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Protein-glucosylgalactosylhydroxylysine glucosidase

Catalyzes the hydrolysis of glucose from the disaccharide unit linked to hydroxylysine residues of collagen and collagen-like proteins.

AlphaFold DB , UniProt , Accession Q32M88, Species HUMAN (Homo sapiens, Human), Gene PGGHG, Length 737 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.4Very low66.8Low241 Ų24192.2 Ų92.2100%1.18753%0.53SS*.  04.70-116.4-175.4-95.900112.5
2E29.7Very low69.2Low196 Ų19689.8 Ų89.892%0.91653%0.529SS*.  trans-94.2-3.3178.3-75.1174.9152.700114.6
3D38.4Very low71.2Confident99 Ų9984.5 Ų84.553%0.52950%0.502SS..SBendtrans-97.46.9-173.4-120.4-23.5000114.6G5 R253D3-G5 VanDerWaalsContact C-N 3.27Å; D3-G5 PolarHBondContact O-N 3.24Å; D3-R253 PolarHBondContact O-NH2 2.91Å
4A37.7Very low73Confident103 Ų10388.1 Ų88.185%0.85151%0.51SS*.SBendtrans-86.48.8179.700000113.5
5G50.3Low74.4Confident70 Ų7087.5 Ų87.572%0.72251%0.514SS*.SBendtrans-96.6-22.2-167.400000116.6D3D3-G5 VanDerWaalsContact C-N 3.27Å; D3-G5 PolarHBondContact O-N 3.24Å
6E76.5Confident75.8Confident134 Ų13484.3 Ų84.363%0.62649%0.493SS*.SBendtrans-119.3127.3-171.4-69.4-175.6-177.700112.1P8 L250 R253E6-P8 WeakPolarHBondContact O-CD 3.46Å; E6-L250 HydrophobicContact CB-CD1 4.19Å; E6-L250 HydrophobicContact CB-CD2 3.64Å; E6-L250 HydrophobicContact CG-CD2 4.42Å; E6-L250 WeakPolarHBondContact OE2-CD2 3.41Å; E6-R253 PolarHBondContact O-NH1 3.12Å
7D89.4Confident76.9Confident80 Ų8080.8 Ų80.843%0.42847%0.474SS..  trans-68.3114-179.8173.818.1000110.4T9 T10D7-T9 PolarHBondContact O-N 2.84Å; D7-T9 WeakPolarHBondContact OD1-CB 3.44Å; D7-T9 PolarHBondContact OD1-N 3.01Å; D7-T9 PolarHBondContact OD1-OG1 3.09Å; D7-T9 PolarHBondContact OD2-OG1 3.38Å; D7-T9 VanDerWaalsContact OD2-OG1 3.07Å; D7-T10 WeakPolarHBondContact OD2-CB 3.47Å; D7-T10 PolarHBondContact OD2-OG1 3.04Å
8P93.7Very high77.9Confident27 Ų2783.6 Ų83.618%0.17550%0.498CS..THydrogen-bonded Turntrans-75.9-2.4-179.834.1-36.3000113E6 F11 L250 R253 Q254E6-P8 WeakPolarHBondContact O-CD 3.46Å; P8-F11 WeakPolarHBondContact O-CE1 3.49Å; P8-L250 HydrophobicContact CB-CD1 4.04Å; P8-R253 HydrophobicContact CB-CB 3.72Å; P8-R253 HydrophobicContact CG-CB 4.45Å; P8-Q254 HydrophobicContact CB-CG 4.19Å
9T95.9Very high78.8Confident16 Ų1681.3 Ų81.310%0.09848%0.483CS..THydrogen-bonded Turntrans-100.4-13.9-172.570.30000114D7 T84 N85 R257D7-T9 PolarHBondContact O-N 2.84Å; D7-T9 WeakPolarHBondContact OD1-CB 3.44Å; D7-T9 PolarHBondContact OD1-N 3.01Å; D7-T9 PolarHBondContact OD1-OG1 3.09Å; D7-T9 PolarHBondContact OD2-OG1 3.38Å; D7-T9 VanDerWaalsContact OD2-OG1 3.07Å; T9-T84 WeakPolarHBondContact CA-OG1 3.23Å; T9-T84 WeakPolarHBondContact CB-OG1 3.43Å; T9-T84 WeakPolarHBondContact O-CB 3.49Å; T9-T84 PolarHBondContact O-N 3.22Å; T9-T84 PolarHBondContact O-OG1 3.12Å; T9-N85 WeakPolarHBondContact CB-ND2 3.13Å; T9-N85 PolarHBondContact OG1-ND2 3.44Å; T9-R257 HydrophobicContact CG2-CG 4.18Å
10T96.2Very high79.6Confident47 Ų4781.2 Ų81.229%0.28848%0.484SS..EExtended strand (participates in β ladder)trans-114.7120.6178.6-54.10000110.3D7 A81D7-T10 WeakPolarHBondContact OD2-CB 3.47Å; D7-T10 PolarHBondContact OD2-OG1 3.04Å; T10-A81 HydrophobicContact CG2-CB 4.06Å
11F96.7Very high80.4Confident1 Ų181.3 Ų81.30%0.00448%0.477CS..EExtended strand (participates in β ladder)trans-103.199.3178.7-51.9-30.3000109.9P8 A81 L82 T84 Q254 P568 F569 K570P8-F11 WeakPolarHBondContact O-CE1 3.49Å; F11-A81 CarbonylContact O-C 3.57Å; F11-A81 WeakPolarHBondContact O-CA 3.4Å; F11-L82 HydrophobicContact CB-CB 4.41Å; F11-L82 HydrophobicContact CD2-CB 4.44Å; F11-L82 HydrophobicContact CD2-CD2 4.14Å; F11-L82 PolarHBondContact N-O 3.28Å; F11-L82 PolarHBondContact O-N 2.91Å; F11-T84 HydrophobicContact CD2-CG2 4.27Å; F11-T84 HydrophobicContact CE2-CG2 3.68Å; F11-T84 HydrophobicContact CZ-CG2 3.94Å; F11-Q254 HydrophobicContact CD1-CG 4.34Å; F11-Q254 HydrophobicContact CE1-CB 3.8Å; F11-Q254 HydrophobicContact CE1-CG 3.88Å; F11-Q254 HydrophobicContact CZ-CB 4.48Å; F11-Q254 WeakPolarHBondContact CZ-O 3.36Å; F11-P568 WeakPolarHBondContact CB-O 3.35Å; F11-F569 WeakPolarHBondContact CD2-O 3.45Å; F11-K570 HydrophobicContact CD1-CG 3.93Å; F11-K570 HydrophobicContact CD2-CB 4.03Å; F11-K570 HydrophobicContact CD2-CG 3.66Å; F11-K570 HydrophobicContact CE1-CG 3.91Å; F11-K570 HydrophobicContact CE2-CB 3.78Å; F11-K570 HydrophobicContact CE2-CG 3.64Å; F11-K570 HydrophobicContact CG-CG 3.83Å; F11-K570 HydrophobicContact CZ-CB 4.22Å; F11-K570 HydrophobicContact CZ-CG 3.77Å
12A95.1Very high83.5Confident63 Ų6371 Ų7152%0.52143%0.426SS..EExtended strand (participates in β ladder)trans-111.4147.6-172.900000113.4T79 F80 A81A12-T79 HydrophobicContact CB-CG2 4.36Å; A12-F80 CarbonylContact C-O 3.57Å; A12-F80 VanDerWaalsContact CA-O 3.27Å; A12-F80 WeakPolarHBondContact CA-O 3.45Å; A12-A81 HydrophobicContact CB-CB 4.08Å
13A96.2Very high86.7Confident21 Ų2162.3 Ų62.317%0.17439%0.386CS..EExtended strand (participates in β ladder)trans-152.5165173.100000112T79 F80 P568A13-T79 CarbonylContact O-C 3.59Å; A13-T79 WeakPolarHBondContact O-CA 3.29Å; A13-F80 PolarHBondContact N-O 2.86Å; A13-F80 PolarHBondContact O-N 2.8Å; A13-P568 HydrophobicContact CB-CB 3.42Å; A13-P568 VanDerWaalsContact CB-CB 3.42Å; A13-P568 HydrophobicContact CB-CG 3.7Å
14H95.7Very high89.5Confident135 Ų13557.6 Ų57.663%0.62536%0.361SS*.SBendtrans-95.2-0.1177.7-63-58.4000114E78H14-E78 PolarHBondContact ND1-O 3.47Å
15S94.6Very high92.4Very high80 Ų8052.7 Ų52.756%0.55932%0.32SS*.SBendtrans-147.9150.2175.861.70000110.2
16L96Very high94.6Very high36 Ų3649.4 Ų49.419%0.18829%0.286CS..  trans-71154167.7-66.1174.9000110.8L23 F36 F80 F89 F569L16-L23 HydrophobicContact CB-CD2 4.14Å; L16-L23 HydrophobicContact CD1-CD2 4.2Å; L16-L23 HydrophobicContact CD2-CD2 3.83Å; L16-L23 HydrophobicContact CG-CD2 4.28Å; L16-F36 HydrophobicContact CD1-CD2 3.99Å; L16-F36 HydrophobicContact CD1-CE2 3.96Å; L16-F36 HydrophobicContact CD2-CE2 4.46Å; L16-F80 HydrophobicContact CD1-CD1 4.49Å; L16-F80 HydrophobicContact CD1-CE1 4.07Å; L16-F80 HydrophobicContact CD1-CZ 4.31Å; L16-F80 HydrophobicContact CD2-CB 4.09Å; L16-F80 HydrophobicContact CD2-CD1 3.59Å; L16-F80 HydrophobicContact CD2-CD2 4.21Å; L16-F80 HydrophobicContact CD2-CE1 4Å; L16-F80 HydrophobicContact CD2-CG 3.68Å; L16-F80 HydrophobicContact CD2-CZ 4.49Å; L16-F80 HydrophobicContact CG-CD1 3.95Å; L16-F80 HydrophobicContact CG-CD2 4.16Å; L16-F80 HydrophobicContact CG-CE1 3.85Å; L16-F80 HydrophobicContact CG-CE2 4.1Å; L16-F80 HydrophobicContact CG-CG 4.08Å; L16-F80 HydrophobicContact CG-CZ 3.94Å; L16-F89 HydrophobicContact CD2-CZ 4.08Å; L16-F569 HydrophobicContact CD2-CE2 4.14Å; L16-F569 HydrophobicContact CD2-CZ 4.08Å
17P95.5Very high95.6Very high25 Ų2543.3 Ų43.316%0.16226%0.258CS..  trans-59.2146.4171.425.1-33.9000111.2D19 L22 L23 F569P17-D19 VanDerWaalsContact C-N 3.33Å; P17-L22 HydrophobicContact CB-CB 3.99Å; P17-L22 HydrophobicContact CG-CB 4.05Å; P17-L23 HydrophobicContact CG-CD2 3.99Å; P17-L23 HydrophobicContact CG-CG 4.4Å; P17-F569 HydrophobicContact CG-CE2 4.44Å
18S94.4Very high95.9Very high130 Ų13039.7 Ų39.791%0.90924%0.239SC*.SBendtrans-70.7-30.1177.454.90000112.8P20S18-P20 WeakPolarHBondContact O-CD 3.34Å
19D95.4Very high95.8Very high41 Ų4138.5 Ų38.522%0.21923%0.231CC..SBendtrans-85.7113.4171.3-175.9-11.3000109.4P17 R21 L22P17-D19 VanDerWaalsContact C-N 3.33Å; D19-R21 PolarHBondContact O-N 2.99Å; D19-R21 VanDerWaalsContact O-N 3.15Å; D19-R21 VanDerWaalsContact OD1-CB 3.23Å; D19-R21 WeakPolarHBondContact OD1-CB 3.24Å; D19-R21 VanDerWaalsContact OD1-CG 3.24Å; D19-R21 WeakPolarHBondContact OD1-CG 3.38Å; D19-R21 PolarHBondContact OD1-N 3.21Å; D19-R21 IonicContact OD1-NE 3.9Å; D19-R21 PolarHBondContact OD1-NE 3.43Å; D19-R21 IonicContact OD2-CZ 3.32Å; D19-R21 VanDerWaalsContact OD2-CZ 3.25Å; D19-R21 IonicContact OD2-NE 3.51Å; D19-R21 PolarHBondContact OD2-NE 3.38Å; D19-R21 IonicContact OD2-NH2 2.89Å; D19-R21 PolarHBondContact OD2-NH2 3.43Å; D19-L22 HydrophobicContact CB-CD1 3.98Å; D19-L22 HydrophobicContact CB-CG 4.09Å; D19-L22 PolarHBondContact O-N 3.14Å
