G4VSH5_SCHMA Loading...

Putative short chain dehydrogenase

AlphaFold DB , UniProt , Accession G4VSH5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 323 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M65.9Low88.8Confident223 Ų22396.1 Ų96.1100%1.09949%0.488SS*.  0154.40-76.4-176.3-84.300109
2S87.4Confident89.5Confident86 Ų8688.4 Ų88.460%0.60145%0.45SS*.  trans-74.5131.5-177.2-176.20000111.8T4S2-T4 WeakPolarHBondContact CB-O 3.13Å; S2-T4 PolarHBondContact O-N 3.17Å; S2-T4 PolarHBondContact OG-N 2.91Å; S2-T4 PolarHBondContact OG-O 3.32Å
3E94.1Very high90Very high57 Ų5782.8 Ų82.827%0.26642%0.423SS..SBendtrans-66.9-12.1172.9-67.2-172.3-176.500112.8C13 I14 Y275 S279 N281E3-C13 PolarHBondContact O-N 3.47Å; E3-I14 HydrophobicContact CB-CD1 4.13Å; E3-I14 HydrophobicContact CB-CG1 3.82Å; E3-I14 HydrophobicContact CG-CD1 4.25Å; E3-I14 HydrophobicContact CG-CG1 4.02Å; E3-Y275 HydrophobicContact CB-CE2 4.04Å; E3-Y275 WeakPolarHBondContact OE2-CE2 3.33Å; E3-Y275 PolarHBondContact OE2-OH 3.22Å; E3-S279 PolarHBondContact OE2-OG 3.19Å; E3-N281 PolarHBondContact OE1-ND2 3.1Å
4T95.6Very high90.5Very high19 Ų1978.6 Ų78.612%0.11740%0.402CS..EExtended strand (participates in β ladder)trans-142.7155.1-175.9620000112.8S2 A11 Y275 C291S2-T4 WeakPolarHBondContact CB-O 3.13Å; S2-T4 PolarHBondContact O-N 3.17Å; S2-T4 PolarHBondContact OG-N 2.91Å; S2-T4 PolarHBondContact OG-O 3.32Å; T4-A11 CarbonylContact C-O 3.47Å; T4-A11 WeakPolarHBondContact CA-O 3.4Å; T4-A11 WeakPolarHBondContact CB-O 3.49Å; T4-Y275 HydrophobicContact CG2-CD2 3.85Å; T4-Y275 HydrophobicContact CG2-CE2 3.88Å; T4-C291 HydrophobicContact CG2-CB 3.43Å; T4-C291 VanDerWaalsContact CG2-CB 3.43Å
5I94.8Very high90.9Very high90 Ų9076.9 Ų76.946%0.46240%0.399SS..EExtended strand (participates in β ladder)trans-128.1152.2171.7-167.3168.3000110.7K10 A11I5-K10 CarbonylContact O-C 3.48Å; I5-K10 VanDerWaalsContact O-CA 3.23Å; I5-K10 WeakPolarHBondContact O-CA 3.32Å; I5-A11 HydrophobicContact CG2-CB 4.14Å; I5-A11 PolarHBondContact N-O 2.85Å; I5-A11 PolarHBondContact O-N 2.96Å
6G92.4Very high91.2Very high39 Ų3976.3 Ų76.340%0.40239%0.393SS..  trans106.1150.1177.800000113.2
7I85.5Confident91.6Very high145 Ų14576.5 Ų76.574%0.74439%0.387SS*.SBendtrans-94.6-58.9-176.4-58.7174.3000110
8W83.9Confident92Very high218 Ų21872.6 Ų72.683%0.82637%0.367SS*.SBendtrans-84.3-42.3-176.1-57.8109.2000113.1N290W8-N290 PolarHBondContact O-ND2 3.04Å
9H88.1Confident92.4Very high97 Ų9773.6 Ų73.645%0.44937%0.374SS..SBendtrans-125.6111.7174.7-64.8-64.2000108.4N290H9-N290 WeakPolarHBondContact CA-OD1 3.33Å
10K93.8Very high92.6Very high72 Ų7272.9 Ų72.931%0.31339%0.386SS..  trans-77.5136.7177.4-71.1-171.3171.5-166.90110.1I5 N290 C291I5-K10 CarbonylContact O-C 3.48Å; I5-K10 VanDerWaalsContact O-CA 3.23Å; I5-K10 WeakPolarHBondContact O-CA 3.32Å; K10-N290 WeakPolarHBondContact CD-O 3.22Å; K10-N290 PolarHBondContact N-OD1 3.19Å; K10-C291 HydrophobicContact CB-CB 4Å
11A95.7Very high92.9Very high11 Ų1172.9 Ų72.99%0.09138%0.383CS..EExtended strand (participates in β ladder)trans-110.5146.8169.300000109.7T4 I5 A81 W267 Q271T4-A11 CarbonylContact C-O 3.47Å; T4-A11 WeakPolarHBondContact CA-O 3.4Å; T4-A11 WeakPolarHBondContact CB-O 3.49Å; I5-A11 HydrophobicContact CG2-CB 4.14Å; I5-A11 PolarHBondContact N-O 2.85Å; I5-A11 PolarHBondContact O-N 2.96Å; A11-A81 HydrophobicContact CB-CB 3.59Å; A11-W267 HydrophobicContact CB-CH2 4.11Å; A11-W267 HydrophobicContact CB-CZ3 4.5Å; A11-Q271 HydrophobicContact CB-CG 4.11Å
12C96.4Very high94.5Very high4 Ų462.5 Ų62.53%0.02733%0.331CS..EExtended strand (participates in β ladder)trans-79.8122.7-177.5-176.80000110.2A81 L274C12-A81 WeakPolarHBondContact O-CB 3.25Å; C12-L274 HydrophobicContact CB-CB 4.4Å
13C96.8Very high95Very high15 Ų1558.4 Ų58.410%0.10130%0.303CS..  trans-106.59.6-179.5-86.30000113.6E3 S15 C82E3-C13 PolarHBondContact O-N 3.47Å; C13-S15 PolarHBondContact O-N 2.7Å; C13-C82 WeakPolarHBondContact CA-SG 3.41Å; C13-C82 HydrophobicContact CB-CB 4.4Å; C13-C82 WeakPolarHBondContact CB-SG 3.32Å; C13-C82 WeakPolarHBondContact SG-CB 3.43Å; C13-C82 CovalentContact SG-SG 2.03Å; C13-C82 PolarHBondContact SG-SG 3.21Å
14I97.2Very high95.3Very high25 Ų2555.7 Ų55.713%0.12829%0.29CS..  trans-70.2115.6-180-57.9170.9000108.9E3 K16 R43 Y275 L278E3-I14 HydrophobicContact CB-CD1 4.13Å; E3-I14 HydrophobicContact CB-CG1 3.82Å; E3-I14 HydrophobicContact CG-CD1 4.25Å; E3-I14 HydrophobicContact CG-CG1 4.02Å; I14-K16 HydrophobicContact CG2-CB 3.97Å; I14-K16 PolarHBondContact O-N 3.32Å; I14-R43 PolarHBondContact O-NH2 3.01Å; I14-Y275 HydrophobicContact CD1-CD2 3.97Å; I14-Y275 HydrophobicContact CD1-CE2 4.17Å; I14-L278 HydrophobicContact CB-CB 3.97Å; I14-L278 HydrophobicContact CB-CD1 4.47Å; I14-L278 HydrophobicContact CD1-CB 4.11Å; I14-L278 HydrophobicContact CG2-CB 3.78Å
15S95.7Very high95.4Very high52 Ų5254.8 Ų54.836%0.36429%0.285SS..  trans-91.686.7176.1-163.90000109.6C13 Q84 S87 S88C13-S15 PolarHBondContact O-N 2.7Å; S15-Q84 WeakPolarHBondContact CB-O 2.85Å; S15-Q84 PolarHBondContact OG-O 3.49Å; S15-S87 PolarHBondContact OG-OG 3.04Å; S15-S88 VanDerWaalsContact OG-CB 3.3Å; S15-S88 WeakPolarHBondContact OG-CB 3.49Å; S15-S88 PolarHBondContact OG-OG 3.04Å
16K96.7Very high95.6Very high68 Ų6850.5 Ų50.530%0.29626%0.263SS..  trans-133.6130.6-178.1-177.1170.9-171.8163.10110.2I14 R43 L278 D280I14-K16 HydrophobicContact CG2-CB 3.97Å; I14-K16 PolarHBondContact O-N 3.32Å; K16-R43 WeakPolarHBondContact O-CD 3.3Å; K16-L278 HydrophobicContact CB-CD2 4.2Å; K16-L278 WeakPolarHBondContact CD-O 3.44Å; K16-D280 IonicContact NZ-OD1 3.04Å; K16-D280 PolarHBondContact NZ-OD1 3.06Å; K16-D280 IonicContact NZ-OD2 3.5Å; K16-D280 PolarHBondContact NZ-OD2 3.28Å
17R98.1Very high95.8Very high79 Ų7949.6 Ų49.630%0.29825%0.254SS..  trans-80.6152.5172-71.9-61-60.6179.4-8111.2D19 R42 R43 S88 S90R17-D19 WeakPolarHBondContact CB-OD2 3.09Å; R17-D19 IonicContact CZ-OD1 3.91Å; R17-D19 IonicContact CZ-OD2 2.67Å; R17-D19 IonicContact NE-OD1 2.75Å; R17-D19 IonicContact NE-OD2 3.72Å; R17-D19 PolarHBondContact NE-OD2 3.3Å; R17-D19 IonicContact NH2-OD1 2.86Å; R17-D19 PolarHBondContact NH2-OD1 2.77Å; R17-D19 IonicContact NH2-OD2 3.73Å; R17-D19 PolarHBondContact NH2-OD2 2.77Å; R17-R42 PolarHBondContact NH1-O 3.4Å; R17-R43 PolarHBondContact NE-O 2.91Å; R17-R43 VanDerWaalsContact NE-O 3.15Å; R17-R43 VanDerWaalsContact NH1-CA 3.26Å; R17-R43 PolarHBondContact NH1-O 3.07Å; R17-R43 PolarHBondContact NH2-O 3.42Å; R17-S88 WeakPolarHBondContact CD-O 3.43Å; R17-S88 PolarHBondContact NH1-O 2.83Å; R17-S90 PolarHBondContact NH1-OG 2.95Å; R17-S90 PolarHBondContact NH2-OG 3.44Å
18L98.5Very high96.4Very high6 Ų642.7 Ų42.73%0.03122%0.218CC..  trans-125.725.5-179.9-59.5-180000111G20 K21 L40 R43 G44 A45 F126 V277 L278L18-G20 PolarHBondContact O-N 3.35Å; L18-K21 HydrophobicContact CB-CB 4.29Å; L18-K21 HydrophobicContact CB-CG 4.35Å; L18-K21 VanDerWaalsContact O-CB 3.23Å; L18-K21 WeakPolarHBondContact O-CB 3.37Å; L18-K21 WeakPolarHBondContact O-CG 3.26Å; L18-K21 PolarHBondContact O-N 2.9Å; L18-L40 HydrophobicContact CD1-CB 4.45Å; L18-L40 HydrophobicContact CD1-CD2 3.5Å; L18-L40 VanDerWaalsContact CD1-CD2 3.5Å; L18-R43 WeakPolarHBondContact CA-O 3.29Å; L18-R43 HydrophobicContact CB-CB 4.15Å; L18-R43 HydrophobicContact CD1-CB 3.99Å; L18-R43 HydrophobicContact CG-CB 3.94Å; L18-R43 PolarHBondContact N-O 3.03Å; L18-G44 CarbonylContact O-C 3.49Å; L18-A45 HydrophobicContact CB-CB 3.87Å; L18-A45 HydrophobicContact CD1-CB 4.29Å; L18-A45 WeakPolarHBondContact O-CA 3.32Å; L18-A45 PolarHBondContact O-N 3.03Å; L18-F126 HydrophobicContact CD1-CE2 4.35Å; L18-F126 HydrophobicContact CD2-CE2 3.89Å; L18-F126 HydrophobicContact CD2-CZ 3.91Å; L18-V277 HydrophobicContact CD1-CG1 4.19Å; L18-L278 HydrophobicContact CD1-CD2 4.13Å; L18-L278 HydrophobicContact CD2-CD2 4.02Å; L18-L278 HydrophobicContact CG-CD2 4.18Å
19D98.3Very high97Very high93 Ų9333.9 Ų33.950%0.49719%0.187SC..THydrogen-bonded Turntrans-55.8138.2175.5-60.6-63.6000110.7R17 K21 G44R17-D19 WeakPolarHBondContact CB-OD2 3.09Å; R17-D19 IonicContact CZ-OD1 3.91Å; R17-D19 IonicContact CZ-OD2 2.67Å; R17-D19 IonicContact NE-OD1 2.75Å; R17-D19 IonicContact NE-OD2 3.72Å; R17-D19 PolarHBondContact NE-OD2 3.3Å; R17-D19 IonicContact NH2-OD1 2.86Å; R17-D19 PolarHBondContact NH2-OD1 2.77Å; R17-D19 IonicContact NH2-OD2 3.73Å; R17-D19 PolarHBondContact NH2-OD2 2.77Å; D19-K21 PolarHBondContact O-N 3.13Å; D19-G44 WeakPolarHBondContact OD1-CA 3.33Å
20G97.8Very high97.3Very high59 Ų5931.9 Ų31.961%0.60818%0.182SC*.THydrogen-bonded Turntrans711.9-175.200000114.9L18L18-G20 PolarHBondContact O-N 3.35Å
21K98.6Very high97.3Very high72 Ų7229.1 Ų29.131%0.31317%0.174SC..  trans-93.8143.2177.8-53.1-61.6174.5-172.50111.6L18 D19 A45 R46 H125 F126L18-K21 HydrophobicContact CB-CB 4.29Å; L18-K21 HydrophobicContact CB-CG 4.35Å; L18-K21 VanDerWaalsContact O-CB 3.23Å; L18-K21 WeakPolarHBondContact O-CB 3.37Å; L18-K21 WeakPolarHBondContact O-CG 3.26Å; L18-K21 PolarHBondContact O-N 2.9Å; D19-K21 PolarHBondContact O-N 3.13Å; K21-A45 WeakPolarHBondContact O-CA 3.46Å; K21-R46 PolarHBondContact O-N 3.25Å; K21-H125 HydrophobicContact CB-CB 4.3Å; K21-H125 HydrophobicContact CD-CB 4.16Å; K21-H125 VanDerWaalsContact CD-CD2 3.42Å; K21-H125 WeakPolarHBondContact CD-CD2 3.17Å; K21-H125 VanDerWaalsContact CD-CE1 3.5Å; K21-H125 WeakPolarHBondContact CD-CE1 3.02Å; K21-H125 VanDerWaalsContact CD-NE2 3.32Å; K21-H125 WeakPolarHBondContact CD-NE2 3.18Å; K21-H125 PolarHBondContact NZ-CD2 2.9Å; K21-H125 PolarHBondContact NZ-NE2 2.89Å; K21-F126 HydrophobicContact CB-CD2 4.42Å; K21-F126 HydrophobicContact CB-CE2 3.81Å; K21-F126 HydrophobicContact CG-CE2 4.16Å
22L98.8Very high97.2Very high5 Ų529.4 Ų29.43%0.02617%0.174CC..EExtended strand (participates in β ladder)trans-109130.5173.1-172.769.9000110R46 I48 Y121 E123 L124 H125 F126L22-R46 WeakPolarHBondContact CA-O 3.25Å; L22-R46 HydrophobicContact CD1-CB 3.68Å; L22-I48 HydrophobicContact CD1-CD1 4.03Å; L22-I48 HydrophobicContact CD1-CG1 4.17Å; L22-I48 HydrophobicContact CD2-CD1 3.89Å; L22-I48 HydrophobicContact CG-CD1 4.19Å; L22-Y121 HydrophobicContact CD1-CD1 4.41Å; L22-Y121 HydrophobicContact CD1-CE1 4.46Å; L22-Y121 HydrophobicContact CD2-CD1 3.59Å; L22-Y121 HydrophobicContact CD2-CD2 4.39Å; L22-Y121 HydrophobicContact CD2-CE1 4.32Å; L22-Y121 HydrophobicContact CD2-CG 3.64Å; L22-E123 WeakPolarHBondContact CD2-O 3.48Å; L22-L124 HydrophobicContact CD2-CD1 4.45Å; L22-L124 HydrophobicContact CG-CD1 4.4Å; L22-H125 PolarHBondContact N-ND1 2.98Å; L22-H125 PolarHBondContact O-N 3.32Å; L22-F126 PolarHBondContact O-N 3.29Å
23A98.9Very high97.3Very high0 Ų029.2 Ų29.20%017%0.173CC..EExtended strand (participates in β ladder)trans-122.3145.3174.400000111.5L40 R46 V47 I48 F126A23-L40 HydrophobicContact CB-CD1 3.81Å; A23-R46 PolarHBondContact N-O 2.83Å; A23-V47 CarbonylContact O-C 3.59Å; A23-V47 WeakPolarHBondContact O-CA 3.22Å; A23-I48 PolarHBondContact O-N 3.28Å; A23-F126 CarbonylContact C-O 3.55Å; A23-F126 VanDerWaalsContact CA-O 3.24Å; A23-F126 WeakPolarHBondContact CA-O 3.39Å; A23-F126 HydrophobicContact CB-CB 3.87Å; A23-F126 HydrophobicContact CB-CD2 4.21Å
24I98.9Very high97.3Very high0 Ų029.3 Ų29.30%017%0.172CC..EExtended strand (participates in β ladder)trans-108.1129.9162.9-68.1166.5000107.7T26 I48 A50 F113 I117 L124 F126 L127 I128 L163I24-T26 HydrophobicContact CG2-CG2 4.34Å; I24-I48 HydrophobicContact CD1-CD1 4.35Å; I24-I48 HydrophobicContact CG1-CB 3.86Å; I24-I48 HydrophobicContact CG1-CD1 3.79Å; I24-I48 HydrophobicContact CG1-CG1 4.41Å; I24-I48 HydrophobicContact CG1-CG2 4.21Å; I24-A50 HydrophobicContact CG2-CB 3.99Å; I24-F113 HydrophobicContact CD1-CE1 4.22Å; I24-F113 HydrophobicContact CD1-CZ 4.21Å; I24-F113 HydrophobicContact CG2-CZ 4.1Å; I24-I117 HydrophobicContact CD1-CG1 4.37Å; I24-I117 HydrophobicContact CD1-CG2 3.91Å; I24-L124 HydrophobicContact CB-CD1 4.26Å; I24-L124 HydrophobicContact CD1-CD1 3.71Å; I24-L124 HydrophobicContact CD1-CD2 3.59Å; I24-L124 HydrophobicContact CD1-CG 4.31Å; I24-L124 HydrophobicContact CG1-CD1 3.67Å; I24-L124 HydrophobicContact CG1-CD2 4.44Å; I24-F126 PolarHBondContact N-O 3.29Å; I24-L127 HydrophobicContact CB-CD1 3.98Å; I24-L127 HydrophobicContact CG2-CD1 3.94Å; I24-I128 PolarHBondContact O-N 2.87Å; I24-L163 HydrophobicContact CD1-CD1 3.83Å
25V98.9Very high97.4Very high0 Ų029 Ų290%017%0.171CC..EExtended strand (participates in β ladder)trans-121.8111.4172.4-1730000109.2S28 T36 A37 L40 V47 I48 A50 I128 N130V25-S28 WeakPolarHBondContact O-CB 3.32Å; V25-S28 PolarHBondContact O-OG 3.22Å; V25-T36 HydrophobicContact CG1-CG2 4.43Å; V25-T36 HydrophobicContact CG2-CG2 4.32Å; V25-A37 HydrophobicContact CG2-CB 4.44Å; V25-L40 HydrophobicContact CG2-CD1 3.97Å; V25-V47 HydrophobicContact CB-CG1 4.5Å; V25-V47 HydrophobicContact CG2-CG1 3.87Å; V25-I48 PolarHBondContact N-O 3.1Å; V25-A50 PolarHBondContact O-N 3.43Å; V25-I128 HydrophobicContact CB-CB 4.45Å; V25-I128 HydrophobicContact CG1-CB 4.31Å; V25-I128 HydrophobicContact CG1-CG2 4.41Å; V25-I128 HydrophobicContact CG2-CB 4.12Å; V25-I128 HydrophobicContact CG2-CG1 4.06Å; V25-N130 HydrophobicContact CG1-CB 4.29Å
26T98.8Very high97.5Very high0 Ų026.6 Ų26.60%015%0.154CC..EExtended strand (participates in β ladder)trans-76.7139.6179.365.10000111.3I24 S28 A50 L102 I128 N130 A131 L159I24-T26 HydrophobicContact CG2-CG2 4.34Å; T26-S28 VanDerWaalsContact C-N 3.34Å; T26-S28 PolarHBondContact O-N 2.91Å; T26-A50 CarbonylContact C-O 3.51Å; T26-A50 WeakPolarHBondContact CA-O 3.33Å; T26-A50 HydrophobicContact CG2-CB 4.41Å; T26-L102 HydrophobicContact CG2-CD2 3.74Å; T26-I128 PolarHBondContact N-O 2.87Å; T26-I128 PolarHBondContact OG1-O 3.32Å; T26-N130 WeakPolarHBondContact O-CB 3.39Å; T26-N130 PolarHBondContact O-ND2 3.29Å; T26-N130 PolarHBondContact OG1-N 2.87Å; T26-A131 PolarHBondContact O-N 3.34Å; T26-A131 VanDerWaalsContact O-N 3.13Å; T26-A131 WeakPolarHBondContact OG1-CB 3.05Å; T26-A131 PolarHBondContact OG1-N 3.31Å; T26-L159 HydrophobicContact CG2-CD2 3.63Å
27G96.9Very high97.6Very high21 Ų2123.3 Ų23.322%0.21614%0.14CC..THydrogen-bonded Turntrans66.935.2179.700000113N29 A50G27-N29 VanDerWaalsContact C-N 3.31Å; G27-N29 PolarHBondContact O-N 2.69Å; G27-A50 PolarHBondContact N-O 3.47Å
28S97.6Very high97.6Very high0 Ų019.6 Ų19.60%013%0.126CC..THydrogen-bonded Turntrans-86.310.6-173.342.60000114.7V25 T26 T30 L34 M49 A50V25-S28 WeakPolarHBondContact O-CB 3.32Å; V25-S28 PolarHBondContact O-OG 3.22Å; T26-S28 VanDerWaalsContact C-N 3.34Å; T26-S28 PolarHBondContact O-N 2.91Å; S28-T30 VanDerWaalsContact C-N 3.33Å; S28-L34 VanDerWaalsContact O-CA 3.29Å; S28-L34 WeakPolarHBondContact O-CA 3.2Å; S28-L34 WeakPolarHBondContact O-CB 3.48Å; S28-L34 WeakPolarHBondContact O-CD1 3.36Å; S28-M49 VanDerWaalsContact O-CE 3.22Å; S28-M49 WeakPolarHBondContact O-CE 3.29Å; S28-M49 WeakPolarHBondContact OG-CA 3.37Å; S28-M49 WeakPolarHBondContact OG-CB 3.4Å; S28-A50 PolarHBondContact OG-N 3.42Å
29N96Very high97.6Very high32 Ų3219.5 Ų19.517%0.17113%0.125CC..THydrogen-bonded Turntrans-81.2-11.2174.865-75.1000113.5G27 C51 A57 A60 R63G27-N29 VanDerWaalsContact C-N 3.31Å; G27-N29 PolarHBondContact O-N 2.69Å; N29-C51 HydrophobicContact CB-CB 4.43Å; N29-C51 PolarHBondContact N-SG 3.14Å; N29-C51 VanDerWaalsContact N-SG 3.4Å; N29-A57 HydrophobicContact CB-CB 4.41Å; N29-A60 HydrophobicContact CB-CB 4.18Å; N29-A60 VanDerWaalsContact O-CB 3.31Å; N29-A60 WeakPolarHBondContact O-CB 3.44Å; N29-R63 PolarHBondContact O-NH2 3.1Å
30T94.5Very high97.6Very high55 Ų5515.1 Ų15.134%0.33710%0.102SC..SBendtrans-156.5171.4179.1-167.70000112.5S28 L34S28-T30 VanDerWaalsContact C-N 3.33Å; T30-L34 PolarHBondContact O-N 2.93Å; T30-L34 VanDerWaalsContact O-N 3.15Å
31G93.7Very high97.7Very high14 Ų1412.3 Ų12.314%0.1447%0.073CC..Hα-helixtrans57.3-141.916900000114.2G33 L34 V35G31-G33 VanDerWaalsContact C-N 3.3Å; G31-G33 PolarHBondContact O-N 3.04Å; G31-L34 PolarHBondContact O-N 3.3Å; G31-V35 PolarHBondContact O-N 3.08Å
32I95Very high97.7Very high18 Ų188.9 Ų8.99%0.0926%0.058CC..Hα-helixtrans-61.7-38.9-176.5-60159.1000111.1L34 V35 T36 P236 V239 T241 A270I32-L34 PolarHBondContact O-N 3.18Å; I32-V35 PolarHBondContact O-N 3.15Å; I32-T36 WeakPolarHBondContact O-CB 3.25Å; I32-T36 PolarHBondContact O-N 3Å; I32-T36 PolarHBondContact O-OG1 3.11Å; I32-P236 HydrophobicContact CD1-CB 3.69Å; I32-P236 HydrophobicContact CD1-CG 3.78Å; I32-V239 HydrophobicContact CD1-CB 4.03Å; I32-V239 HydrophobicContact CD1-CG1 4.18Å; I32-V239 HydrophobicContact CD1-CG2 3.76Å; I32-V239 HydrophobicContact CG1-CB 4.37Å; I32-V239 HydrophobicContact CG1-CG1 3.95Å; I32-V239 HydrophobicContact CG1-CG2 4.25Å; I32-T241 HydrophobicContact CD1-CG2 4.26Å; I32-T241 HydrophobicContact CG1-CG2 4.19Å; I32-A270 HydrophobicContact CG2-CB 4.16Å
33G97.2Very high97.7Very high0 Ų08.8 Ų8.80%06%0.057CC..Hα-helixtrans-62.8-41.1178.900000112.4G31 T36 A37 N130G31-G33 VanDerWaalsContact C-N 3.3Å; G31-G33 PolarHBondContact O-N 3.04Å; G33-T36 PolarHBondContact O-N 3.33Å; G33-A37 WeakPolarHBondContact O-CB 3.18Å; G33-A37 PolarHBondContact O-N 2.67Å; G33-N130 WeakPolarHBondContact CA-ND2 3.37Å; G33-N130 PolarHBondContact N-ND2 3.49Å; G33-N130 PolarHBondContact N-OD1 2.67Å
34L97.9Very high97.6Very high16 Ų169.3 Ų9.38%0.0846%0.063CC..Hα-helixtrans-63.2-45.9177.2-178.163.1000111.8S28 T30 G31 I32 A37 S38 M49 A60 L64S28-L34 VanDerWaalsContact O-CA 3.29Å; S28-L34 WeakPolarHBondContact O-CA 3.2Å; S28-L34 WeakPolarHBondContact O-CB 3.48Å; S28-L34 WeakPolarHBondContact O-CD1 3.36Å; T30-L34 PolarHBondContact O-N 2.93Å; T30-L34 VanDerWaalsContact O-N 3.15Å; G31-L34 PolarHBondContact O-N 3.3Å; I32-L34 PolarHBondContact O-N 3.18Å; L34-A37 PolarHBondContact O-N 2.9Å; L34-S38 PolarHBondContact O-N 2.81Å; L34-M49 HydrophobicContact CD1-CE 3.91Å; L34-A60 HydrophobicContact CD1-CB 3.8Å; L34-L64 HydrophobicContact CD1-CD1 3.63Å; L34-L64 HydrophobicContact CD1-CD2 3.85Å; L34-L64 HydrophobicContact CD1-CG 3.67Å; L34-L64 HydrophobicContact CG-CD2 3.99Å; L34-L64 HydrophobicContact CG-CG 4.37Å
35V98Very high97.6Very high20 Ų209.3 Ų9.312%0.1216%0.063CC..Hα-helixtrans-67.3-39.9177.5-178.60000111.3G31 I32 A37 S38 E39 P266 W267 A270G31-V35 PolarHBondContact O-N 3.08Å; I32-V35 PolarHBondContact O-N 3.15Å; V35-A37 VanDerWaalsContact C-N 3.32Å; V35-A37 PolarHBondContact O-N 2.67Å; V35-S38 WeakPolarHBondContact CA-OG 3.38Å; V35-S38 PolarHBondContact O-N 2.53Å; V35-S38 PolarHBondContact O-OG 3.18Å; V35-E39 HydrophobicContact CG1-CG 3.93Å; V35-E39 WeakPolarHBondContact O-CB 3.19Å; V35-E39 WeakPolarHBondContact O-CG 3.43Å; V35-E39 PolarHBondContact O-N 3.35Å; V35-P266 HydrophobicContact CG2-CB 3.89Å; V35-W267 HydrophobicContact CG1-CB 4.21Å; V35-W267 HydrophobicContact CG1-CG 4.37Å; V35-A270 HydrophobicContact CB-CB 4.16Å; V35-A270 HydrophobicContact CG1-CB 3.94Å
36T98.6Very high97.6Very high0 Ų014.9 Ų14.90%08%0.084CC..Hα-helixtrans-59.7-46.3175.4-56.30000110.3V25 I32 G33 S38 E39 L40 I128 T273V25-T36 HydrophobicContact CG1-CG2 4.43Å; V25-T36 HydrophobicContact CG2-CG2 4.32Å; I32-T36 WeakPolarHBondContact O-CB 3.25Å; I32-T36 PolarHBondContact O-N 3Å; I32-T36 PolarHBondContact O-OG1 3.11Å; G33-T36 PolarHBondContact O-N 3.33Å; T36-S38 PolarHBondContact O-N 2.79Å; T36-E39 PolarHBondContact O-N 2.81Å; T36-L40 HydrophobicContact CG2-CD1 4.07Å; T36-L40 HydrophobicContact CG2-CG 4.37Å; T36-L40 VanDerWaalsContact O-CG 3.23Å; T36-L40 WeakPolarHBondContact O-CG 3.4Å; T36-L40 PolarHBondContact O-N 3.39Å; T36-I128 HydrophobicContact CG2-CG2 4.31Å; T36-T273 HydrophobicContact CG2-CG2 3.85Å
37A98.8Very high97.6Very high0 Ų014.9 Ų14.90%08%0.084CC..Hα-helixtrans-59.9-44.1176.800000112.4V25 G33 L34 V35 A41 V47 M49V25-A37 HydrophobicContact CG2-CB 4.44Å; G33-A37 WeakPolarHBondContact O-CB 3.18Å; G33-A37 PolarHBondContact O-N 2.67Å; L34-A37 PolarHBondContact O-N 2.9Å; V35-A37 VanDerWaalsContact C-N 3.32Å; V35-A37 PolarHBondContact O-N 2.67Å; A37-A41 WeakPolarHBondContact O-CB 3.36Å; A37-A41 PolarHBondContact O-N 2.81Å; A37-V47 HydrophobicContact CB-CG1 3.83Å; A37-M49 HydrophobicContact CB-CG 4.4Å
38S98.5Very high97.7Very high0 Ų013.9 Ų13.90%07%0.073CC..Hα-helixtrans-65.5-42178.564.40000112.6L34 V35 T36 A41 R42L34-S38 PolarHBondContact O-N 2.81Å; V35-S38 WeakPolarHBondContact CA-OG 3.38Å; V35-S38 PolarHBondContact O-N 2.53Å; V35-S38 PolarHBondContact O-OG 3.18Å; T36-S38 PolarHBondContact O-N 2.79Å; S38-A41 PolarHBondContact O-N 3.25Å; S38-R42 WeakPolarHBondContact O-CB 3.38Å; S38-R42 WeakPolarHBondContact O-CG 3.33Å; S38-R42 PolarHBondContact O-N 2.72Å
39E98.4Very high97.8Very high5 Ų513.9 Ų13.92%0.0237%0.073CC..Hα-helixtrans-67.1-38.3-178.9-71.4-72122.700112.1V35 T36 R42 R43 L274V35-E39 HydrophobicContact CG1-CG 3.93Å; V35-E39 WeakPolarHBondContact O-CB 3.19Å; V35-E39 WeakPolarHBondContact O-CG 3.43Å; V35-E39 PolarHBondContact O-N 3.35Å; T36-E39 PolarHBondContact O-N 2.81Å; E39-R42 IonicContact OE1-CZ 2.69Å; E39-R42 IonicContact OE1-NH1 3.76Å; E39-R42 PolarHBondContact OE1-NH1 3.15Å; E39-R43 WeakPolarHBondContact O-CG 3.35Å; E39-R43 PolarHBondContact O-N 2.82Å; E39-L274 HydrophobicContact CB-CD1 3.77Å; E39-L274 HydrophobicContact CB-CD2 3.52Å; E39-L274 HydrophobicContact CB-CG 4.25Å; E39-L274 HydrophobicContact CG-CD1 3.73Å; E39-L274 HydrophobicContact CG-CD2 4.4Å
40L98.8Very high97.9Very high0 Ų012.4 Ų12.40%07%0.066CC..Hα-helixtrans-66.3-43.6173.1-63.5178.6000111.6L18 A23 V25 T36 R43 G44 A45 V47 I128 L274 V277L18-L40 HydrophobicContact CD1-CB 4.45Å; L18-L40 HydrophobicContact CD1-CD2 3.5Å; L18-L40 VanDerWaalsContact CD1-CD2 3.5Å; A23-L40 HydrophobicContact CB-CD1 3.81Å; V25-L40 HydrophobicContact CG2-CD1 3.97Å; T36-L40 HydrophobicContact CG2-CD1 4.07Å; T36-L40 HydrophobicContact CG2-CG 4.37Å; T36-L40 VanDerWaalsContact O-CG 3.23Å; T36-L40 WeakPolarHBondContact O-CG 3.4Å; T36-L40 PolarHBondContact O-N 3.39Å; L40-R43 CarbonylContact O-C 3.28Å; L40-R43 WeakPolarHBondContact O-CA 3.31Å; L40-R43 WeakPolarHBondContact O-CB 3.48Å; L40-R43 PolarHBondContact O-N 3.27Å; L40-R43 VanDerWaalsContact O-N 3.1Å; L40-G44 PolarHBondContact O-N 3.14Å; L40-A45 HydrophobicContact CB-CB 4.22Å; L40-A45 VanDerWaalsContact O-CB 3.29Å; L40-A45 WeakPolarHBondContact O-CB 3.48Å; L40-A45 PolarHBondContact O-N 3.47Å; L40-A45 VanDerWaalsContact O-N 3.12Å; L40-V47 HydrophobicContact CB-CG2 3.81Å; L40-I128 HydrophobicContact CD1-CG1 4.38Å; L40-L274 HydrophobicContact CD2-CD2 4.22Å; L40-V277 HydrophobicContact CD2-CB 4.27Å; L40-V277 HydrophobicContact CD2-CG1 3.64Å; L40-V277 HydrophobicContact CD2-CG2 4.4Å
41A98.7Very high98.1Very high0 Ų09.8 Ų9.80%05%0.05CC..Hα-helixtrans-66.7-41.4178.400000112.4A37 S38 R43 G44 V47 I92 Q96 L97A37-A41 WeakPolarHBondContact O-CB 3.36Å; A37-A41 PolarHBondContact O-N 2.81Å; S38-A41 PolarHBondContact O-N 3.25Å; A41-R43 PolarHBondContact O-N 3.15Å; A41-R43 VanDerWaalsContact O-N 3.13Å; A41-G44 PolarHBondContact O-N 2.83Å; A41-V47 HydrophobicContact CB-CG2 4.05Å; A41-I92 HydrophobicContact CB-CD1 3.96Å; A41-I92 HydrophobicContact CB-CG1 4.03Å; A41-I92 HydrophobicContact CB-CG2 4.06Å; A41-Q96 HydrophobicContact CB-CB 4.49Å; A41-Q96 PolarHBondContact O-NE2 2.94Å; A41-L97 HydrophobicContact CB-CD2 3.74Å
42R98.4Very high98.2Very high0 Ų014.8 Ų14.80%06%0.064CC..Hα-helixtrans-60.5-22.3172.3-70.4169.176.1-160.78.9112R17 S38 E39 G44 S75 I78 L89 S90 I92R17-R42 PolarHBondContact NH1-O 3.4Å; S38-R42 WeakPolarHBondContact O-CB 3.38Å; S38-R42 WeakPolarHBondContact O-CG 3.33Å; S38-R42 PolarHBondContact O-N 2.72Å; E39-R42 IonicContact OE1-CZ 2.69Å; E39-R42 IonicContact OE1-NH1 3.76Å; E39-R42 PolarHBondContact OE1-NH1 3.15Å; R42-G44 VanDerWaalsContact C-N 3.35Å; R42-S75 PolarHBondContact NH2-O 2.91Å; R42-I78 PolarHBondContact NH1-O 3.08Å; R42-I78 PolarHBondContact NH2-O 3.48Å; R42-L89 HydrophobicContact CB-CD2 3.68Å; R42-L89 CarbonylContact O-C 3.6Å; R42-L89 WeakPolarHBondContact O-CA 3.4Å; R42-S90 WeakPolarHBondContact CA-O 3.48Å; R42-S90 PolarHBondContact O-N 3.3Å; R42-S90 PolarHBondContact O-OG 3.2Å; R42-I92 HydrophobicContact CG-CD1 3.91Å; R42-I92 HydrophobicContact CG-CG1 3.67Å
43R98.4Very high98.4Very high4 Ų417.2 Ų17.22%0.0158%0.078CC..THydrogen-bonded Turntrans-87.95.4172.3-75.3174.5-176.9-2413.7114.4I14 K16 R17 L18 E39 L40 A41 S88 L89I14-R43 PolarHBondContact O-NH2 3.01Å; K16-R43 WeakPolarHBondContact O-CD 3.3Å; R17-R43 PolarHBondContact NE-O 2.91Å; R17-R43 VanDerWaalsContact NE-O 3.15Å; R17-R43 VanDerWaalsContact NH1-CA 3.26Å; R17-R43 PolarHBondContact NH1-O 3.07Å; R17-R43 PolarHBondContact NH2-O 3.42Å; L18-R43 WeakPolarHBondContact CA-O 3.29Å; L18-R43 HydrophobicContact CB-CB 4.15Å; L18-R43 HydrophobicContact CD1-CB 3.99Å; L18-R43 HydrophobicContact CG-CB 3.94Å; L18-R43 PolarHBondContact N-O 3.03Å; E39-R43 WeakPolarHBondContact O-CG 3.35Å; E39-R43 PolarHBondContact O-N 2.82Å; L40-R43 CarbonylContact O-C 3.28Å; L40-R43 WeakPolarHBondContact O-CA 3.31Å; L40-R43 WeakPolarHBondContact O-CB 3.48Å; L40-R43 PolarHBondContact O-N 3.27Å; L40-R43 VanDerWaalsContact O-N 3.1Å; A41-R43 PolarHBondContact O-N 3.15Å; A41-R43 VanDerWaalsContact O-N 3.13Å; R43-S88 PolarHBondContact NH1-OG 3.4Å; R43-L89 HydrophobicContact CG-CD2 4.26Å
44G98.3Very high98.4Very high11 Ų1120.6 Ų20.611%0.11310%0.095CC..THydrogen-bonded Turntrans94.2-4.4176.500000115.1L18 D19 L40 A41 R42L18-G44 CarbonylContact O-C 3.49Å; D19-G44 WeakPolarHBondContact OD1-CA 3.33Å; L40-G44 PolarHBondContact O-N 3.14Å; A41-G44 PolarHBondContact O-N 2.83Å; R42-G44 VanDerWaalsContact C-N 3.35Å
45A98.7Very high98.4Very high0 Ų029.1 Ų29.10%013%0.126CC..  trans-66.7149.3177.100000110.7L18 K21 L40 V47 Q96L18-A45 HydrophobicContact CB-CB 3.87Å; L18-A45 HydrophobicContact CD1-CB 4.29Å; L18-A45 WeakPolarHBondContact O-CA 3.32Å; L18-A45 PolarHBondContact O-N 3.03Å; K21-A45 WeakPolarHBondContact O-CA 3.46Å; L40-A45 HydrophobicContact CB-CB 4.22Å; L40-A45 VanDerWaalsContact O-CB 3.29Å; L40-A45 WeakPolarHBondContact O-CB 3.48Å; L40-A45 PolarHBondContact O-N 3.47Å; L40-A45 VanDerWaalsContact O-N 3.12Å; A45-V47 HydrophobicContact CB-CG2 4.22Å; A45-Q96 PolarHBondContact O-NE2 3.47Å
