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Alpha-enolase

Enolase that catalyzes the conversion of 2-phosphoglycerate to phosphoenolpyruvate in glycolysis and the reverse reaction in gluconeogenesis1,2. Also involved in various processes such as growth control, hypoxia tolerance and allergic responses3,4,5,6. May also function in the intravascular and pericellular fibrinolytic system due to its ability to serve as a receptor and activator of plasminogen on the cell surface of several cell-types such as leukocytes and neurons7. Stimulates immunoglobulin production8. Binds to the myc promoter and acts as a transcriptional repressor. May be a tumor suppressor.

AlphaFold DB , UniProt , Accession P06733, Species HUMAN (Homo sapiens, Human), Gene ENO1, Length 434 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
1M82.8Confident96Very high34 Ų3448 Ų4817%0.16723%0.232CC..  0153.20-64.2164-58.100109.6S27 K28 N83 V84 E125M1-S27 PolarHBondContact SD-OG 3.3Å; M1-K28 HydrophobicContact CE-CB 3.85Å; M1-K28 HydrophobicContact CE-CD 4.41Å; M1-K28 HydrophobicContact CE-CG 3.16Å; M1-K28 HydrophobicContact SD-CB 4.44Å; M1-K28 HydrophobicContact SD-CD 4.37Å; M1-K28 HydrophobicContact SD-CG 3.48Å; M1-K28 WeakPolarHBondContact SD-CG 3.49Å; M1-N83 PolarHBondContact N-ND2 2.87Å; M1-N83 PolarHBondContact N-OD1 2.87Å; M1-N83 WeakPolarHBondContact O-CA 3.33Å; M1-N83 PolarHBondContact O-OD1 3.09Å; M1-V84 PolarHBondContact O-N 2.78Å; M1-V84 VanDerWaalsContact O-N 3.08Å; M1-E125 HydrophobicContact CE-CB 3.77Å; M1-E125 HydrophobicContact CE-CG 4.17Å; M1-E125 WeakPolarHBondContact CE-OE2 3.44Å; M1-E125 WeakPolarHBondContact CG-OE1 3.31Å; M1-E125 WeakPolarHBondContact CG-OE2 3.36Å; M1-E125 VanDerWaalsContact N-CD 3.26Å; M1-E125 PolarHBondContact N-OE1 3.22Å
2S87.4Confident96.2Very high46 Ų4652.8 Ų52.832%0.32225%0.252SS..BIsolated β-bridgetrans-79.6156.6173.756.50000112.5L82S2-L82 WeakPolarHBondContact CA-O 3.39Å
3I97.1Very high96.4Very high6 Ų649.5 Ų49.53%0.03124%0.236CC..  trans-71.7128.7173.1-57.5169.2000108.9I6 L24 L77 V78 V84 I90 V118I3-I6 HydrophobicContact CD1-CD1 4.34Å; I3-I6 HydrophobicContact CG2-CD1 3.88Å; I3-I6 HydrophobicContact CG2-CG1 3.67Å; I3-L24 HydrophobicContact CD1-CD1 4.03Å; I3-L24 HydrophobicContact CG1-CD1 4.13Å; I3-L24 HydrophobicContact CG1-CD2 4.38Å; I3-L24 HydrophobicContact CG2-CD1 4.28Å; I3-L24 HydrophobicContact CG2-CD2 4.36Å; I3-L24 HydrophobicContact CG2-CG 4.03Å; I3-L77 HydrophobicContact CD1-CB 4.2Å; I3-V78 HydrophobicContact CG2-CG2 3.94Å; I3-V84 HydrophobicContact CD1-CG1 4.39Å; I3-V84 HydrophobicContact CG1-CG1 3.63Å; I3-I90 HydrophobicContact CD1-CD1 4.39Å; I3-V118 HydrophobicContact CD1-CG2 4.37Å
4L97.7Very high96.5Very high103 Ų10347.7 Ų47.754%0.53923%0.232SC..  trans-94.1-38.9178.6-60.7-179.3000112.2F25L4-F25 PolarHBondContact N-O 3.01Å
5K98.2Very high96.6Very high115 Ų11548.6 Ų48.650%0.523%0.232SC..EExtended strand (participates in β ladder)trans-156145.9-179.7179.5178.6178.2-178.70109.3F25K5-F25 HydrophobicContact CB-CB 4.06Å; K5-F25 HydrophobicContact CB-CD2 3.89Å; K5-F25 HydrophobicContact CB-CG 4.23Å; K5-F25 HydrophobicContact CD-CD2 4.17Å; K5-F25 HydrophobicContact CD-CE2 4.29Å; K5-F25 HydrophobicContact CG-CD2 4.04Å; K5-F25 HydrophobicContact CG-CE2 4.49Å; K5-F25 PolarHBondContact O-N 3.17Å
6I98.7Very high96.6Very high11 Ų1148.3 Ų48.36%0.05625%0.246CC..EExtended strand (participates in β ladder)trans-124.2138.5164.8-66.7164.9000106.7I3 V22 D23 L24 I69 A74 L77 V114I3-I6 HydrophobicContact CD1-CD1 4.34Å; I3-I6 HydrophobicContact CG2-CD1 3.88Å; I3-I6 HydrophobicContact CG2-CG1 3.67Å; I6-V22 HydrophobicContact CG2-CG1 3.72Å; I6-D23 CarbonylContact C-O 3.52Å; I6-D23 WeakPolarHBondContact CA-O 3.24Å; I6-L24 HydrophobicContact CD1-CD1 4.29Å; I6-L24 HydrophobicContact CG1-CB 4.42Å; I6-L24 HydrophobicContact CG1-CD1 4.11Å; I6-L24 HydrophobicContact CG1-CG 4.03Å; I6-I69 HydrophobicContact CG2-CG2 3.74Å; I6-A74 HydrophobicContact CB-CB 3.64Å; I6-A74 HydrophobicContact CG2-CB 4.03Å; I6-L77 HydrophobicContact CD1-CB 4.13Å; I6-L77 HydrophobicContact CD1-CD1 3.85Å; I6-V114 HydrophobicContact CD1-CG1 4Å; I6-V114 HydrophobicContact CG2-CG2 4.35Å
7H98.8Very high96.7Very high66 Ų6647.2 Ų47.231%0.30624%0.241SC..EExtended strand (participates in β ladder)trans-140.6125.7174.2178.855.5000110R9 D23 N70H7-R9 PolarHBondContact CD2-NH2 2.88Å; H7-D23 PolarHBondContact N-O 3.06Å; H7-D23 PolarHBondContact O-N 3.28Å; H7-N70 WeakPolarHBondContact CA-OD1 3.4Å; H7-N70 PolarHBondContact ND1-OD1 2.99Å; H7-N70 VanDerWaalsContact ND1-OD1 3.14Å
8A98.9Very high96.8Very high1 Ų144.6 Ų44.61%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-103.6150.7174.200000111.7E21 V22 V66 I69 N70A8-E21 CarbonylContact C-O 3.55Å; A8-E21 WeakPolarHBondContact CA-O 3.33Å; A8-V22 HydrophobicContact CB-CG2 4.17Å; A8-V66 HydrophobicContact CB-CG1 4.11Å; A8-V66 WeakPolarHBondContact O-CG1 3.3Å; A8-I69 HydrophobicContact CB-CB 3.66Å; A8-I69 HydrophobicContact CB-CD1 3.59Å; A8-I69 HydrophobicContact CB-CG1 4.26Å; A8-I69 HydrophobicContact CB-CG2 3.64Å; A8-N70 PolarHBondContact N-OD1 2.91Å; A8-N70 PolarHBondContact O-ND2 3.02Å
9R98.9Very high96.9Very high74 Ų7442.3 Ų42.328%0.27922%0.215SC..EExtended strand (participates in β ladder)trans-141.3166172.966.7179.465.679.91111H7 I11 E21 D23H7-R9 PolarHBondContact CD2-NH2 2.88Å; R9-I11 HydrophobicContact CG-CG2 4.08Å; R9-E21 WeakPolarHBondContact CD-OE1 3.28Å; R9-E21 HydrophobicContact CG-CB 3.99Å; R9-E21 IonicContact CZ-OE1 3.29Å; R9-E21 PolarHBondContact N-O 3.45Å; R9-E21 IonicContact NE-OE1 3.48Å; R9-E21 IonicContact NH1-OE1 3.08Å; R9-E21 PolarHBondContact NH1-OE1 3.26Å; R9-E21 PolarHBondContact O-N 3.08Å; R9-D23 IonicContact CZ-OD2 3.38Å; R9-D23 VanDerWaalsContact CZ-OD2 3.26Å; R9-D23 IonicContact NH1-OD1 3.26Å; R9-D23 PolarHBondContact NH1-OD1 3.23Å; R9-D23 IonicContact NH1-OD2 2.85Å; R9-D23 PolarHBondContact NH1-OD2 3.41Å; R9-D23 IonicContact NH2-OD2 2.74Å; R9-D23 PolarHBondContact NH2-OD2 2.97Å
10E98.7Very high97Very high46 Ų4640.2 Ų40.222%0.21520%0.204CC..EExtended strand (participates in β ladder)trans-91.5130170.3-173.2174.989.700109.3P18 T19 R56 Y57 V62E10-P18 HydrophobicContact CG-CB 3.71Å; E10-T19 WeakPolarHBondContact CA-O 3.4Å; E10-R56 IonicContact OE1-CZ 3.54Å; E10-R56 VanDerWaalsContact OE1-CZ 3.29Å; E10-R56 IonicContact OE1-NH1 3.42Å; E10-R56 PolarHBondContact OE1-NH1 2.85Å; E10-R56 IonicContact OE1-NH2 2.99Å; E10-R56 PolarHBondContact OE1-NH2 3.15Å; E10-R56 IonicContact OE2-CZ 3.01Å; E10-R56 IonicContact OE2-NH1 3.38Å; E10-R56 PolarHBondContact OE2-NH1 2.63Å; E10-R56 IonicContact OE2-NH2 2.54Å; E10-Y57 WeakPolarHBondContact OE1-CE2 3.42Å; E10-V62 HydrophobicContact CB-CG2 4.16Å; E10-V62 HydrophobicContact CG-CG2 3.62Å; E10-V62 WeakPolarHBondContact OE2-CG2 3.36Å; E10-V62 PolarHBondContact OE2-N 2.95Å
11I98.8Very high97.1Very high26 Ų2639.1 Ų39.113%0.13320%0.199CC..EExtended strand (participates in β ladder)trans-125.2-174.8170.867.3164000109.2R9 P18 T19 E21 A34 T376R9-I11 HydrophobicContact CG-CG2 4.08Å; I11-P18 CarbonylContact O-C 3.55Å; I11-P18 VanDerWaalsContact O-CA 3.27Å; I11-P18 WeakPolarHBondContact O-CA 3.48Å; I11-T19 HydrophobicContact CD1-CG2 4.25Å; I11-T19 HydrophobicContact CG1-CG2 3.71Å; I11-T19 PolarHBondContact N-O 3.48Å; I11-T19 PolarHBondContact O-N 3.06Å; I11-E21 HydrophobicContact CD1-CB 4Å; I11-E21 HydrophobicContact CG1-CB 4.05Å; I11-E21 HydrophobicContact CG2-CB 3.79Å; I11-A34 HydrophobicContact CD1-CB 3.75Å; I11-T376 HydrophobicContact CD1-CG2 4.49Å
12F98.7Very high97.9Very high106 Ų10637.5 Ų37.547%0.46519%0.191SC..EExtended strand (participates in β ladder)trans-110138.5176.8-65.9-84.3000111.8G16 N17 Y57F12-G16 WeakPolarHBondContact CD1-O 3.27Å; F12-N17 CarbonylContact C-O 3.18Å; F12-N17 WeakPolarHBondContact CA-O 3.36Å; F12-Y57 HydrophobicContact CE1-CD1 4.23Å; F12-Y57 AromaticContact CE1-CE1 3.64Å; F12-Y57 HydrophobicContact CE1-CE1 3.64Å; F12-Y57 AromaticContact CZ-CE1 3.79Å; F12-Y57 HydrophobicContact CZ-CE1 3.79Å; F12-Y57 AromaticContact CZ-CZ 3.89Å
13D98.6Very high98.4Very high9 Ų935.5 Ų35.55%0.04818%0.176CC..  trans-77.9177.5168.479.32.5000111.7R15 G16 N17 T19 E375D13-R15 PolarHBondContact O-N 3.01Å; D13-R15 WeakPolarHBondContact OD1-CA 3.37Å; D13-R15 WeakPolarHBondContact OD1-CB 3.49Å; D13-R15 PolarHBondContact OD1-N 2.88Å; D13-R15 IonicContact OD2-NE 3.55Å; D13-R15 IonicContact OD2-NH2 3.99Å; D13-G16 PolarHBondContact O-N 3.42Å; D13-G16 PolarHBondContact OD1-N 3.19Å; D13-G16 VanDerWaalsContact OD1-N 3.11Å; D13-N17 PolarHBondContact N-O 3.35Å; D13-N17 PolarHBondContact OD1-N 3.4Å; D13-T19 HydrophobicContact CB-CG2 4.28Å; D13-E375 CarbonylContact C-O 3.55Å; D13-E375 WeakPolarHBondContact CA-O 3.48Å
14S98.2Very high98.5Very high25 Ų2535.2 Ų35.218%0.17518%0.175CC..THydrogen-bonded Turntrans-66-8.4-178.164.20000114.8S373 E375 R400 E402 R403S14-S373 PolarHBondContact OG-O 2.78Å; S14-E375 WeakPolarHBondContact CB-O 3.33Å; S14-E375 PolarHBondContact N-O 3.36Å; S14-E375 PolarHBondContact OG-N 2.68Å; S14-E375 PolarHBondContact OG-O 2.83Å; S14-R400 PolarHBondContact O-NH2 3.01Å; S14-E402 VanDerWaalsContact CB-CD 3.49Å; S14-E402 VanDerWaalsContact CB-CG 3.44Å; S14-R403 PolarHBondContact OG-NH2 2.83Å
15R96.8Very high98.6Very high61 Ų6133.2 Ų33.223%0.2316%0.162CC..THydrogen-bonded Turntrans-105.33.2174.8-62.7177-62.4175.5-3.7111.9D13 N17 S37 G38 D209D13-R15 PolarHBondContact O-N 3.01Å; D13-R15 WeakPolarHBondContact OD1-CA 3.37Å; D13-R15 WeakPolarHBondContact OD1-CB 3.49Å; D13-R15 PolarHBondContact OD1-N 2.88Å; D13-R15 IonicContact OD2-NE 3.55Å; D13-R15 IonicContact OD2-NH2 3.99Å; R15-N17 VanDerWaalsContact C-N 3.33Å; R15-S37 PolarHBondContact NH2-O 3Å; R15-G38 PolarHBondContact NH1-O 3.42Å; R15-G38 PolarHBondContact NH2-O 3.18Å; R15-D209 VanDerWaalsContact CD-OD2 3.24Å; R15-D209 WeakPolarHBondContact CD-OD2 3.32Å
16G97.8Very high98.5Very high44 Ų4428.1 Ų28.145%0.45414%0.141SC..SBendtrans76.618.3-178.400000113.8F12 D13F12-G16 WeakPolarHBondContact CD1-O 3.27Å; D13-G16 PolarHBondContact O-N 3.42Å; D13-G16 PolarHBondContact OD1-N 3.19Å; D13-G16 VanDerWaalsContact OD1-N 3.11Å
17N98.3Very high98.5Very high30 Ų3031.9 Ų31.916%0.1617%0.168CC..  trans-92.5148.5173.2-60.4-58.2000110.5F12 D13 R15 K60F12-N17 CarbonylContact C-O 3.18Å; F12-N17 WeakPolarHBondContact CA-O 3.36Å; D13-N17 PolarHBondContact N-O 3.35Å; D13-N17 PolarHBondContact OD1-N 3.4Å; R15-N17 VanDerWaalsContact C-N 3.33Å; N17-K60 HydrophobicContact CB-CD 4.26Å; N17-K60 WeakPolarHBondContact OD1-CD 3.33Å
18P98.5Very high98.4Very high0 Ų035.2 Ų35.20%018%0.182CC..EExtended strand (participates in β ladder)trans-55.9144.2172.1-28.336.8000113.4E10 I11 R50 Y57 K60 V62E10-P18 HydrophobicContact CG-CB 3.71Å; I11-P18 CarbonylContact O-C 3.55Å; I11-P18 VanDerWaalsContact O-CA 3.27Å; I11-P18 WeakPolarHBondContact O-CA 3.48Å; P18-R50 PolarHBondContact O-NH1 2.98Å; P18-Y57 HydrophobicContact CG-CD1 4.02Å; P18-Y57 HydrophobicContact CG-CD2 3.31Å; P18-Y57 HydrophobicContact CG-CE2 3.88Å; P18-Y57 HydrophobicContact CG-CG 3.41Å; P18-Y57 VanDerWaalsContact CG-CG 3.41Å; P18-K60 WeakPolarHBondContact CB-O 3.35Å; P18-V62 HydrophobicContact CB-CG2 4.16Å
19T98.9Very high98.3Very high0 Ų036.8 Ų36.80%020%0.197CC..EExtended strand (participates in β ladder)trans-148.3170.3167.2-166.20000111.4E10 I11 D13 V35 T376E10-T19 WeakPolarHBondContact CA-O 3.4Å; I11-T19 HydrophobicContact CD1-CG2 4.25Å; I11-T19 HydrophobicContact CG1-CG2 3.71Å; I11-T19 PolarHBondContact N-O 3.48Å; I11-T19 PolarHBondContact O-N 3.06Å; D13-T19 HydrophobicContact CB-CG2 4.28Å; T19-V35 WeakPolarHBondContact CG2-O 3.3Å; T19-V35 PolarHBondContact OG1-O 3.49Å; T19-T376 HydrophobicContact CG2-CG2 3.9Å
20V98.8Very high98.3Very high0 Ų036.9 Ų36.90%020%0.203CC..EExtended strand (participates in β ladder)trans-89130.1-175.4178.40000110.6V22 A34 V35 V62 A65 V66 I69 N109V20-V22 HydrophobicContact CG1-CG2 4.06Å; V20-A34 WeakPolarHBondContact O-CA 3.42Å; V20-V35 HydrophobicContact CB-CG2 4.4Å; V20-V35 PolarHBondContact O-N 3.5Å; V20-V62 HydrophobicContact CG2-CB 4.01Å; V20-V62 HydrophobicContact CG2-CG2 3.98Å; V20-A65 HydrophobicContact CG2-CB 3.88Å; V20-V66 HydrophobicContact CG2-CG2 4.29Å; V20-I69 HydrophobicContact CG1-CD1 3.48Å; V20-I69 VanDerWaalsContact CG1-CD1 3.48Å; V20-N109 HydrophobicContact CG2-CB 4.27Å
21E98.9Very high98.3Very high18 Ų1835.6 Ų35.68%0.08420%0.197CC..EExtended strand (participates in β ladder)trans-117.3140.6164.5-176.6-176.483.900110.1A8 R9 I11 R32 A33 A34A8-E21 CarbonylContact C-O 3.55Å; A8-E21 WeakPolarHBondContact CA-O 3.33Å; R9-E21 WeakPolarHBondContact CD-OE1 3.28Å; R9-E21 HydrophobicContact CG-CB 3.99Å; R9-E21 IonicContact CZ-OE1 3.29Å; R9-E21 PolarHBondContact N-O 3.45Å; R9-E21 IonicContact NE-OE1 3.48Å; R9-E21 IonicContact NH1-OE1 3.08Å; R9-E21 PolarHBondContact NH1-OE1 3.26Å; R9-E21 PolarHBondContact O-N 3.08Å; I11-E21 HydrophobicContact CD1-CB 4Å; I11-E21 HydrophobicContact CG1-CB 4.05Å; I11-E21 HydrophobicContact CG2-CB 3.79Å; E21-R32 VanDerWaalsContact CD-CD 3.46Å; E21-R32 HydrophobicContact CG-CG 3.78Å; E21-R32 IonicContact OE1-NE 3.96Å; E21-R32 VanDerWaalsContact OE2-CD 3.27Å; E21-R32 WeakPolarHBondContact OE2-CD 3.42Å; E21-R32 IonicContact OE2-NE 2.82Å; E21-A33 CarbonylContact C-O 3.58Å; E21-A33 WeakPolarHBondContact CA-O 3.45Å; E21-A34 HydrophobicContact CB-CB 4.43Å; E21-A34 HydrophobicContact CG-CB 4.46Å
22V98.9Very high98.3Very high0 Ų039.7 Ų39.70%021%0.211CC..EExtended strand (participates in β ladder)trans-124126.2179.2-179.70000110.5I6 A8 V20 R32 A33 I69 V114 A117I6-V22 HydrophobicContact CG2-CG1 3.72Å; A8-V22 HydrophobicContact CB-CG2 4.17Å; V20-V22 HydrophobicContact CG1-CG2 4.06Å; V22-R32 CarbonylContact O-C 3.53Å; V22-R32 VanDerWaalsContact O-CA 3.28Å; V22-R32 WeakPolarHBondContact O-CA 3.44Å; V22-A33 PolarHBondContact N-O 3.48Å; V22-A33 PolarHBondContact O-N 3.47Å; V22-I69 HydrophobicContact CG2-CD1 3.73Å; V22-V114 HydrophobicContact CG1-CG2 4.13Å; V22-V114 HydrophobicContact CG2-CG2 4.24Å; V22-A117 HydrophobicContact CB-CB 4.47Å; V22-A117 HydrophobicContact CG1-CB 4.17Å
23D98.9Very high98.3Very high4 Ų434.7 Ų34.72%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-97.3122.7162.9-72.6-15.4000109.8I6 H7 R9 F25 L30 R32I6-D23 CarbonylContact C-O 3.52Å; I6-D23 WeakPolarHBondContact CA-O 3.24Å; H7-D23 PolarHBondContact N-O 3.06Å; H7-D23 PolarHBondContact O-N 3.28Å; R9-D23 IonicContact CZ-OD2 3.38Å; R9-D23 VanDerWaalsContact CZ-OD2 3.26Å; R9-D23 IonicContact NH1-OD1 3.26Å; R9-D23 PolarHBondContact NH1-OD1 3.23Å; R9-D23 IonicContact NH1-OD2 2.85Å; R9-D23 PolarHBondContact NH1-OD2 3.41Å; R9-D23 IonicContact NH2-OD2 2.74Å; R9-D23 PolarHBondContact NH2-OD2 2.97Å; D23-F25 HydrophobicContact CB-CD2 4.5Å; D23-F25 HydrophobicContact CB-CE2 3.72Å; D23-F25 HydrophobicContact CB-CZ 4.23Å; D23-L30 HydrophobicContact CB-CD1 4.26Å; D23-L30 HydrophobicContact CB-CG 4.22Å; D23-R32 WeakPolarHBondContact OD1-CG 3.22Å; D23-R32 IonicContact OD1-CZ 3.62Å; D23-R32 IonicContact OD1-NE 3.87Å; D23-R32 PolarHBondContact OD1-NE 2.8Å; D23-R32 IonicContact OD1-NH2 2.67Å; D23-R32 PolarHBondContact OD1-NH2 2.91Å; D23-R32 VanDerWaalsContact OD1-NH2 3.17Å; D23-R32 IonicContact OD2-CZ 3.06Å; D23-R32 IonicContact OD2-NE 2.74Å; D23-R32 IonicContact OD2-NH2 3.43Å; D23-R32 PolarHBondContact OD2-NH2 3.01Å; D23-R32 VanDerWaalsContact OD2-NH2 3.08Å
24L98.8Very high98.3Very high0 Ų034.5 Ų34.50%019%0.188CC..EExtended strand (participates in β ladder)trans-109132170.3-173.6153000109.5I3 I6 T26 L30 F31 V84 A117 V118 A121I3-L24 HydrophobicContact CD1-CD1 4.03Å; I3-L24 HydrophobicContact CG1-CD1 4.13Å; I3-L24 HydrophobicContact CG1-CD2 4.38Å; I3-L24 HydrophobicContact CG2-CD1 4.28Å; I3-L24 HydrophobicContact CG2-CD2 4.36Å; I3-L24 HydrophobicContact CG2-CG 4.03Å; I6-L24 HydrophobicContact CD1-CD1 4.29Å; I6-L24 HydrophobicContact CG1-CB 4.42Å; I6-L24 HydrophobicContact CG1-CD1 4.11Å; I6-L24 HydrophobicContact CG1-CG 4.03Å; L24-T26 HydrophobicContact CD2-CG2 3.56Å; L24-L30 CarbonylContact O-C 3.34Å; L24-L30 WeakPolarHBondContact O-CA 2.83Å; L24-F31 HydrophobicContact CD2-CD2 4.14Å; L24-F31 PolarHBondContact N-O 3.27Å; L24-F31 WeakPolarHBondContact O-CD2 3.35Å; L24-F31 PolarHBondContact O-N 3.08Å; L24-V84 HydrophobicContact CD2-CG1 4.26Å; L24-A117 HydrophobicContact CB-CB 3.83Å; L24-V118 HydrophobicContact CD1-CB 4.36Å; L24-V118 HydrophobicContact CD1-CG2 3.46Å; L24-V118 VanDerWaalsContact CD1-CG2 3.46Å; L24-A121 HydrophobicContact CD2-CB 3.8Å
25F98.5Very high98.4Very high62 Ų6233.4 Ų33.427%0.27218%0.181SC..EExtended strand (participates in β ladder)trans-109.9131.6180-62.6-101.6000110.5L4 K5 D23 G29 L30L4-F25 PolarHBondContact N-O 3.01Å; K5-F25 HydrophobicContact CB-CB 4.06Å; K5-F25 HydrophobicContact CB-CD2 3.89Å; K5-F25 HydrophobicContact CB-CG 4.23Å; K5-F25 HydrophobicContact CD-CD2 4.17Å; K5-F25 HydrophobicContact CD-CE2 4.29Å; K5-F25 HydrophobicContact CG-CD2 4.04Å; K5-F25 HydrophobicContact CG-CE2 4.49Å; K5-F25 PolarHBondContact O-N 3.17Å; D23-F25 HydrophobicContact CB-CD2 4.5Å; D23-F25 HydrophobicContact CB-CE2 3.72Å; D23-F25 HydrophobicContact CB-CZ 4.23Å; F25-G29 WeakPolarHBondContact CA-O 3.29Å; F25-L30 HydrophobicContact CD1-CB 4.23Å; F25-L30 HydrophobicContact CE1-CB 4.05Å; F25-L30 HydrophobicContact CE1-CD1 3.69Å; F25-L30 HydrophobicContact CE1-CG 4.11Å; F25-L30 HydrophobicContact CE2-CD1 4.44Å; F25-L30 HydrophobicContact CZ-CD1 3.58Å; F25-L30 HydrophobicContact CZ-CG 4.15Å
26T98.1Very high98.4Very high8 Ų831 Ų315%0.04917%0.173CC..EExtended strand (participates in β ladder)trans-125.5-179.3165.378.50000109.3L24 K28 G29 F31 V84 A121L24-T26 HydrophobicContact CD2-CG2 3.56Å; T26-K28 PolarHBondContact O-N 3.3Å; T26-K28 VanDerWaalsContact O-N 3.13Å; T26-K28 PolarHBondContact OG1-N 3.4Å; T26-G29 PolarHBondContact N-O 3.32Å; T26-G29 PolarHBondContact O-N 3.13Å; T26-G29 VanDerWaalsContact O-N 3.12Å; T26-F31 HydrophobicContact CG2-CD2 4.25Å; T26-F31 HydrophobicContact CG2-CE2 3.9Å; T26-F31 WeakPolarHBondContact OG1-CE2 3.48Å; T26-V84 HydrophobicContact CG2-CG1 3.96Å; T26-A121 HydrophobicContact CG2-CB 4.14Å
27S97.1Very high98.3Very high90 Ų9029.1 Ų29.163%0.62915%0.153SC*.THydrogen-bonded Turntrans-63.9-9.517143.50000114.3M1M1-S27 PolarHBondContact SD-OG 3.3Å
28K97.4Very high97.7Very high136 Ų13628.1 Ų28.159%0.59115%0.15SC*.THydrogen-bonded Turntrans-95.1-2.5173.6-66.9-72-177.7171.80113.9M1 T26 F31 V124M1-K28 HydrophobicContact CE-CB 3.85Å; M1-K28 HydrophobicContact CE-CD 4.41Å; M1-K28 HydrophobicContact CE-CG 3.16Å; M1-K28 HydrophobicContact SD-CB 4.44Å; M1-K28 HydrophobicContact SD-CD 4.37Å; M1-K28 HydrophobicContact SD-CG 3.48Å; M1-K28 WeakPolarHBondContact SD-CG 3.49Å; T26-K28 PolarHBondContact O-N 3.3Å; T26-K28 VanDerWaalsContact O-N 3.13Å; T26-K28 PolarHBondContact OG1-N 3.4Å; K28-F31 HydrophobicContact CB-CZ 4.06Å; K28-V124 HydrophobicContact CB-CG1 3.92Å; K28-V124 HydrophobicContact CG-CG1 4.32Å
29G97.7Very high96.8Very high33 Ų3330 Ų3034%0.3417%0.166SC..EExtended strand (participates in β ladder)trans124.1-154.6176.600000113.8F25 T26 F31F25-G29 WeakPolarHBondContact CA-O 3.29Å; T26-G29 PolarHBondContact N-O 3.32Å; T26-G29 PolarHBondContact O-N 3.13Å; T26-G29 VanDerWaalsContact O-N 3.12Å; G29-F31 WeakPolarHBondContact O-CE2 3.32Å
30L98.4Very high95.6Very high76 Ų7630.4 Ų30.440%0.39817%0.168SC..EExtended strand (participates in β ladder)trans-102.2133.5-175.7178.7160.9000110.2D23 L24 F25 R32D23-L30 HydrophobicContact CB-CD1 4.26Å; D23-L30 HydrophobicContact CB-CG 4.22Å; L24-L30 CarbonylContact O-C 3.34Å; L24-L30 WeakPolarHBondContact O-CA 2.83Å; F25-L30 HydrophobicContact CD1-CB 4.23Å; F25-L30 HydrophobicContact CE1-CB 4.05Å; F25-L30 HydrophobicContact CE1-CD1 3.69Å; F25-L30 HydrophobicContact CE1-CG 4.11Å; F25-L30 HydrophobicContact CE2-CD1 4.44Å; F25-L30 HydrophobicContact CZ-CD1 3.58Å; F25-L30 HydrophobicContact CZ-CG 4.15Å; L30-R32 HydrophobicContact CD2-CB 3.95Å
31F98.7Very high94.7Very high19 Ų1933.7 Ų33.78%0.08319%0.188CC..EExtended strand (participates in β ladder)trans-122.7119176.5-52.8-81.4000108.8L24 T26 K28 G29 K120 A121 V124L24-F31 HydrophobicContact CD2-CD2 4.14Å; L24-F31 PolarHBondContact N-O 3.27Å; L24-F31 WeakPolarHBondContact O-CD2 3.35Å; L24-F31 PolarHBondContact O-N 3.08Å; T26-F31 HydrophobicContact CG2-CD2 4.25Å; T26-F31 HydrophobicContact CG2-CE2 3.9Å; T26-F31 WeakPolarHBondContact OG1-CE2 3.48Å; K28-F31 HydrophobicContact CB-CZ 4.06Å; G29-F31 WeakPolarHBondContact O-CE2 3.32Å; F31-K120 HydrophobicContact CB-CB 4.18Å; F31-K120 HydrophobicContact CD1-CB 4.43Å; F31-A121 HydrophobicContact CB-CB 4.17Å; F31-A121 HydrophobicContact CD1-CB 4.11Å; F31-A121 HydrophobicContact CD2-CB 3.42Å; F31-A121 VanDerWaalsContact CD2-CB 3.42Å; F31-A121 HydrophobicContact CE1-CB 4.44Å; F31-A121 HydrophobicContact CE2-CB 3.83Å; F31-A121 HydrophobicContact CG-CB 3.59Å; F31-A121 HydrophobicContact CZ-CB 4.31Å; F31-V124 HydrophobicContact CD1-CG2 4.39Å; F31-V124 HydrophobicContact CE1-CB 3.53Å; F31-V124 HydrophobicContact CE1-CG1 3.91Å; F31-V124 HydrophobicContact CE1-CG2 3.57Å; F31-V124 HydrophobicContact CZ-CB 3.92Å; F31-V124 HydrophobicContact CZ-CG1 3.93Å; F31-V124 HydrophobicContact CZ-CG2 4.41Å
32R98.9Very high93.9Very high113 Ų11333 Ų3343%0.42619%0.186SC..EExtended strand (participates in β ladder)trans-110.7136.1-172.6-179.5171.2-71.5155.66.1111.2E21 V22 D23 L30 K120E21-R32 VanDerWaalsContact CD-CD 3.46Å; E21-R32 HydrophobicContact CG-CG 3.78Å; E21-R32 IonicContact OE1-NE 3.96Å; E21-R32 VanDerWaalsContact OE2-CD 3.27Å; E21-R32 WeakPolarHBondContact OE2-CD 3.42Å; E21-R32 IonicContact OE2-NE 2.82Å; V22-R32 CarbonylContact O-C 3.53Å; V22-R32 VanDerWaalsContact O-CA 3.28Å; V22-R32 WeakPolarHBondContact O-CA 3.44Å; D23-R32 WeakPolarHBondContact OD1-CG 3.22Å; D23-R32 IonicContact OD1-CZ 3.62Å; D23-R32 IonicContact OD1-NE 3.87Å; D23-R32 PolarHBondContact OD1-NE 2.8Å; D23-R32 IonicContact OD1-NH2 2.67Å; D23-R32 PolarHBondContact OD1-NH2 2.91Å; D23-R32 VanDerWaalsContact OD1-NH2 3.17Å; D23-R32 IonicContact OD2-CZ 3.06Å; D23-R32 IonicContact OD2-NE 2.74Å; D23-R32 IonicContact OD2-NH2 3.43Å; D23-R32 PolarHBondContact OD2-NH2 3.01Å; D23-R32 VanDerWaalsContact OD2-NH2 3.08Å; L30-R32 HydrophobicContact CD2-CB 3.95Å; R32-K120 WeakPolarHBondContact O-CD 3.33Å; R32-K120 WeakPolarHBondContact O-CE 3.47Å; R32-K120 PolarHBondContact O-NZ 3.03Å
33A98.9Very high93.5Very high0 Ų038.6 Ų38.60%022%0.215CC..EExtended strand (participates in β ladder)trans-138.4144.9168.500000112.3E21 V22 L116 A117 K120 D378E21-A33 CarbonylContact C-O 3.58Å; E21-A33 WeakPolarHBondContact CA-O 3.45Å; V22-A33 PolarHBondContact N-O 3.48Å; V22-A33 PolarHBondContact O-N 3.47Å; A33-L116 HydrophobicContact CB-CB 3.42Å; A33-L116 VanDerWaalsContact CB-CB 3.42Å; A33-L116 HydrophobicContact CB-CD1 4.34Å; A33-A117 HydrophobicContact CB-CB 4.16Å; A33-K120 HydrophobicContact CB-CD 4.43Å; A33-D378 WeakPolarHBondContact CA-OD2 3.43Å
34A98.8Very high93.3Very high5 Ų542.4 Ų42.44%0.04123%0.23CC..EExtended strand (participates in β ladder)trans-119.2151.2174.600000111.6I11 V20 E21 T376 D378I11-A34 HydrophobicContact CD1-CB 3.75Å; V20-A34 WeakPolarHBondContact O-CA 3.42Å; E21-A34 HydrophobicContact CB-CB 4.43Å; E21-A34 HydrophobicContact CG-CB 4.46Å; A34-T376 HydrophobicContact CB-CG2 3.87Å; A34-D378 HydrophobicContact CB-CB 4.33Å; A34-D378 PolarHBondContact N-OD2 3Å
35V98.7Very high93.2Very high2 Ų243.6 Ų43.61%0.01224%0.235CC..  trans-102.4130-174179.10000110.7T19 V20 N109 L112 N345T19-V35 WeakPolarHBondContact CG2-O 3.3Å; T19-V35 PolarHBondContact OG1-O 3.49Å; V20-V35 HydrophobicContact CB-CG2 4.4Å; V20-V35 PolarHBondContact O-N 3.5Å; V35-N109 HydrophobicContact CG1-CB 3.95Å; V35-N109 WeakPolarHBondContact CG2-O 3.46Å; V35-L112 HydrophobicContact CG1-CD2 4.02Å; V35-L112 HydrophobicContact CG2-CB 4.39Å; V35-L112 HydrophobicContact CG2-CG 4.43Å; V35-N345 HydrophobicContact CG1-CB 4.46Å
36P98.4Very high93.1Very high11 Ų1141.2 Ų41.27%0.07123%0.227CC..  trans-80.4166.4174.935.5-37.1000111.8N345 R372 G374P36-N345 HydrophobicContact CG-CB 4.29Å; P36-N345 PolarHBondContact O-ND2 2.97Å; P36-R372 HydrophobicContact CB-CB 4.02Å; P36-R372 HydrophobicContact CB-CG 3.82Å; P36-R372 HydrophobicContact CG-CG 3.95Å; P36-G374 CarbonylContact C-O 3.45Å; P36-G374 WeakPolarHBondContact CA-O 3.46Å; P36-G374 WeakPolarHBondContact CB-O 3.34Å
37S95.7Very high93.1Very high4 Ų444.2 Ų44.23%0.02824%0.242CC..BIsolated β-bridgetrans-136.3143.7179-178.50000111.6R15 E48 R50 R372 G374R15-S37 PolarHBondContact NH2-O 3Å; S37-E48 WeakPolarHBondContact CB-OE2 3.3Å; S37-E48 VanDerWaalsContact OG-CD 3.29Å; S37-E48 PolarHBondContact OG-OE1 2.99Å; S37-E48 VanDerWaalsContact OG-OE1 3.09Å; S37-E48 PolarHBondContact OG-OE2 3.42Å; S37-R50 PolarHBondContact OG-NH2 3.43Å; S37-R372 WeakPolarHBondContact O-CB 3.3Å; S37-G374 PolarHBondContact N-O 3.17Å; S37-G374 CarbonylContact O-C 3.59Å; S37-G374 WeakPolarHBondContact O-CA 3.32Å; S37-G374 PolarHBondContact O-N 2.99Å
38G84.4Confident93.1Very high9 Ų942 Ų429%0.09322%0.222CC..  trans-83.6168.5179.400000115.1R15R15-G38 PolarHBondContact NH1-O 3.42Å; R15-G38 PolarHBondContact NH2-O 3.18Å
39A79.5Confident93.1Very high41 Ų4136.8 Ų36.834%0.33920%0.2SC..SBendtrans-107-62.6164.500000109S373A39-S373 VanDerWaalsContact CB-OG 3.26Å; A39-S373 WeakPolarHBondContact CB-OG 3.44Å; A39-S373 PolarHBondContact N-OG 3.06Å
40S74.5Confident93.1Very high7 Ų736.8 Ų36.85%0.04919%0.19CC..SBendtrans-82114.2166.9-40.90000107S157 Q166S40-S157 WeakPolarHBondContact OG-CB 3.44Å; S40-Q166 PolarHBondContact OG-OE1 2.65Å
41T80.4Confident93.1Very high70 Ų7033.7 Ų33.743%0.42917%0.174SC..  trans-123.5118.5-177.256.70000108.6E45T41-E45 WeakPolarHBondContact CA-OE1 3.37Å
42G81.2Confident93Very high4 Ų438.9 Ų38.94%0.04120%0.203CC..  trans-55.3143.3170.200000111.3Y44 E45 Q298 D319G42-Y44 PolarHBondContact O-N 3.18Å; G42-E45 PolarHBondContact N-OE1 2.87Å; G42-E45 WeakPolarHBondContact O-CG 3.29Å; G42-E45 PolarHBondContact O-N 2.94Å; G42-Q298 VanDerWaalsContact CA-OE1 3.31Å; G42-D319 VanDerWaalsContact CA-OD1 3.29Å; G42-D319 WeakPolarHBondContact CA-OD1 3.39Å; G42-D319 PolarHBondContact N-OD1 3.44Å
43I91.4Very high93Very high116 Ų11636.9 Ų36.960%0.59520%0.2SC*.THydrogen-bonded Turntrans-68-11.6-175.167-177.5000113
44Y94.9Very high92.9Very high85 Ų8545.9 Ų45.933%0.33324%0.239SC..THydrogen-bonded Turntrans-99.2-0.6-178.1-59.5-70.3000113.7G42 Q298 D299 R327G42-Y44 PolarHBondContact O-N 3.18Å; Y44-Q298 HydrophobicContact CE2-CG 4.22Å; Y44-D299 WeakPolarHBondContact CE2-OD1 3.25Å; Y44-D299 WeakPolarHBondContact CE2-OD2 3.43Å; Y44-D299 PolarHBondContact OH-OD1 2.93Å; Y44-D299 PolarHBondContact OH-OD2 3.34Å; Y44-R327 VanDerWaalsContact CD2-NH1 3.28Å; Y44-R327 VanDerWaalsContact CE1-NH1 3.29Å
45E95.7Very high92.8Very high25 Ų2551.9 Ų51.912%0.11728%0.276CS..SBendtrans-60150.8176.7-68.6-168.3-163.500111.7T41 G42 V322 Q346 R372T41-E45 WeakPolarHBondContact CA-OE1 3.37Å; G42-E45 PolarHBondContact N-OE1 2.87Å; G42-E45 WeakPolarHBondContact O-CG 3.29Å; G42-E45 PolarHBondContact O-N 2.94Å; E45-V322 HydrophobicContact CG-CB 4.12Å; E45-V322 HydrophobicContact CG-CG1 3.69Å; E45-Q346 VanDerWaalsContact CD-CG 3.48Å; E45-Q346 HydrophobicContact CG-CB 4.12Å; E45-Q346 HydrophobicContact CG-CG 3.76Å; E45-Q346 PolarHBondContact OE1-NE2 3.42Å; E45-R372 IonicContact OE1-CZ 2.74Å; E45-R372 IonicContact OE1-NH1 2.67Å; E45-R372 IonicContact OE1-NH2 3.55Å; E45-R372 PolarHBondContact OE1-NH2 2.94Å; E45-R372 IonicContact OE2-CZ 2.72Å; E45-R372 IonicContact OE2-NH1 2.67Å; E45-R372 PolarHBondContact OE2-NH1 3.42Å; E45-R372 IonicContact OE2-NH2 2.72Å; E45-R372 PolarHBondContact OE2-NH2 3.03Å
46A96.5Very high92.7Very high11 Ų1155.6 Ų55.69%0.09129%0.289CS..PPolyproline II helixtrans-59.8142.5165.700000110E48 N102 K103 A108 Q346A46-E48 PolarHBondContact O-N 2.99Å; A46-N102 CarbonylContact C-O 3.57Å; A46-N102 WeakPolarHBondContact CA-O 3.33Å; A46-K103 HydrophobicContact CB-CD 4.3Å; A46-A108 HydrophobicContact CB-CB 3.58Å; A46-Q346 WeakPolarHBondContact CB-O 3.49Å; A46-Q346 PolarHBondContact N-O 2.93Å
47L97.2Very high92.7Very high71 Ų7159.9 Ų59.937%0.37231%0.305SS..PPolyproline II helixtrans-70.2118.2-167.6-175.672.5000111.7L49 N102 G107 A108L47-L49 PolarHBondContact O-N 3.24Å; L47-N102 PolarHBondContact N-O 3.37Å; L47-G107 CarbonylContact O-C 3.6Å; L47-G107 WeakPolarHBondContact O-CA 3.45Å; L47-A108 WeakPolarHBondContact O-CB 3.24Å; L47-A108 PolarHBondContact O-N 2.71Å
48E97.6Very high92.7Very high44 Ų4467.2 Ų67.221%0.20634%0.341CS..  trans-74.4110.5163.5-174.7179.916500109.9S37 A46 R50 N109S37-E48 WeakPolarHBondContact CB-OE2 3.3Å; S37-E48 VanDerWaalsContact OG-CD 3.29Å; S37-E48 PolarHBondContact OG-OE1 2.99Å; S37-E48 VanDerWaalsContact OG-OE1 3.09Å; S37-E48 PolarHBondContact OG-OE2 3.42Å; A46-E48 PolarHBondContact O-N 2.99Å; E48-R50 PolarHBondContact O-N 3.07Å; E48-R50 IonicContact OE1-CZ 2.79Å; E48-R50 IonicContact OE1-NE 3.66Å; E48-R50 PolarHBondContact OE1-NE 3.04Å; E48-R50 IonicContact OE1-NH1 2.76Å; E48-R50 IonicContact OE1-NH2 3.76Å; E48-R50 PolarHBondContact OE1-NH2 3.37Å; E48-R50 IonicContact OE2-NH2 3.22Å; E48-N109 HydrophobicContact CG-CB 4.28Å
49L98Very high93.3Very high27 Ų2767.1 Ų67.114%0.14134%0.34CS..  trans-77.4110.8-177.7-177.864.8000110.8L47 K64 A65 F106 N109L47-L49 PolarHBondContact O-N 3.24Å; L49-K64 HydrophobicContact CD2-CB 3.92Å; L49-K64 HydrophobicContact CG-CB 4.32Å; L49-A65 HydrophobicContact CB-CB 4.39Å; L49-A65 HydrophobicContact CD2-CB 4.43Å; L49-F106 VanDerWaalsContact CD2-O 3.29Å; L49-F106 WeakPolarHBondContact CD2-O 3.4Å; L49-N109 PolarHBondContact N-OD1 3.5Å; L49-N109 PolarHBondContact O-ND2 2.99Å
50R98Very high94.2Very high32 Ų3269 Ų6912%0.12134%0.34CS..  trans-104.6153.1171.7-61.4-65.7-168.2164.4-7.1111.1P18 S37 E48 N52 K60 G61P18-R50 PolarHBondContact O-NH1 2.98Å; S37-R50 PolarHBondContact OG-NH2 3.43Å; E48-R50 PolarHBondContact O-N 3.07Å; E48-R50 IonicContact OE1-CZ 2.79Å; E48-R50 IonicContact OE1-NE 3.66Å; E48-R50 PolarHBondContact OE1-NE 3.04Å; E48-R50 IonicContact OE1-NH1 2.76Å; E48-R50 IonicContact OE1-NH2 3.76Å; E48-R50 PolarHBondContact OE1-NH2 3.37Å; E48-R50 IonicContact OE2-NH2 3.22Å; R50-N52 VanDerWaalsContact C-N 3.31Å; R50-N52 PolarHBondContact O-N 3.14Å; R50-K60 PolarHBondContact NH1-O 2.62Å; R50-G61 CarbonylContact C-O 3.51Å; R50-G61 WeakPolarHBondContact CA-O 3.44Å
51D98.1Very high95.3Very high11 Ų1168.7 Ų68.76%0.05934%0.338CS..  trans-68.2-32.4-177.8-67.9-18.8000112.3D53 R56 G61 V62 S63 K64D51-D53 PolarHBondContact O-N 3.06Å; D51-R56 IonicContact OD2-NH1 3.94Å; D51-G61 VanDerWaalsContact CG-O 3.26Å; D51-G61 PolarHBondContact N-O 2.89Å; D51-G61 VanDerWaalsContact OD2-CA 3.26Å; D51-G61 WeakPolarHBondContact OD2-CA 2.99Å; D51-V62 PolarHBondContact OD2-N 3.36Å; D51-S63 PolarHBondContact OD1-N 3.21Å; D51-S63 PolarHBondContact OD1-OG 3.34Å; D51-S63 VanDerWaalsContact OD1-OG 3.14Å; D51-S63 WeakPolarHBondContact OD2-CB 3.07Å; D51-S63 PolarHBondContact OD2-N 3.48Å; D51-S63 PolarHBondContact OD2-OG 3.15Å; D51-K64 PolarHBondContact O-NZ 3.4Å; D51-K64 WeakPolarHBondContact OD1-CG 3.42Å; D51-K64 PolarHBondContact OD1-N 3.24Å
52N96.9Very high96.2Very high129 Ų12965.3 Ų65.369%0.6932%0.317SS*.  trans58.319.9-174.1-66.7-48.3000114.3R50 K54 G59R50-N52 VanDerWaalsContact C-N 3.31Å; R50-N52 PolarHBondContact O-N 3.14Å; N52-K54 PolarHBondContact O-N 3.4Å; N52-G59 WeakPolarHBondContact CA-O 3.38Å; N52-G59 PolarHBondContact N-O 3.06Å
53D97.7Very high97Very high70 Ų7067.7 Ų67.737%0.37433%0.333SS..  trans-81.6103170.1178.21.8000110D51 T55 R56 G59D51-D53 PolarHBondContact O-N 3.06Å; D53-T55 VanDerWaalsContact CG-OG1 3.25Å; D53-T55 PolarHBondContact O-N 2.94Å; D53-T55 VanDerWaalsContact O-N 3.08Å; D53-T55 WeakPolarHBondContact OD1-CB 3.49Å; D53-T55 PolarHBondContact OD1-N 2.96Å; D53-T55 PolarHBondContact OD1-OG1 3.13Å; D53-T55 PolarHBondContact OD2-OG1 3.38Å; D53-R56 HydrophobicContact CB-CB 4.46Å; D53-R56 PolarHBondContact O-N 2.89Å; D53-G59 VanDerWaalsContact O-CA 3.23Å; D53-G59 WeakPolarHBondContact O-CA 3.48Å; D53-G59 PolarHBondContact O-N 3Å; D53-G59 VanDerWaalsContact O-N 3.15Å
54K96.6Very high97.4Very high189 Ų18966.8 Ų66.882%0.82233%0.325SS*.THydrogen-bonded Turntrans-60-20.3-178.7-67.1-175.4178.3-179.20113.5N52 R56N52-K54 PolarHBondContact O-N 3.4Å; K54-R56 VanDerWaalsContact C-N 3.27Å
55T97.4Very high97.6Very high131 Ų13162.7 Ų62.780%0.80431%0.309SS*.THydrogen-bonded Turntrans-79-12.6178.573.40000112.9D53D53-T55 VanDerWaalsContact CG-OG1 3.25Å; D53-T55 PolarHBondContact O-N 2.94Å; D53-T55 VanDerWaalsContact O-N 3.08Å; D53-T55 WeakPolarHBondContact OD1-CB 3.49Å; D53-T55 PolarHBondContact OD1-N 2.96Å; D53-T55 PolarHBondContact OD1-OG1 3.13Å; D53-T55 PolarHBondContact OD2-OG1 3.38Å
56R97.6Very high97.7Very high80 Ų8062.4 Ų62.430%0.30231%0.309SS..SBendtrans-126.7118.7-176.9-171.6-179.4-174.9-91.8-3.6111.1E10 D51 D53 K54 M58 G59E10-R56 IonicContact OE1-CZ 3.54Å; E10-R56 VanDerWaalsContact OE1-CZ 3.29Å; E10-R56 IonicContact OE1-NH1 3.42Å; E10-R56 PolarHBondContact OE1-NH1 2.85Å; E10-R56 IonicContact OE1-NH2 2.99Å; E10-R56 PolarHBondContact OE1-NH2 3.15Å; E10-R56 IonicContact OE2-CZ 3.01Å; E10-R56 IonicContact OE2-NH1 3.38Å; E10-R56 PolarHBondContact OE2-NH1 2.63Å; E10-R56 IonicContact OE2-NH2 2.54Å; D51-R56 IonicContact OD2-NH1 3.94Å; D53-R56 HydrophobicContact CB-CB 4.46Å; D53-R56 PolarHBondContact O-N 2.89Å; K54-R56 VanDerWaalsContact C-N 3.27Å; R56-M58 PolarHBondContact O-N 2.89Å; R56-M58 VanDerWaalsContact O-N 3.1Å; R56-G59 PolarHBondContact O-N 3.09Å
57Y96.9Very high97.8Very high101 Ų10166.3 Ų66.340%0.39633%0.325SS..G310 helixtrans4937.8178.2-57.2-64.9000114.1E10 F12 P18 G59 K60E10-Y57 WeakPolarHBondContact OE1-CE2 3.42Å; F12-Y57 HydrophobicContact CE1-CD1 4.23Å; F12-Y57 AromaticContact CE1-CE1 3.64Å; F12-Y57 HydrophobicContact CE1-CE1 3.64Å; F12-Y57 AromaticContact CZ-CE1 3.79Å; F12-Y57 HydrophobicContact CZ-CE1 3.79Å; F12-Y57 AromaticContact CZ-CZ 3.89Å; P18-Y57 HydrophobicContact CG-CD1 4.02Å; P18-Y57 HydrophobicContact CG-CD2 3.31Å; P18-Y57 HydrophobicContact CG-CE2 3.88Å; P18-Y57 HydrophobicContact CG-CG 3.41Å; P18-Y57 VanDerWaalsContact CG-CG 3.41Å; Y57-G59 PolarHBondContact O-N 3.47Å; Y57-K60 VanDerWaalsContact O-CB 3.29Å; Y57-K60 WeakPolarHBondContact O-CB 3.31Å; Y57-K60 PolarHBondContact O-N 2.92Å
58M96.3Very high97.9Very high159 Ų15965.5 Ų65.578%0.78332%0.319SS*.G310 helixtrans55.934.5-178.3-49.3-63.9-167.100113.5R56 K60R56-M58 PolarHBondContact O-N 2.89Å; R56-M58 VanDerWaalsContact O-N 3.1Å; M58-K60 VanDerWaalsContact C-N 3.33Å
59G97.4Very high97.9Very high7 Ų763.4 Ų63.47%0.07231%0.31CS..G310 helixtrans86.9-4.4-17700000115N52 D53 R56 Y57N52-G59 WeakPolarHBondContact CA-O 3.38Å; N52-G59 PolarHBondContact N-O 3.06Å; D53-G59 VanDerWaalsContact O-CA 3.23Å; D53-G59 WeakPolarHBondContact O-CA 3.48Å; D53-G59 PolarHBondContact O-N 3Å; D53-G59 VanDerWaalsContact O-N 3.15Å; R56-G59 PolarHBondContact O-N 3.09Å; Y57-G59 PolarHBondContact O-N 3.47Å
60K98Very high98Very high80 Ų8064.4 Ų64.435%0.34832%0.315SS..THydrogen-bonded Turntrans-93.210.7-170.8-57.2-176.2179.478.40114.7N17 P18 R50 Y57 M58N17-K60 HydrophobicContact CB-CD 4.26Å; N17-K60 WeakPolarHBondContact OD1-CD 3.33Å; P18-K60 WeakPolarHBondContact CB-O 3.35Å; R50-K60 PolarHBondContact NH1-O 2.62Å; Y57-K60 VanDerWaalsContact O-CB 3.29Å; Y57-K60 WeakPolarHBondContact O-CB 3.31Å; Y57-K60 PolarHBondContact O-N 2.92Å; M58-K60 VanDerWaalsContact C-N 3.33Å
61G98.4Very high98Very high0 Ų069.6 Ų69.60%034%0.339CS..  trans-55.4155.3172.400000112.6R50 D51R50-G61 CarbonylContact C-O 3.51Å; R50-G61 WeakPolarHBondContact CA-O 3.44Å; D51-G61 VanDerWaalsContact CG-O 3.26Å; D51-G61 PolarHBondContact N-O 2.89Å; D51-G61 VanDerWaalsContact OD2-CA 3.26Å; D51-G61 WeakPolarHBondContact OD2-CA 2.99Å
62V98.7Very high98Very high0 Ų072 Ų720%035%0.354CS..  trans-124.523.1176.1-640000112.1E10 P18 V20 D51 K64 A65 V66E10-V62 HydrophobicContact CB-CG2 4.16Å; E10-V62 HydrophobicContact CG-CG2 3.62Å; E10-V62 WeakPolarHBondContact OE2-CG2 3.36Å; E10-V62 PolarHBondContact OE2-N 2.95Å; P18-V62 HydrophobicContact CB-CG2 4.16Å; V20-V62 HydrophobicContact CG2-CB 4.01Å; V20-V62 HydrophobicContact CG2-CG2 3.98Å; D51-V62 PolarHBondContact OD2-N 3.36Å; V62-K64 PolarHBondContact O-N 3.38Å; V62-A65 HydrophobicContact CB-CB 4.48Å; V62-A65 PolarHBondContact O-N 3.37Å; V62-A65 VanDerWaalsContact O-N 3.14Å; V62-V66 HydrophobicContact CG2-CG2 4.32Å; V62-V66 WeakPolarHBondContact O-CG2 3.32Å; V62-V66 PolarHBondContact O-N 2.49Å
63S98.4Very high98.1Very high54 Ų5465.8 Ų65.838%0.37832%0.321SS..Hα-helixtrans-59.9-34.7-177.364.40000112.4D51 V66 E67D51-S63 PolarHBondContact OD1-N 3.21Å; D51-S63 PolarHBondContact OD1-OG 3.34Å; D51-S63 VanDerWaalsContact OD1-OG 3.14Å; D51-S63 WeakPolarHBondContact OD2-CB 3.07Å; D51-S63 PolarHBondContact OD2-N 3.48Å; D51-S63 PolarHBondContact OD2-OG 3.15Å; S63-V66 PolarHBondContact O-N 3.02Å; S63-E67 VanDerWaalsContact O-CB 3.31Å; S63-E67 WeakPolarHBondContact O-CB 3.43Å; S63-E67 PolarHBondContact O-N 3.27Å
64K98.6Very high98.2Very high96 Ų9662.9 Ų62.942%0.41731%0.306SS..Hα-helixtrans-62.8-46.4174.2-68.2175-176.1167.60112.5L49 D51 V62 E67 H68L49-K64 HydrophobicContact CD2-CB 3.92Å; L49-K64 HydrophobicContact CG-CB 4.32Å; D51-K64 PolarHBondContact O-NZ 3.4Å; D51-K64 WeakPolarHBondContact OD1-CG 3.42Å; D51-K64 PolarHBondContact OD1-N 3.24Å; V62-K64 PolarHBondContact O-N 3.38Å; K64-E67 WeakPolarHBondContact O-CB 3.47Å; K64-E67 PolarHBondContact O-N 2.78Å; K64-H68 PolarHBondContact O-CD2 2.68Å; K64-H68 PolarHBondContact O-N 2.97Å
65A98.7Very high98.2Very high0 Ų057.2 Ų57.20%029%0.289CS..Hα-helixtrans-63.4-43.8177.700000111.3V20 L49 V62 E67 H68 I69 A110V20-A65 HydrophobicContact CG2-CB 3.88Å; L49-A65 HydrophobicContact CB-CB 4.39Å; L49-A65 HydrophobicContact CD2-CB 4.43Å; V62-A65 HydrophobicContact CB-CB 4.48Å; V62-A65 PolarHBondContact O-N 3.37Å; V62-A65 VanDerWaalsContact O-N 3.14Å; A65-E67 VanDerWaalsContact C-N 3.3Å; A65-E67 PolarHBondContact O-N 2.96Å; A65-H68 PolarHBondContact O-N 3.34Å; A65-I69 WeakPolarHBondContact O-CG1 3.46Å; A65-I69 PolarHBondContact O-N 3.31Å; A65-I69 VanDerWaalsContact O-N 3.1Å; A65-A110 HydrophobicContact CB-CB 4.25Å
66V98.8Very high98.3Very high19 Ų1952 Ų5212%0.11526%0.259CS..Hα-helixtrans-59.7-40.8174.1170.10000111.4A8 V20 V62 S63 I69 N70A8-V66 HydrophobicContact CB-CG1 4.11Å; A8-V66 WeakPolarHBondContact O-CG1 3.3Å; V20-V66 HydrophobicContact CG2-CG2 4.29Å; V62-V66 HydrophobicContact CG2-CG2 4.32Å; V62-V66 WeakPolarHBondContact O-CG2 3.32Å; V62-V66 PolarHBondContact O-N 2.49Å; S63-V66 PolarHBondContact O-N 3.02Å; V66-I69 PolarHBondContact O-N 3.47Å; V66-N70 WeakPolarHBondContact CG1-ND2 3.41Å; V66-N70 WeakPolarHBondContact O-CB 3.23Å; V66-N70 PolarHBondContact O-N 2.99Å; V66-N70 PolarHBondContact O-ND2 2.83Å; V66-N70 VanDerWaalsContact O-ND2 3.13Å
