.01630%0.297CS..  trans-75.6136.2171.5-70.6165.9000109.5W12 W77 L84 L91 A100 L102W12-L96 HydrophobicContact CH2-CB 4.18Å; W12-L96 WeakPolarHBondContact CZ2-O 3.46Å; W77-L96 HydrophobicContact CD2-CD2 3.72Å; W77-L96 HydrophobicContact CE3-CD2 3.55Å; W77-L96 HydrophobicContact CE3-CG 4.43Å; W77-L96 HydrophobicContact CG-CD2 4.44Å; W77-L96 HydrophobicContact CH2-CD2 3.7Å; W77-L96 HydrophobicContact CH2-CG 4.39Å; W77-L96 HydrophobicContact CZ2-CD2 3.89Å; W77-L96 HydrophobicContact CZ3-CD2 3.52Å; W77-L96 HydrophobicContact CZ3-CG 4.1Å; L84-L96 HydrophobicContact CD1-CD1 3.85Å; L91-L96 HydrophobicContact CB-CB 4.35Å; L91-L96 HydrophobicContact CB-CD1 4.41Å; L91-L96 HydrophobicContact CD2-CD1 3.48Å; L91-L96 VanDerWaalsContact CD2-CD1 3.48Å; L91-L96 PolarHBondContact O-N 2.96Å; L91-L96 VanDerWaalsContact O-N 3.14Å; L96-A100 HydrophobicContact CD2-CB 3.79Å; L96-L102 HydrophobicContact CD1-CD1 4.38Å; L96-L102 HydrophobicContact CD2-CD1 4.49Å; L96-L102 HydrophobicContact CD2-CD2 3.92Å
97Q85.2Confident86.9Confident128 Ų12853.7 Ų53.760%0.59828%0.28SS*.  trans-129.9174.3-179.5-69.4-178.4-25.200109.6W12 D99 A100W12-Q97 VanDerWaalsContact CH2-O 3.31Å; W12-Q97 WeakPolarHBondContact CH2-O 3.47Å; W12-Q97 WeakPolarHBondContact CZ3-O 3.29Å; Q97-D99 WeakPolarHBondContact CB-OD1 3.41Å; Q97-D99 PolarHBondContact O-N 2.98Å; Q97-D99 VanDerWaalsContact O-N 3.12Å; Q97-A100 WeakPolarHBondContact O-CB 3.35Å; Q97-A100 PolarHBondContact O-N 3.31Å
98A84.6Confident86.9Confident46 Ų4652.2 Ų52.238%0.3827%0.268SS..THydrogen-bonded Turntrans-58.7-23.3-176.700000115.3W12 A100W12-A98 HydrophobicContact CB-CB 3.89Å; W12-A98 HydrophobicContact CD2-CB 4.17Å; W12-A98 HydrophobicContact CE3-CB 3.85Å; W12-A98 HydrophobicContact CG-CB 4.24Å; A98-A100 VanDerWaalsContact C-N 3.33Å
99D85.6Confident86.5Confident121 Ų12143.4 Ų43.465%0.64723%0.232SC*.THydrogen-bonded Turntrans-84.3-7.3177.768.7-30.4000113.5Q97 K101Q97-D99 WeakPolarHBondContact CB-OD1 3.41Å; Q97-D99 PolarHBondContact O-N 2.98Å; Q97-D99 VanDerWaalsContact O-N 3.12Å; D99-K101 PolarHBondContact O-N 2.96Å
100A87.3Confident86.3Confident4 Ų444.4 Ų44.43%0.03324%0.236CC..  trans-72.5113.8-177.200000111.3L14 W77 L96 Q97 A98L14-A100 HydrophobicContact CD1-CB 4.23Å; L14-A100 WeakPolarHBondContact CD1-O 3.47Å; W77-A100 HydrophobicContact CZ2-CB 4.11Å; L96-A100 HydrophobicContact CD2-CB 3.79Å; Q97-A100 WeakPolarHBondContact O-CB 3.35Å; Q97-A100 PolarHBondContact O-N 3.31Å; A98-A100 VanDerWaalsContact C-N 3.33Å
101K87.5Confident85.9Confident126 Ų12643.2 Ų43.255%0.54823%0.228SC..  trans-88.6116.5170-60.9-176-180-172.30109.6P78 D99P78-K101 WeakPolarHBondContact CD-O 3.31Å; D99-K101 PolarHBondContact O-N 2.96Å
102L90Very high85.9Confident2 Ų244.6 Ų44.61%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-104.8157.6177-59.5-179.6000111L14 S15 I16 H17 W76 W77 L84 L96L14-L102 HydrophobicContact CD1-CD1 4.08Å; L14-L102 HydrophobicContact CD1-CG 4.23Å; L14-L102 HydrophobicContact CD2-CD1 3.9Å; L14-L102 HydrophobicContact CG-CD1 4.35Å; S15-L102 PolarHBondContact O-N 3.23Å; S15-L102 VanDerWaalsContact O-N 3.12Å; I16-L102 WeakPolarHBondContact CA-O 3.4Å; I16-L102 HydrophobicContact CG1-CB 4.19Å; I16-L102 HydrophobicContact CG2-CB 4.22Å; H17-L102 PolarHBondContact N-O 3.43Å; W76-L102 WeakPolarHBondContact O-CA 3.47Å; W77-L102 HydrophobicContact CB-CD2 3.59Å; W77-L102 HydrophobicContact CD2-CD2 4.34Å; W77-L102 HydrophobicContact CG-CD2 3.65Å; L84-L102 HydrophobicContact CD1-CD1 4.04Å; L84-L102 HydrophobicContact CD1-CD2 4.03Å; L96-L102 HydrophobicContact CD1-CD1 4.38Å; L96-L102 HydrophobicContact CD2-CD1 4.49Å; L96-L102 HydrophobicContact CD2-CD2 3.92Å
103R86.4Confident85.8Confident46 Ų4640 Ų4017%0.17421%0.21CC..EExtended strand (participates in β ladder)trans-122142.2170.6-64-167.4175.2-159.32.6110.3H17 D19 L75 W76 P78 L105 S341H17-R103 HydrophobicContact CB-CG 4.29Å; H17-R103 CarbonylContact O-C 3.51Å; H17-R103 VanDerWaalsContact O-CA 3.23Å; H17-R103 WeakPolarHBondContact O-CA 3.19Å; D19-R103 WeakPolarHBondContact OD1-CD 3.43Å; D19-R103 IonicContact OD1-NH1 3.64Å; D19-R103 IonicContact OD2-CZ 3.48Å; D19-R103 IonicContact OD2-NH1 3.7Å; D19-R103 PolarHBondContact OD2-NH1 2.87Å; L75-R103 WeakPolarHBondContact CA-O 3.29Å; W76-R103 HydrophobicContact CB-CB 4.42Å; W76-R103 PolarHBondContact N-O 3.31Å; W76-R103 PolarHBondContact O-N 3.33Å; P78-R103 HydrophobicContact CG-CG 3.99Å; R103-L105 HydrophobicContact CB-CD1 4.26Å; R103-L105 HydrophobicContact CB-CD2 4.24Å; R103-L105 HydrophobicContact CB-CG 4.04Å; R103-S341 PolarHBondContact NH1-O 3.31Å; R103-S341 PolarHBondContact NH2-O 3.32Å; R103-S341 VanDerWaalsContact NH2-O 3.11Å
104F87.6Confident85.8Confident0 Ų033.6 Ų33.60%018%0.18CC..EExtended strand (participates in β ladder)trans-107.8107.1174.9-168.7-124.8000108.6I16 H17 I18 I39 L42 I43 W70 Y73 L75I16-F104 HydrophobicContact CG2-CB 4.17Å; H17-F104 PolarHBondContact O-N 3.4Å; I18-F104 HydrophobicContact CG1-CB 4.17Å; I18-F104 HydrophobicContact CG1-CD1 4.39Å; I18-F104 HydrophobicContact CG2-CD1 4.34Å; I39-F104 HydrophobicContact CG1-CE2 4.4Å; I39-F104 HydrophobicContact CG2-CE2 4.46Å; I39-F104 HydrophobicContact CG2-CZ 4.38Å; L42-F104 HydrophobicContact CD1-CB 4.35Å; L42-F104 HydrophobicContact CD1-CG 4.33Å; L42-F104 HydrophobicContact CD2-CD1 3.64Å; L42-F104 HydrophobicContact CD2-CE1 3.76Å; L42-F104 HydrophobicContact CD2-CG 4.19Å; L42-F104 HydrophobicContact CD2-CZ 4.41Å; I43-F104 HydrophobicContact CD1-CZ 4.39Å; I43-F104 HydrophobicContact CG1-CE1 4.46Å; I43-F104 HydrophobicContact CG1-CZ 4.41Å; W70-F104 AromaticContact CE3-CE1 3.57Å; W70-F104 HydrophobicContact CE3-CE1 3.57Å; W70-F104 HydrophobicContact CE3-CZ 4.21Å; W70-F104 HydrophobicContact CZ3-CD1 4.2Å; W70-F104 AromaticContact CZ3-CE1 3.57Å; W70-F104 HydrophobicContact CZ3-CE1 3.57Å; Y73-F104 HydrophobicContact CD1-CD1 4.02Å; Y73-F104 AromaticContact CD1-CE1 3.88Å; Y73-F104 HydrophobicContact CD1-CE1 3.88Å; Y73-F104 HydrophobicContact CD1-CZ 4.3Å; Y73-F104 AromaticContact CG-CE1 3.95Å; Y73-F104 HydrophobicContact CG-CE1 3.95Å; Y73-F104 AromaticContact CG-CZ 4Å; Y73-F104 HydrophobicContact CG-CZ 4Å; L75-F104 HydrophobicContact CD2-CB 4.21Å; L75-F104 HydrophobicContact CD2-CD2 3.76Å; L75-F104 HydrophobicContact CD2-CG 4.41Å; L75-F104 HydrophobicContact CG-CD2 4.09Å
105L84.2Confident86Confident7 Ų732.4 Ų32.44%0.03718%0.176CC..EExtended strand (participates in β ladder)trans-122148.9-168.1-58.3174.9000110.2D19 Y73 G74 W76 W83 R103 I107 L331 M337 Y340D19-L105 HydrophobicContact CB-CD2 3.52Å; D19-L105 WeakPolarHBondContact OD1-CD2 3.34Å; D19-L105 WeakPolarHBondContact OD2-CD2 3.48Å; Y73-L105 CarbonylContact C-O 3.55Å; Y73-L105 WeakPolarHBondContact CA-O 3.4Å; G74-L105 PolarHBondContact N-O 3.4Å; G74-L105 PolarHBondContact O-N 3.23Å; W76-L105 HydrophobicContact CB-CD1 3.71Å; W76-L105 HydrophobicContact CB-CG 4.37Å; W76-L105 HydrophobicContact CG-CD1 3.97Å; W83-L105 HydrophobicContact CH2-CB 4.17Å; W83-L105 HydrophobicContact CH2-CD1 4.4Å; W83-L105 HydrophobicContact CZ3-CB 4.44Å; R103-L105 HydrophobicContact CB-CD1 4.26Å; R103-L105 HydrophobicContact CB-CD2 4.24Å; R103-L105 HydrophobicContact CB-CG 4.04Å; L105-I107 PolarHBondContact O-N 3.39Å; L105-L331 HydrophobicContact CD1-CD2 4.04Å; L105-M337 HydrophobicContact CB-CE 3.97Å; L105-M337 HydrophobicContact CD1-CE 3.63Å; L105-M337 HydrophobicContact CG-CE 4.3Å; L105-Y340 HydrophobicContact CD1-CE2 4.29Å
106S82.6Confident85.9Confident28 Ų2831 Ų3120%0.19616%0.161CC..EExtended strand (participates in β ladder)trans-59.6131.1161.1173.90000109Y108S106-Y108 PolarHBondContact O-N 3.15Å; S106-Y108 PolarHBondContact OG-N 3.07Å; S106-Y108 PolarHBondContact OG-O 3.5Å
107I84Confident85.7Confident19 Ų1931 Ų3110%0.09716%0.161CC..SBendtrans-68.5-26.5174.5-65.3167.9000110.3D72 W83 L85 L105 N127 F128 A129D72-I107 VanDerWaalsContact O-CB 3.3Å; D72-I107 WeakPolarHBondContact O-CB 3.34Å; D72-I107 WeakPolarHBondContact O-CG1 3.48Å; D72-I107 PolarHBondContact O-N 3.4Å; W83-I107 HydrophobicContact CZ3-CG1 4.42Å; L85-I107 HydrophobicContact CD2-CD1 4.34Å; L105-I107 PolarHBondContact O-N 3.39Å; I107-N127 WeakPolarHBondContact CG2-OD1 3.04Å; I107-F128 PolarHBondContact O-N 3.09Å; I107-A129 HydrophobicContact CG2-CB 3.66Å
108Y83.1Confident85.6Confident36 Ų3625.2 Ų25.214%0.14113%0.134CC..EExtended strand (participates in β ladder)trans-95.6135-179.8-57.7-77.4000111R62 D72 S106 D125 V126 N127R62-Y108 VanDerWaalsContact CZ-CE2 3.49Å; R62-Y108 VanDerWaalsContact CZ-OH 3.29Å; R62-Y108 PolarHBondContact NH2-OH 2.72Å; D72-Y108 HydrophobicContact CB-CD2 3.78Å; D72-Y108 HydrophobicContact CB-CE2 3.77Å; D72-Y108 VanDerWaalsContact OD1-CE2 3.23Å; D72-Y108 WeakPolarHBondContact OD1-CE2 3.4Å; S106-Y108 PolarHBondContact O-N 3.15Å; S106-Y108 PolarHBondContact OG-N 3.07Å; S106-Y108 PolarHBondContact OG-O 3.5Å; Y108-D125 HydrophobicContact CD1-CB 4.45Å; Y108-D125 WeakPolarHBondContact CD1-O 3.35Å; Y108-V126 VanDerWaalsContact CA-O 3.32Å; Y108-V126 WeakPolarHBondContact CA-O 3.44Å; Y108-N127 HydrophobicContact CD1-CB 4.3Å; Y108-N127 HydrophobicContact CE1-CB 3.82Å
109G80.3Confident85.5Confident10 Ų1024.8 Ų24.810%0.10312%0.124CC..EExtended strand (participates in β ladder)trans-144.4177.8174.500000112.2V126G109-V126 PolarHBondContact N-O 3.18Å; G109-V126 PolarHBondContact O-N 2.68Å
110N83.1Confident85.4Confident44 Ų4423.3 Ų23.324%0.23512%0.115CC..EExtended strand (participates in β ladder)trans-91.1141.2177.7-63.521.4000110.1E122 F123 I367N110-E122 PolarHBondContact ND2-OE1 3.24Å; N110-E122 VanDerWaalsContact ND2-OE1 3.12Å; N110-F123 WeakPolarHBondContact CA-O 3.12Å; N110-I367 HydrophobicContact CB-CG2 4.24Å
111L85.2Confident85.2Confident0 Ų024.2 Ų24.20%012%0.118CC..EExtended strand (participates in β ladder)trans-139.7126.9178.6-175.966.8000110I113 F123 V126 L330 P368 L370L111-I113 HydrophobicContact CD2-CD1 3.97Å; L111-I113 HydrophobicContact CD2-CG1 3.96Å; L111-I113 HydrophobicContact CG-CD1 4.48Å; L111-I113 HydrophobicContact CG-CG1 3.99Å; L111-F123 PolarHBondContact N-O 3.48Å; L111-F123 PolarHBondContact O-N 3.28Å; L111-V126 HydrophobicContact CB-CB 4.27Å; L111-V126 HydrophobicContact CB-CG2 3.76Å; L111-V126 HydrophobicContact CD2-CG1 4.15Å; L111-V126 HydrophobicContact CD2-CG2 4.45Å; L111-L330 HydrophobicContact CD2-CD1 4.18Å; L111-P368 HydrophobicContact CD1-CB 4.27Å; L111-P368 HydrophobicContact CD1-CG 3.93Å; L111-L370 HydrophobicContact CD1-CD1 3.71Å; L111-L370 HydrophobicContact CD1-CG 3.91Å; L111-L370 HydrophobicContact CD2-CD1 3.96Å; L111-L370 HydrophobicContact CG-CD1 4.36Å
112N88.2Confident84.9Confident28 Ų2820.7 Ų20.715%0.1510%0.104CC..EExtended strand (participates in β ladder)trans-86.1129.2170-73.3-17.8000109.3I120 E122 I367 P368 T369 L370N112-I120 HydrophobicContact CB-CG2 3.94Å; N112-E122 WeakPolarHBondContact OD1-CB 3.46Å; N112-I367 HydrophobicContact CB-CG2 4.29Å; N112-P368 PolarHBondContact N-O 3.38Å; N112-T369 HydrophobicContact CB-CG2 4.13Å; N112-T369 WeakPolarHBondContact CB-OG1 3.39Å; N112-T369 CarbonylContact O-C 3.56Å; N112-T369 VanDerWaalsContact O-CA 3.31Å; N112-T369 WeakPolarHBondContact O-CA 3.39Å; N112-L370 PolarHBondContact O-N 3.46Å
113I87.8Confident84.5Confident0 Ų020.6 Ų20.60%010%0.103CC..EExtended strand (participates in β ladder)trans-120.9119.7178.9-56.2-175.8000108.8L111 L115 I120 R121 F123 I139 L370 L372L111-I113 HydrophobicContact CD2-CD1 3.97Å; L111-I113 HydrophobicContact CD2-CG1 3.96Å; L111-I113 HydrophobicContact CG-CD1 4.48Å; L111-I113 HydrophobicContact CG-CG1 3.99Å; I113-L115 PolarHBondContact O-N 2.76Å; I113-I120 WeakPolarHBondContact O-CA 3.33Å; I113-R121 PolarHBondContact N-O 3.2Å; I113-R121 PolarHBondContact O-N 2.93Å; I113-F123 HydrophobicContact CB-CD2 3.86Å; I113-F123 HydrophobicContact CB-CE2 3.78Å; I113-F123 HydrophobicContact CD1-CD2 3.46Å; I113-F123 VanDerWaalsContact CD1-CD2 3.46Å; I113-F123 HydrophobicContact CD1-CE2 3.73Å; I113-F123 HydrophobicContact CD1-CG 4.2Å; I113-F123 HydrophobicContact CG1-CD2 3.65Å; I113-F123 HydrophobicContact CG1-CE2 4.02Å; I113-F123 HydrophobicContact CG2-CE2 4.47Å; I113-I139 HydrophobicContact CD1-CB 4.49Å; I113-I139 HydrophobicContact CD1-CD1 3.26Å; I113-I139 HydrophobicContact CD1-CG1 3.75Å; I113-I139 HydrophobicContact CD1-CG2 3.95Å; I113-L370 CarbonylContact C-O 3.51Å; I113-L370 WeakPolarHBondContact CA-O 3.47Å; I113-L372 HydrophobicContact CG2-CB 3.61Å
114Q88.6Confident83.6Confident1 Ų118.8 Ų18.81%0.00510%0.097CC..EExtended strand (participates in β ladder)trans-78.8113.8167.1-172.6-1744.300108.6L118 Q119 I120 L156 L370 M371 L372Q114-L118 VanDerWaalsContact NE2-CD2 3.34Å; Q114-Q119 WeakPolarHBondContact CA-O 3.27Å; Q114-I120 HydrophobicContact CB-CG1 4.35Å; Q114-I120 HydrophobicContact CG-CG1 4.43Å; Q114-L156 VanDerWaalsContact OE1-CD1 3.27Å; Q114-L370 PolarHBondContact N-O 3.36Å; Q114-M371 HydrophobicContact CB-CG 4.25Å; Q114-M371 PolarHBondContact OE1-SD 3.12Å; Q114-L372 PolarHBondContact O-N 3.09Å
115L88.2Confident83Confident1 Ų121.1 Ų21.11%0.00511%0.11CC..  trans-72.3164.9174.2-69.9-178.2000111.5I113 D117 L118 Q119 R121 L143 L290 L372I113-L115 PolarHBondContact O-N 2.76Å; L115-D117 WeakPolarHBondContact CB-OD1 3.24Å; L115-D117 PolarHBondContact O-N 2.93Å; L115-D117 VanDerWaalsContact O-N 3.16Å; L115-L118 PolarHBondContact O-N 2.97Å; L115-Q119 PolarHBondContact N-O 3.45Å; L115-R121 HydrophobicContact CD1-CG 4.12Å; L115-L143 HydrophobicContact CD2-CD1 3.53Å; L115-L143 HydrophobicContact CD2-CD2 4.49Å; L115-L290 HydrophobicContact CD1-CD2 3.59Å; L115-L372 HydrophobicContact CD2-CD2 4.01Å
116P85.6Confident82.8Confident0 Ų020.9 Ų20.90%011%0.108CC..THydrogen-bonded Turntrans-51.3-34.6174.4-33.839.4000115.6L118 L372 R373 Y374 Q393 Q397P116-L118 PolarHBondContact O-N 2.96Å; P116-L372 WeakPolarHBondContact CD-O 3.36Å; P116-L372 WeakPolarHBondContact CG-O 3.45Å; P116-R373 PolarHBondContact O-NH1 3.37Å; P116-Y374 HydrophobicContact CG-CE2 4.33Å; P116-Q393 HydrophobicContact CB-CB 4.25Å; P116-Q393 VanDerWaalsContact CB-O 3.23Å; P116-Q393 WeakPolarHBondContact CB-O 3.31Å; P116-Q393 HydrophobicContact CG-CB 4.19Å; P116-Q397 HydrophobicContact CB-CB 4.11Å
117D84.8Confident83Confident4 Ų420.5 Ų20.52%0.02110%0.104CC..THydrogen-bonded Turntrans-74.96176.866.39000115.4L115 Q119 Q393 E396L115-D117 WeakPolarHBondContact CB-OD1 3.24Å; L115-D117 PolarHBondContact O-N 2.93Å; L115-D117 VanDerWaalsContact O-N 3.16Å; D117-Q119 PolarHBondContact O-N 3.47Å; D117-Q119 WeakPolarHBondContact OD1-CB 3.2Å; D117-Q119 WeakPolarHBondContact OD1-CG 3.35Å; D117-Q119 PolarHBondContact OD1-N 3.27Å; D117-Q119 PolarHBondContact OD2-NE2 3.4Å; D117-Q393 PolarHBondContact OD2-NE2 2.89Å; D117-E396 HydrophobicContact CB-CB 4.1Å; D117-E396 HydrophobicContact CB-CG 3.88Å
118L82.1Confident83.1Confident6 Ų619.6 Ų19.63%0.03110%0.099CC..SBendtrans68.73.6-175.8-46.9179.8000115.4Q114 L115 P116 A301 L306 I307 W400Q114-L118 VanDerWaalsContact NE2-CD2 3.34Å; L115-L118 PolarHBondContact O-N 2.97Å; P116-L118 PolarHBondContact O-N 2.96Å; L118-A301 HydrophobicContact CD1-CB 3.88Å; L118-L306 HydrophobicContact CB-CD1 4.36Å; L118-L306 HydrophobicContact CD1-CB 4.43Å; L118-L306 HydrophobicContact CD2-CB 4.43Å; L118-I307 HydrophobicContact CD1-CD1 4.14Å; L118-I307 HydrophobicContact CD1-CG1 4.1Å; L118-W400 HydrophobicContact CD1-CD2 3.74Å; L118-W400 HydrophobicContact CD1-CE3 4.13Å; L118-W400 HydrophobicContact CD1-CG 4.37Å; L118-W400 HydrophobicContact CD1-CH2 3.79Å; L118-W400 HydrophobicContact CD1-CZ2 3.38Å; L118-W400 HydrophobicContact CD1-CZ3 4.16Å; L118-W400 HydrophobicContact CD2-CG 4.45Å; L118-W400 HydrophobicContact CG-CD2 4.2Å; L118-W400 HydrophobicContact CG-CG 4.36Å; L118-W400 HydrophobicContact CG-CZ2 4.14Å
119Q83.9Confident83.2Confident37 Ų3718.2 Ų18.217%0.17310%0.096CC..  trans-71.5136.5170-61.2-179.448.700109.6Q114 L115 D117 P294Q114-Q119 WeakPolarHBondContact CA-O 3.27Å; L115-Q119 PolarHBondContact N-O 3.45Å; D117-Q119 PolarHBondContact O-N 3.47Å; D117-Q119 WeakPolarHBondContact OD1-CB 3.2Å; D117-Q119 WeakPolarHBondContact OD1-CG 3.35Å; D117-Q119 PolarHBondContact OD1-N 3.27Å; D117-Q119 PolarHBondContact OD2-NE2 3.4Å; Q119-P294 HydrophobicContact CG-CG 4.27Å
120I83.6Confident83.6Confident90 Ų9020.5 Ų20.546%0.46210%0.103SC..EExtended strand (participates in β ladder)trans-96.4123.2171.1-59.7172.3000107.2N112 I113 Q114N112-I120 HydrophobicContact CB-CG2 3.94Å; I113-I120 WeakPolarHBondContact O-CA 3.33Å; Q114-I120 HydrophobicContact CB-CG1 4.35Å; Q114-I120 HydrophobicContact CG-CG1 4.43Å
121R81.8Confident83.9Confident23 Ų2318.8 Ų18.89%0.08710%0.095CC..EExtended strand (participates in β ladder)trans-113.1132.8173.5-66.7-165.5171.7-143-11.1109.9I113 L115 F123 D287 T289 L290I113-R121 PolarHBondContact N-O 3.2Å; I113-R121 PolarHBondContact O-N 2.93Å; L115-R121 HydrophobicContact CD1-CG 4.12Å; R121-F123 HydrophobicContact CB-CD2 4.41Å; R121-F123 HydrophobicContact CB-CE2 3.86Å; R121-F123 HydrophobicContact CB-CZ 4.43Å; R121-D287 IonicContact CZ-OD2 3.1Å; R121-D287 IonicContact NH1-OD2 3.65Å; R121-D287 PolarHBondContact NH1-OD2 3.22Å; R121-D287 IonicContact NH2-OD2 2.73Å; R121-D287 PolarHBondContact NH2-OD2 3.45Å; R121-T289 PolarHBondContact NH2-OG1 3.37Å; R121-L290 VanDerWaalsContact CZ-CD2 3.49Å
122E82.2Confident84.1Confident53 Ų5318.8 Ų18.825%0.24810%0.095CC..EExtended strand (participates in β ladder)trans-85.9115.3173.6-176.4171.4-175.400109I59 N110 N112 V124 I367I59-E122 PolarHBondContact N-O 3.28Å; N110-E122 PolarHBondContact ND2-OE1 3.24Å; N110-E122 VanDerWaalsContact ND2-OE1 3.12Å; N112-E122 WeakPolarHBondContact OD1-CB 3.46Å; E122-V124 HydrophobicContact CG-CG2 4.35Å; E122-I367 WeakPolarHBondContact OE1-CD1 3.41Å
123F80.1Confident84.3Confident0 Ų017.8 Ų17.80%09%0.089CC..EExtended strand (participates in β ladder)trans-97.7124.8170.6-68.9-88.9000108.7I59 L61 N110 L111 I113 R121 V126 I139 Y142 L143I59-F123 HydrophobicContact CB-CD1 4.38Å; I59-F123 HydrophobicContact CG2-CD1 3.8Å; I59-F123 HydrophobicContact CG2-CE1 3.99Å; L61-F123 HydrophobicContact CD1-CB 4.49Å; L61-F123 HydrophobicContact CD1-CD1 4.36Å; L61-F123 HydrophobicContact CD2-CD1 3.64Å; L61-F123 HydrophobicContact CD2-CE1 4.04Å; L61-F123 HydrophobicContact CG-CD1 4.01Å; N110-F123 WeakPolarHBondContact CA-O 3.12Å; L111-F123 PolarHBondContact N-O 3.48Å; L111-F123 PolarHBondContact O-N 3.28Å; I113-F123 HydrophobicContact CB-CD2 3.86Å; I113-F123 HydrophobicContact CB-CE2 3.78Å; I113-F123 HydrophobicContact CD1-CD2 3.46Å; I113-F123 VanDerWaalsContact CD1-CD2 3.46Å; I113-F123 HydrophobicContact CD1-CE2 3.73Å; I113-F123 HydrophobicContact CD1-CG 4.2Å; I113-F123 HydrophobicContact CG1-CD2 3.65Å; I113-F123 HydrophobicContact CG1-CE2 4.02Å; I113-F123 HydrophobicContact CG2-CE2 4.47Å; R121-F123 HydrophobicContact CB-CD2 4.41Å; R121-F123 HydrophobicContact CB-CE2 3.86Å; R121-F123 HydrophobicContact CB-CZ 4.43Å; F123-V126 HydrophobicContact CB-CG2 3.7Å; F123-I139 HydrophobicContact CE1-CG2 4.25Å; F123-I139 HydrophobicContact CE2-CG2 4.24Å; F123-I139 HydrophobicContact CZ-CG2 3.87Å; F123-Y142 AromaticContact CE1-CD1 3.82Å; F123-Y142 HydrophobicContact CE1-CD1 3.82Å; F123-Y142 HydrophobicContact CE1-CE1 4.45Å; F123-Y142 HydrophobicContact CE1-CG 4.37Å; F123-L143 HydrophobicContact CZ-CD1 4.25Å; F123-L143 HydrophobicContact CZ-CD2 4.07Å; F123-L143 HydrophobicContact CZ-CG 4.17Å
124V69.1Low84.3Confident7 Ų722.7 Ų22.74%0.04211%0.107CC..EExtended strand (participates in β ladder)trans-99.6151.2172.4-178.30000108.7L54 E58 I59 S60 L61 E122L54-V124 HydrophobicContact CD1-CG1 3.88Å; E58-V124 HydrophobicContact CB-CB 4.45Å; E58-V124 HydrophobicContact CB-CG2 3.55Å; E58-V124 HydrophobicContact CG-CG2 3.62Å; I59-V124 PolarHBondContact O-N 2.95Å; S60-V124 WeakPolarHBondContact CA-O 3.31Å; L61-V124 PolarHBondContact N-O 3.47Å; E122-V124 HydrophobicContact CG-CG2 4.35Å
125D73.8Confident84.3Confident50 Ų5022.8 Ų22.827%0.26711%0.108SC..EExtended strand (participates in β ladder)trans63.539.3-177.4-53.9-42.5000114.9S60 R62 Y108S60-D125 WeakPolarHBondContact CB-OD2 3.47Å; S60-D125 PolarHBondContact OG-OD2 2.92Å; R62-D125 HydrophobicContact CB-CB 4.39Å; R62-D125 HydrophobicContact CG-CB 4.21Å; Y108-D125 HydrophobicContact CD1-CB 4.45Å; Y108-D125 WeakPolarHBondContact CD1-O 3.35Å
126V81.2Confident84.4Confident1 Ų122.8 Ų22.81%0.00611%0.108CC..EExtended strand (participates in β ladder)trans-76.9130.9171.5-172.40000109.8L61 Y108 G109 L111 F123 F128 V135 L330L61-V126 HydrophobicContact CD1-CB 4.48Å; L61-V126 HydrophobicContact CD1-CG2 3.83Å; Y108-V126 VanDerWaalsContact CA-O 3.32Å; Y108-V126 WeakPolarHBondContact CA-O 3.44Å; G109-V126 PolarHBondContact N-O 3.18Å; G109-V126 PolarHBondContact O-N 2.68Å; L111-V126 HydrophobicContact CB-CB 4.27Å; L111-V126 HydrophobicContact CB-CG2 3.76Å; L111-V126 HydrophobicContact CD2-CG1 4.15Å; L111-V126 HydrophobicContact CD2-CG2 4.45Å; F123-V126 HydrophobicContact CB-CG2 3.7Å; V126-F128 HydrophobicContact CB-CE2 4.33Å; V126-F128 WeakPolarHBondContact O-CD2 3.47Å; V126-F128 PolarHBondContact O-N 3.33Å; V126-V135 HydrophobicContact CG1-CG1 3.56Å; V126-L330 HydrophobicContact CG1-CD1 4.29Å
127N85.6Confident84.6Confident21 Ų2122.9 Ų22.911%0.11211%0.109CC..EExtended strand (participates in β ladder)trans-75.2110176.9-171.3-23.4000110.9I107 Y108 A129 E130 V135I107-N127 WeakPolarHBondContact CG2-OD1 3.04Å; Y108-N127 HydrophobicContact CD1-CB 4.3Å; Y108-N127 HydrophobicContact CE1-CB 3.82Å; N127-A129 PolarHBondContact OD1-N 3.36Å; N127-E130 HydrophobicContact CB-CB 4.19Å; N127-E130 HydrophobicContact CB-CG 4.39Å; N127-E130 VanDerWaalsContact ND2-CG 3.27Å; N127-E130 WeakPolarHBondContact ND2-CG 3.47Å; N127-E130 PolarHBondContact ND2-OE1 3.32Å; N127-E130 PolarHBondContact OD1-N 2.88Å; N127-E130 VanDerWaalsContact OD1-N 3.08Å; N127-V135 VanDerWaalsContact O-CG2 3.27Å; N127-V135 WeakPolarHBondContact O-CG2 3.19Å
128F86.2Confident84.6Confident0 Ų024.9 Ų24.90%012%0.123CC..SBendtrans-82.1-10.3178.6-84.2-104.3000114.2W83 I107 V126 S329 L330 I335 M337 P368W83-F128 HydrophobicContact CZ2-CB 4.4Å; W83-F128 PolarHBondContact NE1-O 3.07Å; I107-F128 PolarHBondContact O-N 3.09Å; V126-F128 HydrophobicContact CB-CE2 4.33Å; V126-F128 WeakPolarHBondContact O-CD2 3.47Å; V126-F128 PolarHBondContact O-N 3.33Å; F128-S329 WeakPolarHBondContact O-CB 3.28Å; F128-L330 HydrophobicContact CD1-CB 3.75Å; F128-L330 HydrophobicContact CD1-CD1 4.26Å; F128-L330 HydrophobicContact CE1-CB 4.2Å; F128-L330 HydrophobicContact CE1-CD1 4.3Å; F128-L330 HydrophobicContact CG-CB 4.44Å; F128-I335 HydrophobicContact CE1-CG2 4.13Å; F128-M337 HydrophobicContact CB-CG 4.26Å; F128-M337 HydrophobicContact CB-SD 3.77Å; F128-M337 HydrophobicContact CD1-CG 3.46Å; F128-M337 VanDerWaalsContact CD1-CG 3.46Å; F128-M337 HydrophobicContact CD1-SD 4.14Å; F128-M337 HydrophobicContact CD2-CG 3.79Å; F128-M337 HydrophobicContact CD2-SD 3.94Å; F128-M337 HydrophobicContact CE1-CG 3.6Å; F128-M337 HydrophobicContact CE2-CG 3.95Å; F128-M337 HydrophobicContact CG-CG 3.56Å; F128-M337 HydrophobicContact CG-SD 3.69Å; F128-M337 HydrophobicContact CZ-CG 3.86Å; F128-P368 HydrophobicContact CZ-CG 4.46Å
129A86.7Confident84.9Confident7 Ų724.6 Ų24.66%0.05812%0.121CC..SBendtrans-94.9-19178.400000113.2W83 L85 I107 N127W83-A129 HydrophobicContact CD2-CB 3.82Å; W83-A129 HydrophobicContact CE3-CB 4.39Å; W83-A129 HydrophobicContact CG-CB 3.97Å; W83-A129 HydrophobicContact CZ2-CB 4.19Å; L85-A129 HydrophobicContact CD1-CB 4.07Å; L85-A129 HydrophobicContact CD2-CB 4.2Å; I107-A129 HydrophobicContact CG2-CB 3.66Å; N127-A129 PolarHBondContact OD1-N 3.36Å
130E87Confident85.1Confident57 Ų5722.8 Ų22.827%0.26611%0.113SC..SBendtrans-73.8150173.4-89.8177.6-148.400112.3N127 R134 V135 S329N127-E130 HydrophobicContact CB-CB 4.19Å; N127-E130 HydrophobicContact CB-CG 4.39Å; N127-E130 VanDerWaalsContact ND2-CG 3.27Å; N127-E130 WeakPolarHBondContact ND2-CG 3.47Å; N127-E130 PolarHBondContact ND2-OE1 3.32Å; N127-E130 PolarHBondContact OD1-N 2.88Å; N127-E130 VanDerWaalsContact OD1-N 3.08Å; E130-R134 HydrophobicContact CB-CB 4.36Å; E130-R134 WeakPolarHBondContact OE2-CB 3.4Å; E130-V135 HydrophobicContact CB-CG2 4.07Å; E130-S329 WeakPolarHBondContact O-CA 3.44Å
131P89.6Confident85.1Confident9 Ų926.7 Ų26.76%0.05812%0.122CC..BIsolated β-bridgetrans-62.5145.817527.5-34.6000110.5F133 R134 V135 K328 Y1131 P1140P131-F133 PolarHBondContact O-N 2.85Å; P131-R134 HydrophobicContact CG-CB 4.23Å; P131-R134 HydrophobicContact CG-CG 4.08Å; P131-R134 PolarHBondContact O-N 3.32Å; P131-V135 PolarHBondContact O-N 3.13Å; P131-V135 VanDerWaalsContact O-N 3.16Å; P131-K328 WeakPolarHBondContact CA-O 3.26Å; P131-Y1131 WeakPolarHBondContact CG-OH 3.44Å; P131-P1140 HydrophobicContact CG-CG 4.37Å
132V91.1Very high85.1Confident0 Ų030.5 Ų30.50%014%0.137CC..Hα-helixtrans-51.4-33.7-177.9165.50000112.8R134 V135 T136 L153 L324 K328 L330V132-R134 PolarHBondContact O-N 3.49Å; V132-V135 PolarHBondContact O-N 3.36Å; V132-T136 WeakPolarHBondContact O-CB 3.4Å; V132-T136 PolarHBondContact O-N 3.31Å; V132-T136 PolarHBondContact O-OG1 2.63Å; V132-L153 HydrophobicContact CG1-CB 4.05Å; V132-L153 HydrophobicContact CG1-CD1 4.24Å; V132-L153 HydrophobicContact CG1-CG 4.37Å; V132-L324 HydrophobicContact CG1-CB 4.13Å; V132-L324 HydrophobicContact CG2-CB 4.25Å; V132-L324 HydrophobicContact CG2-CD1 4.32Å; V132-K328 WeakPolarHBondContact CG2-O 3.48Å; V132-K328 PolarHBondContact N-O 3.44Å; V132-L330 HydrophobicContact CG2-CD2 3.62Å; V132-L330 HydrophobicContact CG2-CG 4.14Å
133F90.6Very high85.1Confident6 Ų628.1 Ų28.13%0.02613%0.126CC..Hα-helixtrans-54.9-51.9172.9-171.3-110.1000112.4P131 T136 L137 E149 S326 L1125 E1127 F1130P131-F133 PolarHBondContact O-N 2.85Å; F133-T136 WeakPolarHBondContact O-CB 3.5Å; F133-T136 PolarHBondContact O-N 2.82Å; F133-L137 HydrophobicContact CD1-CD1 4.25Å; F133-L137 HydrophobicContact CD1-CG 4.48Å; F133-L137 HydrophobicContact CE1-CD1 4.03Å; F133-L137 HydrophobicContact CE1-CD2 4.36Å; F133-L137 HydrophobicContact CE1-CG 4.36Å; F133-L137 HydrophobicContact CZ-CD2 4.34Å; F133-L137 WeakPolarHBondContact O-CG 3.15Å; F133-L137 PolarHBondContact O-N 3.11Å; F133-E149 HydrophobicContact CE2-CB 4.33Å; F133-E149 HydrophobicContact CZ-CB 4.43Å; F133-S326 WeakPolarHBondContact CB-O 3.3Å; F133-S326 PolarHBondContact N-O 2.97Å; F133-S326 VanDerWaalsContact N-O 3.15Å; F133-L1125 HydrophobicContact CZ-CD2 4.2Å; F133-E1127 HydrophobicContact CE1-CG 4.21Å; F133-F1130 HydrophobicContact CB-CE1 4.42Å; F133-F1130 HydrophobicContact CD1-CD1 4.47Å; F133-F1130 HydrophobicContact CD2-CD1 4.16Å; F133-F1130 AromaticContact CD2-CE1 3.76Å; F133-F1130 HydrophobicContact CD2-CE1 3.76Å; F133-F1130 HydrophobicContact CD2-CZ 4.01Å; F133-F1130 HydrophobicContact CE2-CD1 4.28Å; F133-F1130 HydrophobicContact CE2-CD2 4.49Å; F133-F1130 HydrophobicContact CE2-CE1 4.17Å; F133-F1130 HydrophobicContact CE2-CE2 4.38Å; F133-F1130 HydrophobicContact CE2-CG 4.44Å; F133-F1130 HydrophobicContact CE2-CZ 4.22Å; F133-F1130 HydrophobicContact CG-CD1 4.26Å; F133-F1130 HydrophobicContact CG-CE1 4.06Å; F133-F1130 HydrophobicContact CZ-CD1 4.49Å; F133-F1130 HydrophobicContact CZ-CG 4.49Å
134R88.6Confident85.2Confident103 Ų10332.9 Ų32.939%0.38915%0.152SC..Hα-helixtrans-69.9-34.7-179.9-76.2-168.5174.3176.62.8113.3E130 P131 V132 T136 L137 S138 E1127E130-R134 HydrophobicContact CB-CB 4.36Å; E130-R134 WeakPolarHBondContact OE2-CB 3.4Å; P131-R134 HydrophobicContact CG-CB 4.23Å; P131-R134 HydrophobicContact CG-CG 4.08Å; P131-R134 PolarHBondContact O-N 3.32Å; V132-R134 PolarHBondContact O-N 3.49Å; R134-T136 VanDerWaalsContact C-N 3.3Å; R134-T136 PolarHBondContact O-N 3.1Å; R134-L137 HydrophobicContact CG-CD1 4.48Å; R134-L137 WeakPolarHBondContact O-CB 3.36Å; R134-L137 PolarHBondContact O-N 3.37Å; R134-S138 PolarHBondContact O-N 2.99Å; R134-S138 PolarHBondContact O-OG 3.46Å; R134-S138 VanDerWaalsContact O-OG 3.12Å; R134-E1127 IonicContact CZ-OE2 3.07Å; R134-E1127 IonicContact NE-OE1 3.81Å; R134-E1127 IonicContact NE-OE2 2.86Å; R134-E1127 PolarHBondContact NE-OE2 3.05Å; R134-E1127 IonicContact NH2-OE2 2.73Å; R134-E1127 PolarHBondContact NH2-OE2 3.34Å
135V89.2Confident86Confident3 Ų333 Ų332%0.01815%0.152CC..Hα-helixtrans-59.7-46.8172.5177.60000109.7V126 N127 E130 P131 V132 L137 S138 I139 L153 L330V126-V135 HydrophobicContact CG1-CG1 3.56Å; N127-V135 VanDerWaalsContact O-CG2 3.27Å; N127-V135 WeakPolarHBondContact O-CG2 3.19Å; E130-V135 HydrophobicContact CB-CG2 4.07Å; P131-V135 PolarHBondContact O-N 3.13Å; P131-V135 VanDerWaalsContact O-N 3.16Å; V132-V135 PolarHBondContact O-N 3.36Å; V135-L137 PolarHBondContact O-N 3.01Å; V135-S138 PolarHBondContact O-N 2.97Å; V135-S138 VanDerWaalsContact O-N 3.13Å; V135-I139 HydrophobicContact CG1-CD1 3.73Å; V135-I139 WeakPolarHBondContact O-CD1 3.43Å; V135-I139 WeakPolarHBondContact O-CG1 3.02Å; V135-I139 PolarHBondContact O-N 3.47Å; V135-L153 HydrophobicContact CG1-CD1 4.18Å; V135-L330 HydrophobicContact CG1-CD1 4.17Å; V135-L330 HydrophobicContact CG2-CD1 4.49Å
136T90.7Very high86.5Confident2 Ų232.7 Ų32.71%0.01215%0.147CC..Hα-helixtrans-60.3-42.7175.5-51.30000111.7V132 F133 R134 S138 I139 C140 L151 L372V132-T136 WeakPolarHBondContact O-CB 3.4Å; V132-T136 PolarHBondContact O-N 3.31Å; V132-T136 PolarHBondContact O-OG1 2.63Å; F133-T136 WeakPolarHBondContact O-CB 3.5Å; F133-T136 PolarHBondContact O-N 2.82Å; R134-T136 VanDerWaalsContact C-N 3.3Å; R134-T136 PolarHBondContact O-N 3.1Å; T136-S138 VanDerWaalsContact C-N 3.29Å; T136-S138 PolarHBondContact O-N 3.1Å; T136-I139 PolarHBondContact O-N 3.23Å; T136-C140 WeakPolarHBondContact O-CB 3.4Å; T136-C140 PolarHBondContact O-N 3.11Å; T136-C140 PolarHBondContact O-SG 2.7Å; T136-C140 VanDerWaalsContact O-SG 3.36Å; T136-L151 HydrophobicContact CG2-CB 4.17Å; T136-L372 HydrophobicContact CG2-CD1 3.98Å
137L89.2Confident86.7Confident2 Ų233.9 Ų33.91%0.0115%0.152CC..Hα-helixtrans-56.1-43.5174.2-63.3-178000111.9F133 R134 V135 R141 P148 L1125F133-L137 HydrophobicContact CD1-CD1 4.25Å; F133-L137 HydrophobicContact CD1-CG 4.48Å; F133-L137 HydrophobicContact CE1-CD1 4.03Å; F133-L137 HydrophobicContact CE1-CD2 4.36Å; F133-L137 HydrophobicContact CE1-CG 4.36Å; F133-L137 HydrophobicContact CZ-CD2 4.34Å; F133-L137 WeakPolarHBondContact O-CG 3.15Å; F133-L137 PolarHBondContact O-N 3.11Å; R134-L137 HydrophobicContact CG-CD1 4.48Å; R134-L137 WeakPolarHBondContact O-CB 3.36Å; R134-L137 PolarHBondContact O-N 3.37Å; V135-L137 PolarHBondContact O-N 3.01Å; L137-R141 WeakPolarHBondContact O-CB 3.4Å; L137-R141 VanDerWaalsContact O-CG 3.23Å; L137-R141 WeakPolarHBondContact O-CG 3.38Å; L137-R141 PolarHBondContact O-N 3.02Å; L137-P148 HydrophobicContact CD2-CB 3.65Å; L137-P148 HydrophobicContact CD2-CG 3.16Å; L137-P148 HydrophobicContact CG-CG 4.47Å; L137-L1125 HydrophobicContact CD2-CD1 3.72Å
138S85.5Confident86.8Confident45 Ų4533.6 Ų33.632%0.31515%0.152SC..Hα-helixtrans-68.9-41.8-177.6-60.80000112R134 V135 T136 R141 Y142R134-S138 PolarHBondContact O-N 2.99Å; R134-S138 PolarHBondContact O-OG 3.46Å; R134-S138 VanDerWaalsContact O-OG 3.12Å; V135-S138 PolarHBondContact O-N 2.97Å; V135-S138 VanDerWaalsContact O-N 3.13Å; T136-S138 VanDerWaalsContact C-N 3.29Å; T136-S138 PolarHBondContact O-N 3.1Å; S138-R141 PolarHBondContact O-N 3.29Å; S138-Y142 PolarHBondContact O-N 3.35Å; S138-Y142 VanDerWaalsContact O-N 3.15Å
139I87.7Confident86.8Confident0 Ų033.9 Ų33.90%015%0.153CC..Hα-helixtrans-63.8-48.8175.8-65.7152.5000110.9L61 I113 F123 V135 T136 R141 Y142 L143 L153 L372L61-I139 HydrophobicContact CD1-CG1 4.22Å; I113-I139 HydrophobicContact CD1-CB 4.49Å; I113-I139 HydrophobicContact CD1-CD1 3.26Å; I113-I139 HydrophobicContact CD1-CG1 3.75Å; I113-I139 HydrophobicContact CD1-CG2 3.95Å; F123-I139 HydrophobicContact CE1-CG2 4.25Å; F123-I139 HydrophobicContact CE2-CG2 4.24Å; F123-I139 HydrophobicContact CZ-CG2 3.87Å; V135-I139 HydrophobicContact CG1-CD1 3.73Å; V135-I139 WeakPolarHBondContact O-CD1 3.43Å; V135-I139 WeakPolarHBondContact O-CG1 3.02Å; V135-I139 PolarHBondContact O-N 3.47Å; T136-I139 PolarHBondContact O-N 3.23Å; I139-R141 VanDerWaalsContact C-N 3.31Å; I139-R141 PolarHBondContact O-N 3.22Å; I139-Y142 WeakPolarHBondContact O-CB 3.41Å; I139-Y142 PolarHBondContact O-N 3.49Å; I139-Y142 VanDerWaalsContact O-N 3.14Å; I139-L143 HydrophobicContact CG2-CD1 3.82Å; I139-L143 HydrophobicContact CG2-CG 4.48Å; I139-L143 WeakPolarHBondContact O-CG 3.46Å; I139-L143 PolarHBondContact O-N 2.95Å; I139-L153 HydrophobicContact CD1-CD1 4.29Å; I139-L153 HydrophobicContact CD1-CD2 4.42Å; I139-L372 HydrophobicContact CG2-CD2 4.22Å
140C88Confident87Confident0 Ų033.6 Ų33.60%015%0.15CC..Hα-helixtrans-64.3-34.3179.7-70.80000112.6T136 L143 N144 I145 P148T136-C140 WeakPolarHBondContact O-CB 3.4Å; T136-C140 PolarHBondContact O-N 3.11Å; T136-C140 PolarHBondContact O-SG 2.7Å; T136-C140 VanDerWaalsContact O-SG 3.36Å; C140-L143 PolarHBondContact O-N 3.2Å; C140-N144 PolarHBondContact O-N 3.19Å; C140-N144 VanDerWaalsContact O-N 3.08Å; C140-I145 HydrophobicContact CB-CB 4.23Å; C140-I145 PolarHBondContact O-N 3.12Å; C140-P148 HydrophobicContact CB-CB 3.58Å
141R84.1Confident87.2Confident171 Ų17131.1 Ų31.165%0.64514%0.139SC*.Hα-helixtrans-63.2-40.4172.5-79.2174.4-175.1156.84.4112.2L137 S138 I139 N144L137-R141 WeakPolarHBondContact O-CB 3.4Å; L137-R141 VanDerWaalsContact O-CG 3.23Å; L137-R141 WeakPolarHBondContact O-CG 3.38Å; L137-R141 PolarHBondContact O-N 3.02Å; S138-R141 PolarHBondContact O-N 3.29Å; I139-R141 VanDerWaalsContact C-N 3.31Å; I139-R141 PolarHBondContact O-N 3.22Å; R141-N144 PolarHBondContact O-N 2.62Å
142Y81.7Confident87.4Confident103 Ų10330.7 Ų30.740%0.40414%0.136SC..Hα-helixtrans-65.6-44.9175.7-179.4-85.8000111.6I59 L61 F123 S138 I139 N144I59-Y142 HydrophobicContact CB-CE1 4.35Å; I59-Y142 HydrophobicContact CD1-CE1 3.93Å; I59-Y142 HydrophobicContact CG1-CE1 4.24Å; I59-Y142 HydrophobicContact CG2-CD1 3.77Å; I59-Y142 HydrophobicContact CG2-CD2 3.97Å; I59-Y142 HydrophobicContact CG2-CE1 3.27Å; I59-Y142 HydrophobicContact CG2-CE2 3.46Å; I59-Y142 VanDerWaalsContact CG2-CE2 3.46Å; I59-Y142 HydrophobicContact CG2-CG 4.11Å; I59-Y142 WeakPolarHBondContact CG2-OH 3.36Å; L61-Y142 HydrophobicContact CD2-CD2 4.25Å; L61-Y142 HydrophobicContact CD2-CG 3.98Å; F123-Y142 AromaticContact CE1-CD1 3.82Å; F123-Y142 HydrophobicContact CE1-CD1 3.82Å; F123-Y142 HydrophobicContact CE1-CE1 4.45Å; F123-Y142 HydrophobicContact CE1-CG 4.37Å; S138-Y142 PolarHBondContact O-N 3.35Å; S138-Y142 VanDerWaalsContact O-N 3.15Å; I139-Y142 WeakPolarHBondContact O-CB 3.41Å; I139-Y142 PolarHBondContact O-N 3.49Å; I139-Y142 VanDerWaalsContact O-N 3.14Å; Y142-N144 PolarHBondContact O-N 3.03Å
143L82Confident87.4Confident3 Ų330.7 Ų30.72%0.01614%0.136CC..THydrogen-bonded Turntrans-72.9-2.4178.7-65.5171.4000113.9L115 F123 I139 C140 I145 L290 L372 I389L115-L143 HydrophobicContact CD2-CD1 3.53Å; L115-L143 HydrophobicContact CD2-CD2 4.49Å; F123-L143 HydrophobicContact CZ-CD1 4.25Å; F123-L143 HydrophobicContact CZ-CD2 4.07Å; F123-L143 HydrophobicContact CZ-CG 4.17Å; I139-L143 HydrophobicContact CG2-CD1 3.82Å; I139-L143 HydrophobicContact CG2-CG 4.48Å; I139-L143 WeakPolarHBondContact O-CG 3.46Å; I139-L143 PolarHBondContact O-N 2.95Å; C140-L143 PolarHBondContact O-N 3.2Å; L143-I145 VanDerWaalsContact C-N 3.3Å; L143-I145 HydrophobicContact CB-CD1 3.96Å; L143-I145 HydrophobicContact CB-CG1 4Å; L143-I145 HydrophobicContact CD1-CD1 4.11Å; L143-I145 PolarHBondContact O-N 3.39Å; L143-L290 HydrophobicContact CD2-CD1 3.76Å; L143-L290 HydrophobicContact CD2-CD2 4.35Å; L143-L372 HydrophobicContact CD1-CD2 4Å; L143-I389 WeakPolarHBondContact O-CD1 3.48Å
144N82.9Confident87.4Confident101 Ų10130.4 Ų30.454%0.5414%0.135SC..THydrogen-bonded Turntrans56.240.8-174.7-167.236.5000113.3C140 R141 Y142 I389C140-N144 PolarHBondContact O-N 3.19Å; C140-N144 VanDerWaalsContact O-N 3.08Å; R141-N144 PolarHBondContact O-N 2.62Å; Y142-N144 PolarHBondContact O-N 3.03Å; N144-I389 HydrophobicContact CB-CD1 4.08Å
145I85.4Confident87.2Confident8 Ų827.2 Ų27.24%0.04112%0.124CC..  trans-96.5115.7173.6-62.6174.3000108.6C140 L143 L151 I389 R390 Q393C140-I145 HydrophobicContact CB-CB 4.23Å; C140-I145 PolarHBondContact O-N 3.12Å; L143-I145 VanDerWaalsContact C-N 3.3Å; L143-I145 HydrophobicContact CB-CD1 3.96Å; L143-I145 HydrophobicContact CB-CG1 4Å; L143-I145 HydrophobicContact CD1-CD1 4.11Å; L143-I145 PolarHBondContact O-N 3.39Å; I145-L151 HydrophobicContact CG2-CD1 4.03Å; I145-I389 HydrophobicContact CG1-CG2 4.07Å; I145-R390 HydrophobicContact CG2-CB 4.08Å; I145-R390 HydrophobicContact CG2-CG 4.04Å; I145-Q393 HydrophobicContact CD1-CG 4.46Å
146R83.5Confident86.7Confident45 Ų4529.4 Ų29.417%0.1714%0.136CC..SBendtrans-69.5160.3171.3-65.1-160.6-59.5151-1.6111.3D381 D387 R390 N1122R146-D381 IonicContact CZ-OD2 2.89Å; R146-D381 IonicContact NH1-OD2 2.97Å; R146-D381 PolarHBondContact NH1-OD2 2.97Å; R146-D381 PolarHBondContact NH2-O 3.43Å; R146-D381 IonicContact NH2-OD2 3.61Å; R146-D381 PolarHBondContact NH2-OD2 3.15Å; R146-D387 WeakPolarHBondContact CB-OD1 3.4Å; R146-D387 WeakPolarHBondContact CD-OD1 3.37Å; R146-D387 VanDerWaalsContact CG-OD1 3.24Å; R146-D387 WeakPolarHBondContact CG-OD1 3.15Å; R146-D387 IonicContact CZ-OD1 2.82Å; R146-D387 IonicContact CZ-OD2 3.21Å; R146-D387 VanDerWaalsContact NE-CG 3.29Å; R146-D387 IonicContact NE-OD1 3.17Å; R146-D387 PolarHBondContact NE-OD1 3.25Å; R146-D387 IonicContact NE-OD2 3.94Å; R146-D387 PolarHBondContact NE-OD2 3.39Å; R146-D387 VanDerWaalsContact NH2-CG 3.35Å; R146-D387 IonicContact NH2-OD1 3.89Å; R146-D387 IonicContact NH2-OD2 2.74Å; R146-D387 PolarHBondContact NH2-OD2 3.19Å; R146-R390 WeakPolarHBondContact O-CD 3.48Å; R146-R390 PolarHBondContact O-NE 3.41Å; R146-N1122 PolarHBondContact NH1-OD1 3.04Å
147H84.9Confident86Confident26 Ų2629.9 Ų29.912%0.1214%0.138CC..  trans53.858.2178.4-64.6-74.5000114.9E149 E150 R390H147-E149 WeakPolarHBondContact CA-OE1 3.46Å; H147-E149 WeakPolarHBondContact CA-OE2 3.38Å; H147-E149 WeakPolarHBondContact CB-OE1 3.46Å; H147-E149 IonicContact CE1-OE1 3.96Å; H147-E149 IonicContact CG-OE1 3.26Å; H147-E149 IonicContact ND1-OE1 3.22Å; H147-E149 PolarHBondContact ND1-OE1 3.47Å; H147-E149 PolarHBondContact O-N 2.67Å; H147-E149 VanDerWaalsContact O-N 3.12Å; H147-E150 HydrophobicContact CB-CG 4.37Å; H147-E150 PolarHBondContact O-N 3.48Å; H147-R390 PolarHBondContact CD2-NH1 2.94Å
148P87.5Confident85.1Confident15 Ų1534 Ų3410%0.09716%0.157CC..G310 helixtrans-62.6-17.7-178.429.9-40.1000115.1L137 C140 E150 L151 L1125L137-P148 HydrophobicContact CD2-CB 3.65Å; L137-P148 HydrophobicContact CD2-CG 3.16Å; L137-P148 HydrophobicContact CG-CG 4.47Å; C140-P148 HydrophobicContact CB-CB 3.58Å; P148-E150 PolarHBondContact O-N 3.39Å; P148-L151 PolarHBondContact O-N 2.96Å; P148-L1125 HydrophobicContact CG-CD1 4.03Å
149E87.8Confident84.4Confident6 Ų635.2 Ų35.23%0.02816%0.158CC..G310 helixtrans-62.2-17.4174.760.8-82.9-164.500114.7F133 H147 L151 Y376 F1113 L1114 R1117 L1125F133-E149 HydrophobicContact CE2-CB 4.33Å; F133-E149 HydrophobicContact CZ-CB 4.43Å; H147-E149 WeakPolarHBondContact CA-OE1 3.46Å; H147-E149 WeakPolarHBondContact CA-OE2 3.38Å; H147-E149 WeakPolarHBondContact CB-OE1 3.46Å; H147-E149 IonicContact CE1-OE1 3.96Å; H147-E149 IonicContact CG-OE1 3.26Å; H147-E149 IonicContact ND1-OE1 3.22Å; H147-E149 PolarHBondContact ND1-OE1 3.47Å; H147-E149 PolarHBondContact O-N 2.67Å; H147-E149 VanDerWaalsContact O-N 3.12Å; E149-L151 VanDerWaalsContact C-N 3.32Å; E149-Y376 WeakPolarHBondContact O-CD2 3.22Å; E149-F1113 HydrophobicContact CB-CE1 4.36Å; E149-L1114 HydrophobicContact CB-CD2 4.43Å; E149-L1114 HydrophobicContact CG-CD2 3.77Å; E149-R1117 VanDerWaalsContact CG-NH1 3.34Å; E149-R1117 IonicContact OE1-CZ 2.67Å; E149-R1117 IonicContact OE1-NH1 2.64Å; E149-R1117 PolarHBondContact OE1-NH1 3.25Å; E149-R1117 IonicContact OE2-NH1 2.76Å; E149-L1125 HydrophobicContact CB-CD2 3.88Å; E149-L1125 HydrophobicContact CG-CD2 4.2Å; E149-L1125 WeakPolarHBondContact OE2-CD2 3.22Å
150E90.3Very high83.1Confident0 Ų040.3 Ų40.30%019%0.185CC..G310 helixtrans-80.5-17.9175-60.6171.2-17900111.8H147 P148 Y374 K375 Y376 Y379 Y380 R390 L1114H147-E150 HydrophobicContact CB-CG 4.37Å; H147-E150 PolarHBondContact O-N 3.48Å; P148-E150 PolarHBondContact O-N 3.39Å; E150-Y374 HydrophobicContact CB-CD1 4.25Å; E150-Y374 CarbonylContact O-C 3.56Å; E150-Y374 WeakPolarHBondContact O-CA 3.19Å; E150-K375 PolarHBondContact O-N 3.42Å; E150-Y376 PolarHBondContact O-N 2.93Å; E150-Y379 WeakPolarHBondContact OE1-CA 3.35Å; E150-Y380 PolarHBondContact OE1-N 3.45Å; E150-R390 IonicContact OE1-NH2 3.2Å; E150-R390 PolarHBondContact OE1-NH2 3.12Å; E150-R390 IonicContact OE2-CZ 2.84Å; E150-R390 IonicContact OE2-NE 2.7Å; E150-R390 IonicContact OE2-NH2 2.68Å; E150-R390 PolarHBondContact OE2-NH2 3.42Å; E150-L1114 HydrophobicContact CG-CD2 4.5Å
151L92.2Very high82Confident5 Ų542.7 Ų42.73%0.02620%0.198CC..EExtended strand (participates in β ladder)trans-105.1154.1-176.7-60.295000111.4T136 I145 P148 E149 L372 R373 Y374T136-L151 HydrophobicContact CG2-CB 4.17Å; I145-L151 HydrophobicContact CG2-CD1 4.03Å; P148-L151 PolarHBondContact O-N 2.96Å; E149-L151 VanDerWaalsContact C-N 3.32Å; L151-L372 HydrophobicContact CB-CD1 4.01Å; L151-L372 HydrophobicContact CD2-CD1 4.06Å; L151-L372 HydrophobicContact CD2-CD2 4.18Å; L151-L372 HydrophobicContact CD2-CG 3.96Å; L151-R373 WeakPolarHBondContact CA-O 3.35Å; L151-Y374 HydrophobicContact CD1-CD1 4.03Å; L151-Y374 HydrophobicContact CD1-CE1 3.72Å; L151-Y374 HydrophobicContact CD2-CD1 4.31Å; L151-Y374 HydrophobicContact CD2-CE1 4.07Å; L151-Y374 HydrophobicContact CD2-CE2 4.26Å; L151-Y374 HydrophobicContact CG-CD1 3.79Å; L151-Y374 HydrophobicContact CG-CE1 3.83Å; L151-Y374 HydrophobicContact CG-CG 4.25Å
152S92.1Very high81.1Confident1 Ų134.8 Ų34.81%0.00717%0.169CC..EExtended strand (participates in β ladder)trans-150.6167.7171-1670000110R373S152-R373 PolarHBondContact N-O 3.09Å; S152-R373 VanDerWaalsContact N-O 3.08Å; S152-R373 PolarHBondContact O-N 3.4Å
153L92.1Very high80.1Confident0 Ų036.8 Ų36.80%018%0.179CC..EExtended strand (participates in β ladder)trans-92.2141.8176.7-64.5176.3000110.5V132 V135 I139 L324 L330 L370 M371 L372V132-L153 HydrophobicContact CG1-CB 4.05Å; V132-L153 HydrophobicContact CG1-CD1 4.24Å; V132-L153 HydrophobicContact CG1-CG 4.37Å; V135-L153 HydrophobicContact CG1-CD1 4.18Å; I139-L153 HydrophobicContact CD1-CD1 4.29Å; I139-L153 HydrophobicContact CD1-CD2 4.42Å; L153-L324 HydrophobicContact CB-CD1 3.73Å; L153-L324 WeakPolarHBondContact O-CB 3.35Å; L153-L324 PolarHBondContact O-N 3.42Å; L153-L330 HydrophobicContact CD1-CD2 4.32Å; L153-L370 HydrophobicContact CB-CD1 4.5Å; L153-L370 HydrophobicContact CD1-CD1 4.17Å; L153-M371 CarbonylContact C-O 3.57Å; L153-M371 WeakPolarHBondContact CA-O 3.06Å; L153-L372 HydrophobicContact CD2-CB 4.27Å; L153-L372 HydrophobicContact CD2-CD1 4Å
154A89.5Confident78.9Confident0 Ų042.4 Ų42.40%021%0.205CC..EExtended strand (participates in β ladder)trans-131.3153.4-179.900000111.3I322 W323 M371A154-I322 HydrophobicContact CB-CD1 3.97Å; A154-I322 HydrophobicContact CB-CG1 3.82Å; A154-W323 HydrophobicContact CB-CD2 4.4Å; A154-W323 HydrophobicContact CB-CE3 3.86Å; A154-W323 HydrophobicContact CB-CZ3 4.12Å; A154-M371 HydrophobicContact CB-CB 4.33Å; A154-M371 HydrophobicContact CB-CE 4.34Å; A154-M371 PolarHBondContact N-O 2.91Å; A154-M371 PolarHBondContact O-N 3.02Å
155H84.9Confident77.4Confident35 Ų3541 Ų4116%0.16220%0.204CC..EExtended strand (participates in β ladder)trans-68.6145.2170.1-65.489.7000111.2I322 L324 M371H155-I322 HydrophobicContact CB-CB 4.47Å; H155-I322 PolarHBondContact N-O 2.88Å; H155-I322 PolarHBondContact ND1-O 3.24Å; H155-L324 WeakPolarHBondContact CE1-CD2 3.33Å; H155-M371 WeakPolarHBondContact O-CE 3.42Å
156L79.8Confident75.6Confident49 Ų4949.4 Ų49.426%0.25724%0.235SC..  trans-65.8138.3170.6-170.267.8000110.8Q114 M371Q114-L156 VanDerWaalsContact OE1-CD1 3.27Å; L156-M371 HydrophobicContact CD1-CG 3.97Å; L156-M371 HydrophobicContact CD1-SD 3.99Å
157I75Confident73.8Confident12 Ų1250.1 Ų50.16%0.06224%0.239CC..  trans-116.8136.5177.6-57.7156.7000109.5D161 L162 F167 V308 L319 I322 M371I157-D161 HydrophobicContact CG2-CB 4.42Å; I157-L162 HydrophobicContact CG2-CD2 4.48Å; I157-F167 HydrophobicContact CG2-CE2 4.44Å; I157-V308 HydrophobicContact CB-CG2 4.31Å; I157-V308 HydrophobicContact CG2-CG1 4.48Å; I157-V308 HydrophobicContact CG2-CG2 4.1Å; I157-V308 WeakPolarHBondContact O-CG2 3.47Å; I157-L319 HydrophobicContact CD1-CD2 3.47Å; I157-L319 VanDerWaalsContact CD1-CD2 3.47Å; I157-I322 HydrophobicContact CD1-CB 4.21Å; I157-I322 HydrophobicContact CD1-CD1 3.45Å; I157-I322 VanDerWaalsContact CD1-CD1 3.45Å; I157-I322 HydrophobicContact CD1-CG1 4.35Å; I157-I322 HydrophobicContact CD1-CG2 3.34Å; I157-I322 HydrophobicContact CG1-CB 4.34Å; I157-I322 HydrophobicContact CG1-CD1 4.28Å; I157-I322 HydrophobicContact CG1-CG2 3.42Å; I157-I322 VanDerWaalsContact CG1-CG2 3.42Å; I157-M371 HydrophobicContact CD1-CE 4.45Å
158H70.3Confident72Confident90 Ų9052.5 Ų52.542%0.41725%0.252SS..  trans-102.9155.6164.6-64.9-65.4000112N160 D161H158-N160 PolarHBondContact O-N 3.22Å; H158-D161 PolarHBondContact N-OD2 3.23Å; H158-D161 WeakPolarHBondContact O-CB 3.32Å; H158-D161 PolarHBondContact O-N 3.02Å
159Q71Confident69.9Low69 Ų6953.3 Ų53.332%0.32226%0.257SS..THydrogen-bonded Turntrans-55.1-29.1-179.1-172.667.539.900113.6D161 R309Q159-D161 VanDerWaalsContact C-N 3.32Å; Q159-R309 PolarHBondContact NE2-O 2.98Å
160N60.9Low67.6Low107 Ų10756.7 Ų56.757%0.57229%0.294SS*.THydrogen-bonded Turntrans-70.8-28178.8-70.1-20.5000112.9H158 L162 K163 H164H158-N160 PolarHBondContact O-N 3.22Å; N160-L162 VanDerWaalsContact C-N 3.31Å; N160-L162 PolarHBondContact O-N 3.46Å; N160-K163 PolarHBondContact O-N 3.22Å; N160-H164 PolarHBondContact O-ND1 3.08Å; N160-H164 VanDerWaalsContact O-ND1 3.08Å
161D64.3Low65.3Low51 Ų5163.7 Ų63.727%0.27332%0.321SS..G310 helixtrans-76-25.9-173.8-51.6-35000111.5I157 H158 Q159 K163 H164 F167I157-D161 HydrophobicContact CG2-CB 4.42Å; H158-D161 PolarHBondContact N-OD2 3.23Å; H158-D161 WeakPolarHBondContact O-CB 3.32Å; H158-D161 PolarHBondContact O-N 3.02Å; Q159-D161 VanDerWaalsContact C-N 3.32Å; D161-K163 PolarHBondContact O-N 3.35Å; D161-H164 PolarHBondContact O-N 3.35Å; D161-F167 HydrophobicContact CB-CD2 3.49Å; D161-F167 VanDerWaalsContact CB-CD2 3.49Å; D161-F167 HydrophobicContact CB-CE2 3.34Å
162L66.1Low62.7Low5 Ų566.2 Ų66.23%0.02634%0.337CS..G310 helixtrans-62.3-25.1173.9-72.9-170000114.1I157 N160 V308 Q315 R318 L319I157-L162 HydrophobicContact CG2-CD2 4.48Å; N160-L162 VanDerWaalsContact C-N 3.31Å; N160-L162 PolarHBondContact O-N 3.46Å; L162-V308 HydrophobicContact CD1-CG1 3.09Å; L162-V308 HydrophobicContact CD2-CG1 4.4Å; L162-V308 HydrophobicContact CG-CG1 3.65Å; L162-Q315 HydrophobicContact CB-CG 4.45Å; L162-Q315 HydrophobicContact CD1-CB 4.36Å; L162-R318 HydrophobicContact CD2-CB 4.38Å; L162-R318 PolarHBondContact O-NH1 2.99Å; L162-L319 HydrophobicContact CD2-CD2 3.78Å; L162-L319 HydrophobicContact CD2-CG 4.23Å
163K59.7Low59.8Low144 Ų14470.3 Ų70.363%0.62636%0.358SS*.G310 helixtrans-78.9-30.1-177-66.4-178.7-179.4174.80112.1N160 D161 R318N160-K163 PolarHBondContact O-N 3.22Å; D161-K163 PolarHBondContact O-N 3.35Å; K163-R318 PolarHBondContact O-NH1 3.46Å
164H57.6Low57Low121 Ų12177 Ų7756%0.5639%0.387SS*.SBendtrans-83136.2-175.6-63.390.5000110.9N160 D161 R166 R318N160-H164 PolarHBondContact O-ND1 3.08Å; N160-H164 VanDerWaalsContact O-ND1 3.08Å; D161-H164 PolarHBondContact O-N 3.35Å; H164-R166 PolarHBondContact O-N 3.38Å; H164-R318 PolarHBondContact O-NH1 3.2Å
165S50.9Low54.3Low73 Ų7384.5 Ų84.551%0.5142%0.416SS..SBendtrans-67.6-11.5-179.6-167.30000113.9
166R47.7Very low52.1Low183 Ų18387.6 Ų87.669%0.69143%0.427SS*.  trans-128.2101.1177.4-74.8-174.1-122.3163.91.2107.9H164 I168H164-R166 PolarHBondContact O-N 3.38Å; R166-I168 HydrophobicContact CB-CD1 4.04Å; R166-I168 HydrophobicContact CB-CG1 4.11Å; R166-I168 PolarHBondContact O-N 3.5Å; R166-I168 VanDerWaalsContact O-N 3.09Å
167F45.9Very low50Low61 Ų6192.3 Ų92.327%0.26845%0.447SS..  trans-74.890.4157.4-164.1-87.4000106I157 D161 P169I157-F167 HydrophobicContact CG2-CE2 4.44Å; D161-F167 HydrophobicContact CB-CD2 3.49Å; D161-F167 VanDerWaalsContact CB-CD2 3.49Å; D161-F167 HydrophobicContact CB-CE2 3.34Å; F167-P169 HydrophobicContact CD1-CG 4.03Å; F167-P169 HydrophobicContact CE1-CB 4.36Å; F167-P169 HydrophobicContact CE1-CG 3.88Å; F167-P169 WeakPolarHBondContact O-CD 3.48Å
168I45.6Very low47.9Very low76 Ų7696.8 Ų96.839%0.3948%0.475SS..  trans-98.1106.9164.1-64.1159.4000103R166 G170R166-I168 HydrophobicContact CB-CD1 4.04Å; R166-I168 HydrophobicContact CB-CG1 4.11Å; R166-I168 PolarHBondContact O-N 3.5Å; R166-I168 VanDerWaalsContact O-N 3.09Å; I168-G170 PolarHBondContact O-N 3.44Å
169P43.8Very low45.9Very low32 Ų3298.7 Ų98.721%0.20849%0.488CS..  trans-51.3123.8165.7-12.422.6000105.8F167 Y171 V172F167-P169 HydrophobicContact CD1-CG 4.03Å; F167-P169 HydrophobicContact CE1-CB 4.36Å; F167-P169 HydrophobicContact CE1-CG 3.88Å; F167-P169 WeakPolarHBondContact O-CD 3.48Å; P169-Y171 PolarHBondContact O-N 3.32Å; P169-V172 HydrophobicContact CB-CG2 4.28Å; P169-V172 HydrophobicContact CG-CG2 4.19Å; P169-V172 PolarHBondContact O-N 2.92Å; P169-V172 VanDerWaalsContact O-N 3.14Å
170G38.9Very low44Very low77 Ų77100.5 Ų100.579%0.79451%0.508SS*.THydrogen-bonded Turntrans-58.64.7-171.400000115.6I168I168-G170 PolarHBondContact O-N 3.44Å
171Y43.7Very low42.5Very low147 Ų147102.8 Ų102.858%0.57652%0.52SS*.THydrogen-bonded Turntrans-115.6-2.8-175.3-66.3-73.2000114.9P169 D173 G334 K336P169-Y171 PolarHBondContact O-N 3.32Å; Y171-D173 PolarHBondContact O-N 3.48Å; Y171-G334 WeakPolarHBondContact CB-O 3.41Å; Y171-K336 HydrophobicContact CD1-CD 3.93Å; Y171-K336 HydrophobicContact CE1-CD 3.97Å
172V37.5Very low40.8Very low58 Ų58107 Ų10735%0.35255%0.548SS..  trans-89.9103176.5-173.70000110P169 K174P169-V172 HydrophobicContact CB-CG2 4.28Å; P169-V172 HydrophobicContact CG-CG2 4.19Å; P169-V172 PolarHBondContact O-N 2.92Å; P169-V172 VanDerWaalsContact O-N 3.14Å; V172-K174 PolarHBondContact O-N 3.1Å
173D31.2Very low39.2Very low86 Ų86110 Ų11046%0.4658%0.58SS.*  trans-58.1124.2174.3-162.4-2.9000109.7Y171 R175Y171-D173 PolarHBondContact O-N 3.48Å; D173-R175 PolarHBondContact O-N 3.39Å; D173-R175 IonicContact OD1-NE 3.03Å; D173-R175 PolarHBondContact OD1-NE 3.02Å; D173-R175 VanDerWaalsContact OD1-NE 3.17Å; D173-R175 IonicContact OD2-CZ 3.17Å; D173-R175 IonicContact OD2-NE 2.65Å; D173-R175 PolarHBondContact OD2-NE 3.42Å; D173-R175 IonicContact OD2-NH2 3.42Å
174K33.3Very low37.8Very low141 Ų141113 Ų11361%0.61359%0.593SS**THydrogen-bonded Turntrans-68.515.3-171.4-71.8175.6178.81660114V172 T178V172-K174 PolarHBondContact O-N 3.1Å; K174-T178 PolarHBondContact O-OG1 3.43Å; K174-T178 VanDerWaalsContact O-OG1 3.13Å
175R32.6Very low36.6Very low157 Ų157119.7 Ų119.759%0.59261%0.613SS**THydrogen-bonded Turntrans-89.7-18.4-171.1-61.8-178.1-150.2-170.42.8113.4D173 L179D173-R175 PolarHBondContact O-N 3.39Å; D173-R175 IonicContact OD1-NE 3.03Å; D173-R175 PolarHBondContact OD1-NE 3.02Å; D173-R175 VanDerWaalsContact OD1-NE 3.17Å; D173-R175 IonicContact OD2-CZ 3.17Å; D173-R175 IonicContact OD2-NE 2.65Å; D173-R175 PolarHBondContact OD2-NE 3.42Å; D173-R175 IonicContact OD2-NH2 3.42Å; R175-L179 HydrophobicContact CB-CD1 4.35Å; R175-L179 WeakPolarHBondContact O-CD1 3.48Å; R175-L179 WeakPolarHBondContact O-CG 3.34Å
176Y37.9Very low35.7Very low100 Ų100120.7 Ų120.739%0.39262%0.62SS.*SBendtrans-98.50.9-177.6-61.9-73.5000116.2P78 A79 R80 S81P78-Y176 PolarHBondContact O-OH 3.26Å; A79-Y176 PolarHBondContact O-OH 3.17Å; R80-Y176 VanDerWaalsContact C-OH 3.31Å; R80-Y176 WeakPolarHBondContact CA-OH 3.32Å; R80-Y176 PolarHBondContact N-OH 2.87Å; R80-Y176 VanDerWaalsContact N-OH 3.14Å; S81-Y176 PolarHBondContact N-OH 2.81Å; S81-Y176 WeakPolarHBondContact OG-CE2 3.43Å
177H36.5Very low34.9Very low148 Ų148117.4 Ų117.469%0.68562%0.62SS**SBendtrans-113.53.5175.8-71.3-60000114
