A0A024R4F1_HUMAN Loading...

phosphopyruvate hydratase

AlphaFold DB (P06733), UniProt , Accession A0A024R4F1, Species HUMAN (Homo sapiens, Human), Gene HEL-S-17, Length 434 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
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 109.7 ms (Link to these results)

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