67E98.8Very high98.3Very high93 Ų9348.3 Ų48.344%0.43525%0.245SC..Hα-helixtrans-65.6-44.6176.7-176.7171.8179.900112.2S63 K64 A65 I69 N70 K71S63-E67 VanDerWaalsContact O-CB 3.31Å; S63-E67 WeakPolarHBondContact O-CB 3.43Å; S63-E67 PolarHBondContact O-N 3.27Å; K64-E67 WeakPolarHBondContact O-CB 3.47Å; K64-E67 PolarHBondContact O-N 2.78Å; A65-E67 VanDerWaalsContact C-N 3.3Å; A65-E67 PolarHBondContact O-N 2.96Å; E67-I69 VanDerWaalsContact C-N 3.28Å; E67-I69 PolarHBondContact O-N 3.44Å; E67-N70 PolarHBondContact O-N 2.58Å; E67-K71 HydrophobicContact CG-CD 3.65Å; E67-K71 HydrophobicContact CG-CG 4.07Å; E67-K71 WeakPolarHBondContact O-CB 3.22Å; E67-K71 PolarHBondContact O-N 2.96Å; E67-K71 WeakPolarHBondContact OE1-CD 3.17Å; E67-K71 WeakPolarHBondContact OE1-CE 3.35Å; E67-K71 IonicContact OE1-NZ 3.55Å; E67-K71 PolarHBondContact OE1-NZ 2.8Å
68H98.8Very high98.3Very high53 Ų5345.8 Ų45.825%0.24524%0.24CC..Hα-helixtrans-56.8-42.5174.8-74.3-54.6000111.8K64 A65 T72 I73 K105 F106K64-H68 PolarHBondContact O-CD2 2.68Å; K64-H68 PolarHBondContact O-N 2.97Å; A65-H68 PolarHBondContact O-N 3.34Å; H68-T72 WeakPolarHBondContact O-CA 3.41Å; H68-T72 VanDerWaalsContact O-CB 3.24Å; H68-T72 WeakPolarHBondContact O-CB 3.39Å; H68-T72 PolarHBondContact O-N 3.48Å; H68-I73 PolarHBondContact O-N 2.88Å; H68-K105 PolarHBondContact NE2-O 2.72Å; H68-F106 HydrophobicContact CB-CB 4.28Å; H68-F106 HydrophobicContact CB-CD1 4.11Å; H68-F106 HydrophobicContact CB-CG 4.43Å; H68-F106 AromaticContact CG-CD1 3.87Å; H68-F106 AromaticContact ND1-CD1 3.7Å
69I98.8Very high98.4Very high0 Ų042 Ų420%023%0.229CC..Iπ-helixtrans-63-56.7175.5-62.9161.6000110.5I6 A8 V20 V22 A65 V66 E67 K71 I73 A74 A110 V114I6-I69 HydrophobicContact CG2-CG2 3.74Å; A8-I69 HydrophobicContact CB-CB 3.66Å; A8-I69 HydrophobicContact CB-CD1 3.59Å; A8-I69 HydrophobicContact CB-CG1 4.26Å; A8-I69 HydrophobicContact CB-CG2 3.64Å; V20-I69 HydrophobicContact CG1-CD1 3.48Å; V20-I69 VanDerWaalsContact CG1-CD1 3.48Å; V22-I69 HydrophobicContact CG2-CD1 3.73Å; A65-I69 WeakPolarHBondContact O-CG1 3.46Å; A65-I69 PolarHBondContact O-N 3.31Å; A65-I69 VanDerWaalsContact O-N 3.1Å; V66-I69 PolarHBondContact O-N 3.47Å; E67-I69 VanDerWaalsContact C-N 3.28Å; E67-I69 PolarHBondContact O-N 3.44Å; I69-K71 PolarHBondContact O-N 3.12Å; I69-I73 HydrophobicContact CG1-CD1 4.17Å; I69-I73 PolarHBondContact O-N 3.19Å; I69-A74 WeakPolarHBondContact O-CB 3.48Å; I69-A74 PolarHBondContact O-N 3.36Å; I69-A110 HydrophobicContact CD1-CB 4.15Å; I69-A110 WeakPolarHBondContact CD1-O 3.42Å; I69-A110 HydrophobicContact CG1-CB 3.83Å; I69-V114 HydrophobicContact CD1-CG2 4.46Å; I69-V114 HydrophobicContact CG1-CG2 4.14Å; I69-V114 HydrophobicContact CG2-CG2 3.75Å
70N98.9Very high98.3Very high49 Ų4947.8 Ų47.826%0.26225%0.253SS..Iπ-helixtrans-65.3-38.7-171.9-77.3-44.7000113.3H7 A8 V66 E67H7-N70 WeakPolarHBondContact CA-OD1 3.4Å; H7-N70 PolarHBondContact ND1-OD1 2.99Å; H7-N70 VanDerWaalsContact ND1-OD1 3.14Å; A8-N70 PolarHBondContact N-OD1 2.91Å; A8-N70 PolarHBondContact O-ND2 3.02Å; V66-N70 WeakPolarHBondContact CG1-ND2 3.41Å; V66-N70 WeakPolarHBondContact O-CB 3.23Å; V66-N70 PolarHBondContact O-N 2.99Å; V66-N70 PolarHBondContact O-ND2 2.83Å; V66-N70 VanDerWaalsContact O-ND2 3.13Å; E67-N70 PolarHBondContact O-N 2.58Å
71K98.6Very high98.1Very high141 Ų14151.9 Ų51.961%0.61327%0.27SS*.Iπ-helixtrans-99.1-21.9-172.6-61.9-170.5-173.61710114.4E67 I69E67-K71 HydrophobicContact CG-CD 3.65Å; E67-K71 HydrophobicContact CG-CG 4.07Å; E67-K71 WeakPolarHBondContact O-CB 3.22Å; E67-K71 PolarHBondContact O-N 2.96Å; E67-K71 WeakPolarHBondContact OE1-CD 3.17Å; E67-K71 WeakPolarHBondContact OE1-CE 3.35Å; E67-K71 IonicContact OE1-NZ 3.55Å; E67-K71 PolarHBondContact OE1-NZ 2.8Å; I69-K71 PolarHBondContact O-N 3.12Å
72T98.6Very high97.9Very high60 Ų6053.7 Ų53.737%0.36828%0.28SS..Iπ-helixtrans-119.9-58.4-173.6-48.70000112.4H68 A76 M97 F106H68-T72 WeakPolarHBondContact O-CA 3.41Å; H68-T72 VanDerWaalsContact O-CB 3.24Å; H68-T72 WeakPolarHBondContact O-CB 3.39Å; H68-T72 PolarHBondContact O-N 3.48Å; T72-A76 WeakPolarHBondContact O-CB 3.32Å; T72-A76 PolarHBondContact O-N 3.25Å; T72-M97 HydrophobicContact CG2-CE 4.21Å; T72-F106 HydrophobicContact CG2-CE1 4Å; T72-F106 HydrophobicContact CG2-CZ 3.87Å
73I98.6Very high97.8Very high0 Ų056 Ų560%029%0.292CS..Iπ-helixtrans-69.1-47.6-175.4-60.4169.4000110.5H68 I69 A76 L77 M94 F106 A110 V114H68-I73 PolarHBondContact O-N 2.88Å; I69-I73 HydrophobicContact CG1-CD1 4.17Å; I69-I73 PolarHBondContact O-N 3.19Å; I73-A76 PolarHBondContact O-N 2.98Å; I73-L77 HydrophobicContact CG2-CD1 3.75Å; I73-L77 HydrophobicContact CG2-CG 4Å; I73-L77 WeakPolarHBondContact O-CG 3.06Å; I73-L77 PolarHBondContact O-N 3.1Å; I73-M94 HydrophobicContact CG2-CG 4.04Å; I73-M94 HydrophobicContact CG2-SD 3.84Å; I73-F106 HydrophobicContact CD1-CB 4.48Å; I73-F106 HydrophobicContact CD1-CD2 4.01Å; I73-F106 HydrophobicContact CD1-CG 4.37Å; I73-F106 HydrophobicContact CG1-CD2 4.14Å; I73-F106 HydrophobicContact CG1-CE2 4.21Å; I73-A110 HydrophobicContact CD1-CB 4.27Å; I73-V114 HydrophobicContact CG2-CG1 4.4Å; I73-V114 HydrophobicContact CG2-CG2 4.17Å
74A98.5Very high97.8Very high8 Ų853.4 Ų53.47%0.06627%0.274CS..Hα-helixtrans-59.3-51.6-176.200000113I6 I69 A76 L77 V78I6-A74 HydrophobicContact CB-CB 3.64Å; I6-A74 HydrophobicContact CG2-CB 4.03Å; I69-A74 WeakPolarHBondContact O-CB 3.48Å; I69-A74 PolarHBondContact O-N 3.36Å; A74-A76 VanDerWaalsContact C-N 3.32Å; A74-A76 PolarHBondContact O-N 2.77Å; A74-L77 PolarHBondContact O-N 2.97Å; A74-V78 WeakPolarHBondContact O-CB 3.3Å; A74-V78 VanDerWaalsContact O-CG2 3.25Å; A74-V78 WeakPolarHBondContact O-CG2 3.19Å; A74-V78 PolarHBondContact O-N 3.03Å; A74-V78 VanDerWaalsContact O-N 3.09Å
75P98.1Very high97.8Very high70 Ų7050.7 Ų50.746%0.45527%0.266SS..Hα-helixtrans-60.7-39.9176.6-24.435.7000112.9S79P75-S79 VanDerWaalsContact O-CB 3.28Å; P75-S79 WeakPolarHBondContact O-CB 3.31Å; P75-S79 PolarHBondContact O-N 2.8Å; P75-S79 PolarHBondContact O-OG 3.26Å
76A97.9Very high97.7Very high23 Ų2353.5 Ų53.519%0.1928%0.279CS..Hα-helixtrans-63.6-51.3-179.700000111.7T72 I73 A74 V78 S79 K80 M97T72-A76 WeakPolarHBondContact O-CB 3.32Å; T72-A76 PolarHBondContact O-N 3.25Å; I73-A76 PolarHBondContact O-N 2.98Å; A74-A76 VanDerWaalsContact C-N 3.32Å; A74-A76 PolarHBondContact O-N 2.77Å; A76-V78 PolarHBondContact O-N 2.87Å; A76-S79 PolarHBondContact O-N 3.22Å; A76-S79 PolarHBondContact O-OG 3.48Å; A76-K80 WeakPolarHBondContact O-CG 3.48Å; A76-K80 PolarHBondContact O-N 3.15Å; A76-M97 HydrophobicContact CB-CE 3.46Å; A76-M97 VanDerWaalsContact CB-CE 3.46Å; A76-M97 HydrophobicContact CB-SD 3.71Å
77L98Very high97.7Very high2 Ų252.7 Ų52.71%0.0127%0.274CS..Hα-helixtrans-65.2-41.5-178.9-65.4-172.1000112.6I3 I6 I73 A74 S79 K80 I90 L93 M94 V114I3-L77 HydrophobicContact CD1-CB 4.2Å; I6-L77 HydrophobicContact CD1-CB 4.13Å; I6-L77 HydrophobicContact CD1-CD1 3.85Å; I73-L77 HydrophobicContact CG2-CD1 3.75Å; I73-L77 HydrophobicContact CG2-CG 4Å; I73-L77 WeakPolarHBondContact O-CG 3.06Å; I73-L77 PolarHBondContact O-N 3.1Å; A74-L77 PolarHBondContact O-N 2.97Å; L77-S79 VanDerWaalsContact C-N 3.32Å; L77-S79 PolarHBondContact O-N 3.21Å; L77-K80 PolarHBondContact O-N 3.33Å; L77-I90 HydrophobicContact CD1-CG2 3.96Å; L77-I90 HydrophobicContact CD2-CG2 4.14Å; L77-L93 HydrophobicContact CD2-CD2 3.57Å; L77-L93 HydrophobicContact CD2-CG 4.14Å; L77-M94 HydrophobicContact CD1-CG 4.13Å; L77-M94 HydrophobicContact CD1-SD 3.93Å; L77-M94 HydrophobicContact CD2-CG 4.2Å; L77-V114 HydrophobicContact CD1-CG1 3.59Å
78V97.8Very high97.7Very high47 Ų4754.2 Ų54.229%0.28528%0.281SS..Hα-helixtrans-61.4-42.3175.7172.70000110.6I3 A74 A76 K80 K81I3-V78 HydrophobicContact CG2-CG2 3.94Å; A74-V78 WeakPolarHBondContact O-CB 3.3Å; A74-V78 VanDerWaalsContact O-CG2 3.25Å; A74-V78 WeakPolarHBondContact O-CG2 3.19Å; A74-V78 PolarHBondContact O-N 3.03Å; A74-V78 VanDerWaalsContact O-N 3.09Å; A76-V78 PolarHBondContact O-N 2.87Å; V78-K80 VanDerWaalsContact C-N 3.31Å; V78-K80 PolarHBondContact O-N 2.94Å; V78-K81 PolarHBondContact O-N 3.36Å
79S97.3Very high97.7Very high80 Ų8057.4 Ų57.456%0.55929%0.294SS*.Hα-helixtrans-64.8-32.3-179.276.30000113.8P75 A76 L77 K81P75-S79 VanDerWaalsContact O-CB 3.28Å; P75-S79 WeakPolarHBondContact O-CB 3.31Å; P75-S79 PolarHBondContact O-N 2.8Å; P75-S79 PolarHBondContact O-OG 3.26Å; A76-S79 PolarHBondContact O-N 3.22Å; A76-S79 PolarHBondContact O-OG 3.48Å; L77-S79 VanDerWaalsContact C-N 3.32Å; L77-S79 PolarHBondContact O-N 3.21Å; S79-K81 VanDerWaalsContact C-N 3.29Å; S79-K81 PolarHBondContact O-N 3.12Å
80K96Very high97.7Very high128 Ų12857.4 Ų57.456%0.55729%0.294SS*.Hα-helixtrans-75.5-16.8-177.9-67.9-72.3-175.5179.90113.6A76 L77 V78 L82 L93A76-K80 WeakPolarHBondContact O-CG 3.48Å; A76-K80 PolarHBondContact O-N 3.15Å; L77-K80 PolarHBondContact O-N 3.33Å; V78-K80 VanDerWaalsContact C-N 3.31Å; V78-K80 PolarHBondContact O-N 2.94Å; K80-L82 HydrophobicContact CB-CD1 4.29Å; K80-L82 HydrophobicContact CB-CG 3.93Å; K80-L82 PolarHBondContact O-N 3.5Å; K80-L82 VanDerWaalsContact O-N 3.14Å; K80-L93 HydrophobicContact CB-CD2 4.44Å; K80-L93 HydrophobicContact CG-CD2 3.8Å
81K93.8Very high97.7Very high166 Ų16655 Ų5572%0.72228%0.281SS*.THydrogen-bonded Turntrans52.331.9-179.7-54.8-176.5-177.8-179.40113.8V78 S79V78-K81 PolarHBondContact O-N 3.36Å; S79-K81 VanDerWaalsContact C-N 3.29Å; S79-K81 PolarHBondContact O-N 3.12Å
82L94.9Very high97.7Very high38 Ų3854.2 Ų54.220%0.19928%0.278CS..  trans-64147.6175.6-63.9174.3000110.4S2 K80 I90 L93S2-L82 WeakPolarHBondContact CA-O 3.39Å; K80-L82 HydrophobicContact CB-CD1 4.29Å; K80-L82 HydrophobicContact CB-CG 3.93Å; K80-L82 PolarHBondContact O-N 3.5Å; K80-L82 VanDerWaalsContact O-N 3.14Å; L82-I90 HydrophobicContact CB-CD1 4.27Å; L82-I90 HydrophobicContact CB-CG1 3.95Å; L82-I90 HydrophobicContact CD1-CG1 3.77Å; L82-L93 HydrophobicContact CD1-CD2 4.02Å
83N96.7Very high97.6Very high48 Ų4852.9 Ų52.926%0.25727%0.268SS..BIsolated β-bridgetrans-76.5134173.9-170.3-24.6000109.5M1 T85 E86 I90M1-N83 PolarHBondContact N-ND2 2.87Å; M1-N83 PolarHBondContact N-OD1 2.87Å; M1-N83 WeakPolarHBondContact O-CA 3.33Å; M1-N83 PolarHBondContact O-OD1 3.09Å; N83-T85 PolarHBondContact O-N 3.18Å; N83-T85 PolarHBondContact OD1-N 3.01Å; N83-T85 VanDerWaalsContact OD1-N 3.14Å; N83-T85 PolarHBondContact OD1-OG1 3.12Å; N83-E86 HydrophobicContact CB-CG 4.09Å; N83-E86 PolarHBondContact N-OE2 3.35Å; N83-E86 VanDerWaalsContact O-CB 3.3Å; N83-E86 WeakPolarHBondContact O-CB 3.36Å; N83-E86 PolarHBondContact O-N 2.93Å; N83-I90 WeakPolarHBondContact O-CD1 3.16Å
84V97.9Very high97.7Very high0 Ų052.9 Ų52.90%027%0.268CS..THydrogen-bonded Turntrans-58.4-17.1176.7-66.60000114.2M1 I3 L24 T26 E86 A121 E125M1-V84 PolarHBondContact O-N 2.78Å; M1-V84 VanDerWaalsContact O-N 3.08Å; I3-V84 HydrophobicContact CD1-CG1 4.39Å; I3-V84 HydrophobicContact CG1-CG1 3.63Å; L24-V84 HydrophobicContact CD2-CG1 4.26Å; T26-V84 HydrophobicContact CG2-CG1 3.96Å; V84-E86 VanDerWaalsContact C-N 3.26Å; V84-E86 PolarHBondContact O-N 3.38Å; V84-A121 HydrophobicContact CB-CB 3.98Å; V84-A121 HydrophobicContact CG1-CB 3.99Å; V84-A121 HydrophobicContact CG2-CB 4.08Å; V84-E125 HydrophobicContact CG2-CB 3.91Å; V84-E125 HydrophobicContact CG2-CG 4.3Å
85T97.9Very high97.6Very high39 Ų3954.6 Ų54.624%0.23928%0.276CS..THydrogen-bonded Turntrans-75.5-12.6171.5570000113.7N83 Q87 E125 K126N83-T85 PolarHBondContact O-N 3.18Å; N83-T85 PolarHBondContact OD1-N 3.01Å; N83-T85 VanDerWaalsContact OD1-N 3.14Å; N83-T85 PolarHBondContact OD1-OG1 3.12Å; T85-Q87 VanDerWaalsContact C-N 3.27Å; T85-Q87 PolarHBondContact O-N 2.52Å; T85-E125 HydrophobicContact CG2-CB 4.05Å; T85-E125 HydrophobicContact CG2-CG 3.58Å; T85-K126 HydrophobicContact CG2-CG 3.95Å
86E97.9Very high97.7Very high59 Ų5957 Ų5728%0.27628%0.281SS..  trans-9054.2179.9-58.4177.8107.600111.2N83 V84 E88 K89 I90N83-E86 HydrophobicContact CB-CG 4.09Å; N83-E86 PolarHBondContact N-OE2 3.35Å; N83-E86 VanDerWaalsContact O-CB 3.3Å; N83-E86 WeakPolarHBondContact O-CB 3.36Å; N83-E86 PolarHBondContact O-N 2.93Å; V84-E86 VanDerWaalsContact C-N 3.26Å; V84-E86 PolarHBondContact O-N 3.38Å; E86-E88 VanDerWaalsContact C-N 3.3Å; E86-E88 PolarHBondContact O-N 2.98Å; E86-K89 HydrophobicContact CB-CB 4.11Å; E86-K89 HydrophobicContact CB-CD 4.14Å; E86-K89 HydrophobicContact CB-CG 4.28Å; E86-K89 HydrophobicContact CG-CD 4.4Å; E86-K89 PolarHBondContact O-N 3.18Å; E86-K89 WeakPolarHBondContact OE1-CD 3.41Å; E86-K89 WeakPolarHBondContact OE1-CE 3.4Å; E86-K89 IonicContact OE1-NZ 2.88Å; E86-K89 PolarHBondContact OE1-NZ 2.94Å; E86-I90 PolarHBondContact O-N 3.39Å; E86-I90 VanDerWaalsContact O-N 3.07Å
87Q98.7Very high97.7Very high2 Ų257.9 Ų57.91%0.00928%0.282CS..Hα-helixtrans-46.5-50.6-176.3-174.868.947.100112.4T85 K89 I90 D91 S115 C119 L137 V350T85-Q87 VanDerWaalsContact C-N 3.27Å; T85-Q87 PolarHBondContact O-N 2.52Å; Q87-K89 VanDerWaalsContact C-N 3.35Å; Q87-K89 PolarHBondContact O-N 3Å; Q87-I90 PolarHBondContact O-N 2.86Å; Q87-D91 VanDerWaalsContact NE2-CG 3.32Å; Q87-D91 PolarHBondContact NE2-OD1 2.88Å; Q87-D91 VanDerWaalsContact NE2-OD1 3.14Å; Q87-D91 PolarHBondContact NE2-OD2 2.92Å; Q87-D91 WeakPolarHBondContact O-CB 3.34Å; Q87-D91 PolarHBondContact O-N 3.3Å; Q87-S115 PolarHBondContact NE2-O 3.45Å; Q87-S115 VanDerWaalsContact NE2-O 3.1Å; Q87-S115 PolarHBondContact NE2-OG 2.78Å; Q87-C119 VanDerWaalsContact OE1-CB 3.25Å; Q87-C119 VanDerWaalsContact OE1-N 3.13Å; Q87-L137 HydrophobicContact CB-CD1 3.99Å; Q87-L137 HydrophobicContact CB-CD2 3.99Å; Q87-L137 HydrophobicContact CG-CD1 4.11Å; Q87-V350 HydrophobicContact CG-CB 4.36Å; Q87-V350 HydrophobicContact CG-CG1 4.27Å
88E98.4Very high97.7Very high125 Ų12557.9 Ų57.958%0.58428%0.282SS*.Hα-helixtrans-60.7-40.6-179.1-179.2176.5-172.800112.6E86 K92 T351E86-E88 VanDerWaalsContact C-N 3.3Å; E86-E88 PolarHBondContact O-N 2.98Å; E88-K92 WeakPolarHBondContact O-CB 3.33Å; E88-K92 PolarHBondContact O-N 2.83Å; E88-T351 WeakPolarHBondContact CA-OG1 3.24Å; E88-T351 HydrophobicContact CB-CG2 4.24Å; E88-T351 HydrophobicContact CG-CG2 4.04Å
89K98.2Very high97.7Very high120 Ų12058.6 Ų58.652%0.52230%0.299SS..Hα-helixtrans-69-39.3179.2-65.2-173.6-174.1170.80111.5E86 Q87 L93E86-K89 HydrophobicContact CB-CB 4.11Å; E86-K89 HydrophobicContact CB-CD 4.14Å; E86-K89 HydrophobicContact CB-CG 4.28Å; E86-K89 HydrophobicContact CG-CD 4.4Å; E86-K89 PolarHBondContact O-N 3.18Å; E86-K89 WeakPolarHBondContact OE1-CD 3.41Å; E86-K89 WeakPolarHBondContact OE1-CE 3.4Å; E86-K89 IonicContact OE1-NZ 2.88Å; E86-K89 PolarHBondContact OE1-NZ 2.94Å; Q87-K89 VanDerWaalsContact C-N 3.35Å; Q87-K89 PolarHBondContact O-N 3Å; K89-L93 WeakPolarHBondContact O-CB 3.24Å; K89-L93 PolarHBondContact O-N 3.01Å; K89-L93 VanDerWaalsContact O-N 3.08Å
90I98.6Very high97.8Very high0 Ų057 Ų570%029%0.285CS..Hα-helixtrans-70.2-46.7179.8-66.6166.9000110.4I3 L77 L82 N83 E86 Q87 L93 M94 V118I3-I90 HydrophobicContact CD1-CD1 4.39Å; L77-I90 HydrophobicContact CD1-CG2 3.96Å; L77-I90 HydrophobicContact CD2-CG2 4.14Å; L82-I90 HydrophobicContact CB-CD1 4.27Å; L82-I90 HydrophobicContact CB-CG1 3.95Å; L82-I90 HydrophobicContact CD1-CG1 3.77Å; N83-I90 WeakPolarHBondContact O-CD1 3.16Å; E86-I90 PolarHBondContact O-N 3.39Å; E86-I90 VanDerWaalsContact O-N 3.07Å; Q87-I90 PolarHBondContact O-N 2.86Å; I90-L93 PolarHBondContact O-N 2.9Å; I90-M94 HydrophobicContact CG2-CE 4.19Å; I90-M94 WeakPolarHBondContact O-CG 3.34Å; I90-M94 PolarHBondContact O-N 3.08Å; I90-M94 VanDerWaalsContact O-N 3.09Å; I90-V118 HydrophobicContact CB-CG1 4.4Å; I90-V118 HydrophobicContact CD1-CG1 3.55Å; I90-V118 HydrophobicContact CD1-CG2 4.43Å; I90-V118 HydrophobicContact CG2-CG1 4.28Å; I90-V118 HydrophobicContact CG2-CG2 3.94Å
91D98.7Very high97.7Very high0 Ų057.8 Ų57.80%029%0.291CS..Hα-helixtrans-61.4-47.6176.8-74.5-20000111.2Q87 L93 M94 I95 S115 T351Q87-D91 VanDerWaalsContact NE2-CG 3.32Å; Q87-D91 PolarHBondContact NE2-OD1 2.88Å; Q87-D91 VanDerWaalsContact NE2-OD1 3.14Å; Q87-D91 PolarHBondContact NE2-OD2 2.92Å; Q87-D91 WeakPolarHBondContact O-CB 3.34Å; Q87-D91 PolarHBondContact O-N 3.3Å; D91-L93 VanDerWaalsContact C-N 3.3Å; D91-L93 PolarHBondContact O-N 3.35Å; D91-M94 PolarHBondContact O-N 3.44Å; D91-M94 VanDerWaalsContact O-N 3.13Å; D91-M94 VanDerWaalsContact OD1-CE 3.32Å; D91-M94 WeakPolarHBondContact OD1-CE 3.31Å; D91-I95 WeakPolarHBondContact O-CD1 3.35Å; D91-I95 VanDerWaalsContact O-CG1 3.25Å; D91-I95 WeakPolarHBondContact O-CG1 3.31Å; D91-I95 PolarHBondContact O-N 3Å; D91-S115 WeakPolarHBondContact OD1-CB 3.15Å; D91-S115 PolarHBondContact OD1-OG 2.96Å; D91-S115 PolarHBondContact OD2-OG 2.89Å; D91-T351 WeakPolarHBondContact CB-OG1 3.42Å; D91-T351 WeakPolarHBondContact OD2-CB 3.2Å; D91-T351 PolarHBondContact OD2-N 2.88Å; D91-T351 PolarHBondContact OD2-OG1 3.35Å
92K98.4Very high97.9Very high124 Ų12453.2 Ų53.254%0.53927%0.274SS..Hα-helixtrans-56.9-43.7176.9-179.3172.2176.31730112E88 M94 I95 E96E88-K92 WeakPolarHBondContact O-CB 3.33Å; E88-K92 PolarHBondContact O-N 2.83Å; K92-M94 PolarHBondContact O-N 3.41Å; K92-I95 PolarHBondContact O-N 3.23Å; K92-E96 WeakPolarHBondContact CE-OE1 3.37Å; K92-E96 HydrophobicContact CG-CG 4.36Å; K92-E96 WeakPolarHBondContact CG-OE1 3.2Å; K92-E96 IonicContact NZ-OE1 3.53Å; K92-E96 WeakPolarHBondContact O-CB 3.28Å; K92-E96 VanDerWaalsContact O-CG 3.3Å; K92-E96 WeakPolarHBondContact O-CG 3.34Å; K92-E96 PolarHBondContact O-N 3.47Å
93L98.4Very high98Very high31 Ų3151.6 Ų51.616%0.16227%0.266CS..Hα-helixtrans-61.4-43.9176.8175.860.4000111.9L77 K80 L82 K89 I90 D91 E96 M97L77-L93 HydrophobicContact CD2-CD2 3.57Å; L77-L93 HydrophobicContact CD2-CG 4.14Å; K80-L93 HydrophobicContact CB-CD2 4.44Å; K80-L93 HydrophobicContact CG-CD2 3.8Å; L82-L93 HydrophobicContact CD1-CD2 4.02Å; K89-L93 WeakPolarHBondContact O-CB 3.24Å; K89-L93 PolarHBondContact O-N 3.01Å; K89-L93 VanDerWaalsContact O-N 3.08Å; I90-L93 PolarHBondContact O-N 2.9Å; D91-L93 VanDerWaalsContact C-N 3.3Å; D91-L93 PolarHBondContact O-N 3.35Å; L93-E96 PolarHBondContact O-N 2.89Å; L93-M97 HydrophobicContact CD1-CG 4.13Å; L93-M97 HydrophobicContact CD1-SD 4.07Å; L93-M97 HydrophobicContact CG-SD 3.97Å; L93-M97 WeakPolarHBondContact O-CB 3.17Å; L93-M97 WeakPolarHBondContact O-CG 3.46Å; L93-M97 PolarHBondContact O-N 2.82Å
94M98.7Very high98.1Very high0 Ų051.5 Ų51.50%027%0.269CS..Hα-helixtrans-64.7-41.1177.6-67.2-172.2-66.900112.2I73 L77 I90 D91 K92 M97 D98 I111 V114I73-M94 HydrophobicContact CG2-CG 4.04Å; I73-M94 HydrophobicContact CG2-SD 3.84Å; L77-M94 HydrophobicContact CD1-CG 4.13Å; L77-M94 HydrophobicContact CD1-SD 3.93Å; L77-M94 HydrophobicContact CD2-CG 4.2Å; I90-M94 HydrophobicContact CG2-CE 4.19Å; I90-M94 WeakPolarHBondContact O-CG 3.34Å; I90-M94 PolarHBondContact O-N 3.08Å; I90-M94 VanDerWaalsContact O-N 3.09Å; D91-M94 PolarHBondContact O-N 3.44Å; D91-M94 VanDerWaalsContact O-N 3.13Å; D91-M94 VanDerWaalsContact OD1-CE 3.32Å; D91-M94 WeakPolarHBondContact OD1-CE 3.31Å; K92-M94 PolarHBondContact O-N 3.41Å; M94-M97 PolarHBondContact O-N 2.93Å; M94-D98 PolarHBondContact O-N 2.96Å; M94-I111 HydrophobicContact CB-CG2 3.97Å; M94-I111 HydrophobicContact CE-CG2 4Å; M94-I111 HydrophobicContact SD-CG2 4.34Å; M94-V114 HydrophobicContact CE-CB 4.37Å; M94-V114 HydrophobicContact CE-CG1 4.3Å; M94-V114 HydrophobicContact SD-CB 3.7Å; M94-V114 HydrophobicContact SD-CG1 3.6Å; M94-V114 VanDerWaalsContact SD-CG1 3.6Å; M94-V114 HydrophobicContact SD-CG2 4.5Å
95I98.4Very high98.1Very high44 Ų4456.9 Ų56.923%0.22629%0.292CS..Hα-helixtrans-63.6-45177.1-66.1161000110.7D91 K92 M97 D98 G99 E352D91-I95 WeakPolarHBondContact O-CD1 3.35Å; D91-I95 VanDerWaalsContact O-CG1 3.25Å; D91-I95 WeakPolarHBondContact O-CG1 3.31Å; D91-I95 PolarHBondContact O-N 3Å; K92-I95 PolarHBondContact O-N 3.23Å; I95-M97 PolarHBondContact O-N 2.93Å; I95-D98 PolarHBondContact O-N 3.07Å; I95-G99 PolarHBondContact O-N 3.49Å; I95-E352 HydrophobicContact CD1-CG 4.13Å; I95-E352 VanDerWaalsContact CD1-OE2 3.27Å; I95-E352 WeakPolarHBondContact CD1-OE2 3.31Å
96E98.4Very high98.1Very high120 Ų12055.2 Ų55.256%0.56128%0.282SS*.Hα-helixtrans-65.2-37.1176.7-73.8173.5178.900112.4K92 L93 G99K92-E96 WeakPolarHBondContact CE-OE1 3.37Å; K92-E96 HydrophobicContact CG-CG 4.36Å; K92-E96 WeakPolarHBondContact CG-OE1 3.2Å; K92-E96 IonicContact NZ-OE1 3.53Å; K92-E96 WeakPolarHBondContact O-CB 3.28Å; K92-E96 VanDerWaalsContact O-CG 3.3Å; K92-E96 WeakPolarHBondContact O-CG 3.34Å; K92-E96 PolarHBondContact O-N 3.47Å; L93-E96 PolarHBondContact O-N 2.89Å; E96-G99 PolarHBondContact O-N 3.18Å
97M98.4Very high98.1Very high42 Ų4252.4 Ų52.421%0.20727%0.269CS..Hα-helixtrans-67.4-35.8176.3-74.8172.454.600112.8T72 A76 L93 M94 I95 K105 F106T72-M97 HydrophobicContact CG2-CE 4.21Å; A76-M97 HydrophobicContact CB-CE 3.46Å; A76-M97 VanDerWaalsContact CB-CE 3.46Å; A76-M97 HydrophobicContact CB-SD 3.71Å; L93-M97 HydrophobicContact CD1-CG 4.13Å; L93-M97 HydrophobicContact CD1-SD 4.07Å; L93-M97 HydrophobicContact CG-SD 3.97Å; L93-M97 WeakPolarHBondContact O-CB 3.17Å; L93-M97 WeakPolarHBondContact O-CG 3.46Å; L93-M97 PolarHBondContact O-N 2.82Å; M94-M97 PolarHBondContact O-N 2.93Å; I95-M97 PolarHBondContact O-N 2.93Å; M97-K105 PolarHBondContact O-NZ 2.9Å; M97-F106 VanDerWaalsContact C-CE2 3.46Å; M97-F106 HydrophobicContact CB-CE2 3.69Å; M97-F106 HydrophobicContact CB-CZ 4.11Å; M97-F106 HydrophobicContact CE-CE2 4.4Å; M97-F106 HydrophobicContact CE-CZ 4.48Å; M97-F106 WeakPolarHBondContact O-CZ 3.35Å
98D98.6Very high98.1Very high3 Ų352.4 Ų52.42%0.01627%0.269CS..Hα-helixtrans-66.3-52.6171179.9-76.9000109.9M94 I95 T100 K103 K105 F106 I111M94-D98 PolarHBondContact O-N 2.96Å; I95-D98 PolarHBondContact O-N 3.07Å; D98-T100 VanDerWaalsContact C-N 3.27Å; D98-T100 PolarHBondContact O-N 3.39Å; D98-T100 WeakPolarHBondContact OD1-CB 3.31Å; D98-T100 PolarHBondContact OD1-N 3.09Å; D98-T100 PolarHBondContact OD1-OG1 3.1Å; D98-K103 WeakPolarHBondContact OD1-CA 3.43Å; D98-K103 VanDerWaalsContact OD2-C 3.3Å; D98-K105 WeakPolarHBondContact O-CD 3.4Å; D98-K105 WeakPolarHBondContact OD2-CB 3.43Å; D98-K105 PolarHBondContact OD2-N 2.89Å; D98-F106 HydrophobicContact CB-CD2 3.68Å; D98-F106 HydrophobicContact CB-CE2 4.02Å; D98-F106 HydrophobicContact CB-CG 4.33Å; D98-F106 VanDerWaalsContact N-CE2 3.33Å; D98-F106 PolarHBondContact OD2-N 3.21Å; D98-I111 HydrophobicContact CB-CD1 3.87Å
99G98.1Very high98.1Very high62 Ų6246.6 Ų46.664%0.63924%0.242SC*.  trans74.310.7172.400000114.9I95 E96I95-G99 PolarHBondContact O-N 3.49Å; E96-G99 PolarHBondContact O-N 3.18Å
100T98.2Very high98.2Very high45 Ų4540.9 Ų40.928%0.27622%0.217SC..SBendtrans-114.3151.8176.4730000111.3D98 N102 K103 S104 K105D98-T100 VanDerWaalsContact C-N 3.27Å; D98-T100 PolarHBondContact O-N 3.39Å; D98-T100 WeakPolarHBondContact OD1-CB 3.31Å; D98-T100 PolarHBondContact OD1-N 3.09Å; D98-T100 PolarHBondContact OD1-OG1 3.1Å; T100-N102 VanDerWaalsContact C-N 3.34Å; T100-N102 PolarHBondContact O-N 3.09Å; T100-K103 PolarHBondContact O-N 2.78Å; T100-K103 VanDerWaalsContact OG1-CA 3.29Å; T100-K103 WeakPolarHBondContact OG1-CA 3.32Å; T100-K103 PolarHBondContact OG1-N 2.94Å; T100-K103 VanDerWaalsContact OG1-N 3.13Å; T100-S104 PolarHBondContact OG1-N 3.3Å; T100-S104 PolarHBondContact OG1-OG 3.11Å; T100-K105 HydrophobicContact CG2-CB 3.99Å
101E95.3Very high98.2Very high146 Ų14640.9 Ų40.968%0.68222%0.217SC*.THydrogen-bonded Turntrans-63.5-38.1-176.5179.7169-164.800112.9K326E101-K326 IonicContact OE1-NZ 3.47Å; E101-K326 PolarHBondContact OE1-NZ 2.69Å
102N96.4Very high98.2Very high69 Ų6940.9 Ų40.937%0.36922%0.217SC..THydrogen-bonded Turntrans-107.318-176.567.5-21.7000113A46 L47 T100 S104A46-N102 CarbonylContact C-O 3.57Å; A46-N102 WeakPolarHBondContact CA-O 3.33Å; L47-N102 PolarHBondContact N-O 3.37Å; T100-N102 VanDerWaalsContact C-N 3.34Å; T100-N102 PolarHBondContact O-N 3.09Å; N102-S104 PolarHBondContact O-N 3.08Å; N102-S104 VanDerWaalsContact OD1-CB 3.26Å; N102-S104 WeakPolarHBondContact OD1-CB 3.35Å; N102-S104 PolarHBondContact OD1-OG 2.87Å
103K98.3Very high98.2Very high4 Ų435 Ų352%0.01719%0.192CC..  trans60.629.8178.6-57.3171.9171.569.90113.7A46 D98 T100 K105 G107 A108 I111 I347 E352A46-K103 HydrophobicContact CB-CD 4.3Å; D98-K103 WeakPolarHBondContact OD1-CA 3.43Å; D98-K103 VanDerWaalsContact OD2-C 3.3Å; T100-K103 PolarHBondContact O-N 2.78Å; T100-K103 VanDerWaalsContact OG1-CA 3.29Å; T100-K103 WeakPolarHBondContact OG1-CA 3.32Å; T100-K103 PolarHBondContact OG1-N 2.94Å; T100-K103 VanDerWaalsContact OG1-N 3.13Å; K103-K105 VanDerWaalsContact C-N 3.29Å; K103-K105 PolarHBondContact O-N 2.97Å; K103-G107 CarbonylContact O-C 3.57Å; K103-G107 WeakPolarHBondContact O-CA 3.33Å; K103-G107 PolarHBondContact O-N 3.44Å; K103-A108 HydrophobicContact CB-CB 4.26Å; K103-A108 HydrophobicContact CD-CB 4.19Å; K103-I111 HydrophobicContact CB-CD1 4Å; K103-I111 HydrophobicContact CD-CD1 3.92Å; K103-I111 HydrophobicContact CG-CD1 3.84Å; K103-I347 WeakPolarHBondContact CD-O 3.38Å; K103-I347 WeakPolarHBondContact CE-O 3.15Å; K103-I347 PolarHBondContact NZ-O 3.46Å; K103-E352 WeakPolarHBondContact CE-OE2 3.39Å; K103-E352 IonicContact NZ-OE1 3.42Å; K103-E352 PolarHBondContact NZ-OE1 3.03Å; K103-E352 IonicContact NZ-OE2 3.65Å; K103-E352 PolarHBondContact NZ-OE2 3.22Å
104S97.6Very high98.2Very high46 Ų4633.5 Ų33.532%0.32218%0.184SC..THydrogen-bonded Turntrans-73.1-14-173.863.10000115T100 N102T100-S104 PolarHBondContact OG1-N 3.3Å; T100-S104 PolarHBondContact OG1-OG 3.11Å; N102-S104 PolarHBondContact O-N 3.08Å; N102-S104 VanDerWaalsContact OD1-CB 3.26Å; N102-S104 WeakPolarHBondContact OD1-CB 3.35Å; N102-S104 PolarHBondContact OD1-OG 2.87Å
105K98.3Very high98.2Very high113 Ų11333.5 Ų33.549%0.49118%0.184SC..THydrogen-bonded Turntrans-78.9-47.6-178.7-179.3-172.5177-1730111.5H68 M97 D98 T100 K103H68-K105 PolarHBondContact NE2-O 2.72Å; M97-K105 PolarHBondContact O-NZ 2.9Å; D98-K105 WeakPolarHBondContact O-CD 3.4Å; D98-K105 WeakPolarHBondContact OD2-CB 3.43Å; D98-K105 PolarHBondContact OD2-N 2.89Å; T100-K105 HydrophobicContact CG2-CB 3.99Å; K103-K105 VanDerWaalsContact C-N 3.29Å; K103-K105 PolarHBondContact O-N 2.97Å
106F98.5Very high98.2Very high5 Ų531.6 Ų31.62%0.02217%0.174CC..THydrogen-bonded Turntrans-98-25.4177.6-60.8-29.4000112.9L49 H68 T72 I73 M97 D98 A110 I111L49-F106 VanDerWaalsContact CD2-O 3.29Å; L49-F106 WeakPolarHBondContact CD2-O 3.4Å; H68-F106 HydrophobicContact CB-CB 4.28Å; H68-F106 HydrophobicContact CB-CD1 4.11Å; H68-F106 HydrophobicContact CB-CG 4.43Å; H68-F106 AromaticContact CG-CD1 3.87Å; H68-F106 AromaticContact ND1-CD1 3.7Å; T72-F106 HydrophobicContact CG2-CE1 4Å; T72-F106 HydrophobicContact CG2-CZ 3.87Å; I73-F106 HydrophobicContact CD1-CB 4.48Å; I73-F106 HydrophobicContact CD1-CD2 4.01Å; I73-F106 HydrophobicContact CD1-CG 4.37Å; I73-F106 HydrophobicContact CG1-CD2 4.14Å; I73-F106 HydrophobicContact CG1-CE2 4.21Å; M97-F106 VanDerWaalsContact C-CE2 3.46Å; M97-F106 HydrophobicContact CB-CE2 3.69Å; M97-F106 HydrophobicContact CB-CZ 4.11Å; M97-F106 HydrophobicContact CE-CE2 4.4Å; M97-F106 HydrophobicContact CE-CZ 4.48Å; M97-F106 WeakPolarHBondContact O-CZ 3.35Å; D98-F106 HydrophobicContact CB-CD2 3.68Å; D98-F106 HydrophobicContact CB-CE2 4.02Å; D98-F106 HydrophobicContact CB-CG 4.33Å; D98-F106 VanDerWaalsContact N-CE2 3.33Å; D98-F106 PolarHBondContact OD2-N 3.21Å; F106-A110 HydrophobicContact CB-CB 4.15Å; F106-A110 VanDerWaalsContact O-CB 3.23Å; F106-A110 WeakPolarHBondContact O-CB 3.44Å; F106-I111 HydrophobicContact CB-CG1 4.48Å; F106-I111 HydrophobicContact CD2-CG1 4.49Å
107G98.3Very high98.3Very high0 Ų025.9 Ų25.90%015%0.147CC..  trans92.1136.1-166.300000111.6L47 K103 N109 A110 I111L47-G107 CarbonylContact O-C 3.6Å; L47-G107 WeakPolarHBondContact O-CA 3.45Å; K103-G107 CarbonylContact O-C 3.57Å; K103-G107 WeakPolarHBondContact O-CA 3.33Å; K103-G107 PolarHBondContact O-N 3.44Å; G107-N109 WeakPolarHBondContact CA-OD1 3.43Å; G107-N109 PolarHBondContact O-N 2.86Å; G107-A110 WeakPolarHBondContact O-CB 3.47Å; G107-A110 PolarHBondContact O-N 3.07Å; G107-I111 PolarHBondContact O-N 3.12Å
108A98.4Very high98.3Very high2 Ų223.9 Ų23.92%0.01714%0.137CC..Hα-helixtrans-57.7-33.7172.200000111.7A46 L47 K103 A110 I111 L112A46-A108 HydrophobicContact CB-CB 3.58Å; L47-A108 WeakPolarHBondContact O-CB 3.24Å; L47-A108 PolarHBondContact O-N 2.71Å; K103-A108 HydrophobicContact CB-CB 4.26Å; K103-A108 HydrophobicContact CD-CB 4.19Å; A108-A110 VanDerWaalsContact C-N 3.32Å; A108-A110 PolarHBondContact O-N 2.61Å; A108-I111 PolarHBondContact O-N 3.06Å; A108-L112 WeakPolarHBondContact O-CB 3.27Å; A108-L112 PolarHBondContact O-N 3.08Å
109N98.6Very high98.3Very high3 Ų323.7 Ų23.72%0.01614%0.137CC..Hα-helixtrans-65.1-31.1173.456.6-21.5000113.5V20 V35 E48 L49 G107 G113V20-N109 HydrophobicContact CG2-CB 4.27Å; V35-N109 HydrophobicContact CG1-CB 3.95Å; V35-N109 WeakPolarHBondContact CG2-O 3.46Å; E48-N109 HydrophobicContact CG-CB 4.28Å; L49-N109 PolarHBondContact N-OD1 3.5Å; L49-N109 PolarHBondContact O-ND2 2.99Å; G107-N109 WeakPolarHBondContact CA-OD1 3.43Å; G107-N109 PolarHBondContact O-N 2.86Å; N109-G113 PolarHBondContact O-N 2.86Å
110A98.8Very high98.3Very high0 Ų022.6 Ų22.60%011%0.114CC..Hα-helixtrans-70.5-48.5173.900000111.7A65 I69 I73 F106 G107 A108A65-A110 HydrophobicContact CB-CB 4.25Å; I69-A110 HydrophobicContact CD1-CB 4.15Å; I69-A110 WeakPolarHBondContact CD1-O 3.42Å; I69-A110 HydrophobicContact CG1-CB 3.83Å; I73-A110 HydrophobicContact CD1-CB 4.27Å; F106-A110 HydrophobicContact CB-CB 4.15Å; F106-A110 VanDerWaalsContact O-CB 3.23Å; F106-A110 WeakPolarHBondContact O-CB 3.44Å; G107-A110 WeakPolarHBondContact O-CB 3.47Å; G107-A110 PolarHBondContact O-N 3.07Å; A108-A110 VanDerWaalsContact C-N 3.32Å; A108-A110 PolarHBondContact O-N 2.61Å
111I98.8Very high98.4Very high0 Ų020.5 Ų20.50%010%0.101CC..Hα-helixtrans-67.3-46-177.6-62.4176.2000110.6M94 D98 K103 F106 G107 A108 G113 V114 S115 G348M94-I111 HydrophobicContact CB-CG2 3.97Å; M94-I111 HydrophobicContact CE-CG2 4Å; M94-I111 HydrophobicContact SD-CG2 4.34Å; D98-I111 HydrophobicContact CB-CD1 3.87Å; K103-I111 HydrophobicContact CB-CD1 4Å; K103-I111 HydrophobicContact CD-CD1 3.92Å; K103-I111 HydrophobicContact CG-CD1 3.84Å; F106-I111 HydrophobicContact CB-CG1 4.48Å; F106-I111 HydrophobicContact CD2-CG1 4.49Å; G107-I111 PolarHBondContact O-N 3.12Å; A108-I111 PolarHBondContact O-N 3.06Å; I111-G113 PolarHBondContact O-N 2.65Å; I111-V114 PolarHBondContact O-N 3Å; I111-S115 WeakPolarHBondContact O-CB 3.37Å; I111-S115 PolarHBondContact O-N 3.26Å; I111-G348 WeakPolarHBondContact CG2-O 3.38Å
112L98.9Very high98.5Very high0 Ų013.5 Ų13.50%07%0.069CC..Hα-helixtrans-63.4-44.2-175.9-179.363.9000112V35 A108 V114 S115 L116 V344 N345 G348V35-L112 HydrophobicContact CG1-CD2 4.02Å; V35-L112 HydrophobicContact CG2-CB 4.39Å; V35-L112 HydrophobicContact CG2-CG 4.43Å; A108-L112 WeakPolarHBondContact O-CB 3.27Å; A108-L112 PolarHBondContact O-N 3.08Å; L112-V114 PolarHBondContact O-N 3.16Å; L112-S115 WeakPolarHBondContact O-CB 3.26Å; L112-S115 PolarHBondContact O-N 3.32Å; L112-S115 VanDerWaalsContact O-N 3.07Å; L112-L116 HydrophobicContact CD1-CD1 4.06Å; L112-L116 HydrophobicContact CD1-CD2 3.98Å; L112-L116 HydrophobicContact CD1-CG 3.75Å; L112-L116 HydrophobicContact CD2-CD1 4.27Å; L112-L116 HydrophobicContact CG-CD1 3.8Å; L112-L116 HydrophobicContact CG-CG 3.97Å; L112-L116 VanDerWaalsContact O-CG 3.28Å; L112-L116 WeakPolarHBondContact O-CG 3.22Å; L112-L116 PolarHBondContact O-N 2.86Å; L112-V344 HydrophobicContact CD1-CB 4.15Å; L112-V344 HydrophobicContact CD1-CG2 4.2Å; L112-V344 HydrophobicContact CD2-CB 4.46Å; L112-V344 HydrophobicContact CD2-CG2 3.89Å; L112-N345 VanDerWaalsContact CD2-CA 3.45Å; L112-N345 HydrophobicContact CD2-CB 3.44Å; L112-N345 VanDerWaalsContact CD2-CB 3.44Å; L112-G348 WeakPolarHBondContact CA-O 3.34Å; L112-G348 PolarHBondContact N-O 2.77Å
113G98.8Very high98.6Very high0 Ų010.4 Ų10.40%05%0.052CC..Hα-helixtrans-56.1-42.2-179.400000112.2N109 I111 A117N109-G113 PolarHBondContact O-N 2.86Å; I111-G113 PolarHBondContact O-N 2.65Å; G113-A117 WeakPolarHBondContact O-CB 3.3Å; G113-A117 PolarHBondContact O-N 3Å
114V98.9Very high98.6Very high0 Ų013.5 Ų13.50%07%0.071CC..Hα-helixtrans-69.5-45.4175-1780000111.1I6 V22 I69 I73 L77 M94 I111 L112 L116 A117 V118I6-V114 HydrophobicContact CD1-CG1 4Å; I6-V114 HydrophobicContact CG2-CG2 4.35Å; V22-V114 HydrophobicContact CG1-CG2 4.13Å; V22-V114 HydrophobicContact CG2-CG2 4.24Å; I69-V114 HydrophobicContact CD1-CG2 4.46Å; I69-V114 HydrophobicContact CG1-CG2 4.14Å; I69-V114 HydrophobicContact CG2-CG2 3.75Å; I73-V114 HydrophobicContact CG2-CG1 4.4Å; I73-V114 HydrophobicContact CG2-CG2 4.17Å; L77-V114 HydrophobicContact CD1-CG1 3.59Å; M94-V114 HydrophobicContact CE-CB 4.37Å; M94-V114 HydrophobicContact CE-CG1 4.3Å; M94-V114 HydrophobicContact SD-CB 3.7Å; M94-V114 HydrophobicContact SD-CG1 3.6Å; M94-V114 VanDerWaalsContact SD-CG1 3.6Å; M94-V114 HydrophobicContact SD-CG2 4.5Å; I111-V114 PolarHBondContact O-N 3Å; L112-V114 PolarHBondContact O-N 3.16Å; V114-L116 VanDerWaalsContact C-N 3.32Å; V114-L116 PolarHBondContact O-N 3.2Å; V114-A117 PolarHBondContact O-N 3.24Å; V114-V118 HydrophobicContact CG1-CG2 4.17Å; V114-V118 WeakPolarHBondContact O-CB 3.46Å; V114-V118 VanDerWaalsContact O-CG2 3.22Å; V114-V118 WeakPolarHBondContact O-CG2 3.22Å; V114-V118 PolarHBondContact O-N 3.22Å
115S98.9Very high98.6Very high0 Ų014 Ų140%07%0.069CC..Hα-helixtrans-54.9-44.9179.2-171.60000112.6Q87 D91 I111 L112 C119 V350Q87-S115 PolarHBondContact NE2-O 3.45Å; Q87-S115 VanDerWaalsContact NE2-O 3.1Å; Q87-S115 PolarHBondContact NE2-OG 2.78Å; D91-S115 WeakPolarHBondContact OD1-CB 3.15Å; D91-S115 PolarHBondContact OD1-OG 2.96Å; D91-S115 PolarHBondContact OD2-OG 2.89Å; I111-S115 WeakPolarHBondContact O-CB 3.37Å; I111-S115 PolarHBondContact O-N 3.26Å; L112-S115 WeakPolarHBondContact O-CB 3.26Å; L112-S115 PolarHBondContact O-N 3.32Å; L112-S115 VanDerWaalsContact O-N 3.07Å; S115-C119 PolarHBondContact O-N 3.05Å; S115-C119 VanDerWaalsContact O-N 3.08Å; S115-V350 WeakPolarHBondContact OG-CG2 3.43Å; S115-V350 PolarHBondContact OG-N 2.74Å
116L98.9Very high98.6Very high3 Ų312.7 Ų12.72%0.0166%0.063CC..Hα-helixtrans-67.1-44.6177.1-63.8174.5000111.9A33 L112 V114 V118 C119 K120 V350 F380A33-L116 HydrophobicContact CB-CB 3.42Å; A33-L116 VanDerWaalsContact CB-CB 3.42Å; A33-L116 HydrophobicContact CB-CD1 4.34Å; L112-L116 HydrophobicContact CD1-CD1 4.06Å; L112-L116 HydrophobicContact CD1-CD2 3.98Å; L112-L116 HydrophobicContact CD1-CG 3.75Å; L112-L116 HydrophobicContact CD2-CD1 4.27Å; L112-L116 HydrophobicContact CG-CD1 3.8Å; L112-L116 HydrophobicContact CG-CG 3.97Å; L112-L116 VanDerWaalsContact O-CG 3.28Å; L112-L116 WeakPolarHBondContact O-CG 3.22Å; L112-L116 PolarHBondContact O-N 2.86Å; V114-L116 VanDerWaalsContact C-N 3.32Å; V114-L116 PolarHBondContact O-N 3.2Å; L116-V118 VanDerWaalsContact C-N 3.31Å; L116-V118 PolarHBondContact O-N 2.81Å; L116-C119 WeakPolarHBondContact O-CB 3.21Å; L116-C119 PolarHBondContact O-N 2.9Å; L116-K120 WeakPolarHBondContact O-CG 3.32Å; L116-K120 PolarHBondContact O-N 2.94Å; L116-V350 HydrophobicContact CD2-CG2 3.7Å; L116-V350 HydrophobicContact CG-CG2 4.48Å; L116-F380 HydrophobicContact CB-CD2 4.42Å; L116-F380 HydrophobicContact CB-CE2 4.49Å; L116-F380 HydrophobicContact CD2-CD1 3.46Å; L116-F380 VanDerWaalsContact CD2-CD1 3.46Å; L116-F380 HydrophobicContact CD2-CD2 3.72Å; L116-F380 HydrophobicContact CD2-CE1 3.36Å; L116-F380 HydrophobicContact CD2-CE2 3.64Å; L116-F380 HydrophobicContact CD2-CG 3.64Å; L116-F380 HydrophobicContact CD2-CZ 3.47Å; L116-F380 VanDerWaalsContact CD2-CZ 3.47Å
117A98.8Very high98.6Very high0 Ų015.7 Ų15.70%010%0.095CC..Hα-helixtrans-64.5-35.9178.500000112.1V22 L24 A33 G113 V114 K120 A121V22-A117 HydrophobicContact CB-CB 4.47Å; V22-A117 HydrophobicContact CG1-CB 4.17Å; L24-A117 HydrophobicContact CB-CB 3.83Å; A33-A117 HydrophobicContact CB-CB 4.16Å; G113-A117 WeakPolarHBondContact O-CB 3.3Å; G113-A117 PolarHBondContact O-N 3Å; V114-A117 PolarHBondContact O-N 3.24Å; A117-K120 PolarHBondContact O-N 2.72Å; A117-A121 WeakPolarHBondContact O-CB 3.42Å; A117-A121 PolarHBondContact O-N 3.46Å
118V98.8Very high98.6Very high0 Ų017.8 Ų17.80%011%0.108CC..Hα-helixtrans-61.8-48.1171.7170.30000110.5I3 L24 I90 V114 L116 K120 A121 G122I3-V118 HydrophobicContact CD1-CG2 4.37Å; L24-V118 HydrophobicContact CD1-CB 4.36Å; L24-V118 HydrophobicContact CD1-CG2 3.46Å; L24-V118 VanDerWaalsContact CD1-CG2 3.46Å; I90-V118 HydrophobicContact CB-CG1 4.4Å; I90-V118 HydrophobicContact CD1-CG1 3.55Å; I90-V118 HydrophobicContact CD1-CG2 4.43Å; I90-V118 HydrophobicContact CG2-CG1 4.28Å; I90-V118 HydrophobicContact CG2-CG2 3.94Å; V114-V118 HydrophobicContact CG1-CG2 4.17Å; V114-V118 WeakPolarHBondContact O-CB 3.46Å; V114-V118 VanDerWaalsContact O-CG2 3.22Å; V114-V118 WeakPolarHBondContact O-CG2 3.22Å; V114-V118 PolarHBondContact O-N 3.22Å; L116-V118 VanDerWaalsContact C-N 3.31Å; L116-V118 PolarHBondContact O-N 2.81Å; V118-K120 VanDerWaalsContact C-N 3.31Å; V118-K120 PolarHBondContact O-N 2.91Å; V118-A121 CarbonylContact O-C 3.44Å; V118-A121 WeakPolarHBondContact O-CB 3.19Å; V118-A121 PolarHBondContact O-N 3Å; V118-A121 VanDerWaalsContact O-N 3.12Å; V118-G122 PolarHBondContact O-N 2.96Å
119C98.8Very high98.6Very high0 Ų019.6 Ų19.60%012%0.12CC..Hα-helixtrans-59.8-41.7178.7-172.20000111.8Q87 S115 L116 G122 A123 H133 V350 F380Q87-C119 VanDerWaalsContact OE1-CB 3.25Å; Q87-C119 VanDerWaalsContact OE1-N 3.13Å; S115-C119 PolarHBondContact O-N 3.05Å; S115-C119 VanDerWaalsContact O-N 3.08Å; L116-C119 WeakPolarHBondContact O-CB 3.21Å; L116-C119 PolarHBondContact O-N 2.9Å; C119-G122 PolarHBondContact O-N 3.06Å; C119-A123 PolarHBondContact O-N 2.81Å; C119-A123 VanDerWaalsContact O-N 3.12Å; C119-H133 PolarHBondContact O-CD2 3.41Å; C119-V350 HydrophobicContact CB-CG2 4.31Å; C119-F380 HydrophobicContact CB-CE2 3.94Å; C119-F380 HydrophobicContact CB-CZ 4.31Å
120K98.9Very high98.6Very high39 Ų3920.6 Ų20.617%0.1713%0.125CC..Hα-helixtrans-62-43.3174.4-69.1-179.9-172.6-172.10112.1F31 R32 A33 L116 A117 V118 A123 V124 L130 D378F31-K120 HydrophobicContact CB-CB 4.18Å; F31-K120 HydrophobicContact CD1-CB 4.43Å; R32-K120 WeakPolarHBondContact O-CD 3.33Å; R32-K120 WeakPolarHBondContact O-CE 3.47Å; R32-K120 PolarHBondContact O-NZ 3.03Å; A33-K120 HydrophobicContact CB-CD 4.43Å; L116-K120 WeakPolarHBondContact O-CG 3.32Å; L116-K120 PolarHBondContact O-N 2.94Å; A117-K120 PolarHBondContact O-N 2.72Å; V118-K120 VanDerWaalsContact C-N 3.31Å; V118-K120 PolarHBondContact O-N 2.91Å; K120-A123 PolarHBondContact O-N 2.63Å; K120-V124 PolarHBondContact O-N 3Å; K120-L130 HydrophobicContact CG-CD1 4.39Å; K120-L130 HydrophobicContact CG-CD2 4.01Å; K120-D378 IonicContact NZ-OD1 3.79Å; K120-D378 PolarHBondContact NZ-OD1 2.96Å; K120-D378 IonicContact NZ-OD2 3.94Å; K120-D378 PolarHBondContact NZ-OD2 2.98Å