20P94.2Very high95.8Very high78 Ų7839.4 Ų39.451%0.50623%0.233SC..G310 helixtrans-63.7-19.2-178.727.2-35.2000113.2S18 L22 L23S18-P20 WeakPolarHBondContact O-CD 3.34Å; P20-L22 PolarHBondContact O-N 3.36Å; P20-L23 HydrophobicContact CB-CD1 4.19Å; P20-L23 WeakPolarHBondContact O-CB 3.27Å; P20-L23 WeakPolarHBondContact O-CD1 3.33Å; P20-L23 VanDerWaalsContact O-CG 3.31Å; P20-L23 WeakPolarHBondContact O-CG 3.37Å; P20-L23 PolarHBondContact O-N 2.92Å
21R95.7Very high95.9Very high84 Ų8437.2 Ų37.232%0.31722%0.219SC..G310 helixtrans-65-24.5175.1-58-179.3-58.1145.47.1112.3D19 L23 G578 G580 V582D19-R21 PolarHBondContact O-N 2.99Å; D19-R21 VanDerWaalsContact O-N 3.15Å; D19-R21 VanDerWaalsContact OD1-CB 3.23Å; D19-R21 WeakPolarHBondContact OD1-CB 3.24Å; D19-R21 VanDerWaalsContact OD1-CG 3.24Å; D19-R21 WeakPolarHBondContact OD1-CG 3.38Å; D19-R21 PolarHBondContact OD1-N 3.21Å; D19-R21 IonicContact OD1-NE 3.9Å; D19-R21 PolarHBondContact OD1-NE 3.43Å; D19-R21 IonicContact OD2-CZ 3.32Å; D19-R21 VanDerWaalsContact OD2-CZ 3.25Å; D19-R21 IonicContact OD2-NE 3.51Å; D19-R21 PolarHBondContact OD2-NE 3.38Å; D19-R21 IonicContact OD2-NH2 2.89Å; D19-R21 PolarHBondContact OD2-NH2 3.43Å; R21-L23 VanDerWaalsContact C-N 3.35Å; R21-G578 PolarHBondContact NH2-O 3.08Å; R21-G580 PolarHBondContact NH1-O 3.17Å; R21-V582 HydrophobicContact CB-CB 4.31Å; R21-V582 HydrophobicContact CB-CG1 3.77Å; R21-V582 HydrophobicContact CB-CG2 3.88Å; R21-V582 WeakPolarHBondContact O-CG2 3.4Å
22L96.7Very high95.9Very high26 Ų2637.1 Ų37.114%0.13622%0.219CC..G310 helixtrans-91.75.6-178.1-56.5178.1000113.4P17 D19 P20 A566 V571 T573 V582P17-L22 HydrophobicContact CB-CB 3.99Å; P17-L22 HydrophobicContact CG-CB 4.05Å; D19-L22 HydrophobicContact CB-CD1 3.98Å; D19-L22 HydrophobicContact CB-CG 4.09Å; D19-L22 PolarHBondContact O-N 3.14Å; P20-L22 PolarHBondContact O-N 3.36Å; L22-A566 HydrophobicContact CD1-CB 3.88Å; L22-A566 HydrophobicContact CD2-CB 3.94Å; L22-A566 HydrophobicContact CG-CB 4.41Å; L22-V571 HydrophobicContact CD2-CG1 4.2Å; L22-T573 HydrophobicContact CD2-CG2 3.71Å; L22-V582 HydrophobicContact CD2-CG1 4.03Å
23L97.2Very high96Very high12 Ų1234.2 Ų34.26%0.06320%0.195CC..SBendtrans-61.9146.2171.5-69.8170.5000110.5L16 P17 P20 R21 T25 V35L16-L23 HydrophobicContact CB-CD2 4.14Å; L16-L23 HydrophobicContact CD1-CD2 4.2Å; L16-L23 HydrophobicContact CD2-CD2 3.83Å; L16-L23 HydrophobicContact CG-CD2 4.28Å; P17-L23 HydrophobicContact CG-CD2 3.99Å; P17-L23 HydrophobicContact CG-CG 4.4Å; P20-L23 HydrophobicContact CB-CD1 4.19Å; P20-L23 WeakPolarHBondContact O-CB 3.27Å; P20-L23 WeakPolarHBondContact O-CD1 3.33Å; P20-L23 VanDerWaalsContact O-CG 3.31Å; P20-L23 WeakPolarHBondContact O-CG 3.37Å; P20-L23 PolarHBondContact O-N 2.92Å; R21-L23 VanDerWaalsContact C-N 3.35Å; L23-T25 PolarHBondContact O-N 3.28Å; L23-V35 HydrophobicContact CB-CG2 4.04Å; L23-V35 WeakPolarHBondContact CD1-O 3.38Å; L23-V35 HydrophobicContact CD2-CG2 4.42Å
24A97.4Very high96Very high0 Ų033.8 Ų33.80%019%0.189CC..PPolyproline II helixtrans-55.7137.2179.600000111V35 L82 F89 F569A24-V35 HydrophobicContact CB-CG1 4.47Å; A24-V35 HydrophobicContact CB-CG2 4.18Å; A24-V35 WeakPolarHBondContact O-CG1 3.34Å; A24-V35 PolarHBondContact O-N 3.06Å; A24-L82 HydrophobicContact CB-CB 4.48Å; A24-L82 HydrophobicContact CB-CD1 4.33Å; A24-L82 HydrophobicContact CB-CD2 4.31Å; A24-F89 HydrophobicContact CB-CD2 3.83Å; A24-F89 HydrophobicContact CB-CE2 4.37Å; A24-F569 HydrophobicContact CB-CB 4.16Å; A24-F569 HydrophobicContact CB-CD1 4.36Å; A24-F569 HydrophobicContact CB-CD2 3.92Å; A24-F569 HydrophobicContact CB-CE2 4.44Å; A24-F569 HydrophobicContact CB-CG 3.88Å
25T97.4Very high96.1Very high1 Ų127.4 Ų27.41%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-96.7139.5172.857.40000109.9L23 R34 Y261 Y262 N583L23-T25 PolarHBondContact O-N 3.28Å; T25-R34 HydrophobicContact CG2-CG 3.74Å; T25-Y261 PolarHBondContact O-OH 2.87Å; T25-Y262 WeakPolarHBondContact OG1-CD1 3.42Å; T25-Y262 WeakPolarHBondContact OG1-CE1 3.49Å; T25-N583 HydrophobicContact CG2-CB 4.09Å; T25-N583 PolarHBondContact OG1-ND2 2.98Å; T25-N583 PolarHBondContact OG1-OD1 2.95Å
26V97.7Very high96.1Very high0 Ų024.2 Ų24.20%014%0.135CC..EExtended strand (participates in β ladder)trans-122.1130.5168.1-66.30000108.3G32 T33 V35 F89 I104 A106 S286V26-G32 WeakPolarHBondContact O-CA 3.39Å; V26-T33 HydrophobicContact CG2-CG2 3.77Å; V26-T33 PolarHBondContact N-O 2.67Å; V26-T33 PolarHBondContact O-N 3.17Å; V26-V35 HydrophobicContact CG1-CG1 4.49Å; V26-F89 HydrophobicContact CG1-CB 4.46Å; V26-I104 HydrophobicContact CG2-CG2 4.2Å; V26-A106 HydrophobicContact CB-CB 4.43Å; V26-S286 PolarHBondContact O-OG 2.9Å
27T96.8Very high96.1Very high6 Ų624.8 Ų24.84%0.03714%0.137CC..EExtended strand (participates in β ladder)trans-151.6155.8180175.60000111A29 L31 A106 S265T27-A29 PolarHBondContact OG1-N 2.88Å; T27-L31 WeakPolarHBondContact CA-O 3.38Å; T27-L31 WeakPolarHBondContact CB-O 3.08Å; T27-L31 PolarHBondContact OG1-O 3.16Å; T27-L31 VanDerWaalsContact OG1-O 3.07Å; T27-A106 VanDerWaalsContact C-CB 3.44Å; T27-S265 CarbonylContact C-O 3.5Å; T27-S265 VanDerWaalsContact CG2-OG 3.26Å; T27-S265 WeakPolarHBondContact CG2-OG 3.46Å
28N94.9Very high96.1Very high5 Ų527.8 Ų27.83%0.02715%0.152CC..  trans-131.830.5176.462.68.8000111.7Y30 L31 A106 H107 L110 P111 V113N28-Y30 PolarHBondContact O-N 3.32Å; N28-Y30 PolarHBondContact OD1-N 3.07Å; N28-L31 PolarHBondContact N-O 3.05Å; N28-L31 VanDerWaalsContact N-O 3.14Å; N28-L31 PolarHBondContact OD1-N 3.5Å; N28-L31 PolarHBondContact OD1-O 2.95Å; N28-A106 HydrophobicContact CB-CB 3.83Å; N28-H107 PolarHBondContact ND2-O 2.85Å; N28-L110 PolarHBondContact ND2-O 3.16Å; N28-P111 VanDerWaalsContact CG-O 3.29Å; N28-P111 WeakPolarHBondContact ND2-CA 3.12Å; N28-P111 PolarHBondContact ND2-O 3.01Å; N28-P111 PolarHBondContact OD1-O 3.4Å; N28-P111 VanDerWaalsContact OD1-O 3.07Å; N28-V113 PolarHBondContact ND2-O 3.28Å
29A93.1Very high96.2Very high2 Ų222 Ų222%0.01711%0.111CC..SBendtrans69.2-19.9-176.200000117.1T27 S43 S265 A266 L267 P268 Y275T27-A29 PolarHBondContact OG1-N 2.88Å; A29-S43 VanDerWaalsContact O-CB 3.31Å; A29-S43 WeakPolarHBondContact O-CB 3.47Å; A29-S43 PolarHBondContact O-OG 3.38Å; A29-S265 PolarHBondContact N-O 3.34Å; A29-A266 VanDerWaalsContact CB-O 3.27Å; A29-A266 WeakPolarHBondContact CB-O 3.33Å; A29-L267 VanDerWaalsContact CB-C 3.41Å; A29-P268 HydrophobicContact CB-CB 4.42Å; A29-Y275 HydrophobicContact CB-CE2 4.01Å
30Y95.6Very high96.3Very high35 Ų3520 Ų2014%0.13710%0.1CC..SBendtrans-105.3-41174.7-177.3-100.5000112.4N28 V42 S43 P111 H112 V204N28-Y30 PolarHBondContact O-N 3.32Å; N28-Y30 PolarHBondContact OD1-N 3.07Å; Y30-V42 HydrophobicContact CE1-CG1 3.97Å; Y30-V42 HydrophobicContact CE2-CG1 4.07Å; Y30-S43 PolarHBondContact O-N 3.18Å; Y30-P111 WeakPolarHBondContact CD1-O 3.47Å; Y30-H112 HydrophobicContact CD1-CB 4.46Å; Y30-H112 AromaticContact CD1-CE1 3.96Å; Y30-H112 AromaticContact CD1-ND1 3.64Å; Y30-H112 HydrophobicContact CE1-CB 4.41Å; Y30-H112 AromaticContact CE1-CE1 3.53Å; Y30-H112 AromaticContact CE1-CG 3.87Å; Y30-H112 AromaticContact CE1-ND1 3.09Å; Y30-H112 WeakPolarHBondContact CE1-ND1 3.44Å; Y30-H112 AromaticContact CE2-CE1 3.86Å; Y30-H112 AromaticContact CZ-CE1 3.44Å; Y30-H112 VanDerWaalsContact CZ-CE1 3.44Å; Y30-H112 AromaticContact CZ-ND1 3.45Å; Y30-V204 WeakPolarHBondContact CE1-O 3.35Å