178T31.3Very low34.3Very low106 Ų106124 Ų12465%0.6565%0.65SS**SBendtrans-140.111.9-178.353.40000115K174 S180K174-T178 PolarHBondContact O-OG1 3.43Å; K174-T178 VanDerWaalsContact O-OG1 3.13Å; T178-S180 VanDerWaalsContact C-N 3.34Å; T178-S180 PolarHBondContact O-N 3.46Å
179L28.5Very low33.7Very low130 Ų130128.4 Ų128.468%0.68167%0.668SS**  trans-91.367.3175-74.5170.6000111.7R175R175-L179 HydrophobicContact CB-CD1 4.35Å; R175-L179 WeakPolarHBondContact O-CD1 3.48Å; R175-L179 WeakPolarHBondContact O-CG 3.34Å
180S30.4Very low33.3Very low107 Ų107139 Ų13975%0.74870%0.704SS**SBendtrans-149.640.6156.676.30000111.4T178T178-S180 VanDerWaalsContact C-N 3.34Å; T178-S180 PolarHBondContact O-N 3.46Å
181N28.6Very low33Very low155 Ų155140.7 Ų140.783%0.82970%0.704SS**  trans-174.774.1163.3-105.7-15.7000113.5
182T30.1Very low32.8Very low141 Ų141138.4 Ų138.487%0.86572%0.715SS**  trans-143.573.7154.455.20000109.1
183G31Very low32.7Very low66 Ų66141.3 Ų141.368%0.6873%0.734SS**SBendtrans-154.475.5178.900000110.9
184K30.9Very low33.1Very low208 Ų208145.2 Ų145.290%0.90475%0.753SS**  trans42.799.4155.1-58.7176.6-178.8175.30116.8
185R33.2Very low33.1Very low261 Ų261145.1 Ų145.199%0.98576%0.759SS**  trans-156.4134134.7-114.5171.1-176.3-142.10.7113.6
186S30.4Very low33.5Very low95 Ų95143.9 Ų143.966%0.66477%0.769SS**  trans-85.2151.2-169.5170.40000112.2
187T31.8Very low33.5Very low113 Ų113145.3 Ų145.369%0.69379%0.788SS**  trans60.3116.7151.150.90000119.3
188F33.5Very low33.3Very low201 Ų201145.5 Ų145.588%0.88279%0.789SS**  -168.8133.5104.8-115.5-87.9000111.8
189Q33Very low33.7Very low167 Ų167146.4 Ų146.478%0.7880%0.8SS**  trans-68.2140.5173.4-67.8171-60.900111.5
190R35.3Very low33.8Very low255 Ų255145.9 Ų145.996%0.96279%0.794SS**  trans-142.3107.9140.9-93.6-170-171.5-136.70.7109.6
191S31.7Very low34.1Very low112 Ų112150.1 Ų150.178%0.78380%0.795SS**  trans-83.3132.4165-49.40000109
192A39.3Very low34.2Very low99 Ų99150.9 Ų150.982%0.81879%0.791SS**  trans-167.1125.2144.200000110.2
193T36Very low34.1Very low120 Ų120151 Ų15174%0.73679%0.791SS**  trans-47.7150.4174.640.80000117
194I40.9Very low34.1Very low168 Ų168155 Ų15586%0.86280%0.796SS**  -155.6128.1117.2-86149.9000107.9
195N32.1Very low33.8Very low139 Ų139156.4 Ų156.474%0.74380%0.796SS**  trans-76.4149.3175.5-68.3-29.7000111.3
196T40.3Very low33.9Very low130 Ų130153.8 Ų153.880%0.79879%0.791SS**  -175.2120.9124.925.30000112.8
197T39.3Very low33.8Very low130 Ų130157.7 Ų157.780%0.79880%0.799SS**  trans72.384.4144.163.50000122.4
198H32.3Very low33.5Very low152 Ų152157.1 Ų157.170%0.70480%0.8SS**  32.4120.3114.4-107.5-94.5000120.9Q200H198-Q200 PolarHBondContact CE1-NE2 3.01Å; H198-Q200 VanDerWaalsContact CE1-NE2 3.33Å
199S38.4Very low33.3Very low125 Ų125154.1 Ų154.187%0.87479%0.793SS**  -153.9135.2115.757.20000110.2
200Q31.6Very low33.3Very low119 Ų119154.7 Ų154.756%0.55679%0.793SS**  trans-100.2178.2-165.3-79.1-171.1-12.500112.9H198H198-Q200 PolarHBondContact CE1-NE2 3.01Å; H198-Q200 VanDerWaalsContact CE1-NE2 3.33Å
201Y36Very low32.8Very low197 Ų197150.6 Ų150.677%0.77379%0.785SS**  trans104127.6155.7-48.1-62.4000114.4
202K30.4Very low32.7Very low171 Ų171151 Ų15174%0.74378%0.782SS**  cis-166127.82.1-135169.8-178.1174.50107.7
203T28.5Very low32.1Very low143 Ų143153.2 Ų153.288%0.87778%0.78SS**  trans-80.8130.3160.429.50000108.7
204L30.9Very low32Very low149 Ų149157.2 Ų157.278%0.7879%0.791SS**  trans-132.8105.9165.9-92.2165.5000109.4
205R26Very low31.6Very low238 Ų238152.8 Ų152.890%0.89879%0.787SS**  trans-63.4141.5149.5-81.6176.3166.6153.4-5.4108.2
206K33.5Very low31.5Very low206 Ų206152.2 Ų152.290%0.89679%0.788SS**  trans-146.9104.7156.8-130.1178.7-178.3-175.10109.9
207E28.2Very low31.1Very low177 Ų177154.8 Ų154.883%0.82779%0.791SS**  trans-74.4148.7157.5-72.1169.5151.800109.2
208S26.6Very low30.9Very low102 Ų102153.8 Ų153.871%0.71379%0.785SS**  trans23.1125.1157.2630000119.8
209L29.8Very low30.8Very low138 Ų138154.1 Ų154.172%0.72379%0.792SS**  170.2141.9125.9-94.6151.4000113.2
210F31.7Very low30.6Very low178 Ų178151.5 Ų151.578%0.78179%0.785SS**  trans96.6104.5156.7-60-63.8000121.2
211Q25.9Very low30.8Very low170 Ų170151.9 Ų151.979%0.79479%0.79SS**  trans-40.4148.4144.8-70.3158.3-28.900113.1
212T28.8Very low30.9Very low120 Ų120148.3 Ų148.374%0.73679%0.785SS**  171.8140.9107.234.10000112.1
213N27.5Very low31.2Very low145 Ų145148.6 Ų148.678%0.77579%0.786SS**  trans69.4116.7144.6-60.9-7.4000121.2
214E32.5Very low31.6Very low205 Ų205149 Ų14996%0.95878%0.778SS**  163.8134.4123.7-87.6179-161.700106.5
215G33.2Very low31.8Very low75 Ų75147.5 Ų147.577%0.77377%0.77SS**  cis171.6129.97.800000105.1
216T29.6Very low32.1Very low127 Ų127143.9 Ų143.978%0.77976%0.764SS**  trans-65.3140.9-172.829.80000115.7
217H33.3Very low32Very low183 Ų183139.5 Ų139.585%0.84775%0.754SS**  trans-15190.1145.4-87-65.4000112.7
218T34.5Very low32.2Very low109 Ų109140 Ų14067%0.66975%0.754SS**  46.4107.4124.859.10000123.2
219N29.1Very low32.3Very low160 Ų160140 Ų14086%0.85675%0.754SS**  52.4136.3110.7-66.9-0000124.5
220G35.7Very low32.3Very low70 Ų70142.7 Ų142.772%0.72276%0.763SS**  trans157.873.1154.700000111.9
221N35.4Very low32.1Very low126 Ų126142.8 Ų142.867%0.67477%0.766SS**  84.7114.787.3-86.137.9000116.4
222D38.1Very low32.3Very low123 Ų123143.5 Ų143.566%0.65877%0.769SS**  102.5124.9120.1-70.3-18.7000123.5
223K37.2Very low32.1Very low176 Ų176143.6 Ų143.677%0.76578%0.775SS**  trans88.3142.4147.4-68.5164.6-175.5-173.40119.5
224Q35.8Very low32.3Very low151 Ų151143.1 Ų143.171%0.70677%0.771SS**  cis-178145.5-25.2-122.6-177.8-44.300106.3
225D34.8Very low32.2Very low118 Ų118142 Ų14263%0.63176%0.762SS**  trans79.4112.7143.8-55.9-21000124.6
226E33.7Very low31.9Very low162 Ų162143.3 Ų143.376%0.75776%0.76SS**  85.2103.3119.8-68.1-165.3151.600125.2
227T30.7Very low31.9Very low114 Ų114142.4 Ų142.470%0.69976%0.759SS**  79.6133.2122.668.70000124.7
228K32.7Very low31.7Very low189 Ų189140 Ų14082%0.82276%0.757SS**  trans94100.6146.8-75.8168-175.7179.70121.2
229S27.4Very low31.5Very low102 Ų102143.5 Ų143.571%0.71377%0.771SS**  45.4112.4129.558.40000120.7
230E30.3Very low31.4Very low193 Ų193140.1 Ų140.190%0.90276%0.76SS**  -179.4157.8115.2-100.3173.3-17700111.2
231E28.4Very low31.1Very low180 Ų180148.4 Ų148.484%0.84177%0.769SS**  trans-64.3139.1-163.3-58.8166.3146.200114.9
232Q30.2Very low30.8Very low186 Ų186150.3 Ų150.387%0.86977%0.774SS**  170.4125.4127.8-91.7168.623.700111I234Q232-I234 PolarHBondContact O-N 2.97Å
233S25Very low30.3Very low122 Ų122149.1 Ų149.185%0.85378%0.775SS**  trans-69.3104.8-170.453.80000113.8
234I31.8Very low30Very low134 Ų134148.1 Ų148.169%0.68778%0.776SS**  trans-143.2115.9169.8-66-174.8000110.1Q232Q232-I234 PolarHBondContact O-N 2.97Å
235K29.6Very low29.7Very low181 Ų181148.9 Ų148.979%0.78778%0.78SS**  trans59124.6140.4-56.1171.9-171.9171.80121.7
236S26.7Very low29.5Very low104 Ų104149.4 Ų149.473%0.72778%0.782SS**  64.1120.412965.20000120.6
237S29.7Very low29.2Very low107 Ų107148.3 Ų148.375%0.74878%0.775SS**  -179.5103.1121.533.10000108.9
238T29.4Very low29.3Very low132 Ų132145.8 Ų145.881%0.8177%0.771SS**  65.8103.8101.659.20000115
239L29Very low29.2Very low183 Ų183142.3 Ų142.396%0.95877%0.768SS**  trans-135.2119.8143.3-98.9139.4000108.7
240S27.5Very low29.2Very low90 Ų90143.2 Ų143.263%0.62977%0.772SS**  trans-79.5135.3-169520000113.8
241R30.7Very low29.2Very low244 Ų244143.8 Ų143.892%0.92177%0.771SS**  trans-143.296.6147.1-91.8-174.2-174-179.92.3109.9
242H27.8Very low29.3Very low166 Ų166142.3 Ų142.377%0.76977%0.768SS**  trans8.3125.3131.5-58.570.8000114
243S29.1Very low29.2Very low98 Ų98142.7 Ų142.769%0.68576%0.761SS**  175.4140.154.551.20000112.4
244I30.7Very low29.4Very low154 Ų154143.3 Ų143.379%0.7976%0.755SS**  trans71.292138.3-56.6160.5000117.3
245H29.1Very low29.3Very low167 Ų167143.7 Ų143.777%0.77375%0.751SS**  41.3134.981.4-87.6-69.6000114.2
246L29.1Very low29.3Very low130 Ų130145.4 Ų145.468%0.68175%0.753SS**  cis-165.6160.522.8-89.6131000106.8
247F28.9Very low29.4Very low138 Ų138145.5 Ų145.561%0.60575%0.749SS**  trans-179.7100.5133.8-88.3-62.8000109.2
248G31.9Very low29.4Very low61 Ų61148 Ų14863%0.62975%0.749SS**SBendtrans-141.5154165.500000107.6
249P31.2Very low29.3Very low116 Ų116148.1 Ų148.175%0.75374%0.744SS**  trans-70.1153.9-172.522-21.6000112.3
250P27.9Very low29.3Very low121 Ų121146.2 Ų146.279%0.78673%0.73SS**  trans-83.9134-150.232.3-33.8000113.3
251K29.5Very low29.1Very low205 Ų205150.7 Ų150.789%0.89173%0.733SS**  trans-81.4113.9162.7-73.2-175.7176.2179.20109R253K251-R253 PolarHBondContact O-N 2.92Å
252I30.4Very low29Very low150 Ų150148.2 Ų148.277%0.76973%0.725SS**  trans-59.5131.8164-66.7170.4000108.2
253R27.7Very low29.1Very low193 Ų193145 Ų14573%0.72872%0.721SS**  trans-96.3132.2-166.9170.2-176.5179.2161.1-0.6108.4K251K251-R253 PolarHBondContact O-N 2.92Å
254D30.3Very low28.8Very low136 Ų136151 Ų15173%0.72773%0.729SS**  -156.2104.8128.8-100.3-27000114.2
255K30.1Very low28.7Very low141 Ų141149.8 Ų149.861%0.61373%0.731SS**  46.2122.5127.3-69.7174.3-1721560122.2
256R29.2Very low28.6Very low218 Ų218148 Ų14882%0.82373%0.727SS**  106.788.7126.3-83.8-178.3170.3153.3-4.1119.5
257T28.6Very low28.6Very low105 Ų105147.7 Ų147.764%0.64474%0.736SS**  57.6130.1107.658.80000123
258H28.6Very low28.5Very low161 Ų161144.1 Ų144.175%0.74574%0.738SS**  trans88.6107.2132-79.3-50.7000119.9
259L27.2Very low28.2Very low134 Ų134148.9 Ų148.970%0.70275%0.749SS**  152.7144.197.5-89.6144.8000114.6
260H29.3Very low28.1Very low143 Ų143153.3 Ų153.366%0.66276%0.757SS**  trans65.4114.1156.5-64.3-56.3000119.5
261R24.3Very low28.2Very low184 Ų184154.1 Ų154.169%0.69475%0.754SS**  79.1132.861.3-163.3-171-69.4-162.62.8112.1
262Y28.4Very low28.1Very low191 Ų191154 Ų15475%0.74975%0.754SS**  trans80.5138.7177.1-53.6-73000114.3
263S28.8Very low28Very low99 Ų99152.7 Ų152.769%0.69275%0.753SS**  cis-170.8150.5-13.3-83.60000104
264R22.9Very low28Very low224 Ų224149.5 Ų149.585%0.84576%0.757SS**  trans-48.1148.2168.9-77.3176.6171167.9-5.4111.2
265P29.5Very low27.8Very low128 Ų128152.8 Ų152.883%0.83177%0.765SS**  -134.7152.8105.931-16.4000113.5
266D26.3Very low27.5Very low129 Ų129150.1 Ų150.169%0.6976%0.764SS**  trans-65.8161.2-177.1-67.6-56.1000114.6
267S28.9Very low27.5Very low124 Ų124145.6 Ų145.687%0.86776%0.763SS**  trans79.6127.614574.50000119.5
268G27.2Very low27.5Very low64 Ų64147 Ų14766%0.6677%0.766SS**  trans106107.6145.500000116.8
269N26.8Very low27.4Very low161 Ų161143.8 Ų143.886%0.86177%0.766SS**  trans58.598150.7-71.7-5.1000119.1
270F28.3Very low27.4Very low209 Ų209141 Ų14192%0.91775%0.749SS**  trans-123.4112.5154-84.8-79.8000112
271N29.6Very low27.3Very low137 Ų137139.5 Ų139.573%0.73375%0.746SS**  trans-73.3141.7160.2-78.2-44.2000110.3
272K27.7Very low27.6Very low204 Ų204136.2 Ų136.289%0.88774%0.741SS**  trans43.7103.4149.4-69.1177.8176.3177.70118.8
273V29.1Very low27.8Very low122 Ų122136 Ų13674%0.73974%0.739SS**  trans-139134.8153.3-175.40000107.9
274P27.4Very low28.3Very low126 Ų126138.1 Ų138.182%0.81874%0.741SS**PPolyproline II helixtrans-79.3132.8-165.831.5-33.3000112.2
275F25.4Very low29.2Very low205 Ų205134.3 Ų134.390%0.89974%0.737SS**PPolyproline II helixtrans-80.9128.6175.9-83.2-90.4000111.4
276S23.9Very low30.2Very low84 Ų84135.4 Ų135.459%0.58774%0.736SS**PPolyproline II helixtrans-65.3138.2165.657.40000111.2I278S276-I278 PolarHBondContact O-N 2.93Å
277P29.5Very low31.6Very low124 Ų124133 Ų13381%0.80572%0.723SS**  trans-80.4105.8171.331.3-27.7000109.1
278I28Very low33.1Very low135 Ų135131 Ų13169%0.69271%0.709SS**PPolyproline II helixtrans-81.1126.3170.6-67.4164.3000107.8S276S276-I278 PolarHBondContact O-N 2.93Å
279A27.7Very low35.1Very low92 Ų92130 Ų13076%0.7669%0.69SS**PPolyproline II helixtrans-58.4140.8-175.400000113.6
280F26Very low37.2Very low75 Ų75122.6 Ų122.633%0.32965%0.651SS.*PPolyproline II helixtrans-69.3123.2177.6-74.4-91.6000112.3L282 G754 T758F280-L282 PolarHBondContact O-N 3.18Å; F280-G754 WeakPolarHBondContact CD2-O 3.47Å; F280-G754 VanDerWaalsContact CE1-C 3.43Å; F280-G754 WeakPolarHBondContact CE1-O 3.47Å; F280-G754 VanDerWaalsContact CE2-CA 3.43Å; F280-G754 WeakPolarHBondContact CE2-O 3.33Å; F280-G754 VanDerWaalsContact CZ-CA 3.4Å; F280-G754 WeakPolarHBondContact CZ-O 3.4Å; F280-T758 HydrophobicContact CD1-CG2 4.15Å; F280-T758 HydrophobicContact CE1-CG2 3.88Å; F280-T758 WeakPolarHBondContact CE1-OG1 3.48Å; F280-T758 HydrophobicContact CZ-CG2 4.34Å
281D26.9Very low39.1Very low112 Ų112113.7 Ų113.760%0.59962%0.615SS**  trans-95.187.5175.4-133-17.5000109.5R283D281-R283 HydrophobicContact CB-CG 4.2Å; D281-R283 VanDerWaalsContact CG-NE 3.26Å; D281-R283 PolarHBondContact O-N 2.92Å; D281-R283 IonicContact OD1-NE 3.77Å; D281-R283 IonicContact OD2-CZ 3.14Å; D281-R283 IonicContact OD2-NE 2.84Å; D281-R283 PolarHBondContact OD2-NE 2.89Å; D281-R283 IonicContact OD2-NH2 3.01Å; D281-R283 PolarHBondContact OD2-NH2 3.33Å
282L31.1Very low41Very low115 Ų115111.6 Ų111.660%0.60260%0.6SS**  trans-73.670.1172.9-94.2158.2000110.2F280 I284F280-L282 PolarHBondContact O-N 3.18Å; L282-I284 VanDerWaalsContact C-N 3.26Å; L282-I284 PolarHBondContact O-N 3.14Å
283R33.7Very low43Very low186 Ų186103 Ų10370%0.70257%0.565SS**THydrogen-bonded Turntrans-79.211.5-178.4-62.1-170.4-161161.47.4115.8D281 L285D281-R283 HydrophobicContact CB-CG 4.2Å; D281-R283 VanDerWaalsContact CG-NE 3.26Å; D281-R283 PolarHBondContact O-N 2.92Å; D281-R283 IonicContact OD1-NE 3.77Å; D281-R283 IonicContact OD2-CZ 3.14Å; D281-R283 IonicContact OD2-NE 2.84Å; D281-R283 PolarHBondContact OD2-NE 2.89Å; D281-R283 IonicContact OD2-NH2 3.01Å; D281-R283 PolarHBondContact OD2-NH2 3.33Å; R283-L285 VanDerWaalsContact C-N 3.26Å; R283-L285 PolarHBondContact O-N 3.43Å
284I37.4Very low44.8Very low145 Ų145100.2 Ų100.274%0.74455%0.55SS*.THydrogen-bonded Turntrans-84.13.6-174.2-60.9173.9000112.6L282L282-I284 VanDerWaalsContact C-N 3.26Å; L282-I284 PolarHBondContact O-N 3.14Å
285L43.1Very low46.8Very low144 Ų14497.2 Ų97.275%0.75453%0.526SS*.SBendtrans-125-7.7-176.2-95.8141.8000116.8R283R283-L285 VanDerWaalsContact C-N 3.26Å; R283-L285 PolarHBondContact O-N 3.43Å
286D49.3Very low48.9Very low150 Ų15088.8 Ų88.880%0.80249%0.49SS*.  trans-140.270.4-176.6-71.1-46.2000112.3S288D286-S288 PolarHBondContact O-N 3.03Å
287D56.2Low51Low78 Ų7887.2 Ų87.242%0.41748%0.475SS..  trans-75.282.8168-134.924.1000108.3R121 T289 L290R121-D287 IonicContact CZ-OD2 3.1Å; R121-D287 IonicContact NH1-OD2 3.65Å; R121-D287 PolarHBondContact NH1-OD2 3.22Å; R121-D287 IonicContact NH2-OD2 2.73Å; R121-D287 PolarHBondContact NH2-OD2 3.45Å; D287-T289 PolarHBondContact O-N 3Å; D287-L290 HydrophobicContact CB-CD1 4.24Å; D287-L290 HydrophobicContact CB-CG 4.45Å; D287-L290 PolarHBondContact O-N 3.49Å
288S61.2Low52.9Low82 Ų8281.6 Ų81.657%0.57344%0.438SS*.Hα-helixtrans-52-28.7-173.5550000113.5D286 L290 A291 F292D286-S288 PolarHBondContact O-N 3.03Å; S288-L290 PolarHBondContact O-N 2.93Å; S288-A291 PolarHBondContact O-N 3.42Å; S288-F292 PolarHBondContact O-N 3.24Å
289T68.6Low54.8Low44 Ų4478.2 Ų78.227%0.2742%0.422SS..Hα-helixtrans-65.3-20.6177.362.10000114.7R121 D287 F292R121-T289 PolarHBondContact NH2-OG1 3.37Å; D287-T289 PolarHBondContact O-N 3Å; T289-F292 CarbonylContact C-O 3.51Å; T289-F292 WeakPolarHBondContact CA-O 3.35Å; T289-F292 CarbonylContact O-C 3.56Å
290L71.8Confident56.8Low6 Ų675.7 Ų75.73%0.03140%0.396CS..Hα-helixtrans-85.1-32.5176.3-71.6178.4000112.1L115 R121 L143 D287 S288 I389 N392L115-L290 HydrophobicContact CD1-CD2 3.59Å; R121-L290 VanDerWaalsContact CZ-CD2 3.49Å; L143-L290 HydrophobicContact CD2-CD1 3.76Å; L143-L290 HydrophobicContact CD2-CD2 4.35Å; D287-L290 HydrophobicContact CB-CD1 4.24Å; D287-L290 HydrophobicContact CB-CG 4.45Å; D287-L290 PolarHBondContact O-N 3.49Å; S288-L290 PolarHBondContact O-N 2.93Å; L290-I389 HydrophobicContact CB-CD1 4.31Å; L290-I389 HydrophobicContact CB-CG1 4.07Å; L290-I389 HydrophobicContact CB-CG2 3.97Å; L290-N392 PolarHBondContact O-ND2 3.39Å
291A67Low58.9Low21 Ų2172.1 Ų72.117%0.17438%0.38CS..Hα-helixtrans-76.9-34.1174.800000111.6S288 N392S288-A291 PolarHBondContact O-N 3.42Å; A291-N392 VanDerWaalsContact O-CG 3.28Å; A291-N392 PolarHBondContact O-ND2 3.15Å
292F70.3Confident60.9Low93 Ų9368.8 Ų68.841%0.40836%0.362SS..SBendtrans-125.999.5177-56.8-79.4000109.3S288 T289 T428 E431S288-F292 PolarHBondContact O-N 3.24Å; T289-F292 CarbonylContact C-O 3.51Å; T289-F292 WeakPolarHBondContact CA-O 3.35Å; T289-F292 CarbonylContact O-C 3.56Å; F292-T428 HydrophobicContact CD1-CG2 3.96Å; F292-T428 HydrophobicContact CE1-CG2 4.43Å; F292-E431 WeakPolarHBondContact CE1-OE2 3.28Å; F292-E431 WeakPolarHBondContact CZ-OE2 3.33Å
293S69Low62.4Low23 Ų2371 Ų7116%0.16137%0.369CS..  trans-64.9139.2179.735.80000110.8N392 E396S293-N392 PolarHBondContact N-ND2 2.89Å; S293-N392 PolarHBondContact OG-ND2 3.21Å; S293-E396 WeakPolarHBondContact CB-OE1 3.27Å; S293-E396 PolarHBondContact OG-OE1 2.99Å
294P68.1Low63.8Low64 Ų6467.5 Ų67.542%0.41636%0.359SS..  trans-66.1143.7172.628.6-32.1000110.3Q119 M296Q119-P294 HydrophobicContact CG-CG 4.27Å; P294-M296 PolarHBondContact O-N 3.01Å
295I69Low65.2Low64 Ų6461.6 Ų61.633%0.32833%0.334SS..  trans-73.1113.5179.9-52.5175.6000108.6
296M69.1Low66.4Low28 Ų2856 Ų5614%0.13831%0.305CS..  trans-102.6129.4178.7-172.774.867.100110.4P294 A301 W400P294-M296 PolarHBondContact O-N 3.01Å; M296-A301 HydrophobicContact CG-CB 4.31Å; M296-W400 HydrophobicContact CB-CH2 4.33Å; M296-W400 HydrophobicContact CB-CZ2 4.04Å; M296-W400 HydrophobicContact CG-CH2 4.46Å; M296-W400 HydrophobicContact CG-CZ2 4.42Å
297N67.5Low67.6Low51 Ų5149.6 Ų49.627%0.27327%0.27SS..  trans-72.8138.5175.5-56.1-43.9000110.5D299 D300 A301N297-D299 VanDerWaalsContact C-N 3.27Å; N297-D299 PolarHBondContact O-N 3.29Å; N297-D300 HydrophobicContact CB-CB 4.26Å; N297-D300 WeakPolarHBondContact CB-OD2 3.16Å; N297-D300 PolarHBondContact ND2-OD2 3.49Å; N297-D300 PolarHBondContact O-N 2.87Å; N297-A301 PolarHBondContact O-N 2.94Å
298V69.6Low68.4Low5 Ų546.5 Ų46.53%0.0325%0.254CS..Hα-helixtrans-60.4-37.5178.9179.50000111.8D300 A301 L302 W400 I403 H875 L879V298-D300 PolarHBondContact O-N 3.5Å; V298-A301 PolarHBondContact O-N 3.37Å; V298-L302 HydrophobicContact CG1-CD1 3.98Å; V298-L302 HydrophobicContact CG1-CG 4.49Å; V298-L302 WeakPolarHBondContact O-CG 3.37Å; V298-L302 PolarHBondContact O-N 2.74Å; V298-W400 HydrophobicContact CG2-CZ3 4.18Å; V298-I403 HydrophobicContact CG1-CG2 4.23Å; V298-I403 HydrophobicContact CG2-CG2 4.13Å; V298-H875 HydrophobicContact CG2-CB 3.86Å; V298-H875 PolarHBondContact N-ND1 3.03Å; V298-L879 HydrophobicContact CG1-CD2 3.76Å
299D67.4Low69.3Low65 Ų6545.3 Ų45.335%0.34824%0.237SC..Hα-helixtrans-62.8-42.4177.5-67.1-35000111.3N297 A301 L302 Q303 H875N297-D299 VanDerWaalsContact C-N 3.27Å; N297-D299 PolarHBondContact O-N 3.29Å; D299-A301 VanDerWaalsContact C-N 3.34Å; D299-A301 PolarHBondContact O-N 2.97Å; D299-L302 PolarHBondContact O-N 3.01Å; D299-Q303 WeakPolarHBondContact O-CB 3.39Å; D299-Q303 VanDerWaalsContact O-CG 3.28Å; D299-Q303 WeakPolarHBondContact O-CG 3.39Å; D299-Q303 PolarHBondContact O-N 3.17Å; D299-H875 IonicContact OD2-CE1 3.86Å
300D70.2Confident69.8Low39 Ų3943.3 Ų43.321%0.20923%0.225CC..Hα-helixtrans-66.7-38.5177.8-62.9-22.7000111N297 V298 Q303 K304N297-D300 HydrophobicContact CB-CB 4.26Å; N297-D300 WeakPolarHBondContact CB-OD2 3.16Å; N297-D300 PolarHBondContact ND2-OD2 3.49Å; N297-D300 PolarHBondContact O-N 2.87Å; V298-D300 PolarHBondContact O-N 3.5Å; D300-Q303 PolarHBondContact O-N 2.86Å; D300-K304 WeakPolarHBondContact O-CB 3.49Å; D300-K304 VanDerWaalsContact O-CG 3.24Å; D300-K304 WeakPolarHBondContact O-CG 3.12Å; D300-K304 PolarHBondContact O-N 3.14Å
301A69.7Low70.1Confident0 Ų048.5 Ų48.50%025%0.253CS..Hα-helixtrans-68.9-35.417800000112.8L118 M296 N297 V298 D299 G305 L306 I307 W400L118-A301 HydrophobicContact CD1-CB 3.88Å; M296-A301 HydrophobicContact CG-CB 4.31Å; N297-A301 PolarHBondContact O-N 2.94Å; V298-A301 PolarHBondContact O-N 3.37Å; D299-A301 VanDerWaalsContact C-N 3.34Å; D299-A301 PolarHBondContact O-N 2.97Å; A301-G305 PolarHBondContact O-N 3.42Å; A301-L306 PolarHBondContact O-N 2.99Å; A301-I307 HydrophobicContact CB-CD1 3.36Å; A301-I307 HydrophobicContact CB-CG1 3.97Å; A301-W400 HydrophobicContact CB-CH2 4.31Å; A301-W400 HydrophobicContact CB-CZ3 4.46Å
302L69.6Low70.8Confident42 Ų4251.8 Ų51.822%0.2227%0.267CS..Hα-helixtrans-70.2-43.4172.8-75.6162.7000112.1V298 D299 K304 G305 L879 Y883V298-L302 HydrophobicContact CG1-CD1 3.98Å; V298-L302 HydrophobicContact CG1-CG 4.49Å; V298-L302 WeakPolarHBondContact O-CG 3.37Å; V298-L302 PolarHBondContact O-N 2.74Å; D299-L302 PolarHBondContact O-N 3.01Å; L302-K304 VanDerWaalsContact C-N 3.32Å; L302-K304 PolarHBondContact O-N 3.4Å; L302-G305 PolarHBondContact O-N 3.22Å; L302-L879 HydrophobicContact CD1-CD2 4.21Å; L302-L879 HydrophobicContact CD2-CD1 4.48Å; L302-Y883 WeakPolarHBondContact CD1-OH 3.47Å
303Q61.9Low71.4Confident160 Ų16048.7 Ų48.775%0.74825%0.253SS*.Hα-helixtrans-62.6-39.4177.3-75.1177.720.800112D299 D300 G305D299-Q303 WeakPolarHBondContact O-CB 3.39Å; D299-Q303 VanDerWaalsContact O-CG 3.28Å; D299-Q303 WeakPolarHBondContact O-CG 3.39Å; D299-Q303 PolarHBondContact O-N 3.17Å; D300-Q303 PolarHBondContact O-N 2.86Å; Q303-G305 PolarHBondContact O-N 3.07Å
304K64.6Low72.1Confident113 Ų11350.4 Ų50.449%0.49126%0.26SS..THydrogen-bonded Turntrans-74.1-5.3174.7-68.8174.8-177.91770113.3D300 L302 L306D300-K304 WeakPolarHBondContact O-CB 3.49Å; D300-K304 VanDerWaalsContact O-CG 3.24Å; D300-K304 WeakPolarHBondContact O-CG 3.12Å; D300-K304 PolarHBondContact O-N 3.14Å; L302-K304 VanDerWaalsContact C-N 3.32Å; L302-K304 PolarHBondContact O-N 3.4Å; K304-L306 HydrophobicContact CB-CD1 3.72Å; K304-L306 HydrophobicContact CB-CG 3.75Å; K304-L306 HydrophobicContact CD-CD1 3.93Å; K304-L306 HydrophobicContact CG-CD1 4.49Å; K304-L306 PolarHBondContact O-N 3.24Å
305G65.3Low72.9Confident21 Ų2148.7 Ų48.722%0.21625%0.246CC..THydrogen-bonded Turntrans6623.5-178.200000114.1A301 L302 Q303 I307A301-G305 PolarHBondContact O-N 3.42Å; L302-G305 PolarHBondContact O-N 3.22Å; Q303-G305 PolarHBondContact O-N 3.07Å; G305-I307 VanDerWaalsContact C-N 3.35Å
306L70.1Confident73.6Confident28 Ų2847.8 Ų47.815%0.14724%0.239CC..  trans-81.3-16.2-177-64.5168.5000112.9L118 A301 K304L118-L306 HydrophobicContact CB-CD1 4.36Å; L118-L306 HydrophobicContact CD1-CB 4.43Å; L118-L306 HydrophobicContact CD2-CB 4.43Å; A301-L306 PolarHBondContact O-N 2.99Å; K304-L306 HydrophobicContact CB-CD1 3.72Å; K304-L306 HydrophobicContact CB-CG 3.75Å; K304-L306 HydrophobicContact CD-CD1 3.93Å; K304-L306 HydrophobicContact CG-CD1 4.49Å; K304-L306 PolarHBondContact O-N 3.24Å
307I73Confident74.3Confident14 Ų1446.6 Ų46.67%0.07223%0.233CC..  trans-124.6139.8-179.6-57.2168.5000108.9L118 A301 G305 W400 S404L118-I307 HydrophobicContact CD1-CD1 4.14Å; L118-I307 HydrophobicContact CD1-CG1 4.1Å; A301-I307 HydrophobicContact CB-CD1 3.36Å; A301-I307 HydrophobicContact CB-CG1 3.97Å; G305-I307 VanDerWaalsContact C-N 3.35Å; I307-W400 HydrophobicContact CD1-CD2 4.24Å; I307-W400 HydrophobicContact CD1-CE3 3.28Å; I307-W400 HydrophobicContact CD1-CH2 4.1Å; I307-W400 HydrophobicContact CD1-CZ3 3.19Å; I307-W400 HydrophobicContact CG1-CE3 4.15Å; I307-W400 HydrophobicContact CG1-CZ3 4.42Å; I307-S404 VanDerWaalsContact CG2-CB 3.49Å
308V74Confident75Confident14 Ų1446.9 Ų46.99%0.08523%0.23CC..  trans-123.2131179.1175.90000108.7I157 L162 L319I157-V308 HydrophobicContact CB-CG2 4.31Å; I157-V308 HydrophobicContact CG2-CG1 4.48Å; I157-V308 HydrophobicContact CG2-CG2 4.1Å; I157-V308 WeakPolarHBondContact O-CG2 3.47Å; L162-V308 HydrophobicContact CD1-CG1 3.09Å; L162-V308 HydrophobicContact CD2-CG1 4.4Å; L162-V308 HydrophobicContact CG-CG1 3.65Å; V308-L319 HydrophobicContact CG1-CD2 4.41Å
309R78.7Confident75.7Confident57 Ų5747.5 Ų47.522%0.21523%0.233CC..  trans-101.6114.6177.5-174.1-178.6-177.5-166.7-3.3110.4Q159 E405 L879Q159-R309 PolarHBondContact NE2-O 2.98Å; R309-E405 IonicContact CZ-OE2 3.25Å; R309-E405 VanDerWaalsContact CZ-OE2 3.24Å; R309-E405 IonicContact NE-OE2 3.62Å; R309-E405 PolarHBondContact NE-OE2 3.47Å; R309-E405 IonicContact NH2-OE1 3.98Å; R309-E405 IonicContact NH2-OE2 2.7Å; R309-E405 PolarHBondContact NH2-OE2 3.33Å; R309-L879 HydrophobicContact CB-CD1 4.22Å; R309-L879 HydrophobicContact CG-CD1 4.36Å
310P79.8Confident76.5Confident2 Ų246 Ų461%0.01323%0.225CC..  trans-81.3123171.631.8-30.9000110.5Q315 R316 L319 S404 I406P310-Q315 HydrophobicContact CB-CB 4Å; P310-R316 HydrophobicContact CB-CB 4.5Å; P310-R316 HydrophobicContact CB-CG 3.54Å; P310-R316 HydrophobicContact CG-CG 3.6Å; P310-L319 HydrophobicContact CB-CD1 4.28Å; P310-L319 HydrophobicContact CG-CD1 4.03Å; P310-S404 WeakPolarHBondContact CD-O 3.4Å; P310-I406 HydrophobicContact CG-CG1 4.32Å
311N77.6Confident77Confident115 Ų11545.8 Ų45.862%0.61523%0.225SC*.  trans-88.3-21179.9-69.4-18.2000113.5
312N81.6Confident77.7Confident89 Ų8946.5 Ų46.548%0.47623%0.229SC..SBendtrans-137.9155.2-174-160.5-0.3000110.3I314 Q315 R316N312-I314 PolarHBondContact O-N 3.01Å; N312-Q315 WeakPolarHBondContact O-CA 3.39Å; N312-Q315 WeakPolarHBondContact O-CB 3.34Å; N312-Q315 PolarHBondContact O-N 3.46Å; N312-R316 PolarHBondContact O-N 3.29Å
313Y84Confident78.7Confident29 Ų2945.7 Ų45.711%0.11422%0.223CC..Hα-helixtrans-55.7-37-179.9-177.9-117.4000112Q315 R316 I317 S971 S1030 G1046Y313-Q315 VanDerWaalsContact C-N 3.29Å; Y313-Q315 PolarHBondContact O-N 2.95Å; Y313-R316 WeakPolarHBondContact O-CB 3.14Å; Y313-R316 PolarHBondContact O-N 3.4Å; Y313-R316 VanDerWaalsContact O-N 3.13Å; Y313-I317 HydrophobicContact CD1-CD1 3.69Å; Y313-I317 HydrophobicContact CD1-CG1 4.49Å; Y313-I317 HydrophobicContact CE1-CD1 3.36Å; Y313-I317 HydrophobicContact CE1-CG1 4.16Å; Y313-I317 HydrophobicContact CE2-CG1 4.46Å; Y313-I317 HydrophobicContact CG-CD1 4.4Å; Y313-I317 PolarHBondContact O-N 3.26Å; Y313-S971 WeakPolarHBondContact OH-CB 3.5Å; Y313-S971 PolarHBondContact OH-OG 2.91Å; Y313-S1030 WeakPolarHBondContact CE1-OG 3.34Å; Y313-S1030 PolarHBondContact OH-OG 3.4Å; Y313-G1046 VanDerWaalsContact CE1-CA 3.47Å
314I84.4Confident80Confident58 Ų5838 Ų3830%0.29719%0.187SC..Hα-helixtrans-61.7-34.6175.3-131.6167.7000113N312 R318 L1043N312-I314 PolarHBondContact O-N 3.01Å; I314-R318 WeakPolarHBondContact O-CG 3.25Å; I314-R318 PolarHBondContact O-N 2.97Å; I314-L1043 HydrophobicContact CD1-CD1 4.16Å; I314-L1043 HydrophobicContact CD1-CD2 4.03Å; I314-L1043 HydrophobicContact CD1-CG 4.01Å; I314-L1043 HydrophobicContact CG1-CD1 3.94Å; I314-L1043 HydrophobicContact CG1-CG 4.29Å
315Q83.2Confident81.1Confident29 Ų2933.8 Ų33.814%0.13617%0.169CC..Hα-helixtrans-74.1-33.4177.4-69.9-179.4-1000110.9L162 P310 N312 Y313 R318 L319L162-Q315 HydrophobicContact CB-CG 4.45Å; L162-Q315 HydrophobicContact CD1-CB 4.36Å; P310-Q315 HydrophobicContact CB-CB 4Å; N312-Q315 WeakPolarHBondContact O-CA 3.39Å; N312-Q315 WeakPolarHBondContact O-CB 3.34Å; N312-Q315 PolarHBondContact O-N 3.46Å; Y313-Q315 VanDerWaalsContact C-N 3.29Å; Y313-Q315 PolarHBondContact O-N 2.95Å; Q315-R318 WeakPolarHBondContact O-CB 3.49Å; Q315-R318 PolarHBondContact O-N 2.99Å; Q315-L319 PolarHBondContact O-N 3.35Å
316R84.1Confident82.2Confident45 Ų4533 Ų3317%0.1716%0.161CC..Hα-helixtrans-65.2-44.4172-66.8-164.8-172.3124.911.2112.2P310 N312 Y313 R318 L319 E405 I406 E408P310-R316 HydrophobicContact CB-CB 4.5Å; P310-R316 HydrophobicContact CB-CG 3.54Å; P310-R316 HydrophobicContact CG-CG 3.6Å; N312-R316 PolarHBondContact O-N 3.29Å; Y313-R316 WeakPolarHBondContact O-CB 3.14Å; Y313-R316 PolarHBondContact O-N 3.4Å; Y313-R316 VanDerWaalsContact O-N 3.13Å; R316-R318 PolarHBondContact O-N 2.91Å; R316-L319 WeakPolarHBondContact O-CB 3.48Å; R316-L319 PolarHBondContact O-N 3.3Å; R316-E405 PolarHBondContact NE-O 2.93Å; R316-E405 PolarHBondContact NH2-O 3.25Å; R316-I406 VanDerWaalsContact CD-O 3.3Å; R316-I406 WeakPolarHBondContact CD-O 3.39Å; R316-I406 PolarHBondContact NE-O 2.89Å; R316-E408 VanDerWaalsContact CZ-CG 3.46Å; R316-E408 IonicContact CZ-OE1 2.95Å; R316-E408 VanDerWaalsContact NH1-CG 3.31Å; R316-E408 IonicContact NH1-OE1 3.44Å; R316-E408 PolarHBondContact NH1-OE1 3.27Å; R316-E408 IonicContact NH1-OE2 3.35Å; R316-E408 VanDerWaalsContact NH2-CD 3.35Å; R316-E408 IonicContact NH2-OE1 3.4Å; R316-E408 PolarHBondContact NH2-OE1 2.74Å
317I84.6Confident82.9Confident2 Ų231.9 Ų31.91%0.0116%0.155CC..Hα-helixtrans-55.1-40.9174-73167000110.8Y313 L319 N320 P973 L1043Y313-I317 HydrophobicContact CD1-CD1 3.69Å; Y313-I317 HydrophobicContact CD1-CG1 4.49Å; Y313-I317 HydrophobicContact CE1-CD1 3.36Å; Y313-I317 HydrophobicContact CE1-CG1 4.16Å; Y313-I317 HydrophobicContact CE2-CG1 4.46Å; Y313-I317 HydrophobicContact CG-CD1 4.4Å; Y313-I317 PolarHBondContact O-N 3.26Å; I317-L319 VanDerWaalsContact C-N 3.29Å; I317-L319 PolarHBondContact O-N 3.22Å; I317-N320 PolarHBondContact O-N 3.02Å; I317-N320 VanDerWaalsContact O-N 3.13Å; I317-P973 VanDerWaalsContact CG2-CD 3.43Å; I317-P973 HydrophobicContact CG2-CG 3.83Å; I317-L1043 HydrophobicContact CD1-CD1 3.95Å
318R82.2Confident83.5Confident58 Ų5834.2 Ų34.222%0.21917%0.165CC..Hα-helixtrans-63.8-30.8178.2-73.3173.7-178.2175.21.3113.3L162 K163 H164 I314 Q315 R316 N320 T321L162-R318 HydrophobicContact CD2-CB 4.38Å; L162-R318 PolarHBondContact O-NH1 2.99Å; K163-R318 PolarHBondContact O-NH1 3.46Å; H164-R318 PolarHBondContact O-NH1 3.2Å; I314-R318 WeakPolarHBondContact O-CG 3.25Å; I314-R318 PolarHBondContact O-N 2.97Å; Q315-R318 WeakPolarHBondContact O-CB 3.49Å; Q315-R318 PolarHBondContact O-N 2.99Å; R316-R318 PolarHBondContact O-N 2.91Å; R318-N320 PolarHBondContact O-N 3.09Å; R318-T321 WeakPolarHBondContact O-CB 3.45Å; R318-T321 PolarHBondContact O-N 3.28Å; R318-T321 PolarHBondContact O-OG1 3.32Å
319L83Confident84.2Confident17 Ų1733.7 Ų33.79%0.08916%0.162CC..Hα-helixtrans-60.8-27175.2-65.7173.4000112.1I157 L162 V308 P310 Q315 R316 I317 T321 I322 I406I157-L319 HydrophobicContact CD1-CD2 3.47Å; I157-L319 VanDerWaalsContact CD1-CD2 3.47Å; L162-L319 HydrophobicContact CD2-CD2 3.78Å; L162-L319 HydrophobicContact CD2-CG 4.23Å; V308-L319 HydrophobicContact CG1-CD2 4.41Å; P310-L319 HydrophobicContact CB-CD1 4.28Å; P310-L319 HydrophobicContact CG-CD1 4.03Å; Q315-L319 PolarHBondContact O-N 3.35Å; R316-L319 WeakPolarHBondContact O-CB 3.48Å; R316-L319 PolarHBondContact O-N 3.3Å; I317-L319 VanDerWaalsContact C-N 3.29Å; I317-L319 PolarHBondContact O-N 3.22Å; L319-T321 PolarHBondContact O-N 3.27Å; L319-I322 VanDerWaalsContact O-CD1 3.24Å; L319-I322 WeakPolarHBondContact O-CD1 3.36Å; L319-I322 WeakPolarHBondContact O-CG1 3.33Å; L319-I406 HydrophobicContact CD1-CD1 4.29Å; L319-I406 HydrophobicContact CD1-CG1 3.91Å; L319-I406 HydrophobicContact CD1-CG2 4.44Å
320N84.4Confident84.6Confident33 Ų3331 Ų3118%0.17615%0.152CC..G310 helixtrans-77.2-6177.4-64.2-37.2000113.7I317 R318 I322 W323 S971 F972 M1103I317-N320 PolarHBondContact O-N 3.02Å; I317-N320 VanDerWaalsContact O-N 3.13Å; R318-N320 PolarHBondContact O-N 3.09Å; N320-I322 VanDerWaalsContact C-N 3.27Å; N320-I322 PolarHBondContact O-N 3.14Å; N320-W323 VanDerWaalsContact O-CD1 3.25Å; N320-S971 PolarHBondContact ND2-N 3.5Å; N320-S971 VanDerWaalsContact ND2-N 3.11Å; N320-S971 PolarHBondContact ND2-O 3.48Å; N320-F972 HydrophobicContact CB-CD1 4.3Å; N320-F972 HydrophobicContact CB-CE1 3.63Å; N320-F972 HydrophobicContact CB-CZ 3.92Å; N320-M1103 VanDerWaalsContact O-SD 3.35Å
321T81.2Confident84.9Confident35 Ų3531.3 Ų31.322%0.21515%0.153CC..G310 helixtrans-83.4-2.7-179.366.60000113.9R318 L319 V1099R318-T321 WeakPolarHBondContact O-CB 3.45Å; R318-T321 PolarHBondContact O-N 3.28Å; R318-T321 PolarHBondContact O-OG1 3.32Å; L319-T321 PolarHBondContact O-N 3.27Å; T321-V1099 HydrophobicContact CG2-CG2 3.54Å
322I84.5Confident85.3Confident15 Ų1527.7 Ų27.78%0.07713%0.133CC..G310 helixtrans-88.3-15.6-170.968.2-175.3000115A154 H155 I157 L319 N320 L324 M371A154-I322 HydrophobicContact CB-CD1 3.97Å; A154-I322 HydrophobicContact CB-CG1 3.82Å; H155-I322 HydrophobicContact CB-CB 4.47Å; H155-I322 PolarHBondContact N-O 2.88Å; H155-I322 PolarHBondContact ND1-O 3.24Å; I157-I322 HydrophobicContact CD1-CB 4.21Å; I157-I322 HydrophobicContact CD1-CD1 3.45Å; I157-I322 VanDerWaalsContact CD1-CD1 3.45Å; I157-I322 HydrophobicContact CD1-CG1 4.35Å; I157-I322 HydrophobicContact CD1-CG2 3.34Å; I157-I322 HydrophobicContact CG1-CB 4.34Å; I157-I322 HydrophobicContact CG1-CD1 4.28Å; I157-I322 HydrophobicContact CG1-CG2 3.42Å; I157-I322 VanDerWaalsContact CG1-CG2 3.42Å; L319-I322 VanDerWaalsContact O-CD1 3.24Å; L319-I322 WeakPolarHBondContact O-CD1 3.36Å; L319-I322 WeakPolarHBondContact O-CG1 3.33Å; N320-I322 VanDerWaalsContact C-N 3.27Å; N320-I322 PolarHBondContact O-N 3.14Å; I322-L324 PolarHBondContact O-N 2.64Å; I322-M371 HydrophobicContact CD1-CE 3.84Å
323W89.9Confident85.4Confident25 Ų2524.7 Ų24.710%0.09512%0.116CC..BIsolated β-bridgetrans-63.2136.8-174.7-65.8107.6000110.6A154 N320 R373 K375 M1103 F1107A154-W323 HydrophobicContact CB-CD2 4.4Å; A154-W323 HydrophobicContact CB-CE3 3.86Å; A154-W323 HydrophobicContact CB-CZ3 4.12Å; N320-W323 VanDerWaalsContact O-CD1 3.25Å; W323-R373 HydrophobicContact CH2-CB 3.66Å; W323-R373 HydrophobicContact CZ3-CB 4.15Å; W323-K375 HydrophobicContact CD2-CD 4.09Å; W323-K375 HydrophobicContact CD2-CG 4.07Å; W323-K375 HydrophobicContact CE3-CB 4.23Å; W323-K375 HydrophobicContact CE3-CD 3.97Å; W323-K375 HydrophobicContact CE3-CG 4.11Å; W323-K375 HydrophobicContact CG-CD 4.47Å; W323-K375 HydrophobicContact CH2-CB 3.66Å; W323-K375 HydrophobicContact CH2-CG 4.12Å; W323-K375 HydrophobicContact CZ2-CB 4.09Å; W323-K375 HydrophobicContact CZ2-CG 4.11Å; W323-K375 HydrophobicContact CZ3-CB 3.76Å; W323-K375 HydrophobicContact CZ3-CD 4.36Å; W323-K375 HydrophobicContact CZ3-CG 4.14Å; W323-M1103 HydrophobicContact CB-CE 4.4Å; W323-M1103 VanDerWaalsContact O-CE 3.27Å; W323-M1103 WeakPolarHBondContact O-CE 3.4Å; W323-F1107 AromaticContact CD1-CE2 3.83Å; W323-F1107 AromaticContact CD1-CZ 3.51Å; W323-F1107 HydrophobicContact CG-CE2 4.4Å; W323-F1107 HydrophobicContact CG-CZ 4.16Å; W323-F1107 AromaticContact NE1-CZ 3.65Å
324L89.4Confident85Confident0 Ų024.4 Ų24.40%012%0.122CC..  trans-73.8149.2169.2-66.6173.3000109.7V132 L153 H155 I322 S326 L330 Q333 I335 L370V132-L324 HydrophobicContact CG1-CB 4.13Å; V132-L324 HydrophobicContact CG2-CB 4.25Å; V132-L324 HydrophobicContact CG2-CD1 4.32Å; L153-L324 HydrophobicContact CB-CD1 3.73Å; L153-L324 WeakPolarHBondContact O-CB 3.35Å; L153-L324 PolarHBondContact O-N 3.42Å; H155-L324 WeakPolarHBondContact CE1-CD2 3.33Å; I322-L324 PolarHBondContact O-N 2.64Å; L324-S326 PolarHBondContact O-N 2.81Å; L324-L330 HydrophobicContact CD1-CD2 3.91Å; L324-Q333 VanDerWaalsContact CA-OE1 3.31Å; L324-Q333 HydrophobicContact CD2-CB 4.21Å; L324-I335 HydrophobicContact CD1-CD1 3.66Å; L324-I335 HydrophobicContact CD2-CD1 3.79Å; L324-I335 HydrophobicContact CG-CD1 4.44Å; L324-L370 HydrophobicContact CD1-CD1 3.87Å; L324-L370 HydrophobicContact CD1-CD2 4.13Å
325D87.6Confident84.9Confident23 Ų2322.1 Ų22.112%0.12311%0.11CC..  trans-71.1111.5173-178.5-8.3000108.6S327 K328 Q333 R1102D325-S327 PolarHBondContact O-N 3.2Å; D325-S327 WeakPolarHBondContact OD1-CB 3.41Å; D325-S327 PolarHBondContact OD1-N 2.73Å; D325-S327 VanDerWaalsContact OD1-N 3.08Å; D325-S327 PolarHBondContact OD1-OG 3.4Å; D325-S327 PolarHBondContact OD2-OG 2.9Å; D325-K328 HydrophobicContact CB-CB 4.42Å; D325-K328 HydrophobicContact CB-CD 4.41Å; D325-K328 HydrophobicContact CB-CG 4.46Å; D325-K328 PolarHBondContact O-N 3.41Å; D325-K328 WeakPolarHBondContact OD2-CD 3.33Å; D325-K328 WeakPolarHBondContact OD2-CE 3.47Å; D325-K328 WeakPolarHBondContact OD2-CG 3.24Å; D325-Q333 PolarHBondContact O-NE2 2.9Å; D325-R1102 WeakPolarHBondContact OD2-CD 3.19Å; D325-R1102 IonicContact OD2-NE 2.83Å
326S87.9Confident84.4Confident4 Ų423.3 Ų23.33%0.02812%0.115CC..THydrogen-bonded Turntrans-62.2-17-177.1-61.30000113.7F133 L324 E1106F133-S326 WeakPolarHBondContact CB-O 3.3Å; F133-S326 PolarHBondContact N-O 2.97Å; F133-S326 VanDerWaalsContact N-O 3.15Å; L324-S326 PolarHBondContact O-N 2.81Å; S326-E1106 WeakPolarHBondContact CB-OE1 3.23Å; S326-E1106 PolarHBondContact N-OE1 2.94Å; S326-E1106 PolarHBondContact OG-OE1 2.87Å
327S85.8Confident83.8Confident5 Ų522.1 Ų22.14%0.03511%0.111CC..THydrogen-bonded Turntrans-88.5-15.7-177.571.70000115.1D325 T1135D325-S327 PolarHBondContact O-N 3.2Å; D325-S327 WeakPolarHBondContact OD1-CB 3.41Å; D325-S327 PolarHBondContact OD1-N 2.73Å; D325-S327 VanDerWaalsContact OD1-N 3.08Å; D325-S327 PolarHBondContact OD1-OG 3.4Å; D325-S327 PolarHBondContact OD2-OG 2.9Å; S327-T1135 VanDerWaalsContact CB-CG2 3.46Å; S327-T1135 WeakPolarHBondContact OG-CG2 3.32Å
328K85.8Confident82.5Confident64 Ų6424.9 Ų24.928%0.27813%0.131SC..SBendtrans-105.8158.4-177.6-69.2-176-178.3-173.20111.6P131 V132 D325 E332 Q333P131-K328 WeakPolarHBondContact CA-O 3.26Å; V132-K328 WeakPolarHBondContact CG2-O 3.48Å; V132-K328 PolarHBondContact N-O 3.44Å; D325-K328 HydrophobicContact CB-CB 4.42Å; D325-K328 HydrophobicContact CB-CD 4.41Å; D325-K328 HydrophobicContact CB-CG 4.46Å; D325-K328 PolarHBondContact O-N 3.41Å; D325-K328 WeakPolarHBondContact OD2-CD 3.33Å; D325-K328 WeakPolarHBondContact OD2-CE 3.47Å; D325-K328 WeakPolarHBondContact OD2-CG 3.24Å; K328-E332 WeakPolarHBondContact CA-OE2 3.41Å; K328-E332 HydrophobicContact CB-CB 4.23Å; K328-E332 WeakPolarHBondContact CB-OE2 2.91Å; K328-Q333 HydrophobicContact CB-CG 4.06Å; K328-Q333 HydrophobicContact CD-CG 4.45Å; K328-Q333 PolarHBondContact O-NE2 3.08Å
329S88.5Confident81.1Confident3 Ų324.1 Ų24.12%0.02114%0.141CC..BIsolated β-bridgetrans-72.5165173.472.70000112W83 F128 E130 E332 Q333W83-S329 PolarHBondContact NE1-OG 2.84Å; F128-S329 WeakPolarHBondContact O-CB 3.28Å; E130-S329 WeakPolarHBondContact O-CA 3.44Å; S329-E332 PolarHBondContact N-OE2 2.97Å; S329-E332 WeakPolarHBondContact OG-CB 3.32Å; S329-E332 VanDerWaalsContact OG-CG 3.28Å; S329-E332 WeakPolarHBondContact OG-CG 3.43Å; S329-E332 PolarHBondContact OG-N 2.99Å; S329-E332 PolarHBondContact OG-OE1 2.97Å; S329-Q333 WeakPolarHBondContact O-CG 3.46Å; S329-Q333 PolarHBondContact O-NE2 3.39Å
330L87Confident79.6Confident0 Ų025.2 Ų25.20%014%0.144CC..THydrogen-bonded Turntrans-65.3-41.9178.9-71.3172.7000111.4L111 V126 F128 V132 V135 L153 L324 Q333 I335 L370L111-L330 HydrophobicContact CD2-CD1 4.18Å; V126-L330 HydrophobicContact CG1-CD1 4.29Å; F128-L330 HydrophobicContact CD1-CB 3.75Å; F128-L330 HydrophobicContact CD1-CD1 4.26Å; F128-L330 HydrophobicContact CE1-CB 4.2Å; F128-L330 HydrophobicContact CE1-CD1 4.3Å; F128-L330 HydrophobicContact CG-CB 4.44Å; V132-L330 HydrophobicContact CG2-CD2 3.62Å; V132-L330 HydrophobicContact CG2-CG 4.14Å; V135-L330 HydrophobicContact CG1-CD1 4.17Å; V135-L330 HydrophobicContact CG2-CD1 4.49Å; L153-L330 HydrophobicContact CD1-CD2 4.32Å; L324-L330 HydrophobicContact CD1-CD2 3.91Å; L330-Q333 PolarHBondContact O-N 3.47Å; L330-I335 HydrophobicContact CB-CB 4.43Å; L330-I335 HydrophobicContact CB-CD1 4.25Å; L330-I335 HydrophobicContact CD2-CD1 3.53Å; L330-I335 HydrophobicContact CG-CD1 4.5Å; L330-I335 WeakPolarHBondContact O-CB 3.43Å; L330-I335 PolarHBondContact O-N 3.29Å; L330-L370 HydrophobicContact CD2-CD1 3.82Å
331L85.9Confident77.6Confident9 Ų926.5 Ų26.55%0.04716%0.156CC..G310 helixtrans-68.9-35-179.1-165.266.7000112.1W76 W83 L105 Q333 G334 I335 M337W76-L331 HydrophobicContact CB-CD2 4.44Å; W76-L331 HydrophobicContact CD2-CD2 3.4Å; W76-L331 VanDerWaalsContact CD2-CD2 3.4Å; W76-L331 HydrophobicContact CD2-CG 4.21Å; W76-L331 HydrophobicContact CE3-CD2 3.73Å; W76-L331 HydrophobicContact CE3-CG 4.44Å; W76-L331 HydrophobicContact CG-CD2 3.73Å; W76-L331 HydrophobicContact CH2-CB 4.25Å; W76-L331 HydrophobicContact CH2-CD2 4.19Å; W76-L331 HydrophobicContact CH2-CG 4.01Å; W76-L331 HydrophobicContact CZ2-CB 4.48Å; W76-L331 HydrophobicContact CZ2-CD2 3.92Å; W76-L331 HydrophobicContact CZ2-CG 3.77Å; W76-L331 HydrophobicContact CZ3-CB 4.44Å; W76-L331 HydrophobicContact CZ3-CD2 4.11Å; W76-L331 HydrophobicContact CZ3-CG 4.35Å; W83-L331 HydrophobicContact CH2-CD2 3.92Å; W83-L331 HydrophobicContact CZ2-CB 4.11Å; W83-L331 HydrophobicContact CZ2-CD2 3.28Å; W83-L331 HydrophobicContact CZ2-CG 4.32Å; L105-L331 HydrophobicContact CD1-CD2 4.04Å; L331-Q333 PolarHBondContact O-N 3.06Å; L331-G334 PolarHBondContact O-N 3.27Å; L331-G334 VanDerWaalsContact O-N 3.08Å; L331-I335 WeakPolarHBondContact CD1-O 3.49Å; L331-M337 HydrophobicContact CD1-CE 4.15Å; L331-M337 HydrophobicContact CD2-CE 3.91Å
332E85.7Confident76Confident38 Ų3827.9 Ų27.918%0.17816%0.164CC..G310 helixtrans-57.2-28.1171.6-90.4155.8-129.400114W76 S81 K328 S329 G334W76-E332 HydrophobicContact CH2-CG 4.03Å; W76-E332 HydrophobicContact CZ3-CG 4.23Å; S81-E332 WeakPolarHBondContact O-CG 3.26Å; K328-E332 WeakPolarHBondContact CA-OE2 3.41Å; K328-E332 HydrophobicContact CB-CB 4.23Å; K328-E332 WeakPolarHBondContact CB-OE2 2.91Å; S329-E332 PolarHBondContact N-OE2 2.97Å; S329-E332 WeakPolarHBondContact OG-CB 3.32Å; S329-E332 VanDerWaalsContact OG-CG 3.28Å; S329-E332 WeakPolarHBondContact OG-CG 3.43Å; S329-E332 PolarHBondContact OG-N 2.99Å; S329-E332 PolarHBondContact OG-OE1 2.97Å; E332-G334 VanDerWaalsContact C-N 3.34Å
333Q83.4Confident73.5Confident26 Ų2631.7 Ų31.712%0.12119%0.185CC..G310 helixtrans-93.25.7-178.6-63.5-176.66300112.7L324 D325 K328 S329 L330 L331L324-Q333 VanDerWaalsContact CA-OE1 3.31Å; L324-Q333 HydrophobicContact CD2-CB 4.21Å; D325-Q333 PolarHBondContact O-NE2 2.9Å; K328-Q333 HydrophobicContact CB-CG 4.06Å; K328-Q333 HydrophobicContact CD-CG 4.45Å; K328-Q333 PolarHBondContact O-NE2 3.08Å; S329-Q333 WeakPolarHBondContact O-CG 3.46Å; S329-Q333 PolarHBondContact O-NE2 3.39Å; L330-Q333 PolarHBondContact O-N 3.47Å; L331-Q333 PolarHBondContact O-N 3.06Å
334G77.1Confident70.8Confident23 Ų2338.3 Ų38.324%0.23722%0.216CC..THydrogen-bonded Turntrans86.61217800000114.3Y171 L331 E332 K336Y171-G334 WeakPolarHBondContact CB-O 3.41Å; L331-G334 PolarHBondContact O-N 3.27Å; L331-G334 VanDerWaalsContact O-N 3.08Å; E332-G334 VanDerWaalsContact C-N 3.34Å; G334-K336 PolarHBondContact O-N 2.7Å
335I80.9Confident68Low10 Ų1047.3 Ų47.35%0.05126%0.259CS..  trans-81.3106.4176.3-56.7164.9000108.1F128 L324 L330 L331 P368 L370F128-I335 HydrophobicContact CE1-CG2 4.13Å; L324-I335 HydrophobicContact CD1-CD1 3.66Å; L324-I335 HydrophobicContact CD2-CD1 3.79Å; L324-I335 HydrophobicContact CG-CD1 4.44Å; L330-I335 HydrophobicContact CB-CB 4.43Å; L330-I335 HydrophobicContact CB-CD1 4.25Å; L330-I335 HydrophobicContact CD2-CD1 3.53Å; L330-I335 HydrophobicContact CG-CD1 4.5Å; L330-I335 WeakPolarHBondContact O-CB 3.43Å; L330-I335 PolarHBondContact O-N 3.29Å; L331-I335 WeakPolarHBondContact CD1-O 3.49Å; I335-P368 HydrophobicContact CG2-CB 3.69Å; I335-P368 HydrophobicContact CG2-CG 4.07Å; I335-L370 HydrophobicContact CD1-CD1 3.91Å; I335-L370 HydrophobicContact CD1-CD2 3.91Å; I335-L370 HydrophobicContact CD1-CG 4.48Å
336K73.5Confident65.3Low55 Ų5552.9 Ų52.924%0.23929%0.288CS..PPolyproline II helixtrans-74.6135.7-177.1-66.2179.1176.2-178.60111.2Y171 G334 Y340 T342 P368Y171-K336 HydrophobicContact CD1-CD 3.93Å; Y171-K336 HydrophobicContact CE1-CD 3.97Å; G334-K336 PolarHBondContact O-N 2.7Å; K336-Y340 HydrophobicContact CB-CD1 4.2Å; K336-Y340 HydrophobicContact CD-CD1 3.83Å; K336-Y340 HydrophobicContact CG-CD1 3.7Å; K336-Y340 HydrophobicContact CG-CE1 4.31Å; K336-Y340 HydrophobicContact CG-CG 4.47Å; K336-T342 HydrophobicContact CD-CG2 4.4Å; K336-T342 PolarHBondContact NZ-OG1 3.1Å; K336-P368 VanDerWaalsContact O-CG 3.31Å; K336-P368 WeakPolarHBondContact O-CG 3.34Å
337M70.8Confident62.5Low19 Ų1957.9 Ų57.99%0.09432%0.323CS..PPolyproline II helixtrans-70.2145.2167.4-65.6177.9-73.200109.6W83 L105 F128 L331 G339 Y340W83-M337 HydrophobicContact CH2-CE 4.21Å; W83-M337 HydrophobicContact CZ2-CE 4.36Å; L105-M337 HydrophobicContact CB-CE 3.97Å; L105-M337 HydrophobicContact CD1-CE 3.63Å; L105-M337 HydrophobicContact CG-CE 4.3Å; F128-M337 HydrophobicContact CB-CG 4.26Å; F128-M337 HydrophobicContact CB-SD 3.77Å; F128-M337 HydrophobicContact CD1-CG 3.46Å; F128-M337 VanDerWaalsContact CD1-CG 3.46Å; F128-M337 HydrophobicContact CD1-SD 4.14Å; F128-M337 HydrophobicContact CD2-CG 3.79Å; F128-M337 HydrophobicContact CD2-SD 3.94Å; F128-M337 HydrophobicContact CE1-CG 3.6Å; F128-M337 HydrophobicContact CE2-CG 3.95Å; F128-M337 HydrophobicContact CG-CG 3.56Å; F128-M337 HydrophobicContact CG-SD 3.69Å; F128-M337 HydrophobicContact CZ-CG 3.86Å; L331-M337 HydrophobicContact CD1-CE 4.15Å; L331-M337 HydrophobicContact CD2-CE 3.91Å; M337-G339 PolarHBondContact O-N 2.88Å; M337-Y340 VanDerWaalsContact O-CB 3.25Å; M337-Y340 WeakPolarHBondContact O-CB 3.44Å; M337-Y340 PolarHBondContact O-N 3.5Å
338S58.5Low59.8Low61 Ų6162 Ų6243%0.42735%0.352SS..THydrogen-bonded Turntrans-58.2121.4174.8-171.40000109.7
339G52Low57.1Low42 Ų4265.3 Ų65.343%0.43338%0.379SS..THydrogen-bonded Turntrans111.7-13.2-172.400000115M337 S341M337-G339 PolarHBondContact O-N 2.88Å; G339-S341 PolarHBondContact O-N 3.44Å; G339-S341 VanDerWaalsContact O-N 3.15Å
340Y52.3Low54.4Low40 Ų4069.7 Ų69.716%0.15741%0.41CS..  trans-77.798.4-177-168-98.7000113L105 K336 M337 T342L105-Y340 HydrophobicContact CD1-CE2 4.29Å; K336-Y340 HydrophobicContact CB-CD1 4.2Å; K336-Y340 HydrophobicContact CD-CD1 3.83Å; K336-Y340 HydrophobicContact CG-CD1 3.7Å; K336-Y340 HydrophobicContact CG-CE1 4.31Å; K336-Y340 HydrophobicContact CG-CG 4.47Å; M337-Y340 VanDerWaalsContact O-CB 3.25Å; M337-Y340 WeakPolarHBondContact O-CB 3.44Å; M337-Y340 PolarHBondContact O-N 3.5Å; Y340-T342 HydrophobicContact CD1-CG2 3.77Å; Y340-T342 HydrophobicContact CE1-CG2 3.37Å
341S42.4Very low52Low60 Ų6076 Ų7642%0.4245%0.448SS..  trans-81.3122.7169.1-175.70000111.1R103 G339 N343R103-S341 PolarHBondContact NH1-O 3.31Å; R103-S341 PolarHBondContact NH2-O 3.32Å; R103-S341 VanDerWaalsContact NH2-O 3.11Å; G339-S341 PolarHBondContact O-N 3.44Å; G339-S341 VanDerWaalsContact O-N 3.15Å; S341-N343 PolarHBondContact OG-N 3.43Å
342T46.8Very low49.4Very low64 Ų6483.1 Ų83.139%0.39349%0.486SS..  trans-89.6-3.1171.942.80000113.8K336 Y340 H344K336-T342 HydrophobicContact CD-CG2 4.4Å; K336-T342 PolarHBondContact NZ-OG1 3.1Å; Y340-T342 HydrophobicContact CD1-CG2 3.77Å; Y340-T342 HydrophobicContact CE1-CG2 3.37Å; T342-H344 PolarHBondContact O-N 3Å
343N32.4Very low46.9Very low94 Ų9492.8 Ų92.850%0.50352%0.521SS..  trans-105.476-165.2-67.3-12.3000111.9S341 D363S341-N343 PolarHBondContact OG-N 3.43Å; N343-D363 PolarHBondContact ND2-OD2 3.15Å
344H33Very low44.4Very low164 Ų16496.7 Ų96.776%0.75955%0.549SS*.  trans-136.277.4148.7-78.4-55.2000108.6T342 L346T342-H344 PolarHBondContact O-N 3Å; H344-L346 PolarHBondContact O-N 3.01Å; H344-L346 VanDerWaalsContact O-N 3.1Å
345Q30.3Very low42.3Very low190 Ų190103.2 Ų103.289%0.88858%0.578SS**  trans-58.7110.3150.3-75.3-176.3-2.500105.8S347Q345-S347 VanDerWaalsContact C-N 3.31Å; Q345-S347 PolarHBondContact O-N 2.78Å
346L30.7Very low40Very low140 Ų140107.7 Ų107.773%0.73361%0.61SS**  trans-57.8101.6164.8-80.7101000107H344 S348H344-L346 PolarHBondContact O-N 3.01Å; H344-L346 VanDerWaalsContact O-N 3.1Å; L346-S348 PolarHBondContact O-N 2.87Å; L346-S348 VanDerWaalsContact O-N 3.09Å
347S30.1Very low38.1Very low109 Ų109111.1 Ų111.176%0.76264%0.639SS**  trans-66.3104.5169.250.50000108.2Q345Q345-S347 VanDerWaalsContact C-N 3.31Å; Q345-S347 PolarHBondContact O-N 2.78Å
348S29.1Very low36.2Very low92 Ų92118.1 Ų118.164%0.64367%0.674SS**  trans-48.4138153.746.40000110.2L346 S350L346-S348 PolarHBondContact O-N 2.87Å; L346-S348 VanDerWaalsContact O-N 3.09Å; S348-S350 PolarHBondContact O-N 3.06Å
349P29.4Very low34.8Very low132 Ų132120 Ų12086%0.85769%0.688SS**  trans-84.196.9-179.333.2-28.9000108.8
350S32.1Very low33.7Very low95 Ų95122.8 Ų122.866%0.66470%0.7SS**  trans-162.3115.3165.947.30000114.7S348S348-S350 PolarHBondContact O-N 3.06Å
351V36.7Very low32.7Very low134 Ų134128.5 Ų128.581%0.81273%0.728SS**  trans80.889.1145.8-169.80000117.5R353V351-R353 PolarHBondContact O-N 3.27Å
352N30.1Very low32.1Very low158 Ų158132.7 Ų132.785%0.84575%0.746SS**  trans3106.5137.8-62.9-18.5000117
353R32.5Very low31.5Very low241 Ų241134.6 Ų134.691%0.90975%0.754SS**  trans-137.1116.8145.1-105.7-176.4-172.7-169.72.1109V351V351-R353 PolarHBondContact O-N 3.27Å
354P32.3Very low31.9Very low108 Ų108138.1 Ų138.170%0.70177%0.768SS**  trans-79.9153.1172.633.7-30000109.6
355N32.6Very low32.9Very low159 Ų159138.4 Ų138.485%0.8576%0.763SS**  trans96.474.7167.1-48.3-19.5000116.7
356S33.4Very low34.6Very low104 Ų104134.4 Ų134.473%0.72775%0.752SS**  trans-144.1140.2139.558.60000108.4I358S356-I358 PolarHBondContact O-N 3.27Å
357P32.6Very low36.7Very low128 Ų128129.7 Ų129.783%0.83173%0.727SS**  trans-69.3124.9-171.229.1-33.7000109.9S359P357-S359 PolarHBondContact O-N 3.47Å; P357-S359 VanDerWaalsContact O-N 3.11Å
358I30.3Very low39.1Very low165 Ų165125.6 Ų125.685%0.84670%0.698SS**  trans-61.3108.7173.2-65.6159.3000107.6S356S356-I358 PolarHBondContact O-N 3.27Å
359S29.5Very low41.7Very low102 Ų102123.3 Ų123.371%0.71368%0.68SS**  trans-87.410415949.80000107P357 Q361P357-S359 PolarHBondContact O-N 3.47Å; P357-S359 VanDerWaalsContact O-N 3.11Å; S359-Q361 PolarHBondContact O-N 3.09Å
360S28.4Very low44.6Very low99 Ų99117.2 Ų117.269%0.69264%0.64SS**  trans-65.295.5169.649.60000109.2N362S360-N362 PolarHBondContact O-N 3.25Å
361Q32.6Very low47.4Very low160 Ų160113.5 Ų113.575%0.74861%0.613SS**  trans-81100.1162.7-74.4-168.8-24.300107.9S359 D363S359-Q361 PolarHBondContact O-N 3.09Å; Q361-D363 VanDerWaalsContact C-N 3.33Å; Q361-D363 PolarHBondContact O-N 2.99Å; Q361-D363 VanDerWaalsContact O-N 3.11Å
362N29Very low50Low149 Ų149107.1 Ų107.180%0.79757%0.574SS**  trans-67.396158.8-72.2-18.5000106.7S360 E364S360-N362 PolarHBondContact O-N 3.25Å; N362-E364 PolarHBondContact O-N 2.89Å
363D34.9Very low53Low104 Ų104101.3 Ų101.356%0.55654%0.54SS*.  trans-69.982.8169.8-80.1-22.9000108.3N343 Q361N343-D363 PolarHBondContact ND2-OD2 3.15Å; Q361-D363 VanDerWaalsContact C-N 3.33Å; Q361-D363 PolarHBondContact O-N 2.99Å; Q361-D363 VanDerWaalsContact O-N 3.11Å
364E40.6Very low55.8Low168 Ų16890.2 Ų90.279%0.78550%0.498SS*.  trans-65.8130.3175.5-146.1169.7-166.200109.1N362 T366N362-E364 PolarHBondContact O-N 2.89Å; E364-T366 PolarHBondContact O-N 2.89Å
365Y53.7Low58.7Low169 Ų16985.6 Ų85.666%0.66347%0.467SS*.  trans-63.185.3-175.5-64.4-90.5000112.3
366T66.1Low61.4Low106 Ų10678.2 Ų78.265%0.6543%0.428SS*.PPolyproline II helixtrans-89.3127176.959.40000111.4E364E364-T366 PolarHBondContact O-N 2.89Å
367I74.1Confident63.9Low42 Ų4274 Ų7422%0.21540%0.4CS..PPolyproline II helixtrans-60.9132.1173.3-60168.3000109.2N110 N112 E122 T369N110-I367 HydrophobicContact CB-CG2 4.24Å; N112-I367 HydrophobicContact CB-CG2 4.29Å; E122-I367 WeakPolarHBondContact OE1-CD1 3.41Å; I367-T369 PolarHBondContact O-N 3.5Å
368P81.2Confident66.5Low22 Ų2269.1 Ų69.114%0.14337%0.367CS..PPolyproline II helixtrans-61.8135.2179.227.3-36.7000110.8L111 N112 F128 I335 K336L111-P368 HydrophobicContact CD1-CB 4.27Å; L111-P368 HydrophobicContact CD1-CG 3.93Å; N112-P368 PolarHBondContact N-O 3.38Å; F128-P368 HydrophobicContact CZ-CG 4.46Å; I335-P368 HydrophobicContact CG2-CB 3.69Å; I335-P368 HydrophobicContact CG2-CG 4.07Å; K336-P368 VanDerWaalsContact O-CG 3.31Å; K336-P368 WeakPolarHBondContact O-CG 3.34Å
369T84.5Confident69.2Low44 Ų4462.9 Ų62.927%0.2733%0.333SS..EExtended strand (participates in β ladder)trans-111.3123.8177-55.20000110.3N112 I367N112-T369 HydrophobicContact CB-CG2 4.13Å; N112-T369 WeakPolarHBondContact CB-OG1 3.39Å; N112-T369 CarbonylContact O-C 3.56Å; N112-T369 VanDerWaalsContact O-CA 3.31Å; N112-T369 WeakPolarHBondContact O-CA 3.39Å; I367-T369 PolarHBondContact O-N 3.5Å