46R98.8Very high98.4Very high116 Ų11633.4 Ų33.444%0.43814%0.143SC..EExtended strand (participates in β ladder)trans-82.1133.7156.5-67.3173.165.8-1563.5107.7K21 L22 A23 Q96K21-R46 PolarHBondContact O-N 3.25Å; L22-R46 WeakPolarHBondContact CA-O 3.25Å; L22-R46 HydrophobicContact CD1-CB 3.68Å; A23-R46 PolarHBondContact N-O 2.83Å; R46-Q96 CarbonylContact C-O 3.53Å
47V98.9Very high98.4Very high0 Ų033.4 Ų33.40%014%0.143CC..EExtended strand (participates in β ladder)trans-126.9116.2-173.8-1730000109.8A23 V25 A37 L40 A41 A45 M49 Q96 L97 I98A23-V47 CarbonylContact O-C 3.59Å; A23-V47 WeakPolarHBondContact O-CA 3.22Å; V25-V47 HydrophobicContact CB-CG1 4.5Å; V25-V47 HydrophobicContact CG2-CG1 3.87Å; A37-V47 HydrophobicContact CB-CG1 3.83Å; L40-V47 HydrophobicContact CB-CG2 3.81Å; A41-V47 HydrophobicContact CB-CG2 4.05Å; A45-V47 HydrophobicContact CB-CG2 4.22Å; V47-M49 PolarHBondContact O-N 3.31Å; V47-Q96 PolarHBondContact N-O 3Å; V47-L97 HydrophobicContact CB-CD2 4.22Å; V47-I98 PolarHBondContact O-N 3.29Å
48I98.9Very high98.3Very high0 Ų037.7 Ų37.70%016%0.163CC..EExtended strand (participates in β ladder)trans-80.5109167.6-63.8160.7000108.1L22 A23 I24 V25 A50 I98 E100 F113 I117 Y121L22-I48 HydrophobicContact CD1-CD1 4.03Å; L22-I48 HydrophobicContact CD1-CG1 4.17Å; L22-I48 HydrophobicContact CD2-CD1 3.89Å; L22-I48 HydrophobicContact CG-CD1 4.19Å; A23-I48 PolarHBondContact O-N 3.28Å; I24-I48 HydrophobicContact CD1-CD1 4.35Å; I24-I48 HydrophobicContact CG1-CB 3.86Å; I24-I48 HydrophobicContact CG1-CD1 3.79Å; I24-I48 HydrophobicContact CG1-CG1 4.41Å; I24-I48 HydrophobicContact CG1-CG2 4.21Å; V25-I48 PolarHBondContact N-O 3.1Å; I48-A50 PolarHBondContact O-N 3.08Å; I48-A50 VanDerWaalsContact O-N 3.13Å; I48-I98 CarbonylContact C-O 3.43Å; I48-I98 VanDerWaalsContact CA-O 3.31Å; I48-I98 WeakPolarHBondContact CA-O 2.9Å; I48-I98 HydrophobicContact CG1-CB 4.32Å; I48-E100 HydrophobicContact CG2-CB 3.81Å; I48-E100 HydrophobicContact CG2-CG 3.87Å; I48-F113 HydrophobicContact CG2-CE2 4.38Å; I48-F113 HydrophobicContact CG2-CZ 4.31Å; I48-I117 HydrophobicContact CD1-CD1 3.99Å; I48-I117 HydrophobicContact CG2-CD1 4.4Å; I48-Y121 HydrophobicContact CD1-CD2 4.03Å; I48-Y121 HydrophobicContact CD1-CE1 4.41Å; I48-Y121 HydrophobicContact CD1-CE2 3.73Å
49M98.8Very high98.3Very high0 Ų040.6 Ų40.60%018%0.179CC..EExtended strand (participates in β ladder)trans-79.682173.4-62.5-178.172.500110.2S28 L34 A37 V47 C51 A60 K61 L64 L97 I98 I99 E100S28-M49 VanDerWaalsContact O-CE 3.22Å; S28-M49 WeakPolarHBondContact O-CE 3.29Å; S28-M49 WeakPolarHBondContact OG-CA 3.37Å; S28-M49 WeakPolarHBondContact OG-CB 3.4Å; L34-M49 HydrophobicContact CD1-CE 3.91Å; A37-M49 HydrophobicContact CB-CG 4.4Å; V47-M49 PolarHBondContact O-N 3.31Å; M49-C51 PolarHBondContact O-N 3.48Å; M49-A60 HydrophobicContact CE-CB 4.24Å; M49-K61 HydrophobicContact SD-CB 4.28Å; M49-L64 HydrophobicContact CE-CD1 4.33Å; M49-L97 HydrophobicContact SD-CB 4.08Å; M49-L97 HydrophobicContact SD-CD1 4.35Å; M49-L97 HydrophobicContact SD-CD2 4.16Å; M49-L97 HydrophobicContact SD-CG 4.43Å; M49-I98 PolarHBondContact N-O 2.9Å; M49-I99 HydrophobicContact CB-CG1 4.33Å; M49-E100 PolarHBondContact O-N 3.41Å
50A98.8Very high98.3Very high1 Ų140.3 Ų40.31%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-77.7109.2-177.400000111.4I24 V25 T26 G27 S28 I48 E100 L102 F113I24-A50 HydrophobicContact CG2-CB 3.99Å; V25-A50 PolarHBondContact O-N 3.43Å; T26-A50 CarbonylContact C-O 3.51Å; T26-A50 WeakPolarHBondContact CA-O 3.33Å; T26-A50 HydrophobicContact CG2-CB 4.41Å; G27-A50 PolarHBondContact N-O 3.47Å; S28-A50 PolarHBondContact OG-N 3.42Å; I48-A50 PolarHBondContact O-N 3.08Å; I48-A50 VanDerWaalsContact O-N 3.13Å; A50-E100 WeakPolarHBondContact CA-O 3.49Å; A50-L102 HydrophobicContact CB-CB 4.06Å; A50-L102 HydrophobicContact CB-CD2 3.75Å; A50-F113 HydrophobicContact CB-CE2 3.67Å; A50-F113 HydrophobicContact CB-CZ 3.71Å
51C98.3Very high98.3Very high1 Ų142 Ų421%0.00719%0.185CC..EExtended strand (participates in β ladder)trans-137.5148.1-170.5-63.30000112.6N29 M49 A57 E100 Q101 L102N29-C51 HydrophobicContact CB-CB 4.43Å; N29-C51 PolarHBondContact N-SG 3.14Å; N29-C51 VanDerWaalsContact N-SG 3.4Å; M49-C51 PolarHBondContact O-N 3.48Å; C51-A57 HydrophobicContact CB-CB 3.77Å; C51-E100 PolarHBondContact N-O 3.04Å; C51-Q101 WeakPolarHBondContact O-CA 3.1Å; C51-L102 CarbonylContact C-O 3.54Å; C51-L102 VanDerWaalsContact C-O 3.28Å; C51-L102 PolarHBondContact O-N 3.4Å
52R96.9Very high98.3Very high118 Ų11848.2 Ų48.245%0.44521%0.208SC..SBendtrans-68.4-41.9177.1-176.8175.269.4-178.35.1113.2L102 D103R52-L102 WeakPolarHBondContact CA-O 3.01Å; R52-L102 PolarHBondContact N-O 3Å; R52-L102 VanDerWaalsContact N-O 3.11Å; R52-D103 VanDerWaalsContact CD-OD1 3.32Å; R52-D103 WeakPolarHBondContact CD-OD1 3.49Å; R52-D103 VanDerWaalsContact CD-OD2 3.24Å; R52-D103 WeakPolarHBondContact CD-OD2 3.21Å; R52-D103 HydrophobicContact CG-CB 3.96Å
53N97.2Very high98.3Very high70 Ų7053.9 Ų53.937%0.37423%0.23SC..  trans-110.3108-176.1-176.4-56.5000109.8R55 K56 A57N53-R55 PolarHBondContact O-N 3.31Å; N53-R55 PolarHBondContact OD1-N 2.84Å; N53-R55 VanDerWaalsContact OD1-N 3.16Å; N53-K56 HydrophobicContact CB-CB 4.23Å; N53-K56 HydrophobicContact CB-CD 4.42Å; N53-K56 HydrophobicContact CB-CG 4.32Å; N53-K56 PolarHBondContact O-N 3.03Å; N53-K56 PolarHBondContact OD1-N 3.11Å; N53-A57 PolarHBondContact O-N 3.21Å; N53-A57 VanDerWaalsContact O-N 3.08Å
54L97.9Very high98.3Very high71 Ų7154.1 Ų54.137%0.37223%0.231SC..Hα-helixtrans-61.1-43.3-177.2-68178.2000112.5K56 A57 E58 I99 Q101L54-K56 VanDerWaalsContact C-N 3.35Å; L54-K56 PolarHBondContact O-N 2.76Å; L54-A57 CarbonylContact O-C 3.5Å; L54-A57 WeakPolarHBondContact O-CA 3.17Å; L54-A57 WeakPolarHBondContact O-CB 3.3Å; L54-A57 PolarHBondContact O-N 3.33Å; L54-E58 WeakPolarHBondContact O-CG 3.5Å; L54-E58 PolarHBondContact O-N 3.15Å; L54-I99 HydrophobicContact CD2-CG2 3.56Å; L54-Q101 HydrophobicContact CD1-CB 4.3Å; L54-Q101 HydrophobicContact CD2-CB 3.87Å; L54-Q101 HydrophobicContact CD2-CG 4.43Å; L54-Q101 HydrophobicContact CG-CB 4.16Å; L54-Q101 HydrophobicContact CG-CG 4.3Å
55R98.2Very high98.3Very high195 Ų19555.5 Ų55.574%0.73624%0.236SC*.Hα-helixtrans-58.1-46178.3-174.9177.7178.9-177.52.2112.1N53 A57 E58 D59N53-R55 PolarHBondContact O-N 3.31Å; N53-R55 PolarHBondContact OD1-N 2.84Å; N53-R55 VanDerWaalsContact OD1-N 3.16Å; R55-A57 VanDerWaalsContact C-N 3.27Å; R55-A57 PolarHBondContact O-N 2.74Å; R55-E58 PolarHBondContact O-N 2.03Å; R55-D59 PolarHBondContact O-N 3.34Å
56K97.6Very high98.3Very high110 Ų11061.5 Ų61.548%0.47826%0.264SS..Hα-helixtrans-65.7-30.8175.8-69.3-170.6-176.7-169.60112.3N53 L54 A60N53-K56 HydrophobicContact CB-CB 4.23Å; N53-K56 HydrophobicContact CB-CD 4.42Å; N53-K56 HydrophobicContact CB-CG 4.32Å; N53-K56 PolarHBondContact O-N 3.03Å; N53-K56 PolarHBondContact OD1-N 3.11Å; L54-K56 VanDerWaalsContact C-N 3.35Å; L54-K56 PolarHBondContact O-N 2.76Å; K56-A60 WeakPolarHBondContact O-CB 3.36Å; K56-A60 PolarHBondContact O-N 2.76Å; K56-A60 VanDerWaalsContact O-N 3.08Å
57A98.2Very high98.2Very high0 Ų060.2 Ų60.20%026%0.261CS..Hα-helixtrans-70.8-41.9175.200000111.5N29 C51 N53 L54 R55 A60 K61 I99N29-A57 HydrophobicContact CB-CB 4.41Å; C51-A57 HydrophobicContact CB-CB 3.77Å; N53-A57 PolarHBondContact O-N 3.21Å; N53-A57 VanDerWaalsContact O-N 3.08Å; L54-A57 CarbonylContact O-C 3.5Å; L54-A57 WeakPolarHBondContact O-CA 3.17Å; L54-A57 WeakPolarHBondContact O-CB 3.3Å; L54-A57 PolarHBondContact O-N 3.33Å; R55-A57 VanDerWaalsContact C-N 3.27Å; R55-A57 PolarHBondContact O-N 2.74Å; A57-A60 CarbonylContact O-C 3.47Å; A57-A60 WeakPolarHBondContact O-CA 3.18Å; A57-A60 WeakPolarHBondContact O-CB 3.37Å; A57-A60 PolarHBondContact O-N 3.36Å; A57-A60 VanDerWaalsContact O-N 3.1Å; A57-K61 PolarHBondContact O-N 2.9Å; A57-I99 HydrophobicContact CB-CD1 4.26Å; A57-I99 HydrophobicContact CB-CG1 4.21Å; A57-I99 HydrophobicContact CB-CG2 3.74Å
58E98.5Very high98.2Very high90 Ų9060.7 Ų60.742%0.42126%0.263SS..Hα-helixtrans-60.8-46.3173.7-69.2-62.716600111.7L54 R55 A60 K61 R62 I99L54-E58 WeakPolarHBondContact O-CG 3.5Å; L54-E58 PolarHBondContact O-N 3.15Å; R55-E58 PolarHBondContact O-N 2.03Å; E58-A60 PolarHBondContact O-N 3.27Å; E58-K61 PolarHBondContact O-N 3.36Å; E58-R62 WeakPolarHBondContact O-CB 3.43Å; E58-R62 PolarHBondContact O-N 2.87Å; E58-I99 HydrophobicContact CB-CD1 4.33Å; E58-I99 HydrophobicContact CG-CD1 3.89Å; E58-I99 VanDerWaalsContact OE1-CD1 3.22Å; E58-I99 WeakPolarHBondContact OE1-CD1 3.23Å; E58-I99 VanDerWaalsContact OE2-CD1 3.25Å; E58-I99 WeakPolarHBondContact OE2-CD1 3.42Å
59D98.4Very high98.1Very high60 Ų6060.8 Ų60.832%0.32126%0.264SS..Hα-helixtrans-61.2-32.2174.2-68.8-27.2000112.3R55 R62 R63R55-D59 PolarHBondContact O-N 3.34Å; D59-R62 IonicContact OD1-CZ 3.01Å; D59-R62 IonicContact OD1-NH2 2.67Å; D59-R62 PolarHBondContact OD1-NH2 2.89Å; D59-R63 WeakPolarHBondContact O-CG 3.29Å; D59-R63 PolarHBondContact O-N 3.33Å; D59-R63 PolarHBondContact O-NE 2.73Å; D59-R63 VanDerWaalsContact O-NE 3.15Å
60A98.3Very high98Very high0 Ų063.4 Ų63.40%029%0.286CS..Hα-helixtrans-73.4-44.4175.900000112.3N29 L34 M49 K56 A57 E58 R62 R63 L64N29-A60 HydrophobicContact CB-CB 4.18Å; N29-A60 VanDerWaalsContact O-CB 3.31Å; N29-A60 WeakPolarHBondContact O-CB 3.44Å; L34-A60 HydrophobicContact CD1-CB 3.8Å; M49-A60 HydrophobicContact CE-CB 4.24Å; K56-A60 WeakPolarHBondContact O-CB 3.36Å; K56-A60 PolarHBondContact O-N 2.76Å; K56-A60 VanDerWaalsContact O-N 3.08Å; A57-A60 CarbonylContact O-C 3.47Å; A57-A60 WeakPolarHBondContact O-CA 3.18Å; A57-A60 WeakPolarHBondContact O-CB 3.37Å; A57-A60 PolarHBondContact O-N 3.36Å; A57-A60 VanDerWaalsContact O-N 3.1Å; E58-A60 PolarHBondContact O-N 3.27Å; A60-R62 VanDerWaalsContact C-N 3.33Å; A60-R62 PolarHBondContact O-N 3.27Å; A60-R63 VanDerWaalsContact CA-NH2 3.34Å; A60-R63 PolarHBondContact O-N 3.41Å; A60-L64 WeakPolarHBondContact O-CG 3.2Å; A60-L64 PolarHBondContact O-N 3.13Å
61K98.7Very high97.8Very high35 Ų3571.2 Ų71.215%0.15233%0.328CS..Hα-helixtrans-57.4-46.4173.8175.1175.3176170.70111M49 A57 E58 R63 L64 L65 S94 L97 I99M49-K61 HydrophobicContact SD-CB 4.28Å; A57-K61 PolarHBondContact O-N 2.9Å; E58-K61 PolarHBondContact O-N 3.36Å; K61-R63 PolarHBondContact O-N 2.85Å; K61-L64 PolarHBondContact O-N 3.12Å; K61-L64 VanDerWaalsContact O-N 3.14Å; K61-L65 HydrophobicContact CG-CD1 3.99Å; K61-L65 HydrophobicContact CG-CG 4.47Å; K61-L65 WeakPolarHBondContact O-CG 3.29Å; K61-L65 PolarHBondContact O-N 3.01Å; K61-S94 VanDerWaalsContact CE-O 3.3Å; K61-S94 WeakPolarHBondContact CE-O 3.44Å; K61-S94 WeakPolarHBondContact CE-OG 3.42Å; K61-S94 PolarHBondContact NZ-O 3.07Å; K61-S94 PolarHBondContact NZ-OG 3.28Å; K61-L97 HydrophobicContact CD-CB 4.04Å; K61-L97 VanDerWaalsContact CE-O 3.29Å; K61-L97 WeakPolarHBondContact CE-O 3.37Å; K61-L97 HydrophobicContact CG-CB 4.06Å; K61-L97 HydrophobicContact CG-CD1 4.1Å; K61-L97 PolarHBondContact NZ-O 2.82Å; K61-I99 HydrophobicContact CB-CD1 3.89Å; K61-I99 HydrophobicContact CD-CD1 3.78Å; K61-I99 HydrophobicContact CD-CG1 4.37Å; K61-I99 HydrophobicContact CG-CD1 4.47Å
62R98.4Very high97.7Very high131 Ų13173.9 Ų73.949%0.49434%0.342SS..Hα-helixtrans-55.8-49.9177.4-154.8-161.9-33.7-81.5-4.3111.9E58 D59 A60 L64 L65 E66E58-R62 WeakPolarHBondContact O-CB 3.43Å; E58-R62 PolarHBondContact O-N 2.87Å; D59-R62 IonicContact OD1-CZ 3.01Å; D59-R62 IonicContact OD1-NH2 2.67Å; D59-R62 PolarHBondContact OD1-NH2 2.89Å; A60-R62 VanDerWaalsContact C-N 3.33Å; A60-R62 PolarHBondContact O-N 3.27Å; R62-L64 VanDerWaalsContact C-N 3.31Å; R62-L64 PolarHBondContact O-N 3.44Å; R62-L65 PolarHBondContact O-N 3.04Å; R62-L65 VanDerWaalsContact O-N 3.13Å; R62-E66 WeakPolarHBondContact O-CG 3.43Å; R62-E66 PolarHBondContact O-N 3.23Å
63R98Very high97.6Very high118 Ų11872 Ų7245%0.44535%0.345SS..Hα-helixtrans-60.7-36.7176.8-72.8179.5-65133.3-3.6113.1N29 D59 A60 K61 K67N29-R63 PolarHBondContact O-NH2 3.1Å; D59-R63 WeakPolarHBondContact O-CG 3.29Å; D59-R63 PolarHBondContact O-N 3.33Å; D59-R63 PolarHBondContact O-NE 2.73Å; D59-R63 VanDerWaalsContact O-NE 3.15Å; A60-R63 VanDerWaalsContact CA-NH2 3.34Å; A60-R63 PolarHBondContact O-N 3.41Å; K61-R63 PolarHBondContact O-N 2.85Å; R63-K67 WeakPolarHBondContact O-CB 3.38Å; R63-K67 PolarHBondContact O-N 3.37Å
64L98.3Very high97.5Very high9 Ų974.6 Ų74.65%0.04736%0.355CS..Hα-helixtrans-67-40.6175-70.4-170.4000112L34 M49 A60 K61 R62 K67 Y68 L97L34-L64 HydrophobicContact CD1-CD1 3.63Å; L34-L64 HydrophobicContact CD1-CD2 3.85Å; L34-L64 HydrophobicContact CD1-CG 3.67Å; L34-L64 HydrophobicContact CG-CD2 3.99Å; L34-L64 HydrophobicContact CG-CG 4.37Å; M49-L64 HydrophobicContact CE-CD1 4.33Å; A60-L64 WeakPolarHBondContact O-CG 3.2Å; A60-L64 PolarHBondContact O-N 3.13Å; K61-L64 PolarHBondContact O-N 3.12Å; K61-L64 VanDerWaalsContact O-N 3.14Å; R62-L64 VanDerWaalsContact C-N 3.31Å; R62-L64 PolarHBondContact O-N 3.44Å; L64-K67 PolarHBondContact O-N 2.9Å; L64-Y68 HydrophobicContact CD2-CD2 4.07Å; L64-Y68 HydrophobicContact CD2-CE2 4.04Å; L64-Y68 WeakPolarHBondContact O-CA 3.39Å; L64-Y68 WeakPolarHBondContact O-CB 3.23Å; L64-Y68 PolarHBondContact O-N 3.03Å; L64-L97 HydrophobicContact CB-CD1 3.93Å; L64-L97 HydrophobicContact CD1-CD1 3.84Å
65L98.4Very high97.4Very high40 Ų4071.2 Ų71.221%0.20934%0.337CS..Hα-helixtrans-71.9-34.4179.1-65.6173.1000112.3K61 R62 G69 I92 L97K61-L65 HydrophobicContact CG-CD1 3.99Å; K61-L65 HydrophobicContact CG-CG 4.47Å; K61-L65 WeakPolarHBondContact O-CG 3.29Å; K61-L65 PolarHBondContact O-N 3.01Å; R62-L65 PolarHBondContact O-N 3.04Å; R62-L65 VanDerWaalsContact O-N 3.13Å; L65-G69 WeakPolarHBondContact O-CA 3.47Å; L65-G69 PolarHBondContact O-N 3.42Å; L65-I92 HydrophobicContact CD2-CB 4.33Å; L65-I92 HydrophobicContact CD2-CG2 3.85Å; L65-L97 HydrophobicContact CD2-CD1 4.34Å; L65-L97 HydrophobicContact CG-CD1 4.47Å
66E97.8Very high97.3Very high127 Ų12763.1 Ų63.159%0.59331%0.309SS*.Hα-helixtrans-63.8-44.3170.9-72.8164.1-169.200111.3R62R62-E66 WeakPolarHBondContact O-CG 3.43Å; R62-E66 PolarHBondContact O-N 3.23Å
67K98.1Very high97.3Very high89 Ų8961.9 Ų61.939%0.38731%0.308SS..Hα-helixtrans-80-43.4-175.2-173.1173.1177.9-167.10113.6R63 L64 N72 S75 I78 D79R63-K67 WeakPolarHBondContact O-CB 3.38Å; R63-K67 PolarHBondContact O-N 3.37Å; L64-K67 PolarHBondContact O-N 2.9Å; K67-N72 PolarHBondContact O-ND2 2.7Å; K67-S75 WeakPolarHBondContact O-CB 3.37Å; K67-I78 HydrophobicContact CD-CD1 4.5Å; K67-I78 HydrophobicContact CG-CD1 3.97Å; K67-D79 WeakPolarHBondContact CE-OD2 3.42Å; K67-D79 IonicContact NZ-OD1 2.63Å; K67-D79 IonicContact NZ-OD2 3.44Å; K67-D79 PolarHBondContact NZ-OD2 3.36Å
68Y98.4Very high97.1Very high9 Ų964.9 Ų64.94%0.03532%0.323CS..Hα-helixtrans-122.31.5-171.1-53.1-73.1000114.3L64 S75 I78 D79 P91 I92L64-Y68 HydrophobicContact CD2-CD2 4.07Å; L64-Y68 HydrophobicContact CD2-CE2 4.04Å; L64-Y68 WeakPolarHBondContact O-CA 3.39Å; L64-Y68 WeakPolarHBondContact O-CB 3.23Å; L64-Y68 PolarHBondContact O-N 3.03Å; Y68-S75 WeakPolarHBondContact CA-OG 3.44Å; Y68-S75 PolarHBondContact O-OG 3.36Å; Y68-I78 HydrophobicContact CD1-CD1 4.12Å; Y68-I78 HydrophobicContact CD1-CG1 4.25Å; Y68-I78 HydrophobicContact CE1-CD1 3.79Å; Y68-I78 HydrophobicContact CE1-CG1 3.87Å; Y68-D79 HydrophobicContact CE1-CB 4.42Å; Y68-D79 WeakPolarHBondContact CE1-OD2 3.36Å; Y68-D79 PolarHBondContact OH-OD2 3.29Å; Y68-P91 CarbonylContact O-C 3.58Å; Y68-P91 VanDerWaalsContact O-CA 3.26Å; Y68-P91 WeakPolarHBondContact O-CA 3.34Å; Y68-I92 HydrophobicContact CD2-CD1 4.45Å; Y68-I92 HydrophobicContact CG-CD1 4.47Å; Y68-I92 PolarHBondContact O-N 2.87Å
69G97.6Very high97Very high2 Ų263 Ų632%0.02132%0.316CS..BIsolated β-bridgetrans-79.9175.3-173.600000113.8L65 N71 N72 I92L65-G69 WeakPolarHBondContact O-CA 3.47Å; L65-G69 PolarHBondContact O-N 3.42Å; G69-N71 PolarHBondContact O-N 3.21Å; G69-N72 CarbonylContact O-C 3.45Å; G69-N72 PolarHBondContact O-N 3.49Å; G69-I92 WeakPolarHBondContact CA-O 3.45Å
70A95.3Very high96.9Very high56 Ų5661.9 Ų61.946%0.46331%0.311SS..THydrogen-bonded Turntrans-52.6-28.1-178.200000115.1N72 I92A70-N72 PolarHBondContact O-N 3.4Å; A70-I92 PolarHBondContact N-O 3.02Å
71N95.3Very high96.7Very high165 Ų16562.9 Ų62.988%0.88232%0.32SS*.THydrogen-bonded Turntrans-73.6-8.8176.6-65.9-16.8000113.6G69G69-N71 PolarHBondContact O-N 3.21Å
72N96.6Very high96.5Very high57 Ų5762 Ų6231%0.30532%0.318SS..  trans-127.671.1175.6-174.512.6000110.5K67 G69 A70 Q74 S75K67-N72 PolarHBondContact O-ND2 2.7Å; G69-N72 CarbonylContact O-C 3.45Å; G69-N72 PolarHBondContact O-N 3.49Å; A70-N72 PolarHBondContact O-N 3.4Å; N72-Q74 PolarHBondContact O-N 2.89Å; N72-Q74 VanDerWaalsContact O-N 3.1Å; N72-S75 WeakPolarHBondContact O-CB 3.22Å; N72-S75 PolarHBondContact O-N 2.87Å; N72-S75 PolarHBondContact O-OG 3.42Å
73P94Very high96.3Very high77 Ų7763.3 Ų63.350%0.533%0.329SS..G310 helixtrans-60.9-25.3-175.124.1-34.3000113.8S75 P91P73-S75 PolarHBondContact O-N 3.39Å; P73-P91 HydrophobicContact CB-CG 4.44Å
74Q95.5Very high96.1Very high126 Ų12662.4 Ų62.459%0.58933%0.33SS*.G310 helixtrans-70.2-9.3175.6-63.3-57.9-29.600113.2N72 V76 N77N72-Q74 PolarHBondContact O-N 2.89Å; N72-Q74 VanDerWaalsContact O-N 3.1Å; Q74-V76 PolarHBondContact O-N 2.73Å; Q74-N77 WeakPolarHBondContact O-CB 3.07Å; Q74-N77 PolarHBondContact O-N 3.34Å; Q74-N77 PolarHBondContact OE1-ND2 2.78Å
75S95.9Very high96Very high0 Ų062.1 Ų62.10%033%0.329CS..G310 helixtrans-62.4-13.6178.473.10000113.8R42 K67 Y68 N72 P73 N77 I78R42-S75 PolarHBondContact NH2-O 2.91Å; K67-S75 WeakPolarHBondContact O-CB 3.37Å; Y68-S75 WeakPolarHBondContact CA-OG 3.44Å; Y68-S75 PolarHBondContact O-OG 3.36Å; N72-S75 WeakPolarHBondContact O-CB 3.22Å; N72-S75 PolarHBondContact O-N 2.87Å; N72-S75 PolarHBondContact O-OG 3.42Å; P73-S75 PolarHBondContact O-N 3.39Å; S75-N77 PolarHBondContact O-N 3.16Å; S75-I78 VanDerWaalsContact O-CG1 3.32Å; S75-I78 WeakPolarHBondContact O-CG1 3.4Å; S75-I78 PolarHBondContact O-N 3Å
76V96.5Very high95.9Very high25 Ų2562.7 Ų62.715%0.15233%0.331CS..G310 helixtrans-64.2-21.5172.3-60.60000112.6Q74 V80 I86 L89 P91Q74-V76 PolarHBondContact O-N 2.73Å; V76-V80 VanDerWaalsContact O-CG2 3.25Å; V76-V80 WeakPolarHBondContact O-CG2 3.44Å; V76-I86 HydrophobicContact CG2-CG2 4.5Å; V76-L89 HydrophobicContact CB-CB 4.29Å; V76-L89 HydrophobicContact CG1-CB 4.36Å; V76-P91 HydrophobicContact CG1-CG 4.3Å
77N96.5Very high95.8Very high83 Ų8361.5 Ų61.544%0.44434%0.337SS..G310 helixtrans-94.8-5-177.2-61.9-42.7000114.1Q74 S75Q74-N77 WeakPolarHBondContact O-CB 3.07Å; Q74-N77 PolarHBondContact O-N 3.34Å; Q74-N77 PolarHBondContact OE1-ND2 2.78Å; S75-N77 PolarHBondContact O-N 3.16Å
78I95.5Very high95.8Very high63 Ų6357.5 Ų57.532%0.32332%0.32SS..SBendtrans-103.2154.1178.867.4172.6000111.7R42 K67 Y68 S75 V80R42-I78 PolarHBondContact NH1-O 3.08Å; R42-I78 PolarHBondContact NH2-O 3.48Å; K67-I78 HydrophobicContact CD-CD1 4.5Å; K67-I78 HydrophobicContact CG-CD1 3.97Å; Y68-I78 HydrophobicContact CD1-CD1 4.12Å; Y68-I78 HydrophobicContact CD1-CG1 4.25Å; Y68-I78 HydrophobicContact CE1-CD1 3.79Å; Y68-I78 HydrophobicContact CE1-CG1 3.87Å; S75-I78 VanDerWaalsContact O-CG1 3.32Å; S75-I78 WeakPolarHBondContact O-CG1 3.4Å; S75-I78 PolarHBondContact O-N 3Å; I78-V80 WeakPolarHBondContact O-CG2 3.23Å; I78-V80 PolarHBondContact O-N 2.84Å
79D95.5Very high95.8Very high52 Ų5257.8 Ų57.828%0.27832%0.323SS..SBendtrans53.443.8179.3-61.3-56.2000112.3K67 Y68 W267K67-D79 WeakPolarHBondContact CE-OD2 3.42Å; K67-D79 IonicContact NZ-OD1 2.63Å; K67-D79 IonicContact NZ-OD2 3.44Å; K67-D79 PolarHBondContact NZ-OD2 3.36Å; Y68-D79 HydrophobicContact CE1-CB 4.42Å; Y68-D79 WeakPolarHBondContact CE1-OD2 3.36Å; Y68-D79 PolarHBondContact OH-OD2 3.29Å; D79-W267 HydrophobicContact CB-CG 4.48Å; D79-W267 WeakPolarHBondContact O-CZ2 3.33Å; D79-W267 PolarHBondContact O-NE1 3.41Å
80V96Very high95.8Very high36 Ų3659.3 Ų59.322%0.21833%0.333CS..  trans-106.8132.3-177.7-176.80000109.2V76 I78 C82 V85 I86 L89V76-V80 VanDerWaalsContact O-CG2 3.25Å; V76-V80 WeakPolarHBondContact O-CG2 3.44Å; I78-V80 WeakPolarHBondContact O-CG2 3.23Å; I78-V80 PolarHBondContact O-N 2.84Å; V80-C82 WeakPolarHBondContact CG1-O 3.42Å; V80-V85 HydrophobicContact CG1-CB 4.09Å; V80-V85 HydrophobicContact CG1-CG1 4.27Å; V80-I86 HydrophobicContact CG1-CG1 3.81Å; V80-I86 HydrophobicContact CG2-CG1 4.25Å; V80-L89 HydrophobicContact CG2-CD1 3.94Å
81A93.8Very high96Very high21 Ų2158.3 Ų58.317%0.17432%0.321CS..SBendtrans-72.2-38.2179.100000113.1A11 C12 W267A11-A81 HydrophobicContact CB-CB 3.59Å; C12-A81 WeakPolarHBondContact O-CB 3.25Å; A81-W267 HydrophobicContact CB-CH2 4.11Å; A81-W267 HydrophobicContact CB-CZ2 4.22Å
82C94.5Very high96.1Very high17 Ų1750.5 Ų50.512%0.11528%0.28CS..SBendtrans-162.8155.4-179.151.40000110C13 V80 Q84 V85C13-C82 WeakPolarHBondContact CA-SG 3.41Å; C13-C82 HydrophobicContact CB-CB 4.4Å; C13-C82 WeakPolarHBondContact CB-SG 3.32Å; C13-C82 WeakPolarHBondContact SG-CB 3.43Å; C13-C82 CovalentContact SG-SG 2.03Å; C13-C82 PolarHBondContact SG-SG 3.21Å; V80-C82 WeakPolarHBondContact CG1-O 3.42Å; C82-Q84 VanDerWaalsContact CB-OE1 3.31Å; C82-Q84 PolarHBondContact O-N 3.03Å; C82-Q84 VanDerWaalsContact O-N 3.11Å; C82-Q84 PolarHBondContact SG-OE1 3.04Å; C82-Q84 VanDerWaalsContact SG-OE1 3.34Å; C82-V85 WeakPolarHBondContact O-CB 3.19Å; C82-V85 PolarHBondContact O-N 2.63Å
83E94.7Very high96.2Very high157 Ų15751.7 Ų51.773%0.73429%0.286SS*.G310 helixtrans-54.1-35.7-172.1-171.7177.4-175.800113.8V85 I86E83-V85 PolarHBondContact O-N 3.39Å; E83-V85 VanDerWaalsContact O-N 3.14Å; E83-I86 HydrophobicContact CG-CD1 4.25Å; E83-I86 VanDerWaalsContact O-CB 3.32Å; E83-I86 WeakPolarHBondContact O-CB 3.48Å; E83-I86 VanDerWaalsContact O-CG1 3.29Å; E83-I86 WeakPolarHBondContact O-CG1 3.49Å; E83-I86 PolarHBondContact O-N 2.78Å
84Q92.9Very high96.3Very high99 Ų9950.9 Ų50.946%0.46328%0.283SS..G310 helixtrans-64.7-23.6-177.5-53.581.813.500112.8S15 C82 I86 S87S15-Q84 WeakPolarHBondContact CB-O 2.85Å; S15-Q84 PolarHBondContact OG-O 3.49Å; C82-Q84 VanDerWaalsContact CB-OE1 3.31Å; C82-Q84 PolarHBondContact O-N 3.03Å; C82-Q84 VanDerWaalsContact O-N 3.11Å; C82-Q84 PolarHBondContact SG-OE1 3.04Å; C82-Q84 VanDerWaalsContact SG-OE1 3.34Å; Q84-I86 VanDerWaalsContact C-N 3.28Å; Q84-I86 PolarHBondContact O-N 3.37Å; Q84-S87 PolarHBondContact O-OG 2.83Å; Q84-S87 VanDerWaalsContact O-OG 3.08Å
85V96.6Very high96.4Very high3 Ų350.3 Ų50.32%0.01828%0.283CS..G310 helixtrans-70.2-26.8177.5165.70000111.6V80 C82 E83 S87 S88 L89V80-V85 HydrophobicContact CG1-CB 4.09Å; V80-V85 HydrophobicContact CG1-CG1 4.27Å; C82-V85 WeakPolarHBondContact O-CB 3.19Å; C82-V85 PolarHBondContact O-N 2.63Å; E83-V85 PolarHBondContact O-N 3.39Å; E83-V85 VanDerWaalsContact O-N 3.14Å; V85-S87 PolarHBondContact O-N 2.93Å; V85-S88 PolarHBondContact O-N 2.8Å; V85-S88 PolarHBondContact O-OG 3.19Å; V85-L89 HydrophobicContact CG1-CD1 3.74Å; V85-L89 HydrophobicContact CG1-CD2 4.49Å; V85-L89 HydrophobicContact CG1-CG 4.01Å
86I97.2Very high96.6Very high52 Ų5251 Ų5127%0.26729%0.286SS..G310 helixtrans-55.6-40.2-174.7-61174.9000111.2V76 V80 E83 Q84 S88 L89V76-I86 HydrophobicContact CG2-CG2 4.5Å; V80-I86 HydrophobicContact CG1-CG1 3.81Å; V80-I86 HydrophobicContact CG2-CG1 4.25Å; E83-I86 HydrophobicContact CG-CD1 4.25Å; E83-I86 VanDerWaalsContact O-CB 3.32Å; E83-I86 WeakPolarHBondContact O-CB 3.48Å; E83-I86 VanDerWaalsContact O-CG1 3.29Å; E83-I86 WeakPolarHBondContact O-CG1 3.49Å; E83-I86 PolarHBondContact O-N 2.78Å; Q84-I86 VanDerWaalsContact C-N 3.28Å; Q84-I86 PolarHBondContact O-N 3.37Å; I86-S88 PolarHBondContact O-N 3.25Å; I86-S88 VanDerWaalsContact O-N 3.11Å; I86-L89 PolarHBondContact O-N 3.13Å
87S96.1Very high96.7Very high103 Ų10349.8 Ų49.872%0.7228%0.279SS*.G310 helixtrans-64.4-16.2179.562.10000114.7S15 Q84 V85S15-S87 PolarHBondContact OG-OG 3.04Å; Q84-S87 PolarHBondContact O-OG 2.83Å; Q84-S87 VanDerWaalsContact O-OG 3.08Å; V85-S87 PolarHBondContact O-N 2.93Å
88S97.3Very high96.8Very high4 Ų447.3 Ų47.33%0.02827%0.266CS..G310 helixtrans-99.83.2176.162.80000113.3S15 R17 R43 V85 I86S15-S88 VanDerWaalsContact OG-CB 3.3Å; S15-S88 WeakPolarHBondContact OG-CB 3.49Å; S15-S88 PolarHBondContact OG-OG 3.04Å; R17-S88 WeakPolarHBondContact CD-O 3.43Å; R17-S88 PolarHBondContact NH1-O 2.83Å; R43-S88 PolarHBondContact NH1-OG 3.4Å; V85-S88 PolarHBondContact O-N 2.8Å; V85-S88 PolarHBondContact O-OG 3.19Å; I86-S88 PolarHBondContact O-N 3.25Å; I86-S88 VanDerWaalsContact O-N 3.11Å
89L98.2Very high96.9Very high16 Ų1645.6 Ų45.68%0.08426%0.257CS..  trans-107.7138.7-178.4-63.9172.5000111R42 R43 V76 V80 V85 I86R42-L89 HydrophobicContact CB-CD2 3.68Å; R42-L89 CarbonylContact O-C 3.6Å; R42-L89 WeakPolarHBondContact O-CA 3.4Å; R43-L89 HydrophobicContact CG-CD2 4.26Å; V76-L89 HydrophobicContact CB-CB 4.29Å; V76-L89 HydrophobicContact CG1-CB 4.36Å; V80-L89 HydrophobicContact CG2-CD1 3.94Å; V85-L89 HydrophobicContact CG1-CD1 3.74Å; V85-L89 HydrophobicContact CG1-CD2 4.49Å; V85-L89 HydrophobicContact CG1-CG 4.01Å; I86-L89 PolarHBondContact O-N 3.13Å
90S98.1Very high97.1Very high34 Ų3444.7 Ų44.724%0.23825%0.251CS..  trans-132.6155.517258.30000109.1R17 R42R17-S90 PolarHBondContact NH1-OG 2.95Å; R17-S90 PolarHBondContact NH2-OG 3.44Å; R42-S90 WeakPolarHBondContact CA-O 3.48Å; R42-S90 PolarHBondContact O-N 3.3Å; R42-S90 PolarHBondContact O-OG 3.2Å
91P98.3Very high97.2Very high34 Ų3447.7 Ų47.722%0.22126%0.263CS..PPolyproline II helixtrans-55.7147.9167-23.835.8000111.2Y68 P73 V76Y68-P91 CarbonylContact O-C 3.58Å; Y68-P91 VanDerWaalsContact O-CA 3.26Å; Y68-P91 WeakPolarHBondContact O-CA 3.34Å; P73-P91 HydrophobicContact CB-CG 4.44Å; V76-P91 HydrophobicContact CG1-CG 4.3Å