31L96.9Very high96.4Very high0 Ų016.4 Ų16.40%08%0.077CC..EExtended strand (participates in β ladder)trans-118.7141.3172.9-60.9173.8000111T27 N28 L40 H41 V42 H112 L114 V204T27-L31 WeakPolarHBondContact CA-O 3.38Å; T27-L31 WeakPolarHBondContact CB-O 3.08Å; T27-L31 PolarHBondContact OG1-O 3.16Å; T27-L31 VanDerWaalsContact OG1-O 3.07Å; N28-L31 PolarHBondContact N-O 3.05Å; N28-L31 VanDerWaalsContact N-O 3.14Å; N28-L31 PolarHBondContact OD1-N 3.5Å; N28-L31 PolarHBondContact OD1-O 2.95Å; L31-L40 HydrophobicContact CD2-CD1 3.97Å; L31-H41 WeakPolarHBondContact CA-O 3.26Å; L31-V42 HydrophobicContact CD2-CB 4.28Å; L31-V42 HydrophobicContact CD2-CG1 4.18Å; L31-V42 HydrophobicContact CD2-CG2 3.8Å; L31-H112 VanDerWaalsContact CD1-C 3.4Å; L31-H112 VanDerWaalsContact CD1-O 3.29Å; L31-H112 WeakPolarHBondContact CD1-O 3.18Å; L31-L114 HydrophobicContact CB-CD1 4.13Å; L31-L114 HydrophobicContact CB-CD2 3.95Å; L31-L114 HydrophobicContact CB-CG 3.85Å; L31-L114 HydrophobicContact CD1-CD1 4.5Å; L31-L114 HydrophobicContact CD1-CG 3.92Å; L31-V204 HydrophobicContact CD1-CB 4.09Å; L31-V204 HydrophobicContact CD1-CG2 4.08Å; L31-V204 HydrophobicContact CD2-CB 3.8Å; L31-V204 HydrophobicContact CD2-CG1 4.22Å; L31-V204 HydrophobicContact CD2-CG2 4.04Å
32G97.2Very high96.5Very high0 Ų012.7 Ų12.70%06%0.063CC..EExtended strand (participates in β ladder)trans-140143.6174.300000111.9V26 L40 H41 S286V26-G32 WeakPolarHBondContact O-CA 3.39Å; G32-L40 CarbonylContact O-C 3.54Å; G32-L40 WeakPolarHBondContact O-CA 3.39Å; G32-H41 PolarHBondContact N-O 2.91Å; G32-H41 VanDerWaalsContact N-O 3.09Å; G32-H41 PolarHBondContact O-N 3.48Å; G32-S286 WeakPolarHBondContact CA-OG 3.43Å
33T97.5Very high96.5Very high1 Ų111.8 Ų11.81%0.0066%0.059CC..EExtended strand (participates in β ladder)trans-146.6152.7168.1-1740000110V26 T39 L114 S286V26-T33 HydrophobicContact CG2-CG2 3.77Å; V26-T33 PolarHBondContact N-O 2.67Å; V26-T33 PolarHBondContact O-N 3.17Å; T33-T39 PolarHBondContact OG1-O 2.84Å; T33-L114 HydrophobicContact CG2-CD1 4.15Å; T33-S286 VanDerWaalsContact C-CB 3.5Å; T33-S286 PolarHBondContact N-OG 2.94Å; T33-S286 VanDerWaalsContact N-OG 3.11Å; T33-S286 PolarHBondContact O-OG 3.43Å
34R96.9Very high96.3Very high12 Ų1211.4 Ų11.45%0.0456%0.058CC..EExtended strand (participates in β ladder)trans-75.8142.7155.5-75.5-179.4-63.9-148.12.8108.5T25 F36 H37 N287 E292T25-R34 HydrophobicContact CG2-CG 3.74Å; R34-F36 PolarHBondContact O-N 2.69Å; R34-H37 HydrophobicContact CB-CB 3.88Å; R34-H37 PolarHBondContact NE-CD2 3.17Å; R34-H37 PolarHBondContact NH2-CD2 2.95Å; R34-H37 PolarHBondContact NH2-NE2 3.28Å; R34-H37 WeakPolarHBondContact O-CB 3.49Å; R34-H37 PolarHBondContact O-N 3.32Å; R34-N287 WeakPolarHBondContact CD-OD1 3.31Å; R34-N287 PolarHBondContact NH1-OD1 2.77Å; R34-E292 IonicContact CZ-OE1 3.44Å; R34-E292 IonicContact NH1-OE1 2.63Å; R34-E292 PolarHBondContact NH1-OE1 2.82Å; R34-E292 IonicContact NH2-OE1 3.22Å; R34-E292 PolarHBondContact NH2-OE1 2.84Å; R34-E292 IonicContact NH2-OE2 3.3Å
35V96.4Very high96.3Very high1 Ų112.1 Ų12.11%0.0066%0.062CC..THydrogen-bonded Turntrans-61.3136.8177.5-64.10000110L23 A24 V26 H37 F89 I104L23-V35 HydrophobicContact CB-CG2 4.04Å; L23-V35 WeakPolarHBondContact CD1-O 3.38Å; L23-V35 HydrophobicContact CD2-CG2 4.42Å; A24-V35 HydrophobicContact CB-CG1 4.47Å; A24-V35 HydrophobicContact CB-CG2 4.18Å; A24-V35 WeakPolarHBondContact O-CG1 3.34Å; A24-V35 PolarHBondContact O-N 3.06Å; V26-V35 HydrophobicContact CG1-CG1 4.49Å; V35-H37 PolarHBondContact O-N 3.36Å; V35-F89 HydrophobicContact CB-CD1 4.1Å; V35-F89 HydrophobicContact CB-CE1 4.33Å; V35-F89 HydrophobicContact CB-CG 4.23Å; V35-F89 HydrophobicContact CG1-CB 3.63Å; V35-F89 HydrophobicContact CG1-CD1 3.82Å; V35-F89 HydrophobicContact CG1-CD2 4.15Å; V35-F89 HydrophobicContact CG1-CG 3.6Å; V35-F89 HydrophobicContact CG2-CD1 4.32Å; V35-F89 HydrophobicContact CG2-CD2 4.14Å; V35-F89 HydrophobicContact CG2-CE1 4.23Å; V35-F89 HydrophobicContact CG2-CE2 4.03Å; V35-F89 HydrophobicContact CG2-CG 4.27Å; V35-F89 HydrophobicContact CG2-CZ 4.07Å; V35-I104 HydrophobicContact CB-CD1 4.37Å; V35-I104 HydrophobicContact CG1-CB 4.49Å; V35-I104 HydrophobicContact CG1-CD1 4.45Å; V35-I104 HydrophobicContact CG1-CG2 4.36Å
36F95.4Very high96.3Very high13 Ų1312.1 Ų12.16%0.0576%0.062CC..THydrogen-bonded Turntrans60.517.4-176.7-44.9-55000115.9L16 R34 N63 V64 R65 F89 H91 I104L16-F36 HydrophobicContact CD1-CD2 3.99Å; L16-F36 HydrophobicContact CD1-CE2 3.96Å; L16-F36 HydrophobicContact CD2-CE2 4.46Å; R34-F36 PolarHBondContact O-N 2.69Å; F36-N63 VanDerWaalsContact O-CG 3.28Å; F36-N63 PolarHBondContact O-ND2 3.4Å; F36-N63 PolarHBondContact O-OD1 3.25Å; F36-N63 VanDerWaalsContact O-OD1 3.11Å; F36-V64 WeakPolarHBondContact CD1-O 3.35Å; F36-V64 WeakPolarHBondContact CE1-O 3.37Å; F36-R65 HydrophobicContact CD1-CG 3.85Å; F36-R65 HydrophobicContact CE1-CG 4.06Å; F36-R65 HydrophobicContact CG-CG 4.29Å; F36-F89 AromaticContact CE2-CE1 3.63Å; F36-F89 HydrophobicContact CE2-CE1 3.63Å; F36-F89 AromaticContact CE2-CZ 3.87Å; F36-F89 HydrophobicContact CE2-CZ 3.87Å; F36-F89 AromaticContact CZ-CE1 3.65Å; F36-F89 HydrophobicContact CZ-CE1 3.65Å; F36-F89 HydrophobicContact CZ-CZ 4.33Å; F36-H91 HydrophobicContact CZ-CB 4.44Å; F36-I104 HydrophobicContact CD1-CD1 4.12Å; F36-I104 HydrophobicContact CE1-CD1 3.75Å; F36-I104 HydrophobicContact CZ-CD1 4.33Å
37H95.4Very high96.3Very high48 Ų4812.5 Ų12.522%0.2227%0.065CC..  trans-84.8148.2173-158.2-67.5000111.3R34 V35 T39 S60R34-H37 HydrophobicContact CB-CB 3.88Å; R34-H37 PolarHBondContact NE-CD2 3.17Å; R34-H37 PolarHBondContact NH2-CD2 2.95Å; R34-H37 PolarHBondContact NH2-NE2 3.28Å; R34-H37 WeakPolarHBondContact O-CB 3.49Å; R34-H37 PolarHBondContact O-N 3.32Å; V35-H37 PolarHBondContact O-N 3.36Å; H37-T39 WeakPolarHBondContact ND1-CB 3.38Å; H37-T39 PolarHBondContact ND1-N 3.49Å; H37-T39 PolarHBondContact ND1-OG1 3.46Å; H37-T39 PolarHBondContact O-N 3.09Å; H37-S60 VanDerWaalsContact O-CB 3.25Å; H37-S60 WeakPolarHBondContact O-CB 3.25Å; H37-S60 PolarHBondContact O-OG 2.96Å
38D95.8Very high96.3Very high88 Ų8812.5 Ų12.547%0.4717%0.066SC..SBendtrans-70.3-3.4175.7-64.9-42.1000114.5P59 S60 N63D38-P59 WeakPolarHBondContact O-CA 3.31Å; D38-S60 PolarHBondContact O-N 3.33Å; D38-N63 PolarHBondContact OD1-ND2 3.33Å
39T96.3Very high96.4Very high8 Ų814.1 Ų14.15%0.0498%0.08CC..EExtended strand (participates in β ladder)trans-132.7136.5-169.2-53.90000109.2T33 H37 M57 L58T33-T39 PolarHBondContact OG1-O 2.84Å; H37-T39 WeakPolarHBondContact ND1-CB 3.38Å; H37-T39 PolarHBondContact ND1-N 3.49Å; H37-T39 PolarHBondContact ND1-OG1 3.46Å; H37-T39 PolarHBondContact O-N 3.09Å; T39-M57 HydrophobicContact CG2-CB 3.67Å; T39-M57 HydrophobicContact CG2-CG 3.83Å; T39-L58 CarbonylContact C-O 3.16Å; T39-L58 WeakPolarHBondContact CA-O 3.25Å
40L97.1Very high96.4Very high0 Ų015.5 Ų15.50%09%0.094CC..EExtended strand (participates in β ladder)trans-117.7149.1161.776.888.3000108.4L31 G32 V42 L58 L114 M178 T202 V204L31-L40 HydrophobicContact CD2-CD1 3.97Å; G32-L40 CarbonylContact O-C 3.54Å; G32-L40 WeakPolarHBondContact O-CA 3.39Å; L40-V42 HydrophobicContact CD1-CG2 4.1Å; L40-L58 HydrophobicContact CD1-CB 4.11Å; L40-L58 HydrophobicContact CD1-CD2 3.64Å; L40-L58 HydrophobicContact CD1-CG 4.36Å; L40-L58 HydrophobicContact CD2-CD2 4.25Å; L40-L58 HydrophobicContact CG-CB 4.12Å; L40-L58 HydrophobicContact CG-CD2 4.04Å; L40-L58 HydrophobicContact CG-CG 4.37Å; L40-L58 PolarHBondContact N-O 3.36Å; L40-L58 WeakPolarHBondContact O-CB 3.46Å; L40-L58 PolarHBondContact O-N 2.93Å; L40-L58 VanDerWaalsContact O-N 3.16Å; L40-L114 HydrophobicContact CB-CD1 4.2Å; L40-L114 HydrophobicContact CD2-CD1 4.17Å; L40-M178 HydrophobicContact CD2-SD 4.2Å; L40-T202 HydrophobicContact CD2-CG2 4.21Å; L40-V204 HydrophobicContact CD1-CG2 4.4Å
41H98Very high96.3Very high3 Ų315.2 Ų15.21%0.01410%0.101CC..EExtended strand (participates in β ladder)trans-110.3146.3178.4-61.9102.1000110.2L31 G32 L285 S289L31-H41 WeakPolarHBondContact CA-O 3.26Å; G32-H41 PolarHBondContact N-O 2.91Å; G32-H41 VanDerWaalsContact N-O 3.09Å; G32-H41 PolarHBondContact O-N 3.48Å; H41-L285 HydrophobicContact CB-CD1 4.35Å; H41-L285 WeakPolarHBondContact CB-O 3.18Å; H41-L285 PolarHBondContact ND1-O 3.41Å; H41-S289 PolarHBondContact CE1-OG 3.25Å; H41-S289 PolarHBondContact NE2-OG 3.37Å