370L89.7Confident71.8Confident5 Ų559.3 Ų59.33%0.02630%0.304CS..EExtended strand (participates in β ladder)trans-117.2159.7175.3-63177.7000110.6L111 N112 I113 Q114 L153 L324 L330 I335L111-L370 HydrophobicContact CD1-CD1 3.71Å; L111-L370 HydrophobicContact CD1-CG 3.91Å; L111-L370 HydrophobicContact CD2-CD1 3.96Å; L111-L370 HydrophobicContact CG-CD1 4.36Å; N112-L370 PolarHBondContact O-N 3.46Å; I113-L370 CarbonylContact C-O 3.51Å; I113-L370 WeakPolarHBondContact CA-O 3.47Å; Q114-L370 PolarHBondContact N-O 3.36Å; L153-L370 HydrophobicContact CB-CD1 4.5Å; L153-L370 HydrophobicContact CD1-CD1 4.17Å; L324-L370 HydrophobicContact CD1-CD1 3.87Å; L324-L370 HydrophobicContact CD1-CD2 4.13Å; L330-L370 HydrophobicContact CD2-CD1 3.82Å; I335-L370 HydrophobicContact CD1-CD1 3.91Å; I335-L370 HydrophobicContact CD1-CD2 3.91Å; I335-L370 HydrophobicContact CD1-CG 4.48Å
371M89.7Confident74.3Confident17 Ų1758 Ų588%0.08429%0.289CS..EExtended strand (participates in β ladder)trans-103132.3174.1-58.1-168.3-72.700110.5Q114 L153 A154 H155 L156 I157 I322 R373Q114-M371 HydrophobicContact CB-CG 4.25Å; Q114-M371 PolarHBondContact OE1-SD 3.12Å; L153-M371 CarbonylContact C-O 3.57Å; L153-M371 WeakPolarHBondContact CA-O 3.06Å; A154-M371 HydrophobicContact CB-CB 4.33Å; A154-M371 HydrophobicContact CB-CE 4.34Å; A154-M371 PolarHBondContact N-O 2.91Å; A154-M371 PolarHBondContact O-N 3.02Å; H155-M371 WeakPolarHBondContact O-CE 3.42Å; L156-M371 HydrophobicContact CD1-CG 3.97Å; L156-M371 HydrophobicContact CD1-SD 3.99Å; I157-M371 HydrophobicContact CD1-CE 4.45Å; I322-M371 HydrophobicContact CD1-CE 3.84Å; M371-R373 HydrophobicContact CB-CG 4.27Å
372L92.7Very high76.8Confident0 Ų052.4 Ų52.40%026%0.264CS..EExtended strand (participates in β ladder)trans-95118.7166.6-179.867.2000108.5I113 Q114 L115 P116 T136 I139 L143 L151 L153I113-L372 HydrophobicContact CG2-CB 3.61Å; Q114-L372 PolarHBondContact O-N 3.09Å; L115-L372 HydrophobicContact CD2-CD2 4.01Å; P116-L372 WeakPolarHBondContact CD-O 3.36Å; P116-L372 WeakPolarHBondContact CG-O 3.45Å; T136-L372 HydrophobicContact CG2-CD1 3.98Å; I139-L372 HydrophobicContact CG2-CD2 4.22Å; L143-L372 HydrophobicContact CD1-CD2 4Å; L151-L372 HydrophobicContact CB-CD1 4.01Å; L151-L372 HydrophobicContact CD2-CD1 4.06Å; L151-L372 HydrophobicContact CD2-CD2 4.18Å; L151-L372 HydrophobicContact CD2-CG 3.96Å; L153-L372 HydrophobicContact CD2-CB 4.27Å; L153-L372 HydrophobicContact CD2-CD1 4Å
373R92.2Very high79.3Confident35 Ų3547.6 Ų47.613%0.13224%0.239CC..EExtended strand (participates in β ladder)trans-139.5151.8-179-62.6-66.8179.4-178-6.7110.4P116 L151 S152 W323 M371 K375 Q397P116-R373 PolarHBondContact O-NH1 3.37Å; L151-R373 WeakPolarHBondContact CA-O 3.35Å; S152-R373 PolarHBondContact N-O 3.09Å; S152-R373 VanDerWaalsContact N-O 3.08Å; S152-R373 PolarHBondContact O-N 3.4Å; W323-R373 HydrophobicContact CH2-CB 3.66Å; W323-R373 HydrophobicContact CZ3-CB 4.15Å; M371-R373 HydrophobicContact CB-CG 4.27Å; R373-K375 PolarHBondContact O-N 3.21Å; R373-Q397 VanDerWaalsContact CA-OE1 3.28Å
374Y93Very high81.6Confident8 Ų846.1 Ų46.13%0.03123%0.23CC..EExtended strand (participates in β ladder)trans-66.4116.9167.3-63.8-92.1000108.5P116 E150 L151 Y379 R390 Q393 L394 Q397P116-Y374 HydrophobicContact CG-CE2 4.33Å; E150-Y374 HydrophobicContact CB-CD1 4.25Å; E150-Y374 CarbonylContact O-C 3.56Å; E150-Y374 WeakPolarHBondContact O-CA 3.19Å; L151-Y374 HydrophobicContact CD1-CD1 4.03Å; L151-Y374 HydrophobicContact CD1-CE1 3.72Å; L151-Y374 HydrophobicContact CD2-CD1 4.31Å; L151-Y374 HydrophobicContact CD2-CE1 4.07Å; L151-Y374 HydrophobicContact CD2-CE2 4.26Å; L151-Y374 HydrophobicContact CG-CD1 3.79Å; L151-Y374 HydrophobicContact CG-CE1 3.83Å; L151-Y374 HydrophobicContact CG-CG 4.25Å; Y374-Y379 HydrophobicContact CD1-CD1 4.33Å; Y374-Y379 AromaticContact CD1-CE1 4Å; Y374-Y379 HydrophobicContact CD1-CE1 4Å; Y374-Y379 HydrophobicContact CG-CE1 4.29Å; Y374-R390 PolarHBondContact OH-O 3.03Å; Y374-R390 VanDerWaalsContact OH-O 3.13Å; Y374-Q393 HydrophobicContact CE2-CB 4.47Å; Y374-L394 HydrophobicContact CD1-CD1 4.03Å; Y374-L394 HydrophobicContact CD2-CD1 3.68Å; Y374-L394 HydrophobicContact CE1-CD1 4.17Å; Y374-L394 HydrophobicContact CE2-CB 3.95Å; Y374-L394 HydrophobicContact CE2-CD1 3.86Å; Y374-L394 HydrophobicContact CG-CD1 3.8Å; Y374-Q397 HydrophobicContact CD2-CB 4.34Å; Y374-Q397 PolarHBondContact O-NE2 3.43Å
375K92Very high83.3Confident11 Ų1146 Ų465%0.04823%0.227CC..  trans-88.9-36.2-175.1179.8171.9-179.5168.30112E150 W323 R373 E1106 F1107E150-K375 PolarHBondContact O-N 3.42Å; W323-K375 HydrophobicContact CD2-CD 4.09Å; W323-K375 HydrophobicContact CD2-CG 4.07Å; W323-K375 HydrophobicContact CE3-CB 4.23Å; W323-K375 HydrophobicContact CE3-CD 3.97Å; W323-K375 HydrophobicContact CE3-CG 4.11Å; W323-K375 HydrophobicContact CG-CD 4.47Å; W323-K375 HydrophobicContact CH2-CB 3.66Å; W323-K375 HydrophobicContact CH2-CG 4.12Å; W323-K375 HydrophobicContact CZ2-CB 4.09Å; W323-K375 HydrophobicContact CZ2-CG 4.11Å; W323-K375 HydrophobicContact CZ3-CB 3.76Å; W323-K375 HydrophobicContact CZ3-CD 4.36Å; W323-K375 HydrophobicContact CZ3-CG 4.14Å; R373-K375 PolarHBondContact O-N 3.21Å; K375-E1106 IonicContact NZ-OE1 3.35Å; K375-E1106 PolarHBondContact NZ-OE1 3.29Å; K375-E1106 IonicContact NZ-OE2 3.68Å; K375-E1106 PolarHBondContact NZ-OE2 3.29Å; K375-F1107 HydrophobicContact CD-CZ 4.36Å; K375-F1107 HydrophobicContact CG-CE1 3.9Å; K375-F1107 HydrophobicContact CG-CZ 3.99Å
376Y90Very high84.5Confident5 Ų545.1 Ų45.12%0.0222%0.223CC..SBendtrans-109.1131.7-176.1-56.6-75.8000110.4E149 E150 I378 E1106 F1107 Y1111 L1114E149-Y376 WeakPolarHBondContact O-CD2 3.22Å; E150-Y376 PolarHBondContact O-N 2.93Å; Y376-I378 PolarHBondContact O-N 3.38Å; Y376-E1106 PolarHBondContact OH-O 3.19Å; Y376-F1107 HydrophobicContact CE1-CD1 4.42Å; Y376-Y1111 HydrophobicContact CD1-CD1 4.05Å; Y376-Y1111 AromaticContact CD1-CE1 3.9Å; Y376-Y1111 HydrophobicContact CD1-CE1 3.9Å; Y376-Y1111 HydrophobicContact CD1-CE2 4.5Å; Y376-Y1111 HydrophobicContact CD1-CG 4.37Å; Y376-Y1111 HydrophobicContact CG-CE1 4.49Å; Y376-L1114 HydrophobicContact CD1-CD1 4.06Å; Y376-L1114 HydrophobicContact CD2-CD1 3.71Å; Y376-L1114 HydrophobicContact CG-CD1 3.42Å; Y376-L1114 VanDerWaalsContact CG-CD1 3.42Å
377G85.3Confident85.4Confident15 Ų1540 Ų4016%0.15519%0.192CC..SBendtrans-80.441.8178.100000114.2
378I86.6Confident85.9Confident25 Ų2541.8 Ų41.813%0.12820%0.201CC..  trans-132.2121.3176-55.1174.6000107.1Y376 Y380 Y1111 L1114 N1115Y376-I378 PolarHBondContact O-N 3.38Å; I378-Y380 HydrophobicContact CG2-CE1 4.38Å; I378-Y380 HydrophobicContact CG2-CE2 3.86Å; I378-Y1111 HydrophobicContact CD1-CD1 3.87Å; I378-Y1111 HydrophobicContact CD1-CE1 4.41Å; I378-Y1111 HydrophobicContact CG1-CD1 4.38Å; I378-Y1111 HydrophobicContact CG1-CE1 4.43Å; I378-L1114 HydrophobicContact CB-CD1 4.47Å; I378-L1114 HydrophobicContact CD1-CB 4.09Å; I378-N1115 WeakPolarHBondContact CD1-OD1 3.49Å
379Y88.1Confident86.1Confident34 Ų3442 Ų4213%0.13320%0.201CC..  trans-120.2121.6-176.9-45.4-68.7000111.1E150 Y374 L394 W961 E962 H967E150-Y379 WeakPolarHBondContact OE1-CA 3.35Å; Y374-Y379 HydrophobicContact CD1-CD1 4.33Å; Y374-Y379 AromaticContact CD1-CE1 4Å; Y374-Y379 HydrophobicContact CD1-CE1 4Å; Y374-Y379 HydrophobicContact CG-CE1 4.29Å; Y379-L394 HydrophobicContact CD1-CD1 4.12Å; Y379-L394 HydrophobicContact CD1-CD2 4Å; Y379-L394 HydrophobicContact CD2-CD2 4.26Å; Y379-L394 HydrophobicContact CE1-CD1 3.58Å; Y379-L394 HydrophobicContact CE1-CD2 4.26Å; Y379-L394 HydrophobicContact CE2-CD1 4.4Å; Y379-L394 HydrophobicContact CE2-CD2 4.49Å; Y379-L394 HydrophobicContact CG-CD2 3.99Å; Y379-W961 AromaticContact CE2-CZ3 3.98Å; Y379-W961 HydrophobicContact CE2-CZ3 3.98Å; Y379-W961 AromaticContact CZ-CZ3 3.78Å; Y379-W961 WeakPolarHBondContact OH-CH2 3.45Å; Y379-W961 WeakPolarHBondContact OH-CZ3 3.44Å; Y379-E962 HydrophobicContact CD2-CG 4.24Å; Y379-E962 WeakPolarHBondContact CD2-OE1 3.5Å; Y379-E962 HydrophobicContact CE2-CG 4.05Å; Y379-H967 AromaticContact CE2-NE2 3.78Å
380Y82.6Confident86.3Confident28 Ų2840 Ų4011%0.1119%0.189CC..  trans-94.3138.9-178.9-70-70.6000113E150 I378 L382 R390 L1114 P1119E150-Y380 PolarHBondContact OE1-N 3.45Å; I378-Y380 HydrophobicContact CG2-CE1 4.38Å; I378-Y380 HydrophobicContact CG2-CE2 3.86Å; Y380-L382 PolarHBondContact O-N 3.26Å; Y380-R390 VanDerWaalsContact O-CZ 3.32Å; Y380-R390 PolarHBondContact O-NH1 2.95Å; Y380-R390 PolarHBondContact O-NH2 3.44Å; Y380-L1114 HydrophobicContact CE2-CB 4.13Å; Y380-L1114 HydrophobicContact CE2-CD2 3.97Å; Y380-L1114 PolarHBondContact OH-O 3.06Å; Y380-P1119 HydrophobicContact CD1-CB 4.07Å; Y380-P1119 HydrophobicContact CE1-CB 4.26Å
381D81.9Confident86.4Confident71 Ų7139.7 Ų39.738%0.3819%0.187SC..  trans42.660.5169.5-177.446.3000114.4R146 N383R146-D381 IonicContact CZ-OD2 2.89Å; R146-D381 IonicContact NH1-OD2 2.97Å; R146-D381 PolarHBondContact NH1-OD2 2.97Å; R146-D381 PolarHBondContact NH2-O 3.43Å; R146-D381 IonicContact NH2-OD2 3.61Å; R146-D381 PolarHBondContact NH2-OD2 3.15Å; D381-N383 PolarHBondContact O-N 3.43Å
382L84.7Confident86.4Confident43 Ų4338.9 Ų38.923%0.22518%0.183CC..  trans-69.493.9174.6-68.3177.3000110.4Y380 I391 L394 L955 I958Y380-L382 PolarHBondContact O-N 3.26Å; L382-I391 HydrophobicContact CD2-CG1 4.45Å; L382-L394 HydrophobicContact CD1-CD2 4.2Å; L382-L394 HydrophobicContact CD2-CD2 4.23Å; L382-L955 HydrophobicContact CB-CD2 4.26Å; L382-L955 HydrophobicContact CD1-CD2 4.35Å; L382-I958 HydrophobicContact CD1-CG2 4.43Å
383N82.2Confident86.3Confident48 Ų4839 Ų3926%0.25718%0.184SC..  trans-105.9118.3-174.6-167.6-29000112.5D381 K385 Y386 D387D381-N383 PolarHBondContact O-N 3.43Å; N383-K385 PolarHBondContact O-N 3.35Å; N383-K385 PolarHBondContact OD1-N 3.27Å; N383-Y386 HydrophobicContact CB-CD2 4.34Å; N383-Y386 PolarHBondContact O-N 2.62Å; N383-D387 WeakPolarHBondContact O-CB 3.47Å; N383-D387 PolarHBondContact O-N 3.47Å
384I83.3Confident86.3Confident72 Ų7237.3 Ų37.337%0.36918%0.177SC..THydrogen-bonded Turntrans-53.3-32.1-179.4-60.3169.8000112.8L388 I951 L955I384-L388 WeakPolarHBondContact O-CD1 3.35Å; I384-I951 HydrophobicContact CG2-CD1 3.94Å; I384-I951 HydrophobicContact CG2-CG1 4.19Å; I384-I951 HydrophobicContact CG2-CG2 3.74Å; I384-L955 HydrophobicContact CD1-CD1 3.78Å; I384-L955 HydrophobicContact CG1-CD1 3.56Å
385K76.2Confident86.3Confident166 Ų16637.1 Ų37.172%0.72218%0.177SC*.THydrogen-bonded Turntrans-74.5-28.7-175.2-66.4-176.1179.1-179.70114.3N383N383-K385 PolarHBondContact O-N 3.35Å; N383-K385 PolarHBondContact OD1-N 3.27Å
386Y79.3Confident86.2Confident150 Ų15037 Ų3759%0.58818%0.176SC*.THydrogen-bonded Turntrans-118.7-27.5-171.7-54.9-64000112.5N383N383-Y386 HydrophobicContact CB-CD2 4.34Å; N383-Y386 PolarHBondContact O-N 2.62Å
387D83.1Confident86.3Confident0 Ų037.9 Ų37.90%018%0.181CC..  trans-104.835.3-169.4-74-16.5000113.5R146 N383 I389 R390 I391R146-D387 WeakPolarHBondContact CB-OD1 3.4Å; R146-D387 WeakPolarHBondContact CD-OD1 3.37Å; R146-D387 VanDerWaalsContact CG-OD1 3.24Å; R146-D387 WeakPolarHBondContact CG-OD1 3.15Å; R146-D387 IonicContact CZ-OD1 2.82Å; R146-D387 IonicContact CZ-OD2 3.21Å; R146-D387 VanDerWaalsContact NE-CG 3.29Å; R146-D387 IonicContact NE-OD1 3.17Å; R146-D387 PolarHBondContact NE-OD1 3.25Å; R146-D387 IonicContact NE-OD2 3.94Å; R146-D387 PolarHBondContact NE-OD2 3.39Å; R146-D387 VanDerWaalsContact NH2-CG 3.35Å; R146-D387 IonicContact NH2-OD1 3.89Å; R146-D387 IonicContact NH2-OD2 2.74Å; R146-D387 PolarHBondContact NH2-OD2 3.19Å; N383-D387 WeakPolarHBondContact O-CB 3.47Å; N383-D387 PolarHBondContact O-N 3.47Å; D387-I389 VanDerWaalsContact C-N 3.31Å; D387-I389 PolarHBondContact O-N 2.89Å; D387-R390 HydrophobicContact CB-CB 3.97Å; D387-R390 PolarHBondContact O-N 3.26Å; D387-R390 IonicContact OD2-CZ 2.67Å; D387-R390 IonicContact OD2-NH1 3.62Å; D387-R390 PolarHBondContact OD2-NH1 3.49Å; D387-I391 HydrophobicContact CB-CD1 4.11Å; D387-I391 HydrophobicContact CB-CG1 4.12Å; D387-I391 VanDerWaalsContact O-CB 3.28Å; D387-I391 WeakPolarHBondContact O-CB 3.48Å; D387-I391 WeakPolarHBondContact O-CD1 3.49Å; D387-I391 WeakPolarHBondContact O-CG1 3.46Å; D387-I391 PolarHBondContact O-N 3.12Å
388L84.6Confident86.6Confident78 Ų7837.2 Ų37.241%0.40817%0.173SC..Hα-helixtrans-56.7-46.7178.7-72.894.8000111.7I384 N392 I951I384-L388 WeakPolarHBondContact O-CD1 3.35Å; L388-N392 WeakPolarHBondContact O-CB 3.15Å; L388-N392 PolarHBondContact O-N 3.26Å; L388-N392 VanDerWaalsContact O-N 3.08Å; L388-I951 HydrophobicContact CB-CD1 4.46Å; L388-I951 HydrophobicContact CD2-CD1 4.2Å; L388-I951 HydrophobicContact CG-CD1 3.86Å
389I86.1Confident86.8Confident28 Ų2836.6 Ų36.614%0.14417%0.17CC..Hα-helixtrans-70-45.3179.6-62.9163.5000111L143 N144 I145 L290 D387 I391 N392 Q393L143-I389 WeakPolarHBondContact O-CD1 3.48Å; N144-I389 HydrophobicContact CB-CD1 4.08Å; I145-I389 HydrophobicContact CG1-CG2 4.07Å; L290-I389 HydrophobicContact CB-CD1 4.31Å; L290-I389 HydrophobicContact CB-CG1 4.07Å; L290-I389 HydrophobicContact CB-CG2 3.97Å; D387-I389 VanDerWaalsContact C-N 3.31Å; D387-I389 PolarHBondContact O-N 2.89Å; I389-I391 PolarHBondContact O-N 2.88Å; I389-N392 PolarHBondContact O-N 2.8Å; I389-Q393 HydrophobicContact CG2-CG 4.2Å; I389-Q393 WeakPolarHBondContact O-CG 3.04Å; I389-Q393 PolarHBondContact O-N 2.82Å
390R89.9Confident86.7Confident0 Ų035.5 Ų35.50%017%0.165CC..Hα-helixtrans-60.9-45.2179176.8-178.6-179.6-143.81.8111.7I145 R146 H147 E150 Y374 Y380 D387 N392 Q393 L394I145-R390 HydrophobicContact CG2-CB 4.08Å; I145-R390 HydrophobicContact CG2-CG 4.04Å; R146-R390 WeakPolarHBondContact O-CD 3.48Å; R146-R390 PolarHBondContact O-NE 3.41Å; H147-R390 PolarHBondContact CD2-NH1 2.94Å; E150-R390 IonicContact OE1-NH2 3.2Å; E150-R390 PolarHBondContact OE1-NH2 3.12Å; E150-R390 IonicContact OE2-CZ 2.84Å; E150-R390 IonicContact OE2-NE 2.7Å; E150-R390 IonicContact OE2-NH2 2.68Å; E150-R390 PolarHBondContact OE2-NH2 3.42Å; Y374-R390 PolarHBondContact OH-O 3.03Å; Y374-R390 VanDerWaalsContact OH-O 3.13Å; Y380-R390 VanDerWaalsContact O-CZ 3.32Å; Y380-R390 PolarHBondContact O-NH1 2.95Å; Y380-R390 PolarHBondContact O-NH2 3.44Å; D387-R390 HydrophobicContact CB-CB 3.97Å; D387-R390 PolarHBondContact O-N 3.26Å; D387-R390 IonicContact OD2-CZ 2.67Å; D387-R390 IonicContact OD2-NH1 3.62Å; D387-R390 PolarHBondContact OD2-NH1 3.49Å; R390-N392 VanDerWaalsContact C-N 3.33Å; R390-Q393 PolarHBondContact O-N 2.77Å; R390-L394 VanDerWaalsContact O-CB 3.27Å; R390-L394 WeakPolarHBondContact O-CB 3.49Å; R390-L394 PolarHBondContact O-N 3.14Å
391I90.5Very high87Confident0 Ų034.7 Ų34.70%016%0.164CC..Hα-helixtrans-63.3-41.9176.2-67.9164.4000110.2L382 D387 I389 L394 Y395 I951 K954 L955 I958L382-I391 HydrophobicContact CD2-CG1 4.45Å; D387-I391 HydrophobicContact CB-CD1 4.11Å; D387-I391 HydrophobicContact CB-CG1 4.12Å; D387-I391 VanDerWaalsContact O-CB 3.28Å; D387-I391 WeakPolarHBondContact O-CB 3.48Å; D387-I391 WeakPolarHBondContact O-CD1 3.49Å; D387-I391 WeakPolarHBondContact O-CG1 3.46Å; D387-I391 PolarHBondContact O-N 3.12Å; I389-I391 PolarHBondContact O-N 2.88Å; I391-L394 PolarHBondContact O-N 2.83Å; I391-Y395 VanDerWaalsContact O-CB 3.28Å; I391-Y395 WeakPolarHBondContact O-CB 3.3Å; I391-Y395 PolarHBondContact O-N 2.82Å; I391-I951 HydrophobicContact CD1-CD1 4.47Å; I391-I951 HydrophobicContact CD1-CG1 4.43Å; I391-I951 HydrophobicContact CG2-CG1 4.4Å; I391-K954 HydrophobicContact CG2-CB 4.07Å; I391-L955 HydrophobicContact CD1-CD2 3.93Å; I391-L955 HydrophobicContact CD1-CG 4.36Å; I391-L955 HydrophobicContact CG1-CD2 4.04Å; I391-L955 HydrophobicContact CG2-CD2 4.06Å; I391-L955 HydrophobicContact CG2-CG 4.23Å; I391-I958 HydrophobicContact CG2-CD1 4.11Å
392N90.5Very high87.3Confident0 Ų031.4 Ų31.40%015%0.146CC..Hα-helixtrans-63.3-47.8178.7-170.254.2000112.3L290 A291 S293 L388 I389 R390 L394 Y395 E396 K954L290-N392 PolarHBondContact O-ND2 3.39Å; A291-N392 VanDerWaalsContact O-CG 3.28Å; A291-N392 PolarHBondContact O-ND2 3.15Å; S293-N392 PolarHBondContact N-ND2 2.89Å; S293-N392 PolarHBondContact OG-ND2 3.21Å; L388-N392 WeakPolarHBondContact O-CB 3.15Å; L388-N392 PolarHBondContact O-N 3.26Å; L388-N392 VanDerWaalsContact O-N 3.08Å; I389-N392 PolarHBondContact O-N 2.8Å; R390-N392 VanDerWaalsContact C-N 3.33Å; N392-L394 VanDerWaalsContact C-N 3.35Å; N392-L394 PolarHBondContact O-N 3.05Å; N392-Y395 WeakPolarHBondContact O-CB 3.34Å; N392-Y395 PolarHBondContact O-N 3.06Å; N392-E396 WeakPolarHBondContact O-CG 3.47Å; N392-E396 PolarHBondContact O-N 2.94Å; N392-K954 PolarHBondContact OD1-NZ 2.82Å
393Q90.9Very high87.4Confident2 Ų229.5 Ų29.51%0.00914%0.136CC..Hα-helixtrans-67.1-35.5179.6-66-62.9-31.400112.2P116 D117 I145 Y374 I389 R390 E396 Q397P116-Q393 HydrophobicContact CB-CB 4.25Å; P116-Q393 VanDerWaalsContact CB-O 3.23Å; P116-Q393 WeakPolarHBondContact CB-O 3.31Å; P116-Q393 HydrophobicContact CG-CB 4.19Å; D117-Q393 PolarHBondContact OD2-NE2 2.89Å; I145-Q393 HydrophobicContact CD1-CG 4.46Å; Y374-Q393 HydrophobicContact CE2-CB 4.47Å; I389-Q393 HydrophobicContact CG2-CG 4.2Å; I389-Q393 WeakPolarHBondContact O-CG 3.04Å; I389-Q393 PolarHBondContact O-N 2.82Å; R390-Q393 PolarHBondContact O-N 2.77Å; Q393-E396 PolarHBondContact O-N 2.95Å; Q393-Q397 PolarHBondContact O-N 3.08Å
394L92.2Very high87.4Confident0 Ų027.3 Ų27.30%013%0.125CC..Hα-helixtrans-66.7-43.7173.8-17458.8000111.9Y374 Y379 L382 R390 I391 N392 E396 Q397 A398 I958 W961Y374-L394 HydrophobicContact CD1-CD1 4.03Å; Y374-L394 HydrophobicContact CD2-CD1 3.68Å; Y374-L394 HydrophobicContact CE1-CD1 4.17Å; Y374-L394 HydrophobicContact CE2-CB 3.95Å; Y374-L394 HydrophobicContact CE2-CD1 3.86Å; Y374-L394 HydrophobicContact CG-CD1 3.8Å; Y379-L394 HydrophobicContact CD1-CD1 4.12Å; Y379-L394 HydrophobicContact CD1-CD2 4Å; Y379-L394 HydrophobicContact CD2-CD2 4.26Å; Y379-L394 HydrophobicContact CE1-CD1 3.58Å; Y379-L394 HydrophobicContact CE1-CD2 4.26Å; Y379-L394 HydrophobicContact CE2-CD1 4.4Å; Y379-L394 HydrophobicContact CE2-CD2 4.49Å; Y379-L394 HydrophobicContact CG-CD2 3.99Å; L382-L394 HydrophobicContact CD1-CD2 4.2Å; L382-L394 HydrophobicContact CD2-CD2 4.23Å; R390-L394 VanDerWaalsContact O-CB 3.27Å; R390-L394 WeakPolarHBondContact O-CB 3.49Å; R390-L394 PolarHBondContact O-N 3.14Å; I391-L394 PolarHBondContact O-N 2.83Å; N392-L394 VanDerWaalsContact C-N 3.35Å; N392-L394 PolarHBondContact O-N 3.05Å; L394-E396 VanDerWaalsContact C-N 3.35Å; L394-E396 PolarHBondContact O-N 2.96Å; L394-Q397 PolarHBondContact O-N 3.09Å; L394-A398 WeakPolarHBondContact O-CB 3.45Å; L394-A398 PolarHBondContact O-N 3.22Å; L394-I958 HydrophobicContact CB-CD1 4.15Å; L394-I958 HydrophobicContact CD2-CD1 4.02Å; L394-I958 HydrophobicContact CD2-CG1 4.45Å; L394-I958 HydrophobicContact CD2-CG2 3.88Å; L394-I958 HydrophobicContact CG-CD1 4.01Å; L394-I958 HydrophobicContact CG-CG1 4.23Å; L394-I958 HydrophobicContact CG-CG2 4.3Å; L394-W961 HydrophobicContact CD1-CH2 4.41Å; L394-W961 HydrophobicContact CD1-CZ3 3.84Å; L394-W961 HydrophobicContact CG-CZ3 4.5Å
395Y92.8Very high87.4Confident4 Ų424.9 Ų24.92%0.01611%0.112CC..Hα-helixtrans-58.3-45.6173.3163.3-104.3000111.6I391 N392 A398 K399 V424 K954 Y957I391-Y395 VanDerWaalsContact O-CB 3.28Å; I391-Y395 WeakPolarHBondContact O-CB 3.3Å; I391-Y395 PolarHBondContact O-N 2.82Å; N392-Y395 WeakPolarHBondContact O-CB 3.34Å; N392-Y395 PolarHBondContact O-N 3.06Å; Y395-A398 PolarHBondContact O-N 2.85Å; Y395-K399 WeakPolarHBondContact O-CB 3.48Å; Y395-K399 PolarHBondContact O-N 3.15Å; Y395-V424 HydrophobicContact CE1-CG1 4.19Å; Y395-V424 HydrophobicContact CE2-CG2 4.5Å; Y395-K954 HydrophobicContact CD1-CD 4.14Å; Y395-K954 HydrophobicContact CD1-CG 4Å; Y395-K954 HydrophobicContact CD2-CB 4.27Å; Y395-K954 HydrophobicContact CD2-CG 4.12Å; Y395-K954 HydrophobicContact CE1-CG 4.42Å; Y395-K954 HydrophobicContact CG-CB 4.15Å; Y395-K954 HydrophobicContact CG-CD 4.3Å; Y395-K954 HydrophobicContact CG-CG 3.84Å; Y395-Y957 AromaticContact CD2-CD1 3.81Å; Y395-Y957 HydrophobicContact CD2-CD1 3.81Å; Y395-Y957 HydrophobicContact CD2-CD2 4.32Å; Y395-Y957 HydrophobicContact CD2-CE1 4.44Å; Y395-Y957 AromaticContact CD2-CG 3.77Å; Y395-Y957 HydrophobicContact CD2-CG 3.77Å; Y395-Y957 AromaticContact CE2-CD1 4Å; Y395-Y957 HydrophobicContact CE2-CD1 4Å; Y395-Y957 AromaticContact CE2-CD2 3.73Å; Y395-Y957 HydrophobicContact CE2-CD2 3.73Å; Y395-Y957 HydrophobicContact CE2-CE1 4.41Å; Y395-Y957 HydrophobicContact CE2-CE2 4.14Å; Y395-Y957 AromaticContact CE2-CG 3.66Å; Y395-Y957 HydrophobicContact CE2-CG 3.66Å
396E90Very high87.9Confident7 Ų720.3 Ų20.33%0.0339%0.094CC..Hα-helixtrans-62.7-42.8176.7-76.1-67.8158.400112.1D117 S293 N392 Q393 L394 A398 K399 W400D117-E396 HydrophobicContact CB-CB 4.1Å; D117-E396 HydrophobicContact CB-CG 3.88Å; S293-E396 WeakPolarHBondContact CB-OE1 3.27Å; S293-E396 PolarHBondContact OG-OE1 2.99Å; N392-E396 WeakPolarHBondContact O-CG 3.47Å; N392-E396 PolarHBondContact O-N 2.94Å; Q393-E396 PolarHBondContact O-N 2.95Å; L394-E396 VanDerWaalsContact C-N 3.35Å; L394-E396 PolarHBondContact O-N 2.96Å; E396-A398 VanDerWaalsContact C-N 3.35Å; E396-A398 PolarHBondContact O-N 3.39Å; E396-K399 WeakPolarHBondContact O-CB 3.4Å; E396-K399 PolarHBondContact O-N 3.5Å; E396-K399 IonicContact OE1-NZ 3.87Å; E396-K399 PolarHBondContact OE1-NZ 2.86Å; E396-K399 WeakPolarHBondContact OE2-CE 3.37Å; E396-K399 IonicContact OE2-NZ 3.01Å; E396-K399 PolarHBondContact OE2-NZ 3.02Å; E396-W400 PolarHBondContact O-N 3.23Å; E396-W400 PolarHBondContact OE2-NE1 3Å; E396-W400 VanDerWaalsContact OE2-NE1 3.12Å
397Q90.9Very high88.1Confident25 Ų2514.4 Ų14.412%0.1177%0.073CC..Hα-helixtrans-60-45.2173.9-173.3160.9-48.700112P116 R373 Y374 Q393 L394 W400 S401P116-Q397 HydrophobicContact CB-CB 4.11Å; R373-Q397 VanDerWaalsContact CA-OE1 3.28Å; Y374-Q397 HydrophobicContact CD2-CB 4.34Å; Y374-Q397 PolarHBondContact O-NE2 3.43Å; Q393-Q397 PolarHBondContact O-N 3.08Å; L394-Q397 PolarHBondContact O-N 3.09Å; Q397-W400 PolarHBondContact O-N 3.35Å; Q397-S401 VanDerWaalsContact O-CB 3.26Å; Q397-S401 WeakPolarHBondContact O-CB 3.45Å; Q397-S401 PolarHBondContact O-N 3.14Å
398A91.5Very high88.1Confident0 Ų020.1 Ų20.10%010%0.1CC..Hα-helixtrans-62.6-43.5178.300000111.3L394 Y395 E396 S401 I402 Y957 W961L394-A398 WeakPolarHBondContact O-CB 3.45Å; L394-A398 PolarHBondContact O-N 3.22Å; Y395-A398 PolarHBondContact O-N 2.85Å; E396-A398 VanDerWaalsContact C-N 3.35Å; E396-A398 PolarHBondContact O-N 3.39Å; A398-S401 PolarHBondContact O-N 2.85Å; A398-I402 WeakPolarHBondContact O-CD1 3.41Å; A398-I402 WeakPolarHBondContact O-CG1 3.4Å; A398-I402 PolarHBondContact O-N 2.9Å; A398-I402 VanDerWaalsContact O-N 3.1Å; A398-Y957 HydrophobicContact CB-CD1 4.08Å; A398-Y957 HydrophobicContact CB-CE1 3.79Å; A398-W961 HydrophobicContact CB-CB 4.26Å; A398-W961 HydrophobicContact CB-CD2 3.48Å; A398-W961 VanDerWaalsContact CB-CD2 3.48Å; A398-W961 HydrophobicContact CB-CE3 3.58Å; A398-W961 HydrophobicContact CB-CG 3.79Å; A398-W961 HydrophobicContact CB-CH2 4.44Å; A398-W961 HydrophobicContact CB-CZ2 4.38Å; A398-W961 HydrophobicContact CB-CZ3 4.05Å
399K90.6Very high88.2Confident12 Ų1217.3 Ų17.35%0.0529%0.086CC..Hα-helixtrans-55.8-54.4174.9-171.4-175.478.5-171.60111.2Y395 E396 S401 I402 I403 Y957Y395-K399 WeakPolarHBondContact O-CB 3.48Å; Y395-K399 PolarHBondContact O-N 3.15Å; E396-K399 WeakPolarHBondContact O-CB 3.4Å; E396-K399 PolarHBondContact O-N 3.5Å; E396-K399 IonicContact OE1-NZ 3.87Å; E396-K399 PolarHBondContact OE1-NZ 2.86Å; E396-K399 WeakPolarHBondContact OE2-CE 3.37Å; E396-K399 IonicContact OE2-NZ 3.01Å; E396-K399 PolarHBondContact OE2-NZ 3.02Å; K399-S401 PolarHBondContact O-N 3.29Å; K399-I402 PolarHBondContact O-N 2.93Å; K399-I403 HydrophobicContact CD-CD1 4.42Å; K399-I403 HydrophobicContact CG-CD1 3.75Å; K399-I403 VanDerWaalsContact O-CG1 3.3Å; K399-I403 WeakPolarHBondContact O-CG1 3.22Å; K399-I403 PolarHBondContact O-N 2.89Å; K399-Y957 WeakPolarHBondContact CA-OH 3.36Å
400W87.4Confident88.4Confident11 Ų1119.6 Ų19.64%0.04210%0.101CC..Hα-helixtrans-67.4-33.1-179.2-67.9116.7000113.3L118 M296 V298 A301 I307 E396 Q397 I403 S404L118-W400 HydrophobicContact CD1-CD2 3.74Å; L118-W400 HydrophobicContact CD1-CE3 4.13Å; L118-W400 HydrophobicContact CD1-CG 4.37Å; L118-W400 HydrophobicContact CD1-CH2 3.79Å; L118-W400 HydrophobicContact CD1-CZ2 3.38Å; L118-W400 HydrophobicContact CD1-CZ3 4.16Å; L118-W400 HydrophobicContact CD2-CG 4.45Å; L118-W400 HydrophobicContact CG-CD2 4.2Å; L118-W400 HydrophobicContact CG-CG 4.36Å; L118-W400 HydrophobicContact CG-CZ2 4.14Å; M296-W400 HydrophobicContact CB-CH2 4.33Å; M296-W400 HydrophobicContact CB-CZ2 4.04Å; M296-W400 HydrophobicContact CG-CH2 4.46Å; M296-W400 HydrophobicContact CG-CZ2 4.42Å; V298-W400 HydrophobicContact CG2-CZ3 4.18Å; A301-W400 HydrophobicContact CB-CH2 4.31Å; A301-W400 HydrophobicContact CB-CZ3 4.46Å; I307-W400 HydrophobicContact CD1-CD2 4.24Å; I307-W400 HydrophobicContact CD1-CE3 3.28Å; I307-W400 HydrophobicContact CD1-CH2 4.1Å; I307-W400 HydrophobicContact CD1-CZ3 3.19Å; I307-W400 HydrophobicContact CG1-CE3 4.15Å; I307-W400 HydrophobicContact CG1-CZ3 4.42Å; E396-W400 PolarHBondContact O-N 3.23Å; E396-W400 PolarHBondContact OE2-NE1 3Å; E396-W400 VanDerWaalsContact OE2-NE1 3.12Å; Q397-W400 PolarHBondContact O-N 3.35Å; W400-I403 HydrophobicContact CE3-CB 4.49Å; W400-I403 HydrophobicContact CE3-CD1 4.17Å; W400-I403 HydrophobicContact CE3-CG2 4.49Å; W400-I403 HydrophobicContact CZ3-CD1 4.22Å; W400-S404 WeakPolarHBondContact O-CB 3.18Å; W400-S404 PolarHBondContact O-N 3.48Å; W400-S404 PolarHBondContact O-OG 3Å
401S87.9Confident88.2Confident11 Ų1123.3 Ų23.38%0.07712%0.121CC..Hα-helixtrans-61.7-40.9174.4164.20000112.6Q397 A398 K399 S404 E405 I406 N407Q397-S401 VanDerWaalsContact O-CB 3.26Å; Q397-S401 WeakPolarHBondContact O-CB 3.45Å; Q397-S401 PolarHBondContact O-N 3.14Å; A398-S401 PolarHBondContact O-N 2.85Å; K399-S401 PolarHBondContact O-N 3.29Å; S401-S404 PolarHBondContact O-OG 2.93Å; S401-E405 PolarHBondContact O-N 3Å; S401-I406 PolarHBondContact O-N 3.09Å; S401-I406 VanDerWaalsContact O-N 3.15Å; S401-N407 PolarHBondContact O-N 2.67Å; S401-N407 VanDerWaalsContact OG-CG 3.24Å; S401-N407 PolarHBondContact OG-OD1 2.84Å
402I89Confident88.1Confident3 Ų330.1 Ų30.12%0.01515%0.153CC..Hα-helixtrans-75.2-46178.7-67.6162000110.9A398 K399 S404 E405 V409 F417 P878 Y957A398-I402 WeakPolarHBondContact O-CD1 3.41Å; A398-I402 WeakPolarHBondContact O-CG1 3.4Å; A398-I402 PolarHBondContact O-N 2.9Å; A398-I402 VanDerWaalsContact O-N 3.1Å; K399-I402 PolarHBondContact O-N 2.93Å; I402-S404 VanDerWaalsContact C-N 3.33Å; I402-S404 PolarHBondContact O-N 2.93Å; I402-E405 PolarHBondContact O-N 2.7Å; I402-V409 HydrophobicContact CG1-CG2 4.11Å; I402-V409 HydrophobicContact CG2-CG2 4.06Å; I402-F417 HydrophobicContact CD1-CD1 3.69Å; I402-F417 HydrophobicContact CD1-CD2 3.81Å; I402-F417 HydrophobicContact CD1-CE1 3.5Å; I402-F417 VanDerWaalsContact CD1-CE1 3.5Å; I402-F417 HydrophobicContact CD1-CE2 3.64Å; I402-F417 HydrophobicContact CD1-CG 3.84Å; I402-F417 HydrophobicContact CD1-CZ 3.47Å; I402-F417 VanDerWaalsContact CD1-CZ 3.47Å; I402-F417 HydrophobicContact CG1-CE2 4.41Å; I402-F417 HydrophobicContact CG2-CD2 4.22Å; I402-P878 HydrophobicContact CG2-CG 4.31Å; I402-Y957 HydrophobicContact CD1-CE1 3.76Å; I402-Y957 VanDerWaalsContact CD1-OH 3.26Å; I402-Y957 WeakPolarHBondContact CD1-OH 3.46Å
403I86.1Confident88.1Confident2 Ų232.7 Ų32.71%0.0117%0.165CC..Hα-helixtrans-59.6-45.8178.6-67.7170.1000110.4V298 K399 W400 E405 H875 L879V298-I403 HydrophobicContact CG1-CG2 4.23Å; V298-I403 HydrophobicContact CG2-CG2 4.13Å; K399-I403 HydrophobicContact CD-CD1 4.42Å; K399-I403 HydrophobicContact CG-CD1 3.75Å; K399-I403 VanDerWaalsContact O-CG1 3.3Å; K399-I403 WeakPolarHBondContact O-CG1 3.22Å; K399-I403 PolarHBondContact O-N 2.89Å; W400-I403 HydrophobicContact CE3-CB 4.49Å; W400-I403 HydrophobicContact CE3-CD1 4.17Å; W400-I403 HydrophobicContact CE3-CG2 4.49Å; W400-I403 HydrophobicContact CZ3-CD1 4.22Å; I403-E405 VanDerWaalsContact C-N 3.28Å; I403-E405 PolarHBondContact O-N 2.85Å; I403-H875 WeakPolarHBondContact CD1-O 3.34Å; I403-L879 HydrophobicContact CG2-CG 4.42Å; I403-L879 VanDerWaalsContact O-CG 3.28Å; I403-L879 WeakPolarHBondContact O-CG 3.32Å; I403-L879 PolarHBondContact O-N 2.85Å
404S82.9Confident88Confident2 Ų232.6 Ų32.61%0.01417%0.165CC..THydrogen-bonded Turntrans-75.7-6.8-178.662.60000115.3I307 P310 W400 S401 I402 I406I307-S404 VanDerWaalsContact CG2-CB 3.49Å; P310-S404 WeakPolarHBondContact CD-O 3.4Å; W400-S404 WeakPolarHBondContact O-CB 3.18Å; W400-S404 PolarHBondContact O-N 3.48Å; W400-S404 PolarHBondContact O-OG 3Å; S401-S404 PolarHBondContact O-OG 2.93Å; I402-S404 VanDerWaalsContact C-N 3.33Å; I402-S404 PolarHBondContact O-N 2.93Å; S404-I406 PolarHBondContact O-N 2.94Å; S404-I406 VanDerWaalsContact OG-CD1 3.3Å; S404-I406 WeakPolarHBondContact OG-CD1 3.28Å; S404-I406 VanDerWaalsContact OG-CG1 3.3Å; S404-I406 WeakPolarHBondContact OG-CG1 3.48Å
405E84Confident87.8Confident22 Ų2232.8 Ų32.810%0.10317%0.166CC..THydrogen-bonded Turntrans61.529.1-177.8-51.5-176152.700114.2R309 R316 S401 I402 I403 N407 P878 R880R309-E405 IonicContact CZ-OE2 3.25Å; R309-E405 VanDerWaalsContact CZ-OE2 3.24Å; R309-E405 IonicContact NE-OE2 3.62Å; R309-E405 PolarHBondContact NE-OE2 3.47Å; R309-E405 IonicContact NH2-OE1 3.98Å; R309-E405 IonicContact NH2-OE2 2.7Å; R309-E405 PolarHBondContact NH2-OE2 3.33Å; R316-E405 PolarHBondContact NE-O 2.93Å; R316-E405 PolarHBondContact NH2-O 3.25Å; S401-E405 PolarHBondContact O-N 3Å; I402-E405 PolarHBondContact O-N 2.7Å; I403-E405 VanDerWaalsContact C-N 3.28Å; I403-E405 PolarHBondContact O-N 2.85Å; E405-N407 VanDerWaalsContact C-N 3.28Å; E405-P878 HydrophobicContact CG-CB 3.99Å; E405-P878 WeakPolarHBondContact OE1-CB 3.32Å; E405-R880 WeakPolarHBondContact OE1-CA 3.39Å; E405-R880 WeakPolarHBondContact OE1-CB 3.12Å; E405-R880 PolarHBondContact OE1-N 3.42Å
406I85Confident87.7Confident69 Ų6934.8 Ų34.835%0.35418%0.177SC..SBendtrans-63.4-43.8165.1-65.5168.8000108.6P310 R316 L319 S401 S404P310-I406 HydrophobicContact CG-CG1 4.32Å; R316-I406 VanDerWaalsContact CD-O 3.3Å; R316-I406 WeakPolarHBondContact CD-O 3.39Å; R316-I406 PolarHBondContact NE-O 2.89Å; L319-I406 HydrophobicContact CD1-CD1 4.29Å; L319-I406 HydrophobicContact CD1-CG1 3.91Å; L319-I406 HydrophobicContact CD1-CG2 4.44Å; S401-I406 PolarHBondContact O-N 3.09Å; S401-I406 VanDerWaalsContact O-N 3.15Å; S404-I406 PolarHBondContact O-N 2.94Å; S404-I406 VanDerWaalsContact OG-CD1 3.3Å; S404-I406 WeakPolarHBondContact OG-CD1 3.28Å; S404-I406 VanDerWaalsContact OG-CG1 3.3Å; S404-I406 WeakPolarHBondContact OG-CG1 3.48Å
407N84.6Confident87.7Confident26 Ų2634.5 Ų34.514%0.13918%0.175CC..SBendtrans-99.8128.3170.4-69.546.5000108.8S401 E405 L964S401-N407 PolarHBondContact O-N 2.67Å; S401-N407 VanDerWaalsContact OG-CG 3.24Å; S401-N407 PolarHBondContact OG-OD1 2.84Å; E405-N407 VanDerWaalsContact C-N 3.28Å; N407-L964 HydrophobicContact CB-CD1 4.24Å
408E83.2Confident87.6Confident120 Ų12033.3 Ų33.356%0.56117%0.17SC*.  trans-77.1129.9174.1-69.6-179.216900110.1R316R316-E408 VanDerWaalsContact CZ-CG 3.46Å; R316-E408 IonicContact CZ-OE1 2.95Å; R316-E408 VanDerWaalsContact NH1-CG 3.31Å; R316-E408 IonicContact NH1-OE1 3.44Å; R316-E408 PolarHBondContact NH1-OE1 3.27Å; R316-E408 IonicContact NH1-OE2 3.35Å; R316-E408 VanDerWaalsContact NH2-CD 3.35Å; R316-E408 IonicContact NH2-OE1 3.4Å; R316-E408 PolarHBondContact NH2-OE1 2.74Å
409V86.2Confident87.4Confident19 Ų1933.3 Ų33.312%0.11517%0.17CC..  trans-128.1140.7-177.8-178.60000108.5I402 E413 A414 F417 L964I402-V409 HydrophobicContact CG1-CG2 4.11Å; I402-V409 HydrophobicContact CG2-CG2 4.06Å; V409-E413 HydrophobicContact CG1-CB 3.29Å; V409-E413 HydrophobicContact CG1-CG 4.43Å; V409-A414 HydrophobicContact CG1-CB 4.29Å; V409-F417 HydrophobicContact CG1-CD2 3.89Å; V409-F417 HydrophobicContact CG1-CE2 3.74Å; V409-F417 HydrophobicContact CG2-CE2 4.17Å; V409-L964 HydrophobicContact CG2-CD1 4.04Å; V409-L964 HydrophobicContact CG2-CD2 4.31Å
410T89.8Confident87.4Confident76 Ų7632.7 Ų32.747%0.46617%0.167SC..  trans-69.5161.1174.764.90000111.1E412 E413 A414T410-E412 PolarHBondContact O-N 3.38Å; T410-E413 WeakPolarHBondContact CB-OE2 3.47Å; T410-E413 WeakPolarHBondContact CG2-OE2 2.97Å; T410-E413 PolarHBondContact N-OE2 3.49Å; T410-E413 PolarHBondContact O-N 2.66Å; T410-E413 WeakPolarHBondContact OG1-CB 3.04Å; T410-E413 WeakPolarHBondContact OG1-CG 2.87Å; T410-E413 PolarHBondContact OG1-N 2.84Å; T410-E413 PolarHBondContact OG1-OE2 3.28Å; T410-A414 WeakPolarHBondContact O-CB 3.37Å; T410-A414 PolarHBondContact O-N 2.92Å
411N86.5Confident87.4Confident79 Ų7932.4 Ų32.442%0.42217%0.166SC..Hα-helixtrans-63.2-32.1-179.7-65.8-11.3000112.3C415 R880N411-C415 PolarHBondContact O-N 2.85Å; N411-C415 PolarHBondContact O-SG 3.08Å; N411-R880 PolarHBondContact OD1-NH2 2.65Å
412E88.5Confident87.1Confident142 Ų14231.9 Ų31.966%0.66416%0.163SC*.Hα-helixtrans-72.1-47.7178.2-175177.1-178.100111.6T410 A414 C415 L416T410-E412 PolarHBondContact O-N 3.38Å; E412-A414 VanDerWaalsContact C-N 3.27Å; E412-A414 PolarHBondContact O-N 3.47Å; E412-C415 WeakPolarHBondContact O-CB 3.41Å; E412-C415 PolarHBondContact O-N 3.26Å; E412-C415 VanDerWaalsContact O-N 3.09Å; E412-L416 PolarHBondContact O-N 3.21Å; E412-L416 VanDerWaalsContact O-N 3.09Å
413E90.2Very high87Confident54 Ų5432.3 Ų32.325%0.25216%0.164SC..Hα-helixtrans-60.2-38173.6-70.6163.7155.100111.2V409 T410 C415 L416 F417V409-E413 HydrophobicContact CG1-CB 3.29Å; V409-E413 HydrophobicContact CG1-CG 4.43Å; T410-E413 WeakPolarHBondContact CB-OE2 3.47Å; T410-E413 WeakPolarHBondContact CG2-OE2 2.97Å; T410-E413 PolarHBondContact N-OE2 3.49Å; T410-E413 PolarHBondContact O-N 2.66Å; T410-E413 WeakPolarHBondContact OG1-CB 3.04Å; T410-E413 WeakPolarHBondContact OG1-CG 2.87Å; T410-E413 PolarHBondContact OG1-N 2.84Å; T410-E413 PolarHBondContact OG1-OE2 3.28Å; E413-C415 VanDerWaalsContact C-N 3.31Å; E413-C415 PolarHBondContact O-N 3.35Å; E413-L416 WeakPolarHBondContact O-CB 3.3Å; E413-L416 PolarHBondContact O-N 3.33Å; E413-L416 VanDerWaalsContact O-N 3.12Å; E413-F417 HydrophobicContact CB-CE2 4.28Å; E413-F417 WeakPolarHBondContact O-CD2 3.14Å; E413-F417 PolarHBondContact O-N 3.48Å
414A88.3Confident86.9Confident1 Ų132.5 Ų32.51%0.00817%0.166CC..Hα-helixtrans-61.6-37.3174.900000112.4V409 T410 E412 A418 L877 P878V409-A414 HydrophobicContact CG1-CB 4.29Å; T410-A414 WeakPolarHBondContact O-CB 3.37Å; T410-A414 PolarHBondContact O-N 2.92Å; E412-A414 VanDerWaalsContact C-N 3.27Å; E412-A414 PolarHBondContact O-N 3.47Å; A414-A418 WeakPolarHBondContact O-CB 3.34Å; A414-A418 PolarHBondContact O-N 2.91Å; A414-L877 HydrophobicContact CB-CD2 4.44Å; A414-P878 HydrophobicContact CB-CG 3.87Å
415C88Confident86.9Confident4 Ų433.1 Ų33.13%0.02717%0.168CC..Hα-helixtrans-65-40.6172.9-62.50000111.6N411 E412 E413 A418 A419 F934 I938 I941N411-C415 PolarHBondContact O-N 2.85Å; N411-C415 PolarHBondContact O-SG 3.08Å; E412-C415 WeakPolarHBondContact O-CB 3.41Å; E412-C415 PolarHBondContact O-N 3.26Å; E412-C415 VanDerWaalsContact O-N 3.09Å; E413-C415 VanDerWaalsContact C-N 3.31Å; E413-C415 PolarHBondContact O-N 3.35Å; C415-A418 PolarHBondContact O-N 3.48Å; C415-A419 WeakPolarHBondContact O-CB 3.48Å; C415-A419 PolarHBondContact O-N 3.5Å; C415-F934 WeakPolarHBondContact SG-CD1 3.44Å; C415-I938 HydrophobicContact CB-CG1 4.14Å; C415-I941 HydrophobicContact CB-CD1 3.86Å
416L90.5Very high86.7Confident46 Ų4632.8 Ų32.824%0.24117%0.167CC..Hα-helixtrans-63-45.6177.2176.263.7000111.6E412 E413 A418 A419 L420 I941 I945 V960E412-L416 PolarHBondContact O-N 3.21Å; E412-L416 VanDerWaalsContact O-N 3.09Å; E413-L416 WeakPolarHBondContact O-CB 3.3Å; E413-L416 PolarHBondContact O-N 3.33Å; E413-L416 VanDerWaalsContact O-N 3.12Å; L416-A418 PolarHBondContact O-N 3.06Å; L416-A419 PolarHBondContact O-N 3.04Å; L416-L420 HydrophobicContact CD1-CD1 4.39Å; L416-L420 HydrophobicContact CG-CD1 4.31Å; L416-L420 PolarHBondContact O-N 2.75Å; L416-I941 HydrophobicContact CD1-CG2 3.64Å; L416-I945 HydrophobicContact CD1-CD1 4.14Å; L416-V960 HydrophobicContact CD2-CG1 3.98Å; L416-V960 HydrophobicContact CD2-CG2 4.16Å
417F91.5Very high86.4Confident0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-61.4-42.7175.2-72.6-59.6000111.9I402 V409 E413 A419 L420 Q421 Y957 V960 W961 L964I402-F417 HydrophobicContact CD1-CD1 3.69Å; I402-F417 HydrophobicContact CD1-CD2 3.81Å; I402-F417 HydrophobicContact CD1-CE1 3.5Å; I402-F417 VanDerWaalsContact CD1-CE1 3.5Å; I402-F417 HydrophobicContact CD1-CE2 3.64Å; I402-F417 HydrophobicContact CD1-CG 3.84Å; I402-F417 HydrophobicContact CD1-CZ 3.47Å; I402-F417 VanDerWaalsContact CD1-CZ 3.47Å; I402-F417 HydrophobicContact CG1-CE2 4.41Å; I402-F417 HydrophobicContact CG2-CD2 4.22Å; V409-F417 HydrophobicContact CG1-CD2 3.89Å; V409-F417 HydrophobicContact CG1-CE2 3.74Å; V409-F417 HydrophobicContact CG2-CE2 4.17Å; E413-F417 HydrophobicContact CB-CE2 4.28Å; E413-F417 WeakPolarHBondContact O-CD2 3.14Å; E413-F417 PolarHBondContact O-N 3.48Å; F417-A419 PolarHBondContact O-N 3.39Å; F417-L420 PolarHBondContact O-N 2.84Å; F417-Q421 WeakPolarHBondContact O-CB 3.26Å; F417-Q421 PolarHBondContact O-N 3.36Å; F417-Y957 HydrophobicContact CB-CE2 3.78Å; F417-Y957 HydrophobicContact CD1-CD1 4.17Å; F417-Y957 AromaticContact CD1-CD2 3.78Å; F417-Y957 HydrophobicContact CD1-CD2 3.78Å; F417-Y957 AromaticContact CD1-CE1 3.83Å; F417-Y957 HydrophobicContact CD1-CE1 3.83Å; F417-Y957 AromaticContact CD1-CE2 3.44Å; F417-Y957 HydrophobicContact CD1-CE2 3.44Å; F417-Y957 VanDerWaalsContact CD1-CE2 3.44Å; F417-Y957 HydrophobicContact CD1-CG 4.12Å; F417-Y957 AromaticContact CD1-CZ 3.43Å; F417-Y957 VanDerWaalsContact CD1-CZ 3.43Å; F417-Y957 HydrophobicContact CE1-CD1 4.27Å; F417-Y957 HydrophobicContact CE1-CE1 4.08Å; F417-Y957 HydrophobicContact CE1-CE2 4.42Å; F417-Y957 HydrophobicContact CE1-CG 4.49Å; F417-Y957 HydrophobicContact CG-CE2 4.03Å; F417-V960 HydrophobicContact CE1-CB 3.93Å; F417-V960 HydrophobicContact CE1-CG1 3.72Å; F417-V960 HydrophobicContact CE2-CG1 4.27Å; F417-V960 HydrophobicContact CZ-CB 4.17Å; F417-V960 HydrophobicContact CZ-CG1 3.54Å; F417-W961 HydrophobicContact CE1-CB 4.29Å; F417-W961 HydrophobicContact CZ-CB 4.39Å; F417-L964 HydrophobicContact CZ-CD1 4.47Å
418A87.6Confident86Confident0 Ų030 Ų300%016%0.156CC..Hα-helixtrans-63.7-37.8176.300000112.9A414 C415 L416 S422 M876 L877 I938A414-A418 WeakPolarHBondContact O-CB 3.34Å; A414-A418 PolarHBondContact O-N 2.91Å; C415-A418 PolarHBondContact O-N 3.48Å; L416-A418 PolarHBondContact O-N 3.06Å; A418-S422 WeakPolarHBondContact O-CB 3.47Å; A418-S422 PolarHBondContact O-N 3.23Å; A418-S422 PolarHBondContact O-OG 3.44Å; A418-M876 HydrophobicContact CB-CB 3.93Å; A418-L877 HydrophobicContact CB-CD2 4.23Å; A418-I938 HydrophobicContact CB-CD1 3.8Å; A418-I938 HydrophobicContact CB-CG1 4.17Å
419A88.5Confident85.5Confident0 Ų027.5 Ų27.50%014%0.144CC..Hα-helixtrans-65.7-43.317500000112.2C415 L416 F417 S422 Q423 I938 I941 I945C415-A419 WeakPolarHBondContact O-CB 3.48Å; C415-A419 PolarHBondContact O-N 3.5Å; L416-A419 PolarHBondContact O-N 3.04Å; F417-A419 PolarHBondContact O-N 3.39Å; A419-S422 PolarHBondContact O-N 3.05Å; A419-Q423 PolarHBondContact O-N 3.39Å; A419-Q423 VanDerWaalsContact O-N 3.14Å; A419-I938 HydrophobicContact CB-CG2 4.02Å; A419-I941 HydrophobicContact CB-CB 4.03Å; A419-I941 HydrophobicContact CB-CG2 3.65Å; A419-I945 HydrophobicContact CB-CD1 4.44Å
420L89Confident84.8Confident0 Ų030.6 Ų30.60%016%0.157CC..Hα-helixtrans-65.3-43.4176.1-75.2167.6000112L416 F417 S422 Q423 V424 I945 K956 Y957L416-L420 HydrophobicContact CD1-CD1 4.39Å; L416-L420 HydrophobicContact CG-CD1 4.31Å; L416-L420 PolarHBondContact O-N 2.75Å; F417-L420 PolarHBondContact O-N 2.84Å; L420-S422 VanDerWaalsContact C-N 3.33Å; L420-S422 PolarHBondContact O-N 3.26Å; L420-Q423 PolarHBondContact O-N 2.9Å; L420-V424 WeakPolarHBondContact O-CG2 3.48Å; L420-V424 PolarHBondContact O-N 2.91Å; L420-I945 HydrophobicContact CD2-CD1 3.88Å; L420-I945 HydrophobicContact CD2-CG2 3.87Å; L420-I945 HydrophobicContact CG-CD1 4.08Å; L420-K956 HydrophobicContact CD1-CG 4.45Å; L420-K956 HydrophobicContact CD2-CB 4.19Å; L420-K956 HydrophobicContact CD2-CD 4.06Å; L420-K956 HydrophobicContact CD2-CG 4.14Å; L420-Y957 HydrophobicContact CB-CD2 3.84Å; L420-Y957 HydrophobicContact CD1-CD2 4.34Å
421Q87.9Confident83.5Confident5 Ų531.2 Ų31.22%0.02316%0.155CC..Hα-helixtrans-61.3-42175.9179.2175.7-12.100111.6F417 Q423 V424 E425 M876F417-Q421 WeakPolarHBondContact O-CB 3.26Å; F417-Q421 PolarHBondContact O-N 3.36Å; Q421-Q423 VanDerWaalsContact C-N 3.31Å; Q421-Q423 PolarHBondContact O-N 2.86Å; Q421-V424 PolarHBondContact O-N 3.18Å; Q421-E425 WeakPolarHBondContact CG-OE1 3.37Å; Q421-E425 PolarHBondContact NE2-OE1 2.83Å; Q421-E425 PolarHBondContact O-N 2.94Å; Q421-M876 HydrophobicContact CG-CE 4.27Å; Q421-M876 HydrophobicContact CG-CG 4.26Å
422S82.8Confident82.4Confident0 Ų031.4 Ų31.40%016%0.159CC..Hα-helixtrans-59.8-40.5175.4-61.50000112.4A418 A419 L420 E425 L426 L869 M876A418-S422 WeakPolarHBondContact O-CB 3.47Å; A418-S422 PolarHBondContact O-N 3.23Å; A418-S422 PolarHBondContact O-OG 3.44Å; A419-S422 PolarHBondContact O-N 3.05Å; L420-S422 VanDerWaalsContact C-N 3.33Å; L420-S422 PolarHBondContact O-N 3.26Å; S422-E425 PolarHBondContact O-N 3.33Å; S422-L426 WeakPolarHBondContact O-CB 3.48Å; S422-L426 VanDerWaalsContact O-CG 3.29Å; S422-L426 WeakPolarHBondContact O-CG 3.16Å; S422-L426 PolarHBondContact O-N 2.96Å; S422-L869 WeakPolarHBondContact OG-CD2 3.48Å; S422-M876 WeakPolarHBondContact OG-CE 3.34Å; S422-M876 PolarHBondContact OG-SD 2.91Å
423Q85Confident80.8Confident11 Ų1129.5 Ų29.55%0.05115%0.153CC..Hα-helixtrans-65.2-40.8176.4-179.963.56.100112.2A419 L420 Q421 A427 Y942 I945 N946 L948 S953A419-Q423 PolarHBondContact O-N 3.39Å; A419-Q423 VanDerWaalsContact O-N 3.14Å; L420-Q423 PolarHBondContact O-N 2.9Å; Q421-Q423 VanDerWaalsContact C-N 3.31Å; Q421-Q423 PolarHBondContact O-N 2.86Å; Q423-A427 VanDerWaalsContact O-CB 3.22Å; Q423-A427 WeakPolarHBondContact O-CB 3.39Å; Q423-A427 PolarHBondContact O-N 2.81Å; Q423-Y942 HydrophobicContact CB-CD2 4.35Å; Q423-Y942 HydrophobicContact CB-CE2 3.82Å; Q423-Y942 HydrophobicContact CG-CE2 4.48Å; Q423-Y942 PolarHBondContact OE1-OH 3.09Å; Q423-I945 HydrophobicContact CB-CG2 4.36Å; Q423-I945 HydrophobicContact CG-CG2 4.26Å; Q423-N946 PolarHBondContact NE2-O 3.46Å; Q423-L948 PolarHBondContact NE2-O 3.44Å; Q423-S953 VanDerWaalsContact CG-OG 3.32Å; Q423-S953 WeakPolarHBondContact CG-OG 3.39Å
424V84Confident79Confident7 Ų732 Ų324%0.04217%0.166CC..Hα-helixtrans-62.5-49.3177.1174.10000110.3Y395 L420 Q421 A427 T428 K954Y395-V424 HydrophobicContact CE1-CG1 4.19Å; Y395-V424 HydrophobicContact CE2-CG2 4.5Å; L420-V424 WeakPolarHBondContact O-CG2 3.48Å; L420-V424 PolarHBondContact O-N 2.91Å; Q421-V424 PolarHBondContact O-N 3.18Å; V424-A427 PolarHBondContact O-N 2.91Å; V424-T428 HydrophobicContact CG1-CG2 4.48Å; V424-T428 WeakPolarHBondContact O-CG2 3.36Å; V424-T428 PolarHBondContact O-N 3.5Å; V424-T428 PolarHBondContact O-OG1 2.78Å; V424-T428 VanDerWaalsContact O-OG1 3.09Å; V424-K954 HydrophobicContact CG1-CD 4.42Å; V424-K954 VanDerWaalsContact CG1-CE 3.48Å; V424-K954 HydrophobicContact CG1-CG 4.05Å; V424-K954 HydrophobicContact CG2-CG 3.84Å
425E83Confident76.9Confident14 Ų1437.6 Ų37.67%0.06520%0.195CC..Hα-helixtrans-61.4-46.6-179.4-71.7179.5-153.400111.7Q421 S422 A427 T428 E429 H868 R872Q421-E425 WeakPolarHBondContact CG-OE1 3.37Å; Q421-E425 PolarHBondContact NE2-OE1 2.83Å; Q421-E425 PolarHBondContact O-N 2.94Å; S422-E425 PolarHBondContact O-N 3.33Å; E425-A427 PolarHBondContact O-N 3.33Å; E425-T428 WeakPolarHBondContact CA-OG1 3.28Å; E425-T428 PolarHBondContact O-N 3.49Å; E425-T428 PolarHBondContact O-OG1 2.94Å; E425-E429 WeakPolarHBondContact O-CG 3.43Å; E425-E429 PolarHBondContact O-N 2.88Å; E425-H868 IonicContact OE2-CE1 3.89Å; E425-H868 PolarHBondContact OE2-CE1 3.31Å; E425-H868 IonicContact OE2-NE2 3.47Å; E425-H868 PolarHBondContact OE2-NE2 2.95Å; E425-R872 VanDerWaalsContact OE2-CD 3.26Å; E425-R872 WeakPolarHBondContact OE2-CD 3.31Å; E425-R872 IonicContact OE2-CZ 2.87Å; E425-R872 IonicContact OE2-NE 3.94Å; E425-R872 IonicContact OE2-NH1 3.18Å; E425-R872 PolarHBondContact OE2-NH1 3.08Å
426L81Confident74.8Confident15 Ų1541.5 Ų41.58%0.07922%0.216CC..Hα-helixtrans-62.9-43.3177.4-71.1171.8000112.5S422 T428 E429 E430 L865 H868 Y942S422-L426 WeakPolarHBondContact O-CB 3.48Å; S422-L426 VanDerWaalsContact O-CG 3.29Å; S422-L426 WeakPolarHBondContact O-CG 3.16Å; S422-L426 PolarHBondContact O-N 2.96Å; L426-T428 VanDerWaalsContact C-N 3.33Å; L426-T428 PolarHBondContact O-N 2.97Å; L426-E429 PolarHBondContact O-N 2.95Å; L426-E430 WeakPolarHBondContact O-CG 3.49Å; L426-E430 PolarHBondContact O-N 3.47Å; L426-L865 HydrophobicContact CD1-CB 4.21Å; L426-H868 HydrophobicContact CD2-CB 4.45Å; L426-Y942 HydrophobicContact CD1-CE2 4.19Å; L426-Y942 WeakPolarHBondContact CD1-OH 3.36Å
427A78.8Confident72.7Confident11 Ų1145.3 Ų45.39%0.09123%0.233CC..Hα-helixtrans-65-37.2177.700000112Q423 V424 E425 E430 E431Q423-A427 VanDerWaalsContact O-CB 3.22Å; Q423-A427 WeakPolarHBondContact O-CB 3.39Å; Q423-A427 PolarHBondContact O-N 2.81Å; V424-A427 PolarHBondContact O-N 2.91Å; E425-A427 PolarHBondContact O-N 3.33Å; A427-E430 PolarHBondContact O-N 3.3Å; A427-E431 WeakPolarHBondContact O-CG 3.19Å; A427-E431 PolarHBondContact O-N 3.31Å
428T75.8Confident70.2Confident27 Ų2750 Ų5017%0.16626%0.258CS..Hα-helixtrans-68.4-35.9175.152.10000112.8F292 V424 E425 L426 T432F292-T428 HydrophobicContact CD1-CG2 3.96Å; F292-T428 HydrophobicContact CE1-CG2 4.43Å; V424-T428 HydrophobicContact CG1-CG2 4.48Å; V424-T428 WeakPolarHBondContact O-CG2 3.36Å; V424-T428 PolarHBondContact O-N 3.5Å; V424-T428 PolarHBondContact O-OG1 2.78Å; V424-T428 VanDerWaalsContact O-OG1 3.09Å; E425-T428 WeakPolarHBondContact CA-OG1 3.28Å; E425-T428 PolarHBondContact O-N 3.49Å; E425-T428 PolarHBondContact O-OG1 2.94Å; L426-T428 VanDerWaalsContact C-N 3.33Å; L426-T428 PolarHBondContact O-N 2.97Å; T428-T432 WeakPolarHBondContact O-CG2 3.36Å; T428-T432 PolarHBondContact O-N 3.15Å
429E73.1Confident68Low67 Ų6756.7 Ų56.731%0.31329%0.293SS..Hα-helixtrans-66.3-41176-72.9177.2-174.500111.1E425 L426 E431 T432 L433 R872E425-E429 WeakPolarHBondContact O-CG 3.43Å; E425-E429 PolarHBondContact O-N 2.88Å; L426-E429 PolarHBondContact O-N 2.95Å; E429-E431 PolarHBondContact O-N 2.87Å; E429-T432 PolarHBondContact O-N 3.07Å; E429-T432 PolarHBondContact O-OG1 3.12Å; E429-L433 WeakPolarHBondContact O-CG 3.18Å; E429-L433 PolarHBondContact O-N 3.03Å; E429-L433 VanDerWaalsContact O-N 3.15Å; E429-R872 IonicContact OE1-CZ 2.81Å; E429-R872 IonicContact OE1-NH1 3.28Å; E429-R872 PolarHBondContact OE1-NH1 3.35Å; E429-R872 VanDerWaalsContact OE1-NH1 3.14Å; E429-R872 IonicContact OE1-NH2 3.82Å
430E70.2Confident65.7Low83 Ų8362.7 Ų62.739%0.38832%0.324SS..Hα-helixtrans-62.4-41.6176.3-72.3-178.6170.400113.2L426 A427 T432 L433 M434 R864L426-E430 WeakPolarHBondContact O-CG 3.49Å; L426-E430 PolarHBondContact O-N 3.47Å; A427-E430 PolarHBondContact O-N 3.3Å; E430-T432 VanDerWaalsContact C-N 3.29Å; E430-T432 PolarHBondContact O-N 3.5Å; E430-L433 PolarHBondContact O-N 2.74Å; E430-M434 WeakPolarHBondContact O-CG 3.44Å; E430-M434 PolarHBondContact O-N 3.02Å; E430-R864 IonicContact OE1-NH1 3.37Å; E430-R864 PolarHBondContact OE1-NH1 3.08Å
431E64.4Low63.3Low89 Ų8968.1 Ų68.142%0.41635%0.353SS..Hα-helixtrans-63.4-35.2176.3-73.8174.7-17400112F292 A427 E429F292-E431 WeakPolarHBondContact CE1-OE2 3.28Å; F292-E431 WeakPolarHBondContact CZ-OE2 3.33Å; A427-E431 WeakPolarHBondContact O-CG 3.19Å; A427-E431 PolarHBondContact O-N 3.31Å; E429-E431 PolarHBondContact O-N 2.87Å
432T61.6Low61Low84 Ų8475.1 Ų75.152%0.51539%0.391SS..Hα-helixtrans-71.8-39177.457.70000113.4T428 E429 E430 M434 N435T428-T432 WeakPolarHBondContact O-CG2 3.36Å; T428-T432 PolarHBondContact O-N 3.15Å; E429-T432 PolarHBondContact O-N 3.07Å; E429-T432 PolarHBondContact O-OG1 3.12Å; E430-T432 VanDerWaalsContact C-N 3.29Å; E430-T432 PolarHBondContact O-N 3.5Å; T432-M434 VanDerWaalsContact C-N 3.31Å; T432-M434 PolarHBondContact O-N 2.85Å; T432-N435 PolarHBondContact O-N 3.05Å
433L56Low58.9Low101 Ų10181.9 Ų81.953%0.52943%0.427SS..Hα-helixtrans-66.7-31.9-178.4-68.7168.5000112.8E429 E430 N435 D436 E437E429-L433 WeakPolarHBondContact O-CG 3.18Å; E429-L433 PolarHBondContact O-N 3.03Å; E429-L433 VanDerWaalsContact O-N 3.15Å; E430-L433 PolarHBondContact O-N 2.74Å; L433-N435 PolarHBondContact O-N 3.5Å; L433-D436 PolarHBondContact O-N 3.29Å; L433-E437 PolarHBondContact O-N 2.93Å
434M51.7Low56.5Low107 Ų10787.5 Ų87.553%0.52746%0.457SS..Hα-helixtrans-64.9-24.9177-72.6-73.3-71.500113.4E430 T432 N438E430-M434 WeakPolarHBondContact O-CG 3.44Å; E430-M434 PolarHBondContact O-N 3.02Å; T432-M434 VanDerWaalsContact C-N 3.31Å; T432-M434 PolarHBondContact O-N 2.85Å; M434-N438 PolarHBondContact O-ND2 3.33Å
435N44Very low54.1Low118 Ų11894.8 Ų94.863%0.63150%0.496SS*.Hα-helixtrans-80.5-32.7178.5-70-26.9000112.2T432 L433T432-N435 PolarHBondContact O-N 3.05Å; L433-N435 PolarHBondContact O-N 3.5Å
436D44.9Very low51.9Low87 Ų87103.2 Ų103.247%0.46554%0.535SS..Hα-helixtrans-85.8-32.2-176.7-76.3-17.6000113.7L433 N438 L439L433-D436 PolarHBondContact O-N 3.29Å; D436-N438 PolarHBondContact O-N 3.18Å; D436-L439 PolarHBondContact O-N 3.5Å; D436-L439 VanDerWaalsContact O-N 3.11Å
437E45.1Very low49.8Very low125 Ų125112 Ų11258%0.58458%0.576SS**Hα-helixtrans-67.6-18.9-179.4-72.9-160.3164.900114L433 L439L433-E437 PolarHBondContact O-N 2.93Å; E437-L439 VanDerWaalsContact C-N 3.27Å; E437-L439 PolarHBondContact O-N 3.38Å
438N39.6Very low47.5Very low99 Ų99120 Ų12053%0.52961%0.612SS.*Hα-helixtrans-74.6-13.9174.6-68.2-52.5000113.3M434 D436M434-N438 PolarHBondContact O-ND2 3.33Å; D436-N438 PolarHBondContact O-N 3.18Å
439L40.9Very low45.3Very low141 Ų141126.8 Ų126.874%0.73864%0.641SS**Hα-helixtrans-98-11.6-179.9-86.8153.7000114D436 E437D436-L439 PolarHBondContact O-N 3.5Å; D436-L439 VanDerWaalsContact O-N 3.11Å; E437-L439 VanDerWaalsContact C-N 3.27Å; E437-L439 PolarHBondContact O-N 3.38Å
440L40.3Very low43.4Very low126 Ų126133.9 Ų133.966%0.6667%0.671SS**Hα-helixtrans-111.2-5.1-175.3-72.5170.2000114.8
441N38.8Very low41.5Very low113 Ų113133.4 Ų133.460%0.60469%0.688SS**THydrogen-bonded Turntrans-90.9-1.1-176.9-90.5-23.4000115.8
442D39.7Very low40.1Very low153 Ų153136.4 Ų136.482%0.81871%0.706SS**THydrogen-bonded Turntrans-85.5-1.7-178.9-92.8-12000115.3
443N38Very low38.4Very low141 Ų141139.9 Ų139.975%0.75472%0.721SS**SBendtrans-115.83.1-170.6-72-31000117.1
444N35.7Very low37.3Very low129 Ų129139.1 Ų139.169%0.6974%0.737SS**  trans-120.426.1-164.5-70.9-30.5000116.8
445N34.4Very low36.2Very low160 Ų160139.9 Ų139.986%0.85675%0.748SS**SBendtrans-10816.1-178.3-74.7-27.1000116.1
446E36.7Very low35.4Very low191 Ų191140.1 Ų140.189%0.89375%0.748SS**SBendtrans-1194.6-175.2-69.1-166163.300117.6
447E36.6Very low34.6Very low199 Ų199146.6 Ų146.693%0.9377%0.768SS**  trans-125.676.8177.3-69.5-171.4168.700113.1
448E29.7Very low33.8Very low179 Ų179146.2 Ų146.284%0.83677%0.774SS**  trans-94.9141.9156-108.5-172.9178.400109.3
449Q30.3Very low33.2Very low170 Ų170148 Ų14879%0.79478%0.784SS**  trans90.796165.8-53.7168.31400117.9
450K32.8Very low32.7Very low217 Ų217149.4 Ų149.494%0.94379%0.792SS**  trans174.1129.4131.4-94.1158.9-174.1-178.10113.7
451G31Very low32.1Very low72 Ų72149.3 Ų149.374%0.74280%0.797SS**  trans84.8105.2160.300000116.1
452I34.6Very low31.8Very low153 Ų153152.5 Ų152.579%0.78581%0.808SS**  70.4101.153.8-50-179000115
453N25.8Very low31.4Very low157 Ų157152.6 Ų152.684%0.8480%0.804SS**  trans52.3122.8141.6-55.5-11000122.8
454G32.6Very low30.8Very low84 Ų84153 Ų15387%0.86681%0.805SS**  trans-160.7123.3157.300000111.1
455T28.5Very low30.5Very low123 Ų123153.6 Ų153.676%0.75581%0.813SS**  trans-113.4154.9-161.7-19.40000111.7
456I26.6Very low30.1Very low124 Ų124152.7 Ų152.764%0.63681%0.808SS**  trans81.6119.6151.5-52.8152.5000117.5
457Y29.4Very low29.7Very low222 Ų222149.8 Ų149.887%0.87181%0.808SS**  -176.3130.2103.3-87.2-70.9000110
458T28.8Very low29.3Very low118 Ų118146.2 Ų146.272%0.72480%0.802SS**  trans-108.5158.4-177.948.80000111.8
459N25.3Very low29.4Very low137 Ų137146 Ų14673%0.73381%0.805SS**  trans108.6108.7152.7-57.8-19.5000116.5