121A98.7Very high98.6Very high0 Ų021.3 Ų21.30%013%0.127CC..Hα-helixtrans-66.3-37.5175.600000112.7L24 T26 F31 V84 A117 V118 A123 V124 E125L24-A121 HydrophobicContact CD2-CB 3.8Å; T26-A121 HydrophobicContact CG2-CB 4.14Å; F31-A121 HydrophobicContact CB-CB 4.17Å; F31-A121 HydrophobicContact CD1-CB 4.11Å; F31-A121 HydrophobicContact CD2-CB 3.42Å; F31-A121 VanDerWaalsContact CD2-CB 3.42Å; F31-A121 HydrophobicContact CE1-CB 4.44Å; F31-A121 HydrophobicContact CE2-CB 3.83Å; F31-A121 HydrophobicContact CG-CB 3.59Å; F31-A121 HydrophobicContact CZ-CB 4.31Å; V84-A121 HydrophobicContact CB-CB 3.98Å; V84-A121 HydrophobicContact CG1-CB 3.99Å; V84-A121 HydrophobicContact CG2-CB 4.08Å; A117-A121 WeakPolarHBondContact O-CB 3.42Å; A117-A121 PolarHBondContact O-N 3.46Å; V118-A121 CarbonylContact O-C 3.44Å; V118-A121 WeakPolarHBondContact O-CB 3.19Å; V118-A121 PolarHBondContact O-N 3Å; V118-A121 VanDerWaalsContact O-N 3.12Å; A121-A123 VanDerWaalsContact C-N 3.32Å; A121-A123 PolarHBondContact O-N 2.87Å; A121-V124 PolarHBondContact O-N 3.03Å; A121-E125 WeakPolarHBondContact O-CB 3.38Å; A121-E125 PolarHBondContact O-N 2.81Å
122G98.7Very high98.6Very high0 Ų024 Ų240%014%0.138CC..Hα-helixtrans-61.3-37.8176.200000113V118 C119 K126V118-G122 PolarHBondContact O-N 2.96Å; C119-G122 PolarHBondContact O-N 3.06Å; G122-K126 PolarHBondContact O-N 2.98Å; G122-K126 VanDerWaalsContact O-N 3.11Å
123A98.7Very high98.6Very high3 Ų324 Ų243%0.02514%0.138CC..Hα-helixtrans-63.2-48.917500000112.3C119 K120 A121 E125 K126 G127 V128 L130 H133C119-A123 PolarHBondContact O-N 2.81Å; C119-A123 VanDerWaalsContact O-N 3.12Å; K120-A123 PolarHBondContact O-N 2.63Å; A121-A123 VanDerWaalsContact C-N 3.32Å; A121-A123 PolarHBondContact O-N 2.87Å; A123-E125 PolarHBondContact O-N 3.49Å; A123-K126 CarbonylContact O-C 3.54Å; A123-K126 PolarHBondContact O-N 3.12Å; A123-K126 VanDerWaalsContact O-N 3.17Å; A123-G127 PolarHBondContact O-N 2.62Å; A123-V128 CarbonylContact C-O 3.57Å; A123-V128 PolarHBondContact O-N 3.27Å; A123-V128 VanDerWaalsContact O-N 3.1Å; A123-V128 VanDerWaalsContact O-O 3.14Å; A123-L130 HydrophobicContact CB-CB 4.33Å; A123-L130 HydrophobicContact CB-CD1 4.13Å; A123-H133 HydrophobicContact CB-CB 3.56Å
124V98.4Very high98.6Very high69 Ų6924 Ų2442%0.41814%0.138SC..Hα-helixtrans-68.8-33.6179.31730000112.3K28 F31 K120 A121 K126 G127K28-V124 HydrophobicContact CB-CG1 3.92Å; K28-V124 HydrophobicContact CG-CG1 4.32Å; F31-V124 HydrophobicContact CD1-CG2 4.39Å; F31-V124 HydrophobicContact CE1-CB 3.53Å; F31-V124 HydrophobicContact CE1-CG1 3.91Å; F31-V124 HydrophobicContact CE1-CG2 3.57Å; F31-V124 HydrophobicContact CZ-CB 3.92Å; F31-V124 HydrophobicContact CZ-CG1 3.93Å; F31-V124 HydrophobicContact CZ-CG2 4.41Å; K120-V124 PolarHBondContact O-N 3Å; A121-V124 PolarHBondContact O-N 3.03Å; V124-K126 VanDerWaalsContact C-N 3.3Å; V124-K126 PolarHBondContact O-N 3.41Å; V124-G127 PolarHBondContact O-N 2.97Å; V124-G127 VanDerWaalsContact O-N 3.1Å
125E97.8Very high98.6Very high58 Ų5824 Ų2427%0.27114%0.138SC..Hα-helixtrans-61.5-38.8171.4170.961.216100112.3M1 V84 T85 A121 A123 G127M1-E125 HydrophobicContact CE-CB 3.77Å; M1-E125 HydrophobicContact CE-CG 4.17Å; M1-E125 WeakPolarHBondContact CE-OE2 3.44Å; M1-E125 WeakPolarHBondContact CG-OE1 3.31Å; M1-E125 WeakPolarHBondContact CG-OE2 3.36Å; M1-E125 VanDerWaalsContact N-CD 3.26Å; M1-E125 PolarHBondContact N-OE1 3.22Å; V84-E125 HydrophobicContact CG2-CB 3.91Å; V84-E125 HydrophobicContact CG2-CG 4.3Å; T85-E125 HydrophobicContact CG2-CB 4.05Å; T85-E125 HydrophobicContact CG2-CG 3.58Å; A121-E125 WeakPolarHBondContact O-CB 3.38Å; A121-E125 PolarHBondContact O-N 2.81Å; A123-E125 PolarHBondContact O-N 3.49Å; E125-G127 VanDerWaalsContact C-N 3.27Å; E125-G127 PolarHBondContact O-N 3.42Å
126K97.6Very high98.6Very high85 Ų8527.2 Ų27.237%0.3716%0.155SC..Hα-helixtrans-76.7-11174-75.7-169.6-179.2-179.30113.8T85 G122 A123 V124 V128 D136T85-K126 HydrophobicContact CG2-CG 3.95Å; G122-K126 PolarHBondContact O-N 2.98Å; G122-K126 VanDerWaalsContact O-N 3.11Å; A123-K126 CarbonylContact O-C 3.54Å; A123-K126 PolarHBondContact O-N 3.12Å; A123-K126 VanDerWaalsContact O-N 3.17Å; V124-K126 VanDerWaalsContact C-N 3.3Å; V124-K126 PolarHBondContact O-N 3.41Å; K126-V128 VanDerWaalsContact C-N 3.32Å; K126-V128 HydrophobicContact CB-CG2 3.86Å; K126-V128 HydrophobicContact CD-CG2 4.5Å; K126-D136 IonicContact NZ-OD2 3.19Å; K126-D136 PolarHBondContact NZ-OD2 3.41Å
127G97.8Very high98.5Very high68 Ų6829.1 Ų29.170%0.70117%0.165SC*.THydrogen-bonded Turntrans6730.7-174.600000113.5A123 V124 E125A123-G127 PolarHBondContact O-N 2.62Å; V124-G127 PolarHBondContact O-N 2.97Å; V124-G127 VanDerWaalsContact O-N 3.1Å; E125-G127 VanDerWaalsContact C-N 3.27Å; E125-G127 PolarHBondContact O-N 3.42Å
128V98.5Very high98.5Very high44 Ų4429.6 Ų29.627%0.26717%0.169SC..SBendtrans-125157.2179.6-59.40000111.3A123 K126 R132 H133A123-V128 CarbonylContact C-O 3.57Å; A123-V128 PolarHBondContact O-N 3.27Å; A123-V128 VanDerWaalsContact O-N 3.1Å; A123-V128 VanDerWaalsContact O-O 3.14Å; K126-V128 VanDerWaalsContact C-N 3.32Å; K126-V128 HydrophobicContact CB-CG2 3.86Å; K126-V128 HydrophobicContact CD-CG2 4.5Å; V128-R132 HydrophobicContact CB-CB 4.17Å; V128-R132 HydrophobicContact CB-CG 4.05Å; V128-R132 HydrophobicContact CG1-CG 4.35Å; V128-R132 HydrophobicContact CG2-CB 4.27Å; V128-R132 HydrophobicContact CG2-CG 4.22Å; V128-H133 HydrophobicContact CG2-CB 4.01Å
129P98.6Very high98.4Very high40 Ų4032.7 Ų32.726%0.2620%0.2SC..  trans-58.7155.6169.9-2536.2000112.5Y131 R132 H133 E416P129-Y131 HydrophobicContact CB-CD1 3.77Å; P129-Y131 HydrophobicContact CB-CE1 3.28Å; P129-Y131 HydrophobicContact CB-CE2 4.27Å; P129-Y131 HydrophobicContact CB-CG 4.46Å; P129-Y131 HydrophobicContact CG-CE1 4Å; P129-Y131 PolarHBondContact O-N 3.35Å; P129-R132 PolarHBondContact O-N 2.96Å; P129-R132 VanDerWaalsContact O-N 3.09Å; P129-H133 PolarHBondContact O-N 2.79Å; P129-H133 VanDerWaalsContact O-N 3.08Å; P129-E416 WeakPolarHBondContact CG-OE1 3.43Å
130L98.9Very high98.3Very high24 Ų2434.2 Ų34.213%0.12621%0.209CC..Hα-helixtrans-61.3-44.9-175.4175.663000112.5K120 A123 R132 H133 I134 F380 D383K120-L130 HydrophobicContact CG-CD1 4.39Å; K120-L130 HydrophobicContact CG-CD2 4.01Å; A123-L130 HydrophobicContact CB-CB 4.33Å; A123-L130 HydrophobicContact CB-CD1 4.13Å; L130-R132 PolarHBondContact O-N 2.81Å; L130-H133 WeakPolarHBondContact O-CB 3.16Å; L130-H133 PolarHBondContact O-N 3.02Å; L130-H133 VanDerWaalsContact O-N 3.11Å; L130-I134 HydrophobicContact CD1-CD1 4.02Å; L130-I134 HydrophobicContact CD1-CG1 4.1Å; L130-I134 HydrophobicContact CG-CD1 3.88Å; L130-I134 HydrophobicContact CG-CG1 4.39Å; L130-I134 WeakPolarHBondContact O-CG1 3.37Å; L130-I134 PolarHBondContact O-N 2.96Å; L130-F380 HydrophobicContact CD1-CE2 4.35Å; L130-F380 HydrophobicContact CD2-CD2 3.88Å; L130-F380 HydrophobicContact CD2-CE2 4.21Å; L130-D383 HydrophobicContact CB-CB 4.07Å; L130-D383 WeakPolarHBondContact CB-OD1 3.32Å; L130-D383 HydrophobicContact CD2-CB 3.75Å; L130-D383 HydrophobicContact CG-CB 3.75Å
131Y98.8Very high98.2Very high14 Ų1437.4 Ų37.46%0.05524%0.236CC..Hα-helixtrans-56.5-35.4175.462.5-97.6000112.8P129 A135 V143 D383 V386 G387 I413 E416 L417P129-Y131 HydrophobicContact CB-CD1 3.77Å; P129-Y131 HydrophobicContact CB-CE1 3.28Å; P129-Y131 HydrophobicContact CB-CE2 4.27Å; P129-Y131 HydrophobicContact CB-CG 4.46Å; P129-Y131 HydrophobicContact CG-CE1 4Å; P129-Y131 PolarHBondContact O-N 3.35Å; Y131-A135 WeakPolarHBondContact O-CB 3.49Å; Y131-A135 PolarHBondContact O-N 2.92Å; Y131-V143 HydrophobicContact CD2-CG1 4.23Å; Y131-D383 WeakPolarHBondContact CA-O 3.4Å; Y131-D383 WeakPolarHBondContact CB-O 3.39Å; Y131-D383 WeakPolarHBondContact CD1-OD1 3.13Å; Y131-D383 PolarHBondContact N-OD1 2.83Å; Y131-V386 HydrophobicContact CD2-CG1 4.13Å; Y131-V386 HydrophobicContact CG-CG1 4.11Å; Y131-G387 VanDerWaalsContact O-CA 3.27Å; Y131-G387 WeakPolarHBondContact O-CA 3.23Å; Y131-I413 HydrophobicContact CD1-CB 4.4Å; Y131-I413 HydrophobicContact CD1-CD1 3.93Å; Y131-I413 HydrophobicContact CD1-CG1 3.74Å; Y131-I413 HydrophobicContact CD1-CG2 3.82Å; Y131-I413 HydrophobicContact CE1-CB 4.37Å; Y131-I413 HydrophobicContact CE1-CG1 3.96Å; Y131-I413 HydrophobicContact CE1-CG2 3.82Å; Y131-I413 HydrophobicContact CG-CG2 4.24Å; Y131-E416 WeakPolarHBondContact CE1-OE2 3.49Å; Y131-E416 PolarHBondContact OH-OE2 2.85Å; Y131-L417 HydrophobicContact CE2-CD2 4.02Å
132R98.7Very high97.9Very high57 Ų5741.8 Ų41.822%0.21526%0.256CS..Hα-helixtrans-71.4-43.2178178.173.2-64.3170.78.9110.5V128 P129 L130 I134 A135 D136 N140 S141 E142 V143V128-R132 HydrophobicContact CB-CB 4.17Å; V128-R132 HydrophobicContact CB-CG 4.05Å; V128-R132 HydrophobicContact CG1-CG 4.35Å; V128-R132 HydrophobicContact CG2-CB 4.27Å; V128-R132 HydrophobicContact CG2-CG 4.22Å; P129-R132 PolarHBondContact O-N 2.96Å; P129-R132 VanDerWaalsContact O-N 3.09Å; L130-R132 PolarHBondContact O-N 2.81Å; R132-I134 VanDerWaalsContact C-N 3.35Å; R132-I134 PolarHBondContact O-N 3.32Å; R132-A135 WeakPolarHBondContact O-CB 3.49Å; R132-A135 PolarHBondContact O-N 2.94Å; R132-D136 IonicContact NE-OD1 3.17Å; R132-D136 PolarHBondContact O-N 2.89Å; R132-N140 PolarHBondContact NH2-O 3.37Å; R132-S141 PolarHBondContact NH1-O 2.84Å; R132-E142 PolarHBondContact NH2-O 3.17Å; R132-V143 VanDerWaalsContact NH2-CG1 3.35Å
133H98.7Very high97.9Very high0 Ų042.4 Ų42.40%026%0.26CS..Hα-helixtrans-59.1-45.4175.3-179.359.8000112.2C119 A123 V128 P129 L130 A135 D136 L137C119-H133 PolarHBondContact O-CD2 3.41Å; A123-H133 HydrophobicContact CB-CB 3.56Å; V128-H133 HydrophobicContact CG2-CB 4.01Å; P129-H133 PolarHBondContact O-N 2.79Å; P129-H133 VanDerWaalsContact O-N 3.08Å; L130-H133 WeakPolarHBondContact O-CB 3.16Å; L130-H133 PolarHBondContact O-N 3.02Å; L130-H133 VanDerWaalsContact O-N 3.11Å; H133-A135 VanDerWaalsContact C-N 3.3Å; H133-A135 PolarHBondContact O-N 3.26Å; H133-D136 WeakPolarHBondContact O-CB 3.34Å; H133-D136 PolarHBondContact O-N 2.91Å; H133-L137 WeakPolarHBondContact O-CG 3.31Å; H133-L137 PolarHBondContact O-N 3.36Å; H133-L137 VanDerWaalsContact O-N 3.08Å
134I98.9Very high97.9Very high0 Ų042.5 Ų42.50%026%0.26CS..Hα-helixtrans-59.7-44.2175.7-70.9173000110.5L130 R132 D136 L137 A138 L354 F380 D383 L384 L388L130-I134 HydrophobicContact CD1-CD1 4.02Å; L130-I134 HydrophobicContact CD1-CG1 4.1Å; L130-I134 HydrophobicContact CG-CD1 3.88Å; L130-I134 HydrophobicContact CG-CG1 4.39Å; L130-I134 WeakPolarHBondContact O-CG1 3.37Å; L130-I134 PolarHBondContact O-N 2.96Å; R132-I134 VanDerWaalsContact C-N 3.35Å; R132-I134 PolarHBondContact O-N 3.32Å; I134-D136 VanDerWaalsContact C-N 3.34Å; I134-D136 PolarHBondContact O-N 3.45Å; I134-L137 WeakPolarHBondContact O-CB 3.42Å; I134-L137 PolarHBondContact O-N 2.96Å; I134-A138 WeakPolarHBondContact O-CB 3.44Å; I134-A138 PolarHBondContact O-N 3.26Å; I134-L354 HydrophobicContact CG2-CD2 4.21Å; I134-F380 HydrophobicContact CD1-CE1 4.34Å; I134-F380 HydrophobicContact CD1-CE2 4.2Å; I134-F380 HydrophobicContact CD1-CZ 3.9Å; I134-D383 HydrophobicContact CD1-CB 4.2Å; I134-L384 HydrophobicContact CD1-CB 4.26Å; I134-L384 HydrophobicContact CD1-CD1 4.25Å; I134-L384 HydrophobicContact CG2-CD1 3.85Å; I134-L388 HydrophobicContact CG2-CG 4.48Å
135A98.6Very high97.9Very high0 Ų039.2 Ų39.20%024%0.24CC..Hα-helixtrans-64.5-37.9178.300000113.1Y131 R132 H133 L137 A138 G139 N140 V143 G387Y131-A135 WeakPolarHBondContact O-CB 3.49Å; Y131-A135 PolarHBondContact O-N 2.92Å; R132-A135 WeakPolarHBondContact O-CB 3.49Å; R132-A135 PolarHBondContact O-N 2.94Å; H133-A135 VanDerWaalsContact C-N 3.3Å; H133-A135 PolarHBondContact O-N 3.26Å; A135-L137 VanDerWaalsContact C-N 3.33Å; A135-L137 PolarHBondContact O-N 3.45Å; A135-A138 CarbonylContact O-C 3.57Å; A135-A138 PolarHBondContact O-N 2.87Å; A135-G139 PolarHBondContact O-N 3.42Å; A135-N140 HydrophobicContact CB-CB 4.08Å; A135-N140 PolarHBondContact O-N 3.01Å; A135-V143 HydrophobicContact CB-CG1 4.1Å; A135-G387 VanDerWaalsContact CA-O 3.25Å; A135-G387 WeakPolarHBondContact CA-O 3.29Å; A135-G387 VanDerWaalsContact CB-O 3.25Å; A135-G387 WeakPolarHBondContact CB-O 3.38Å
136D98.3Very high98Very high68 Ų6836.5 Ų36.536%0.36423%0.228SC..Hα-helixtrans-60.1-44.1172.5-64.5-12.2000111.1K126 R132 H133 I134 A138 G139K126-D136 IonicContact NZ-OD2 3.19Å; K126-D136 PolarHBondContact NZ-OD2 3.41Å; R132-D136 IonicContact NE-OD1 3.17Å; R132-D136 PolarHBondContact O-N 2.89Å; H133-D136 WeakPolarHBondContact O-CB 3.34Å; H133-D136 PolarHBondContact O-N 2.91Å; I134-D136 VanDerWaalsContact C-N 3.34Å; I134-D136 PolarHBondContact O-N 3.45Å; D136-A138 VanDerWaalsContact C-N 3.27Å; D136-A138 PolarHBondContact O-N 3.48Å; D136-G139 PolarHBondContact O-N 2.84Å; D136-G139 VanDerWaalsContact O-N 3.15Å
137L98.5Very high98Very high43 Ų4332.4 Ų32.423%0.22521%0.21CC..Hα-helixtrans-63.5-35.7176-65.4172.6000111.4Q87 H133 I134 A135 G139 L354 K358Q87-L137 HydrophobicContact CB-CD1 3.99Å; Q87-L137 HydrophobicContact CB-CD2 3.99Å; Q87-L137 HydrophobicContact CG-CD1 4.11Å; H133-L137 WeakPolarHBondContact O-CG 3.31Å; H133-L137 PolarHBondContact O-N 3.36Å; H133-L137 VanDerWaalsContact O-N 3.08Å; I134-L137 WeakPolarHBondContact O-CB 3.42Å; I134-L137 PolarHBondContact O-N 2.96Å; A135-L137 VanDerWaalsContact C-N 3.33Å; A135-L137 PolarHBondContact O-N 3.45Å; L137-G139 VanDerWaalsContact C-N 3.31Å; L137-L354 HydrophobicContact CB-CD1 3.55Å; L137-L354 HydrophobicContact CD1-CD1 4.33Å; L137-K358 PolarHBondContact O-NZ 2.78Å
138A98Very high98.1Very high10 Ų1029.2 Ų29.28%0.08318%0.177CC..Hα-helixtrans-76.6-14.7175.900000113.4I134 A135 D136 K358 L388I134-A138 WeakPolarHBondContact O-CB 3.44Å; I134-A138 PolarHBondContact O-N 3.26Å; A135-A138 CarbonylContact O-C 3.57Å; A135-A138 PolarHBondContact O-N 2.87Å; D136-A138 VanDerWaalsContact C-N 3.27Å; D136-A138 PolarHBondContact O-N 3.48Å; A138-K358 WeakPolarHBondContact O-CE 3.31Å; A138-K358 PolarHBondContact O-NZ 3.33Å; A138-L388 HydrophobicContact CB-CD2 3.86Å
139G97.2Very high98.1Very high64 Ų6427.1 Ų27.166%0.6616%0.164SC*.THydrogen-bonded Turntrans76.520.5-174.300000114A135 D136 L137A135-G139 PolarHBondContact O-N 3.42Å; D136-G139 PolarHBondContact O-N 2.84Å; D136-G139 VanDerWaalsContact O-N 3.15Å; L137-G139 VanDerWaalsContact C-N 3.31Å
140N96.9Very high98.1Very high32 Ų3225.2 Ų25.217%0.17115%0.152CC..  trans-90.8121179.3-72-25.3000110.5R132 A135 G387 L388R132-N140 PolarHBondContact NH2-O 3.37Å; A135-N140 HydrophobicContact CB-CB 4.08Å; A135-N140 PolarHBondContact O-N 3.01Å; N140-G387 PolarHBondContact ND2-O 3.26Å; N140-L388 VanDerWaalsContact ND2-C 3.31Å; N140-L388 PolarHBondContact ND2-O 3.43Å
141S95.3Very high98.1Very high107 Ų10724.1 Ų24.175%0.74815%0.146SC*.SBendtrans-77.9-35176.954.70000112.8R132R132-S141 PolarHBondContact NH1-O 2.84Å
142E94.4Very high98.1Very high91 Ų9123.5 Ų23.543%0.42514%0.144SC..SBendtrans-99.3175.3174.8-58.2-164.4144.200111.2R132 C389 K422R132-E142 PolarHBondContact NH2-O 3.17Å; E142-C389 PolarHBondContact O-SG 3.35Å; E142-K422 IonicContact OE1-NZ 2.82Å; E142-K422 PolarHBondContact OE1-NZ 2.87Å; E142-K422 IonicContact OE2-NZ 3.89Å; E142-K422 PolarHBondContact OE2-NZ 3.41Å
143V97.8Very high98.1Very high13 Ų1320.8 Ų20.88%0.07913%0.133CC..  trans-135.7152.2169.6-66.10000109.6Y131 R132 A135 V386 C389 L417Y131-V143 HydrophobicContact CD2-CG1 4.23Å; R132-V143 VanDerWaalsContact NH2-CG1 3.35Å; A135-V143 HydrophobicContact CB-CG1 4.1Å; V143-V386 HydrophobicContact CB-CG1 3.72Å; V143-V386 HydrophobicContact CG1-CG1 4.24Å; V143-V386 HydrophobicContact CG2-CG1 4.21Å; V143-C389 VanDerWaalsContact CA-SG 3.56Å; V143-L417 HydrophobicContact CG2-CD1 3.78Å; V143-L417 HydrophobicContact CG2-CD2 3.71Å; V143-L417 HydrophobicContact CG2-CG 4.43Å
144I98.4Very high98.1Very high6 Ų620.8 Ų20.83%0.03113%0.133CC..  trans-136.7134.6-177.4-63.9-174.5000110.3V386 K422 A424 P431 L432I144-V386 WeakPolarHBondContact O-CA 3.48Å; I144-K422 HydrophobicContact CG1-CB 4.48Å; I144-A424 HydrophobicContact CG2-CB 3.96Å; I144-P431 HydrophobicContact CD1-CB 3.75Å; I144-P431 HydrophobicContact CD1-CG 4.29Å; I144-P431 WeakPolarHBondContact CD1-O 3.48Å; I144-P431 HydrophobicContact CG2-CB 4.04Å; I144-L432 HydrophobicContact CD1-CD2 3.47Å; I144-L432 VanDerWaalsContact CD1-CD2 3.47Å; I144-L432 HydrophobicContact CD1-CG 4.07Å; I144-L432 HydrophobicContact CG1-CD2 4.36Å
145L98.8Very high97.9Very high0 Ų020.8 Ų20.80%013%0.133CC..BIsolated β-bridgetrans-77134170.7-72.1164.3000110.8F178 V386 L410 I413 E414 A421 K422 F423 A424L145-F178 HydrophobicContact CB-CB 4.29Å; L145-F178 HydrophobicContact CD1-CB 4.02Å; L145-V386 HydrophobicContact CD2-CG2 4.01Å; L145-L410 HydrophobicContact CD2-CD2 4.29Å; L145-I413 HydrophobicContact CD2-CG2 4.34Å; L145-E414 HydrophobicContact CD1-CB 3.47Å; L145-E414 VanDerWaalsContact CD1-CB 3.47Å; L145-E414 HydrophobicContact CD1-CG 3.52Å; L145-E414 HydrophobicContact CD2-CB 4.23Å; L145-E414 HydrophobicContact CG-CB 4.5Å; L145-A421 HydrophobicContact CD1-CB 4.01Å; L145-K422 PolarHBondContact N-O 3.17Å; L145-F423 HydrophobicContact CB-CD2 4.29Å; L145-A424 PolarHBondContact O-N 2.7Å
146P98.9Very high97.7Very high0 Ų020.9 Ų20.90%013%0.134CC..PPolyproline II helixtrans-81.3157.9-174.935.6-38.8000112.6P148 F178 V385 G391 I393 L410 F423P146-P148 WeakPolarHBondContact O-CD 3.38Å; P146-F178 WeakPolarHBondContact O-CD2 3.31Å; P146-V385 HydrophobicContact CB-CG1 4.4Å; P146-V385 HydrophobicContact CB-CG2 3.69Å; P146-V385 HydrophobicContact CG-CG1 3.72Å; P146-V385 HydrophobicContact CG-CG2 3.97Å; P146-G391 CarbonylContact C-O 3.55Å; P146-G391 VanDerWaalsContact CA-C 3.46Å; P146-G391 WeakPolarHBondContact CA-O 3.47Å; P146-I393 HydrophobicContact CB-CB 4.23Å; P146-I393 HydrophobicContact CB-CG2 3.88Å; P146-I393 HydrophobicContact CG-CB 4.15Å; P146-I393 HydrophobicContact CG-CG2 3.5Å; P146-L410 HydrophobicContact CG-CD1 3.98Å; P146-L410 HydrophobicContact CG-CD2 4.12Å; P146-F423 WeakPolarHBondContact O-CE2 3.39Å
147V98.9Very high97.4Very high0 Ų019.8 Ų19.80%013%0.132CC..EExtended strand (participates in β ladder)trans-71.4125.2156.5178.50000108.8L171 V173 G391 Q392 I393 F423 A424 G425 F428V147-L171 HydrophobicContact CG1-CB 3.97Å; V147-L171 HydrophobicContact CG1-CD2 4.45Å; V147-L171 HydrophobicContact CG1-CG 4.47Å; V147-V173 HydrophobicContact CG1-CG1 4.02Å; V147-V173 HydrophobicContact CG2-CG1 4.39Å; V147-G391 PolarHBondContact N-O 3.27Å; V147-Q392 WeakPolarHBondContact O-CA 3.41Å; V147-I393 PolarHBondContact O-N 3.22Å; V147-I393 VanDerWaalsContact O-N 3.11Å; V147-F423 HydrophobicContact CB-CZ 4.44Å; V147-F423 HydrophobicContact CG2-CE1 4.34Å; V147-F423 HydrophobicContact CG2-CE2 4.17Å; V147-F423 HydrophobicContact CG2-CZ 3.74Å; V147-A424 HydrophobicContact CG2-CB 4.48Å; V147-G425 VanDerWaalsContact CG2-O 3.23Å; V147-G425 WeakPolarHBondContact CG2-O 3.48Å; V147-F428 HydrophobicContact CB-CB 4.02Å; V147-F428 HydrophobicContact CG2-CB 3.7Å
148P98.9Very high96.8Very high0 Ų018.2 Ų18.20%012%0.123CC..EExtended strand (participates in β ladder)trans-75.7126.2171.930.4-33.5000110.8P146 F150 P172 F178 A181 Y407P146-P148 WeakPolarHBondContact O-CD 3.38Å; P148-F150 HydrophobicContact CB-CD1 4.42Å; P148-F150 HydrophobicContact CB-CD2 4.29Å; P148-F150 HydrophobicContact CB-CE1 3.83Å; P148-F150 HydrophobicContact CB-CE2 3.71Å; P148-F150 HydrophobicContact CB-CZ 3.45Å; P148-F150 VanDerWaalsContact CB-CZ 3.45Å; P148-F150 HydrophobicContact CG-CD2 4.3Å; P148-F150 HydrophobicContact CG-CE1 4.23Å; P148-F150 HydrophobicContact CG-CE2 3.39Å; P148-F150 HydrophobicContact CG-CZ 3.34Å; P148-P172 HydrophobicContact CG-CG 4.05Å; P148-P172 VanDerWaalsContact O-CD 3.25Å; P148-P172 WeakPolarHBondContact O-CD 3.37Å; P148-F178 HydrophobicContact CB-CE2 4.17Å; P148-F178 HydrophobicContact CG-CE2 4.01Å; P148-A181 HydrophobicContact CG-CB 4.03Å; P148-Y407 HydrophobicContact CB-CD1 4.26Å; P148-Y407 HydrophobicContact CB-CE1 3.59Å
149A98.9Very high96.4Very high1 Ų118.3 Ų18.31%0.00812%0.124CC..EExtended strand (participates in β ladder)trans-92.2103.6165.200000108.6M169 L171 M368 I393 K394 Y407A149-M169 HydrophobicContact CB-CB 4.35Å; A149-M169 HydrophobicContact CB-SD 3.75Å; A149-L171 HydrophobicContact CB-CD1 4Å; A149-L171 HydrophobicContact CB-CD2 4.16Å; A149-L171 HydrophobicContact CB-CG 3.8Å; A149-M368 HydrophobicContact CB-SD 4.5Å; A149-I393 PolarHBondContact N-O 2.88Å; A149-K394 HydrophobicContact CB-CB 4.09Å; A149-Y407 PolarHBondContact O-OH 3.38Å
150F98.9Very high96.1Very high0 Ų019.6 Ų19.60%014%0.138CC..EExtended strand (participates in β ladder)trans-89.7115.3-177-60-75.1000110.6P148 V152 M169 I170 P172 M182 G396 P398 Y407P148-F150 HydrophobicContact CB-CD1 4.42Å; P148-F150 HydrophobicContact CB-CD2 4.29Å; P148-F150 HydrophobicContact CB-CE1 3.83Å; P148-F150 HydrophobicContact CB-CE2 3.71Å; P148-F150 HydrophobicContact CB-CZ 3.45Å; P148-F150 VanDerWaalsContact CB-CZ 3.45Å; P148-F150 HydrophobicContact CG-CD2 4.3Å; P148-F150 HydrophobicContact CG-CE1 4.23Å; P148-F150 HydrophobicContact CG-CE2 3.39Å; P148-F150 HydrophobicContact CG-CZ 3.34Å; F150-V152 HydrophobicContact CB-CG1 3.94Å; F150-V152 PolarHBondContact O-N 2.96Å; F150-V152 VanDerWaalsContact O-N 3.13Å; F150-M169 CarbonylContact O-C 3.54Å; F150-M169 WeakPolarHBondContact O-CA 3.47Å; F150-I170 HydrophobicContact CB-CG1 3.86Å; F150-I170 HydrophobicContact CD2-CG1 4.11Å; F150-I170 HydrophobicContact CG-CG1 4.48Å; F150-I170 PolarHBondContact N-O 2.89Å; F150-I170 PolarHBondContact O-N 3.4Å; F150-P172 HydrophobicContact CE2-CG 4.1Å; F150-M182 HydrophobicContact CE1-CE 4.11Å; F150-M182 HydrophobicContact CE1-SD 3.62Å; F150-M182 HydrophobicContact CZ-CE 4.29Å; F150-M182 HydrophobicContact CZ-SD 3.47Å; F150-M182 WeakPolarHBondContact CZ-SD 3.44Å; F150-G396 WeakPolarHBondContact CA-O 3.44Å; F150-P398 HydrophobicContact CD1-CB 4.39Å; F150-P398 HydrophobicContact CD1-CG 4.45Å; F150-P398 HydrophobicContact CE1-CB 4.44Å; F150-Y407 HydrophobicContact CD1-CE1 4.06Å; F150-Y407 AromaticContact CD1-CE2 3.73Å; F150-Y407 HydrophobicContact CD1-CE2 3.73Å; F150-Y407 AromaticContact CD1-CZ 3.45Å; F150-Y407 VanDerWaalsContact CD1-CZ 3.45Å; F150-Y407 WeakPolarHBondContact CD1-OH 3.35Å; F150-Y407 HydrophobicContact CE1-CD1 4.01Å; F150-Y407 HydrophobicContact CE1-CD2 4.1Å; F150-Y407 AromaticContact CE1-CE1 3.6Å; F150-Y407 HydrophobicContact CE1-CE1 3.6Å; F150-Y407 AromaticContact CE1-CE2 3.71Å; F150-Y407 HydrophobicContact CE1-CE2 3.71Å; F150-Y407 HydrophobicContact CE1-CG 4.25Å; F150-Y407 AromaticContact CE1-CZ 3.44Å; F150-Y407 VanDerWaalsContact CE1-CZ 3.44Å; F150-Y407 HydrophobicContact CZ-CE1 4.4Å
151N98.6Very high96Very high1 Ų118.5 Ų18.51%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-74.299.3175.3-173.65.1000110.7I153 N154 E167 F168 M169 E210 G212 G396 A397N151-I153 PolarHBondContact OD1-O 2.9Å; N151-I153 VanDerWaalsContact OD1-O 3.07Å; N151-N154 PolarHBondContact ND2-ND2 2.81Å; N151-E167 WeakPolarHBondContact ND2-CB 3.46Å; N151-E167 VanDerWaalsContact ND2-CG 3.26Å; N151-E167 WeakPolarHBondContact ND2-CG 3Å; N151-E167 WeakPolarHBondContact OD1-CA 3.32Å; N151-E167 WeakPolarHBondContact OD1-CB 3.46Å; N151-F168 PolarHBondContact OD1-N 2.85Å; N151-M169 HydrophobicContact CB-CG 4.09Å; N151-E210 PolarHBondContact ND2-OE2 3.11Å; N151-G212 WeakPolarHBondContact O-CA 3.39Å; N151-G396 PolarHBondContact N-O 3.14Å; N151-A397 WeakPolarHBondContact O-CA 3.49Å; N151-A397 VanDerWaalsContact O-CB 3.25Å; N151-A397 WeakPolarHBondContact O-CB 3.45Å; N151-A397 PolarHBondContact O-N 3.36Å
152V98.7Very high96Very high0 Ų017.6 Ų17.60%012%0.115CC..EExtended strand (participates in β ladder)trans-107.5-14.4-167.6-69.10000114.1F150 F168 I170 Y189 L192 G212 F213 L227F150-V152 HydrophobicContact CB-CG1 3.94Å; F150-V152 PolarHBondContact O-N 2.96Å; F150-V152 VanDerWaalsContact O-N 3.13Å; V152-F168 VanDerWaalsContact CG2-O 3.31Å; V152-F168 WeakPolarHBondContact CG2-O 3.24Å; V152-F168 PolarHBondContact N-O 2.8Å; V152-I170 HydrophobicContact CG1-CD1 3.96Å; V152-I170 HydrophobicContact CG1-CG1 3.92Å; V152-I170 HydrophobicContact CG2-CG1 4.2Å; V152-I170 HydrophobicContact CG2-CG2 3.92Å; V152-Y189 HydrophobicContact CB-CD2 4.08Å; V152-Y189 HydrophobicContact CG1-CD2 3.78Å; V152-Y189 HydrophobicContact CG1-CG 4.49Å; V152-L192 HydrophobicContact CB-CD2 3.77Å; V152-L192 HydrophobicContact CG2-CD2 3.88Å; V152-L192 WeakPolarHBondContact O-CD2 3.29Å; V152-G212 CarbonylContact O-C 3.46Å; V152-G212 WeakPolarHBondContact O-CA 3.5Å; V152-F213 PolarHBondContact O-N 3.46Å; V152-L227 HydrophobicContact CG2-CD1 4.41Å; V152-L227 HydrophobicContact CG2-CD2 3.45Å; V152-L227 VanDerWaalsContact CG2-CD2 3.45Å
153I98.7Very high96.1Very high0 Ų013.3 Ų13.30%09%0.094CC..EExtended strand (participates in β ladder)trans-129.3124.3165-55175000107.8N151 L163 F168 L192 F213 P215 L226 L227N151-I153 PolarHBondContact OD1-O 2.9Å; N151-I153 VanDerWaalsContact OD1-O 3.07Å; I153-L163 HydrophobicContact CG2-CD2 3.96Å; I153-F168 HydrophobicContact CB-CB 4.06Å; I153-F168 HydrophobicContact CB-CD2 4.3Å; I153-F168 HydrophobicContact CB-CG 4.42Å; I153-F168 HydrophobicContact CG2-CD2 4.38Å; I153-F168 PolarHBondContact N-O 3.1Å; I153-F168 PolarHBondContact O-N 3.37Å; I153-L192 HydrophobicContact CD1-CD1 4.26Å; I153-L192 HydrophobicContact CD1-CD2 4.34Å; I153-L192 HydrophobicContact CG1-CD2 3.8Å; I153-F213 CarbonylContact C-O 3.52Å; I153-F213 WeakPolarHBondContact CA-O 3.48Å; I153-P215 HydrophobicContact CG2-CG 4.05Å; I153-L226 HydrophobicContact CD1-CB 4.05Å; I153-L226 HydrophobicContact CD1-CD1 4.24Å; I153-L227 HydrophobicContact CD1-CD2 3.73Å; I153-L227 HydrophobicContact CD1-CG 4.06Å; I153-L227 HydrophobicContact CG1-CD2 4Å
154N97.6Very high96.1Very high0 Ų012.7 Ų12.70%09%0.091CC..EExtended strand (participates in β ladder)trans-97.7134175.5-73116.3000110.8N151 H158 A159 N161 G212 F213N151-N154 PolarHBondContact ND2-ND2 2.81Å; N154-H158 HydrophobicContact CB-CB 4.4Å; N154-A159 HydrophobicContact CB-CB 3.91Å; N154-A159 WeakPolarHBondContact O-CB 3.46Å; N154-N161 PolarHBondContact O-ND2 3.36Å; N154-G212 WeakPolarHBondContact OD1-CA 3.37Å; N154-G212 PolarHBondContact OD1-N 3.33Å; N154-G212 PolarHBondContact OD1-O 3.14Å; N154-G212 VanDerWaalsContact OD1-O 3.13Å; N154-F213 PolarHBondContact N-O 2.89Å
155G95.8Very high96Very high0 Ų012.4 Ų12.40%09%0.09CC..  trans-130.4-147.6167.500000110.5S157 H158 A159 M165 Q166G155-S157 PolarHBondContact O-N 3.16Å; G155-H158 PolarHBondContact O-N 3.15Å; G155-H158 VanDerWaalsContact O-N 3.09Å; G155-A159 PolarHBondContact O-N 2.98Å; G155-M165 CarbonylContact C-O 3.55Å; G155-M165 WeakPolarHBondContact CA-O 3.31Å; G155-Q166 PolarHBondContact N-O 3.17Å
156G95Very high96Very high2 Ų212.7 Ų12.72%0.0219%0.091CC..G310 helixtrans49.7-137.4176.900000112.8H158 L163 A164 M165 K262G156-H158 VanDerWaalsContact C-N 3.27Å; G156-H158 PolarHBondContact O-N 3Å; G156-L163 PolarHBondContact N-O 2.72Å; G156-A164 WeakPolarHBondContact CA-O 3.49Å; G156-A164 PolarHBondContact N-O 2.83Å; G156-M165 PolarHBondContact N-O 3.05Å; G156-K262 WeakPolarHBondContact O-CD 3.21Å; G156-K262 WeakPolarHBondContact O-CE 3.32Å; G156-K262 PolarHBondContact O-NZ 2.79Å
157S91.7Very high96Very high45 Ų4512.9 Ų12.932%0.3159%0.092SC..G310 helixtrans-78.9-5.1179.1-62.10000113.7S40 G155 E250S40-S157 WeakPolarHBondContact OG-CB 3.44Å; G155-S157 PolarHBondContact O-N 3.16Å; S157-E250 PolarHBondContact OG-OE2 3.22Å
158H86.1Confident95.9Very high10 Ų1012.9 Ų12.95%0.0469%0.092CC..G310 helixtrans-92.1-5.7-179.2-66.9174.6000113.9N154 G155 G156 Q166 E167 G208 D209 E210 S373N154-H158 HydrophobicContact CB-CB 4.4Å; G155-H158 PolarHBondContact O-N 3.15Å; G155-H158 VanDerWaalsContact O-N 3.09Å; G156-H158 VanDerWaalsContact C-N 3.27Å; G156-H158 PolarHBondContact O-N 3Å; H158-Q166 HydrophobicContact CB-CG 4.4Å; H158-Q166 VanDerWaalsContact CE1-CD 3.44Å; H158-Q166 PolarHBondContact CE1-NE2 2.69Å; H158-Q166 WeakPolarHBondContact ND1-CG 3.39Å; H158-E167 IonicContact CE1-OE1 3.7Å; H158-E167 IonicContact ND1-OE1 2.72Å; H158-G208 WeakPolarHBondContact O-CA 3.19Å; H158-D209 PolarHBondContact O-N 2.8Å; H158-E210 IonicContact CE1-OE1 2.83Å; H158-E210 PolarHBondContact CE1-OE1 3.05Å; H158-E210 VanDerWaalsContact CE1-OE1 3.22Å; H158-E210 IonicContact ND1-OE1 3.96Å; H158-E210 IonicContact ND1-OE2 3.42Å; H158-S373 VanDerWaalsContact NE2-CB 3.32Å; H158-S373 WeakPolarHBondContact NE2-CB 3.13Å; H158-S373 PolarHBondContact NE2-OG 2.71Å
159A89.7Confident95.9Very high12 Ų1213 Ų1310%0.0999%0.092CC..SBendtrans-148.4142.4-175.900000113.7N154 G155 N161 A214 K262N154-A159 HydrophobicContact CB-CB 3.91Å; N154-A159 WeakPolarHBondContact O-CB 3.46Å; G155-A159 PolarHBondContact O-N 2.98Å; A159-N161 PolarHBondContact O-N 3.37Å; A159-A214 HydrophobicContact CB-CB 3.75Å; A159-K262 PolarHBondContact O-NZ 3.38Å
160G91.2Very high95.9Very high92 Ų9213 Ų1395%0.9489%0.092SC*.SBendtrans-77.948.9174.100000114.2
161N93.8Very high95.9Very high9 Ų913 Ų135%0.0489%0.092CC..SBendtrans-122.7-176.6175.459.115.6000110.9N154 A159 P215 K262N154-N161 PolarHBondContact O-ND2 3.36Å; A159-N161 PolarHBondContact O-N 3.37Å; N161-P215 VanDerWaalsContact CB-O 3.24Å; N161-P215 WeakPolarHBondContact CB-O 3.46Å; N161-P215 PolarHBondContact ND2-O 2.97Å; N161-K262 VanDerWaalsContact O-CD 3.27Å; N161-K262 WeakPolarHBondContact O-CD 3.26Å; N161-K262 WeakPolarHBondContact O-CE 3.45Å; N161-K262 PolarHBondContact O-NZ 3.29Å; N161-K262 PolarHBondContact OD1-NZ 3.48Å
162K95.1Very high96Very high88 Ų8813 Ų1338%0.3839%0.092SC..SBendtrans-87-21.6177.1-71.6-163.2169.8-1500115A164 I217 L218 S263K162-A164 PolarHBondContact O-N 2.72Å; K162-A164 VanDerWaalsContact O-N 3.16Å; K162-I217 CarbonylContact C-O 3.38Å; K162-L218 HydrophobicContact CB-CB 4.13Å; K162-L218 HydrophobicContact CB-CD1 3.9Å; K162-L218 HydrophobicContact CD-CD1 4.45Å; K162-S263 WeakPolarHBondContact CE-OG 2.83Å; K162-S263 PolarHBondContact NZ-OG 3.29Å
163L96.2Very high96Very high0 Ų013.2 Ų13.20%09%0.094CC..  trans-50116.8-177.9-172.262.4000111.4I153 G156 F168 I217 N220 K262I153-L163 HydrophobicContact CG2-CD2 3.96Å; G156-L163 PolarHBondContact N-O 2.72Å; L163-F168 HydrophobicContact CD1-CE2 4Å; L163-F168 HydrophobicContact CD1-CZ 3.92Å; L163-F168 HydrophobicContact CD2-CD2 4.04Å; L163-F168 HydrophobicContact CD2-CE2 3.45Å; L163-F168 VanDerWaalsContact CD2-CE2 3.45Å; L163-F168 HydrophobicContact CD2-CZ 4.16Å; L163-F168 HydrophobicContact CG-CE2 3.85Å; L163-F168 HydrophobicContact CG-CZ 4.29Å; L163-I217 WeakPolarHBondContact CA-O 3.12Å; L163-I217 HydrophobicContact CB-CG1 4.31Å; L163-I217 WeakPolarHBondContact CB-O 3.42Å; L163-I217 HydrophobicContact CD1-CD1 4.18Å; L163-I217 HydrophobicContact CD1-CG1 4.13Å; L163-I217 HydrophobicContact CD2-CD1 4.09Å; L163-I217 HydrophobicContact CD2-CG1 4.15Å; L163-I217 HydrophobicContact CG-CG1 4.46Å; L163-I217 PolarHBondContact N-O 3.41Å; L163-N220 HydrophobicContact CD1-CB 4.38Å; L163-N220 VanDerWaalsContact CD1-OD1 3.3Å; L163-N220 WeakPolarHBondContact CD1-OD1 3.48Å; L163-K262 VanDerWaalsContact O-CE 3.24Å; L163-K262 WeakPolarHBondContact O-CE 3.24Å; L163-K262 PolarHBondContact O-NZ 3.43Å
164A97.1Very high96Very high1 Ų114.3 Ų14.31%0.00810%0.104CC..  trans-75.9-42.1-174.500000113.3G156 K162 F251 L259 F261G156-A164 WeakPolarHBondContact CA-O 3.49Å; G156-A164 PolarHBondContact N-O 2.83Å; K162-A164 PolarHBondContact O-N 2.72Å; K162-A164 VanDerWaalsContact O-N 3.16Å; A164-F251 HydrophobicContact CB-CD1 4.37Å; A164-F251 HydrophobicContact CB-CE1 4.49Å; A164-L259 HydrophobicContact CB-CB 4.38Å; A164-L259 HydrophobicContact CB-CD2 4.32Å; A164-L259 VanDerWaalsContact CB-O 3.22Å; A164-L259 WeakPolarHBondContact CB-O 3.37Å; A164-F261 HydrophobicContact CB-CD1 4.06Å; A164-F261 HydrophobicContact CB-CE1 4.19Å
165M98Very high96Very high0 Ų014.7 Ų14.70%011%0.108CC..SBendtrans-69.7140178.8-63.7176.5-170.800110.6G155 G156 F168 N220 M244 V246 L259 L279 Y280 F283G155-M165 CarbonylContact C-O 3.55Å; G155-M165 WeakPolarHBondContact CA-O 3.31Å; G156-M165 PolarHBondContact N-O 3.05Å; M165-F168 HydrophobicContact CB-CE2 3.94Å; M165-F168 HydrophobicContact CB-CZ 3.89Å; M165-N220 VanDerWaalsContact CB-OD1 3.32Å; M165-N220 WeakPolarHBondContact CB-OD1 3.47Å; M165-N220 HydrophobicContact CE-CB 3.98Å; M165-N220 HydrophobicContact CG-CB 4.32Å; M165-N220 WeakPolarHBondContact CG-OD1 3.12Å; M165-N220 PolarHBondContact N-OD1 3.17Å; M165-N220 HydrophobicContact SD-CB 3.61Å; M165-M244 HydrophobicContact SD-CE 3.3Å; M165-M244 WeakPolarHBondContact SD-CE 3.36Å; M165-V246 HydrophobicContact CG-CB 4.48Å; M165-V246 HydrophobicContact CG-CG1 4.17Å; M165-V246 HydrophobicContact CG-CG2 4.32Å; M165-V246 HydrophobicContact SD-CG2 4.23Å; M165-L259 HydrophobicContact CE-CD2 4.41Å; M165-L279 HydrophobicContact CE-CD2 4.15Å; M165-Y280 HydrophobicContact CE-CD1 4.33Å; M165-Y280 HydrophobicContact CE-CE1 3.53Å; M165-Y280 HydrophobicContact SD-CE1 4.31Å; M165-F283 HydrophobicContact CE-CE2 3.87Å; M165-F283 HydrophobicContact SD-CE2 3.99Å
166Q97.5Very high96.1Very high5 Ų518.4 Ų18.42%0.02314%0.139CC..  trans-80.6-42.5-163.8-173164.8-95.100114.1S40 G155 H158 D245 A247S40-Q166 PolarHBondContact OG-OE1 2.65Å; G155-Q166 PolarHBondContact N-O 3.17Å; H158-Q166 HydrophobicContact CB-CG 4.4Å; H158-Q166 VanDerWaalsContact CE1-CD 3.44Å; H158-Q166 PolarHBondContact CE1-NE2 2.69Å; H158-Q166 WeakPolarHBondContact ND1-CG 3.39Å; Q166-D245 PolarHBondContact N-O 3.19Å; Q166-D245 PolarHBondContact NE2-OD2 3.47Å; Q166-A247 HydrophobicContact CB-CB 3.84Å; Q166-A247 HydrophobicContact CG-CB 4.39Å
167E98.5Very high96.3Very high4 Ų421.3 Ų21.32%0.01915%0.154CC..EExtended strand (participates in β ladder)trans-136.9131.7-171.9-43.4-179.1169.600111.2N151 H158 M169 M244 D245 K394N151-E167 WeakPolarHBondContact ND2-CB 3.46Å; N151-E167 VanDerWaalsContact ND2-CG 3.26Å; N151-E167 WeakPolarHBondContact ND2-CG 3Å; N151-E167 WeakPolarHBondContact OD1-CA 3.32Å; N151-E167 WeakPolarHBondContact OD1-CB 3.46Å; H158-E167 IonicContact CE1-OE1 3.7Å; H158-E167 IonicContact ND1-OE1 2.72Å; E167-M169 HydrophobicContact CB-CE 4.37Å; E167-M169 HydrophobicContact CB-CG 4.32Å; E167-M244 VanDerWaalsContact O-CA 3.31Å; E167-M244 WeakPolarHBondContact O-CA 3.46Å; E167-D245 HydrophobicContact CB-CB 3.8Å; E167-D245 HydrophobicContact CG-CB 3.69Å; E167-D245 PolarHBondContact N-O 2.82Å; E167-D245 PolarHBondContact O-N 3.47Å; E167-D245 WeakPolarHBondContact OE2-CB 3.38Å; E167-K394 IonicContact OE1-NZ 2.62Å; E167-K394 IonicContact OE2-NZ 2.63Å; E167-K394 PolarHBondContact OE2-NZ 2.7Å
168F98.8Very high96.7Very high0 Ų019.2 Ų19.20%014%0.139CC..EExtended strand (participates in β ladder)trans-117.2108.5167.9-60.5-109.1000107.9N151 V152 I153 L163 M165 N220 L224 L227 M244N151-F168 PolarHBondContact OD1-N 2.85Å; V152-F168 VanDerWaalsContact CG2-O 3.31Å; V152-F168 WeakPolarHBondContact CG2-O 3.24Å; V152-F168 PolarHBondContact N-O 2.8Å; I153-F168 HydrophobicContact CB-CB 4.06Å; I153-F168 HydrophobicContact CB-CD2 4.3Å; I153-F168 HydrophobicContact CB-CG 4.42Å; I153-F168 HydrophobicContact CG2-CD2 4.38Å; I153-F168 PolarHBondContact N-O 3.1Å; I153-F168 PolarHBondContact O-N 3.37Å; L163-F168 HydrophobicContact CD1-CE2 4Å; L163-F168 HydrophobicContact CD1-CZ 3.92Å; L163-F168 HydrophobicContact CD2-CD2 4.04Å; L163-F168 HydrophobicContact CD2-CE2 3.45Å; L163-F168 VanDerWaalsContact CD2-CE2 3.45Å; L163-F168 HydrophobicContact CD2-CZ 4.16Å; L163-F168 HydrophobicContact CG-CE2 3.85Å; L163-F168 HydrophobicContact CG-CZ 4.29Å; M165-F168 HydrophobicContact CB-CE2 3.94Å; M165-F168 HydrophobicContact CB-CZ 3.89Å; F168-N220 WeakPolarHBondContact CE1-O 3.31Å; F168-N220 HydrophobicContact CZ-CB 4.07Å; F168-L224 HydrophobicContact CD1-CD2 3.96Å; F168-L224 HydrophobicContact CD1-CG 4.22Å; F168-L224 HydrophobicContact CE1-CD2 4.3Å; F168-L224 HydrophobicContact CE1-CG 4.12Å; F168-L227 HydrophobicContact CB-CD1 3.8Å; F168-M244 HydrophobicContact CD1-CE 4.21Å; F168-M244 HydrophobicContact CE1-CE 3.69Å; F168-M244 HydrophobicContact CZ-CE 4.19Å
169M98.9Very high97.3Very high2 Ų225.2 Ų25.21%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-104.6146.1-170.1-65.2175.5-88.400112.2A149 F150 N151 E167 L171 I242 G243 D245 K394A149-M169 HydrophobicContact CB-CB 4.35Å; A149-M169 HydrophobicContact CB-SD 3.75Å; F150-M169 CarbonylContact O-C 3.54Å; F150-M169 WeakPolarHBondContact O-CA 3.47Å; N151-M169 HydrophobicContact CB-CG 4.09Å; E167-M169 HydrophobicContact CB-CE 4.37Å; E167-M169 HydrophobicContact CB-CG 4.32Å; M169-L171 HydrophobicContact CB-CD1 4.17Å; M169-I242 VanDerWaalsContact O-CA 3.31Å; M169-I242 WeakPolarHBondContact O-CA 3.21Å; M169-G243 WeakPolarHBondContact CA-O 3.18Å; M169-G243 PolarHBondContact N-O 3.49Å; M169-G243 PolarHBondContact O-N 3.35Å; M169-D245 HydrophobicContact CE-CB 4.19Å; M169-K394 HydrophobicContact SD-CB 4.13Å; M169-K394 HydrophobicContact SD-CD 4.15Å
170I98.9Very high97.7Very high1 Ų126.2 Ų26.21%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-107.7138166.559.7172.3000110.3F150 V152 V188 L227 I231 V240F150-I170 HydrophobicContact CB-CG1 3.86Å; F150-I170 HydrophobicContact CD2-CG1 4.11Å; F150-I170 HydrophobicContact CG-CG1 4.48Å; F150-I170 PolarHBondContact N-O 2.89Å; F150-I170 PolarHBondContact O-N 3.4Å; V152-I170 HydrophobicContact CG1-CD1 3.96Å; V152-I170 HydrophobicContact CG1-CG1 3.92Å; V152-I170 HydrophobicContact CG2-CG1 4.2Å; V152-I170 HydrophobicContact CG2-CG2 3.92Å; I170-V188 HydrophobicContact CD1-CB 3.6Å; I170-V188 HydrophobicContact CD1-CG1 3.51Å; I170-V188 HydrophobicContact CD1-CG2 4.4Å; I170-V188 HydrophobicContact CG2-CG1 4.37Å; I170-L227 HydrophobicContact CG2-CD1 4.16Å; I170-L227 HydrophobicContact CG2-CD2 4.33Å; I170-I231 HydrophobicContact CG2-CD1 4.14Å; I170-I231 HydrophobicContact CG2-CG1 4.45Å; I170-V240 HydrophobicContact CB-CG1 3.75Å; I170-V240 HydrophobicContact CG2-CG1 4.13Å
171L98.9Very high98.1Very high1 Ų121.9 Ų21.91%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-124.3108.8179.9-69.182.4000108.9V147 A149 M169 V173 V240 V241 G243 F428V147-L171 HydrophobicContact CG1-CB 3.97Å; V147-L171 HydrophobicContact CG1-CD2 4.45Å; V147-L171 HydrophobicContact CG1-CG 4.47Å; A149-L171 HydrophobicContact CB-CD1 4Å; A149-L171 HydrophobicContact CB-CD2 4.16Å; A149-L171 HydrophobicContact CB-CG 3.8Å; M169-L171 HydrophobicContact CB-CD1 4.17Å; L171-V173 HydrophobicContact CB-CG1 4.06Å; L171-V173 PolarHBondContact O-N 2.96Å; L171-V240 WeakPolarHBondContact O-CA 3.41Å; L171-V241 HydrophobicContact CB-CG2 3.79Å; L171-V241 PolarHBondContact N-O 3.41Å; L171-V241 PolarHBondContact O-N 2.89Å; L171-G243 VanDerWaalsContact CD1-N 3.33Å; L171-F428 HydrophobicContact CD2-CE2 4.4Å