42V97.3Very high96.2Very high5 Ų519.3 Ų19.33%0.0312%0.123CC..EExtended strand (participates in β ladder)trans-111.6131.1176.3-170.80000108.1Y30 L31 L40 G44 V45 L58 V204Y30-V42 HydrophobicContact CE1-CG1 3.97Å; Y30-V42 HydrophobicContact CE2-CG1 4.07Å; L31-V42 HydrophobicContact CD2-CB 4.28Å; L31-V42 HydrophobicContact CD2-CG1 4.18Å; L31-V42 HydrophobicContact CD2-CG2 3.8Å; L40-V42 HydrophobicContact CD1-CG2 4.1Å; V42-G44 PolarHBondContact O-N 2.74Å; V42-V45 HydrophobicContact CB-CB 4.03Å; V42-V45 HydrophobicContact CB-CG2 3.59Å; V42-V45 HydrophobicContact CG1-CG2 3.67Å; V42-V45 PolarHBondContact O-N 2.91Å; V42-V45 VanDerWaalsContact O-N 3.12Å; V42-L58 HydrophobicContact CG2-CD2 4.17Å; V42-V204 HydrophobicContact CG2-CG1 3.77Å
43S95.8Very high96.3Very high7 Ų719.3 Ų19.35%0.04912%0.123CC..THydrogen-bonded Turntrans-60.2132.1178-166.40000110.2A29 Y30 V45A29-S43 VanDerWaalsContact O-CB 3.31Å; A29-S43 WeakPolarHBondContact O-CB 3.47Å; A29-S43 PolarHBondContact O-OG 3.38Å; Y30-S43 PolarHBondContact O-N 3.18Å; S43-V45 VanDerWaalsContact C-N 3.26Å; S43-V45 PolarHBondContact O-N 3.27Å
44G94.4Very high96.3Very high5 Ų519.4 Ų19.45%0.05212%0.124CC..THydrogen-bonded Turntrans79.3-2.1-177.500000115.5V42 Q174 H278V42-G44 PolarHBondContact O-N 2.74Å; G44-Q174 PolarHBondContact O-OE1 3.1Å; G44-H278 VanDerWaalsContact CA-ND1 3.34Å; G44-H278 WeakPolarHBondContact CA-ND1 3.17Å
45V97Very high96.3Very high14 Ų1419 Ų199%0.08512%0.122CC..  trans-95103.6179.6-170.90000112V42 S43 R55 A56 T163 Q174 V176V42-V45 HydrophobicContact CB-CB 4.03Å; V42-V45 HydrophobicContact CB-CG2 3.59Å; V42-V45 HydrophobicContact CG1-CG2 3.67Å; V42-V45 PolarHBondContact O-N 2.91Å; V42-V45 VanDerWaalsContact O-N 3.12Å; S43-V45 VanDerWaalsContact C-N 3.26Å; S43-V45 PolarHBondContact O-N 3.27Å; V45-R55 WeakPolarHBondContact O-CA 3.34Å; V45-A56 HydrophobicContact CG1-CB 3.79Å; V45-A56 PolarHBondContact O-N 2.86Å; V45-T163 HydrophobicContact CG1-CG2 3.73Å; V45-Q174 HydrophobicContact CG1-CB 4.4Å; V45-V176 HydrophobicContact CB-CG2 4.48Å; V45-V176 HydrophobicContact CG1-CG2 3.8Å; V45-V176 HydrophobicContact CG2-CG2 3.9Å
46Y97.4Very high96.4Very high1 Ų119.1 Ų19.10%0.00412%0.123CC..EExtended strand (participates in β ladder)trans-118.5143.3-179.6-68-96.7000112.8T53 H54 R55 T163 Q174 G296 A351 D352Y46-T53 HydrophobicContact CD1-CG2 4.01Å; Y46-T53 HydrophobicContact CG-CG2 4.32Å; Y46-H54 CarbonylContact C-O 3.56Å; Y46-H54 WeakPolarHBondContact CA-O 3.31Å; Y46-H54 WeakPolarHBondContact CD1-O 3.46Å; Y46-R55 HydrophobicContact CD1-CG 4.29Å; Y46-R55 HydrophobicContact CE1-CG 3.72Å; Y46-R55 PolarHBondContact OH-NH1 3.13Å; Y46-T163 WeakPolarHBondContact O-CG2 3.11Å; Y46-Q174 PolarHBondContact O-NE2 3.37Å; Y46-G296 PolarHBondContact OH-O 3.4Å; Y46-A351 HydrophobicContact CD1-CB 3.85Å; Y46-A351 HydrophobicContact CD2-CB 4.32Å; Y46-A351 HydrophobicContact CE1-CB 4Å; Y46-A351 HydrophobicContact CE2-CB 4.44Å; Y46-A351 HydrophobicContact CG-CB 4.05Å; Y46-D352 HydrophobicContact CD2-CB 4.32Å
47N97.9Very high96.5Very high9 Ų921 Ų215%0.04813%0.133CC..EExtended strand (participates in β ladder)trans-123.9147.3174.1176.962.1000109.7T53 H54 A56 D144 T163 L164 T165N47-T53 CarbonylContact O-C 3.34Å; N47-T53 WeakPolarHBondContact O-CA 3.48Å; N47-H54 PolarHBondContact N-O 3.45Å; N47-H54 PolarHBondContact O-CE1 3.43Å; N47-H54 PolarHBondContact O-N 2.93Å; N47-H54 PolarHBondContact O-ND1 3.25Å; N47-A56 HydrophobicContact CB-CB 4.05Å; N47-D144 HydrophobicContact CB-CB 3.82Å; N47-D144 PolarHBondContact ND2-OD1 2.8Å; N47-D144 PolarHBondContact OD1-O 3.39Å; N47-T163 HydrophobicContact CB-CG2 4.37Å; N47-L164 PolarHBondContact OD1-N 3.23Å; N47-T165 PolarHBondContact OD1-N 3.15Å; N47-T165 PolarHBondContact OD1-O 2.82Å
48G97.1Very high96.6Very high6 Ų618.8 Ų18.86%0.06212%0.123CC..SBendtrans106.2170.3-178.600000111.7T165 P166 E167G48-T165 PolarHBondContact N-O 2.93Å; G48-P166 CarbonylContact O-C 3.54Å; G48-E167 WeakPolarHBondContact O-CA 3.48Å; G48-E167 PolarHBondContact O-N 3.01Å
49A95.4Very high96.7Very high39 Ų3915 Ų1532%0.32210%0.103SC..SBendtrans-130.5139.4-177.900000111.2G51 D52 T165 P166 E167A49-G51 PolarHBondContact O-N 3.19Å; A49-D52 PolarHBondContact O-N 3.28Å; A49-D52 VanDerWaalsContact O-N 3.11Å; A49-T165 HydrophobicContact CB-CG2 3.98Å; A49-P166 WeakPolarHBondContact CB-O 3.03Å; A49-E167 VanDerWaalsContact CA-O 3.27Å; A49-E167 WeakPolarHBondContact CA-O 3.42Å
50G93.6Very high96.8Very high30 Ų3014.6 Ų14.631%0.30910%0.101SC..G310 helixtrans52.3-130.1-176.700000111.5D52 T53 E167 V357G50-D52 PolarHBondContact O-N 3.43Å; G50-D52 VanDerWaalsContact O-N 3.07Å; G50-T53 PolarHBondContact N-OG1 3.3Å; G50-T53 VanDerWaalsContact O-CB 3.29Å; G50-T53 WeakPolarHBondContact O-CB 3.33Å; G50-T53 PolarHBondContact O-N 3.42Å; G50-T53 PolarHBondContact O-OG1 3.47Å; G50-E167 PolarHBondContact N-O 2.85Å; G50-E167 VanDerWaalsContact N-O 3.11Å; G50-V357 WeakPolarHBondContact O-CB 3.48Å
51G93.7Very high96.7Very high29 Ų2915.1 Ų15.130%0.29910%0.104SC..G310 helixtrans-60-13.5178.300000116.7A49 V357 P359A49-G51 PolarHBondContact O-N 3.19Å; G51-V357 WeakPolarHBondContact CA-O 3.48Å; G51-P359 WeakPolarHBondContact O-CG 3.23Å
52D95.6Very high96.6Very high86 Ų8615.1 Ų15.146%0.4610%0.104SC..G310 helixtrans-93.20176.3-86.3-39.5000113.1A49 G50 H54 R290A49-D52 PolarHBondContact O-N 3.28Å; A49-D52 VanDerWaalsContact O-N 3.11Å; G50-D52 PolarHBondContact O-N 3.43Å; G50-D52 VanDerWaalsContact O-N 3.07Å; D52-H54 PolarHBondContact O-ND1 3.3Å; D52-R290 IonicContact OD1-CZ 3.67Å; D52-R290 IonicContact OD1-NE 3.79Å; D52-R290 IonicContact OD1-NH2 2.72Å; D52-R290 PolarHBondContact OD1-NH2 3.03Å; D52-R290 IonicContact OD2-NH2 2.92Å
53T97.4Very high96.5Very high0 Ų015.6 Ų15.60%011%0.106CC..  trans-61.5137.3178.4-53.80000110.6Y46 N47 G50 E167 W295 H297 A351 V357Y46-T53 HydrophobicContact CD1-CG2 4.01Å; Y46-T53 HydrophobicContact CG-CG2 4.32Å; N47-T53 CarbonylContact O-C 3.34Å; N47-T53 WeakPolarHBondContact O-CA 3.48Å; G50-T53 PolarHBondContact N-OG1 3.3Å; G50-T53 VanDerWaalsContact O-CB 3.29Å; G50-T53 WeakPolarHBondContact O-CB 3.33Å; G50-T53 PolarHBondContact O-N 3.42Å; G50-T53 PolarHBondContact O-OG1 3.47Å; T53-E167 HydrophobicContact CG2-CG 4.11Å; T53-W295 WeakPolarHBondContact O-CB 3.25Å; T53-H297 PolarHBondContact O-CE1 2.89Å; T53-H297 VanDerWaalsContact O-CE1 3.26Å; T53-H297 PolarHBondContact O-NE2 2.88Å; T53-A351 HydrophobicContact CG2-CB 3.73Å; T53-V357 HydrophobicContact CG2-CG1 4.37Å
54H98Very high96.5Very high4 Ų415.3 Ų15.32%0.01910%0.104CC..EExtended strand (participates in β ladder)trans-156163.4174.747.1-71.8000111.8Y46 N47 D52 A56 D144 R290 W295Y46-H54 CarbonylContact C-O 3.56Å; Y46-H54 WeakPolarHBondContact CA-O 3.31Å; Y46-H54 WeakPolarHBondContact CD1-O 3.46Å; N47-H54 PolarHBondContact N-O 3.45Å; N47-H54 PolarHBondContact O-CE1 3.43Å; N47-H54 PolarHBondContact O-N 2.93Å; N47-H54 PolarHBondContact O-ND1 3.25Å; D52-H54 PolarHBondContact O-ND1 3.3Å; H54-A56 PolarHBondContact O-N 3.35Å; H54-D144 IonicContact CD2-OD2 3.4Å; H54-D144 IonicContact CE1-OD1 2.69Å; H54-D144 IonicContact NE2-OD1 2.88Å; H54-D144 PolarHBondContact NE2-OD1 3.25Å; H54-D144 IonicContact NE2-OD2 3.84Å; H54-R290 PolarHBondContact CD2-N 3.1Å; H54-W295 CarbonylContact C-O 3.54Å; H54-W295 VanDerWaalsContact CA-O 3.3Å; H54-W295 WeakPolarHBondContact CA-O 3.41Å; H54-W295 HydrophobicContact CB-CB 3.81Å; H54-W295 HydrophobicContact CB-CG 4.15Å