460D31.5Very low29.3Very low170 Ų170143.8 Ų143.891%0.90980%0.799SS**  -157120.2116.6-90.9-26.1000110.8
461T28Very low29.6Very low123 Ų123142.4 Ų142.476%0.75579%0.793SS**  trans-95.8138.7-179.8310000111.7
462Q32.1Very low29.9Very low180 Ų180142.9 Ų142.984%0.84179%0.785SS**  trans168.6128.2151.4-99.1169.361.200106.7
463Q31.2Very low30.1Very low156 Ų156141 Ų14173%0.72978%0.775SS**  cis-156.9141.318-82.5162.511.600108.9
464L26.3Very low30.6Very low150 Ų150139.3 Ų139.379%0.78577%0.765SS**  trans42.3123.8137.5-60.5156.4000118.3
465V28.6Very low30.8Very low141 Ų141140.7 Ų140.786%0.85575%0.753SS**  -158142.663.8168.50000111.3
466N25.5Very low31.1Very low141 Ų141141.7 Ų141.775%0.75475%0.749SS**  trans-67.4143.8-171.3-62.2-38.2000116.8
467C29.1Very low31.3Very low130 Ų130139.4 Ų139.488%0.87874%0.743SS**  trans-157.7126.2130.7-93.30000108.7
468P27.9Very low31.7Very low124 Ų124136 Ų13681%0.80573%0.733SS**  trans-92.5124.4-169.934.7-29000111.3
469L30.8Very low32.2Very low175 Ų175135.3 Ų135.392%0.91673%0.728SS**  trans-136131.4156.2-13681.4000108.1K471L469-K471 PolarHBondContact O-N 2.96Å
470D29.9Very low32.6Very low122 Ų122134 Ų13465%0.65272%0.721SS**  trans-46.9121.8-160.4-88.4-42000116.6S472D470-S472 PolarHBondContact O-N 2.76Å
471K37.2Very low32.8Very low189 Ų189130.1 Ų130.182%0.82270%0.704SS**Hα-helixtrans-68.8-5.8170-85.6178.8173.4177.60114L469L469-K471 PolarHBondContact O-N 2.96Å
472S37.8Very low33.1Very low82 Ų82133.8 Ų133.857%0.57371%0.709SS**Hα-helixtrans-83.4-20.8-179.4560000114.1D470D470-S472 PolarHBondContact O-N 2.76Å
473I38.2Very low33.2Very low113 Ų113134.4 Ų134.458%0.57971%0.709SS**Hα-helixtrans-85.6-27.9-178.1-60.3175.8000111.5D475I473-D475 PolarHBondContact O-N 3Å
474L37Very low33.1Very low121 Ų121133.6 Ų133.663%0.63470%0.703SS**Hα-helixtrans-75.2-25-175.3-16266.5000113.6
475D37.1Very low33.3Very low113 Ų113135.4 Ų135.460%0.60471%0.705SS**Hα-helixtrans-86.5-23.4179.4-75.8-19000113.2I473I473-D475 PolarHBondContact O-N 3Å
476H34.2Very low33.5Very low145 Ų145134 Ų13467%0.67170%0.701SS**Hα-helixtrans-78.7-20.2174.4-112.368.8000113.7T479H476-T479 PolarHBondContact O-OG1 3.07Å
477C32.2Very low33.6Very low76 Ų76131.9 Ų131.951%0.51469%0.693SS.*Hα-helixtrans-82.4-19.9179.7-74.30000113.9V481C477-V481 WeakPolarHBondContact O-CG2 3.19Å
478K37.9Very low33.5Very low151 Ų151132 Ų13266%0.65768%0.68SS**Hα-helixtrans-78.4-18.8-177.2-77.6178.6179170.60114.4
479T38Very low33.7Very low103 Ų103130.6 Ų130.663%0.63266%0.664SS**Hα-helixtrans-89.4-24.5-176.847.60000113.7H476H476-T479 PolarHBondContact O-OG1 3.07Å
480N33.5Very low33.5Very low109 Ų109128 Ų12858%0.58365%0.646SS**Hα-helixtrans-89.5-10.8-177.5-73.9-30.3000114.9K482N480-K482 PolarHBondContact O-N 2.79Å
481V37.5Very low33.5Very low89 Ų89130.5 Ų130.554%0.53965%0.653SS.*G310 helixtrans-75.9-19-175.4175.30000113.4C477 K483C477-V481 WeakPolarHBondContact O-CG2 3.19Å; V481-K483 VanDerWaalsContact C-N 3.29Å; V481-K483 PolarHBondContact O-N 2.87Å
482K34.3Very low33.1Very low199 Ų199129.2 Ų129.287%0.86566%0.655SS**G310 helixtrans-75-11.2178.4-77.8-173.8175.4-175.10114.6N480N480-K482 PolarHBondContact O-N 2.79Å
483K32.9Very low32.8Very low194 Ų194132.1 Ų132.184%0.84365%0.653SS**G310 helixtrans-105.1-5-178.8-96.9179.5175.5175.90115.7V481V481-K483 VanDerWaalsContact C-N 3.29Å; V481-K483 PolarHBondContact O-N 2.87Å
484F28.8Very low32.4Very low139 Ų139134.5 Ų134.561%0.6167%0.667SS**SBendtrans-110.83.1-173.6-92.8-82.9000115.3S486 T487F484-S486 VanDerWaalsContact C-N 3.3Å; F484-S486 PolarHBondContact O-N 3.3Å; F484-S486 VanDerWaalsContact O-N 3.17Å; F484-T487 PolarHBondContact O-OG1 3.12Å
485K30.8Very low32.1Very low188 Ų188131.9 Ų131.982%0.81765%0.653SS**THydrogen-bonded Turntrans-787.9-168.1-108.8-175.6176.6-1680116.8
486S32.2Very low31.8Very low110 Ų110129.5 Ų129.577%0.76965%0.645SS**THydrogen-bonded Turntrans-113.614.3-175.5700000115.8F484F484-S486 VanDerWaalsContact C-N 3.3Å; F484-S486 PolarHBondContact O-N 3.3Å; F484-S486 VanDerWaalsContact O-N 3.17Å
487T28.5Very low31.7Very low97 Ų97126.5 Ų126.560%0.59564%0.639SS**  trans-135.823.2-162.424.60000118.2F484F484-T487 PolarHBondContact O-OG1 3.12Å
488F27.2Very low31.6Very low134 Ų134124.1 Ų124.159%0.58862%0.621SS**  trans-133.796.4-180-77.5-87.1000114.1L853F488-L853 HydrophobicContact CE1-CB 4.4Å; F488-L853 HydrophobicContact CE1-CD2 3.89Å; F488-L853 HydrophobicContact CE2-CD2 4.09Å; F488-L853 HydrophobicContact CZ-CD2 3.44Å; F488-L853 VanDerWaalsContact CZ-CD2 3.44Å
489I30.9Very low31.3Very low93 Ų93119.7 Ų119.748%0.47762%0.618SS.*  trans-144.1101.2158.3-51.4-179000109.7
490K27.4Very low31Very low122 Ų122116.1 Ų116.153%0.5360%0.601SS.*  trans-142.5108.4162.9-94.2-175.7175.8-1800108.5L851K490-L851 PolarHBondContact NZ-O 3.24Å
491H31.1Very low30.7Very low173 Ų173120.8 Ų120.880%0.80161%0.612SS**SBend165.9129.8129.8-83.3-55.3000109
492N28.7Very low30.2Very low163 Ų163123.8 Ų123.887%0.87263%0.625SS**  trans53.476.5176.4-64.2-10.3000116.7
493R31.2Very low30Very low143 Ų143121.7 Ų121.754%0.5461%0.612SS.*  trans-103.5108.9159.4-73.2-176.7160.9175.8-9.2109.5I495R493-I495 VanDerWaalsContact C-N 3.29Å; R493-I495 HydrophobicContact CB-CD1 3.97Å; R493-I495 HydrophobicContact CB-CG1 3.42Å; R493-I495 VanDerWaalsContact CB-CG1 3.42Å; R493-I495 PolarHBondContact O-N 2.95Å; R493-I495 VanDerWaalsContact O-N 3.11Å
494D29.3Very low29.6Very low162 Ų162120.3 Ų120.387%0.86661%0.609SS**  trans-64.497.3148.2-79-38.4000106.6S496D494-S496 PolarHBondContact O-N 3.42Å
495I30.3Very low29.5Very low66 Ų66120.8 Ų120.834%0.33862%0.623SS.*  trans-9089.1-178-56.4173.7000107.9R493 L846R493-I495 VanDerWaalsContact C-N 3.29Å; R493-I495 HydrophobicContact CB-CD1 3.97Å; R493-I495 HydrophobicContact CB-CG1 3.42Å; R493-I495 VanDerWaalsContact CB-CG1 3.42Å; R493-I495 PolarHBondContact O-N 2.95Å; R493-I495 VanDerWaalsContact O-N 3.11Å; I495-L846 HydrophobicContact CD1-CD2 3.67Å
496S30.3Very low29.3Very low64 Ų64115.7 Ų115.745%0.44862%0.624SS.*  trans-120.494156.4-62.20000106.7D494D494-S496 PolarHBondContact O-N 3.42Å
497P32.1Very low29Very low81 Ų81121.2 Ų121.253%0.52663%0.628SS.*  -141.772107.835.9-19.7000110.3G499P497-G499 PolarHBondContact O-N 3.35Å
498L30.7Very low29Very low27 Ų27124.5 Ų124.514%0.14163%0.631CS.*THydrogen-bonded Turntrans-78.66.5167.5-135.374.5000113R784 L842 L846L498-R784 PolarHBondContact O-NH2 3.13Å; L498-L842 HydrophobicContact CD1-CD1 3.67Å; L498-L842 HydrophobicContact CD1-CD2 3.36Å; L498-L842 HydrophobicContact CD1-CG 4.17Å; L498-L842 HydrophobicContact CD2-CD1 4.44Å; L498-L842 HydrophobicContact CD2-CD2 4.33Å; L498-L842 HydrophobicContact CG-CD1 4.13Å; L498-L842 HydrophobicContact CG-CD2 4.35Å; L498-L846 HydrophobicContact CD1-CD1 4.36Å
499G31.1Very low29.1Very low57 Ų57123 Ų12359%0.58864%0.637SS**THydrogen-bonded Turntrans-111.5-2.3-177.600000116.6P497P497-G499 PolarHBondContact O-N 3.35Å
500G32.5Very low28.9Very low28 Ų28127.2 Ų127.229%0.28966%0.657SS.*  trans-103.9-12.1-169.900000116.9L502G500-L502 PolarHBondContact O-N 2.97Å; G500-L502 VanDerWaalsContact O-N 3.13Å
501Y27.3Very low28.8Very low207 Ų207130.5 Ų130.581%0.81267%0.671SS**THydrogen-bonded Turntrans-92.278.7-173.2-71.4-86.5000111
502L27.5Very low28.8Very low153 Ų153127.8 Ų127.880%0.80167%0.671SS**THydrogen-bonded Turntrans176.76.2148.3-94.1176.6000113.3G500G500-L502 PolarHBondContact O-N 2.97Å; G500-L502 VanDerWaalsContact O-N 3.13Å
503Y29.4Very low28.8Very low154 Ų154125.2 Ų125.260%0.60467%0.666SS**SBendtrans-111.654.2170.2-71.6-76.8000111.8L791Y503-L791 HydrophobicContact CE1-CD2 3.72Å; Y503-L791 WeakPolarHBondContact OH-CD2 3.13Å
504H25.2Very low28.8Very low166 Ų166123.3 Ų123.377%0.76968%0.675SS**  trans-145.476.4173.4-75-59.1000111.6
505T26.1Very low29Very low149 Ų149120.7 Ų120.791%0.91467%0.667SS**  trans-146.3108.2156.153.10000108.4
506G26.5Very low29Very low81 Ų81122.8 Ų122.884%0.83569%0.687SS**  trans169.577179.400000111.4
507R26.9Very low28.9Very low225 Ų225125.3 Ų125.385%0.84970%0.702SS**  trans-64.3141.4179.8-65.6173.1173.5177.8-3.2111.8
508Y27.3Very low28.9Very low167 Ų167127.2 Ų127.266%0.65572%0.717SS**  trans-159.781.2141.2-81.9-69.4000106.8T523Y508-T523 HydrophobicContact CD1-CG2 4.12Å; Y508-T523 HydrophobicContact CE1-CG2 3.51Å
509S28.8Very low28.9Very low102 Ų102135.8 Ų135.871%0.71375%0.747SS**  54.910186.4-163.80000113.7
510M26.7Very low29.2Very low182 Ų182138.5 Ų138.590%0.89776%0.755SS**  trans-59.7125167.4-68.6-79.7-174.500110.4S512M510-S512 PolarHBondContact O-N 3.23Å
511K26.8Very low29.5Very low191 Ų191141.2 Ų141.283%0.8376%0.762SS**  trans-86.5102.6163.7-81.5-176.2178.11770109.5
512S29.9Very low30.6Very low116 Ų116133.8 Ų133.881%0.81174%0.74SS**  trans-78.613715154.70000109.2M510M510-S512 PolarHBondContact O-N 3.23Å
513S28.4Very low31.8Very low109 Ų109129 Ų12976%0.76272%0.718SS**  trans-116.9104.2157.954.90000105.2
514S31.6Very low33.4Very low103 Ų103128.1 Ų128.172%0.7272%0.722SS**  121.615679.764.90000106.2
515P33.4Very low34.9Very low107 Ų107123.8 Ų123.870%0.69570%0.702SS**  cis-133140.21635.5-16.6000115.7
516S30.5Very low36.3Very low110 Ų110120.3 Ų120.377%0.76968%0.677SS**  trans63147.6139.365.20000119.9
517P29.1Very low37.8Very low117 Ų117120 Ų12076%0.7666%0.656SS**SBendcis-130.4170.618.133.2-12.2000115
518S32.1Very low39.6Very low120 Ų120114.9 Ų114.984%0.83964%0.642SS**  trans78.8113.4-177.175.80000115.3P520S518-P520 WeakPolarHBondContact O-CD 3.38Å
519R30.1Very low41.3Very low208 Ų208111.5 Ų111.579%0.78563%0.632SS**PPolyproline II helixtrans-83.3116.1-167.5173.5-177176.8-173.6-3.7110.4E525R519-E525 IonicContact NH2-OE1 2.66Å; R519-E525 PolarHBondContact NH2-OE1 2.82Å
520P37.8Very low42.9Very low114 Ų114110.3 Ų110.374%0.7462%0.617SS**PPolyproline II helixtrans-86.3144.8162.330.5-24.9000110.2S518S518-P520 WeakPolarHBondContact O-CD 3.38Å
521L37.2Very low44.8Very low84 Ų84106 Ų10644%0.4460%0.598SS.*PPolyproline II helixtrans-50.9141-176.3-87.677.1000112.8E525 E529L521-E525 HydrophobicContact CB-CB 4.18Å; L521-E525 HydrophobicContact CD2-CB 3.96Å; L521-E525 HydrophobicContact CG-CB 4.18Å; L521-E529 VanDerWaalsContact CD2-OE2 3.3Å; L521-E529 WeakPolarHBondContact CD2-OE2 3.46Å
522S51.6Low46.6Very low51 Ų51101.1 Ų101.136%0.35758%0.58SS.*PPolyproline II helixtrans-65152172.770.80000110.9I524 E525 L526S522-I524 PolarHBondContact O-N 2.61Å; S522-I524 VanDerWaalsContact O-N 3.09Å; S522-E525 WeakPolarHBondContact CB-OE2 3.09Å; S522-E525 PolarHBondContact N-OE2 2.94Å; S522-E525 CarbonylContact O-C 3.55Å; S522-E525 WeakPolarHBondContact O-CA 3.49Å; S522-E525 WeakPolarHBondContact O-CB 3.43Å; S522-E525 PolarHBondContact O-N 3.35Å; S522-E525 WeakPolarHBondContact OG-CB 3.48Å; S522-E525 VanDerWaalsContact OG-CD 3.3Å; S522-E525 VanDerWaalsContact OG-CG 3.26Å; S522-E525 WeakPolarHBondContact OG-CG 3.41Å; S522-E525 PolarHBondContact OG-N 3.32Å; S522-E525 PolarHBondContact OG-OE2 3.16Å; S522-L526 PolarHBondContact O-N 3.31Å
523T52.4Low47.6Very low54 Ų54100.7 Ų100.733%0.33157%0.567SS.*Hα-helixtrans-57.7-25.9-179.835.40000114.2Y508 D527Y508-T523 HydrophobicContact CD1-CG2 4.12Å; Y508-T523 HydrophobicContact CE1-CG2 3.51Å; T523-D527 WeakPolarHBondContact O-CB 2.8Å; T523-D527 VanDerWaalsContact O-CG 3.32Å; T523-D527 PolarHBondContact O-N 2.99Å
524I63Low49.2Very low135 Ų135100.4 Ų100.469%0.69256%0.556SS**Hα-helixtrans-77.9-37.3173-66162.3000111.2S522 L526 H528S522-I524 PolarHBondContact O-N 2.61Å; S522-I524 VanDerWaalsContact O-N 3.09Å; I524-L526 VanDerWaalsContact C-N 3.29Å; I524-H528 WeakPolarHBondContact O-CB 3.49Å; I524-H528 PolarHBondContact O-N 3.22Å
525E55.9Low50.5Low74 Ų74100.3 Ų100.335%0.34655%0.547SS..Hα-helixtrans-66.9-32.9171.5-70.7162.4154.900110.8R519 L521 S522 E529R519-E525 IonicContact NH2-OE1 2.66Å; R519-E525 PolarHBondContact NH2-OE1 2.82Å; L521-E525 HydrophobicContact CB-CB 4.18Å; L521-E525 HydrophobicContact CD2-CB 3.96Å; L521-E525 HydrophobicContact CG-CB 4.18Å; S522-E525 WeakPolarHBondContact CB-OE2 3.09Å; S522-E525 PolarHBondContact N-OE2 2.94Å; S522-E525 CarbonylContact O-C 3.55Å; S522-E525 WeakPolarHBondContact O-CA 3.49Å; S522-E525 WeakPolarHBondContact O-CB 3.43Å; S522-E525 PolarHBondContact O-N 3.35Å; S522-E525 WeakPolarHBondContact OG-CB 3.48Å; S522-E525 VanDerWaalsContact OG-CD 3.3Å; S522-E525 VanDerWaalsContact OG-CG 3.26Å; S522-E525 WeakPolarHBondContact OG-CG 3.41Å; S522-E525 PolarHBondContact OG-N 3.32Å; S522-E525 PolarHBondContact OG-OE2 3.16Å; E525-E529 VanDerWaalsContact O-CB 3.24Å; E525-E529 WeakPolarHBondContact O-CB 3.37Å; E525-E529 PolarHBondContact O-N 2.68Å
526L55.4Low51.6Low76 Ų76101.4 Ų101.440%0.39854%0.543SS..Hα-helixtrans-74.9-39177.1-135155.7000111.9S522 I524 E529 I530S522-L526 PolarHBondContact O-N 3.31Å; I524-L526 VanDerWaalsContact C-N 3.29Å; L526-E529 PolarHBondContact O-N 3.43Å; L526-I530 HydrophobicContact CD2-CD1 3.66Å; L526-I530 HydrophobicContact CD2-CG1 4.13Å; L526-I530 VanDerWaalsContact O-CB 3.31Å; L526-I530 WeakPolarHBondContact O-CB 3.24Å; L526-I530 WeakPolarHBondContact O-CD1 3.37Å; L526-I530 WeakPolarHBondContact O-CG1 3.28Å; L526-I530 PolarHBondContact O-N 3.44Å
527D58.3Low52.3Low74 Ų74101 Ų10140%0.39653%0.532SS..Hα-helixtrans-65-39.5170.4-76-19.9000110.9T523 I530 D531T523-D527 WeakPolarHBondContact O-CB 2.8Å; T523-D527 VanDerWaalsContact O-CG 3.32Å; T523-D527 PolarHBondContact O-N 2.99Å; D527-I530 PolarHBondContact O-N 2.96Å; D527-D531 WeakPolarHBondContact O-CB 3.39Å; D527-D531 PolarHBondContact O-N 3.49Å
528H66.2Low53.3Low118 Ų11898.2 Ų98.255%0.54652%0.515SS..Hα-helixtrans-70-34.5175.1-169.558000113.2I524 D531 L532I524-H528 WeakPolarHBondContact O-CB 3.49Å; I524-H528 PolarHBondContact O-N 3.22Å; H528-D531 PolarHBondContact O-N 3.46Å; H528-L532 WeakPolarHBondContact O-CB 3.42Å; H528-L532 WeakPolarHBondContact O-CG 3.41Å; H528-L532 PolarHBondContact O-N 2.93Å
529E62.4Low54.1Low97 Ų9798.3 Ų98.345%0.45350%0.504SS..Hα-helixtrans-73.4-34.1174.4-162.8178.4-141.500111.1L521 E525 L526 L532 M533L521-E529 VanDerWaalsContact CD2-OE2 3.3Å; L521-E529 WeakPolarHBondContact CD2-OE2 3.46Å; E525-E529 VanDerWaalsContact O-CB 3.24Å; E525-E529 WeakPolarHBondContact O-CB 3.37Å; E525-E529 PolarHBondContact O-N 2.68Å; L526-E529 PolarHBondContact O-N 3.43Å; E529-L532 PolarHBondContact O-N 3.37Å; E529-M533 VanDerWaalsContact O-CB 3.26Å; E529-M533 WeakPolarHBondContact O-CB 3.22Å; E529-M533 VanDerWaalsContact O-CG 3.23Å; E529-M533 WeakPolarHBondContact O-CG 3.15Å; E529-M533 PolarHBondContact O-N 2.92Å
530I62.9Low54.8Low77 Ų7792.8 Ų92.840%0.39549%0.49SS..Hα-helixtrans-65-43169.4-71.9165000110.3L526 D527 M533 L534L526-I530 HydrophobicContact CD2-CD1 3.66Å; L526-I530 HydrophobicContact CD2-CG1 4.13Å; L526-I530 VanDerWaalsContact O-CB 3.31Å; L526-I530 WeakPolarHBondContact O-CB 3.24Å; L526-I530 WeakPolarHBondContact O-CD1 3.37Å; L526-I530 WeakPolarHBondContact O-CG1 3.28Å; L526-I530 PolarHBondContact O-N 3.44Å; D527-I530 PolarHBondContact O-N 2.96Å; I530-M533 PolarHBondContact O-N 3.32Å; I530-L534 HydrophobicContact CG2-CD1 3.87Å; I530-L534 HydrophobicContact CG2-CG 4.41Å; I530-L534 WeakPolarHBondContact O-CB 3.19Å; I530-L534 WeakPolarHBondContact O-CG 3.45Å; I530-L534 PolarHBondContact O-N 3.45Å
531D66.5Low54.9Low91 Ų9192.4 Ų92.449%0.48749%0.489SS..Hα-helixtrans-66.3-39.9175.7-75.9-20.2000111.7D527 H528 L534 D535D527-D531 WeakPolarHBondContact O-CB 3.39Å; D527-D531 PolarHBondContact O-N 3.49Å; H528-D531 PolarHBondContact O-N 3.46Å; D531-L534 PolarHBondContact O-N 3.15Å; D531-D535 WeakPolarHBondContact O-CB 3.49Å; D531-D535 PolarHBondContact O-N 3.46Å
532L63.8Low55.1Low88 Ų8894.7 Ų94.746%0.46150%0.501SS..Hα-helixtrans-67.8-36.7173.1-80.4167.1000112.6H528 E529 L534 D535 E536H528-L532 WeakPolarHBondContact O-CB 3.42Å; H528-L532 WeakPolarHBondContact O-CG 3.41Å; H528-L532 PolarHBondContact O-N 2.93Å; E529-L532 PolarHBondContact O-N 3.37Å; L532-L534 VanDerWaalsContact C-N 3.34Å; L532-D535 PolarHBondContact O-N 3.31Å; L532-E536 WeakPolarHBondContact O-CB 3.27Å; L532-E536 PolarHBondContact O-N 3.48Å
533M51Low54.6Low108 Ų10899.6 Ų99.653%0.53252%0.518SS..Hα-helixtrans-68.6-34.1172.9-78.6-172.971.200111.4E529 I530 L537E529-M533 VanDerWaalsContact O-CB 3.26Å; E529-M533 WeakPolarHBondContact O-CB 3.22Å; E529-M533 VanDerWaalsContact O-CG 3.23Å; E529-M533 WeakPolarHBondContact O-CG 3.15Å; E529-M533 PolarHBondContact O-N 2.92Å; I530-M533 PolarHBondContact O-N 3.32Å; M533-L537 WeakPolarHBondContact O-CB 3.39Å; M533-L537 WeakPolarHBondContact O-CD1 3.38Å; M533-L537 WeakPolarHBondContact O-CG 3.26Å; M533-L537 PolarHBondContact O-N 3.1Å
534L61.7Low53.9Low102 Ų102104.2 Ų104.253%0.53454%0.54SS..Hα-helixtrans-71.2-35.9173.3-73.5169.2000111.3I530 D531 L532 S538I530-L534 HydrophobicContact CG2-CD1 3.87Å; I530-L534 HydrophobicContact CG2-CG 4.41Å; I530-L534 WeakPolarHBondContact O-CB 3.19Å; I530-L534 WeakPolarHBondContact O-CG 3.45Å; I530-L534 PolarHBondContact O-N 3.45Å; D531-L534 PolarHBondContact O-N 3.15Å; L532-L534 VanDerWaalsContact C-N 3.34Å; L534-S538 WeakPolarHBondContact O-CB 3.14Å; L534-S538 PolarHBondContact O-N 2.96Å
535D58.6Low52.4Low101 Ų101103.2 Ų103.254%0.5454%0.541SS..Hα-helixtrans-70.9-42.3173.4-82.8-11.3000112.1D531 L532 L537 S538 M539D531-D535 WeakPolarHBondContact O-CB 3.49Å; D531-D535 PolarHBondContact O-N 3.46Å; L532-D535 PolarHBondContact O-N 3.31Å; D535-L537 VanDerWaalsContact C-N 3.34Å; D535-L537 PolarHBondContact O-N 3.42Å; D535-S538 CarbonylContact O-C 3.59Å; D535-S538 WeakPolarHBondContact O-CA 3.34Å; D535-S538 WeakPolarHBondContact O-CB 3.47Å; D535-S538 PolarHBondContact O-N 3.41Å; D535-S538 VanDerWaalsContact O-N 3.09Å; D535-S538 PolarHBondContact O-OG 2.9Å; D535-M539 WeakPolarHBondContact O-CG 3.4Å; D535-M539 PolarHBondContact O-N 3.49Å
536E56.9Low51.3Low130 Ų130107.1 Ų107.161%0.60756%0.564SS**Hα-helixtrans-63.8-38.2172-97.3-168.8155.900111.8L532 S538 M539 N540L532-E536 WeakPolarHBondContact O-CB 3.27Å; L532-E536 PolarHBondContact O-N 3.48Å; E536-S538 VanDerWaalsContact C-N 3.28Å; E536-M539 PolarHBondContact O-N 3.14Å; E536-N540 VanDerWaalsContact O-CB 3.32Å; E536-N540 WeakPolarHBondContact O-CB 3.45Å; E536-N540 PolarHBondContact O-N 3.13Å; E536-N540 PolarHBondContact O-ND2 3.18Å
537L44.9Very low50.3Low103 Ų103109.3 Ų109.354%0.53959%0.586SS.*Hα-helixtrans-69.6-27.9172.8-74.4170000111.9M533 D535 C541M533-L537 WeakPolarHBondContact O-CB 3.39Å; M533-L537 WeakPolarHBondContact O-CD1 3.38Å; M533-L537 WeakPolarHBondContact O-CG 3.26Å; M533-L537 PolarHBondContact O-N 3.1Å; D535-L537 VanDerWaalsContact C-N 3.34Å; D535-L537 PolarHBondContact O-N 3.42Å; L537-C541 WeakPolarHBondContact O-CB 3.13Å; L537-C541 PolarHBondContact O-N 3.46Å; L537-C541 PolarHBondContact O-SG 2.97Å
538S51.4Low48.9Very low57 Ų57112.9 Ų112.940%0.39961%0.605SS.*Hα-helixtrans-73.2-38.2172.790.30000112L534 D535 E536L534-S538 WeakPolarHBondContact O-CB 3.14Å; L534-S538 PolarHBondContact O-N 2.96Å; D535-S538 CarbonylContact O-C 3.59Å; D535-S538 WeakPolarHBondContact O-CA 3.34Å; D535-S538 WeakPolarHBondContact O-CB 3.47Å; D535-S538 PolarHBondContact O-N 3.41Å; D535-S538 VanDerWaalsContact O-N 3.09Å; D535-S538 PolarHBondContact O-OG 2.9Å; E536-S538 VanDerWaalsContact C-N 3.28Å
539M47.2Very low47.3Very low123 Ų123114.6 Ų114.661%0.60662%0.617SS**Hα-helixtrans-77.1-35.9179.9-67.1-60.8-71.500112.6D535 E536 C541 L542D535-M539 WeakPolarHBondContact O-CG 3.4Å; D535-M539 PolarHBondContact O-N 3.49Å; E536-M539 PolarHBondContact O-N 3.14Å; M539-C541 VanDerWaalsContact C-N 3.31Å; M539-C541 PolarHBondContact O-N 2.79Å; M539-L542 PolarHBondContact O-N 3.41Å
540N45.5Very low45.9Very low92 Ų92116.6 Ų116.649%0.49263%0.631SS.*Hα-helixtrans-75.4-17.5176.5-72.8-27.1000113.6E536 L542E536-N540 VanDerWaalsContact O-CB 3.32Å; E536-N540 WeakPolarHBondContact O-CB 3.45Å; E536-N540 PolarHBondContact O-N 3.13Å; E536-N540 PolarHBondContact O-ND2 3.18Å; N540-L542 VanDerWaalsContact C-N 3.3Å
541C40.9Very low44.3Very low105 Ų105118.3 Ų118.371%0.70965%0.645SS**THydrogen-bonded Turntrans-82.1-6.8173.6-71.50000113.4L537 M539L537-C541 WeakPolarHBondContact O-CB 3.13Å; L537-C541 PolarHBondContact O-N 3.46Å; L537-C541 PolarHBondContact O-SG 2.97Å; M539-C541 VanDerWaalsContact C-N 3.31Å; M539-C541 PolarHBondContact O-N 2.79Å
542L40.9Very low42.6Very low132 Ų132121.6 Ų121.669%0.69166%0.662SS**THydrogen-bonded Turntrans-89-9.5175.8-98.3133.8000114M539 N540M539-L542 PolarHBondContact O-N 3.41Å; N540-L542 VanDerWaalsContact C-N 3.3Å
543E40.9Very low40.9Very low155 Ų155120.7 Ų120.772%0.72467%0.674SS**SBendtrans-104.3-9.3-172-73.7-172.515900116.7
544N37.3Very low40Very low150 Ų150124 Ų12480%0.80269%0.692SS**  trans-111.516.3-170.8-77.4-25.4000116.1D546N544-D546 PolarHBondContact O-N 3.41Å
545T31.1Very low38.4Very low115 Ų115128.5 Ų128.571%0.70671%0.707SS**  trans-86.393.7161.851.50000108.8
546D33.1Very low37.1Very low155 Ų155131.7 Ų131.783%0.82972%0.723SS**  trans177.1146.5143.6-87.7-22.7000110.4N544N544-D546 PolarHBondContact O-N 3.41Å
547S34Very low35.8Very low123 Ų123133.9 Ų133.986%0.8673%0.733SS**  trans9487170.475.10000119.1
548N29Very low34.9Very low149 Ų149137.7 Ų137.780%0.79775%0.748SS**  trans-59.7151.9148.7-65.3-52.7000111.3
549L32.3Very low33.6Very low153 Ų153140.7 Ų140.780%0.80177%0.767SS**  155.2132.7128.4-85.3154.4000114
550L33Very low32.6Very low140 Ų140139.8 Ų139.873%0.73377%0.773SS**  trans87.9105.1143.6-66.5162.3000121.8
551T31.2Very low31.6Very low112 Ų112147 Ų14769%0.68779%0.794SS**  51.7132.1121.3510000123.8
552D29.4Very low31Very low161 Ų161147.4 Ų147.486%0.86180%0.795SS**  trans76.4116.5141.4-67.8-11.8000123.1
553G28.9Very low30.2Very low69 Ų69151.1 Ų151.171%0.71181%0.805SS**  108.8123.5126.400000120.4
554I31.5Very low29.6Very low176 Ų176153.2 Ų153.290%0.90382%0.815SS**  trans100.7126.1146.6-52171.2000118.8
555K27.8Very low29Very low197 Ų197155.2 Ų155.286%0.85781%0.811SS**  trans-72.7138.4-178.6-61.5166.2172.7174.80114.1
556I31.4Very low28.8Very low169 Ų169158 Ų15887%0.86782%0.821SS**  trans-150.5148.9149.2-59.1-172000111.8
557Q29.5Very low28.6Very low176 Ų176156.2 Ų156.282%0.82282%0.821SS**  trans-51.5158.8-173.1-87.5158.5-38.800122.1
558H26.2Very low28.4Very low182 Ų182159.9 Ų159.984%0.84382%0.816SS**  trans-18.5123.5160.6-69-92.9000119.6
559C24.3Very low28.3Very low120 Ų120157.7 Ų157.781%0.81181%0.81SS**  175.5134.7119.2-105.70000112.7
560S26.5Very low28Very low105 Ų105157.5 Ų157.573%0.73481%0.809SS**  trans58.5110149.650.80000122.5
561R24.9Very low27.8Very low244 Ų244154.9 Ų154.992%0.92180%0.802SS**  trans63.2159.4155-66-178.5176.7-179.1-0.4116.6
562P27.5Very low27.8Very low112 Ų112157.5 Ų157.573%0.72781%0.811SS**  cis-131.2172.6-26.732.8-13000113.5
563K25.2Very low27.6Very low211 Ų211157.5 Ų157.592%0.91781%0.81SS**  trans3197.2153.6-71.1177.7175.9174.30118
564E26.7Very low27.5Very low198 Ų198160.3 Ų160.393%0.92581%0.809SS**  trans-112132150.1-87.9-173.9157.200111.1
565R26.4Very low27.4Very low192 Ų192160 Ų16073%0.72581%0.81SS**  trans-84134.5-179.3-67.5166.9166.3156.6-3.2109.6
566L25.9Very low27.5Very low173 Ų173156.3 Ų156.391%0.90680%0.803SS**  trans-149119.7138.8-67.5175.6000103.7
567S28.5Very low27.4Very low119 Ų119156.2 Ų156.283%0.83281%0.805SS**  cis-155.6121.143.617.90000108.6
568R29.9Very low27.4Very low199 Ų199155.9 Ų155.975%0.75180%0.803SS**  trans-70160.8167.1-103.2-179.4176.3-173.3-3.7110.6
569P28.4Very low27.6Very low104 Ų104154.7 Ų154.768%0.67580%0.797SS**  trans-84.9163-16136.1-35.7000113.1S571P569-S571 PolarHBondContact O-N 3.44Å
570L24.5Very low28Very low148 Ų148157.2 Ų157.278%0.77580%0.797SS**  trans-65.799.2169.4-76161.1000110.1
571S29.7Very low28.1Very low86 Ų86160.5 Ų160.560%0.60180%0.8SS**  trans-139.6141.4160.5580000108.1P569P569-S571 PolarHBondContact O-N 3.44Å
572L30.7Very low28.6Very low167 Ų167152.8 Ų152.887%0.87478%0.784SS**  trans99.379.4176.1-70.486.8000118
573L26.4Very low29Very low160 Ų160153.3 Ų153.384%0.83878%0.781SS**  trans-156.8108.6148.6-123.2121.1000102.9
574N26.5Very low29.6Very low128 Ų128149.1 Ų149.168%0.68477%0.767SS**SBendcis-148.7131.221.3-77.7-30.8000108
575D29.2Very low30Very low171 Ų171147 Ų14791%0.91476%0.762SS**SBendtrans-161.163.5137.8-96.7-17.2000107.1
576T29.5Very low30.6Very low118 Ų118142.6 Ų142.672%0.72476%0.76SS**  trans-133104.4154.950.10000105.9
577N28.5Very low31Very low168 Ų168141.2 Ų141.290%0.89875%0.753SS**  trans-155.773.8151.6-93.1-16.8000107.1
578H30.5Very low31.1Very low169 Ų169143.7 Ų143.778%0.78275%0.754SS**  trans-74136144.4-98.4-68.6000107.4
579H29.7Very low31.2Very low156 Ų156141.1 Ų141.172%0.72276%0.755SS**  trans60.396.1164.3-65-57.9000116.8
580H32.6Very low31.2Very low174 Ų174143.3 Ų143.381%0.80676%0.761SS**  -169.985.4124-95-61000109.4S582H580-S582 VanDerWaalsContact C-N 3.35Å; H580-S582 PolarHBondContact O-N 2.98Å
581Q30.1Very low31.5Very low173 Ų173143.7 Ų143.781%0.80876%0.764SS**THydrogen-bonded Turntrans-8081164.9-176.582.128.400107.5
582S35Very low31.4Very low82 Ų82148 Ų14857%0.57378%0.775SS**THydrogen-bonded Turntrans-161-11.7167.557.60000117.2H580H580-S582 VanDerWaalsContact C-N 3.35Å; H580-S582 PolarHBondContact O-N 2.98Å
583D35Very low31.5Very low123 Ų123151.2 Ų151.266%0.65878%0.777SS**  trans-112.328.5-170.1-61.82.9000113.7D585D583-D585 PolarHBondContact O-N 3.12Å
584I37.7Very low31.6Very low124 Ų124150.7 Ų150.764%0.63678%0.775SS**THydrogen-bonded Turntrans-72.5-13-169.5-78.4176.7000116
585D35.8Very low32Very low154 Ų154152.5 Ų152.582%0.82478%0.784SS**THydrogen-bonded Turntrans-110.94.1-170.7-72.1-27.5000116.8D583D583-D585 PolarHBondContact O-N 3.12Å
586S39.7Very low32.4Very low98 Ų98152.6 Ų152.669%0.68578%0.779SS**SBendtrans-120.47.1-167.2540000118
587L32.5Very low32.7Very low144 Ų144151.3 Ų151.375%0.75478%0.775SS**  trans-125.526.4179.2-82.6160.4000114.8N589L587-N589 PolarHBondContact O-N 3.21Å; L587-N589 VanDerWaalsContact O-N 3.12Å
588M32.3Very low33.5Very low172 Ų172149.4 Ų149.485%0.84776%0.764SS**  trans-72.719.2169.3-81.4-95.1-77.800114.4
589N30.4Very low34.2Very low144 Ų144145.9 Ų145.977%0.7776%0.759SS**  trans-146.667.2-172.8-84.9-28.6000113L587L587-N589 PolarHBondContact O-N 3.21Å; L587-N589 VanDerWaalsContact O-N 3.12Å
590N29.2Very low35.5Very low151 Ų151140.6 Ų140.681%0.80774%0.736SS**  trans-153.470.3159-85.2-38.9000110
591D29.9Very low36.9Very low155 Ų155134.9 Ų134.983%0.82971%0.714SS**  trans-69.7146.8156.5-78.5-45.8000109.5
592Q28.1Very low38.8Very low178 Ų178131.8 Ų131.883%0.83270%0.7SS**  trans90.380.8170.5-56.3175.5-32.400118.6
593Y33.2Very low40.8Very low233 Ų233129.2 Ų129.291%0.91468%0.679SS**  trans-150.1133.6143-85.1-74.6000110.3
594D28.9Very low43.1Very low150 Ų150127 Ų12780%0.80267%0.668SS**  trans-65.6136.1-158.5-68.4-55.8000118.6
595N34.3Very low45.2Very low165 Ų165122.5 Ų122.588%0.88265%0.646SS**  trans-95.226-174.7-90.7-40.5000116.2
596H38.7Very low47.7Very low174 Ų174119.6 Ų119.681%0.80662%0.624SS**  trans-99.73.1-169.2-81.6-59.7000117.9
597S35.7Very low49.8Very low91 Ų91115 Ų11564%0.63659%0.592SS**SBendtrans-95.1-4.9-16663.20000118.2
598N44.2Very low52.4Low127 Ų127113.5 Ų113.568%0.67958%0.579SS**  trans-119.510.7-160.4-70.8-1.5000118
599S45.9Very low54.8Low96 Ų96105.7 Ų105.767%0.67154%0.541SS*.SBendtrans-94.9155.4179.657.90000114.2
600L57.2Low57.2Low44 Ų4498.9 Ų98.923%0.2350%0.504CS..PPolyproline II helixtrans-55.4147.5170.7-89.897.8000111.3E602 L827L600-E602 PolarHBondContact O-N 3.12Å; L600-L827 HydrophobicContact CD1-CB 3.27Å; L600-L827 HydrophobicContact CD1-CD1 4.24Å; L600-L827 HydrophobicContact CD1-CD2 3.53Å; L600-L827 HydrophobicContact CD1-CG 3.81Å; L600-L827 WeakPolarHBondContact CD1-O 3.32Å; L600-L827 HydrophobicContact CD2-CD2 4.33Å
601P61.1Low59.4Low54 Ų5496.9 Ų96.935%0.35149%0.489SS..PPolyproline II helixtrans-67.8122168.927.2-30.5000110.3L603 F832P601-L603 PolarHBondContact O-N 3.01Å; P601-F832 HydrophobicContact CG-CD1 4.47Å; P601-F832 HydrophobicContact CG-CE1 4.23Å; P601-F832 HydrophobicContact CG-CZ 4.45Å
602E69.2Low60.8Low109 Ų10991.7 Ų91.751%0.50946%0.463SS..  trans-67.2110.8167.3-67-171163.100108.8L600L600-E602 PolarHBondContact O-N 3.12Å
603L78.2Confident62Low28 Ų2892.9 Ų92.915%0.14746%0.46CS..  trans-85.3129.9174.3-71.2-175.7000110.4P601 S626 V627 D778 W779 I782P601-L603 PolarHBondContact O-N 3.01Å; L603-S626 WeakPolarHBondContact O-CA 3.32Å; L603-V627 PolarHBondContact O-N 2.63Å; L603-D778 HydrophobicContact CD1-CB 3.87Å; L603-W779 HydrophobicContact CB-CH2 4.45Å; L603-W779 HydrophobicContact CB-CZ2 4.1Å; L603-I782 HydrophobicContact CB-CD1 4.1Å; L603-I782 HydrophobicContact CD1-CD1 3.25Å; L603-I782 HydrophobicContact CD1-CG1 3.7Å; L603-I782 HydrophobicContact CG-CD1 3.49Å; L603-I782 VanDerWaalsContact CG-CD1 3.49Å; L603-I782 HydrophobicContact CG-CG1 4.45Å
604N82.2Confident62.7Low76 Ų7688.9 Ų88.941%0.40645%0.447SS..EExtended strand (participates in β ladder)trans-138.1112-179.160.1-1.5000111.2Y624 I625N604-Y624 HydrophobicContact CB-CE1 4.4Å; N604-Y624 WeakPolarHBondContact CB-OH 3.44Å; N604-Y624 PolarHBondContact ND2-OH 2.86Å; N604-I625 WeakPolarHBondContact CA-O 3.42Å
605T83.5Confident63.4Low29 Ų2989.8 Ų89.818%0.17844%0.444CS..EExtended strand (participates in β ladder)trans-146.4160.6-175.668.80000112.8V607 I625 W779T605-V607 WeakPolarHBondContact OG1-CG2 3.32Å; T605-I625 PolarHBondContact N-O 2.8Å; T605-I625 VanDerWaalsContact N-O 3.08Å; T605-I625 PolarHBondContact O-N 2.89Å; T605-W779 HydrophobicContact CG2-CZ2 4.41Å; T605-W779 WeakPolarHBondContact OG1-CZ2 3.49Å; T605-W779 PolarHBondContact OG1-NE1 3.3Å
606Y87.6Confident64Low93 Ų9384.7 Ų84.737%0.36543%0.431SS..EExtended strand (participates in β ladder)trans-84.3124168.2-78.4-77.7000110.4R622 Y623 Y624 K638Y606-R622 HydrophobicContact CD1-CG 4.06Å; Y606-Y623 WeakPolarHBondContact CA-O 3.24Å; Y606-Y624 HydrophobicContact CD1-CD2 4.01Å; Y606-Y624 AromaticContact CD2-CD2 3.92Å; Y606-Y624 HydrophobicContact CD2-CD2 3.92Å; Y606-Y624 HydrophobicContact CD2-CE2 4.33Å; Y606-Y624 AromaticContact CE1-CD2 3.93Å; Y606-Y624 HydrophobicContact CE1-CD2 3.93Å; Y606-Y624 HydrophobicContact CE1-CG 4.4Å; Y606-Y624 AromaticContact CE2-CD2 3.82Å; Y606-Y624 HydrophobicContact CE2-CD2 3.82Å; Y606-Y624 HydrophobicContact CE2-CE2 4.2Å; Y606-Y624 HydrophobicContact CG-CD2 4.03Å; Y606-Y624 AromaticContact CZ-CD2 3.85Å; Y606-K638 HydrophobicContact CE2-CB 4.46Å; Y606-K638 WeakPolarHBondContact OH-CB 3.24Å
607V84.5Confident64.6Low2 Ų284.2 Ų84.21%0.01243%0.434CS..EExtended strand (participates in β ladder)trans-128.5144.5-178.4-176.80000109.6T605 I609 Y623 I625 L768 R769 F770T605-V607 WeakPolarHBondContact OG1-CG2 3.32Å; V607-I609 PolarHBondContact O-N 2.7Å; V607-Y623 PolarHBondContact N-O 2.73Å; V607-Y623 PolarHBondContact O-N 3.25Å; V607-I625 HydrophobicContact CB-CD1 3.64Å; V607-I625 HydrophobicContact CB-CG1 4.27Å; V607-I625 HydrophobicContact CG1-CD1 4.14Å; V607-I625 HydrophobicContact CG2-CD1 3.92Å; V607-I625 HydrophobicContact CG2-CG1 4.4Å; V607-L768 HydrophobicContact CG1-CB 3.99Å; V607-L768 HydrophobicContact CG1-CD2 4.23Å; V607-R769 WeakPolarHBondContact CG1-O 3.12Å; V607-F770 HydrophobicContact CB-CE1 4.38Å; V607-F770 HydrophobicContact CG1-CD1 4.21Å; V607-F770 HydrophobicContact CG1-CE1 3.89Å; V607-F770 HydrophobicContact CG1-CZ 4.09Å; V607-F770 HydrophobicContact CG2-CD1 3.91Å; V607-F770 HydrophobicContact CG2-CE1 3.48Å; V607-F770 VanDerWaalsContact CG2-CE1 3.48Å; V607-F770 HydrophobicContact CG2-CZ 4.32Å
608K86.1Confident65.9Low113 Ų11385.3 Ų85.349%0.49143%0.427SS..EExtended strand (participates in β ladder)trans-85.3110.3173-73.6178.3-177.1175.30108.7F620 H621 R769K608-F620 HydrophobicContact CB-CB 4.28Å; K608-F620 HydrophobicContact CB-CD1 4.2Å; K608-H621 CarbonylContact C-O 3.45Å; K608-H621 WeakPolarHBondContact CA-O 3.17Å; K608-R769 HydrophobicContact CB-CB 4.11Å; K608-R769 PolarHBondContact N-O 2.96Å; K608-R769 VanDerWaalsContact N-O 3.15Å; K608-R769 PolarHBondContact O-N 3.43Å
609I83.9Confident67.2Low7 Ų783.2 Ų83.24%0.03642%0.419CS..EExtended strand (participates in β ladder)trans-100132.9178.2-46.8-176.7000109.3V607 H621 Y623 I625 V634 L766 C767 L768V607-I609 PolarHBondContact O-N 2.7Å; I609-H621 PolarHBondContact N-O 3.07Å; I609-H621 PolarHBondContact O-N 2.95Å; I609-Y623 HydrophobicContact CB-CD2 3.88Å; I609-Y623 HydrophobicContact CB-CE2 4.43Å; I609-Y623 HydrophobicContact CD1-CD2 3.88Å; I609-Y623 HydrophobicContact CD1-CG 4.08Å; I609-Y623 HydrophobicContact CG1-CD2 3.93Å; I609-Y623 HydrophobicContact CG1-CG 4.48Å; I609-I625 HydrophobicContact CD1-CD1 3.56Å; I609-I625 HydrophobicContact CD1-CG1 4.04Å; I609-I625 HydrophobicContact CG1-CD1 3.97Å; I609-V634 HydrophobicContact CD1-CG1 3.72Å; I609-V634 HydrophobicContact CD1-CG2 4.31Å; I609-L766 HydrophobicContact CG2-CD2 3.64Å; I609-C767 CarbonylContact C-O 3.39Å; I609-C767 WeakPolarHBondContact CA-O 3.5Å; I609-L768 HydrophobicContact CB-CD2 4.33Å; I609-L768 HydrophobicContact CD1-CD2 4.1Å; I609-L768 HydrophobicContact CG1-CD2 3.71Å; I609-L768 HydrophobicContact CG2-CD2 4.11Å
610C80.2Confident68.7Low1 Ų181.5 Ų81.51%0.00740%0.399CS..EExtended strand (participates in β ladder)trans-119.6121.8167.5-174.70000109.6V619 F620 C767C610-V619 PolarHBondContact SG-O 3.39Å; C610-F620 HydrophobicContact CB-CD1 3.53Å; C610-F620 HydrophobicContact CB-CD2 4.32Å; C610-F620 HydrophobicContact CB-CE1 3.52Å; C610-F620 HydrophobicContact CB-CE2 4.31Å; C610-F620 HydrophobicContact CB-CG 3.94Å; C610-F620 HydrophobicContact CB-CZ 3.93Å; C610-C767 HydrophobicContact CB-CB 4.29Å; C610-C767 PolarHBondContact N-O 3.21Å; C610-C767 PolarHBondContact O-N 3.5Å
611K74.1Confident70Confident110 Ų11084 Ų8448%0.47841%0.41SS..  trans-90.8111.2163.5-63-172.2-175.1-167.20106.8R613 E649 L766K611-R613 PolarHBondContact O-N 2.8Å; K611-R613 VanDerWaalsContact O-N 3.11Å; K611-E649 VanDerWaalsContact CE-OE2 3.22Å; K611-E649 WeakPolarHBondContact CE-OE2 3.21Å; K611-E649 IonicContact NZ-OE1 3.95Å; K611-E649 PolarHBondContact NZ-OE1 2.86Å; K611-E649 IonicContact NZ-OE2 2.82Å; K611-E649 PolarHBondContact NZ-OE2 3.3Å; K611-L766 HydrophobicContact CD-CD2 4.45Å; K611-L766 HydrophobicContact CG-CD2 3.89Å
612P59.8Low71.2Confident45 Ų4589.3 Ų89.329%0.29242%0.422SS..  trans-61.9117.6178.925.2-28.9000108.9E765P612-E765 WeakPolarHBondContact CD-O 3.41Å; P612-E765 HydrophobicContact CG-CB 3.88Å; P612-E765 HydrophobicContact CG-CG 4.1Å
613R54.2Low72Confident203 Ų20387.4 Ų87.477%0.76641%0.411SS*.  trans-82.8131.7168-70.6-175.8176.6173.41.1107.3K611 F615K611-R613 PolarHBondContact O-N 2.8Å; K611-R613 VanDerWaalsContact O-N 3.11Å; R613-F615 PolarHBondContact O-N 2.71Å
614K48Very low72.4Confident149 Ų14986.5 Ų86.565%0.64841%0.406SS*.SBendtrans-57.4-20.4174.7-65.7-174.1176.4-174.40112.8
615F42.3Very low72.6Confident169 Ų16983 Ų8374%0.74139%0.387SS*.SBendtrans-132.199.7175.5-56.1-79.7000109.5R613R613-F615 PolarHBondContact O-N 2.71Å
616G46.8Very low72.7Confident59 Ų5981.6 Ų81.661%0.60838%0.379SS*.SBendtrans142.3160.6174.400000114.1
617L51.8Low72.5Confident163 Ų16377.6 Ų77.685%0.85336%0.364SS*.  trans-58.9142.9172.6-67.9163.8000110.2V619L617-V619 WeakPolarHBondContact O-CG2 3.45Å; L617-V619 PolarHBondContact O-N 2.82Å
618K63.3Low72.2Confident115 Ų11580.9 Ų80.950%0.538%0.378SS..  trans-65.296.1172.8-73.5-173.7-178.5-175.40109.6
619V71.2Confident71.6Confident83 Ų8377.8 Ų77.850%0.50338%0.378SS..  trans-90.8117.3177.8-172.50000109.8C610 L617 H621C610-V619 PolarHBondContact SG-O 3.39Å; L617-V619 WeakPolarHBondContact O-CG2 3.45Å; L617-V619 PolarHBondContact O-N 2.82Å; V619-H621 WeakPolarHBondContact CG1-CE1 3.46Å; V619-H621 PolarHBondContact O-ND1 2.91Å
620F78.6Confident71.2Confident59 Ų5979.5 Ų79.526%0.25939%0.389SS..  trans-83.8124.5173.8-72.2-90.8000110.1K608 C610 R769K608-F620 HydrophobicContact CB-CB 4.28Å; K608-F620 HydrophobicContact CB-CD1 4.2Å; C610-F620 HydrophobicContact CB-CD1 3.53Å; C610-F620 HydrophobicContact CB-CD2 4.32Å; C610-F620 HydrophobicContact CB-CE1 3.52Å; C610-F620 HydrophobicContact CB-CE2 4.31Å; C610-F620 HydrophobicContact CB-CG 3.94Å; C610-F620 HydrophobicContact CB-CZ 3.93Å; F620-R769 HydrophobicContact CD1-CB 4.29Å; F620-R769 HydrophobicContact CE1-CB 4.08Å
621H82.8Confident71.3Confident97 Ų9782.3 Ų82.345%0.44940%0.402SS..EExtended strand (participates in β ladder)trans-110.7139.5174.7-66.977.5000109.1K608 I609 V619 Y623K608-H621 CarbonylContact C-O 3.45Å; K608-H621 WeakPolarHBondContact CA-O 3.17Å; I609-H621 PolarHBondContact N-O 3.07Å; I609-H621 PolarHBondContact O-N 2.95Å; V619-H621 WeakPolarHBondContact CG1-CE1 3.46Å; V619-H621 PolarHBondContact O-ND1 2.91Å; H621-Y623 HydrophobicContact CB-CD2 4.11Å; H621-Y623 HydrophobicContact CB-CE2 3.46Å; H621-Y623 VanDerWaalsContact CB-CE2 3.46Å; H621-Y623 WeakPolarHBondContact O-CD2 3.16Å
622R87.2Confident71.7Confident165 Ų16577.2 Ų77.262%0.62338%0.38SS*.EExtended strand (participates in β ladder)trans-82126178-175.2178.8176.9172.60.8109.1Y606Y606-R622 HydrophobicContact CD1-CG 4.06Å
623Y86.2Confident72.9Confident70 Ų7076.7 Ų76.728%0.27537%0.373SS..EExtended strand (participates in β ladder)trans-127.9159.5175.7-71.2-83.6000110.1Y606 V607 I609 H621 V634 Y635Y606-Y623 WeakPolarHBondContact CA-O 3.24Å; V607-Y623 PolarHBondContact N-O 2.73Å; V607-Y623 PolarHBondContact O-N 3.25Å; I609-Y623 HydrophobicContact CB-CD2 3.88Å; I609-Y623 HydrophobicContact CB-CE2 4.43Å; I609-Y623 HydrophobicContact CD1-CD2 3.88Å; I609-Y623 HydrophobicContact CD1-CG 4.08Å; I609-Y623 HydrophobicContact CG1-CD2 3.93Å; I609-Y623 HydrophobicContact CG1-CG 4.48Å; H621-Y623 HydrophobicContact CB-CD2 4.11Å; H621-Y623 HydrophobicContact CB-CE2 3.46Å; H621-Y623 VanDerWaalsContact CB-CE2 3.46Å; H621-Y623 WeakPolarHBondContact O-CD2 3.16Å; Y623-V634 HydrophobicContact CD1-CG1 4.02Å; Y623-V634 HydrophobicContact CG-CG1 3.99Å; Y623-Y635 WeakPolarHBondContact CD1-O 3.28Å
624Y86.5Confident74.3Confident9 Ų967.2 Ų67.24%0.03534%0.338CS..EExtended strand (participates in β ladder)trans-99.2119.7172.2-171-103.1000109N604 Y606 Y635 K638 Y641N604-Y624 HydrophobicContact CB-CE1 4.4Å; N604-Y624 WeakPolarHBondContact CB-OH 3.44Å; N604-Y624 PolarHBondContact ND2-OH 2.86Å; Y606-Y624 HydrophobicContact CD1-CD2 4.01Å; Y606-Y624 AromaticContact CD2-CD2 3.92Å; Y606-Y624 HydrophobicContact CD2-CD2 3.92Å; Y606-Y624 HydrophobicContact CD2-CE2 4.33Å; Y606-Y624 AromaticContact CE1-CD2 3.93Å; Y606-Y624 HydrophobicContact CE1-CD2 3.93Å; Y606-Y624 HydrophobicContact CE1-CG 4.4Å; Y606-Y624 AromaticContact CE2-CD2 3.82Å; Y606-Y624 HydrophobicContact CE2-CD2 3.82Å; Y606-Y624 HydrophobicContact CE2-CE2 4.2Å; Y606-Y624 HydrophobicContact CG-CD2 4.03Å; Y606-Y624 AromaticContact CZ-CD2 3.85Å; Y624-Y635 HydrophobicContact CD1-CD2 4.42Å; Y624-Y635 PolarHBondContact N-O 3.33Å; Y624-Y635 WeakPolarHBondContact O-CA 3.36Å; Y624-Y635 PolarHBondContact O-N 3.47Å; Y624-K638 HydrophobicContact CD1-CB 4.47Å; Y624-K638 HydrophobicContact CD2-CB 4.12Å; Y624-K638 HydrophobicContact CD2-CG 4.45Å; Y624-K638 HydrophobicContact CE1-CG 4.25Å; Y624-K638 HydrophobicContact CE2-CB 4.24Å; Y624-K638 HydrophobicContact CE2-CD 4.21Å; Y624-K638 HydrophobicContact CE2-CG 4.07Å; Y624-K638 HydrophobicContact CG-CB 4.23Å; Y624-Y641 HydrophobicContact CD1-CG 4.15Å; Y624-Y641 AromaticContact CE1-CD1 3.69Å; Y624-Y641 HydrophobicContact CE1-CD1 3.69Å; Y624-Y641 HydrophobicContact CE1-CD2 4.26Å; Y624-Y641 HydrophobicContact CE1-CE1 4.38Å; Y624-Y641 AromaticContact CE1-CG 3.62Å; Y624-Y641 HydrophobicContact CE1-CG 3.62Å
625I86.4Confident76.1Confident2 Ų260.6 Ų60.61%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-113.5136.1-174.8-51-178.2000109.1N604 T605 V607 I609 L632 F633 L768 W779N604-I625 WeakPolarHBondContact CA-O 3.42Å; T605-I625 PolarHBondContact N-O 2.8Å; T605-I625 VanDerWaalsContact N-O 3.08Å; T605-I625 PolarHBondContact O-N 2.89Å; V607-I625 HydrophobicContact CB-CD1 3.64Å; V607-I625 HydrophobicContact CB-CG1 4.27Å; V607-I625 HydrophobicContact CG1-CD1 4.14Å; V607-I625 HydrophobicContact CG2-CD1 3.92Å; V607-I625 HydrophobicContact CG2-CG1 4.4Å; I609-I625 HydrophobicContact CD1-CD1 3.56Å; I609-I625 HydrophobicContact CD1-CG1 4.04Å; I609-I625 HydrophobicContact CG1-CD1 3.97Å; I625-L632 HydrophobicContact CG2-CD1 3.25Å; I625-L632 HydrophobicContact CG2-CD2 4.45Å; I625-L632 HydrophobicContact CG2-CG 3.86Å; I625-F633 WeakPolarHBondContact CA-O 3.45Å; I625-L768 HydrophobicContact CD1-CD2 3.93Å; I625-W779 HydrophobicContact CB-CH2 4.02Å; I625-W779 HydrophobicContact CB-CZ2 4.47Å; I625-W779 HydrophobicContact CG2-CH2 3.65Å; I625-W779 HydrophobicContact CG2-CZ3 4Å
626S84.7Confident78Confident0 Ų059.3 Ų59.30%030%0.303CS..EExtended strand (participates in β ladder)trans-131.3135.8174.2-177.20000110.6L603 F633 Y641L603-S626 WeakPolarHBondContact O-CA 3.32Å; S626-F633 PolarHBondContact N-O 2.85Å; S626-F633 PolarHBondContact O-N 2.83Å; S626-Y641 WeakPolarHBondContact OG-CE2 3.41Å
627V83.7Confident79.7Confident8 Ų860.2 Ų60.25%0.04829%0.294CS..EExtended strand (participates in β ladder)trans-106.8121.7173.3176.50000109.2L603 L632 L653 W779 I782L603-V627 PolarHBondContact O-N 2.63Å; V627-L632 HydrophobicContact CG2-CD1 3.37Å; V627-L653 HydrophobicContact CG1-CD1 4.47Å; V627-W779 HydrophobicContact CG2-CE3 4.38Å; V627-W779 HydrophobicContact CG2-CH2 3.82Å; V627-W779 HydrophobicContact CG2-CZ3 3.39Å; V627-I782 HydrophobicContact CG1-CG2 3.98Å; V627-I782 HydrophobicContact CG2-CG2 4.39Å
628K77.5Confident81.3Confident72 Ų7256.8 Ų56.831%0.31327%0.272SS..EExtended strand (participates in β ladder)trans-121.6113.1171.8-64.6-177.4173.7175.80108.6T630 E631 F633K628-T630 PolarHBondContact O-N 3.11Å; K628-T630 VanDerWaalsContact O-N 3.15Å; K628-E631 PolarHBondContact N-O 2.92Å; K628-E631 VanDerWaalsContact N-O 3.14Å; K628-E631 PolarHBondContact O-N 3.42Å; K628-F633 HydrophobicContact CB-CD2 4.46Å; K628-F633 HydrophobicContact CB-CE2 4.05Å
629G75.2Confident82.2Confident48 Ų4856.4 Ų56.450%0.49528%0.275SS..THydrogen-bonded Turntrans63.8-111.1-175.900000112.7
630T75.4Confident82.6Confident43 Ų4354.9 Ų54.926%0.26426%0.264SS..THydrogen-bonded Turntrans-109.74.8-179.553.60000113.8K628 L653 I789K628-T630 PolarHBondContact O-N 3.11Å; K628-T630 VanDerWaalsContact O-N 3.15Å; T630-L653 WeakPolarHBondContact O-CB 3.3Å; T630-L653 PolarHBondContact O-N 2.67Å; T630-L653 VanDerWaalsContact O-N 3.12Å; T630-I789 HydrophobicContact CG2-CD1 3.71Å
631E80.9Confident82.6Confident60 Ų6053.7 Ų53.728%0.2826%0.259SS..EExtended strand (participates in β ladder)trans-109.4133.1-176-68.1173.1-163.400110.7K628 F633 V650 Y652K628-E631 PolarHBondContact N-O 2.92Å; K628-E631 VanDerWaalsContact N-O 3.14Å; K628-E631 PolarHBondContact O-N 3.42Å; E631-F633 HydrophobicContact CB-CD2 4.38Å; E631-F633 HydrophobicContact CB-CE2 3.65Å; E631-F633 HydrophobicContact CB-CZ 3.98Å; E631-F633 WeakPolarHBondContact OE2-CZ 3.43Å; E631-V650 HydrophobicContact CB-CG1 4.47Å; E631-Y652 HydrophobicContact CG-CD1 3.73Å; E631-Y652 HydrophobicContact CG-CE1 3.67Å; E631-Y652 WeakPolarHBondContact OE1-CE1 3.3Å
632L83.9Confident82.3Confident3 Ų354.9 Ų54.92%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-99.9115.2174.3-176.375.8000108.9I625 V627 I651 L653 W779 F783I625-L632 HydrophobicContact CG2-CD1 3.25Å; I625-L632 HydrophobicContact CG2-CD2 4.45Å; I625-L632 HydrophobicContact CG2-CG 3.86Å; V627-L632 HydrophobicContact CG2-CD1 3.37Å; L632-I651 HydrophobicContact CB-CB 4.19Å; L632-I651 WeakPolarHBondContact CB-O 3.22Å; L632-I651 HydrophobicContact CD2-CB 4.37Å; L632-I651 HydrophobicContact CD2-CD1 4.08Å; L632-I651 PolarHBondContact N-O 3.37Å; L632-I651 PolarHBondContact O-N 2.84Å; L632-L653 HydrophobicContact CB-CD1 4.17Å; L632-L653 HydrophobicContact CB-CD2 3.95Å; L632-L653 HydrophobicContact CB-CG 4.05Å; L632-L653 HydrophobicContact CD2-CD2 4.29Å; L632-W779 HydrophobicContact CD1-CH2 4.39Å; L632-W779 HydrophobicContact CD1-CZ3 3.8Å; L632-F783 HydrophobicContact CD1-CE1 3.94Å; L632-F783 HydrophobicContact CD1-CZ 4.03Å; L632-F783 HydrophobicContact CD2-CE1 4.14Å; L632-F783 HydrophobicContact CD2-CZ 4.24Å
633F83.8Confident81.8Confident33 Ų3350.4 Ų50.415%0.14526%0.262CS..EExtended strand (participates in β ladder)trans-99.2126.2176.6-63.3-88.9000110.3I625 S626 K628 E631 Y635 V650I625-F633 WeakPolarHBondContact CA-O 3.45Å; S626-F633 PolarHBondContact N-O 2.85Å; S626-F633 PolarHBondContact O-N 2.83Å; K628-F633 HydrophobicContact CB-CD2 4.46Å; K628-F633 HydrophobicContact CB-CE2 4.05Å; E631-F633 HydrophobicContact CB-CD2 4.38Å; E631-F633 HydrophobicContact CB-CE2 3.65Å; E631-F633 HydrophobicContact CB-CZ 3.98Å; E631-F633 WeakPolarHBondContact OE2-CZ 3.43Å; F633-Y635 HydrophobicContact CB-CD2 4.23Å; F633-Y635 HydrophobicContact CB-CE2 3.39Å; F633-Y635 HydrophobicContact CG-CE2 4.36Å; F633-V650 HydrophobicContact CD1-CG1 4.41Å; F633-V650 HydrophobicContact CD1-CG2 3.87Å; F633-V650 HydrophobicContact CE1-CG1 4.12Å; F633-V650 HydrophobicContact CE1-CG2 3.91Å
634V84.1Confident81Confident5 Ų553.1 Ų53.13%0.0328%0.281CS..EExtended strand (participates in β ladder)trans-108.9118.2175.8-175.40000109.6I609 Y623 A648 E649I609-V634 HydrophobicContact CD1-CG1 3.72Å; I609-V634 HydrophobicContact CD1-CG2 4.31Å; Y623-V634 HydrophobicContact CD1-CG1 4.02Å; Y623-V634 HydrophobicContact CG-CG1 3.99Å; V634-A648 WeakPolarHBondContact O-CB 3.05Å; V634-A648 PolarHBondContact O-N 3.23Å; V634-E649 HydrophobicContact CB-CB 4.28Å; V634-E649 PolarHBondContact N-O 3.36Å; V634-E649 PolarHBondContact O-N 3.38Å
635Y85.2Confident80.3Confident9 Ų955.3 Ų55.34%0.03530%0.298CS..EExtended strand (participates in β ladder)trans-111.2150.2177.5-59.3-87.6000110.7Y623 Y624 F633 N637 D640 Y641Y623-Y635 WeakPolarHBondContact CD1-O 3.28Å; Y624-Y635 HydrophobicContact CD1-CD2 4.42Å; Y624-Y635 PolarHBondContact N-O 3.33Å; Y624-Y635 WeakPolarHBondContact O-CA 3.36Å; Y624-Y635 PolarHBondContact O-N 3.47Å; F633-Y635 HydrophobicContact CB-CD2 4.23Å; F633-Y635 HydrophobicContact CB-CE2 3.39Å; F633-Y635 HydrophobicContact CG-CE2 4.36Å; Y635-N637 WeakPolarHBondContact CB-O 3.45Å; Y635-D640 HydrophobicContact CD1-CB 4.1Å; Y635-Y641 HydrophobicContact CD2-CD2 4.07Å; Y635-Y641 AromaticContact CE2-CD2 3.55Å; Y635-Y641 HydrophobicContact CE2-CD2 3.55Å; Y635-Y641 HydrophobicContact CE2-CE2 4.39Å; Y635-Y641 HydrophobicContact CE2-CG 4.39Å; Y635-Y641 AromaticContact CZ-CD2 3.91Å
636K83.2Confident79.5Confident142 Ų14263.1 Ų63.162%0.61734%0.339SS*.SBendtrans-72-49.8176.6-170.5-178.8178.4-173.10110.2
637N83.1Confident78.6Confident78 Ų7864.6 Ų64.642%0.41735%0.35SS..SBendtrans-122.4164.7177.3-71-12.4000111.6Y635 D639 D640Y635-N637 WeakPolarHBondContact CB-O 3.45Å; N637-D639 VanDerWaalsContact C-N 3.29Å; N637-D640 PolarHBondContact N-OD2 3.24Å; N637-D640 PolarHBondContact O-N 3.07Å
638K84Confident77.8Confident91 Ų9167.8 Ų67.840%0.39638%0.377SS..Hα-helixtrans-70.2-28.9173.3-179.8179.8179-173.30111.6Y606 Y624 D640 Y641 L642Y606-K638 HydrophobicContact CE2-CB 4.46Å; Y606-K638 WeakPolarHBondContact OH-CB 3.24Å; Y624-K638 HydrophobicContact CD1-CB 4.47Å; Y624-K638 HydrophobicContact CD2-CB 4.12Å; Y624-K638 HydrophobicContact CD2-CG 4.45Å; Y624-K638 HydrophobicContact CE1-CG 4.25Å; Y624-K638 HydrophobicContact CE2-CB 4.24Å; Y624-K638 HydrophobicContact CE2-CD 4.21Å; Y624-K638 HydrophobicContact CE2-CG 4.07Å; Y624-K638 HydrophobicContact CG-CB 4.23Å; K638-D640 VanDerWaalsContact C-N 3.28Å; K638-D640 PolarHBondContact O-N 2.98Å; K638-Y641 WeakPolarHBondContact O-CB 3.48Å; K638-Y641 PolarHBondContact O-N 3.31Å; K638-Y641 VanDerWaalsContact O-N 3.15Å; K638-L642 HydrophobicContact CG-CD1 4.43Å; K638-L642 PolarHBondContact O-N 2.94Å; K638-L642 VanDerWaalsContact O-N 3.09Å
639D81.7Confident77.5Confident107 Ų10766.1 Ų66.157%0.57237%0.37SS*.Hα-helixtrans-61.7-39.6176.7-54.8-37.8000110.9N637 Y641 L642 S643N637-D639 VanDerWaalsContact C-N 3.29Å; D639-Y641 VanDerWaalsContact C-N 3.25Å; D639-Y641 PolarHBondContact O-N 3.47Å; D639-L642 PolarHBondContact O-N 2.74Å; D639-L642 VanDerWaalsContact O-N 3.08Å; D639-S643 PolarHBondContact O-N 2.95Å; D639-S643 PolarHBondContact O-OG 2.97Å
640D80.5Confident77.5Confident51 Ų5165 Ų6527%0.27335%0.354SS..Hα-helixtrans-61.6-33.6176.3-52.4-24.3000112.4Y635 N637 K638 S643 N644 S645Y635-D640 HydrophobicContact CD1-CB 4.1Å; N637-D640 PolarHBondContact N-OD2 3.24Å; N637-D640 PolarHBondContact O-N 3.07Å; K638-D640 VanDerWaalsContact C-N 3.28Å; K638-D640 PolarHBondContact O-N 2.98Å; D640-S643 WeakPolarHBondContact CA-OG 3.35Å; D640-S643 PolarHBondContact O-OG 3.46Å; D640-N644 PolarHBondContact O-N 2.86Å; D640-S645 PolarHBondContact O-N 2.98Å
641Y78.8Confident77.6Confident35 Ų3563 Ų6314%0.13734%0.342CS..Hα-helixtrans-70.7-41.2174.4171.7-102.7000111.5Y624 S626 Y635 K638 D639 N644Y624-Y641 HydrophobicContact CD1-CG 4.15Å; Y624-Y641 AromaticContact CE1-CD1 3.69Å; Y624-Y641 HydrophobicContact CE1-CD1 3.69Å; Y624-Y641 HydrophobicContact CE1-CD2 4.26Å; Y624-Y641 HydrophobicContact CE1-CE1 4.38Å; Y624-Y641 AromaticContact CE1-CG 3.62Å; Y624-Y641 HydrophobicContact CE1-CG 3.62Å; S626-Y641 WeakPolarHBondContact OG-CE2 3.41Å; Y635-Y641 HydrophobicContact CD2-CD2 4.07Å; Y635-Y641 AromaticContact CE2-CD2 3.55Å; Y635-Y641 HydrophobicContact CE2-CD2 3.55Å; Y635-Y641 HydrophobicContact CE2-CE2 4.39Å; Y635-Y641 HydrophobicContact CE2-CG 4.39Å; Y635-Y641 AromaticContact CZ-CD2 3.91Å; K638-Y641 WeakPolarHBondContact O-CB 3.48Å; K638-Y641 PolarHBondContact O-N 3.31Å; K638-Y641 VanDerWaalsContact O-N 3.15Å; D639-Y641 VanDerWaalsContact C-N 3.25Å; D639-Y641 PolarHBondContact O-N 3.47Å; Y641-N644 PolarHBondContact O-N 3.03Å
642L76.8Confident77.3Confident122 Ų12264 Ų6464%0.63934%0.343SS*.Hα-helixtrans-71-33.3178.6-68.1171000112.3K638 D639 N644K638-L642 HydrophobicContact CG-CD1 4.43Å; K638-L642 PolarHBondContact O-N 2.94Å; K638-L642 VanDerWaalsContact O-N 3.09Å; D639-L642 PolarHBondContact O-N 2.74Å; D639-L642 VanDerWaalsContact O-N 3.08Å; L642-N644 VanDerWaalsContact C-N 3.26Å; L642-N644 PolarHBondContact O-N 3.26Å
643S76.4Confident76.8Confident71 Ų7163.9 Ų63.950%0.49734%0.343SS..THydrogen-bonded Turntrans-832.8176.260.70000114D639 D640 S645D639-S643 PolarHBondContact O-N 2.95Å; D639-S643 PolarHBondContact O-OG 2.97Å; D640-S643 WeakPolarHBondContact CA-OG 3.35Å; D640-S643 PolarHBondContact O-OG 3.46Å; S643-S645 PolarHBondContact O-N 3.34Å; S643-S645 VanDerWaalsContact O-N 3.12Å; S643-S645 PolarHBondContact OG-OG 2.9Å
644N69.2Low75.9Confident126 Ų12663.6 Ų63.667%0.67434%0.344SS*.THydrogen-bonded Turntrans49.235-176.8-155.841.2000113.2D640 Y641 L642D640-N644 PolarHBondContact O-N 2.86Å; Y641-N644 PolarHBondContact O-N 3.03Å; L642-N644 VanDerWaalsContact C-N 3.26Å; L642-N644 PolarHBondContact O-N 3.26Å
645S72.2Confident75.1Confident56 Ų5665.3 Ų65.339%0.39236%0.363SS..  trans-77.1163.2-178.2-58.70000111.7D640 S643 S647D640-S645 PolarHBondContact O-N 2.98Å; S643-S645 PolarHBondContact O-N 3.34Å; S643-S645 VanDerWaalsContact O-N 3.12Å; S643-S645 PolarHBondContact OG-OG 2.9Å; S645-S647 PolarHBondContact O-N 3.32Å; S645-S647 VanDerWaalsContact O-N 3.07Å
646D68.5Low74.4Confident166 Ų16665.3 Ų65.389%0.88836%0.364SS*.  trans-51.8115.9-178.7-70.8-18.8000111.3
647S66.8Low74.1Confident31 Ų3164.1 Ų64.122%0.21736%0.36CS..  trans-62.4137.5176.453.70000110.3S645 E649 V650S645-S647 PolarHBondContact O-N 3.32Å; S645-S647 VanDerWaalsContact O-N 3.07Å; S647-E649 PolarHBondContact O-N 3.19Å; S647-V650 WeakPolarHBondContact OG-CG2 3.43Å
648A67.4Low73.8Confident75 Ų7561.9 Ų61.962%0.6235%0.348SS*.SBendtrans-61.8-31.5-178.800000112.4V634V634-A648 WeakPolarHBondContact O-CB 3.05Å; V634-A648 PolarHBondContact O-N 3.23Å
649E70.5Confident73.6Confident36 Ų3661.5 Ų61.517%0.16835%0.348CS..EExtended strand (participates in β ladder)trans-155132.4175.8-158.8168.5-154.400109.7K611 V634 S647 I651K611-E649 VanDerWaalsContact CE-OE2 3.22Å; K611-E649 WeakPolarHBondContact CE-OE2 3.21Å; K611-E649 IonicContact NZ-OE1 3.95Å; K611-E649 PolarHBondContact NZ-OE1 2.86Å; K611-E649 IonicContact NZ-OE2 2.82Å; K611-E649 PolarHBondContact NZ-OE2 3.3Å; V634-E649 HydrophobicContact CB-CB 4.28Å; V634-E649 PolarHBondContact N-O 3.36Å; V634-E649 PolarHBondContact O-N 3.38Å; S647-E649 PolarHBondContact O-N 3.19Å; E649-I651 HydrophobicContact CG-CD1 4.37Å; E649-I651 HydrophobicContact CG-CG1 4.1Å