92I98.4Very high97.4Very high1 Ų147 Ų471%0.00526%0.256CS..BIsolated β-bridgetrans-80.6130.1-179.5-58.5177.9000109.7A41 R42 L65 Y68 G69 A70 Q96 L97A41-I92 HydrophobicContact CB-CD1 3.96Å; A41-I92 HydrophobicContact CB-CG1 4.03Å; A41-I92 HydrophobicContact CB-CG2 4.06Å; R42-I92 HydrophobicContact CG-CD1 3.91Å; R42-I92 HydrophobicContact CG-CG1 3.67Å; L65-I92 HydrophobicContact CD2-CB 4.33Å; L65-I92 HydrophobicContact CD2-CG2 3.85Å; Y68-I92 HydrophobicContact CD2-CD1 4.45Å; Y68-I92 HydrophobicContact CG-CD1 4.47Å; Y68-I92 PolarHBondContact O-N 2.87Å; G69-I92 WeakPolarHBondContact CA-O 3.45Å; A70-I92 PolarHBondContact N-O 3.02Å; I92-Q96 HydrophobicContact CG2-CB 4.47Å; I92-L97 HydrophobicContact CG2-CD1 3.95Å; I92-L97 HydrophobicContact CG2-CG 3.9Å
93N98Very high97.6Very high82 Ų8248.4 Ų48.444%0.43926%0.262SS..PPolyproline II helixtrans-89.5145.8166.1-62.1-48.4000110.8D95 Q96N93-D95 WeakPolarHBondContact CB-OD1 3.35Å; N93-D95 PolarHBondContact O-N 2.86Å; N93-Q96 HydrophobicContact CB-CG 4.29Å; N93-Q96 WeakPolarHBondContact O-CB 3.49Å; N93-Q96 PolarHBondContact O-N 3.28Å
94S97.8Very high97.8Very high61 Ų6141.4 Ų41.443%0.42723%0.23SC..G310 helixtrans-61.5-30.4-173.6-174.60000113.8K61 Q96 L97K61-S94 VanDerWaalsContact CE-O 3.3Å; K61-S94 WeakPolarHBondContact CE-O 3.44Å; K61-S94 WeakPolarHBondContact CE-OG 3.42Å; K61-S94 PolarHBondContact NZ-O 3.07Å; K61-S94 PolarHBondContact NZ-OG 3.28Å; S94-Q96 VanDerWaalsContact C-N 3.28Å; S94-Q96 PolarHBondContact O-N 3.07Å; S94-L97 PolarHBondContact O-N 2.76Å
95D97.6Very high98.1Very high113 Ų11337.1 Ų37.160%0.60421%0.212SC*.G310 helixtrans-72.2-18.9177.566.1-37.3000113.3N93 L97N93-D95 WeakPolarHBondContact CB-OD1 3.35Å; N93-D95 PolarHBondContact O-N 2.86Å; D95-L97 VanDerWaalsContact C-N 3.32Å
96Q98.6Very high98.2Very high14 Ų1438.1 Ų38.17%0.06522%0.219CC..G310 helixtrans-71.7-26.5171.9-63.2-178.2-94.400112.3A41 A45 R46 V47 I92 N93 S94A41-Q96 HydrophobicContact CB-CB 4.49Å; A41-Q96 PolarHBondContact O-NE2 2.94Å; A45-Q96 PolarHBondContact O-NE2 3.47Å; R46-Q96 CarbonylContact C-O 3.53Å; V47-Q96 PolarHBondContact N-O 3Å; I92-Q96 HydrophobicContact CG2-CB 4.47Å; N93-Q96 HydrophobicContact CB-CG 4.29Å; N93-Q96 WeakPolarHBondContact O-CB 3.49Å; N93-Q96 PolarHBondContact O-N 3.28Å; S94-Q96 VanDerWaalsContact C-N 3.28Å; S94-Q96 PolarHBondContact O-N 3.07Å
97L98.7Very high98.3Very high0 Ų036.6 Ų36.60%021%0.211CC..EExtended strand (participates in β ladder)trans-102.4103.6-178.6-62.4-178.1000110.3A41 V47 M49 K61 L64 L65 I92 S94 D95A41-L97 HydrophobicContact CB-CD2 3.74Å; V47-L97 HydrophobicContact CB-CD2 4.22Å; M49-L97 HydrophobicContact SD-CB 4.08Å; M49-L97 HydrophobicContact SD-CD1 4.35Å; M49-L97 HydrophobicContact SD-CD2 4.16Å; M49-L97 HydrophobicContact SD-CG 4.43Å; K61-L97 HydrophobicContact CD-CB 4.04Å; K61-L97 VanDerWaalsContact CE-O 3.29Å; K61-L97 WeakPolarHBondContact CE-O 3.37Å; K61-L97 HydrophobicContact CG-CB 4.06Å; K61-L97 HydrophobicContact CG-CD1 4.1Å; K61-L97 PolarHBondContact NZ-O 2.82Å; L64-L97 HydrophobicContact CB-CD1 3.93Å; L64-L97 HydrophobicContact CD1-CD1 3.84Å; L65-L97 HydrophobicContact CD2-CD1 4.34Å; L65-L97 HydrophobicContact CG-CD1 4.47Å; I92-L97 HydrophobicContact CG2-CD1 3.95Å; I92-L97 HydrophobicContact CG2-CG 3.9Å; S94-L97 PolarHBondContact O-N 2.76Å; D95-L97 VanDerWaalsContact C-N 3.32Å
98I98.7Very high98.4Very high31 Ų3136.7 Ų36.716%0.15920%0.2CC..EExtended strand (participates in β ladder)trans-106.6126.1-176-57.5161.7000108.5V47 I48 M49 Y121V47-I98 PolarHBondContact O-N 3.29Å; I48-I98 CarbonylContact C-O 3.43Å; I48-I98 VanDerWaalsContact CA-O 3.31Å; I48-I98 WeakPolarHBondContact CA-O 2.9Å; I48-I98 HydrophobicContact CG1-CB 4.32Å; M49-I98 PolarHBondContact N-O 2.9Å; I98-Y121 HydrophobicContact CD1-CE1 4.19Å
99I98.7Very high98.5Very high27 Ų2737.4 Ų37.414%0.13821%0.205CC..EExtended strand (participates in β ladder)trans-95.3131.5-179.5-68.5161.8000109.5M49 L54 A57 E58 K61M49-I99 HydrophobicContact CB-CG1 4.33Å; L54-I99 HydrophobicContact CD2-CG2 3.56Å; A57-I99 HydrophobicContact CB-CD1 4.26Å; A57-I99 HydrophobicContact CB-CG1 4.21Å; A57-I99 HydrophobicContact CB-CG2 3.74Å; E58-I99 HydrophobicContact CB-CD1 4.33Å; E58-I99 HydrophobicContact CG-CD1 3.89Å; E58-I99 VanDerWaalsContact OE1-CD1 3.22Å; E58-I99 WeakPolarHBondContact OE1-CD1 3.23Å; E58-I99 VanDerWaalsContact OE2-CD1 3.25Å; E58-I99 WeakPolarHBondContact OE2-CD1 3.42Å; K61-I99 HydrophobicContact CB-CD1 3.89Å; K61-I99 HydrophobicContact CD-CD1 3.78Å; K61-I99 HydrophobicContact CD-CG1 4.37Å; K61-I99 HydrophobicContact CG-CD1 4.47Å
100E98.7Very high98.5Very high33 Ų3336.6 Ų36.615%0.15420%0.201CC..EExtended strand (participates in β ladder)trans-134.8141175.6-83.5-76.2168.200110.7I48 M49 A50 C51 F113 R116 I117I48-E100 HydrophobicContact CG2-CB 3.81Å; I48-E100 HydrophobicContact CG2-CG 3.87Å; M49-E100 PolarHBondContact O-N 3.41Å; A50-E100 WeakPolarHBondContact CA-O 3.49Å; C51-E100 PolarHBondContact N-O 3.04Å; E100-F113 HydrophobicContact CB-CD2 4.05Å; E100-F113 HydrophobicContact CB-CE2 3.55Å; E100-F113 HydrophobicContact CG-CE2 4.34Å; E100-R116 IonicContact OE2-CZ 3.43Å; E100-R116 IonicContact OE2-NE 3.76Å; E100-R116 PolarHBondContact OE2-NE 3.43Å; E100-R116 IonicContact OE2-NH2 3.56Å; E100-R116 PolarHBondContact OE2-NH2 2.95Å; E100-I117 HydrophobicContact CG-CD1 3.97Å
101Q98.6Very high98.5Very high100 Ų10039.4 Ų39.447%0.46721%0.206SC..EExtended strand (participates in β ladder)trans-79.6124.1179.4-165.6175.220.400111.1C51 L54 F113 R116C51-Q101 WeakPolarHBondContact O-CA 3.1Å; L54-Q101 HydrophobicContact CD1-CB 4.3Å; L54-Q101 HydrophobicContact CD2-CB 3.87Å; L54-Q101 HydrophobicContact CD2-CG 4.43Å; L54-Q101 HydrophobicContact CG-CB 4.16Å; L54-Q101 HydrophobicContact CG-CG 4.3Å; Q101-F113 WeakPolarHBondContact O-CD2 3.21Å; Q101-R116 PolarHBondContact O-NH2 3.34Å
102L98.8Very high98.5Very high7 Ų741.7 Ų41.74%0.03721%0.214CC..  trans-143.6116.4175.5174.664.8000110.1T26 A50 C51 R52 L104 I110 F113 L159T26-L102 HydrophobicContact CG2-CD2 3.74Å; A50-L102 HydrophobicContact CB-CB 4.06Å; A50-L102 HydrophobicContact CB-CD2 3.75Å; C51-L102 CarbonylContact C-O 3.54Å; C51-L102 VanDerWaalsContact C-O 3.28Å; C51-L102 PolarHBondContact O-N 3.4Å; R52-L102 WeakPolarHBondContact CA-O 3.01Å; R52-L102 PolarHBondContact N-O 3Å; R52-L102 VanDerWaalsContact N-O 3.11Å; L102-L104 HydrophobicContact CD1-CD2 4.21Å; L102-L104 HydrophobicContact CD2-CD2 4.08Å; L102-L104 HydrophobicContact CD2-CG 4.44Å; L102-L104 HydrophobicContact CG-CD2 4.21Å; L102-L104 HydrophobicContact CG-CG 4.43Å; L102-I110 HydrophobicContact CD1-CB 4.46Å; L102-I110 HydrophobicContact CD1-CG1 4.01Å; L102-F113 HydrophobicContact CB-CD2 3.78Å; L102-F113 HydrophobicContact CB-CE2 4.09Å; L102-F113 HydrophobicContact CB-CG 4.16Å; L102-F113 HydrophobicContact CD1-CB 3.85Å; L102-F113 HydrophobicContact CD1-CD1 4.07Å; L102-F113 HydrophobicContact CD1-CD2 4.34Å; L102-F113 HydrophobicContact CD1-CG 3.83Å; L102-F113 HydrophobicContact CD2-CD1 4.5Å; L102-F113 HydrophobicContact CD2-CE1 4.44Å; L102-F113 HydrophobicContact CD2-CZ 4.46Å; L102-F113 HydrophobicContact CG-CD2 4.47Å; L102-F113 HydrophobicContact CG-CG 4.42Å; L102-L159 HydrophobicContact CD1-CD1 4.43Å; L102-L159 HydrophobicContact CD2-CD1 4.5Å; L102-L159 HydrophobicContact CD2-CD2 3.84Å
103D98.6Very high98.6Very high45 Ų4541.6 Ų41.624%0.24121%0.213CC..  trans-106.3108.6167.5-165-7.8000110.9R52 A105 S106 S109R52-D103 VanDerWaalsContact CD-OD1 3.32Å; R52-D103 WeakPolarHBondContact CD-OD1 3.49Å; R52-D103 VanDerWaalsContact CD-OD2 3.24Å; R52-D103 WeakPolarHBondContact CD-OD2 3.21Å; R52-D103 HydrophobicContact CG-CB 3.96Å; D103-A105 PolarHBondContact O-N 3.4Å; D103-A105 WeakPolarHBondContact OD1-CB 3.48Å; D103-A105 PolarHBondContact OD1-N 3.33Å; D103-S106 PolarHBondContact O-N 3.15Å; D103-S106 VanDerWaalsContact O-N 3.16Å; D103-S109 PolarHBondContact N-OG 3.48Å
104L98.7Very high98.6Very high11 Ų1137.8 Ų37.86%0.05819%0.193CC..THydrogen-bonded Turntrans-69.8-9.9177-67.8178.8000113.4L102 S106 I110 A131 V151 L159L102-L104 HydrophobicContact CD1-CD2 4.21Å; L102-L104 HydrophobicContact CD2-CD2 4.08Å; L102-L104 HydrophobicContact CD2-CG 4.44Å; L102-L104 HydrophobicContact CG-CD2 4.21Å; L102-L104 HydrophobicContact CG-CG 4.43Å; L104-S106 VanDerWaalsContact C-N 3.27Å; L104-I110 HydrophobicContact CD2-CD1 4.17Å; L104-I110 HydrophobicContact CD2-CG1 4.14Å; L104-A131 HydrophobicContact CD1-CB 3.55Å; L104-V151 HydrophobicContact CB-CG1 4.06Å; L104-V151 HydrophobicContact CD1-CG1 4.45Å; L104-L159 HydrophobicContact CD2-CB 4.48Å; L104-L159 HydrophobicContact CD2-CD2 4.25Å
105A98.5Very high98.6Very high9 Ų942.1 Ų42.17%0.07420%0.2CC..THydrogen-bonded Turntrans-87.911.7172.200000113D103 T141 A142 M147 V151D103-A105 PolarHBondContact O-N 3.4Å; D103-A105 WeakPolarHBondContact OD1-CB 3.48Å; D103-A105 PolarHBondContact OD1-N 3.33Å; A105-T141 HydrophobicContact CB-CG2 4.12Å; A105-T141 VanDerWaalsContact O-CB 3.29Å; A105-T141 WeakPolarHBondContact O-CB 3.35Å; A105-A142 PolarHBondContact O-N 2.87Å; A105-M147 HydrophobicContact CB-SD 3.93Å; A105-V151 HydrophobicContact CB-CG2 3.73Å
106S98.7Very high98.7Very high24 Ų2439.9 Ų39.917%0.16818%0.183CC..  trans-141.6114.8176.51730000110.9D103 L104 Q108 S109 I110 D143D103-S106 PolarHBondContact O-N 3.15Å; D103-S106 VanDerWaalsContact O-N 3.16Å; L104-S106 VanDerWaalsContact C-N 3.27Å; S106-Q108 PolarHBondContact O-N 3.41Å; S106-S109 WeakPolarHBondContact O-CB 3.42Å; S106-S109 PolarHBondContact O-N 2.94Å; S106-S109 VanDerWaalsContact O-N 3.14Å; S106-S109 PolarHBondContact OG-N 2.86Å; S106-I110 WeakPolarHBondContact O-CG1 3.25Å; S106-I110 PolarHBondContact O-N 3.42Å; S106-I110 VanDerWaalsContact O-N 3.1Å; S106-D143 WeakPolarHBondContact CA-OD2 3.23Å
107L98.7Very high98.7Very high20 Ų2039.2 Ų39.211%0.10518%0.18CC..Hα-helixtrans-60.7-35.2176.7-58.6-171.1000111.6I110 R111 D143 F145 L158 L317L107-I110 HydrophobicContact CD2-CD1 4.29Å; L107-I110 PolarHBondContact O-N 3.2Å; L107-R111 WeakPolarHBondContact O-CG 3.35Å; L107-R111 PolarHBondContact O-N 3.13Å; L107-D143 WeakPolarHBondContact CB-OD1 3.2Å; L107-D143 HydrophobicContact CD1-CB 4.18Å; L107-D143 HydrophobicContact CG-CB 3.99Å; L107-D143 VanDerWaalsContact CG-CG 3.41Å; L107-D143 WeakPolarHBondContact CG-OD2 3.32Å; L107-D143 PolarHBondContact N-OD2 3.49Å; L107-F145 HydrophobicContact CD1-CE2 3.98Å; L107-F145 HydrophobicContact CD2-CE2 4.28Å; L107-F145 HydrophobicContact CG-CE2 4.29Å; L107-L158 HydrophobicContact CB-CD2 3.83Å; L107-L158 HydrophobicContact CD1-CD2 4.49Å; L107-L158 HydrophobicContact CD2-CD2 3.61Å; L107-L158 HydrophobicContact CG-CD2 4.14Å; L107-L317 HydrophobicContact CD1-CD2 4.02Å; L107-L317 HydrophobicContact CD2-CD2 3.68Å
108Q98.5Very high98.7Very high105 Ų10541.9 Ų41.949%0.49119%0.194SC..Hα-helixtrans-61.2-47.6174.2-177.561.820.200111.6S106 I110 R111 E112S106-Q108 PolarHBondContact O-N 3.41Å; Q108-I110 VanDerWaalsContact C-N 3.27Å; Q108-I110 PolarHBondContact O-N 2.99Å; Q108-R111 PolarHBondContact O-N 2.84Å; Q108-E112 PolarHBondContact NE2-OE1 3.32Å; Q108-E112 WeakPolarHBondContact O-CG 3.31Å; Q108-E112 PolarHBondContact O-N 2.91Å
109S98.8Very high98.6Very high18 Ų1845.6 Ų45.613%0.12622%0.218CC..Hα-helixtrans-58.8-40.4177.2-175.90000111.9D103 S106 E112 F113D103-S109 PolarHBondContact N-OG 3.48Å; S106-S109 WeakPolarHBondContact O-CB 3.42Å; S106-S109 PolarHBondContact O-N 2.94Å; S106-S109 VanDerWaalsContact O-N 3.14Å; S106-S109 PolarHBondContact OG-N 2.86Å; S109-E112 PolarHBondContact O-N 2.74Å; S109-F113 VanDerWaalsContact O-CB 3.3Å; S109-F113 WeakPolarHBondContact O-CB 3.24Å; S109-F113 PolarHBondContact O-N 3.05Å
110I98.8Very high98.6Very high0 Ų048.3 Ų48.30%024%0.236CC..Hα-helixtrans-64.3-44.7177.9-62.3163.8000111L102 L104 S106 L107 Q108 F113 A114 L158 L159 L162L102-I110 HydrophobicContact CD1-CB 4.46Å; L102-I110 HydrophobicContact CD1-CG1 4.01Å; L104-I110 HydrophobicContact CD2-CD1 4.17Å; L104-I110 HydrophobicContact CD2-CG1 4.14Å; S106-I110 WeakPolarHBondContact O-CG1 3.25Å; S106-I110 PolarHBondContact O-N 3.42Å; S106-I110 VanDerWaalsContact O-N 3.1Å; L107-I110 HydrophobicContact CD2-CD1 4.29Å; L107-I110 PolarHBondContact O-N 3.2Å; Q108-I110 VanDerWaalsContact C-N 3.27Å; Q108-I110 PolarHBondContact O-N 2.99Å; I110-F113 PolarHBondContact O-N 3.11Å; I110-A114 WeakPolarHBondContact O-CB 3.5Å; I110-A114 PolarHBondContact O-N 2.99Å; I110-L158 HydrophobicContact CB-CD2 4.17Å; I110-L158 HydrophobicContact CD1-CD2 4.33Å; I110-L158 HydrophobicContact CG2-CB 4.32Å; I110-L158 HydrophobicContact CG2-CD2 4.05Å; I110-L158 HydrophobicContact CG2-CG 3.94Å; I110-L159 HydrophobicContact CG2-CB 3.82Å; I110-L159 HydrophobicContact CG2-CD1 4.14Å; I110-L162 HydrophobicContact CG2-CD1 4.05Å
111R98.6Very high98.6Very high93 Ų9347.6 Ų47.635%0.35123%0.232SC..Hα-helixtrans-63-44.4177.8-71.2176.1-167.6-73.50.6111.9L107 Q108 A114 R115 L158 L162L107-R111 WeakPolarHBondContact O-CG 3.35Å; L107-R111 PolarHBondContact O-N 3.13Å; Q108-R111 PolarHBondContact O-N 2.84Å; R111-A114 PolarHBondContact O-N 2.92Å; R111-R115 WeakPolarHBondContact O-CB 3.44Å; R111-R115 PolarHBondContact O-N 2.96Å; R111-L158 HydrophobicContact CG-CD2 4.43Å; R111-L162 HydrophobicContact CB-CD1 4.4Å; R111-L162 HydrophobicContact CG-CD1 3.79Å
112E98.7Very high98.5Very high81 Ų8147.3 Ų47.338%0.37924%0.239SC..Hα-helixtrans-65-43.4177.6-71.6174.4178.500112.2Q108 S109 R115 R116Q108-E112 PolarHBondContact NE2-OE1 3.32Å; Q108-E112 WeakPolarHBondContact O-CG 3.31Å; Q108-E112 PolarHBondContact O-N 2.91Å; S109-E112 PolarHBondContact O-N 2.74Å; E112-R115 PolarHBondContact O-N 3.32Å; E112-R116 WeakPolarHBondContact O-CG 3.42Å; E112-R116 PolarHBondContact O-N 3Å; E112-R116 PolarHBondContact O-NH1 3.37Å
113F98.8Very high98.5Very high0 Ų050.8 Ų50.80%026%0.255CS..Hα-helixtrans-58.2-54.4173.8173.6-88.2000110.7I24 I48 A50 E100 Q101 L102 S109 I110 R115 R116 I117 L159 L163I24-F113 HydrophobicContact CD1-CE1 4.22Å; I24-F113 HydrophobicContact CD1-CZ 4.21Å; I24-F113 HydrophobicContact CG2-CZ 4.1Å; I48-F113 HydrophobicContact CG2-CE2 4.38Å; I48-F113 HydrophobicContact CG2-CZ 4.31Å; A50-F113 HydrophobicContact CB-CE2 3.67Å; A50-F113 HydrophobicContact CB-CZ 3.71Å; E100-F113 HydrophobicContact CB-CD2 4.05Å; E100-F113 HydrophobicContact CB-CE2 3.55Å; E100-F113 HydrophobicContact CG-CE2 4.34Å; Q101-F113 WeakPolarHBondContact O-CD2 3.21Å; L102-F113 HydrophobicContact CB-CD2 3.78Å; L102-F113 HydrophobicContact CB-CE2 4.09Å; L102-F113 HydrophobicContact CB-CG 4.16Å; L102-F113 HydrophobicContact CD1-CB 3.85Å; L102-F113 HydrophobicContact CD1-CD1 4.07Å; L102-F113 HydrophobicContact CD1-CD2 4.34Å; L102-F113 HydrophobicContact CD1-CG 3.83Å; L102-F113 HydrophobicContact CD2-CD1 4.5Å; L102-F113 HydrophobicContact CD2-CE1 4.44Å; L102-F113 HydrophobicContact CD2-CZ 4.46Å; L102-F113 HydrophobicContact CG-CD2 4.47Å; L102-F113 HydrophobicContact CG-CG 4.42Å; S109-F113 VanDerWaalsContact O-CB 3.3Å; S109-F113 WeakPolarHBondContact O-CB 3.24Å; S109-F113 PolarHBondContact O-N 3.05Å; I110-F113 PolarHBondContact O-N 3.11Å; F113-R115 VanDerWaalsContact C-N 3.29Å; F113-R115 PolarHBondContact O-N 3.04Å; F113-R116 PolarHBondContact O-N 2.97Å; F113-R116 VanDerWaalsContact O-N 3.1Å; F113-I117 HydrophobicContact CD1-CG1 4.01Å; F113-I117 HydrophobicContact CD2-CG1 4.4Å; F113-I117 HydrophobicContact CE1-CD1 4.47Å; F113-I117 HydrophobicContact CE1-CG1 3.59Å; F113-I117 HydrophobicContact CE2-CD1 4.12Å; F113-I117 HydrophobicContact CE2-CG1 4.07Å; F113-I117 HydrophobicContact CG-CG1 4.39Å; F113-I117 HydrophobicContact CZ-CD1 4.03Å; F113-I117 HydrophobicContact CZ-CG1 3.63Å; F113-I117 WeakPolarHBondContact O-CG1 3.02Å; F113-I117 PolarHBondContact O-N 3.43Å; F113-L159 HydrophobicContact CD1-CD1 3.59Å; F113-L159 HydrophobicContact CE1-CD1 3.74Å; F113-L163 HydrophobicContact CE1-CD1 4.42Å
114A98.7Very high98.5Very high2 Ų248.7 Ų48.72%0.01724%0.243CC..Hα-helixtrans-58.2-42.9-178.400000111.6I110 R111 R116 I117 I118 L162 L163I110-A114 WeakPolarHBondContact O-CB 3.5Å; I110-A114 PolarHBondContact O-N 2.99Å; R111-A114 PolarHBondContact O-N 2.92Å; A114-R116 PolarHBondContact O-N 3.18Å; A114-I117 PolarHBondContact O-N 3Å; A114-I118 WeakPolarHBondContact O-CB 3.39Å; A114-I118 WeakPolarHBondContact O-CD1 3.39Å; A114-I118 WeakPolarHBondContact O-CG1 3.38Å; A114-I118 PolarHBondContact O-N 2.75Å; A114-L162 HydrophobicContact CB-CB 3.63Å; A114-L162 HydrophobicContact CB-CD1 4.03Å; A114-L162 HydrophobicContact CB-CG 4.48Å; A114-L163 HydrophobicContact CB-CD2 4.12Å; A114-L163 HydrophobicContact CB-CG 4.46Å
115R98.5Very high98.5Very high151 Ų15148.5 Ų48.557%0.5724%0.242SC*.Hα-helixtrans-58.6-47.7175.4-170.3-165.664.771.9-2111.9R111 E112 F113 I118 V119R111-R115 WeakPolarHBondContact O-CB 3.44Å; R111-R115 PolarHBondContact O-N 2.96Å; E112-R115 PolarHBondContact O-N 3.32Å; F113-R115 VanDerWaalsContact C-N 3.29Å; F113-R115 PolarHBondContact O-N 3.04Å; R115-I118 PolarHBondContact O-N 3.29Å; R115-V119 WeakPolarHBondContact O-CB 3.3Å; R115-V119 VanDerWaalsContact O-CG2 3.3Å; R115-V119 WeakPolarHBondContact O-CG2 3.42Å; R115-V119 PolarHBondContact O-N 3.5Å; R115-V119 VanDerWaalsContact O-N 3.13Å
116R98.6Very high98.5Very high67 Ų6748.8 Ų48.825%0.25324%0.242SC..Hα-helixtrans-59.2-49.2177.2-72.5-168.3-54.1-84.3-0.1110.9E100 Q101 E112 F113 A114 I118 V119 T120E100-R116 IonicContact OE2-CZ 3.43Å; E100-R116 IonicContact OE2-NE 3.76Å; E100-R116 PolarHBondContact OE2-NE 3.43Å; E100-R116 IonicContact OE2-NH2 3.56Å; E100-R116 PolarHBondContact OE2-NH2 2.95Å; Q101-R116 PolarHBondContact O-NH2 3.34Å; E112-R116 WeakPolarHBondContact O-CG 3.42Å; E112-R116 PolarHBondContact O-N 3Å; E112-R116 PolarHBondContact O-NH1 3.37Å; F113-R116 PolarHBondContact O-N 2.97Å; F113-R116 VanDerWaalsContact O-N 3.1Å; A114-R116 PolarHBondContact O-N 3.18Å; R116-I118 PolarHBondContact O-N 3.31Å; R116-V119 PolarHBondContact O-N 2.93Å; R116-T120 VanDerWaalsContact O-CB 3.3Å; R116-T120 WeakPolarHBondContact O-CB 3.48Å; R116-T120 PolarHBondContact O-N 2.83Å; R116-T120 PolarHBondContact O-OG1 2.95Å
117I98.7Very high98.5Very high0 Ų047.7 Ų47.70%023%0.234CC..Hα-helixtrans-60.5-46.9-179.3-61.5-43.5000111.7I24 I48 E100 F113 A114 V119 T120 Y121 L163 L166I24-I117 HydrophobicContact CD1-CG1 4.37Å; I24-I117 HydrophobicContact CD1-CG2 3.91Å; I48-I117 HydrophobicContact CD1-CD1 3.99Å; I48-I117 HydrophobicContact CG2-CD1 4.4Å; E100-I117 HydrophobicContact CG-CD1 3.97Å; F113-I117 HydrophobicContact CD1-CG1 4.01Å; F113-I117 HydrophobicContact CD2-CG1 4.4Å; F113-I117 HydrophobicContact CE1-CD1 4.47Å; F113-I117 HydrophobicContact CE1-CG1 3.59Å; F113-I117 HydrophobicContact CE2-CD1 4.12Å; F113-I117 HydrophobicContact CE2-CG1 4.07Å; F113-I117 HydrophobicContact CG-CG1 4.39Å; F113-I117 HydrophobicContact CZ-CD1 4.03Å; F113-I117 HydrophobicContact CZ-CG1 3.63Å; F113-I117 WeakPolarHBondContact O-CG1 3.02Å; F113-I117 PolarHBondContact O-N 3.43Å; A114-I117 PolarHBondContact O-N 3Å; I117-V119 VanDerWaalsContact C-N 3.29Å; I117-V119 PolarHBondContact O-N 3.46Å; I117-T120 PolarHBondContact O-N 3.42Å; I117-Y121 HydrophobicContact CB-CD2 4.48Å; I117-Y121 HydrophobicContact CD1-CD2 4.21Å; I117-Y121 HydrophobicContact CD1-CE2 3.88Å; I117-Y121 HydrophobicContact CG2-CD2 4.02Å; I117-Y121 WeakPolarHBondContact O-CD2 3.4Å; I117-Y121 PolarHBondContact O-N 3.29Å; I117-L163 HydrophobicContact CB-CD2 4.2Å; I117-L163 HydrophobicContact CG2-CD2 4.07Å; I117-L166 HydrophobicContact CG2-CD2 3.63Å
118I98.3Very high98.5Very high55 Ų5546.7 Ų46.728%0.28223%0.229SC..Hα-helixtrans-63.6-36.7-177.1-69.6163.5000112A114 R115 R116 L162 L163 L166 R169A114-I118 WeakPolarHBondContact O-CB 3.39Å; A114-I118 WeakPolarHBondContact O-CD1 3.39Å; A114-I118 WeakPolarHBondContact O-CG1 3.38Å; A114-I118 PolarHBondContact O-N 2.75Å; R115-I118 PolarHBondContact O-N 3.29Å; R116-I118 PolarHBondContact O-N 3.31Å; I118-L162 VanDerWaalsContact CD1-O 3.3Å; I118-L162 WeakPolarHBondContact CD1-O 3.22Å; I118-L163 HydrophobicContact CG1-CD2 4.23Å; I118-L166 HydrophobicContact CG1-CB 4.18Å; I118-L166 HydrophobicContact CG1-CD2 4.27Å; I118-R169 PolarHBondContact O-NH2 2.9Å
119V98Very high98.5Very high109 Ų10941.8 Ų41.866%0.66121%0.206SC*.Hα-helixtrans-75-39.4178170.40000111.5R115 R116 I117R115-V119 WeakPolarHBondContact O-CB 3.3Å; R115-V119 VanDerWaalsContact O-CG2 3.3Å; R115-V119 WeakPolarHBondContact O-CG2 3.42Å; R115-V119 PolarHBondContact O-N 3.5Å; R115-V119 VanDerWaalsContact O-N 3.13Å; R116-V119 PolarHBondContact O-N 2.93Å; I117-V119 VanDerWaalsContact C-N 3.29Å; I117-V119 PolarHBondContact O-N 3.46Å
120T98.2Very high98.5Very high85 Ų8541.9 Ų41.952%0.52121%0.205SC..Hα-helixtrans-82.5-32.5-172.8-61.20000113.5R116 I117R116-T120 VanDerWaalsContact O-CB 3.3Å; R116-T120 WeakPolarHBondContact O-CB 3.48Å; R116-T120 PolarHBondContact O-N 2.83Å; R116-T120 PolarHBondContact O-OG1 2.95Å; I117-T120 PolarHBondContact O-N 3.42Å
121Y98.2Very high98.4Very high18 Ų1842.6 Ų42.67%0.07121%0.211CC..  trans-116.6133-170.8-59.1-83.3000112.9L22 I48 I98 I117 E123 R169L22-Y121 HydrophobicContact CD1-CD1 4.41Å; L22-Y121 HydrophobicContact CD1-CE1 4.46Å; L22-Y121 HydrophobicContact CD2-CD1 3.59Å; L22-Y121 HydrophobicContact CD2-CD2 4.39Å; L22-Y121 HydrophobicContact CD2-CE1 4.32Å; L22-Y121 HydrophobicContact CD2-CG 3.64Å; I48-Y121 HydrophobicContact CD1-CD2 4.03Å; I48-Y121 HydrophobicContact CD1-CE1 4.41Å; I48-Y121 HydrophobicContact CD1-CE2 3.73Å; I98-Y121 HydrophobicContact CD1-CE1 4.19Å; I117-Y121 HydrophobicContact CB-CD2 4.48Å; I117-Y121 HydrophobicContact CD1-CD2 4.21Å; I117-Y121 HydrophobicContact CD1-CE2 3.88Å; I117-Y121 HydrophobicContact CG2-CD2 4.02Å; I117-Y121 WeakPolarHBondContact O-CD2 3.4Å; I117-Y121 PolarHBondContact O-N 3.29Å; Y121-E123 VanDerWaalsContact C-N 3.34Å; Y121-R169 PolarHBondContact O-NH2 3.42Å
122P97.4Very high98.1Very high94 Ų9439.6 Ų39.661%0.6121%0.209SC*.SBendtrans-72.9-29.3177.929.3-33.9000112.2R169P122-R169 PolarHBondContact O-NE 3.13Å
123E98Very high97.8Very high80 Ų8036.8 Ų36.837%0.37420%0.197SC..  trans-144.2150.3-17166.3-165.7157.400113L22 Y121 H125 L166 S170L22-E123 WeakPolarHBondContact CD2-O 3.48Å; Y121-E123 VanDerWaalsContact C-N 3.34Å; E123-H125 IonicContact OE2-CE1 3.79Å; E123-H125 PolarHBondContact OE2-CE1 3.46Å; E123-H125 IonicContact OE2-NE2 2.67Å; E123-L166 VanDerWaalsContact C-CD1 3.5Å; E123-S170 WeakPolarHBondContact CA-OG 3.11Å
124L98.8Very high97.4Very high0 Ų037 Ų370%020%0.198CC..  trans-143.8106.1177.1177.360.1000108.7L22 I24 L163 L166 I167 S170L22-L124 HydrophobicContact CD2-CD1 4.45Å; L22-L124 HydrophobicContact CG-CD1 4.4Å; I24-L124 HydrophobicContact CB-CD1 4.26Å; I24-L124 HydrophobicContact CD1-CD1 3.71Å; I24-L124 HydrophobicContact CD1-CD2 3.59Å; I24-L124 HydrophobicContact CD1-CG 4.31Å; I24-L124 HydrophobicContact CG1-CD1 3.67Å; I24-L124 HydrophobicContact CG1-CD2 4.44Å; L124-L163 HydrophobicContact CD2-CB 4.38Å; L124-L163 HydrophobicContact CD2-CD1 4.08Å; L124-L166 HydrophobicContact CB-CD1 3.9Å; L124-L166 HydrophobicContact CB-CD2 3.82Å; L124-L166 HydrophobicContact CB-CG 3.58Å; L124-L166 HydrophobicContact CD2-CD2 4.16Å; L124-L166 HydrophobicContact CD2-CG 4.36Å; L124-I167 HydrophobicContact CD2-CD1 4.26Å; L124-I167 HydrophobicContact CD2-CG1 3.79Å; L124-I167 HydrophobicContact CG-CG1 4.21Å; L124-S170 PolarHBondContact N-OG 3.29Å; L124-S170 WeakPolarHBondContact O-CB 3.4Å
125H98.8Very high97Very high8 Ų837.3 Ų37.34%0.03720%0.2CC..  trans-89.7-31.7-173.5-6495.6000112.6K21 L22 E123 S173 R174K21-H125 HydrophobicContact CB-CB 4.3Å; K21-H125 HydrophobicContact CD-CB 4.16Å; K21-H125 VanDerWaalsContact CD-CD2 3.42Å; K21-H125 WeakPolarHBondContact CD-CD2 3.17Å; K21-H125 VanDerWaalsContact CD-CE1 3.5Å; K21-H125 WeakPolarHBondContact CD-CE1 3.02Å; K21-H125 VanDerWaalsContact CD-NE2 3.32Å; K21-H125 WeakPolarHBondContact CD-NE2 3.18Å; K21-H125 PolarHBondContact NZ-CD2 2.9Å; K21-H125 PolarHBondContact NZ-NE2 2.89Å; L22-H125 PolarHBondContact N-ND1 2.98Å; L22-H125 PolarHBondContact O-N 3.32Å; E123-H125 IonicContact OE2-CE1 3.79Å; E123-H125 PolarHBondContact OE2-CE1 3.46Å; E123-H125 IonicContact OE2-NE2 2.67Å; H125-S173 CarbonylContact O-C 3.59Å; H125-S173 VanDerWaalsContact O-CA 3.22Å; H125-S173 WeakPolarHBondContact O-CA 3.32Å; H125-S173 WeakPolarHBondContact O-CB 3.43Å; H125-R174 PolarHBondContact O-N 3.22Å
126F98.9Very high96.5Very high15 Ų1531.4 Ų31.47%0.06618%0.181CC..EExtended strand (participates in β ladder)trans-134.1118.1-176.7-51.4-67.3000111.1L18 K21 L22 A23 I24 I128 R174 V277L18-F126 HydrophobicContact CD1-CE2 4.35Å; L18-F126 HydrophobicContact CD2-CE2 3.89Å; L18-F126 HydrophobicContact CD2-CZ 3.91Å; K21-F126 HydrophobicContact CB-CD2 4.42Å; K21-F126 HydrophobicContact CB-CE2 3.81Å; K21-F126 HydrophobicContact CG-CE2 4.16Å; L22-F126 PolarHBondContact O-N 3.29Å; A23-F126 CarbonylContact C-O 3.55Å; A23-F126 VanDerWaalsContact CA-O 3.24Å; A23-F126 WeakPolarHBondContact CA-O 3.39Å; A23-F126 HydrophobicContact CB-CB 3.87Å; A23-F126 HydrophobicContact CB-CD2 4.21Å; I24-F126 PolarHBondContact N-O 3.29Å; F126-I128 HydrophobicContact CB-CD1 4.21Å; F126-R174 WeakPolarHBondContact CA-O 3.23Å; F126-R174 HydrophobicContact CD1-CB 4Å; F126-R174 HydrophobicContact CD1-CG 4.07Å; F126-R174 HydrophobicContact CE1-CB 4.47Å; F126-R174 HydrophobicContact CE1-CG 4.03Å; F126-V277 HydrophobicContact CD1-CG1 3.87Å; F126-V277 HydrophobicContact CD2-CG1 4.3Å; F126-V277 HydrophobicContact CE1-CG1 3.78Å; F126-V277 HydrophobicContact CE2-CG1 4.21Å; F126-V277 HydrophobicContact CG-CG1 4.14Å; F126-V277 HydrophobicContact CZ-CG1 3.95Å
127L98.9Very high96.2Very high0 Ų033.9 Ų33.90%019%0.194CC..EExtended strand (participates in β ladder)trans-104107.2166.217760.6000109I24 L159 T160 L163 I167 R174 I175 V176I24-L127 HydrophobicContact CB-CD1 3.98Å; I24-L127 HydrophobicContact CG2-CD1 3.94Å; L127-L159 HydrophobicContact CD1-CD2 4.38Å; L127-T160 HydrophobicContact CD2-CG2 4.26Å; L127-L163 HydrophobicContact CD1-CD1 4.02Å; L127-L163 HydrophobicContact CD2-CD1 4.23Å; L127-I167 HydrophobicContact CB-CD1 4.08Å; L127-I167 HydrophobicContact CD2-CD1 3.9Å; L127-R174 PolarHBondContact N-O 3.24Å; L127-I175 HydrophobicContact CB-CG1 4.45Å; L127-I175 HydrophobicContact CD2-CG2 4.45Å; L127-I175 WeakPolarHBondContact O-CA 3.18Å; L127-V176 PolarHBondContact O-N 3.22Å