55R97.4Very high96.6Very high4 Ų420.1 Ų20.12%0.01512%0.121CC..EExtended strand (participates in β ladder)trans-60.7128.4170.7-67-176.7-167.5-77.9-2.6109.9V45 Y46 S281 L285 N287 G288 W295 G296V45-R55 WeakPolarHBondContact O-CA 3.34Å; Y46-R55 HydrophobicContact CD1-CG 4.29Å; Y46-R55 HydrophobicContact CE1-CG 3.72Å; Y46-R55 PolarHBondContact OH-NH1 3.13Å; R55-S281 PolarHBondContact NH2-OG 2.91Å; R55-L285 VanDerWaalsContact NH1-CD1 3.27Å; R55-N287 WeakPolarHBondContact CD-O 3.27Å; R55-G288 WeakPolarHBondContact CB-O 3.35Å; R55-G288 PolarHBondContact N-O 3.26Å; R55-W295 PolarHBondContact N-O 3.41Å; R55-G296 PolarHBondContact NH2-O 2.92Å
56A98.3Very high96.5Very high3 Ų319.6 Ų19.63%0.02512%0.117CC..  trans-67.1137-179.700000111.1V45 N47 H54 L58 D144 L145 T163V45-A56 HydrophobicContact CG1-CB 3.79Å; V45-A56 PolarHBondContact O-N 2.86Å; N47-A56 HydrophobicContact CB-CB 4.05Å; H54-A56 PolarHBondContact O-N 3.35Å; A56-L58 PolarHBondContact O-N 3.05Å; A56-D144 HydrophobicContact CB-CB 3.97Å; A56-L145 HydrophobicContact CB-CD1 4.49Å; A56-L145 HydrophobicContact CB-CD2 4.27Å; A56-L145 HydrophobicContact CB-CG 4.27Å; A56-T163 HydrophobicContact CB-CG2 4.01Å
57M97.9Very high96.3Very high51 Ų5122 Ų2225%0.25113%0.128SC..  trans-81.5104.4177.2-65.2-178.31500111.7T39 S142 P143 D144T39-M57 HydrophobicContact CG2-CB 3.67Å; T39-M57 HydrophobicContact CG2-CG 3.83Å; M57-S142 WeakPolarHBondContact O-CB 3.29Å; M57-S142 PolarHBondContact O-OG 3.49Å; M57-P143 HydrophobicContact CB-CG 4.49Å; M57-P143 HydrophobicContact CE-CG 3.44Å; M57-P143 VanDerWaalsContact CE-CG 3.44Å; M57-P143 HydrophobicContact SD-CG 4.07Å; M57-D144 WeakPolarHBondContact CB-OD2 3.48Å; M57-D144 VanDerWaalsContact CG-OD2 3.29Å; M57-D144 WeakPolarHBondContact CG-OD2 3.34Å; M57-D144 PolarHBondContact N-OD2 3.13Å
58L98.2Very high95.9Very high3 Ų322.8 Ų22.82%0.01614%0.136CC..EExtended strand (participates in β ladder)trans-88.2131.8168.5-17073.1000109.7T39 L40 V42 A56 S60 L145 L147 V176 M178 V204T39-L58 CarbonylContact C-O 3.16Å; T39-L58 WeakPolarHBondContact CA-O 3.25Å; L40-L58 HydrophobicContact CD1-CB 4.11Å; L40-L58 HydrophobicContact CD1-CD2 3.64Å; L40-L58 HydrophobicContact CD1-CG 4.36Å; L40-L58 HydrophobicContact CD2-CD2 4.25Å; L40-L58 HydrophobicContact CG-CB 4.12Å; L40-L58 HydrophobicContact CG-CD2 4.04Å; L40-L58 HydrophobicContact CG-CG 4.37Å; L40-L58 PolarHBondContact N-O 3.36Å; L40-L58 WeakPolarHBondContact O-CB 3.46Å; L40-L58 PolarHBondContact O-N 2.93Å; L40-L58 VanDerWaalsContact O-N 3.16Å; V42-L58 HydrophobicContact CG2-CD2 4.17Å; A56-L58 PolarHBondContact O-N 3.05Å; L58-S60 PolarHBondContact O-N 3.31Å; L58-L145 HydrophobicContact CB-CD1 4.16Å; L58-L145 HydrophobicContact CD1-CD1 3.63Å; L58-L147 HydrophobicContact CD1-CD1 4.22Å; L58-L147 HydrophobicContact CD1-CD2 4.23Å; L58-V176 HydrophobicContact CD1-CG1 3.97Å; L58-V176 HydrophobicContact CD2-CG1 4.06Å; L58-M178 HydrophobicContact CD2-CB 4.21Å; L58-M178 HydrophobicContact CD2-CG 4.42Å; L58-M178 HydrophobicContact CD2-SD 3.73Å; L58-M178 HydrophobicContact CG-SD 4.13Å; L58-V204 HydrophobicContact CD2-CG1 3.98Å; L58-V204 HydrophobicContact CD2-CG2 3.94Å
59P97.7Very high95.3Very high7 Ų724.1 Ų24.15%0.04514%0.144CC..EExtended strand (participates in β ladder)trans-64.1135.3-178.723.7-32.6000111.7D38 P61 F138 S139 L147 M178D38-P59 WeakPolarHBondContact O-CA 3.31Å; P59-P61 VanDerWaalsContact O-CD 3.24Å; P59-P61 WeakPolarHBondContact O-CD 3.45Å; P59-F138 HydrophobicContact CB-CE2 3.92Å; P59-F138 HydrophobicContact CG-CE2 4.39Å; P59-S139 WeakPolarHBondContact CB-O 3.42Å; P59-L147 HydrophobicContact CG-CD1 3.86Å; P59-M178 HydrophobicContact CG-CE 4.34Å
60S96.8Very high94.3Very high1 Ų127.4 Ų27.41%0.00717%0.171CC..  trans-95.7109.4-173.6-1760000112.7H37 D38 L58 L62 N63 F138H37-S60 VanDerWaalsContact O-CB 3.25Å; H37-S60 WeakPolarHBondContact O-CB 3.25Å; H37-S60 PolarHBondContact O-OG 2.96Å; D38-S60 PolarHBondContact O-N 3.33Å; L58-S60 PolarHBondContact O-N 3.31Å; S60-L62 PolarHBondContact O-N 3.36Å; S60-L62 VanDerWaalsContact O-N 3.15Å; S60-L62 PolarHBondContact OG-N 2.9Å; S60-N63 PolarHBondContact O-N 3.07Å; S60-F138 WeakPolarHBondContact O-CD2 3.33Å
61P96.2Very high93.2Very high10 Ų1029.4 Ų29.47%0.06519%0.192CC..THydrogen-bonded Turntrans-71.4-1.9171.331.9-36.6000112.7P59 V64 F138 M178 W180 T202P59-P61 VanDerWaalsContact O-CD 3.24Å; P59-P61 WeakPolarHBondContact O-CD 3.45Å; P61-V64 WeakPolarHBondContact O-CG2 3.43Å; P61-F138 VanDerWaalsContact CA-CD2 3.43Å; P61-F138 HydrophobicContact CB-CD2 3.9Å; P61-F138 HydrophobicContact CB-CE2 3.9Å; P61-F138 HydrophobicContact CB-CG 4.42Å; P61-F138 HydrophobicContact CB-CZ 4.46Å; P61-F138 HydrophobicContact CG-CE2 4.41Å; P61-M178 HydrophobicContact CG-SD 4.35Å; P61-W180 HydrophobicContact CB-CB 4.17Å; P61-W180 VanDerWaalsContact CB-CD1 3.45Å; P61-W180 HydrophobicContact CB-CD2 4.44Å; P61-W180 HydrophobicContact CB-CG 3.77Å; P61-W180 HydrophobicContact CG-CB 3.83Å; P61-W180 HydrophobicContact CG-CG 3.88Å; P61-T202 HydrophobicContact CG-CG2 3.67Å; P61-T202 WeakPolarHBondContact CG-OG1 3.23Å
62L95.3Very high92.1Very high3 Ų330.4 Ų30.42%0.01619%0.189CC..THydrogen-bonded Turntrans-85.4-5.6174.9-68.690000113S60 V64 I104 L114 F116 T202S60-L62 PolarHBondContact O-N 3.36Å; S60-L62 VanDerWaalsContact O-N 3.15Å; S60-L62 PolarHBondContact OG-N 2.9Å; L62-V64 PolarHBondContact O-N 2.87Å; L62-I104 HydrophobicContact CD2-CG2 3.89Å; L62-L114 HydrophobicContact CD1-CB 3.89Å; L62-L114 HydrophobicContact CD1-CD1 3.99Å; L62-L114 HydrophobicContact CD2-CB 3.84Å; L62-L114 HydrophobicContact CD2-CD1 4.49Å; L62-F116 HydrophobicContact CG-CD1 4.4Å; L62-T202 HydrophobicContact CD1-CG2 4.32Å; L62-T202 WeakPolarHBondContact CD1-OG1 3.31Å
63N95.6Very high90.4Very high16 Ų1628.1 Ų28.19%0.08619%0.186CC..  trans-72.474.6168.9-168.18.1000111.1F36 D38 S60 S136 A137F36-N63 VanDerWaalsContact O-CG 3.28Å; F36-N63 PolarHBondContact O-ND2 3.4Å; F36-N63 PolarHBondContact O-OD1 3.25Å; F36-N63 VanDerWaalsContact O-OD1 3.11Å; D38-N63 PolarHBondContact OD1-ND2 3.33Å; S60-N63 PolarHBondContact O-N 3.07Å; N63-S136 WeakPolarHBondContact O-CA 3.48Å; N63-S136 PolarHBondContact O-OG 3.27Å; N63-A137 PolarHBondContact O-N 2.86Å
64V96Very high88.6Confident0 Ų036.4 Ų36.40%023%0.225CC..EExtended strand (participates in β ladder)trans-130.3127.2178.9-179.60000107.3F36 P61 L62 Q102 F116 L134 R135 A183F36-V64 WeakPolarHBondContact CD1-O 3.35Å; F36-V64 WeakPolarHBondContact CE1-O 3.37Å; P61-V64 WeakPolarHBondContact O-CG2 3.43Å; L62-V64 PolarHBondContact O-N 2.87Å; V64-Q102 PolarHBondContact O-NE2 2.98Å; V64-Q102 PolarHBondContact O-OE1 2.91Å; V64-F116 HydrophobicContact CB-CE1 4.39Å; V64-F116 HydrophobicContact CB-CE2 4.48Å; V64-F116 HydrophobicContact CB-CZ 4.11Å; V64-F116 HydrophobicContact CG1-CE2 4.27Å; V64-F116 HydrophobicContact CG1-CZ 4.12Å; V64-F116 HydrophobicContact CG2-CE1 4.05Å; V64-F116 HydrophobicContact CG2-CZ 3.98Å; V64-L134 HydrophobicContact CG1-CB 3.77Å; V64-L134 HydrophobicContact CG1-CD1 4.47Å; V64-L134 HydrophobicContact CG1-CD2 4.23Å; V64-L134 HydrophobicContact CG1-CG 4.38Å; V64-R135 CarbonylContact C-O 3.54Å; V64-R135 VanDerWaalsContact CA-O 3.32Å; V64-R135 WeakPolarHBondContact CA-O 3.35Å; V64-A183 HydrophobicContact CG1-CB 4.4Å; V64-A183 HydrophobicContact CG2-CB 4.11Å
65R95.5Very high87.7Confident107 Ų10743.8 Ų43.840%0.40426%0.259SS..EExtended strand (participates in β ladder)trans-109.6131.7175.6-67.1-170.9178.2-159.8-0.7111.2F36 L134 R135F36-R65 HydrophobicContact CD1-CG 3.85Å; F36-R65 HydrophobicContact CE1-CG 4.06Å; F36-R65 HydrophobicContact CG-CG 4.29Å; R65-L134 WeakPolarHBondContact O-CA 3.48Å; R65-R135 PolarHBondContact N-O 3.4Å; R65-R135 PolarHBondContact O-N 2.87Å
66L95.5Very high87.3Confident2 Ų245.5 Ų45.51%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-76.1122.7170.8-177.866.4000110.1H91 L93 A100 Q102 V118 L132 L134L66-H91 PolarHBondContact O-CE1 3.25Å; L66-L93 HydrophobicContact CD2-CD1 4.27Å; L66-L93 HydrophobicContact CD2-CG 4.48Å; L66-L93 HydrophobicContact CG-CD1 4.04Å; L66-A100 HydrophobicContact CD2-CB 4.07Å; L66-Q102 HydrophobicContact CB-CB 4.1Å; L66-Q102 HydrophobicContact CD2-CB 4.2Å; L66-V118 HydrophobicContact CD1-CG1 4.03Å; L66-L132 HydrophobicContact CD1-CB 3.9Å; L66-L132 HydrophobicContact CD1-CD1 3.95Å; L66-L134 HydrophobicContact CD1-CD2 3.8Å