650V75.8Confident73.5Confident25 Ų2557 Ų5715%0.15233%0.325CS..EExtended strand (participates in β ladder)trans-108.1122.1169.2-1750000107.7E631 F633 S647 Y652E631-V650 HydrophobicContact CB-CG1 4.47Å; F633-V650 HydrophobicContact CD1-CG1 4.41Å; F633-V650 HydrophobicContact CD1-CG2 3.87Å; F633-V650 HydrophobicContact CE1-CG1 4.12Å; F633-V650 HydrophobicContact CE1-CG2 3.91Å; S647-V650 WeakPolarHBondContact OG-CG2 3.43Å; V650-Y652 HydrophobicContact CG1-CE2 4.43Å
651I77.2Confident73.3Confident2 Ų255.9 Ų55.91%0.0132%0.319CS..EExtended strand (participates in β ladder)trans-115.2119.2179-62.3160.1000108.3L632 E649 L653 L673 V675 L766L632-I651 HydrophobicContact CB-CB 4.19Å; L632-I651 WeakPolarHBondContact CB-O 3.22Å; L632-I651 HydrophobicContact CD2-CB 4.37Å; L632-I651 HydrophobicContact CD2-CD1 4.08Å; L632-I651 PolarHBondContact N-O 3.37Å; L632-I651 PolarHBondContact O-N 2.84Å; E649-I651 HydrophobicContact CG-CD1 4.37Å; E649-I651 HydrophobicContact CG-CG1 4.1Å; I651-L653 HydrophobicContact CG2-CD2 4.41Å; I651-L653 PolarHBondContact O-N 3.41Å; I651-L673 HydrophobicContact CG2-CD2 4.42Å; I651-V675 HydrophobicContact CG2-CB 4.48Å; I651-V675 HydrophobicContact CG2-CG1 3.85Å; I651-V675 HydrophobicContact CG2-CG2 3.73Å; I651-L766 HydrophobicContact CD1-CD1 3.47Å; I651-L766 VanDerWaalsContact CD1-CD1 3.47Å
652Y73.8Confident73.2Confident81 Ų8155.3 Ų55.332%0.31832%0.318SS..EExtended strand (participates in β ladder)trans-77.7116.5171.4-67.5-89000109.4E631 V650 P654 C656 R679 N681E631-Y652 HydrophobicContact CG-CD1 3.73Å; E631-Y652 HydrophobicContact CG-CE1 3.67Å; E631-Y652 WeakPolarHBondContact OE1-CE1 3.3Å; V650-Y652 HydrophobicContact CG1-CE2 4.43Å; Y652-P654 VanDerWaalsContact C-CD 3.47Å; Y652-C656 PolarHBondContact O-SG 3.27Å; Y652-C656 VanDerWaalsContact O-SG 3.39Å; Y652-R679 WeakPolarHBondContact CD2-O 3.44Å; Y652-N681 PolarHBondContact OH-ND2 2.72Å
653L73.9Confident73Confident0 Ų051.2 Ų51.20%030%0.299CS..  trans-74.7-28.2-174-63.1173.6000116.5V627 T630 L632 I651 G655 C656 L673 F783 T786 T787V627-L653 HydrophobicContact CG1-CD1 4.47Å; T630-L653 WeakPolarHBondContact O-CB 3.3Å; T630-L653 PolarHBondContact O-N 2.67Å; T630-L653 VanDerWaalsContact O-N 3.12Å; L632-L653 HydrophobicContact CB-CD1 4.17Å; L632-L653 HydrophobicContact CB-CD2 3.95Å; L632-L653 HydrophobicContact CB-CG 4.05Å; L632-L653 HydrophobicContact CD2-CD2 4.29Å; I651-L653 HydrophobicContact CG2-CD2 4.41Å; I651-L653 PolarHBondContact O-N 3.41Å; L653-G655 PolarHBondContact O-N 3.43Å; L653-C656 WeakPolarHBondContact O-CB 3.49Å; L653-C656 PolarHBondContact O-N 3.03Å; L653-L673 HydrophobicContact CD2-CD2 4.41Å; L653-F783 HydrophobicContact CD1-CD1 3.95Å; L653-F783 HydrophobicContact CD1-CE1 3.98Å; L653-F783 HydrophobicContact CD2-CD1 3.77Å; L653-F783 HydrophobicContact CD2-CE1 3.63Å; L653-F783 HydrophobicContact CG-CD1 4.48Å; L653-F783 HydrophobicContact CG-CE1 4.47Å; L653-T786 HydrophobicContact CD1-CG2 4.12Å; L653-T786 WeakPolarHBondContact CD1-OG1 3.47Å; L653-T787 WeakPolarHBondContact O-CG2 3.36Å
654P65.5Low72.7Confident27 Ų2750.3 Ų50.318%0.17529%0.288CS..THydrogen-bonded Turntrans-56.8131.2178.1-24.733.8000110.5Y652 C656 R679Y652-P654 VanDerWaalsContact C-CD 3.47Å; P654-C656 PolarHBondContact O-N 2.74Å; P654-R679 PolarHBondContact O-NH1 3.25Å
655G66.1Low72.7Confident41 Ų4149.8 Ų49.842%0.42329%0.294SS..THydrogen-bonded Turntrans77.84.317900000116.9L653L653-G655 PolarHBondContact O-N 3.43Å
656C71.4Confident72.6Confident8 Ų850.6 Ų50.65%0.05430%0.3CS..  trans-75.6145.2168.7-65.10000110.9Y652 L653 P654 L673 T787Y652-C656 PolarHBondContact O-SG 3.27Å; Y652-C656 VanDerWaalsContact O-SG 3.39Å; L653-C656 WeakPolarHBondContact O-CB 3.49Å; L653-C656 PolarHBondContact O-N 3.03Å; P654-C656 PolarHBondContact O-N 2.74Å; C656-L673 HydrophobicContact CB-CD1 3.76Å; C656-L673 HydrophobicContact CB-CG 4.46Å; C656-T787 HydrophobicContact CB-CG2 4.13Å; C656-T787 WeakPolarHBondContact O-CG2 3.33Å
657E75.6Confident72.8Confident117 Ų11750.2 Ų50.255%0.54729%0.293SS..EExtended strand (participates in β ladder)trans-96.2139.6172.8-175.1179.4179.200109.9F674E657-F674 HydrophobicContact CB-CB 4.24Å; E657-F674 HydrophobicContact CB-CD2 4.34Å; E657-F674 HydrophobicContact CG-CD2 4.43Å; E657-F674 PolarHBondContact N-O 3.5Å; E657-F674 PolarHBondContact O-N 2.98Å
658I78.6Confident73.4Confident31 Ų3152 Ų5216%0.15930%0.297CS..EExtended strand (participates in β ladder)trans-123.7128.9-179.1-160.5161.4000111.9L671 R672 L780 F783I658-L671 HydrophobicContact CD1-CD1 4.27Å; I658-R672 WeakPolarHBondContact CA-O 3.47Å; I658-L780 HydrophobicContact CD1-CD1 4.4Å; I658-F783 HydrophobicContact CD1-CB 3.26Å; I658-F783 HydrophobicContact CD1-CD2 3.57Å; I658-F783 HydrophobicContact CD1-CG 3.62Å
659Q79.1Confident74.2Confident84 Ų8449.3 Ų49.339%0.39327%0.271SS..EExtended strand (participates in β ladder)trans-119.6125.4175.5-173.6-177.114.300110.3R672 F674Q659-R672 HydrophobicContact CB-CB 4.33Å; Q659-R672 PolarHBondContact N-O 3.42Å; Q659-R672 PolarHBondContact O-N 3.05Å; Q659-F674 HydrophobicContact CB-CE2 4.1Å
660S78.6Confident74.9Confident13 Ų1347.8 Ų47.89%0.09126%0.264CS..EExtended strand (participates in β ladder)trans-84.7129.9174.853.10000111.7Y776S660-Y776 WeakPolarHBondContact CB-OH 3.36Å
661D76.6Confident75.4Confident26 Ų2646.6 Ų46.614%0.13926%0.257CS..EExtended strand (participates in β ladder)trans-120.189.5170.4168.120.2000107.7K668 N670D661-K668 IonicContact OD1-NZ 3.61Å; D661-K668 PolarHBondContact OD1-NZ 3.02Å; D661-K668 WeakPolarHBondContact OD2-CE 3.23Å; D661-K668 IonicContact OD2-NZ 2.65Å; D661-K668 PolarHBondContact OD2-NZ 3.46Å; D661-N670 CarbonylContact C-O 3.54Å; D661-N670 HydrophobicContact CB-CB 3.98Å; D661-N670 PolarHBondContact N-O 2.86Å; D661-N670 PolarHBondContact O-N 3.19Å; D661-N670 PolarHBondContact OD2-ND2 3.37Å
662L77.1Confident75.7Confident24 Ų2449.8 Ų49.813%0.12627%0.269CS..EExtended strand (participates in β ladder)trans-110.4119.9-174.3177.767.9000110.4I664 K668 F669 Y776 I843L662-I664 HydrophobicContact CD1-CG1 4.44Å; L662-I664 HydrophobicContact CD2-CD1 4.49Å; L662-I664 HydrophobicContact CD2-CG1 4.22Å; L662-I664 HydrophobicContact CG-CG1 4.2Å; L662-K668 WeakPolarHBondContact CA-O 3.3Å; L662-F669 HydrophobicContact CD1-CD1 3.36Å; L662-F669 HydrophobicContact CD1-CE1 3.72Å; L662-Y776 HydrophobicContact CD1-CE1 4.26Å; L662-I843 HydrophobicContact CD2-CD1 4.35Å; L662-I843 HydrophobicContact CD2-CG1 4.09Å
663C72.4Confident76.1Confident35 Ų3546 Ų4624%0.23625%0.254CS..EExtended strand (participates in β ladder)trans-124.2108.9164.7-174.50000109.6S665 S666 E667 K668C663-S665 VanDerWaalsContact C-N 3.35Å; C663-S665 PolarHBondContact SG-OG 3.45Å; C663-S666 WeakPolarHBondContact CB-OG 3.32Å; C663-S666 PolarHBondContact SG-OG 2.89Å; C663-S666 VanDerWaalsContact SG-OG 3.39Å; C663-E667 PolarHBondContact O-N 3.02Å; C663-K668 HydrophobicContact CB-CB 4.1Å; C663-K668 PolarHBondContact N-O 3.08Å; C663-K668 PolarHBondContact O-N 3.15Å
664I71.3Confident76.4Confident53 Ų5347.2 Ų47.227%0.27226%0.259SS..THydrogen-bonded Turntrans-67.7-37.2-177.5-60.8167.3000110.5L662 S666 I843 L846L662-I664 HydrophobicContact CD1-CG1 4.44Å; L662-I664 HydrophobicContact CD2-CD1 4.49Å; L662-I664 HydrophobicContact CD2-CG1 4.22Å; L662-I664 HydrophobicContact CG-CG1 4.2Å; I664-S666 PolarHBondContact O-N 3.02Å; I664-I843 HydrophobicContact CD1-CG2 4.25Å; I664-L846 HydrophobicContact CD1-CB 3.77Å
665S67.9Low76.8Confident115 Ų11546 Ų4680%0.80425%0.251SS*.THydrogen-bonded Turntrans-72.1-26.6-177.660.30000113.8C663C663-S665 VanDerWaalsContact C-N 3.35Å; C663-S665 PolarHBondContact SG-OG 3.45Å
666S70.6Confident76.9Confident72 Ų7245.7 Ų45.750%0.50324%0.242SC..THydrogen-bonded Turntrans-107.712-18078.30000113.4C663 I664 K668C663-S666 WeakPolarHBondContact CB-OG 3.32Å; C663-S666 PolarHBondContact SG-OG 2.89Å; C663-S666 VanDerWaalsContact SG-OG 3.39Å; I664-S666 PolarHBondContact O-N 3.02Å; S666-K668 PolarHBondContact O-N 3.41Å; S666-K668 WeakPolarHBondContact OG-CB 3.36Å
667E73.4Confident76.4Confident158 Ų15847.3 Ų47.374%0.73825%0.251SS*.THydrogen-bonded Turntrans48.735.9-176-60.2-177.7164.700113.4C663 F669C663-E667 PolarHBondContact O-N 3.02Å; E667-F669 HydrophobicContact CB-CE2 4.07Å; E667-F669 HydrophobicContact CB-CZ 4.39Å; E667-F669 PolarHBondContact O-N 3.2Å
668K79.2Confident75.6Confident70 Ų7047 Ų4730%0.30426%0.262SS..EExtended strand (participates in β ladder)trans-97.598.5-176.9-175.3-173.6169.2-144.60108.4D661 L662 C663 S666 N670D661-K668 IonicContact OD1-NZ 3.61Å; D661-K668 PolarHBondContact OD1-NZ 3.02Å; D661-K668 WeakPolarHBondContact OD2-CE 3.23Å; D661-K668 IonicContact OD2-NZ 2.65Å; D661-K668 PolarHBondContact OD2-NZ 3.46Å; L662-K668 WeakPolarHBondContact CA-O 3.3Å; C663-K668 HydrophobicContact CB-CB 4.1Å; C663-K668 PolarHBondContact N-O 3.08Å; C663-K668 PolarHBondContact O-N 3.15Å; S666-K668 PolarHBondContact O-N 3.41Å; S666-K668 WeakPolarHBondContact OG-CB 3.36Å; K668-N670 WeakPolarHBondContact CE-ND2 3.38Å
669F84.2Confident74.4Confident17 Ų1749.8 Ų49.88%0.07527%0.271CS..EExtended strand (participates in β ladder)trans-105.379.7179-50-65.3000110.3L662 E667 R769 F770 L773 Y776L662-F669 HydrophobicContact CD1-CD1 3.36Å; L662-F669 HydrophobicContact CD1-CE1 3.72Å; E667-F669 HydrophobicContact CB-CE2 4.07Å; E667-F669 HydrophobicContact CB-CZ 4.39Å; E667-F669 PolarHBondContact O-N 3.2Å; F669-R769 WeakPolarHBondContact O-CA 3.47Å; F669-F770 HydrophobicContact CB-CB 4.18Å; F669-F770 PolarHBondContact O-N 3.38Å; F669-L773 HydrophobicContact CD1-CD1 4.05Å; F669-L773 HydrophobicContact CE1-CB 4.31Å; F669-L773 HydrophobicContact CE1-CD1 3.65Å; F669-L773 HydrophobicContact CZ-CB 4.24Å; F669-L773 HydrophobicContact CZ-CD1 4.38Å; F669-Y776 HydrophobicContact CB-CD2 3.79Å; F669-Y776 HydrophobicContact CB-CE2 4.46Å; F669-Y776 HydrophobicContact CB-CG 4.08Å
670N85Confident73.2Confident4 Ų446.6 Ų46.62%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-106.3143.2-179.9-62.5-24.6000111.8D661 K668 L768 R769D661-N670 CarbonylContact C-O 3.54Å; D661-N670 HydrophobicContact CB-CB 3.98Å; D661-N670 PolarHBondContact N-O 2.86Å; D661-N670 PolarHBondContact O-N 3.19Å; D661-N670 PolarHBondContact OD2-ND2 3.37Å; K668-N670 WeakPolarHBondContact CE-ND2 3.38Å; N670-L768 CarbonylContact C-O 3.51Å; N670-L768 VanDerWaalsContact CA-O 3.25Å; N670-L768 WeakPolarHBondContact CA-O 3.44Å; N670-R769 WeakPolarHBondContact OD1-CB 3.5Å; N670-R769 VanDerWaalsContact OD1-CG 3.3Å; N670-R769 WeakPolarHBondContact OD1-CG 3.4Å; N670-R769 PolarHBondContact OD1-NE 3.46Å
671L85Confident71.6Confident0 Ų051.5 Ų51.50%028%0.282CS..EExtended strand (participates in β ladder)trans-121.2131.4165.9-62.8179.1000108.5I658 C767 L768 F770 Y776 L780 F783I658-L671 HydrophobicContact CD1-CD1 4.27Å; L671-C767 CarbonylContact O-C 3.58Å; L671-C767 WeakPolarHBondContact O-CA 3.44Å; L671-L768 HydrophobicContact CB-CB 4.36Å; L671-L768 PolarHBondContact N-O 3.46Å; L671-L768 PolarHBondContact O-N 3.28Å; L671-F770 HydrophobicContact CB-CE2 4.29Å; L671-F770 HydrophobicContact CD1-CD2 4.45Å; L671-F770 HydrophobicContact CD1-CE2 3.58Å; L671-F770 HydrophobicContact CD1-CZ 4.17Å; L671-F770 HydrophobicContact CG-CD2 4.48Å; L671-F770 HydrophobicContact CG-CE2 3.87Å; L671-Y776 HydrophobicContact CD1-CD2 4.47Å; L671-Y776 HydrophobicContact CD1-CE2 4.3Å; L671-Y776 HydrophobicContact CD2-CD2 4.26Å; L671-Y776 HydrophobicContact CD2-CE2 3.34Å; L671-Y776 HydrophobicContact CG-CD2 4.12Å; L671-Y776 HydrophobicContact CG-CE2 3.62Å; L671-L780 HydrophobicContact CD1-CB 4.36Å; L671-L780 HydrophobicContact CD1-CD1 4.48Å; L671-L780 HydrophobicContact CD2-CD1 3.86Å; L671-F783 HydrophobicContact CD1-CD2 4.07Å; L671-F783 HydrophobicContact CD1-CE2 4.36Å
672R84.4Confident69.8Low70 Ų7056 Ų5626%0.26431%0.305SS..EExtended strand (participates in β ladder)trans-102120.8169.9-58.7-175.5-171.5-168.813.5108.2I658 Q659 F674 E765 L766I658-R672 WeakPolarHBondContact CA-O 3.47Å; Q659-R672 HydrophobicContact CB-CB 4.33Å; Q659-R672 PolarHBondContact N-O 3.42Å; Q659-R672 PolarHBondContact O-N 3.05Å; R672-F674 HydrophobicContact CB-CE2 4.22Å; R672-F674 HydrophobicContact CB-CZ 4.3Å; R672-E765 WeakPolarHBondContact CD-OE1 3.47Å; R672-E765 IonicContact NH1-OE1 2.8Å; R672-L766 WeakPolarHBondContact CA-O 3.35Å
673L83Confident67.7Low1 Ų159.3 Ų59.31%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-105.8125.1176.2-175.972.8000108.3I651 L653 C656 V675 L766I651-L673 HydrophobicContact CG2-CD2 4.42Å; L653-L673 HydrophobicContact CD2-CD2 4.41Å; C656-L673 HydrophobicContact CB-CD1 3.76Å; C656-L673 HydrophobicContact CB-CG 4.46Å; L673-V675 HydrophobicContact CD2-CG2 3.61Å; L673-V675 HydrophobicContact CG-CG2 3.73Å; L673-L766 HydrophobicContact CB-CB 4.23Å; L673-L766 HydrophobicContact CD2-CD1 4.49Å; L673-L766 PolarHBondContact N-O 2.59Å; L673-L766 PolarHBondContact O-N 2.78Å
674F80Confident65.8Low26 Ų2663.4 Ų63.411%0.11435%0.347CS..EExtended strand (participates in β ladder)trans-102.9108.5175.5-60.6-79.4000108.9E657 Q659 R672 I763 E765E657-F674 HydrophobicContact CB-CB 4.24Å; E657-F674 HydrophobicContact CB-CD2 4.34Å; E657-F674 HydrophobicContact CG-CD2 4.43Å; E657-F674 PolarHBondContact N-O 3.5Å; E657-F674 PolarHBondContact O-N 2.98Å; Q659-F674 HydrophobicContact CB-CE2 4.1Å; R672-F674 HydrophobicContact CB-CE2 4.22Å; R672-F674 HydrophobicContact CB-CZ 4.3Å; F674-I763 HydrophobicContact CB-CG2 3.96Å; F674-I763 HydrophobicContact CD1-CG2 4.3Å; F674-E765 HydrophobicContact CD1-CB 4.3Å; F674-E765 HydrophobicContact CD1-CG 4.24Å; F674-E765 HydrophobicContact CE1-CB 4.27Å; F674-E765 HydrophobicContact CE1-CG 3.85Å
675V73Confident64Low0 Ų066 Ų660%037%0.371CS..EExtended strand (participates in β ladder)trans-106.9119.2-175.3-177.20000109.6I651 L673 V677 T680 I763 N764 L766I651-V675 HydrophobicContact CG2-CB 4.48Å; I651-V675 HydrophobicContact CG2-CG1 3.85Å; I651-V675 HydrophobicContact CG2-CG2 3.73Å; L673-V675 HydrophobicContact CD2-CG2 3.61Å; L673-V675 HydrophobicContact CG-CG2 3.73Å; V675-V677 PolarHBondContact O-N 2.73Å; V675-T680 HydrophobicContact CG1-CG2 3.93Å; V675-I763 CarbonylContact O-C 3.58Å; V675-I763 WeakPolarHBondContact O-CA 3.41Å; V675-N764 HydrophobicContact CB-CB 4.49Å; V675-N764 PolarHBondContact N-O 3.12Å; V675-N764 PolarHBondContact O-N 3.24Å; V675-L766 HydrophobicContact CG2-CD1 3.8Å
676P68.7Low62.4Low36 Ų3664.4 Ų64.423%0.23436%0.364CS..EExtended strand (participates in β ladder)trans-61.4129.5171.3-19.731.5000111.2S678 R679P676-S678 PolarHBondContact O-N 2.55Å; P676-S678 VanDerWaalsContact O-N 3.14Å; P676-R679 PolarHBondContact O-N 2.73Å
677V61.4Low60.6Low42 Ų4264.5 Ų64.526%0.25537%0.369SS..G310 helixtrans-59.2-29.3-175.4172.40000112.1V675 R679 T680 L762V675-V677 PolarHBondContact O-N 2.73Å; V677-R679 PolarHBondContact O-N 2.74Å; V677-R679 VanDerWaalsContact O-N 3.12Å; V677-T680 PolarHBondContact O-N 3.32Å; V677-T680 PolarHBondContact O-OG1 2.84Å; V677-L762 WeakPolarHBondContact CB-O 3.4Å; V677-L762 WeakPolarHBondContact CG2-O 3.45Å; V677-L762 PolarHBondContact N-O 2.88Å
678S58.5Low58.7Low111 Ų11164.1 Ų64.178%0.77637%0.365SS*.G310 helixtrans-61.5-1717656.30000114.7P676P676-S678 PolarHBondContact O-N 2.55Å; P676-S678 VanDerWaalsContact O-N 3.14Å
679R52.3Low56.6Low89 Ų8964.2 Ų64.234%0.33638%0.379SS..G310 helixtrans-105.816.2-178.4-59.7-169.9179.5-170.5-1.5113.1Y652 P654 P676 V677Y652-R679 WeakPolarHBondContact CD2-O 3.44Å; P654-R679 PolarHBondContact O-NH1 3.25Å; P676-R679 PolarHBondContact O-N 2.73Å; V677-R679 PolarHBondContact O-N 2.74Å; V677-R679 VanDerWaalsContact O-N 3.12Å
680T55.2Low54.1Low17 Ų1769.2 Ų69.210%0.10441%0.413CS..BIsolated β-bridgetrans-106.7126.6173.460.90000109.6V675 V677 L682V675-T680 HydrophobicContact CG1-CG2 3.93Å; V677-T680 PolarHBondContact O-N 3.32Å; V677-T680 PolarHBondContact O-OG1 2.84Å; T680-L682 PolarHBondContact O-N 3.35Å
681N43.6Very low51.5Low116 Ų11675 Ų7562%0.6245%0.453SS*.  trans-72.675.3173.6-82.3-24.8000109.6Y652Y652-N681 PolarHBondContact OH-ND2 2.72Å
682L39.8Very low48.9Very low119 Ų11984.1 Ų84.162%0.62350%0.495SS*.  trans-80.4126.4156.2-86.7124.5000107.3T680 L684T680-L682 PolarHBondContact O-N 3.35Å; L682-L684 PolarHBondContact O-N 2.82Å
683P33.3Very low46.5Very low95 Ų9586.2 Ų86.262%0.61752%0.521SS*.  trans-70.876.4178.728.6-33.9000110.5S685 A686P683-S685 PolarHBondContact O-N 3.04Å; P683-A686 PolarHBondContact O-N 3.25Å
684L32.5Very low43.9Very low120 Ų12093.8 Ų93.863%0.62856%0.561SS**G310 helixtrans-61.7-30.8171.9-82.9162.1000111L682 A686 A687 F688L682-L684 PolarHBondContact O-N 2.82Å; L684-A686 PolarHBondContact O-N 3.39Å; L684-A687 PolarHBondContact O-N 2.94Å; L684-F688 HydrophobicContact CD2-CE2 4.27Å; L684-F688 VanDerWaalsContact O-CD2 3.28Å; L684-F688 WeakPolarHBondContact O-CD2 3.39Å
685S33.6Very low41.6Very low109 Ų10995.9 Ų95.976%0.76259%0.59SS**G310 helixtrans-60.7-25.3177.9-73.10000114.2P683 A687P683-S685 PolarHBondContact O-N 3.04Å; S685-A687 VanDerWaalsContact C-N 3.33Å
686A33.2Very low39.7Very low81 Ų81103.8 Ų103.867%0.66963%0.632SS**G310 helixtrans-77.6-19.1177.200000113.1P683 L684P683-A686 PolarHBondContact O-N 3.25Å; L684-A686 PolarHBondContact O-N 3.39Å
687A33.2Very low38.1Very low73 Ų73110.4 Ų110.460%0.60366%0.659SS**THydrogen-bonded Turntrans-83-17.6-179.500000113.5L684 S685L684-A687 PolarHBondContact O-N 2.94Å; S685-A687 VanDerWaalsContact C-N 3.33Å
688F34.5Very low36.6Very low150 Ų150116 Ų11666%0.65869%0.687SS**SBendtrans-111.13.8-171.4-68.1-69.3000115.4L684 P690L684-F688 HydrophobicContact CD2-CE2 4.27Å; L684-F688 VanDerWaalsContact O-CD2 3.28Å; L684-F688 WeakPolarHBondContact O-CD2 3.39Å; F688-P690 VanDerWaalsContact O-CD 3.3Å; F688-P690 WeakPolarHBondContact O-CD 3.47Å
689A33.6Very low35.4Very low73 Ų73118.2 Ų118.260%0.60369%0.69SS**  trans-78.1119.5177.600000111.4C691A689-C691 PolarHBondContact O-N 3.45Å
690P33.5Very low34.5Very low121 Ų121121.1 Ų121.179%0.78671%0.712SS**  trans-77.4105.5173.929.8-29.7000109.7F688 Q692F688-P690 VanDerWaalsContact O-CD 3.3Å; F688-P690 WeakPolarHBondContact O-CD 3.47Å; P690-Q692 PolarHBondContact O-N 2.87Å
691C29.9Very low33.5Very low126 Ų126128.7 Ų128.785%0.85175%0.747SS**  trans-70.2115.7167-84.70000109.7A689 S693A689-C691 PolarHBondContact O-N 3.45Å; C691-S693 PolarHBondContact O-N 3.46Å
692Q30.5Very low33.2Very low191 Ų191129.6 Ų129.689%0.89375%0.751SS**  trans-66115162.8-66.1173.9-2.500108.4P690P690-Q692 PolarHBondContact O-N 2.87Å
693S32.9Very low33.4Very low114 Ų114127.2 Ų127.280%0.79774%0.743SS**  trans-93.4106.9174.456.30000109.9C691C691-S693 PolarHBondContact O-N 3.46Å
694N29.4Very low34Very low161 Ų161127.9 Ų127.986%0.86175%0.745SS**  trans-116121.6159.9-84.4-13.2000108.7
695G31.6Very low34.2Very low69 Ų69127.5 Ų127.571%0.71175%0.748SS**  trans79.297.714400000120
696L33.4Very low34.4Very low167 Ų167124.7 Ų124.787%0.87474%0.736SS**  trans75.7137.2130.7-63167.4000122
697Q33.5Very low34.8Very low175 Ų175122.8 Ų122.882%0.81872%0.718SS**  trans81.9101.1155.5-84.2166.5-14.600120.2
698L30.3Very low35.2Very low158 Ų158125.3 Ų125.383%0.82772%0.715SS**  trans4.9117.8130.9-65.1159.6000115.4
699D33.9Very low35.3Very low158 Ų158123.1 Ų123.185%0.84571%0.71SS**  -171.7146.4112.1-84.2-22.3000110.6
700D32.2Very low35.5Very low150 Ų150127.6 Ų127.680%0.80272%0.716SS**  trans-59.6119.9-174.6-71.8-56.7000113.3
701E35Very low35.8Very low177 Ų177130.7 Ų130.783%0.82771%0.712SS**  trans-165126.4151.3-83.2-45.314400110.8
702D36.6Very low36.2Very low135 Ų135133.8 Ų133.872%0.72271%0.706SS**  trans28121.2168.5-76.2-29.4000123.1T704D702-T704 PolarHBondContact O-N 2.79Å
703P44.8Very low36.6Very low69 Ų69127 Ų12745%0.44868%0.682SS.*  trans-73.699.9172.330-31.5000111.5S707P703-S707 WeakPolarHBondContact CB-OG 3.46Å
704T44.9Very low36.9Very low108 Ų108125.8 Ų125.866%0.66367%0.674SS**  trans-48.1150.1169.755.30000112.7D702 G706 S707D702-T704 PolarHBondContact O-N 2.79Å; T704-G706 PolarHBondContact O-N 3.1Å; T704-S707 PolarHBondContact O-N 3.47Å; T704-S707 PolarHBondContact O-OG 3.18Å
705V38.2Very low37.4Very low112 Ų112125 Ų12568%0.67967%0.669SS**Hα-helixtrans-49.5-29.9-174.1176.10000113.5S707 K708 L709V705-S707 PolarHBondContact O-N 2.89Å; V705-K708 PolarHBondContact O-N 3.19Å; V705-L709 PolarHBondContact O-N 2.59Å
706G36.3Very low37.7Very low51 Ų51127.5 Ų127.553%0.52667%0.665SS.*Hα-helixtrans-61.7-38.4174.700000114.1T704 L709 K710T704-G706 PolarHBondContact O-N 3.1Å; G706-L709 PolarHBondContact O-N 3.12Å; G706-K710 PolarHBondContact O-N 3.48Å
707S42.1Very low37.8Very low41 Ų41122.6 Ų122.629%0.28765%0.645SS.*Hα-helixtrans-71-34.7175.9690000112.3P703 T704 V705 L709 K710 R711P703-S707 WeakPolarHBondContact CB-OG 3.46Å; T704-S707 PolarHBondContact O-N 3.47Å; T704-S707 PolarHBondContact O-OG 3.18Å; V705-S707 PolarHBondContact O-N 2.89Å; S707-L709 VanDerWaalsContact C-N 3.34Å; S707-K710 PolarHBondContact O-N 2.8Å; S707-R711 PolarHBondContact O-N 2.85Å; S707-R711 VanDerWaalsContact O-N 3.16Å
708K41.3Very low37.7Very low126 Ų126120.5 Ų120.555%0.54864%0.639SS.*Hα-helixtrans-67.3-35171.6-69.1178.5-179.1168.30111.5V705 R712V705-K708 PolarHBondContact O-N 3.19Å; K708-R712 PolarHBondContact O-N 2.98Å
709L37.6Very low38.2Very low103 Ų103118 Ų11854%0.53963%0.63SS.*Hα-helixtrans-72-37.3175.7-139.481.3000111.8V705 G706 S707 R712 A713V705-L709 PolarHBondContact O-N 2.59Å; G706-L709 PolarHBondContact O-N 3.12Å; S707-L709 VanDerWaalsContact C-N 3.34Å; L709-R712 CarbonylContact O-C 3.58Å; L709-R712 PolarHBondContact O-N 3.09Å; L709-R712 VanDerWaalsContact O-N 3.09Å; L709-A713 WeakPolarHBondContact O-CB 2.96Å; L709-A713 PolarHBondContact O-N 3.4Å
710K37.6Very low38.4Very low168 Ų168113.8 Ų113.873%0.7361%0.613SS**Hα-helixtrans-64.9-38.4176.1-154.2170.4-175.4174.90112.5G706 S707 R712 A713 S714G706-K710 PolarHBondContact O-N 3.48Å; S707-K710 PolarHBondContact O-N 2.8Å; K710-R712 VanDerWaalsContact C-N 3.3Å; K710-R712 PolarHBondContact O-N 2.89Å; K710-A713 PolarHBondContact O-N 3.02Å; K710-S714 PolarHBondContact O-N 3.24Å
711R40.3Very low38.5Very low185 Ų185111.1 Ų111.170%0.69860%0.598SS**Hα-helixtrans-68-24.9170.6-79.1-176.1-177.51472.1113.8S707 S714S707-R711 PolarHBondContact O-N 2.85Å; S707-R711 VanDerWaalsContact O-N 3.16Å; R711-S714 PolarHBondContact O-OG 3.38Å
712R39Very low38.7Very low191 Ų191105.7 Ų105.772%0.72158%0.58SS**Hα-helixtrans-83.9-34173.7-79.1-179.2159.4-174.6-3.8112.4K708 L709 K710 S714 L715K708-R712 PolarHBondContact O-N 2.98Å; L709-R712 CarbonylContact O-C 3.58Å; L709-R712 PolarHBondContact O-N 3.09Å; L709-R712 VanDerWaalsContact O-N 3.09Å; K710-R712 VanDerWaalsContact C-N 3.3Å; K710-R712 PolarHBondContact O-N 2.89Å; R712-S714 VanDerWaalsContact C-N 3.35Å; R712-L715 PolarHBondContact O-N 3.13Å
713A37.9Very low38.7Very low49 Ų49105.8 Ų105.841%0.40558%0.575SS.*Hα-helixtrans-69.1-31.617400000112.1L709 K710 L715 L716L709-A713 WeakPolarHBondContact O-CB 2.96Å; L709-A713 PolarHBondContact O-N 3.4Å; K710-A713 PolarHBondContact O-N 3.02Å; A713-L715 PolarHBondContact O-N 2.96Å; A713-L716 CarbonylContact O-C 3.29Å; A713-L716 PolarHBondContact O-N 3.14Å; A713-L716 VanDerWaalsContact O-N 3.1Å; A713-L716 VanDerWaalsContact O-O 3.07Å
714S39.4Very low38.2Very low88 Ų88106.7 Ų106.762%0.61558%0.576SS**THydrogen-bonded Turntrans-69.8-15.7173.778.70000114K710 R711 R712K710-S714 PolarHBondContact O-N 3.24Å; R711-S714 PolarHBondContact O-OG 3.38Å; R712-S714 VanDerWaalsContact C-N 3.35Å
715L39.3Very low37.7Very low146 Ų146104.3 Ų104.376%0.76456%0.564SS**THydrogen-bonded Turntrans-84.8-11.4172.3-68.2173.7000112.7R712 A713 S717R712-L715 PolarHBondContact O-N 3.13Å; A713-L715 PolarHBondContact O-N 2.96Å; L715-S717 PolarHBondContact O-N 3.05Å
716L38Very low37.5Very low121 Ų121105.6 Ų105.663%0.63457%0.567SS**SBendtrans-89.987.5160-67.4169000106.2A713 L718A713-L716 CarbonylContact O-C 3.29Å; A713-L716 PolarHBondContact O-N 3.14Å; A713-L716 VanDerWaalsContact O-N 3.1Å; A713-L716 VanDerWaalsContact O-O 3.07Å; L716-L718 PolarHBondContact O-N 3.36Å
717S35.1Very low37.4Very low63 Ų63109.1 Ų109.144%0.44158%0.578SS.*  trans-51.4113.6177.957.30000109.2L715 T719 S720L715-S717 PolarHBondContact O-N 3.05Å; S717-T719 WeakPolarHBondContact CB-OG1 3.41Å; S717-T719 PolarHBondContact O-N 3.27Å; S717-T719 PolarHBondContact OG-OG1 3.08Å; S717-S720 PolarHBondContact O-N 3.27Å; S717-S720 PolarHBondContact O-OG 3.06Å
718L31.5Very low37Very low132 Ų132112.5 Ų112.569%0.69159%0.592SS**THydrogen-bonded Turntrans-59.83.9178-81.9162.7000113.6L716 L721L716-L718 PolarHBondContact O-N 3.36Å; L718-L721 HydrophobicContact CD2-CD1 4.28Å
719T41.4Very low36.4Very low105 Ų105109.7 Ų109.764%0.64460%0.599SS**THydrogen-bonded Turntrans-79.5-14.1164.6470000113.8S717 S722S717-T719 WeakPolarHBondContact CB-OG1 3.41Å; S717-T719 PolarHBondContact O-N 3.27Å; S717-T719 PolarHBondContact OG-OG1 3.08Å; T719-S722 PolarHBondContact O-OG 3.35Å
720S37.4Very low36.1Very low69 Ų69110.8 Ų110.848%0.48360%0.604SS.*SBendtrans-90.1-11.4178.858.20000114.3S717S717-S720 PolarHBondContact O-N 3.27Å; S717-S720 PolarHBondContact O-OG 3.06Å
721L34.5Very low35.7Very low94 Ų94108 Ų10849%0.49261%0.605SS.*SBendtrans-105.2-10.7179.5-65.7172.6000113.3L718 H723 L724L718-L721 HydrophobicContact CD2-CD1 4.28Å; L721-H723 VanDerWaalsContact C-N 3.26Å; L721-H723 PolarHBondContact O-N 2.95Å; L721-L724 HydrophobicContact CD2-CD1 3.53Å; L721-L724 PolarHBondContact O-N 3.02Å
722S39Very low35.2Very low63 Ų63104.8 Ų104.844%0.44161%0.612SS.*Hα-helixtrans-64-31.8177.756.70000112.3T719 L724 S725T719-S722 PolarHBondContact O-OG 3.35Å; S722-L724 VanDerWaalsContact C-N 3.27Å; S722-L724 PolarHBondContact O-N 3.36Å; S722-S725 PolarHBondContact O-N 3.24Å; S722-S725 PolarHBondContact O-OG 3.06Å
723H37.3Very low34.6Very low137 Ų137101.3 Ų101.363%0.63462%0.616SS**Hα-helixtrans-70.5-17.7177.3-73.8-73.4000114.3L721 S725L721-H723 VanDerWaalsContact C-N 3.26Å; L721-H723 PolarHBondContact O-N 2.95Å; H723-S725 VanDerWaalsContact C-N 3.3Å
724L33.5Very low34.3Very low89 Ų89104.1 Ų104.147%0.46663%0.633SS.*Hα-helixtrans-72.1-25.8174.3-72.1169.3000112.1L721 S722 N726 V727 L728L721-L724 HydrophobicContact CD2-CD1 3.53Å; L721-L724 PolarHBondContact O-N 3.02Å; S722-L724 VanDerWaalsContact C-N 3.27Å; S722-L724 PolarHBondContact O-N 3.36Å; L724-N726 VanDerWaalsContact C-N 3.34Å; L724-N726 PolarHBondContact O-N 2.85Å; L724-V727 PolarHBondContact O-N 3.43Å; L724-L728 HydrophobicContact CB-CD1 4.35Å; L724-L728 VanDerWaalsContact O-CB 3.31Å; L724-L728 WeakPolarHBondContact O-CB 3.48Å; L724-L728 PolarHBondContact O-N 2.69Å
725S34.6Very low33.8Very low58 Ų58104.1 Ų104.141%0.40663%0.633SS.*Hα-helixtrans-66.8-34.6177.169.90000112.9S722 H723 G729S722-S725 PolarHBondContact O-N 3.24Å; S722-S725 PolarHBondContact O-OG 3.06Å; H723-S725 VanDerWaalsContact C-N 3.3Å; S725-G729 PolarHBondContact O-N 3.31Å
726N34.4Very low33.4Very low138 Ų138103.8 Ų103.874%0.73863%0.632SS**Hα-helixtrans-78.8-22.8177.6-78.43.2000113.4L724L724-N726 VanDerWaalsContact C-N 3.34Å; L724-N726 PolarHBondContact O-N 2.85Å
727V35.4Very low33.1Very low126 Ų126105.8 Ų105.876%0.76464%0.643SS**Hα-helixtrans-88.2-25.1176177.40000111.6L724L724-V727 PolarHBondContact O-N 3.43Å
728L32.4Very low32.8Very low112 Ų112106.5 Ų106.559%0.58666%0.661SS**Hα-helixtrans-96.2-3.1179-77.4156.6000114.6L724 I730L724-L728 HydrophobicContact CB-CD1 4.35Å; L724-L728 VanDerWaalsContact O-CB 3.31Å; L724-L728 WeakPolarHBondContact O-CB 3.48Å; L724-L728 PolarHBondContact O-N 2.69Å; L728-I730 HydrophobicContact CB-CD1 4.25Å; L728-I730 HydrophobicContact CB-CG1 4.15Å; L728-I730 WeakPolarHBondContact O-CG1 3.38Å; L728-I730 PolarHBondContact O-N 2.94Å; L728-I730 VanDerWaalsContact O-N 3.1Å
729G28.7Very low32.9Very low66 Ų66104.6 Ų104.668%0.6866%0.664SS**THydrogen-bonded Turntrans63.616.417500000115S725 S731S725-G729 PolarHBondContact O-N 3.31Å; G729-S731 PolarHBondContact O-N 3.37Å
730I31Very low32.5Very low127 Ų127107.4 Ų107.465%0.65167%0.67SS**  trans-93.384.1-179.5-47.2176.7000108.1L728L728-I730 HydrophobicContact CB-CD1 4.25Å; L728-I730 HydrophobicContact CB-CG1 4.15Å; L728-I730 WeakPolarHBondContact O-CG1 3.38Å; L728-I730 PolarHBondContact O-N 2.94Å; L728-I730 VanDerWaalsContact O-N 3.1Å
731S28.9Very low32.1Very low108 Ų108111.1 Ų111.176%0.75568%0.684SS**  trans-94.8112.6163.953.50000109G729 S733G729-S731 PolarHBondContact O-N 3.37Å; S731-S733 PolarHBondContact O-N 2.9Å
732S29.9Very low32Very low119 Ų119110 Ų11083%0.83270%0.695SS**  trans-77.997169.754.40000109S734S732-S734 PolarHBondContact O-N 3.17Å
733S27.8Very low31.5Very low117 Ų117113.2 Ų113.282%0.81872%0.715SS**  trans-75.7115.7172.356.10000110.9S731S731-S733 PolarHBondContact O-N 2.9Å
734S30.6Very low31.1Very low109 Ų109114.3 Ų114.376%0.76272%0.724SS**  trans-111.4105.2159.9-176.40000109.1S732S732-S734 PolarHBondContact O-N 3.17Å
735S29.4Very low30.8Very low87 Ų87117.4 Ų117.461%0.60874%0.741SS**  trans46.8103.1141.665.10000119
736N30.6Very low30.5Very low140 Ų140122.3 Ų122.375%0.74976%0.761SS**  -179119.5103.4-91-17.4000112.7
737N31.1Very low30Very low163 Ų163121.3 Ų121.387%0.87276%0.764SS**  trans53.4111.9145.6-60.7-18.1000119.9
738G30.4Very low29.8Very low78 Ų78118 Ų11880%0.80476%0.756SS**  trans155.952.6157.600000117.6
739A32.7Very low29.6Very low92 Ų92121.1 Ų121.176%0.7677%0.772SS**  trans45.2121144.400000121.8
740Q32.8Very low29.7Very low163 Ų163121.2 Ų121.276%0.76277%0.773SS**  trans100.1102.1137.8-57.1-126.5-6.200120.2
741N30.2Very low29.7Very low147 Ų147119.1 Ų119.179%0.78677%0.774SS**  104109.6128.1-59-16.7000120.5
742G31.2Very low29.7Very low70 Ų70121.9 Ų121.972%0.72278%0.779SS**  trans123.7106.4142.300000116.7
743P28.7Very low29.9Very low132 Ų132121.6 Ų121.686%0.85777%0.773SS**  trans-88.1136.2176.834.4-28.8000111.4
744I28.6Very low30Very low160 Ų160117.2 Ų117.282%0.82175%0.747SS**  trans-125.7120.9170.1-59.3177.3000109.3
745N26.6Very low30Very low153 Ų153116.3 Ų116.382%0.81874%0.74SS**  trans-58.4131.3179.2-72-33.1000112.9
746I28.5Very low30.1Very low161 Ų161115.5 Ų115.583%0.82673%0.734SS**  trans-11489.1169.7-54.8175.7000109.1
747S25.2Very low30Very low117 Ų117110.1 Ų110.182%0.81871%0.71SS**  trans-87.7102.9163.554.80000109
748G30.4Very low30Very low57 Ų57104.9 Ų104.959%0.58868%0.684SS**  trans-164.218.1-176.500000117.3G750G748-G750 PolarHBondContact O-N 3.34Å
749I28.4Very low30.1Very low178 Ų178108.8 Ų108.891%0.91368%0.683SS**THydrogen-bonded Turntrans-79.65.3-173.1-64.8170.8000113.3
750G30.8Very low30.3Very low68 Ų68108 Ų10870%0.70167%0.669SS**THydrogen-bonded Turntrans-99.7-1.9-172.400000117.9G748G748-G750 PolarHBondContact O-N 3.34Å
751A31.2Very low30.8Very low83 Ų83102.1 Ų102.169%0.68665%0.652SS**  trans-107.87.5-157.500000117.3T753A751-T753 PolarHBondContact O-N 3.39Å
752L29.5Very low31.8Very low165 Ų16599.8 Ų99.886%0.86464%0.638SS**  trans-9958.9177.4-65.4176.3000111.7
753T32.8Very low32.9Very low113 Ų11398.4 Ų98.469%0.69361%0.614SS**  trans-110118.8167.455.90000108.9A751A751-T753 PolarHBondContact O-N 3.39Å
754G30.6Very low34.7Very low26 Ų2694.9 Ų94.927%0.26859%0.588SS.*SBendtrans98.54145.600000120.4F280F280-G754 WeakPolarHBondContact CD2-O 3.47Å; F280-G754 VanDerWaalsContact CE1-C 3.43Å; F280-G754 WeakPolarHBondContact CE1-O 3.47Å; F280-G754 VanDerWaalsContact CE2-CA 3.43Å; F280-G754 WeakPolarHBondContact CE2-O 3.33Å; F280-G754 VanDerWaalsContact CZ-CA 3.4Å; F280-G754 WeakPolarHBondContact CZ-O 3.4Å
755S29.5Very low36.9Very low89 Ų8989.8 Ų89.862%0.62256%0.561SS**SBendtrans-146-25.3174.7-53.80000116.9
756S31.5Very low39.4Very low70 Ų7082.8 Ų82.849%0.4952%0.523SS..SBendtrans-95.3-21-176.8-174.20000114.2T758 M759 T760S756-T758 PolarHBondContact O-N 3.34Å; S756-M759 PolarHBondContact O-N 3.18Å; S756-T760 WeakPolarHBondContact O-CG2 3.31Å; S756-T760 PolarHBondContact O-N 3.08Å; S756-T760 PolarHBondContact O-OG1 3.48Å
757A29.1Very low42Very low28 Ų2875.6 Ų75.623%0.23149%0.487CS..THydrogen-bonded Turntrans-74.2-26-167.600000114.8T760 L762 I763A757-T760 WeakPolarHBondContact CA-OG1 3.46Å; A757-T760 PolarHBondContact O-OG1 3.16Å; A757-L762 HydrophobicContact CB-CB 4.1Å; A757-L762 PolarHBondContact O-N 3.38Å; A757-I763 HydrophobicContact CB-CD1 3.57Å; A757-I763 HydrophobicContact CB-CG1 3.85Å; A757-I763 PolarHBondContact O-N 2.96Å
758T31.6Very low44.8Very low53 Ų5370.2 Ų70.233%0.32545%0.449SS..THydrogen-bonded Turntrans-76.6-34.9176.247.90000112.1F280 S756 I763F280-T758 HydrophobicContact CD1-CG2 4.15Å; F280-T758 HydrophobicContact CE1-CG2 3.88Å; F280-T758 WeakPolarHBondContact CE1-OG1 3.48Å; F280-T758 HydrophobicContact CZ-CG2 4.34Å; S756-T758 PolarHBondContact O-N 3.34Å; T758-I763 HydrophobicContact CG2-CD1 3.57Å
759M32.2Very low47.5Very low159 Ų15971.6 Ų71.678%0.78344%0.437SS*.THydrogen-bonded Turntrans-78.6-20.5177.8-70-142.773.800113.6S756S756-M759 PolarHBondContact O-N 3.18Å
760T36.6Very low50.2Low77 Ų7763.6 Ų63.647%0.47240%0.395SS..THydrogen-bonded Turntrans-96.90.8-177.848.30000114.3S756 A757 L762S756-T760 WeakPolarHBondContact O-CG2 3.31Å; S756-T760 PolarHBondContact O-N 3.08Å; S756-T760 PolarHBondContact O-OG1 3.48Å; A757-T760 WeakPolarHBondContact CA-OG1 3.46Å; A757-T760 PolarHBondContact O-OG1 3.16Å; T760-L762 PolarHBondContact O-N 2.9Å; T760-L762 WeakPolarHBondContact OG1-CD1 3.23Å; T760-L762 WeakPolarHBondContact OG1-CG 3.28Å
761G44.4Very low52.7Low39 Ų3964.6 Ų64.640%0.40239%0.392SS..THydrogen-bonded Turntrans71.120.4-17600000113.7I763G761-I763 VanDerWaalsContact C-N 3.35Å
762L49.5Very low55.2Low97 Ų9764.5 Ų64.551%0.50838%0.38SS..  trans-90.55.9179.3-64177.3000113.2V677 A757 T760V677-L762 WeakPolarHBondContact CB-O 3.4Å; V677-L762 WeakPolarHBondContact CG2-O 3.45Å; V677-L762 PolarHBondContact N-O 2.88Å; A757-L762 HydrophobicContact CB-CB 4.1Å; A757-L762 PolarHBondContact O-N 3.38Å; T760-L762 PolarHBondContact O-N 2.9Å; T760-L762 WeakPolarHBondContact OG1-CD1 3.23Å; T760-L762 WeakPolarHBondContact OG1-CG 3.28Å
763I55.2Low57.8Low42 Ų4259.6 Ų59.622%0.21535%0.354CS..EExtended strand (participates in β ladder)trans-126.5128.5173.5-65.3164.9000109.2F674 V675 A757 T758 G761F674-I763 HydrophobicContact CB-CG2 3.96Å; F674-I763 HydrophobicContact CD1-CG2 4.3Å; V675-I763 CarbonylContact O-C 3.58Å; V675-I763 WeakPolarHBondContact O-CA 3.41Å; A757-I763 HydrophobicContact CB-CD1 3.57Å; A757-I763 HydrophobicContact CB-CG1 3.85Å; A757-I763 PolarHBondContact O-N 2.96Å; T758-I763 HydrophobicContact CG2-CD1 3.57Å; G761-I763 VanDerWaalsContact C-N 3.35Å
764N66.8Low60.3Low57 Ų5757.9 Ų57.931%0.30534%0.344SS..EExtended strand (participates in β ladder)trans-91.2119.9170.2-73.5-19.4000109.3V675V675-N764 HydrophobicContact CB-CB 4.49Å; V675-N764 PolarHBondContact N-O 3.12Å; V675-N764 PolarHBondContact O-N 3.24Å
765E73.9Confident62.9Low54 Ų5458.7 Ų58.725%0.25234%0.342SS..EExtended strand (participates in β ladder)trans-84.6129.2168.4-175.2-174.5173.800109.5P612 R672 F674P612-E765 WeakPolarHBondContact CD-O 3.41Å; P612-E765 HydrophobicContact CG-CB 3.88Å; P612-E765 HydrophobicContact CG-CG 4.1Å; R672-E765 WeakPolarHBondContact CD-OE1 3.47Å; R672-E765 IonicContact NH1-OE1 2.8Å; F674-E765 HydrophobicContact CD1-CB 4.3Å; F674-E765 HydrophobicContact CD1-CG 4.24Å; F674-E765 HydrophobicContact CE1-CB 4.27Å; F674-E765 HydrophobicContact CE1-CG 3.85Å
766L79.3Confident65.7Low5 Ų554.5 Ų54.53%0.02631%0.312CS..EExtended strand (participates in β ladder)trans-123.2114.5175.6-81.2150.5000108.9I609 K611 I651 R672 L673 V675I609-L766 HydrophobicContact CG2-CD2 3.64Å; K611-L766 HydrophobicContact CD-CD2 4.45Å; K611-L766 HydrophobicContact CG-CD2 3.89Å; I651-L766 HydrophobicContact CD1-CD1 3.47Å; I651-L766 VanDerWaalsContact CD1-CD1 3.47Å; R672-L766 WeakPolarHBondContact CA-O 3.35Å; L673-L766 HydrophobicContact CB-CB 4.23Å; L673-L766 HydrophobicContact CD2-CD1 4.49Å; L673-L766 PolarHBondContact N-O 2.59Å; L673-L766 PolarHBondContact O-N 2.78Å; V675-L766 HydrophobicContact CG2-CD1 3.8Å
767C82.9Confident68.2Low10 Ų1051.6 Ų51.67%0.06829%0.291CS..EExtended strand (participates in β ladder)trans-95.6111.6174.6-173.60000109.7I609 C610 L671I609-C767 CarbonylContact C-O 3.39Å; I609-C767 WeakPolarHBondContact CA-O 3.5Å; C610-C767 HydrophobicContact CB-CB 4.29Å; C610-C767 PolarHBondContact N-O 3.21Å; C610-C767 PolarHBondContact O-N 3.5Å; L671-C767 CarbonylContact O-C 3.58Å; L671-C767 WeakPolarHBondContact O-CA 3.44Å
768L85.5Confident71Confident4 Ų451.7 Ų51.72%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-94.3130.6174.9-56.3176000109.4V607 I609 I625 N670 L671 F770 F783V607-L768 HydrophobicContact CG1-CB 3.99Å; V607-L768 HydrophobicContact CG1-CD2 4.23Å; I609-L768 HydrophobicContact CB-CD2 4.33Å; I609-L768 HydrophobicContact CD1-CD2 4.1Å; I609-L768 HydrophobicContact CG1-CD2 3.71Å; I609-L768 HydrophobicContact CG2-CD2 4.11Å; I625-L768 HydrophobicContact CD1-CD2 3.93Å; N670-L768 CarbonylContact C-O 3.51Å; N670-L768 VanDerWaalsContact CA-O 3.25Å; N670-L768 WeakPolarHBondContact CA-O 3.44Å; L671-L768 HydrophobicContact CB-CB 4.36Å; L671-L768 PolarHBondContact N-O 3.46Å; L671-L768 PolarHBondContact O-N 3.28Å; L768-F770 HydrophobicContact CB-CE2 3.86Å; L768-F770 HydrophobicContact CB-CZ 4.12Å; L768-F770 HydrophobicContact CD1-CZ 4.36Å; L768-F783 HydrophobicContact CD1-CE2 3.65Å; L768-F783 HydrophobicContact CD1-CZ 3.8Å
769R85.7Confident73.6Confident86 Ų8649.2 Ų49.233%0.32527%0.273SS..EExtended strand (participates in β ladder)trans-120.3123.7174.8177.6177.2-66.6174.32.7110.7V607 K608 F620 F669 N670V607-R769 WeakPolarHBondContact CG1-O 3.12Å; K608-R769 HydrophobicContact CB-CB 4.11Å; K608-R769 PolarHBondContact N-O 2.96Å; K608-R769 VanDerWaalsContact N-O 3.15Å; K608-R769 PolarHBondContact O-N 3.43Å; F620-R769 HydrophobicContact CD1-CB 4.29Å; F620-R769 HydrophobicContact CE1-CB 4.08Å; F669-R769 WeakPolarHBondContact O-CA 3.47Å; N670-R769 WeakPolarHBondContact OD1-CB 3.5Å; N670-R769 VanDerWaalsContact OD1-CG 3.3Å; N670-R769 WeakPolarHBondContact OD1-CG 3.4Å; N670-R769 PolarHBondContact OD1-NE 3.46Å
770F86Confident76.2Confident10 Ų1041.9 Ų41.94%0.04424%0.236CC..EExtended strand (participates in β ladder)trans-99.7151.3179.2-59.1-86.5000110.7V607 F669 L671 L768 Y776 W779V607-F770 HydrophobicContact CB-CE1 4.38Å; V607-F770 HydrophobicContact CG1-CD1 4.21Å; V607-F770 HydrophobicContact CG1-CE1 3.89Å; V607-F770 HydrophobicContact CG1-CZ 4.09Å; V607-F770 HydrophobicContact CG2-CD1 3.91Å; V607-F770 HydrophobicContact CG2-CE1 3.48Å; V607-F770 VanDerWaalsContact CG2-CE1 3.48Å; V607-F770 HydrophobicContact CG2-CZ 4.32Å; F669-F770 HydrophobicContact CB-CB 4.18Å; F669-F770 PolarHBondContact O-N 3.38Å; L671-F770 HydrophobicContact CB-CE2 4.29Å; L671-F770 HydrophobicContact CD1-CD2 4.45Å; L671-F770 HydrophobicContact CD1-CE2 3.58Å; L671-F770 HydrophobicContact CD1-CZ 4.17Å; L671-F770 HydrophobicContact CG-CD2 4.48Å; L671-F770 HydrophobicContact CG-CE2 3.87Å; L768-F770 HydrophobicContact CB-CE2 3.86Å; L768-F770 HydrophobicContact CB-CZ 4.12Å; L768-F770 HydrophobicContact CD1-CZ 4.36Å; F770-Y776 AromaticContact CD2-CD2 3.88Å; F770-Y776 HydrophobicContact CD2-CD2 3.88Å; F770-W779 AromaticContact CD1-CD1 3.78Å; F770-W779 HydrophobicContact CD1-CG 4.25Å; F770-W779 HydrophobicContact CE1-CB 3.74Å; F770-W779 AromaticContact CE1-CD1 3.22Å; F770-W779 AromaticContact CE1-CD2 3.93Å; F770-W779 HydrophobicContact CE1-CD2 3.93Å; F770-W779 AromaticContact CE1-CG 3.34Å; F770-W779 HydrophobicContact CE1-CG 3.34Å; F770-W779 AromaticContact CE1-NE1 3.76Å; F770-W779 HydrophobicContact CE2-CB 4.41Å; F770-W779 HydrophobicContact CZ-CB 3.63Å; F770-W779 HydrophobicContact CZ-CD2 4.23Å; F770-W779 AromaticContact CZ-CG 3.68Å; F770-W779 HydrophobicContact CZ-CG 3.68Å
771S83.8Confident78.4Confident90 Ų9038.2 Ų38.263%0.62921%0.214SC*.SBendtrans-90.8-33.3176.549.60000113
772N83.6Confident80.3Confident80 Ų8036.6 Ų36.643%0.42820%0.196SC..  trans-111143.8-175.5-57.3-30.9000110.7T774 D775 Y776N772-T774 VanDerWaalsContact C-N 3.34Å; N772-D775 HydrophobicContact CB-CB 4.23Å; N772-D775 WeakPolarHBondContact CB-OD2 3.47Å; N772-D775 PolarHBondContact ND2-OD2 3.04Å; N772-D775 PolarHBondContact O-N 2.95Å; N772-Y776 PolarHBondContact O-N 3.23Å; N772-Y776 VanDerWaalsContact O-N 3.08Å
773L84.4Confident82Confident63 Ų6332 Ų3233%0.3317%0.172SC..Hα-helixtrans-64.3-38.2175.3-178.963.7000112.2F669 Y776 I777 I843F669-L773 HydrophobicContact CD1-CD1 4.05Å; F669-L773 HydrophobicContact CE1-CB 4.31Å; F669-L773 HydrophobicContact CE1-CD1 3.65Å; F669-L773 HydrophobicContact CZ-CB 4.24Å; F669-L773 HydrophobicContact CZ-CD1 4.38Å; L773-Y776 HydrophobicContact CD1-CD1 4.49Å; L773-Y776 WeakPolarHBondContact O-CB 3.34Å; L773-Y776 PolarHBondContact O-N 3.32Å; L773-I777 HydrophobicContact CD1-CD1 4.39Å; L773-I777 HydrophobicContact CG-CD1 4.05Å; L773-I777 VanDerWaalsContact O-CG1 3.26Å; L773-I777 WeakPolarHBondContact O-CG1 3.42Å; L773-I777 PolarHBondContact O-N 3.4Å; L773-I843 HydrophobicContact CD1-CD1 4.09Å; L773-I843 HydrophobicContact CD1-CG2 4.14Å; L773-I843 HydrophobicContact CD2-CG2 4.07Å
774T84.7Confident83.1Confident77 Ų7733.3 Ų33.347%0.47217%0.174SC..Hα-helixtrans-63.3-46.4178.850.80000111.6N772 Y776 I777 D778N772-T774 VanDerWaalsContact C-N 3.34Å; T774-Y776 VanDerWaalsContact C-N 3.33Å; T774-Y776 PolarHBondContact O-N 2.79Å; T774-I777 PolarHBondContact O-N 3.12Å; T774-D778 PolarHBondContact O-N 2.94Å
775D85.4Confident83.7Confident43 Ų4331.8 Ų31.823%0.2317%0.166CC..Hα-helixtrans-63.4-43.8178.2-58.1-14.7000109.7N772 I777 D778 W779N772-D775 HydrophobicContact CB-CB 4.23Å; N772-D775 WeakPolarHBondContact CB-OD2 3.47Å; N772-D775 PolarHBondContact ND2-OD2 3.04Å; N772-D775 PolarHBondContact O-N 2.95Å; D775-I777 VanDerWaalsContact C-N 3.31Å; D775-I777 PolarHBondContact O-N 2.92Å; D775-D778 PolarHBondContact O-N 2.86Å; D775-W779 WeakPolarHBondContact O-CB 3.16Å; D775-W779 PolarHBondContact O-N 2.91Å
776Y87.4Confident83.8Confident0 Ų029.3 Ų29.30%015%0.154CC..Hα-helixtrans-55.5-44.9175.4172.8-94.1000112.6S660 L662 F669 L671 F770 N772 L773 T774 L780 I843S660-Y776 WeakPolarHBondContact CB-OH 3.36Å; L662-Y776 HydrophobicContact CD1-CE1 4.26Å; F669-Y776 HydrophobicContact CB-CD2 3.79Å; F669-Y776 HydrophobicContact CB-CE2 4.46Å; F669-Y776 HydrophobicContact CB-CG 4.08Å; L671-Y776 HydrophobicContact CD1-CD2 4.47Å; L671-Y776 HydrophobicContact CD1-CE2 4.3Å; L671-Y776 HydrophobicContact CD2-CD2 4.26Å; L671-Y776 HydrophobicContact CD2-CE2 3.34Å; L671-Y776 HydrophobicContact CG-CD2 4.12Å; L671-Y776 HydrophobicContact CG-CE2 3.62Å; F770-Y776 AromaticContact CD2-CD2 3.88Å; F770-Y776 HydrophobicContact CD2-CD2 3.88Å; N772-Y776 PolarHBondContact O-N 3.23Å; N772-Y776 VanDerWaalsContact O-N 3.08Å; L773-Y776 HydrophobicContact CD1-CD1 4.49Å; L773-Y776 WeakPolarHBondContact O-CB 3.34Å; L773-Y776 PolarHBondContact O-N 3.32Å; T774-Y776 VanDerWaalsContact C-N 3.33Å; T774-Y776 PolarHBondContact O-N 2.79Å; Y776-L780 HydrophobicContact CE1-CD2 4.02Å; Y776-L780 VanDerWaalsContact O-CB 3.24Å; Y776-L780 WeakPolarHBondContact O-CB 3.38Å; Y776-L780 PolarHBondContact O-N 3.32Å; Y776-I843 HydrophobicContact CE1-CD1 4.48Å
777I85.3Confident83.5Confident10 Ų1030 Ų305%0.05116%0.159CC..Hα-helixtrans-63.6-49.3178-66.7165.2000109.9L773 T774 D775 W779 L780 T781 R836 I839 I843L773-I777 HydrophobicContact CD1-CD1 4.39Å; L773-I777 HydrophobicContact CG-CD1 4.05Å; L773-I777 VanDerWaalsContact O-CG1 3.26Å; L773-I777 WeakPolarHBondContact O-CG1 3.42Å; L773-I777 PolarHBondContact O-N 3.4Å; T774-I777 PolarHBondContact O-N 3.12Å; D775-I777 VanDerWaalsContact C-N 3.31Å; D775-I777 PolarHBondContact O-N 2.92Å; I777-W779 PolarHBondContact O-N 3.31Å; I777-L780 PolarHBondContact O-N 3.29Å; I777-T781 HydrophobicContact CG2-CG2 4.45Å; I777-T781 VanDerWaalsContact O-CG2 3.29Å; I777-T781 WeakPolarHBondContact O-CG2 3.49Å; I777-T781 PolarHBondContact O-N 3.35Å; I777-T781 PolarHBondContact O-OG1 2.95Å; I777-R836 HydrophobicContact CG2-CG 4.02Å; I777-I839 HydrophobicContact CG1-CG2 4.14Å; I777-I839 HydrophobicContact CG2-CB 4.27Å; I777-I839 HydrophobicContact CG2-CG2 4.03Å; I777-I843 HydrophobicContact CD1-CD1 3.89Å; I777-I843 HydrophobicContact CG1-CD1 3.67Å
778D86.5Confident82.9Confident29 Ų2931.9 Ų31.916%0.15517%0.172CC..Hα-helixtrans-60.8-44.5-178.5-66.2-20.2000111.1L603 T774 D775 T781 I782 R836L603-D778 HydrophobicContact CD1-CB 3.87Å; T774-D778 PolarHBondContact O-N 2.94Å; D775-D778 PolarHBondContact O-N 2.86Å; D778-T781 PolarHBondContact O-N 3.47Å; D778-T781 PolarHBondContact O-OG1 2.83Å; D778-I782 PolarHBondContact O-N 2.92Å; D778-I782 VanDerWaalsContact O-N 3.15Å; D778-R836 WeakPolarHBondContact OD1-CD 3.42Å; D778-R836 IonicContact OD1-CZ 3.46Å; D778-R836 IonicContact OD1-NE 3.64Å; D778-R836 PolarHBondContact OD1-NE 3.37Å; D778-R836 IonicContact OD1-NH2 3.62Å
779W87.5Confident81.7Confident2 Ų233.9 Ų33.91%0.00818%0.182CC..Hα-helixtrans-66-40.4175.9-79.4100.3000113.3L603 T605 I625 V627 L632 F770 D775 I777 T781 I782 F783L603-W779 HydrophobicContact CB-CH2 4.45Å; L603-W779 HydrophobicContact CB-CZ2 4.1Å; T605-W779 HydrophobicContact CG2-CZ2 4.41Å; T605-W779 WeakPolarHBondContact OG1-CZ2 3.49Å; T605-W779 PolarHBondContact OG1-NE1 3.3Å; I625-W779 HydrophobicContact CB-CH2 4.02Å; I625-W779 HydrophobicContact CB-CZ2 4.47Å; I625-W779 HydrophobicContact CG2-CH2 3.65Å; I625-W779 HydrophobicContact CG2-CZ3 4Å; V627-W779 HydrophobicContact CG2-CE3 4.38Å; V627-W779 HydrophobicContact CG2-CH2 3.82Å; V627-W779 HydrophobicContact CG2-CZ3 3.39Å; L632-W779 HydrophobicContact CD1-CH2 4.39Å; L632-W779 HydrophobicContact CD1-CZ3 3.8Å; F770-W779 AromaticContact CD1-CD1 3.78Å; F770-W779 HydrophobicContact CD1-CG 4.25Å; F770-W779 HydrophobicContact CE1-CB 3.74Å; F770-W779 AromaticContact CE1-CD1 3.22Å; F770-W779 AromaticContact CE1-CD2 3.93Å; F770-W779 HydrophobicContact CE1-CD2 3.93Å; F770-W779 AromaticContact CE1-CG 3.34Å; F770-W779 HydrophobicContact CE1-CG 3.34Å; F770-W779 AromaticContact CE1-NE1 3.76Å; F770-W779 HydrophobicContact CE2-CB 4.41Å; F770-W779 HydrophobicContact CZ-CB 3.63Å; F770-W779 HydrophobicContact CZ-CD2 4.23Å; F770-W779 AromaticContact CZ-CG 3.68Å; F770-W779 HydrophobicContact CZ-CG 3.68Å; D775-W779 WeakPolarHBondContact O-CB 3.16Å; D775-W779 PolarHBondContact O-N 2.91Å; I777-W779 PolarHBondContact O-N 3.31Å; W779-T781 VanDerWaalsContact C-N 3.33Å; W779-T781 PolarHBondContact O-N 3.45Å; W779-I782 PolarHBondContact O-N 3.33Å; W779-F783 HydrophobicContact CB-CE2 4.38Å; W779-F783 HydrophobicContact CE3-CE1 4.47Å; W779-F783 AromaticContact CE3-CE2 3.72Å; W779-F783 HydrophobicContact CE3-CE2 3.72Å; W779-F783 AromaticContact CE3-CZ 3.68Å; W779-F783 HydrophobicContact CE3-CZ 3.68Å; W779-F783 HydrophobicContact CZ3-CE2 4.45Å; W779-F783 AromaticContact CZ3-CZ 3.96Å; W779-F783 HydrophobicContact CZ3-CZ 3.96Å; W779-F783 WeakPolarHBondContact O-CD2 3.31Å; W779-F783 WeakPolarHBondContact O-CG 3.4Å; W779-F783 PolarHBondContact O-N 3.04Å
780L85.5Confident80.1Confident4 Ų435.4 Ų35.42%0.02119%0.193CC..Hα-helixtrans-63.9-38.9177-178.359.7000111.7I658 L671 Y776 I777 R784 I839I658-L780 HydrophobicContact CD1-CD1 4.4Å; L671-L780 HydrophobicContact CD1-CB 4.36Å; L671-L780 HydrophobicContact CD1-CD1 4.48Å; L671-L780 HydrophobicContact CD2-CD1 3.86Å; Y776-L780 HydrophobicContact CE1-CD2 4.02Å; Y776-L780 VanDerWaalsContact O-CB 3.24Å; Y776-L780 WeakPolarHBondContact O-CB 3.38Å; Y776-L780 PolarHBondContact O-N 3.32Å; I777-L780 PolarHBondContact O-N 3.29Å; L780-R784 HydrophobicContact CD1-CG 4.43Å; L780-R784 WeakPolarHBondContact O-CB 3.22Å; L780-R784 WeakPolarHBondContact O-CG 3.45Å; L780-R784 PolarHBondContact O-N 3.21Å; L780-I839 HydrophobicContact CB-CD1 4.37Å; L780-I839 HydrophobicContact CD2-CD1 3.92Å; L780-I839 HydrophobicContact CD2-CG2 4.15Å; L780-I839 HydrophobicContact CG-CD1 3.88Å
781T84Confident78.4Confident0 Ų040.4 Ų40.40%022%0.219CC..Hα-helixtrans-64.3-45.5175.960.80000112.2I777 D778 W779 R784 I785 F832 E835 R836 I839I777-T781 HydrophobicContact CG2-CG2 4.45Å; I777-T781 VanDerWaalsContact O-CG2 3.29Å; I777-T781 WeakPolarHBondContact O-CG2 3.49Å; I777-T781 PolarHBondContact O-N 3.35Å; I777-T781 PolarHBondContact O-OG1 2.95Å; D778-T781 PolarHBondContact O-N 3.47Å; D778-T781 PolarHBondContact O-OG1 2.83Å; W779-T781 VanDerWaalsContact C-N 3.33Å; W779-T781 PolarHBondContact O-N 3.45Å; T781-R784 PolarHBondContact O-N 3.02Å; T781-I785 VanDerWaalsContact O-CG1 3.31Å; T781-I785 WeakPolarHBondContact O-CG1 3.36Å; T781-I785 PolarHBondContact O-N 3.36Å; T781-F832 WeakPolarHBondContact OG1-CE2 3.42Å; T781-E835 HydrophobicContact CG2-CB 4.25Å; T781-R836 VanDerWaalsContact CG2-CA 3.42Å; T781-R836 HydrophobicContact CG2-CB 3.85Å; T781-R836 HydrophobicContact CG2-CG 4.4Å; T781-I839 HydrophobicContact CG2-CD1 3.64Å
782I84.1Confident76.5Confident5 Ų540.9 Ų40.93%0.02621%0.214CC..Hα-helixtrans-62.2-46.9177.6-67.6-153.1000110.8L603 V627 D778 W779 R784 I785 T786 F832L603-I782 HydrophobicContact CB-CD1 4.1Å; L603-I782 HydrophobicContact CD1-CD1 3.25Å; L603-I782 HydrophobicContact CD1-CG1 3.7Å; L603-I782 HydrophobicContact CG-CD1 3.49Å; L603-I782 VanDerWaalsContact CG-CD1 3.49Å; L603-I782 HydrophobicContact CG-CG1 4.45Å; V627-I782 HydrophobicContact CG1-CG2 3.98Å; V627-I782 HydrophobicContact CG2-CG2 4.39Å; D778-I782 PolarHBondContact O-N 2.92Å; D778-I782 VanDerWaalsContact O-N 3.15Å; W779-I782 PolarHBondContact O-N 3.33Å; I782-R784 VanDerWaalsContact C-N 3.31Å; I782-R784 PolarHBondContact O-N 3.22Å; I782-I785 PolarHBondContact O-N 3.04Å; I782-T786 HydrophobicContact CG2-CG2 4Å; I782-T786 WeakPolarHBondContact O-CB 3.48Å; I782-T786 WeakPolarHBondContact O-CG2 3.46Å; I782-T786 PolarHBondContact O-N 2.66Å; I782-T786 PolarHBondContact O-OG1 3.27Å; I782-F832 HydrophobicContact CD1-CE2 4.2Å; I782-F832 HydrophobicContact CG1-CD2 4.14Å; I782-F832 HydrophobicContact CG1-CE2 3.57Å
783F84.5Confident74.1Confident0 Ų042.7 Ų42.70%022%0.223CC..Hα-helixtrans-63.5-38-179.6-72.8-48000112.2L632 L653 I658 L671 L768 W779 T786 T787L632-F783 HydrophobicContact CD1-CE1 3.94Å; L632-F783 HydrophobicContact CD1-CZ 4.03Å; L632-F783 HydrophobicContact CD2-CE1 4.14Å; L632-F783 HydrophobicContact CD2-CZ 4.24Å; L653-F783 HydrophobicContact CD1-CD1 3.95Å; L653-F783 HydrophobicContact CD1-CE1 3.98Å; L653-F783 HydrophobicContact CD2-CD1 3.77Å; L653-F783 HydrophobicContact CD2-CE1 3.63Å; L653-F783 HydrophobicContact CG-CD1 4.48Å; L653-F783 HydrophobicContact CG-CE1 4.47Å; I658-F783 HydrophobicContact CD1-CB 3.26Å; I658-F783 HydrophobicContact CD1-CD2 3.57Å; I658-F783 HydrophobicContact CD1-CG 3.62Å; L671-F783 HydrophobicContact CD1-CD2 4.07Å; L671-F783 HydrophobicContact CD1-CE2 4.36Å; L768-F783 HydrophobicContact CD1-CE2 3.65Å; L768-F783 HydrophobicContact CD1-CZ 3.8Å; W779-F783 HydrophobicContact CB-CE2 4.38Å; W779-F783 HydrophobicContact CE3-CE1 4.47Å; W779-F783 AromaticContact CE3-CE2 3.72Å; W779-F783 HydrophobicContact CE3-CE2 3.72Å; W779-F783 AromaticContact CE3-CZ 3.68Å; W779-F783 HydrophobicContact CE3-CZ 3.68Å; W779-F783 HydrophobicContact CZ3-CE2 4.45Å; W779-F783 AromaticContact CZ3-CZ 3.96Å; W779-F783 HydrophobicContact CZ3-CZ 3.96Å; W779-F783 WeakPolarHBondContact O-CD2 3.31Å; W779-F783 WeakPolarHBondContact O-CG 3.4Å; W779-F783 PolarHBondContact O-N 3.04Å; F783-T786 WeakPolarHBondContact CA-OG1 3.31Å; F783-T786 PolarHBondContact O-OG1 3.2Å; F783-T787 VanDerWaalsContact O-CB 3.27Å; F783-T787 WeakPolarHBondContact O-CB 3.46Å; F783-T787 WeakPolarHBondContact O-CG2 3.35Å; F783-T787 PolarHBondContact O-N 2.97Å; F783-T787 PolarHBondContact O-OG1 3.48Å
784R79.3Confident71.6Confident70 Ų7044.7 Ų44.726%0.26424%0.239SC..Hα-helixtrans-64-43.8174.7-79.5179.5160-146.7-7.7113.1L498 L780 T781 I782 T787 S788L498-R784 PolarHBondContact O-NH2 3.13Å; L780-R784 HydrophobicContact CD1-CG 4.43Å; L780-R784 WeakPolarHBondContact O-CB 3.22Å; L780-R784 WeakPolarHBondContact O-CG 3.45Å; L780-R784 PolarHBondContact O-N 3.21Å; T781-R784 PolarHBondContact O-N 3.02Å; I782-R784 VanDerWaalsContact C-N 3.31Å; I782-R784 PolarHBondContact O-N 3.22Å; R784-T787 PolarHBondContact O-OG1 3.14Å; R784-T787 VanDerWaalsContact O-OG1 3.14Å; R784-S788 WeakPolarHBondContact O-CB 3.24Å; R784-S788 PolarHBondContact O-N 2.58Å; R784-S788 PolarHBondContact O-OG 3.18Å