128I98.9Very high96.1Very high0 Ų036.9 Ų36.90%021%0.206CC..EExtended strand (participates in β ladder)trans-100.195.5177.1-43.9-56.9000108.8I24 V25 T26 T36 L40 F126 N130 V176 L178 T273 V277I24-I128 PolarHBondContact O-N 2.87Å; V25-I128 HydrophobicContact CB-CB 4.45Å; V25-I128 HydrophobicContact CG1-CB 4.31Å; V25-I128 HydrophobicContact CG1-CG2 4.41Å; V25-I128 HydrophobicContact CG2-CB 4.12Å; V25-I128 HydrophobicContact CG2-CG1 4.06Å; T26-I128 PolarHBondContact N-O 2.87Å; T26-I128 PolarHBondContact OG1-O 3.32Å; T36-I128 HydrophobicContact CG2-CG2 4.31Å; L40-I128 HydrophobicContact CD1-CG1 4.38Å; F126-I128 HydrophobicContact CB-CD1 4.21Å; I128-N130 HydrophobicContact CG2-CB 4.04Å; I128-N130 PolarHBondContact O-N 3.33Å; I128-V176 HydrophobicContact CD1-CB 3.78Å; I128-V176 HydrophobicContact CD1-CG2 3.68Å; I128-L178 HydrophobicContact CG2-CD2 4.11Å; I128-T273 HydrophobicContact CG2-CG2 3.73Å; I128-V277 HydrophobicContact CD1-CG2 3.58Å
129N98.9Very high96Very high1 Ų138.8 Ų38.81%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-75.871.2173.3-73.6-48.2000110.1T156 T160 V176 I177 L178N129-T156 HydrophobicContact CB-CG2 3.65Å; N129-T160 PolarHBondContact ND2-OG1 3.48Å; N129-V176 WeakPolarHBondContact CB-O 3.37Å; N129-V176 PolarHBondContact N-O 2.81Å; N129-I177 HydrophobicContact CB-CG1 4.44Å; N129-I177 HydrophobicContact CB-CG2 4.46Å; N129-L178 WeakPolarHBondContact O-CB 3.3Å; N129-L178 PolarHBondContact O-N 2.92Å
130N98.4Very high96Very high21 Ų2139.3 Ų39.311%0.11221%0.207CC..  trans-89.5-32.6-176.8161.891.7000113.6V25 T26 G33 I128 G132 L178V25-N130 HydrophobicContact CG1-CB 4.29Å; T26-N130 WeakPolarHBondContact O-CB 3.39Å; T26-N130 PolarHBondContact O-ND2 3.29Å; T26-N130 PolarHBondContact OG1-N 2.87Å; G33-N130 WeakPolarHBondContact CA-ND2 3.37Å; G33-N130 PolarHBondContact N-ND2 3.49Å; G33-N130 PolarHBondContact N-OD1 2.67Å; I128-N130 HydrophobicContact CG2-CB 4.04Å; I128-N130 PolarHBondContact O-N 3.33Å; N130-G132 PolarHBondContact O-N 2.79Å; N130-L178 HydrophobicContact CB-CD2 3.98Å; N130-L178 HydrophobicContact CB-CG 4.22Å
131A95.5Very high96Very high15 Ų1535.8 Ų35.812%0.12419%0.186CC..  trans-55.1138.6-177.300000111.5T26 L104T26-A131 PolarHBondContact O-N 3.34Å; T26-A131 VanDerWaalsContact O-N 3.13Å; T26-A131 WeakPolarHBondContact OG1-CB 3.05Å; T26-A131 PolarHBondContact OG1-N 3.31Å; L104-A131 HydrophobicContact CD1-CB 3.55Å
132G92.6Very high96Very high30 Ų3038.9 Ų38.931%0.30921%0.214SC..  trans-175.7162.6172.300000111.1N130 N152N130-G132 PolarHBondContact O-N 2.79Å; G132-N152 WeakPolarHBondContact CA-OD1 3.39Å
133L92.7Very high96.1Very high22 Ų2237.7 Ų37.712%0.11520%0.203CC..  trans-147172.2-178.557.371.2000111.2V135 M147 V151 N152L133-V135 HydrophobicContact CD1-CG1 4.13Å; L133-M147 HydrophobicContact CD1-CG 4.38Å; L133-V151 HydrophobicContact CD2-CB 4.22Å; L133-V151 HydrophobicContact CD2-CG1 4.06Å; L133-V151 HydrophobicContact CD2-CG2 4.06Å; L133-V151 HydrophobicContact CG-CB 4.13Å; L133-V151 HydrophobicContact CG-CG1 3.95Å; L133-V151 HydrophobicContact CG-CG2 4.5Å; L133-N152 PolarHBondContact N-OD1 2.9Å; L133-N152 PolarHBondContact O-ND2 2.69Å; L133-N152 PolarHBondContact O-OD1 2.88Å
134A90.6Very high96.1Very high4 Ų435.6 Ų35.63%0.03320%0.203CC..  trans-133124.7161.400000106.5E202 Y206A134-E202 HydrophobicContact CB-CG 4.36Å; A134-Y206 HydrophobicContact CB-CD2 3.74Å; A134-Y206 HydrophobicContact CB-CE2 4.27Å; A134-Y206 HydrophobicContact CB-CG 4.39Å
135V89.5Confident96Very high9 Ų936.6 Ų36.66%0.05521%0.207CC..  trans-97.5148.7171.8-76.70000109.7L133 M147 T148 Y200 E202L133-V135 HydrophobicContact CD1-CG1 4.13Å; V135-M147 HydrophobicContact CG1-CG 3.89Å; V135-M147 HydrophobicContact CG2-CB 3.81Å; V135-M147 HydrophobicContact CG2-CG 4.03Å; V135-T148 WeakPolarHBondContact CG2-OG1 3.49Å; V135-T148 PolarHBondContact N-OG1 2.99Å; V135-Y200 WeakPolarHBondContact CG2-OH 3.44Å; V135-Y200 PolarHBondContact O-OH 3.35Å; V135-E202 VanDerWaalsContact O-CG 3.25Å; V135-E202 WeakPolarHBondContact O-CG 3.45Å
136S88.1Confident96Very high26 Ų2636.2 Ų36.218%0.18221%0.206CC..SBendtrans-90.8-17.3-179.357.50000114.3E202 D246S136-E202 WeakPolarHBondContact CA-OE2 3.21Å; S136-E202 WeakPolarHBondContact CB-OE2 3.34Å; S136-D246 WeakPolarHBondContact CB-O 3.29Å; S136-D246 PolarHBondContact OG-O 3.32Å
137K92.5Very high96Very high120 Ų12036.7 Ų36.752%0.52221%0.208SC..SBendtrans-118.5149.4177.4-66.9-171.3176.5-1690109.2E139 Y200K137-E139 PolarHBondContact O-N 2.89Å; K137-E139 VanDerWaalsContact O-N 3.1Å; K137-Y200 VanDerWaalsContact C-CE1 3.47Å; K137-Y200 PolarHBondContact O-OH 2.88Å
138Y96.3Very high95.9Very high62 Ų6236.7 Ų36.724%0.24321%0.208CC..  trans-61.7115.1170.2-175.3-84.7000109K140 E146 P197 Y200Y138-K140 HydrophobicContact CE1-CD 4.39Å; Y138-K140 HydrophobicContact CE1-CG 3.91Å; Y138-K140 WeakPolarHBondContact OH-CE 3.34Å; Y138-E146 HydrophobicContact CD2-CG 4.16Å; Y138-E146 HydrophobicContact CE2-CB 4.22Å; Y138-E146 HydrophobicContact CE2-CG 3.92Å; Y138-P197 HydrophobicContact CD1-CB 4.04Å; Y138-P197 HydrophobicContact CD1-CG 4.12Å; Y138-P197 HydrophobicContact CD2-CB 4.28Å; Y138-P197 HydrophobicContact CD2-CG 4.49Å; Y138-P197 HydrophobicContact CE1-CB 4.11Å; Y138-P197 HydrophobicContact CE1-CG 3.67Å; Y138-P197 HydrophobicContact CE2-CB 4.34Å; Y138-P197 HydrophobicContact CE2-CG 4.08Å; Y138-P197 HydrophobicContact CG-CB 4.13Å; Y138-Y200 AromaticContact CD2-CD2 3.58Å; Y138-Y200 HydrophobicContact CD2-CD2 3.58Å; Y138-Y200 HydrophobicContact CD2-CE2 4.28Å; Y138-Y200 HydrophobicContact CD2-CG 4.02Å; Y138-Y200 HydrophobicContact CG-CD2 4.24Å; Y138-Y200 HydrophobicContact CG-CG 4.4Å
139E97.2Very high95.9Very high96 Ų9637 Ų3745%0.44921%0.21SC..  trans-133.5161.6176.1-70.2179-171.700108.4K137 M147K137-E139 PolarHBondContact O-N 2.89Å; K137-E139 VanDerWaalsContact O-N 3.1Å; E139-M147 HydrophobicContact CB-CB 4.04Å; E139-M147 HydrophobicContact CB-CE 4.36Å; E139-M147 WeakPolarHBondContact O-CB 3.17Å; E139-M147 PolarHBondContact O-N 2.74Å
140K98.2Very high95.8Very high120 Ų12037 Ų3752%0.52221%0.21SC..BIsolated β-bridgetrans-117.5146.7179.2-70.4-177.7172.4-171.90111.9Y138 F145 M147Y138-K140 HydrophobicContact CE1-CD 4.39Å; Y138-K140 HydrophobicContact CE1-CG 3.91Å; Y138-K140 WeakPolarHBondContact OH-CE 3.34Å; K140-F145 CarbonylContact C-O 3.59Å; K140-F145 WeakPolarHBondContact CA-O 3.29Å; K140-M147 WeakPolarHBondContact O-CE 3.49Å
141T98.4Very high95.8Very high11 Ų1136.5 Ų36.57%0.06721%0.208CC..  trans-66.1171.2166.166.60000110.9A105 D143 G144 F145 M147A105-T141 HydrophobicContact CB-CG2 4.12Å; A105-T141 VanDerWaalsContact O-CB 3.29Å; A105-T141 WeakPolarHBondContact O-CB 3.35Å; T141-D143 PolarHBondContact O-N 3.46Å; T141-D143 VanDerWaalsContact O-N 3.14Å; T141-D143 PolarHBondContact OG1-N 3.13Å; T141-G144 PolarHBondContact O-N 3.34Å; T141-G144 PolarHBondContact OG1-N 3.34Å; T141-F145 HydrophobicContact CG2-CB 4.25Å; T141-F145 PolarHBondContact N-O 3.46Å; T141-F145 WeakPolarHBondContact OG1-CB 3.21Å; T141-F145 PolarHBondContact OG1-N 3.29Å; T141-F145 VanDerWaalsContact OG1-N 3.12Å; T141-M147 HydrophobicContact CG2-SD 4.16Å
142A98.2Very high96Very high82 Ų8235.8 Ų35.868%0.67820%0.202SC*.THydrogen-bonded Turntrans-56.5-29.417600000112.6A105A105-A142 PolarHBondContact O-N 2.87Å
143D98.3Very high96.3Very high69 Ų6934.3 Ų34.337%0.36919%0.187SC..THydrogen-bonded Turntrans-96.67.4-177.6-46.4-93.9000113.2S106 L107 T141 F145S106-D143 WeakPolarHBondContact CA-OD2 3.23Å; L107-D143 WeakPolarHBondContact CB-OD1 3.2Å; L107-D143 HydrophobicContact CD1-CB 4.18Å; L107-D143 HydrophobicContact CG-CB 3.99Å; L107-D143 VanDerWaalsContact CG-CG 3.41Å; L107-D143 WeakPolarHBondContact CG-OD2 3.32Å; L107-D143 PolarHBondContact N-OD2 3.49Å; T141-D143 PolarHBondContact O-N 3.46Å; T141-D143 VanDerWaalsContact O-N 3.14Å; T141-D143 PolarHBondContact OG1-N 3.13Å; D143-F145 HydrophobicContact CB-CD2 4.1Å; D143-F145 HydrophobicContact CB-CE2 3.94Å
144G97.7Very high96.6Very high36 Ų3633.3 Ų33.337%0.37118%0.182SC..SBendtrans88.65.1171.600000116.3T141T141-G144 PolarHBondContact O-N 3.34Å; T141-G144 PolarHBondContact OG1-N 3.34Å
145F98.3Very high96.9Very high21 Ų2133.1 Ų33.19%0.09218%0.181CC..SBendtrans-75.5151.3173.3-57.7-61.8000111.4L107 K140 T141 D143 M147 F154 L316 L317L107-F145 HydrophobicContact CD1-CE2 3.98Å; L107-F145 HydrophobicContact CD2-CE2 4.28Å; L107-F145 HydrophobicContact CG-CE2 4.29Å; K140-F145 CarbonylContact C-O 3.59Å; K140-F145 WeakPolarHBondContact CA-O 3.29Å; T141-F145 HydrophobicContact CG2-CB 4.25Å; T141-F145 PolarHBondContact N-O 3.46Å; T141-F145 WeakPolarHBondContact OG1-CB 3.21Å; T141-F145 PolarHBondContact OG1-N 3.29Å; T141-F145 VanDerWaalsContact OG1-N 3.12Å; D143-F145 HydrophobicContact CB-CD2 4.1Å; D143-F145 HydrophobicContact CB-CE2 3.94Å; F145-M147 PolarHBondContact O-N 2.81Å; F145-F154 HydrophobicContact CB-CD2 4.09Å; F145-F154 HydrophobicContact CB-CE2 4.44Å; F145-F154 HydrophobicContact CD1-CD2 4.02Å; F145-F154 HydrophobicContact CD1-CE2 4.01Å; F145-F154 HydrophobicContact CD2-CD2 4.41Å; F145-F154 AromaticContact CG-CD2 3.91Å; F145-F154 HydrophobicContact CG-CD2 3.91Å; F145-F154 HydrophobicContact CG-CE2 4.3Å; F145-L316 HydrophobicContact CE1-CB 4.2Å; F145-L316 WeakPolarHBondContact CZ-O 3.36Å; F145-L317 HydrophobicContact CE2-CD2 4.23Å; F145-L317 HydrophobicContact CZ-CD2 4.3Å
146E97.9Very high97.4Very high1 Ų132.8 Ų32.81%0.00518%0.178CC..BIsolated β-bridgetrans-56.2131.4167.6-174.8-74136.400109.4Y138 T148 M149 G150 Q194 Y200 V205Y138-E146 HydrophobicContact CD2-CG 4.16Å; Y138-E146 HydrophobicContact CE2-CB 4.22Å; Y138-E146 HydrophobicContact CE2-CG 3.92Å; E146-T148 VanDerWaalsContact CD-N 3.26Å; E146-T148 PolarHBondContact O-N 3.01Å; E146-T148 WeakPolarHBondContact OE1-CB 3.41Å; E146-T148 PolarHBondContact OE1-N 2.67Å; E146-T148 PolarHBondContact OE1-OG1 3.44Å; E146-T148 WeakPolarHBondContact OE2-CB 3.3Å; E146-T148 PolarHBondContact OE2-N 3.01Å; E146-T148 VanDerWaalsContact OE2-N 3.12Å; E146-M149 PolarHBondContact O-N 3.34Å; E146-M149 WeakPolarHBondContact OE2-CB 3.42Å; E146-M149 PolarHBondContact OE2-N 2.93Å; E146-G150 WeakPolarHBondContact O-CA 3.24Å; E146-G150 PolarHBondContact O-N 2.88Å; E146-Q194 HydrophobicContact CB-CG 4.48Å; E146-Y200 HydrophobicContact CG-CD2 4.44Å; E146-Y200 HydrophobicContact CG-CE2 4.15Å; E146-V205 HydrophobicContact CG-CG1 4.48Å; E146-V205 WeakPolarHBondContact OE2-CG1 3.39Å
147M98.1Very high97.9Very high24 Ų2431.5 Ų31.512%0.11817%0.17CC..Hα-helixtrans-56-45.6-166.3-177.462.47300114.7A105 L133 V135 E139 K140 T141 F145 V151A105-M147 HydrophobicContact CB-SD 3.93Å; L133-M147 HydrophobicContact CD1-CG 4.38Å; V135-M147 HydrophobicContact CG1-CG 3.89Å; V135-M147 HydrophobicContact CG2-CB 3.81Å; V135-M147 HydrophobicContact CG2-CG 4.03Å; E139-M147 HydrophobicContact CB-CB 4.04Å; E139-M147 HydrophobicContact CB-CE 4.36Å; E139-M147 WeakPolarHBondContact O-CB 3.17Å; E139-M147 PolarHBondContact O-N 2.74Å; K140-M147 WeakPolarHBondContact O-CE 3.49Å; T141-M147 HydrophobicContact CG2-SD 4.16Å; F145-M147 PolarHBondContact O-N 2.81Å; M147-V151 WeakPolarHBondContact O-CB 3.48Å; M147-V151 WeakPolarHBondContact O-CG2 3.46Å; M147-V151 PolarHBondContact O-N 3.37Å; M147-V151 HydrophobicContact SD-CG2 4.04Å
148T97.2Very high98.2Very high0 Ų025.9 Ų25.90%015%0.145CC..Hα-helixtrans-68.4-46.4-177.4-590000111.3V135 E146 N152 V205 Y206V135-T148 WeakPolarHBondContact CG2-OG1 3.49Å; V135-T148 PolarHBondContact N-OG1 2.99Å; E146-T148 VanDerWaalsContact CD-N 3.26Å; E146-T148 PolarHBondContact O-N 3.01Å; E146-T148 WeakPolarHBondContact OE1-CB 3.41Å; E146-T148 PolarHBondContact OE1-N 2.67Å; E146-T148 PolarHBondContact OE1-OG1 3.44Å; E146-T148 WeakPolarHBondContact OE2-CB 3.3Å; E146-T148 PolarHBondContact OE2-N 3.01Å; E146-T148 VanDerWaalsContact OE2-N 3.12Å; T148-N152 WeakPolarHBondContact CG2-ND2 3.22Å; T148-N152 WeakPolarHBondContact O-CB 3.34Å; T148-N152 PolarHBondContact O-N 3.02Å; T148-V205 HydrophobicContact CG2-CG1 3.94Å; T148-Y206 HydrophobicContact CG2-CD2 4.38Å
149M98.2Very high98.3Very high6 Ų622.9 Ų22.93%0.0313%0.133CC..Hα-helixtrans-67.2-40.1176.7-16660.8169.500111.5E146 H153 F154 L193 Q194 A212E146-M149 PolarHBondContact O-N 3.34Å; E146-M149 WeakPolarHBondContact OE2-CB 3.42Å; E146-M149 PolarHBondContact OE2-N 2.93Å; M149-H153 HydrophobicContact CE-CB 4.14Å; M149-H153 WeakPolarHBondContact O-CA 3.42Å; M149-H153 WeakPolarHBondContact O-CB 3.42Å; M149-H153 PolarHBondContact O-N 3.01Å; M149-H153 HydrophobicContact SD-CB 3.89Å; M149-F154 HydrophobicContact CB-CD2 4.45Å; M149-F154 HydrophobicContact CB-CE2 4.2Å; M149-F154 HydrophobicContact CG-CD2 3.97Å; M149-F154 HydrophobicContact CG-CE2 3.48Å; M149-F154 VanDerWaalsContact CG-CE2 3.48Å; M149-F154 HydrophobicContact CG-CZ 4.12Å; M149-F154 PolarHBondContact O-N 3.33Å; M149-L193 HydrophobicContact CE-CB 3.78Å; M149-L193 WeakPolarHBondContact CE-O 3.42Å; M149-Q194 HydrophobicContact CB-CG 4.17Å; M149-Q194 HydrophobicContact CG-CG 3.94Å; M149-A212 HydrophobicContact CE-CB 3.73Å; M149-A212 HydrophobicContact SD-CB 4.42Å
150G98.5Very high98.4Very high2 Ų218.3 Ų18.32%0.02111%0.112CC..Iπ-helixtrans-51-57.6172.200000112.4E146 F154 G155E146-G150 WeakPolarHBondContact O-CA 3.24Å; E146-G150 PolarHBondContact O-N 2.88Å; G150-F154 PolarHBondContact O-N 3.44Å; G150-G155 PolarHBondContact O-N 2.89Å
151V98.5Very high98.4Very high10 Ų1013.5 Ų13.56%0.0619%0.091CC..Iπ-helixtrans-75.1-48.8-178169.90000112.2L104 A105 L133 M147 T156L104-V151 HydrophobicContact CB-CG1 4.06Å; L104-V151 HydrophobicContact CD1-CG1 4.45Å; A105-V151 HydrophobicContact CB-CG2 3.73Å; L133-V151 HydrophobicContact CD2-CB 4.22Å; L133-V151 HydrophobicContact CD2-CG1 4.06Å; L133-V151 HydrophobicContact CD2-CG2 4.06Å; L133-V151 HydrophobicContact CG-CB 4.13Å; L133-V151 HydrophobicContact CG-CG1 3.95Å; L133-V151 HydrophobicContact CG-CG2 4.5Å; M147-V151 WeakPolarHBondContact O-CB 3.48Å; M147-V151 WeakPolarHBondContact O-CG2 3.46Å; M147-V151 PolarHBondContact O-N 3.37Å; M147-V151 HydrophobicContact SD-CG2 4.04Å; V151-T156 PolarHBondContact O-OG1 3.18Å
152N98.4Very high98.4Very high0 Ų015.2 Ų15.20%010%0.1CC..Iπ-helixtrans-72.3-37.4-169.7-68.2-5.2000112.3G132 L133 T148 T156 S209 N213G132-N152 WeakPolarHBondContact CA-OD1 3.39Å; L133-N152 PolarHBondContact N-OD1 2.9Å; L133-N152 PolarHBondContact O-ND2 2.69Å; L133-N152 PolarHBondContact O-OD1 2.88Å; T148-N152 WeakPolarHBondContact CG2-ND2 3.22Å; T148-N152 WeakPolarHBondContact O-CB 3.34Å; T148-N152 PolarHBondContact O-N 3.02Å; N152-T156 WeakPolarHBondContact O-CB 3.46Å; N152-T156 PolarHBondContact O-OG1 2.79Å; N152-S209 PolarHBondContact ND2-OG 3.35Å; N152-N213 PolarHBondContact O-ND2 3.3Å; N152-N213 PolarHBondContact O-OD1 3.1Å
153H98.7Very high98.4Very high0 Ų011.3 Ų11.30%07%0.068CC..Iπ-helixtrans-113.5-64.6-174.5178.154.4000112.6M149 G155 T156 F157 A212 F309 T313M149-H153 HydrophobicContact CE-CB 4.14Å; M149-H153 WeakPolarHBondContact O-CA 3.42Å; M149-H153 WeakPolarHBondContact O-CB 3.42Å; M149-H153 PolarHBondContact O-N 3.01Å; M149-H153 HydrophobicContact SD-CB 3.89Å; H153-G155 PolarHBondContact O-N 2.97Å; H153-T156 CarbonylContact O-C 3.52Å; H153-T156 WeakPolarHBondContact O-CB 3.46Å; H153-T156 PolarHBondContact O-N 3.11Å; H153-F157 AromaticContact CE1-CD2 3.82Å; H153-F157 VanDerWaalsContact O-CB 3.29Å; H153-F157 WeakPolarHBondContact O-CB 3.18Å; H153-F157 PolarHBondContact O-N 3.09Å; H153-A212 HydrophobicContact CB-CB 3.97Å; H153-F309 AromaticContact CE1-CE1 3.97Å; H153-F309 AromaticContact CE1-CE2 3.83Å; H153-F309 AromaticContact CE1-CZ 3.14Å; H153-F309 WeakPolarHBondContact CE1-CZ 3.39Å; H153-F309 AromaticContact ND1-CZ 3.9Å; H153-F309 AromaticContact NE2-CE2 3.61Å; H153-F309 AromaticContact NE2-CZ 3.39Å; H153-F309 WeakPolarHBondContact NE2-CZ 3.16Å; H153-T313 WeakPolarHBondContact NE2-CG2 3.45Å; H153-T313 PolarHBondContact NE2-OG1 2.89Å
154F98.7Very high98.4Very high0 Ų08.2 Ų8.20%05%0.051CC..Iπ-helixtrans-61.5-45.9-170.1-68.5-54.7000113.2F145 M149 G150 F157 L158 L193 Q194 T313 L316 L317F145-F154 HydrophobicContact CB-CD2 4.09Å; F145-F154 HydrophobicContact CB-CE2 4.44Å; F145-F154 HydrophobicContact CD1-CD2 4.02Å; F145-F154 HydrophobicContact CD1-CE2 4.01Å; F145-F154 HydrophobicContact CD2-CD2 4.41Å; F145-F154 AromaticContact CG-CD2 3.91Å; F145-F154 HydrophobicContact CG-CD2 3.91Å; F145-F154 HydrophobicContact CG-CE2 4.3Å; M149-F154 HydrophobicContact CB-CD2 4.45Å; M149-F154 HydrophobicContact CB-CE2 4.2Å; M149-F154 HydrophobicContact CG-CD2 3.97Å; M149-F154 HydrophobicContact CG-CE2 3.48Å; M149-F154 VanDerWaalsContact CG-CE2 3.48Å; M149-F154 HydrophobicContact CG-CZ 4.12Å; M149-F154 PolarHBondContact O-N 3.33Å; G150-F154 PolarHBondContact O-N 3.44Å; F154-F157 PolarHBondContact O-N 2.62Å; F154-L158 PolarHBondContact O-N 2.92Å; F154-L193 HydrophobicContact CE1-CD1 4.28Å; F154-L193 HydrophobicContact CZ-CB 4.04Å; F154-L193 HydrophobicContact CZ-CD1 4.5Å; F154-Q194 VanDerWaalsContact CE2-CD 3.43Å; F154-Q194 HydrophobicContact CE2-CG 3.68Å; F154-Q194 HydrophobicContact CZ-CG 4.11Å; F154-T313 HydrophobicContact CD1-CG2 4.16Å; F154-T313 HydrophobicContact CE1-CG2 4.37Å; F154-L316 HydrophobicContact CE1-CB 4.37Å; F154-L316 HydrophobicContact CE1-CD1 3.75Å; F154-L316 HydrophobicContact CZ-CD1 3.7Å; F154-L317 HydrophobicContact CB-CD2 4.05Å; F154-L317 HydrophobicContact CD1-CD1 4.49Å; F154-L317 HydrophobicContact CD1-CD2 4.46Å; F154-L317 HydrophobicContact CD1-CG 4.34Å
155G98.8Very high98.3Very high1 Ų110.3 Ų10.31%0.016%0.058CC..Iπ-helixtrans-65.9-42.7176.800000112G150 H153 F157 L158 L159G150-G155 PolarHBondContact O-N 2.89Å; H153-G155 PolarHBondContact O-N 2.97Å; G155-F157 VanDerWaalsContact C-N 3.34Å; G155-F157 PolarHBondContact O-N 3.04Å; G155-L158 PolarHBondContact O-N 2.82Å; G155-L159 VanDerWaalsContact O-CB 3.3Å; G155-L159 WeakPolarHBondContact O-CB 3.28Å; G155-L159 PolarHBondContact O-N 3.39Å
156T98.8Very high98.3Very high1 Ų19.3 Ų9.31%0.0065%0.054CC..Hα-helixtrans-59.2-43.3173.9-64.40000112.2N129 V151 N152 H153 T160 I177N129-T156 HydrophobicContact CB-CG2 3.65Å; V151-T156 PolarHBondContact O-OG1 3.18Å; N152-T156 WeakPolarHBondContact O-CB 3.46Å; N152-T156 PolarHBondContact O-OG1 2.79Å; H153-T156 CarbonylContact O-C 3.52Å; H153-T156 WeakPolarHBondContact O-CB 3.46Å; H153-T156 PolarHBondContact O-N 3.11Å; T156-T160 WeakPolarHBondContact O-CB 3.39Å; T156-T160 PolarHBondContact O-N 2.81Å; T156-T160 PolarHBondContact O-OG1 2.89Å; T156-I177 HydrophobicContact CG2-CG2 4.25Å
157F98.8Very high98.4Very high0 Ų09.3 Ų9.30%05%0.054CC..Hα-helixtrans-63.5-54.7178.5-170.9-78.8000110.2H153 F154 G155 L159 T160 E161 H216 W310 T313 L317 I319H153-F157 AromaticContact CE1-CD2 3.82Å; H153-F157 VanDerWaalsContact O-CB 3.29Å; H153-F157 WeakPolarHBondContact O-CB 3.18Å; H153-F157 PolarHBondContact O-N 3.09Å; F154-F157 PolarHBondContact O-N 2.62Å; G155-F157 VanDerWaalsContact C-N 3.34Å; G155-F157 PolarHBondContact O-N 3.04Å; F157-L159 VanDerWaalsContact C-N 3.31Å; F157-L159 PolarHBondContact O-N 3.07Å; F157-T160 WeakPolarHBondContact O-CB 3.44Å; F157-T160 PolarHBondContact O-N 2.81Å; F157-T160 VanDerWaalsContact O-N 3.09Å; F157-E161 HydrophobicContact CD1-CG 3.77Å; F157-E161 HydrophobicContact CE1-CG 3.52Å; F157-E161 HydrophobicContact CZ-CG 4.25Å; F157-E161 WeakPolarHBondContact O-CG 2.8Å; F157-E161 PolarHBondContact O-N 3.13Å; F157-H216 AromaticContact CD2-CD2 3.52Å; F157-H216 AromaticContact CD2-CE1 3.7Å; F157-H216 AromaticContact CD2-CG 3.72Å; F157-H216 AromaticContact CD2-ND1 3.79Å; F157-H216 AromaticContact CD2-NE2 3.54Å; F157-H216 AromaticContact CE2-CD2 3.65Å; F157-H216 AromaticContact CE2-NE2 3.86Å; F157-W310 HydrophobicContact CE2-CD2 4.22Å; F157-W310 AromaticContact CE2-CE3 3.69Å; F157-W310 HydrophobicContact CE2-CE3 3.69Å; F157-W310 AromaticContact CE2-CH2 3.97Å; F157-W310 HydrophobicContact CE2-CH2 3.97Å; F157-W310 HydrophobicContact CE2-CZ2 4.47Å; F157-W310 AromaticContact CE2-CZ3 3.56Å; F157-W310 HydrophobicContact CE2-CZ3 3.56Å; F157-W310 AromaticContact CZ-CD2 3.97Å; F157-W310 HydrophobicContact CZ-CD2 3.97Å; F157-W310 AromaticContact CZ-CE2 3.94Å; F157-W310 AromaticContact CZ-CE3 3.87Å; F157-W310 HydrophobicContact CZ-CE3 3.87Å; F157-W310 AromaticContact CZ-CH2 3.7Å; F157-W310 HydrophobicContact CZ-CH2 3.7Å; F157-W310 AromaticContact CZ-CZ2 3.8Å; F157-W310 HydrophobicContact CZ-CZ2 3.8Å; F157-W310 AromaticContact CZ-CZ3 3.75Å; F157-W310 HydrophobicContact CZ-CZ3 3.75Å; F157-T313 HydrophobicContact CB-CG2 4.12Å; F157-T313 HydrophobicContact CD1-CG2 3.63Å; F157-T313 HydrophobicContact CD2-CG2 3.59Å; F157-T313 HydrophobicContact CE1-CG2 3.84Å; F157-T313 HydrophobicContact CE2-CG2 3.8Å; F157-T313 HydrophobicContact CG-CG2 3.5Å; F157-T313 VanDerWaalsContact CG-CG2 3.5Å; F157-T313 HydrophobicContact CZ-CG2 3.92Å; F157-L317 HydrophobicContact CB-CD1 4.09Å; F157-L317 HydrophobicContact CD1-CD1 3.49Å; F157-L317 VanDerWaalsContact CD1-CD1 3.49Å; F157-L317 HydrophobicContact CE1-CD1 4.29Å; F157-L317 HydrophobicContact CG-CD1 4.11Å; F157-I319 HydrophobicContact CD1-CD1 4.01Å; F157-I319 HydrophobicContact CE1-CD1 3.94Å
158L98.7Very high98.3Very high1 Ų112.6 Ų12.61%0.0057%0.067CC..Hα-helixtrans-57.9-43.8178.9-179.963.1000111.9L107 I110 R111 F154 G155 T160 E161 L162 L317 I319L107-L158 HydrophobicContact CB-CD2 3.83Å; L107-L158 HydrophobicContact CD1-CD2 4.49Å; L107-L158 HydrophobicContact CD2-CD2 3.61Å; L107-L158 HydrophobicContact CG-CD2 4.14Å; I110-L158 HydrophobicContact CB-CD2 4.17Å; I110-L158 HydrophobicContact CD1-CD2 4.33Å; I110-L158 HydrophobicContact CG2-CB 4.32Å; I110-L158 HydrophobicContact CG2-CD2 4.05Å; I110-L158 HydrophobicContact CG2-CG 3.94Å; R111-L158 HydrophobicContact CG-CD2 4.43Å; F154-L158 PolarHBondContact O-N 2.92Å; G155-L158 PolarHBondContact O-N 2.82Å; L158-T160 VanDerWaalsContact C-N 3.3Å; L158-T160 PolarHBondContact O-N 2.65Å; L158-E161 PolarHBondContact O-N 2.99Å; L158-L162 HydrophobicContact CD1-CD1 3.8Å; L158-L162 HydrophobicContact CD1-CD2 4.38Å; L158-L162 HydrophobicContact CD1-CG 3.86Å; L158-L162 HydrophobicContact CD2-CD1 4.32Å; L158-L162 HydrophobicContact CG-CD1 3.73Å; L158-L162 HydrophobicContact CG-CG 4.22Å; L158-L162 WeakPolarHBondContact O-CB 3.31Å; L158-L162 VanDerWaalsContact O-CG 3.23Å; L158-L162 WeakPolarHBondContact O-CG 3.3Å; L158-L162 PolarHBondContact O-N 3.16Å; L158-L317 HydrophobicContact CB-CD1 4.17Å; L158-L317 HydrophobicContact CB-CD2 4.48Å; L158-I319 HydrophobicContact CD1-CD1 3.74Å; L158-I319 HydrophobicContact CD1-CG1 4.05Å
159L98.8Very high98.3Very high0 Ų018.3 Ų18.30%09%0.089CC..Hα-helixtrans-58.6-44.9177.6177.566.1000111.4T26 L102 L104 I110 F113 L127 G155 F157 L163T26-L159 HydrophobicContact CG2-CD2 3.63Å; L102-L159 HydrophobicContact CD1-CD1 4.43Å; L102-L159 HydrophobicContact CD2-CD1 4.5Å; L102-L159 HydrophobicContact CD2-CD2 3.84Å; L104-L159 HydrophobicContact CD2-CB 4.48Å; L104-L159 HydrophobicContact CD2-CD2 4.25Å; I110-L159 HydrophobicContact CG2-CB 3.82Å; I110-L159 HydrophobicContact CG2-CD1 4.14Å; F113-L159 HydrophobicContact CD1-CD1 3.59Å; F113-L159 HydrophobicContact CE1-CD1 3.74Å; L127-L159 HydrophobicContact CD1-CD2 4.38Å; G155-L159 VanDerWaalsContact O-CB 3.3Å; G155-L159 WeakPolarHBondContact O-CB 3.28Å; G155-L159 PolarHBondContact O-N 3.39Å; F157-L159 VanDerWaalsContact C-N 3.31Å; F157-L159 PolarHBondContact O-N 3.07Å; L159-L163 HydrophobicContact CD1-CD1 3.72Å; L159-L163 HydrophobicContact CD1-CG 4.22Å; L159-L163 HydrophobicContact CG-CD1 4.02Å; L159-L163 WeakPolarHBondContact O-CB 3.25Å; L159-L163 WeakPolarHBondContact O-CG 3.22Å; L159-L163 PolarHBondContact O-N 3.22Å; L159-L163 VanDerWaalsContact O-N 3.12Å
160T98.8Very high98.3Very high0 Ų018.2 Ų18.20%09%0.089CC..Hα-helixtrans-62.6-52.2-179.6-57.70000110.1L127 N129 T156 F157 L158 L162 L163 L164 I175 L220L127-T160 HydrophobicContact CD2-CG2 4.26Å; N129-T160 PolarHBondContact ND2-OG1 3.48Å; T156-T160 WeakPolarHBondContact O-CB 3.39Å; T156-T160 PolarHBondContact O-N 2.81Å; T156-T160 PolarHBondContact O-OG1 2.89Å; F157-T160 WeakPolarHBondContact O-CB 3.44Å; F157-T160 PolarHBondContact O-N 2.81Å; F157-T160 VanDerWaalsContact O-N 3.09Å; L158-T160 VanDerWaalsContact C-N 3.3Å; L158-T160 PolarHBondContact O-N 2.65Å; T160-L162 PolarHBondContact O-N 2.79Å; T160-L163 PolarHBondContact O-N 2.91Å; T160-L163 VanDerWaalsContact O-N 3.13Å; T160-L164 WeakPolarHBondContact O-CG 3.41Å; T160-L164 PolarHBondContact O-N 2.96Å; T160-I175 HydrophobicContact CG2-CD1 3.91Å; T160-I175 HydrophobicContact CG2-CG2 4.02Å; T160-L220 HydrophobicContact CG2-CD2 3.65Å
161E98.1Very high98.3Very high18 Ų1821.2 Ų21.28%0.08411%0.107CC..Hα-helixtrans-55.8-47.1178.9-71.3-55115.900112.4F157 L158 L163 L164 W310 I319 T323F157-E161 HydrophobicContact CD1-CG 3.77Å; F157-E161 HydrophobicContact CE1-CG 3.52Å; F157-E161 HydrophobicContact CZ-CG 4.25Å; F157-E161 WeakPolarHBondContact O-CG 2.8Å; F157-E161 PolarHBondContact O-N 3.13Å; L158-E161 PolarHBondContact O-N 2.99Å; E161-L163 VanDerWaalsContact C-N 3.3Å; E161-L163 PolarHBondContact O-N 3.43Å; E161-L164 WeakPolarHBondContact O-CB 3.33Å; E161-L164 PolarHBondContact O-N 2.95Å; E161-W310 WeakPolarHBondContact OE1-CH2 3.47Å; E161-I319 HydrophobicContact CB-CD1 4.24Å; E161-I319 HydrophobicContact CG-CD1 4.12Å; E161-T323 VanDerWaalsContact OE2-CG2 3.28Å; E161-T323 WeakPolarHBondContact OE2-CG2 3.39Å
162L98.3Very high98.2Very high47 Ų4725.8 Ų25.825%0.24614%0.137CC..Hα-helixtrans-66.1-31.7-179.6-68.6172.7000112.9I110 R111 A114 I118 L158 T160 P165I110-L162 HydrophobicContact CG2-CD1 4.05Å; R111-L162 HydrophobicContact CB-CD1 4.4Å; R111-L162 HydrophobicContact CG-CD1 3.79Å; A114-L162 HydrophobicContact CB-CB 3.63Å; A114-L162 HydrophobicContact CB-CD1 4.03Å; A114-L162 HydrophobicContact CB-CG 4.48Å; I118-L162 VanDerWaalsContact CD1-O 3.3Å; I118-L162 WeakPolarHBondContact CD1-O 3.22Å; L158-L162 HydrophobicContact CD1-CD1 3.8Å; L158-L162 HydrophobicContact CD1-CD2 4.38Å; L158-L162 HydrophobicContact CD1-CG 3.86Å; L158-L162 HydrophobicContact CD2-CD1 4.32Å; L158-L162 HydrophobicContact CG-CD1 3.73Å; L158-L162 HydrophobicContact CG-CG 4.22Å; L158-L162 WeakPolarHBondContact O-CB 3.31Å; L158-L162 VanDerWaalsContact O-CG 3.23Å; L158-L162 WeakPolarHBondContact O-CG 3.3Å; L158-L162 PolarHBondContact O-N 3.16Å; T160-L162 PolarHBondContact O-N 2.79Å; L162-P165 WeakPolarHBondContact O-CD 3.19Å