172P98.9Very high98.3Very high1 Ų122.3 Ų22.31%0.00612%0.121CC..  trans-78.961178.935.6-38.6000111.8P148 F150 G174 A175 A181 I184 K239 V240P148-P172 HydrophobicContact CG-CG 4.05Å; P148-P172 VanDerWaalsContact O-CD 3.25Å; P148-P172 WeakPolarHBondContact O-CD 3.37Å; F150-P172 HydrophobicContact CE2-CG 4.1Å; P172-G174 PolarHBondContact O-N 2.74Å; P172-G174 VanDerWaalsContact O-N 3.17Å; P172-A175 WeakPolarHBondContact O-CB 3.46Å; P172-A175 PolarHBondContact O-N 3.45Å; P172-A175 VanDerWaalsContact O-N 3.14Å; P172-A181 HydrophobicContact CB-CB 4.21Å; P172-A181 HydrophobicContact CG-CB 3.51Å; P172-A181 WeakPolarHBondContact CG-O 3.49Å; P172-I184 HydrophobicContact CB-CB 4.08Å; P172-I184 HydrophobicContact CB-CG2 3.76Å; P172-K239 CarbonylContact C-O 3.58Å; P172-K239 WeakPolarHBondContact CA-O 3.37Å; P172-V240 HydrophobicContact CB-CG2 4.3Å
173V98.8Very high98.5Very high5 Ų523.5 Ų23.53%0.0312%0.123CC..THydrogen-bonded Turntrans-62.5-20.7-176.6-63.40000114.1V147 L171 K239 V241 G425 R426 F428V147-V173 HydrophobicContact CG1-CG1 4.02Å; V147-V173 HydrophobicContact CG2-CG1 4.39Å; L171-V173 HydrophobicContact CB-CG1 4.06Å; L171-V173 PolarHBondContact O-N 2.96Å; V173-K239 PolarHBondContact N-O 3.13Å; V173-K239 VanDerWaalsContact N-O 3.1Å; V173-V241 HydrophobicContact CB-CG2 4.35Å; V173-V241 HydrophobicContact CG1-CG2 3.63Å; V173-V241 HydrophobicContact CG2-CB 4.42Å; V173-V241 HydrophobicContact CG2-CG1 3.85Å; V173-V241 HydrophobicContact CG2-CG2 3.74Å; V173-G425 CarbonylContact O-C 3.53Å; V173-G425 VanDerWaalsContact O-CA 3.25Å; V173-G425 WeakPolarHBondContact O-CA 3.44Å; V173-R426 HydrophobicContact CB-CG 4.38Å; V173-R426 HydrophobicContact CG2-CG 4.4Å; V173-R426 PolarHBondContact O-N 2.97Å; V173-R426 VanDerWaalsContact O-N 3.09Å; V173-F428 HydrophobicContact CG1-CD1 3.86Å; V173-F428 HydrophobicContact CG1-CE1 4.15Å
174G98.7Very high98.6Very high22 Ų2223.5 Ų23.523%0.22712%0.123CC..THydrogen-bonded Turntrans-92.36.2177.600000115P172 K239P172-G174 PolarHBondContact O-N 2.74Å; P172-G174 VanDerWaalsContact O-N 3.17Å; G174-K239 PolarHBondContact N-O 2.54Å
175A98.8Very high98.7Very high8 Ų823.5 Ų23.57%0.06612%0.123CC..  trans-68.4150.3170.800000111.3P172 E180 A181 I184 F423P172-A175 WeakPolarHBondContact O-CB 3.46Å; P172-A175 PolarHBondContact O-N 3.45Å; P172-A175 VanDerWaalsContact O-N 3.14Å; A175-E180 HydrophobicContact CB-CB 4.18Å; A175-E180 HydrophobicContact CB-CG 4.27Å; A175-A181 HydrophobicContact CB-CB 3.77Å; A175-I184 HydrophobicContact CB-CD1 4.09Å; A175-F423 HydrophobicContact CB-CE1 3.91Å; A175-F423 HydrophobicContact CB-CZ 4.24Å; A175-F423 WeakPolarHBondContact O-CD1 3.48Å; A175-F423 VanDerWaalsContact O-CE1 3.25Å; A175-F423 WeakPolarHBondContact O-CE1 3.11Å
176A98.3Very high98.7Very high79 Ų7924.8 Ų24.865%0.65313%0.133SC*.SBendtrans-78.8-25.8177.200000112.9E180A176-E180 VanDerWaalsContact CB-OE2 3.26Å; A176-E180 WeakPolarHBondContact CB-OE2 3.39Å; A176-E180 PolarHBondContact N-OE2 2.65Å
177N98.7Very high98.8Very high63 Ų6327.5 Ų27.534%0.33715%0.146SC..SBendtrans-156.2173.7-177.560.349.3000111R179 E180 A181 E414N177-R179 PolarHBondContact OD1-N 2.79Å; N177-E180 PolarHBondContact O-N 3.41Å; N177-E180 WeakPolarHBondContact OD1-CB 3.45Å; N177-E180 PolarHBondContact OD1-N 3.01Å; N177-A181 PolarHBondContact O-N 2.82Å; N177-E414 WeakPolarHBondContact CB-OE1 3.36Å
178F98.9Very high98.8Very high0 Ų027.3 Ų27.30%015%0.145CC..Hα-helixtrans-67.8-38.8-176.7-176.1-93000112L145 P146 P148 E180 A181 M182 Y407 L410 L411 E414 F423L145-F178 HydrophobicContact CB-CB 4.29Å; L145-F178 HydrophobicContact CD1-CB 4.02Å; P146-F178 WeakPolarHBondContact O-CD2 3.31Å; P148-F178 HydrophobicContact CB-CE2 4.17Å; P148-F178 HydrophobicContact CG-CE2 4.01Å; F178-E180 VanDerWaalsContact C-N 3.34Å; F178-E180 PolarHBondContact O-N 3.42Å; F178-A181 WeakPolarHBondContact O-CB 3.23Å; F178-A181 PolarHBondContact O-N 3.48Å; F178-M182 HydrophobicContact CD1-CG 3.97Å; F178-M182 HydrophobicContact CE1-CG 3.35Å; F178-M182 HydrophobicContact CE1-SD 3.99Å; F178-M182 HydrophobicContact CZ-CG 3.68Å; F178-M182 HydrophobicContact CZ-SD 3.75Å; F178-M182 PolarHBondContact O-N 3.09Å; F178-Y407 WeakPolarHBondContact CE1-O 3.46Å; F178-Y407 HydrophobicContact CZ-CD1 4.07Å; F178-L410 HydrophobicContact CD1-CB 3.82Å; F178-L410 HydrophobicContact CD2-CB 4.4Å; F178-L410 HydrophobicContact CE1-CB 3.25Å; F178-L410 HydrophobicContact CE1-CD1 4.3Å; F178-L410 HydrophobicContact CE1-CG 4.39Å; F178-L410 HydrophobicContact CE2-CB 3.91Å; F178-L410 HydrophobicContact CE2-CD1 3.56Å; F178-L410 HydrophobicContact CE2-CG 4.31Å; F178-L410 HydrophobicContact CG-CB 4.37Å; F178-L410 HydrophobicContact CZ-CB 3.31Å; F178-L410 HydrophobicContact CZ-CD1 3.44Å; F178-L410 VanDerWaalsContact CZ-CD1 3.44Å; F178-L410 HydrophobicContact CZ-CG 4Å; F178-L411 HydrophobicContact CD1-CD2 3.89Å; F178-L411 HydrophobicContact CD1-CG 4.2Å; F178-L411 HydrophobicContact CE1-CD2 4.12Å; F178-L411 HydrophobicContact CE1-CG 4Å; F178-E414 WeakPolarHBondContact CA-OE1 3.18Å; F178-E414 VanDerWaalsContact CB-OE1 3.29Å; F178-E414 WeakPolarHBondContact CB-OE1 3.36Å; F178-E414 PolarHBondContact N-OE1 2.92Å; F178-F423 HydrophobicContact CB-CD2 4.19Å; F178-F423 HydrophobicContact CB-CE2 4.44Å; F178-F423 HydrophobicContact CD2-CE2 4.4Å
179R98.8Very high98.8Very high136 Ų13627.9 Ų27.951%0.51315%0.147SC..Hα-helixtrans-57.2-43.8173.6-178.3-178.3-61.3-149.6-2.9113N177 R183 L411 E414 E415N177-R179 PolarHBondContact OD1-N 2.79Å; R179-R183 PolarHBondContact O-N 2.88Å; R179-R183 VanDerWaalsContact O-N 3.14Å; R179-L411 HydrophobicContact CB-CD2 3.89Å; R179-L411 HydrophobicContact CG-CD2 4.2Å; R179-E414 WeakPolarHBondContact CB-OE2 3.36Å; R179-E414 PolarHBondContact N-OE1 2.99Å; R179-E414 PolarHBondContact N-OE2 3.09Å; R179-E415 IonicContact NH2-OE2 3.96Å; R179-E415 PolarHBondContact NH2-OE2 2.82Å
180E98.9Very high98.8Very high34 Ų3433 Ų3316%0.15917%0.171CC..Hα-helixtrans-67.6-41.8175.2-171-170.9179.700111.1A175 A176 N177 F178 M182 R183 I184 K239A175-E180 HydrophobicContact CB-CB 4.18Å; A175-E180 HydrophobicContact CB-CG 4.27Å; A176-E180 VanDerWaalsContact CB-OE2 3.26Å; A176-E180 WeakPolarHBondContact CB-OE2 3.39Å; A176-E180 PolarHBondContact N-OE2 2.65Å; N177-E180 PolarHBondContact O-N 3.41Å; N177-E180 WeakPolarHBondContact OD1-CB 3.45Å; N177-E180 PolarHBondContact OD1-N 3.01Å; F178-E180 VanDerWaalsContact C-N 3.34Å; F178-E180 PolarHBondContact O-N 3.42Å; E180-M182 VanDerWaalsContact C-N 3.32Å; E180-M182 PolarHBondContact O-N 3.35Å; E180-R183 PolarHBondContact O-N 3.05Å; E180-R183 VanDerWaalsContact O-N 3.15Å; E180-I184 HydrophobicContact CG-CD1 3.89Å; E180-I184 HydrophobicContact CG-CG1 4.31Å; E180-I184 WeakPolarHBondContact O-CG1 3.33Å; E180-I184 PolarHBondContact O-N 3.47Å; E180-K239 IonicContact OE1-NZ 3.74Å; E180-K239 PolarHBondContact OE1-NZ 3.38Å
181A98.9Very high98.8Very high0 Ų035 Ų350%018%0.182CC..Hα-helixtrans-56.4-44.7175.200000112.1P148 P172 A175 N177 F178 I184 G185 F423P148-A181 HydrophobicContact CG-CB 4.03Å; P172-A181 HydrophobicContact CB-CB 4.21Å; P172-A181 HydrophobicContact CG-CB 3.51Å; P172-A181 WeakPolarHBondContact CG-O 3.49Å; A175-A181 HydrophobicContact CB-CB 3.77Å; N177-A181 PolarHBondContact O-N 2.82Å; F178-A181 WeakPolarHBondContact O-CB 3.23Å; F178-A181 PolarHBondContact O-N 3.48Å; A181-I184 PolarHBondContact O-N 2.81Å; A181-G185 PolarHBondContact O-N 3.22Å; A181-F423 HydrophobicContact CB-CE2 4.08Å; A181-F423 HydrophobicContact CB-CZ 3.78Å
182M98.9Very high98.8Very high18 Ų1835 Ų359%0.08918%0.181CC..Hα-helixtrans-60-45.4174.2-78.8-58.9-54.300112.7F150 F178 E180 G185 A186 Y407 L411F150-M182 HydrophobicContact CE1-CE 4.11Å; F150-M182 HydrophobicContact CE1-SD 3.62Å; F150-M182 HydrophobicContact CZ-CE 4.29Å; F150-M182 HydrophobicContact CZ-SD 3.47Å; F150-M182 WeakPolarHBondContact CZ-SD 3.44Å; F178-M182 HydrophobicContact CD1-CG 3.97Å; F178-M182 HydrophobicContact CE1-CG 3.35Å; F178-M182 HydrophobicContact CE1-SD 3.99Å; F178-M182 HydrophobicContact CZ-CG 3.68Å; F178-M182 HydrophobicContact CZ-SD 3.75Å; F178-M182 PolarHBondContact O-N 3.09Å; E180-M182 VanDerWaalsContact C-N 3.32Å; E180-M182 PolarHBondContact O-N 3.35Å; M182-G185 PolarHBondContact O-N 3.03Å; M182-A186 WeakPolarHBondContact O-CB 3.37Å; M182-A186 PolarHBondContact O-N 2.88Å; M182-Y407 HydrophobicContact CE-CD2 4.34Å; M182-Y407 HydrophobicContact CE-CG 3.93Å; M182-Y407 HydrophobicContact SD-CD1 3.69Å; M182-Y407 HydrophobicContact SD-CD2 4.48Å; M182-Y407 HydrophobicContact SD-CE1 4.48Å; M182-Y407 HydrophobicContact SD-CG 3.68Å; M182-L411 HydrophobicContact CB-CD2 4.43Å; M182-L411 HydrophobicContact CG-CD2 4.14Å; M182-L411 HydrophobicContact CG-CG 4.34Å
183R98.9Very high98.8Very high114 Ų11439.3 Ų39.343%0.4320%0.2SC..Hα-helixtrans-61.6-49177.7-177.2-179.869.988.11.9111.5R179 E180 G185 A186 E187 Y236R179-R183 PolarHBondContact O-N 2.88Å; R179-R183 VanDerWaalsContact O-N 3.14Å; E180-R183 PolarHBondContact O-N 3.05Å; E180-R183 VanDerWaalsContact O-N 3.15Å; R183-G185 PolarHBondContact O-N 2.97Å; R183-A186 PolarHBondContact O-N 3.34Å; R183-E187 WeakPolarHBondContact CD-OE1 3.4Å; R183-E187 HydrophobicContact CG-CG 4.44Å; R183-E187 WeakPolarHBondContact CG-OE1 3.25Å; R183-E187 IonicContact CZ-OE1 2.83Å; R183-E187 IonicContact NH1-OE1 3.59Å; R183-E187 PolarHBondContact NH1-OE1 2.89Å; R183-E187 IonicContact NH1-OE2 2.94Å; R183-E187 PolarHBondContact NH1-OE2 2.54Å; R183-E187 WeakPolarHBondContact O-CB 3.4Å; R183-E187 WeakPolarHBondContact O-CG 3.25Å; R183-E187 PolarHBondContact O-N 2.88Å; R183-Y236 PolarHBondContact NH1-OH 3.34Å; R183-Y236 PolarHBondContact NH2-OH 2.87Å
184I98.9Very high98.8Very high0 Ų043.5 Ų43.50%022%0.223CC..Hα-helixtrans-57.7-49.4177.7-70.2171.3000110.2P172 A175 E180 A181 A186 E187 V188 Y236 K239 V240P172-I184 HydrophobicContact CB-CB 4.08Å; P172-I184 HydrophobicContact CB-CG2 3.76Å; A175-I184 HydrophobicContact CB-CD1 4.09Å; E180-I184 HydrophobicContact CG-CD1 3.89Å; E180-I184 HydrophobicContact CG-CG1 4.31Å; E180-I184 WeakPolarHBondContact O-CG1 3.33Å; E180-I184 PolarHBondContact O-N 3.47Å; A181-I184 PolarHBondContact O-N 2.81Å; I184-A186 PolarHBondContact O-N 3.29Å; I184-E187 PolarHBondContact O-N 2.95Å; I184-V188 HydrophobicContact CG2-CG2 4.43Å; I184-V188 WeakPolarHBondContact O-CG2 3.43Å; I184-V188 PolarHBondContact O-N 2.87Å; I184-Y236 HydrophobicContact CB-CD2 4.41Å; I184-Y236 HydrophobicContact CB-CE2 4.37Å; I184-Y236 HydrophobicContact CD1-CD1 4.22Å; I184-Y236 HydrophobicContact CD1-CE1 4.21Å; I184-Y236 HydrophobicContact CG1-CD1 4.02Å; I184-Y236 HydrophobicContact CG1-CD2 4.36Å; I184-Y236 HydrophobicContact CG1-CE1 3.76Å; I184-Y236 HydrophobicContact CG1-CE2 4.12Å; I184-Y236 HydrophobicContact CG1-CG 4.32Å; I184-Y236 HydrophobicContact CG2-CD1 4.32Å; I184-Y236 HydrophobicContact CG2-CD2 3.78Å; I184-Y236 HydrophobicContact CG2-CE2 4.24Å; I184-Y236 HydrophobicContact CG2-CG 3.83Å; I184-K239 HydrophobicContact CD1-CB 4.44Å; I184-K239 HydrophobicContact CD1-CD 3.77Å; I184-V240 HydrophobicContact CG2-CG2 3.39Å
185G98.9Very high98.8Very high0 Ų043 Ų430%022%0.215CC..Hα-helixtrans-57.8-45.2178.600000113A181 M182 R183 Y189A181-G185 PolarHBondContact O-N 3.22Å; M182-G185 PolarHBondContact O-N 3.03Å; R183-G185 PolarHBondContact O-N 2.97Å; G185-Y189 VanDerWaalsContact O-CB 3.31Å; G185-Y189 WeakPolarHBondContact O-CB 3.48Å; G185-Y189 PolarHBondContact O-N 2.7Å
186A98.9Very high98.8Very high27 Ų2742.6 Ų42.622%0.22321%0.212CC..Hα-helixtrans-65.9-42.3177.800000112.9M182 R183 I184 Y189 H190 P398M182-A186 WeakPolarHBondContact O-CB 3.37Å; M182-A186 PolarHBondContact O-N 2.88Å; R183-A186 PolarHBondContact O-N 3.34Å; I184-A186 PolarHBondContact O-N 3.29Å; A186-Y189 PolarHBondContact O-N 3.37Å; A186-H190 VanDerWaalsContact O-CG 3.28Å; A186-H190 PolarHBondContact O-N 3.03Å; A186-H190 PolarHBondContact O-ND1 2.95Å; A186-P398 HydrophobicContact CB-CB 4.41Å
187E98.9Very high98.8Very high63 Ų6344.4 Ų44.429%0.29421%0.205SC..Hα-helixtrans-65.8-40.5177.8-73.6174.7-163.100112R183 I184 N191 Y236R183-E187 WeakPolarHBondContact CD-OE1 3.4Å; R183-E187 HydrophobicContact CG-CG 4.44Å; R183-E187 WeakPolarHBondContact CG-OE1 3.25Å; R183-E187 IonicContact CZ-OE1 2.83Å; R183-E187 IonicContact NH1-OE1 3.59Å; R183-E187 PolarHBondContact NH1-OE1 2.89Å; R183-E187 IonicContact NH1-OE2 2.94Å; R183-E187 PolarHBondContact NH1-OE2 2.54Å; R183-E187 WeakPolarHBondContact O-CB 3.4Å; R183-E187 WeakPolarHBondContact O-CG 3.25Å; R183-E187 PolarHBondContact O-N 2.88Å; I184-E187 PolarHBondContact O-N 2.95Å; E187-N191 WeakPolarHBondContact O-CB 2.88Å; E187-N191 PolarHBondContact O-N 2.76Å; E187-N191 PolarHBondContact O-ND2 3.01Å; E187-Y236 HydrophobicContact CB-CE2 4.09Å; E187-Y236 WeakPolarHBondContact OE2-CE2 3.25Å; E187-Y236 VanDerWaalsContact OE2-CZ 3.23Å; E187-Y236 PolarHBondContact OE2-OH 3.24Å
188V98.9Very high98.8Very high0 Ų048.4 Ų48.40%022%0.221CC..Hα-helixtrans-64.6-44.1172.71760000110.8I170 I184 H190 N191 L192 A230 I231 A234 Y236 V240I170-V188 HydrophobicContact CD1-CB 3.6Å; I170-V188 HydrophobicContact CD1-CG1 3.51Å; I170-V188 HydrophobicContact CD1-CG2 4.4Å; I170-V188 HydrophobicContact CG2-CG1 4.37Å; I184-V188 HydrophobicContact CG2-CG2 4.43Å; I184-V188 WeakPolarHBondContact O-CG2 3.43Å; I184-V188 PolarHBondContact O-N 2.87Å; V188-H190 PolarHBondContact O-N 3.07Å; V188-N191 PolarHBondContact O-N 2.84Å; V188-L192 WeakPolarHBondContact O-CB 3.48Å; V188-L192 PolarHBondContact O-N 3.37Å; V188-A230 HydrophobicContact CG1-CB 4.31Å; V188-I231 HydrophobicContact CG1-CG1 3.78Å; V188-I231 HydrophobicContact CG2-CG1 4.45Å; V188-A234 HydrophobicContact CG2-CB 3.8Å; V188-Y236 HydrophobicContact CG2-CD2 3.99Å; V188-V240 HydrophobicContact CG2-CG2 4.42Å
189Y98.9Very high98.7Very high11 Ų1153.9 Ų53.94%0.04325%0.245CC..Hα-helixtrans-60.3-42.9177.3177.2-104.6000112.5V152 G185 A186 L192 K193 V207 G211 F213 A397 P398 C399V152-Y189 HydrophobicContact CB-CD2 4.08Å; V152-Y189 HydrophobicContact CG1-CD2 3.78Å; V152-Y189 HydrophobicContact CG1-CG 4.49Å; G185-Y189 VanDerWaalsContact O-CB 3.31Å; G185-Y189 WeakPolarHBondContact O-CB 3.48Å; G185-Y189 PolarHBondContact O-N 2.7Å; A186-Y189 PolarHBondContact O-N 3.37Å; Y189-L192 WeakPolarHBondContact O-CB 3.27Å; Y189-L192 PolarHBondContact O-N 3.41Å; Y189-K193 PolarHBondContact O-N 3.37Å; Y189-V207 WeakPolarHBondContact OH-CG1 3.47Å; Y189-G211 WeakPolarHBondContact CE2-O 3.39Å; Y189-G211 PolarHBondContact OH-O 2.81Å; Y189-F213 HydrophobicContact CD1-CZ 4.37Å; Y189-F213 HydrophobicContact CD2-CD2 4.31Å; Y189-F213 AromaticContact CD2-CE2 3.55Å; Y189-F213 HydrophobicContact CD2-CE2 3.55Å; Y189-F213 AromaticContact CD2-CZ 3.99Å; Y189-F213 HydrophobicContact CD2-CZ 3.99Å; Y189-F213 HydrophobicContact CE1-CE2 4.4Å; Y189-F213 AromaticContact CE1-CZ 3.84Å; Y189-F213 HydrophobicContact CE1-CZ 3.84Å; Y189-F213 AromaticContact CE2-CD2 3.89Å; Y189-F213 HydrophobicContact CE2-CD2 3.89Å; Y189-F213 HydrophobicContact CE2-CE1 4.16Å; Y189-F213 AromaticContact CE2-CE2 3.26Å; Y189-F213 HydrophobicContact CE2-CE2 3.26Å; Y189-F213 AromaticContact CE2-CZ 3.39Å; Y189-F213 HydrophobicContact CE2-CZ 3.39Å; Y189-F213 HydrophobicContact CG-CE2 4.23Å; Y189-F213 HydrophobicContact CG-CZ 4.43Å; Y189-F213 AromaticContact CZ-CE1 3.88Å; Y189-F213 AromaticContact CZ-CE2 3.73Å; Y189-F213 AromaticContact CZ-CZ 3.29Å; Y189-F213 WeakPolarHBondContact O-CE2 3.35Å; Y189-F213 WeakPolarHBondContact OH-CZ 3.49Å; Y189-A397 HydrophobicContact CE2-CB 4.12Å; Y189-P398 HydrophobicContact CD1-CG 3.93Å; Y189-P398 HydrophobicContact CD2-CG 4.34Å; Y189-P398 HydrophobicContact CG-CG 3.7Å; Y189-C399 HydrophobicContact CE1-CB 3.85Å; Y189-C399 WeakPolarHBondContact OH-CB 3.24Å; Y189-C399 PolarHBondContact OH-SG 2.8Å
190H98.8Very high98.6Very high110 Ų11051.3 Ų51.351%0.50924%0.236SC..Hα-helixtrans-67.3-38.4175.5-65.9152.5000112.8A186 V188 K193 N194A186-H190 VanDerWaalsContact O-CG 3.28Å; A186-H190 PolarHBondContact O-N 3.03Å; A186-H190 PolarHBondContact O-ND1 2.95Å; V188-H190 PolarHBondContact O-N 3.07Å; H190-K193 WeakPolarHBondContact O-CB 3.48Å; H190-K193 PolarHBondContact O-N 2.87Å; H190-N194 PolarHBondContact O-N 3Å
191N98.8Very high98.6Very high43 Ų4351.2 Ų51.223%0.2324%0.244CC..Hα-helixtrans-64-41.9172.5-85.9-78.7000111.6E187 V188 K193 N194 V195 A234E187-N191 WeakPolarHBondContact O-CB 2.88Å; E187-N191 PolarHBondContact O-N 2.76Å; E187-N191 PolarHBondContact O-ND2 3.01Å; V188-N191 PolarHBondContact O-N 2.84Å; N191-K193 VanDerWaalsContact C-N 3.31Å; N191-K193 PolarHBondContact O-N 3.48Å; N191-N194 WeakPolarHBondContact O-CB 3.42Å; N191-N194 PolarHBondContact O-N 3.4Å; N191-V195 WeakPolarHBondContact O-CG2 3.33Å; N191-V195 PolarHBondContact O-N 3.11Å; N191-A234 HydrophobicContact CB-CB 4.4Å
192L98.8Very high98.5Very high0 Ų058.2 Ų58.20%028%0.275CS..Hα-helixtrans-59-42176.3-179.863.2000111.6V152 I153 V188 Y189 N194 V195 I196 F213 L226 L227 A230V152-L192 HydrophobicContact CB-CD2 3.77Å; V152-L192 HydrophobicContact CG2-CD2 3.88Å; V152-L192 WeakPolarHBondContact O-CD2 3.29Å; I153-L192 HydrophobicContact CD1-CD1 4.26Å; I153-L192 HydrophobicContact CD1-CD2 4.34Å; I153-L192 HydrophobicContact CG1-CD2 3.8Å; V188-L192 WeakPolarHBondContact O-CB 3.48Å; V188-L192 PolarHBondContact O-N 3.37Å; Y189-L192 WeakPolarHBondContact O-CB 3.27Å; Y189-L192 PolarHBondContact O-N 3.41Å; L192-N194 VanDerWaalsContact C-N 3.26Å; L192-N194 PolarHBondContact O-N 2.91Å; L192-V195 PolarHBondContact O-N 3.29Å; L192-I196 HydrophobicContact CD1-CD1 3.87Å; L192-I196 HydrophobicContact CD1-CG1 4.07Å; L192-I196 HydrophobicContact CD2-CD1 4.46Å; L192-I196 HydrophobicContact CG-CD1 3.81Å; L192-I196 HydrophobicContact CG-CG1 4.38Å; L192-I196 WeakPolarHBondContact O-CB 3.31Å; L192-I196 WeakPolarHBondContact O-CG1 3.4Å; L192-I196 PolarHBondContact O-N 3.08Å; L192-F213 HydrophobicContact CB-CD2 4.44Å; L192-F213 HydrophobicContact CB-CE2 4.19Å; L192-F213 HydrophobicContact CD2-CD2 3.77Å; L192-F213 HydrophobicContact CD2-CE2 4.15Å; L192-F213 HydrophobicContact CG-CD2 3.83Å; L192-F213 HydrophobicContact CG-CE2 4.08Å; L192-L226 HydrophobicContact CD1-CB 3.98Å; L192-L227 HydrophobicContact CD1-CD2 4.13Å; L192-L227 HydrophobicContact CD2-CD2 3.71Å; L192-A230 HydrophobicContact CB-CB 3.65Å; L192-A230 HydrophobicContact CD1-CB 3.89Å; L192-A230 HydrophobicContact CG-CB 4.36Å
193K98.8Very high98.3Very high92 Ų9263.2 Ų63.240%0.430%0.302SS..Hα-helixtrans-53.4-45.8172.9-164.6170.5-178.7170.10111.9Y189 H190 N191 K197 T205 F213Y189-K193 PolarHBondContact O-N 3.37Å; H190-K193 WeakPolarHBondContact O-CB 3.48Å; H190-K193 PolarHBondContact O-N 2.87Å; N191-K193 VanDerWaalsContact C-N 3.31Å; N191-K193 PolarHBondContact O-N 3.48Å; K193-K197 VanDerWaalsContact O-CB 3.24Å; K193-K197 WeakPolarHBondContact O-CB 3.46Å; K193-K197 PolarHBondContact O-N 3.32Å; K193-T205 HydrophobicContact CG-CG2 4.04Å; K193-T205 WeakPolarHBondContact O-CG2 3.46Å; K193-F213 HydrophobicContact CB-CE1 3.91Å; K193-F213 HydrophobicContact CB-CE2 3.86Å; K193-F213 HydrophobicContact CB-CZ 3.33Å; K193-F213 HydrophobicContact CD-CE1 3.9Å; K193-F213 HydrophobicContact CD-CZ 3.94Å; K193-F213 HydrophobicContact CG-CE1 3.63Å; K193-F213 HydrophobicContact CG-CE2 4.49Å; K193-F213 HydrophobicContact CG-CZ 3.6Å
194N98.6Very high98.2Very high94 Ų9458.2 Ų58.250%0.50329%0.285SS..Hα-helixtrans-68.8-43-179.4-67.2-27.5000111.5H190 N191 L192 K197 E198H190-N194 PolarHBondContact O-N 3Å; N191-N194 WeakPolarHBondContact O-CB 3.42Å; N191-N194 PolarHBondContact O-N 3.4Å; L192-N194 VanDerWaalsContact C-N 3.26Å; L192-N194 PolarHBondContact O-N 2.91Å; N194-K197 PolarHBondContact O-N 3.01Å; N194-E198 VanDerWaalsContact O-CB 3.28Å; N194-E198 WeakPolarHBondContact O-CB 3.24Å; N194-E198 PolarHBondContact O-N 3.26Å
195V98.6Very high98.2Very high10 Ų1059.2 Ų59.26%0.06129%0.291CS..Hα-helixtrans-59.4-47.5176.1173.90000111.1N191 L192 E198 K199 L226 T229 K233N191-V195 WeakPolarHBondContact O-CG2 3.33Å; N191-V195 PolarHBondContact O-N 3.11Å; L192-V195 PolarHBondContact O-N 3.29Å; V195-E198 PolarHBondContact O-N 2.92Å; V195-K199 PolarHBondContact O-N 3.13Å; V195-K199 VanDerWaalsContact O-N 3.08Å; V195-L226 HydrophobicContact CG1-CD2 3.71Å; V195-T229 HydrophobicContact CG1-CG2 4.02Å; V195-T229 HydrophobicContact CG2-CG2 3.94Å; V195-K233 HydrophobicContact CG2-CD 3.73Å
196I98.6Very high98.1Very high0 Ų064.3 Ų64.30%032%0.318CS..Hα-helixtrans-64.9-44.9178.1-68.6172.2000110.6L192 E198 K199 Y200 A204 T205 F213 P215 L226L192-I196 HydrophobicContact CD1-CD1 3.87Å; L192-I196 HydrophobicContact CD1-CG1 4.07Å; L192-I196 HydrophobicContact CD2-CD1 4.46Å; L192-I196 HydrophobicContact CG-CD1 3.81Å; L192-I196 HydrophobicContact CG-CG1 4.38Å; L192-I196 WeakPolarHBondContact O-CB 3.31Å; L192-I196 WeakPolarHBondContact O-CG1 3.4Å; L192-I196 PolarHBondContact O-N 3.08Å; I196-E198 VanDerWaalsContact C-N 3.29Å; I196-E198 PolarHBondContact O-N 2.86Å; I196-K199 PolarHBondContact O-N 3.16Å; I196-Y200 PolarHBondContact O-N 3.31Å; I196-A204 HydrophobicContact CG2-CB 3.67Å; I196-A204 WeakPolarHBondContact CG2-O 3.33Å; I196-T205 HydrophobicContact CB-CG2 4.32Å; I196-T205 HydrophobicContact CG2-CG2 3.99Å; I196-F213 HydrophobicContact CD1-CB 3.5Å; I196-F213 VanDerWaalsContact CD1-CB 3.5Å; I196-F213 HydrophobicContact CD1-CD2 3.75Å; I196-F213 HydrophobicContact CD1-CG 3.81Å; I196-P215 HydrophobicContact CD1-CG 4.26Å; I196-P215 HydrophobicContact CG2-CB 4.05Å; I196-L226 HydrophobicContact CG1-CD1 4.16Å; I196-L226 HydrophobicContact CG1-CD2 4.26Å
197K98.3Very high98Very high118 Ų11865.6 Ų65.651%0.51332%0.323SS..Hα-helixtrans-58.7-42177.8-175.3176174.8-174.60112.2K193 N194 G201 T205K193-K197 VanDerWaalsContact O-CB 3.24Å; K193-K197 WeakPolarHBondContact O-CB 3.46Å; K193-K197 PolarHBondContact O-N 3.32Å; N194-K197 PolarHBondContact O-N 3.01Å; K197-G201 CarbonylContact O-C 3.59Å; K197-G201 WeakPolarHBondContact O-CA 3.26Å; K197-G201 PolarHBondContact O-N 3.31Å; K197-T205 HydrophobicContact CB-CG2 3.78Å
198E98.1Very high97.9Very high146 Ų14662.9 Ų62.968%0.68231%0.313SS*.Hα-helixtrans-66-42.9179.9-175178.1-17500111.4N194 V195 I196 K233N194-E198 VanDerWaalsContact O-CB 3.28Å; N194-E198 WeakPolarHBondContact O-CB 3.24Å; N194-E198 PolarHBondContact O-N 3.26Å; V195-E198 PolarHBondContact O-N 2.92Å; I196-E198 VanDerWaalsContact C-N 3.29Å; I196-E198 PolarHBondContact O-N 2.86Å; E198-K233 IonicContact OE2-NZ 2.7Å; E198-K233 PolarHBondContact OE2-NZ 2.99Å
199K97.9Very high97.7Very high115 Ų11565 Ų6550%0.532%0.324SS..Hα-helixtrans-86-38.2-175-168.9170.3178.8-178.50114.4V195 I196 E222 L226V195-K199 PolarHBondContact O-N 3.13Å; V195-K199 VanDerWaalsContact O-N 3.08Å; I196-K199 PolarHBondContact O-N 3.16Å; K199-E222 WeakPolarHBondContact CE-OE1 3.38Å; K199-E222 IonicContact NZ-OE1 3.67Å; K199-E222 PolarHBondContact NZ-OE1 2.89Å; K199-E222 IonicContact NZ-OE2 3.73Å; K199-E222 PolarHBondContact NZ-OE2 3.45Å; K199-L226 HydrophobicContact CD-CD2 4.28Å
200Y97.4Very high97.6Very high83 Ų8364.6 Ų64.633%0.32532%0.322SS..Hα-helixtrans-120.91.8-170.1-64-69.7000114.1I196 P215 I217 E222 L226I196-Y200 PolarHBondContact O-N 3.31Å; Y200-P215 HydrophobicContact CD2-CB 4.41Å; Y200-I217 HydrophobicContact CD2-CG2 4.48Å; Y200-I217 HydrophobicContact CE1-CG2 3.87Å; Y200-I217 HydrophobicContact CE2-CG2 3.8Å; Y200-I217 VanDerWaalsContact CZ-CG2 3.47Å; Y200-E222 WeakPolarHBondContact OH-CG 3.44Å; Y200-E222 PolarHBondContact OH-OE1 2.96Å; Y200-L226 HydrophobicContact CE2-CD1 4.08Å; Y200-L226 HydrophobicContact CE2-CD2 4.11Å
201G97.3Very high97.6Very high32 Ų3259.4 Ų59.433%0.3330%0.298SS..  trans82.9170-179.300000113.8K197 D203 A204K197-G201 CarbonylContact O-C 3.59Å; K197-G201 WeakPolarHBondContact O-CA 3.26Å; K197-G201 PolarHBondContact O-N 3.31Å; G201-D203 VanDerWaalsContact C-N 3.27Å; G201-D203 PolarHBondContact O-N 2.88Å; G201-A204 PolarHBondContact O-N 2.99Å
202K96.5Very high97.6Very high147 Ų14757.3 Ų57.364%0.63929%0.287SS*.G310 helixtrans-62.4-31.9-174.468.2-178-178176.20113.4A204 T205K202-A204 PolarHBondContact O-N 3.18Å; K202-T205 PolarHBondContact O-N 3.27Å; K202-T205 PolarHBondContact O-OG1 2.93Å
203D95.7Very high97.6Very high122 Ų12257.4 Ų57.465%0.65229%0.287SS*.G310 helixtrans-70.2-22.6-174.7-56.8-32.2000111.8G201 T205 N206G201-D203 VanDerWaalsContact C-N 3.27Å; G201-D203 PolarHBondContact O-N 2.88Å; D203-T205 PolarHBondContact O-N 3.23Å; D203-N206 PolarHBondContact O-ND2 2.92Å
204A97.1Very high97.5Very high10 Ų1054.2 Ų54.28%0.08328%0.278CS..G310 helixtrans-76-4.3173.400000113.9I196 G201 K202 P215I196-A204 HydrophobicContact CG2-CB 3.67Å; I196-A204 WeakPolarHBondContact CG2-O 3.33Å; G201-A204 PolarHBondContact O-N 2.99Å; K202-A204 PolarHBondContact O-N 3.18Å; A204-P215 HydrophobicContact CB-CB 4.25Å
205T97.6Very high97.5Very high20 Ų2049.7 Ų49.712%0.12325%0.254CS..G310 helixtrans-100.910.4-179.567.80000114.4K193 I196 K197 K202 D203 F213K193-T205 HydrophobicContact CG-CG2 4.04Å; K193-T205 WeakPolarHBondContact O-CG2 3.46Å; I196-T205 HydrophobicContact CB-CG2 4.32Å; I196-T205 HydrophobicContact CG2-CG2 3.99Å; K197-T205 HydrophobicContact CB-CG2 3.78Å; K202-T205 PolarHBondContact O-N 3.27Å; K202-T205 PolarHBondContact O-OG1 2.93Å; D203-T205 PolarHBondContact O-N 3.23Å; T205-F213 WeakPolarHBondContact O-CD1 3.36Å
206N97.4Very high97.2Very high108 Ų10854.9 Ų54.958%0.57828%0.282SS*.  trans-68.3157.9162.9-64.5-51.8000109.8D203 F213 A214D203-N206 PolarHBondContact O-ND2 2.92Å; N206-F213 WeakPolarHBondContact O-CA 3.42Å; N206-A214 PolarHBondContact O-N 3.03Å
207V98Very high97Very high53 Ų5355.3 Ų55.332%0.32128%0.284SS..BIsolated β-bridgetrans-108.2149-173.9-61.10000111.9Y189 G211 G212 F213Y189-V207 WeakPolarHBondContact OH-CG1 3.47Å; V207-G211 VanDerWaalsContact CG1-O 3.31Å; V207-G211 WeakPolarHBondContact CG1-O 3.48Å; V207-G212 CarbonylContact C-O 3.5Å; V207-G212 WeakPolarHBondContact CA-O 3.33Å; V207-G212 WeakPolarHBondContact CB-O 3.3Å; V207-F213 HydrophobicContact CG1-CD1 4.23Å; V207-F213 HydrophobicContact CG1-CE1 4.32Å
208G95.7Very high96.8Very high7 Ų752.7 Ų52.77%0.07228%0.275CS..  trans-77.6-166.3170.700000112.9H158 E210 G211 G212 R400H158-G208 WeakPolarHBondContact O-CA 3.19Å; G208-E210 PolarHBondContact O-N 3.45Å; G208-G211 PolarHBondContact O-N 2.97Å; G208-G212 PolarHBondContact N-O 3.26Å; G208-R400 PolarHBondContact O-NH1 3.45Å
209D94.7Very high96.7Very high44 Ų4451.9 Ų51.924%0.23527%0.271CS..THydrogen-bonded Turntrans-59.3-31.6-178.1-79.8-8.7000112.7R15 H158 R400 R403R15-D209 VanDerWaalsContact CD-OD2 3.24Å; R15-D209 WeakPolarHBondContact CD-OD2 3.32Å; H158-D209 PolarHBondContact O-N 2.8Å; D209-R400 PolarHBondContact O-NE 3.11Å; D209-R403 PolarHBondContact O-NH2 3.14Å
210E97.9Very high96.6Very high3 Ų346.6 Ų46.61%0.01425%0.249CC..THydrogen-bonded Turntrans-104.79.6-174.2-59-171.2167.600114.3N151 H158 G208 G212 H371 S373 A397N151-E210 PolarHBondContact ND2-OE2 3.11Å; H158-E210 IonicContact CE1-OE1 2.83Å; H158-E210 PolarHBondContact CE1-OE1 3.05Å; H158-E210 VanDerWaalsContact CE1-OE1 3.22Å; H158-E210 IonicContact ND1-OE1 3.96Å; H158-E210 IonicContact ND1-OE2 3.42Å; G208-E210 PolarHBondContact O-N 3.45Å; E210-G212 VanDerWaalsContact C-N 3.34Å; E210-H371 IonicContact OE1-CE1 2.82Å; E210-H371 PolarHBondContact OE1-CE1 2.92Å; E210-H371 IonicContact OE1-NE2 2.63Å; E210-H371 PolarHBondContact OE1-NE2 3.34Å; E210-H371 IonicContact OE2-CE1 3.55Å; E210-H371 PolarHBondContact OE2-CE1 2.94Å; E210-H371 VanDerWaalsContact OE2-CE1 3.29Å; E210-H371 IonicContact OE2-NE2 3.29Å; E210-H371 PolarHBondContact OE2-NE2 2.96Å; E210-S373 WeakPolarHBondContact OE1-CA 3.36Å; E210-S373 WeakPolarHBondContact OE1-CB 3.46Å; E210-A397 WeakPolarHBondContact O-CB 3.4Å; E210-A397 PolarHBondContact O-N 3.46Å
211G98.2Very high96.6Very high0 Ų046.9 Ų46.90%025%0.252CS..SBendtrans85.7-1.9174.300000114.9Y189 V207 G208 A397Y189-G211 WeakPolarHBondContact CE2-O 3.39Å; Y189-G211 PolarHBondContact OH-O 2.81Å; V207-G211 VanDerWaalsContact CG1-O 3.31Å; V207-G211 WeakPolarHBondContact CG1-O 3.48Å; G208-G211 PolarHBondContact O-N 2.97Å; G211-A397 VanDerWaalsContact O-CB 3.25Å; G211-A397 WeakPolarHBondContact O-CB 3.35Å
212G98.4Very high96.6Very high0 Ų047.1 Ų47.10%024%0.244CC..  trans-75.4156.4170.500000111.3N151 V152 N154 V207 G208 E210N151-G212 WeakPolarHBondContact O-CA 3.39Å; V152-G212 CarbonylContact O-C 3.46Å; V152-G212 WeakPolarHBondContact O-CA 3.5Å; N154-G212 WeakPolarHBondContact OD1-CA 3.37Å; N154-G212 PolarHBondContact OD1-N 3.33Å; N154-G212 PolarHBondContact OD1-O 3.14Å; N154-G212 VanDerWaalsContact OD1-O 3.13Å; V207-G212 CarbonylContact C-O 3.5Å; V207-G212 WeakPolarHBondContact CA-O 3.33Å; V207-G212 WeakPolarHBondContact CB-O 3.3Å; G208-G212 PolarHBondContact N-O 3.26Å; E210-G212 VanDerWaalsContact C-N 3.34Å
213F98.6Very high96.7Very high1 Ų140.1 Ų40.10%0.00421%0.214CC..BIsolated β-bridgetrans-69148178.7-59-65.3000111.4V152 I153 N154 Y189 L192 K193 I196 T205 N206 V207 P215V152-F213 PolarHBondContact O-N 3.46Å; I153-F213 CarbonylContact C-O 3.52Å; I153-F213 WeakPolarHBondContact CA-O 3.48Å; N154-F213 PolarHBondContact N-O 2.89Å; Y189-F213 HydrophobicContact CD1-CZ 4.37Å; Y189-F213 HydrophobicContact CD2-CD2 4.31Å; Y189-F213 AromaticContact CD2-CE2 3.55Å; Y189-F213 HydrophobicContact CD2-CE2 3.55Å; Y189-F213 AromaticContact CD2-CZ 3.99Å; Y189-F213 HydrophobicContact CD2-CZ 3.99Å; Y189-F213 HydrophobicContact CE1-CE2 4.4Å; Y189-F213 AromaticContact CE1-CZ 3.84Å; Y189-F213 HydrophobicContact CE1-CZ 3.84Å; Y189-F213 AromaticContact CE2-CD2 3.89Å; Y189-F213 HydrophobicContact CE2-CD2 3.89Å; Y189-F213 HydrophobicContact CE2-CE1 4.16Å; Y189-F213 AromaticContact CE2-CE2 3.26Å; Y189-F213 HydrophobicContact CE2-CE2 3.26Å; Y189-F213 AromaticContact CE2-CZ 3.39Å; Y189-F213 HydrophobicContact CE2-CZ 3.39Å; Y189-F213 HydrophobicContact CG-CE2 4.23Å; Y189-F213 HydrophobicContact CG-CZ 4.43Å; Y189-F213 AromaticContact CZ-CE1 3.88Å; Y189-F213 AromaticContact CZ-CE2 3.73Å; Y189-F213 AromaticContact CZ-CZ 3.29Å; Y189-F213 WeakPolarHBondContact O-CE2 3.35Å; Y189-F213 WeakPolarHBondContact OH-CZ 3.49Å; L192-F213 HydrophobicContact CB-CD2 4.44Å; L192-F213 HydrophobicContact CB-CE2 4.19Å; L192-F213 HydrophobicContact CD2-CD2 3.77Å; L192-F213 HydrophobicContact CD2-CE2 4.15Å; L192-F213 HydrophobicContact CG-CD2 3.83Å; L192-F213 HydrophobicContact CG-CE2 4.08Å; K193-F213 HydrophobicContact CB-CE1 3.91Å; K193-F213 HydrophobicContact CB-CE2 3.86Å; K193-F213 HydrophobicContact CB-CZ 3.33Å; K193-F213 HydrophobicContact CD-CE1 3.9Å; K193-F213 HydrophobicContact CD-CZ 3.94Å; K193-F213 HydrophobicContact CG-CE1 3.63Å; K193-F213 HydrophobicContact CG-CE2 4.49Å; K193-F213 HydrophobicContact CG-CZ 3.6Å; I196-F213 HydrophobicContact CD1-CB 3.5Å; I196-F213 VanDerWaalsContact CD1-CB 3.5Å; I196-F213 HydrophobicContact CD1-CD2 3.75Å; I196-F213 HydrophobicContact CD1-CG 3.81Å; T205-F213 WeakPolarHBondContact O-CD1 3.36Å; N206-F213 WeakPolarHBondContact O-CA 3.42Å; V207-F213 HydrophobicContact CG1-CD1 4.23Å; V207-F213 HydrophobicContact CG1-CE1 4.32Å; F213-P215 WeakPolarHBondContact O-CD 3.44Å
214A97.8Very high96.8Very high25 Ų2534.3 Ų34.321%0.20718%0.183CC..  trans-116.263.7179.300000111.8A159 N206A159-A214 HydrophobicContact CB-CB 3.75Å; N206-A214 PolarHBondContact O-N 3.03Å
215P97Very high96.9Very high0 Ų036.8 Ų36.80%019%0.192CC..  trans-64.7148.4177.929.9-34.2000110.7I153 N161 I196 Y200 A204 F213 I217 L226I153-P215 HydrophobicContact CG2-CG 4.05Å; N161-P215 VanDerWaalsContact CB-O 3.24Å; N161-P215 WeakPolarHBondContact CB-O 3.46Å; N161-P215 PolarHBondContact ND2-O 2.97Å; I196-P215 HydrophobicContact CD1-CG 4.26Å; I196-P215 HydrophobicContact CG2-CB 4.05Å; Y200-P215 HydrophobicContact CD2-CB 4.41Å; A204-P215 HydrophobicContact CB-CB 4.25Å; F213-P215 WeakPolarHBondContact O-CD 3.44Å; P215-I217 HydrophobicContact CB-CG2 4.27Å; P215-I217 HydrophobicContact CG-CD1 4.03Å; P215-I217 HydrophobicContact CG-CG1 4.09Å; P215-I217 PolarHBondContact O-N 2.86Å; P215-L226 HydrophobicContact CG-CD1 4.35Å
216N93.3Very high96.9Very high119 Ų11936 Ų3664%0.63619%0.187SC*.  trans-80.863.8179.3-168.326.2000111.6
217I95.2Very high97Very high8 Ų830.8 Ų30.84%0.04116%0.16CC..  trans-106.4150.6176.360.7175.3000109.7K162 L163 Y200 P215 E222 L226K162-I217 CarbonylContact C-O 3.38Å; L163-I217 WeakPolarHBondContact CA-O 3.12Å; L163-I217 HydrophobicContact CB-CG1 4.31Å; L163-I217 WeakPolarHBondContact CB-O 3.42Å; L163-I217 HydrophobicContact CD1-CD1 4.18Å; L163-I217 HydrophobicContact CD1-CG1 4.13Å; L163-I217 HydrophobicContact CD2-CD1 4.09Å; L163-I217 HydrophobicContact CD2-CG1 4.15Å; L163-I217 HydrophobicContact CG-CG1 4.46Å; L163-I217 PolarHBondContact N-O 3.41Å; Y200-I217 HydrophobicContact CD2-CG2 4.48Å; Y200-I217 HydrophobicContact CE1-CG2 3.87Å; Y200-I217 HydrophobicContact CE2-CG2 3.8Å; Y200-I217 VanDerWaalsContact CZ-CG2 3.47Å; P215-I217 HydrophobicContact CB-CG2 4.27Å; P215-I217 HydrophobicContact CG-CD1 4.03Å; P215-I217 HydrophobicContact CG-CG1 4.09Å; P215-I217 PolarHBondContact O-N 2.86Å; I217-E222 HydrophobicContact CB-CG 4.17Å; I217-E222 HydrophobicContact CD1-CB 4.33Å; I217-E222 HydrophobicContact CD1-CG 4.11Å; I217-E222 HydrophobicContact CG2-CG 3.75Å; I217-L226 HydrophobicContact CD1-CD1 4.17Å
218L94.1Very high97Very high63 Ų6333.2 Ų33.233%0.3317%0.166SC..  trans-104-48.3175.1173.263.2000110.7K162 N220 D260K162-L218 HydrophobicContact CB-CB 4.13Å; K162-L218 HydrophobicContact CB-CD1 3.9Å; K162-L218 HydrophobicContact CD-CD1 4.45Å; L218-N220 PolarHBondContact O-N 3.31Å; L218-D260 HydrophobicContact CD1-CB 3.85Å; L218-D260 WeakPolarHBondContact CD1-OD1 3.44Å
219E95.6Very high97.1Very high129 Ų12935.7 Ų35.760%0.60318%0.18SC*.  trans-69.2119.2-176.5-65.6-61.8155.500111.9K221 E222E219-K221 PolarHBondContact O-N 3.44Å; E219-E222 HydrophobicContact CB-CB 4.23Å; E219-E222 WeakPolarHBondContact O-CB 3.36Å; E219-E222 PolarHBondContact O-N 3.19Å
220N95.9Very high97.3Very high5 Ų533.6 Ų33.63%0.02717%0.168CC..Hα-helixtrans-59.8-32177.2-58.3-69000112.3L163 M165 F168 L218 E222 G223 L224 F283L163-N220 HydrophobicContact CD1-CB 4.38Å; L163-N220 VanDerWaalsContact CD1-OD1 3.3Å; L163-N220 WeakPolarHBondContact CD1-OD1 3.48Å; M165-N220 VanDerWaalsContact CB-OD1 3.32Å; M165-N220 WeakPolarHBondContact CB-OD1 3.47Å; M165-N220 HydrophobicContact CE-CB 3.98Å; M165-N220 HydrophobicContact CG-CB 4.32Å; M165-N220 WeakPolarHBondContact CG-OD1 3.12Å; M165-N220 PolarHBondContact N-OD1 3.17Å; M165-N220 HydrophobicContact SD-CB 3.61Å; F168-N220 WeakPolarHBondContact CE1-O 3.31Å; F168-N220 HydrophobicContact CZ-CB 4.07Å; L218-N220 PolarHBondContact O-N 3.31Å; N220-E222 VanDerWaalsContact C-N 3.27Å; N220-E222 PolarHBondContact O-N 2.87Å; N220-G223 PolarHBondContact O-N 3.15Å; N220-G223 VanDerWaalsContact O-N 3.12Å; N220-L224 PolarHBondContact O-N 2.86Å; N220-F283 HydrophobicContact CB-CE2 4.11Å; N220-F283 HydrophobicContact CB-CZ 3.95Å
221K97.1Very high97.4Very high89 Ų8933.8 Ų33.839%0.38717%0.169SC..Hα-helixtrans-59.9-35.6174.8-171.1172.5-177.3164.80112.7E219 G223 L224 E225 F283 D286 Y287E219-K221 PolarHBondContact O-N 3.44Å; K221-G223 VanDerWaalsContact C-N 3.3Å; K221-G223 PolarHBondContact O-N 3.27Å; K221-L224 PolarHBondContact O-N 3.22Å; K221-E225 PolarHBondContact O-N 3.27Å; K221-F283 HydrophobicContact CB-CE1 4.07Å; K221-D286 IonicContact NZ-OD2 3.77Å; K221-Y287 WeakPolarHBondContact CE-OH 3.35Å; K221-Y287 HydrophobicContact CG-CE2 4.14Å; K221-Y287 WeakPolarHBondContact CG-OH 3.17Å
222E97.6Very high97.4Very high37 Ų3735.5 Ų35.517%0.17319%0.187CC..Hα-helixtrans-64.9-36.4176.8174.958.3-143.800111.2K199 Y200 I217 E219 N220 L224 E225 L226K199-E222 WeakPolarHBondContact CE-OE1 3.38Å; K199-E222 IonicContact NZ-OE1 3.67Å; K199-E222 PolarHBondContact NZ-OE1 2.89Å; K199-E222 IonicContact NZ-OE2 3.73Å; K199-E222 PolarHBondContact NZ-OE2 3.45Å; Y200-E222 WeakPolarHBondContact OH-CG 3.44Å; Y200-E222 PolarHBondContact OH-OE1 2.96Å; I217-E222 HydrophobicContact CB-CG 4.17Å; I217-E222 HydrophobicContact CD1-CB 4.33Å; I217-E222 HydrophobicContact CD1-CG 4.11Å; I217-E222 HydrophobicContact CG2-CG 3.75Å; E219-E222 HydrophobicContact CB-CB 4.23Å; E219-E222 WeakPolarHBondContact O-CB 3.36Å; E219-E222 PolarHBondContact O-N 3.19Å; N220-E222 VanDerWaalsContact C-N 3.27Å; N220-E222 PolarHBondContact O-N 2.87Å; E222-L224 VanDerWaalsContact C-N 3.31Å; E222-L224 PolarHBondContact O-N 3.47Å; E222-E225 PolarHBondContact O-N 3.26Å; E222-L226 HydrophobicContact CG-CD1 4.44Å; E222-L226 VanDerWaalsContact O-CG 3.31Å; E222-L226 WeakPolarHBondContact O-CG 3.31Å; E222-L226 PolarHBondContact O-N 2.86Å; E222-L226 WeakPolarHBondContact OE1-CG 3.39Å
223G97.9Very high97.4Very high0 Ų040.8 Ų40.80%021%0.21CC..Hα-helixtrans-57-45.2171.800000112N220 K221 L226 L227N220-G223 PolarHBondContact O-N 3.15Å; N220-G223 VanDerWaalsContact O-N 3.12Å; K221-G223 VanDerWaalsContact C-N 3.3Å; K221-G223 PolarHBondContact O-N 3.27Å; G223-L226 PolarHBondContact O-N 2.93Å; G223-L227 WeakPolarHBondContact O-CG 3.28Å; G223-L227 PolarHBondContact O-N 3.46Å; G223-L227 VanDerWaalsContact O-N 3.12Å
224L98.6Very high97.4Very high0 Ų041.6 Ų41.60%022%0.217CC..Hα-helixtrans-67-38177.4-64.1172.4000113F168 N220 K221 E222 L227 K228 I242 M244 F283 Y287 V289F168-L224 HydrophobicContact CD1-CD2 3.96Å; F168-L224 HydrophobicContact CD1-CG 4.22Å; F168-L224 HydrophobicContact CE1-CD2 4.3Å; F168-L224 HydrophobicContact CE1-CG 4.12Å; N220-L224 PolarHBondContact O-N 2.86Å; K221-L224 PolarHBondContact O-N 3.22Å; E222-L224 VanDerWaalsContact C-N 3.31Å; E222-L224 PolarHBondContact O-N 3.47Å; L224-L227 PolarHBondContact O-N 3.44Å; L224-K228 WeakPolarHBondContact O-CB 3.38Å; L224-K228 PolarHBondContact O-N 3.32Å; L224-I242 HydrophobicContact CD2-CD1 4.16Å; L224-I242 HydrophobicContact CD2-CG2 3.78Å; L224-M244 HydrophobicContact CD1-SD 4.26Å; L224-M244 HydrophobicContact CD2-CG 4.49Å; L224-M244 HydrophobicContact CD2-SD 3.98Å; L224-F283 HydrophobicContact CD1-CB 3.75Å; L224-F283 HydrophobicContact CD1-CD1 3.71Å; L224-F283 HydrophobicContact CD1-CD2 3.76Å; L224-F283 HydrophobicContact CD1-CE1 4.22Å; L224-F283 HydrophobicContact CD1-CE2 4.25Å; L224-F283 HydrophobicContact CD1-CG 3.47Å; L224-F283 VanDerWaalsContact CD1-CG 3.47Å; L224-F283 HydrophobicContact CD1-CZ 4.47Å; L224-Y287 HydrophobicContact CB-CD1 3.75Å; L224-Y287 HydrophobicContact CB-CD2 3.93Å; L224-Y287 HydrophobicContact CB-CE1 3.74Å; L224-Y287 HydrophobicContact CB-CE2 3.91Å; L224-Y287 HydrophobicContact CB-CG 3.86Å; L224-Y287 HydrophobicContact CD1-CD2 3.55Å; L224-Y287 HydrophobicContact CD1-CE2 3.81Å; L224-Y287 HydrophobicContact CD1-CG 4.1Å; L224-Y287 HydrophobicContact CG-CD2 4.31Å; L224-Y287 HydrophobicContact CG-CG 4.44Å; L224-V289 HydrophobicContact CD2-CG2 4.05Å
225E98.4Very high97.5Very high61 Ų6143 Ų4329%0.28523%0.234SC..Hα-helixtrans-65.5-38.7174.8-74.3-59157.200113K221 E222 K228 T229 Y287K221-E225 PolarHBondContact O-N 3.27Å; E222-E225 PolarHBondContact O-N 3.26Å; E225-K228 PolarHBondContact O-N 2.91Å; E225-T229 WeakPolarHBondContact O-CB 3.37Å; E225-T229 PolarHBondContact O-N 2.85Å; E225-T229 PolarHBondContact O-OG1 3.41Å; E225-Y287 VanDerWaalsContact CD-OH 3.28Å; E225-Y287 HydrophobicContact CG-CE1 4.16Å; E225-Y287 WeakPolarHBondContact CG-OH 3.43Å; E225-Y287 WeakPolarHBondContact OE1-CE1 3.1Å; E225-Y287 VanDerWaalsContact OE1-CZ 3.24Å; E225-Y287 PolarHBondContact OE1-OH 2.93Å