67E94.2Very high87.1Confident51 Ų5149.1 Ų49.124%0.23829%0.291CS..EExtended strand (participates in β ladder)trans-131.5143.2179.9-68.7177.8-167.100111.1L133 R135E67-L133 HydrophobicContact CB-CB 4.26Å; E67-L133 PolarHBondContact N-O 2.73Å; E67-L133 PolarHBondContact O-N 3.33Å; E67-R135 VanDerWaalsContact CD-NE 3.32Å; E67-R135 WeakPolarHBondContact OE1-CD 3.37Å; E67-R135 IonicContact OE1-CZ 3.33Å; E67-R135 IonicContact OE1-NE 2.94Å; E67-R135 PolarHBondContact OE1-NE 2.91Å; E67-R135 IonicContact OE1-NH2 3.27Å; E67-R135 IonicContact OE2-CZ 3.34Å; E67-R135 IonicContact OE2-NE 3.15Å; E67-R135 PolarHBondContact OE2-NE 3.48Å; E67-R135 IonicContact OE2-NH2 2.76Å; E67-R135 PolarHBondContact OE2-NH2 3.25Å
68A89.4Confident87Confident26 Ų2650.6 Ų50.622%0.21530%0.297CS..PPolyproline II helixtrans-85.7139.2167.600000110.3L76 L93 L132A68-L76 HydrophobicContact CB-CD1 3.32Å; A68-L93 HydrophobicContact CB-CD1 4.38Å; A68-L132 HydrophobicContact CB-CD2 4.08Å
69P83.4Confident86.9Confident34 Ų3452.3 Ų52.322%0.22131%0.308CS..PPolyproline II helixtrans-57.1150.6175.4-22.230.8000112.7G71 M72 T131 L133P69-G71 PolarHBondContact O-N 3.41Å; P69-M72 WeakPolarHBondContact O-CB 3.26Å; P69-M72 PolarHBondContact O-N 2.91Å; P69-T131 WeakPolarHBondContact CD-O 3.42Å; P69-T131 WeakPolarHBondContact CG-O 3.36Å; P69-L133 HydrophobicContact CG-CG 4.26Å
70A75.1Confident86.9Confident109 Ų10952.5 Ų52.590%0.90131%0.308SS*.THydrogen-bonded Turntrans-53.6131.2174.100000110.9M72A70-M72 VanDerWaalsContact C-N 3.35Å
71G71Confident87Confident72 Ų7253.1 Ų53.174%0.74231%0.313SS*.THydrogen-bonded Turntrans86.2-11.5-176.200000115.7P69P69-G71 PolarHBondContact O-N 3.41Å
72M70.1Confident87.1Confident49 Ų4952.6 Ų52.624%0.24131%0.31CS..THydrogen-bonded Turntrans-87.2-16163.2-79.5-151-178.800113P69 A70 F98P69-M72 WeakPolarHBondContact O-CB 3.26Å; P69-M72 PolarHBondContact O-N 2.91Å; A70-M72 VanDerWaalsContact C-N 3.35Å; M72-F98 HydrophobicContact SD-CE1 4.4Å
73G60.4Low87.2Confident38 Ų3853.9 Ų53.939%0.39232%0.316SS..  trans-87.5-7.8-169.400000116.9Q75 L76G73-Q75 PolarHBondContact O-N 3.29Å; G73-L76 PolarHBondContact O-N 3.39Å
74E59.5Low87.3Confident175 Ų17553.1 Ų53.182%0.81831%0.312SS*.THydrogen-bonded Turntrans-68.1103.3175.8-67.6-175.9-178.600108.2
75Q78Confident87.3Confident158 Ų15856.1 Ų56.174%0.73833%0.328SS*.THydrogen-bonded Turntrans94.722.3-174.2-51.6172.8-1.400117.6G73G73-Q75 PolarHBondContact O-N 3.29Å
76L89.6Confident87.4Confident41 Ų4152 Ų5222%0.21532%0.315CS..  trans-83.9128.1167.1-65.5178.4000111.5A68 G73 E94 F98A68-L76 HydrophobicContact CB-CD1 3.32Å; G73-L76 PolarHBondContact O-N 3.39Å; L76-E94 CarbonylContact C-O 3.53Å; L76-E94 WeakPolarHBondContact CA-O 3.27Å; L76-F98 HydrophobicContact CD1-CZ 4.11Å; L76-F98 HydrophobicContact CD2-CE1 4.23Å; L76-F98 HydrophobicContact CD2-CE2 4.4Å; L76-F98 HydrophobicContact CD2-CZ 3.83Å
77T93.5Very high87.5Confident79 Ų7952 Ų5249%0.48532%0.316SS..EExtended strand (participates in β ladder)trans-84.1126.4162.4-57.50000108.6E94T77-E94 PolarHBondContact N-O 3.26Å; T77-E94 PolarHBondContact O-N 3.08Å
78E95.3Very high87.7Confident81 Ų8149.6 Ų49.638%0.37930%0.304SS..EExtended strand (participates in β ladder)trans-106.1132175.8-172.9167.7-139.200109.6H14 F80 H91 T92 L93H14-E78 PolarHBondContact ND1-O 3.47Å; E78-F80 HydrophobicContact CG-CE2 3.71Å; E78-F80 HydrophobicContact CG-CZ 3.69Å; E78-F80 WeakPolarHBondContact OE1-CZ 3.35Å; E78-H91 IonicContact OE1-CD2 3.74Å; E78-H91 IonicContact OE1-CE1 3.64Å; E78-H91 PolarHBondContact OE1-CE1 3.34Å; E78-H91 IonicContact OE1-NE2 3.91Å; E78-H91 PolarHBondContact OE1-NE2 3.04Å; E78-T92 WeakPolarHBondContact CA-O 3.25Å; E78-L93 HydrophobicContact CB-CD2 4.07Å; E78-L93 HydrophobicContact CG-CD2 3.81Å
79T97Very high88.1Confident40 Ų4048.3 Ų48.325%0.24529%0.294CS..EExtended strand (participates in β ladder)trans-136.8133.5179.7-560000109.7A12 A13 H91 T92A12-T79 HydrophobicContact CB-CG2 4.36Å; A13-T79 CarbonylContact O-C 3.59Å; A13-T79 WeakPolarHBondContact O-CA 3.29Å; T79-H91 CarbonylContact O-C 3.56Å; T79-H91 WeakPolarHBondContact O-CA 3.18Å; T79-T92 PolarHBondContact N-O 3Å; T79-T92 PolarHBondContact O-N 3.32Å
80F97.9Very high88.8Confident11 Ų1148.9 Ų48.95%0.04830%0.295CS..EExtended strand (participates in β ladder)trans-112.7131.5171.7-54.3-83.1000108.2A12 A13 L16 E78 F89 L90 H91 F569A12-F80 CarbonylContact C-O 3.57Å; A12-F80 VanDerWaalsContact CA-O 3.27Å; A12-F80 WeakPolarHBondContact CA-O 3.45Å; A13-F80 PolarHBondContact N-O 2.86Å; A13-F80 PolarHBondContact O-N 2.8Å; L16-F80 HydrophobicContact CD1-CD1 4.49Å; L16-F80 HydrophobicContact CD1-CE1 4.07Å; L16-F80 HydrophobicContact CD1-CZ 4.31Å; L16-F80 HydrophobicContact CD2-CB 4.09Å; L16-F80 HydrophobicContact CD2-CD1 3.59Å; L16-F80 HydrophobicContact CD2-CD2 4.21Å; L16-F80 HydrophobicContact CD2-CE1 4Å; L16-F80 HydrophobicContact CD2-CG 3.68Å; L16-F80 HydrophobicContact CD2-CZ 4.49Å; L16-F80 HydrophobicContact CG-CD1 3.95Å; L16-F80 HydrophobicContact CG-CD2 4.16Å; L16-F80 HydrophobicContact CG-CE1 3.85Å; L16-F80 HydrophobicContact CG-CE2 4.1Å; L16-F80 HydrophobicContact CG-CG 4.08Å; L16-F80 HydrophobicContact CG-CZ 3.94Å; E78-F80 HydrophobicContact CG-CE2 3.71Å; E78-F80 HydrophobicContact CG-CZ 3.69Å; E78-F80 WeakPolarHBondContact OE1-CZ 3.35Å; F80-F89 HydrophobicContact CB-CE2 4.26Å; F80-F89 HydrophobicContact CB-CZ 4.11Å; F80-F89 AromaticContact CD1-CZ 3.84Å; F80-F89 HydrophobicContact CD1-CZ 3.84Å; F80-F89 HydrophobicContact CG-CZ 4.44Å; F80-L90 CarbonylContact C-O 3.6Å; F80-L90 WeakPolarHBondContact CA-O 3.45Å; F80-H91 HydrophobicContact CD1-CB 3.99Å; F80-H91 AromaticContact CD1-CD2 3.6Å; F80-H91 AromaticContact CD1-CG 3.89Å; F80-H91 HydrophobicContact CE1-CB 4.18Å; F80-H91 AromaticContact CE1-CD2 3.18Å; F80-H91 WeakPolarHBondContact CE1-CD2 3.33Å; F80-H91 AromaticContact CE1-CE1 3.98Å; F80-H91 AromaticContact CE1-CG 3.6Å; F80-H91 AromaticContact CE1-NE2 3.47Å; F80-H91 WeakPolarHBondContact CE1-NE2 3.21Å; F80-H91 AromaticContact CZ-CD2 3.78Å; F80-H91 AromaticContact CZ-NE2 3.72Å; F80-F569 HydrophobicContact CB-CE1 4.34Å; F80-F569 HydrophobicContact CB-CZ 3.95Å
81A97.8Very high89.9Confident13 Ų1344 Ų4411%0.10725%0.253CS..EExtended strand (participates in β ladder)trans-139.6138-179.500000111.6T10 F11 A12 F89 L90T10-A81 HydrophobicContact CG2-CB 4.06Å; F11-A81 CarbonylContact O-C 3.57Å; F11-A81 WeakPolarHBondContact O-CA 3.4Å; A12-A81 HydrophobicContact CB-CB 4.08Å; A81-F89 CarbonylContact O-C 3.5Å; A81-F89 WeakPolarHBondContact O-CA 3.44Å; A81-L90 HydrophobicContact CB-CB 4.5Å; A81-L90 PolarHBondContact N-O 3.2Å; A81-L90 PolarHBondContact O-N 2.92Å
82L98.3Very high91.2Very high0 Ų041.8 Ų41.80%023%0.226CC..EExtended strand (participates in β ladder)trans-99112.7161.2178.663.7000108.1F11 A24 Y261 Y262 F569F11-L82 HydrophobicContact CB-CB 4.41Å; F11-L82 HydrophobicContact CD2-CB 4.44Å; F11-L82 HydrophobicContact CD2-CD2 4.14Å; F11-L82 PolarHBondContact N-O 3.28Å; F11-L82 PolarHBondContact O-N 2.91Å; A24-L82 HydrophobicContact CB-CB 4.48Å; A24-L82 HydrophobicContact CB-CD1 4.33Å; A24-L82 HydrophobicContact CB-CD2 4.31Å; L82-Y261 HydrophobicContact CD1-CE1 4.22Å; L82-Y261 HydrophobicContact CD2-CD1 4.25Å; L82-Y261 HydrophobicContact CD2-CE1 3.79Å; L82-Y261 HydrophobicContact CG-CE1 4.38Å; L82-Y262 HydrophobicContact CD2-CE1 4.32Å; L82-Y262 VanDerWaalsContact CD2-OH 3.25Å; L82-Y262 WeakPolarHBondContact CD2-OH 3.4Å; L82-F569 HydrophobicContact CB-CD1 3.84Å; L82-F569 HydrophobicContact CD2-CB 4.34Å