163L98.6Very high98.2Very high0 Ų025.9 Ų25.90%014%0.137CC..Hα-helixtrans-85.9-9.8178.5-68.2177.1000113.4I24 F113 A114 I117 I118 L124 L127 L159 T160 E161 P165 L166 I167I24-L163 HydrophobicContact CD1-CD1 3.83Å; F113-L163 HydrophobicContact CE1-CD1 4.42Å; A114-L163 HydrophobicContact CB-CD2 4.12Å; A114-L163 HydrophobicContact CB-CG 4.46Å; I117-L163 HydrophobicContact CB-CD2 4.2Å; I117-L163 HydrophobicContact CG2-CD2 4.07Å; I118-L163 HydrophobicContact CG1-CD2 4.23Å; L124-L163 HydrophobicContact CD2-CB 4.38Å; L124-L163 HydrophobicContact CD2-CD1 4.08Å; L127-L163 HydrophobicContact CD1-CD1 4.02Å; L127-L163 HydrophobicContact CD2-CD1 4.23Å; L159-L163 HydrophobicContact CD1-CD1 3.72Å; L159-L163 HydrophobicContact CD1-CG 4.22Å; L159-L163 HydrophobicContact CG-CD1 4.02Å; L159-L163 WeakPolarHBondContact O-CB 3.25Å; L159-L163 WeakPolarHBondContact O-CG 3.22Å; L159-L163 PolarHBondContact O-N 3.22Å; L159-L163 VanDerWaalsContact O-N 3.12Å; T160-L163 PolarHBondContact O-N 2.91Å; T160-L163 VanDerWaalsContact O-N 3.13Å; E161-L163 VanDerWaalsContact C-N 3.3Å; E161-L163 PolarHBondContact O-N 3.43Å; L163-P165 VanDerWaalsContact C-CD 3.45Å; L163-L166 HydrophobicContact CD2-CD2 4.42Å; L163-L166 WeakPolarHBondContact O-CB 3.17Å; L163-L166 PolarHBondContact O-N 3.48Å; L163-I167 HydrophobicContact CB-CD1 3.98Å; L163-I167 HydrophobicContact CB-CG1 4.45Å; L163-I167 WeakPolarHBondContact O-CG1 3.24Å; L163-I167 PolarHBondContact O-N 3.3Å
164L98.1Very high98.2Very high5 Ų527.4 Ų27.43%0.02614%0.143CC..Hα-helixtrans-52.6-42.5-178.8-76.2-178.8000114.2T160 E161 L166 I167 K168 I175 L220 L224 T323T160-L164 WeakPolarHBondContact O-CG 3.41Å; T160-L164 PolarHBondContact O-N 2.96Å; E161-L164 WeakPolarHBondContact O-CB 3.33Å; E161-L164 PolarHBondContact O-N 2.95Å; L164-L166 PolarHBondContact O-N 3.48Å; L164-I167 PolarHBondContact O-N 3.46Å; L164-K168 WeakPolarHBondContact O-CB 3.48Å; L164-K168 WeakPolarHBondContact O-CG 3.32Å; L164-K168 PolarHBondContact O-N 3.1Å; L164-I175 HydrophobicContact CD2-CD1 3.88Å; L164-L220 HydrophobicContact CD1-CD1 4.28Å; L164-L224 HydrophobicContact CD2-CD1 3.86Å; L164-L224 HydrophobicContact CD2-CD2 4.43Å; L164-T323 HydrophobicContact CD1-CG2 3.49Å; L164-T323 VanDerWaalsContact CD1-CG2 3.49Å
165P96.4Very high98.2Very high79 Ų7927.4 Ų27.451%0.51314%0.143SC..Hα-helixtrans-59.4-35177.8-25.335.6000113.2L162 L163L162-P165 WeakPolarHBondContact O-CD 3.19Å; L163-P165 VanDerWaalsContact C-CD 3.45Å
166L98.3Very high98.2Very high0 Ų027.4 Ų27.40%014%0.143CC..Hα-helixtrans-76.3-39176165.157.5000111.8I117 I118 E123 L124 L163 L164 R169 S170I117-L166 HydrophobicContact CG2-CD2 3.63Å; I118-L166 HydrophobicContact CG1-CB 4.18Å; I118-L166 HydrophobicContact CG1-CD2 4.27Å; E123-L166 VanDerWaalsContact C-CD1 3.5Å; L124-L166 HydrophobicContact CB-CD1 3.9Å; L124-L166 HydrophobicContact CB-CD2 3.82Å; L124-L166 HydrophobicContact CB-CG 3.58Å; L124-L166 HydrophobicContact CD2-CD2 4.16Å; L124-L166 HydrophobicContact CD2-CG 4.36Å; L163-L166 HydrophobicContact CD2-CD2 4.42Å; L163-L166 WeakPolarHBondContact O-CB 3.17Å; L163-L166 PolarHBondContact O-N 3.48Å; L164-L166 PolarHBondContact O-N 3.48Å; L166-R169 HydrophobicContact CD1-CG 4.46Å; L166-R169 VanDerWaalsContact CD1-NE 3.3Å; L166-R169 WeakPolarHBondContact O-CG 3.5Å; L166-S170 PolarHBondContact O-OG 2.96Å
167I98.6Very high98.2Very high1 Ų127.3 Ų27.31%0.00514%0.142CC..Hα-helixtrans-66.8-39.6177.1-64.7168.3000111.4L124 L127 L163 L164 R169 S170 S173 I175 I229L124-I167 HydrophobicContact CD2-CD1 4.26Å; L124-I167 HydrophobicContact CD2-CG1 3.79Å; L124-I167 HydrophobicContact CG-CG1 4.21Å; L127-I167 HydrophobicContact CB-CD1 4.08Å; L127-I167 HydrophobicContact CD2-CD1 3.9Å; L163-I167 HydrophobicContact CB-CD1 3.98Å; L163-I167 HydrophobicContact CB-CG1 4.45Å; L163-I167 WeakPolarHBondContact O-CG1 3.24Å; L163-I167 PolarHBondContact O-N 3.3Å; L164-I167 PolarHBondContact O-N 3.46Å; I167-R169 PolarHBondContact O-N 2.9Å; I167-S170 PolarHBondContact O-N 3.47Å; I167-S170 VanDerWaalsContact O-N 3.14Å; I167-S173 WeakPolarHBondContact CG2-OG 3.3Å; I167-S173 PolarHBondContact O-OG 2.79Å; I167-I175 HydrophobicContact CD1-CD1 4.04Å; I167-I175 HydrophobicContact CD1-CG1 4.02Å; I167-I175 HydrophobicContact CG2-CD1 4.29Å; I167-I175 HydrophobicContact CG2-CG1 4.31Å; I167-I229 HydrophobicContact CG2-CD1 3.89Å; I167-I229 HydrophobicContact CG2-CG1 4.15Å; I167-I229 HydrophobicContact CG2-CG2 4.03Å
168K97.8Very high98.2Very high94 Ų9427.6 Ų27.641%0.40914%0.144SC..Hα-helixtrans-62-39178.2-78.5178.4176.7-177.50113L164 S170 T171 I229L164-K168 WeakPolarHBondContact O-CB 3.48Å; L164-K168 WeakPolarHBondContact O-CG 3.32Å; L164-K168 PolarHBondContact O-N 3.1Å; K168-S170 PolarHBondContact O-N 3.48Å; K168-T171 VanDerWaalsContact O-CG2 3.24Å; K168-T171 WeakPolarHBondContact O-CG2 3.39Å; K168-I229 HydrophobicContact CB-CD1 4.39Å; K168-I229 HydrophobicContact CG-CD1 3.58Å
169R96.5Very high98.2Very high119 Ų11927.7 Ų27.745%0.44914%0.144SC..THydrogen-bonded Turntrans-76.4-6.6176.564.8179.7-174.6-11517.1114.2I118 Y121 P122 L166 I167I118-R169 PolarHBondContact O-NH2 2.9Å; Y121-R169 PolarHBondContact O-NH2 3.42Å; P122-R169 PolarHBondContact O-NE 3.13Å; L166-R169 HydrophobicContact CD1-CG 4.46Å; L166-R169 VanDerWaalsContact CD1-NE 3.3Å; L166-R169 WeakPolarHBondContact O-CG 3.5Å; I167-R169 PolarHBondContact O-N 2.9Å
170S98.3Very high97.9Very high5 Ų528.3 Ų28.34%0.03515%0.149CC..THydrogen-bonded Turntrans-11120.4-172.8-50.40000112.4E123 L124 L166 I167 K168 P172E123-S170 WeakPolarHBondContact CA-OG 3.11Å; L124-S170 PolarHBondContact N-OG 3.29Å; L124-S170 WeakPolarHBondContact O-CB 3.4Å; L166-S170 PolarHBondContact O-OG 2.96Å; I167-S170 PolarHBondContact O-N 3.47Å; I167-S170 VanDerWaalsContact O-N 3.14Å; K168-S170 PolarHBondContact O-N 3.48Å; S170-P172 CarbonylContact O-C 3.59Å
171T97.4Very high97.6Very high65 Ų6532 Ų3240%0.39917%0.171SC..  trans-68.9143-174.852.70000110.8K168 S227 I229K168-T171 VanDerWaalsContact O-CG2 3.24Å; K168-T171 WeakPolarHBondContact O-CG2 3.39Å; T171-S227 WeakPolarHBondContact CG2-O 3.19Å; T171-I229 HydrophobicContact CG2-CG1 3.86Å
172P97.6Very high97.4Very high106 Ų10632.6 Ų32.669%0.68818%0.177SC*.SBendcis-70.8132-1.630.6-35.1000112.2S170S170-P172 CarbonylContact O-C 3.59Å
173S98.5Very high97.3Very high1 Ų130.3 Ų30.31%0.00717%0.166CC..EExtended strand (participates in β ladder)trans-135.3161.2-17857.20000111.2H125 I167 G228 I229 T230H125-S173 CarbonylContact O-C 3.59Å; H125-S173 VanDerWaalsContact O-CA 3.22Å; H125-S173 WeakPolarHBondContact O-CA 3.32Å; H125-S173 WeakPolarHBondContact O-CB 3.43Å; I167-S173 WeakPolarHBondContact CG2-OG 3.3Å; I167-S173 PolarHBondContact O-OG 2.79Å; S173-G228 PolarHBondContact N-O 3.49Å; S173-I229 WeakPolarHBondContact O-CA 3.49Å; S173-T230 PolarHBondContact O-N 3.02Å
174R98.7Very high97.2Very high33 Ų3335.2 Ų35.213%0.12519%0.185CC..EExtended strand (participates in β ladder)trans-134.2139.6-175.5-45.3-175.4-178.7-169.9-2112.8H125 F126 L127 T230 T276 V277 S279 D280H125-R174 PolarHBondContact O-N 3.22Å; F126-R174 WeakPolarHBondContact CA-O 3.23Å; F126-R174 HydrophobicContact CD1-CB 4Å; F126-R174 HydrophobicContact CD1-CG 4.07Å; F126-R174 HydrophobicContact CE1-CB 4.47Å; F126-R174 HydrophobicContact CE1-CG 4.03Å; L127-R174 PolarHBondContact N-O 3.24Å; R174-T230 CarbonylContact C-O 3.58Å; R174-T230 WeakPolarHBondContact CA-O 3.38Å; R174-T276 WeakPolarHBondContact CD-O 3.34Å; R174-T276 PolarHBondContact NH1-O 2.87Å; R174-V277 VanDerWaalsContact CZ-O 3.26Å; R174-V277 PolarHBondContact NH1-O 3.4Å; R174-S279 PolarHBondContact NH1-O 3.49Å; R174-S279 PolarHBondContact NH2-O 3.12Å; R174-D280 IonicContact NH2-OD1 3.06Å; R174-D280 PolarHBondContact NH2-OD1 2.88Å
175I98.9Very high97Very high0 Ų045 Ų450%022%0.221CC..EExtended strand (participates in β ladder)trans-115116171.9-58.4169.1000107.3L127 T160 L164 I167 I177 L220 L224 I229 T230 V231 V232L127-I175 HydrophobicContact CB-CG1 4.45Å; L127-I175 HydrophobicContact CD2-CG2 4.45Å; L127-I175 WeakPolarHBondContact O-CA 3.18Å; T160-I175 HydrophobicContact CG2-CD1 3.91Å; T160-I175 HydrophobicContact CG2-CG2 4.02Å; L164-I175 HydrophobicContact CD2-CD1 3.88Å; I167-I175 HydrophobicContact CD1-CD1 4.04Å; I167-I175 HydrophobicContact CD1-CG1 4.02Å; I167-I175 HydrophobicContact CG2-CD1 4.29Å; I167-I175 HydrophobicContact CG2-CG1 4.31Å; I175-I177 HydrophobicContact CG2-CD1 4.32Å; I175-I177 HydrophobicContact CG2-CG1 4Å; I175-L220 HydrophobicContact CD1-CD2 3.9Å; I175-L220 HydrophobicContact CG2-CD2 4.5Å; I175-L224 HydrophobicContact CD1-CD1 4.19Å; I175-I229 HydrophobicContact CD1-CG2 3.97Å; I175-I229 HydrophobicContact CG1-CG2 4.19Å; I175-T230 PolarHBondContact N-O 3.33Å; I175-V231 HydrophobicContact CB-CG1 4.25Å; I175-V231 HydrophobicContact CB-CG2 4.28Å; I175-V231 HydrophobicContact CD1-CG2 4.24Å; I175-V231 HydrophobicContact CG2-CG1 4.38Å; I175-V231 WeakPolarHBondContact O-CA 3.4Å; I175-V232 PolarHBondContact O-N 2.98Å
176V98.9Very high97Very high0 Ų041.9 Ų41.90%020%0.203CC..EExtended strand (participates in β ladder)trans-112.3116.7-179.6-176.60000108.8L127 I128 N129 L178 V232 V234 T273 V277L127-V176 PolarHBondContact O-N 3.22Å; I128-V176 HydrophobicContact CD1-CB 3.78Å; I128-V176 HydrophobicContact CD1-CG2 3.68Å; N129-V176 WeakPolarHBondContact CB-O 3.37Å; N129-V176 PolarHBondContact N-O 2.81Å; V176-L178 HydrophobicContact CG1-CD2 4.25Å; V176-V232 HydrophobicContact CB-CG2 4.43Å; V176-V232 HydrophobicContact CG1-CG2 4.28Å; V176-V232 HydrophobicContact CG2-CG2 4.02Å; V176-V234 HydrophobicContact CG1-CB 4.33Å; V176-V234 HydrophobicContact CG1-CG2 3.68Å; V176-T273 HydrophobicContact CG1-CG2 4.23Å; V176-V277 HydrophobicContact CG2-CG2 4.39Å
177I98.9Very high97Very high0 Ų051 Ų510%024%0.238CC..EExtended strand (participates in β ladder)trans-108.8116.8-176.5-50.3-178000110.2N129 T156 I175 S179 N213 H216 A217 V231 V232 S233 V234N129-I177 HydrophobicContact CB-CG1 4.44Å; N129-I177 HydrophobicContact CB-CG2 4.46Å; T156-I177 HydrophobicContact CG2-CG2 4.25Å; I175-I177 HydrophobicContact CG2-CD1 4.32Å; I175-I177 HydrophobicContact CG2-CG1 4Å; I177-S179 PolarHBondContact O-N 3.23Å; I177-N213 HydrophobicContact CG2-CB 3.72Å; I177-H216 HydrophobicContact CD1-CB 4.46Å; I177-H216 WeakPolarHBondContact CD1-ND1 3.36Å; I177-A217 HydrophobicContact CD1-CB 4.17Å; I177-V231 HydrophobicContact CD1-CG1 4.48Å; I177-V232 PolarHBondContact N-O 3.21Å; I177-S233 CarbonylContact O-C 3.56Å; I177-S233 WeakPolarHBondContact O-CA 3.41Å; I177-V234 PolarHBondContact O-N 3.42Å
178L98.5Very high96.9Very high5 Ų552 Ų523%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-75.9117.1-178.4-83.4-65.7000111.4I128 N129 N130 V176 K210 N213 V234 P236I128-L178 HydrophobicContact CG2-CD2 4.11Å; N129-L178 WeakPolarHBondContact O-CB 3.3Å; N129-L178 PolarHBondContact O-N 2.92Å; N130-L178 HydrophobicContact CB-CD2 3.98Å; N130-L178 HydrophobicContact CB-CG 4.22Å; V176-L178 HydrophobicContact CG1-CD2 4.25Å; L178-K210 PolarHBondContact O-NZ 2.95Å; L178-N213 PolarHBondContact O-ND2 3.16Å; L178-V234 HydrophobicContact CD1-CB 3.94Å; L178-V234 HydrophobicContact CD1-CG1 3.72Å; L178-P236 HydrophobicContact CD1-CB 4.31Å; L178-P236 HydrophobicContact CD1-CG 4.23Å
179S97.5Very high96.8Very high3 Ų348.6 Ų48.62%0.02123%0.229CC..  trans-108.6-158.2171.1-171.50000110.9I177 K210 V214 V234 P236I177-S179 PolarHBondContact O-N 3.23Å; S179-K210 PolarHBondContact OG-O 3.42Å; S179-V214 WeakPolarHBondContact OG-CG2 3.39Å; S179-V234 CarbonylContact C-O 3.51Å; S179-V234 WeakPolarHBondContact CA-O 3.35Å; S179-V234 PolarHBondContact N-O 3.37Å; S179-P236 WeakPolarHBondContact O-CD 3.46Å
180S93.9Very high96.8Very high13 Ų1348.3 Ų48.39%0.09123%0.231CC..  trans-154.6160178.7179.30000110.3S182 H183 H235S180-S182 PolarHBondContact O-N 2.97Å; S180-S182 VanDerWaalsContact O-N 3.13Å; S180-S182 PolarHBondContact OG-N 3.19Å; S180-S182 VanDerWaalsContact OG-N 3.15Å; S180-S182 PolarHBondContact OG-OG 3.05Å; S180-H183 WeakPolarHBondContact O-CB 3.43Å; S180-H183 PolarHBondContact O-N 3.27Å; S180-H183 PolarHBondContact O-ND1 3.35Å; S180-H235 WeakPolarHBondContact CA-ND1 3.49Å
181V92.5Very high96.7Very high77 Ų7752 Ų5247%0.46726%0.255SS..G310 helixtrans-55.2-23163.469.40000112.1H183 Y184 H235V181-H183 PolarHBondContact O-N 3.17Å; V181-H183 VanDerWaalsContact O-N 3.08Å; V181-Y184 HydrophobicContact CG2-CD2 3.87Å; V181-Y184 HydrophobicContact CG2-CE2 4.1Å; V181-Y184 VanDerWaalsContact O-CD2 3.24Å; V181-Y184 WeakPolarHBondContact O-CD2 3.31Å; V181-Y184 PolarHBondContact O-N 3.36Å; V181-H235 PolarHBondContact N-ND1 3.28Å
182S92.6Very high96.6Very high31 Ų3151.4 Ų51.422%0.21725%0.249CC..G310 helixtrans-57.7-21.5172.9-53.80000113.7S180 Y184 R185 G186 C207S180-S182 PolarHBondContact O-N 2.97Å; S180-S182 VanDerWaalsContact O-N 3.13Å; S180-S182 PolarHBondContact OG-N 3.19Å; S180-S182 VanDerWaalsContact OG-N 3.15Å; S180-S182 PolarHBondContact OG-OG 3.05Å; S182-Y184 PolarHBondContact O-N 3.29Å; S182-R185 PolarHBondContact O-N 2.84Å; S182-G186 PolarHBondContact O-N 3.3Å; S182-C207 WeakPolarHBondContact O-CB 3.49Å
183H96.9Very high96.6Very high0 Ų046.5 Ų46.50%022%0.217CC..G310 helixtrans-59.6-30.8178.787-88.2000112.9S180 V181 R185 G186 K210 L211 V214 Y287 S297S180-H183 WeakPolarHBondContact O-CB 3.43Å; S180-H183 PolarHBondContact O-N 3.27Å; S180-H183 PolarHBondContact O-ND1 3.35Å; V181-H183 PolarHBondContact O-N 3.17Å; V181-H183 VanDerWaalsContact O-N 3.08Å; H183-R185 PolarHBondContact O-N 3.05Å; H183-R185 VanDerWaalsContact O-N 3.16Å; H183-G186 PolarHBondContact O-N 2.89Å; H183-K210 HydrophobicContact CB-CB 4.23Å; H183-L211 HydrophobicContact CB-CB 4.36Å; H183-V214 HydrophobicContact CB-CG2 4.07Å; H183-Y287 AromaticContact CE1-CE1 3.6Å; H183-Y287 AromaticContact CE1-CE2 3.85Å; H183-Y287 AromaticContact CE1-CZ 3.39Å; H183-Y287 PolarHBondContact CE1-OH 3.42Å; H183-Y287 AromaticContact ND1-CE2 3.99Å; H183-Y287 AromaticContact ND1-CZ 3.76Å; H183-S297 PolarHBondContact NE2-N 3.3Å; H183-S297 VanDerWaalsContact NE2-N 3.18Å
184Y95.6Very high96.6Very high103 Ų10347.8 Ų47.840%0.40422%0.223SC..G310 helixtrans-61.9-22.5176.8-68.7-73.9000113.3V181 S182 Y287 E295V181-Y184 HydrophobicContact CG2-CD2 3.87Å; V181-Y184 HydrophobicContact CG2-CE2 4.1Å; V181-Y184 VanDerWaalsContact O-CD2 3.24Å; V181-Y184 WeakPolarHBondContact O-CD2 3.31Å; V181-Y184 PolarHBondContact O-N 3.36Å; S182-Y184 PolarHBondContact O-N 3.29Å; Y184-Y287 HydrophobicContact CE2-CE1 4.37Å; Y184-E295 WeakPolarHBondContact CE1-O 3.5Å; Y184-E295 PolarHBondContact OH-O 3.34Å
185R95.3Very high96.4Very high210 Ų21046.4 Ų46.479%0.79222%0.218SC*.G310 helixtrans-100.7-0176.5-61.3-179.467.6171.61112.5S182 H183 C207S182-R185 PolarHBondContact O-N 2.84Å; H183-R185 PolarHBondContact O-N 3.05Å; H183-R185 VanDerWaalsContact O-N 3.16Å; R185-C207 HydrophobicContact CB-CB 4.38Å
186G96.5Very high96.2Very high13 Ų1351.6 Ų51.613%0.13424%0.243CC..  trans-72.2158.8179.200000112.1S182 H183 C207S182-G186 PolarHBondContact O-N 3.3Å; H183-G186 PolarHBondContact O-N 2.89Å; G186-C207 WeakPolarHBondContact CA-O 3.32Å
187R96.9Very high96Very high192 Ų19254.8 Ų54.873%0.72526%0.263SS*.  trans-135.4147.1172.3-61.6-176.5-177.5-172.1-0.6109.8I189 S208R187-I189 PolarHBondContact O-N 2.78Å; R187-S208 PolarHBondContact N-OG 3.47Å; R187-S208 WeakPolarHBondContact O-CB 3.19Å; R187-S208 PolarHBondContact O-OG 3.13Å
188L97.4Very high95.8Very high22 Ų2265 Ų6512%0.11531%0.307CS..  trans-73.7110.4165.4-61.6-179.9000108.1K190 L193 L211 M215 I299 E305 W308 F309L188-K190 PolarHBondContact O-N 3.16Å; L188-L193 HydrophobicContact CD2-CD2 4.25Å; L188-L211 HydrophobicContact CD2-CD2 4.35Å; L188-L211 HydrophobicContact CG-CD2 4.47Å; L188-M215 HydrophobicContact CD1-CE 3.93Å; L188-M215 HydrophobicContact CD2-CE 4.42Å; L188-M215 HydrophobicContact CD2-CG 4.43Å; L188-I299 HydrophobicContact CD1-CD1 3.86Å; L188-I299 HydrophobicContact CD1-CG1 4.41Å; L188-I299 HydrophobicContact CG-CD1 3.9Å; L188-E305 HydrophobicContact CD1-CB 4.06Å; L188-E305 WeakPolarHBondContact CD1-OE2 3.43Å; L188-W308 HydrophobicContact CB-CZ3 4.06Å; L188-W308 HydrophobicContact CD1-CE3 4.22Å; L188-W308 HydrophobicContact CD1-CZ3 4.14Å; L188-F309 HydrophobicContact CD2-CD2 3.83Å; L188-F309 HydrophobicContact CD2-CE2 4.44Å
189I96.4Very high95.6Very high23 Ų2370 Ų7012%0.11833%0.331CS..  trans-82.2109.1-178.9-59.6154.6000107.6R187 L193 Q194 V195R187-I189 PolarHBondContact O-N 2.78Å; I189-L193 WeakPolarHBondContact O-CA 3.44Å; I189-L193 PolarHBondContact O-N 2.74Å; I189-Q194 WeakPolarHBondContact CG2-O 3.12Å; I189-V195 HydrophobicContact CD1-CG1 3.57Å; I189-V195 HydrophobicContact CG1-CG1 4.39Å
190K95.9Very high95.5Very high113 Ų11371.7 Ų71.749%0.49134%0.337SS..THydrogen-bonded Turntrans-89.1148.3-179.8-60.6-166.5173.3173.90110.6L188 E305 W308L188-K190 PolarHBondContact O-N 3.16Å; K190-E305 WeakPolarHBondContact CE-OE2 3.37Å; K190-E305 VanDerWaalsContact NZ-CD 3.32Å; K190-E305 IonicContact NZ-OE1 2.94Å; K190-E305 PolarHBondContact NZ-OE1 2.79Å; K190-E305 IonicContact NZ-OE2 2.86Å; K190-E305 PolarHBondContact NZ-OE2 3.31Å; K190-W308 HydrophobicContact CB-CH2 4.39Å; K190-W308 HydrophobicContact CB-CZ2 4.35Å; K190-W308 HydrophobicContact CD-CH2 4.21Å; K190-W308 HydrophobicContact CD-CZ2 4.09Å; K190-W308 HydrophobicContact CG-CH2 3.6Å; K190-W308 HydrophobicContact CG-CZ2 3.78Å; K190-W308 HydrophobicContact CG-CZ3 4.18Å
191P95.8Very high95.5Very high82 Ų8275.1 Ų75.153%0.53235%0.354SS..THydrogen-bonded Turncis-86.4-20.6-132.6-31.6000114.3W308 K312P191-W308 VanDerWaalsContact O-CZ2 3.31Å; P191-W308 WeakPolarHBondContact O-CZ2 3.25Å; P191-K312 WeakPolarHBondContact O-CE 3.38Å; P191-K312 WeakPolarHBondContact O-CG 3.39Å
192D95.6Very high95.5Very high53 Ų5372.4 Ų72.428%0.28334%0.337SS..THydrogen-bonded Turntrans-10618.5-162.2-56.8-47.9000115.7Q194 K312 L316D192-Q194 WeakPolarHBondContact O-CG 3.32Å; D192-Q194 PolarHBondContact O-N 2.94Å; D192-Q194 PolarHBondContact O-NE2 3.35Å; D192-Q194 VanDerWaalsContact O-NE2 3.12Å; D192-K312 WeakPolarHBondContact OD1-CE 3.32Å; D192-K312 IonicContact OD1-NZ 2.9Å; D192-K312 PolarHBondContact OD1-NZ 3.27Å; D192-L316 HydrophobicContact CB-CD2 4.45Å; D192-L316 WeakPolarHBondContact O-CD1 2.96Å
193L97.7Very high95.4Very high2 Ų273.4 Ų73.41%0.0135%0.346CS..SBendtrans61.410.2-177.3-59.2172.8000114.4M149 F154 L188 I189 W308 F309 K312 T313M149-L193 HydrophobicContact CE-CB 3.78Å; M149-L193 WeakPolarHBondContact CE-O 3.42Å; F154-L193 HydrophobicContact CE1-CD1 4.28Å; F154-L193 HydrophobicContact CZ-CB 4.04Å; F154-L193 HydrophobicContact CZ-CD1 4.5Å; L188-L193 HydrophobicContact CD2-CD2 4.25Å; I189-L193 WeakPolarHBondContact O-CA 3.44Å; I189-L193 PolarHBondContact O-N 2.74Å; L193-W308 HydrophobicContact CD2-CH2 3.6Å; L193-W308 HydrophobicContact CD2-CZ3 3.51Å; L193-W308 HydrophobicContact CG-CH2 4.22Å; L193-W308 HydrophobicContact CG-CZ3 4.48Å; L193-F309 HydrophobicContact CD1-CD2 3.88Å; L193-F309 HydrophobicContact CD1-CE2 4.08Å; L193-F309 HydrophobicContact CD2-CD2 3.83Å; L193-F309 HydrophobicContact CD2-CE2 4.41Å; L193-K312 HydrophobicContact CD1-CG 4.45Å; L193-K312 HydrophobicContact CG-CG 4.42Å; L193-T313 WeakPolarHBondContact CD1-OG1 3.43Å
194Q97.5Very high95.3Very high29 Ų2977.5 Ų77.514%0.13636%0.364CS..SBendtrans-138149.2-171.4-66.3167.694.700111.7E146 M149 F154 I189 D192E146-Q194 HydrophobicContact CB-CG 4.48Å; M149-Q194 HydrophobicContact CB-CG 4.17Å; M149-Q194 HydrophobicContact CG-CG 3.94Å; F154-Q194 VanDerWaalsContact CE2-CD 3.43Å; F154-Q194 HydrophobicContact CE2-CG 3.68Å; F154-Q194 HydrophobicContact CZ-CG 4.11Å; I189-Q194 WeakPolarHBondContact CG2-O 3.12Å; D192-Q194 WeakPolarHBondContact O-CG 3.32Å; D192-Q194 PolarHBondContact O-N 2.94Å; D192-Q194 PolarHBondContact O-NE2 3.35Å; D192-Q194 VanDerWaalsContact O-NE2 3.12Å
195V95.5Very high95.3Very high3 Ų372.8 Ų72.82%0.01835%0.346CS..  trans-80.1151.2173.3-61.70000111.2I189 E199 Y200 K204 V205I189-V195 HydrophobicContact CD1-CG1 3.57Å; I189-V195 HydrophobicContact CG1-CG1 4.39Å; V195-E199 HydrophobicContact CB-CB 4.41Å; V195-Y200 HydrophobicContact CG2-CD2 3.87Å; V195-K204 HydrophobicContact CG1-CD 4.22Å; V195-V205 HydrophobicContact CB-CG2 4.44Å; V195-V205 HydrophobicContact CG1-CG2 4.04Å; V195-V205 HydrophobicContact CG2-CG2 3.49Å; V195-V205 VanDerWaalsContact CG2-CG2 3.49Å
196Q94.3Very high95.3Very high110 Ų11064.4 Ų64.451%0.51432%0.315SS..  trans-75.5156.6166.6-64.6-59.2-29.100110.9K198 E199 Y200Q196-K198 PolarHBondContact O-N 3.28Å; Q196-K198 VanDerWaalsContact O-N 3.13Å; Q196-E199 PolarHBondContact O-N 3.4Å; Q196-Y200 PolarHBondContact O-N 2.98Å
197P95.2Very high95.3Very high66 Ų6664.4 Ų64.443%0.42931%0.313SS..G310 helixtrans-52.3-38.8-178-24.929.3000114.2Y138 E199 Y200Y138-P197 HydrophobicContact CD1-CB 4.04Å; Y138-P197 HydrophobicContact CD1-CG 4.12Å; Y138-P197 HydrophobicContact CD2-CB 4.28Å; Y138-P197 HydrophobicContact CD2-CG 4.49Å; Y138-P197 HydrophobicContact CE1-CB 4.11Å; Y138-P197 HydrophobicContact CE1-CG 3.67Å; Y138-P197 HydrophobicContact CE2-CB 4.34Å; Y138-P197 HydrophobicContact CE2-CG 4.08Å; Y138-P197 HydrophobicContact CG-CB 4.13Å; P197-E199 VanDerWaalsContact C-N 3.27Å; P197-E199 PolarHBondContact O-N 2.87Å; P197-Y200 WeakPolarHBondContact O-CB 3.38Å; P197-Y200 PolarHBondContact O-N 2.86Å
198K94.9Very high95.4Very high214 Ų21455.6 Ų55.693%0.9328%0.28SS*.G310 helixtrans-69.7-21-179.5-65-177179.1179.70113.9Q196Q196-K198 PolarHBondContact O-N 3.28Å; Q196-K198 VanDerWaalsContact O-N 3.13Å
199E93.2Very high95.4Very high110 Ų11054.5 Ų54.551%0.51428%0.275SS..G310 helixtrans-103.79.6-177.5-56.3-175146.200112.4V195 Q196 P197 N201V195-E199 HydrophobicContact CB-CB 4.41Å; Q196-E199 PolarHBondContact O-N 3.4Å; P197-E199 VanDerWaalsContact C-N 3.27Å; P197-E199 PolarHBondContact O-N 2.87Å; E199-N201 PolarHBondContact O-N 3.5Å
200Y95.7Very high95.5Very high40 Ų4053.8 Ų53.816%0.15727%0.271CS..  trans-66.8129.2-172.1-175.8-98.1000111.7V135 K137 Y138 E146 V195 Q196 P197 V205V135-Y200 WeakPolarHBondContact CG2-OH 3.44Å; V135-Y200 PolarHBondContact O-OH 3.35Å; K137-Y200 VanDerWaalsContact C-CE1 3.47Å; K137-Y200 PolarHBondContact O-OH 2.88Å; Y138-Y200 AromaticContact CD2-CD2 3.58Å; Y138-Y200 HydrophobicContact CD2-CD2 3.58Å; Y138-Y200 HydrophobicContact CD2-CE2 4.28Å; Y138-Y200 HydrophobicContact CD2-CG 4.02Å; Y138-Y200 HydrophobicContact CG-CD2 4.24Å; Y138-Y200 HydrophobicContact CG-CG 4.4Å; E146-Y200 HydrophobicContact CG-CD2 4.44Å; E146-Y200 HydrophobicContact CG-CE2 4.15Å; V195-Y200 HydrophobicContact CG2-CD2 3.87Å; Q196-Y200 PolarHBondContact O-N 2.98Å; P197-Y200 WeakPolarHBondContact O-CB 3.38Å; P197-Y200 PolarHBondContact O-N 2.86Å; Y200-V205 HydrophobicContact CD2-CG2 3.95Å; Y200-V205 HydrophobicContact CE2-CB 4.45Å; Y200-V205 HydrophobicContact CE2-CG2 3.89Å
201N93.8Very high95.6Very high85 Ų8548.4 Ų48.446%0.45525%0.247SC..  trans-146.4120.1171.6175.4-85.2000107.9E199 A203 K204 V205E199-N201 PolarHBondContact O-N 3.5Å; N201-A203 VanDerWaalsContact C-N 3.32Å; N201-A203 PolarHBondContact O-N 3.35Å; N201-A203 PolarHBondContact OD1-N 3.36Å; N201-K204 HydrophobicContact CB-CB 3.9Å; N201-K204 WeakPolarHBondContact O-CB 3.47Å; N201-K204 PolarHBondContact O-N 2.82Å; N201-K204 VanDerWaalsContact O-N 3.17Å; N201-K204 PolarHBondContact OD1-N 2.92Å; N201-V205 WeakPolarHBondContact O-CG2 3.43Å; N201-V205 PolarHBondContact O-N 2.91Å
202E92.6Very high95.8Very high20 Ų2044.5 Ų44.59%0.09322%0.222CC..Hα-helixtrans-50.8-50-175.9172.7175.3-177.900112.1A134 V135 S136 K204 V205 Y206 V247A134-E202 HydrophobicContact CB-CG 4.36Å; V135-E202 VanDerWaalsContact O-CG 3.25Å; V135-E202 WeakPolarHBondContact O-CG 3.45Å; S136-E202 WeakPolarHBondContact CA-OE2 3.21Å; S136-E202 WeakPolarHBondContact CB-OE2 3.34Å; E202-K204 PolarHBondContact O-N 2.92Å; E202-V205 PolarHBondContact O-N 2.68Å; E202-Y206 VanDerWaalsContact O-CB 3.29Å; E202-Y206 WeakPolarHBondContact O-CB 3.46Å; E202-Y206 PolarHBondContact O-N 2.75Å; E202-V247 WeakPolarHBondContact OE1-CG2 3.46Å
203A90.5Very high95.9Very high51 Ų5142 Ų4242%0.42121%0.209SC..Hα-helixtrans-64.9-43.4-178.200000112.2N201 C207N201-A203 VanDerWaalsContact C-N 3.32Å; N201-A203 PolarHBondContact O-N 3.35Å; N201-A203 PolarHBondContact OD1-N 3.36Å; A203-C207 WeakPolarHBondContact O-CB 3.2Å; A203-C207 PolarHBondContact O-N 3.36Å; A203-C207 PolarHBondContact O-SG 2.93Å
204K94.4Very high96Very high86 Ų8642 Ų4237%0.37421%0.208SC..Hα-helixtrans-57.7-52.2176.3178.6-175173.1-172.20110.6V195 N201 E202 C207 S208V195-K204 HydrophobicContact CG1-CD 4.22Å; N201-K204 HydrophobicContact CB-CB 3.9Å; N201-K204 WeakPolarHBondContact O-CB 3.47Å; N201-K204 PolarHBondContact O-N 2.82Å; N201-K204 VanDerWaalsContact O-N 3.17Å; N201-K204 PolarHBondContact OD1-N 2.92Å; E202-K204 PolarHBondContact O-N 2.92Å; K204-C207 PolarHBondContact O-N 2.83Å; K204-S208 PolarHBondContact O-N 2.9Å; K204-S208 PolarHBondContact O-OG 3.43Å
205V96.8Very high96Very high4 Ų440.6 Ų40.62%0.02420%0.202CC..Hα-helixtrans-63.7-45.9-178173.40000110.9E146 T148 V195 Y200 N201 E202 C207 S208 S209E146-V205 HydrophobicContact CG-CG1 4.48Å; E146-V205 WeakPolarHBondContact OE2-CG1 3.39Å; T148-V205 HydrophobicContact CG2-CG1 3.94Å; V195-V205 HydrophobicContact CB-CG2 4.44Å; V195-V205 HydrophobicContact CG1-CG2 4.04Å; V195-V205 HydrophobicContact CG2-CG2 3.49Å; V195-V205 VanDerWaalsContact CG2-CG2 3.49Å; Y200-V205 HydrophobicContact CD2-CG2 3.95Å; Y200-V205 HydrophobicContact CE2-CB 4.45Å; Y200-V205 HydrophobicContact CE2-CG2 3.89Å; N201-V205 WeakPolarHBondContact O-CG2 3.43Å; N201-V205 PolarHBondContact O-N 2.91Å; E202-V205 PolarHBondContact O-N 2.68Å; V205-C207 PolarHBondContact O-N 3.49Å; V205-S208 PolarHBondContact O-N 2.9Å; V205-S209 PolarHBondContact O-N 3.05Å