226L98.5Very high97.5Very high3 Ų344.2 Ų44.22%0.01624%0.239CC..Hα-helixtrans-61.4-45.6173.3-70.5169.7000111I153 L192 V195 I196 K199 Y200 P215 I217 E222 G223 T229 A230I153-L226 HydrophobicContact CD1-CB 4.05Å; I153-L226 HydrophobicContact CD1-CD1 4.24Å; L192-L226 HydrophobicContact CD1-CB 3.98Å; V195-L226 HydrophobicContact CG1-CD2 3.71Å; I196-L226 HydrophobicContact CG1-CD1 4.16Å; I196-L226 HydrophobicContact CG1-CD2 4.26Å; K199-L226 HydrophobicContact CD-CD2 4.28Å; Y200-L226 HydrophobicContact CE2-CD1 4.08Å; Y200-L226 HydrophobicContact CE2-CD2 4.11Å; P215-L226 HydrophobicContact CG-CD1 4.35Å; I217-L226 HydrophobicContact CD1-CD1 4.17Å; E222-L226 HydrophobicContact CG-CD1 4.44Å; E222-L226 VanDerWaalsContact O-CG 3.31Å; E222-L226 WeakPolarHBondContact O-CG 3.31Å; E222-L226 PolarHBondContact O-N 2.86Å; E222-L226 WeakPolarHBondContact OE1-CG 3.39Å; G223-L226 PolarHBondContact O-N 2.93Å; L226-T229 PolarHBondContact O-N 3.27Å; L226-A230 WeakPolarHBondContact O-CB 3.33Å; L226-A230 PolarHBondContact O-N 2.89Å
227L98.6Very high97.8Very high0 Ų043.5 Ų43.50%024%0.239CC..Hα-helixtrans-62.3-48176-67.2-165.3000112.1V152 I153 F168 I170 L192 G223 L224 T229 A230 I231 I242V152-L227 HydrophobicContact CG2-CD1 4.41Å; V152-L227 HydrophobicContact CG2-CD2 3.45Å; V152-L227 VanDerWaalsContact CG2-CD2 3.45Å; I153-L227 HydrophobicContact CD1-CD2 3.73Å; I153-L227 HydrophobicContact CD1-CG 4.06Å; I153-L227 HydrophobicContact CG1-CD2 4Å; F168-L227 HydrophobicContact CB-CD1 3.8Å; I170-L227 HydrophobicContact CG2-CD1 4.16Å; I170-L227 HydrophobicContact CG2-CD2 4.33Å; L192-L227 HydrophobicContact CD1-CD2 4.13Å; L192-L227 HydrophobicContact CD2-CD2 3.71Å; G223-L227 WeakPolarHBondContact O-CG 3.28Å; G223-L227 PolarHBondContact O-N 3.46Å; G223-L227 VanDerWaalsContact O-N 3.12Å; L224-L227 PolarHBondContact O-N 3.44Å; L227-T229 VanDerWaalsContact C-N 3.27Å; L227-T229 PolarHBondContact O-N 3.17Å; L227-A230 PolarHBondContact O-N 2.78Å; L227-I231 HydrophobicContact CB-CD1 4.49Å; L227-I231 WeakPolarHBondContact O-CB 3.36Å; L227-I231 WeakPolarHBondContact O-CD1 2.89Å; L227-I231 WeakPolarHBondContact O-CG1 3.5Å; L227-I231 PolarHBondContact O-N 3.39Å; L227-I242 HydrophobicContact CB-CD1 3.89Å; L227-I242 HydrophobicContact CD1-CD1 4.08Å; L227-I242 HydrophobicContact CD1-CG1 4.18Å; L227-I242 HydrophobicContact CD1-CG2 4.15Å
228K98.4Very high97.9Very high104 Ų10448.4 Ų48.445%0.45227%0.265SS..Hα-helixtrans-55.7-44.6178179.1179176.2-178.30111.4L224 E225 G232 Y287L224-K228 WeakPolarHBondContact O-CB 3.38Å; L224-K228 PolarHBondContact O-N 3.32Å; E225-K228 PolarHBondContact O-N 2.91Å; K228-G232 PolarHBondContact O-N 3.18Å; K228-Y287 HydrophobicContact CB-CD1 4.48Å; K228-Y287 HydrophobicContact CD-CD1 4.16Å; K228-Y287 HydrophobicContact CD-CE1 4.13Å
229T98.5Very high98.1Very high59 Ų5947.8 Ų47.836%0.36226%0.26SS..Hα-helixtrans-66.5-44.2177.9-61.40000111.6V195 E225 L226 L227 G232 K233V195-T229 HydrophobicContact CG1-CG2 4.02Å; V195-T229 HydrophobicContact CG2-CG2 3.94Å; E225-T229 WeakPolarHBondContact O-CB 3.37Å; E225-T229 PolarHBondContact O-N 2.85Å; E225-T229 PolarHBondContact O-OG1 3.41Å; L226-T229 PolarHBondContact O-N 3.27Å; L227-T229 VanDerWaalsContact C-N 3.27Å; L227-T229 PolarHBondContact O-N 3.17Å; T229-G232 PolarHBondContact O-N 3.45Å; T229-K233 HydrophobicContact CG2-CD 4.45Å; T229-K233 HydrophobicContact CG2-CG 4.48Å; T229-K233 WeakPolarHBondContact O-CB 3.44Å; T229-K233 WeakPolarHBondContact O-CG 3.4Å; T229-K233 PolarHBondContact O-N 2.9Å
230A98.8Very high98.3Very high0 Ų041.8 Ų41.80%023%0.232CC..Hα-helixtrans-64.6-43.5178.900000112.6V188 L192 L226 L227 G232 K233 A234V188-A230 HydrophobicContact CG1-CB 4.31Å; L192-A230 HydrophobicContact CB-CB 3.65Å; L192-A230 HydrophobicContact CD1-CB 3.89Å; L192-A230 HydrophobicContact CG-CB 4.36Å; L226-A230 WeakPolarHBondContact O-CB 3.33Å; L226-A230 PolarHBondContact O-N 2.89Å; L227-A230 PolarHBondContact O-N 2.78Å; A230-G232 VanDerWaalsContact C-N 3.34Å; A230-K233 PolarHBondContact O-N 3.38Å; A230-A234 WeakPolarHBondContact O-CB 3.25Å; A230-A234 PolarHBondContact O-N 2.75Å
231I98.8Very high98.4Very high6 Ų642.4 Ų42.43%0.03124%0.236CC..Hα-helixtrans-60.7-44.9175-67.8163.6000110.3I170 V188 L227 A234 G235 Y236 V240 I242I170-I231 HydrophobicContact CG2-CD1 4.14Å; I170-I231 HydrophobicContact CG2-CG1 4.45Å; V188-I231 HydrophobicContact CG1-CG1 3.78Å; V188-I231 HydrophobicContact CG2-CG1 4.45Å; L227-I231 HydrophobicContact CB-CD1 4.49Å; L227-I231 WeakPolarHBondContact O-CB 3.36Å; L227-I231 WeakPolarHBondContact O-CD1 2.89Å; L227-I231 WeakPolarHBondContact O-CG1 3.5Å; L227-I231 PolarHBondContact O-N 3.39Å; I231-A234 PolarHBondContact O-N 3Å; I231-G235 PolarHBondContact O-N 2.84Å; I231-G235 VanDerWaalsContact O-N 3.15Å; I231-Y236 PolarHBondContact O-N 2.77Å; I231-Y236 VanDerWaalsContact O-N 3.16Å; I231-V240 HydrophobicContact CD1-CB 4.31Å; I231-V240 HydrophobicContact CD1-CG1 3.68Å; I231-V240 HydrophobicContact CG1-CB 4.3Å; I231-V240 HydrophobicContact CG1-CG1 3.89Å; I231-V240 HydrophobicContact CG2-CB 4.04Å; I231-I242 HydrophobicContact CD1-CD1 4.4Å; I231-I242 HydrophobicContact CD1-CG1 4.23Å
232G98.6Very high98.5Very high37 Ų3738.2 Ų38.238%0.38122%0.218SC..Hα-helixtrans-62.4-47.7176.500000112.9K228 T229 A230 A234 G235K228-G232 PolarHBondContact O-N 3.18Å; T229-G232 PolarHBondContact O-N 3.45Å; A230-G232 VanDerWaalsContact C-N 3.34Å; G232-A234 VanDerWaalsContact C-N 3.27Å; G232-A234 PolarHBondContact O-N 2.51Å; G232-G235 PolarHBondContact O-N 3.32Å
233K98.5Very high98.6Very high110 Ų11036.4 Ų36.448%0.47821%0.21SC..Hα-helixtrans-62-33.5176.7-76.7-169.9179.8-175.90112.4V195 E198 T229 A230 G235V195-K233 HydrophobicContact CG2-CD 3.73Å; E198-K233 IonicContact OE2-NZ 2.7Å; E198-K233 PolarHBondContact OE2-NZ 2.99Å; T229-K233 HydrophobicContact CG2-CD 4.45Å; T229-K233 HydrophobicContact CG2-CG 4.48Å; T229-K233 WeakPolarHBondContact O-CB 3.44Å; T229-K233 WeakPolarHBondContact O-CG 3.4Å; T229-K233 PolarHBondContact O-N 2.9Å; A230-K233 PolarHBondContact O-N 3.38Å; K233-G235 VanDerWaalsContact C-N 3.29Å
234A98.6Very high98.6Very high19 Ų1936.4 Ų36.416%0.15721%0.21CC..Hα-helixtrans-77.2-12.8175.800000113.7V188 N191 A230 I231 G232 Y236V188-A234 HydrophobicContact CG2-CB 3.8Å; N191-A234 HydrophobicContact CB-CB 4.4Å; A230-A234 WeakPolarHBondContact O-CB 3.25Å; A230-A234 PolarHBondContact O-N 2.75Å; I231-A234 PolarHBondContact O-N 3Å; G232-A234 VanDerWaalsContact C-N 3.27Å; G232-A234 PolarHBondContact O-N 2.51Å; A234-Y236 HydrophobicContact CB-CD2 3.73Å; A234-Y236 HydrophobicContact CB-CE2 4.18Å; A234-Y236 WeakPolarHBondContact O-CD2 3.29Å; A234-Y236 WeakPolarHBondContact O-CE2 3.25Å
235G98.6Very high98.6Very high54 Ų5436.4 Ų36.456%0.55721%0.21SC*.THydrogen-bonded Turntrans80.126.9178.200000114.9I231 G232 K233I231-G235 PolarHBondContact O-N 2.84Å; I231-G235 VanDerWaalsContact O-N 3.15Å; G232-G235 PolarHBondContact O-N 3.32Å; K233-G235 VanDerWaalsContact C-N 3.29Å
236Y98.7Very high98.6Very high25 Ų2533.6 Ų33.610%0.09820%0.196CC..  trans-121.125.8-173.5-62.6-57.7000115.1R183 I184 E187 V188 I231 A234 D238 K239 V240R183-Y236 PolarHBondContact NH1-OH 3.34Å; R183-Y236 PolarHBondContact NH2-OH 2.87Å; I184-Y236 HydrophobicContact CB-CD2 4.41Å; I184-Y236 HydrophobicContact CB-CE2 4.37Å; I184-Y236 HydrophobicContact CD1-CD1 4.22Å; I184-Y236 HydrophobicContact CD1-CE1 4.21Å; I184-Y236 HydrophobicContact CG1-CD1 4.02Å; I184-Y236 HydrophobicContact CG1-CD2 4.36Å; I184-Y236 HydrophobicContact CG1-CE1 3.76Å; I184-Y236 HydrophobicContact CG1-CE2 4.12Å; I184-Y236 HydrophobicContact CG1-CG 4.32Å; I184-Y236 HydrophobicContact CG2-CD1 4.32Å; I184-Y236 HydrophobicContact CG2-CD2 3.78Å; I184-Y236 HydrophobicContact CG2-CE2 4.24Å; I184-Y236 HydrophobicContact CG2-CG 3.83Å; E187-Y236 HydrophobicContact CB-CE2 4.09Å; E187-Y236 WeakPolarHBondContact OE2-CE2 3.25Å; E187-Y236 VanDerWaalsContact OE2-CZ 3.23Å; E187-Y236 PolarHBondContact OE2-OH 3.24Å; V188-Y236 HydrophobicContact CG2-CD2 3.99Å; I231-Y236 PolarHBondContact O-N 2.77Å; I231-Y236 VanDerWaalsContact O-N 3.16Å; A234-Y236 HydrophobicContact CB-CD2 3.73Å; A234-Y236 HydrophobicContact CB-CE2 4.18Å; A234-Y236 WeakPolarHBondContact O-CD2 3.29Å; A234-Y236 WeakPolarHBondContact O-CE2 3.25Å; Y236-D238 PolarHBondContact O-N 2.78Å; Y236-K239 HydrophobicContact CD1-CD 4.19Å; Y236-K239 PolarHBondContact O-N 3.28Å; Y236-V240 PolarHBondContact O-N 2.95Å
237T98.4Very high98.6Very high105 Ų10533.6 Ų33.664%0.64420%0.197SC*.THydrogen-bonded Turntrans-56.9-31.2-177.6-50.60000113.8
238D97.9Very high98.6Very high110 Ų11033.6 Ų33.659%0.58820%0.197SC*.THydrogen-bonded Turntrans-84.1-18178.266.5-43.5000113.5Y236 R426Y236-D238 PolarHBondContact O-N 2.78Å; D238-R426 PolarHBondContact O-NH2 3.07Å
239K98.7Very high98.5Very high50 Ų5029.3 Ų29.322%0.21718%0.18CC..THydrogen-bonded Turntrans-105.1-24.8-173.9-69.1-170.7174.1-178.60114.6P172 V173 G174 E180 I184 Y236P172-K239 CarbonylContact C-O 3.58Å; P172-K239 WeakPolarHBondContact CA-O 3.37Å; V173-K239 PolarHBondContact N-O 3.13Å; V173-K239 VanDerWaalsContact N-O 3.1Å; G174-K239 PolarHBondContact N-O 2.54Å; E180-K239 IonicContact OE1-NZ 3.74Å; E180-K239 PolarHBondContact OE1-NZ 3.38Å; I184-K239 HydrophobicContact CD1-CB 4.44Å; I184-K239 HydrophobicContact CD1-CD 3.77Å; Y236-K239 HydrophobicContact CD1-CD 4.19Å; Y236-K239 PolarHBondContact O-N 3.28Å
240V98.9Very high98.4Very high3 Ų329 Ų292%0.01817%0.174CC..  trans-111.8129.4-173-179.90000111.1I170 L171 P172 I184 V188 I231 Y236I170-V240 HydrophobicContact CB-CG1 3.75Å; I170-V240 HydrophobicContact CG2-CG1 4.13Å; L171-V240 WeakPolarHBondContact O-CA 3.41Å; P172-V240 HydrophobicContact CB-CG2 4.3Å; I184-V240 HydrophobicContact CG2-CG2 3.39Å; V188-V240 HydrophobicContact CG2-CG2 4.42Å; I231-V240 HydrophobicContact CD1-CB 4.31Å; I231-V240 HydrophobicContact CD1-CG1 3.68Å; I231-V240 HydrophobicContact CG1-CB 4.3Å; I231-V240 HydrophobicContact CG1-CG1 3.89Å; I231-V240 HydrophobicContact CG2-CB 4.04Å; Y236-V240 PolarHBondContact O-N 2.95Å
241V98.8Very high98.3Very high19 Ų1929 Ų2912%0.11517%0.174CC..EExtended strand (participates in β ladder)trans-114.5170170.9-61.70000109.8L171 V173 P288 V290L171-V241 HydrophobicContact CB-CG2 3.79Å; L171-V241 PolarHBondContact N-O 3.41Å; L171-V241 PolarHBondContact O-N 2.89Å; V173-V241 HydrophobicContact CB-CG2 4.35Å; V173-V241 HydrophobicContact CG1-CG2 3.63Å; V173-V241 HydrophobicContact CG2-CB 4.42Å; V173-V241 HydrophobicContact CG2-CG1 3.85Å; V173-V241 HydrophobicContact CG2-CG2 3.74Å; V241-P288 WeakPolarHBondContact CB-O 3.48Å; V241-P288 HydrophobicContact CG1-CB 4.42Å; V241-V290 HydrophobicContact CB-CG1 3.91Å; V241-V290 HydrophobicContact CB-CG2 3.89Å; V241-V290 HydrophobicContact CG1-CG1 4.06Å; V241-V290 HydrophobicContact CG2-CB 4.43Å; V241-V290 HydrophobicContact CG2-CG1 4.19Å; V241-V290 HydrophobicContact CG2-CG2 3.38Å
242I98.9Very high98.3Very high0 Ų031.2 Ų31.20%018%0.184CC..EExtended strand (participates in β ladder)trans-110140.4-176-64.7173.6000110.4M169 L224 L227 I231 M244 P288 V289 V290M169-I242 VanDerWaalsContact O-CA 3.31Å; M169-I242 WeakPolarHBondContact O-CA 3.21Å; L224-I242 HydrophobicContact CD2-CD1 4.16Å; L224-I242 HydrophobicContact CD2-CG2 3.78Å; L227-I242 HydrophobicContact CB-CD1 3.89Å; L227-I242 HydrophobicContact CD1-CD1 4.08Å; L227-I242 HydrophobicContact CD1-CG1 4.18Å; L227-I242 HydrophobicContact CD1-CG2 4.15Å; I231-I242 HydrophobicContact CD1-CD1 4.4Å; I231-I242 HydrophobicContact CD1-CG1 4.23Å; I242-M244 HydrophobicContact CG2-CG 4.31Å; I242-P288 HydrophobicContact CD1-CG 4.28Å; I242-P288 HydrophobicContact CG1-CG 4.32Å; I242-P288 PolarHBondContact N-O 3.38Å; I242-V289 HydrophobicContact CB-CG2 4.08Å; I242-V289 HydrophobicContact CG2-CG2 3.93Å; I242-V289 CarbonylContact O-C 3.57Å; I242-V289 WeakPolarHBondContact O-CA 3.35Å; I242-V290 PolarHBondContact O-N 3.48Å
243G98.8Very high98.2Very high0 Ų033.4 Ų33.40%018%0.181CC..EExtended strand (participates in β ladder)trans-117.5157.2164.900000109.8M169 L171 S291M169-G243 WeakPolarHBondContact CA-O 3.18Å; M169-G243 PolarHBondContact N-O 3.49Å; M169-G243 PolarHBondContact O-N 3.35Å; L171-G243 VanDerWaalsContact CD1-N 3.33Å; G243-S291 CarbonylContact C-O 3.58Å; G243-S291 VanDerWaalsContact CA-O 3.28Å; G243-S291 WeakPolarHBondContact CA-O 3.45Å
244M98.8Very high98Very high0 Ų034 Ų340%020%0.199CC..EExtended strand (participates in β ladder)trans-134.9140.7175.8-59175.565.100109.4M165 E167 F168 L224 I242 F283 V289 S291 I292 E293M165-M244 HydrophobicContact SD-CE 3.3Å; M165-M244 WeakPolarHBondContact SD-CE 3.36Å; E167-M244 VanDerWaalsContact O-CA 3.31Å; E167-M244 WeakPolarHBondContact O-CA 3.46Å; F168-M244 HydrophobicContact CD1-CE 4.21Å; F168-M244 HydrophobicContact CE1-CE 3.69Å; F168-M244 HydrophobicContact CZ-CE 4.19Å; L224-M244 HydrophobicContact CD1-SD 4.26Å; L224-M244 HydrophobicContact CD2-CG 4.49Å; L224-M244 HydrophobicContact CD2-SD 3.98Å; I242-M244 HydrophobicContact CG2-CG 4.31Å; M244-F283 HydrophobicContact CE-CD2 3.94Å; M244-F283 HydrophobicContact CE-CE2 4.06Å; M244-F283 HydrophobicContact SD-CD2 4.04Å; M244-V289 HydrophobicContact SD-CG1 4.31Å; M244-V289 HydrophobicContact SD-CG2 4.18Å; M244-S291 PolarHBondContact N-O 3.15Å; M244-I292 HydrophobicContact CB-CG1 4.42Å; M244-I292 CarbonylContact O-C 3.57Å; M244-I292 WeakPolarHBondContact O-CA 3.48Å; M244-E293 PolarHBondContact O-N 3.39Å
245D98.6Very high98Very high0 Ų035 Ų350%021%0.211CC..EExtended strand (participates in β ladder)trans-111.1118.6156.6166.528.6000107.8Q166 E167 M169 A247 E293 K394Q166-D245 PolarHBondContact N-O 3.19Å; Q166-D245 PolarHBondContact NE2-OD2 3.47Å; E167-D245 HydrophobicContact CB-CB 3.8Å; E167-D245 HydrophobicContact CG-CB 3.69Å; E167-D245 PolarHBondContact N-O 2.82Å; E167-D245 PolarHBondContact O-N 3.47Å; E167-D245 WeakPolarHBondContact OE2-CB 3.38Å; M169-D245 HydrophobicContact CE-CB 4.19Å; D245-A247 PolarHBondContact OD1-N 2.78Å; D245-E293 HydrophobicContact CB-CB 3.93Å; D245-E293 HydrophobicContact CB-CG 4.2Å; D245-K394 IonicContact OD2-NZ 2.65Å
246V98.5Very high97.9Very high1 Ų137 Ų371%0.00620%0.204CC..  trans-83-38-178172.60000109.9M165 A248 F251 Y280 I292 E293 D294M165-V246 HydrophobicContact CG-CB 4.48Å; M165-V246 HydrophobicContact CG-CG1 4.17Å; M165-V246 HydrophobicContact CG-CG2 4.32Å; M165-V246 HydrophobicContact SD-CG2 4.23Å; V246-A248 HydrophobicContact CG1-CB 3.79Å; V246-F251 HydrophobicContact CG1-CE1 3.86Å; V246-F251 HydrophobicContact CG1-CZ 3.41Å; V246-F251 VanDerWaalsContact CG1-CZ 3.41Å; V246-F251 WeakPolarHBondContact O-CE1 3.38Å; V246-Y280 HydrophobicContact CG1-CE1 4.45Å; V246-Y280 WeakPolarHBondContact CG1-OH 3.09Å; V246-Y280 HydrophobicContact CG2-CE1 3.7Å; V246-I292 HydrophobicContact CG2-CG2 3.85Å; V246-E293 WeakPolarHBondContact CB-O 3.4Å; V246-E293 PolarHBondContact N-O 2.88Å; V246-D294 WeakPolarHBondContact CB-O 3.43Å
247A97.6Very high97.9Very high3 Ų335.8 Ų35.83%0.02520%0.199CC..  trans49.850.7-168.700000112.9Q166 D245 S249 E250Q166-A247 HydrophobicContact CB-CB 3.84Å; Q166-A247 HydrophobicContact CG-CB 4.39Å; D245-A247 PolarHBondContact OD1-N 2.78Å; A247-S249 PolarHBondContact O-N 3.04Å; A247-S249 VanDerWaalsContact O-N 3.08Å; A247-E250 HydrophobicContact CB-CG 4.18Å; A247-E250 WeakPolarHBondContact O-CB 3.34Å; A247-E250 PolarHBondContact O-N 2.82Å
248A98.3Very high97.9Very high0 Ų030.8 Ų30.80%017%0.169CC..G310 helixtrans-61.4-23.4-168.800000115V246 E250 F251 F252 Y257 D294V246-A248 HydrophobicContact CG1-CB 3.79Å; A248-E250 PolarHBondContact O-N 3.23Å; A248-F251 HydrophobicContact CB-CE1 4.4Å; A248-F251 HydrophobicContact CB-CE2 3.97Å; A248-F251 HydrophobicContact CB-CZ 3.8Å; A248-F251 CarbonylContact O-C 3.56Å; A248-F251 PolarHBondContact O-N 3.06Å; A248-F252 PolarHBondContact O-N 2.82Å; A248-Y257 HydrophobicContact CB-CD1 4.11Å; A248-Y257 HydrophobicContact CB-CE1 3.79Å; A248-D294 VanDerWaalsContact CB-O 3.22Å; A248-D294 WeakPolarHBondContact CB-O 3.48Å; A248-D294 PolarHBondContact N-O 3.31Å; A248-D294 VanDerWaalsContact N-O 3.1Å
249S97.7Very high97.9Very high14 Ų1427.3 Ų27.310%0.09815%0.15CC..G310 helixtrans-54.7-34.7172.6-51.30000112.1A247 F251 F252 Q298A247-S249 PolarHBondContact O-N 3.04Å; A247-S249 VanDerWaalsContact O-N 3.08Å; S249-F251 PolarHBondContact O-N 3.35Å; S249-F252 PolarHBondContact O-N 3.22Å; S249-Q298 PolarHBondContact OG-N 3.09Å; S249-Q298 VanDerWaalsContact OG-N 3.12Å
250E96.3Very high97.8Very high53 Ų5326.1 Ų26.125%0.24815%0.146CC..G310 helixtrans-64.8-29.3-177.7-66.1-65.7100.700112.7S157 A247 A248 R253 F261S157-E250 PolarHBondContact OG-OE2 3.22Å; A247-E250 HydrophobicContact CB-CG 4.18Å; A247-E250 WeakPolarHBondContact O-CB 3.34Å; A247-E250 PolarHBondContact O-N 2.82Å; A248-E250 PolarHBondContact O-N 3.23Å; E250-R253 PolarHBondContact O-NH1 3.3Å; E250-R253 PolarHBondContact O-NH2 3.32Å; E250-F261 HydrophobicContact CB-CZ 4.44Å
251F97.2Very high97.7Very high0 Ų027.8 Ų27.80%015%0.153CC..G310 helixtrans-118.614.1-179.258.8-103.1000114A164 V246 A248 S249 R253 Y257 D258 L259 F261 L276A164-F251 HydrophobicContact CB-CD1 4.37Å; A164-F251 HydrophobicContact CB-CE1 4.49Å; V246-F251 HydrophobicContact CG1-CE1 3.86Å; V246-F251 HydrophobicContact CG1-CZ 3.41Å; V246-F251 VanDerWaalsContact CG1-CZ 3.41Å; V246-F251 WeakPolarHBondContact O-CE1 3.38Å; A248-F251 HydrophobicContact CB-CE1 4.4Å; A248-F251 HydrophobicContact CB-CE2 3.97Å; A248-F251 HydrophobicContact CB-CZ 3.8Å; A248-F251 CarbonylContact O-C 3.56Å; A248-F251 PolarHBondContact O-N 3.06Å; S249-F251 PolarHBondContact O-N 3.35Å; F251-R253 PolarHBondContact O-N 2.96Å; F251-Y257 AromaticContact CD2-CD1 3.79Å; F251-Y257 HydrophobicContact CD2-CD1 3.79Å; F251-Y257 HydrophobicContact CD2-CG 4.31Å; F251-Y257 AromaticContact CE2-CD1 3.64Å; F251-Y257 HydrophobicContact CE2-CD1 3.64Å; F251-Y257 HydrophobicContact CE2-CG 4.14Å; F251-D258 VanDerWaalsContact CB-O 3.23Å; F251-D258 WeakPolarHBondContact CB-O 3.26Å; F251-D258 PolarHBondContact O-N 2.74Å; F251-L259 HydrophobicContact CD2-CD2 4.35Å; F251-L259 HydrophobicContact CE2-CD2 3.82Å; F251-L259 HydrophobicContact CZ-CD2 4Å; F251-F261 HydrophobicContact CB-CB 3.75Å; F251-F261 HydrophobicContact CB-CD1 3.6Å; F251-F261 HydrophobicContact CB-CE1 4.32Å; F251-F261 HydrophobicContact CB-CG 3.75Å; F251-F261 HydrophobicContact CD1-CD1 4.26Å; F251-F261 HydrophobicContact CD1-CE1 4.3Å; F251-F261 HydrophobicContact CG-CD1 4.35Å; F251-L276 HydrophobicContact CE2-CD2 4.33Å
252F97.9Very high97.5Very high53 Ų5330.1 Ų30.123%0.23216%0.161CC..EExtended strand (participates in β ladder)trans-73.6124.7170.3-175.4-116000110.3A248 S249 G255 K256 Y257 D297A248-F252 PolarHBondContact O-N 2.82Å; S249-F252 PolarHBondContact O-N 3.22Å; F252-G255 VanDerWaalsContact CZ-CA 3.48Å; F252-K256 CarbonylContact C-O 3.59Å; F252-K256 WeakPolarHBondContact CA-O 3.16Å; F252-K256 WeakPolarHBondContact CD2-O 3.26Å; F252-Y257 HydrophobicContact CB-CD1 4.29Å; F252-Y257 HydrophobicContact CB-CE1 4.09Å; F252-Y257 AromaticContact CD2-CD1 3.97Å; F252-Y257 HydrophobicContact CD2-CD1 3.97Å; F252-Y257 AromaticContact CD2-CE1 3.49Å; F252-Y257 HydrophobicContact CD2-CE1 3.49Å; F252-Y257 VanDerWaalsContact CD2-CE1 3.49Å; F252-Y257 HydrophobicContact CD2-CE2 4.16Å; F252-Y257 HydrophobicContact CD2-CG 4.49Å; F252-Y257 AromaticContact CD2-CZ 3.58Å; F252-Y257 HydrophobicContact CE2-CE1 4.33Å; F252-Y257 HydrophobicContact CE2-CE2 4.33Å; F252-Y257 AromaticContact CE2-CZ 3.96Å; F252-Y257 HydrophobicContact CG-CE1 4.21Å; F252-D297 HydrophobicContact CB-CB 3.82Å; F252-D297 HydrophobicContact CD1-CB 3.75Å; F252-D297 VanDerWaalsContact CD1-CG 3.46Å; F252-D297 HydrophobicContact CD2-CB 3.78Å; F252-D297 HydrophobicContact CE1-CB 4.17Å; F252-D297 HydrophobicContact CE2-CB 4.18Å; F252-D297 HydrophobicContact CG-CB 3.52Å; F252-D297 HydrophobicContact CZ-CB 4.35Å
253R97.1Very high97.4Very high83 Ų8331 Ų3131%0.31317%0.167SC..EExtended strand (participates in β ladder)trans-140.6117.8-176.5-60.3-65.6179.8-86.8-6.1109.1E250 F251 G255 K256 D258 Y270E250-R253 PolarHBondContact O-NH1 3.3Å; E250-R253 PolarHBondContact O-NH2 3.32Å; F251-R253 PolarHBondContact O-N 2.96Å; R253-G255 VanDerWaalsContact C-N 3.31Å; R253-G255 PolarHBondContact O-N 2.89Å; R253-K256 PolarHBondContact N-O 3.36Å; R253-K256 CarbonylContact O-C 3.19Å; R253-K256 PolarHBondContact O-N 3.45Å; R253-D258 HydrophobicContact CG-CB 4.32Å; R253-Y270 HydrophobicContact CB-CD2 4.14Å; R253-Y270 HydrophobicContact CB-CE1 4.47Å; R253-Y270 HydrophobicContact CB-CE2 3.4Å; R253-Y270 HydrophobicContact CG-CE2 4.26Å
254S94.4Very high97.2Very high122 Ų12236.6 Ų36.685%0.85320%0.204SC*.THydrogen-bonded Turntrans51.543.2171.3-56.20000114.4K256S254-K256 VanDerWaalsContact C-N 3.32Å; S254-K256 PolarHBondContact O-N 3.29Å
255G97.1Very high97.1Very high40 Ų4041.7 Ų41.741%0.41223%0.231SC..THydrogen-bonded Turntrans80.37.6-179.900000115.1F252 R253F252-G255 VanDerWaalsContact CZ-CA 3.48Å; R253-G255 VanDerWaalsContact C-N 3.31Å; R253-G255 PolarHBondContact O-N 2.89Å
256K98.5Very high97Very high95 Ų9545 Ų4541%0.41325%0.249SC..EExtended strand (participates in β ladder)trans-134.4179.9-179.8-64.1-172.9178.8-176.30110.7F252 R253 S254 Y270 I271F252-K256 CarbonylContact C-O 3.59Å; F252-K256 WeakPolarHBondContact CA-O 3.16Å; F252-K256 WeakPolarHBondContact CD2-O 3.26Å; R253-K256 PolarHBondContact N-O 3.36Å; R253-K256 CarbonylContact O-C 3.19Å; R253-K256 PolarHBondContact O-N 3.45Å; S254-K256 VanDerWaalsContact C-N 3.32Å; S254-K256 PolarHBondContact O-N 3.29Å; K256-Y270 HydrophobicContact CB-CD2 4.23Å; K256-Y270 HydrophobicContact CB-CG 4.46Å; K256-I271 WeakPolarHBondContact CA-O 3.36Å; K256-I271 WeakPolarHBondContact CB-O 3.43Å
257Y98.6Very high96.9Very high0 Ų048.7 Ų48.70%027%0.273CS..EExtended strand (participates in β ladder)trans-125.3131.9-175.4-63.4-83.3000112.1A248 F251 F252 Y270 I271 P273 L276 F296 D297 D300A248-Y257 HydrophobicContact CB-CD1 4.11Å; A248-Y257 HydrophobicContact CB-CE1 3.79Å; F251-Y257 AromaticContact CD2-CD1 3.79Å; F251-Y257 HydrophobicContact CD2-CD1 3.79Å; F251-Y257 HydrophobicContact CD2-CG 4.31Å; F251-Y257 AromaticContact CE2-CD1 3.64Å; F251-Y257 HydrophobicContact CE2-CD1 3.64Å; F251-Y257 HydrophobicContact CE2-CG 4.14Å; F252-Y257 HydrophobicContact CB-CD1 4.29Å; F252-Y257 HydrophobicContact CB-CE1 4.09Å; F252-Y257 AromaticContact CD2-CD1 3.97Å; F252-Y257 HydrophobicContact CD2-CD1 3.97Å; F252-Y257 AromaticContact CD2-CE1 3.49Å; F252-Y257 HydrophobicContact CD2-CE1 3.49Å; F252-Y257 VanDerWaalsContact CD2-CE1 3.49Å; F252-Y257 HydrophobicContact CD2-CE2 4.16Å; F252-Y257 HydrophobicContact CD2-CG 4.49Å; F252-Y257 AromaticContact CD2-CZ 3.58Å; F252-Y257 HydrophobicContact CE2-CE1 4.33Å; F252-Y257 HydrophobicContact CE2-CE2 4.33Å; F252-Y257 AromaticContact CE2-CZ 3.96Å; F252-Y257 HydrophobicContact CG-CE1 4.21Å; Y257-Y270 WeakPolarHBondContact O-CA 3.27Å; Y257-I271 PolarHBondContact N-O 3.34Å; Y257-I271 PolarHBondContact O-N 3.34Å; Y257-P273 HydrophobicContact CE2-CB 3.98Å; Y257-P273 HydrophobicContact CE2-CG 3.87Å; Y257-L276 HydrophobicContact CD1-CD2 3.78Å; Y257-L276 HydrophobicContact CD2-CB 4.39Å; Y257-L276 HydrophobicContact CD2-CD2 3.56Å; Y257-L276 HydrophobicContact CE1-CD2 4.16Å; Y257-L276 HydrophobicContact CE2-CD2 3.98Å; Y257-L276 HydrophobicContact CG-CD2 3.46Å; Y257-L276 VanDerWaalsContact CG-CD2 3.46Å; Y257-F296 HydrophobicContact CE2-CD1 4.01Å; Y257-F296 AromaticContact CZ-CD1 3.92Å; Y257-F296 WeakPolarHBondContact OH-CA 3.29Å; Y257-F296 WeakPolarHBondContact OH-CB 3.34Å; Y257-D297 HydrophobicContact CE1-CB 4.26Å; Y257-D297 PolarHBondContact OH-N 3.48Å; Y257-D300 WeakPolarHBondContact OH-CB 3.46Å; Y257-D300 PolarHBondContact OH-OD2 2.84Å
258D98.2Very high96.9Very high1 Ų153.4 Ų53.41%0.00531%0.306CS..  trans-104.496-179.9-174.93.3000112.5F251 R253 D260 F261 R269 Y270F251-D258 VanDerWaalsContact CB-O 3.23Å; F251-D258 WeakPolarHBondContact CB-O 3.26Å; F251-D258 PolarHBondContact O-N 2.74Å; R253-D258 HydrophobicContact CG-CB 4.32Å; D258-D260 PolarHBondContact O-N 2.88Å; D258-D260 PolarHBondContact OD1-N 2.62Å; D258-F261 HydrophobicContact CB-CB 4.16Å; D258-F261 PolarHBondContact O-N 3Å; D258-F261 PolarHBondContact OD1-N 2.69Å; D258-F261 WeakPolarHBondContact OD2-CA 3.41Å; D258-R269 VanDerWaalsContact CG-NE 3.35Å; D258-R269 IonicContact OD1-CZ 2.84Å; D258-R269 IonicContact OD1-NE 2.83Å; D258-R269 PolarHBondContact OD1-NE 3.17Å; D258-R269 IonicContact OD1-NH2 2.89Å; D258-R269 PolarHBondContact OD1-NH2 3.25Å; D258-R269 IonicContact OD2-CZ 3.69Å; D258-R269 IonicContact OD2-NE 3.88Å; D258-R269 PolarHBondContact OD2-NE 2.92Å; D258-R269 IonicContact OD2-NH2 3.31Å; D258-R269 PolarHBondContact OD2-NH2 3.12Å; D258-Y270 HydrophobicContact CB-CD1 3.69Å; D258-Y270 HydrophobicContact CB-CE1 3.57Å; D258-Y270 WeakPolarHBondContact OD2-CE1 3.42Å
259L97.7Very high96.8Very high36 Ų3656.3 Ų56.319%0.18832%0.317CS..THydrogen-bonded Turntrans-72.36.6179.3-61.3-176.8000114.8A164 M165 F251 I271 L276 L279A164-L259 HydrophobicContact CB-CB 4.38Å; A164-L259 HydrophobicContact CB-CD2 4.32Å; A164-L259 VanDerWaalsContact CB-O 3.22Å; A164-L259 WeakPolarHBondContact CB-O 3.37Å; M165-L259 HydrophobicContact CE-CD2 4.41Å; F251-L259 HydrophobicContact CD2-CD2 4.35Å; F251-L259 HydrophobicContact CE2-CD2 3.82Å; F251-L259 HydrophobicContact CZ-CD2 4Å; L259-I271 HydrophobicContact CD1-CD1 3.61Å; L259-I271 HydrophobicContact CG-CD1 4.03Å; L259-L276 HydrophobicContact CD1-CD1 4.5Å; L259-L276 HydrophobicContact CD2-CD1 4.11Å; L259-L279 HydrophobicContact CD1-CD2 3.69Å
260D96.8Very high96.8Very high25 Ų2556.7 Ų56.713%0.13432%0.316CS..THydrogen-bonded Turntrans-133.434171.4-171.323.6000111.1L218 D258 K262 S263 R269L218-D260 HydrophobicContact CD1-CB 3.85Å; L218-D260 WeakPolarHBondContact CD1-OD1 3.44Å; D258-D260 PolarHBondContact O-N 2.88Å; D258-D260 PolarHBondContact OD1-N 2.62Å; D260-K262 PolarHBondContact O-N 3.41Å; D260-S263 VanDerWaalsContact CG-CB 3.44Å; D260-S263 WeakPolarHBondContact O-CB 3.45Å; D260-S263 PolarHBondContact O-N 2.84Å; D260-S263 VanDerWaalsContact OD1-CB 3.27Å; D260-S263 WeakPolarHBondContact OD1-CB 3.49Å; D260-S263 PolarHBondContact OD1-OG 3.2Å; D260-S263 VanDerWaalsContact OD2-CB 3.24Å; D260-S263 WeakPolarHBondContact OD2-CB 3.19Å; D260-S263 PolarHBondContact OD2-OG 3.13Å; D260-S263 VanDerWaalsContact OD2-OG 3.07Å; D260-R269 VanDerWaalsContact O-CZ 3.24Å; D260-R269 PolarHBondContact O-NH1 2.95Å; D260-R269 PolarHBondContact O-NH2 2.9Å; D260-R269 IonicContact OD2-CZ 2.68Å; D260-R269 IonicContact OD2-NH1 3.39Å; D260-R269 PolarHBondContact OD2-NH1 3.41Å; D260-R269 VanDerWaalsContact OD2-NH1 3.12Å
261F96.3Very high96.9Very high38 Ų3855.9 Ų55.917%0.16731%0.313CS..THydrogen-bonded Turntrans-56.7-14.6-174.780.8-83.9000116.2A164 E250 F251 D258A164-F261 HydrophobicContact CB-CD1 4.06Å; A164-F261 HydrophobicContact CB-CE1 4.19Å; E250-F261 HydrophobicContact CB-CZ 4.44Å; F251-F261 HydrophobicContact CB-CB 3.75Å; F251-F261 HydrophobicContact CB-CD1 3.6Å; F251-F261 HydrophobicContact CB-CE1 4.32Å; F251-F261 HydrophobicContact CB-CG 3.75Å; F251-F261 HydrophobicContact CD1-CD1 4.26Å; F251-F261 HydrophobicContact CD1-CE1 4.3Å; F251-F261 HydrophobicContact CG-CD1 4.35Å; D258-F261 HydrophobicContact CB-CB 4.16Å; D258-F261 PolarHBondContact O-N 3Å; D258-F261 PolarHBondContact OD1-N 2.69Å; D258-F261 WeakPolarHBondContact OD2-CA 3.41Å
262K95Very high97Very high68 Ų6857.5 Ų57.530%0.29633%0.325SS..THydrogen-bonded Turntrans-87.4-11.5176.3-69.1-176.5-77.9-175.60113.2G156 A159 N161 L163 D260G156-K262 WeakPolarHBondContact O-CD 3.21Å; G156-K262 WeakPolarHBondContact O-CE 3.32Å; G156-K262 PolarHBondContact O-NZ 2.79Å; A159-K262 PolarHBondContact O-NZ 3.38Å; N161-K262 VanDerWaalsContact O-CD 3.27Å; N161-K262 WeakPolarHBondContact O-CD 3.26Å; N161-K262 WeakPolarHBondContact O-CE 3.45Å; N161-K262 PolarHBondContact O-NZ 3.29Å; N161-K262 PolarHBondContact OD1-NZ 3.48Å; L163-K262 VanDerWaalsContact O-CE 3.24Å; L163-K262 WeakPolarHBondContact O-CE 3.24Å; L163-K262 PolarHBondContact O-NZ 3.43Å; D260-K262 PolarHBondContact O-N 3.41Å
263S95.3Very high97Very high18 Ų1856.4 Ų56.413%0.12632%0.322CS..SBendtrans-90.7162167.8-63.90000109.9K162 D260 D265 R269K162-S263 WeakPolarHBondContact CE-OG 2.83Å; K162-S263 PolarHBondContact NZ-OG 3.29Å; D260-S263 VanDerWaalsContact CG-CB 3.44Å; D260-S263 WeakPolarHBondContact O-CB 3.45Å; D260-S263 PolarHBondContact O-N 2.84Å; D260-S263 VanDerWaalsContact OD1-CB 3.27Å; D260-S263 WeakPolarHBondContact OD1-CB 3.49Å; D260-S263 PolarHBondContact OD1-OG 3.2Å; D260-S263 VanDerWaalsContact OD2-CB 3.24Å; D260-S263 WeakPolarHBondContact OD2-CB 3.19Å; D260-S263 PolarHBondContact OD2-OG 3.13Å; D260-S263 VanDerWaalsContact OD2-OG 3.07Å; S263-D265 PolarHBondContact O-N 2.85Å; S263-R269 PolarHBondContact O-NH2 2.85Å
264P96Very high97.1Very high118 Ų11856.4 Ų56.477%0.76633%0.329SS*.SBendtrans-47.3141.7174.2-28.535.9000112.3R269P264-R269 PolarHBondContact O-NH1 3.06Å; P264-R269 VanDerWaalsContact O-NH1 3.08Å; P264-R269 PolarHBondContact O-NH2 2.89Å; P264-R269 VanDerWaalsContact O-NH2 3.11Å
265D95.7Very high97.2Very high107 Ų10755.7 Ų55.757%0.57231%0.312SS*.PPolyproline II helixtrans-64.1132.2-170.9-170.239.1000112.6S263 Y270S263-D265 PolarHBondContact O-N 2.85Å; D265-Y270 VanDerWaalsContact CG-OH 3.26Å; D265-Y270 PolarHBondContact OD1-OH 2.93Å; D265-Y270 PolarHBondContact OD2-OH 2.73Å
266D96.9Very high97.3Very high69 Ų6953.8 Ų53.837%0.36929%0.292SS..  trans-145.597.2178.3179.8-2.2000110.5S268 R269D266-S268 VanDerWaalsContact CG-OG 3.23Å; D266-S268 PolarHBondContact O-N 3.05Å; D266-S268 VanDerWaalsContact OD1-CB 3.27Å; D266-S268 WeakPolarHBondContact OD1-CB 3.41Å; D266-S268 PolarHBondContact OD1-N 2.92Å; D266-S268 PolarHBondContact OD1-OG 3.34Å; D266-S268 PolarHBondContact OD2-OG 2.93Å; D266-R269 VanDerWaalsContact O-CG 3.3Å; D266-R269 WeakPolarHBondContact O-CG 3.44Å; D266-R269 PolarHBondContact O-N 2.91Å
267P96.5Very high97.3Very high80 Ų8049.7 Ų49.752%0.51928%0.276SS..G310 helixtrans-59.6-15.5-179-2735.7000115.6R269 Y270P267-R269 VanDerWaalsContact C-N 3.29Å; P267-R269 PolarHBondContact O-N 2.61Å; P267-Y270 HydrophobicContact CB-CD2 4.25Å; P267-Y270 HydrophobicContact CB-CE2 4.11Å; P267-Y270 HydrophobicContact CG-CE2 4.41Å; P267-Y270 WeakPolarHBondContact O-CB 3.3Å; P267-Y270 PolarHBondContact O-N 3.06Å
268S96.9Very high97.3Very high101 Ų10154 Ų5471%0.70630%0.299SS*.G310 helixtrans-71.7-23.5179.275.90000113.1D266D266-S268 VanDerWaalsContact CG-OG 3.23Å; D266-S268 PolarHBondContact O-N 3.05Å; D266-S268 VanDerWaalsContact OD1-CB 3.27Å; D266-S268 WeakPolarHBondContact OD1-CB 3.41Å; D266-S268 PolarHBondContact OD1-N 2.92Å; D266-S268 PolarHBondContact OD1-OG 3.34Å; D266-S268 PolarHBondContact OD2-OG 2.93Å
269R96.3Very high97.3Very high62 Ų6256.2 Ų56.223%0.23431%0.311CS..G310 helixtrans-87.5-7.8177.583.8-162.1173-165.1-12.8113.6D258 D260 S263 P264 D266 P267 I271D258-R269 VanDerWaalsContact CG-NE 3.35Å; D258-R269 IonicContact OD1-CZ 2.84Å; D258-R269 IonicContact OD1-NE 2.83Å; D258-R269 PolarHBondContact OD1-NE 3.17Å; D258-R269 IonicContact OD1-NH2 2.89Å; D258-R269 PolarHBondContact OD1-NH2 3.25Å; D258-R269 IonicContact OD2-CZ 3.69Å; D258-R269 IonicContact OD2-NE 3.88Å; D258-R269 PolarHBondContact OD2-NE 2.92Å; D258-R269 IonicContact OD2-NH2 3.31Å; D258-R269 PolarHBondContact OD2-NH2 3.12Å; D260-R269 VanDerWaalsContact O-CZ 3.24Å; D260-R269 PolarHBondContact O-NH1 2.95Å; D260-R269 PolarHBondContact O-NH2 2.9Å; D260-R269 IonicContact OD2-CZ 2.68Å; D260-R269 IonicContact OD2-NH1 3.39Å; D260-R269 PolarHBondContact OD2-NH1 3.41Å; D260-R269 VanDerWaalsContact OD2-NH1 3.12Å; S263-R269 PolarHBondContact O-NH2 2.85Å; P264-R269 PolarHBondContact O-NH1 3.06Å; P264-R269 VanDerWaalsContact O-NH1 3.08Å; P264-R269 PolarHBondContact O-NH2 2.89Å; P264-R269 VanDerWaalsContact O-NH2 3.11Å; D266-R269 VanDerWaalsContact O-CG 3.3Å; D266-R269 WeakPolarHBondContact O-CG 3.44Å; D266-R269 PolarHBondContact O-N 2.91Å; P267-R269 VanDerWaalsContact C-N 3.29Å; P267-R269 PolarHBondContact O-N 2.61Å; R269-I271 PolarHBondContact O-N 3.02Å
270Y98.1Very high97.4Very high22 Ų2254.5 Ų54.59%0.08630%0.302CS..PPolyproline II helixtrans-68.3129.5-176.8-67.23.3000111.2R253 K256 Y257 D258 D265 P267R253-Y270 HydrophobicContact CB-CD2 4.14Å; R253-Y270 HydrophobicContact CB-CE1 4.47Å; R253-Y270 HydrophobicContact CB-CE2 3.4Å; R253-Y270 HydrophobicContact CG-CE2 4.26Å; K256-Y270 HydrophobicContact CB-CD2 4.23Å; K256-Y270 HydrophobicContact CB-CG 4.46Å; Y257-Y270 WeakPolarHBondContact O-CA 3.27Å; D258-Y270 HydrophobicContact CB-CD1 3.69Å; D258-Y270 HydrophobicContact CB-CE1 3.57Å; D258-Y270 WeakPolarHBondContact OD2-CE1 3.42Å; D265-Y270 VanDerWaalsContact CG-OH 3.26Å; D265-Y270 PolarHBondContact OD1-OH 2.93Å; D265-Y270 PolarHBondContact OD2-OH 2.73Å; P267-Y270 HydrophobicContact CB-CD2 4.25Å; P267-Y270 HydrophobicContact CB-CE2 4.11Å; P267-Y270 HydrophobicContact CG-CE2 4.41Å; P267-Y270 WeakPolarHBondContact O-CB 3.3Å; P267-Y270 PolarHBondContact O-N 3.06Å
271I98.5Very high97.4Very high36 Ų3657.3 Ų57.319%0.18531%0.313CS..BIsolated β-bridgetrans-102148.2178.164.4172.9000111.2K256 Y257 L259 R269 Q275 L276K256-I271 WeakPolarHBondContact CA-O 3.36Å; K256-I271 WeakPolarHBondContact CB-O 3.43Å; Y257-I271 PolarHBondContact N-O 3.34Å; Y257-I271 PolarHBondContact O-N 3.34Å; L259-I271 HydrophobicContact CD1-CD1 3.61Å; L259-I271 HydrophobicContact CG-CD1 4.03Å; R269-I271 PolarHBondContact O-N 3.02Å; I271-Q275 HydrophobicContact CB-CB 4Å; I271-L276 HydrophobicContact CD1-CB 3.93Å; I271-L276 HydrophobicContact CD1-CD1 3.9Å; I271-L276 HydrophobicContact CG1-CB 4.39Å
272S98.5Very high97.5Very high34 Ų3457.3 Ų57.324%0.23832%0.318CS..PPolyproline II helixtrans-70.7161.6176.161.80000112.2D274 Q275 L276S272-D274 PolarHBondContact O-N 3.45Å; S272-Q275 PolarHBondContact O-N 2.81Å; S272-Q275 VanDerWaalsContact OG-CG 3.31Å; S272-Q275 WeakPolarHBondContact OG-CG 3.15Å; S272-Q275 PolarHBondContact OG-N 2.87Å; S272-Q275 PolarHBondContact OG-OE1 3.15Å; S272-L276 PolarHBondContact O-N 2.82Å
273P98.5Very high97.7Very high29 Ų2954.2 Ų54.219%0.18830%0.304CS..Hα-helixtrans-54.3-39.5172.9-20.326.2000113.3Y257 L276 A277 F296 D300 A303Y257-P273 HydrophobicContact CE2-CB 3.98Å; Y257-P273 HydrophobicContact CE2-CG 3.87Å; P273-L276 PolarHBondContact O-N 2.86Å; P273-A277 WeakPolarHBondContact O-CB 3.27Å; P273-A277 PolarHBondContact O-N 3.01Å; P273-F296 HydrophobicContact CB-CD1 4.38Å; P273-F296 HydrophobicContact CB-CE1 4.36Å; P273-F296 WeakPolarHBondContact O-CE1 3.25Å; P273-D300 WeakPolarHBondContact CG-OD2 3.44Å; P273-A303 HydrophobicContact CB-CB 3.7Å
274D98.4Very high97.8Very high84 Ų8455.3 Ų55.345%0.44931%0.308SS..Hα-helixtrans-67.8-39.6179.4-68.6-25.1000111.6S272 A277 D278 K306S272-D274 PolarHBondContact O-N 3.45Å; D274-A277 WeakPolarHBondContact O-CB 3.48Å; D274-A277 PolarHBondContact O-N 3.4Å; D274-D278 PolarHBondContact O-N 3.34Å; D274-K306 IonicContact OD1-NZ 3.22Å; D274-K306 PolarHBondContact OD1-NZ 3.02Å; D274-K306 IonicContact OD2-NZ 3.72Å
275Q98.5Very high97.9Very high107 Ų10758 Ų5850%0.531%0.308SS..Hα-helixtrans-64.5-39.3174-74.9168.7-58.400112.2I271 S272 D278 L279I271-Q275 HydrophobicContact CB-CB 4Å; S272-Q275 PolarHBondContact O-N 2.81Å; S272-Q275 VanDerWaalsContact OG-CG 3.31Å; S272-Q275 WeakPolarHBondContact OG-CG 3.15Å; S272-Q275 PolarHBondContact OG-N 2.87Å; S272-Q275 PolarHBondContact OG-OE1 3.15Å; Q275-D278 PolarHBondContact O-N 3Å; Q275-L279 PolarHBondContact O-N 3.42Å
276L98.6Very high98Very high0 Ų056.3 Ų56.30%030%0.299CS..Hα-helixtrans-66.9-41176.2-176.562.3000111.3F251 Y257 L259 I271 S272 P273 D278 L279 Y280 P295 F296F251-L276 HydrophobicContact CE2-CD2 4.33Å; Y257-L276 HydrophobicContact CD1-CD2 3.78Å; Y257-L276 HydrophobicContact CD2-CB 4.39Å; Y257-L276 HydrophobicContact CD2-CD2 3.56Å; Y257-L276 HydrophobicContact CE1-CD2 4.16Å; Y257-L276 HydrophobicContact CE2-CD2 3.98Å; Y257-L276 HydrophobicContact CG-CD2 3.46Å; Y257-L276 VanDerWaalsContact CG-CD2 3.46Å; L259-L276 HydrophobicContact CD1-CD1 4.5Å; L259-L276 HydrophobicContact CD2-CD1 4.11Å; I271-L276 HydrophobicContact CD1-CB 3.93Å; I271-L276 HydrophobicContact CD1-CD1 3.9Å; I271-L276 HydrophobicContact CG1-CB 4.39Å; S272-L276 PolarHBondContact O-N 2.82Å; P273-L276 PolarHBondContact O-N 2.86Å; L276-D278 VanDerWaalsContact C-N 3.33Å; L276-D278 PolarHBondContact O-N 3.39Å; L276-L279 HydrophobicContact CD1-CD2 4.38Å; L276-L279 WeakPolarHBondContact O-CB 3.44Å; L276-L279 PolarHBondContact O-N 3.48Å; L276-Y280 HydrophobicContact CD1-CE1 4.08Å; L276-Y280 HydrophobicContact CD1-CE2 4.06Å; L276-Y280 VanDerWaalsContact CD1-OH 3.3Å; L276-Y280 WeakPolarHBondContact CD1-OH 3.34Å; L276-Y280 HydrophobicContact CD2-CE2 4.08Å; L276-Y280 WeakPolarHBondContact CD2-OH 3.02Å; L276-Y280 HydrophobicContact CG-CD2 4.41Å; L276-Y280 HydrophobicContact CG-CE1 4.45Å; L276-Y280 HydrophobicContact CG-CE2 3.52Å; L276-Y280 WeakPolarHBondContact CG-OH 3.38Å; L276-Y280 VanDerWaalsContact O-CD2 3.29Å; L276-Y280 WeakPolarHBondContact O-CD2 3.25Å; L276-Y280 PolarHBondContact O-N 3.39Å; L276-P295 WeakPolarHBondContact CD2-O 3.34Å; L276-F296 HydrophobicContact CB-CE1 4.32Å; L276-F296 HydrophobicContact CD2-CD1 4.16Å; L276-F296 HydrophobicContact CD2-CE1 4.16Å; L276-F296 HydrophobicContact CG-CE1 4.32Å
277A98.6Very high98.1Very high8 Ų853.5 Ų53.57%0.06628%0.283CS..Hα-helixtrans-59.2-42.3173.400000112.3P273 D274 L279 Y280 K281 F296 F307P273-A277 WeakPolarHBondContact O-CB 3.27Å; P273-A277 PolarHBondContact O-N 3.01Å; D274-A277 WeakPolarHBondContact O-CB 3.48Å; D274-A277 PolarHBondContact O-N 3.4Å; A277-L279 VanDerWaalsContact C-N 3.33Å; A277-Y280 PolarHBondContact O-N 3.4Å; A277-K281 WeakPolarHBondContact O-CG 3.14Å; A277-K281 PolarHBondContact O-N 3.07Å; A277-F296 HydrophobicContact CB-CE1 4.4Å; A277-F296 HydrophobicContact CB-CZ 3.86Å; A277-F307 HydrophobicContact CB-CD2 4.15Å
278D98.3Very high98.2Very high90 Ų9052.5 Ų52.548%0.48128%0.276SS..Hα-helixtrans-67.7-33.9177.7-72.5-16000112.3D274 Q275 L276 K281 S282D274-D278 PolarHBondContact O-N 3.34Å; Q275-D278 PolarHBondContact O-N 3Å; L276-D278 VanDerWaalsContact C-N 3.33Å; L276-D278 PolarHBondContact O-N 3.39Å; D278-K281 PolarHBondContact O-N 3.21Å; D278-K281 IonicContact OD1-NZ 2.87Å; D278-K281 PolarHBondContact OD1-NZ 3.27Å; D278-S282 PolarHBondContact O-N 3.2Å