785I78.9Confident69.1Low25 Ų2545.8 Ų45.813%0.12825%0.251CS..Hα-helixtrans-67.7-46.6179.6-66.5166.3000110.3T781 I782 S788 I789 I831 F832 E835T781-I785 VanDerWaalsContact O-CG1 3.31Å; T781-I785 WeakPolarHBondContact O-CG1 3.36Å; T781-I785 PolarHBondContact O-N 3.36Å; I782-I785 PolarHBondContact O-N 3.04Å; I785-S788 PolarHBondContact O-N 3.24Å; I785-I789 PolarHBondContact O-N 3.34Å; I785-I831 HydrophobicContact CD1-CG2 4.35Å; I785-F832 HydrophobicContact CD1-CB 4.11Å; I785-F832 HydrophobicContact CD1-CD2 4.14Å; I785-E835 HydrophobicContact CD1-CB 4.43Å; I785-E835 HydrophobicContact CD1-CG 4.4Å; I785-E835 HydrophobicContact CG1-CG 4.34Å
786T75.4Confident66.4Low2 Ų250.4 Ų50.41%0.01228%0.275CS..Hα-helixtrans-68.6-37.1-177.551.50000113.4L653 I782 F783 S788L653-T786 HydrophobicContact CD1-CG2 4.12Å; L653-T786 WeakPolarHBondContact CD1-OG1 3.47Å; I782-T786 HydrophobicContact CG2-CG2 4Å; I782-T786 WeakPolarHBondContact O-CB 3.48Å; I782-T786 WeakPolarHBondContact O-CG2 3.46Å; I782-T786 PolarHBondContact O-N 2.66Å; I782-T786 PolarHBondContact O-OG1 3.27Å; F783-T786 WeakPolarHBondContact CA-OG1 3.31Å; F783-T786 PolarHBondContact O-OG1 3.2Å; T786-S788 VanDerWaalsContact C-N 3.3Å; T786-S788 PolarHBondContact O-N 3.26Å
787T73Confident63.7Low21 Ų2157 Ų5713%0.12931%0.31CS..Hα-helixtrans-68.4-29.6175.452.40000112.2L653 C656 F783 R784L653-T787 WeakPolarHBondContact O-CG2 3.36Å; C656-T787 HydrophobicContact CB-CG2 4.13Å; C656-T787 WeakPolarHBondContact O-CG2 3.33Å; F783-T787 VanDerWaalsContact O-CB 3.27Å; F783-T787 WeakPolarHBondContact O-CB 3.46Å; F783-T787 WeakPolarHBondContact O-CG2 3.35Å; F783-T787 PolarHBondContact O-N 2.97Å; F783-T787 PolarHBondContact O-OG1 3.48Å; R784-T787 PolarHBondContact O-OG1 3.14Å; R784-T787 VanDerWaalsContact O-OG1 3.14Å
788S69.7Low61.2Low48 Ų4861.2 Ų61.234%0.33634%0.34SS..Hα-helixtrans-79.8-14.8-177.6-59.10000115R784 I785 T786 H790 L791R784-S788 WeakPolarHBondContact O-CB 3.24Å; R784-S788 PolarHBondContact O-N 2.58Å; R784-S788 PolarHBondContact O-OG 3.18Å; I785-S788 PolarHBondContact O-N 3.24Å; T786-S788 VanDerWaalsContact C-N 3.3Å; T786-S788 PolarHBondContact O-N 3.26Å; S788-H790 PolarHBondContact O-N 3.34Å; S788-H790 VanDerWaalsContact O-N 3.09Å; S788-L791 PolarHBondContact O-N 3.44Å
789I61.2Low58.5Low47 Ų4765.8 Ų65.824%0.24137%0.369CS..G310 helixtrans-59.3-26.6-176.6-69.3166.7000112.7T630 I785 L791 I792 L827T630-I789 HydrophobicContact CG2-CD1 3.71Å; I785-I789 PolarHBondContact O-N 3.34Å; I789-L791 PolarHBondContact O-N 3.13Å; I789-I792 PolarHBondContact O-N 3Å; I789-L827 HydrophobicContact CD1-CD2 4.03Å
790H52.3Low55.7Low117 Ų11772.2 Ų72.254%0.54240%0.404SS..G310 helixtrans-67.5-15.9178.2-162.3-68.1000113.4S788S788-H790 PolarHBondContact O-N 3.34Å; S788-H790 VanDerWaalsContact O-N 3.09Å
791L49.4Very low53.1Low116 Ų11679.2 Ų79.261%0.60744%0.439SS*.G310 helixtrans-85.6-13.5179.8-85.889.3000114.5Y503 S788 I789Y503-L791 HydrophobicContact CE1-CD2 3.72Å; Y503-L791 WeakPolarHBondContact OH-CD2 3.13Å; S788-L791 PolarHBondContact O-N 3.44Å; I789-L791 PolarHBondContact O-N 3.13Å
792I44.9Very low50.6Low99 Ų9985.9 Ų85.951%0.50848%0.48SS..THydrogen-bonded Turntrans-101.6-12.2-170.2-53.9175.6000113I789 P794 L826I789-I792 PolarHBondContact O-N 3Å; I792-P794 WeakPolarHBondContact O-CD 3.34Å; I792-L826 HydrophobicContact CB-CD1 4.22Å; I792-L826 HydrophobicContact CD1-CD1 4.35Å; I792-L826 HydrophobicContact CD1-CD2 3.95Å; I792-L826 HydrophobicContact CG2-CD1 3.74Å; I792-L826 HydrophobicContact CG2-CD2 4.17Å
793L33.6Very low48Very low118 Ų11893.3 Ų93.362%0.61852%0.52SS*.SBendtrans-94.5113.8-178.5-141.975.4000111.2S795L793-S795 PolarHBondContact O-N 3.05Å
794P31.3Very low45.5Very low105 Ų105100 Ų10068%0.68256%0.556SS**  trans-69125.6175.57.32.3000109.8I792 N796I792-P794 WeakPolarHBondContact O-CD 3.34Å; P794-N796 PolarHBondContact O-N 3.11Å
795S31.8Very low43Very low101 Ų101102.5 Ų102.571%0.70658%0.583SS**SBendtrans-71.918.4-177.444.80000115.3L793 L797L793-S795 PolarHBondContact O-N 3.05Å; S795-L797 PolarHBondContact O-N 2.85Å
796N28.5Very low40.6Very low140 Ų140105.7 Ų105.775%0.74961%0.608SS**THydrogen-bonded Turntrans-93.116.8-171.3-69.4-7.6000115.3P794P794-N796 PolarHBondContact O-N 3.11Å
797L31Very low38.5Very low139 Ų139113.2 Ų113.273%0.72865%0.646SS**THydrogen-bonded Turntrans-135.727.3-174.6-137.786.7000115.6S795 R819S795-L797 PolarHBondContact O-N 2.85Å; L797-R819 PolarHBondContact O-NH2 3Å
798S31.8Very low36.2Very low98 Ų98117.1 Ų117.169%0.68568%0.675SS**SBendtrans-133.220.1-176.364.60000115.9
799T30Very low34.3Very low124 Ų124122.6 Ų122.676%0.76170%0.699SS**SBendtrans-116.6-5178.147.70000115.8
800D29Very low32.6Very low138 Ų138129.4 Ų129.474%0.73873%0.726SS**SBendtrans-120.4140.2172.7-60.6-35.5000108
801I31.1Very low31.5Very low150 Ų150130.1 Ų130.177%0.76974%0.739SS**SBendtrans94.564.1-174.5-43.3153.9000113.9
802T30.8Very low30.5Very low140 Ų140133.7 Ų133.786%0.85975%0.75SS**SBend-157.849.9126.5530000109.7
803D29.9Very low29.8Very low161 Ų161139.5 Ų139.586%0.86177%0.771SS**SBendtrans-137.145.2166.4-102.5-10.5000108.8
804L31.8Very low30Very low142 Ų142138.1 Ų138.174%0.74377%0.771SS**  trans-142.451.9176.2-74170.2000109.2S806L804-S806 VanDerWaalsContact C-N 3.3Å
805S28.4Very low30.4Very low121 Ų121137.5 Ų137.585%0.84677%0.77SS**SBendtrans-97.755.7158.163.60000109.7
806S28.3Very low30.8Very low92 Ų92141.9 Ų141.964%0.64378%0.776SS**SBendtrans-179.3145.5151.752.20000106.5L804L804-S806 VanDerWaalsContact C-N 3.3Å
807I30.7Very low31Very low160 Ų160143.4 Ų143.482%0.82178%0.776SS**  trans92.985.4-175-48.5167.2000113.5
808S23.6Very low31.2Very low104 Ų104140 Ų14073%0.72776%0.764SS**  trans-31.7131.2152.8-179.20000114.1
809I30.9Very low31.6Very low163 Ų163142.6 Ų142.684%0.83676%0.759SS**  179.4140.2126.4-82.9148.4000108.5
810K25.5Very low32.2Very low189 Ų189140 Ų14082%0.82275%0.746SS**  trans-61.4143.8-166-61.9161.3176.2174.50114.8
811T28.7Very low33Very low133 Ų133138.4 Ų138.482%0.81674%0.736SS**  trans142.6146.5133.255.80000114.9
812K29.6Very low33.7Very low191 Ų191135.4 Ų135.483%0.8372%0.721SS**  trans98.7101.2166.9-60.8-175.4177.3178.60118.7
813K30.5Very low34.6Very low220 Ų220133.2 Ų133.296%0.95770%0.703SS**  trans-105.722.2177.9-125.1178.8-174.6-179.20113.4
814S36.7Very low35.6Very low89 Ų89130.2 Ų130.262%0.62269%0.691SS**  trans-104.4-9.5-166.159.90000117.7
815S39.6Very low36.4Very low92 Ų92126.6 Ų126.664%0.64368%0.677SS**THydrogen-bonded Turntrans-87.8-16.4-165.460.30000117.4
816K39.4Very low37.4Very low193 Ų193123.4 Ų123.484%0.83965%0.65SS**Hα-helixtrans-78.7-20.1-177.9-79.6-177177.9178.50114.6
817K32.8Very low38.8Very low172 Ų172120.4 Ų120.475%0.74863%0.627SS**Hα-helixtrans-76.5-26-179.3-119.2176.2178.7-177.70113.1S820 I821K817-S820 PolarHBondContact O-OG 3.3Å; K817-I821 VanDerWaalsContact O-CD1 3.27Å; K817-I821 WeakPolarHBondContact O-CD1 3.37Å; K817-I821 WeakPolarHBondContact O-CG1 3.44Å
818S36.4Very low40.3Very low69 Ų69115 Ų11548%0.48360%0.6SS.*Hα-helixtrans-77.1-29.5-176.3-53.90000114.3I821 I822S818-I821 PolarHBondContact O-N 2.96Å; S818-I822 WeakPolarHBondContact O-CG1 3.39Å; S818-I822 PolarHBondContact O-N 3.26Å
819R39.7Very low42.5Very low151 Ų151117.2 Ų117.257%0.5759%0.592SS**Hα-helixtrans-69.8-34.2-179.5-80-177173.6157.2-0.1113.4L797 I823L797-R819 PolarHBondContact O-NH2 3Å; R819-I823 WeakPolarHBondContact O-CG1 3.16Å
820S43.6Very low44.4Very low70 Ų70112.6 Ų112.649%0.4957%0.572SS.*Hα-helixtrans-72.2-32.2177.760.80000112.4K817 T824K817-S820 PolarHBondContact O-OG 3.3Å; S820-T824 PolarHBondContact O-N 2.82Å; S820-T824 VanDerWaalsContact O-N 3.12Å; S820-T824 PolarHBondContact O-OG1 2.81Å
821I44.4Very low46.9Very low105 Ų105107.1 Ų107.154%0.53855%0.551SS.*Hα-helixtrans-70.5-39.5-178.8-62.9166.9000111K817 S818 T824 S825K817-I821 VanDerWaalsContact O-CD1 3.27Å; K817-I821 WeakPolarHBondContact O-CD1 3.37Å; K817-I821 WeakPolarHBondContact O-CG1 3.44Å; S818-I821 PolarHBondContact O-N 2.96Å; I821-T824 WeakPolarHBondContact CA-OG1 3.43Å; I821-T824 PolarHBondContact O-N 2.69Å; I821-T824 PolarHBondContact O-OG1 2.77Å; I821-T824 VanDerWaalsContact O-OG1 3.1Å; I821-S825 WeakPolarHBondContact O-CB 3.43Å; I821-S825 PolarHBondContact O-N 3.12Å
822I46.9Very low49.5Very low87 Ų87101.6 Ų101.645%0.44652%0.515SS..Hα-helixtrans-69.1-42.3179.6-62.1167.2000111.1S818 T824 S825 L826S818-I822 WeakPolarHBondContact O-CG1 3.39Å; S818-I822 PolarHBondContact O-N 3.26Å; I822-T824 PolarHBondContact O-N 2.98Å; I822-S825 PolarHBondContact O-N 3.5Å; I822-S825 PolarHBondContact O-OG 2.92Å; I822-L826 HydrophobicContact CG2-CD1 4.34Å; I822-L826 PolarHBondContact O-N 3.16Å
823I50Low52Low93 Ų9396 Ų9648%0.47749%0.494SS..Hα-helixtrans-65.6-39177.5-64.2170.8000111.1R819 S825 L827R819-I823 WeakPolarHBondContact O-CG1 3.16Å; I823-S825 VanDerWaalsContact C-N 3.33Å; I823-L827 HydrophobicContact CG2-CD1 3.97Å; I823-L827 WeakPolarHBondContact O-CB 3.39Å; I823-L827 WeakPolarHBondContact O-CG 3.25Å; I823-L827 PolarHBondContact O-N 3.27Å
824T49.8Very low54.5Low99 Ų9990.9 Ų90.961%0.60748%0.477SS*.Hα-helixtrans-68.8-30174.730.40000112.9S820 I821 I822S820-T824 PolarHBondContact O-N 2.82Å; S820-T824 VanDerWaalsContact O-N 3.12Å; S820-T824 PolarHBondContact O-OG1 2.81Å; I821-T824 WeakPolarHBondContact CA-OG1 3.43Å; I821-T824 PolarHBondContact O-N 2.69Å; I821-T824 PolarHBondContact O-OG1 2.77Å; I821-T824 VanDerWaalsContact O-OG1 3.1Å; I822-T824 PolarHBondContact O-N 2.98Å
825S48.2Very low56.6Low66 Ų6689.3 Ų89.346%0.46246%0.46SS..Hα-helixtrans-71.9-32.3177.475.50000114.2I821 I822 I823I821-S825 WeakPolarHBondContact O-CB 3.43Å; I821-S825 PolarHBondContact O-N 3.12Å; I822-S825 PolarHBondContact O-N 3.5Å; I822-S825 PolarHBondContact O-OG 2.92Å; I823-S825 VanDerWaalsContact C-N 3.33Å
826L50.6Low58.8Low53 Ų5389.4 Ų89.428%0.27745%0.447SS..Hα-helixtrans-82.2-27.3179.1-70.3169000112.4I792 I822 N828I792-L826 HydrophobicContact CB-CD1 4.22Å; I792-L826 HydrophobicContact CD1-CD1 4.35Å; I792-L826 HydrophobicContact CD1-CD2 3.95Å; I792-L826 HydrophobicContact CG2-CD1 3.74Å; I792-L826 HydrophobicContact CG2-CD2 4.17Å; I822-L826 HydrophobicContact CG2-CD1 4.34Å; I822-L826 PolarHBondContact O-N 3.16Å; L826-N828 PolarHBondContact O-N 3.41Å; L826-N828 VanDerWaalsContact O-N 3.11Å
827L58.3Low60.9Low30 Ų3086.9 Ų86.916%0.15744%0.436CS..SBendtrans-85.849.7175.7-77.1-178000111.2L600 I789 I823L600-L827 HydrophobicContact CD1-CB 3.27Å; L600-L827 HydrophobicContact CD1-CD1 4.24Å; L600-L827 HydrophobicContact CD1-CD2 3.53Å; L600-L827 HydrophobicContact CD1-CG 3.81Å; L600-L827 WeakPolarHBondContact CD1-O 3.32Å; L600-L827 HydrophobicContact CD2-CD2 4.33Å; I789-L827 HydrophobicContact CD1-CD2 4.03Å; I823-L827 HydrophobicContact CG2-CD1 3.97Å; I823-L827 WeakPolarHBondContact O-CB 3.39Å; I823-L827 WeakPolarHBondContact O-CG 3.25Å; I823-L827 PolarHBondContact O-N 3.27Å
828N61.2Low63.3Low46 Ų4681.3 Ų81.325%0.24642%0.422CS..  trans-96.4139.3-175.3-145.5-15.9000111.8L826 T830 I831L826-N828 PolarHBondContact O-N 3.41Å; L826-N828 VanDerWaalsContact O-N 3.11Å; N828-T830 PolarHBondContact O-N 2.75Å; N828-I831 PolarHBondContact O-N 2.66Å; N828-I831 VanDerWaalsContact O-N 3.17Å
829R69.6Low65.6Low150 Ų15078.4 Ų78.457%0.56640%0.401SS*.Hα-helixtrans-57.3-22.3-177.3-171.7173.2-179.1-1341.2113.5N833R829-N833 VanDerWaalsContact O-CG 3.3Å; R829-N833 PolarHBondContact O-N 2.87Å; R829-N833 PolarHBondContact O-ND2 3.5Å
830T71.9Confident67.7Low67 Ų6773.5 Ų73.541%0.41139%0.388SS..Hα-helixtrans-69-41.4179.253.70000113.3N828 N833 N834N828-T830 PolarHBondContact O-N 2.75Å; T830-N833 PolarHBondContact O-N 2.54Å; T830-N834 PolarHBondContact O-N 2.98Å; T830-N834 VanDerWaalsContact O-N 3.13Å; T830-N834 PolarHBondContact O-ND2 2.89Å
831I77.3Confident69.5Low74 Ų7474 Ų7438%0.37939%0.385SS..Hα-helixtrans-68-43.9-178.9-63.2174.2000110.2I785 N828 N833 N834 E835I785-I831 HydrophobicContact CD1-CG2 4.35Å; N828-I831 PolarHBondContact O-N 2.66Å; N828-I831 VanDerWaalsContact O-N 3.17Å; I831-N833 PolarHBondContact O-N 2.84Å; I831-N834 PolarHBondContact O-N 2.78Å; I831-E835 PolarHBondContact O-N 2.78Å
832F82.6Confident71.2Confident16 Ų1672.2 Ų72.27%0.0738%0.376CS..Hα-helixtrans-55.9-47.8174.7177.3-95.7000112.4P601 T781 I782 I785 N834 R836P601-F832 HydrophobicContact CG-CD1 4.47Å; P601-F832 HydrophobicContact CG-CE1 4.23Å; P601-F832 HydrophobicContact CG-CZ 4.45Å; T781-F832 WeakPolarHBondContact OG1-CE2 3.42Å; I782-F832 HydrophobicContact CD1-CE2 4.2Å; I782-F832 HydrophobicContact CG1-CD2 4.14Å; I782-F832 HydrophobicContact CG1-CE2 3.57Å; I785-F832 HydrophobicContact CD1-CB 4.11Å; I785-F832 HydrophobicContact CD1-CD2 4.14Å; F832-N834 VanDerWaalsContact C-N 3.31Å; F832-N834 PolarHBondContact O-N 3.15Å; F832-R836 VanDerWaalsContact O-CB 3.31Å; F832-R836 WeakPolarHBondContact O-CB 3.5Å; F832-R836 PolarHBondContact O-N 3.5Å
833N83.6Confident72.7Confident73 Ų7368.5 Ų68.539%0.3936%0.357SS..Hα-helixtrans-64.2-35.3179.3-73.2-20.7000112.8R829 T830 I831 K837R829-N833 VanDerWaalsContact O-CG 3.3Å; R829-N833 PolarHBondContact O-N 2.87Å; R829-N833 PolarHBondContact O-ND2 3.5Å; T830-N833 PolarHBondContact O-N 2.54Å; I831-N833 PolarHBondContact O-N 2.84Å; N833-K837 PolarHBondContact O-N 2.7Å; N833-K837 VanDerWaalsContact O-N 3.15Å
834N81Confident73.9Confident113 Ų11370.9 Ų70.960%0.60437%0.366SS*.Hα-helixtrans-69.8-47.4178.8-73.7-16.9000112.2T830 I831 F832 R836 K837 A838T830-N834 PolarHBondContact O-N 2.98Å; T830-N834 VanDerWaalsContact O-N 3.13Å; T830-N834 PolarHBondContact O-ND2 2.89Å; I831-N834 PolarHBondContact O-N 2.78Å; F832-N834 VanDerWaalsContact C-N 3.31Å; F832-N834 PolarHBondContact O-N 3.15Å; N834-R836 PolarHBondContact O-N 3.01Å; N834-K837 PolarHBondContact O-N 3.29Å; N834-A838 PolarHBondContact O-N 3.47Å; N834-A838 VanDerWaalsContact O-N 3.1Å
835E81.4Confident74.9Confident56 Ų5673.5 Ų73.526%0.26238%0.376SS..Hα-helixtrans-60.1-44.3175.1-84.6-69.2150.200111.6T781 I785 I831 K837 A838 I839T781-E835 HydrophobicContact CG2-CB 4.25Å; I785-E835 HydrophobicContact CD1-CB 4.43Å; I785-E835 HydrophobicContact CD1-CG 4.4Å; I785-E835 HydrophobicContact CG1-CG 4.34Å; I831-E835 PolarHBondContact O-N 2.78Å; E835-K837 VanDerWaalsContact C-N 3.3Å; E835-K837 PolarHBondContact O-N 2.79Å; E835-A838 WeakPolarHBondContact O-CB 3.38Å; E835-A838 PolarHBondContact O-N 2.83Å; E835-A838 VanDerWaalsContact O-N 3.12Å; E835-I839 WeakPolarHBondContact O-CG1 3.33Å; E835-I839 PolarHBondContact O-N 2.72Å
836R85.7Confident75.7Confident95 Ų9573.1 Ų73.136%0.35837%0.368SS..Hα-helixtrans-57.2-42.4176.7-171.8-179.8-177.6-87.9-2112.7I777 D778 T781 F832 N834 T840I777-R836 HydrophobicContact CG2-CG 4.02Å; D778-R836 WeakPolarHBondContact OD1-CD 3.42Å; D778-R836 IonicContact OD1-CZ 3.46Å; D778-R836 IonicContact OD1-NE 3.64Å; D778-R836 PolarHBondContact OD1-NE 3.37Å; D778-R836 IonicContact OD1-NH2 3.62Å; T781-R836 VanDerWaalsContact CG2-CA 3.42Å; T781-R836 HydrophobicContact CG2-CB 3.85Å; T781-R836 HydrophobicContact CG2-CG 4.4Å; F832-R836 VanDerWaalsContact O-CB 3.31Å; F832-R836 WeakPolarHBondContact O-CB 3.5Å; F832-R836 PolarHBondContact O-N 3.5Å; N834-R836 PolarHBondContact O-N 3.01Å; R836-T840 WeakPolarHBondContact O-CB 3.43Å; R836-T840 PolarHBondContact O-N 2.79Å; R836-T840 VanDerWaalsContact O-N 3.08Å; R836-T840 PolarHBondContact O-OG1 2.8Å
837K85Confident76.1Confident139 Ų13973.2 Ų73.260%0.60437%0.373SS*.Hα-helixtrans-65.9-40.5177.2-169.4176.8-179.5-179.70111.6N833 N834 E835 T840 N841N833-K837 PolarHBondContact O-N 2.7Å; N833-K837 VanDerWaalsContact O-N 3.15Å; N834-K837 PolarHBondContact O-N 3.29Å; E835-K837 VanDerWaalsContact C-N 3.3Å; E835-K837 PolarHBondContact O-N 2.79Å; K837-T840 PolarHBondContact O-N 3.08Å; K837-N841 WeakPolarHBondContact O-CB 3.43Å; K837-N841 VanDerWaalsContact O-CG 3.22Å; K837-N841 PolarHBondContact O-N 3.45Å; K837-N841 PolarHBondContact O-ND2 3.47Å
838A82.6Confident75.9Confident56 Ų5676.5 Ų76.546%0.46340%0.396SS..Hα-helixtrans-62.7-47.3177.900000112.3N834 E835 N841 L842N834-A838 PolarHBondContact O-N 3.47Å; N834-A838 VanDerWaalsContact O-N 3.1Å; E835-A838 WeakPolarHBondContact O-CB 3.38Å; E835-A838 PolarHBondContact O-N 2.83Å; E835-A838 VanDerWaalsContact O-N 3.12Å; A838-N841 PolarHBondContact O-N 3.28Å; A838-L842 PolarHBondContact O-N 3.16Å
839I83.6Confident75Confident7 Ų781.5 Ų81.54%0.03642%0.423CS..Hα-helixtrans-64.8-41.8179.1-62.6179.9000111.2I777 L780 T781 E835 N841 L842 I843I777-I839 HydrophobicContact CG1-CG2 4.14Å; I777-I839 HydrophobicContact CG2-CB 4.27Å; I777-I839 HydrophobicContact CG2-CG2 4.03Å; L780-I839 HydrophobicContact CB-CD1 4.37Å; L780-I839 HydrophobicContact CD2-CD1 3.92Å; L780-I839 HydrophobicContact CD2-CG2 4.15Å; L780-I839 HydrophobicContact CG-CD1 3.88Å; T781-I839 HydrophobicContact CG2-CD1 3.64Å; E835-I839 WeakPolarHBondContact O-CG1 3.33Å; E835-I839 PolarHBondContact O-N 2.72Å; I839-N841 PolarHBondContact O-N 3.16Å; I839-L842 PolarHBondContact O-N 2.85Å; I839-I843 HydrophobicContact CG2-CD1 3.88Å; I839-I843 WeakPolarHBondContact O-CG1 3.44Å; I839-I843 PolarHBondContact O-N 2.81Å; I839-I843 VanDerWaalsContact O-N 3.08Å
840T85.3Confident73.1Confident48 Ų4879.3 Ų79.329%0.29443%0.431SS..Hα-helixtrans-61.9-45.3178.7-54.70000111.7R836 K837 L842 I843 Q844R836-T840 WeakPolarHBondContact O-CB 3.43Å; R836-T840 PolarHBondContact O-N 2.79Å; R836-T840 VanDerWaalsContact O-N 3.08Å; R836-T840 PolarHBondContact O-OG1 2.8Å; K837-T840 PolarHBondContact O-N 3.08Å; T840-L842 VanDerWaalsContact C-N 3.3Å; T840-L842 PolarHBondContact O-N 2.91Å; T840-I843 PolarHBondContact O-N 3.04Å; T840-Q844 PolarHBondContact O-N 3.42Å
841N79.8Confident71.3Confident81 Ų8182.8 Ų82.843%0.43345%0.446SS..Hα-helixtrans-61.8-38.3178.1-72.9-12.3000112.1K837 A838 I839 Q844 L845K837-N841 WeakPolarHBondContact O-CB 3.43Å; K837-N841 VanDerWaalsContact O-CG 3.22Å; K837-N841 PolarHBondContact O-N 3.45Å; K837-N841 PolarHBondContact O-ND2 3.47Å; A838-N841 PolarHBondContact O-N 3.28Å; I839-N841 PolarHBondContact O-N 3.16Å; N841-Q844 PolarHBondContact O-N 3.29Å; N841-L845 WeakPolarHBondContact O-CG 3.45Å; N841-L845 PolarHBondContact O-N 3.2Å
842L80.9Confident68.9Low67 Ų6788.5 Ų88.535%0.35147%0.468SS..Hα-helixtrans-66.9-47179.2-157.2166.4000111.1L498 A838 I839 T840 Q844 L845 L846L498-L842 HydrophobicContact CD1-CD1 3.67Å; L498-L842 HydrophobicContact CD1-CD2 3.36Å; L498-L842 HydrophobicContact CD1-CG 4.17Å; L498-L842 HydrophobicContact CD2-CD1 4.44Å; L498-L842 HydrophobicContact CD2-CD2 4.33Å; L498-L842 HydrophobicContact CG-CD1 4.13Å; L498-L842 HydrophobicContact CG-CD2 4.35Å; A838-L842 PolarHBondContact O-N 3.16Å; I839-L842 PolarHBondContact O-N 2.85Å; T840-L842 VanDerWaalsContact C-N 3.3Å; T840-L842 PolarHBondContact O-N 2.91Å; L842-Q844 PolarHBondContact O-N 2.88Å; L842-L845 WeakPolarHBondContact O-CB 3.47Å; L842-L845 PolarHBondContact O-N 3.04Å; L842-L845 VanDerWaalsContact O-N 3.07Å; L842-L846 HydrophobicContact CD2-CD1 3.38Å; L842-L846 HydrophobicContact CD2-CG 3.83Å; L842-L846 PolarHBondContact O-N 3.09Å; L842-L846 VanDerWaalsContact O-N 3.12Å
843I78.9Confident66.6Low9 Ų993.5 Ų93.55%0.04650%0.495CS..Hα-helixtrans-61.5-36178-66.8170.8000111.1L662 I664 L773 Y776 I777 I839 T840 L845 L846 S847L662-I843 HydrophobicContact CD2-CD1 4.35Å; L662-I843 HydrophobicContact CD2-CG1 4.09Å; I664-I843 HydrophobicContact CD1-CG2 4.25Å; L773-I843 HydrophobicContact CD1-CD1 4.09Å; L773-I843 HydrophobicContact CD1-CG2 4.14Å; L773-I843 HydrophobicContact CD2-CG2 4.07Å; Y776-I843 HydrophobicContact CE1-CD1 4.48Å; I777-I843 HydrophobicContact CD1-CD1 3.89Å; I777-I843 HydrophobicContact CG1-CD1 3.67Å; I839-I843 HydrophobicContact CG2-CD1 3.88Å; I839-I843 WeakPolarHBondContact O-CG1 3.44Å; I839-I843 PolarHBondContact O-N 2.81Å; I839-I843 VanDerWaalsContact O-N 3.08Å; T840-I843 PolarHBondContact O-N 3.04Å; I843-L845 VanDerWaalsContact C-N 3.31Å; I843-L845 PolarHBondContact O-N 3.07Å; I843-L846 PolarHBondContact O-N 3.3Å; I843-S847 PolarHBondContact O-N 2.9Å
844Q75Confident64.3Low144 Ų14497 Ų9767%0.67351%0.514SS*.Hα-helixtrans-64.2-33.9175.7-171.1173-4.700112.8T840 N841 L842T840-Q844 PolarHBondContact O-N 3.42Å; N841-Q844 PolarHBondContact O-N 3.29Å; L842-Q844 PolarHBondContact O-N 2.88Å
845L69.7Low62.1Low154 Ų15498.5 Ų98.581%0.80652%0.517SS*.Hα-helixtrans-72.9-28.5174-69170.2000113N841 L842 I843N841-L845 WeakPolarHBondContact O-CG 3.45Å; N841-L845 PolarHBondContact O-N 3.2Å; L842-L845 WeakPolarHBondContact O-CB 3.47Å; L842-L845 PolarHBondContact O-N 3.04Å; L842-L845 VanDerWaalsContact O-N 3.07Å; I843-L845 VanDerWaalsContact C-N 3.31Å; I843-L845 PolarHBondContact O-N 3.07Å
846L64.9Low60.4Low57 Ų57100.3 Ų100.330%0.29853%0.534SS..Hα-helixtrans-82.6-17.6177.8-67.8176.2000113.4I495 L498 I664 L842 I843 P848I495-L846 HydrophobicContact CD1-CD2 3.67Å; L498-L846 HydrophobicContact CD1-CD1 4.36Å; I664-L846 HydrophobicContact CD1-CB 3.77Å; L842-L846 HydrophobicContact CD2-CD1 3.38Å; L842-L846 HydrophobicContact CD2-CG 3.83Å; L842-L846 PolarHBondContact O-N 3.09Å; L842-L846 VanDerWaalsContact O-N 3.12Å; I843-L846 PolarHBondContact O-N 3.3Å; L846-P848 WeakPolarHBondContact O-CD 3.28Å
847S60.3Low58.8Low56 Ų56100.8 Ų100.839%0.39254%0.543SS..SBendtrans-72.4121177.7-167.80000110.5I843 N849I843-S847 PolarHBondContact O-N 2.9Å; S847-N849 PolarHBondContact O-N 3.26Å
848P53.5Low57.1Low98 Ų98100.2 Ų100.264%0.63654%0.541SS*.  trans-77.885-172.430.8-34000111.5L846L846-P848 WeakPolarHBondContact O-CD 3.28Å
849N41.9Very low55.6Low152 Ų152103.1 Ų103.181%0.81355%0.552SS**  trans-77.7136.5157.8-83.2-14.3000109.9S847 L851S847-N849 PolarHBondContact O-N 3.26Å; N849-L851 PolarHBondContact O-N 3.25Å
850S30.1Very low54.3Low103 Ų103106.8 Ų106.872%0.7257%0.571SS**  trans-64.9122.9-155.367.60000115.9
851L33.8Very low53.2Low140 Ų140105.7 Ų105.773%0.73356%0.564SS**  trans-114.3108.9148.3-78.5148.9000108.4K490 N849K490-L851 PolarHBondContact NZ-O 3.24Å; N849-L851 PolarHBondContact O-N 3.25Å
852K28.5Very low52.4Low194 Ų194106 Ų10684%0.84357%0.565SS**  trans-82.6130.3160.8-74.5179.1175.8179.40106.1
853L33.1Very low51.5Low121 Ų121107.4 Ų107.463%0.63458%0.577SS**  trans-135.7130165.3-14774.5000108.8F488F488-L853 HydrophobicContact CE1-CB 4.4Å; F488-L853 HydrophobicContact CE1-CD2 3.89Å; F488-L853 HydrophobicContact CE2-CD2 4.09Å; F488-L853 HydrophobicContact CZ-CD2 3.44Å; F488-L853 VanDerWaalsContact CZ-CD2 3.44Å
854D35Very low50.9Low148 Ų148113 Ų11379%0.79160%0.597SS**  trans-81.6162.4-169.5-75.8-46.9000114.2
855Q35.8Very low50.5Low144 Ų144106.1 Ų106.167%0.67357%0.565SS**  trans-53.3131.6-170.1-59.7178.51.200117.1
856P45.7Very low50.4Low94 Ų94103.3 Ų103.361%0.6155%0.548SS*.  trans-131.57.8139.736.1-22.6000114.9K858P856-K858 PolarHBondContact O-N 2.62Å
857D51.6Low50.5Low105 Ų105106 Ų10656%0.56156%0.558SS**THydrogen-bonded Turntrans-73.9-14.8-165.4-61.2-30000116.1V859 I860D857-V859 PolarHBondContact O-N 2.96Å; D857-I860 PolarHBondContact O-N 3.28Å
858K50Low50.9Low127 Ų127104.1 Ų104.155%0.55254%0.543SS*.Hα-helixtrans-65.5-29.5-170.3-73.9173.7176.31610115.1P856P856-K858 PolarHBondContact O-N 2.62Å
859V51.2Low51.6Low116 Ų11699.5 Ų99.570%0.70351%0.513SS*.Hα-helixtrans-82.3-32.7-174.5-177.60000111.8D857 N861D857-V859 PolarHBondContact O-N 2.96Å; V859-N861 VanDerWaalsContact C-N 3.34Å; V859-N861 PolarHBondContact O-N 2.94Å
860I56.3Low52.8Low85 Ų8595.7 Ų95.744%0.43649%0.493SS..Hα-helixtrans-70.2-34.3-176.7-61.3169.8000110.6D857 L862 T863 R864D857-I860 PolarHBondContact O-N 3.28Å; I860-L862 PolarHBondContact O-N 3.48Å; I860-T863 PolarHBondContact O-OG1 3.18Å; I860-R864 WeakPolarHBondContact O-CG 3.44Å; I860-R864 PolarHBondContact O-N 3.28Å
861N61.2Low54.6Low25 Ų2597.4 Ų97.413%0.13449%0.487CS..Hα-helixtrans-68.7-35.3-177.1-686.3000113V859 R864 L865 N946V859-N861 VanDerWaalsContact C-N 3.34Å; V859-N861 PolarHBondContact O-N 2.94Å; N861-R864 PolarHBondContact O-N 2.81Å; N861-L865 WeakPolarHBondContact O-CB 3.44Å; N861-L865 PolarHBondContact O-N 2.71Å; N861-N946 PolarHBondContact ND2-OD1 2.86Å; N861-N946 VanDerWaalsContact ND2-OD1 3.12Å
862L63.1Low56.3Low86 Ų8693.5 Ų93.545%0.4546%0.463SS..Hα-helixtrans-71.6-38.8-176.8-167.167.1000112.5I860 L865 H866I860-L862 PolarHBondContact O-N 3.48Å; L862-L865 PolarHBondContact O-N 3.33Å; L862-H866 PolarHBondContact O-N 3.46Å
863T61.9Low58.2Low98 Ų9884.6 Ų84.660%0.60142%0.424SS*.Hα-helixtrans-66.4-38.1174.238.40000112.5I860 H867I860-T863 PolarHBondContact O-OG1 3.18Å; T863-H867 PolarHBondContact O-N 2.93Å
864R65.8Low59.6Low125 Ų12581 Ų8147%0.47241%0.405SS..Hα-helixtrans-63.9-44174.5-74.6179.4178170.6-1.5110.9E430 I860 N861 H867 H868E430-R864 IonicContact OE1-NH1 3.37Å; E430-R864 PolarHBondContact OE1-NH1 3.08Å; I860-R864 WeakPolarHBondContact O-CG 3.44Å; I860-R864 PolarHBondContact O-N 3.28Å; N861-R864 PolarHBondContact O-N 2.81Å; R864-H867 PolarHBondContact O-N 3.35Å; R864-H868 VanDerWaalsContact O-CB 3.29Å; R864-H868 WeakPolarHBondContact O-CB 3.41Å; R864-H868 PolarHBondContact O-N 2.81Å
865L67.9Low61Low0 Ų075.5 Ų75.50%038%0.375CS..Hα-helixtrans-61.4-44.6177.3176.9143.3000112.8L426 N861 L862 H867 H868 L869 Y942L426-L865 HydrophobicContact CD1-CB 4.21Å; N861-L865 WeakPolarHBondContact O-CB 3.44Å; N861-L865 PolarHBondContact O-N 2.71Å; L862-L865 PolarHBondContact O-N 3.33Å; L865-H867 VanDerWaalsContact C-N 3.33Å; L865-H867 PolarHBondContact O-N 3.17Å; L865-H868 WeakPolarHBondContact O-CB 3.29Å; L865-H868 PolarHBondContact O-N 3.19Å; L865-H868 VanDerWaalsContact O-N 3.16Å; L865-L869 HydrophobicContact CD2-CD1 3.42Å; L865-L869 VanDerWaalsContact CD2-CD1 3.42Å; L865-L869 HydrophobicContact CD2-CG 4.05Å; L865-L869 HydrophobicContact CG-CD1 4.04Å; L865-L869 HydrophobicContact CG-CG 4.16Å; L865-L869 WeakPolarHBondContact O-CB 3.46Å; L865-L869 WeakPolarHBondContact O-CG 3.41Å; L865-L869 PolarHBondContact O-N 3.36Å; L865-Y942 HydrophobicContact CD1-CD1 3.27Å; L865-Y942 HydrophobicContact CD1-CD2 3.25Å; L865-Y942 HydrophobicContact CD1-CE1 3.51Å; L865-Y942 HydrophobicContact CD1-CE2 3.49Å; L865-Y942 VanDerWaalsContact CD1-CE2 3.49Å; L865-Y942 HydrophobicContact CD1-CG 3.11Å
866H67.4Low62.7Low96 Ų9668.8 Ų68.844%0.44434%0.344SS..Hα-helixtrans-62.5-42.3-178.9-166.8-65.8000111.7L862 H868 D870L862-H866 PolarHBondContact O-N 3.46Å; H866-H868 VanDerWaalsContact C-N 3.33Å; H866-D870 IonicContact CE1-OD2 3.65Å; H866-D870 PolarHBondContact CE1-OD2 3.24Å; H866-D870 IonicContact ND1-OD2 3.49Å; H866-D870 PolarHBondContact ND1-OD2 2.72Å; H866-D870 WeakPolarHBondContact O-CB 3.4Å; H866-D870 PolarHBondContact O-N 3.47Å
867H65.9Low64.2Low113 Ų11364.7 Ų64.752%0.52332%0.316SS..Hα-helixtrans-66.3-36.2175.2-173.168.8000112.5T863 R864 L865 K871T863-H867 PolarHBondContact O-N 2.93Å; R864-H867 PolarHBondContact O-N 3.35Å; L865-H867 VanDerWaalsContact C-N 3.33Å; L865-H867 PolarHBondContact O-N 3.17Å; H867-K871 VanDerWaalsContact CE1-CE 3.41Å; H867-K871 WeakPolarHBondContact CE1-CE 3.2Å; H867-K871 WeakPolarHBondContact NE2-CE 3.29Å; H867-K871 PolarHBondContact NE2-NZ 3.31Å; H867-K871 VanDerWaalsContact NE2-NZ 3.17Å; H867-K871 PolarHBondContact O-N 3.03Å
868H69.2Low65.4Low17 Ų1760 Ų608%0.07929%0.292CS..Hα-helixtrans-67.1-48.8177.3-172.8-92.4000111.8E425 L426 R864 L865 H866 D870 K871 R872 M876E425-H868 IonicContact OE2-CE1 3.89Å; E425-H868 PolarHBondContact OE2-CE1 3.31Å; E425-H868 IonicContact OE2-NE2 3.47Å; E425-H868 PolarHBondContact OE2-NE2 2.95Å; L426-H868 HydrophobicContact CD2-CB 4.45Å; R864-H868 VanDerWaalsContact O-CB 3.29Å; R864-H868 WeakPolarHBondContact O-CB 3.41Å; R864-H868 PolarHBondContact O-N 2.81Å; L865-H868 WeakPolarHBondContact O-CB 3.29Å; L865-H868 PolarHBondContact O-N 3.19Å; L865-H868 VanDerWaalsContact O-N 3.16Å; H866-H868 VanDerWaalsContact C-N 3.33Å; H868-D870 VanDerWaalsContact C-N 3.31Å; H868-D870 PolarHBondContact O-N 3.44Å; H868-K871 PolarHBondContact O-N 3.49Å; H868-R872 PolarHBondContact NE2-NH1 3.49Å; H868-R872 PolarHBondContact O-N 3.03Å; H868-M876 WeakPolarHBondContact CE1-CE 3.23Å
869L69.2Low66.4Low0 Ų054 Ų540%027%0.266CS..Hα-helixtrans-60.5-41.4175.1-71.8-178.1000111.1S422 L865 K871 R872 L873 M876 I935 I938S422-L869 WeakPolarHBondContact OG-CD2 3.48Å; L865-L869 HydrophobicContact CD2-CD1 3.42Å; L865-L869 VanDerWaalsContact CD2-CD1 3.42Å; L865-L869 HydrophobicContact CD2-CG 4.05Å; L865-L869 HydrophobicContact CG-CD1 4.04Å; L865-L869 HydrophobicContact CG-CG 4.16Å; L865-L869 WeakPolarHBondContact O-CB 3.46Å; L865-L869 WeakPolarHBondContact O-CG 3.41Å; L865-L869 PolarHBondContact O-N 3.36Å; L869-K871 PolarHBondContact O-N 2.81Å; L869-R872 PolarHBondContact O-N 3.45Å; L869-L873 HydrophobicContact CD2-CD1 4.38Å; L869-L873 WeakPolarHBondContact O-CB 3.33Å; L869-L873 PolarHBondContact O-N 3.49Å; L869-M876 HydrophobicContact CD2-SD 4.06Å; L869-I935 HydrophobicContact CD1-CG2 4.28Å; L869-I938 HydrophobicContact CD1-CB 4.28Å; L869-I938 HydrophobicContact CD1-CG2 3.74Å; L869-I938 HydrophobicContact CD2-CG2 4.02Å
870D66.8Low67.5Low72 Ų7255.1 Ų55.139%0.38526%0.257SS..Hα-helixtrans-59.6-34.9-179.3-105-28000113.1H866 H868 R931H866-D870 IonicContact CE1-OD2 3.65Å; H866-D870 PolarHBondContact CE1-OD2 3.24Å; H866-D870 IonicContact ND1-OD2 3.49Å; H866-D870 PolarHBondContact ND1-OD2 2.72Å; H866-D870 WeakPolarHBondContact O-CB 3.4Å; H866-D870 PolarHBondContact O-N 3.47Å; H868-D870 VanDerWaalsContact C-N 3.31Å; H868-D870 PolarHBondContact O-N 3.44Å; D870-R931 PolarHBondContact O-NH2 3.01Å; D870-R931 IonicContact OD1-CZ 2.72Å; D870-R931 IonicContact OD1-NH2 3.41Å; D870-R931 PolarHBondContact OD1-NH2 3.39Å
871K67.2Low68.1Low139 Ų13952.5 Ų52.560%0.60424%0.244SC*.Hα-helixtrans-83.6-40.3178.2-67.1-178.4178-175.20113.6H867 H868 L869H867-K871 VanDerWaalsContact CE1-CE 3.41Å; H867-K871 WeakPolarHBondContact CE1-CE 3.2Å; H867-K871 WeakPolarHBondContact NE2-CE 3.29Å; H867-K871 PolarHBondContact NE2-NZ 3.31Å; H867-K871 VanDerWaalsContact NE2-NZ 3.17Å; H867-K871 PolarHBondContact O-N 3.03Å; H868-K871 PolarHBondContact O-N 3.49Å; L869-K871 PolarHBondContact O-N 2.81Å
872R68.7Low68.1Low58 Ų5852 Ų5222%0.21924%0.243CC..Hα-helixtrans-111-0.2-167.7-71.2-168.9176.9148.53.4116.1E425 E429 H868 L869 I874 H875 M876E425-R872 VanDerWaalsContact OE2-CD 3.26Å; E425-R872 WeakPolarHBondContact OE2-CD 3.31Å; E425-R872 IonicContact OE2-CZ 2.87Å; E425-R872 IonicContact OE2-NE 3.94Å; E425-R872 IonicContact OE2-NH1 3.18Å; E425-R872 PolarHBondContact OE2-NH1 3.08Å; E429-R872 IonicContact OE1-CZ 2.81Å; E429-R872 IonicContact OE1-NH1 3.28Å; E429-R872 PolarHBondContact OE1-NH1 3.35Å; E429-R872 VanDerWaalsContact OE1-NH1 3.14Å; E429-R872 IonicContact OE1-NH2 3.82Å; H868-R872 PolarHBondContact NE2-NH1 3.49Å; H868-R872 PolarHBondContact O-N 3.03Å; L869-R872 PolarHBondContact O-N 3.45Å; R872-I874 PolarHBondContact O-N 2.85Å; R872-H875 WeakPolarHBondContact O-CB 3.46Å; R872-H875 PolarHBondContact O-N 2.92Å; R872-M876 HydrophobicContact CB-CE 4.26Å
873L68.4Low67.7Low8 Ų852.4 Ų52.44%0.04224%0.239CC..Hα-helixtrans-52.4-37-176.8-173.172.8000113.9L869 H875 M876 L877 R931 I935 I938L869-L873 HydrophobicContact CD2-CD1 4.38Å; L869-L873 WeakPolarHBondContact O-CB 3.33Å; L869-L873 PolarHBondContact O-N 3.49Å; L873-H875 PolarHBondContact O-N 3.26Å; L873-M876 PolarHBondContact O-N 2.79Å; L873-L877 HydrophobicContact CD1-CD1 4.02Å; L873-L877 HydrophobicContact CD2-CD1 4.46Å; L873-L877 HydrophobicContact CG-CD1 3.93Å; L873-L877 PolarHBondContact O-N 2.86Å; L873-R931 HydrophobicContact CD2-CG 3.78Å; L873-I935 HydrophobicContact CD1-CG1 4.4Å; L873-I935 HydrophobicContact CD2-CD1 4.16Å; L873-I935 HydrophobicContact CD2-CG1 3.8Å; L873-I938 HydrophobicContact CD1-CD1 3.48Å; L873-I938 VanDerWaalsContact CD1-CD1 3.48Å
874I62.8Low67Low44 Ų4452.4 Ų52.423%0.22623%0.233CC..Hα-helixtrans-62.3-30.6179.8-58.6174.6000111.2R872 S882 K885R872-I874 PolarHBondContact O-N 2.85Å; I874-S882 WeakPolarHBondContact O-CB 3.23Å; I874-K885 HydrophobicContact CD1-CD 4.11Å
875H64.3Low65.8Low33 Ų3351.1 Ų51.115%0.15323%0.231CC..Hα-helixtrans-86.8-10.4-175.9-57.9-51000113.8V298 D299 I403 R872 L873V298-H875 HydrophobicContact CG2-CB 3.86Å; V298-H875 PolarHBondContact N-ND1 3.03Å; D299-H875 IonicContact OD2-CE1 3.86Å; I403-H875 WeakPolarHBondContact CD1-O 3.34Å; R872-H875 WeakPolarHBondContact O-CB 3.46Å; R872-H875 PolarHBondContact O-N 2.92Å; L873-H875 PolarHBondContact O-N 3.26Å
876M71.4Confident64.2Low4 Ų458.1 Ų58.12%0.0227%0.268CS..Hα-helixtrans-102.4-22.8-177.2-61.5-177170.600113.3A418 Q421 S422 H868 L869 R872 L873A418-M876 HydrophobicContact CB-CB 3.93Å; Q421-M876 HydrophobicContact CG-CE 4.27Å; Q421-M876 HydrophobicContact CG-CG 4.26Å; S422-M876 WeakPolarHBondContact OG-CE 3.34Å; S422-M876 PolarHBondContact OG-SD 2.91Å; H868-M876 WeakPolarHBondContact CE1-CE 3.23Å; L869-M876 HydrophobicContact CD2-SD 4.06Å; R872-M876 HydrophobicContact CB-CE 4.26Å; L873-M876 PolarHBondContact O-N 2.79Å
877L77.9Confident62.6Low7 Ų757.7 Ų57.74%0.03728%0.276CS..SBendtrans-92.8151.1-176.8-70.8171.1000111.6A414 A418 L873 L881 F934A414-L877 HydrophobicContact CB-CD2 4.44Å; A418-L877 HydrophobicContact CB-CD2 4.23Å; L873-L877 HydrophobicContact CD1-CD1 4.02Å; L873-L877 HydrophobicContact CD2-CD1 4.46Å; L873-L877 HydrophobicContact CG-CD1 3.93Å; L873-L877 PolarHBondContact O-N 2.86Å; L877-L881 HydrophobicContact CB-CB 4.15Å; L877-L881 HydrophobicContact CD2-CD2 4.36Å; L877-F934 HydrophobicContact CD1-CG 4.44Å
878P77Confident61.1Low7 Ų757.2 Ų57.25%0.04527%0.27CS..  trans-52.9148.6173.4-2533.2000112.4I402 E405 A414 R880 L881 S882I402-P878 HydrophobicContact CG2-CG 4.31Å; E405-P878 HydrophobicContact CG-CB 3.99Å; E405-P878 WeakPolarHBondContact OE1-CB 3.32Å; A414-P878 HydrophobicContact CB-CG 3.87Å; P878-R880 PolarHBondContact O-N 2.88Å; P878-R880 VanDerWaalsContact O-N 3.09Å; P878-L881 HydrophobicContact CB-CD1 4.36Å; P878-L881 WeakPolarHBondContact O-CA 3.48Å; P878-L881 PolarHBondContact O-N 2.92Å; P878-S882 PolarHBondContact O-N 3.15Å
879L71.1Confident59.5Low2 Ų262.7 Ų62.71%0.0130%0.296CS..Hα-helixtrans-55.8-35.2-172-77.1173.8000113.5V298 L302 R309 I403 L881 S882 Y883V298-L879 HydrophobicContact CG1-CD2 3.76Å; L302-L879 HydrophobicContact CD1-CD2 4.21Å; L302-L879 HydrophobicContact CD2-CD1 4.48Å; R309-L879 HydrophobicContact CB-CD1 4.22Å; R309-L879 HydrophobicContact CG-CD1 4.36Å; I403-L879 HydrophobicContact CG2-CG 4.42Å; I403-L879 VanDerWaalsContact O-CG 3.28Å; I403-L879 WeakPolarHBondContact O-CG 3.32Å; I403-L879 PolarHBondContact O-N 2.85Å; L879-L881 PolarHBondContact O-N 3.01Å; L879-S882 VanDerWaalsContact CA-OG 3.28Å; L879-S882 WeakPolarHBondContact CA-OG 2.97Å; L879-S882 WeakPolarHBondContact CD2-OG 3.27Å; L879-S882 PolarHBondContact O-N 2.94Å; L879-S882 VanDerWaalsContact O-N 3.14Å; L879-S882 PolarHBondContact O-OG 3.36Å; L879-Y883 HydrophobicContact CB-CD2 3.9Å; L879-Y883 HydrophobicContact CB-CE2 3.89Å; L879-Y883 HydrophobicContact CD1-CE2 4.18Å; L879-Y883 HydrophobicContact CD2-CD2 4.06Å; L879-Y883 HydrophobicContact CD2-CE2 3.55Å; L879-Y883 HydrophobicContact CG-CD2 4.48Å; L879-Y883 HydrophobicContact CG-CE2 4.04Å; L879-Y883 VanDerWaalsContact O-CD2 3.24Å; L879-Y883 WeakPolarHBondContact O-CD2 3.43Å; L879-Y883 PolarHBondContact O-N 3.06Å
880R73.2Confident57.8Low138 Ų13872.2 Ų72.252%0.52134%0.337SS..Hα-helixtrans-57.6-34.4174.1-179177.566.2115.35.3113E405 N411 P878E405-R880 WeakPolarHBondContact OE1-CA 3.39Å; E405-R880 WeakPolarHBondContact OE1-CB 3.12Å; E405-R880 PolarHBondContact OE1-N 3.42Å; N411-R880 PolarHBondContact OD1-NH2 2.65Å; P878-R880 PolarHBondContact O-N 2.88Å; P878-R880 VanDerWaalsContact O-N 3.09Å
881L70.2Confident56.3Low30 Ų3073.5 Ų73.516%0.15735%0.348CS..Hα-helixtrans-87.4-28.3177.8-74.775.4000111.3L877 P878 L879 F934L877-L881 HydrophobicContact CB-CB 4.15Å; L877-L881 HydrophobicContact CD2-CD2 4.36Å; P878-L881 HydrophobicContact CB-CD1 4.36Å; P878-L881 WeakPolarHBondContact O-CA 3.48Å; P878-L881 PolarHBondContact O-N 2.92Å; L879-L881 PolarHBondContact O-N 3.01Å; L881-F934 HydrophobicContact CD2-CE1 3.7Å; L881-F934 HydrophobicContact CD2-CE2 4.09Å; L881-F934 HydrophobicContact CD2-CZ 3.4Å; L881-F934 HydrophobicContact CG-CZ 4.33Å
882S60Low54.6Low15 Ų1571.6 Ų71.611%0.10534%0.343CS..Hα-helixtrans-78.6-32.3-177.781.20000114.8I874 P878 L879 M884I874-S882 WeakPolarHBondContact O-CB 3.23Å; P878-S882 PolarHBondContact O-N 3.15Å; L879-S882 VanDerWaalsContact CA-OG 3.28Å; L879-S882 WeakPolarHBondContact CA-OG 2.97Å; L879-S882 WeakPolarHBondContact CD2-OG 3.27Å; L879-S882 PolarHBondContact O-N 2.94Å; L879-S882 VanDerWaalsContact O-N 3.14Å; L879-S882 PolarHBondContact O-OG 3.36Å; S882-M884 PolarHBondContact O-N 3.08Å
883Y55.5Low52.9Low94 Ų9474.8 Ų74.837%0.36937%0.365SS..  trans-77.339.7-171.1-90.3-70000114.9L302 L879 K885L302-Y883 WeakPolarHBondContact CD1-OH 3.47Å; L879-Y883 HydrophobicContact CB-CD2 3.9Å; L879-Y883 HydrophobicContact CB-CE2 3.89Å; L879-Y883 HydrophobicContact CD1-CE2 4.18Å; L879-Y883 HydrophobicContact CD2-CD2 4.06Å; L879-Y883 HydrophobicContact CD2-CE2 3.55Å; L879-Y883 HydrophobicContact CG-CD2 4.48Å; L879-Y883 HydrophobicContact CG-CE2 4.04Å; L879-Y883 VanDerWaalsContact O-CD2 3.24Å; L879-Y883 WeakPolarHBondContact O-CD2 3.43Å; L879-Y883 PolarHBondContact O-N 3.06Å; Y883-K885 VanDerWaalsContact C-N 3.26Å; Y883-K885 PolarHBondContact O-N 3.26Å
884M47.5Very low51.3Low99 Ų9984.8 Ų84.849%0.48840%0.404SS..  trans-87.78.2172.3-54.9-94.873.400112.2S882 F927S882-M884 PolarHBondContact O-N 3.08Å; M884-F927 HydrophobicContact CB-CD1 4.24Å; M884-F927 HydrophobicContact CE-CD1 4.13Å; M884-F927 HydrophobicContact CE-CE1 3.44Å; M884-F927 VanDerWaalsContact CE-CE1 3.44Å; M884-F927 HydrophobicContact CE-CZ 4.21Å; M884-F927 HydrophobicContact CG-CD1 4.24Å; M884-F927 HydrophobicContact CG-CE1 4.46Å; M884-F927 HydrophobicContact SD-CD1 3.28Å; M884-F927 WeakPolarHBondContact SD-CD1 3.38Å; M884-F927 HydrophobicContact SD-CE1 3.22Å; M884-F927 WeakPolarHBondContact SD-CE1 3.49Å; M884-F927 HydrophobicContact SD-CZ 4.4Å
885K41.3Very low49.8Very low98 Ų9891.7 Ų91.743%0.42643%0.427SS..  trans-95.1-3.6-169.9-140.3-179.4-175.1-178.70116.3I874 Y883 S887I874-K885 HydrophobicContact CD1-CD 4.11Å; Y883-K885 VanDerWaalsContact C-N 3.26Å; Y883-K885 PolarHBondContact O-N 3.26Å; K885-S887 PolarHBondContact O-N 3.1Å
886N33Very low48.4Very low147 Ų147100.4 Ų100.479%0.78646%0.459SS*.THydrogen-bonded Turntrans-76.532-171.8-95.8-1.4000116.5
887S33.7Very low46.6Very low86 Ų86107.6 Ų107.660%0.60150%0.497SS*.THydrogen-bonded Turntrans-138.7-0.9171.6-94.60000116.6K885K885-S887 PolarHBondContact O-N 3.1Å
888Y35.3Very low44.7Very low104 Ų104115.4 Ų115.441%0.40853%0.533SS..SBendtrans-106.8-20.4-164.4-77.9-77.8000117.4M924Y888-M924 HydrophobicContact CE1-CE 3.85Å; Y888-M924 HydrophobicContact CE2-CE 3.61Å; Y888-M924 HydrophobicContact CE2-SD 3.82Å; Y888-M924 VanDerWaalsContact CZ-SD 3.52Å; Y888-M924 WeakPolarHBondContact OH-CE 3.39Å; Y888-M924 VanDerWaalsContact OH-CG 3.32Å; Y888-M924 WeakPolarHBondContact OH-CG 3.17Å; Y888-M924 PolarHBondContact OH-SD 3.1Å
889H35.1Very low42.8Very low132 Ų132123.2 Ų123.261%0.61157%0.567SS**SBendtrans-111.5-1.1-171-84.2-71.1000116.8
890K32.7Very low41.1Very low200 Ų200132.4 Ų132.487%0.8761%0.607SS**SBendtrans-95.3-5.6176.6-111.5-179.1-179.9-1790114.9
891T35.3Very low39.1Very low99 Ų99133.2 Ų133.261%0.60762%0.621SS**SBendtrans-126.9-11.8-170.649.60000115.2
892L32.4Very low37.5Very low98 Ų98139.3 Ų139.351%0.51365%0.654SS.*SBendtrans-94.7-29.4-179.2-110.389.5000114.9Y894 R895L892-Y894 VanDerWaalsContact C-N 3.27Å; L892-Y894 PolarHBondContact O-N 3.19Å; L892-R895 PolarHBondContact O-N 3.45Å
893D33.5Very low36.3Very low125 Ų125144.6 Ų144.667%0.66869%0.686SS**THydrogen-bonded Turntrans-74.1-13-176.3-76.8-17.1000114.1
894Y34Very low35.4Very low218 Ų218147.1 Ų147.186%0.85571%0.705SS**THydrogen-bonded Turntrans-85.5-4.3174.1-89.6-81.4000114.4L892L892-Y894 VanDerWaalsContact C-N 3.27Å; L892-Y894 PolarHBondContact O-N 3.19Å
895R31.2Very low34.8Very low189 Ų189149.8 Ų149.871%0.71372%0.718SS**SBendtrans-120-6-165.9-147.8173.2159.5149-1.9115.3L892L892-R895 PolarHBondContact O-N 3.45Å
896W34.4Very low34.4Very low217 Ų217153.4 Ų153.482%0.82273%0.734SS**SBendtrans-94.2-13.6-179.8-89.259.6000114.9
897D33.6Very low34.7Very low155 Ų155154.9 Ų154.983%0.82974%0.736SS**THydrogen-bonded Turntrans-91.35.3-179.3-76.5-25.1000115
898H39.2Very low34.5Very low170 Ų170156.4 Ų156.479%0.78775%0.746SS**THydrogen-bonded Turntrans-117.214.7-176.3-99.5-58.4000116.1
899F35.8Very low34.5Very low172 Ų172155.2 Ų155.275%0.75477%0.766SS**  trans-117.521.5-176.8-93.7-79.6000115.5
900K35.5Very low34.6Very low195 Ų195155.1 Ų155.185%0.84877%0.774SS**SBendtrans-113.483.2164.1-78.7-178.7176.3176.70108.2
901D32.8Very low34.7Very low155 Ų155152.8 Ų152.883%0.82977%0.771SS**  trans174.6151.7148.6-83.9-22.2000107.7
902D35Very low34.8Very low157 Ų157153.2 Ų153.284%0.8478%0.775SS**  trans89.775.3176.4-59.3-15.3000118.4
903T36Very low34.8Very low126 Ų126155.6 Ų155.677%0.77379%0.788SS**  trans-46.2126.3136.847.10000112.8
904L35.8Very low34.9Very low147 Ų147158.3 Ų158.377%0.7780%0.796SS**  154.2133.9128.9-84.4163.5000113.9
905M35.7Very low35.1Very low155 Ų155155.8 Ų155.876%0.76480%0.798SS**  trans83104.1152.7-63.7-64.7121.200121
906K33.2Very low35.3Very low174 Ų174156 Ų15676%0.75780%0.804SS**  trans-30.8139.1147.7-63.5166.1175176.70114
907H37.7Very low35.3Very low179 Ų179150.8 Ų150.883%0.82980%0.798SS**  -175.9139.7106.1-95.3-70.5000112
908S30.5Very low35.3Very low118 Ų118148 Ų14883%0.82579%0.788SS**  trans-70.6140.7-179.549.90000114.2
909G34.9Very low35.1Very low79 Ų79147 Ų14781%0.81479%0.787SS**  trans-164.7120.3164.500000110.4
910T38.1Very low35.2Very low129 Ų129147 Ų14779%0.79178%0.783SS**  trans-85.8140.4-166.337.60000115.6
911L33.6Very low35.5Very low152 Ų152141.8 Ų141.880%0.79677%0.772SS**  trans68.2160151-87.393.6000119.5
912P37.3Very low36Very low108 Ų108137.5 Ų137.570%0.70175%0.754SS**  cis-135.4159.9-2.628-5.4000116.8
913N33.1Very low36.5Very low147 Ų147135 Ų13579%0.78674%0.736SS**  trans6.2105.8148.5-65.2-19.5000119.2
914H36.6Very low36.5Very low182 Ų182131.1 Ų131.184%0.84371%0.71SS**  -17496.4126.6-101.9-67.2000107.2
915D36.8Very low36.7Very low166 Ų166128.9 Ų128.989%0.88870%0.699SS**  trans-159.8115.1148-91.1-31.6000108.6
916K35.7Very low37.7Very low194 Ų194127 Ų12784%0.84369%0.688SS**PPolyproline II helixtrans-51.1132.3175.6-86.6166.9170.7170.20109.3
917P33.6Very low38.8Very low107 Ų107121.7 Ų121.770%0.69567%0.665SS**PPolyproline II helixtrans-63.2140.8165.830.1-31.3000107.3
918P34Very low39.9Very low95 Ų95117.3 Ų117.362%0.61765%0.647SS**PPolyproline II helixtrans-65.3150.6-174.232.6-36.8000109.1Y920P918-Y920 HydrophobicContact CB-CD2 3.87Å; P918-Y920 HydrophobicContact CB-CE2 4.31Å; P918-Y920 HydrophobicContact CG-CD2 4.33Å; P918-Y920 PolarHBondContact O-N 3.24Å
919I36.1Very low41.7Very low149 Ų149118 Ų11876%0.76464%0.638SS**THydrogen-bonded Turntrans-64.224.6-169-65.8166.1000114.1
920Y37.2Very low43.4Very low173 Ų173117.5 Ų117.568%0.67862%0.619SS**THydrogen-bonded Turntrans-99.5-1.9-172.2-66.1-76.6000115.6P918 M924P918-Y920 HydrophobicContact CB-CD2 3.87Å; P918-Y920 HydrophobicContact CB-CE2 4.31Å; P918-Y920 HydrophobicContact CG-CD2 4.33Å; P918-Y920 PolarHBondContact O-N 3.24Å; Y920-M924 WeakPolarHBondContact O-CG 3.46Å
921S42.7Very low45.1Very low86 Ų86115 Ų11560%0.60160%0.595SS**Hα-helixtrans-85.2-28.6-176.966.90000115.4M924 N925S921-M924 PolarHBondContact O-N 2.65Å; S921-N925 PolarHBondContact O-N 3.1Å
922S42.8Very low47.1Very low65 Ų65111.5 Ų111.546%0.45558%0.577SS.*Hα-helixtrans-71-41.4-176.357.20000112.9M924 N925 Q926S922-M924 VanDerWaalsContact C-N 3.31Å; S922-M924 PolarHBondContact O-N 2.73Å; S922-N925 PolarHBondContact O-N 2.74Å; S922-Q926 PolarHBondContact O-N 3.31Å
923H44.8Very low49.2Very low103 Ų103111.6 Ų111.648%0.47757%0.568SS.*Hα-helixtrans-62-39.3176.9-78.7-68.4000111.4N925 Q926 F927H923-N925 PolarHBondContact O-N 2.82Å; H923-Q926 PolarHBondContact O-N 3.43Å; H923-F927 VanDerWaalsContact C-CD2 3.49Å; H923-F927 HydrophobicContact CB-CE2 3.77Å; H923-F927 HydrophobicContact CB-CZ 4.21Å; H923-F927 WeakPolarHBondContact O-CD2 3.48Å; H923-F927 WeakPolarHBondContact O-CE2 3.27Å; H923-F927 VanDerWaalsContact O-CG 3.24Å; H923-F927 WeakPolarHBondContact O-CG 3.45Å; H923-F927 PolarHBondContact O-N 2.65Å; H923-F927 VanDerWaalsContact O-N 3.1Å
924M35.8Very low51.5Low46 Ų46106.1 Ų106.123%0.22754%0.537CS..Hα-helixtrans-64.3-39.1179.9-57.5-37.8-165.800113.2Y888 Y920 S921 S922 F927 I928Y888-M924 HydrophobicContact CE1-CE 3.85Å; Y888-M924 HydrophobicContact CE2-CE 3.61Å; Y888-M924 HydrophobicContact CE2-SD 3.82Å; Y888-M924 VanDerWaalsContact CZ-SD 3.52Å; Y888-M924 WeakPolarHBondContact OH-CE 3.39Å; Y888-M924 VanDerWaalsContact OH-CG 3.32Å; Y888-M924 WeakPolarHBondContact OH-CG 3.17Å; Y888-M924 PolarHBondContact OH-SD 3.1Å; Y920-M924 WeakPolarHBondContact O-CG 3.46Å; S921-M924 PolarHBondContact O-N 2.65Å; S922-M924 VanDerWaalsContact C-N 3.31Å; S922-M924 PolarHBondContact O-N 2.73Å; M924-F927 PolarHBondContact O-N 2.92Å; M924-F927 HydrophobicContact SD-CD2 3.8Å; M924-F927 HydrophobicContact SD-CE2 4.01Å; M924-I928 WeakPolarHBondContact O-CG1 3.45Å; M924-I928 PolarHBondContact O-N 3.44Å; M924-I928 VanDerWaalsContact O-N 3.1Å
925N41.4Very low53.6Low99 Ų9997.7 Ų97.753%0.52950%0.498SS..Hα-helixtrans-68.4-37.4177.3-80.9-19.1000112.8S921 S922 H923 F927 I928 Q929S921-N925 PolarHBondContact O-N 3.1Å; S922-N925 PolarHBondContact O-N 2.74Å; H923-N925 PolarHBondContact O-N 2.82Å; N925-F927 VanDerWaalsContact C-N 3.31Å; N925-F927 PolarHBondContact O-N 3.34Å; N925-I928 PolarHBondContact O-N 2.8Å; N925-Q929 WeakPolarHBondContact O-CB 3.27Å; N925-Q929 VanDerWaalsContact O-CG 3.26Å; N925-Q929 WeakPolarHBondContact O-CG 3.2Å; N925-Q929 PolarHBondContact O-N 2.79Å
926Q55.8Low55.7Low116 Ų11696.5 Ų96.554%0.54249%0.487SS..Hα-helixtrans-64.7-36.8174-71.6-178.9-10.500111.8S922 H923 T930S922-Q926 PolarHBondContact O-N 3.31Å; H923-Q926 PolarHBondContact O-N 3.43Å; Q926-T930 WeakPolarHBondContact O-CB 3.42Å; Q926-T930 WeakPolarHBondContact O-CG2 3.09Å; Q926-T930 PolarHBondContact O-N 3.3Å; Q926-T930 PolarHBondContact O-OG1 3.24Å
927F56.5Low58Low62 Ų6290.4 Ų90.427%0.27246%0.462SS..Hα-helixtrans-65.5-42.6176.3-62.2-44.6000112.7M884 H923 M924 N925 T930 R931M884-F927 HydrophobicContact CB-CD1 4.24Å; M884-F927 HydrophobicContact CE-CD1 4.13Å; M884-F927 HydrophobicContact CE-CE1 3.44Å; M884-F927 VanDerWaalsContact CE-CE1 3.44Å; M884-F927 HydrophobicContact CE-CZ 4.21Å; M884-F927 HydrophobicContact CG-CD1 4.24Å; M884-F927 HydrophobicContact CG-CE1 4.46Å; M884-F927 HydrophobicContact SD-CD1 3.28Å; M884-F927 WeakPolarHBondContact SD-CD1 3.38Å; M884-F927 HydrophobicContact SD-CE1 3.22Å; M884-F927 WeakPolarHBondContact SD-CE1 3.49Å; M884-F927 HydrophobicContact SD-CZ 4.4Å; H923-F927 VanDerWaalsContact C-CD2 3.49Å; H923-F927 HydrophobicContact CB-CE2 3.77Å; H923-F927 HydrophobicContact CB-CZ 4.21Å; H923-F927 WeakPolarHBondContact O-CD2 3.48Å; H923-F927 WeakPolarHBondContact O-CE2 3.27Å; H923-F927 VanDerWaalsContact O-CG 3.24Å; H923-F927 WeakPolarHBondContact O-CG 3.45Å; H923-F927 PolarHBondContact O-N 2.65Å; H923-F927 VanDerWaalsContact O-N 3.1Å; M924-F927 PolarHBondContact O-N 2.92Å; M924-F927 HydrophobicContact SD-CD2 3.8Å; M924-F927 HydrophobicContact SD-CE2 4.01Å; N925-F927 VanDerWaalsContact C-N 3.31Å; N925-F927 PolarHBondContact O-N 3.34Å; F927-T930 WeakPolarHBondContact CA-OG1 3.48Å; F927-T930 PolarHBondContact O-OG1 3.03Å; F927-R931 VanDerWaalsContact O-CB 3.3Å; F927-R931 WeakPolarHBondContact O-CB 3.3Å; F927-R931 PolarHBondContact O-N 3.25Å
928I60.6Low60.4Low88 Ų8885.3 Ų85.345%0.45143%0.429SS..Hα-helixtrans-67.8-42.1178.3-65.2165.7000110.5M924 N925 R931 N932M924-I928 WeakPolarHBondContact O-CG1 3.45Å; M924-I928 PolarHBondContact O-N 3.44Å; M924-I928 VanDerWaalsContact O-N 3.1Å; N925-I928 PolarHBondContact O-N 2.8Å; I928-R931 PolarHBondContact O-N 3.05Å; I928-N932 WeakPolarHBondContact O-CB 3.15Å; I928-N932 PolarHBondContact O-N 3.06Å; I928-N932 PolarHBondContact O-ND2 3.02Å
929Q67.4Low62.7Low133 Ų13381.8 Ų81.862%0.62141%0.406SS*.Hα-helixtrans-63.4-46.3178-74174.30.100112.3N925 N932 H933N925-Q929 WeakPolarHBondContact O-CB 3.27Å; N925-Q929 VanDerWaalsContact O-CG 3.26Å; N925-Q929 WeakPolarHBondContact O-CG 3.2Å; N925-Q929 PolarHBondContact O-N 2.79Å; Q929-N932 PolarHBondContact O-N 3.45Å; Q929-H933 WeakPolarHBondContact O-CB 3.29Å; Q929-H933 PolarHBondContact O-N 3.38Å
930T71.3Confident65Low68 Ų6878 Ų7842%0.41739%0.392SS..Hα-helixtrans-63.8-43.7177.647.80000111.4Q926 F927 H933 F934Q926-T930 WeakPolarHBondContact O-CB 3.42Å; Q926-T930 WeakPolarHBondContact O-CG2 3.09Å; Q926-T930 PolarHBondContact O-N 3.3Å; Q926-T930 PolarHBondContact O-OG1 3.24Å; F927-T930 WeakPolarHBondContact CA-OG1 3.48Å; F927-T930 PolarHBondContact O-OG1 3.03Å; T930-H933 WeakPolarHBondContact O-CB 3.31Å; T930-H933 PolarHBondContact O-N 3.28Å; T930-F934 WeakPolarHBondContact O-CD2 3.34Å; T930-F934 PolarHBondContact O-N 3.26Å
931R74.4Confident67.1Low76 Ų7670.7 Ų70.729%0.28737%0.365SS..Hα-helixtrans-58.2-49.1173.9178.1177.4167.4110.7-2.4112.3D870 L873 F927 I928 H933 F934 I935D870-R931 PolarHBondContact O-NH2 3.01Å; D870-R931 IonicContact OD1-CZ 2.72Å; D870-R931 IonicContact OD1-NH2 3.41Å; D870-R931 PolarHBondContact OD1-NH2 3.39Å; L873-R931 HydrophobicContact CD2-CG 3.78Å; F927-R931 VanDerWaalsContact O-CB 3.3Å; F927-R931 WeakPolarHBondContact O-CB 3.3Å; F927-R931 PolarHBondContact O-N 3.25Å; I928-R931 PolarHBondContact O-N 3.05Å; R931-H933 VanDerWaalsContact C-N 3.32Å; R931-H933 PolarHBondContact O-N 3.09Å; R931-F934 PolarHBondContact O-N 3.29Å; R931-I935 HydrophobicContact CG-CD1 3.97Å; R931-I935 WeakPolarHBondContact O-CG1 3.34Å; R931-I935 PolarHBondContact O-N 3.16Å
932N74.4Confident69.1Low78 Ų7866.9 Ų66.942%0.41734%0.338SS..Hα-helixtrans-64.2-38.8-179.6-72.6-17.8000111.9I928 Q929 I935 Q936I928-N932 WeakPolarHBondContact O-CB 3.15Å; I928-N932 PolarHBondContact O-N 3.06Å; I928-N932 PolarHBondContact O-ND2 3.02Å; Q929-N932 PolarHBondContact O-N 3.45Å; N932-I935 PolarHBondContact O-N 3.3Å; N932-Q936 WeakPolarHBondContact O-CG 3.45Å; N932-Q936 PolarHBondContact O-N 3.03Å
933H82.1Confident70.8Confident111 Ų11168.2 Ų68.251%0.51434%0.343SS..Hα-helixtrans-58.8-47173.3177.8-83.7000111.4Q929 T930 R931 I935 Q936 H937Q929-H933 WeakPolarHBondContact O-CB 3.29Å; Q929-H933 PolarHBondContact O-N 3.38Å; T930-H933 WeakPolarHBondContact O-CB 3.31Å; T930-H933 PolarHBondContact O-N 3.28Å; R931-H933 VanDerWaalsContact C-N 3.32Å; R931-H933 PolarHBondContact O-N 3.09Å; H933-I935 PolarHBondContact O-N 3.46Å; H933-Q936 PolarHBondContact O-N 3.43Å; H933-H937 WeakPolarHBondContact O-CB 3.2Å; H933-H937 PolarHBondContact O-N 2.95Å
934F81.5Confident72.6Confident31 Ų3170.5 Ų70.514%0.13635%0.354CS..Hα-helixtrans-60.1-45.4175.5-75.9-62.5000112.3C415 L877 L881 T930 R931 Q936 H937 I938C415-F934 WeakPolarHBondContact SG-CD1 3.44Å; L877-F934 HydrophobicContact CD1-CG 4.44Å; L881-F934 HydrophobicContact CD2-CE1 3.7Å; L881-F934 HydrophobicContact CD2-CE2 4.09Å; L881-F934 HydrophobicContact CD2-CZ 3.4Å; L881-F934 HydrophobicContact CG-CZ 4.33Å; T930-F934 WeakPolarHBondContact O-CD2 3.34Å; T930-F934 PolarHBondContact O-N 3.26Å; R931-F934 PolarHBondContact O-N 3.29Å; F934-Q936 PolarHBondContact O-N 2.94Å; F934-H937 PolarHBondContact O-N 2.88Å; F934-I938 WeakPolarHBondContact O-CB 3.39Å; F934-I938 WeakPolarHBondContact O-CD1 3.02Å; F934-I938 WeakPolarHBondContact O-CG1 3.43Å; F934-I938 PolarHBondContact O-N 3.32Å
935I81.3Confident74.7Confident6 Ų668.4 Ų68.43%0.03134%0.344CS..Hα-helixtrans-61.4-43.9179.3-67.1168.9000111.4L869 L873 R931 N932 H933 S939L869-I935 HydrophobicContact CD1-CG2 4.28Å; L873-I935 HydrophobicContact CD1-CG1 4.4Å; L873-I935 HydrophobicContact CD2-CD1 4.16Å; L873-I935 HydrophobicContact CD2-CG1 3.8Å; R931-I935 HydrophobicContact CG-CD1 3.97Å; R931-I935 WeakPolarHBondContact O-CG1 3.34Å; R931-I935 PolarHBondContact O-N 3.16Å; N932-I935 PolarHBondContact O-N 3.3Å; H933-I935 PolarHBondContact O-N 3.46Å; I935-S939 WeakPolarHBondContact O-CB 3.12Å; I935-S939 PolarHBondContact O-N 3.36Å; I935-S939 PolarHBondContact O-OG 3.11Å