206Y95.4Very high96.2Very high34 Ų3440.4 Ų40.413%0.13320%0.201CC..Hα-helixtrans-59.4-47.6177.3-176.6-97.8000111.7A134 T148 E202 S208 S209 K210 I243A134-Y206 HydrophobicContact CB-CD2 3.74Å; A134-Y206 HydrophobicContact CB-CE2 4.27Å; A134-Y206 HydrophobicContact CB-CG 4.39Å; T148-Y206 HydrophobicContact CG2-CD2 4.38Å; E202-Y206 VanDerWaalsContact O-CB 3.29Å; E202-Y206 WeakPolarHBondContact O-CB 3.46Å; E202-Y206 PolarHBondContact O-N 2.75Å; Y206-S208 VanDerWaalsContact C-N 3.34Å; Y206-S208 PolarHBondContact O-N 2.93Å; Y206-S209 PolarHBondContact O-N 3.14Å; Y206-S209 PolarHBondContact O-OG 3.38Å; Y206-K210 HydrophobicContact CD1-CG 4.23Å; Y206-K210 HydrophobicContact CE1-CG 3.81Å; Y206-K210 HydrophobicContact CE2-CG 4.3Å; Y206-K210 VanDerWaalsContact CZ-CE 3.5Å; Y206-K210 WeakPolarHBondContact O-CG 3.41Å; Y206-K210 PolarHBondContact O-N 3.04Å; Y206-K210 VanDerWaalsContact OH-CE 3.32Å; Y206-K210 WeakPolarHBondContact OH-CE 3.49Å; Y206-I243 HydrophobicContact CE2-CD1 3.91Å; Y206-I243 WeakPolarHBondContact OH-CD1 3.37Å
207C95.8Very high96.4Very high14 Ų1435.2 Ų35.210%0.09518%0.177CC..Hα-helixtrans-59.1-44.6177.2-66.40000111.8S182 R185 G186 A203 K204 V205 K210 L211S182-C207 WeakPolarHBondContact O-CB 3.49Å; R185-C207 HydrophobicContact CB-CB 4.38Å; G186-C207 WeakPolarHBondContact CA-O 3.32Å; A203-C207 WeakPolarHBondContact O-CB 3.2Å; A203-C207 PolarHBondContact O-N 3.36Å; A203-C207 PolarHBondContact O-SG 2.93Å; K204-C207 PolarHBondContact O-N 2.83Å; V205-C207 PolarHBondContact O-N 3.49Å; C207-K210 PolarHBondContact O-N 3.41Å; C207-L211 PolarHBondContact O-N 2.93Å
208S98.1Very high96.6Very high6 Ų633 Ų334%0.04216%0.162CC..Hα-helixtrans-61.5-42.1175.3-75.30000112.6R187 K204 V205 Y206 K210 L211 A212R187-S208 PolarHBondContact N-OG 3.47Å; R187-S208 WeakPolarHBondContact O-CB 3.19Å; R187-S208 PolarHBondContact O-OG 3.13Å; K204-S208 PolarHBondContact O-N 2.9Å; K204-S208 PolarHBondContact O-OG 3.43Å; V205-S208 PolarHBondContact O-N 2.9Å; Y206-S208 VanDerWaalsContact C-N 3.34Å; Y206-S208 PolarHBondContact O-N 2.93Å; S208-K210 VanDerWaalsContact C-N 3.33Å; S208-K210 PolarHBondContact O-N 3.09Å; S208-L211 WeakPolarHBondContact O-CB 3.47Å; S208-L211 PolarHBondContact O-N 3.32Å; S208-A212 PolarHBondContact O-N 3.49Å
209S98.4Very high96.7Very high0 Ų023.1 Ų23.10%012%0.119CC..Hα-helixtrans-64.2-36.8177.178.20000112.7N152 V205 Y206 A212 N213N152-S209 PolarHBondContact ND2-OG 3.35Å; V205-S209 PolarHBondContact O-N 3.05Å; Y206-S209 PolarHBondContact O-N 3.14Å; Y206-S209 PolarHBondContact O-OG 3.38Å; S209-A212 WeakPolarHBondContact O-CB 3.16Å; S209-A212 PolarHBondContact O-N 3.12Å; S209-N213 PolarHBondContact O-N 3.26Å; S209-N213 VanDerWaalsContact O-N 3.16Å; S209-N213 PolarHBondContact O-OD1 3.19Å
210K98.1Very high97Very high7 Ų717.9 Ų17.93%0.039%0.094CC..Hα-helixtrans-75.3-31.1177.4-63.1-54-174.5-1760112.3L178 S179 H183 Y206 C207 S208 N213 V214L178-K210 PolarHBondContact O-NZ 2.95Å; S179-K210 PolarHBondContact OG-O 3.42Å; H183-K210 HydrophobicContact CB-CB 4.23Å; Y206-K210 HydrophobicContact CD1-CG 4.23Å; Y206-K210 HydrophobicContact CE1-CG 3.81Å; Y206-K210 HydrophobicContact CE2-CG 4.3Å; Y206-K210 VanDerWaalsContact CZ-CE 3.5Å; Y206-K210 WeakPolarHBondContact O-CG 3.41Å; Y206-K210 PolarHBondContact O-N 3.04Å; Y206-K210 VanDerWaalsContact OH-CE 3.32Å; Y206-K210 WeakPolarHBondContact OH-CE 3.49Å; C207-K210 PolarHBondContact O-N 3.41Å; S208-K210 VanDerWaalsContact C-N 3.33Å; S208-K210 PolarHBondContact O-N 3.09Å; K210-N213 PolarHBondContact O-N 2.97Å; K210-V214 PolarHBondContact O-N 3.23Å
211L98.6Very high97.1Very high0 Ų016.7 Ų16.70%09%0.092CC..Hα-helixtrans-61.8-47.3166.7175.162.4000111.6H183 L188 C207 S208 N213 V214 M215 S297 I299 V300H183-L211 HydrophobicContact CB-CB 4.36Å; L188-L211 HydrophobicContact CD2-CD2 4.35Å; L188-L211 HydrophobicContact CG-CD2 4.47Å; C207-L211 PolarHBondContact O-N 2.93Å; S208-L211 WeakPolarHBondContact O-CB 3.47Å; S208-L211 PolarHBondContact O-N 3.32Å; L211-N213 PolarHBondContact O-N 2.8Å; L211-V214 PolarHBondContact O-N 3.01Å; L211-M215 HydrophobicContact CD1-CG 4.12Å; L211-M215 HydrophobicContact CG-CG 4.19Å; L211-M215 WeakPolarHBondContact O-CG 3.03Å; L211-M215 PolarHBondContact O-N 3.17Å; L211-S297 WeakPolarHBondContact CD1-OG 3.48Å; L211-I299 HydrophobicContact CD1-CG2 3.75Å; L211-I299 HydrophobicContact CD2-CG2 3.94Å; L211-I299 HydrophobicContact CG-CG2 4.46Å; L211-V300 HydrophobicContact CD1-CG2 3.65Å
212A98.7Very high97.3Very high0 Ų016.6 Ų16.60%09%0.089CC..Hα-helixtrans-55.8-39.5177.700000112.4M149 H153 S208 S209 V214 M215 H216 F309M149-A212 HydrophobicContact CE-CB 3.73Å; M149-A212 HydrophobicContact SD-CB 4.42Å; H153-A212 HydrophobicContact CB-CB 3.97Å; S208-A212 PolarHBondContact O-N 3.49Å; S209-A212 WeakPolarHBondContact O-CB 3.16Å; S209-A212 PolarHBondContact O-N 3.12Å; A212-V214 VanDerWaalsContact C-N 3.34Å; A212-V214 PolarHBondContact O-N 3Å; A212-M215 WeakPolarHBondContact O-CB 3.24Å; A212-M215 PolarHBondContact O-N 2.79Å; A212-H216 VanDerWaalsContact O-CB 3.27Å; A212-H216 WeakPolarHBondContact O-CB 3.42Å; A212-H216 PolarHBondContact O-N 3.24Å; A212-F309 HydrophobicContact CB-CE2 3.59Å; A212-F309 HydrophobicContact CB-CZ 3.79Å; A212-F309 VanDerWaalsContact O-CZ 3.28Å; A212-F309 WeakPolarHBondContact O-CZ 3.42Å
213N98.8Very high97.5Very high2 Ų219.3 Ų19.31%0.01110%0.098CC..Hα-helixtrans-62.3-36.6174.9-74.18.7000113.8N152 I177 L178 S209 K210 L211 A217N152-N213 PolarHBondContact O-ND2 3.3Å; N152-N213 PolarHBondContact O-OD1 3.1Å; I177-N213 HydrophobicContact CG2-CB 3.72Å; L178-N213 PolarHBondContact O-ND2 3.16Å; S209-N213 PolarHBondContact O-N 3.26Å; S209-N213 VanDerWaalsContact O-N 3.16Å; S209-N213 PolarHBondContact O-OD1 3.19Å; K210-N213 PolarHBondContact O-N 2.97Å; L211-N213 PolarHBondContact O-N 2.8Å; N213-A217 PolarHBondContact O-N 3.14Å; N213-A217 VanDerWaalsContact O-N 3.13Å
214V98.8Very high97.9Very high0 Ų017.1 Ų17.10%08%0.079CC..Hα-helixtrans-72.5-43.7175.4-172.40000110.6S179 H183 K210 L211 A212 H216 A217 V218 Y287 P296 V300S179-V214 WeakPolarHBondContact OG-CG2 3.39Å; H183-V214 HydrophobicContact CB-CG2 4.07Å; K210-V214 PolarHBondContact O-N 3.23Å; L211-V214 PolarHBondContact O-N 3.01Å; A212-V214 VanDerWaalsContact C-N 3.34Å; A212-V214 PolarHBondContact O-N 3Å; V214-H216 VanDerWaalsContact C-N 3.3Å; V214-H216 PolarHBondContact O-N 3.33Å; V214-A217 PolarHBondContact O-N 3.34Å; V214-V218 WeakPolarHBondContact O-CG2 3.38Å; V214-V218 PolarHBondContact O-N 3.22Å; V214-Y287 HydrophobicContact CG2-CD2 4.28Å; V214-P296 HydrophobicContact CG1-CB 3.81Å; V214-V300 HydrophobicContact CB-CG2 4.15Å; V214-V300 HydrophobicContact CG1-CB 4.46Å; V214-V300 HydrophobicContact CG1-CG1 3.86Å; V214-V300 HydrophobicContact CG1-CG2 3.82Å
215M98.7Very high98Very high0 Ų020.2 Ų20.20%09%0.093CC..Hα-helixtrans-56.7-45.7175.7-66.2-74.1-69.100111.3L188 L211 A212 V218 E219 V300 E305 R306 F309L188-M215 HydrophobicContact CD1-CE 3.93Å; L188-M215 HydrophobicContact CD2-CE 4.42Å; L188-M215 HydrophobicContact CD2-CG 4.43Å; L211-M215 HydrophobicContact CD1-CG 4.12Å; L211-M215 HydrophobicContact CG-CG 4.19Å; L211-M215 WeakPolarHBondContact O-CG 3.03Å; L211-M215 PolarHBondContact O-N 3.17Å; A212-M215 WeakPolarHBondContact O-CB 3.24Å; A212-M215 PolarHBondContact O-N 2.79Å; M215-V218 PolarHBondContact O-N 3.15Å; M215-E219 WeakPolarHBondContact O-CB 3.47Å; M215-E219 PolarHBondContact O-N 3.13Å; M215-V300 HydrophobicContact CG-CG2 4.26Å; M215-V300 VanDerWaalsContact SD-CA 3.53Å; M215-V300 HydrophobicContact SD-CB 4.13Å; M215-V300 HydrophobicContact SD-CG2 3.79Å; M215-E305 HydrophobicContact CE-CB 4.37Å; M215-R306 HydrophobicContact CE-CB 4.11Å; M215-R306 HydrophobicContact CE-CG 3.55Å; M215-R306 HydrophobicContact SD-CG 4.04Å; M215-F309 HydrophobicContact CB-CD1 3.77Å; M215-F309 HydrophobicContact CB-CD2 4.48Å; M215-F309 HydrophobicContact CB-CE1 3.58Å; M215-F309 HydrophobicContact CB-CE2 4.32Å; M215-F309 HydrophobicContact CB-CG 4.19Å; M215-F309 HydrophobicContact CB-CZ 3.84Å; M215-F309 HydrophobicContact CE-CB 4.01Å; M215-F309 HydrophobicContact CE-CG 4.26Å
216H98.8Very high98Very high0 Ų027 Ų270%013%0.129CC..Hα-helixtrans-60.2-48.6176.7179.4-159.7000111.1F157 I177 A212 V214 V218 E219 L220 F309 W310F157-H216 AromaticContact CD2-CD2 3.52Å; F157-H216 AromaticContact CD2-CE1 3.7Å; F157-H216 AromaticContact CD2-CG 3.72Å; F157-H216 AromaticContact CD2-ND1 3.79Å; F157-H216 AromaticContact CD2-NE2 3.54Å; F157-H216 AromaticContact CE2-CD2 3.65Å; F157-H216 AromaticContact CE2-NE2 3.86Å; I177-H216 HydrophobicContact CD1-CB 4.46Å; I177-H216 WeakPolarHBondContact CD1-ND1 3.36Å; A212-H216 VanDerWaalsContact O-CB 3.27Å; A212-H216 WeakPolarHBondContact O-CB 3.42Å; A212-H216 PolarHBondContact O-N 3.24Å; V214-H216 VanDerWaalsContact C-N 3.3Å; V214-H216 PolarHBondContact O-N 3.33Å; H216-V218 VanDerWaalsContact C-N 3.34Å; H216-V218 PolarHBondContact O-N 3.49Å; H216-E219 PolarHBondContact O-N 3.42Å; H216-L220 WeakPolarHBondContact O-CB 3.48Å; H216-L220 PolarHBondContact O-N 2.71Å; H216-F309 HydrophobicContact CB-CE1 4.15Å; H216-F309 HydrophobicContact CB-CZ 4.39Å; H216-W310 AromaticContact CD2-CZ3 3.89Å
217A98.8Very high98.1Very high0 Ų027.2 Ų27.20%014%0.136CC..Hα-helixtrans-59.6-42.6179.400000112.8I177 N213 V214 S221 V231I177-A217 HydrophobicContact CD1-CB 4.17Å; N213-A217 PolarHBondContact O-N 3.14Å; N213-A217 VanDerWaalsContact O-N 3.13Å; V214-A217 PolarHBondContact O-N 3.34Å; A217-S221 VanDerWaalsContact O-CB 3.31Å; A217-S221 WeakPolarHBondContact O-CB 3.49Å; A217-S221 PolarHBondContact O-N 3.08Å; A217-V231 HydrophobicContact CB-CG1 4.12Å; A217-V231 WeakPolarHBondContact O-CG1 3.3Å
218V98.7Very high98.1Very high19 Ų1928.6 Ų28.612%0.11515%0.152CC..Hα-helixtrans-69-51.5179.8176.90000111.2V214 M215 H216 L220 S221 E222 G285 V300V214-V218 WeakPolarHBondContact O-CG2 3.38Å; V214-V218 PolarHBondContact O-N 3.22Å; M215-V218 PolarHBondContact O-N 3.15Å; H216-V218 VanDerWaalsContact C-N 3.34Å; H216-V218 PolarHBondContact O-N 3.49Å; V218-L220 PolarHBondContact O-N 2.98Å; V218-S221 WeakPolarHBondContact O-CB 3.3Å; V218-S221 PolarHBondContact O-N 2.77Å; V218-S221 PolarHBondContact O-OG 2.9Å; V218-E222 PolarHBondContact O-N 2.81Å; V218-E222 VanDerWaalsContact O-N 3.12Å; V218-G285 WeakPolarHBondContact CG2-O 3.33Å; V218-V300 HydrophobicContact CB-CG1 4.18Å; V218-V300 HydrophobicContact CG2-CG1 3.52Å
219E98.5Very high98.2Very high7 Ų728.8 Ų28.83%0.03315%0.152CC..Hα-helixtrans-65.1-41-178.5-17768.8-169.800112M215 H216 S221 E222 R223 R306 W310M215-E219 WeakPolarHBondContact O-CB 3.47Å; M215-E219 PolarHBondContact O-N 3.13Å; H216-E219 PolarHBondContact O-N 3.42Å; E219-S221 VanDerWaalsContact C-N 3.28Å; E219-S221 PolarHBondContact O-N 2.83Å; E219-E222 PolarHBondContact O-N 3Å; E219-R223 WeakPolarHBondContact O-CG 3.33Å; E219-R223 PolarHBondContact O-N 3.02Å; E219-R223 IonicContact OE1-CZ 3.18Å; E219-R223 IonicContact OE1-NE 3.58Å; E219-R223 PolarHBondContact OE1-NE 3.38Å; E219-R223 IonicContact OE1-NH2 3.04Å; E219-R223 PolarHBondContact OE1-NH2 3.26Å; E219-R306 HydrophobicContact CB-CB 4.35Å; E219-R306 VanDerWaalsContact OE2-CB 3.28Å; E219-R306 WeakPolarHBondContact OE2-CB 3.48Å; E219-R306 IonicContact OE2-NE 3.05Å; E219-R306 PolarHBondContact OE2-NE 3.05Å; E219-W310 HydrophobicContact CB-CE3 4Å; E219-W310 HydrophobicContact CG-CB 3.93Å; E219-W310 HydrophobicContact CG-CD2 3.89Å; E219-W310 HydrophobicContact CG-CE3 3.46Å; E219-W310 VanDerWaalsContact CG-CE3 3.46Å; E219-W310 HydrophobicContact CG-CG 4.09Å; E219-W310 HydrophobicContact CG-CZ3 4.3Å
220L98.5Very high98.2Very high0 Ų030.4 Ų30.40%016%0.163CC..Hα-helixtrans-62.6-37.5175.2-175.866.2000111.1T160 L164 I175 H216 V218 E222 R223 L224 V231 W310T160-L220 HydrophobicContact CG2-CD2 3.65Å; L164-L220 HydrophobicContact CD1-CD1 4.28Å; I175-L220 HydrophobicContact CD1-CD2 3.9Å; I175-L220 HydrophobicContact CG2-CD2 4.5Å; H216-L220 WeakPolarHBondContact O-CB 3.48Å; H216-L220 PolarHBondContact O-N 2.71Å; V218-L220 PolarHBondContact O-N 2.98Å; L220-E222 VanDerWaalsContact C-N 3.33Å; L220-E222 PolarHBondContact O-N 2.95Å; L220-R223 PolarHBondContact O-N 2.72Å; L220-L224 HydrophobicContact CD1-CD1 3.78Å; L220-L224 HydrophobicContact CD1-CG 3.95Å; L220-L224 HydrophobicContact CD2-CD1 4.25Å; L220-L224 HydrophobicContact CG-CD1 3.74Å; L220-L224 HydrophobicContact CG-CG 4.19Å; L220-L224 WeakPolarHBondContact O-CB 3.45Å; L220-L224 WeakPolarHBondContact O-CG 3.39Å; L220-L224 PolarHBondContact O-N 3.29Å; L220-V231 HydrophobicContact CB-CG1 4.35Å; L220-V231 HydrophobicContact CD2-CG1 3.99Å; L220-V231 HydrophobicContact CD2-CG2 4.05Å; L220-V231 HydrophobicContact CG-CG1 4.41Å; L220-V231 HydrophobicContact CG-CG2 4.07Å; L220-W310 HydrophobicContact CB-CH2 4.48Å; L220-W310 HydrophobicContact CB-CZ3 4.05Å; L220-W310 HydrophobicContact CD1-CH2 3.75Å; L220-W310 HydrophobicContact CD1-CZ3 4.18Å
221S98.5Very high98.2Very high15 Ų1530.1 Ų30.111%0.10516%0.161CC..Hα-helixtrans-63.3-37.8175.577.80000113A217 V218 E219 K225 S284 G285A217-S221 VanDerWaalsContact O-CB 3.31Å; A217-S221 WeakPolarHBondContact O-CB 3.49Å; A217-S221 PolarHBondContact O-N 3.08Å; V218-S221 WeakPolarHBondContact O-CB 3.3Å; V218-S221 PolarHBondContact O-N 2.77Å; V218-S221 PolarHBondContact O-OG 2.9Å; E219-S221 VanDerWaalsContact C-N 3.28Å; E219-S221 PolarHBondContact O-N 2.83Å; S221-K225 PolarHBondContact O-N 3.44Å; S221-S284 WeakPolarHBondContact CB-OG 3.39Å; S221-G285 WeakPolarHBondContact OG-CA 3.14Å; S221-G285 PolarHBondContact OG-N 3.43Å
222E98.1Very high98.2Very high83 Ų8330.1 Ų30.139%0.38816%0.162SC..Hα-helixtrans-68-37.9176.1-69.6-171.5161.300111V218 E219 L220 K225 R306V218-E222 PolarHBondContact O-N 2.81Å; V218-E222 VanDerWaalsContact O-N 3.12Å; E219-E222 PolarHBondContact O-N 3Å; L220-E222 VanDerWaalsContact C-N 3.33Å; L220-E222 PolarHBondContact O-N 2.95Å; E222-K225 WeakPolarHBondContact O-CB 3.37Å; E222-K225 PolarHBondContact O-N 2.96Å; E222-R306 IonicContact OE1-CZ 2.81Å; E222-R306 IonicContact OE1-NH2 3.6Å; E222-R306 PolarHBondContact OE1-NH2 3.48Å; E222-R306 IonicContact OE2-CZ 3.47Å; E222-R306 IonicContact OE2-NE 3.59Å; E222-R306 IonicContact OE2-NH2 2.72Å; E222-R306 PolarHBondContact OE2-NH2 3.35Å
223R97.6Very high98.2Very high77 Ų7730.1 Ų30.129%0.29116%0.162SC..Hα-helixtrans-72.4-31.7177.9-70172.5178.5-88-5113.5E219 L220 K225 W310 T323E219-R223 WeakPolarHBondContact O-CG 3.33Å; E219-R223 PolarHBondContact O-N 3.02Å; E219-R223 IonicContact OE1-CZ 3.18Å; E219-R223 IonicContact OE1-NE 3.58Å; E219-R223 PolarHBondContact OE1-NE 3.38Å; E219-R223 IonicContact OE1-NH2 3.04Å; E219-R223 PolarHBondContact OE1-NH2 3.26Å; L220-R223 PolarHBondContact O-N 2.72Å; R223-K225 VanDerWaalsContact C-N 3.32Å; R223-W310 VanDerWaalsContact CZ-NE1 3.26Å; R223-W310 VanDerWaalsContact NE-CD2 3.32Å; R223-W310 VanDerWaalsContact NE-CE2 3.29Å; R223-W310 VanDerWaalsContact NH2-CD1 3.26Å; R223-T323 PolarHBondContact NH1-O 2.98Å
224L97.8Very high98.2Very high5 Ų530 Ų303%0.02616%0.161CC..THydrogen-bonded Turntrans-95.216.9178.1-63.9-177.5000112.7L164 I175 L220 D226 S227 I229 V231L164-L224 HydrophobicContact CD2-CD1 3.86Å; L164-L224 HydrophobicContact CD2-CD2 4.43Å; I175-L224 HydrophobicContact CD1-CD1 4.19Å; L220-L224 HydrophobicContact CD1-CD1 3.78Å; L220-L224 HydrophobicContact CD1-CG 3.95Å; L220-L224 HydrophobicContact CD2-CD1 4.25Å; L220-L224 HydrophobicContact CG-CD1 3.74Å; L220-L224 HydrophobicContact CG-CG 4.19Å; L220-L224 WeakPolarHBondContact O-CB 3.45Å; L220-L224 WeakPolarHBondContact O-CG 3.39Å; L220-L224 PolarHBondContact O-N 3.29Å; L224-D226 PolarHBondContact O-N 3.45Å; L224-S227 VanDerWaalsContact O-CB 3.27Å; L224-S227 WeakPolarHBondContact O-CB 3.46Å; L224-S227 PolarHBondContact O-N 3.38Å; L224-S227 VanDerWaalsContact O-N 3.17Å; L224-S227 PolarHBondContact O-OG 3.42Å; L224-I229 HydrophobicContact CD1-CB 4.16Å; L224-I229 HydrophobicContact CD1-CD1 3.94Å; L224-I229 HydrophobicContact CD1-CG2 3.94Å; L224-I229 HydrophobicContact CD2-CD1 4.23Å; L224-V231 HydrophobicContact CD1-CG2 3.95Å
225K97.1Very high98.1Very high151 Ų15131 Ų3166%0.65717%0.165SC*.THydrogen-bonded Turntrans-54.1139.3176.1-165.7-169.2170.6-171.70110.1S221 E222 R223 S227S221-K225 PolarHBondContact O-N 3.44Å; E222-K225 WeakPolarHBondContact O-CB 3.37Å; E222-K225 PolarHBondContact O-N 2.96Å; R223-K225 VanDerWaalsContact C-N 3.32Å; K225-S227 PolarHBondContact O-N 2.88Å
226D96Very high97.8Very high148 Ų14831.8 Ų31.879%0.79117%0.171SC*.THydrogen-bonded Turntrans62.48.1178.3-48.7-42.1000115.1L224L224-D226 PolarHBondContact O-N 3.45Å
227S97Very high97Very high38 Ų3832.8 Ų32.827%0.26618%0.181SC..THydrogen-bonded Turntrans-82.9-7.817770.30000114.5T171 L224 K225 I229T171-S227 WeakPolarHBondContact CG2-O 3.19Å; L224-S227 VanDerWaalsContact O-CB 3.27Å; L224-S227 WeakPolarHBondContact O-CB 3.46Å; L224-S227 PolarHBondContact O-N 3.38Å; L224-S227 VanDerWaalsContact O-N 3.17Å; L224-S227 PolarHBondContact O-OG 3.42Å; K225-S227 PolarHBondContact O-N 2.88Å; S227-I229 PolarHBondContact O-N 3Å; S227-I229 WeakPolarHBondContact OG-CB 3.33Å; S227-I229 WeakPolarHBondContact OG-CG1 3.29Å; S227-I229 PolarHBondContact OG-N 3.43Å
228G97.4Very high95.9Very high43 Ų4335.5 Ų35.544%0.44320%0.204SC..THydrogen-bonded Turntrans76.76.5-170.400000114.5S173S173-G228 PolarHBondContact N-O 3.49Å
229I98.6Very high94.4Very high9 Ų935 Ų355%0.04620%0.2CC..EExtended strand (participates in β ladder)trans-96.5126.6176.6-53.9171.2000109.9I167 K168 T171 S173 I175 L224 S227 V231I167-I229 HydrophobicContact CG2-CD1 3.89Å; I167-I229 HydrophobicContact CG2-CG1 4.15Å; I167-I229 HydrophobicContact CG2-CG2 4.03Å; K168-I229 HydrophobicContact CB-CD1 4.39Å; K168-I229 HydrophobicContact CG-CD1 3.58Å; T171-I229 HydrophobicContact CG2-CG1 3.86Å; S173-I229 WeakPolarHBondContact O-CA 3.49Å; I175-I229 HydrophobicContact CD1-CG2 3.97Å; I175-I229 HydrophobicContact CG1-CG2 4.19Å; L224-I229 HydrophobicContact CD1-CB 4.16Å; L224-I229 HydrophobicContact CD1-CD1 3.94Å; L224-I229 HydrophobicContact CD1-CG2 3.94Å; L224-I229 HydrophobicContact CD2-CD1 4.23Å; S227-I229 PolarHBondContact O-N 3Å; S227-I229 WeakPolarHBondContact OG-CB 3.33Å; S227-I229 WeakPolarHBondContact OG-CG1 3.29Å; S227-I229 PolarHBondContact OG-N 3.43Å; I229-V231 HydrophobicContact CG2-CG2 4.22Å
230T98.8Very high92.8Very high35 Ų3538 Ų3822%0.21521%0.213CC..EExtended strand (participates in β ladder)trans-97.5122.7172.3-57.80000110.4S173 R174 I175 V232 L282S173-T230 PolarHBondContact O-N 3.02Å; R174-T230 CarbonylContact C-O 3.58Å; R174-T230 WeakPolarHBondContact CA-O 3.38Å; I175-T230 PolarHBondContact N-O 3.33Å; T230-V232 HydrophobicContact CG2-CG1 4.13Å; T230-L282 HydrophobicContact CG2-CB 4.04Å; T230-L282 HydrophobicContact CG2-CD1 4.42Å
231V98.9Very high90.9Very high0 Ų039.3 Ų39.30%022%0.221CC..EExtended strand (participates in β ladder)trans-112131.5177-172.10000108.9I175 I177 A217 L220 L224 I229 S284 G285I175-V231 HydrophobicContact CB-CG1 4.25Å; I175-V231 HydrophobicContact CB-CG2 4.28Å; I175-V231 HydrophobicContact CD1-CG2 4.24Å; I175-V231 HydrophobicContact CG2-CG1 4.38Å; I175-V231 WeakPolarHBondContact O-CA 3.4Å; I177-V231 HydrophobicContact CD1-CG1 4.48Å; A217-V231 HydrophobicContact CB-CG1 4.12Å; A217-V231 WeakPolarHBondContact O-CG1 3.3Å; L220-V231 HydrophobicContact CB-CG1 4.35Å; L220-V231 HydrophobicContact CD2-CG1 3.99Å; L220-V231 HydrophobicContact CD2-CG2 4.05Å; L220-V231 HydrophobicContact CG-CG1 4.41Å; L220-V231 HydrophobicContact CG-CG2 4.07Å; L224-V231 HydrophobicContact CD1-CG2 3.95Å; I229-V231 HydrophobicContact CG2-CG2 4.22Å; V231-S284 PolarHBondContact N-OG 3.22Å; V231-S284 CarbonylContact O-C 3.57Å; V231-S284 WeakPolarHBondContact O-CA 3.39Å; V231-G285 PolarHBondContact O-N 2.76Å
232V98.9Very high89.2Confident1 Ų143.9 Ų43.91%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-141.6155.9177.2-63.70000111.1I175 V176 I177 T230 T276 G286 Y288I175-V232 PolarHBondContact O-N 2.98Å; V176-V232 HydrophobicContact CB-CG2 4.43Å; V176-V232 HydrophobicContact CG1-CG2 4.28Å; V176-V232 HydrophobicContact CG2-CG2 4.02Å; I177-V232 PolarHBondContact N-O 3.21Å; T230-V232 HydrophobicContact CG2-CG1 4.13Å; V232-T276 HydrophobicContact CG2-CG2 3.89Å; V232-G286 WeakPolarHBondContact CA-O 3.49Å; V232-Y288 HydrophobicContact CB-CD2 3.96Å; V232-Y288 HydrophobicContact CB-CE2 4.02Å; V232-Y288 HydrophobicContact CG1-CD2 4.01Å; V232-Y288 HydrophobicContact CG1-CE2 3.55Å
233S98.8Very high87.3Confident0 Ų041.6 Ų41.60%023%0.231CC..EExtended strand (participates in β ladder)trans-108.7145.6168.358.90000111I177 G286 Y287 Y288I177-S233 CarbonylContact O-C 3.56Å; I177-S233 WeakPolarHBondContact O-CA 3.41Å; S233-G286 PolarHBondContact N-O 3.39Å; S233-Y287 CarbonylContact O-C 3.44Å; S233-Y287 WeakPolarHBondContact O-CA 3.37Å; S233-Y287 WeakPolarHBondContact OG-CD2 3.38Å; S233-Y288 PolarHBondContact O-N 3.4Å
234V98.6Very high85.6Confident0 Ų040.7 Ų40.70%023%0.229CC..EExtended strand (participates in β ladder)trans-128130.6-173.9168.40000111.3V176 I177 L178 S179 T272 T276 Y288V176-V234 HydrophobicContact CG1-CB 4.33Å; V176-V234 HydrophobicContact CG1-CG2 3.68Å; I177-V234 PolarHBondContact O-N 3.42Å; L178-V234 HydrophobicContact CD1-CB 3.94Å; L178-V234 HydrophobicContact CD1-CG1 3.72Å; S179-V234 CarbonylContact C-O 3.51Å; S179-V234 WeakPolarHBondContact CA-O 3.35Å; S179-V234 PolarHBondContact N-O 3.37Å; V234-T272 HydrophobicContact CG1-CG2 3.68Å; V234-T272 HydrophobicContact CG2-CG2 4.36Å; V234-T276 HydrophobicContact CG2-CG2 3.64Å; V234-Y288 CarbonylContact C-O 3.57Å; V234-Y288 WeakPolarHBondContact CA-O 3.28Å
235H96Very high84Confident19 Ų1946.3 Ų46.39%0.08825%0.25CS..EExtended strand (participates in β ladder)trans-96.6118.6159.8170.243.9000110.5S180 V181 G237 Y287 Y288 S289S180-H235 WeakPolarHBondContact CA-ND1 3.49Å; V181-H235 PolarHBondContact N-ND1 3.28Å; H235-G237 VanDerWaalsContact C-N 3.29Å; H235-G237 WeakPolarHBondContact CE1-CA 3.45Å; H235-G237 PolarHBondContact CE1-N 3.49Å; H235-G237 PolarHBondContact CE1-O 3.42Å; H235-G237 PolarHBondContact ND1-N 3.26Å; H235-G237 WeakPolarHBondContact NE2-CA 3.17Å; H235-G237 PolarHBondContact O-N 3.16Å; H235-Y287 HydrophobicContact CB-CE2 3.84Å; H235-Y287 WeakPolarHBondContact CB-OH 3.24Å; H235-Y288 PolarHBondContact N-O 3.01Å; H235-S289 PolarHBondContact CD2-OG 2.95Å; H235-S289 VanDerWaalsContact CD2-OG 3.22Å
236P91.8Very high82.4Confident18 Ų1842.1 Ų42.112%0.11724%0.235CC..  trans-78.8-5.9-176.231.7-36.8000114.3I32 L178 S179 V239 I264 G269I32-P236 HydrophobicContact CD1-CB 3.69Å; I32-P236 HydrophobicContact CD1-CG 3.78Å; L178-P236 HydrophobicContact CD1-CB 4.31Å; L178-P236 HydrophobicContact CD1-CG 4.23Å; S179-P236 WeakPolarHBondContact O-CD 3.46Å; P236-V239 HydrophobicContact CB-CG2 4.15Å; P236-V239 HydrophobicContact CG-CG2 4.45Å; P236-I264 WeakPolarHBondContact O-CD1 3.4Å; P236-G269 VanDerWaalsContact CB-O 3.24Å; P236-G269 WeakPolarHBondContact CB-O 3.49Å; P236-G269 WeakPolarHBondContact O-CA 3.48Å
237G81.9Confident80.6Confident21 Ų2135.3 Ų35.322%0.21620%0.199CC..  trans94.2179.2-166.300000113.1H235 V239H235-G237 VanDerWaalsContact C-N 3.29Å; H235-G237 WeakPolarHBondContact CE1-CA 3.45Å; H235-G237 PolarHBondContact CE1-N 3.49Å; H235-G237 PolarHBondContact CE1-O 3.42Å; H235-G237 PolarHBondContact ND1-N 3.26Å; H235-G237 WeakPolarHBondContact NE2-CA 3.17Å; H235-G237 PolarHBondContact O-N 3.16Å; G237-V239 PolarHBondContact O-N 3.39Å
238A76.7Confident79.1Confident57 Ų5739.8 Ų39.847%0.47121%0.214SC..SBendtrans-83.892.5173.300000109.3F263 I264A238-F263 CarbonylContact O-C 3.59Å; A238-F263 WeakPolarHBondContact O-CA 3.46Å; A238-F263 WeakPolarHBondContact O-CB 3.43Å; A238-I264 PolarHBondContact O-N 3.18Å
239V67.3Low77.7Confident8 Ų841.8 Ų41.85%0.04821%0.214CC..BIsolated β-bridgetrans-100.8136.9-168.2-168.50000111.8I32 P236 G237 T241 F263 I264 P266I32-V239 HydrophobicContact CD1-CB 4.03Å; I32-V239 HydrophobicContact CD1-CG1 4.18Å; I32-V239 HydrophobicContact CD1-CG2 3.76Å; I32-V239 HydrophobicContact CG1-CB 4.37Å; I32-V239 HydrophobicContact CG1-CG1 3.95Å; I32-V239 HydrophobicContact CG1-CG2 4.25Å; P236-V239 HydrophobicContact CB-CG2 4.15Å; P236-V239 HydrophobicContact CG-CG2 4.45Å; G237-V239 PolarHBondContact O-N 3.39Å; V239-T241 HydrophobicContact CB-CG2 3.89Å; V239-T241 HydrophobicContact CG1-CG2 3.63Å; V239-T241 PolarHBondContact O-N 3.28Å; V239-T241 PolarHBondContact O-OG1 3.13Å; V239-F263 WeakPolarHBondContact O-CD1 3.39Å; V239-I264 CarbonylContact C-O 3.53Å; V239-I264 WeakPolarHBondContact CA-O 3.4Å; V239-I264 HydrophobicContact CB-CG1 4.24Å; V239-I264 HydrophobicContact CG1-CG1 4.38Å; V239-I264 WeakPolarHBondContact CG1-O 3.43Å; V239-I264 HydrophobicContact CG2-CD1 4.03Å; V239-I264 HydrophobicContact CG2-CG1 3.78Å; V239-P266 HydrophobicContact CG1-CG 4.39Å
240K64.1Low76.4Confident71 Ų7148.8 Ų48.831%0.30924%0.244SC..  trans-61.998.8168.8-68.6-178.3176.1168.50108.4W260 F263 I264 P266K240-W260 WeakPolarHBondContact CE-O 3.48Å; K240-F263 HydrophobicContact CB-CB 4.29Å; K240-F263 HydrophobicContact CD-CB 4.39Å; K240-F263 VanDerWaalsContact CE-O 3.25Å; K240-F263 WeakPolarHBondContact CE-O 3.47Å; K240-F263 HydrophobicContact CG-CB 3.33Å; K240-F263 HydrophobicContact CG-CG 4.4Å; K240-I264 PolarHBondContact N-O 3.07Å; K240-P266 WeakPolarHBondContact O-CG 3.47Å
241T58.4Low75Confident26 Ų2650.9 Ų50.916%0.1626%0.26CS..  trans-141.8160.4-179.157.50000110.4I32 V239 I243I32-T241 HydrophobicContact CD1-CG2 4.26Å; I32-T241 HydrophobicContact CG1-CG2 4.19Å; V239-T241 HydrophobicContact CB-CG2 3.89Å; V239-T241 HydrophobicContact CG1-CG2 3.63Å; V239-T241 PolarHBondContact O-N 3.28Å; V239-T241 PolarHBondContact O-OG1 3.13Å; T241-I243 PolarHBondContact O-N 3.46Å; T241-I243 WeakPolarHBondContact OG1-CB 3.33Å; T241-I243 WeakPolarHBondContact OG1-CG2 3.49Å
242E63.2Low73.5Confident111 Ų11153.3 Ų53.352%0.51927%0.273SS..G310 helixtrans-654.3171.8-64-61.5136.300113.7F244 R245E242-F244 PolarHBondContact O-N 2.6Å; E242-F244 VanDerWaalsContact O-N 3.09Å; E242-R245 VanDerWaalsContact O-CB 3.25Å; E242-R245 WeakPolarHBondContact O-CB 3.25Å; E242-R245 VanDerWaalsContact O-CG 3.25Å; E242-R245 WeakPolarHBondContact O-CG 3.41Å; E242-R245 PolarHBondContact O-N 3.17Å