83D97.9Very high92.4Very high29 Ų2939.9 Ų39.916%0.15522%0.216CC..EExtended strand (participates in β ladder)trans-91.9106.5173.2176.23.8000109.3N85 T86 G87 S88 L90D83-N85 VanDerWaalsContact C-N 3.31Å; D83-N85 PolarHBondContact O-N 2.96Å; D83-N85 WeakPolarHBondContact OD1-CA 3.46Å; D83-N85 VanDerWaalsContact OD1-CB 3.26Å; D83-N85 WeakPolarHBondContact OD1-CB 3.43Å; D83-N85 PolarHBondContact OD1-N 3.33Å; D83-T86 PolarHBondContact O-N 2.9Å; D83-T86 PolarHBondContact OD1-N 3.46Å; D83-T86 WeakPolarHBondContact OD2-CG2 3.11Å; D83-T86 PolarHBondContact OD2-OG1 3.06Å; D83-G87 WeakPolarHBondContact O-CA 3.27Å; D83-G87 PolarHBondContact O-N 2.81Å; D83-S88 PolarHBondContact N-O 3.42Å; D83-S88 PolarHBondContact O-N 3.34Å; D83-S88 VanDerWaalsContact O-N 3.14Å; D83-L90 HydrophobicContact CB-CD1 4.16Å
84T97.6Very high94.1Very high0 Ų041.3 Ų41.30%021%0.213CC..THydrogen-bonded Turntrans-75.6-16.8179.566.30000113.2T9 F11 T86 W239 R257 Y261T9-T84 WeakPolarHBondContact CA-OG1 3.23Å; T9-T84 WeakPolarHBondContact CB-OG1 3.43Å; T9-T84 WeakPolarHBondContact O-CB 3.49Å; T9-T84 PolarHBondContact O-N 3.22Å; T9-T84 PolarHBondContact O-OG1 3.12Å; F11-T84 HydrophobicContact CD2-CG2 4.27Å; F11-T84 HydrophobicContact CE2-CG2 3.68Å; F11-T84 HydrophobicContact CZ-CG2 3.94Å; T84-T86 VanDerWaalsContact C-N 3.3Å; T84-W239 WeakPolarHBondContact O-CZ2 3.44Å; T84-W239 PolarHBondContact O-NE1 3.2Å; T84-R257 PolarHBondContact O-NH2 2.65Å; T84-R257 WeakPolarHBondContact OG1-CG 3.48Å; T84-R257 PolarHBondContact OG1-NE 3.39Å; T84-Y261 HydrophobicContact CG2-CD1 4.08Å; T84-Y261 HydrophobicContact CG2-CD2 4.33Å; T84-Y261 HydrophobicContact CG2-CG 3.79Å
85N96.8Very high95.6Very high63 Ų6333.4 Ų33.434%0.33718%0.179SC..THydrogen-bonded Turntrans-69.6-31.8172.7-72.1-44.2000112.1T9 D83 W235 R257T9-N85 WeakPolarHBondContact CB-ND2 3.13Å; T9-N85 PolarHBondContact OG1-ND2 3.44Å; D83-N85 VanDerWaalsContact C-N 3.31Å; D83-N85 PolarHBondContact O-N 2.96Å; D83-N85 WeakPolarHBondContact OD1-CA 3.46Å; D83-N85 VanDerWaalsContact OD1-CB 3.26Å; D83-N85 WeakPolarHBondContact OD1-CB 3.43Å; D83-N85 PolarHBondContact OD1-N 3.33Å; N85-W235 WeakPolarHBondContact O-CB 3.48Å; N85-R257 PolarHBondContact OD1-NH2 2.83Å
86T97.1Very high96.1Very high20 Ų2030 Ų3012%0.12317%0.17CC..THydrogen-bonded Turntrans-110.9-5.7-178.858.60000112.7D83 T84 S88 H231 A232 W235D83-T86 PolarHBondContact O-N 2.9Å; D83-T86 PolarHBondContact OD1-N 3.46Å; D83-T86 WeakPolarHBondContact OD2-CG2 3.11Å; D83-T86 PolarHBondContact OD2-OG1 3.06Å; T84-T86 VanDerWaalsContact C-N 3.3Å; T86-S88 PolarHBondContact O-N 3.3Å; T86-S88 PolarHBondContact O-OG 2.87Å; T86-S88 WeakPolarHBondContact OG1-CB 3.29Å; T86-H231 PolarHBondContact O-CE1 2.82Å; T86-H231 PolarHBondContact O-NE2 3.12Å; T86-A232 HydrophobicContact CG2-CB 3.98Å; T86-W235 VanDerWaalsContact C-CD1 3.42Å; T86-W235 PolarHBondContact O-NE1 3.47Å
87G97.7Very high96.1Very high3 Ų333.8 Ų33.83%0.03118%0.182CC..THydrogen-bonded Turntrans5641.1-17600000112.8D83 Y261D83-G87 WeakPolarHBondContact O-CA 3.27Å; D83-G87 PolarHBondContact O-N 2.81Å; G87-Y261 VanDerWaalsContact CA-CE2 3.48Å
88S98.3Very high96.1Very high0 Ų030.1 Ų30.10%016%0.159CC..EExtended strand (participates in β ladder)trans-128138.9-171.6-65.60000110.6D83 T86 Y228 H231D83-S88 PolarHBondContact N-O 3.42Å; D83-S88 PolarHBondContact O-N 3.34Å; D83-S88 VanDerWaalsContact O-N 3.14Å; T86-S88 PolarHBondContact O-N 3.3Å; T86-S88 PolarHBondContact O-OG 2.87Å; T86-S88 WeakPolarHBondContact OG1-CB 3.29Å; S88-Y228 WeakPolarHBondContact OG-CE2 3.43Å; S88-H231 PolarHBondContact OG-NE2 2.85Å
89F98.6Very high96.1Very high0 Ų031.8 Ų31.80%016%0.162CC..EExtended strand (participates in β ladder)trans-94.5129.7170.9174.9-94.6000110.1L16 A24 V26 V35 F36 F80 A81 H91 C103 I104 F569L16-F89 HydrophobicContact CD2-CZ 4.08Å; A24-F89 HydrophobicContact CB-CD2 3.83Å; A24-F89 HydrophobicContact CB-CE2 4.37Å; V26-F89 HydrophobicContact CG1-CB 4.46Å; V35-F89 HydrophobicContact CB-CD1 4.1Å; V35-F89 HydrophobicContact CB-CE1 4.33Å; V35-F89 HydrophobicContact CB-CG 4.23Å; V35-F89 HydrophobicContact CG1-CB 3.63Å; V35-F89 HydrophobicContact CG1-CD1 3.82Å; V35-F89 HydrophobicContact CG1-CD2 4.15Å; V35-F89 HydrophobicContact CG1-CG 3.6Å; V35-F89 HydrophobicContact CG2-CD1 4.32Å; V35-F89 HydrophobicContact CG2-CD2 4.14Å; V35-F89 HydrophobicContact CG2-CE1 4.23Å; V35-F89 HydrophobicContact CG2-CE2 4.03Å; V35-F89 HydrophobicContact CG2-CG 4.27Å; V35-F89 HydrophobicContact CG2-CZ 4.07Å; F36-F89 AromaticContact CE2-CE1 3.63Å; F36-F89 HydrophobicContact CE2-CE1 3.63Å; F36-F89 AromaticContact CE2-CZ 3.87Å; F36-F89 HydrophobicContact CE2-CZ 3.87Å; F36-F89 AromaticContact CZ-CE1 3.65Å; F36-F89 HydrophobicContact CZ-CE1 3.65Å; F36-F89 HydrophobicContact CZ-CZ 4.33Å; F80-F89 HydrophobicContact CB-CE2 4.26Å; F80-F89 HydrophobicContact CB-CZ 4.11Å; F80-F89 AromaticContact CD1-CZ 3.84Å; F80-F89 HydrophobicContact CD1-CZ 3.84Å; F80-F89 HydrophobicContact CG-CZ 4.44Å; A81-F89 CarbonylContact O-C 3.5Å; A81-F89 WeakPolarHBondContact O-CA 3.44Å; F89-H91 HydrophobicContact CE1-CB 4.12Å; F89-C103 CarbonylContact O-C 3.52Å; F89-C103 VanDerWaalsContact O-CA 3.23Å; F89-C103 WeakPolarHBondContact O-CA 3.45Å; F89-I104 HydrophobicContact CB-CB 4.45Å; F89-I104 HydrophobicContact CD1-CB 4.5Å; F89-I104 HydrophobicContact CD1-CD1 4.25Å; F89-I104 PolarHBondContact N-O 3.23Å; F89-I104 PolarHBondContact O-N 2.92Å; F89-F569 HydrophobicContact CD2-CE1 4.45Å; F89-F569 HydrophobicContact CD2-CZ 4.49Å; F89-F569 AromaticContact CE2-CE1 3.91Å; F89-F569 HydrophobicContact CE2-CE1 3.91Å; F89-F569 HydrophobicContact CE2-CE2 4.23Å; F89-F569 AromaticContact CE2-CZ 3.62Å; F89-F569 HydrophobicContact CE2-CZ 3.62Å; F89-F569 HydrophobicContact CZ-CZ 4.49Å
90L98.2Very high96.1Very high46 Ų4629.9 Ų29.924%0.24115%0.15CC..EExtended strand (participates in β ladder)trans-116.9129.2-179.4-73.580.7000110.5F80 A81 D83 Q102 C103F80-L90 CarbonylContact C-O 3.6Å; F80-L90 WeakPolarHBondContact CA-O 3.45Å; A81-L90 HydrophobicContact CB-CB 4.5Å; A81-L90 PolarHBondContact N-O 3.2Å; A81-L90 PolarHBondContact O-N 2.92Å; D83-L90 HydrophobicContact CB-CD1 4.16Å; L90-Q102 CarbonylContact C-O 3.51Å; L90-Q102 WeakPolarHBondContact CA-O 3.43Å; L90-C103 HydrophobicContact CG-CB 4.43Å
91H97.9Very high96.1Very high5 Ų530.7 Ų30.72%0.02316%0.157CC..EExtended strand (participates in β ladder)trans-114.2118.8165.7170.4-152.7000108.2F36 L66 E78 T79 F80 F89 S101 Q102F36-H91 HydrophobicContact CZ-CB 4.44Å; L66-H91 PolarHBondContact O-CE1 3.25Å; E78-H91 IonicContact OE1-CD2 3.74Å; E78-H91 IonicContact OE1-CE1 3.64Å; E78-H91 PolarHBondContact OE1-CE1 3.34Å; E78-H91 IonicContact OE1-NE2 3.91Å; E78-H91 PolarHBondContact OE1-NE2 3.04Å; T79-H91 CarbonylContact O-C 3.56Å; T79-H91 WeakPolarHBondContact O-CA 3.18Å; F80-H91 HydrophobicContact CD1-CB 3.99Å; F80-H91 AromaticContact CD1-CD2 3.6Å; F80-H91 AromaticContact CD1-CG 3.89Å; F80-H91 HydrophobicContact CE1-CB 4.18Å; F80-H91 AromaticContact CE1-CD2 3.18Å; F80-H91 WeakPolarHBondContact CE1-CD2 3.33Å; F80-H91 AromaticContact CE1-CE1 3.98Å; F80-H91 AromaticContact CE1-CG 3.6Å; F80-H91 AromaticContact CE1-NE2 3.47Å; F80-H91 WeakPolarHBondContact CE1-NE2 3.21Å; F80-H91 AromaticContact CZ-CD2 3.78Å; F80-H91 AromaticContact CZ-NE2 3.72Å; F89-H91 HydrophobicContact CE1-CB 4.12Å; H91-S101 CarbonylContact O-C 3.59Å; H91-S101 VanDerWaalsContact O-CA 3.24Å; H91-S101 WeakPolarHBondContact O-CA 3.41Å; H91-Q102 HydrophobicContact CB-CB 4.36Å; H91-Q102 PolarHBondContact N-O 2.82Å; H91-Q102 PolarHBondContact O-N 3.49Å
92T97.6Very high96.1Very high26 Ų2630.1 Ų30.116%0.1615%0.152CC..EExtended strand (participates in β ladder)trans-118.8131.2-175.7-57.10000110.6E78 T79 E94 R99 A100E78-T92 WeakPolarHBondContact CA-O 3.25Å; T79-T92 PolarHBondContact N-O 3Å; T79-T92 PolarHBondContact O-N 3.32Å; T92-E94 HydrophobicContact CG2-CB 4.5Å; T92-R99 HydrophobicContact CG2-CG 4.01Å; T92-A100 CarbonylContact C-O 3.58Å; T92-A100 WeakPolarHBondContact CA-O 3.22Å