936Q80.5Confident76.2Confident140 Ų14065.2 Ų65.265%0.65433%0.327SS*.Hα-helixtrans-62.9-44.2176.9-73.6178.1-9.900111.5N932 H933 F934 S939 S940N932-Q936 WeakPolarHBondContact O-CG 3.45Å; N932-Q936 PolarHBondContact O-N 3.03Å; H933-Q936 PolarHBondContact O-N 3.43Å; F934-Q936 PolarHBondContact O-N 2.94Å; Q936-S939 PolarHBondContact O-N 2.97Å; Q936-S940 PolarHBondContact O-N 2.91Å
937H83.5Confident77.1Confident67 Ų6766.7 Ų66.731%0.3134%0.338SS..Hα-helixtrans-66.1-44-179.9-151.7-93.5000111.9H933 F934 S939 S940 I941H933-H937 WeakPolarHBondContact O-CB 3.2Å; H933-H937 PolarHBondContact O-N 2.95Å; F934-H937 PolarHBondContact O-N 2.88Å; H937-S939 VanDerWaalsContact C-N 3.34Å; H937-S939 PolarHBondContact O-N 3.37Å; H937-S940 WeakPolarHBondContact O-CB 3.25Å; H937-S940 PolarHBondContact O-N 2.89Å; H937-I941 WeakPolarHBondContact O-CG1 3.44Å; H937-I941 PolarHBondContact O-N 3.06Å
938I85Confident78.2Confident0 Ų065.8 Ų65.80%034%0.336CS..Hα-helixtrans-61.5-43.4175.5-68.1164.6000110.6C415 A418 A419 L869 L873 F934 S940 I941 Y942C415-I938 HydrophobicContact CB-CG1 4.14Å; A418-I938 HydrophobicContact CB-CD1 3.8Å; A418-I938 HydrophobicContact CB-CG1 4.17Å; A419-I938 HydrophobicContact CB-CG2 4.02Å; L869-I938 HydrophobicContact CD1-CB 4.28Å; L869-I938 HydrophobicContact CD1-CG2 3.74Å; L869-I938 HydrophobicContact CD2-CG2 4.02Å; L873-I938 HydrophobicContact CD1-CD1 3.48Å; L873-I938 VanDerWaalsContact CD1-CD1 3.48Å; F934-I938 WeakPolarHBondContact O-CB 3.39Å; F934-I938 WeakPolarHBondContact O-CD1 3.02Å; F934-I938 WeakPolarHBondContact O-CG1 3.43Å; F934-I938 PolarHBondContact O-N 3.32Å; I938-S940 PolarHBondContact O-N 2.8Å; I938-I941 PolarHBondContact O-N 3.13Å; I938-Y942 WeakPolarHBondContact O-CB 3.49Å; I938-Y942 PolarHBondContact O-N 3.19Å
939S81.9Confident79.2Confident20 Ų2064 Ų6414%0.1433%0.332CS..Hα-helixtrans-63.8-41.6178.7-59.10000111.9I935 Q936 H937 Y942 T943I935-S939 WeakPolarHBondContact O-CB 3.12Å; I935-S939 PolarHBondContact O-N 3.36Å; I935-S939 PolarHBondContact O-OG 3.11Å; Q936-S939 PolarHBondContact O-N 2.97Å; H937-S939 VanDerWaalsContact C-N 3.34Å; H937-S939 PolarHBondContact O-N 3.37Å; S939-Y942 PolarHBondContact O-N 3.06Å; S939-T943 WeakPolarHBondContact O-CG2 3.43Å; S939-T943 PolarHBondContact O-N 3.32Å
940S84.2Confident79.9Confident69 Ų6958 Ų5848%0.48330%0.304SS..Hα-helixtrans-58.3-49.4174.3-177.40000111.3Q936 H937 I938 Y942 T943Q936-S940 PolarHBondContact O-N 2.91Å; H937-S940 WeakPolarHBondContact O-CB 3.25Å; H937-S940 PolarHBondContact O-N 2.89Å; I938-S940 PolarHBondContact O-N 2.8Å; S940-Y942 VanDerWaalsContact C-N 3.35Å; S940-Y942 PolarHBondContact O-N 2.52Å; S940-T943 PolarHBondContact O-N 3.25Å; S940-T943 PolarHBondContact O-OG1 3.18Å
941I81.8Confident80.6Confident20 Ų2056.5 Ų56.510%0.10329%0.293CS..Hα-helixtrans-63.4-41.2178.2-65.3167000111.2C415 L416 A419 H937 I938 T943 Q944 I945C415-I941 HydrophobicContact CB-CD1 3.86Å; L416-I941 HydrophobicContact CD1-CG2 3.64Å; A419-I941 HydrophobicContact CB-CB 4.03Å; A419-I941 HydrophobicContact CB-CG2 3.65Å; H937-I941 WeakPolarHBondContact O-CG1 3.44Å; H937-I941 PolarHBondContact O-N 3.06Å; I938-I941 PolarHBondContact O-N 3.13Å; I941-T943 VanDerWaalsContact C-N 3.3Å; I941-T943 PolarHBondContact O-N 3.08Å; I941-Q944 WeakPolarHBondContact O-CB 3.36Å; I941-Q944 PolarHBondContact O-N 3.21Å; I941-Q944 VanDerWaalsContact O-N 3.1Å; I941-I945 HydrophobicContact CG2-CD1 3.71Å
942Y83Confident81.2Confident6 Ų657.2 Ų57.22%0.02430%0.3CS..Hα-helixtrans-61.1-36-179.4-178.2-91.1000113.2Q423 L426 L865 I938 S939 S940 Q944 I945 N946Q423-Y942 HydrophobicContact CB-CD2 4.35Å; Q423-Y942 HydrophobicContact CB-CE2 3.82Å; Q423-Y942 HydrophobicContact CG-CE2 4.48Å; Q423-Y942 PolarHBondContact OE1-OH 3.09Å; L426-Y942 HydrophobicContact CD1-CE2 4.19Å; L426-Y942 WeakPolarHBondContact CD1-OH 3.36Å; L865-Y942 HydrophobicContact CD1-CD1 3.27Å; L865-Y942 HydrophobicContact CD1-CD2 3.25Å; L865-Y942 HydrophobicContact CD1-CE1 3.51Å; L865-Y942 HydrophobicContact CD1-CE2 3.49Å; L865-Y942 VanDerWaalsContact CD1-CE2 3.49Å; L865-Y942 HydrophobicContact CD1-CG 3.11Å; I938-Y942 WeakPolarHBondContact O-CB 3.49Å; I938-Y942 PolarHBondContact O-N 3.19Å; S939-Y942 PolarHBondContact O-N 3.06Å; S940-Y942 VanDerWaalsContact C-N 3.35Å; S940-Y942 PolarHBondContact O-N 2.52Å; Y942-Q944 PolarHBondContact O-N 3.27Å; Y942-Q944 VanDerWaalsContact O-N 3.09Å; Y942-I945 PolarHBondContact O-N 2.69Å; Y942-N946 HydrophobicContact CE1-CB 4.11Å; Y942-N946 PolarHBondContact O-N 3.14Å; Y942-N946 PolarHBondContact OH-OD1 3.2Å
943T80.1Confident81.8Confident93 Ų9353.5 Ų53.557%0.57128%0.28SS*.Hα-helixtrans-58.7-25.6177.364.20000112.9S939 S940 I941S939-T943 WeakPolarHBondContact O-CG2 3.43Å; S939-T943 PolarHBondContact O-N 3.32Å; S940-T943 PolarHBondContact O-N 3.25Å; S940-T943 PolarHBondContact O-OG1 3.18Å; I941-T943 VanDerWaalsContact C-N 3.3Å; I941-T943 PolarHBondContact O-N 3.08Å
944Q81.9Confident82.2Confident152 Ų15248.7 Ų48.771%0.7126%0.258SS*.Hα-helixtrans-82.5-17.4176.7-55.7178.7-6.200113I941 Y942I941-Q944 WeakPolarHBondContact O-CB 3.36Å; I941-Q944 PolarHBondContact O-N 3.21Å; I941-Q944 VanDerWaalsContact O-N 3.1Å; Y942-Q944 PolarHBondContact O-N 3.27Å; Y942-Q944 VanDerWaalsContact O-N 3.09Å
945I80.3Confident82.6Confident2 Ų248.5 Ų48.51%0.0126%0.258CS..Hα-helixtrans-109.4-18.1-169.3-59.5173.6000112.5L416 A419 L420 Q423 I941 Y942 N947 L948L416-I945 HydrophobicContact CD1-CD1 4.14Å; A419-I945 HydrophobicContact CB-CD1 4.44Å; L420-I945 HydrophobicContact CD2-CD1 3.88Å; L420-I945 HydrophobicContact CD2-CG2 3.87Å; L420-I945 HydrophobicContact CG-CD1 4.08Å; Q423-I945 HydrophobicContact CB-CG2 4.36Å; Q423-I945 HydrophobicContact CG-CG2 4.26Å; I941-I945 HydrophobicContact CG2-CD1 3.71Å; Y942-I945 PolarHBondContact O-N 2.69Å; I945-N947 PolarHBondContact O-N 2.85Å; I945-L948 HydrophobicContact CG2-CD1 4.09Å; I945-L948 WeakPolarHBondContact O-CD1 3.3Å; I945-L948 PolarHBondContact O-N 2.91Å
946N72.4Confident83.1Confident32 Ų3252.1 Ų52.117%0.17127%0.273CS..THydrogen-bonded Turntrans-52.1-18.4-171.5-168.220.4000116Q423 N861 Y942Q423-N946 PolarHBondContact NE2-O 3.46Å; N861-N946 PolarHBondContact ND2-OD1 2.86Å; N861-N946 VanDerWaalsContact ND2-OD1 3.12Å; Y942-N946 HydrophobicContact CE1-CB 4.11Å; Y942-N946 PolarHBondContact O-N 3.14Å; Y942-N946 PolarHBondContact OH-OD1 3.2Å
947N75.8Confident83.7Confident147 Ų14745.5 Ų45.579%0.78624%0.242SC*.THydrogen-bonded Turntrans-85.9-2.2178.4-64.4-14.5000114.6I945I945-N947 PolarHBondContact O-N 2.85Å
948L79.6Confident84.1Confident42 Ų4242.3 Ų42.322%0.2223%0.228CC..  trans-86.5134.3-177.8-77.884.3000111.4Q423 I945 Q952 S953 K956Q423-L948 PolarHBondContact NE2-O 3.44Å; I945-L948 HydrophobicContact CG2-CD1 4.09Å; I945-L948 WeakPolarHBondContact O-CD1 3.3Å; I945-L948 PolarHBondContact O-N 2.91Å; L948-Q952 HydrophobicContact CB-CB 4.24Å; L948-Q952 HydrophobicContact CD2-CB 4.15Å; L948-Q952 HydrophobicContact CG-CB 4.4Å; L948-S953 VanDerWaalsContact CB-OG 3.32Å; L948-S953 WeakPolarHBondContact CB-OG 3.38Å; L948-K956 HydrophobicContact CD2-CB 4.35Å; L948-K956 HydrophobicContact CD2-CD 3.9Å
949S81.3Confident84.4Confident52 Ų5246.1 Ų46.136%0.36425%0.248SC..  trans-61.7162.2168.6610000111.9I951 Q952 S953S949-I951 VanDerWaalsContact C-N 3.3Å; S949-I951 PolarHBondContact O-N 2.75Å; S949-Q952 VanDerWaalsContact N-OE1 3.08Å; S949-Q952 PolarHBondContact O-N 3.37Å; S949-Q952 WeakPolarHBondContact OG-CB 3.28Å; S949-Q952 WeakPolarHBondContact OG-CG 3.37Å; S949-Q952 PolarHBondContact OG-N 3.42Å; S949-Q952 PolarHBondContact OG-OE1 3.41Å; S949-S953 WeakPolarHBondContact O-CB 3.34Å; S949-S953 PolarHBondContact O-N 3.42Å; S949-S953 PolarHBondContact O-OG 2.95Å
950S81.9Confident84.8Confident5 Ų546.2 Ų46.24%0.03525%0.248CC..Hα-helixtrans-51.4-48.6177.9179.10000111.9S953 K954S950-S953 PolarHBondContact O-N 2.84Å; S950-K954 WeakPolarHBondContact O-CG 3.4Å; S950-K954 PolarHBondContact O-N 2.88Å
951I84.7Confident85.2Confident37 Ų3743.5 Ų43.519%0.1923%0.227CC..Hα-helixtrans-70.8-35-178.2-157.7146.9000113.3I384 L388 I391 S949 S953 K954 L955I384-I951 HydrophobicContact CG2-CD1 3.94Å; I384-I951 HydrophobicContact CG2-CG1 4.19Å; I384-I951 HydrophobicContact CG2-CG2 3.74Å; L388-I951 HydrophobicContact CB-CD1 4.46Å; L388-I951 HydrophobicContact CD2-CD1 4.2Å; L388-I951 HydrophobicContact CG-CD1 3.86Å; I391-I951 HydrophobicContact CD1-CD1 4.47Å; I391-I951 HydrophobicContact CD1-CG1 4.43Å; I391-I951 HydrophobicContact CG2-CG1 4.4Å; S949-I951 VanDerWaalsContact C-N 3.3Å; S949-I951 PolarHBondContact O-N 2.75Å; I951-S953 VanDerWaalsContact C-N 3.34Å; I951-K954 PolarHBondContact O-N 3.13Å; I951-L955 WeakPolarHBondContact O-CG 3.21Å; I951-L955 PolarHBondContact O-N 3.49Å
952Q87.4Confident85.6Confident92 Ų9246.1 Ų46.143%0.4324%0.239SC..Hα-helixtrans-68.2-36.4174.8-73.8169.3-33.500111.6L948 S949 L955 K956L948-Q952 HydrophobicContact CB-CB 4.24Å; L948-Q952 HydrophobicContact CD2-CB 4.15Å; L948-Q952 HydrophobicContact CG-CB 4.4Å; S949-Q952 VanDerWaalsContact N-OE1 3.08Å; S949-Q952 PolarHBondContact O-N 3.37Å; S949-Q952 WeakPolarHBondContact OG-CB 3.28Å; S949-Q952 WeakPolarHBondContact OG-CG 3.37Å; S949-Q952 PolarHBondContact OG-N 3.42Å; S949-Q952 PolarHBondContact OG-OE1 3.41Å; Q952-L955 PolarHBondContact O-N 3.03Å; Q952-K956 WeakPolarHBondContact O-CB 3.46Å; Q952-K956 PolarHBondContact O-N 3.38Å
953S87.2Confident85.9Confident0 Ų053.2 Ų53.20%027%0.272CS..Hα-helixtrans-65.7-41.7175.6-590000111.2Q423 L948 S949 S950 I951 K956 Y957Q423-S953 VanDerWaalsContact CG-OG 3.32Å; Q423-S953 WeakPolarHBondContact CG-OG 3.39Å; L948-S953 VanDerWaalsContact CB-OG 3.32Å; L948-S953 WeakPolarHBondContact CB-OG 3.38Å; S949-S953 WeakPolarHBondContact O-CB 3.34Å; S949-S953 PolarHBondContact O-N 3.42Å; S949-S953 PolarHBondContact O-OG 2.95Å; S950-S953 PolarHBondContact O-N 2.84Å; I951-S953 VanDerWaalsContact C-N 3.34Å; S953-K956 PolarHBondContact O-N 3.36Å; S953-Y957 PolarHBondContact O-N 3.3Å
954K90.6Very high86.3Confident10 Ų1049.3 Ų49.34%0.04325%0.247CC..Hα-helixtrans-60.6-45.5172.7-68.6179-171.2-177.20112.3I391 N392 Y395 V424 S950 I951 K956 Y957 I958I391-K954 HydrophobicContact CG2-CB 4.07Å; N392-K954 PolarHBondContact OD1-NZ 2.82Å; Y395-K954 HydrophobicContact CD1-CD 4.14Å; Y395-K954 HydrophobicContact CD1-CG 4Å; Y395-K954 HydrophobicContact CD2-CB 4.27Å; Y395-K954 HydrophobicContact CD2-CG 4.12Å; Y395-K954 HydrophobicContact CE1-CG 4.42Å; Y395-K954 HydrophobicContact CG-CB 4.15Å; Y395-K954 HydrophobicContact CG-CD 4.3Å; Y395-K954 HydrophobicContact CG-CG 3.84Å; V424-K954 HydrophobicContact CG1-CD 4.42Å; V424-K954 VanDerWaalsContact CG1-CE 3.48Å; V424-K954 HydrophobicContact CG1-CG 4.05Å; V424-K954 HydrophobicContact CG2-CG 3.84Å; S950-K954 WeakPolarHBondContact O-CG 3.4Å; S950-K954 PolarHBondContact O-N 2.88Å; I951-K954 PolarHBondContact O-N 3.13Å; K954-K956 PolarHBondContact O-N 3.45Å; K954-Y957 WeakPolarHBondContact O-CB 3.35Å; K954-Y957 PolarHBondContact O-N 3.16Å; K954-I958 WeakPolarHBondContact O-CG1 3.47Å; K954-I958 PolarHBondContact O-N 3.37Å
955L90.9Very high86.3Confident26 Ų2650 Ų5014%0.13625%0.25CS..Hα-helixtrans-62.9-41.9176.3-76.1174000112.5L382 I384 I391 I951 Q952 Y957 I958 N959L382-L955 HydrophobicContact CB-CD2 4.26Å; L382-L955 HydrophobicContact CD1-CD2 4.35Å; I384-L955 HydrophobicContact CD1-CD1 3.78Å; I384-L955 HydrophobicContact CG1-CD1 3.56Å; I391-L955 HydrophobicContact CD1-CD2 3.93Å; I391-L955 HydrophobicContact CD1-CG 4.36Å; I391-L955 HydrophobicContact CG1-CD2 4.04Å; I391-L955 HydrophobicContact CG2-CD2 4.06Å; I391-L955 HydrophobicContact CG2-CG 4.23Å; I951-L955 WeakPolarHBondContact O-CG 3.21Å; I951-L955 PolarHBondContact O-N 3.49Å; Q952-L955 PolarHBondContact O-N 3.03Å; L955-Y957 VanDerWaalsContact C-N 3.3Å; L955-Y957 PolarHBondContact O-N 2.9Å; L955-I958 PolarHBondContact O-N 3.1Å; L955-N959 VanDerWaalsContact O-CG 3.28Å; L955-N959 PolarHBondContact O-N 3.48Å; L955-N959 PolarHBondContact O-OD1 2.63Å
956K91Very high86.3Confident82 Ų8254.7 Ų54.736%0.35727%0.271SS..Hα-helixtrans-63.1-38.6176.2-170.7169.9178.8-177.10111.5L420 L948 Q952 S953 K954 N959 V960L420-K956 HydrophobicContact CD1-CG 4.45Å; L420-K956 HydrophobicContact CD2-CB 4.19Å; L420-K956 HydrophobicContact CD2-CD 4.06Å; L420-K956 HydrophobicContact CD2-CG 4.14Å; L948-K956 HydrophobicContact CD2-CB 4.35Å; L948-K956 HydrophobicContact CD2-CD 3.9Å; Q952-K956 WeakPolarHBondContact O-CB 3.46Å; Q952-K956 PolarHBondContact O-N 3.38Å; S953-K956 PolarHBondContact O-N 3.36Å; K954-K956 PolarHBondContact O-N 3.45Å; K956-N959 PolarHBondContact O-N 3.1Å; K956-V960 WeakPolarHBondContact O-CG2 2.88Å; K956-V960 PolarHBondContact O-N 2.83Å; K956-V960 VanDerWaalsContact O-N 3.12Å
957Y92.3Very high86.9Confident2 Ų254.3 Ų54.31%0.00827%0.268CS..Hα-helixtrans-59-46.7173.5-167.9-74.6000111.8Y395 A398 K399 I402 F417 L420 S953 K954 L955 V960 W961Y395-Y957 AromaticContact CD2-CD1 3.81Å; Y395-Y957 HydrophobicContact CD2-CD1 3.81Å; Y395-Y957 HydrophobicContact CD2-CD2 4.32Å; Y395-Y957 HydrophobicContact CD2-CE1 4.44Å; Y395-Y957 AromaticContact CD2-CG 3.77Å; Y395-Y957 HydrophobicContact CD2-CG 3.77Å; Y395-Y957 AromaticContact CE2-CD1 4Å; Y395-Y957 HydrophobicContact CE2-CD1 4Å; Y395-Y957 AromaticContact CE2-CD2 3.73Å; Y395-Y957 HydrophobicContact CE2-CD2 3.73Å; Y395-Y957 HydrophobicContact CE2-CE1 4.41Å; Y395-Y957 HydrophobicContact CE2-CE2 4.14Å; Y395-Y957 AromaticContact CE2-CG 3.66Å; Y395-Y957 HydrophobicContact CE2-CG 3.66Å; A398-Y957 HydrophobicContact CB-CD1 4.08Å; A398-Y957 HydrophobicContact CB-CE1 3.79Å; K399-Y957 WeakPolarHBondContact CA-OH 3.36Å; I402-Y957 HydrophobicContact CD1-CE1 3.76Å; I402-Y957 VanDerWaalsContact CD1-OH 3.26Å; I402-Y957 WeakPolarHBondContact CD1-OH 3.46Å; F417-Y957 HydrophobicContact CB-CE2 3.78Å; F417-Y957 HydrophobicContact CD1-CD1 4.17Å; F417-Y957 AromaticContact CD1-CD2 3.78Å; F417-Y957 HydrophobicContact CD1-CD2 3.78Å; F417-Y957 AromaticContact CD1-CE1 3.83Å; F417-Y957 HydrophobicContact CD1-CE1 3.83Å; F417-Y957 AromaticContact CD1-CE2 3.44Å; F417-Y957 HydrophobicContact CD1-CE2 3.44Å; F417-Y957 VanDerWaalsContact CD1-CE2 3.44Å; F417-Y957 HydrophobicContact CD1-CG 4.12Å; F417-Y957 AromaticContact CD1-CZ 3.43Å; F417-Y957 VanDerWaalsContact CD1-CZ 3.43Å; F417-Y957 HydrophobicContact CE1-CD1 4.27Å; F417-Y957 HydrophobicContact CE1-CE1 4.08Å; F417-Y957 HydrophobicContact CE1-CE2 4.42Å; F417-Y957 HydrophobicContact CE1-CG 4.49Å; F417-Y957 HydrophobicContact CG-CE2 4.03Å; L420-Y957 HydrophobicContact CB-CD2 3.84Å; L420-Y957 HydrophobicContact CD1-CD2 4.34Å; S953-Y957 PolarHBondContact O-N 3.3Å; K954-Y957 WeakPolarHBondContact O-CB 3.35Å; K954-Y957 PolarHBondContact O-N 3.16Å; L955-Y957 VanDerWaalsContact C-N 3.3Å; L955-Y957 PolarHBondContact O-N 2.9Å; Y957-V960 PolarHBondContact O-N 2.82Å; Y957-W961 WeakPolarHBondContact O-CB 3.39Å; Y957-W961 PolarHBondContact O-N 2.82Å
958I91.6Very high87.3Confident0 Ų048.3 Ų48.30%024%0.241CC..Hα-helixtrans-62.8-45.3178.5-65.7160.5000110.9L382 I391 L394 K954 L955 V960 W961 E962L382-I958 HydrophobicContact CD1-CG2 4.43Å; I391-I958 HydrophobicContact CG2-CD1 4.11Å; L394-I958 HydrophobicContact CB-CD1 4.15Å; L394-I958 HydrophobicContact CD2-CD1 4.02Å; L394-I958 HydrophobicContact CD2-CG1 4.45Å; L394-I958 HydrophobicContact CD2-CG2 3.88Å; L394-I958 HydrophobicContact CG-CD1 4.01Å; L394-I958 HydrophobicContact CG-CG1 4.23Å; L394-I958 HydrophobicContact CG-CG2 4.3Å; K954-I958 WeakPolarHBondContact O-CG1 3.47Å; K954-I958 PolarHBondContact O-N 3.37Å; L955-I958 PolarHBondContact O-N 3.1Å; I958-V960 VanDerWaalsContact C-N 3.31Å; I958-V960 PolarHBondContact O-N 2.85Å; I958-W961 WeakPolarHBondContact O-CA 3.45Å; I958-W961 WeakPolarHBondContact O-CB 3.46Å; I958-W961 PolarHBondContact O-N 2.81Å; I958-E962 HydrophobicContact CG2-CG 4.5Å; I958-E962 PolarHBondContact O-N 3.32Å
959N91.7Very high87.7Confident79 Ų7947.9 Ų47.942%0.42224%0.238SC..Hα-helixtrans-60.4-39179.1-69.4-12.3000112.8L955 K956 Q963L955-N959 VanDerWaalsContact O-CG 3.28Å; L955-N959 PolarHBondContact O-N 3.48Å; L955-N959 PolarHBondContact O-OD1 2.63Å; K956-N959 PolarHBondContact O-N 3.1Å; N959-Q963 WeakPolarHBondContact O-CG 3.34Å; N959-Q963 PolarHBondContact O-N 2.76Å
960V91.5Very high88.1Confident23 Ų2345.6 Ų45.614%0.13922%0.223CC..Hα-helixtrans-69.5-37.1175.6178.30000110.5L416 F417 K956 Y957 I958 Q963L416-V960 HydrophobicContact CD2-CG1 3.98Å; L416-V960 HydrophobicContact CD2-CG2 4.16Å; F417-V960 HydrophobicContact CE1-CB 3.93Å; F417-V960 HydrophobicContact CE1-CG1 3.72Å; F417-V960 HydrophobicContact CE2-CG1 4.27Å; F417-V960 HydrophobicContact CZ-CB 4.17Å; F417-V960 HydrophobicContact CZ-CG1 3.54Å; K956-V960 WeakPolarHBondContact O-CG2 2.88Å; K956-V960 PolarHBondContact O-N 2.83Å; K956-V960 VanDerWaalsContact O-N 3.12Å; Y957-V960 PolarHBondContact O-N 2.82Å; I958-V960 VanDerWaalsContact C-N 3.31Å; I958-V960 PolarHBondContact O-N 2.85Å; V960-Q963 PolarHBondContact O-N 2.86Å
961W92Very high88.4Confident11 Ų1145.9 Ų45.94%0.04222%0.224CC..Hα-helixtrans-66.4-35176.8176.363.8000113.4Y379 L394 A398 F417 Y957 I958 Q963 L964 H967Y379-W961 AromaticContact CE2-CZ3 3.98Å; Y379-W961 HydrophobicContact CE2-CZ3 3.98Å; Y379-W961 AromaticContact CZ-CZ3 3.78Å; Y379-W961 WeakPolarHBondContact OH-CH2 3.45Å; Y379-W961 WeakPolarHBondContact OH-CZ3 3.44Å; L394-W961 HydrophobicContact CD1-CH2 4.41Å; L394-W961 HydrophobicContact CD1-CZ3 3.84Å; L394-W961 HydrophobicContact CG-CZ3 4.5Å; A398-W961 HydrophobicContact CB-CB 4.26Å; A398-W961 HydrophobicContact CB-CD2 3.48Å; A398-W961 VanDerWaalsContact CB-CD2 3.48Å; A398-W961 HydrophobicContact CB-CE3 3.58Å; A398-W961 HydrophobicContact CB-CG 3.79Å; A398-W961 HydrophobicContact CB-CH2 4.44Å; A398-W961 HydrophobicContact CB-CZ2 4.38Å; A398-W961 HydrophobicContact CB-CZ3 4.05Å; F417-W961 HydrophobicContact CE1-CB 4.29Å; F417-W961 HydrophobicContact CZ-CB 4.39Å; Y957-W961 WeakPolarHBondContact O-CB 3.39Å; Y957-W961 PolarHBondContact O-N 2.82Å; I958-W961 WeakPolarHBondContact O-CA 3.45Å; I958-W961 WeakPolarHBondContact O-CB 3.46Å; I958-W961 PolarHBondContact O-N 2.81Å; W961-Q963 VanDerWaalsContact C-N 3.28Å; W961-Q963 PolarHBondContact O-N 3.24Å; W961-L964 WeakPolarHBondContact O-CG 3.44Å; W961-L964 PolarHBondContact O-N 2.87Å; W961-H967 AromaticContact CD2-CE1 3.61Å; W961-H967 AromaticContact CD2-ND1 3.71Å; W961-H967 AromaticContact CE2-CE1 3.66Å; W961-H967 AromaticContact CE2-ND1 3.61Å; W961-H967 AromaticContact CE3-CE1 3.53Å; W961-H967 AromaticContact CH2-CE1 3.6Å; W961-H967 AromaticContact CZ2-CE1 3.65Å; W961-H967 AromaticContact CZ2-ND1 3.92Å; W961-H967 AromaticContact CZ3-CE1 3.55Å; W961-H967 AromaticContact NE1-ND1 3.97Å; W961-H967 PolarHBondContact O-ND1 2.88Å
962E90.5Very high88.7Confident76 Ų7644.1 Ų44.136%0.35522%0.215SC..Hα-helixtrans-66.2-28173.7-74.6176.1-160.700113.2Y379 I958 L964Y379-E962 HydrophobicContact CD2-CG 4.24Å; Y379-E962 WeakPolarHBondContact CD2-OE1 3.5Å; Y379-E962 HydrophobicContact CE2-CG 4.05Å; I958-E962 HydrophobicContact CG2-CG 4.5Å; I958-E962 PolarHBondContact O-N 3.32Å; E962-L964 VanDerWaalsContact C-N 3.27Å; E962-L964 PolarHBondContact O-N 2.81Å
963Q89.6Confident88.8Confident154 Ų15440.5 Ų40.572%0.7220%0.2SC*.THydrogen-bonded Turntrans-77.9-7.4-179.3-70.9173.70.200113.7N959 V960 W961N959-Q963 WeakPolarHBondContact O-CG 3.34Å; N959-Q963 PolarHBondContact O-N 2.76Å; V960-Q963 PolarHBondContact O-N 2.86Å; W961-Q963 VanDerWaalsContact C-N 3.28Å; W961-Q963 PolarHBondContact O-N 3.24Å
964L87.8Confident88.9Confident11 Ų1140.5 Ų40.56%0.05820%0.2CC..SBendtrans-66.8139.6179.6-63.6174.3000111.8N407 V409 F417 W961 E962 F966 H967N407-L964 HydrophobicContact CB-CD1 4.24Å; V409-L964 HydrophobicContact CG2-CD1 4.04Å; V409-L964 HydrophobicContact CG2-CD2 4.31Å; F417-L964 HydrophobicContact CZ-CD1 4.47Å; W961-L964 WeakPolarHBondContact O-CG 3.44Å; W961-L964 PolarHBondContact O-N 2.87Å; E962-L964 VanDerWaalsContact C-N 3.27Å; E962-L964 PolarHBondContact O-N 2.81Å; L964-F966 VanDerWaalsContact C-N 3.29Å; L964-F966 PolarHBondContact O-N 3.24Å; L964-F966 VanDerWaalsContact O-N 3.12Å; L964-H967 HydrophobicContact CB-CB 4.29Å; L964-H967 WeakPolarHBondContact O-CB 3.14Å; L964-H967 PolarHBondContact O-N 3.48Å
965H82.8Confident88.8Confident167 Ų16745.7 Ų45.777%0.77322%0.22SC*.THydrogen-bonded Turntrans-54.3-36.1-173.4-62.591.9000115.6
966F79.8Confident88.6Confident100 Ų10044.5 Ų44.544%0.43921%0.213SC..THydrogen-bonded Turntrans-104.213-179.1-65.9-73000113.1L964 G968 I969L964-F966 VanDerWaalsContact C-N 3.29Å; L964-F966 PolarHBondContact O-N 3.24Å; L964-F966 VanDerWaalsContact O-N 3.12Å; F966-G968 PolarHBondContact O-N 2.79Å; F966-I969 HydrophobicContact CD1-CD1 4.21Å; F966-I969 PolarHBondContact O-N 3.09Å
967H85.4Confident88.4Confident25 Ų2541.9 Ų41.912%0.11620%0.202CC..THydrogen-bonded Turntrans-61.5132.4176.6-17685.3000111Y379 W961 L964 I969Y379-H967 AromaticContact CE2-NE2 3.78Å; W961-H967 AromaticContact CD2-CE1 3.61Å; W961-H967 AromaticContact CD2-ND1 3.71Å; W961-H967 AromaticContact CE2-CE1 3.66Å; W961-H967 AromaticContact CE2-ND1 3.61Å; W961-H967 AromaticContact CE3-CE1 3.53Å; W961-H967 AromaticContact CH2-CE1 3.6Å; W961-H967 AromaticContact CZ2-CE1 3.65Å; W961-H967 AromaticContact CZ2-ND1 3.92Å; W961-H967 AromaticContact CZ3-CE1 3.55Å; W961-H967 AromaticContact NE1-ND1 3.97Å; W961-H967 PolarHBondContact O-ND1 2.88Å; L964-H967 HydrophobicContact CB-CB 4.29Å; L964-H967 WeakPolarHBondContact O-CB 3.14Å; L964-H967 PolarHBondContact O-N 3.48Å; H967-I969 PolarHBondContact O-N 3.39Å
968G82.8Confident87.8Confident20 Ų2043 Ų4321%0.20621%0.209CC..THydrogen-bonded Turntrans66.515.3177.500000115.1F966 Y1111F966-G968 PolarHBondContact O-N 2.79Å; G968-Y1111 PolarHBondContact O-OH 3.46Å
969I88.3Confident87Confident33 Ų3343.7 Ų43.717%0.16921%0.214CC..  trans-98.8114175.4-55.7-179.4000109.5F966 H967 Y1039F966-I969 HydrophobicContact CD1-CD1 4.21Å; F966-I969 PolarHBondContact O-N 3.09Å; H967-I969 PolarHBondContact O-N 3.39Å; I969-Y1039 HydrophobicContact CD1-CD2 4.08Å; I969-Y1039 HydrophobicContact CD1-CE2 3.62Å; I969-Y1039 HydrophobicContact CG1-CE2 4.25Å; I969-Y1039 HydrophobicContact CG2-CD2 4.26Å
970A89.7Confident85.7Confident5 Ų541.4 Ų41.44%0.04120%0.202CC..EExtended strand (participates in β ladder)trans-93.1109.2174.200000110F972 I1033 F1107A970-F972 HydrophobicContact CB-CE2 3.87Å; A970-F972 HydrophobicContact CB-CZ 4.19Å; A970-I1033 PolarHBondContact N-O 2.83Å; A970-I1033 PolarHBondContact O-N 3.26Å; A970-F1107 HydrophobicContact CB-CD1 3.69Å; A970-F1107 HydrophobicContact CB-CE1 3.63Å; A970-F1107 HydrophobicContact CB-CG 4.22Å; A970-F1107 HydrophobicContact CB-CZ 4.12Å
971S89.1Confident84.2Confident10 Ų1040.7 Ų40.77%0.0720%0.198CC..EExtended strand (participates in β ladder)trans-94.9136.9179.1-62.10000112.7Y313 N320 I1031Y313-S971 WeakPolarHBondContact OH-CB 3.5Å; Y313-S971 PolarHBondContact OH-OG 2.91Å; N320-S971 PolarHBondContact ND2-N 3.5Å; N320-S971 VanDerWaalsContact ND2-N 3.11Å; N320-S971 PolarHBondContact ND2-O 3.48Å; S971-I1031 CarbonylContact C-O 3.6Å; S971-I1031 VanDerWaalsContact CA-O 3.25Å; S971-I1031 WeakPolarHBondContact CA-O 3.47Å
972F90.2Very high82Confident0 Ų042.5 Ų42.50%021%0.208CC..EExtended strand (participates in β ladder)trans-130.6149.4177.7-59.3-79.2000111.3N320 A970 S1030 I1031 I1033 V1099 M1103 I1104 F1107N320-F972 HydrophobicContact CB-CD1 4.3Å; N320-F972 HydrophobicContact CB-CE1 3.63Å; N320-F972 HydrophobicContact CB-CZ 3.92Å; A970-F972 HydrophobicContact CB-CE2 3.87Å; A970-F972 HydrophobicContact CB-CZ 4.19Å; F972-S1030 CarbonylContact O-C 3.58Å; F972-S1030 WeakPolarHBondContact O-CA 3.43Å; F972-S1030 WeakPolarHBondContact O-CB 3.33Å; F972-I1031 HydrophobicContact CB-CG2 3.91Å; F972-I1031 PolarHBondContact N-O 2.79Å; F972-I1031 PolarHBondContact O-N 2.8Å; F972-I1033 HydrophobicContact CD2-CD1 4.3Å; F972-I1033 HydrophobicContact CE2-CD1 4.31Å; F972-V1099 HydrophobicContact CD1-CG1 4.03Å; F972-V1099 HydrophobicContact CD1-CG2 4.2Å; F972-V1099 HydrophobicContact CE1-CG1 4.34Å; F972-M1103 HydrophobicContact CE1-CG 4.12Å; F972-M1103 HydrophobicContact CE1-SD 3.79Å; F972-M1103 HydrophobicContact CZ-CG 4.29Å; F972-M1103 HydrophobicContact CZ-SD 4.47Å; F972-I1104 HydrophobicContact CB-CD1 4.11Å; F972-I1104 HydrophobicContact CB-CG1 4.34Å; F972-I1104 HydrophobicContact CD2-CD1 4.48Å; F972-I1104 HydrophobicContact CD2-CG1 3.95Å; F972-I1104 HydrophobicContact CE2-CG1 4.45Å; F972-I1104 HydrophobicContact CG-CD1 4.34Å; F972-I1104 HydrophobicContact CG-CG1 4.03Å; F972-F1107 HydrophobicContact CE1-CE2 4.46Å; F972-F1107 AromaticContact CE2-CD2 3.86Å; F972-F1107 HydrophobicContact CE2-CD2 3.86Å; F972-F1107 HydrophobicContact CE2-CE2 4.28Å; F972-F1107 HydrophobicContact CE2-CG 4.26Å; F972-F1107 AromaticContact CZ-CD2 3.5Å; F972-F1107 HydrophobicContact CZ-CD2 3.5Å; F972-F1107 VanDerWaalsContact CZ-CD2 3.5Å; F972-F1107 AromaticContact CZ-CE2 3.52Å; F972-F1107 HydrophobicContact CZ-CE2 3.52Å; F972-F1107 HydrophobicContact CZ-CG 4.29Å; F972-F1107 HydrophobicContact CZ-CZ 4.29Å
973P90.1Very high80.1Confident17 Ų1742.9 Ų42.911%0.1121%0.213CC..EExtended strand (participates in β ladder)trans-77.4128.917315.2-0.1000110I317 I1097I317-P973 VanDerWaalsContact CG2-CD 3.43Å; I317-P973 HydrophobicContact CG2-CG 3.83Å; P973-I1097 WeakPolarHBondContact CG-O 3.36Å; P973-I1097 PolarHBondContact O-N 3.4Å
974A89.3Confident78.3Confident0 Ų038.5 Ų38.50%020%0.197CC..EExtended strand (participates in β ladder)trans-152.2153.4-179.800000112.5E1029 I1031 I1094 R1095A974-E1029 PolarHBondContact N-O 3.36Å; A974-E1029 CarbonylContact O-C 3.55Å; A974-E1029 PolarHBondContact O-N 3.3Å; A974-I1031 HydrophobicContact CB-CB 4.43Å; A974-I1031 HydrophobicContact CB-CG2 3.94Å; A974-I1094 HydrophobicContact CB-CG2 3.74Å; A974-R1095 CarbonylContact C-O 3.44Å; A974-R1095 WeakPolarHBondContact CA-O 3.19Å; A974-R1095 WeakPolarHBondContact CB-O 2.83Å
975R88.6Confident76.3Confident119 Ų11942.5 Ų42.545%0.44922%0.218SC..EExtended strand (participates in β ladder)trans-92130.9162.2-74.4173.1-172.9167.33.9108.8I1028 R1095 I1097R975-I1028 HydrophobicContact CG-CG1 4.41Å; R975-R1095 HydrophobicContact CB-CB 4.32Å; R975-R1095 PolarHBondContact N-O 3.29Å; R975-R1095 PolarHBondContact O-N 2.95Å; R975-I1097 HydrophobicContact CG-CD1 3.79Å
976I87.5Confident74.7Confident0 Ų040 Ų400%021%0.208CC..EExtended strand (participates in β ladder)trans-116.9127.9-174.3-60.4162.9000108.7V978 S1025 I1031 R1040 W1052 V1092 I1093I976-V978 HydrophobicContact CG2-CG2 4.25Å; I976-S1025 WeakPolarHBondContact O-CB 3.05Å; I976-S1025 PolarHBondContact O-N 3.49Å; I976-I1031 HydrophobicContact CD1-CB 4.37Å; I976-I1031 HydrophobicContact CD1-CD1 3.91Å; I976-R1040 HydrophobicContact CD1-CB 4.24Å; I976-R1040 HydrophobicContact CD1-CG 3.76Å; I976-W1052 HydrophobicContact CG2-CH2 4.28Å; I976-V1092 HydrophobicContact CG2-CG1 3.94Å; I976-I1093 WeakPolarHBondContact CA-O 3.25Å
977E85.4Confident72.9Confident27 Ų2741.8 Ų41.813%0.12622%0.223CC..EExtended strand (participates in β ladder)trans-113.7131.5169.4-57.1-174.7162.700109.1I1024 V1092 I1093 R1095E977-I1024 HydrophobicContact CG-CB 4.43Å; E977-I1024 HydrophobicContact CG-CG1 4.26Å; E977-I1024 HydrophobicContact CG-CG2 4.28Å; E977-I1024 WeakPolarHBondContact OE1-CG2 3.31Å; E977-V1092 CarbonylContact O-C 3.55Å; E977-V1092 WeakPolarHBondContact O-CA 3.4Å; E977-I1093 HydrophobicContact CB-CB 4.25Å; E977-I1093 PolarHBondContact N-O 3.14Å; E977-I1093 PolarHBondContact O-N 2.9Å; E977-R1095 VanDerWaalsContact CD-CZ 3.5Å; E977-R1095 VanDerWaalsContact CD-NH2 3.28Å; E977-R1095 IonicContact OE1-CZ 3.24Å; E977-R1095 IonicContact OE1-NH1 3.97Å; E977-R1095 PolarHBondContact OE1-NH1 3.26Å; E977-R1095 IonicContact OE1-NH2 2.67Å; E977-R1095 PolarHBondContact OE1-NH2 3.32Å; E977-R1095 IonicContact OE2-CZ 2.85Å; E977-R1095 IonicContact OE2-NH1 2.74Å; E977-R1095 PolarHBondContact OE2-NH1 3Å; E977-R1095 IonicContact OE2-NH2 2.72Å; E977-R1095 PolarHBondContact OE2-NH2 2.98Å
978V81.1Confident70.8Confident26 Ų2643.7 Ų43.716%0.15825%0.25CC..EExtended strand (participates in β ladder)trans-109.7131.4174.8-175.10000107.1I976 V980 I1022 S1023 W1052 V1092I976-V978 HydrophobicContact CG2-CG2 4.25Å; V978-V980 HydrophobicContact CG1-CG2 4.05Å; V978-I1022 CarbonylContact O-C 3.52Å; V978-I1022 VanDerWaalsContact O-C 3.29Å; V978-I1022 PolarHBondContact O-N 2.98Å; V978-S1023 PolarHBondContact N-O 3.36Å; V978-W1052 HydrophobicContact CG2-CZ2 4.15Å; V978-V1092 HydrophobicContact CG1-CG2 4.27Å; V978-V1092 HydrophobicContact CG2-CG2 4.3Å
979T73.8Confident68.5Low15 Ų1551.4 Ų51.49%0.09228%0.28CS..EExtended strand (participates in β ladder)trans-123.5127178.362.80000107.6T1021 R1091T979-T1021 HydrophobicContact CG2-CG2 3.51Å; T979-R1091 PolarHBondContact N-O 3.47Å; T979-R1091 PolarHBondContact O-N 3.45Å; T979-R1091 WeakPolarHBondContact OG1-CB 3.44Å; T979-R1091 PolarHBondContact OG1-O 2.9Å
980V65.1Low65.8Low30 Ų3056.5 Ų56.518%0.18231%0.308CS..EExtended strand (participates in β ladder)trans-126.7130.3-174-177.20000107.6V978 L982 T984 I1020 I1022 I1075V978-V980 HydrophobicContact CG1-CG2 4.05Å; V980-L982 PolarHBondContact O-N 2.93Å; V980-T984 HydrophobicContact CG1-CG2 4.45Å; V980-I1020 PolarHBondContact N-O 3.24Å; V980-I1020 VanDerWaalsContact N-O 3.14Å; V980-I1020 PolarHBondContact O-N 2.93Å; V980-I1022 HydrophobicContact CB-CD1 3.57Å; V980-I1022 HydrophobicContact CB-CG1 4.21Å; V980-I1022 HydrophobicContact CG1-CD1 4.17Å; V980-I1022 HydrophobicContact CG2-CD1 3.98Å; V980-I1075 HydrophobicContact CG1-CD1 4.14Å
981P58.7Low63.4Low8 Ų864.3 Ų64.35%0.05235%0.349CS..EExtended strand (participates in β ladder)trans-59.9139.1179.320.1-28.2000111.6N983 T984 I1075 T1088P981-N983 PolarHBondContact O-N 3.46Å; P981-N983 VanDerWaalsContact O-N 3.14Å; P981-T984 WeakPolarHBondContact O-CB 3.2Å; P981-T984 PolarHBondContact O-N 3.47Å; P981-T984 PolarHBondContact O-OG1 2.79Å; P981-I1075 HydrophobicContact CG-CD1 4.42Å; P981-T1088 HydrophobicContact CB-CG2 4.26Å; P981-T1088 HydrophobicContact CG-CG2 3.94Å
982L46.6Very low60.9Low50 Ų5070 Ų7026%0.26238%0.379SS..THydrogen-bonded Turntrans-55.9-33.5-170.6-160151.4000112.7V980 T984 L985 I986 N1018 I1020V980-L982 PolarHBondContact O-N 2.93Å; L982-T984 PolarHBondContact O-N 3.02Å; L982-T984 VanDerWaalsContact O-N 3.17Å; L982-L985 PolarHBondContact O-N 2.98Å; L982-L985 VanDerWaalsContact O-N 3.1Å; L982-I986 HydrophobicContact CD2-CD1 3.23Å; L982-I986 HydrophobicContact CD2-CG1 3.94Å; L982-I986 HydrophobicContact CG-CD1 4.43Å; L982-I986 PolarHBondContact O-N 3.17Å; L982-N1018 WeakPolarHBondContact CB-O 3.36Å; L982-N1018 PolarHBondContact N-O 3.11Å; L982-I1020 HydrophobicContact CB-CD1 4.22Å; L982-I1020 HydrophobicContact CB-CG1 3.85Å; L982-I1020 HydrophobicContact CD1-CD1 3.41Å; L982-I1020 VanDerWaalsContact CD1-CD1 3.41Å; L982-I1020 HydrophobicContact CD1-CG1 3.29Å; L982-I1020 HydrophobicContact CD2-CD1 4.5Å; L982-I1020 HydrophobicContact CG-CD1 3.37Å; L982-I1020 HydrophobicContact CG-CG1 3.47Å; L982-I1020 VanDerWaalsContact CG-CG1 3.47Å
983N49.7Very low58.5Low84 Ų8477.3 Ų77.345%0.44942%0.417SS..Hα-helixtrans-61.7-23.6178.2-69.214.6000113.6P981 L985P981-N983 PolarHBondContact O-N 3.46Å; P981-N983 VanDerWaalsContact O-N 3.14Å; N983-L985 VanDerWaalsContact C-N 3.35Å
984T51.9Low55.9Low62 Ų6284.4 Ų84.438%0.3845%0.454SS..Hα-helixtrans-77.5-22.5178.9-23.10000112.4V980 P981 L982V980-T984 HydrophobicContact CG1-CG2 4.45Å; P981-T984 WeakPolarHBondContact O-CB 3.2Å; P981-T984 PolarHBondContact O-N 3.47Å; P981-T984 PolarHBondContact O-OG1 2.79Å; L982-T984 PolarHBondContact O-N 3.02Å; L982-T984 VanDerWaalsContact O-N 3.17Å
985L46.7Very low53.3Low95 Ų9588 Ų8850%0.49749%0.492SS..Hα-helixtrans-90-30.9179.7-88.1168.4000113.2L982 N983 I1020 I1022L982-L985 PolarHBondContact O-N 2.98Å; L982-L985 VanDerWaalsContact O-N 3.1Å; N983-L985 VanDerWaalsContact C-N 3.35Å; L985-I1020 HydrophobicContact CD1-CD1 4.27Å; L985-I1022 HydrophobicContact CD1-CD1 3.13Å; L985-I1022 HydrophobicContact CD1-CG1 3.65Å; L985-I1022 HydrophobicContact CD2-CD1 3.91Å; L985-I1022 HydrophobicContact CG-CD1 3.49Å; L985-I1022 VanDerWaalsContact CG-CD1 3.49Å
986I48.1Very low50.6Low113 Ų11390.6 Ų90.658%0.57952%0.515SS*.Hα-helixtrans-87.7-20.5-171.6-63.9-167.4000112.6L982 G988L982-I986 HydrophobicContact CD2-CD1 3.23Å; L982-I986 HydrophobicContact CD2-CG1 3.94Å; L982-I986 HydrophobicContact CG-CD1 4.43Å; L982-I986 PolarHBondContact O-N 3.17Å; I986-G988 VanDerWaalsContact C-N 3.32Å; I986-G988 PolarHBondContact O-N 3.14Å
987N43.7Very low48.4Very low138 Ų13895.9 Ų95.974%0.73855%0.552SS**THydrogen-bonded Turntrans-92.422.6-177.3-72.618.8000114
988G41.4Very low45.8Very low66 Ų66102.9 Ų102.968%0.6859%0.59SS**THydrogen-bonded Turntrans-92.2-5.4-177.900000116.8I986I986-G988 VanDerWaalsContact C-N 3.32Å; I986-G988 PolarHBondContact O-N 3.14Å
989E34.1Very low43.7Very low181 Ų181105.3 Ų105.385%0.84662%0.62SS**SBendtrans-1303.9-172.1-82.1-170.6158.800116.6
990N31.3Very low41.7Very low140 Ų140113.1 Ų113.175%0.74966%0.661SS**  trans-133.376.4-177.7-74.8-40000112.6
991D39.2Very low40.1Very low170 Ų170115.1 Ų115.191%0.90969%0.688SS**  trans-96.7108.8158.8-93.9-22.4000110.7
992N35.5Very low38.9Very low130 Ų130124 Ų12470%0.69573%0.729SS**  trans-53.7138173.9-58.7-67.1000114
993N39.9Very low38.3Very low152 Ų152127.1 Ų127.181%0.81375%0.75SS**  -179.8105.6116.8-90.4-28000113.4
994N36.7Very low37.5Very low166 Ų166130.9 Ų130.989%0.88877%0.77SS**  trans36.879.6145.2-68.5-12.4000119.2
995G34.5Very low36.5Very low76 Ų76138.3 Ų138.378%0.78479%0.791SS**  trans-99.9116.1152.100000110.1S997G995-S997 PolarHBondContact O-N 3.4Å
996N32.7Very low36Very low174 Ų174141.6 Ų141.693%0.9381%0.808SS**  trans-50117.9168-120.6-4.2000110.8
997S39.8Very low35.1Very low111 Ų111142.1 Ų142.178%0.77682%0.819SS**  trans171.612613954.40000111.9G995G995-S997 PolarHBondContact O-N 3.4Å
998N31.3Very low34.8Very low174 Ų174139 Ų13993%0.9382%0.819SS**  trans-44.4135.6167.4-65.6-35.2000113.4
999G37Very low34.5Very low77 Ų77144.5 Ų144.579%0.79483%0.83SS**  trans170.7100.2167.100000113.8
1000N31.3Very low34.5Very low179 Ų179143.9 Ų143.996%0.95783%0.832SS**  trans-49.1137.8171-71.9-32.8000113.2
1001G31.6Very low34.5Very low72 Ų72148.7 Ų148.774%0.74284%0.84SS**  trans166.499.4161.300000118.4
1002Q33.5Very low34Very low195 Ų195146 Ų14691%0.91183%0.834SS**  trans68.6104.5144.7-72.1179.7-27.900121.8
1003T34.4Very low33.7Very low114 Ų114145 Ų14570%0.69984%0.837SS**  trans-72.6128.5157.954.20000111.7
1004N32.3Very low33.4Very low164 Ų164143.6 Ų143.688%0.87783%0.834SS**  trans-104.9107.2165.6-97.4-13.6000110.4
1005W31.8Very low33.1Very low217 Ų217144 Ų14482%0.82283%0.833SS**  trans-83.2129.8170.7-73.781.6000109.9P1007W1005-P1007 VanDerWaalsContact O-CD 3.31Å; W1005-P1007 WeakPolarHBondContact O-CD 3.34Å
1006I35.7Very low33.2Very low164 Ų164148.4 Ų148.484%0.84184%0.838SS**  trans-79.5114.4164.6-58.7173.5000107.6
1007P28.6Very low33.5Very low125 Ų125146.9 Ų146.981%0.81283%0.83SS**  trans-85.3132-179.5-1.520.8000110.8W1005W1005-P1007 VanDerWaalsContact O-CD 3.31Å; W1005-P1007 WeakPolarHBondContact O-CD 3.34Å
1008G37.8Very low34.1Very low73 Ų73147 Ų14775%0.75382%0.822SS**  trans152.7-8.8161.400000119.5
1009M36.2Very low35.1Very low181 Ų181144.1 Ų144.189%0.89280%0.803SS**  trans-99.298.8-179.5-99.4158.964.900112R1011M1009-R1011 PolarHBondContact O-N 3.1Å
1010N32.8Very low35.7Very low168 Ų168143.3 Ų143.390%0.89878%0.78SS**  trans-56.3106.1163.5-77.4-29.7000109.3S1012N1010-S1012 PolarHBondContact O-N 3.1Å
1011R31.4Very low36.8Very low241 Ų241139 Ų13991%0.90976%0.76SS**  trans-72.7112.8170.5-74.1-173-175-139.12.1108.8M1009 S1013M1009-R1011 PolarHBondContact O-N 3.1Å; R1011-S1013 PolarHBondContact O-N 3.31Å
1012S29.9Very low37.8Very low112 Ų112138.4 Ų138.478%0.78374%0.739SS**  trans-75.4112.9161.3-174.80000108.2N1010 T1014N1010-S1012 PolarHBondContact O-N 3.1Å; S1012-T1014 PolarHBondContact O-N 2.98Å
1013S29.6Very low38.7Very low109 Ų109131.9 Ų131.976%0.76272%0.715SS**  trans-77.8103.2170.242.80000108.9R1011R1011-S1013 PolarHBondContact O-N 3.31Å
1014T32.3Very low39.8Very low123 Ų123131.3 Ų131.376%0.75571%0.707SS**  trans-175117.4149.120.40000111.1S1012S1012-T1014 PolarHBondContact O-N 2.98Å
1015M29.8Very low41.2Very low175 Ų175124.1 Ų124.186%0.86267%0.669SS**SBendtrans68.2100.4156.6-59.7-149.7134.900120.9N1017M1015-N1017 PolarHBondContact O-N 3.03Å; M1015-N1017 VanDerWaalsContact O-N 3.15Å
1016N36.6Very low43Very low168 Ų168124.9 Ų124.990%0.89867%0.672SS**  trans63.312.5131.8-115.513.5000123.5
1017N40Very low45.2Very low143 Ų143122.5 Ų122.577%0.76566%0.656SS**  trans-115.8102.9178.8-77.7-20.2000114M1015 H1019M1015-N1017 PolarHBondContact O-N 3.03Å; M1015-N1017 VanDerWaalsContact O-N 3.15Å; N1017-H1019 PolarHBondContact O-N 3.41Å
1018N52.2Low47.9Very low113 Ų113119.4 Ų119.460%0.60463%0.632SS**  trans-8026.5178.4-99.65.7000115.1L982L982-N1018 WeakPolarHBondContact CB-O 3.36Å; L982-N1018 PolarHBondContact N-O 3.11Å
1019H52.1Low50.3Low114 Ų114116.4 Ų116.453%0.52860%0.598SS.*EExtended strand (participates in β ladder)trans-109.5123.9-178.3-65.2-65.5000111.6N1017N1017-H1019 PolarHBondContact O-N 3.41Å
1020I49.6Very low52.9Low60 Ų60107.8 Ų107.831%0.30856%0.556SS.*EExtended strand (participates in β ladder)trans-92.3127.7163.7-61.4-170.3000108.2V980 L982 L985 I1022V980-I1020 PolarHBondContact N-O 3.24Å; V980-I1020 VanDerWaalsContact N-O 3.14Å; V980-I1020 PolarHBondContact O-N 2.93Å; L982-I1020 HydrophobicContact CB-CD1 4.22Å; L982-I1020 HydrophobicContact CB-CG1 3.85Å; L982-I1020 HydrophobicContact CD1-CD1 3.41Å; L982-I1020 VanDerWaalsContact CD1-CD1 3.41Å; L982-I1020 HydrophobicContact CD1-CG1 3.29Å; L982-I1020 HydrophobicContact CD2-CD1 4.5Å; L982-I1020 HydrophobicContact CG-CD1 3.37Å; L982-I1020 HydrophobicContact CG-CG1 3.47Å; L982-I1020 VanDerWaalsContact CG-CG1 3.47Å; L985-I1020 HydrophobicContact CD1-CD1 4.27Å; I1020-I1022 HydrophobicContact CB-CG1 4.32Å; I1020-I1022 HydrophobicContact CG2-CG1 3.86Å; I1020-I1022 PolarHBondContact O-N 3.2Å; I1020-I1022 VanDerWaalsContact O-N 3.08Å
1021T53.6Low55.6Low88 Ų8899.8 Ų99.854%0.5451%0.513SS..  trans-77.889.5167.549.90000109.2T979 S1023T979-T1021 HydrophobicContact CG2-CG2 3.51Å; T1021-S1023 PolarHBondContact O-N 3.34Å
1022I53.6Low58.5Low60 Ų6088.3 Ų88.331%0.30847%0.469SS..  trans-82.598.8175.2-46.3172.4000108.5V978 V980 L985 I1020V978-I1022 CarbonylContact O-C 3.52Å; V978-I1022 VanDerWaalsContact O-C 3.29Å; V978-I1022 PolarHBondContact O-N 2.98Å; V980-I1022 HydrophobicContact CB-CD1 3.57Å; V980-I1022 HydrophobicContact CB-CG1 4.21Å; V980-I1022 HydrophobicContact CG1-CD1 4.17Å; V980-I1022 HydrophobicContact CG2-CD1 3.98Å; L985-I1022 HydrophobicContact CD1-CD1 3.13Å; L985-I1022 HydrophobicContact CD1-CG1 3.65Å; L985-I1022 HydrophobicContact CD2-CD1 3.91Å; L985-I1022 HydrophobicContact CG-CD1 3.49Å; L985-I1022 VanDerWaalsContact CG-CD1 3.49Å; I1020-I1022 HydrophobicContact CB-CG1 4.32Å; I1020-I1022 HydrophobicContact CG2-CG1 3.86Å; I1020-I1022 PolarHBondContact O-N 3.2Å; I1020-I1022 VanDerWaalsContact O-N 3.08Å
1023S52.8Low61.4Low57 Ų5783.1 Ų83.140%0.39943%0.433SS..  trans8697.2175.279.60000115.7V978 T1021V978-S1023 PolarHBondContact N-O 3.36Å; T1021-S1023 PolarHBondContact O-N 3.34Å
1024I56.3Low64.3Low102 Ų10278.1 Ų78.152%0.52340%0.398SS..BIsolated β-bridgetrans-82.4107.9151.3-64.2170.1000106.2E977 R1026E977-I1024 HydrophobicContact CG-CB 4.43Å; E977-I1024 HydrophobicContact CG-CG1 4.26Å; E977-I1024 HydrophobicContact CG-CG2 4.28Å; E977-I1024 WeakPolarHBondContact OE1-CG2 3.31Å; I1024-R1026 PolarHBondContact O-N 3.15Å; I1024-R1026 VanDerWaalsContact O-N 3.1Å
1025S63.4Low67Low14 Ų1473.7 Ų73.710%0.09837%0.373CS..  trans-69107.4169.1-174.50000108.9I976 K1027 E1029I976-S1025 WeakPolarHBondContact O-CB 3.05Å; I976-S1025 PolarHBondContact O-N 3.49Å; S1025-K1027 PolarHBondContact O-N 3.11Å; S1025-K1027 PolarHBondContact OG-N 3.23Å; S1025-K1027 PolarHBondContact OG-O 2.81Å; S1025-K1027 VanDerWaalsContact OG-O 3.13Å; S1025-E1029 WeakPolarHBondContact CB-OE1 3.1Å; S1025-E1029 PolarHBondContact OG-OE1 2.97Å
1026R67.7Low69.8Low232 Ų23269.4 Ų69.488%0.87536%0.356SS*.  trans-71.9-19.6170-60.3-173.3-158.7173.76.4111.6I1024I1024-R1026 PolarHBondContact O-N 3.15Å; I1024-R1026 VanDerWaalsContact O-N 3.1Å
1027K83Confident72.4Confident114 Ų11465.3 Ų65.350%0.49633%0.328SS..SBendtrans-79.3140.6-178.9-163-175.4-178.2-166.10109S1025 D1042S1025-K1027 PolarHBondContact O-N 3.11Å; S1025-K1027 PolarHBondContact OG-N 3.23Å; S1025-K1027 PolarHBondContact OG-O 2.81Å; S1025-K1027 VanDerWaalsContact OG-O 3.13Å; K1027-D1042 IonicContact NZ-OD1 3.78Å; K1027-D1042 PolarHBondContact NZ-OD1 2.76Å; K1027-D1042 IonicContact NZ-OD2 3.39Å
1028I85Confident74.9Confident61 Ų6158.7 Ų58.731%0.31329%0.293SS..  trans-76.1126.5169.5-58.2172.2000106.9R975 L1043 I1097R975-I1028 HydrophobicContact CG-CG1 4.41Å; I1028-L1043 HydrophobicContact CB-CD2 4.4Å; I1028-L1043 HydrophobicContact CG2-CD2 4.01Å; I1028-I1097 HydrophobicContact CB-CD1 4.2Å; I1028-I1097 HydrophobicContact CD1-CD1 3.86Å; I1028-I1097 HydrophobicContact CG1-CD1 3.62Å; I1028-I1097 HydrophobicContact CG2-CD1 3.65Å
1029E88.7Confident76.7Confident9 Ų955.2 Ų55.24%0.04227%0.272CS..EExtended strand (participates in β ladder)trans-121.5-177.1179.7-67.2166.2-171.500108.6A974 S1025 R1040 L1049A974-E1029 PolarHBondContact N-O 3.36Å; A974-E1029 CarbonylContact O-C 3.55Å; A974-E1029 PolarHBondContact O-N 3.3Å; S1025-E1029 WeakPolarHBondContact CB-OE1 3.1Å; S1025-E1029 PolarHBondContact OG-OE1 2.97Å; E1029-R1040 VanDerWaalsContact CD-NH2 3.32Å; E1029-R1040 IonicContact OE1-CZ 3.58Å; E1029-R1040 IonicContact OE1-NE 3.45Å; E1029-R1040 IonicContact OE1-NH2 3.04Å; E1029-R1040 PolarHBondContact OE1-NH2 3.41Å; E1029-R1040 IonicContact OE2-CZ 2.71Å; E1029-R1040 VanDerWaalsContact OE2-CZ 3.28Å; E1029-R1040 IonicContact OE2-NE 3.6Å; E1029-R1040 PolarHBondContact OE2-NE 3.09Å; E1029-R1040 IonicContact OE2-NH2 3.99Å; E1029-R1040 PolarHBondContact OE2-NH2 3.28Å; E1029-R1040 VanDerWaalsContact OE2-NH2 3.1Å; E1029-L1049 HydrophobicContact CG-CD1 4.46Å
1030S89.7Confident78.5Confident0 Ų051.7 Ų51.70%025%0.254CS..EExtended strand (participates in β ladder)trans-117.5142.6172.363.70000111Y313 F972 C1041Y313-S1030 WeakPolarHBondContact CE1-OG 3.34Å; Y313-S1030 PolarHBondContact OH-OG 3.4Å; F972-S1030 CarbonylContact O-C 3.58Å; F972-S1030 WeakPolarHBondContact O-CA 3.43Å; F972-S1030 WeakPolarHBondContact O-CB 3.33Å; S1030-C1041 PolarHBondContact N-O 2.84Å; S1030-C1041 PolarHBondContact O-N 2.86Å; S1030-C1041 VanDerWaalsContact O-O 3.13Å; S1030-C1041 VanDerWaalsContact OG-CB 3.32Å; S1030-C1041 WeakPolarHBondContact OG-CB 3.38Å; S1030-C1041 PolarHBondContact OG-O 3.02Å
1031I90.9Very high80.4Confident0 Ų049 Ų490%024%0.24CC..EExtended strand (participates in β ladder)trans-106.3116.9173.3-170.879000108S971 F972 A974 I976 I1033 I1038 Y1039 W1052 I1094 I1104S971-I1031 CarbonylContact C-O 3.6Å; S971-I1031 VanDerWaalsContact CA-O 3.25Å; S971-I1031 WeakPolarHBondContact CA-O 3.47Å; F972-I1031 HydrophobicContact CB-CG2 3.91Å; F972-I1031 PolarHBondContact N-O 2.79Å; F972-I1031 PolarHBondContact O-N 2.8Å; A974-I1031 HydrophobicContact CB-CB 4.43Å; A974-I1031 HydrophobicContact CB-CG2 3.94Å; I976-I1031 HydrophobicContact CD1-CB 4.37Å; I976-I1031 HydrophobicContact CD1-CD1 3.91Å; I1031-I1033 HydrophobicContact CG1-CG1 4.43Å; I1031-I1038 HydrophobicContact CD1-CG2 3.5Å; I1031-I1038 HydrophobicContact CG1-CG2 3.89Å; I1031-Y1039 CarbonylContact C-O 3.58Å; I1031-Y1039 WeakPolarHBondContact CA-O 3.23Å; I1031-W1052 HydrophobicContact CD1-CZ3 4.12Å; I1031-I1094 HydrophobicContact CD1-CD1 3.91Å; I1031-I1094 HydrophobicContact CG1-CD1 4.11Å; I1031-I1094 HydrophobicContact CG2-CG2 4.31Å; I1031-I1104 HydrophobicContact CG2-CD1 4.12Å
1032G90.9Very high82Confident0 Ų045.5 Ų45.50%022%0.218CC..EExtended strand (participates in β ladder)trans-96.4120.9173.500000110.3I1038 Y1039G1032-I1038 CarbonylContact O-C 3.59Å; G1032-I1038 WeakPolarHBondContact O-CA 3.34Å; G1032-Y1039 PolarHBondContact N-O 2.72Å; G1032-Y1039 PolarHBondContact O-N 3.22Å
1033I92.5Very high83.6Confident4 Ų444.3 Ų44.32%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-107.3111.5178.7-55.2169.5000107.7A970 F972 I1031 I1104 F1107 Y1111A970-I1033 PolarHBondContact N-O 2.83Å; A970-I1033 PolarHBondContact O-N 3.26Å; F972-I1033 HydrophobicContact CD2-CD1 4.3Å; F972-I1033 HydrophobicContact CE2-CD1 4.31Å; I1031-I1033 HydrophobicContact CG1-CG1 4.43Å; I1033-I1104 HydrophobicContact CD1-CG2 3.79Å; I1033-F1107 HydrophobicContact CD1-CB 4.25Å; I1033-F1107 HydrophobicContact CG2-CB 4.43Å; I1033-Y1111 HydrophobicContact CG2-CD2 3.9Å; I1033-Y1111 HydrophobicContact CG2-CE2 4.19Å; I1033-Y1111 WeakPolarHBondContact O-CE2 3.37Å
1034G90.5Very high85.1Confident3 Ų345.8 Ų45.83%0.03122%0.219CC..  trans-105.1174.917300000112.3T1036 R1037 M1054G1034-T1036 VanDerWaalsContact C-N 3.3Å; G1034-T1036 PolarHBondContact O-N 2.67Å; G1034-R1037 WeakPolarHBondContact CA-O 3.46Å; G1034-R1037 PolarHBondContact N-O 2.64Å; G1034-M1054 WeakPolarHBondContact O-CE 3.3Å
1035S88.7Confident86.2Confident31 Ų3146 Ų4622%0.21722%0.221CC..SBendtrans-60.5-35.4178.153.20000113.8N1115S1035-N1115 PolarHBondContact O-ND2 2.97Å
1036T88.4Confident87Confident85 Ų8545.6 Ų45.652%0.52122%0.219SC..SBendtrans-113.7-23.3-173.661.60000114G1034 M1054G1034-T1036 VanDerWaalsContact C-N 3.3Å; G1034-T1036 PolarHBondContact O-N 2.67Å; T1036-M1054 VanDerWaalsContact O-CB 3.31Å; T1036-M1054 WeakPolarHBondContact O-CB 3.38Å; T1036-M1054 PolarHBondContact O-N 3.41Å
1037R91.2Very high87.9Confident82 Ų8240.2 Ų40.231%0.30920%0.204SC..EExtended strand (participates in β ladder)trans-145.4152.9-173.4-62.4-170.8-179.6-179.25.6111.4G1034 Y1039 W1052 R1053G1034-R1037 WeakPolarHBondContact CA-O 3.46Å; G1034-R1037 PolarHBondContact N-O 2.64Å; R1037-Y1039 HydrophobicContact CB-CE1 4.31Å; R1037-Y1039 HydrophobicContact CB-CE2 3.94Å; R1037-W1052 CarbonylContact C-O 3.4Å; R1037-W1052 WeakPolarHBondContact CA-O 3.21Å; R1037-W1052 WeakPolarHBondContact CB-O 3.48Å; R1037-R1053 HydrophobicContact CG-CG 4.41Å
1038I91.4Very high88.1Confident4 Ų438.9 Ų38.92%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-105.9132.2167.9-55.4-178.4000107.8I1031 G1032 S1051 W1052 M1054 I1057 L1071 L1108I1031-I1038 HydrophobicContact CD1-CG2 3.5Å; I1031-I1038 HydrophobicContact CG1-CG2 3.89Å; G1032-I1038 CarbonylContact O-C 3.59Å; G1032-I1038 WeakPolarHBondContact O-CA 3.34Å; I1038-S1051 CarbonylContact O-C 3.54Å; I1038-S1051 VanDerWaalsContact O-CA 3.29Å; I1038-S1051 WeakPolarHBondContact O-CA 3.23Å; I1038-W1052 HydrophobicContact CB-CE3 4.32Å; I1038-W1052 HydrophobicContact CG2-CE3 4.13Å; I1038-W1052 PolarHBondContact N-O 2.97Å; I1038-W1052 PolarHBondContact O-N 3.19Å; I1038-M1054 HydrophobicContact CD1-CE 4.34Å; I1038-M1054 HydrophobicContact CD1-SD 4.49Å; I1038-M1054 HydrophobicContact CG1-CE 3.93Å; I1038-I1057 HydrophobicContact CD1-CD1 3.43Å; I1038-I1057 VanDerWaalsContact CD1-CD1 3.43Å; I1038-I1057 HydrophobicContact CG1-CD1 4.31Å; I1038-L1071 HydrophobicContact CD1-CD1 3.96Å; I1038-L1108 HydrophobicContact CD1-CD1 3.85Å
1039Y90.8Very high88.2Confident40 Ų4040.3 Ų40.316%0.15721%0.209CC..EExtended strand (participates in β ladder)trans-113.5133.2-176.2-56.8-87.3000110.2I969 I1031 G1032 R1037 C1041 I1048 A1050I969-Y1039 HydrophobicContact CD1-CD2 4.08Å; I969-Y1039 HydrophobicContact CD1-CE2 3.62Å; I969-Y1039 HydrophobicContact CG1-CE2 4.25Å; I969-Y1039 HydrophobicContact CG2-CD2 4.26Å; I1031-Y1039 CarbonylContact C-O 3.58Å; I1031-Y1039 WeakPolarHBondContact CA-O 3.23Å; G1032-Y1039 PolarHBondContact N-O 2.72Å; G1032-Y1039 PolarHBondContact O-N 3.22Å; R1037-Y1039 HydrophobicContact CB-CE1 4.31Å; R1037-Y1039 HydrophobicContact CB-CE2 3.94Å; Y1039-C1041 VanDerWaalsContact CB-SG 3.58Å; Y1039-I1048 HydrophobicContact CD1-CD1 3.88Å; Y1039-I1048 HydrophobicContact CD1-CG1 4.11Å; Y1039-I1048 HydrophobicContact CD1-CG2 3.85Å; Y1039-I1048 HydrophobicContact CE1-CD1 4.11Å; Y1039-A1050 CarbonylContact C-O 3.49Å; Y1039-A1050 WeakPolarHBondContact CA-O 3.46Å
1040R90.2Very high88.1Confident40 Ų4041.3 Ų41.315%0.15122%0.219CC..EExtended strand (participates in β ladder)trans-91.8118.4162.9177.8-179.6-178.4-174.5-0.2106.7I976 E1029 I1048 L1049 A1050 W1052I976-R1040 HydrophobicContact CD1-CB 4.24Å; I976-R1040 HydrophobicContact CD1-CG 3.76Å; E1029-R1040 VanDerWaalsContact CD-NH2 3.32Å; E1029-R1040 IonicContact OE1-CZ 3.58Å; E1029-R1040 IonicContact OE1-NE 3.45Å; E1029-R1040 IonicContact OE1-NH2 3.04Å; E1029-R1040 PolarHBondContact OE1-NH2 3.41Å; E1029-R1040 IonicContact OE2-CZ 2.71Å; E1029-R1040 VanDerWaalsContact OE2-CZ 3.28Å; E1029-R1040 IonicContact OE2-NE 3.6Å; E1029-R1040 PolarHBondContact OE2-NE 3.09Å; E1029-R1040 IonicContact OE2-NH2 3.99Å; E1029-R1040 PolarHBondContact OE2-NH2 3.28Å; E1029-R1040 VanDerWaalsContact OE2-NH2 3.1Å; R1040-I1048 CarbonylContact O-C 3.45Å; R1040-L1049 HydrophobicContact CG-CB 4.11Å; R1040-L1049 HydrophobicContact CG-CD1 4.35Å; R1040-L1049 WeakPolarHBondContact O-CA 3.31Å; R1040-L1049 WeakPolarHBondContact O-CB 3.39Å; R1040-L1049 PolarHBondContact O-N 3.39Å; R1040-A1050 HydrophobicContact CB-CB 3.92Å; R1040-A1050 PolarHBondContact N-O 2.74Å; R1040-A1050 PolarHBondContact O-N 3.47Å; R1040-A1050 VanDerWaalsContact O-N 3.15Å; R1040-W1052 HydrophobicContact CB-CH2 3.76Å; R1040-W1052 HydrophobicContact CB-CZ3 3.77Å; R1040-W1052 HydrophobicContact CG-CH2 4.45Å
1041C88.7Confident88Confident3 Ų344 Ų442%0.0224%0.238CC..EExtended strand (participates in β ladder)trans-124.2146.5-176.6-48.60000111.2S1030 Y1039 E1047S1030-C1041 PolarHBondContact N-O 2.84Å; S1030-C1041 PolarHBondContact O-N 2.86Å; S1030-C1041 VanDerWaalsContact O-O 3.13Å; S1030-C1041 VanDerWaalsContact OG-CB 3.32Å; S1030-C1041 WeakPolarHBondContact OG-CB 3.38Å; S1030-C1041 PolarHBondContact OG-O 3.02Å; Y1039-C1041 VanDerWaalsContact CB-SG 3.58Å; C1041-E1047 CarbonylContact C-O 2.98Å; C1041-E1047 WeakPolarHBondContact CA-O 3.5Å; C1041-E1047 WeakPolarHBondContact CB-O 3.47Å
1042D88.3Confident88Confident15 Ų1545.9 Ų45.98%0.0825%0.245CC..  trans-68.5143.1174.3-172.455.2000111.3K1027 T1044 G1046 E1047 L1049K1027-D1042 IonicContact NZ-OD1 3.78Å; K1027-D1042 PolarHBondContact NZ-OD1 2.76Å; K1027-D1042 IonicContact NZ-OD2 3.39Å; D1042-T1044 VanDerWaalsContact C-N 3.34Å; D1042-T1044 PolarHBondContact O-N 3.39Å; D1042-T1044 PolarHBondContact OD2-N 3.08Å; D1042-T1044 VanDerWaalsContact OD2-N 3.14Å; D1042-T1044 PolarHBondContact OD2-OG1 3.14Å; D1042-G1046 VanDerWaalsContact O-CA 3.28Å; D1042-G1046 WeakPolarHBondContact O-CA 3.26Å; D1042-G1046 PolarHBondContact O-N 3.3Å; D1042-E1047 PolarHBondContact N-O 3.22Å; D1042-L1049 HydrophobicContact CB-CD1 4.24Å; D1042-L1049 HydrophobicContact CB-CD2 4.4Å; D1042-L1049 HydrophobicContact CB-CG 4.33Å
1043L85.9Confident87.9Confident34 Ų3452.8 Ų52.818%0.17827%0.271CS..THydrogen-bonded Turntrans-72.9-26.9-176.2-171.266.4000112.8I314 I317 I1028I314-L1043 HydrophobicContact CD1-CD1 4.16Å; I314-L1043 HydrophobicContact CD1-CD2 4.03Å; I314-L1043 HydrophobicContact CD1-CG 4.01Å; I314-L1043 HydrophobicContact CG1-CD1 3.94Å; I314-L1043 HydrophobicContact CG1-CG 4.29Å; I317-L1043 HydrophobicContact CD1-CD1 3.95Å; I1028-L1043 HydrophobicContact CB-CD2 4.4Å; I1028-L1043 HydrophobicContact CG2-CD2 4.01Å
1044T84.3Confident87.6Confident88 Ų8853.6 Ų53.654%0.5428%0.275SS..THydrogen-bonded Turntrans-84-46.6-17361.10000112.5D1042D1042-T1044 VanDerWaalsContact C-N 3.34Å; D1042-T1044 PolarHBondContact O-N 3.39Å; D1042-T1044 PolarHBondContact OD2-N 3.08Å; D1042-T1044 VanDerWaalsContact OD2-N 3.14Å; D1042-T1044 PolarHBondContact OD2-OG1 3.14Å
1045N79.4Confident87.5Confident107 Ų10758.8 Ų58.857%0.57231%0.311SS*.THydrogen-bonded Turntrans-105.8-15.9-174.6-62.13.7000113.2E1047N1045-E1047 HydrophobicContact CB-CG 3.93Å; N1045-E1047 PolarHBondContact ND2-OE1 3.26Å; N1045-E1047 PolarHBondContact O-N 3.18Å