243I58.3Low72Confident36 Ų3658 Ų5819%0.18529%0.293CS..G310 helixtrans-59.8-24.3-177.8-160.1169.8000112.2Y206 T241Y206-I243 HydrophobicContact CE2-CD1 3.91Å; Y206-I243 WeakPolarHBondContact OH-CD1 3.37Å; T241-I243 PolarHBondContact O-N 3.46Å; T241-I243 WeakPolarHBondContact OG1-CB 3.33Å; T241-I243 WeakPolarHBondContact OG1-CG2 3.49Å
244F61.3Low70.5Confident58 Ų5860.6 Ų60.625%0.25431%0.311SS..G310 helixtrans-98.57.4178-57-70.7000113.8E242 D246 V247 I256 F263E242-F244 PolarHBondContact O-N 2.6Å; E242-F244 VanDerWaalsContact O-N 3.09Å; F244-D246 PolarHBondContact O-N 3Å; F244-D246 VanDerWaalsContact O-N 3.11Å; F244-V247 HydrophobicContact CB-CG2 3.71Å; F244-V247 HydrophobicContact CD1-CG2 3.86Å; F244-V247 HydrophobicContact CG-CG2 4.29Å; F244-V247 VanDerWaalsContact O-CB 3.3Å; F244-V247 WeakPolarHBondContact O-CB 3.43Å; F244-V247 VanDerWaalsContact O-CG2 3.28Å; F244-V247 WeakPolarHBondContact O-CG2 3.46Å; F244-V247 PolarHBondContact O-N 3.38Å; F244-I256 HydrophobicContact CB-CD1 4.03Å; F244-I256 HydrophobicContact CD1-CD1 3.52Å; F244-I256 HydrophobicContact CD1-CG1 4.41Å; F244-I256 HydrophobicContact CE1-CD1 4.11Å; F244-I256 HydrophobicContact CG-CD1 3.76Å; F244-F263 HydrophobicContact CD2-CE1 4.23Å; F244-F263 AromaticContact CE2-CE1 3.59Å; F244-F263 HydrophobicContact CE2-CE1 3.59Å; F244-F263 HydrophobicContact CE2-CZ 4.31Å; F244-F263 HydrophobicContact CZ-CE1 4.3Å
245R65.5Low69Low122 Ų12265.1 Ų65.146%0.4633%0.334SS..THydrogen-bonded Turntrans-59.4-29.2-173.473.8-176.5-176.9-160.7-9.2113.3E242E242-R245 VanDerWaalsContact O-CB 3.25Å; E242-R245 WeakPolarHBondContact O-CB 3.25Å; E242-R245 VanDerWaalsContact O-CG 3.25Å; E242-R245 WeakPolarHBondContact O-CG 3.41Å; E242-R245 PolarHBondContact O-N 3.17Å
246D63.1Low67.4Low64 Ų6465.1 Ų65.134%0.34234%0.335SS..THydrogen-bonded Turntrans-96.51.9-177.5-63.3-51.2000112.2S136 F244 K248S136-D246 WeakPolarHBondContact CB-O 3.29Å; S136-D246 PolarHBondContact OG-O 3.32Å; F244-D246 PolarHBondContact O-N 3Å; F244-D246 VanDerWaalsContact O-N 3.11Å; D246-K248 PolarHBondContact O-N 3.12Å
247V58.6Low66Low5 Ų567.4 Ų67.43%0.0336%0.355CS..  trans-62.3123174.8177.30000108.9E202 F244 L252 K253 I256E202-V247 WeakPolarHBondContact OE1-CG2 3.46Å; F244-V247 HydrophobicContact CB-CG2 3.71Å; F244-V247 HydrophobicContact CD1-CG2 3.86Å; F244-V247 HydrophobicContact CG-CG2 4.29Å; F244-V247 VanDerWaalsContact O-CB 3.3Å; F244-V247 WeakPolarHBondContact O-CB 3.43Å; F244-V247 VanDerWaalsContact O-CG2 3.28Å; F244-V247 WeakPolarHBondContact O-CG2 3.46Å; F244-V247 PolarHBondContact O-N 3.38Å; V247-L252 HydrophobicContact CG1-CB 4.2Å; V247-L252 HydrophobicContact CG1-CD2 3.98Å; V247-L252 HydrophobicContact CG1-CG 4.1Å; V247-K253 HydrophobicContact CG1-CG 4.02Å; V247-K253 WeakPolarHBondContact O-CE 3.05Å; V247-I256 HydrophobicContact CG1-CD1 4.32Å; V247-I256 HydrophobicContact CG2-CD1 4.14Å
248K64.3Low65Low132 Ų13272 Ų7257%0.57438%0.379SS*.  trans-110.8-20.4175.8-70.7-179.3-178.2176.20113.5D246 F250D246-K248 PolarHBondContact O-N 3.12Å; K248-F250 PolarHBondContact O-N 2.78Å
249D68.6Low64.1Low84 Ų8475 Ų7545%0.44938%0.381SS..  trans-61.6123.5178.5-176.3-80.8000111.3S251 L252 K253D249-S251 WeakPolarHBondContact OD1-CB 3.48Å; D249-S251 PolarHBondContact OD1-N 3.38Å; D249-L252 HydrophobicContact CB-CB 3.96Å; D249-L252 WeakPolarHBondContact OD1-CB 3.47Å; D249-L252 PolarHBondContact OD1-N 3.2Å; D249-K253 WeakPolarHBondContact O-CB 3.4Å; D249-K253 VanDerWaalsContact O-CG 3.31Å; D249-K253 WeakPolarHBondContact O-CG 3.17Å; D249-K253 PolarHBondContact O-N 2.75Å
250F71.1Confident63.6Low157 Ų15780 Ų8069%0.68940%0.399SS*.Hα-helixtrans-67.8-41.1-173.5-176.2-101.4000112.3K248 K253 C254K248-F250 PolarHBondContact O-N 2.78Å; F250-K253 WeakPolarHBondContact O-CB 3.37Å; F250-K253 PolarHBondContact O-N 3.34Å; F250-C254 PolarHBondContact O-N 3Å; F250-C254 PolarHBondContact O-SG 2.9Å; F250-C254 VanDerWaalsContact O-SG 3.34Å
251S70Confident63.1Low78 Ų7883.8 Ų83.855%0.54542%0.422SS..Hα-helixtrans-65.7-43.3179.3-590000111.2D249 C254 I255D249-S251 WeakPolarHBondContact OD1-CB 3.48Å; D249-S251 PolarHBondContact OD1-N 3.38Å; S251-C254 PolarHBondContact O-N 3.1Å; S251-I255 VanDerWaalsContact O-CG1 3.32Å; S251-I255 WeakPolarHBondContact O-CG1 3.49Å; S251-I255 PolarHBondContact O-N 3.31Å
252L68.1Low63.4Low51 Ų5187.1 Ų87.127%0.26744%0.442SS..Hα-helixtrans-66.5-39.7175.2-170.458.1000111.2V247 D249 I255 I256V247-L252 HydrophobicContact CG1-CB 4.2Å; V247-L252 HydrophobicContact CG1-CD2 3.98Å; V247-L252 HydrophobicContact CG1-CG 4.1Å; D249-L252 HydrophobicContact CB-CB 3.96Å; D249-L252 WeakPolarHBondContact OD1-CB 3.47Å; D249-L252 PolarHBondContact OD1-N 3.2Å; L252-I255 PolarHBondContact O-N 2.89Å; L252-I256 HydrophobicContact CD1-CD1 4.32Å; L252-I256 HydrophobicContact CG-CD1 3.88Å; L252-I256 WeakPolarHBondContact O-CB 3.45Å; L252-I256 WeakPolarHBondContact O-CD1 3.14Å; L252-I256 WeakPolarHBondContact O-CG1 3.38Å; L252-I256 PolarHBondContact O-N 3.35Å
253K66.1Low63.8Low100 Ų10083 Ų8344%0.43542%0.423SS..Hα-helixtrans-58-46.6171-81.7-178-178.4-178.10112.1V247 D249 F250 I256 A257V247-K253 HydrophobicContact CG1-CG 4.02Å; V247-K253 WeakPolarHBondContact O-CE 3.05Å; D249-K253 WeakPolarHBondContact O-CB 3.4Å; D249-K253 VanDerWaalsContact O-CG 3.31Å; D249-K253 WeakPolarHBondContact O-CG 3.17Å; D249-K253 PolarHBondContact O-N 2.75Å; F250-K253 WeakPolarHBondContact O-CB 3.37Å; F250-K253 PolarHBondContact O-N 3.34Å; K253-I256 PolarHBondContact O-N 2.73Å; K253-A257 VanDerWaalsContact O-CB 3.29Å; K253-A257 WeakPolarHBondContact O-CB 3.29Å; K253-A257 PolarHBondContact O-N 2.77Å
254C67.2Low64.8Low54 Ų5482 Ų8237%0.36542%0.417SS..Hα-helixtrans-62.7-44178-72.10000111.6F250 S251 I256 A257 V258F250-C254 PolarHBondContact O-N 3Å; F250-C254 PolarHBondContact O-SG 2.9Å; F250-C254 VanDerWaalsContact O-SG 3.34Å; S251-C254 PolarHBondContact O-N 3.1Å; C254-I256 PolarHBondContact O-N 3.02Å; C254-A257 PolarHBondContact O-N 3.42Å; C254-V258 WeakPolarHBondContact O-CB 3.48Å; C254-V258 VanDerWaalsContact O-CG2 3.23Å; C254-V258 WeakPolarHBondContact O-CG2 3.47Å; C254-V258 PolarHBondContact O-N 2.95Å
255I66.6Low66Low96 Ų9681.5 Ų81.549%0.49242%0.421SS..Hα-helixtrans-62.5-43.2176-68.2166.2000111S251 L252 K259S251-I255 VanDerWaalsContact O-CG1 3.32Å; S251-I255 WeakPolarHBondContact O-CG1 3.49Å; S251-I255 PolarHBondContact O-N 3.31Å; L252-I255 PolarHBondContact O-N 2.89Å; I255-K259 HydrophobicContact CG2-CD 4.49Å; I255-K259 WeakPolarHBondContact O-CB 3.33Å; I255-K259 WeakPolarHBondContact O-CG 3.43Å; I255-K259 PolarHBondContact O-N 3.38Å
256I64.2Low67.2Low19 Ų1977.5 Ų77.510%0.09741%0.411CS..Hα-helixtrans-64.1-43.5176.8-69.9163.7000110.6F244 V247 L252 K253 C254 K259 W260F244-I256 HydrophobicContact CB-CD1 4.03Å; F244-I256 HydrophobicContact CD1-CD1 3.52Å; F244-I256 HydrophobicContact CD1-CG1 4.41Å; F244-I256 HydrophobicContact CE1-CD1 4.11Å; F244-I256 HydrophobicContact CG-CD1 3.76Å; V247-I256 HydrophobicContact CG1-CD1 4.32Å; V247-I256 HydrophobicContact CG2-CD1 4.14Å; L252-I256 HydrophobicContact CD1-CD1 4.32Å; L252-I256 HydrophobicContact CG-CD1 3.88Å; L252-I256 WeakPolarHBondContact O-CB 3.45Å; L252-I256 WeakPolarHBondContact O-CD1 3.14Å; L252-I256 WeakPolarHBondContact O-CG1 3.38Å; L252-I256 PolarHBondContact O-N 3.35Å; K253-I256 PolarHBondContact O-N 2.73Å; C254-I256 PolarHBondContact O-N 3.02Å; I256-K259 CarbonylContact O-C 3.44Å; I256-K259 PolarHBondContact O-N 2.96Å; I256-W260 HydrophobicContact CG2-CE3 4.02Å; I256-W260 HydrophobicContact CG2-CZ3 4.33Å; I256-W260 WeakPolarHBondContact O-CA 3.41Å; I256-W260 WeakPolarHBondContact O-CB 3.12Å; I256-W260 PolarHBondContact O-N 3.47Å
257A61.9Low68.7Low65 Ų6576.5 Ų76.554%0.53740%0.402SS..Hα-helixtrans-64.6-47.1178.900000111.8K253 C254 K259 W260K253-A257 VanDerWaalsContact O-CB 3.29Å; K253-A257 WeakPolarHBondContact O-CB 3.29Å; K253-A257 PolarHBondContact O-N 2.77Å; C254-A257 PolarHBondContact O-N 3.42Å; A257-K259 VanDerWaalsContact C-N 3.31Å; A257-K259 PolarHBondContact O-N 3.42Å; A257-W260 WeakPolarHBondContact O-CB 3.45Å; A257-W260 PolarHBondContact O-N 2.95Å; A257-W260 VanDerWaalsContact O-N 3.13Å
258V60.2Low70.3Confident119 Ų11980.9 Ų80.972%0.72142%0.421SS*.Hα-helixtrans-61.6-40.7176.8170.20000111C254 W260C254-V258 WeakPolarHBondContact O-CB 3.48Å; C254-V258 VanDerWaalsContact O-CG2 3.23Å; C254-V258 WeakPolarHBondContact O-CG2 3.47Å; C254-V258 PolarHBondContact O-N 2.95Å; V258-W260 VanDerWaalsContact C-N 3.35Å
259K58.5Low71.7Confident119 Ų11974.6 Ų74.652%0.51739%0.394SS..Hα-helixtrans-84.6-5177.3-66.4-164.1174-169.20113.6I255 I256 A257 L261 T262 F263I255-K259 HydrophobicContact CG2-CD 4.49Å; I255-K259 WeakPolarHBondContact O-CB 3.33Å; I255-K259 WeakPolarHBondContact O-CG 3.43Å; I255-K259 PolarHBondContact O-N 3.38Å; I256-K259 CarbonylContact O-C 3.44Å; I256-K259 PolarHBondContact O-N 2.96Å; A257-K259 VanDerWaalsContact C-N 3.31Å; A257-K259 PolarHBondContact O-N 3.42Å; K259-L261 PolarHBondContact O-N 3.48Å; K259-T262 WeakPolarHBondContact O-CA 3.38Å; K259-T262 WeakPolarHBondContact O-CB 3.46Å; K259-T262 PolarHBondContact O-N 3.14Å; K259-T262 PolarHBondContact O-OG1 2.8Å; K259-F263 HydrophobicContact CB-CD2 4.32Å; K259-F263 HydrophobicContact CB-CE2 3.71Å; K259-F263 WeakPolarHBondContact O-CD2 3.23Å; K259-F263 PolarHBondContact O-N 3.12Å
260W57Low73Confident112 Ų11270.6 Ų70.642%0.42437%0.373SS..G310 helixtrans-54.3-37.2-173-172.8-99.9000112.3K240 I256 A257 V258 T262 F263K240-W260 WeakPolarHBondContact CE-O 3.48Å; I256-W260 HydrophobicContact CG2-CE3 4.02Å; I256-W260 HydrophobicContact CG2-CZ3 4.33Å; I256-W260 WeakPolarHBondContact O-CA 3.41Å; I256-W260 WeakPolarHBondContact O-CB 3.12Å; I256-W260 PolarHBondContact O-N 3.47Å; A257-W260 WeakPolarHBondContact O-CB 3.45Å; A257-W260 PolarHBondContact O-N 2.95Å; A257-W260 VanDerWaalsContact O-N 3.13Å; V258-W260 VanDerWaalsContact C-N 3.35Å; W260-T262 VanDerWaalsContact C-N 3.29Å; W260-T262 PolarHBondContact O-N 2.56Å; W260-F263 WeakPolarHBondContact O-CB 3.46Å; W260-F263 PolarHBondContact O-N 3.24Å
261L53.8Low74.3Confident151 Ų15163.3 Ų63.379%0.79134%0.341SS*.G310 helixtrans-66.4-27.3176.9-64.7176000113.5K259 F263K259-L261 PolarHBondContact O-N 3.48Å; L261-F263 VanDerWaalsContact C-N 3.28Å; L261-F263 PolarHBondContact O-N 3.04Å
262T63.1Low75.6Confident96 Ų9659.8 Ų59.859%0.58932%0.316SS*.G310 helixtrans-81.6-7177.174.90000113K259 W260K259-T262 WeakPolarHBondContact O-CA 3.38Å; K259-T262 WeakPolarHBondContact O-CB 3.46Å; K259-T262 PolarHBondContact O-N 3.14Å; K259-T262 PolarHBondContact O-OG1 2.8Å; W260-T262 VanDerWaalsContact C-N 3.29Å; W260-T262 PolarHBondContact O-N 2.56Å
263F73.2Confident77.1Confident25 Ų2557.4 Ų57.411%0.1130%0.303CS..PPolyproline II helixtrans-80.4134.4-178.7-76.1-140.3000110.1A238 V239 K240 F244 K259 W260 L261A238-F263 CarbonylContact O-C 3.59Å; A238-F263 WeakPolarHBondContact O-CA 3.46Å; A238-F263 WeakPolarHBondContact O-CB 3.43Å; V239-F263 WeakPolarHBondContact O-CD1 3.39Å; K240-F263 HydrophobicContact CB-CB 4.29Å; K240-F263 HydrophobicContact CD-CB 4.39Å; K240-F263 VanDerWaalsContact CE-O 3.25Å; K240-F263 WeakPolarHBondContact CE-O 3.47Å; K240-F263 HydrophobicContact CG-CB 3.33Å; K240-F263 HydrophobicContact CG-CG 4.4Å; F244-F263 HydrophobicContact CD2-CE1 4.23Å; F244-F263 AromaticContact CE2-CE1 3.59Å; F244-F263 HydrophobicContact CE2-CE1 3.59Å; F244-F263 HydrophobicContact CE2-CZ 4.31Å; F244-F263 HydrophobicContact CZ-CE1 4.3Å; K259-F263 HydrophobicContact CB-CD2 4.32Å; K259-F263 HydrophobicContact CB-CE2 3.71Å; K259-F263 WeakPolarHBondContact O-CD2 3.23Å; K259-F263 PolarHBondContact O-N 3.12Å; W260-F263 WeakPolarHBondContact O-CB 3.46Å; W260-F263 PolarHBondContact O-N 3.24Å; L261-F263 VanDerWaalsContact C-N 3.28Å; L261-F263 PolarHBondContact O-N 3.04Å
264I78Confident78.6Confident15 Ų1552.7 Ų52.78%0.07728%0.283CS..BIsolated β-bridgetrans-77.2159.518068.1-178.3000111.5P236 A238 V239 K240 K268P236-I264 WeakPolarHBondContact O-CD1 3.4Å; A238-I264 PolarHBondContact O-N 3.18Å; V239-I264 CarbonylContact C-O 3.53Å; V239-I264 WeakPolarHBondContact CA-O 3.4Å; V239-I264 HydrophobicContact CB-CG1 4.24Å; V239-I264 HydrophobicContact CG1-CG1 4.38Å; V239-I264 WeakPolarHBondContact CG1-O 3.43Å; V239-I264 HydrophobicContact CG2-CD1 4.03Å; V239-I264 HydrophobicContact CG2-CG1 3.78Å; K240-I264 PolarHBondContact N-O 3.07Å; I264-K268 HydrophobicContact CB-CB 3.91Å; I264-K268 HydrophobicContact CB-CD 4.12Å; I264-K268 HydrophobicContact CD1-CB 3.92Å; I264-K268 HydrophobicContact CG1-CB 4.11Å; I264-K268 HydrophobicContact CG2-CD 4.39Å
265S87Confident80.1Confident48 Ų4851.4 Ų51.434%0.33627%0.27SS..PPolyproline II helixtrans-67.9155.217665.70000111.7W267 K268 G269S265-W267 PolarHBondContact O-N 3.05Å; S265-W267 VanDerWaalsContact O-N 3.15Å; S265-K268 PolarHBondContact O-N 2.96Å; S265-K268 PolarHBondContact OG-N 3.16Å; S265-G269 PolarHBondContact O-N 3.45Å
266P90.6Very high81.6Confident38 Ų3846.8 Ų46.825%0.24725%0.247CC..Hα-helixtrans-49.8-36.2171-31.637.7000114.4V35 V239 K240 G269 A270V35-P266 HydrophobicContact CG2-CB 3.89Å; V239-P266 HydrophobicContact CG1-CG 4.39Å; K240-P266 WeakPolarHBondContact O-CG 3.47Å; P266-G269 CarbonylContact O-C 3.56Å; P266-G269 WeakPolarHBondContact O-CA 3.38Å; P266-G269 PolarHBondContact O-N 2.62Å; P266-A270 PolarHBondContact O-N 3.17Å
267W94.7Very high83.3Confident42 Ų4246 Ų4616%0.15924%0.243CC..Hα-helixtrans-64.4-44.5176.3-179.890.6000113.1A11 V35 D79 A81 S265 G269 A270 Q271A11-W267 HydrophobicContact CB-CH2 4.11Å; A11-W267 HydrophobicContact CB-CZ3 4.5Å; V35-W267 HydrophobicContact CG1-CB 4.21Å; V35-W267 HydrophobicContact CG1-CG 4.37Å; D79-W267 HydrophobicContact CB-CG 4.48Å; D79-W267 WeakPolarHBondContact O-CZ2 3.33Å; D79-W267 PolarHBondContact O-NE1 3.41Å; A81-W267 HydrophobicContact CB-CH2 4.11Å; A81-W267 HydrophobicContact CB-CZ2 4.22Å; S265-W267 PolarHBondContact O-N 3.05Å; S265-W267 VanDerWaalsContact O-N 3.15Å; W267-G269 VanDerWaalsContact C-N 3.27Å; W267-G269 PolarHBondContact O-N 2.91Å; W267-A270 PolarHBondContact O-N 2.97Å; W267-Q271 VanDerWaalsContact CE2-NE2 3.31Å; W267-Q271 HydrophobicContact CZ3-CG 4.48Å; W267-Q271 WeakPolarHBondContact O-CG 3.28Å; W267-Q271 PolarHBondContact O-NE2 3.24Å
268K93.4Very high85Confident98 Ų9842.9 Ų42.943%0.42622%0.217SC..Hα-helixtrans-63.4-37.3172-71.4-175.4176.9-179.80111I264 S265 A270 Q271I264-K268 HydrophobicContact CB-CB 3.91Å; I264-K268 HydrophobicContact CB-CD 4.12Å; I264-K268 HydrophobicContact CD1-CB 3.92Å; I264-K268 HydrophobicContact CG1-CB 4.11Å; I264-K268 HydrophobicContact CG2-CD 4.39Å; S265-K268 PolarHBondContact O-N 2.96Å; S265-K268 PolarHBondContact OG-N 3.16Å; K268-A270 VanDerWaalsContact C-N 3.3Å; K268-A270 PolarHBondContact O-N 2.86Å; K268-Q271 WeakPolarHBondContact O-CB 3.13Å; K268-Q271 WeakPolarHBondContact O-CG 3.27Å; K268-Q271 PolarHBondContact O-N 3.06Å
269G92.5Very high86.8Confident0 Ų037.2 Ų37.20%018%0.183CC..Hα-helixtrans-62.5-32.9176.800000114.7P236 S265 P266 W267 Q271P236-G269 VanDerWaalsContact CB-O 3.24Å; P236-G269 WeakPolarHBondContact CB-O 3.49Å; P236-G269 WeakPolarHBondContact O-CA 3.48Å; S265-G269 PolarHBondContact O-N 3.45Å; P266-G269 CarbonylContact O-C 3.56Å; P266-G269 WeakPolarHBondContact O-CA 3.38Å; P266-G269 PolarHBondContact O-N 2.62Å; W267-G269 VanDerWaalsContact C-N 3.27Å; W267-G269 PolarHBondContact O-N 2.91Å; G269-Q271 VanDerWaalsContact C-N 3.33Å
270A97Very high88.5Confident0 Ų036.9 Ų36.90%019%0.187CC..Hα-helixtrans-76.9-16.8179.200000113.5I32 V35 P266 W267 K268 T272 T273 L274I32-A270 HydrophobicContact CG2-CB 4.16Å; V35-A270 HydrophobicContact CB-CB 4.16Å; V35-A270 HydrophobicContact CG1-CB 3.94Å; P266-A270 PolarHBondContact O-N 3.17Å; W267-A270 PolarHBondContact O-N 2.97Å; K268-A270 VanDerWaalsContact C-N 3.3Å; K268-A270 PolarHBondContact O-N 2.86Å; A270-T272 VanDerWaalsContact C-N 3.34Å; A270-T272 PolarHBondContact O-N 3.27Å; A270-T273 WeakPolarHBondContact O-CA 3.32Å; A270-T273 WeakPolarHBondContact O-CB 3.33Å; A270-T273 PolarHBondContact O-N 3.37Å; A270-L274 WeakPolarHBondContact O-CG 3.41Å; A270-L274 PolarHBondContact O-N 2.98Å
271Q97.7Very high90.3Very high4 Ų437.1 Ų37.12%0.01920%0.196CC..Hα-helixtrans-61.9-37.8-170.7-64.2-56.3-5400113.7A11 W267 K268 G269 L274 Y275 C291A11-Q271 HydrophobicContact CB-CG 4.11Å; W267-Q271 VanDerWaalsContact CE2-NE2 3.31Å; W267-Q271 HydrophobicContact CZ3-CG 4.48Å; W267-Q271 WeakPolarHBondContact O-CG 3.28Å; W267-Q271 PolarHBondContact O-NE2 3.24Å; K268-Q271 WeakPolarHBondContact O-CB 3.13Å; K268-Q271 WeakPolarHBondContact O-CG 3.27Å; K268-Q271 PolarHBondContact O-N 3.06Å; G269-Q271 VanDerWaalsContact C-N 3.33Å; Q271-L274 PolarHBondContact O-N 2.67Å; Q271-Y275 WeakPolarHBondContact O-CB 3.49Å; Q271-Y275 PolarHBondContact O-N 3.26Å; Q271-C291 PolarHBondContact O-SG 3.42Å
272T97.9Very high92.4Very high4 Ų431.1 Ų31.13%0.02517%0.165CC..Hα-helixtrans-71.1-37.6176.8-56.80000110.9V234 A270 Y275 T276 N290 C291V234-T272 HydrophobicContact CG1-CG2 3.68Å; V234-T272 HydrophobicContact CG2-CG2 4.36Å; A270-T272 VanDerWaalsContact C-N 3.34Å; A270-T272 PolarHBondContact O-N 3.27Å; T272-Y275 WeakPolarHBondContact O-CB 3.39Å; T272-Y275 PolarHBondContact O-N 2.94Å; T272-T276 WeakPolarHBondContact O-CG2 3.48Å; T272-T276 PolarHBondContact O-N 3.29Å; T272-T276 PolarHBondContact O-OG1 2.97Å; T272-N290 PolarHBondContact OG1-N 3.13Å; T272-C291 PolarHBondContact OG1-N 3.12Å
273T98.5Very high94.1Very high0 Ų031.5 Ų31.50%016%0.162CC..Hα-helixtrans-60.4-47.4172.8-530000110.9T36 I128 V176 A270 Y275 T276 V277T36-T273 HydrophobicContact CG2-CG2 3.85Å; I128-T273 HydrophobicContact CG2-CG2 3.73Å; V176-T273 HydrophobicContact CG1-CG2 4.23Å; A270-T273 WeakPolarHBondContact O-CA 3.32Å; A270-T273 WeakPolarHBondContact O-CB 3.33Å; A270-T273 PolarHBondContact O-N 3.37Å; T273-Y275 PolarHBondContact O-N 2.82Å; T273-T276 WeakPolarHBondContact CA-OG1 3.31Å; T273-T276 CarbonylContact O-C 3.59Å; T273-T276 PolarHBondContact O-N 3.39Å; T273-T276 VanDerWaalsContact O-N 3.13Å; T273-T276 PolarHBondContact O-OG1 3.05Å; T273-V277 WeakPolarHBondContact O-CG2 3.4Å; T273-V277 PolarHBondContact O-N 3.19Å
274L98.3Very high95.3Very high1 Ų132.5 Ų32.51%0.00517%0.173CC..Hα-helixtrans-61.7-43.3176.8-66.9172000112C12 E39 L40 A270 Q271 T276 V277 L278C12-L274 HydrophobicContact CB-CB 4.4Å; E39-L274 HydrophobicContact CB-CD1 3.77Å; E39-L274 HydrophobicContact CB-CD2 3.52Å; E39-L274 HydrophobicContact CB-CG 4.25Å; E39-L274 HydrophobicContact CG-CD1 3.73Å; E39-L274 HydrophobicContact CG-CD2 4.4Å; L40-L274 HydrophobicContact CD2-CD2 4.22Å; A270-L274 WeakPolarHBondContact O-CG 3.41Å; A270-L274 PolarHBondContact O-N 2.98Å; Q271-L274 PolarHBondContact O-N 2.67Å; L274-T276 VanDerWaalsContact C-N 3.27Å; L274-T276 PolarHBondContact O-N 3.47Å; L274-V277 PolarHBondContact O-N 2.95Å; L274-L278 HydrophobicContact CB-CD1 4.37Å; L274-L278 WeakPolarHBondContact O-CB 3.27Å; L274-L278 VanDerWaalsContact O-CG 3.23Å; L274-L278 WeakPolarHBondContact O-CG 3.35Å; L274-L278 PolarHBondContact O-N 3Å
275Y98.4Very high96.3Very high27 Ų2732.5 Ų32.511%0.10618%0.176CC..Hα-helixtrans-54.7-44.9173.4179.4-91.3000111.3E3 T4 I14 Q271 T272 T273 V277 L278 S279 L282 Y288 C291E3-Y275 HydrophobicContact CB-CE2 4.04Å; E3-Y275 WeakPolarHBondContact OE2-CE2 3.33Å; E3-Y275 PolarHBondContact OE2-OH 3.22Å; T4-Y275 HydrophobicContact CG2-CD2 3.85Å; T4-Y275 HydrophobicContact CG2-CE2 3.88Å; I14-Y275 HydrophobicContact CD1-CD2 3.97Å; I14-Y275 HydrophobicContact CD1-CE2 4.17Å; Q271-Y275 WeakPolarHBondContact O-CB 3.49Å; Q271-Y275 PolarHBondContact O-N 3.26Å; T272-Y275 WeakPolarHBondContact O-CB 3.39Å; T272-Y275 PolarHBondContact O-N 2.94Å; T273-Y275 PolarHBondContact O-N 2.82Å; Y275-V277 VanDerWaalsContact C-N 3.28Å; Y275-V277 PolarHBondContact O-N 2.96Å; Y275-L278 PolarHBondContact O-N 3.41Å; Y275-S279 WeakPolarHBondContact O-CB 3.1Å; Y275-S279 PolarHBondContact O-N 3.29Å; Y275-L282 HydrophobicContact CD1-CD2 4.42Å; Y275-L282 HydrophobicContact CE1-CD2 4.1Å; Y275-Y288 HydrophobicContact CD1-CD1 4.37Å; Y275-Y288 HydrophobicContact CE1-CD1 4.09Å; Y275-Y288 HydrophobicContact CE1-CE1 4.18Å; Y275-C291 HydrophobicContact CD1-CB 4.34Å; Y275-C291 HydrophobicContact CD2-CB 3.86Å; Y275-C291 HydrophobicContact CE2-CB 4.43Å; Y275-C291 HydrophobicContact CG-CB 3.79Å
276T98.6Very high96.8Very high0 Ų030.5 Ų30.50%016%0.163CC..Hα-helixtrans-71.4-16.1176.457.20000115R174 V232 V234 T272 T273 L274 L282 Y288R174-T276 WeakPolarHBondContact CD-O 3.34Å; R174-T276 PolarHBondContact NH1-O 2.87Å; V232-T276 HydrophobicContact CG2-CG2 3.89Å; V234-T276 HydrophobicContact CG2-CG2 3.64Å; T272-T276 WeakPolarHBondContact O-CG2 3.48Å; T272-T276 PolarHBondContact O-N 3.29Å; T272-T276 PolarHBondContact O-OG1 2.97Å; T273-T276 WeakPolarHBondContact CA-OG1 3.31Å; T273-T276 CarbonylContact O-C 3.59Å; T273-T276 PolarHBondContact O-N 3.39Å; T273-T276 VanDerWaalsContact O-N 3.13Å; T273-T276 PolarHBondContact O-OG1 3.05Å; L274-T276 VanDerWaalsContact C-N 3.27Å; L274-T276 PolarHBondContact O-N 3.47Å; T276-L282 HydrophobicContact CG2-CD2 4.23Å; T276-L282 WeakPolarHBondContact O-CD1 3.44Å; T276-Y288 HydrophobicContact CG2-CD1 4.28Å; T276-Y288 HydrophobicContact CG2-CD2 4.03Å; T276-Y288 HydrophobicContact CG2-CG 3.79Å
277V98.6Very high97.2Very high1 Ų128.9 Ų28.91%0.00615%0.152CC..Hα-helixtrans-86.7-31.3171.9174.20000111.8L18 L40 F126 I128 R174 V176 T273 L274 Y275L18-V277 HydrophobicContact CD1-CG1 4.19Å; L40-V277 HydrophobicContact CD2-CB 4.27Å; L40-V277 HydrophobicContact CD2-CG1 3.64Å; L40-V277 HydrophobicContact CD2-CG2 4.4Å; F126-V277 HydrophobicContact CD1-CG1 3.87Å; F126-V277 HydrophobicContact CD2-CG1 4.3Å; F126-V277 HydrophobicContact CE1-CG1 3.78Å; F126-V277 HydrophobicContact CE2-CG1 4.21Å; F126-V277 HydrophobicContact CG-CG1 4.14Å; F126-V277 HydrophobicContact CZ-CG1 3.95Å; I128-V277 HydrophobicContact CD1-CG2 3.58Å; R174-V277 VanDerWaalsContact CZ-O 3.26Å; R174-V277 PolarHBondContact NH1-O 3.4Å; V176-V277 HydrophobicContact CG2-CG2 4.39Å; T273-V277 WeakPolarHBondContact O-CG2 3.4Å; T273-V277 PolarHBondContact O-N 3.19Å; L274-V277 PolarHBondContact O-N 2.95Å; Y275-V277 VanDerWaalsContact C-N 3.28Å; Y275-V277 PolarHBondContact O-N 2.96Å
278L98.3Very high97.4Very high0 Ų027.1 Ų27.10%015%0.145CC..Hα-helixtrans-103.3-31.8-168.1-58.6169.9000114I14 K16 L18 L274 Y275I14-L278 HydrophobicContact CB-CB 3.97Å; I14-L278 HydrophobicContact CB-CD1 4.47Å; I14-L278 HydrophobicContact CD1-CB 4.11Å; I14-L278 HydrophobicContact CG2-CB 3.78Å; K16-L278 HydrophobicContact CB-CD2 4.2Å; K16-L278 WeakPolarHBondContact CD-O 3.44Å; L18-L278 HydrophobicContact CD1-CD2 4.13Å; L18-L278 HydrophobicContact CD2-CD2 4.02Å; L18-L278 HydrophobicContact CG-CD2 4.18Å; L274-L278 HydrophobicContact CB-CD1 4.37Å; L274-L278 WeakPolarHBondContact O-CB 3.27Å; L274-L278 VanDerWaalsContact O-CG 3.23Å; L274-L278 WeakPolarHBondContact O-CG 3.35Å; L274-L278 PolarHBondContact O-N 3Å; Y275-L278 PolarHBondContact O-N 3.41Å
279S97.3Very high97.5Very high1 Ų123.4 Ų23.41%0.00713%0.131CC..  trans-69136.3-176.7-173.40000111.2E3 R174 Y275 N281E3-S279 PolarHBondContact OE2-OG 3.19Å; R174-S279 PolarHBondContact NH1-O 3.49Å; R174-S279 PolarHBondContact NH2-O 3.12Å; Y275-S279 WeakPolarHBondContact O-CB 3.1Å; Y275-S279 PolarHBondContact O-N 3.29Å; S279-N281 VanDerWaalsContact C-N 3.3Å; S279-N281 PolarHBondContact OG-N 3.37Å
280D95.7Very high97.7Very high112 Ų11225.5 Ų25.560%0.59914%0.143SC*.SBendtrans-88-5.5174.3-66.2-38.7000111.9K16 R174K16-D280 IonicContact NZ-OD1 3.04Å; K16-D280 PolarHBondContact NZ-OD1 3.06Å; K16-D280 IonicContact NZ-OD2 3.5Å; K16-D280 PolarHBondContact NZ-OD2 3.28Å; R174-D280 IonicContact NH2-OD1 3.06Å; R174-D280 PolarHBondContact NH2-OD1 2.88Å
281N94.8Very high97.6Very high116 Ų11625.7 Ų25.762%0.6214%0.144SC*.  trans-102.935.2-174.1-63.4-50.9000112.9E3 S279E3-N281 PolarHBondContact OE1-ND2 3.1Å; S279-N281 VanDerWaalsContact C-N 3.3Å; S279-N281 PolarHBondContact OG-N 3.37Å
282L97.7Very high97.6Very high25 Ų2526.6 Ų26.613%0.13115%0.152CC..PPolyproline II helixtrans-88.6132.7-178.9-61.5174.6000111.7T230 Y275 T276 Y288T230-L282 HydrophobicContact CG2-CB 4.04Å; T230-L282 HydrophobicContact CG2-CD1 4.42Å; Y275-L282 HydrophobicContact CD1-CD2 4.42Å; Y275-L282 HydrophobicContact CE1-CD2 4.1Å; T276-L282 HydrophobicContact CG2-CD2 4.23Å; T276-L282 WeakPolarHBondContact O-CD1 3.44Å; L282-Y288 WeakPolarHBondContact CA-OH 3.34Å; L282-Y288 HydrophobicContact CD2-CD1 4.25Å; L282-Y288 HydrophobicContact CD2-CE1 3.6Å; L282-Y288 HydrophobicContact CD2-CE2 4.21Å
283I98.1Very high97.6Very high104 Ų10430 Ų3053%0.53317%0.17SC..PPolyproline II helixtrans-85.6117.1164.2-53.6-174.2000108.8G286 Y288 L293I283-G286 WeakPolarHBondContact O-CA 3.34Å; I283-G286 PolarHBondContact O-N 3.47Å; I283-Y288 PolarHBondContact N-OH 3.17Å; I283-Y288 PolarHBondContact O-OH 3.36Å; I283-L293 HydrophobicContact CD1-CD2 3.65Å; I283-L293 HydrophobicContact CG1-CD2 4.4Å
284S98.6Very high97.5Very high47 Ų4734.5 Ų34.533%0.32919%0.189SC..THydrogen-bonded Turntrans-60.9140171.6-1600000110.2S221 V231 G286S221-S284 WeakPolarHBondContact CB-OG 3.39Å; V231-S284 PolarHBondContact N-OG 3.22Å; V231-S284 CarbonylContact O-C 3.57Å; V231-S284 WeakPolarHBondContact O-CA 3.39Å; S284-G286 PolarHBondContact O-N 3.49Å
285G98.5Very high97.5Very high14 Ų1440.2 Ų40.214%0.14422%0.216CC..THydrogen-bonded Turntrans80-5.8-167.600000114V218 S221 V231V218-G285 WeakPolarHBondContact CG2-O 3.33Å; S221-G285 WeakPolarHBondContact OG-CA 3.14Å; S221-G285 PolarHBondContact OG-N 3.43Å; V231-G285 PolarHBondContact O-N 2.76Å
286G98.5Very high97.5Very high6 Ų640 Ų406%0.06222%0.218CC..  trans-67.4144.2-178.200000113.6V232 S233 I283 S284V232-G286 WeakPolarHBondContact CA-O 3.49Å; S233-G286 PolarHBondContact N-O 3.39Å; I283-G286 WeakPolarHBondContact O-CA 3.34Å; I283-G286 PolarHBondContact O-N 3.47Å; S284-G286 PolarHBondContact O-N 3.49Å