279L98.2Very high98.3Very high49 Ų4947.9 Ų47.926%0.25724%0.244SC..Hα-helixtrans-60.4-47.3170.1-177.864.7000111M165 L259 Q275 L276 A277 K281 S282 F283M165-L279 HydrophobicContact CE-CD2 4.15Å; L259-L279 HydrophobicContact CD1-CD2 3.69Å; Q275-L279 PolarHBondContact O-N 3.42Å; L276-L279 HydrophobicContact CD1-CD2 4.38Å; L276-L279 WeakPolarHBondContact O-CB 3.44Å; L276-L279 PolarHBondContact O-N 3.48Å; A277-L279 VanDerWaalsContact C-N 3.33Å; L279-K281 PolarHBondContact O-N 3.47Å; L279-S282 WeakPolarHBondContact O-CB 3.44Å; L279-S282 PolarHBondContact O-N 3.08Å; L279-S282 VanDerWaalsContact O-N 3.13Å; L279-S282 PolarHBondContact O-OG 2.97Å; L279-F283 HydrophobicContact CD1-CD1 4.48Å; L279-F283 HydrophobicContact CD1-CE1 3.61Å; L279-F283 HydrophobicContact CD1-CE2 4.47Å; L279-F283 HydrophobicContact CD1-CZ 3.6Å; L279-F283 HydrophobicContact CD2-CE2 4.37Å; L279-F283 HydrophobicContact CD2-CZ 4.01Å; L279-F283 HydrophobicContact CG-CE1 4.02Å; L279-F283 HydrophobicContact CG-CE2 4.01Å; L279-F283 HydrophobicContact CG-CZ 3.6Å; L279-F283 PolarHBondContact O-N 3Å; L279-F283 VanDerWaalsContact O-N 3.09Å
280Y98.6Very high98.4Very high0 Ų046.8 Ų46.80%024%0.244CC..Hα-helixtrans-62.4-41.6176.3-60.1-41.2000113.2M165 V246 L276 A277 S282 F283 I284 I292 P295 F296 F307M165-Y280 HydrophobicContact CE-CD1 4.33Å; M165-Y280 HydrophobicContact CE-CE1 3.53Å; M165-Y280 HydrophobicContact SD-CE1 4.31Å; V246-Y280 HydrophobicContact CG1-CE1 4.45Å; V246-Y280 WeakPolarHBondContact CG1-OH 3.09Å; V246-Y280 HydrophobicContact CG2-CE1 3.7Å; L276-Y280 HydrophobicContact CD1-CE1 4.08Å; L276-Y280 HydrophobicContact CD1-CE2 4.06Å; L276-Y280 VanDerWaalsContact CD1-OH 3.3Å; L276-Y280 WeakPolarHBondContact CD1-OH 3.34Å; L276-Y280 HydrophobicContact CD2-CE2 4.08Å; L276-Y280 WeakPolarHBondContact CD2-OH 3.02Å; L276-Y280 HydrophobicContact CG-CD2 4.41Å; L276-Y280 HydrophobicContact CG-CE1 4.45Å; L276-Y280 HydrophobicContact CG-CE2 3.52Å; L276-Y280 WeakPolarHBondContact CG-OH 3.38Å; L276-Y280 VanDerWaalsContact O-CD2 3.29Å; L276-Y280 WeakPolarHBondContact O-CD2 3.25Å; L276-Y280 PolarHBondContact O-N 3.39Å; A277-Y280 PolarHBondContact O-N 3.4Å; Y280-S282 PolarHBondContact O-N 3.48Å; Y280-F283 HydrophobicContact CD1-CD2 4.31Å; Y280-F283 WeakPolarHBondContact O-CA 3.39Å; Y280-F283 WeakPolarHBondContact O-CB 3.41Å; Y280-F283 PolarHBondContact O-N 3.46Å; Y280-I284 WeakPolarHBondContact O-CG1 3.39Å; Y280-I284 PolarHBondContact O-N 3.02Å; Y280-I292 HydrophobicContact CD1-CD1 4.3Å; Y280-I292 HydrophobicContact CG-CD1 4.25Å; Y280-P295 HydrophobicContact CD2-CB 3.96Å; Y280-P295 HydrophobicContact CE2-CB 3.48Å; Y280-P295 VanDerWaalsContact CE2-CB 3.48Å; Y280-P295 VanDerWaalsContact CE2-O 3.3Å; Y280-P295 WeakPolarHBondContact CE2-O 3.46Å; Y280-P295 PolarHBondContact OH-O 2.87Å; Y280-F296 HydrophobicContact CD2-CZ 4.28Å; Y280-F296 HydrophobicContact CE2-CE1 4.3Å; Y280-F296 HydrophobicContact CE2-CZ 4.1Å; Y280-F307 HydrophobicContact CD2-CE2 4.05Å; Y280-F307 HydrophobicContact CD2-CZ 4.06Å; Y280-F307 HydrophobicContact CG-CE2 4.3Å; Y280-F307 HydrophobicContact CG-CZ 4.21Å
281K98.4Very high98.4Very high84 Ų8445.8 Ų45.837%0.36524%0.24SC..Hα-helixtrans-59.4-36.8174.7-69.2171.6-161.7155.50111.3A277 D278 L279 F283 I284 K285A277-K281 WeakPolarHBondContact O-CG 3.14Å; A277-K281 PolarHBondContact O-N 3.07Å; D278-K281 PolarHBondContact O-N 3.21Å; D278-K281 IonicContact OD1-NZ 2.87Å; D278-K281 PolarHBondContact OD1-NZ 3.27Å; L279-K281 PolarHBondContact O-N 3.47Å; K281-F283 VanDerWaalsContact C-N 3.32Å; K281-I284 PolarHBondContact O-N 3.31Å; K281-K285 WeakPolarHBondContact O-CB 3.48Å; K281-K285 PolarHBondContact O-N 2.92Å
282S98.1Very high98.4Very high38 Ų3844 Ų4427%0.26623%0.231SC..Hα-helixtrans-63.6-38.7173.384.90000111.8D278 L279 Y280 K285 D286D278-S282 PolarHBondContact O-N 3.2Å; L279-S282 WeakPolarHBondContact O-CB 3.44Å; L279-S282 PolarHBondContact O-N 3.08Å; L279-S282 VanDerWaalsContact O-N 3.13Å; L279-S282 PolarHBondContact O-OG 2.97Å; Y280-S282 PolarHBondContact O-N 3.48Å; S282-K285 PolarHBondContact O-N 3.45Å; S282-D286 WeakPolarHBondContact O-CB 3.37Å; S282-D286 PolarHBondContact O-N 3.22Å
283F98.5Very high98.5Very high2 Ų242.5 Ų42.51%0.00922%0.22CC..Hα-helixtrans-67.4-43.5176.8-62-14.1000112.5M165 N220 K221 L224 M244 L279 Y280 K281 K285 D286 Y287M165-F283 HydrophobicContact CE-CE2 3.87Å; M165-F283 HydrophobicContact SD-CE2 3.99Å; N220-F283 HydrophobicContact CB-CE2 4.11Å; N220-F283 HydrophobicContact CB-CZ 3.95Å; K221-F283 HydrophobicContact CB-CE1 4.07Å; L224-F283 HydrophobicContact CD1-CB 3.75Å; L224-F283 HydrophobicContact CD1-CD1 3.71Å; L224-F283 HydrophobicContact CD1-CD2 3.76Å; L224-F283 HydrophobicContact CD1-CE1 4.22Å; L224-F283 HydrophobicContact CD1-CE2 4.25Å; L224-F283 HydrophobicContact CD1-CG 3.47Å; L224-F283 VanDerWaalsContact CD1-CG 3.47Å; L224-F283 HydrophobicContact CD1-CZ 4.47Å; M244-F283 HydrophobicContact CE-CD2 3.94Å; M244-F283 HydrophobicContact CE-CE2 4.06Å; M244-F283 HydrophobicContact SD-CD2 4.04Å; L279-F283 HydrophobicContact CD1-CD1 4.48Å; L279-F283 HydrophobicContact CD1-CE1 3.61Å; L279-F283 HydrophobicContact CD1-CE2 4.47Å; L279-F283 HydrophobicContact CD1-CZ 3.6Å; L279-F283 HydrophobicContact CD2-CE2 4.37Å; L279-F283 HydrophobicContact CD2-CZ 4.01Å; L279-F283 HydrophobicContact CG-CE1 4.02Å; L279-F283 HydrophobicContact CG-CE2 4.01Å; L279-F283 HydrophobicContact CG-CZ 3.6Å; L279-F283 PolarHBondContact O-N 3Å; L279-F283 VanDerWaalsContact O-N 3.09Å; Y280-F283 HydrophobicContact CD1-CD2 4.31Å; Y280-F283 WeakPolarHBondContact O-CA 3.39Å; Y280-F283 WeakPolarHBondContact O-CB 3.41Å; Y280-F283 PolarHBondContact O-N 3.46Å; K281-F283 VanDerWaalsContact C-N 3.32Å; F283-K285 PolarHBondContact O-N 3.49Å; F283-D286 PolarHBondContact O-N 2.9Å; F283-Y287 HydrophobicContact CB-CD2 4.48Å; F283-Y287 HydrophobicContact CD1-CE2 4.45Å; F283-Y287 WeakPolarHBondContact O-CB 3.45Å; F283-Y287 WeakPolarHBondContact O-CD2 3.24Å; F283-Y287 PolarHBondContact O-N 3.25Å
284I98.4Very high98.5Very high41 Ų4141.1 Ų41.121%0.2121%0.211CC..Hα-helixtrans-61.8-36176.2-63.9164.3000111.1Y280 K281 V289 I292 F307 A311 I313Y280-I284 WeakPolarHBondContact O-CG1 3.39Å; Y280-I284 PolarHBondContact O-N 3.02Å; K281-I284 PolarHBondContact O-N 3.31Å; I284-V289 HydrophobicContact CG1-CG1 4.43Å; I284-I292 HydrophobicContact CD1-CD1 4.18Å; I284-I292 HydrophobicContact CG1-CD1 4.18Å; I284-F307 HydrophobicContact CD1-CE2 4.42Å; I284-F307 HydrophobicContact CD1-CZ 4.09Å; I284-A311 HydrophobicContact CD1-CB 4.33Å; I284-I313 HydrophobicContact CD1-CD1 3.68Å; I284-I313 HydrophobicContact CD1-CG1 3.9Å; I284-I313 HydrophobicContact CG1-CD1 3.86Å; I284-I313 HydrophobicContact CG1-CG1 4.43Å; I284-I313 HydrophobicContact CG2-CG2 3.92Å
285K98Very high98.5Very high175 Ų17537.1 Ų37.176%0.76119%0.19SC*.Hα-helixtrans-72.9-44.3178.5-178.6-173.5172.4-171.60112.6K281 S282 F283K281-K285 WeakPolarHBondContact O-CB 3.48Å; K281-K285 PolarHBondContact O-N 2.92Å; S282-K285 PolarHBondContact O-N 3.45Å; F283-K285 PolarHBondContact O-N 3.49Å
286D98Very high98.5Very high72 Ų7232 Ų3239%0.38517%0.166SC..Hα-helixtrans-92.4-17.8-167.8-67.6-7.6000113.3K221 S282 F283K221-D286 IonicContact NZ-OD2 3.77Å; S282-D286 WeakPolarHBondContact O-CB 3.37Å; S282-D286 PolarHBondContact O-N 3.22Å; F283-D286 PolarHBondContact O-N 2.9Å
287Y98.4Very high98.5Very high10 Ų1032.7 Ų32.74%0.03917%0.17CC..SBendtrans-134158.6-176.5-54.6-82.3000111.2K221 L224 E225 K228 F283 V289K221-Y287 WeakPolarHBondContact CE-OH 3.35Å; K221-Y287 HydrophobicContact CG-CE2 4.14Å; K221-Y287 WeakPolarHBondContact CG-OH 3.17Å; L224-Y287 HydrophobicContact CB-CD1 3.75Å; L224-Y287 HydrophobicContact CB-CD2 3.93Å; L224-Y287 HydrophobicContact CB-CE1 3.74Å; L224-Y287 HydrophobicContact CB-CE2 3.91Å; L224-Y287 HydrophobicContact CB-CG 3.86Å; L224-Y287 HydrophobicContact CD1-CD2 3.55Å; L224-Y287 HydrophobicContact CD1-CE2 3.81Å; L224-Y287 HydrophobicContact CD1-CG 4.1Å; L224-Y287 HydrophobicContact CG-CD2 4.31Å; L224-Y287 HydrophobicContact CG-CG 4.44Å; E225-Y287 VanDerWaalsContact CD-OH 3.28Å; E225-Y287 HydrophobicContact CG-CE1 4.16Å; E225-Y287 WeakPolarHBondContact CG-OH 3.43Å; E225-Y287 WeakPolarHBondContact OE1-CE1 3.1Å; E225-Y287 VanDerWaalsContact OE1-CZ 3.24Å; E225-Y287 PolarHBondContact OE1-OH 2.93Å; K228-Y287 HydrophobicContact CB-CD1 4.48Å; K228-Y287 HydrophobicContact CD-CD1 4.16Å; K228-Y287 HydrophobicContact CD-CE1 4.13Å; F283-Y287 HydrophobicContact CB-CD2 4.48Å; F283-Y287 HydrophobicContact CD1-CE2 4.45Å; F283-Y287 WeakPolarHBondContact O-CB 3.45Å; F283-Y287 WeakPolarHBondContact O-CD2 3.24Å; F283-Y287 PolarHBondContact O-N 3.25Å; Y287-V289 PolarHBondContact O-N 3.25Å
288P98.1Very high98.5Very high58 Ų5833.1 Ų33.138%0.37717%0.171SC..  trans-76.148.2178.334.3-37.8000112.1V241 I242 V290V241-P288 WeakPolarHBondContact CB-O 3.48Å; V241-P288 HydrophobicContact CG1-CB 4.42Å; I242-P288 HydrophobicContact CD1-CG 4.28Å; I242-P288 HydrophobicContact CG1-CG 4.32Å; I242-P288 PolarHBondContact N-O 3.38Å; P288-V290 PolarHBondContact O-N 3.14Å
289V98.8Very high98.5Very high5 Ų531.8 Ų31.83%0.0316%0.163CC..EExtended strand (participates in β ladder)trans-76.4119.4177.3176.50000109.1L224 I242 M244 I284 Y287 I292 I313L224-V289 HydrophobicContact CD2-CG2 4.05Å; I242-V289 HydrophobicContact CB-CG2 4.08Å; I242-V289 HydrophobicContact CG2-CG2 3.93Å; I242-V289 CarbonylContact O-C 3.57Å; I242-V289 WeakPolarHBondContact O-CA 3.35Å; M244-V289 HydrophobicContact SD-CG1 4.31Å; M244-V289 HydrophobicContact SD-CG2 4.18Å; I284-V289 HydrophobicContact CG1-CG1 4.43Å; Y287-V289 PolarHBondContact O-N 3.25Å; V289-I292 HydrophobicContact CG1-CD1 4Å; V289-I292 HydrophobicContact CG1-CG1 3.72Å; V289-I313 HydrophobicContact CG1-CD1 4.28Å
290V98.7Very high98.5Very high38 Ų3831 Ų3123%0.2316%0.159CC..EExtended strand (participates in β ladder)trans-119-6.8-177.4-59.80000113.6V241 I242 P288 Q314 F428V241-V290 HydrophobicContact CB-CG1 3.91Å; V241-V290 HydrophobicContact CB-CG2 3.89Å; V241-V290 HydrophobicContact CG1-CG1 4.06Å; V241-V290 HydrophobicContact CG2-CB 4.43Å; V241-V290 HydrophobicContact CG2-CG1 4.19Å; V241-V290 HydrophobicContact CG2-CG2 3.38Å; I242-V290 PolarHBondContact O-N 3.48Å; P288-V290 PolarHBondContact O-N 3.14Å; V290-Q314 WeakPolarHBondContact O-CB 3.45Å; V290-Q314 PolarHBondContact O-N 3.09Å; V290-F428 HydrophobicContact CG2-CE1 4.41Å; V290-F428 HydrophobicContact CG2-CZ 4.01Å
291S98.9Very high98.4Very high1 Ų132.1 Ų32.11%0.00716%0.163CC..EExtended strand (participates in β ladder)trans-146.8128.6179.3-170.30000110.4G243 M244 Q314 V316G243-S291 CarbonylContact C-O 3.58Å; G243-S291 VanDerWaalsContact CA-O 3.28Å; G243-S291 WeakPolarHBondContact CA-O 3.45Å; M244-S291 PolarHBondContact N-O 3.15Å; S291-Q314 CarbonylContact C-O 3.54Å; S291-Q314 VanDerWaalsContact CA-O 3.31Å; S291-Q314 WeakPolarHBondContact CA-O 3.27Å; S291-Q314 PolarHBondContact OG-NE2 2.99Å; S291-V316 WeakPolarHBondContact OG-CG2 3.34Å
292I98.9Very high98.4Very high0 Ų029.9 Ų29.90%017%0.165CC..EExtended strand (participates in β ladder)trans-126.8124.1170-64.7173.9000108.4M244 V246 Y280 I284 V289 P295 F307 I313 Q314 V315 V316M244-I292 HydrophobicContact CB-CG1 4.42Å; M244-I292 CarbonylContact O-C 3.57Å; M244-I292 WeakPolarHBondContact O-CA 3.48Å; V246-I292 HydrophobicContact CG2-CG2 3.85Å; Y280-I292 HydrophobicContact CD1-CD1 4.3Å; Y280-I292 HydrophobicContact CG-CD1 4.25Å; I284-I292 HydrophobicContact CD1-CD1 4.18Å; I284-I292 HydrophobicContact CG1-CD1 4.18Å; V289-I292 HydrophobicContact CG1-CD1 4Å; V289-I292 HydrophobicContact CG1-CG1 3.72Å; I292-P295 HydrophobicContact CG2-CB 3.89Å; I292-P295 HydrophobicContact CG2-CG 4.4Å; I292-F307 HydrophobicContact CD1-CZ 4.13Å; I292-I313 HydrophobicContact CB-CD1 4.27Å; I292-I313 HydrophobicContact CD1-CD1 3.94Å; I292-I313 HydrophobicContact CG1-CD1 3.8Å; I292-Q314 PolarHBondContact N-O 3.27Å; I292-V315 CarbonylContact O-C 3.47Å; I292-V315 VanDerWaalsContact O-CA 3.31Å; I292-V315 WeakPolarHBondContact O-CA 3.4Å; I292-V316 PolarHBondContact O-N 2.93Å
293E98.9Very high98.5Very high1 Ų128.3 Ų28.31%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-101.2142175.8-179.7-177.1144.100110.7M244 D245 V246 P295 V316 D318 L341 K394M244-E293 PolarHBondContact O-N 3.39Å; D245-E293 HydrophobicContact CB-CB 3.93Å; D245-E293 HydrophobicContact CB-CG 4.2Å; V246-E293 WeakPolarHBondContact CB-O 3.4Å; V246-E293 PolarHBondContact N-O 2.88Å; E293-P295 VanDerWaalsContact C-CD 3.42Å; E293-V316 WeakPolarHBondContact CA-O 3.47Å; E293-V316 HydrophobicContact CB-CB 3.72Å; E293-V316 HydrophobicContact CB-CG1 4.36Å; E293-V316 HydrophobicContact CB-CG2 4.28Å; E293-V316 HydrophobicContact CG-CB 3.89Å; E293-V316 HydrophobicContact CG-CG1 4.05Å; E293-D318 HydrophobicContact CG-CB 3.9Å; E293-D318 WeakPolarHBondContact OE1-CB 3.41Å; E293-L341 WeakPolarHBondContact OE1-CD2 3.47Å; E293-L341 WeakPolarHBondContact OE2-CD1 3.39Å; E293-K394 IonicContact OE1-NZ 3.58Å; E293-K394 PolarHBondContact OE1-NZ 2.93Å; E293-K394 WeakPolarHBondContact OE2-CE 3.2Å; E293-K394 IonicContact OE2-NZ 3.12Å; E293-K394 PolarHBondContact OE2-NZ 3.16Å
294D98.6Very high98.5Very high0 Ų028.2 Ų28.20%015%0.154CC..  trans42.552.4179.7-75.43.8000115.1V246 A248 F296 W304 V316 D318 D319V246-D294 WeakPolarHBondContact CB-O 3.43Å; A248-D294 VanDerWaalsContact CB-O 3.22Å; A248-D294 WeakPolarHBondContact CB-O 3.48Å; A248-D294 PolarHBondContact N-O 3.31Å; A248-D294 VanDerWaalsContact N-O 3.1Å; D294-F296 PolarHBondContact O-N 2.94Å; D294-F296 VanDerWaalsContact O-N 3.15Å; D294-W304 HydrophobicContact CB-CH2 4.41Å; D294-W304 HydrophobicContact CB-CZ2 4.38Å; D294-W304 VanDerWaalsContact OD1-CH2 3.24Å; D294-W304 WeakPolarHBondContact OD1-CH2 3.46Å; D294-V316 PolarHBondContact N-O 3.09Å; D294-V316 VanDerWaalsContact N-O 3.09Å; D294-D318 PolarHBondContact OD1-N 3.43Å; D294-D318 WeakPolarHBondContact OD2-CB 3.48Å; D294-D319 VanDerWaalsContact OD2-CB 3.26Å; D294-D319 WeakPolarHBondContact OD2-CB 3.3Å; D294-D319 PolarHBondContact OD2-N 3.34Å
295P98.8Very high98.5Very high0 Ų029.9 Ų29.90%016%0.16CC..  trans-62.2-20.1178.826.5-36000113.8L276 Y280 I292 E293 W304 F307 V315L276-P295 WeakPolarHBondContact CD2-O 3.34Å; Y280-P295 HydrophobicContact CD2-CB 3.96Å; Y280-P295 HydrophobicContact CE2-CB 3.48Å; Y280-P295 VanDerWaalsContact CE2-CB 3.48Å; Y280-P295 VanDerWaalsContact CE2-O 3.3Å; Y280-P295 WeakPolarHBondContact CE2-O 3.46Å; Y280-P295 PolarHBondContact OH-O 2.87Å; I292-P295 HydrophobicContact CG2-CB 3.89Å; I292-P295 HydrophobicContact CG2-CG 4.4Å; E293-P295 VanDerWaalsContact C-CD 3.42Å; P295-W304 HydrophobicContact CG-CD2 4.49Å; P295-W304 HydrophobicContact CG-CE3 4.07Å; P295-W304 HydrophobicContact CG-CH2 4.35Å; P295-W304 HydrophobicContact CG-CZ3 4.03Å; P295-F307 HydrophobicContact CB-CD1 4.19Å; P295-F307 HydrophobicContact CB-CE1 4.12Å; P295-F307 HydrophobicContact CG-CD1 3.98Å; P295-F307 HydrophobicContact CG-CE1 4.13Å; P295-V315 HydrophobicContact CG-CG1 4.03Å
296F98.8Very high98.5Very high0 Ų027.4 Ų27.40%015%0.15CC..SBendtrans-138.9165.3180-56-73.7000110Y257 P273 L276 A277 Y280 D294 D300 A303 W304 F307Y257-F296 HydrophobicContact CE2-CD1 4.01Å; Y257-F296 AromaticContact CZ-CD1 3.92Å; Y257-F296 WeakPolarHBondContact OH-CA 3.29Å; Y257-F296 WeakPolarHBondContact OH-CB 3.34Å; P273-F296 HydrophobicContact CB-CD1 4.38Å; P273-F296 HydrophobicContact CB-CE1 4.36Å; P273-F296 WeakPolarHBondContact O-CE1 3.25Å; L276-F296 HydrophobicContact CB-CE1 4.32Å; L276-F296 HydrophobicContact CD2-CD1 4.16Å; L276-F296 HydrophobicContact CD2-CE1 4.16Å; L276-F296 HydrophobicContact CG-CE1 4.32Å; A277-F296 HydrophobicContact CB-CE1 4.4Å; A277-F296 HydrophobicContact CB-CZ 3.86Å; Y280-F296 HydrophobicContact CD2-CZ 4.28Å; Y280-F296 HydrophobicContact CE2-CE1 4.3Å; Y280-F296 HydrophobicContact CE2-CZ 4.1Å; D294-F296 PolarHBondContact O-N 2.94Å; D294-F296 VanDerWaalsContact O-N 3.15Å; F296-D300 HydrophobicContact CB-CB 4.28Å; F296-A303 HydrophobicContact CB-CB 4.05Å; F296-A303 HydrophobicContact CD1-CB 3.5Å; F296-A303 VanDerWaalsContact CD1-CB 3.5Å; F296-A303 HydrophobicContact CD2-CB 3.87Å; F296-A303 HydrophobicContact CE1-CB 3.9Å; F296-A303 HydrophobicContact CE2-CB 4.27Å; F296-A303 HydrophobicContact CG-CB 3.48Å; F296-A303 VanDerWaalsContact CG-CB 3.48Å; F296-A303 HydrophobicContact CZ-CB 4.28Å; F296-W304 HydrophobicContact CB-CG 4.29Å; F296-W304 HydrophobicContact CD2-CD2 4.47Å; F296-W304 HydrophobicContact CD2-CG 4.25Å; F296-W304 WeakPolarHBondContact O-CZ2 3.42Å; F296-W304 PolarHBondContact O-NE1 3.18Å; F296-F307 HydrophobicContact CD2-CB 4.44Å; F296-F307 HydrophobicContact CE2-CB 3.35Å; F296-F307 AromaticContact CE2-CD1 3.92Å; F296-F307 HydrophobicContact CE2-CD1 3.92Å; F296-F307 HydrophobicContact CE2-CD2 4.5Å; F296-F307 AromaticContact CE2-CG 3.69Å; F296-F307 HydrophobicContact CE2-CG 3.69Å; F296-F307 HydrophobicContact CZ-CB 3.85Å; F296-F307 HydrophobicContact CZ-CG 4.1Å
297D98.5Very high98.5Very high15 Ų1524 Ų248%0.0813%0.132CC..  trans-54.6147.8177.8174.975.2000111.9F252 Y257 D299 D300 W304F252-D297 HydrophobicContact CB-CB 3.82Å; F252-D297 HydrophobicContact CD1-CB 3.75Å; F252-D297 VanDerWaalsContact CD1-CG 3.46Å; F252-D297 HydrophobicContact CD2-CB 3.78Å; F252-D297 HydrophobicContact CE1-CB 4.17Å; F252-D297 HydrophobicContact CE2-CB 4.18Å; F252-D297 HydrophobicContact CG-CB 3.52Å; F252-D297 HydrophobicContact CZ-CB 4.35Å; Y257-D297 HydrophobicContact CE1-CB 4.26Å; Y257-D297 PolarHBondContact OH-N 3.48Å; D297-D299 PolarHBondContact O-N 2.9Å; D297-D299 PolarHBondContact OD2-N 3.38Å; D297-D300 HydrophobicContact CB-CB 4.05Å; D297-D300 PolarHBondContact O-N 3.42Å; D297-W304 PolarHBondContact O-NE1 3.36Å
298Q98.1Very high98.5Very high17 Ų1724.6 Ų24.68%0.07914%0.136CC..THydrogen-bonded Turntrans-53.9-16.7-179.864.9-163.7-32.400115.1G42 Y44 S249 D319 L320 R327G42-Q298 VanDerWaalsContact CA-OE1 3.31Å; Y44-Q298 HydrophobicContact CE2-CG 4.22Å; S249-Q298 PolarHBondContact OG-N 3.09Å; S249-Q298 VanDerWaalsContact OG-N 3.12Å; Q298-D319 HydrophobicContact CB-CB 4.01Å; Q298-L320 WeakPolarHBondContact O-CD1 3.48Å; Q298-R327 PolarHBondContact O-NH2 3.08Å
299D98.2Very high98.5Very high61 Ų6126.2 Ų26.233%0.32615%0.154SC..THydrogen-bonded Turntrans-121.75174.6-69.5-45.7000114.9Y44 D297 W301 R327Y44-D299 WeakPolarHBondContact CE2-OD1 3.25Å; Y44-D299 WeakPolarHBondContact CE2-OD2 3.43Å; Y44-D299 PolarHBondContact OH-OD1 2.93Å; Y44-D299 PolarHBondContact OH-OD2 3.34Å; D297-D299 PolarHBondContact O-N 2.9Å; D297-D299 PolarHBondContact OD2-N 3.38Å; D299-W301 PolarHBondContact O-N 3.47Å; D299-R327 IonicContact OD1-CZ 2.85Å; D299-R327 IonicContact OD1-NH1 2.64Å; D299-R327 IonicContact OD1-NH2 3.97Å; D299-R327 PolarHBondContact OD1-NH2 3.48Å
300D98Very high98.5Very high33 Ų3329.3 Ų29.318%0.17618%0.176CC..  trans-82.353.9173.9-168.50.7000112Y257 P273 F296 D297 G302 A303 W304Y257-D300 WeakPolarHBondContact OH-CB 3.46Å; Y257-D300 PolarHBondContact OH-OD2 2.84Å; P273-D300 WeakPolarHBondContact CG-OD2 3.44Å; F296-D300 HydrophobicContact CB-CB 4.28Å; D297-D300 HydrophobicContact CB-CB 4.05Å; D297-D300 PolarHBondContact O-N 3.42Å; D300-G302 PolarHBondContact O-N 3.11Å; D300-A303 HydrophobicContact CB-CB 4.36Å; D300-A303 VanDerWaalsContact CG-CB 3.41Å; D300-A303 PolarHBondContact O-N 3.5Å; D300-A303 WeakPolarHBondContact OD1-CB 3.39Å; D300-A303 PolarHBondContact OD1-N 2.8Å; D300-A303 VanDerWaalsContact OD2-CB 3.29Å; D300-A303 WeakPolarHBondContact OD2-CB 3.37Å; D300-W304 VanDerWaalsContact O-CD1 3.25Å; D300-W304 PolarHBondContact O-N 2.94Å
301W98.4Very high98.4Very high23 Ų2328 Ų289%0.08717%0.169CC..Hα-helixtrans-49.7-38.5-174.7-6993.1000113.1D299 A303 W304 Q305 L320 R327 K330 A331 E334 S336D299-W301 PolarHBondContact O-N 3.47Å; W301-A303 PolarHBondContact O-N 3.41Å; W301-W304 PolarHBondContact O-N 2.8Å; W301-Q305 WeakPolarHBondContact O-CG 3.38Å; W301-Q305 PolarHBondContact O-N 3.06Å; W301-L320 HydrophobicContact CD2-CD1 4.13Å; W301-L320 HydrophobicContact CE3-CD1 3.99Å; W301-L320 HydrophobicContact CH2-CD1 3.63Å; W301-L320 HydrophobicContact CH2-CG 4.13Å; W301-L320 HydrophobicContact CZ2-CD1 3.78Å; W301-L320 HydrophobicContact CZ3-CD1 3.72Å; W301-L320 HydrophobicContact CZ3-CD2 4.41Å; W301-L320 HydrophobicContact CZ3-CG 4.25Å; W301-R327 VanDerWaalsContact CZ2-NH2 3.32Å; W301-K330 HydrophobicContact CD2-CD 4.37Å; W301-K330 VanDerWaalsContact CE2-CE 3.44Å; W301-K330 HydrophobicContact CE3-CD 4.45Å; W301-K330 HydrophobicContact CE3-CG 4.4Å; W301-K330 HydrophobicContact CH2-CB 4.07Å; W301-K330 HydrophobicContact CH2-CD 3.66Å; W301-K330 HydrophobicContact CH2-CG 3.76Å; W301-K330 HydrophobicContact CZ2-CD 3.51Å; W301-K330 HydrophobicContact CZ2-CG 4.15Å; W301-K330 HydrophobicContact CZ3-CB 4.44Å; W301-K330 HydrophobicContact CZ3-CD 4.15Å; W301-K330 HydrophobicContact CZ3-CG 3.91Å; W301-A331 HydrophobicContact CH2-CB 4.08Å; W301-A331 HydrophobicContact CZ3-CB 3.7Å; W301-E334 WeakPolarHBondContact CB-OE2 3.34Å; W301-E334 HydrophobicContact CE3-CB 4.49Å; W301-S336 VanDerWaalsContact CE3-OG 3.28Å
302G98.1Very high98.3Very high38 Ų3831.5 Ų31.539%0.39221%0.205SC..Hα-helixtrans-63.8-40.5179.100000113.4D300 K306D300-G302 PolarHBondContact O-N 3.11Å; G302-K306 WeakPolarHBondContact O-CG 3.45Å; G302-K306 PolarHBondContact O-N 3.26Å
303A98.6Very high98.3Very high5 Ų532.3 Ų32.34%0.04121%0.21CC..Hα-helixtrans-68.1-43.417700000111.8P273 F296 D300 W301 Q305 K306 F307P273-A303 HydrophobicContact CB-CB 3.7Å; F296-A303 HydrophobicContact CB-CB 4.05Å; F296-A303 HydrophobicContact CD1-CB 3.5Å; F296-A303 VanDerWaalsContact CD1-CB 3.5Å; F296-A303 HydrophobicContact CD2-CB 3.87Å; F296-A303 HydrophobicContact CE1-CB 3.9Å; F296-A303 HydrophobicContact CE2-CB 4.27Å; F296-A303 HydrophobicContact CG-CB 3.48Å; F296-A303 VanDerWaalsContact CG-CB 3.48Å; F296-A303 HydrophobicContact CZ-CB 4.28Å; D300-A303 HydrophobicContact CB-CB 4.36Å; D300-A303 VanDerWaalsContact CG-CB 3.41Å; D300-A303 PolarHBondContact O-N 3.5Å; D300-A303 WeakPolarHBondContact OD1-CB 3.39Å; D300-A303 PolarHBondContact OD1-N 2.8Å; D300-A303 VanDerWaalsContact OD2-CB 3.29Å; D300-A303 WeakPolarHBondContact OD2-CB 3.37Å; W301-A303 PolarHBondContact O-N 3.41Å; A303-Q305 PolarHBondContact O-N 2.99Å; A303-K306 PolarHBondContact O-N 3.11Å; A303-F307 WeakPolarHBondContact O-CB 3.38Å; A303-F307 PolarHBondContact O-N 3.33Å
304W98.8Very high98.3Very high0 Ų032.2 Ų32.20%021%0.209CC..Hα-helixtrans-54-50.9173.7-78.795.4000112.2D294 P295 F296 D297 D300 W301 K306 F307 T308 V315 V316 L320 S336 C337D294-W304 HydrophobicContact CB-CH2 4.41Å; D294-W304 HydrophobicContact CB-CZ2 4.38Å; D294-W304 VanDerWaalsContact OD1-CH2 3.24Å; D294-W304 WeakPolarHBondContact OD1-CH2 3.46Å; P295-W304 HydrophobicContact CG-CD2 4.49Å; P295-W304 HydrophobicContact CG-CE3 4.07Å; P295-W304 HydrophobicContact CG-CH2 4.35Å; P295-W304 HydrophobicContact CG-CZ3 4.03Å; F296-W304 HydrophobicContact CB-CG 4.29Å; F296-W304 HydrophobicContact CD2-CD2 4.47Å; F296-W304 HydrophobicContact CD2-CG 4.25Å; F296-W304 WeakPolarHBondContact O-CZ2 3.42Å; F296-W304 PolarHBondContact O-NE1 3.18Å; D297-W304 PolarHBondContact O-NE1 3.36Å; D300-W304 VanDerWaalsContact O-CD1 3.25Å; D300-W304 PolarHBondContact O-N 2.94Å; W301-W304 PolarHBondContact O-N 2.8Å; W304-K306 PolarHBondContact O-N 2.85Å; W304-F307 PolarHBondContact O-N 3.37Å; W304-T308 VanDerWaalsContact O-CB 3.31Å; W304-T308 WeakPolarHBondContact O-CB 3.31Å; W304-T308 PolarHBondContact O-N 3.34Å; W304-T308 PolarHBondContact O-OG1 3.47Å; W304-V315 HydrophobicContact CE3-CG1 4.03Å; W304-V315 HydrophobicContact CZ3-CG1 3.84Å; W304-V316 WeakPolarHBondContact CH2-O 3.42Å; W304-L320 HydrophobicContact CD2-CD1 4.45Å; W304-L320 HydrophobicContact CD2-CD2 3.71Å; W304-L320 HydrophobicContact CE3-CD2 3.72Å; W304-L320 HydrophobicContact CG-CD1 4.5Å; W304-L320 HydrophobicContact CG-CD2 4.28Å; W304-L320 HydrophobicContact CH2-CB 3.88Å; W304-L320 HydrophobicContact CH2-CD2 3.9Å; W304-L320 HydrophobicContact CH2-CG 4.48Å; W304-L320 HydrophobicContact CZ2-CB 3.62Å; W304-L320 HydrophobicContact CZ2-CD1 4.49Å; W304-L320 HydrophobicContact CZ2-CD2 3.98Å; W304-L320 HydrophobicContact CZ2-CG 4.22Å; W304-L320 HydrophobicContact CZ3-CD2 3.79Å; W304-S336 VanDerWaalsContact CE3-O 3.31Å; W304-C337 HydrophobicContact CE3-CB 4.02Å; W304-C337 HydrophobicContact CZ3-CB 3.79Å
305Q98.5Very high98.3Very high75 Ų7532.2 Ų32.235%0.3521%0.209SC..Hα-helixtrans-59-50.1-180-68.1179.734.800112.2W301 A303 F307 A309 E334W301-Q305 WeakPolarHBondContact O-CG 3.38Å; W301-Q305 PolarHBondContact O-N 3.06Å; A303-Q305 PolarHBondContact O-N 2.99Å; Q305-F307 PolarHBondContact O-N 3.21Å; Q305-A309 WeakPolarHBondContact O-CB 3.45Å; Q305-A309 PolarHBondContact O-N 3.07Å; Q305-A309 VanDerWaalsContact O-N 3.08Å; Q305-E334 HydrophobicContact CG-CB 4.22Å; Q305-E334 VanDerWaalsContact CG-O 3.24Å; Q305-E334 WeakPolarHBondContact CG-O 3.17Å; Q305-E334 PolarHBondContact NE2-OE2 3.33Å
306K98.2Very high98.3Very high123 Ų12332.2 Ų32.254%0.53521%0.209SC..Hα-helixtrans-60.2-44.5-180-73.5177179.5-1790112D274 G302 A303 W304 S310D274-K306 IonicContact OD1-NZ 3.22Å; D274-K306 PolarHBondContact OD1-NZ 3.02Å; D274-K306 IonicContact OD2-NZ 3.72Å; G302-K306 WeakPolarHBondContact O-CG 3.45Å; G302-K306 PolarHBondContact O-N 3.26Å; A303-K306 PolarHBondContact O-N 3.11Å; W304-K306 PolarHBondContact O-N 2.85Å; K306-S310 PolarHBondContact O-OG 2.85Å; K306-S310 VanDerWaalsContact O-OG 3.06Å
307F98.7Very high98.3Very high2 Ų232.2 Ų32.21%0.00921%0.209CC..Hα-helixtrans-70.3-49.2-178.8-179.8-112000111.5A277 Y280 I284 I292 P295 F296 A303 W304 Q305 A309 S310 A311 V315A277-F307 HydrophobicContact CB-CD2 4.15Å; Y280-F307 HydrophobicContact CD2-CE2 4.05Å; Y280-F307 HydrophobicContact CD2-CZ 4.06Å; Y280-F307 HydrophobicContact CG-CE2 4.3Å; Y280-F307 HydrophobicContact CG-CZ 4.21Å; I284-F307 HydrophobicContact CD1-CE2 4.42Å; I284-F307 HydrophobicContact CD1-CZ 4.09Å; I292-F307 HydrophobicContact CD1-CZ 4.13Å; P295-F307 HydrophobicContact CB-CD1 4.19Å; P295-F307 HydrophobicContact CB-CE1 4.12Å; P295-F307 HydrophobicContact CG-CD1 3.98Å; P295-F307 HydrophobicContact CG-CE1 4.13Å; F296-F307 HydrophobicContact CD2-CB 4.44Å; F296-F307 HydrophobicContact CE2-CB 3.35Å; F296-F307 AromaticContact CE2-CD1 3.92Å; F296-F307 HydrophobicContact CE2-CD1 3.92Å; F296-F307 HydrophobicContact CE2-CD2 4.5Å; F296-F307 AromaticContact CE2-CG 3.69Å; F296-F307 HydrophobicContact CE2-CG 3.69Å; F296-F307 HydrophobicContact CZ-CB 3.85Å; F296-F307 HydrophobicContact CZ-CG 4.1Å; A303-F307 WeakPolarHBondContact O-CB 3.38Å; A303-F307 PolarHBondContact O-N 3.33Å; W304-F307 PolarHBondContact O-N 3.37Å; Q305-F307 PolarHBondContact O-N 3.21Å; F307-A309 PolarHBondContact O-N 3.26Å; F307-S310 CarbonylContact O-C 3.56Å; F307-S310 PolarHBondContact O-N 2.95Å; F307-S310 PolarHBondContact O-OG 2.64Å; F307-A311 HydrophobicContact CD1-CB 4.18Å; F307-A311 HydrophobicContact CD2-CB 4.25Å; F307-A311 HydrophobicContact CE1-CB 3.85Å; F307-A311 HydrophobicContact CE2-CB 3.92Å; F307-A311 HydrophobicContact CG-CB 4.37Å; F307-A311 HydrophobicContact CZ-CB 3.71Å; F307-A311 VanDerWaalsContact O-CB 3.28Å; F307-A311 WeakPolarHBondContact O-CB 3.49Å; F307-A311 PolarHBondContact O-N 2.98Å; F307-V315 HydrophobicContact CD1-CG1 4.45Å; F307-V315 HydrophobicContact CD1-CG2 4.21Å; F307-V315 HydrophobicContact CE1-CG2 4Å
308T98.7Very high98.3Very high21 Ų2131.7 Ų31.713%0.12921%0.206CC..Hα-helixtrans-59.3-35.6180-68.10000112.3W304 S310 V315 K335 S336W304-T308 VanDerWaalsContact O-CB 3.31Å; W304-T308 WeakPolarHBondContact O-CB 3.31Å; W304-T308 PolarHBondContact O-N 3.34Å; W304-T308 PolarHBondContact O-OG1 3.47Å; T308-S310 PolarHBondContact O-N 3.27Å; T308-V315 WeakPolarHBondContact OG1-CG1 3.42Å; T308-K335 WeakPolarHBondContact CG2-O 3.42Å; T308-S336 WeakPolarHBondContact CB-O 3.37Å; T308-S336 PolarHBondContact OG1-O 2.93Å
309A98.3Very high98.3Very high92 Ų9231 Ų3176%0.7620%0.203SC*.Hα-helixtrans-63.8-23.8174.600000114.2Q305 F307Q305-A309 WeakPolarHBondContact O-CB 3.45Å; Q305-A309 PolarHBondContact O-N 3.07Å; Q305-A309 VanDerWaalsContact O-N 3.08Å; F307-A309 PolarHBondContact O-N 3.26Å
310S97.4Very high98.3Very high71 Ų7128.1 Ų28.150%0.49719%0.188SC..Hα-helixtrans-118.1-15.6-173.959.70000115.3K306 F307 T308K306-S310 PolarHBondContact O-OG 2.85Å; K306-S310 VanDerWaalsContact O-OG 3.06Å; F307-S310 CarbonylContact O-C 3.56Å; F307-S310 PolarHBondContact O-N 2.95Å; F307-S310 PolarHBondContact O-OG 2.64Å; T308-S310 PolarHBondContact O-N 3.27Å
311A97.5Very high98.3Very high10 Ų1026.6 Ų26.68%0.08318%0.18CC..Hα-helixtrans-70.7-33.2-171.300000114.2I284 F307 I313 V315I284-A311 HydrophobicContact CD1-CB 4.33Å; F307-A311 HydrophobicContact CD1-CB 4.18Å; F307-A311 HydrophobicContact CD2-CB 4.25Å; F307-A311 HydrophobicContact CE1-CB 3.85Å; F307-A311 HydrophobicContact CE2-CB 3.92Å; F307-A311 HydrophobicContact CG-CB 4.37Å; F307-A311 HydrophobicContact CZ-CB 3.71Å; F307-A311 VanDerWaalsContact O-CB 3.28Å; F307-A311 WeakPolarHBondContact O-CB 3.49Å; F307-A311 PolarHBondContact O-N 2.98Å; A311-I313 HydrophobicContact CB-CG1 4.12Å; A311-I313 PolarHBondContact O-N 2.97Å; A311-I313 VanDerWaalsContact O-N 3.08Å; A311-V315 HydrophobicContact CB-CG2 4.17Å
312G96.8Very high98.3Very high74 Ų7425.5 Ų25.576%0.76318%0.175SC*.  trans69.7-1.4178.900000116.1
313I98.6Very high98.3Very high17 Ų1723.7 Ų23.79%0.08716%0.157CC..SBendtrans-112.1-172.9-178.362.1155.2000111.8I284 V289 I292 A311 N338 R429I284-I313 HydrophobicContact CD1-CD1 3.68Å; I284-I313 HydrophobicContact CD1-CG1 3.9Å; I284-I313 HydrophobicContact CG1-CD1 3.86Å; I284-I313 HydrophobicContact CG1-CG1 4.43Å; I284-I313 HydrophobicContact CG2-CG2 3.92Å; V289-I313 HydrophobicContact CG1-CD1 4.28Å; I292-I313 HydrophobicContact CB-CD1 4.27Å; I292-I313 HydrophobicContact CD1-CD1 3.94Å; I292-I313 HydrophobicContact CG1-CD1 3.8Å; A311-I313 HydrophobicContact CB-CG1 4.12Å; A311-I313 PolarHBondContact O-N 2.97Å; A311-I313 VanDerWaalsContact O-N 3.08Å; I313-N338 PolarHBondContact O-ND2 3.19Å; I313-R429 PolarHBondContact O-NH2 2.68Å; I313-R429 VanDerWaalsContact O-NH2 3.15Å
314Q98.8Very high98.2Very high0 Ų025 Ų250%016%0.163CC..EExtended strand (participates in β ladder)trans-71.6128.7166.7-178.1168.4-86.800109.9V290 S291 I292 V316 N338 C339V290-Q314 WeakPolarHBondContact O-CB 3.45Å; V290-Q314 PolarHBondContact O-N 3.09Å; S291-Q314 CarbonylContact C-O 3.54Å; S291-Q314 VanDerWaalsContact CA-O 3.31Å; S291-Q314 WeakPolarHBondContact CA-O 3.27Å; S291-Q314 PolarHBondContact OG-NE2 2.99Å; I292-Q314 PolarHBondContact N-O 3.27Å; Q314-V316 HydrophobicContact CG-CG2 3.8Å; Q314-N338 WeakPolarHBondContact CA-OD1 3.46Å; Q314-C339 VanDerWaalsContact CD-SG 3.54Å; Q314-C339 HydrophobicContact CG-CB 3.48Å; Q314-C339 VanDerWaalsContact CG-CB 3.48Å
315V98.9Very high98.1Very high0 Ų026.8 Ų26.80%018%0.175CC..EExtended strand (participates in β ladder)trans-117.4116.5170.8-176.10000106.9I292 P295 W304 F307 T308 A311 C337 N338 C339I292-V315 CarbonylContact O-C 3.47Å; I292-V315 VanDerWaalsContact O-CA 3.31Å; I292-V315 WeakPolarHBondContact O-CA 3.4Å; P295-V315 HydrophobicContact CG-CG1 4.03Å; W304-V315 HydrophobicContact CE3-CG1 4.03Å; W304-V315 HydrophobicContact CZ3-CG1 3.84Å; F307-V315 HydrophobicContact CD1-CG1 4.45Å; F307-V315 HydrophobicContact CD1-CG2 4.21Å; F307-V315 HydrophobicContact CE1-CG2 4Å; T308-V315 WeakPolarHBondContact OG1-CG1 3.42Å; A311-V315 HydrophobicContact CB-CG2 4.17Å; V315-C337 HydrophobicContact CB-CB 4.31Å; V315-C337 HydrophobicContact CG1-CB 3.98Å; V315-C337 WeakPolarHBondContact O-CB 3.41Å; V315-N338 PolarHBondContact N-OD1 3.08Å; V315-N338 PolarHBondContact O-N 3.1Å; V315-N338 PolarHBondContact O-OD1 2.82Å; V315-C339 PolarHBondContact O-N 3.09Å
316V98.9Very high98Very high0 Ų029.7 Ų29.70%019%0.186CC..EExtended strand (participates in β ladder)trans-101.7128.4-172.1-169.30000109.3S291 I292 E293 D294 W304 Q314 C339 L341S291-V316 WeakPolarHBondContact OG-CG2 3.34Å; I292-V316 PolarHBondContact O-N 2.93Å; E293-V316 WeakPolarHBondContact CA-O 3.47Å; E293-V316 HydrophobicContact CB-CB 3.72Å; E293-V316 HydrophobicContact CB-CG1 4.36Å; E293-V316 HydrophobicContact CB-CG2 4.28Å; E293-V316 HydrophobicContact CG-CB 3.89Å; E293-V316 HydrophobicContact CG-CG1 4.05Å; D294-V316 PolarHBondContact N-O 3.09Å; D294-V316 VanDerWaalsContact N-O 3.09Å; W304-V316 WeakPolarHBondContact CH2-O 3.42Å; Q314-V316 HydrophobicContact CG-CG2 3.8Å; V316-C339 CarbonylContact C-O 3.45Å; V316-C339 WeakPolarHBondContact CA-O 3.45Å; V316-C339 HydrophobicContact CB-CB 4.32Å; V316-C339 HydrophobicContact CG1-CB 4.37Å; V316-C339 HydrophobicContact CG2-CB 3.95Å; V316-L341 HydrophobicContact CG1-CB 3.76Å; V316-L341 HydrophobicContact CG1-CD1 4.12Å
317G98.7Very high98Very high0 Ų025.2 Ų25.20%017%0.166CC..EExtended strand (participates in β ladder)trans-94116.9168.800000110.9T321 C339 L341G317-T321 PolarHBondContact O-OG1 2.73Å; G317-C339 PolarHBondContact N-O 3.13Å; G317-L341 PolarHBondContact O-N 3.45Å
318D98.4Very high98Very high4 Ų425.1 Ų25.12%0.02117%0.166CC..SBendtrans-105.3-85.4171.2174.926.3000109.7E293 D294 L320 T321 V322 L341 K343 Q346E293-D318 HydrophobicContact CG-CB 3.9Å; E293-D318 WeakPolarHBondContact OE1-CB 3.41Å; D294-D318 PolarHBondContact OD1-N 3.43Å; D294-D318 WeakPolarHBondContact OD2-CB 3.48Å; D318-L320 PolarHBondContact O-N 2.81Å; D318-T321 PolarHBondContact O-N 3Å; D318-V322 WeakPolarHBondContact O-CA 3.45Å; D318-V322 PolarHBondContact O-N 3.43Å; D318-L341 HydrophobicContact CB-CB 3.84Å; D318-L341 HydrophobicContact CB-CD2 3.7Å; D318-L341 HydrophobicContact CB-CG 4.41Å; D318-L341 WeakPolarHBondContact OD1-CD2 3.45Å; D318-K343 WeakPolarHBondContact OD1-CD 3.46Å; D318-K343 IonicContact OD1-NZ 3.88Å; D318-K343 PolarHBondContact OD1-NZ 2.87Å; D318-K343 IonicContact OD2-NZ 2.81Å; D318-K343 PolarHBondContact OD2-NZ 3.1Å; D318-Q346 PolarHBondContact OD1-NE2 3.37Å
319D97.3Very high97.9Very high3 Ų325.9 Ų25.92%0.01617%0.174CC..THydrogen-bonded Turntrans-64.2-26.8178.2-70.3-24.1000112.1G42 D294 Q298 T321 V322G42-D319 VanDerWaalsContact CA-OD1 3.29Å; G42-D319 WeakPolarHBondContact CA-OD1 3.39Å; G42-D319 PolarHBondContact N-OD1 3.44Å; D294-D319 VanDerWaalsContact OD2-CB 3.26Å; D294-D319 WeakPolarHBondContact OD2-CB 3.3Å; D294-D319 PolarHBondContact OD2-N 3.34Å; Q298-D319 HydrophobicContact CB-CB 4.01Å; D319-T321 PolarHBondContact O-N 2.93Å; D319-V322 WeakPolarHBondContact O-CG1 3.4Å
320L98.4Very high97.9Very high0 Ų025.3 Ų25.30%015%0.154CC..THydrogen-bonded Turntrans-57.5-38.1171.7179.870.1000111.8Q298 W301 W304 D318 R327 A331 C337Q298-L320 WeakPolarHBondContact O-CD1 3.48Å; W301-L320 HydrophobicContact CD2-CD1 4.13Å; W301-L320 HydrophobicContact CE3-CD1 3.99Å; W301-L320 HydrophobicContact CH2-CD1 3.63Å; W301-L320 HydrophobicContact CH2-CG 4.13Å; W301-L320 HydrophobicContact CZ2-CD1 3.78Å; W301-L320 HydrophobicContact CZ3-CD1 3.72Å; W301-L320 HydrophobicContact CZ3-CD2 4.41Å; W301-L320 HydrophobicContact CZ3-CG 4.25Å; W304-L320 HydrophobicContact CD2-CD1 4.45Å; W304-L320 HydrophobicContact CD2-CD2 3.71Å; W304-L320 HydrophobicContact CE3-CD2 3.72Å; W304-L320 HydrophobicContact CG-CD1 4.5Å; W304-L320 HydrophobicContact CG-CD2 4.28Å; W304-L320 HydrophobicContact CH2-CB 3.88Å; W304-L320 HydrophobicContact CH2-CD2 3.9Å; W304-L320 HydrophobicContact CH2-CG 4.48Å; W304-L320 HydrophobicContact CZ2-CB 3.62Å; W304-L320 HydrophobicContact CZ2-CD1 4.49Å; W304-L320 HydrophobicContact CZ2-CD2 3.98Å; W304-L320 HydrophobicContact CZ2-CG 4.22Å; W304-L320 HydrophobicContact CZ3-CD2 3.79Å; D318-L320 PolarHBondContact O-N 2.81Å; L320-R327 PolarHBondContact O-NE 2.61Å; L320-A331 HydrophobicContact CD2-CB 4.17Å; L320-C337 HydrophobicContact CD2-CB 4.46Å
321T98.5Very high98Very high0 Ų021.9 Ų21.90%013%0.131CC..THydrogen-bonded Turntrans-115.5-24.4-169.468.50000114.2G317 D318 D319 T323 N324 I328 A331 L340 W365G317-T321 PolarHBondContact O-OG1 2.73Å; D318-T321 PolarHBondContact O-N 3Å; D319-T321 PolarHBondContact O-N 2.93Å; T321-T323 PolarHBondContact O-N 2.71Å; T321-N324 WeakPolarHBondContact O-CB 3.42Å; T321-N324 PolarHBondContact O-N 3.41Å; T321-I328 HydrophobicContact CG2-CG1 4.36Å; T321-A331 HydrophobicContact CG2-CB 4.14Å; T321-L340 WeakPolarHBondContact OG1-CD1 3.47Å; T321-W365 HydrophobicContact CG2-CZ3 4.48Å
322V97.7Very high98Very high0 Ų022.6 Ų22.60%013%0.134CC..THydrogen-bonded Turntrans42.437.2179.4-67.10000113.8E45 D318 D319 N324 Q346E45-V322 HydrophobicContact CG-CB 4.12Å; E45-V322 HydrophobicContact CG-CG1 3.69Å; D318-V322 WeakPolarHBondContact O-CA 3.45Å; D318-V322 PolarHBondContact O-N 3.43Å; D319-V322 WeakPolarHBondContact O-CG1 3.4Å; V322-N324 HydrophobicContact CG2-CB 3.82Å; V322-N324 PolarHBondContact O-N 3.45Å; V322-Q346 VanDerWaalsContact C-OE1 3.29Å; V322-Q346 HydrophobicContact CB-CB 4.4Å; V322-Q346 WeakPolarHBondContact O-CB 3.16Å
323T98.4Very high98.1Very high0 Ų025.4 Ų25.40%013%0.131CC..THydrogen-bonded Turntrans53.221.5-174.8-47.70000113.4T321 L341 L342 K343 Q346 I347 A356T321-T323 PolarHBondContact O-N 2.71Å; T323-L341 PolarHBondContact OG1-O 3.06Å; T323-L342 HydrophobicContact CG2-CG 3.98Å; T323-K343 PolarHBondContact OG1-N 2.82Å; T323-K343 PolarHBondContact OG1-O 2.84Å; T323-Q346 PolarHBondContact OG1-OE1 3.33Å; T323-I347 HydrophobicContact CG2-CB 4.21Å; T323-I347 HydrophobicContact CG2-CG2 3.9Å; T323-A356 HydrophobicContact CG2-CB 3.92Å
324N97.2Very high98.1Very high32 Ų3227.3 Ų27.317%0.17114%0.14CC..  trans-99.5119.5-173.9-176.1-45.6000111T321 V322 K326 R327 I328 I347T321-N324 WeakPolarHBondContact O-CB 3.42Å; T321-N324 PolarHBondContact O-N 3.41Å; V322-N324 HydrophobicContact CG2-CB 3.82Å; V322-N324 PolarHBondContact O-N 3.45Å; N324-K326 PolarHBondContact O-N 2.82Å; N324-K326 WeakPolarHBondContact OD1-CB 3.47Å; N324-K326 PolarHBondContact OD1-N 3.02Å; N324-R327 PolarHBondContact O-N 3.32Å; N324-I328 WeakPolarHBondContact O-CG1 3.39Å; N324-I328 PolarHBondContact O-N 3.34Å; N324-I347 HydrophobicContact CB-CD1 4.17Å
325P95.4Very high98Very high38 Ų3834.8 Ų34.825%0.24717%0.172CC..Hα-helixtrans-52.5-33.2-178.9-30.236.5000115.3A329 L359P325-A329 VanDerWaalsContact O-CB 3.31Å; P325-A329 WeakPolarHBondContact O-CB 3.17Å; P325-A329 PolarHBondContact O-N 3.25Å; P325-L359 HydrophobicContact CB-CD2 4.09Å; P325-L359 WeakPolarHBondContact O-CD2 3.48Å
326K96.3Very high98Very high136 Ų13634.8 Ų34.859%0.59117%0.172SC*.Hα-helixtrans-67.7-44.7178.1-63.6-177.5-177.9177.50111.8E101 N324 A329 K330E101-K326 IonicContact OE1-NZ 3.47Å; E101-K326 PolarHBondContact OE1-NZ 2.69Å; N324-K326 PolarHBondContact O-N 2.82Å; N324-K326 WeakPolarHBondContact OD1-CB 3.47Å; N324-K326 PolarHBondContact OD1-N 3.02Å; K326-A329 PolarHBondContact O-N 3.14Å; K326-K330 PolarHBondContact O-N 2.87Å; K326-K330 VanDerWaalsContact O-N 3.12Å