1046G81.6Confident87.4Confident6 Ų658.7 Ų58.76%0.06231%0.31CS..  trans73.38.9-170.600000114.4Y313 D1042Y313-G1046 VanDerWaalsContact CE1-CA 3.47Å; D1042-G1046 VanDerWaalsContact O-CA 3.28Å; D1042-G1046 WeakPolarHBondContact O-CA 3.26Å; D1042-G1046 PolarHBondContact O-N 3.3Å
1047E86.2Confident87.3Confident118 Ų11855.6 Ų55.655%0.55129%0.29SS*.  trans-64137.4177.6-74.5173.6-148.200111.7C1041 D1042 N1045 L1049C1041-E1047 CarbonylContact C-O 2.98Å; C1041-E1047 WeakPolarHBondContact CA-O 3.5Å; C1041-E1047 WeakPolarHBondContact CB-O 3.47Å; D1042-E1047 PolarHBondContact N-O 3.22Å; N1045-E1047 HydrophobicContact CB-CG 3.93Å; N1045-E1047 PolarHBondContact ND2-OE1 3.26Å; N1045-E1047 PolarHBondContact O-N 3.18Å; E1047-L1049 PolarHBondContact O-N 3.33Å
1048I87.8Confident87Confident87 Ų8757.4 Ų57.445%0.44630%0.302SS..EExtended strand (participates in β ladder)trans-76.4112.5178.8-62.3160.2000109.2Y1039 R1040 A1050Y1039-I1048 HydrophobicContact CD1-CD1 3.88Å; Y1039-I1048 HydrophobicContact CD1-CG1 4.11Å; Y1039-I1048 HydrophobicContact CD1-CG2 3.85Å; Y1039-I1048 HydrophobicContact CE1-CD1 4.11Å; R1040-I1048 CarbonylContact O-C 3.45Å; I1048-A1050 WeakPolarHBondContact CG2-O 3.49Å
1049L86.5Confident86.9Confident90 Ų9059 Ų5947%0.47131%0.314SS..EExtended strand (participates in β ladder)trans-82.9-36.8175.6-59.6175.1000112.7E1029 R1040 D1042 E1047E1029-L1049 HydrophobicContact CG-CD1 4.46Å; R1040-L1049 HydrophobicContact CG-CB 4.11Å; R1040-L1049 HydrophobicContact CG-CD1 4.35Å; R1040-L1049 WeakPolarHBondContact O-CA 3.31Å; R1040-L1049 WeakPolarHBondContact O-CB 3.39Å; R1040-L1049 PolarHBondContact O-N 3.39Å; D1042-L1049 HydrophobicContact CB-CD1 4.24Å; D1042-L1049 HydrophobicContact CB-CD2 4.4Å; D1042-L1049 HydrophobicContact CB-CG 4.33Å; E1047-L1049 PolarHBondContact O-N 3.33Å
1050A85.6Confident86.8Confident31 Ų3160 Ų6026%0.25632%0.317SS..EExtended strand (participates in β ladder)trans-152.9158.9177.900000110.9Y1039 R1040 I1048 W1052Y1039-A1050 CarbonylContact C-O 3.49Å; Y1039-A1050 WeakPolarHBondContact CA-O 3.46Å; R1040-A1050 HydrophobicContact CB-CB 3.92Å; R1040-A1050 PolarHBondContact N-O 2.74Å; R1040-A1050 PolarHBondContact O-N 3.47Å; R1040-A1050 VanDerWaalsContact O-N 3.15Å; I1048-A1050 WeakPolarHBondContact CG2-O 3.49Å; A1050-W1052 HydrophobicContact CB-CH2 4.45Å; A1050-W1052 HydrophobicContact CB-CZ2 4.35Å
1051S89.3Confident86.7Confident56 Ų5663.3 Ų63.339%0.39233%0.334SS..EExtended strand (participates in β ladder)trans-140.7141.1172.568.20000111.9I1038I1038-S1051 CarbonylContact O-C 3.54Å; I1038-S1051 VanDerWaalsContact O-CA 3.29Å; I1038-S1051 WeakPolarHBondContact O-CA 3.23Å
1052W89.4Confident86.7Confident40 Ų4064.8 Ų64.815%0.15234%0.342CS..EExtended strand (participates in β ladder)trans-119.9134.7176.7-57.8-78.9000109.2I976 V978 I1031 R1037 I1038 R1040 A1050 I1073 V1092I976-W1052 HydrophobicContact CG2-CH2 4.28Å; V978-W1052 HydrophobicContact CG2-CZ2 4.15Å; I1031-W1052 HydrophobicContact CD1-CZ3 4.12Å; R1037-W1052 CarbonylContact C-O 3.4Å; R1037-W1052 WeakPolarHBondContact CA-O 3.21Å; R1037-W1052 WeakPolarHBondContact CB-O 3.48Å; I1038-W1052 HydrophobicContact CB-CE3 4.32Å; I1038-W1052 HydrophobicContact CG2-CE3 4.13Å; I1038-W1052 PolarHBondContact N-O 2.97Å; I1038-W1052 PolarHBondContact O-N 3.19Å; R1040-W1052 HydrophobicContact CB-CH2 3.76Å; R1040-W1052 HydrophobicContact CB-CZ3 3.77Å; R1040-W1052 HydrophobicContact CG-CH2 4.45Å; A1050-W1052 HydrophobicContact CB-CH2 4.45Å; A1050-W1052 HydrophobicContact CB-CZ2 4.35Å; W1052-I1073 HydrophobicContact CB-CD1 4.44Å; W1052-I1073 HydrophobicContact CD2-CD1 4.48Å; W1052-I1073 HydrophobicContact CG-CD1 3.91Å; W1052-V1092 HydrophobicContact CH2-CG1 4.29Å; W1052-V1092 HydrophobicContact CZ2-CG1 4.35Å; W1052-V1092 HydrophobicContact CZ2-CG2 4.11Å
1053R89.4Confident86.6Confident145 Ų14566.6 Ų66.655%0.54735%0.351SS..EExtended strand (participates in β ladder)trans-75.1138.4176.1-70.6179.917381-4.7109.9R1037 S1055 S1056R1037-R1053 HydrophobicContact CG-CG 4.41Å; R1053-S1055 PolarHBondContact O-N 2.83Å; R1053-S1056 WeakPolarHBondContact O-CB 3.11Å; R1053-S1056 PolarHBondContact O-N 3.43Å; R1053-S1056 PolarHBondContact O-OG 3.26Å
1054M86.9Confident86.5Confident21 Ų2170.8 Ų70.810%0.10337%0.365CS..G310 helixtrans-57.7-35.4177.4-165.46471.100111.7G1034 T1036 I1038 S1056 I1057 L1108 T1112G1034-M1054 WeakPolarHBondContact O-CE 3.3Å; T1036-M1054 VanDerWaalsContact O-CB 3.31Å; T1036-M1054 WeakPolarHBondContact O-CB 3.38Å; T1036-M1054 PolarHBondContact O-N 3.41Å; I1038-M1054 HydrophobicContact CD1-CE 4.34Å; I1038-M1054 HydrophobicContact CD1-SD 4.49Å; I1038-M1054 HydrophobicContact CG1-CE 3.93Å; M1054-S1056 PolarHBondContact O-N 2.83Å; M1054-I1057 PolarHBondContact O-N 2.65Å; M1054-I1057 HydrophobicContact SD-CD1 3.83Å; M1054-L1108 HydrophobicContact CE-CD1 3.68Å; M1054-L1108 HydrophobicContact SD-CD1 3.4Å; M1054-L1108 WeakPolarHBondContact SD-CD1 3.42Å; M1054-T1112 HydrophobicContact CG-CG2 4.24Å; M1054-T1112 HydrophobicContact SD-CG2 4.15Å
1055S87.2Confident86.6Confident111 Ų11175.3 Ų75.378%0.77638%0.38SS*.G310 helixtrans-66.3-16.4176.359.10000115.1R1053R1053-S1055 PolarHBondContact O-N 2.83Å
1056S86.6Confident86.9Confident29 Ų2975 Ų7520%0.20338%0.378CS..G310 helixtrans-84.9-11.8178.1670000113.4R1053 M1054 A1074R1053-S1056 WeakPolarHBondContact O-CB 3.11Å; R1053-S1056 PolarHBondContact O-N 3.43Å; R1053-S1056 PolarHBondContact O-OG 3.26Å; M1054-S1056 PolarHBondContact O-N 2.83Å; S1056-A1074 PolarHBondContact O-N 2.82Å
1057I87Confident87.1Confident21 Ų2178 Ų7811%0.10840%0.397CS..EExtended strand (participates in β ladder)trans-83.9115.6-179.1-57.1172000108.3I1038 M1054 W1060 L1071 L1108I1038-I1057 HydrophobicContact CD1-CD1 3.43Å; I1038-I1057 VanDerWaalsContact CD1-CD1 3.43Å; I1038-I1057 HydrophobicContact CG1-CD1 4.31Å; M1054-I1057 PolarHBondContact O-N 2.65Å; M1054-I1057 HydrophobicContact SD-CD1 3.83Å; I1057-W1060 HydrophobicContact CG2-CE3 4.19Å; I1057-L1071 HydrophobicContact CG2-CD2 4.49Å; I1057-L1108 HydrophobicContact CD1-CD1 4.45Å
1058Q85.7Confident87.3Confident119 Ų11973.1 Ų73.156%0.55638%0.375SS*.EExtended strand (participates in β ladder)trans-83.3-38.5179.3-68.6-179.2-23.400112N1072 A1074Q1058-N1072 PolarHBondContact N-O 2.56Å; Q1058-A1074 HydrophobicContact CG-CB 3.98Å
1059S87.8Confident87.4Confident39 Ų3969.1 Ų69.127%0.27335%0.354SS..EExtended strand (participates in β ladder)trans-159.4154.818049.50000110.2N1072S1059-N1072 PolarHBondContact O-N 3.43Å; S1059-N1072 PolarHBondContact OG-ND2 3.39Å
1060W89.1Confident87.5Confident60 Ų6065.3 Ų65.323%0.22734%0.335CS..EExtended strand (participates in β ladder)trans-126.6142.2167.661.389.8000110.1I1057 L1069 V1070 L1071 L1108 T1112 L1133I1057-W1060 HydrophobicContact CG2-CE3 4.19Å; W1060-L1069 HydrophobicContact CB-CD1 4.24Å; W1060-V1070 CarbonylContact C-O 3.53Å; W1060-V1070 VanDerWaalsContact CA-O 3.25Å; W1060-V1070 WeakPolarHBondContact CA-O 3.14Å; W1060-L1071 HydrophobicContact CB-CD2 3.6Å; W1060-L1108 HydrophobicContact CB-CD2 4.04Å; W1060-L1108 HydrophobicContact CD2-CD2 3.68Å; W1060-L1108 HydrophobicContact CD2-CG 4.3Å; W1060-L1108 HydrophobicContact CE3-CD2 3.97Å; W1060-L1108 HydrophobicContact CE3-CG 4.37Å; W1060-L1108 HydrophobicContact CG-CD2 3.71Å; W1060-T1112 HydrophobicContact CH2-CG2 3.9Å; W1060-T1112 HydrophobicContact CZ3-CG2 4.1Å; W1060-L1133 HydrophobicContact CH2-CD2 3.88Å; W1060-L1133 HydrophobicContact CZ2-CB 4.45Å; W1060-L1133 HydrophobicContact CZ2-CD2 3.92Å
1061H87.8Confident87.7Confident110 Ų11064 Ų6451%0.50932%0.323SS..EExtended strand (participates in β ladder)trans-125.6137.8176.9-61.9-75.4000109.4V1070H1061-V1070 PolarHBondContact N-O 2.76Å; H1061-V1070 PolarHBondContact O-N 2.83Å
1062I88.3Confident87.6Confident33 Ų3362.9 Ų62.917%0.16931%0.313CS..EExtended strand (participates in β ladder)trans-100117176.4-56.4168.3000107.4W1064 L1069 V1101 A1105I1062-W1064 HydrophobicContact CB-CZ2 4.16Å; I1062-W1064 HydrophobicContact CD1-CH2 3.98Å; I1062-W1064 HydrophobicContact CD1-CZ2 3.88Å; I1062-W1064 HydrophobicContact CG2-CD2 3.74Å; I1062-W1064 HydrophobicContact CG2-CE3 3.83Å; I1062-W1064 HydrophobicContact CG2-CG 4.37Å; I1062-W1064 HydrophobicContact CG2-CH2 3.92Å; I1062-W1064 HydrophobicContact CG2-CZ2 3.85Å; I1062-W1064 HydrophobicContact CG2-CZ3 3.91Å; I1062-W1064 PolarHBondContact O-N 3.14Å; I1062-L1069 HydrophobicContact CG1-CD1 3.79Å; I1062-V1101 HydrophobicContact CG2-CB 4.4Å; I1062-V1101 HydrophobicContact CG2-CG1 3.86Å; I1062-A1105 HydrophobicContact CD1-CB 3.49Å; I1062-A1105 VanDerWaalsContact CD1-CB 3.49Å; I1062-A1105 HydrophobicContact CG1-CB 4.18Å
1063N87.3Confident87.3Confident54 Ų5461.7 Ų61.729%0.28931%0.309SS..EExtended strand (participates in β ladder)trans-88.599.9169.1-173.9-12.7000108.7E1065 L1066 S1067 E1068N1063-E1065 VanDerWaalsContact C-N 3.34Å; N1063-E1065 PolarHBondContact O-N 3.05Å; N1063-E1065 PolarHBondContact OD1-N 2.9Å; N1063-L1066 VanDerWaalsContact ND2-CD1 3.34Å; N1063-L1066 WeakPolarHBondContact ND2-CD1 3.5Å; N1063-L1066 WeakPolarHBondContact ND2-CG 3Å; N1063-L1066 PolarHBondContact OD1-N 3.06Å; N1063-S1067 WeakPolarHBondContact O-CA 3.25Å; N1063-S1067 PolarHBondContact O-N 3.48Å; N1063-E1068 HydrophobicContact CB-CB 4.39Å; N1063-E1068 PolarHBondContact N-O 3.04Å; N1063-E1068 PolarHBondContact O-N 3.17Å; N1063-E1068 VanDerWaalsContact O-N 3.09Å
1064W83.8Confident86.6Confident121 Ų12156.4 Ų56.446%0.45830%0.297SS..THydrogen-bonded Turntrans-66.4-32.5-177-61107.4000113.4I1062 R1102I1062-W1064 HydrophobicContact CB-CZ2 4.16Å; I1062-W1064 HydrophobicContact CD1-CH2 3.98Å; I1062-W1064 HydrophobicContact CD1-CZ2 3.88Å; I1062-W1064 HydrophobicContact CG2-CD2 3.74Å; I1062-W1064 HydrophobicContact CG2-CE3 3.83Å; I1062-W1064 HydrophobicContact CG2-CG 4.37Å; I1062-W1064 HydrophobicContact CG2-CH2 3.92Å; I1062-W1064 HydrophobicContact CG2-CZ2 3.85Å; I1062-W1064 HydrophobicContact CG2-CZ3 3.91Å; I1062-W1064 PolarHBondContact O-N 3.14Å; W1064-R1102 HydrophobicContact CH2-CB 4.33Å; W1064-R1102 VanDerWaalsContact CH2-CZ 3.5Å; W1064-R1102 VanDerWaalsContact CH2-NH2 3.29Å; W1064-R1102 HydrophobicContact CZ3-CB 4.23Å
1065E85.8Confident85.5Confident183 Ų18358.1 Ų58.186%0.85531%0.306SS*.THydrogen-bonded Turntrans-70.1-44.2-178.5-63.5-175.816900111.6N1063N1063-E1065 VanDerWaalsContact C-N 3.34Å; N1063-E1065 PolarHBondContact O-N 3.05Å; N1063-E1065 PolarHBondContact OD1-N 2.9Å
1066L85.5Confident84Confident101 Ų10161.2 Ų61.253%0.52931%0.308SS..THydrogen-bonded Turntrans-88.7-8.1179.8-60-175.7000113.2N1063 E1068N1063-L1066 VanDerWaalsContact ND2-CD1 3.34Å; N1063-L1066 WeakPolarHBondContact ND2-CD1 3.5Å; N1063-L1066 WeakPolarHBondContact ND2-CG 3Å; N1063-L1066 PolarHBondContact OD1-N 3.06Å; L1066-E1068 HydrophobicContact CB-CG 3.56Å
1067S86.8Confident82.2Confident68 Ų6863.4 Ų63.448%0.47632%0.323SS..THydrogen-bonded Turntrans52.553.4-170.4-64.90000111.9N1063 V1101N1063-S1067 WeakPolarHBondContact O-CA 3.25Å; N1063-S1067 PolarHBondContact O-N 3.48Å; S1067-V1101 WeakPolarHBondContact O-CG2 3.44Å
1068E89.3Confident79.8Confident17 Ų1769.9 Ų69.98%0.07936%0.359CS..EExtended strand (participates in β ladder)trans-123141.8179.6-50.1179.2171.900111.2N1063 L1066 I1093 I1094 R1095N1063-E1068 HydrophobicContact CB-CB 4.39Å; N1063-E1068 PolarHBondContact N-O 3.04Å; N1063-E1068 PolarHBondContact O-N 3.17Å; N1063-E1068 VanDerWaalsContact O-N 3.09Å; L1066-E1068 HydrophobicContact CB-CG 3.56Å; E1068-I1093 HydrophobicContact CB-CG2 4Å; E1068-I1093 HydrophobicContact CG-CG2 4.33Å; E1068-I1093 VanDerWaalsContact OE2-CG2 3.3Å; E1068-I1093 WeakPolarHBondContact OE2-CG2 3.44Å; E1068-I1094 WeakPolarHBondContact CA-O 3.41Å; E1068-R1095 VanDerWaalsContact CD-NE 3.27Å; E1068-R1095 HydrophobicContact CG-CG 3.89Å; E1068-R1095 IonicContact OE1-CZ 2.63Å; E1068-R1095 IonicContact OE1-NE 2.95Å; E1068-R1095 PolarHBondContact OE1-NE 2.74Å; E1068-R1095 IonicContact OE1-NH2 3.81Å; E1068-R1095 PolarHBondContact OE1-NH2 2.94Å; E1068-R1095 IonicContact OE2-NH2 3.13Å
1069L90.1Very high77.7Confident3 Ų369.7 Ų69.72%0.01637%0.366CS..EExtended strand (participates in β ladder)trans-100.2121.5166.4-177.174.3000109.1W1060 I1062 L1071 I1093 I1094 V1101 I1104 L1108W1060-L1069 HydrophobicContact CB-CD1 4.24Å; I1062-L1069 HydrophobicContact CG1-CD1 3.79Å; L1069-L1071 HydrophobicContact CD2-CD2 3.89Å; L1069-L1071 HydrophobicContact CD2-CG 4.46Å; L1069-L1071 HydrophobicContact CG-CD2 4.08Å; L1069-I1093 WeakPolarHBondContact O-CA 3.45Å; L1069-I1094 HydrophobicContact CB-CB 4.32Å; L1069-I1094 HydrophobicContact CD2-CD1 4.37Å; L1069-I1094 PolarHBondContact N-O 3.32Å; L1069-I1094 PolarHBondContact O-N 2.78Å; L1069-V1101 HydrophobicContact CB-CG1 3.9Å; L1069-I1104 HydrophobicContact CD2-CG2 3.72Å; L1069-L1108 HydrophobicContact CD2-CD2 4.2Å
1070V89.3Confident75.1Confident10 Ų1076.2 Ų76.26%0.06139%0.394CS..EExtended strand (participates in β ladder)trans-104116.3178.5179.60000108.8W1060 H1061 R1091 I1093W1060-V1070 CarbonylContact C-O 3.53Å; W1060-V1070 VanDerWaalsContact CA-O 3.25Å; W1060-V1070 WeakPolarHBondContact CA-O 3.14Å; H1061-V1070 PolarHBondContact N-O 2.76Å; H1061-V1070 PolarHBondContact O-N 2.83Å; V1070-R1091 HydrophobicContact CG1-CG 3.74Å; V1070-I1093 HydrophobicContact CG2-CG1 4.41Å
1071L89.2Confident72.5Confident2 Ų280 Ų801%0.0142%0.419CS..EExtended strand (participates in β ladder)trans-100125.3174.4-55.6178.6000109.7I1038 I1057 W1060 L1069 I1073 R1091 V1092 I1094 L1108I1038-L1071 HydrophobicContact CD1-CD1 3.96Å; I1057-L1071 HydrophobicContact CG2-CD2 4.49Å; W1060-L1071 HydrophobicContact CB-CD2 3.6Å; L1069-L1071 HydrophobicContact CD2-CD2 3.89Å; L1069-L1071 HydrophobicContact CD2-CG 4.46Å; L1069-L1071 HydrophobicContact CG-CD2 4.08Å; L1071-I1073 HydrophobicContact CB-CG1 4.47Å; L1071-R1091 WeakPolarHBondContact O-CA 3.31Å; L1071-V1092 HydrophobicContact CB-CB 4.29Å; L1071-V1092 PolarHBondContact N-O 3.32Å; L1071-V1092 PolarHBondContact O-N 2.89Å; L1071-I1094 HydrophobicContact CD1-CD1 3.63Å; L1071-I1094 HydrophobicContact CG-CD1 4.24Å; L1071-L1108 HydrophobicContact CD2-CD2 3.77Å
1072N86.6Confident70.2Confident34 Ų3480.6 Ų80.618%0.18243%0.43CS..EExtended strand (participates in β ladder)trans-94.5114.5171.3-65.6-30.2000108.8Q1058 S1059Q1058-N1072 PolarHBondContact N-O 2.56Å; S1059-N1072 PolarHBondContact O-N 3.43Å; S1059-N1072 PolarHBondContact OG-ND2 3.39Å
1073I83.5Confident67.5Low14 Ų1485.4 Ų85.47%0.07246%0.461CS..EExtended strand (participates in β ladder)trans-108.2127.6-175.3-53.5-175000109W1052 L1071 I1075 T1089 G1090 V1092W1052-I1073 HydrophobicContact CB-CD1 4.44Å; W1052-I1073 HydrophobicContact CD2-CD1 4.48Å; W1052-I1073 HydrophobicContact CG-CD1 3.91Å; L1071-I1073 HydrophobicContact CB-CG1 4.47Å; I1073-I1075 PolarHBondContact O-N 3.19Å; I1073-T1089 CarbonylContact O-C 3.59Å; I1073-T1089 WeakPolarHBondContact O-CA 3.5Å; I1073-G1090 PolarHBondContact N-O 3.14Å; I1073-G1090 PolarHBondContact O-N 3.29Å; I1073-V1092 HydrophobicContact CD1-CB 4.16Å; I1073-V1092 HydrophobicContact CD1-CG2 3.39Å; I1073-V1092 HydrophobicContact CG1-CG2 4.33Å
1074A75.5Confident65.2Low35 Ų3589.1 Ų89.129%0.28949%0.486SS..EExtended strand (participates in β ladder)trans-70.5117.7170.500000109.6S1056 Q1058S1056-A1074 PolarHBondContact O-N 2.82Å; Q1058-A1074 HydrophobicContact CG-CB 3.98Å
1075I64.1Low62.8Low56 Ų5689.9 Ų89.929%0.28750%0.504SS..  trans-89.5116.6166.6-55170.5000106.3V980 P981 I1073 S1077 T1088V980-I1075 HydrophobicContact CG1-CD1 4.14Å; P981-I1075 HydrophobicContact CG-CD1 4.42Å; I1073-I1075 PolarHBondContact O-N 3.19Å; I1075-S1077 PolarHBondContact O-N 3.13Å; I1075-S1077 VanDerWaalsContact O-N 3.13Å; I1075-T1088 WeakPolarHBondContact CB-O 3.36Å
1076Q55Low60.6Low176 Ų17687.9 Ų87.982%0.82250%0.499SS*.  trans-7598.2169.5-70.7177.1-4.600107.9N1078Q1076-N1078 PolarHBondContact O-N 3.08Å
1077S48.4Very low58.7Low75 Ų7588.6 Ų88.652%0.52451%0.508SS..  trans-77.2105.116556.60000108.3I1075 T1079I1075-S1077 PolarHBondContact O-N 3.13Å; I1075-S1077 VanDerWaalsContact O-N 3.13Å; S1077-T1079 PolarHBondContact O-N 3.46Å
1078N37.6Very low56.9Low158 Ų15886.7 Ų86.785%0.84549%0.494SS*.  trans-71.884.1166.8-79.5-8.8000108.6Q1076Q1076-N1078 PolarHBondContact O-N 3.08Å
1079T40.8Very low55.5Low115 Ų11587.9 Ų87.971%0.70650%0.502SS*.  trans-139.897.5164.3-21.80000107.1S1077 N1081S1077-T1079 PolarHBondContact O-N 3.46Å; T1079-N1081 PolarHBondContact O-N 2.94Å
1080M32.3Very low54.6Low175 Ų17588 Ų8886%0.86250%0.504SS*.  trans-61.3113.1165.9-72.3-72175.500106.7
1081N36Very low54.2Low141 Ų14192.8 Ų92.875%0.75452%0.521SS*.  trans162.1130.6136.6-75.2-17.3000111.5T1079T1079-N1081 PolarHBondContact O-N 2.94Å
1082T38.9Very low54.1Low121 Ų12192.8 Ų92.874%0.74252%0.521SS*.  trans68.895.4156.256.30000118.8T1084T1082-T1084 PolarHBondContact O-N 3.27Å
1083T32.6Very low54.2Low135 Ų13591.8 Ų91.883%0.82852%0.516SS*.  trans31.880.8130.653.70000117.2
1084T37.3Very low54.5Low131 Ų13191.2 Ų91.280%0.80451%0.513SS*.  trans-173.3119.5136.225.60000107.5T1082 N1086T1082-T1084 PolarHBondContact O-N 3.27Å; T1084-N1086 PolarHBondContact O-N 2.97Å
1085T33.9Very low55.2Low138 Ų13892.6 Ų92.685%0.84751%0.511SS*.  trans-75.683.4-168.850.90000112.2
1086N40Very low56.3Low141 Ų14190.9 Ų90.975%0.75450%0.503SS*.  trans-110.685.2162.3-74.8-15.5000108.4T1084 T1088T1084-N1086 PolarHBondContact O-N 2.97Å; N1086-T1088 PolarHBondContact O-N 3.24Å; N1086-T1088 VanDerWaalsContact O-N 3.1Å
1087T45.2Very low57.7Low116 Ų11684.3 Ų84.371%0.71247%0.473SS*.  trans-63.1110.8170.850.40000108.5T1089T1087-T1089 PolarHBondContact O-N 3.48Å
1088T49.4Very low59.2Low28 Ų2886.1 Ų86.117%0.17248%0.477CS..  trans-71.796.1175.240.50000109.1P981 I1075 N1086P981-T1088 HydrophobicContact CB-CG2 4.26Å; P981-T1088 HydrophobicContact CG-CG2 3.94Å; I1075-T1088 WeakPolarHBondContact CB-O 3.36Å; N1086-T1088 PolarHBondContact O-N 3.24Å; N1086-T1088 VanDerWaalsContact O-N 3.1Å
1089T59.5Low61.3Low42 Ų4279.5 Ų79.526%0.25844%0.442SS..EExtended strand (participates in β ladder)trans-84.8124.7175.255.20000109.9I1073 T1087I1073-T1089 CarbonylContact O-C 3.59Å; I1073-T1089 WeakPolarHBondContact O-CA 3.5Å; T1087-T1089 PolarHBondContact O-N 3.48Å
1090G70.9Confident63.4Low6 Ų676.5 Ų76.56%0.06243%0.426CS..EExtended strand (participates in β ladder)trans-76.2144.2164.700000109.4I1073I1073-G1090 PolarHBondContact N-O 3.14Å; I1073-G1090 PolarHBondContact O-N 3.29Å
1091R82Confident66Low109 Ų10968.5 Ų68.541%0.41139%0.387SS..EExtended strand (participates in β ladder)trans-123.4125.5178.6167.7-175-177.3-179.15.1109.7T979 V1070 L1071 I1093T979-R1091 PolarHBondContact N-O 3.47Å; T979-R1091 PolarHBondContact O-N 3.45Å; T979-R1091 WeakPolarHBondContact OG1-CB 3.44Å; T979-R1091 PolarHBondContact OG1-O 2.9Å; V1070-R1091 HydrophobicContact CG1-CG 3.74Å; L1071-R1091 WeakPolarHBondContact O-CA 3.31Å; R1091-I1093 HydrophobicContact CG-CG1 4.22Å
1092V86.2Confident68.4Low2 Ų263.8 Ų63.81%0.01236%0.359CS..EExtended strand (participates in β ladder)trans-111.2123.1177.2177.90000108.7I976 E977 V978 W1052 L1071 I1073 I1094I976-V1092 HydrophobicContact CG2-CG1 3.94Å; E977-V1092 CarbonylContact O-C 3.55Å; E977-V1092 WeakPolarHBondContact O-CA 3.4Å; V978-V1092 HydrophobicContact CG1-CG2 4.27Å; V978-V1092 HydrophobicContact CG2-CG2 4.3Å; W1052-V1092 HydrophobicContact CH2-CG1 4.29Å; W1052-V1092 HydrophobicContact CZ2-CG1 4.35Å; W1052-V1092 HydrophobicContact CZ2-CG2 4.11Å; L1071-V1092 HydrophobicContact CB-CB 4.29Å; L1071-V1092 PolarHBondContact N-O 3.32Å; L1071-V1092 PolarHBondContact O-N 2.89Å; I1073-V1092 HydrophobicContact CD1-CB 4.16Å; I1073-V1092 HydrophobicContact CD1-CG2 3.39Å; I1073-V1092 HydrophobicContact CG1-CG2 4.33Å; V1092-I1094 HydrophobicContact CG1-CG1 4.15Å
1093I88.7Confident70.7Confident14 Ų1459 Ų597%0.07233%0.328CS..EExtended strand (participates in β ladder)trans-107.3122.1179.6-53.5176.5000107.6I976 E977 E1068 L1069 V1070 R1091 R1095I976-I1093 WeakPolarHBondContact CA-O 3.25Å; E977-I1093 HydrophobicContact CB-CB 4.25Å; E977-I1093 PolarHBondContact N-O 3.14Å; E977-I1093 PolarHBondContact O-N 2.9Å; E1068-I1093 HydrophobicContact CB-CG2 4Å; E1068-I1093 HydrophobicContact CG-CG2 4.33Å; E1068-I1093 VanDerWaalsContact OE2-CG2 3.3Å; E1068-I1093 WeakPolarHBondContact OE2-CG2 3.44Å; L1069-I1093 WeakPolarHBondContact O-CA 3.45Å; V1070-I1093 HydrophobicContact CG2-CG1 4.41Å; R1091-I1093 HydrophobicContact CG-CG1 4.22Å; I1093-R1095 HydrophobicContact CG2-CG 4.45Å
1094I89.8Confident73.4Confident2 Ų252.6 Ų52.61%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-111.7119.5-179.6-58.7169.3000107.8A974 I1031 E1068 L1069 L1071 V1092 P1096 I1104A974-I1094 HydrophobicContact CB-CG2 3.74Å; I1031-I1094 HydrophobicContact CD1-CD1 3.91Å; I1031-I1094 HydrophobicContact CG1-CD1 4.11Å; I1031-I1094 HydrophobicContact CG2-CG2 4.31Å; E1068-I1094 WeakPolarHBondContact CA-O 3.41Å; L1069-I1094 HydrophobicContact CB-CB 4.32Å; L1069-I1094 HydrophobicContact CD2-CD1 4.37Å; L1069-I1094 PolarHBondContact N-O 3.32Å; L1069-I1094 PolarHBondContact O-N 2.78Å; L1071-I1094 HydrophobicContact CD1-CD1 3.63Å; L1071-I1094 HydrophobicContact CG-CD1 4.24Å; V1092-I1094 HydrophobicContact CG1-CG1 4.15Å; I1094-P1096 WeakPolarHBondContact O-CD 3.46Å; I1094-I1104 HydrophobicContact CG2-CD1 4.43Å
1095R90Very high75.9Confident63 Ų6346.3 Ų46.324%0.23825%0.251CS..EExtended strand (participates in β ladder)trans-108.598.1174-50.4-157.8-179.778.210.6109.5A974 R975 E977 E1068 I1093A974-R1095 CarbonylContact C-O 3.44Å; A974-R1095 WeakPolarHBondContact CA-O 3.19Å; A974-R1095 WeakPolarHBondContact CB-O 2.83Å; R975-R1095 HydrophobicContact CB-CB 4.32Å; R975-R1095 PolarHBondContact N-O 3.29Å; R975-R1095 PolarHBondContact O-N 2.95Å; E977-R1095 VanDerWaalsContact CD-CZ 3.5Å; E977-R1095 VanDerWaalsContact CD-NH2 3.28Å; E977-R1095 IonicContact OE1-CZ 3.24Å; E977-R1095 IonicContact OE1-NH1 3.97Å; E977-R1095 PolarHBondContact OE1-NH1 3.26Å; E977-R1095 IonicContact OE1-NH2 2.67Å; E977-R1095 PolarHBondContact OE1-NH2 3.32Å; E977-R1095 IonicContact OE2-CZ 2.85Å; E977-R1095 IonicContact OE2-NH1 2.74Å; E977-R1095 PolarHBondContact OE2-NH1 3Å; E977-R1095 IonicContact OE2-NH2 2.72Å; E977-R1095 PolarHBondContact OE2-NH2 2.98Å; E1068-R1095 VanDerWaalsContact CD-NE 3.27Å; E1068-R1095 HydrophobicContact CG-CG 3.89Å; E1068-R1095 IonicContact OE1-CZ 2.63Å; E1068-R1095 IonicContact OE1-NE 2.95Å; E1068-R1095 PolarHBondContact OE1-NE 2.74Å; E1068-R1095 IonicContact OE1-NH2 3.81Å; E1068-R1095 PolarHBondContact OE1-NH2 2.94Å; E1068-R1095 IonicContact OE2-NH2 3.13Å; I1093-R1095 HydrophobicContact CG2-CG 4.45Å
1096P88.1Confident78.6Confident20 Ų2039.9 Ų39.913%0.1321%0.211CC..EExtended strand (participates in β ladder)trans-61.1148.4176.223-30.7000112I1094 V1099 V1101 I1104I1094-P1096 WeakPolarHBondContact O-CD 3.46Å; P1096-V1099 HydrophobicContact CB-CB 4.46Å; P1096-V1099 WeakPolarHBondContact CB-O 3.22Å; P1096-V1101 HydrophobicContact CG-CB 4.21Å; P1096-V1101 HydrophobicContact CG-CG2 3.54Å; P1096-I1104 HydrophobicContact CB-CD1 3.65Å; P1096-I1104 HydrophobicContact CG-CD1 4.16Å
1097I83.9Confident81.1Confident38 Ų3833.3 Ų33.320%0.19518%0.175CC..SBendtrans-118.4137.7173.4-66.5162000107.1P973 R975 I1028 V1099P973-I1097 WeakPolarHBondContact CG-O 3.36Å; P973-I1097 PolarHBondContact O-N 3.4Å; R975-I1097 HydrophobicContact CG-CD1 3.79Å; I1028-I1097 HydrophobicContact CB-CD1 4.2Å; I1028-I1097 HydrophobicContact CD1-CD1 3.86Å; I1028-I1097 HydrophobicContact CG1-CD1 3.62Å; I1028-I1097 HydrophobicContact CG2-CD1 3.65Å; I1097-V1099 PolarHBondContact O-N 3.07Å
1098D79.5Confident83.3Confident114 Ų11427.8 Ų27.861%0.6114%0.142SC*.SBendtrans61.5-1.6-177.5-55.8-36.4000116
1099V81.6Confident85.2Confident19 Ų1926.5 Ų26.512%0.11513%0.134CC..SBendtrans-130144.6-176.8-174.30000110.4T321 F972 P1096 I1097 M1103T321-V1099 HydrophobicContact CG2-CG2 3.54Å; F972-V1099 HydrophobicContact CD1-CG1 4.03Å; F972-V1099 HydrophobicContact CD1-CG2 4.2Å; F972-V1099 HydrophobicContact CE1-CG1 4.34Å; P1096-V1099 HydrophobicContact CB-CB 4.46Å; P1096-V1099 WeakPolarHBondContact CB-O 3.22Å; I1097-V1099 PolarHBondContact O-N 3.07Å; V1099-M1103 HydrophobicContact CG1-CB 3.89Å; V1099-M1103 HydrophobicContact CG1-CG 4.15Å; V1099-M1103 HydrophobicContact CG1-SD 3.55Å; V1099-M1103 VanDerWaalsContact CG1-SD 3.55Å
1100S85.6Confident86.6Confident52 Ų5224.5 Ų24.536%0.36412%0.121SC..  trans-70.1141.2174.276.60000111.2R1102 M1103S1100-R1102 PolarHBondContact O-N 3.25Å; S1100-R1102 VanDerWaalsContact O-N 3.16Å; S1100-M1103 WeakPolarHBondContact O-CB 3.31Å; S1100-M1103 PolarHBondContact O-N 2.87Å; S1100-M1103 VanDerWaalsContact O-N 3.1Å; S1100-M1103 PolarHBondContact OG-N 3.13Å
1101V86.8Confident87.6Confident7 Ų724.3 Ų24.34%0.04212%0.119CC..Hα-helixtrans-57.6-31.1174.2-1700000111.8I1062 S1067 L1069 P1096 M1103 I1104 A1105I1062-V1101 HydrophobicContact CG2-CB 4.4Å; I1062-V1101 HydrophobicContact CG2-CG1 3.86Å; S1067-V1101 WeakPolarHBondContact O-CG2 3.44Å; L1069-V1101 HydrophobicContact CB-CG1 3.9Å; P1096-V1101 HydrophobicContact CG-CB 4.21Å; P1096-V1101 HydrophobicContact CG-CG2 3.54Å; V1101-M1103 VanDerWaalsContact C-N 3.29Å; V1101-M1103 PolarHBondContact O-N 2.86Å; V1101-I1104 PolarHBondContact O-N 3.12Å; V1101-A1105 WeakPolarHBondContact O-CB 3.34Å; V1101-A1105 PolarHBondContact O-N 3.08Å
1102R86.9Confident87.9Confident41 Ų4120.1 Ų20.116%0.15511%0.105CC..Hα-helixtrans-60.2-39.3178.5-173.8173.6-81.5110.3-5.5111.8D325 W1064 S1100 A1105 E1106D325-R1102 WeakPolarHBondContact OD2-CD 3.19Å; D325-R1102 IonicContact OD2-NE 2.83Å; W1064-R1102 HydrophobicContact CH2-CB 4.33Å; W1064-R1102 VanDerWaalsContact CH2-CZ 3.5Å; W1064-R1102 VanDerWaalsContact CH2-NH2 3.29Å; W1064-R1102 HydrophobicContact CZ3-CB 4.23Å; S1100-R1102 PolarHBondContact O-N 3.25Å; S1100-R1102 VanDerWaalsContact O-N 3.16Å; R1102-A1105 PolarHBondContact O-N 3.46Å; R1102-E1106 WeakPolarHBondContact O-CB 3.47Å; R1102-E1106 PolarHBondContact O-N 3.1Å
1103M87.1Confident88.1Confident21 Ų2120.4 Ų20.410%0.10311%0.106CC..Hα-helixtrans-62.5-46.8176.8-175.7175.1-74.600111.3N320 W323 F972 V1099 S1100 V1101 A1105 E1106 F1107N320-M1103 VanDerWaalsContact O-SD 3.35Å; W323-M1103 HydrophobicContact CB-CE 4.4Å; W323-M1103 VanDerWaalsContact O-CE 3.27Å; W323-M1103 WeakPolarHBondContact O-CE 3.4Å; F972-M1103 HydrophobicContact CE1-CG 4.12Å; F972-M1103 HydrophobicContact CE1-SD 3.79Å; F972-M1103 HydrophobicContact CZ-CG 4.29Å; F972-M1103 HydrophobicContact CZ-SD 4.47Å; V1099-M1103 HydrophobicContact CG1-CB 3.89Å; V1099-M1103 HydrophobicContact CG1-CG 4.15Å; V1099-M1103 HydrophobicContact CG1-SD 3.55Å; V1099-M1103 VanDerWaalsContact CG1-SD 3.55Å; S1100-M1103 WeakPolarHBondContact O-CB 3.31Å; S1100-M1103 PolarHBondContact O-N 2.87Å; S1100-M1103 VanDerWaalsContact O-N 3.1Å; S1100-M1103 PolarHBondContact OG-N 3.13Å; V1101-M1103 VanDerWaalsContact C-N 3.29Å; V1101-M1103 PolarHBondContact O-N 2.86Å; M1103-A1105 VanDerWaalsContact C-N 3.33Å; M1103-A1105 PolarHBondContact O-N 2.9Å; M1103-E1106 WeakPolarHBondContact O-CB 3.33Å; M1103-E1106 PolarHBondContact O-N 3.1Å; M1103-F1107 HydrophobicContact CG-CD2 4.3Å; M1103-F1107 HydrophobicContact CG-CE2 4.18Å; M1103-F1107 WeakPolarHBondContact O-CD2 3.22Å; M1103-F1107 PolarHBondContact O-N 2.82Å; M1103-F1107 VanDerWaalsContact O-N 3.1Å
1104I89.6Confident88Confident0 Ų019.8 Ų19.80%010%0.103CC..Hα-helixtrans-59.8-44.8175.3-71-173.1000111.2F972 I1031 I1033 L1069 I1094 P1096 V1101 E1106 F1107 L1108F972-I1104 HydrophobicContact CB-CD1 4.11Å; F972-I1104 HydrophobicContact CB-CG1 4.34Å; F972-I1104 HydrophobicContact CD2-CD1 4.48Å; F972-I1104 HydrophobicContact CD2-CG1 3.95Å; F972-I1104 HydrophobicContact CE2-CG1 4.45Å; F972-I1104 HydrophobicContact CG-CD1 4.34Å; F972-I1104 HydrophobicContact CG-CG1 4.03Å; I1031-I1104 HydrophobicContact CG2-CD1 4.12Å; I1033-I1104 HydrophobicContact CD1-CG2 3.79Å; L1069-I1104 HydrophobicContact CD2-CG2 3.72Å; I1094-I1104 HydrophobicContact CG2-CD1 4.43Å; P1096-I1104 HydrophobicContact CB-CD1 3.65Å; P1096-I1104 HydrophobicContact CG-CD1 4.16Å; V1101-I1104 PolarHBondContact O-N 3.12Å; I1104-E1106 VanDerWaalsContact C-N 3.29Å; I1104-E1106 PolarHBondContact O-N 3.23Å; I1104-F1107 PolarHBondContact O-N 3.42Å; I1104-L1108 PolarHBondContact O-N 3.48Å; I1104-L1108 VanDerWaalsContact O-N 3.08Å
1105A89.5Confident87.8Confident0 Ų023.4 Ų23.40%012%0.123CC..Hα-helixtrans-64-33.9177.600000112.4I1062 V1101 R1102 M1103 L1108 G1109I1062-A1105 HydrophobicContact CD1-CB 3.49Å; I1062-A1105 VanDerWaalsContact CD1-CB 3.49Å; I1062-A1105 HydrophobicContact CG1-CB 4.18Å; V1101-A1105 WeakPolarHBondContact O-CB 3.34Å; V1101-A1105 PolarHBondContact O-N 3.08Å; R1102-A1105 PolarHBondContact O-N 3.46Å; M1103-A1105 VanDerWaalsContact C-N 3.33Å; M1103-A1105 PolarHBondContact O-N 2.9Å; A1105-L1108 PolarHBondContact O-N 2.93Å; A1105-G1109 PolarHBondContact O-N 3.05Å
1106E91Very high87.5Confident3 Ų326.4 Ų26.41%0.01414%0.143CC..Hα-helixtrans-68.8-37.8176.2-166.4-166.216600112.3S326 K375 Y376 R1102 M1103 I1104 G1110 T1134S326-E1106 WeakPolarHBondContact CB-OE1 3.23Å; S326-E1106 PolarHBondContact N-OE1 2.94Å; S326-E1106 PolarHBondContact OG-OE1 2.87Å; K375-E1106 IonicContact NZ-OE1 3.35Å; K375-E1106 PolarHBondContact NZ-OE1 3.29Å; K375-E1106 IonicContact NZ-OE2 3.68Å; K375-E1106 PolarHBondContact NZ-OE2 3.29Å; Y376-E1106 PolarHBondContact OH-O 3.19Å; R1102-E1106 WeakPolarHBondContact O-CB 3.47Å; R1102-E1106 PolarHBondContact O-N 3.1Å; M1103-E1106 WeakPolarHBondContact O-CB 3.33Å; M1103-E1106 PolarHBondContact O-N 3.1Å; I1104-E1106 VanDerWaalsContact C-N 3.29Å; I1104-E1106 PolarHBondContact O-N 3.23Å; E1106-G1110 WeakPolarHBondContact O-CA 3.47Å; E1106-G1110 PolarHBondContact O-N 3.25Å; E1106-T1134 HydrophobicContact CB-CG2 4.48Å; E1106-T1134 HydrophobicContact CG-CG2 3.92Å
1107F91.6Very high87Confident2 Ų226.9 Ų26.91%0.00914%0.142CC..Hα-helixtrans-65.2-44.8172.6-86.3-81.6000111.5W323 K375 Y376 A970 F972 I1033 M1103 I1104 G1110 Y1111W323-F1107 AromaticContact CD1-CE2 3.83Å; W323-F1107 AromaticContact CD1-CZ 3.51Å; W323-F1107 HydrophobicContact CG-CE2 4.4Å; W323-F1107 HydrophobicContact CG-CZ 4.16Å; W323-F1107 AromaticContact NE1-CZ 3.65Å; K375-F1107 HydrophobicContact CD-CZ 4.36Å; K375-F1107 HydrophobicContact CG-CE1 3.9Å; K375-F1107 HydrophobicContact CG-CZ 3.99Å; Y376-F1107 HydrophobicContact CE1-CD1 4.42Å; A970-F1107 HydrophobicContact CB-CD1 3.69Å; A970-F1107 HydrophobicContact CB-CE1 3.63Å; A970-F1107 HydrophobicContact CB-CG 4.22Å; A970-F1107 HydrophobicContact CB-CZ 4.12Å; F972-F1107 HydrophobicContact CE1-CE2 4.46Å; F972-F1107 AromaticContact CE2-CD2 3.86Å; F972-F1107 HydrophobicContact CE2-CD2 3.86Å; F972-F1107 HydrophobicContact CE2-CE2 4.28Å; F972-F1107 HydrophobicContact CE2-CG 4.26Å; F972-F1107 AromaticContact CZ-CD2 3.5Å; F972-F1107 HydrophobicContact CZ-CD2 3.5Å; F972-F1107 VanDerWaalsContact CZ-CD2 3.5Å; F972-F1107 AromaticContact CZ-CE2 3.52Å; F972-F1107 HydrophobicContact CZ-CE2 3.52Å; F972-F1107 HydrophobicContact CZ-CG 4.29Å; F972-F1107 HydrophobicContact CZ-CZ 4.29Å; I1033-F1107 HydrophobicContact CD1-CB 4.25Å; I1033-F1107 HydrophobicContact CG2-CB 4.43Å; M1103-F1107 HydrophobicContact CG-CD2 4.3Å; M1103-F1107 HydrophobicContact CG-CE2 4.18Å; M1103-F1107 WeakPolarHBondContact O-CD2 3.22Å; M1103-F1107 PolarHBondContact O-N 2.82Å; M1103-F1107 VanDerWaalsContact O-N 3.1Å; I1104-F1107 PolarHBondContact O-N 3.42Å; F1107-G1110 PolarHBondContact O-N 3.19Å; F1107-Y1111 HydrophobicContact CD1-CE2 4.16Å; F1107-Y1111 WeakPolarHBondContact O-CD2 3.2Å; F1107-Y1111 PolarHBondContact O-N 2.8Å
1108L91.3Very high86.3Confident1 Ų127 Ų271%0.00515%0.146CC..Hα-helixtrans-62.8-48.5176.2-17563.5000111.9I1038 M1054 I1057 W1060 L1069 L1071 I1104 A1105 T1112I1038-L1108 HydrophobicContact CD1-CD1 3.85Å; M1054-L1108 HydrophobicContact CE-CD1 3.68Å; M1054-L1108 HydrophobicContact SD-CD1 3.4Å; M1054-L1108 WeakPolarHBondContact SD-CD1 3.42Å; I1057-L1108 HydrophobicContact CD1-CD1 4.45Å; W1060-L1108 HydrophobicContact CB-CD2 4.04Å; W1060-L1108 HydrophobicContact CD2-CD2 3.68Å; W1060-L1108 HydrophobicContact CD2-CG 4.3Å; W1060-L1108 HydrophobicContact CE3-CD2 3.97Å; W1060-L1108 HydrophobicContact CE3-CG 4.37Å; W1060-L1108 HydrophobicContact CG-CD2 3.71Å; L1069-L1108 HydrophobicContact CD2-CD2 4.2Å; L1071-L1108 HydrophobicContact CD2-CD2 3.77Å; I1104-L1108 PolarHBondContact O-N 3.48Å; I1104-L1108 VanDerWaalsContact O-N 3.08Å; A1105-L1108 PolarHBondContact O-N 2.93Å; L1108-T1112 WeakPolarHBondContact O-CG2 3.08Å; L1108-T1112 PolarHBondContact O-N 2.96Å; L1108-T1112 VanDerWaalsContact O-N 3.07Å; L1108-T1112 PolarHBondContact O-OG1 3.31Å
1109G89.6Confident85.6Confident0 Ų025.5 Ų25.50%014%0.142CC..Hα-helixtrans-65.4-36.5178.200000113.2A1105 T1112 F1113A1105-G1109 PolarHBondContact O-N 3.05Å; G1109-T1112 VanDerWaalsContact CA-OG1 3.29Å; G1109-T1112 WeakPolarHBondContact CA-OG1 3.31Å; G1109-T1112 PolarHBondContact O-OG1 3.47Å; G1109-F1113 WeakPolarHBondContact O-CB 3.2Å; G1109-F1113 PolarHBondContact O-N 3.36Å
1110G89.2Confident84.5Confident0 Ų033 Ų330%018%0.176CC..Hα-helixtrans-71.2-44.5177.300000113.2E1106 F1107 T1112 F1113 L1114E1106-G1110 WeakPolarHBondContact O-CA 3.47Å; E1106-G1110 PolarHBondContact O-N 3.25Å; F1107-G1110 PolarHBondContact O-N 3.19Å; G1110-T1112 VanDerWaalsContact C-N 3.34Å; G1110-T1112 PolarHBondContact O-N 3.15Å; G1110-F1113 PolarHBondContact O-N 3.48Å; G1110-L1114 WeakPolarHBondContact O-CG 3.36Å; G1110-L1114 PolarHBondContact O-N 3.2Å
1111Y91.3Very high83.2Confident3 Ų337.8 Ų37.81%0.01219%0.19CC..Hα-helixtrans-63.5-40.1174.1-78.8-52.8000112.3Y376 I378 G968 I1033 F1107 N1115Y376-Y1111 HydrophobicContact CD1-CD1 4.05Å; Y376-Y1111 AromaticContact CD1-CE1 3.9Å; Y376-Y1111 HydrophobicContact CD1-CE1 3.9Å; Y376-Y1111 HydrophobicContact CD1-CE2 4.5Å; Y376-Y1111 HydrophobicContact CD1-CG 4.37Å; Y376-Y1111 HydrophobicContact CG-CE1 4.49Å; I378-Y1111 HydrophobicContact CD1-CD1 3.87Å; I378-Y1111 HydrophobicContact CD1-CE1 4.41Å; I378-Y1111 HydrophobicContact CG1-CD1 4.38Å; I378-Y1111 HydrophobicContact CG1-CE1 4.43Å; G968-Y1111 PolarHBondContact O-OH 3.46Å; I1033-Y1111 HydrophobicContact CG2-CD2 3.9Å; I1033-Y1111 HydrophobicContact CG2-CE2 4.19Å; I1033-Y1111 WeakPolarHBondContact O-CE2 3.37Å; F1107-Y1111 HydrophobicContact CD1-CE2 4.16Å; F1107-Y1111 WeakPolarHBondContact O-CD2 3.2Å; F1107-Y1111 PolarHBondContact O-N 2.8Å; Y1111-N1115 WeakPolarHBondContact O-CB 3.36Å; Y1111-N1115 VanDerWaalsContact O-CG 3.22Å; Y1111-N1115 PolarHBondContact O-N 3.43Å; Y1111-N1115 PolarHBondContact O-ND2 2.85Å; Y1111-N1115 VanDerWaalsContact O-ND2 3.16Å
1112T89.7Confident82.1Confident20 Ų2043 Ų4312%0.12322%0.219CC..Hα-helixtrans-66.6-41.8174.351.30000111.8M1054 W1060 L1108 G1109 G1110 L1114 N1115 L1116M1054-T1112 HydrophobicContact CG-CG2 4.24Å; M1054-T1112 HydrophobicContact SD-CG2 4.15Å; W1060-T1112 HydrophobicContact CH2-CG2 3.9Å; W1060-T1112 HydrophobicContact CZ3-CG2 4.1Å; L1108-T1112 WeakPolarHBondContact O-CG2 3.08Å; L1108-T1112 PolarHBondContact O-N 2.96Å; L1108-T1112 VanDerWaalsContact O-N 3.07Å; L1108-T1112 PolarHBondContact O-OG1 3.31Å; G1109-T1112 VanDerWaalsContact CA-OG1 3.29Å; G1109-T1112 WeakPolarHBondContact CA-OG1 3.31Å; G1109-T1112 PolarHBondContact O-OG1 3.47Å; G1110-T1112 VanDerWaalsContact C-N 3.34Å; G1110-T1112 PolarHBondContact O-N 3.15Å; T1112-L1114 PolarHBondContact O-N 3.41Å; T1112-N1115 PolarHBondContact O-N 3.09Å; T1112-L1116 VanDerWaalsContact O-CG 3.23Å; T1112-L1116 WeakPolarHBondContact O-CG 3.49Å; T1112-L1116 PolarHBondContact O-N 3.04Å
1113F88.7Confident81.1Confident9 Ų946 Ų464%0.03923%0.234CC..Hα-helixtrans-59-46.2174.9177.9-101.6000112.3E149 G1109 G1110 L1116 I1129 F1130 L1133E149-F1113 HydrophobicContact CB-CE1 4.36Å; G1109-F1113 WeakPolarHBondContact O-CB 3.2Å; G1109-F1113 PolarHBondContact O-N 3.36Å; G1110-F1113 PolarHBondContact O-N 3.48Å; F1113-L1116 PolarHBondContact O-N 3.32Å; F1113-I1129 HydrophobicContact CD2-CB 4.43Å; F1113-I1129 HydrophobicContact CD2-CG2 4.06Å; F1113-I1129 HydrophobicContact CE2-CB 4.23Å; F1113-I1129 HydrophobicContact CE2-CG2 4.31Å; F1113-F1130 HydrophobicContact CB-CD2 4.29Å; F1113-F1130 AromaticContact CD1-CD2 3.91Å; F1113-F1130 HydrophobicContact CD1-CD2 3.91Å; F1113-F1130 HydrophobicContact CD2-CB 3.98Å; F1113-F1130 HydrophobicContact CD2-CD2 4.41Å; F1113-F1130 HydrophobicContact CE1-CD2 4.31Å; F1113-F1130 HydrophobicContact CE2-CB 3.86Å; F1113-F1130 HydrophobicContact CG-CB 4.37Å; F1113-F1130 AromaticContact CG-CD2 3.95Å; F1113-F1130 HydrophobicContact CG-CD2 3.95Å; F1113-F1130 HydrophobicContact CZ-CB 4.15Å; F1113-L1133 HydrophobicContact CB-CD1 3.85Å; F1113-L1133 HydrophobicContact CD2-CD1 4.28Å
1114L86.7Confident80.2Confident1 Ų150.9 Ų50.91%0.00527%0.269CS..Hα-helixtrans-63.5-48.7177.2-70.1171000110.2E149 E150 Y376 I378 Y380 G1110 T1112 L1116 R1117E149-L1114 HydrophobicContact CB-CD2 4.43Å; E149-L1114 HydrophobicContact CG-CD2 3.77Å; E150-L1114 HydrophobicContact CG-CD2 4.5Å; Y376-L1114 HydrophobicContact CD1-CD1 4.06Å; Y376-L1114 HydrophobicContact CD2-CD1 3.71Å; Y376-L1114 HydrophobicContact CG-CD1 3.42Å; Y376-L1114 VanDerWaalsContact CG-CD1 3.42Å; I378-L1114 HydrophobicContact CB-CD1 4.47Å; I378-L1114 HydrophobicContact CD1-CB 4.09Å; Y380-L1114 HydrophobicContact CE2-CB 4.13Å; Y380-L1114 HydrophobicContact CE2-CD2 3.97Å; Y380-L1114 PolarHBondContact OH-O 3.06Å; G1110-L1114 WeakPolarHBondContact O-CG 3.36Å; G1110-L1114 PolarHBondContact O-N 3.2Å; T1112-L1114 PolarHBondContact O-N 3.41Å; L1114-L1116 PolarHBondContact O-N 3.05Å; L1114-R1117 WeakPolarHBondContact O-CB 3.41Å; L1114-R1117 PolarHBondContact O-N 3.15Å; L1114-R1117 VanDerWaalsContact O-N 3.08Å
1115N85.7Confident79.5Confident78 Ų7853.1 Ų53.142%0.41728%0.281SS..Hα-helixtrans-62.4-22.6179.7-74.2-28.8000114.5I378 S1035 Y1111 T1112 R1117I378-N1115 WeakPolarHBondContact CD1-OD1 3.49Å; S1035-N1115 PolarHBondContact O-ND2 2.97Å; Y1111-N1115 WeakPolarHBondContact O-CB 3.36Å; Y1111-N1115 VanDerWaalsContact O-CG 3.22Å; Y1111-N1115 PolarHBondContact O-N 3.43Å; Y1111-N1115 PolarHBondContact O-ND2 2.85Å; Y1111-N1115 VanDerWaalsContact O-ND2 3.16Å; T1112-N1115 PolarHBondContact O-N 3.09Å; N1115-R1117 VanDerWaalsContact C-N 3.27Å; N1115-R1117 PolarHBondContact O-N 2.88Å
1116L83.2Confident79Confident126 Ų12655.2 Ų55.266%0.6630%0.298SS*.THydrogen-bonded Turntrans-78.6-8.1177-74169000113.6T1112 F1113 L1114 L1133T1112-L1116 VanDerWaalsContact O-CG 3.23Å; T1112-L1116 WeakPolarHBondContact O-CG 3.49Å; T1112-L1116 PolarHBondContact O-N 3.04Å; F1113-L1116 PolarHBondContact O-N 3.32Å; L1114-L1116 PolarHBondContact O-N 3.05Å; L1116-L1133 HydrophobicContact CD1-CD1 4.08Å
1117R79.3Confident78.6Confident29 Ų2956.8 Ų56.811%0.10931%0.305CS..SBendtrans-85.9146.5-178-70.2178.5151.1-141.6-19.8112.1E149 L1114 N1115E149-R1117 VanDerWaalsContact CG-NH1 3.34Å; E149-R1117 IonicContact OE1-CZ 2.67Å; E149-R1117 IonicContact OE1-NH1 2.64Å; E149-R1117 PolarHBondContact OE1-NH1 3.25Å; E149-R1117 IonicContact OE2-NH1 2.76Å; L1114-R1117 WeakPolarHBondContact O-CB 3.41Å; L1114-R1117 PolarHBondContact O-N 3.15Å; L1114-R1117 VanDerWaalsContact O-N 3.08Å; N1115-R1117 VanDerWaalsContact C-N 3.27Å; N1115-R1117 PolarHBondContact O-N 2.88Å
1118S69.2Low78.3Confident40 Ų4061.5 Ų61.528%0.2833%0.331SS..  trans-76.4129.2171.170.30000109.8E1120 Q1123S1118-E1120 PolarHBondContact O-N 2.97Å; S1118-Q1123 PolarHBondContact OG-NE2 3.42Å
1119P64.9Low78Confident83 Ų8365.5 Ų65.554%0.53935%0.351SS..THydrogen-bonded Turntrans-67.9-18.8179.625.1-32.4000113.8Y380Y380-P1119 HydrophobicContact CD1-CB 4.07Å; Y380-P1119 HydrophobicContact CE1-CB 4.26Å
1120E58.2Low77.8Confident176 Ų17665.6 Ų65.682%0.82235%0.352SS*.THydrogen-bonded Turntrans-97.9-10.2-166.7-62.3179175.200115.5S1118S1118-E1120 PolarHBondContact O-N 2.97Å
1121K58.9Low77.6Confident153 Ų15365.7 Ų65.767%0.66535%0.352SS*.SBendtrans-128.8130.7-175-66.8-179.5-177.4174.70110Q1123K1121-Q1123 HydrophobicContact CB-CG 4.27Å; K1121-Q1123 PolarHBondContact O-N 3.1Å
1122N62.6Low77.4Confident118 Ų11872.3 Ų72.363%0.63138%0.381SS*.  trans-62.878.2165.7-69-33.8000109.1R146R146-N1122 PolarHBondContact NH1-OD1 3.04Å
1123Q65.8Low77.1Confident102 Ų10272.9 Ų72.948%0.47738%0.383SS..  trans-73.7143.4178-65.7-171.25.200109.8S1118 K1121S1118-Q1123 PolarHBondContact OG-NE2 3.42Å; K1121-Q1123 HydrophobicContact CB-CG 4.27Å; K1121-Q1123 PolarHBondContact O-N 3.1Å
1124C67.8Low76.8Confident124 Ų12472.7 Ų72.784%0.83838%0.382SS*.  trans-59.2144167.7-910000110.5A1126C1124-A1126 PolarHBondContact O-N 3.22Å; C1124-A1126 VanDerWaalsContact O-N 3.16Å
1125L75.3Confident76.2Confident48 Ų4873.2 Ų73.225%0.25139%0.385SS..  trans-67.7109.5175.3-77.3148.4000110.8F133 L137 P148 E149 E1127F133-L1125 HydrophobicContact CZ-CD2 4.2Å; L137-L1125 HydrophobicContact CD2-CD1 3.72Å; P148-L1125 HydrophobicContact CG-CD1 4.03Å; E149-L1125 HydrophobicContact CB-CD2 3.88Å; E149-L1125 HydrophobicContact CG-CD2 4.2Å; E149-L1125 WeakPolarHBondContact OE2-CD2 3.22Å; L1125-E1127 PolarHBondContact O-N 3.43Å; L1125-E1127 VanDerWaalsContact O-N 3.16Å
1126A80Confident75.5Confident43 Ų4372.3 Ų72.336%0.35540%0.395SS..  trans-81.682170.700000109.7C1124 D1128 I1129 F1130C1124-A1126 PolarHBondContact O-N 3.22Å; C1124-A1126 VanDerWaalsContact O-N 3.16Å; A1126-D1128 PolarHBondContact O-N 3.14Å; A1126-I1129 HydrophobicContact CB-CB 4.38Å; A1126-I1129 HydrophobicContact CB-CD1 3.77Å; A1126-I1129 HydrophobicContact CB-CG1 4.04Å; A1126-I1129 PolarHBondContact O-N 3.21Å; A1126-F1130 PolarHBondContact O-N 3.03Å
1127E82.7Confident74.7Confident36 Ų3670.6 Ų70.617%0.16838%0.384CS..Hα-helixtrans-55-39.7-178.1-58.4-174.9178.100112.1F133 R134 L1125 I1129 F1130 Y1131F133-E1127 HydrophobicContact CE1-CG 4.21Å; R134-E1127 IonicContact CZ-OE2 3.07Å; R134-E1127 IonicContact NE-OE1 3.81Å; R134-E1127 IonicContact NE-OE2 2.86Å; R134-E1127 PolarHBondContact NE-OE2 3.05Å; R134-E1127 IonicContact NH2-OE2 2.73Å; R134-E1127 PolarHBondContact NH2-OE2 3.34Å; L1125-E1127 PolarHBondContact O-N 3.43Å; L1125-E1127 VanDerWaalsContact O-N 3.16Å; E1127-I1129 VanDerWaalsContact C-N 3.27Å; E1127-I1129 PolarHBondContact O-N 3.42Å; E1127-F1130 WeakPolarHBondContact O-CB 3.38Å; E1127-F1130 PolarHBondContact O-N 3.46Å; E1127-F1130 VanDerWaalsContact O-N 3.09Å; E1127-Y1131 HydrophobicContact CB-CD2 4.44Å; E1127-Y1131 HydrophobicContact CB-CE2 4.09Å; E1127-Y1131 WeakPolarHBondContact O-CD2 3.48Å; E1127-Y1131 PolarHBondContact O-N 2.96Å
1128D83.9Confident73.8Confident102 Ų10272.9 Ų72.955%0.54541%0.405SS..Hα-helixtrans-60-35.5-178.5-57-15.6000112.8A1126 K1132A1126-D1128 PolarHBondContact O-N 3.14Å; D1128-K1132 VanDerWaalsContact O-CB 3.31Å; D1128-K1132 WeakPolarHBondContact O-CB 3.5Å; D1128-K1132 PolarHBondContact O-N 3.49Å
1129I85.6Confident73.4Confident84 Ų8477.2 Ų77.243%0.43142%0.421SS..Hα-helixtrans-71.5-40.6178.3-59.9178.1000109.8F1113 A1126 E1127 K1132 L1133F1113-I1129 HydrophobicContact CD2-CB 4.43Å; F1113-I1129 HydrophobicContact CD2-CG2 4.06Å; F1113-I1129 HydrophobicContact CE2-CB 4.23Å; F1113-I1129 HydrophobicContact CE2-CG2 4.31Å; A1126-I1129 HydrophobicContact CB-CB 4.38Å; A1126-I1129 HydrophobicContact CB-CD1 3.77Å; A1126-I1129 HydrophobicContact CB-CG1 4.04Å; A1126-I1129 PolarHBondContact O-N 3.21Å; E1127-I1129 VanDerWaalsContact C-N 3.27Å; E1127-I1129 PolarHBondContact O-N 3.42Å; I1129-K1132 PolarHBondContact O-N 3.2Å; I1129-L1133 HydrophobicContact CG2-CD1 3.92Å; I1129-L1133 HydrophobicContact CG2-CG 4.39Å; I1129-L1133 WeakPolarHBondContact O-CG 3.33Å; I1129-L1133 PolarHBondContact O-N 2.89Å
1130F85.9Confident73Confident3 Ų374.6 Ų74.61%0.01340%0.404CS..Hα-helixtrans-60.7-47177.1178.5-99.1000111.2F133 F1113 A1126 E1127 K1132 L1133 T1134F133-F1130 HydrophobicContact CB-CE1 4.42Å; F133-F1130 HydrophobicContact CD1-CD1 4.47Å; F133-F1130 HydrophobicContact CD2-CD1 4.16Å; F133-F1130 AromaticContact CD2-CE1 3.76Å; F133-F1130 HydrophobicContact CD2-CE1 3.76Å; F133-F1130 HydrophobicContact CD2-CZ 4.01Å; F133-F1130 HydrophobicContact CE2-CD1 4.28Å; F133-F1130 HydrophobicContact CE2-CD2 4.49Å; F133-F1130 HydrophobicContact CE2-CE1 4.17Å; F133-F1130 HydrophobicContact CE2-CE2 4.38Å; F133-F1130 HydrophobicContact CE2-CG 4.44Å; F133-F1130 HydrophobicContact CE2-CZ 4.22Å; F133-F1130 HydrophobicContact CG-CD1 4.26Å; F133-F1130 HydrophobicContact CG-CE1 4.06Å; F133-F1130 HydrophobicContact CZ-CD1 4.49Å; F133-F1130 HydrophobicContact CZ-CG 4.49Å; F1113-F1130 HydrophobicContact CB-CD2 4.29Å; F1113-F1130 AromaticContact CD1-CD2 3.91Å; F1113-F1130 HydrophobicContact CD1-CD2 3.91Å; F1113-F1130 HydrophobicContact CD2-CB 3.98Å; F1113-F1130 HydrophobicContact CD2-CD2 4.41Å; F1113-F1130 HydrophobicContact CE1-CD2 4.31Å; F1113-F1130 HydrophobicContact CE2-CB 3.86Å; F1113-F1130 HydrophobicContact CG-CB 4.37Å; F1113-F1130 AromaticContact CG-CD2 3.95Å; F1113-F1130 HydrophobicContact CG-CD2 3.95Å; F1113-F1130 HydrophobicContact CZ-CB 4.15Å; A1126-F1130 PolarHBondContact O-N 3.03Å; E1127-F1130 WeakPolarHBondContact O-CB 3.38Å; E1127-F1130 PolarHBondContact O-N 3.46Å; E1127-F1130 VanDerWaalsContact O-N 3.09Å; F1130-K1132 VanDerWaalsContact C-N 3.34Å; F1130-K1132 PolarHBondContact O-N 3.12Å; F1130-L1133 PolarHBondContact O-N 3.19Å; F1130-T1134 HydrophobicContact CD1-CG2 4.44Å; F1130-T1134 HydrophobicContact CD2-CG2 4.25Å; F1130-T1134 HydrophobicContact CE1-CG2 4.1Å; F1130-T1134 HydrophobicContact CE2-CG2 3.89Å; F1130-T1134 HydrophobicContact CZ-CG2 3.81Å; F1130-T1134 WeakPolarHBondContact O-CB 3.34Å; F1130-T1134 WeakPolarHBondContact O-CG2 3.16Å; F1130-T1134 PolarHBondContact O-N 3.39Å; F1130-T1134 PolarHBondContact O-OG1 3.03Å
1131Y84.9Confident72.6Confident2 Ų271.4 Ų71.41%0.00839%0.387CS..Hα-helixtrans-64.8-38.5176.9-66.4-56.8000112.5P131 E1127 L1133 T1134 T1135 G1136 M1137 P1140P131-Y1131 WeakPolarHBondContact CG-OH 3.44Å; E1127-Y1131 HydrophobicContact CB-CD2 4.44Å; E1127-Y1131 HydrophobicContact CB-CE2 4.09Å; E1127-Y1131 WeakPolarHBondContact O-CD2 3.48Å; E1127-Y1131 PolarHBondContact O-N 2.96Å; Y1131-L1133 VanDerWaalsContact C-N 3.31Å; Y1131-L1133 PolarHBondContact O-N 2.65Å; Y1131-T1134 WeakPolarHBondContact CA-OG1 3.37Å; Y1131-T1134 PolarHBondContact O-N 2.96Å; Y1131-T1134 PolarHBondContact O-OG1 2.79Å; Y1131-T1135 PolarHBondContact O-N 2.56Å; Y1131-T1135 PolarHBondContact O-OG1 3.3Å; Y1131-G1136 PolarHBondContact O-N 3.21Å; Y1131-M1137 CarbonylContact C-O 3.59Å; Y1131-M1137 VanDerWaalsContact CB-O 3.29Å; Y1131-M1137 WeakPolarHBondContact CB-O 3.46Å; Y1131-P1140 HydrophobicContact CD1-CB 4.36Å; Y1131-P1140 HydrophobicContact CD2-CG 4.46Å; Y1131-P1140 HydrophobicContact CE1-CB 4.1Å; Y1131-P1140 HydrophobicContact CE1-CG 4.47Å; Y1131-P1140 HydrophobicContact CE2-CG 4.05Å
1132K85.8Confident71.8Confident142 Ų14266.5 Ų66.562%0.61737%0.37SS*.Hα-helixtrans-61-40.3176.5-174.2177.5-179.9-179.50111.9D1128 I1129 F1130 G1136 M1137D1128-K1132 VanDerWaalsContact O-CB 3.31Å; D1128-K1132 WeakPolarHBondContact O-CB 3.5Å; D1128-K1132 PolarHBondContact O-N 3.49Å; I1129-K1132 PolarHBondContact O-N 3.2Å; F1130-K1132 VanDerWaalsContact C-N 3.34Å; F1130-K1132 PolarHBondContact O-N 3.12Å; K1132-G1136 WeakPolarHBondContact O-CA 3.49Å; K1132-G1136 PolarHBondContact O-N 3.46Å; K1132-G1136 VanDerWaalsContact O-N 3.09Å; K1132-M1137 WeakPolarHBondContact CA-O 3.39Å; K1132-M1137 PolarHBondContact N-O 3.07Å
1133L84.8Confident72.3Confident32 Ų3264 Ų6417%0.16836%0.357CS..Hα-helixtrans-77.2-32.1-179.3-68.2172.2000113.2W1060 F1113 L1116 I1129 F1130 Y1131W1060-L1133 HydrophobicContact CH2-CD2 3.88Å; W1060-L1133 HydrophobicContact CZ2-CB 4.45Å; W1060-L1133 HydrophobicContact CZ2-CD2 3.92Å; F1113-L1133 HydrophobicContact CB-CD1 3.85Å; F1113-L1133 HydrophobicContact CD2-CD1 4.28Å; L1116-L1133 HydrophobicContact CD1-CD1 4.08Å; I1129-L1133 HydrophobicContact CG2-CD1 3.92Å; I1129-L1133 HydrophobicContact CG2-CG 4.39Å; I1129-L1133 WeakPolarHBondContact O-CG 3.33Å; I1129-L1133 PolarHBondContact O-N 2.89Å; F1130-L1133 PolarHBondContact O-N 3.19Å; Y1131-L1133 VanDerWaalsContact C-N 3.31Å; Y1131-L1133 PolarHBondContact O-N 2.65Å
1134T81.7Confident72.6Confident4 Ų461.9 Ų61.93%0.02535%0.351CS..Hα-helixtrans-89-38.7-176.5530000113.5E1106 F1130 Y1131E1106-T1134 HydrophobicContact CB-CG2 4.48Å; E1106-T1134 HydrophobicContact CG-CG2 3.92Å; F1130-T1134 HydrophobicContact CD1-CG2 4.44Å; F1130-T1134 HydrophobicContact CD2-CG2 4.25Å; F1130-T1134 HydrophobicContact CE1-CG2 4.1Å; F1130-T1134 HydrophobicContact CE2-CG2 3.89Å; F1130-T1134 HydrophobicContact CZ-CG2 3.81Å; F1130-T1134 WeakPolarHBondContact O-CB 3.34Å; F1130-T1134 WeakPolarHBondContact O-CG2 3.16Å; F1130-T1134 PolarHBondContact O-N 3.39Å; F1130-T1134 PolarHBondContact O-OG1 3.03Å; Y1131-T1134 WeakPolarHBondContact CA-OG1 3.37Å; Y1131-T1134 PolarHBondContact O-N 2.96Å; Y1131-T1134 PolarHBondContact O-OG1 2.79Å
1135T75.1Confident72.9Confident12 Ų1258.5 Ų58.57%0.07432%0.324CS..Hα-helixtrans-117.2-16.3-174.766.30000114.3S327 Y1131 M1137S327-T1135 VanDerWaalsContact CB-CG2 3.46Å; S327-T1135 WeakPolarHBondContact OG-CG2 3.32Å; Y1131-T1135 PolarHBondContact O-N 2.56Å; Y1131-T1135 PolarHBondContact O-OG1 3.3Å; T1135-M1137 VanDerWaalsContact C-N 3.3Å; T1135-M1137 PolarHBondContact OG1-N 3Å
1136G69.4Low72.7Confident60 Ų6059.1 Ų59.162%0.61933%0.328SS*.SBendtrans84.1-1.4-171.900000114.5Y1131 K1132Y1131-G1136 PolarHBondContact O-N 3.21Å; K1132-G1136 WeakPolarHBondContact O-CA 3.49Å; K1132-G1136 PolarHBondContact O-N 3.46Å; K1132-G1136 VanDerWaalsContact O-N 3.09Å
1137M66.9Low72.3Confident89 Ų8960.1 Ų60.144%0.43833%0.326SS..SBendtrans-114.7145.6-179.3-59.7-170.174.300111Y1131 K1132 T1135 Q1139 F1141Y1131-M1137 CarbonylContact C-O 3.59Å; Y1131-M1137 VanDerWaalsContact CB-O 3.29Å; Y1131-M1137 WeakPolarHBondContact CB-O 3.46Å; K1132-M1137 WeakPolarHBondContact CA-O 3.39Å; K1132-M1137 PolarHBondContact N-O 3.07Å; T1135-M1137 VanDerWaalsContact C-N 3.3Å; T1135-M1137 PolarHBondContact OG1-N 3Å; M1137-Q1139 VanDerWaalsContact C-N 3.28Å; M1137-Q1139 PolarHBondContact O-N 3.27Å; M1137-F1141 HydrophobicContact SD-CD2 4.4Å; M1137-F1141 HydrophobicContact SD-CE1 3.92Å; M1137-F1141 HydrophobicContact SD-CE2 3.65Å; M1137-F1141 HydrophobicContact SD-CZ 3.37Å; M1137-F1141 WeakPolarHBondContact SD-CZ 3.13Å
1138S60.3Low71.6Confident77 Ų7761.7 Ų61.754%0.53834%0.337SS..SBendtrans-74.1-19.7178.451.70000113.4
1139Q59.9Low70.7Confident132 Ų13258.9 Ų58.962%0.61732%0.322SS*.SBendtrans-124.6143.9177.3-73.8-176.4-15.700110.3M1137M1137-Q1139 VanDerWaalsContact C-N 3.28Å; M1137-Q1139 PolarHBondContact O-N 3.27Å
1140P57.5Low69.6Low27 Ų2756.9 Ų56.918%0.17531%0.314CS..  trans-59.4154.6169.725.7-30.6000109.6P131 Y1131 V1142P131-P1140 HydrophobicContact CG-CG 4.37Å; Y1131-P1140 HydrophobicContact CD1-CB 4.36Å; Y1131-P1140 HydrophobicContact CD2-CG 4.46Å; Y1131-P1140 HydrophobicContact CE1-CB 4.1Å; Y1131-P1140 HydrophobicContact CE1-CG 4.47Å; Y1131-P1140 HydrophobicContact CE2-CG 4.05Å; P1140-V1142 HydrophobicContact CB-CG2 4.48Å; P1140-V1142 HydrophobicContact CG-CG2 4.13Å; P1140-V1142 PolarHBondContact O-N 2.92Å
1141F50Low68.2Low109 Ų10961.4 Ų61.448%0.47834%0.339SS..  trans-65.980.4175.7-79.5-89.1000110.1M1137M1137-F1141 HydrophobicContact SD-CD2 4.4Å; M1137-F1141 HydrophobicContact SD-CE1 3.92Å; M1137-F1141 HydrophobicContact SD-CE2 3.65Å; M1137-F1141 HydrophobicContact SD-CZ 3.37Å; M1137-F1141 WeakPolarHBondContact SD-CZ 3.13Å
1142V42.3Very low66.7Low51 Ų5166.8 Ų66.831%0.30937%0.369SS..  trans-99.80168.9-173.80000109.4K82 L85 K86 P1140K82-V1142 WeakPolarHBondContact CE-OXT 3.29Å; K82-V1142 PolarHBondContact NZ-OXT 3.28Å; L85-V1142 HydrophobicContact CB-CG1 4.07Å; L85-V1142 HydrophobicContact CD1-CG1 3.81Å; L85-V1142 HydrophobicContact CG-CG1 4.31Å; K86-V1142 WeakPolarHBondContact CE-O 3.26Å; K86-V1142 PolarHBondContact NZ-O 2.85Å; P1140-V1142 HydrophobicContact CB-CG2 4.48Å; P1140-V1142 HydrophobicContact CG-CG2 4.13Å; P1140-V1142 PolarHBondContact O-N 2.92Å

Retrieved 1,142 of 1,142 residues in 1226.7 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).