287Y98.7Very high97.4Very high5 Ų540.5 Ų40.52%0.0222%0.222CC..EExtended strand (participates in β ladder)trans-97.4120.1166.7170.2-112.3000109.4H183 Y184 V214 S233 H235 K294H183-Y287 AromaticContact CE1-CE1 3.6Å; H183-Y287 AromaticContact CE1-CE2 3.85Å; H183-Y287 AromaticContact CE1-CZ 3.39Å; H183-Y287 PolarHBondContact CE1-OH 3.42Å; H183-Y287 AromaticContact ND1-CE2 3.99Å; H183-Y287 AromaticContact ND1-CZ 3.76Å; Y184-Y287 HydrophobicContact CE2-CE1 4.37Å; V214-Y287 HydrophobicContact CG2-CD2 4.28Å; S233-Y287 CarbonylContact O-C 3.44Å; S233-Y287 WeakPolarHBondContact O-CA 3.37Å; S233-Y287 WeakPolarHBondContact OG-CD2 3.38Å; H235-Y287 HydrophobicContact CB-CE2 3.84Å; H235-Y287 WeakPolarHBondContact CB-OH 3.24Å; Y287-K294 HydrophobicContact CD1-CB 3.67Å; Y287-K294 HydrophobicContact CE1-CB 3.94Å; Y287-K294 PolarHBondContact O-N 2.88Å
288Y98.5Very high97.4Very high4 Ų446.3 Ų46.32%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-110.8135.2-176-69.1-99.5000111.3V232 S233 V234 H235 Y275 T276 L282 I283 A292 L293V232-Y288 HydrophobicContact CB-CD2 3.96Å; V232-Y288 HydrophobicContact CB-CE2 4.02Å; V232-Y288 HydrophobicContact CG1-CD2 4.01Å; V232-Y288 HydrophobicContact CG1-CE2 3.55Å; S233-Y288 PolarHBondContact O-N 3.4Å; V234-Y288 CarbonylContact C-O 3.57Å; V234-Y288 WeakPolarHBondContact CA-O 3.28Å; H235-Y288 PolarHBondContact N-O 3.01Å; Y275-Y288 HydrophobicContact CD1-CD1 4.37Å; Y275-Y288 HydrophobicContact CE1-CD1 4.09Å; Y275-Y288 HydrophobicContact CE1-CE1 4.18Å; T276-Y288 HydrophobicContact CG2-CD1 4.28Å; T276-Y288 HydrophobicContact CG2-CD2 4.03Å; T276-Y288 HydrophobicContact CG2-CG 3.79Å; L282-Y288 WeakPolarHBondContact CA-OH 3.34Å; L282-Y288 HydrophobicContact CD2-CD1 4.25Å; L282-Y288 HydrophobicContact CD2-CE1 3.6Å; L282-Y288 HydrophobicContact CD2-CE2 4.21Å; I283-Y288 PolarHBondContact N-OH 3.17Å; I283-Y288 PolarHBondContact O-OH 3.36Å; Y288-A292 VanDerWaalsContact CA-O 3.31Å; Y288-A292 WeakPolarHBondContact CA-O 3.18Å; Y288-L293 HydrophobicContact CD1-CB 4.42Å; Y288-L293 HydrophobicContact CE1-CB 3.97Å; Y288-L293 HydrophobicContact CE1-CD1 4.34Å; Y288-L293 HydrophobicContact CE2-CD1 4Å
289S96.4Very high97.3Very high20 Ų2048.7 Ų48.714%0.1427%0.269CS..EExtended strand (participates in β ladder)trans-147.1140.6171.3-170.10000110.1H235 C291 A292H235-S289 PolarHBondContact CD2-OG 2.95Å; H235-S289 VanDerWaalsContact CD2-OG 3.22Å; S289-C291 VanDerWaalsContact C-N 3.3Å; S289-C291 PolarHBondContact O-N 3.04Å; S289-A292 PolarHBondContact N-O 3.16Å; S289-A292 PolarHBondContact O-N 3.4Å; S289-A292 VanDerWaalsContact O-O 3.1Å
290N95Very high97.4Very high45 Ų4548.8 Ų48.824%0.24127%0.27CS..THydrogen-bonded Turntrans54.946.9-177.3-156.935.2000111.5W8 H9 K10 T272 A292W8-N290 PolarHBondContact O-ND2 3.04Å; H9-N290 WeakPolarHBondContact CA-OD1 3.33Å; K10-N290 WeakPolarHBondContact CD-O 3.22Å; K10-N290 PolarHBondContact N-OD1 3.19Å; T272-N290 PolarHBondContact OG1-N 3.13Å; N290-A292 PolarHBondContact O-N 2.98Å; N290-A292 VanDerWaalsContact O-N 3.16Å
291C96.3Very high97.5Very high3 Ų349.1 Ų49.12%0.0227%0.266CS..THydrogen-bonded Turntrans52.534.6-178.2-53.10000114.4T4 K10 Q271 T272 Y275 S289T4-C291 HydrophobicContact CG2-CB 3.43Å; T4-C291 VanDerWaalsContact CG2-CB 3.43Å; K10-C291 HydrophobicContact CB-CB 4Å; Q271-C291 PolarHBondContact O-SG 3.42Å; T272-C291 PolarHBondContact OG1-N 3.12Å; Y275-C291 HydrophobicContact CD1-CB 4.34Å; Y275-C291 HydrophobicContact CD2-CB 3.86Å; Y275-C291 HydrophobicContact CE2-CB 4.43Å; Y275-C291 HydrophobicContact CG-CB 3.79Å; S289-C291 VanDerWaalsContact C-N 3.3Å; S289-C291 PolarHBondContact O-N 3.04Å
292A96.7Very high97.6Very high23 Ų2347 Ų4719%0.1926%0.255CS..EExtended strand (participates in β ladder)trans-148.1151.2178.100000111.1Y288 S289 N290Y288-A292 VanDerWaalsContact CA-O 3.31Å; Y288-A292 WeakPolarHBondContact CA-O 3.18Å; S289-A292 PolarHBondContact N-O 3.16Å; S289-A292 PolarHBondContact O-N 3.4Å; S289-A292 VanDerWaalsContact O-O 3.1Å; N290-A292 PolarHBondContact O-N 2.98Å; N290-A292 VanDerWaalsContact O-N 3.16Å
293L97.9Very high97.7Very high75 Ų7551 Ų5139%0.39327%0.271SS..EExtended strand (participates in β ladder)trans-63.6139.5170.6-177.367.1000110.2I283 Y288I283-L293 HydrophobicContact CD1-CD2 3.65Å; I283-L293 HydrophobicContact CG1-CD2 4.4Å; Y288-L293 HydrophobicContact CD1-CB 4.42Å; Y288-L293 HydrophobicContact CE1-CB 3.97Å; Y288-L293 HydrophobicContact CE1-CD1 4.34Å; Y288-L293 HydrophobicContact CE2-CD1 4Å
294K97.5Very high97.7Very high96 Ų9651.5 Ų51.542%0.41728%0.275SS..EExtended strand (participates in β ladder)trans-137.5156.3179.9-61-61.9171.6-168.60110.7Y287 P296Y287-K294 HydrophobicContact CD1-CB 3.67Å; Y287-K294 HydrophobicContact CE1-CB 3.94Å; Y287-K294 PolarHBondContact O-N 2.88Å; K294-P296 WeakPolarHBondContact O-CD 3.27Å
295E97.4Very high97.6Very high120 Ų12051.4 Ų51.456%0.56127%0.269SS*.PPolyproline II helixtrans-76.4120.3175.2-70.1-58.1136.300111Y184 K301Y184-E295 WeakPolarHBondContact CE1-O 3.5Å; Y184-E295 PolarHBondContact OH-O 3.34Å; E295-K301 WeakPolarHBondContact OE2-CE 3.13Å; E295-K301 IonicContact OE2-NZ 3.55Å; E295-K301 PolarHBondContact OE2-NZ 3.11Å
296P97.8Very high97.6Very high22 Ų2251.3 Ų51.314%0.14326%0.264CS..PPolyproline II helixtrans-73.1169.8174.332.7-35.6000111.3V214 K294 V300V214-P296 HydrophobicContact CG1-CB 3.81Å; K294-P296 WeakPolarHBondContact O-CD 3.27Å; P296-V300 HydrophobicContact CB-CB 4.06Å; P296-V300 HydrophobicContact CB-CG1 4.03Å; P296-V300 HydrophobicContact CB-CG2 4.21Å; P296-V300 HydrophobicContact CG-CB 4.15Å; P296-V300 HydrophobicContact CG-CG1 3.88Å
297S97.2Very high97.6Very high12 Ų1255.7 Ų55.78%0.08428%0.282CS..PPolyproline II helixtrans-52.2145.3173.765.40000112.5H183 L211 I299 V300H183-S297 PolarHBondContact NE2-N 3.3Å; H183-S297 VanDerWaalsContact NE2-N 3.18Å; L211-S297 WeakPolarHBondContact CD1-OG 3.48Å; S297-I299 VanDerWaalsContact C-N 3.26Å; S297-I299 PolarHBondContact O-N 2.73Å; S297-I299 VanDerWaalsContact O-N 3.13Å; S297-V300 VanDerWaalsContact O-CB 3.27Å; S297-V300 WeakPolarHBondContact O-CB 3.39Å; S297-V300 PolarHBondContact O-N 2.91Å; S297-V300 WeakPolarHBondContact OG-CG2 3.4Å
298T97.6Very high97.5Very high122 Ų12259 Ų5975%0.74829%0.294SS*.Hα-helixtrans-56.1-34.9-172.750.30000114.3V300 K301T298-V300 PolarHBondContact O-N 2.63Å; T298-K301 WeakPolarHBondContact O-CB 3.48Å; T298-K301 PolarHBondContact O-N 3.13Å
299I98.1Very high97.5Very high51 Ų5158.9 Ų58.926%0.26229%0.294SS..Hα-helixtrans-60.1-29.7177-168.3169.5000112.8L188 L211 S297 K301 N302 E305L188-I299 HydrophobicContact CD1-CD1 3.86Å; L188-I299 HydrophobicContact CD1-CG1 4.41Å; L188-I299 HydrophobicContact CG-CD1 3.9Å; L211-I299 HydrophobicContact CD1-CG2 3.75Å; L211-I299 HydrophobicContact CD2-CG2 3.94Å; L211-I299 HydrophobicContact CG-CG2 4.46Å; S297-I299 VanDerWaalsContact C-N 3.26Å; S297-I299 PolarHBondContact O-N 2.73Å; S297-I299 VanDerWaalsContact O-N 3.13Å; I299-K301 PolarHBondContact O-N 2.79Å; I299-N302 WeakPolarHBondContact O-CB 3.34Å; I299-N302 PolarHBondContact O-N 2.94Å; I299-N302 VanDerWaalsContact O-N 3.11Å; I299-E305 HydrophobicContact CG1-CB 4.35Å; I299-E305 HydrophobicContact CG1-CG 4.33Å
300V98.4Very high97.6Very high2 Ų258 Ų581%0.01229%0.287CS..Hα-helixtrans-63.9-29.4176.3174.30000111.7L211 V214 M215 V218 P296 S297 T298 N302 R306L211-V300 HydrophobicContact CD1-CG2 3.65Å; V214-V300 HydrophobicContact CB-CG2 4.15Å; V214-V300 HydrophobicContact CG1-CB 4.46Å; V214-V300 HydrophobicContact CG1-CG1 3.86Å; V214-V300 HydrophobicContact CG1-CG2 3.82Å; M215-V300 HydrophobicContact CG-CG2 4.26Å; M215-V300 VanDerWaalsContact SD-CA 3.53Å; M215-V300 HydrophobicContact SD-CB 4.13Å; M215-V300 HydrophobicContact SD-CG2 3.79Å; V218-V300 HydrophobicContact CB-CG1 4.18Å; V218-V300 HydrophobicContact CG2-CG1 3.52Å; P296-V300 HydrophobicContact CB-CB 4.06Å; P296-V300 HydrophobicContact CB-CG1 4.03Å; P296-V300 HydrophobicContact CB-CG2 4.21Å; P296-V300 HydrophobicContact CG-CB 4.15Å; P296-V300 HydrophobicContact CG-CG1 3.88Å; S297-V300 VanDerWaalsContact O-CB 3.27Å; S297-V300 WeakPolarHBondContact O-CB 3.39Å; S297-V300 PolarHBondContact O-N 2.91Å; S297-V300 WeakPolarHBondContact OG-CG2 3.4Å; T298-V300 PolarHBondContact O-N 2.63Å; V300-N302 VanDerWaalsContact C-N 3.3Å; V300-R306 WeakPolarHBondContact O-CD 3.4Å; V300-R306 PolarHBondContact O-NH1 3.29Å
301K97.5Very high97.7Very high120 Ų12058.6 Ų58.652%0.52230%0.295SS..Hα-helixtrans-78-17.7179-56-177.7179.1-173.30112.3E295 T298 I299 K303 R306E295-K301 WeakPolarHBondContact OE2-CE 3.13Å; E295-K301 IonicContact OE2-NZ 3.55Å; E295-K301 PolarHBondContact OE2-NZ 3.11Å; T298-K301 WeakPolarHBondContact O-CB 3.48Å; T298-K301 PolarHBondContact O-N 3.13Å; I299-K301 PolarHBondContact O-N 2.79Å; K301-K303 PolarHBondContact O-N 2.75Å; K301-R306 PolarHBondContact O-NH1 3.04Å
302N98.1Very high97.8Very high71 Ų7159.6 Ų59.638%0.3830%0.299SS..  trans-75.3110178.3-175.1-37.7000110.5I299 V300 D304 E305 R306I299-N302 WeakPolarHBondContact O-CB 3.34Å; I299-N302 PolarHBondContact O-N 2.94Å; I299-N302 VanDerWaalsContact O-N 3.11Å; V300-N302 VanDerWaalsContact C-N 3.3Å; N302-D304 PolarHBondContact O-N 2.86Å; N302-D304 PolarHBondContact OD1-N 3.29Å; N302-E305 HydrophobicContact CB-CB 4.11Å; N302-E305 HydrophobicContact CB-CG 4.16Å; N302-E305 PolarHBondContact O-N 2.75Å; N302-E305 PolarHBondContact OD1-N 3.43Å; N302-R306 WeakPolarHBondContact O-CG 3.28Å; N302-R306 PolarHBondContact O-N 3.2Å; N302-R306 VanDerWaalsContact O-N 3.12Å
303K98.1Very high97.9Very high108 Ų10858.5 Ų58.547%0.4729%0.29SS..Hα-helixtrans-64.2-36.7-177.4-169.5173.9-169.6173.50113.2K301 R306 K307K301-K303 PolarHBondContact O-N 2.75Å; K303-R306 PolarHBondContact O-N 3.04Å; K303-K307 WeakPolarHBondContact O-CG 3.15Å; K303-K307 PolarHBondContact O-N 2.88Å
304D98.1Very high97.9Very high116 Ų11655.1 Ų55.162%0.6227%0.273SS*.Hα-helixtrans-72-39.4-178.2-62.2-33.7000111.1N302 R306 K307 W308N302-D304 PolarHBondContact O-N 2.86Å; N302-D304 PolarHBondContact OD1-N 3.29Å; D304-R306 VanDerWaalsContact C-N 3.32Å; D304-R306 PolarHBondContact O-N 3.06Å; D304-K307 PolarHBondContact O-N 3.39Å; D304-W308 WeakPolarHBondContact O-CB 3Å; D304-W308 PolarHBondContact O-N 3.45Å
305E98.2Very high97.9Very high45 Ų4556.3 Ų56.321%0.2128%0.28CS..Hα-helixtrans-63.6-37.2172-70.4-67172.200111.8L188 K190 M215 I299 N302 F309L188-E305 HydrophobicContact CD1-CB 4.06Å; L188-E305 WeakPolarHBondContact CD1-OE2 3.43Å; K190-E305 WeakPolarHBondContact CE-OE2 3.37Å; K190-E305 VanDerWaalsContact NZ-CD 3.32Å; K190-E305 IonicContact NZ-OE1 2.94Å; K190-E305 PolarHBondContact NZ-OE1 2.79Å; K190-E305 IonicContact NZ-OE2 2.86Å; K190-E305 PolarHBondContact NZ-OE2 3.31Å; M215-E305 HydrophobicContact CE-CB 4.37Å; I299-E305 HydrophobicContact CG1-CB 4.35Å; I299-E305 HydrophobicContact CG1-CG 4.33Å; N302-E305 HydrophobicContact CB-CB 4.11Å; N302-E305 HydrophobicContact CB-CG 4.16Å; N302-E305 PolarHBondContact O-N 2.75Å; N302-E305 PolarHBondContact OD1-N 3.43Å; E305-F309 WeakPolarHBondContact O-CB 3.33Å; E305-F309 PolarHBondContact O-N 2.95Å
306R98Very high97.9Very high11 Ų1152.3 Ų52.34%0.04226%0.262CS..Hα-helixtrans-65.7-45.1174.2-69.8-162.6-52.1-88.74.2113.1M215 E219 E222 V300 K301 N302 K303 D304 F309 W310M215-R306 HydrophobicContact CE-CB 4.11Å; M215-R306 HydrophobicContact CE-CG 3.55Å; M215-R306 HydrophobicContact SD-CG 4.04Å; E219-R306 HydrophobicContact CB-CB 4.35Å; E219-R306 VanDerWaalsContact OE2-CB 3.28Å; E219-R306 WeakPolarHBondContact OE2-CB 3.48Å; E219-R306 IonicContact OE2-NE 3.05Å; E219-R306 PolarHBondContact OE2-NE 3.05Å; E222-R306 IonicContact OE1-CZ 2.81Å; E222-R306 IonicContact OE1-NH2 3.6Å; E222-R306 PolarHBondContact OE1-NH2 3.48Å; E222-R306 IonicContact OE2-CZ 3.47Å; E222-R306 IonicContact OE2-NE 3.59Å; E222-R306 IonicContact OE2-NH2 2.72Å; E222-R306 PolarHBondContact OE2-NH2 3.35Å; V300-R306 WeakPolarHBondContact O-CD 3.4Å; V300-R306 PolarHBondContact O-NH1 3.29Å; K301-R306 PolarHBondContact O-NH1 3.04Å; N302-R306 WeakPolarHBondContact O-CG 3.28Å; N302-R306 PolarHBondContact O-N 3.2Å; N302-R306 VanDerWaalsContact O-N 3.12Å; K303-R306 PolarHBondContact O-N 3.04Å; D304-R306 VanDerWaalsContact C-N 3.32Å; D304-R306 PolarHBondContact O-N 3.06Å; R306-F309 WeakPolarHBondContact O-CB 3.48Å; R306-F309 PolarHBondContact O-N 3.06Å; R306-W310 WeakPolarHBondContact O-CB 3.42Å; R306-W310 PolarHBondContact O-N 3.43Å
307K97.8Very high97.9Very high99 Ų9951.3 Ų51.343%0.4326%0.256SS..Hα-helixtrans-61.8-44.4176.2-75.4178174.9-177.30111.9K303 D304 W310 S311K303-K307 WeakPolarHBondContact O-CG 3.15Å; K303-K307 PolarHBondContact O-N 2.88Å; D304-K307 PolarHBondContact O-N 3.39Å; K307-W310 PolarHBondContact O-N 2.9Å; K307-S311 WeakPolarHBondContact O-CB 3.35Å; K307-S311 PolarHBondContact O-N 2.92Å
308W97.8Very high97.8Very high75 Ų7561.5 Ų61.528%0.28429%0.292SS..Hα-helixtrans-60.9-48.7175173.282.8000111.1L188 K190 P191 L193 D304 W310 S311 K312L188-W308 HydrophobicContact CB-CZ3 4.06Å; L188-W308 HydrophobicContact CD1-CE3 4.22Å; L188-W308 HydrophobicContact CD1-CZ3 4.14Å; K190-W308 HydrophobicContact CB-CH2 4.39Å; K190-W308 HydrophobicContact CB-CZ2 4.35Å; K190-W308 HydrophobicContact CD-CH2 4.21Å; K190-W308 HydrophobicContact CD-CZ2 4.09Å; K190-W308 HydrophobicContact CG-CH2 3.6Å; K190-W308 HydrophobicContact CG-CZ2 3.78Å; K190-W308 HydrophobicContact CG-CZ3 4.18Å; P191-W308 VanDerWaalsContact O-CZ2 3.31Å; P191-W308 WeakPolarHBondContact O-CZ2 3.25Å; L193-W308 HydrophobicContact CD2-CH2 3.6Å; L193-W308 HydrophobicContact CD2-CZ3 3.51Å; L193-W308 HydrophobicContact CG-CH2 4.22Å; L193-W308 HydrophobicContact CG-CZ3 4.48Å; D304-W308 WeakPolarHBondContact O-CB 3Å; D304-W308 PolarHBondContact O-N 3.45Å; W308-W310 VanDerWaalsContact C-N 3.33Å; W308-W310 PolarHBondContact O-N 3.37Å; W308-S311 PolarHBondContact O-N 3.5Å; W308-K312 HydrophobicContact CZ2-CB 4.35Å; W308-K312 HydrophobicContact CZ2-CG 4.22Å; W308-K312 WeakPolarHBondContact O-CB 3.39Å; W308-K312 PolarHBondContact O-N 3.05Å
309F98.3Very high97.5Very high0 Ų057.1 Ų57.10%026%0.264CS..Hα-helixtrans-56.5-45178164-95.6000112.4H153 L188 L193 A212 M215 H216 E305 R306 T313H153-F309 AromaticContact CE1-CE1 3.97Å; H153-F309 AromaticContact CE1-CE2 3.83Å; H153-F309 AromaticContact CE1-CZ 3.14Å; H153-F309 WeakPolarHBondContact CE1-CZ 3.39Å; H153-F309 AromaticContact ND1-CZ 3.9Å; H153-F309 AromaticContact NE2-CE2 3.61Å; H153-F309 AromaticContact NE2-CZ 3.39Å; H153-F309 WeakPolarHBondContact NE2-CZ 3.16Å; L188-F309 HydrophobicContact CD2-CD2 3.83Å; L188-F309 HydrophobicContact CD2-CE2 4.44Å; L193-F309 HydrophobicContact CD1-CD2 3.88Å; L193-F309 HydrophobicContact CD1-CE2 4.08Å; L193-F309 HydrophobicContact CD2-CD2 3.83Å; L193-F309 HydrophobicContact CD2-CE2 4.41Å; A212-F309 HydrophobicContact CB-CE2 3.59Å; A212-F309 HydrophobicContact CB-CZ 3.79Å; A212-F309 VanDerWaalsContact O-CZ 3.28Å; A212-F309 WeakPolarHBondContact O-CZ 3.42Å; M215-F309 HydrophobicContact CB-CD1 3.77Å; M215-F309 HydrophobicContact CB-CD2 4.48Å; M215-F309 HydrophobicContact CB-CE1 3.58Å; M215-F309 HydrophobicContact CB-CE2 4.32Å; M215-F309 HydrophobicContact CB-CG 4.19Å; M215-F309 HydrophobicContact CB-CZ 3.84Å; M215-F309 HydrophobicContact CE-CB 4.01Å; M215-F309 HydrophobicContact CE-CG 4.26Å; H216-F309 HydrophobicContact CB-CE1 4.15Å; H216-F309 HydrophobicContact CB-CZ 4.39Å; E305-F309 WeakPolarHBondContact O-CB 3.33Å; E305-F309 PolarHBondContact O-N 2.95Å; R306-F309 WeakPolarHBondContact O-CB 3.48Å; R306-F309 PolarHBondContact O-N 3.06Å; F309-T313 WeakPolarHBondContact O-CB 3.44Å; F309-T313 PolarHBondContact O-N 3.28Å; F309-T313 PolarHBondContact O-OG1 2.92Å
310W98Very high96.7Very high1 Ų162.3 Ų62.30%0.00429%0.287CS..Hα-helixtrans-62.8-55.3177.5-176.9-82.7000111.5F157 E161 H216 E219 L220 R223 R306 K307 W308 K312 T313 C314 T323F157-W310 HydrophobicContact CE2-CD2 4.22Å; F157-W310 AromaticContact CE2-CE3 3.69Å; F157-W310 HydrophobicContact CE2-CE3 3.69Å; F157-W310 AromaticContact CE2-CH2 3.97Å; F157-W310 HydrophobicContact CE2-CH2 3.97Å; F157-W310 HydrophobicContact CE2-CZ2 4.47Å; F157-W310 AromaticContact CE2-CZ3 3.56Å; F157-W310 HydrophobicContact CE2-CZ3 3.56Å; F157-W310 AromaticContact CZ-CD2 3.97Å; F157-W310 HydrophobicContact CZ-CD2 3.97Å; F157-W310 AromaticContact CZ-CE2 3.94Å; F157-W310 AromaticContact CZ-CE3 3.87Å; F157-W310 HydrophobicContact CZ-CE3 3.87Å; F157-W310 AromaticContact CZ-CH2 3.7Å; F157-W310 HydrophobicContact CZ-CH2 3.7Å; F157-W310 AromaticContact CZ-CZ2 3.8Å; F157-W310 HydrophobicContact CZ-CZ2 3.8Å; F157-W310 AromaticContact CZ-CZ3 3.75Å; F157-W310 HydrophobicContact CZ-CZ3 3.75Å; E161-W310 WeakPolarHBondContact OE1-CH2 3.47Å; H216-W310 AromaticContact CD2-CZ3 3.89Å; E219-W310 HydrophobicContact CB-CE3 4Å; E219-W310 HydrophobicContact CG-CB 3.93Å; E219-W310 HydrophobicContact CG-CD2 3.89Å; E219-W310 HydrophobicContact CG-CE3 3.46Å; E219-W310 VanDerWaalsContact CG-CE3 3.46Å; E219-W310 HydrophobicContact CG-CG 4.09Å; E219-W310 HydrophobicContact CG-CZ3 4.3Å; L220-W310 HydrophobicContact CB-CH2 4.48Å; L220-W310 HydrophobicContact CB-CZ3 4.05Å; L220-W310 HydrophobicContact CD1-CH2 3.75Å; L220-W310 HydrophobicContact CD1-CZ3 4.18Å; R223-W310 VanDerWaalsContact CZ-NE1 3.26Å; R223-W310 VanDerWaalsContact NE-CD2 3.32Å; R223-W310 VanDerWaalsContact NE-CE2 3.29Å; R223-W310 VanDerWaalsContact NH2-CD1 3.26Å; R306-W310 WeakPolarHBondContact O-CB 3.42Å; R306-W310 PolarHBondContact O-N 3.43Å; K307-W310 PolarHBondContact O-N 2.9Å; W308-W310 VanDerWaalsContact C-N 3.33Å; W308-W310 PolarHBondContact O-N 3.37Å; W310-K312 VanDerWaalsContact C-N 3.26Å; W310-K312 PolarHBondContact O-N 3.24Å; W310-T313 PolarHBondContact O-N 3Å; W310-C314 PolarHBondContact NE1-SG 2.94Å; W310-C314 VanDerWaalsContact NE1-SG 3.43Å; W310-C314 PolarHBondContact O-N 3.35Å; W310-T323 WeakPolarHBondContact CZ2-OG1 3.46Å
311S97.4Very high94.8Very high59 Ų5967.3 Ų67.341%0.41331%0.314SS..Hα-helixtrans-55.7-44.5-179.3-166.50000111K307 W308 T313 C314 E315K307-S311 WeakPolarHBondContact O-CB 3.35Å; K307-S311 PolarHBondContact O-N 2.92Å; W308-S311 PolarHBondContact O-N 3.5Å; S311-T313 PolarHBondContact O-N 3.12Å; S311-C314 PolarHBondContact O-N 2.86Å; S311-E315 WeakPolarHBondContact O-CB 3.39Å; S311-E315 PolarHBondContact O-N 3.02Å
312K98.1Very high92.6Very high24 Ų2466.7 Ų66.710%0.10432%0.32CS..Hα-helixtrans-68-36.3178.7-170.761.2-175.9179.70112.8P191 D192 L193 W308 W310 E315 L316P191-K312 WeakPolarHBondContact O-CE 3.38Å; P191-K312 WeakPolarHBondContact O-CG 3.39Å; D192-K312 WeakPolarHBondContact OD1-CE 3.32Å; D192-K312 IonicContact OD1-NZ 2.9Å; D192-K312 PolarHBondContact OD1-NZ 3.27Å; L193-K312 HydrophobicContact CD1-CG 4.45Å; L193-K312 HydrophobicContact CG-CG 4.42Å; W308-K312 HydrophobicContact CZ2-CB 4.35Å; W308-K312 HydrophobicContact CZ2-CG 4.22Å; W308-K312 WeakPolarHBondContact O-CB 3.39Å; W308-K312 PolarHBondContact O-N 3.05Å; W310-K312 VanDerWaalsContact C-N 3.26Å; W310-K312 PolarHBondContact O-N 3.24Å; K312-E315 WeakPolarHBondContact CD-OE2 3.31Å; K312-E315 IonicContact NZ-OE1 2.73Å; K312-E315 PolarHBondContact NZ-OE1 3.46Å; K312-E315 IonicContact NZ-OE2 3.46Å; K312-E315 PolarHBondContact NZ-OE2 3.33Å; K312-E315 PolarHBondContact O-N 3.25Å; K312-L316 HydrophobicContact CD-CG 4.49Å; K312-L316 HydrophobicContact CG-CD1 4.18Å; K312-L316 WeakPolarHBondContact O-CB 3.15Å; K312-L316 VanDerWaalsContact O-CG 3.25Å; K312-L316 WeakPolarHBondContact O-CG 3.4Å; K312-L316 PolarHBondContact O-N 3.06Å
313T98.3Very high90.3Very high0 Ų066.2 Ų66.20%032%0.32CS..Hα-helixtrans-64.3-45.5174.4-600000111H153 F154 F157 L193 F309 W310 S311 L316 L317H153-T313 WeakPolarHBondContact NE2-CG2 3.45Å; H153-T313 PolarHBondContact NE2-OG1 2.89Å; F154-T313 HydrophobicContact CD1-CG2 4.16Å; F154-T313 HydrophobicContact CE1-CG2 4.37Å; F157-T313 HydrophobicContact CB-CG2 4.12Å; F157-T313 HydrophobicContact CD1-CG2 3.63Å; F157-T313 HydrophobicContact CD2-CG2 3.59Å; F157-T313 HydrophobicContact CE1-CG2 3.84Å; F157-T313 HydrophobicContact CE2-CG2 3.8Å; F157-T313 HydrophobicContact CG-CG2 3.5Å; F157-T313 VanDerWaalsContact CG-CG2 3.5Å; F157-T313 HydrophobicContact CZ-CG2 3.92Å; L193-T313 WeakPolarHBondContact CD1-OG1 3.43Å; F309-T313 WeakPolarHBondContact O-CB 3.44Å; F309-T313 PolarHBondContact O-N 3.28Å; F309-T313 PolarHBondContact O-OG1 2.92Å; W310-T313 PolarHBondContact O-N 3Å; S311-T313 PolarHBondContact O-N 3.12Å; T313-L316 PolarHBondContact O-N 3.47Å; T313-L317 HydrophobicContact CG2-CD1 3.81Å; T313-L317 WeakPolarHBondContact O-CB 3.39Å; T313-L317 WeakPolarHBondContact O-CG 3.16Å; T313-L317 PolarHBondContact O-N 3.46Å
314C98Very high89.9Confident4 Ų464.2 Ų64.23%0.02731%0.313CS..Hα-helixtrans-60.8-44175.3-68.70000112.4W310 S311 L317 R318 I319W310-C314 PolarHBondContact NE1-SG 2.94Å; W310-C314 VanDerWaalsContact NE1-SG 3.43Å; W310-C314 PolarHBondContact O-N 3.35Å; S311-C314 PolarHBondContact O-N 2.86Å; C314-L317 CarbonylContact O-C 3.54Å; C314-L317 PolarHBondContact O-N 2.89Å; C314-R318 WeakPolarHBondContact O-CA 3.03Å; C314-R318 PolarHBondContact O-N 3.38Å; C314-I319 HydrophobicContact CB-CB 4.44Å; C314-I319 PolarHBondContact O-N 2.89Å
315E97.4Very high89.4Confident120 Ų12061.4 Ų61.456%0.56130%0.296SS*.Hα-helixtrans-56.9-52.1176.4-176.2-159.8130.900111.2S311 K312 L317 R318S311-E315 WeakPolarHBondContact O-CB 3.39Å; S311-E315 PolarHBondContact O-N 3.02Å; K312-E315 WeakPolarHBondContact CD-OE2 3.31Å; K312-E315 IonicContact NZ-OE1 2.73Å; K312-E315 PolarHBondContact NZ-OE1 3.46Å; K312-E315 IonicContact NZ-OE2 3.46Å; K312-E315 PolarHBondContact NZ-OE2 3.33Å; K312-E315 PolarHBondContact O-N 3.25Å; E315-L317 VanDerWaalsContact C-N 3.27Å; E315-L317 PolarHBondContact O-N 2.92Å; E315-R318 PolarHBondContact O-N 2.94Å; E315-R318 VanDerWaalsContact O-N 3.16Å
316L97.8Very high88.9Confident36 Ų3662.3 Ų62.319%0.18830%0.301CS..Hα-helixtrans-62.6-35.1-179.4-70.8170.1000112.2F145 F154 D192 K312 T313F145-L316 HydrophobicContact CE1-CB 4.2Å; F145-L316 WeakPolarHBondContact CZ-O 3.36Å; F154-L316 HydrophobicContact CE1-CB 4.37Å; F154-L316 HydrophobicContact CE1-CD1 3.75Å; F154-L316 HydrophobicContact CZ-CD1 3.7Å; D192-L316 HydrophobicContact CB-CD2 4.45Å; D192-L316 WeakPolarHBondContact O-CD1 2.96Å; K312-L316 HydrophobicContact CD-CG 4.49Å; K312-L316 HydrophobicContact CG-CD1 4.18Å; K312-L316 WeakPolarHBondContact O-CB 3.15Å; K312-L316 VanDerWaalsContact O-CG 3.25Å; K312-L316 WeakPolarHBondContact O-CG 3.4Å; K312-L316 PolarHBondContact O-N 3.06Å; T313-L316 PolarHBondContact O-N 3.47Å
317L98Very high88.4Confident2 Ų265.4 Ų65.41%0.0132%0.317CS..Hα-helixtrans-88-4.5179.6-69.5176.2000114.2L107 F145 F154 F157 L158 T313 C314 E315 I319L107-L317 HydrophobicContact CD1-CD2 4.02Å; L107-L317 HydrophobicContact CD2-CD2 3.68Å; F145-L317 HydrophobicContact CE2-CD2 4.23Å; F145-L317 HydrophobicContact CZ-CD2 4.3Å; F154-L317 HydrophobicContact CB-CD2 4.05Å; F154-L317 HydrophobicContact CD1-CD1 4.49Å; F154-L317 HydrophobicContact CD1-CD2 4.46Å; F154-L317 HydrophobicContact CD1-CG 4.34Å; F157-L317 HydrophobicContact CB-CD1 4.09Å; F157-L317 HydrophobicContact CD1-CD1 3.49Å; F157-L317 VanDerWaalsContact CD1-CD1 3.49Å; F157-L317 HydrophobicContact CE1-CD1 4.29Å; F157-L317 HydrophobicContact CG-CD1 4.11Å; L158-L317 HydrophobicContact CB-CD1 4.17Å; L158-L317 HydrophobicContact CB-CD2 4.48Å; T313-L317 HydrophobicContact CG2-CD1 3.81Å; T313-L317 WeakPolarHBondContact O-CB 3.39Å; T313-L317 WeakPolarHBondContact O-CG 3.16Å; T313-L317 PolarHBondContact O-N 3.46Å; C314-L317 CarbonylContact O-C 3.54Å; C314-L317 PolarHBondContact O-N 2.89Å; E315-L317 VanDerWaalsContact C-N 3.27Å; E315-L317 PolarHBondContact O-N 2.92Å; L317-I319 VanDerWaalsContact C-N 3.27Å; L317-I319 HydrophobicContact CB-CD1 3.71Å; L317-I319 HydrophobicContact CB-CG1 3.78Å; L317-I319 HydrophobicContact CD1-CD1 3.85Å; L317-I319 HydrophobicContact CG-CD1 4.45Å; L317-I319 PolarHBondContact O-N 3.36Å
318R95.3Very high87.8Confident225 Ų22563.3 Ų63.385%0.84931%0.309SS*.THydrogen-bonded Turntrans52.246.2-173.9-53178.2-176.3176.10.2111.8C314 E315C314-R318 WeakPolarHBondContact O-CA 3.03Å; C314-R318 PolarHBondContact O-N 3.38Å; E315-R318 PolarHBondContact O-N 2.94Å; E315-R318 VanDerWaalsContact O-N 3.16Å
319I91.7Very high87.2Confident30 Ų3062.5 Ų62.515%0.15431%0.311CS..  trans-95.4123.8173.8-60.8171.6000107.1F157 L158 E161 C314 L317 N321F157-I319 HydrophobicContact CD1-CD1 4.01Å; F157-I319 HydrophobicContact CE1-CD1 3.94Å; L158-I319 HydrophobicContact CD1-CD1 3.74Å; L158-I319 HydrophobicContact CD1-CG1 4.05Å; E161-I319 HydrophobicContact CB-CD1 4.24Å; E161-I319 HydrophobicContact CG-CD1 4.12Å; C314-I319 HydrophobicContact CB-CB 4.44Å; C314-I319 PolarHBondContact O-N 2.89Å; L317-I319 VanDerWaalsContact C-N 3.27Å; L317-I319 HydrophobicContact CB-CD1 3.71Å; L317-I319 HydrophobicContact CB-CG1 3.78Å; L317-I319 HydrophobicContact CD1-CD1 3.85Å; L317-I319 HydrophobicContact CG-CD1 4.45Å; L317-I319 PolarHBondContact O-N 3.36Å; I319-N321 PolarHBondContact O-N 2.73Å
320E80.4Confident86.4Confident161 Ų16166.9 Ų66.975%0.75233%0.333SS*.  trans-63.1127.8169.5-67.4-178.9178.100108.7T322E320-T322 VanDerWaalsContact C-N 3.29Å; E320-T322 HydrophobicContact CB-CG2 4.09Å; E320-T322 PolarHBondContact O-N 2.98Å; E320-T322 PolarHBondContact O-OG1 3.46Å
321N57.6Low85.5Confident106 Ų10672 Ų7257%0.56736%0.359SS*.  trans-6089.7178.1-79.9-29.2000109.7I319I319-N321 PolarHBondContact O-N 2.73Å
322T51.6Low84.5Confident107 Ų10773.1 Ų73.166%0.65635%0.354SS*.  trans-121.66.5-173.644.30000113.2E320E320-T322 VanDerWaalsContact C-N 3.29Å; E320-T322 HydrophobicContact CB-CG2 4.09Å; E320-T322 PolarHBondContact O-N 2.98Å; E320-T322 PolarHBondContact O-OG1 3.46Å
323T49.6Very low83.2Confident62 Ų6277.5 Ų77.538%0.3838%0.377SS..  trans-101.10169.553.50000112.4E161 L164 R223 W310E161-T323 VanDerWaalsContact OE2-CG2 3.28Å; E161-T323 WeakPolarHBondContact OE2-CG2 3.39Å; L164-T323 HydrophobicContact CD1-CG2 3.49Å; L164-T323 VanDerWaalsContact CD1-CG2 3.49Å; R223-T323 PolarHBondContact NH1-O 2.98Å; W310-T323 WeakPolarHBondContact CZ2-OG1 3.46Å

Retrieved 323 of 323 residues in 93.1 ms (Link to these results)

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