327R98.2Very high98Very high30 Ų3034.9 Ų34.911%0.11317%0.173CC..Hα-helixtrans-73.4-36.6178.6-65.7-163.473.697.8-8.4111.6Y44 Q298 D299 W301 L320 N324 A329 K330 A331Y44-R327 VanDerWaalsContact CD2-NH1 3.28Å; Y44-R327 VanDerWaalsContact CE1-NH1 3.29Å; Q298-R327 PolarHBondContact O-NH2 3.08Å; D299-R327 IonicContact OD1-CZ 2.85Å; D299-R327 IonicContact OD1-NH1 2.64Å; D299-R327 IonicContact OD1-NH2 3.97Å; D299-R327 PolarHBondContact OD1-NH2 3.48Å; W301-R327 VanDerWaalsContact CZ2-NH2 3.32Å; L320-R327 PolarHBondContact O-NE 2.61Å; N324-R327 PolarHBondContact O-N 3.32Å; R327-A329 PolarHBondContact O-N 2.56Å; R327-K330 PolarHBondContact O-N 2.88Å; R327-A331 WeakPolarHBondContact O-CB 3.44Å; R327-A331 PolarHBondContact O-N 3.26Å
328I98.6Very high98Very high0 Ų036.6 Ų36.60%018%0.182CC..Hα-helixtrans-57.8-49.2171.1-64.7165.1000110.2T321 N324 K330 A331 V332 L340 A356 L359T321-I328 HydrophobicContact CG2-CG1 4.36Å; N324-I328 WeakPolarHBondContact O-CG1 3.39Å; N324-I328 PolarHBondContact O-N 3.34Å; I328-K330 VanDerWaalsContact C-N 3.31Å; I328-K330 PolarHBondContact O-N 3.35Å; I328-A331 PolarHBondContact O-N 3.07Å; I328-V332 HydrophobicContact CG2-CG2 4.32Å; I328-V332 WeakPolarHBondContact O-CB 3.35Å; I328-V332 WeakPolarHBondContact O-CG2 3.41Å; I328-V332 PolarHBondContact O-N 2.74Å; I328-L340 HydrophobicContact CD1-CD1 3.89Å; I328-L340 HydrophobicContact CD1-CD2 3.81Å; I328-L340 HydrophobicContact CD1-CG 4.48Å; I328-L340 HydrophobicContact CG1-CD1 4.07Å; I328-A356 HydrophobicContact CD1-CB 3.63Å; I328-L359 HydrophobicContact CB-CD2 3.94Å; I328-L359 HydrophobicContact CG2-CD2 3.67Å; I328-L359 HydrophobicContact CG2-CG 3.84Å
329A98.1Very high98.1Very high37 Ų3736.4 Ų36.431%0.30618%0.181SC..Hα-helixtrans-59.5-40.7178.200000112.4P325 K326 R327 N333P325-A329 VanDerWaalsContact O-CB 3.31Å; P325-A329 WeakPolarHBondContact O-CB 3.17Å; P325-A329 PolarHBondContact O-N 3.25Å; K326-A329 PolarHBondContact O-N 3.14Å; R327-A329 PolarHBondContact O-N 2.56Å; A329-N333 WeakPolarHBondContact O-CB 3.46Å; A329-N333 VanDerWaalsContact O-CG 3.22Å; A329-N333 PolarHBondContact O-N 2.68Å; A329-N333 PolarHBondContact O-ND2 2.84Å
330K98.5Very high98.1Very high79 Ų7936.3 Ų36.334%0.34318%0.18SC..Hα-helixtrans-61.5-49.5173.4-176.3177.9173.1-1690111.6W301 K326 R327 I328 V332 N333 E334W301-K330 HydrophobicContact CD2-CD 4.37Å; W301-K330 VanDerWaalsContact CE2-CE 3.44Å; W301-K330 HydrophobicContact CE3-CD 4.45Å; W301-K330 HydrophobicContact CE3-CG 4.4Å; W301-K330 HydrophobicContact CH2-CB 4.07Å; W301-K330 HydrophobicContact CH2-CD 3.66Å; W301-K330 HydrophobicContact CH2-CG 3.76Å; W301-K330 HydrophobicContact CZ2-CD 3.51Å; W301-K330 HydrophobicContact CZ2-CG 4.15Å; W301-K330 HydrophobicContact CZ3-CB 4.44Å; W301-K330 HydrophobicContact CZ3-CD 4.15Å; W301-K330 HydrophobicContact CZ3-CG 3.91Å; K326-K330 PolarHBondContact O-N 2.87Å; K326-K330 VanDerWaalsContact O-N 3.12Å; R327-K330 PolarHBondContact O-N 2.88Å; I328-K330 VanDerWaalsContact C-N 3.31Å; I328-K330 PolarHBondContact O-N 3.35Å; K330-V332 VanDerWaalsContact C-N 3.32Å; K330-V332 PolarHBondContact O-N 3.17Å; K330-N333 PolarHBondContact O-N 2.67Å; K330-N333 VanDerWaalsContact O-N 3.14Å; K330-E334 WeakPolarHBondContact CE-OE1 3.26Å; K330-E334 HydrophobicContact CG-CG 4.45Å; K330-E334 IonicContact NZ-OE1 3.72Å; K330-E334 WeakPolarHBondContact O-CB 3.29Å; K330-E334 PolarHBondContact O-N 3.07Å
331A98.7Very high98.1Very high0 Ų036.3 Ų36.30%018%0.18CC..Hα-helixtrans-66.3-31.5-178.400000113.6W301 L320 T321 R327 I328 K335 S336 W365W301-A331 HydrophobicContact CH2-CB 4.08Å; W301-A331 HydrophobicContact CZ3-CB 3.7Å; L320-A331 HydrophobicContact CD2-CB 4.17Å; T321-A331 HydrophobicContact CG2-CB 4.14Å; R327-A331 WeakPolarHBondContact O-CB 3.44Å; R327-A331 PolarHBondContact O-N 3.26Å; I328-A331 PolarHBondContact O-N 3.07Å; A331-K335 WeakPolarHBondContact O-CA 3Å; A331-K335 PolarHBondContact O-N 3.36Å; A331-S336 PolarHBondContact O-N 2.67Å; A331-W365 HydrophobicContact CB-CH2 3.58Å; A331-W365 HydrophobicContact CB-CZ2 4.38Å; A331-W365 HydrophobicContact CB-CZ3 4.49Å
332V98.4Very high98.2Very high24 Ų2436.3 Ų36.315%0.14518%0.181CC..Hα-helixtrans-62.7-52.2167.9165.70000110.8I328 K330 E334 K335 N363 W365I328-V332 HydrophobicContact CG2-CG2 4.32Å; I328-V332 WeakPolarHBondContact O-CB 3.35Å; I328-V332 WeakPolarHBondContact O-CG2 3.41Å; I328-V332 PolarHBondContact O-N 2.74Å; K330-V332 VanDerWaalsContact C-N 3.32Å; K330-V332 PolarHBondContact O-N 3.17Å; V332-E334 VanDerWaalsContact C-N 3.3Å; V332-E334 PolarHBondContact O-N 3.26Å; V332-K335 PolarHBondContact O-N 3.08Å; V332-K335 VanDerWaalsContact O-N 3.13Å; V332-N363 HydrophobicContact CG1-CB 3.89Å; V332-N363 VanDerWaalsContact CG1-CG 3.5Å; V332-N363 VanDerWaalsContact CG1-OD1 3.32Å; V332-N363 WeakPolarHBondContact CG1-OD1 3.35Å; V332-N363 HydrophobicContact CG2-CB 3.87Å; V332-W365 HydrophobicContact CB-CZ2 4.24Å; V332-W365 HydrophobicContact CG2-CD2 4.23Å; V332-W365 HydrophobicContact CG2-CH2 4.03Å; V332-W365 HydrophobicContact CG2-CZ2 3.6Å
333N98.2Very high98.2Very high133 Ų13336.9 Ų36.971%0.71118%0.183SC*.Hα-helixtrans-62.2-39.1-177.8-72.5-23.1000112.3A329 K330 K335A329-N333 WeakPolarHBondContact O-CB 3.46Å; A329-N333 VanDerWaalsContact O-CG 3.22Å; A329-N333 PolarHBondContact O-N 2.68Å; A329-N333 PolarHBondContact O-ND2 2.84Å; K330-N333 PolarHBondContact O-N 2.67Å; K330-N333 VanDerWaalsContact O-N 3.14Å; N333-K335 VanDerWaalsContact C-N 3.34Å
334E98Very high98.2Very high57 Ų5737.2 Ų37.227%0.26619%0.185SC..Hα-helixtrans-82.1-12.4178.9-70-170.3-16100113W301 Q305 K330 V332 S336W301-E334 WeakPolarHBondContact CB-OE2 3.34Å; W301-E334 HydrophobicContact CE3-CB 4.49Å; Q305-E334 HydrophobicContact CG-CB 4.22Å; Q305-E334 VanDerWaalsContact CG-O 3.24Å; Q305-E334 WeakPolarHBondContact CG-O 3.17Å; Q305-E334 PolarHBondContact NE2-OE2 3.33Å; K330-E334 WeakPolarHBondContact CE-OE1 3.26Å; K330-E334 HydrophobicContact CG-CG 4.45Å; K330-E334 IonicContact NZ-OE1 3.72Å; K330-E334 WeakPolarHBondContact O-CB 3.29Å; K330-E334 PolarHBondContact O-N 3.07Å; V332-E334 VanDerWaalsContact C-N 3.3Å; V332-E334 PolarHBondContact O-N 3.26Å; E334-S336 VanDerWaalsContact C-N 3.26Å; E334-S336 VanDerWaalsContact CB-OG 3.3Å; E334-S336 WeakPolarHBondContact CB-OG 3.14Å; E334-S336 PolarHBondContact O-N 3.05Å
335K98.2Very high98.2Very high157 Ų15736.2 Ų36.268%0.68318%0.18SC*.THydrogen-bonded Turntrans58.538.5-173.3-49.5-174.1179.4-163.10112.5T308 A331 V332 N333T308-K335 WeakPolarHBondContact CG2-O 3.42Å; A331-K335 WeakPolarHBondContact O-CA 3Å; A331-K335 PolarHBondContact O-N 3.36Å; V332-K335 PolarHBondContact O-N 3.08Å; V332-K335 VanDerWaalsContact O-N 3.13Å; N333-K335 VanDerWaalsContact C-N 3.34Å
336S98.6Very high98.4Very high0 Ų034.5 Ų34.50%017%0.168CC..  trans-73.9-31.8-173.7-570000112.7W301 W304 T308 A331 E334W301-S336 VanDerWaalsContact CE3-OG 3.28Å; W304-S336 VanDerWaalsContact CE3-O 3.31Å; T308-S336 WeakPolarHBondContact CB-O 3.37Å; T308-S336 PolarHBondContact OG1-O 2.93Å; A331-S336 PolarHBondContact O-N 2.67Å; E334-S336 VanDerWaalsContact C-N 3.26Å; E334-S336 VanDerWaalsContact CB-OG 3.3Å; E334-S336 WeakPolarHBondContact CB-OG 3.14Å; E334-S336 PolarHBondContact O-N 3.05Å
337C98.8Very high98.4Very high3 Ų328.4 Ų28.42%0.0214%0.142CC..  trans-148.7-177.5174.364.70000110.1W304 V315 L320 W365W304-C337 HydrophobicContact CE3-CB 4.02Å; W304-C337 HydrophobicContact CZ3-CB 3.79Å; V315-C337 HydrophobicContact CB-CB 4.31Å; V315-C337 HydrophobicContact CG1-CB 3.98Å; V315-C337 WeakPolarHBondContact O-CB 3.41Å; L320-C337 HydrophobicContact CD2-CB 4.46Å; C337-W365 VanDerWaalsContact O-CE2 3.25Å; C337-W365 WeakPolarHBondContact O-CZ2 3.39Å; C337-W365 PolarHBondContact O-NE1 3.22Å; C337-W365 WeakPolarHBondContact SG-CH2 3.37Å; C337-W365 WeakPolarHBondContact SG-CZ3 3.1Å
338N98.7Very high98.4Very high36 Ų3627 Ų2719%0.19314%0.137CC..SBendtrans-139.114.4-178.965.732.6000113.5I313 Q314 V315 W365 G366 R429I313-N338 PolarHBondContact O-ND2 3.19Å; Q314-N338 WeakPolarHBondContact CA-OD1 3.46Å; V315-N338 PolarHBondContact N-OD1 3.08Å; V315-N338 PolarHBondContact O-N 3.1Å; V315-N338 PolarHBondContact O-OD1 2.82Å; N338-W365 VanDerWaalsContact O-CA 3.31Å; N338-W365 WeakPolarHBondContact O-CA 3.16Å; N338-W365 WeakPolarHBondContact O-CB 3.22Å; N338-G366 PolarHBondContact O-N 3.01Å; N338-R429 PolarHBondContact ND2-NH2 3.5Å; N338-R429 PolarHBondContact OD1-NH2 3.23Å
339C98.9Very high98.4Very high0 Ų027 Ų270%014%0.137CC..EExtended strand (participates in β ladder)trans-149.3139.1173.4-178.40000109.3Q314 V315 V316 G317 G366Q314-C339 VanDerWaalsContact CD-SG 3.54Å; Q314-C339 HydrophobicContact CG-CB 3.48Å; Q314-C339 VanDerWaalsContact CG-CB 3.48Å; V315-C339 PolarHBondContact O-N 3.09Å; V316-C339 CarbonylContact C-O 3.45Å; V316-C339 WeakPolarHBondContact CA-O 3.45Å; V316-C339 HydrophobicContact CB-CB 4.32Å; V316-C339 HydrophobicContact CG1-CB 4.37Å; V316-C339 HydrophobicContact CG2-CB 3.95Å; G317-C339 PolarHBondContact N-O 3.13Å; C339-G366 CarbonylContact C-O 3.56Å; C339-G366 VanDerWaalsContact CA-O 3.24Å; C339-G366 WeakPolarHBondContact CA-O 3.23Å; C339-G366 VanDerWaalsContact SG-C 3.53Å; C339-G366 PolarHBondContact SG-O 3.1Å
340L98.9Very high98.5Very high0 Ų025.2 Ų25.20%012%0.122CC..EExtended strand (participates in β ladder)trans-92.9131.3172.1167.665000109.3T321 I328 L342 A356 A360 W365 G366 V367 M368T321-L340 WeakPolarHBondContact OG1-CD1 3.47Å; I328-L340 HydrophobicContact CD1-CD1 3.89Å; I328-L340 HydrophobicContact CD1-CD2 3.81Å; I328-L340 HydrophobicContact CD1-CG 4.48Å; I328-L340 HydrophobicContact CG1-CD1 4.07Å; L340-L342 HydrophobicContact CD2-CB 4.42Å; L340-L342 HydrophobicContact CG-CB 4.44Å; L340-A356 HydrophobicContact CD2-CB 4.16Å; L340-A360 HydrophobicContact CB-CB 3.88Å; L340-A360 HydrophobicContact CD2-CB 4Å; L340-W365 HydrophobicContact CB-CE3 4.47Å; L340-G366 PolarHBondContact N-O 3.17Å; L340-V367 HydrophobicContact CB-CG2 4.32Å; L340-V367 HydrophobicContact CD2-CG1 4.37Å; L340-V367 HydrophobicContact CG-CG1 4.5Å; L340-V367 CarbonylContact O-C 3.57Å; L340-V367 WeakPolarHBondContact O-CA 3.16Å; L340-M368 PolarHBondContact O-N 2.88Å
341L98.8Very high98.5Very high0 Ų022.2 Ų22.20%011%0.111CC..EExtended strand (participates in β ladder)trans-82.7120.5157.6-160.382.2000109.6E293 V316 G317 D318 T323 K343 M368 K394E293-L341 WeakPolarHBondContact OE1-CD2 3.47Å; E293-L341 WeakPolarHBondContact OE2-CD1 3.39Å; V316-L341 HydrophobicContact CG1-CB 3.76Å; V316-L341 HydrophobicContact CG1-CD1 4.12Å; G317-L341 PolarHBondContact O-N 3.45Å; D318-L341 HydrophobicContact CB-CB 3.84Å; D318-L341 HydrophobicContact CB-CD2 3.7Å; D318-L341 HydrophobicContact CB-CG 4.41Å; D318-L341 WeakPolarHBondContact OD1-CD2 3.45Å; T323-L341 PolarHBondContact OG1-O 3.06Å; L341-K343 HydrophobicContact CD2-CD 3.86Å; L341-K343 HydrophobicContact CD2-CG 4.05Å; L341-M368 WeakPolarHBondContact CA-O 3.19Å; L341-M368 HydrophobicContact CD1-CB 3.94Å; L341-M368 HydrophobicContact CD1-CG 3.9Å; L341-M368 HydrophobicContact CD1-SD 3.91Å; L341-K394 HydrophobicContact CD1-CD 3.76Å; L341-K394 VanDerWaalsContact CD1-CE 3.5Å; L341-K394 HydrophobicContact CD1-CG 4.13Å; L341-K394 VanDerWaalsContact CD2-CE 3.49Å
342L98.8Very high98.5Very high1 Ų123.8 Ų23.81%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-102.7106.1-177.1-170.8158.2000110.1T323 L340 V344 S353 C357 V367 M368 S370 L384 L388T323-L342 HydrophobicContact CG2-CG 3.98Å; L340-L342 HydrophobicContact CD2-CB 4.42Å; L340-L342 HydrophobicContact CG-CB 4.44Å; L342-V344 HydrophobicContact CD2-CG1 3.9Å; L342-S353 WeakPolarHBondContact CD1-O 3.47Å; L342-C357 HydrophobicContact CD1-CB 3.62Å; L342-V367 HydrophobicContact CB-CG1 3.72Å; L342-V367 HydrophobicContact CD1-CG1 3.89Å; L342-V367 HydrophobicContact CG-CG1 4.49Å; L342-M368 PolarHBondContact N-O 3.14Å; L342-S370 PolarHBondContact O-N 3.23Å; L342-L384 HydrophobicContact CD2-CD2 3.86Å; L342-L388 HydrophobicContact CD1-CD1 3.94Å
343K98.7Very high98.5Very high12 Ų1222.7 Ų22.75%0.05211%0.111CC..  trans-115.1107.9173.3-71.4166.9166.8164.40108.7D318 T323 L341 N345 Q346D318-K343 WeakPolarHBondContact OD1-CD 3.46Å; D318-K343 IonicContact OD1-NZ 3.88Å; D318-K343 PolarHBondContact OD1-NZ 2.87Å; D318-K343 IonicContact OD2-NZ 2.81Å; D318-K343 PolarHBondContact OD2-NZ 3.1Å; T323-K343 PolarHBondContact OG1-N 2.82Å; T323-K343 PolarHBondContact OG1-O 2.84Å; L341-K343 HydrophobicContact CD2-CD 3.86Å; L341-K343 HydrophobicContact CD2-CG 4.05Å; K343-N345 PolarHBondContact O-N 3.45Å; K343-Q346 HydrophobicContact CB-CB 4.25Å; K343-Q346 HydrophobicContact CB-CG 3.58Å; K343-Q346 VanDerWaalsContact CD-CD 3.43Å; K343-Q346 HydrophobicContact CD-CG 3.95Å; K343-Q346 HydrophobicContact CG-CG 4.42Å; K343-Q346 WeakPolarHBondContact O-CB 3.47Å; K343-Q346 PolarHBondContact O-N 3.37Å
344V98.4Very high98.5Very high7 Ų716.8 Ų16.84%0.0428%0.08CC..Hα-helixtrans-57.1-28.9-173.4-63.10000114L112 L342 G348 S353 L384L112-V344 HydrophobicContact CD1-CB 4.15Å; L112-V344 HydrophobicContact CD1-CG2 4.2Å; L112-V344 HydrophobicContact CD2-CB 4.46Å; L112-V344 HydrophobicContact CD2-CG2 3.89Å; L342-V344 HydrophobicContact CD2-CG1 3.9Å; V344-G348 PolarHBondContact O-N 3.17Å; V344-S353 WeakPolarHBondContact CA-OG 3.38Å; V344-L384 HydrophobicContact CG1-CD2 3.46Å; V344-L384 VanDerWaalsContact CG1-CD2 3.46Å
345N97.8Very high98.5Very high11 Ų1118.2 Ų18.26%0.0599%0.087CC..Hα-helixtrans-81.3-17179.478.2-39.3000113.9V35 P36 L112 K343 I347 R372V35-N345 HydrophobicContact CG1-CB 4.46Å; P36-N345 HydrophobicContact CG-CB 4.29Å; P36-N345 PolarHBondContact O-ND2 2.97Å; L112-N345 VanDerWaalsContact CD2-CA 3.45Å; L112-N345 HydrophobicContact CD2-CB 3.44Å; L112-N345 VanDerWaalsContact CD2-CB 3.44Å; K343-N345 PolarHBondContact O-N 3.45Å; N345-I347 VanDerWaalsContact C-N 3.27Å; N345-I347 PolarHBondContact O-N 3.37Å; N345-R372 PolarHBondContact ND2-NH1 2.92Å; N345-R372 VanDerWaalsContact OD1-CD 3.27Å; N345-R372 WeakPolarHBondContact OD1-CD 3.31Å; N345-R372 WeakPolarHBondContact OD1-CG 3.44Å; N345-R372 PolarHBondContact OD1-NH1 3.14Å
346Q97.8Very high98.5Very high1 Ų110.8 Ų10.81%0.0055%0.054CC..Hα-helixtrans-68.5-28.5172.6-68.2-173.9-40.900112E45 A46 D318 V322 T323 K343E45-Q346 VanDerWaalsContact CD-CG 3.48Å; E45-Q346 HydrophobicContact CG-CB 4.12Å; E45-Q346 HydrophobicContact CG-CG 3.76Å; E45-Q346 PolarHBondContact OE1-NE2 3.42Å; A46-Q346 WeakPolarHBondContact CB-O 3.49Å; A46-Q346 PolarHBondContact N-O 2.93Å; D318-Q346 PolarHBondContact OD1-NE2 3.37Å; V322-Q346 VanDerWaalsContact C-OE1 3.29Å; V322-Q346 HydrophobicContact CB-CB 4.4Å; V322-Q346 WeakPolarHBondContact O-CB 3.16Å; T323-Q346 PolarHBondContact OG1-OE1 3.33Å; K343-Q346 HydrophobicContact CB-CB 4.25Å; K343-Q346 HydrophobicContact CB-CG 3.58Å; K343-Q346 VanDerWaalsContact CD-CD 3.43Å; K343-Q346 HydrophobicContact CD-CG 3.95Å; K343-Q346 HydrophobicContact CG-CG 4.42Å; K343-Q346 WeakPolarHBondContact O-CB 3.47Å; K343-Q346 PolarHBondContact O-N 3.37Å
347I98.2Very high98.5Very high8 Ų810.8 Ų10.84%0.0415%0.054CC..Hα-helixtrans-106.4-28.8176.8-160.256.5000113.1K103 T323 N324 N345 E352 S353K103-I347 WeakPolarHBondContact CD-O 3.38Å; K103-I347 WeakPolarHBondContact CE-O 3.15Å; K103-I347 PolarHBondContact NZ-O 3.46Å; T323-I347 HydrophobicContact CG2-CB 4.21Å; T323-I347 HydrophobicContact CG2-CG2 3.9Å; N324-I347 HydrophobicContact CB-CD1 4.17Å; N345-I347 VanDerWaalsContact C-N 3.27Å; N345-I347 PolarHBondContact O-N 3.37Å; I347-E352 HydrophobicContact CB-CB 4.42Å; I347-E352 HydrophobicContact CG1-CB 3.53Å; I347-E352 HydrophobicContact CG1-CG 4.32Å; I347-E352 HydrophobicContact CG2-CB 4Å; I347-S353 VanDerWaalsContact CG2-OG 3.31Å; I347-S353 WeakPolarHBondContact CG2-OG 3.49Å
348G98.1Very high98.4Very high0 Ų015 Ų150%07%0.072CC..  trans92.76.4166.600000116.5I111 L112 V344I111-G348 WeakPolarHBondContact CG2-O 3.38Å; L112-G348 WeakPolarHBondContact CA-O 3.34Å; L112-G348 PolarHBondContact N-O 2.77Å; V344-G348 PolarHBondContact O-N 3.17Å
349S98.8Very high98.4Very high0 Ų015.8 Ų15.80%08%0.076CC..SBendtrans-149.3154.3169.974.60000112.3E352 S353S349-E352 WeakPolarHBondContact CB-OE2 3.36Å; S349-E352 WeakPolarHBondContact OG-CB 3.45Å; S349-E352 VanDerWaalsContact OG-CG 3.3Å; S349-E352 WeakPolarHBondContact OG-CG 3.36Å; S349-E352 PolarHBondContact OG-N 3.12Å; S349-E352 VanDerWaalsContact OG-N 3.12Å; S349-E352 PolarHBondContact OG-OE2 3.11Å; S349-S353 WeakPolarHBondContact O-CB 3.32Å; S349-S353 PolarHBondContact O-N 3.02Å; S349-S353 VanDerWaalsContact O-N 3.16Å; S349-S353 PolarHBondContact O-OG 3.13Å
350V98.8Very high98.4Very high1 Ų115.8 Ų15.81%0.0068%0.076CC..Hα-helixtrans-62.1-47.3173.9174.70000109.7Q87 S115 L116 C119 E352 S353 L354 F380Q87-V350 HydrophobicContact CG-CB 4.36Å; Q87-V350 HydrophobicContact CG-CG1 4.27Å; S115-V350 WeakPolarHBondContact OG-CG2 3.43Å; S115-V350 PolarHBondContact OG-N 2.74Å; L116-V350 HydrophobicContact CD2-CG2 3.7Å; L116-V350 HydrophobicContact CG-CG2 4.48Å; C119-V350 HydrophobicContact CB-CG2 4.31Å; V350-E352 PolarHBondContact O-N 3.31Å; V350-S353 WeakPolarHBondContact O-CB 3.19Å; V350-S353 PolarHBondContact O-N 2.94Å; V350-S353 VanDerWaalsContact O-N 3.11Å; V350-L354 HydrophobicContact CG1-CD1 4.2Å; V350-L354 HydrophobicContact CG1-CG 4.19Å; V350-L354 WeakPolarHBondContact O-CG 3.46Å; V350-L354 PolarHBondContact O-N 3.44Å; V350-F380 HydrophobicContact CG1-CZ 4.4Å; V350-F380 HydrophobicContact CG2-CE1 4.31Å; V350-F380 HydrophobicContact CG2-CZ 3.74Å
351T98.7Very high98.3Very high16 Ų1618.5 Ų18.510%0.0989%0.089CC..Hα-helixtrans-56.3-50.2-178.7-65.40000112.6E88 D91 S353 L354 Q355E88-T351 WeakPolarHBondContact CA-OG1 3.24Å; E88-T351 HydrophobicContact CB-CG2 4.24Å; E88-T351 HydrophobicContact CG-CG2 4.04Å; D91-T351 WeakPolarHBondContact CB-OG1 3.42Å; D91-T351 WeakPolarHBondContact OD2-CB 3.2Å; D91-T351 PolarHBondContact OD2-N 2.88Å; D91-T351 PolarHBondContact OD2-OG1 3.35Å; T351-S353 VanDerWaalsContact C-N 3.28Å; T351-S353 PolarHBondContact O-N 3.21Å; T351-L354 PolarHBondContact O-N 3.15Å; T351-Q355 WeakPolarHBondContact O-CG 3.28Å; T351-Q355 PolarHBondContact O-N 3.19Å
352E98.6Very high98.2Very high32 Ų3222.6 Ų22.615%0.1512%0.123CC..Hα-helixtrans-66.8-32.3179.2-67.8164.2107.900111.6I95 K103 I347 S349 V350 Q355 A356I95-E352 HydrophobicContact CD1-CG 4.13Å; I95-E352 VanDerWaalsContact CD1-OE2 3.27Å; I95-E352 WeakPolarHBondContact CD1-OE2 3.31Å; K103-E352 WeakPolarHBondContact CE-OE2 3.39Å; K103-E352 IonicContact NZ-OE1 3.42Å; K103-E352 PolarHBondContact NZ-OE1 3.03Å; K103-E352 IonicContact NZ-OE2 3.65Å; K103-E352 PolarHBondContact NZ-OE2 3.22Å; I347-E352 HydrophobicContact CB-CB 4.42Å; I347-E352 HydrophobicContact CG1-CB 3.53Å; I347-E352 HydrophobicContact CG1-CG 4.32Å; I347-E352 HydrophobicContact CG2-CB 4Å; S349-E352 WeakPolarHBondContact CB-OE2 3.36Å; S349-E352 WeakPolarHBondContact OG-CB 3.45Å; S349-E352 VanDerWaalsContact OG-CG 3.3Å; S349-E352 WeakPolarHBondContact OG-CG 3.36Å; S349-E352 PolarHBondContact OG-N 3.12Å; S349-E352 VanDerWaalsContact OG-N 3.12Å; S349-E352 PolarHBondContact OG-OE2 3.11Å; V350-E352 PolarHBondContact O-N 3.31Å; E352-Q355 PolarHBondContact O-N 3.44Å; E352-A356 WeakPolarHBondContact O-CB 3.43Å; E352-A356 PolarHBondContact O-N 3.44Å
353S98.7Very high98.1Very high1 Ų126.2 Ų26.21%0.00714%0.142CC..Hα-helixtrans-64.6-43.3173.8-56.90000112.1L342 V344 I347 S349 V350 T351 Q355 A356 C357L342-S353 WeakPolarHBondContact CD1-O 3.47Å; V344-S353 WeakPolarHBondContact CA-OG 3.38Å; I347-S353 VanDerWaalsContact CG2-OG 3.31Å; I347-S353 WeakPolarHBondContact CG2-OG 3.49Å; S349-S353 WeakPolarHBondContact O-CB 3.32Å; S349-S353 PolarHBondContact O-N 3.02Å; S349-S353 VanDerWaalsContact O-N 3.16Å; S349-S353 PolarHBondContact O-OG 3.13Å; V350-S353 WeakPolarHBondContact O-CB 3.19Å; V350-S353 PolarHBondContact O-N 2.94Å; V350-S353 VanDerWaalsContact O-N 3.11Å; T351-S353 VanDerWaalsContact C-N 3.28Å; T351-S353 PolarHBondContact O-N 3.21Å; S353-Q355 VanDerWaalsContact C-N 3.32Å; S353-Q355 PolarHBondContact O-N 2.9Å; S353-A356 PolarHBondContact O-N 3.13Å; S353-C357 PolarHBondContact O-N 3.12Å
354L98.4Very high98Very high10 Ų1028.2 Ų28.25%0.05217%0.166CC..Hα-helixtrans-63.4-39.5174.8-60.5-178.3000111.1I134 L137 V350 T351 C357 K358 L384 L388I134-L354 HydrophobicContact CG2-CD2 4.21Å; L137-L354 HydrophobicContact CB-CD1 3.55Å; L137-L354 HydrophobicContact CD1-CD1 4.33Å; V350-L354 HydrophobicContact CG1-CD1 4.2Å; V350-L354 HydrophobicContact CG1-CG 4.19Å; V350-L354 WeakPolarHBondContact O-CG 3.46Å; V350-L354 PolarHBondContact O-N 3.44Å; T351-L354 PolarHBondContact O-N 3.15Å; L354-C357 PolarHBondContact O-N 3.39Å; L354-K358 WeakPolarHBondContact O-CB 3.28Å; L354-K358 VanDerWaalsContact O-CG 3.32Å; L354-K358 WeakPolarHBondContact O-CG 2.86Å; L354-K358 PolarHBondContact O-N 3.04Å; L354-L384 HydrophobicContact CD2-CD1 4.18Å; L354-L388 HydrophobicContact CD2-CD1 4.46Å; L354-L388 HydrophobicContact CD2-CD2 3.42Å; L354-L388 VanDerWaalsContact CD2-CD2 3.42Å; L354-L388 HydrophobicContact CD2-CG 4.14Å
355Q98.1Very high98Very high87 Ų8728.8 Ų28.841%0.40717%0.168SC..Hα-helixtrans-65.3-42.4176.4-70.7170.2-5.900111.9T351 E352 S353 K358 L359T351-Q355 WeakPolarHBondContact O-CG 3.28Å; T351-Q355 PolarHBondContact O-N 3.19Å; E352-Q355 PolarHBondContact O-N 3.44Å; S353-Q355 VanDerWaalsContact C-N 3.32Å; S353-Q355 PolarHBondContact O-N 2.9Å; Q355-K358 PolarHBondContact O-N 3.08Å; Q355-L359 WeakPolarHBondContact O-CB 3.24Å; Q355-L359 PolarHBondContact O-N 3.47Å
356A98.6Very high98Very high0 Ų028.4 Ų28.40%017%0.166CC..Hα-helixtrans-60.6-45.6174.500000111.8T323 I328 L340 E352 S353 L359 A360T323-A356 HydrophobicContact CG2-CB 3.92Å; I328-A356 HydrophobicContact CD1-CB 3.63Å; L340-A356 HydrophobicContact CD2-CB 4.16Å; E352-A356 WeakPolarHBondContact O-CB 3.43Å; E352-A356 PolarHBondContact O-N 3.44Å; S353-A356 PolarHBondContact O-N 3.13Å; A356-L359 PolarHBondContact O-N 3.46Å; A356-A360 PolarHBondContact O-N 3.45Å
357C98.4Very high98.1Very high0 Ų028.4 Ų28.40%017%0.166CC..Hα-helixtrans-58.2-50.2174.3-172.40000111.8L342 S353 L354 L359 A360 Q361 L388L342-C357 HydrophobicContact CD1-CB 3.62Å; S353-C357 PolarHBondContact O-N 3.12Å; L354-C357 PolarHBondContact O-N 3.39Å; C357-L359 VanDerWaalsContact C-N 3.32Å; C357-L359 PolarHBondContact O-N 2.96Å; C357-A360 PolarHBondContact O-N 2.9Å; C357-Q361 WeakPolarHBondContact O-CG 3.29Å; C357-Q361 PolarHBondContact O-N 3.28Å; C357-Q361 PolarHBondContact SG-OE1 3.13Å; C357-L388 HydrophobicContact CB-CD1 4.04Å; C357-L388 HydrophobicContact CB-CD2 4.04Å
358K97.1Very high98.1Very high91 Ų9128.1 Ų28.140%0.39617%0.165SC..Hα-helixtrans-59.1-43.2178.7-76.8175.7179.41780111.7L137 A138 L354 Q355 A362L137-K358 PolarHBondContact O-NZ 2.78Å; A138-K358 WeakPolarHBondContact O-CE 3.31Å; A138-K358 PolarHBondContact O-NZ 3.33Å; L354-K358 WeakPolarHBondContact O-CB 3.28Å; L354-K358 VanDerWaalsContact O-CG 3.32Å; L354-K358 WeakPolarHBondContact O-CG 2.86Å; L354-K358 PolarHBondContact O-N 3.04Å; Q355-K358 PolarHBondContact O-N 3.08Å; K358-A362 WeakPolarHBondContact O-CB 3.49Å; K358-A362 PolarHBondContact O-N 3.5Å
359L97.9Very high98.1Very high53 Ų5328.1 Ų28.128%0.27717%0.165SC..Hα-helixtrans-62.5-44.9178.3178.161.4000111.6P325 I328 Q355 A356 C357 N363P325-L359 HydrophobicContact CB-CD2 4.09Å; P325-L359 WeakPolarHBondContact O-CD2 3.48Å; I328-L359 HydrophobicContact CB-CD2 3.94Å; I328-L359 HydrophobicContact CG2-CD2 3.67Å; I328-L359 HydrophobicContact CG2-CG 3.84Å; Q355-L359 WeakPolarHBondContact O-CB 3.24Å; Q355-L359 PolarHBondContact O-N 3.47Å; A356-L359 PolarHBondContact O-N 3.46Å; C357-L359 VanDerWaalsContact C-N 3.32Å; C357-L359 PolarHBondContact O-N 2.96Å; L359-N363 PolarHBondContact O-N 3.35Å; L359-N363 PolarHBondContact O-ND2 3.24Å
360A98.4Very high98.1Very high0 Ų028.3 Ų28.30%017%0.166CC..Hα-helixtrans-62.6-53.3176.800000111.2L340 A356 C357 A362 N363 G364 W365 V367L340-A360 HydrophobicContact CB-CB 3.88Å; L340-A360 HydrophobicContact CD2-CB 4Å; A356-A360 PolarHBondContact O-N 3.45Å; C357-A360 PolarHBondContact O-N 2.9Å; A360-A362 VanDerWaalsContact C-N 3.34Å; A360-A362 PolarHBondContact O-N 3.42Å; A360-N363 CarbonylContact O-C 3.56Å; A360-N363 PolarHBondContact O-N 2.82Å; A360-G364 PolarHBondContact O-N 2.98Å; A360-W365 HydrophobicContact CB-CB 4.1Å; A360-W365 HydrophobicContact CB-CE3 4.38Å; A360-W365 WeakPolarHBondContact O-CB 3.39Å; A360-W365 PolarHBondContact O-N 2.99Å; A360-W365 VanDerWaalsContact O-N 3.08Å; A360-V367 HydrophobicContact CB-CG2 3.75Å
361Q96.9Very high98.1Very high58 Ų5828.4 Ų28.427%0.27117%0.166SC..Hα-helixtrans-62.2-37.7-178.6-71.5173.9-46.100112.7C357 N363 G364 V367 L388C357-Q361 WeakPolarHBondContact O-CG 3.29Å; C357-Q361 PolarHBondContact O-N 3.28Å; C357-Q361 PolarHBondContact SG-OE1 3.13Å; Q361-N363 PolarHBondContact O-N 3.43Å; Q361-G364 PolarHBondContact O-N 3.15Å; Q361-V367 HydrophobicContact CG-CG2 3.9Å; Q361-L388 PolarHBondContact NE2-O 3.09Å
362A96.4Very high98.1Very high86 Ų8627.9 Ų27.971%0.71116%0.162SC*.Hα-helixtrans-63.1-23.1175.800000113.2K358 A360K358-A362 WeakPolarHBondContact O-CB 3.49Å; K358-A362 PolarHBondContact O-N 3.5Å; A360-A362 VanDerWaalsContact C-N 3.34Å; A360-A362 PolarHBondContact O-N 3.42Å
363N97.3Very high97.9Very high76 Ų7626.5 Ų26.541%0.40616%0.157SC..THydrogen-bonded Turntrans-97.616.1175-72.3-77.2000113V332 L359 A360 Q361 W365V332-N363 HydrophobicContact CG1-CB 3.89Å; V332-N363 VanDerWaalsContact CG1-CG 3.5Å; V332-N363 VanDerWaalsContact CG1-OD1 3.32Å; V332-N363 WeakPolarHBondContact CG1-OD1 3.35Å; V332-N363 HydrophobicContact CG2-CB 3.87Å; L359-N363 PolarHBondContact O-N 3.35Å; L359-N363 PolarHBondContact O-ND2 3.24Å; A360-N363 CarbonylContact O-C 3.56Å; A360-N363 PolarHBondContact O-N 2.82Å; Q361-N363 PolarHBondContact O-N 3.43Å; N363-W365 VanDerWaalsContact C-N 3.26Å; N363-W365 PolarHBondContact O-N 2.96Å
364G96.4Very high97.8Very high54 Ų5426.5 Ų26.556%0.55716%0.156SC*.THydrogen-bonded Turntrans72.316.5177.300000114.2A360 Q361A360-G364 PolarHBondContact O-N 2.98Å; Q361-G364 PolarHBondContact O-N 3.15Å
365W98.3Very high97.8Very high20 Ų2026.3 Ų26.38%0.07616%0.155CC..  trans-84.2148.9175.5-69.316000111.5T321 A331 V332 C337 N338 L340 A360 N363T321-W365 HydrophobicContact CG2-CZ3 4.48Å; A331-W365 HydrophobicContact CB-CH2 3.58Å; A331-W365 HydrophobicContact CB-CZ2 4.38Å; A331-W365 HydrophobicContact CB-CZ3 4.49Å; V332-W365 HydrophobicContact CB-CZ2 4.24Å; V332-W365 HydrophobicContact CG2-CD2 4.23Å; V332-W365 HydrophobicContact CG2-CH2 4.03Å; V332-W365 HydrophobicContact CG2-CZ2 3.6Å; C337-W365 VanDerWaalsContact O-CE2 3.25Å; C337-W365 WeakPolarHBondContact O-CZ2 3.39Å; C337-W365 PolarHBondContact O-NE1 3.22Å; C337-W365 WeakPolarHBondContact SG-CH2 3.37Å; C337-W365 WeakPolarHBondContact SG-CZ3 3.1Å; N338-W365 VanDerWaalsContact O-CA 3.31Å; N338-W365 WeakPolarHBondContact O-CA 3.16Å; N338-W365 WeakPolarHBondContact O-CB 3.22Å; L340-W365 HydrophobicContact CB-CE3 4.47Å; A360-W365 HydrophobicContact CB-CB 4.1Å; A360-W365 HydrophobicContact CB-CE3 4.38Å; A360-W365 WeakPolarHBondContact O-CB 3.39Å; A360-W365 PolarHBondContact O-N 2.99Å; A360-W365 VanDerWaalsContact O-N 3.08Å; N363-W365 VanDerWaalsContact C-N 3.26Å; N363-W365 PolarHBondContact O-N 2.96Å
366G98.5Very high97.8Very high3 Ų322.4 Ų22.43%0.03114%0.137CC..EExtended strand (participates in β ladder)trans-68.9163.9161.600000111.3N338 C339 L340 R429N338-G366 PolarHBondContact O-N 3.01Å; C339-G366 CarbonylContact C-O 3.56Å; C339-G366 VanDerWaalsContact CA-O 3.24Å; C339-G366 WeakPolarHBondContact CA-O 3.23Å; C339-G366 VanDerWaalsContact SG-C 3.53Å; C339-G366 PolarHBondContact SG-O 3.1Å; L340-G366 PolarHBondContact N-O 3.17Å; G366-R429 VanDerWaalsContact CA-O 3.32Å; G366-R429 WeakPolarHBondContact CA-O 3.36Å
367V98.8Very high97.8Very high1 Ų128.3 Ų28.31%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-133.9124169.9-178.60000108.5L340 L342 A360 Q361 T390 Q392L340-V367 HydrophobicContact CB-CG2 4.32Å; L340-V367 HydrophobicContact CD2-CG1 4.37Å; L340-V367 HydrophobicContact CG-CG1 4.5Å; L340-V367 CarbonylContact O-C 3.57Å; L340-V367 WeakPolarHBondContact O-CA 3.16Å; L342-V367 HydrophobicContact CB-CG1 3.72Å; L342-V367 HydrophobicContact CD1-CG1 3.89Å; L342-V367 HydrophobicContact CG-CG1 4.49Å; A360-V367 HydrophobicContact CB-CG2 3.75Å; Q361-V367 HydrophobicContact CG-CG2 3.9Å; V367-T390 HydrophobicContact CB-CG2 3.91Å; V367-T390 HydrophobicContact CG1-CG2 4Å; V367-T390 WeakPolarHBondContact O-CB 3.36Å; V367-T390 PolarHBondContact O-OG1 3.11Å; V367-Q392 VanDerWaalsContact O-CG 3.24Å; V367-Q392 WeakPolarHBondContact O-CG 3.3Å
368M98.9Very high97.8Very high1 Ų129.2 Ų29.21%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-105108.7172.5-178.4-177.5-60.500108.8A149 L340 L341 L342 Q392 K394A149-M368 HydrophobicContact CB-SD 4.5Å; L340-M368 PolarHBondContact O-N 2.88Å; L341-M368 WeakPolarHBondContact CA-O 3.19Å; L341-M368 HydrophobicContact CD1-CB 3.94Å; L341-M368 HydrophobicContact CD1-CG 3.9Å; L341-M368 HydrophobicContact CD1-SD 3.91Å; L342-M368 PolarHBondContact N-O 3.14Å; M368-Q392 HydrophobicContact CB-CG 4.01Å; M368-Q392 HydrophobicContact CG-CG 4.4Å; M368-K394 HydrophobicContact CG-CB 4.38Å; M368-K394 HydrophobicContact CG-CG 4.34Å; M368-K394 HydrophobicContact SD-CB 3.77Å; M368-K394 HydrophobicContact SD-CD 3.87Å; M368-K394 HydrophobicContact SD-CG 3.89Å
369V98.9Very high97.9Very high0 Ų026.5 Ų26.50%016%0.161CC..EExtended strand (participates in β ladder)trans-67.5136.6173.5174.90000108.3I381 L384 V385 L388 T390 Q392 I393 K394V369-I381 HydrophobicContact CG1-CB 3.88Å; V369-I381 HydrophobicContact CG1-CG2 4.32Å; V369-L384 HydrophobicContact CG1-CD2 4.06Å; V369-V385 HydrophobicContact CB-CB 3.84Å; V369-V385 HydrophobicContact CB-CG2 4.02Å; V369-V385 HydrophobicContact CG1-CB 4.23Å; V369-V385 HydrophobicContact CG2-CB 3.81Å; V369-V385 HydrophobicContact CG2-CG2 3.94Å; V369-L388 HydrophobicContact CG2-CD1 4.33Å; V369-T390 HydrophobicContact CG2-CG2 4.01Å; V369-Q392 PolarHBondContact N-O 2.92Å; V369-I393 CarbonylContact O-C 3.46Å; V369-I393 VanDerWaalsContact O-CA 3.31Å; V369-I393 WeakPolarHBondContact O-CA 3.43Å; V369-I393 WeakPolarHBondContact O-CG1 3.48Å; V369-K394 PolarHBondContact O-N 2.81Å
370S98.8Very high97.9Very high4 Ų424.2 Ų24.23%0.02815%0.149CC..EExtended strand (participates in β ladder)trans-130.2144.2-171.6-176.60000113.1L342 K394L342-S370 PolarHBondContact O-N 3.23Å; S370-K394 WeakPolarHBondContact CA-O 3.25Å; S370-K394 WeakPolarHBondContact OG-CE 3.27Å; S370-K394 WeakPolarHBondContact OG-CG 3.4Å
371H98.4Very high98Very high3 Ų324.7 Ų24.71%0.01415%0.151CC..  trans-69.6-174.2157.971.5162.6000112.5E210 E375 I381 K394 T395 G396 R403E210-H371 IonicContact OE1-CE1 2.82Å; E210-H371 PolarHBondContact OE1-CE1 2.92Å; E210-H371 IonicContact OE1-NE2 2.63Å; E210-H371 PolarHBondContact OE1-NE2 3.34Å; E210-H371 IonicContact OE2-CE1 3.55Å; E210-H371 PolarHBondContact OE2-CE1 2.94Å; E210-H371 VanDerWaalsContact OE2-CE1 3.29Å; E210-H371 IonicContact OE2-NE2 3.29Å; E210-H371 PolarHBondContact OE2-NE2 2.96Å; H371-E375 HydrophobicContact CB-CG 3.79Å; H371-I381 HydrophobicContact CB-CD1 3.83Å; H371-K394 PolarHBondContact CD2-O 2.94Å; H371-K394 PolarHBondContact N-O 2.94Å; H371-T395 VanDerWaalsContact ND1-C 3.32Å; H371-G396 VanDerWaalsContact CE1-CA 3.47Å; H371-G396 WeakPolarHBondContact CE1-CA 3.41Å; H371-G396 PolarHBondContact CE1-N 2.86Å; H371-G396 PolarHBondContact ND1-N 3.14Å; H371-R403 PolarHBondContact ND1-NH1 3.37Å
372R97.5Very high98.1Very high5 Ų522 Ų222%0.01914%0.138CC..  trans-119.5164.9159.2-53-61.8-64.5-100.611.1110.3P36 S37 E45 N345 G374 E375 R403P36-R372 HydrophobicContact CB-CB 4.02Å; P36-R372 HydrophobicContact CB-CG 3.82Å; P36-R372 HydrophobicContact CG-CG 3.95Å; S37-R372 WeakPolarHBondContact O-CB 3.3Å; E45-R372 IonicContact OE1-CZ 2.74Å; E45-R372 IonicContact OE1-NH1 2.67Å; E45-R372 IonicContact OE1-NH2 3.55Å; E45-R372 PolarHBondContact OE1-NH2 2.94Å; E45-R372 IonicContact OE2-CZ 2.72Å; E45-R372 IonicContact OE2-NH1 2.67Å; E45-R372 PolarHBondContact OE2-NH1 3.42Å; E45-R372 IonicContact OE2-NH2 2.72Å; E45-R372 PolarHBondContact OE2-NH2 3.03Å; N345-R372 PolarHBondContact ND2-NH1 2.92Å; N345-R372 VanDerWaalsContact OD1-CD 3.27Å; N345-R372 WeakPolarHBondContact OD1-CD 3.31Å; N345-R372 WeakPolarHBondContact OD1-CG 3.44Å; N345-R372 PolarHBondContact OD1-NH1 3.14Å; R372-G374 VanDerWaalsContact C-N 3.32Å; R372-G374 PolarHBondContact O-N 3.3Å; R372-E375 WeakPolarHBondContact O-CG 3.29Å; R372-R403 PolarHBondContact O-NH1 2.92Å
373S94.2Very high98.2Very high4 Ų418.1 Ų18.13%0.02811%0.106CC..SBendtrans-64.8-31.7175.748.80000113.5S14 A39 H158 E210 R403S14-S373 PolarHBondContact OG-O 2.78Å; A39-S373 VanDerWaalsContact CB-OG 3.26Å; A39-S373 WeakPolarHBondContact CB-OG 3.44Å; A39-S373 PolarHBondContact N-OG 3.06Å; H158-S373 VanDerWaalsContact NE2-CB 3.32Å; H158-S373 WeakPolarHBondContact NE2-CB 3.13Å; H158-S373 PolarHBondContact NE2-OG 2.71Å; E210-S373 WeakPolarHBondContact OE1-CA 3.36Å; E210-S373 WeakPolarHBondContact OE1-CB 3.46Å; S373-R403 PolarHBondContact O-NH2 3.21Å
374G96.6Very high98.3Very high0 Ų014.5 Ų14.50%09%0.087CC..BIsolated β-bridgetrans-9395.1161.600000111P36 S37 R372P36-G374 CarbonylContact C-O 3.45Å; P36-G374 WeakPolarHBondContact CA-O 3.46Å; P36-G374 WeakPolarHBondContact CB-O 3.34Å; S37-G374 PolarHBondContact N-O 3.17Å; S37-G374 CarbonylContact O-C 3.59Å; S37-G374 WeakPolarHBondContact O-CA 3.32Å; S37-G374 PolarHBondContact O-N 2.99Å; R372-G374 VanDerWaalsContact C-N 3.32Å; R372-G374 PolarHBondContact O-N 3.3Å
375E98.4Very high98.4Very high6 Ų612 Ų123%0.0286%0.06CC..  trans-102.3174.5176.4-104.6-70.9-175.700112.2D13 S14 H371 R372 E402 R403 K406D13-E375 CarbonylContact C-O 3.55Å; D13-E375 WeakPolarHBondContact CA-O 3.48Å; S14-E375 WeakPolarHBondContact CB-O 3.33Å; S14-E375 PolarHBondContact N-O 3.36Å; S14-E375 PolarHBondContact OG-N 2.68Å; S14-E375 PolarHBondContact OG-O 2.83Å; H371-E375 HydrophobicContact CB-CG 3.79Å; R372-E375 WeakPolarHBondContact O-CG 3.29Å; E375-E402 HydrophobicContact CB-CB 3.9Å; E375-E402 HydrophobicContact CB-CG 3.71Å; E375-R403 VanDerWaalsContact CB-NH1 3.29Å; E375-K406 VanDerWaalsContact CD-CE 3.41Å; E375-K406 VanDerWaalsContact OE1-CE 3.28Å; E375-K406 WeakPolarHBondContact OE1-CE 3.39Å; E375-K406 IonicContact OE1-NZ 2.87Å; E375-K406 WeakPolarHBondContact OE2-CE 3.35Å; E375-K406 IonicContact OE2-NZ 3.96Å; E375-K406 PolarHBondContact OE2-NZ 3.48Å
376T98.8Very high98.4Very high5 Ų511 Ų113%0.0316%0.057CC..  trans-122.9-177.2174.8670000109.7I11 T19 A34 D378 E402 K406I11-T376 HydrophobicContact CD1-CG2 4.49Å; T19-T376 HydrophobicContact CG2-CG2 3.9Å; A34-T376 HydrophobicContact CB-CG2 3.87Å; T376-D378 PolarHBondContact O-N 3.1Å; T376-D378 VanDerWaalsContact OG1-CB 3.24Å; T376-D378 WeakPolarHBondContact OG1-CB 3.47Å; T376-D378 PolarHBondContact OG1-N 3.42Å; T376-D378 VanDerWaalsContact OG1-N 3.16Å; T376-E402 WeakPolarHBondContact O-CB 3.48Å; T376-K406 PolarHBondContact O-NZ 3.1Å
377E98.7Very high98.4Very high124 Ų12410.9 Ų10.958%0.5796%0.055SC*.SBendtrans-71.8-8.8169.164.2-91.6-110.900113.6T379E377-T379 PolarHBondContact O-N 3.01Å
378D98.8Very high98.4Very high19 Ų1910.9 Ų10.910%0.1026%0.055CC..  trans-61.9132.1-178-162.5-48.8000111.3A33 A34 K120 T376 F380 K406A33-D378 WeakPolarHBondContact CA-OD2 3.43Å; A34-D378 HydrophobicContact CB-CB 4.33Å; A34-D378 PolarHBondContact N-OD2 3Å; K120-D378 IonicContact NZ-OD1 3.79Å; K120-D378 PolarHBondContact NZ-OD1 2.96Å; K120-D378 IonicContact NZ-OD2 3.94Å; K120-D378 PolarHBondContact NZ-OD2 2.98Å; T376-D378 PolarHBondContact O-N 3.1Å; T376-D378 VanDerWaalsContact OG1-CB 3.24Å; T376-D378 WeakPolarHBondContact OG1-CB 3.47Å; T376-D378 PolarHBondContact OG1-N 3.42Å; T376-D378 VanDerWaalsContact OG1-N 3.16Å; D378-F380 VanDerWaalsContact OD1-CB 3.25Å; D378-F380 WeakPolarHBondContact OD1-CB 3.33Å; D378-F380 PolarHBondContact OD1-N 3.3Å; D378-K406 WeakPolarHBondContact O-CD 3.43Å; D378-K406 WeakPolarHBondContact O-CE 3.41Å; D378-K406 PolarHBondContact O-NZ 3.1Å
379T98.9Very high98.4Very high34 Ų3410.9 Ų10.921%0.2096%0.055CC..  trans-102.612.5-177.162.90000113.8E377 I381 A382 A405 Q409E377-T379 PolarHBondContact O-N 3.01Å; T379-I381 PolarHBondContact O-N 2.82Å; T379-I381 VanDerWaalsContact O-N 3.09Å; T379-A382 VanDerWaalsContact O-CB 3.29Å; T379-A382 WeakPolarHBondContact O-CB 3.47Å; T379-A382 PolarHBondContact O-N 3.11Å; T379-A405 HydrophobicContact CG2-CB 3.81Å; T379-A405 VanDerWaalsContact CG2-O 3.31Å; T379-A405 WeakPolarHBondContact CG2-O 3.13Å; T379-Q409 HydrophobicContact CG2-CB 4.09Å
380F98.9Very high98.4Very high5 Ų511 Ų112%0.0226%0.056CC..Hα-helixtrans-49.7-42.3-172.7-174.4-89.7000113.6L116 C119 L130 I134 V350 D378 A382 D383 L384L116-F380 HydrophobicContact CB-CD2 4.42Å; L116-F380 HydrophobicContact CB-CE2 4.49Å; L116-F380 HydrophobicContact CD2-CD1 3.46Å; L116-F380 VanDerWaalsContact CD2-CD1 3.46Å; L116-F380 HydrophobicContact CD2-CD2 3.72Å; L116-F380 HydrophobicContact CD2-CE1 3.36Å; L116-F380 HydrophobicContact CD2-CE2 3.64Å; L116-F380 HydrophobicContact CD2-CG 3.64Å; L116-F380 HydrophobicContact CD2-CZ 3.47Å; L116-F380 VanDerWaalsContact CD2-CZ 3.47Å; C119-F380 HydrophobicContact CB-CE2 3.94Å; C119-F380 HydrophobicContact CB-CZ 4.31Å; L130-F380 HydrophobicContact CD1-CE2 4.35Å; L130-F380 HydrophobicContact CD2-CD2 3.88Å; L130-F380 HydrophobicContact CD2-CE2 4.21Å; I134-F380 HydrophobicContact CD1-CE1 4.34Å; I134-F380 HydrophobicContact CD1-CE2 4.2Å; I134-F380 HydrophobicContact CD1-CZ 3.9Å; V350-F380 HydrophobicContact CG1-CZ 4.4Å; V350-F380 HydrophobicContact CG2-CE1 4.31Å; V350-F380 HydrophobicContact CG2-CZ 3.74Å; D378-F380 VanDerWaalsContact OD1-CB 3.25Å; D378-F380 WeakPolarHBondContact OD1-CB 3.33Å; D378-F380 PolarHBondContact OD1-N 3.3Å; F380-A382 PolarHBondContact O-N 2.89Å; F380-D383 PolarHBondContact O-N 3.42Å; F380-D383 VanDerWaalsContact O-N 3.17Å; F380-L384 HydrophobicContact CD1-CB 4.2Å; F380-L384 HydrophobicContact CD1-CD2 4.42Å; F380-L384 HydrophobicContact CE1-CB 4.11Å; F380-L384 HydrophobicContact CE1-CD1 4.06Å; F380-L384 HydrophobicContact CE1-CD2 4.14Å; F380-L384 HydrophobicContact CE1-CG 4.33Å; F380-L384 WeakPolarHBondContact O-CB 3.29Å; F380-L384 PolarHBondContact O-N 2.93Å
381I98.9Very high98.3Very high11 Ų1110.8 Ų10.86%0.0565%0.054CC..Hα-helixtrans-68.1-21.8-176.563.7169.3000113.8V369 H371 T379 L384 V385 I393 K406V369-I381 HydrophobicContact CG1-CB 3.88Å; V369-I381 HydrophobicContact CG1-CG2 4.32Å; H371-I381 HydrophobicContact CB-CD1 3.83Å; T379-I381 PolarHBondContact O-N 2.82Å; T379-I381 VanDerWaalsContact O-N 3.09Å; I381-L384 HydrophobicContact CG2-CD2 4.49Å; I381-L384 PolarHBondContact O-N 2.83Å; I381-V385 WeakPolarHBondContact O-CG1 3.4Å; I381-V385 PolarHBondContact O-N 2.89Å; I381-I393 HydrophobicContact CD1-CD1 4.38Å; I381-I393 HydrophobicContact CG1-CD1 4.36Å; I381-K406 HydrophobicContact CD1-CG 4Å; I381-K406 HydrophobicContact CG1-CG 3.57Å
382A98.9Very high98.4Very high0 Ų010.6 Ų10.60%05%0.054CC..Hα-helixtrans-68.1-43.1172.400000111.3T379 F380 V385 V386 K406 Q409 L410T379-A382 VanDerWaalsContact O-CB 3.29Å; T379-A382 WeakPolarHBondContact O-CB 3.47Å; T379-A382 PolarHBondContact O-N 3.11Å; F380-A382 PolarHBondContact O-N 2.89Å; A382-V385 VanDerWaalsContact O-CG1 3.3Å; A382-V385 WeakPolarHBondContact O-CG1 3.46Å; A382-V386 WeakPolarHBondContact O-CG2 3.32Å; A382-K406 HydrophobicContact CB-CB 4.2Å; A382-K406 WeakPolarHBondContact CB-O 3.38Å; A382-Q409 HydrophobicContact CB-CB 3.76Å; A382-Q409 HydrophobicContact CB-CG 3.67Å; A382-L410 HydrophobicContact CB-CD2 4.18Å; A382-L410 HydrophobicContact CB-CG 3.9Å; A382-L410 WeakPolarHBondContact O-CD2 3.39Å
383D98.9Very high98.4Very high5 Ų510.4 Ų10.43%0.0275%0.053CC..Hα-helixtrans-70.9-35.9173.3-74.3-98.2000111.6L130 Y131 I134 F380 V386 G387 Q409L130-D383 HydrophobicContact CB-CB 4.07Å; L130-D383 WeakPolarHBondContact CB-OD1 3.32Å; L130-D383 HydrophobicContact CD2-CB 3.75Å; L130-D383 HydrophobicContact CG-CB 3.75Å; Y131-D383 WeakPolarHBondContact CA-O 3.4Å; Y131-D383 WeakPolarHBondContact CB-O 3.39Å; Y131-D383 WeakPolarHBondContact CD1-OD1 3.13Å; Y131-D383 PolarHBondContact N-OD1 2.83Å; I134-D383 HydrophobicContact CD1-CB 4.2Å; F380-D383 PolarHBondContact O-N 3.42Å; F380-D383 VanDerWaalsContact O-N 3.17Å; D383-V386 PolarHBondContact O-N 3.06Å; D383-G387 PolarHBondContact O-N 2.95Å; D383-Q409 WeakPolarHBondContact OD2-CG 3.14Å; D383-Q409 PolarHBondContact OD2-NE2 2.95Å
384L98.9Very high98.7Very high1 Ų110.3 Ų10.31%0.0055%0.052CC..Hα-helixtrans-61-50.7178.8-175.664.8000112.4I134 L342 V344 L354 V369 F380 I381 V386 G387 L388I134-L384 HydrophobicContact CD1-CB 4.26Å; I134-L384 HydrophobicContact CD1-CD1 4.25Å; I134-L384 HydrophobicContact CG2-CD1 3.85Å; L342-L384 HydrophobicContact CD2-CD2 3.86Å; V344-L384 HydrophobicContact CG1-CD2 3.46Å; V344-L384 VanDerWaalsContact CG1-CD2 3.46Å; L354-L384 HydrophobicContact CD2-CD1 4.18Å; V369-L384 HydrophobicContact CG1-CD2 4.06Å; F380-L384 HydrophobicContact CD1-CB 4.2Å; F380-L384 HydrophobicContact CD1-CD2 4.42Å; F380-L384 HydrophobicContact CE1-CB 4.11Å; F380-L384 HydrophobicContact CE1-CD1 4.06Å; F380-L384 HydrophobicContact CE1-CD2 4.14Å; F380-L384 HydrophobicContact CE1-CG 4.33Å; F380-L384 WeakPolarHBondContact O-CB 3.29Å; F380-L384 PolarHBondContact O-N 2.93Å; I381-L384 HydrophobicContact CG2-CD2 4.49Å; I381-L384 PolarHBondContact O-N 2.83Å; L384-V386 VanDerWaalsContact C-N 3.29Å; L384-V386 PolarHBondContact O-N 2.95Å; L384-G387 PolarHBondContact O-N 3.49Å; L384-L388 HydrophobicContact CD1-CD1 3.67Å; L384-L388 HydrophobicContact CD1-CG 3.97Å; L384-L388 HydrophobicContact CD2-CD1 4.45Å; L384-L388 HydrophobicContact CG-CD1 3.76Å; L384-L388 HydrophobicContact CG-CG 4.33Å; L384-L388 VanDerWaalsContact O-CB 3.29Å; L384-L388 WeakPolarHBondContact O-CB 3.49Å; L384-L388 WeakPolarHBondContact O-CG 3.29Å; L384-L388 PolarHBondContact O-N 3.4Å
385V98.9Very high98.8Very high0 Ų010.3 Ų10.30%05%0.052CC..Hα-helixtrans-62.8-37.8-177.966.90000112.1P146 V369 I381 A382 C389 T390 Q392 I393 L410P146-V385 HydrophobicContact CB-CG1 4.4Å; P146-V385 HydrophobicContact CB-CG2 3.69Å; P146-V385 HydrophobicContact CG-CG1 3.72Å; P146-V385 HydrophobicContact CG-CG2 3.97Å; V369-V385 HydrophobicContact CB-CB 3.84Å; V369-V385 HydrophobicContact CB-CG2 4.02Å; V369-V385 HydrophobicContact CG1-CB 4.23Å; V369-V385 HydrophobicContact CG2-CB 3.81Å; V369-V385 HydrophobicContact CG2-CG2 3.94Å; I381-V385 WeakPolarHBondContact O-CG1 3.4Å; I381-V385 PolarHBondContact O-N 2.89Å; A382-V385 VanDerWaalsContact O-CG1 3.3Å; A382-V385 WeakPolarHBondContact O-CG1 3.46Å; V385-C389 PolarHBondContact O-N 2.96Å; V385-T390 WeakPolarHBondContact CG2-OG1 3.26Å; V385-T390 PolarHBondContact O-N 3.46Å; V385-Q392 WeakPolarHBondContact CG2-O 3.5Å; V385-I393 HydrophobicContact CB-CB 4.37Å; V385-I393 HydrophobicContact CB-CD1 4.34Å; V385-I393 HydrophobicContact CG1-CB 4.24Å; V385-I393 HydrophobicContact CG1-CD1 3.85Å; V385-I393 HydrophobicContact CG2-CB 4.06Å; V385-L410 HydrophobicContact CG1-CD2 3.96Å
386V98.9Very high98.8Very high0 Ų010 Ų100%05%0.051CC..Hα-helixtrans-68.3-45.4176.9174.40000110.5Y131 V143 I144 L145 A382 D383 L384 C389 L410 I413Y131-V386 HydrophobicContact CD2-CG1 4.13Å; Y131-V386 HydrophobicContact CG-CG1 4.11Å; V143-V386 HydrophobicContact CB-CG1 3.72Å; V143-V386 HydrophobicContact CG1-CG1 4.24Å; V143-V386 HydrophobicContact CG2-CG1 4.21Å; I144-V386 WeakPolarHBondContact O-CA 3.48Å; L145-V386 HydrophobicContact CD2-CG2 4.01Å; A382-V386 WeakPolarHBondContact O-CG2 3.32Å; D383-V386 PolarHBondContact O-N 3.06Å; L384-V386 VanDerWaalsContact C-N 3.29Å; L384-V386 PolarHBondContact O-N 2.95Å; V386-C389 PolarHBondContact O-N 2.72Å; V386-L410 HydrophobicContact CG2-CD2 3.52Å; V386-I413 HydrophobicContact CG1-CG2 4Å; V386-I413 HydrophobicContact CG2-CD1 4.3Å; V386-I413 HydrophobicContact CG2-CG2 4.17Å
387G98.7Very high98.8Very high0 Ų09.8 Ų9.80%05%0.049CC..Hα-helixtrans-68.4-33.8-17900000113.8Y131 A135 N140 D383 L384 C389Y131-G387 VanDerWaalsContact O-CA 3.27Å; Y131-G387 WeakPolarHBondContact O-CA 3.23Å; A135-G387 VanDerWaalsContact CA-O 3.25Å; A135-G387 WeakPolarHBondContact CA-O 3.29Å; A135-G387 VanDerWaalsContact CB-O 3.25Å; A135-G387 WeakPolarHBondContact CB-O 3.38Å; N140-G387 PolarHBondContact ND2-O 3.26Å; D383-G387 PolarHBondContact O-N 2.95Å; L384-G387 PolarHBondContact O-N 3.49Å; G387-C389 VanDerWaalsContact C-N 3.3Å
388L98.6Very high98.8Very high1 Ų14.6 Ų4.61%0.0053%0.027CC..Hα-helixtrans-79.7-9176.2-74.9-179.4000113.9I134 A138 N140 L342 L354 C357 Q361 V369 L384 T390I134-L388 HydrophobicContact CG2-CG 4.48Å; A138-L388 HydrophobicContact CB-CD2 3.86Å; N140-L388 VanDerWaalsContact ND2-C 3.31Å; N140-L388 PolarHBondContact ND2-O 3.43Å; L342-L388 HydrophobicContact CD1-CD1 3.94Å; L354-L388 HydrophobicContact CD2-CD1 4.46Å; L354-L388 HydrophobicContact CD2-CD2 3.42Å; L354-L388 VanDerWaalsContact CD2-CD2 3.42Å; L354-L388 HydrophobicContact CD2-CG 4.14Å; C357-L388 HydrophobicContact CB-CD1 4.04Å; C357-L388 HydrophobicContact CB-CD2 4.04Å; Q361-L388 PolarHBondContact NE2-O 3.09Å; V369-L388 HydrophobicContact CG2-CD1 4.33Å; L384-L388 HydrophobicContact CD1-CD1 3.67Å; L384-L388 HydrophobicContact CD1-CG 3.97Å; L384-L388 HydrophobicContact CD2-CD1 4.45Å; L384-L388 HydrophobicContact CG-CD1 3.76Å; L384-L388 HydrophobicContact CG-CG 4.33Å; L384-L388 VanDerWaalsContact O-CB 3.29Å; L384-L388 WeakPolarHBondContact O-CB 3.49Å; L384-L388 WeakPolarHBondContact O-CG 3.29Å; L384-L388 PolarHBondContact O-N 3.4Å; L388-T390 HydrophobicContact CB-CG2 3.39Å; L388-T390 HydrophobicContact CD1-CG2 4.25Å; L388-T390 HydrophobicContact CG-CG2 4.47Å; L388-T390 PolarHBondContact O-N 2.94Å
389C98.2Very high98.8Very high1 Ų15.3 Ų5.31%0.0073%0.032CC..THydrogen-bonded Turntrans53.238.4-178.1-61.40000113E142 V143 V385 V386 G387 P431 L432E142-C389 PolarHBondContact O-SG 3.35Å; V143-C389 VanDerWaalsContact CA-SG 3.56Å; V385-C389 PolarHBondContact O-N 2.96Å; V386-C389 PolarHBondContact O-N 2.72Å; G387-C389 VanDerWaalsContact C-N 3.3Å; C389-P431 WeakPolarHBondContact O-CG 3.33Å; C389-L432 HydrophobicContact CB-CD1 3.82Å; C389-L432 HydrophobicContact CB-CD2 4.31Å; C389-L432 HydrophobicContact CB-CG 4.19Å
390T98.6Very high98.7Very high2 Ų27.2 Ų7.21%0.0124%0.036CC..  trans-81.3-20.7-172.283.40000113.5V367 V369 V385 L388 Q392V367-T390 HydrophobicContact CB-CG2 3.91Å; V367-T390 HydrophobicContact CG1-CG2 4Å; V367-T390 WeakPolarHBondContact O-CB 3.36Å; V367-T390 PolarHBondContact O-OG1 3.11Å; V369-T390 HydrophobicContact CG2-CG2 4.01Å; V385-T390 WeakPolarHBondContact CG2-OG1 3.26Å; V385-T390 PolarHBondContact O-N 3.46Å; L388-T390 HydrophobicContact CB-CG2 3.39Å; L388-T390 HydrophobicContact CD1-CG2 4.25Å; L388-T390 HydrophobicContact CG-CG2 4.47Å; L388-T390 PolarHBondContact O-N 2.94Å; T390-Q392 VanDerWaalsContact C-N 3.3Å; T390-Q392 PolarHBondContact O-N 3.5Å; T390-Q392 PolarHBondContact OG1-O 3.21Å
391G98.7Very high98.7Very high0 Ų011.4 Ų11.40%07%0.066CC..EExtended strand (participates in β ladder)trans82-1.2173.700000115.3P146 V147 A424 F428P146-G391 CarbonylContact C-O 3.55Å; P146-G391 VanDerWaalsContact CA-C 3.46Å; P146-G391 WeakPolarHBondContact CA-O 3.47Å; V147-G391 PolarHBondContact N-O 3.27Å; G391-A424 WeakPolarHBondContact O-CB 3.24Å; G391-F428 WeakPolarHBondContact O-CB 3.32Å
392Q98.9Very high98.7Very high0 Ų012 Ų120%07%0.068CC..EExtended strand (participates in β ladder)trans-154.4139-178.945.9-179.9-28.600112V147 V367 M368 V369 V385 T390 F428V147-Q392 WeakPolarHBondContact O-CA 3.41Å; V367-Q392 VanDerWaalsContact O-CG 3.24Å; V367-Q392 WeakPolarHBondContact O-CG 3.3Å; M368-Q392 HydrophobicContact CB-CG 4.01Å; M368-Q392 HydrophobicContact CG-CG 4.4Å; V369-Q392 PolarHBondContact N-O 2.92Å; V385-Q392 WeakPolarHBondContact CG2-O 3.5Å; T390-Q392 VanDerWaalsContact C-N 3.3Å; T390-Q392 PolarHBondContact O-N 3.5Å; T390-Q392 PolarHBondContact OG1-O 3.21Å; Q392-F428 HydrophobicContact CB-CB 4.39Å; Q392-F428 HydrophobicContact CB-CD2 4.11Å; Q392-F428 HydrophobicContact CG-CD2 4.28Å; Q392-F428 PolarHBondContact NE2-O 3.19Å; Q392-F428 VanDerWaalsContact OE1-CD2 3.31Å
393I98.9Very high98.7Very high0 Ų012 Ų120%07%0.068CC..EExtended strand (participates in β ladder)trans-135.8135.9177.2-174.6167.8000110.1P146 V147 A149 V369 I381 V385 T395 L410P146-I393 HydrophobicContact CB-CB 4.23Å; P146-I393 HydrophobicContact CB-CG2 3.88Å; P146-I393 HydrophobicContact CG-CB 4.15Å; P146-I393 HydrophobicContact CG-CG2 3.5Å; V147-I393 PolarHBondContact O-N 3.22Å; V147-I393 VanDerWaalsContact O-N 3.11Å; A149-I393 PolarHBondContact N-O 2.88Å; V369-I393 CarbonylContact O-C 3.46Å; V369-I393 VanDerWaalsContact O-CA 3.31Å; V369-I393 WeakPolarHBondContact O-CA 3.43Å; V369-I393 WeakPolarHBondContact O-CG1 3.48Å; I381-I393 HydrophobicContact CD1-CD1 4.38Å; I381-I393 HydrophobicContact CG1-CD1 4.36Å; V385-I393 HydrophobicContact CB-CB 4.37Å; V385-I393 HydrophobicContact CB-CD1 4.34Å; V385-I393 HydrophobicContact CG1-CB 4.24Å; V385-I393 HydrophobicContact CG1-CD1 3.85Å; V385-I393 HydrophobicContact CG2-CB 4.06Å; I393-T395 HydrophobicContact CD1-CG2 3.93Å; I393-T395 HydrophobicContact CG1-CG2 4.08Å; I393-L410 HydrophobicContact CD1-CD1 4.35Å; I393-L410 HydrophobicContact CG2-CD1 4Å
394K98.9Very high98.7Very high2 Ų213.9 Ų13.91%0.0098%0.078CC..EExtended strand (participates in β ladder)trans-108.6118.7161.875.1176.2-163.5170.10109.9A149 E167 M169 D245 E293 L341 M368 V369 S370 H371A149-K394 HydrophobicContact CB-CB 4.09Å; E167-K394 IonicContact OE1-NZ 2.62Å; E167-K394 IonicContact OE2-NZ 2.63Å; E167-K394 PolarHBondContact OE2-NZ 2.7Å; M169-K394 HydrophobicContact SD-CB 4.13Å; M169-K394 HydrophobicContact SD-CD 4.15Å; D245-K394 IonicContact OD2-NZ 2.65Å; E293-K394 IonicContact OE1-NZ 3.58Å; E293-K394 PolarHBondContact OE1-NZ 2.93Å; E293-K394 WeakPolarHBondContact OE2-CE 3.2Å; E293-K394 IonicContact OE2-NZ 3.12Å; E293-K394 PolarHBondContact OE2-NZ 3.16Å; L341-K394 HydrophobicContact CD1-CD 3.76Å; L341-K394 VanDerWaalsContact CD1-CE 3.5Å; L341-K394 HydrophobicContact CD1-CG 4.13Å; L341-K394 VanDerWaalsContact CD2-CE 3.49Å; M368-K394 HydrophobicContact CG-CB 4.38Å; M368-K394 HydrophobicContact CG-CG 4.34Å; M368-K394 HydrophobicContact SD-CB 3.77Å; M368-K394 HydrophobicContact SD-CD 3.87Å; M368-K394 HydrophobicContact SD-CG 3.89Å; V369-K394 PolarHBondContact O-N 2.81Å; S370-K394 WeakPolarHBondContact CA-O 3.25Å; S370-K394 WeakPolarHBondContact OG-CE 3.27Å; S370-K394 WeakPolarHBondContact OG-CG 3.4Å; H371-K394 PolarHBondContact CD2-O 2.94Å; H371-K394 PolarHBondContact N-O 2.94Å
395T98.8Very high98.7Very high0 Ų014.8 Ų14.80%09%0.086CC..  trans-143.133.3-179.2-174.30000112.8H371 I393 R403 K406 Y407H371-T395 VanDerWaalsContact ND1-C 3.32Å; I393-T395 HydrophobicContact CD1-CG2 3.93Å; I393-T395 HydrophobicContact CG1-CG2 4.08Å; T395-R403 WeakPolarHBondContact O-CA 3.37Å; T395-R403 WeakPolarHBondContact O-CB 3.39Å; T395-R403 WeakPolarHBondContact O-CD 3.38Å; T395-K406 HydrophobicContact CG2-CB 3.83Å; T395-Y407 HydrophobicContact CG2-CD1 3.75Å; T395-Y407 HydrophobicContact CG2-CD2 4.18Å; T395-Y407 HydrophobicContact CG2-CE1 3.26Å; T395-Y407 HydrophobicContact CG2-CE2 3.72Å; T395-Y407 HydrophobicContact CG2-CG 4.19Å; T395-Y407 PolarHBondContact N-OH 3.38Å
396G98.6Very high98.7Very high0 Ų014.8 Ų14.80%09%0.086CC..  trans97.3-172.3172.400000115F150 N151 H371 Y407F150-G396 WeakPolarHBondContact CA-O 3.44Å; N151-G396 PolarHBondContact N-O 3.14Å; H371-G396 VanDerWaalsContact CE1-CA 3.47Å; H371-G396 WeakPolarHBondContact CE1-CA 3.41Å; H371-G396 PolarHBondContact CE1-N 2.86Å; H371-G396 PolarHBondContact ND1-N 3.14Å; G396-Y407 PolarHBondContact O-OH 3.04Å
397A98.7Very high98.7Very high0 Ų014.8 Ų14.80%09%0.086CC..  trans-66.9166.1171.300000111.3N151 Y189 E210 G211 C399 R403N151-A397 WeakPolarHBondContact O-CA 3.49Å; N151-A397 VanDerWaalsContact O-CB 3.25Å; N151-A397 WeakPolarHBondContact O-CB 3.45Å; N151-A397 PolarHBondContact O-N 3.36Å; Y189-A397 HydrophobicContact CE2-CB 4.12Å; E210-A397 WeakPolarHBondContact O-CB 3.4Å; E210-A397 PolarHBondContact O-N 3.46Å; G211-A397 VanDerWaalsContact O-CB 3.25Å; G211-A397 WeakPolarHBondContact O-CB 3.35Å; A397-C399 HydrophobicContact CB-CB 3.94Å; A397-C399 PolarHBondContact O-N 3.01Å; A397-R403 WeakPolarHBondContact O-CB 3.22Å
398P98.8Very high98.7Very high16 Ų1617.8 Ų17.810%0.10410%0.102CC..SBendtrans-71.946.116034.4-36.8000111.2F150 A186 Y189 L404F150-P398 HydrophobicContact CD1-CB 4.39Å; F150-P398 HydrophobicContact CD1-CG 4.45Å; F150-P398 HydrophobicContact CE1-CB 4.44Å; A186-P398 HydrophobicContact CB-CB 4.41Å; Y189-P398 HydrophobicContact CD1-CG 3.93Å; Y189-P398 HydrophobicContact CD2-CG 4.34Å; Y189-P398 HydrophobicContact CG-CG 3.7Å; P398-L404 HydrophobicContact CB-CD2 4.45Å
399C98.7Very high98.8Very high33 Ų3319.6 Ų19.622%0.22311%0.11CC..  trans-150.6149.2-177.2-170.70000109.2Y189 A397 R403Y189-C399 HydrophobicContact CE1-CB 3.85Å; Y189-C399 WeakPolarHBondContact OH-CB 3.24Å; Y189-C399 PolarHBondContact OH-SG 2.8Å; A397-C399 HydrophobicContact CB-CB 3.94Å; A397-C399 PolarHBondContact O-N 3.01Å; C399-R403 WeakPolarHBondContact O-CB 3.44Å; C399-R403 VanDerWaalsContact O-CG 3.24Å; C399-R403 WeakPolarHBondContact O-CG 3.48Å
400R98.4Very high98.8Very high74 Ų7419.5 Ų19.528%0.27911%0.11SC..SBendtrans67.2130.7-171.6-45.2173.361.2126.94.6113.1S14 G208 D209 E402 R403 L404S14-R400 PolarHBondContact O-NH2 3.01Å; G208-R400 PolarHBondContact O-NH1 3.45Å; D209-R400 PolarHBondContact O-NE 3.11Å; R400-E402 VanDerWaalsContact C-N 3.34Å; R400-E402 VanDerWaalsContact CB-CD 3.47Å; R400-E402 WeakPolarHBondContact CB-OE1 3.17Å; R400-E402 WeakPolarHBondContact CB-OE2 3.46Å; R400-E402 WeakPolarHBondContact CD-OE1 3.24Å; R400-E402 IonicContact CZ-OE1 3.31Å; R400-E402 IonicContact NE-OE1 2.7Å; R400-E402 PolarHBondContact NE-OE1 2.77Å; R400-E402 IonicContact NH2-OE1 3.37Å; R400-E402 PolarHBondContact O-N 2.8Å; R400-R403 HydrophobicContact CB-CG 4.24Å; R400-R403 VanDerWaalsContact O-CB 3.29Å; R400-R403 WeakPolarHBondContact O-CB 3.48Å; R400-R403 PolarHBondContact O-N 2.94Å; R400-L404 PolarHBondContact O-N 3.12Å; R400-L404 VanDerWaalsContact O-N 3.08Å
401S98.8Very high98.8Very high93 Ų9321.4 Ų21.465%0.6512%0.12SC*.Hα-helixtrans-73.5-22.9-164.7-66.20000114.2R403 L404 A405S401-R403 PolarHBondContact O-N 3.08Å; S401-L404 PolarHBondContact O-N 2.64Å; S401-A405 WeakPolarHBondContact O-CB 3.42Å; S401-A405 PolarHBondContact O-N 3.46Å
402E98.7Very high98.8Very high23 Ų2327.9 Ų27.911%0.10714%0.144CC..Hα-helixtrans-62.8-23.5170.576.3-80.3-17200112S14 E375 T376 R400 K406S14-E402 VanDerWaalsContact CB-CD 3.49Å; S14-E402 VanDerWaalsContact CB-CG 3.44Å; E375-E402 HydrophobicContact CB-CB 3.9Å; E375-E402 HydrophobicContact CB-CG 3.71Å; T376-E402 WeakPolarHBondContact O-CB 3.48Å; R400-E402 VanDerWaalsContact C-N 3.34Å; R400-E402 VanDerWaalsContact CB-CD 3.47Å; R400-E402 WeakPolarHBondContact CB-OE1 3.17Å; R400-E402 WeakPolarHBondContact CB-OE2 3.46Å; R400-E402 WeakPolarHBondContact CD-OE1 3.24Å; R400-E402 IonicContact CZ-OE1 3.31Å; R400-E402 IonicContact NE-OE1 2.7Å; R400-E402 PolarHBondContact NE-OE1 2.77Å; R400-E402 IonicContact NH2-OE1 3.37Å; R400-E402 PolarHBondContact O-N 2.8Å; E402-K406 WeakPolarHBondContact O-CD 3.5Å; E402-K406 VanDerWaalsContact O-CE 3.31Å; E402-K406 WeakPolarHBondContact O-CE 3.31Å; E402-K406 PolarHBondContact O-NZ 3.05Å
403R98.8Very high98.8Very high0 Ų027.9 Ų27.90%014%0.144CC..Hα-helixtrans-86.7-55174-43.4-51.6164.9-179.36109.9S14 D209 H371 R372 S373 E375 T395 A397 C399 R400 S401 A405 K406 Y407S14-R403 PolarHBondContact OG-NH2 2.83Å; D209-R403 PolarHBondContact O-NH2 3.14Å; H371-R403 PolarHBondContact ND1-NH1 3.37Å; R372-R403 PolarHBondContact O-NH1 2.92Å; S373-R403 PolarHBondContact O-NH2 3.21Å; E375-R403 VanDerWaalsContact CB-NH1 3.29Å; T395-R403 WeakPolarHBondContact O-CA 3.37Å; T395-R403 WeakPolarHBondContact O-CB 3.39Å; T395-R403 WeakPolarHBondContact O-CD 3.38Å; A397-R403 WeakPolarHBondContact O-CB 3.22Å; C399-R403 WeakPolarHBondContact O-CB 3.44Å; C399-R403 VanDerWaalsContact O-CG 3.24Å; C399-R403 WeakPolarHBondContact O-CG 3.48Å; R400-R403 HydrophobicContact CB-CG 4.24Å; R400-R403 VanDerWaalsContact O-CB 3.29Å; R400-R403 WeakPolarHBondContact O-CB 3.48Å; R400-R403 PolarHBondContact O-N 2.94Å; S401-R403 PolarHBondContact O-N 3.08Å; R403-A405 PolarHBondContact O-N 3.44Å; R403-K406 PolarHBondContact O-N 2.92Å; R403-K406 VanDerWaalsContact O-N 3.1Å; R403-Y407 HydrophobicContact CB-CE2 4.5Å; R403-Y407 WeakPolarHBondContact O-CD2 3.35Å; R403-Y407 PolarHBondContact O-N 3.48Å
404L98.9Very high98.8Very high45 Ų4528.9 Ų28.924%0.23615%0.149CC..Hα-helixtrans-61-26.7-179.1-67170.5000112.8P398 R400 S401 K406 Y407 N408P398-L404 HydrophobicContact CB-CD2 4.45Å; R400-L404 PolarHBondContact O-N 3.12Å; R400-L404 VanDerWaalsContact O-N 3.08Å; S401-L404 PolarHBondContact O-N 2.64Å; L404-K406 VanDerWaalsContact C-N 3.29Å; L404-K406 PolarHBondContact O-N 3.46Å; L404-Y407 PolarHBondContact O-N 2.67Å; L404-N408 WeakPolarHBondContact O-CB 3.43Å; L404-N408 PolarHBondContact O-N 3.36Å; L404-N408 PolarHBondContact O-ND2 3.44Å; L404-N408 VanDerWaalsContact O-ND2 3.13Å
405A98.9Very high98.8Very high20 Ų2035.2 Ų35.217%0.16518%0.178CC..Hα-helixtrans-57.3-43175.400000111.6T379 S401 R403 Q409T379-A405 HydrophobicContact CG2-CB 3.81Å; T379-A405 VanDerWaalsContact CG2-O 3.31Å; T379-A405 WeakPolarHBondContact CG2-O 3.13Å; S401-A405 WeakPolarHBondContact O-CB 3.42Å; S401-A405 PolarHBondContact O-N 3.46Å; R403-A405 PolarHBondContact O-N 3.44Å; A405-Q409 WeakPolarHBondContact O-CB 3.14Å; A405-Q409 PolarHBondContact O-N 3.11Å
406K98.9Very high98.8Very high0 Ų040.8 Ų40.80%020%0.204CC..Hα-helixtrans-71.4-46.2178.4-72.664.7159171.10110.9E375 T376 D378 I381 A382 T395 E402 R403 L404 N408 Q409 L410E375-K406 VanDerWaalsContact CD-CE 3.41Å; E375-K406 VanDerWaalsContact OE1-CE 3.28Å; E375-K406 WeakPolarHBondContact OE1-CE 3.39Å; E375-K406 IonicContact OE1-NZ 2.87Å; E375-K406 WeakPolarHBondContact OE2-CE 3.35Å; E375-K406 IonicContact OE2-NZ 3.96Å; E375-K406 PolarHBondContact OE2-NZ 3.48Å; T376-K406 PolarHBondContact O-NZ 3.1Å; D378-K406 WeakPolarHBondContact O-CD 3.43Å; D378-K406 WeakPolarHBondContact O-CE 3.41Å; D378-K406 PolarHBondContact O-NZ 3.1Å; I381-K406 HydrophobicContact CD1-CG 4Å; I381-K406 HydrophobicContact CG1-CG 3.57Å; A382-K406 HydrophobicContact CB-CB 4.2Å; A382-K406 WeakPolarHBondContact CB-O 3.38Å; T395-K406 HydrophobicContact CG2-CB 3.83Å; E402-K406 WeakPolarHBondContact O-CD 3.5Å; E402-K406 VanDerWaalsContact O-CE 3.31Å; E402-K406 WeakPolarHBondContact O-CE 3.31Å; E402-K406 PolarHBondContact O-NZ 3.05Å; R403-K406 PolarHBondContact O-N 2.92Å; R403-K406 VanDerWaalsContact O-N 3.1Å; L404-K406 VanDerWaalsContact C-N 3.29Å; L404-K406 PolarHBondContact O-N 3.46Å; K406-N408 VanDerWaalsContact C-N 3.35Å; K406-N408 PolarHBondContact O-N 3.17Å; K406-Q409 WeakPolarHBondContact O-CB 3.38Å; K406-Q409 PolarHBondContact O-N 2.67Å; K406-Q409 VanDerWaalsContact O-N 3.13Å; K406-L410 PolarHBondContact O-N 2.63Å
407Y98.9Very high98.8Very high0 Ų042 Ų420%021%0.211CC..Hα-helixtrans-61.7-42177-69.1-48.9000112.6P148 A149 F150 F178 M182 T395 G396 R403 L404 Q409 L410 L411P148-Y407 HydrophobicContact CB-CD1 4.26Å; P148-Y407 HydrophobicContact CB-CE1 3.59Å; A149-Y407 PolarHBondContact O-OH 3.38Å; F150-Y407 HydrophobicContact CD1-CE1 4.06Å; F150-Y407 AromaticContact CD1-CE2 3.73Å; F150-Y407 HydrophobicContact CD1-CE2 3.73Å; F150-Y407 AromaticContact CD1-CZ 3.45Å; F150-Y407 VanDerWaalsContact CD1-CZ 3.45Å; F150-Y407 WeakPolarHBondContact CD1-OH 3.35Å; F150-Y407 HydrophobicContact CE1-CD1 4.01Å; F150-Y407 HydrophobicContact CE1-CD2 4.1Å; F150-Y407 AromaticContact CE1-CE1 3.6Å; F150-Y407 HydrophobicContact CE1-CE1 3.6Å; F150-Y407 AromaticContact CE1-CE2 3.71Å; F150-Y407 HydrophobicContact CE1-CE2 3.71Å; F150-Y407 HydrophobicContact CE1-CG 4.25Å; F150-Y407 AromaticContact CE1-CZ 3.44Å; F150-Y407 VanDerWaalsContact CE1-CZ 3.44Å; F150-Y407 HydrophobicContact CZ-CE1 4.4Å; F178-Y407 WeakPolarHBondContact CE1-O 3.46Å; F178-Y407 HydrophobicContact CZ-CD1 4.07Å; M182-Y407 HydrophobicContact CE-CD2 4.34Å; M182-Y407 HydrophobicContact CE-CG 3.93Å; M182-Y407 HydrophobicContact SD-CD1 3.69Å; M182-Y407 HydrophobicContact SD-CD2 4.48Å; M182-Y407 HydrophobicContact SD-CE1 4.48Å; M182-Y407 HydrophobicContact SD-CG 3.68Å; T395-Y407 HydrophobicContact CG2-CD1 3.75Å; T395-Y407 HydrophobicContact CG2-CD2 4.18Å; T395-Y407 HydrophobicContact CG2-CE1 3.26Å; T395-Y407 HydrophobicContact CG2-CE2 3.72Å; T395-Y407 HydrophobicContact CG2-CG 4.19Å; T395-Y407 PolarHBondContact N-OH 3.38Å; G396-Y407 PolarHBondContact O-OH 3.04Å; R403-Y407 HydrophobicContact CB-CE2 4.5Å; R403-Y407 WeakPolarHBondContact O-CD2 3.35Å; R403-Y407 PolarHBondContact O-N 3.48Å; L404-Y407 PolarHBondContact O-N 2.67Å; Y407-Q409 VanDerWaalsContact C-N 3.3Å; Y407-Q409 PolarHBondContact O-N 2.85Å; Y407-L410 HydrophobicContact CD1-CD1 4.47Å; Y407-L410 WeakPolarHBondContact O-CB 3.44Å; Y407-L410 PolarHBondContact O-N 2.82Å; Y407-L411 PolarHBondContact O-N 3.17Å
408N98.9Very high98.7Very high64 Ų6444 Ų4434%0.34223%0.232SC..Hα-helixtrans-66.3-33.9174.6-70.7-26.6000111.6L404 K406 L411 R412L404-N408 WeakPolarHBondContact O-CB 3.43Å; L404-N408 PolarHBondContact O-N 3.36Å; L404-N408 PolarHBondContact O-ND2 3.44Å; L404-N408 VanDerWaalsContact O-ND2 3.13Å; K406-N408 VanDerWaalsContact C-N 3.35Å; K406-N408 PolarHBondContact O-N 3.17Å; N408-L411 PolarHBondContact O-N 2.92Å; N408-R412 WeakPolarHBondContact O-CG 3.43Å; N408-R412 PolarHBondContact O-N 3.08Å; N408-R412 VanDerWaalsContact O-N 3.13Å
409Q98.9Very high98.6Very high38 Ų3849.5 Ų49.518%0.17827%0.27CS..Hα-helixtrans-64.9-41.1172.3-179.6624.700111.7T379 A382 D383 A405 K406 Y407 L411 R412 I413T379-Q409 HydrophobicContact CG2-CB 4.09Å; A382-Q409 HydrophobicContact CB-CB 3.76Å; A382-Q409 HydrophobicContact CB-CG 3.67Å; D383-Q409 WeakPolarHBondContact OD2-CG 3.14Å; D383-Q409 PolarHBondContact OD2-NE2 2.95Å; A405-Q409 WeakPolarHBondContact O-CB 3.14Å; A405-Q409 PolarHBondContact O-N 3.11Å; K406-Q409 WeakPolarHBondContact O-CB 3.38Å; K406-Q409 PolarHBondContact O-N 2.67Å; K406-Q409 VanDerWaalsContact O-N 3.13Å; Y407-Q409 VanDerWaalsContact C-N 3.3Å; Y407-Q409 PolarHBondContact O-N 2.85Å; Q409-L411 VanDerWaalsContact C-N 3.34Å; Q409-L411 PolarHBondContact O-N 3.45Å; Q409-R412 WeakPolarHBondContact O-CB 3.36Å; Q409-R412 PolarHBondContact O-N 3.27Å; Q409-R412 VanDerWaalsContact O-N 3.12Å; Q409-R412 VanDerWaalsContact OE1-NH1 3.14Å; Q409-I413 HydrophobicContact CG-CD1 4.02Å; Q409-I413 HydrophobicContact CG-CG1 4.48Å; Q409-I413 WeakPolarHBondContact O-CG1 3.45Å; Q409-I413 PolarHBondContact O-N 2.64Å
410L98.9Very high98.5Very high0 Ų055.8 Ų55.80%029%0.294CS..Hα-helixtrans-62.8-37.2174.2-71.2168.6000112.7L145 P146 F178 A382 V385 V386 I393 K406 Y407 R412 I413 E414L145-L410 HydrophobicContact CD2-CD2 4.29Å; P146-L410 HydrophobicContact CG-CD1 3.98Å; P146-L410 HydrophobicContact CG-CD2 4.12Å; F178-L410 HydrophobicContact CD1-CB 3.82Å; F178-L410 HydrophobicContact CD2-CB 4.4Å; F178-L410 HydrophobicContact CE1-CB 3.25Å; F178-L410 HydrophobicContact CE1-CD1 4.3Å; F178-L410 HydrophobicContact CE1-CG 4.39Å; F178-L410 HydrophobicContact CE2-CB 3.91Å; F178-L410 HydrophobicContact CE2-CD1 3.56Å; F178-L410 HydrophobicContact CE2-CG 4.31Å; F178-L410 HydrophobicContact CG-CB 4.37Å; F178-L410 HydrophobicContact CZ-CB 3.31Å; F178-L410 HydrophobicContact CZ-CD1 3.44Å; F178-L410 VanDerWaalsContact CZ-CD1 3.44Å; F178-L410 HydrophobicContact CZ-CG 4Å; A382-L410 HydrophobicContact CB-CD2 4.18Å; A382-L410 HydrophobicContact CB-CG 3.9Å; A382-L410 WeakPolarHBondContact O-CD2 3.39Å; V385-L410 HydrophobicContact CG1-CD2 3.96Å; V386-L410 HydrophobicContact CG2-CD2 3.52Å; I393-L410 HydrophobicContact CD1-CD1 4.35Å; I393-L410 HydrophobicContact CG2-CD1 4Å; K406-L410 PolarHBondContact O-N 2.63Å; Y407-L410 HydrophobicContact CD1-CD1 4.47Å; Y407-L410 WeakPolarHBondContact O-CB 3.44Å; Y407-L410 PolarHBondContact O-N 2.82Å; L410-R412 VanDerWaalsContact C-N 3.32Å; L410-R412 PolarHBondContact O-N 3.19Å; L410-I413 PolarHBondContact O-N 2.84Å; L410-E414 WeakPolarHBondContact O-CB 3.14Å; L410-E414 PolarHBondContact O-N 3.39Å
411L98.9Very high98.5Very high42 Ų4253.9 Ų53.922%0.2229%0.294CS..Hα-helixtrans-60.7-40.1171.5-70.9171000112.1F178 R179 M182 Y407 N408 Q409 E415F178-L411 HydrophobicContact CD1-CD2 3.89Å; F178-L411 HydrophobicContact CD1-CG 4.2Å; F178-L411 HydrophobicContact CE1-CD2 4.12Å; F178-L411 HydrophobicContact CE1-CG 4Å; R179-L411 HydrophobicContact CB-CD2 3.89Å; R179-L411 HydrophobicContact CG-CD2 4.2Å; M182-L411 HydrophobicContact CB-CD2 4.43Å; M182-L411 HydrophobicContact CG-CD2 4.14Å; M182-L411 HydrophobicContact CG-CG 4.34Å; Y407-L411 PolarHBondContact O-N 3.17Å; N408-L411 PolarHBondContact O-N 2.92Å; Q409-L411 VanDerWaalsContact C-N 3.34Å; Q409-L411 PolarHBondContact O-N 3.45Å; L411-E415 PolarHBondContact O-N 3.43Å; L411-E415 VanDerWaalsContact O-N 3.09Å
412R98.9Very high98.4Very high135 Ų13554 Ų5451%0.50928%0.283SS..Hα-helixtrans-69-41.9177-66.5177.4-157111.62.9112N408 Q409 L410 E414 E415 E416N408-R412 WeakPolarHBondContact O-CG 3.43Å; N408-R412 PolarHBondContact O-N 3.08Å; N408-R412 VanDerWaalsContact O-N 3.13Å; Q409-R412 WeakPolarHBondContact O-CB 3.36Å; Q409-R412 PolarHBondContact O-N 3.27Å; Q409-R412 VanDerWaalsContact O-N 3.12Å; Q409-R412 VanDerWaalsContact OE1-NH1 3.14Å; L410-R412 VanDerWaalsContact C-N 3.32Å; L410-R412 PolarHBondContact O-N 3.19Å; R412-E414 VanDerWaalsContact C-N 3.34Å; R412-E415 PolarHBondContact O-N 3.28Å; R412-E416 WeakPolarHBondContact O-CB 3.28Å; R412-E416 PolarHBondContact O-N 2.99Å
413I98.9Very high98.4Very high1 Ų154.6 Ų54.61%0.00529%0.285CS..Hα-helixtrans-62.7-43.1176.3-66.9167.9000110.3Y131 L145 V386 Q409 L410 E415 E416 L417Y131-I413 HydrophobicContact CD1-CB 4.4Å; Y131-I413 HydrophobicContact CD1-CD1 3.93Å; Y131-I413 HydrophobicContact CD1-CG1 3.74Å; Y131-I413 HydrophobicContact CD1-CG2 3.82Å; Y131-I413 HydrophobicContact CE1-CB 4.37Å; Y131-I413 HydrophobicContact CE1-CG1 3.96Å; Y131-I413 HydrophobicContact CE1-CG2 3.82Å; Y131-I413 HydrophobicContact CG-CG2 4.24Å; L145-I413 HydrophobicContact CD2-CG2 4.34Å; V386-I413 HydrophobicContact CG1-CG2 4Å; V386-I413 HydrophobicContact CG2-CD1 4.3Å; V386-I413 HydrophobicContact CG2-CG2 4.17Å; Q409-I413 HydrophobicContact CG-CD1 4.02Å; Q409-I413 HydrophobicContact CG-CG1 4.48Å; Q409-I413 WeakPolarHBondContact O-CG1 3.45Å; Q409-I413 PolarHBondContact O-N 2.64Å; L410-I413 PolarHBondContact O-N 2.84Å; I413-E415 VanDerWaalsContact C-N 3.34Å; I413-E415 PolarHBondContact O-N 3.13Å; I413-E416 PolarHBondContact O-N 2.89Å; I413-L417 HydrophobicContact CG2-CD1 3.83Å; I413-L417 HydrophobicContact CG2-CG 4.33Å; I413-L417 WeakPolarHBondContact O-CB 3.25Å; I413-L417 VanDerWaalsContact O-CG 3.29Å; I413-L417 WeakPolarHBondContact O-CG 3.44Å; I413-L417 PolarHBondContact O-N 2.71Å
414E98.8Very high98.4Very high20 Ų2055 Ų559%0.09329%0.288CS..Hα-helixtrans-57.4-46.9174.1179.6173.6-117.100112L145 N177 F178 R179 L410 R412 L417 G418 A421L145-E414 HydrophobicContact CD1-CB 3.47Å; L145-E414 VanDerWaalsContact CD1-CB 3.47Å; L145-E414 HydrophobicContact CD1-CG 3.52Å; L145-E414 HydrophobicContact CD2-CB 4.23Å; L145-E414 HydrophobicContact CG-CB 4.5Å; N177-E414 WeakPolarHBondContact CB-OE1 3.36Å; F178-E414 WeakPolarHBondContact CA-OE1 3.18Å; F178-E414 VanDerWaalsContact CB-OE1 3.29Å; F178-E414 WeakPolarHBondContact CB-OE1 3.36Å; F178-E414 PolarHBondContact N-OE1 2.92Å; R179-E414 WeakPolarHBondContact CB-OE2 3.36Å; R179-E414 PolarHBondContact N-OE1 2.99Å; R179-E414 PolarHBondContact N-OE2 3.09Å; L410-E414 WeakPolarHBondContact O-CB 3.14Å; L410-E414 PolarHBondContact O-N 3.39Å; R412-E414 VanDerWaalsContact C-N 3.34Å; E414-L417 PolarHBondContact O-N 3.39Å; E414-G418 PolarHBondContact O-N 2.87Å; E414-G418 VanDerWaalsContact O-N 3.11Å; E414-A421 HydrophobicContact CG-CB 4.3Å
415E98.7Very high98.4Very high135 Ų13553.2 Ų53.263%0.63128%0.281SS*.Hα-helixtrans-62.4-43.1177.7-174.817299.900112.2R179 L411 R412 I413 L417 G418R179-E415 IonicContact NH2-OE2 3.96Å; R179-E415 PolarHBondContact NH2-OE2 2.82Å; L411-E415 PolarHBondContact O-N 3.43Å; L411-E415 VanDerWaalsContact O-N 3.09Å; R412-E415 PolarHBondContact O-N 3.28Å; I413-E415 VanDerWaalsContact C-N 3.34Å; I413-E415 PolarHBondContact O-N 3.13Å; E415-L417 PolarHBondContact O-N 3.14Å; E415-G418 PolarHBondContact O-N 3.36Å
416E98.6Very high98.4Very high117 Ų11759.5 Ų59.555%0.54730%0.3SS..Hα-helixtrans-64.4-39178-172.2-177.5-162.400112.5P129 Y131 R412 I413 G418P129-E416 WeakPolarHBondContact CG-OE1 3.43Å; Y131-E416 WeakPolarHBondContact CE1-OE2 3.49Å; Y131-E416 PolarHBondContact OH-OE2 2.85Å; R412-E416 WeakPolarHBondContact O-CB 3.28Å; R412-E416 PolarHBondContact O-N 2.99Å; I413-E416 PolarHBondContact O-N 2.89Å; E416-G418 VanDerWaalsContact C-N 3.31Å; E416-G418 PolarHBondContact O-N 3.43Å
417L98.3Very high98.3Very high25 Ų2564.6 Ų64.613%0.13133%0.327CS..Hα-helixtrans-70.2-27.7177.2-71.4170.9000112.6Y131 V143 I413 E414 E415 S419 K420 A421Y131-L417 HydrophobicContact CE2-CD2 4.02Å; V143-L417 HydrophobicContact CG2-CD1 3.78Å; V143-L417 HydrophobicContact CG2-CD2 3.71Å; V143-L417 HydrophobicContact CG2-CG 4.43Å; I413-L417 HydrophobicContact CG2-CD1 3.83Å; I413-L417 HydrophobicContact CG2-CG 4.33Å; I413-L417 WeakPolarHBondContact O-CB 3.25Å; I413-L417 VanDerWaalsContact O-CG 3.29Å; I413-L417 WeakPolarHBondContact O-CG 3.44Å; I413-L417 PolarHBondContact O-N 2.71Å; E414-L417 PolarHBondContact O-N 3.39Å; E415-L417 PolarHBondContact O-N 3.14Å; L417-S419 PolarHBondContact O-N 2.8Å; L417-K420 WeakPolarHBondContact O-CB 3.28Å; L417-K420 PolarHBondContact O-N 3.34Å; L417-A421 HydrophobicContact CB-CB 3.9Å
418G98Very high98.3Very high43 Ų4365.1 Ų65.144%0.44333%0.33SS..G310 helixtrans54.5-126.9178.200000112.3E414 E415 E416 K420 A421E414-G418 PolarHBondContact O-N 2.87Å; E414-G418 VanDerWaalsContact O-N 3.11Å; E415-G418 PolarHBondContact O-N 3.36Å; E416-G418 VanDerWaalsContact C-N 3.31Å; E416-G418 PolarHBondContact O-N 3.43Å; G418-K420 PolarHBondContact O-N 2.79Å; G418-K420 VanDerWaalsContact O-N 3.11Å; G418-A421 VanDerWaalsContact O-CB 3.26Å; G418-A421 WeakPolarHBondContact O-CB 3.27Å; G418-A421 PolarHBondContact O-N 2.83Å
419S96.7Very high98.3Very high131 Ų13166 Ų6692%0.91633%0.328SS*.G310 helixtrans-65.9-11.2179.159.10000114.7L417L417-S419 PolarHBondContact O-N 2.8Å
420K96.5Very high98.2Very high166 Ų16668 Ų6872%0.72234%0.34SS*.G310 helixtrans-86.6-9.4174.6-58.7178.4-179.5174.20112.7L417 G418 K422L417-K420 WeakPolarHBondContact O-CB 3.28Å; L417-K420 PolarHBondContact O-N 3.34Å; G418-K420 PolarHBondContact O-N 2.79Å; G418-K420 VanDerWaalsContact O-N 3.11Å; K420-K422 PolarHBondContact O-N 2.82Å
421A97.4Very high98Very high33 Ų3369.1 Ų69.127%0.27335%0.348SS..  trans-64.5123.8179.200000110.5L145 E414 L417 G418L145-A421 HydrophobicContact CD1-CB 4.01Å; E414-A421 HydrophobicContact CG-CB 4.3Å; L417-A421 HydrophobicContact CB-CB 3.9Å; G418-A421 VanDerWaalsContact O-CB 3.26Å; G418-A421 WeakPolarHBondContact O-CB 3.27Å; G418-A421 PolarHBondContact O-N 2.83Å
422K97.8Very high97.6Very high96 Ų9671.1 Ų71.142%0.41736%0.358SS..  trans-114.2126.7171.6-62.5-177.5-170.7176.80108.4E142 I144 L145 K420E142-K422 IonicContact OE1-NZ 2.82Å; E142-K422 PolarHBondContact OE1-NZ 2.87Å; E142-K422 IonicContact OE2-NZ 3.89Å; E142-K422 PolarHBondContact OE2-NZ 3.41Å; I144-K422 HydrophobicContact CG1-CB 4.48Å; L145-K422 PolarHBondContact N-O 3.17Å; K420-K422 PolarHBondContact O-N 2.82Å
423F98.5Very high96.8Very high36 Ų3668 Ų6816%0.15836%0.361CS..BIsolated β-bridgetrans-99.4133175.1177-114.2000110L145 P146 V147 A175 F178 A181 G425L145-F423 HydrophobicContact CB-CD2 4.29Å; P146-F423 WeakPolarHBondContact O-CE2 3.39Å; V147-F423 HydrophobicContact CB-CZ 4.44Å; V147-F423 HydrophobicContact CG2-CE1 4.34Å; V147-F423 HydrophobicContact CG2-CE2 4.17Å; V147-F423 HydrophobicContact CG2-CZ 3.74Å; A175-F423 HydrophobicContact CB-CE1 3.91Å; A175-F423 HydrophobicContact CB-CZ 4.24Å; A175-F423 WeakPolarHBondContact O-CD1 3.48Å; A175-F423 VanDerWaalsContact O-CE1 3.25Å; A175-F423 WeakPolarHBondContact O-CE1 3.11Å; F178-F423 HydrophobicContact CB-CD2 4.19Å; F178-F423 HydrophobicContact CB-CE2 4.44Å; F178-F423 HydrophobicContact CD2-CE2 4.4Å; A181-F423 HydrophobicContact CB-CE2 4.08Å; A181-F423 HydrophobicContact CB-CZ 3.78Å; F423-G425 VanDerWaalsContact C-N 3.34Å; F423-G425 VanDerWaalsContact CE1-CA 3.47Å; F423-G425 PolarHBondContact O-N 3.31Å
424A98.5Very high94.8Very high7 Ų781.3 Ų81.36%0.05842%0.419CS..  trans-64.8-35.5-17500000113.5I144 L145 V147 G391 R426 N427 P431I144-A424 HydrophobicContact CG2-CB 3.96Å; L145-A424 PolarHBondContact O-N 2.7Å; V147-A424 HydrophobicContact CG2-CB 4.48Å; G391-A424 WeakPolarHBondContact O-CB 3.24Å; A424-R426 PolarHBondContact O-N 2.84Å; A424-N427 WeakPolarHBondContact O-CA 3.41Å; A424-N427 WeakPolarHBondContact O-CB 3.48Å; A424-N427 PolarHBondContact O-N 3Å; A424-P431 HydrophobicContact CB-CB 3.93Å
425G98.5Very high94.6Very high8 Ų884.4 Ų84.48%0.08244%0.435CS..G310 helixtrans49.7-130.7178.800000113V147 V173 F423 N427 F428V147-G425 VanDerWaalsContact CG2-O 3.23Å; V147-G425 WeakPolarHBondContact CG2-O 3.48Å; V173-G425 CarbonylContact O-C 3.53Å; V173-G425 VanDerWaalsContact O-CA 3.25Å; V173-G425 WeakPolarHBondContact O-CA 3.44Å; F423-G425 VanDerWaalsContact C-N 3.34Å; F423-G425 VanDerWaalsContact CE1-CA 3.47Å; F423-G425 PolarHBondContact O-N 3.31Å; G425-N427 PolarHBondContact O-N 2.67Å; G425-N427 VanDerWaalsContact O-N 3.11Å; G425-F428 WeakPolarHBondContact O-CB 2.76Å; G425-F428 PolarHBondContact O-N 3.44Å; G425-F428 VanDerWaalsContact O-N 3.14Å
426R97.9Very high94.4Very high152 Ų15281.7 Ų81.757%0.57443%0.425SS*.G310 helixtrans-63.4-16.3178.9-63.1-169.7-179.4-75.5-1.3114.1V173 D238 A424 F428V173-R426 HydrophobicContact CB-CG 4.38Å; V173-R426 HydrophobicContact CG2-CG 4.4Å; V173-R426 PolarHBondContact O-N 2.97Å; V173-R426 VanDerWaalsContact O-N 3.09Å; D238-R426 PolarHBondContact O-NH2 3.07Å; A424-R426 PolarHBondContact O-N 2.84Å; R426-F428 VanDerWaalsContact C-N 3.3Å; R426-F428 PolarHBondContact O-N 2.8Å
427N98Very high94.2Very high107 Ų10779.7 Ų79.757%0.57242%0.418SS*.G310 helixtrans-90.916.1177.5-61.5-29.7000112.9A424 G425 R429 N430 P431A424-N427 WeakPolarHBondContact O-CA 3.41Å; A424-N427 WeakPolarHBondContact O-CB 3.48Å; A424-N427 PolarHBondContact O-N 3Å; G425-N427 PolarHBondContact O-N 2.67Å; G425-N427 VanDerWaalsContact O-N 3.11Å; N427-R429 PolarHBondContact O-N 3.08Å; N427-N430 CarbonylContact O-C 3.56Å; N427-N430 PolarHBondContact O-N 2.74Å; N427-P431 WeakPolarHBondContact O-CA 3.18Å
428F98.5Very high93.9Very high12 Ų1282.9 Ų82.95%0.05344%0.435CS..THydrogen-bonded Turntrans-49.7-28.8-176.876.3-85.6000115.5V147 L171 V173 V290 G391 Q392 G425 R426V147-F428 HydrophobicContact CB-CB 4.02Å; V147-F428 HydrophobicContact CG2-CB 3.7Å; L171-F428 HydrophobicContact CD2-CE2 4.4Å; V173-F428 HydrophobicContact CG1-CD1 3.86Å; V173-F428 HydrophobicContact CG1-CE1 4.15Å; V290-F428 HydrophobicContact CG2-CE1 4.41Å; V290-F428 HydrophobicContact CG2-CZ 4.01Å; G391-F428 WeakPolarHBondContact O-CB 3.32Å; Q392-F428 HydrophobicContact CB-CB 4.39Å; Q392-F428 HydrophobicContact CB-CD2 4.11Å; Q392-F428 HydrophobicContact CG-CD2 4.28Å; Q392-F428 PolarHBondContact NE2-O 3.19Å; Q392-F428 VanDerWaalsContact OE1-CD2 3.31Å; G425-F428 WeakPolarHBondContact O-CB 2.76Å; G425-F428 PolarHBondContact O-N 3.44Å; G425-F428 VanDerWaalsContact O-N 3.14Å; R426-F428 VanDerWaalsContact C-N 3.3Å; R426-F428 PolarHBondContact O-N 2.8Å
429R98.3Very high93.7Very high81 Ų8185.4 Ų85.431%0.30643%0.434SS..THydrogen-bonded Turntrans-71.3-40177.7-59.418065.7178.93.6112.3I313 N338 G366 N427I313-R429 PolarHBondContact O-NH2 2.68Å; I313-R429 VanDerWaalsContact O-NH2 3.15Å; N338-R429 PolarHBondContact ND2-NH2 3.5Å; N338-R429 PolarHBondContact OD1-NH2 3.23Å; G366-R429 VanDerWaalsContact CA-O 3.32Å; G366-R429 WeakPolarHBondContact CA-O 3.36Å; N427-R429 PolarHBondContact O-N 3.08Å
430N96.6Very high93.5Very high81 Ų8182.4 Ų82.443%0.43340%0.402SS..SBendtrans-141.764.7-171.4-68.3-21.9000110.5N427 L432 A433N427-N430 CarbonylContact O-C 3.56Å; N427-N430 PolarHBondContact O-N 2.74Å; N430-L432 PolarHBondContact O-N 2.85Å; N430-L432 VanDerWaalsContact O-N 3.1Å; N430-A433 HydrophobicContact CB-CB 4.01Å; N430-A433 WeakPolarHBondContact O-CB 3.35Å; N430-A433 PolarHBondContact O-N 3.12Å; N430-A433 VanDerWaalsContact O-N 3.09Å
431P96.1Very high93.3Very high24 Ų2476.4 Ų76.416%0.15638%0.379CS..THydrogen-bonded Turntrans-69.1-14.9-167.331.4-41.4000114.5I144 C389 A424 N427I144-P431 HydrophobicContact CD1-CB 3.75Å; I144-P431 HydrophobicContact CD1-CG 4.29Å; I144-P431 WeakPolarHBondContact CD1-O 3.48Å; I144-P431 HydrophobicContact CG2-CB 4.04Å; C389-P431 WeakPolarHBondContact O-CG 3.33Å; A424-P431 HydrophobicContact CB-CB 3.93Å; N427-P431 WeakPolarHBondContact O-CA 3.18Å
432L90.5Very high93Very high83 Ų8379.8 Ų79.844%0.43539%0.387SS..THydrogen-bonded Turntrans-98.7-4.4177.8-64173.6000113.5I144 C389 N430 K434I144-L432 HydrophobicContact CD1-CD2 3.47Å; I144-L432 VanDerWaalsContact CD1-CD2 3.47Å; I144-L432 HydrophobicContact CD1-CG 4.07Å; I144-L432 HydrophobicContact CG1-CD2 4.36Å; C389-L432 HydrophobicContact CB-CD1 3.82Å; C389-L432 HydrophobicContact CB-CD2 4.31Å; C389-L432 HydrophobicContact CB-CG 4.19Å; N430-L432 PolarHBondContact O-N 2.85Å; N430-L432 VanDerWaalsContact O-N 3.1Å; L432-K434 PolarHBondContact O-N 3.13Å
433A81.4Confident92.6Very high69 Ų6978.4 Ų78.457%0.5739%0.385SS*.  trans-66128.7175.800000109.5N430N430-A433 HydrophobicContact CB-CB 4.01Å; N430-A433 WeakPolarHBondContact O-CB 3.35Å; N430-A433 PolarHBondContact O-N 3.12Å; N430-A433 VanDerWaalsContact O-N 3.09Å
434K58Low92Very high281 Ų28182.3 Ų82.3100%1.22241%0.405SS*.  trans-81.20178.2-72-173.8179.3179.80112.2L432L432-K434 PolarHBondContact O-N 3.13Å

Retrieved 434 of 434 residues in 1301.2 ms (Link to these results)

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