93L96.3Very high96.1Very high9 Ų930.5 Ų30.55%0.04716%0.155CC..EExtended strand (participates in β ladder)trans-109.5118.5167.4-59.7178000108.1L66 A68 E78 R99 A100L66-L93 HydrophobicContact CD2-CD1 4.27Å; L66-L93 HydrophobicContact CD2-CG 4.48Å; L66-L93 HydrophobicContact CG-CD1 4.04Å; A68-L93 HydrophobicContact CB-CD1 4.38Å; E78-L93 HydrophobicContact CB-CD2 4.07Å; E78-L93 HydrophobicContact CG-CD2 3.81Å; L93-R99 WeakPolarHBondContact O-CA 3.45Å; L93-A100 PolarHBondContact N-O 2.93Å; L93-A100 PolarHBondContact O-N 3.44Å
94E95.1Very high96.1Very high68 Ų6829.2 Ų29.232%0.31815%0.148SC..EExtended strand (participates in β ladder)trans-127.5129.7-178.1-177.1167157.300111.2L76 T77 T92 R99 L123L76-E94 CarbonylContact C-O 3.53Å; L76-E94 WeakPolarHBondContact CA-O 3.27Å; T77-E94 PolarHBondContact N-O 3.26Å; T77-E94 PolarHBondContact O-N 3.08Å; T92-E94 HydrophobicContact CG2-CB 4.5Å; E94-R99 IonicContact OE1-CZ 2.78Å; E94-R99 IonicContact OE1-NE 3.33Å; E94-R99 IonicContact OE1-NH2 3.72Å; E94-R99 PolarHBondContact OE1-NH2 3.17Å; E94-R99 IonicContact OE2-CZ 3.83Å; E94-R99 IonicContact OE2-NE 2.69Å; E94-R99 PolarHBondContact OE2-NE 3.08Å; E94-R99 IonicContact OE2-NH2 2.93Å; E94-R99 PolarHBondContact OE2-NH2 2.91Å; E94-L123 HydrophobicContact CG-CD1 4.36Å
95G91.4Very high96.2Very high10 Ų1029.2 Ų29.210%0.10315%0.148CC..  trans-142.9-172.2172.700000111.6R97 F98 L123G95-R97 VanDerWaalsContact C-N 3.26Å; G95-R97 PolarHBondContact O-N 3.09Å; G95-F98 PolarHBondContact N-O 3.24Å; G95-L123 WeakPolarHBondContact O-CD1 3.35Å
96P88.8Confident96.2Very high86 Ų8626.3 Ų26.356%0.55813%0.133SC*.SBendtrans-65.9-26.2-175.724-33.4000113.8
97R89Confident96.2Very high121 Ų12125.3 Ų25.346%0.45713%0.127SC..SBendtrans-95.5-31.8-174.5-65.8-170.4-63.2163.81.6113.9G95 L123 A124G95-R97 VanDerWaalsContact C-N 3.26Å; G95-R97 PolarHBondContact O-N 3.09Å; R97-L123 PolarHBondContact O-N 3.35Å; R97-A124 PolarHBondContact O-N 2.88Å
98F92.9Very high96.1Very high2 Ų225.8 Ų25.81%0.00913%0.128CC..EExtended strand (participates in β ladder)trans-155.2158.4-172.172.2-92.8000111.4M72 L76 G95 A100 A121 I130 L132M72-F98 HydrophobicContact SD-CE1 4.4Å; L76-F98 HydrophobicContact CD1-CZ 4.11Å; L76-F98 HydrophobicContact CD2-CE1 4.23Å; L76-F98 HydrophobicContact CD2-CE2 4.4Å; L76-F98 HydrophobicContact CD2-CZ 3.83Å; G95-F98 PolarHBondContact N-O 3.24Å; F98-A100 HydrophobicContact CD2-CB 4.05Å; F98-A100 HydrophobicContact CE2-CB 4.05Å; F98-A121 CarbonylContact C-O 3.56Å; F98-A121 WeakPolarHBondContact CA-O 3.44Å; F98-A121 WeakPolarHBondContact CB-O 3.37Å; F98-I130 HydrophobicContact CB-CD1 3.72Å; F98-I130 HydrophobicContact CB-CG1 4.47Å; F98-I130 HydrophobicContact CB-CG2 4.19Å; F98-I130 HydrophobicContact CD1-CG2 3.85Å; F98-I130 HydrophobicContact CD2-CG2 4.27Å; F98-I130 HydrophobicContact CE1-CG2 4.31Å; F98-I130 HydrophobicContact CG-CD1 4.48Å; F98-I130 HydrophobicContact CG-CG2 3.85Å; F98-L132 HydrophobicContact CE2-CD1 4.14Å; F98-L132 HydrophobicContact CE2-CD2 3.85Å; F98-L132 HydrophobicContact CZ-CD2 3.79Å
99R95.5Very high95.9Very high115 Ų11527.9 Ų27.943%0.43414%0.141SC..EExtended strand (participates in β ladder)trans-119130.9162.7176-177.8-72.8167-0.7107.6T92 L93 E94 A121 L123T92-R99 HydrophobicContact CG2-CG 4.01Å; L93-R99 WeakPolarHBondContact O-CA 3.45Å; E94-R99 IonicContact OE1-CZ 2.78Å; E94-R99 IonicContact OE1-NE 3.33Å; E94-R99 IonicContact OE1-NH2 3.72Å; E94-R99 PolarHBondContact OE1-NH2 3.17Å; E94-R99 IonicContact OE2-CZ 3.83Å; E94-R99 IonicContact OE2-NE 2.69Å; E94-R99 PolarHBondContact OE2-NE 3.08Å; E94-R99 IonicContact OE2-NH2 2.93Å; E94-R99 PolarHBondContact OE2-NH2 2.91Å; R99-A121 PolarHBondContact N-O 2.88Å; R99-A121 PolarHBondContact O-N 3.43Å; R99-L123 HydrophobicContact CB-CD1 4Å; R99-L123 HydrophobicContact CB-CD2 4.4Å; R99-L123 HydrophobicContact CB-CG 4.28Å
100A97.1Very high95.7Very high0 Ų028.3 Ų28.30%014%0.143CC..EExtended strand (participates in β ladder)trans-127141172.300000110.4L66 T92 L93 F98 S119 I120 L132L66-A100 HydrophobicContact CD2-CB 4.07Å; T92-A100 CarbonylContact C-O 3.58Å; T92-A100 WeakPolarHBondContact CA-O 3.22Å; L93-A100 PolarHBondContact N-O 2.93Å; L93-A100 PolarHBondContact O-N 3.44Å; F98-A100 HydrophobicContact CD2-CB 4.05Å; F98-A100 HydrophobicContact CE2-CB 4.05Å; A100-S119 CarbonylContact C-O 3.59Å; A100-S119 WeakPolarHBondContact CA-O 3.44Å; A100-I120 HydrophobicContact CB-CG1 4.15Å; A100-L132 HydrophobicContact CB-CD1 3.14Å
101S97.7Very high95.5Very high29 Ų2927.7 Ų27.720%0.20314%0.141CC..EExtended strand (participates in β ladder)trans-135.1135.5178.558.30000111.4H91 V118 S119H91-S101 CarbonylContact O-C 3.59Å; H91-S101 VanDerWaalsContact O-CA 3.24Å; H91-S101 WeakPolarHBondContact O-CA 3.41Å; S101-V118 CarbonylContact O-C 3.56Å; S101-V118 VanDerWaalsContact O-CA 3.3Å; S101-V118 WeakPolarHBondContact O-CA 3.38Å; S101-S119 PolarHBondContact N-O 3.49Å; S101-S119 PolarHBondContact O-N 2.9Å
102Q98.2Very high95.4Very high1 Ų128.8 Ų28.81%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-100.3128163.8-177.5-178.914.600108.3V64 L66 L90 H91 I104 F116 R117 V118V64-Q102 PolarHBondContact O-NE2 2.98Å; V64-Q102 PolarHBondContact O-OE1 2.91Å; L66-Q102 HydrophobicContact CB-CB 4.1Å; L66-Q102 HydrophobicContact CD2-CB 4.2Å; L90-Q102 CarbonylContact C-O 3.51Å; L90-Q102 WeakPolarHBondContact CA-O 3.43Å; H91-Q102 HydrophobicContact CB-CB 4.36Å; H91-Q102 PolarHBondContact N-O 2.82Å; H91-Q102 PolarHBondContact O-N 3.49Å; Q102-I104 HydrophobicContact CG-CG1 4.23Å; Q102-F116 HydrophobicContact CG-CD2 4.34Å; Q102-R117 CarbonylContact C-O 3.24Å; Q102-R117 VanDerWaalsContact CA-O 3.22Å; Q102-R117 WeakPolarHBondContact CA-O 3.29Å; Q102-V118 HydrophobicContact CG-CG2 4.39Å
103C98.4Very high95.4Very high8 Ų827.6 Ų27.65%0.05414%0.139CC..EExtended strand (participates in β ladder)trans-119.6117.1176.7176.90000109.3F89 L90 F116 R117 Y228F89-C103 CarbonylContact O-C 3.52Å; F89-C103 VanDerWaalsContact O-CA 3.23Å; F89-C103 WeakPolarHBondContact O-CA 3.45Å; L90-C103 HydrophobicContact CG-CB 4.43Å; C103-F116 CarbonylContact O-C 3.55Å; C103-F116 WeakPolarHBondContact O-CA 3.28Å; C103-R117 HydrophobicContact CB-CB 4.27Å; C103-R117 PolarHBondContact N-O 2.7Å; C103-R117 PolarHBondContact O-N 3.06Å; C103-Y228 VanDerWaalsContact SG-CE2 3.53Å
104I98.6Very high95.5Very high1 Ų127.1 Ų27.11%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-108.1130.1-179.7-58.3174.1000108.7V26 V35 F36 L62 F89 Q102 F116V26-I104 HydrophobicContact CG2-CG2 4.2Å; V35-I104 HydrophobicContact CB-CD1 4.37Å; V35-I104 HydrophobicContact CG1-CB 4.49Å; V35-I104 HydrophobicContact CG1-CD1 4.45Å; V35-I104 HydrophobicContact CG1-CG2 4.36Å; F36-I104 HydrophobicContact CD1-CD1 4.12Å; F36-I104 HydrophobicContact CE1-CD1 3.75Å; F36-I104 HydrophobicContact CZ-CD1 4.33Å; L62-I104 HydrophobicContact CD2-CG2 3.89Å; F89-I104 HydrophobicContact CB-CB 4.45Å; F89-I104 HydrophobicContact CD1-CB 4.5Å; F89-I104 HydrophobicContact CD1-CD1 4.25Å; F89-I104 PolarHBondContact N-O 3.23Å; F89-I104 PolarHBondContact O-N 2.92Å; Q102-I104 HydrophobicContact CG-CG1 4.23Å; I104-F116 HydrophobicContact CB-CB 4.46Å; I104-F116 HydrophobicContact CG1-CB 3.85Å
105Y98.4Very high95.6Very high0 Ų023.9 Ų23.90%012%0.122CC..EExtended strand (participates in β ladder)trans-154.6150.4-176.959.3-80000113.2H107 A115 R117 L227 Y228 H231Y105-H107 AromaticContact CE2-CD2 3.95Å; Y105-A115 HydrophobicContact CD2-CB 4.47Å; Y105-A115 HydrophobicContact CE1-CB 3.93Å; Y105-A115 HydrophobicContact CE2-CB 3.89Å; Y105-A115 PolarHBondContact N-O 3.38Å; Y105-A115 PolarHBondContact O-N 3.28Å; Y105-R117 HydrophobicContact CE1-CB 4.44Å; Y105-L227 WeakPolarHBondContact OH-CD2 3.4Å; Y105-Y228 AromaticContact CD1-CD2 3.99Å; Y105-Y228 HydrophobicContact CD1-CD2 3.99Å; Y105-Y228 HydrophobicContact CD1-CE2 4.21Å; Y105-Y228 HydrophobicContact CD2-CD2 4.49Å; Y105-Y228 AromaticContact CE1-CD2 3.68Å; Y105-Y228 HydrophobicContact CE1-CD2 3.68Å; Y105-Y228 HydrophobicContact CE1-CE2 4.34Å; Y105-Y228 HydrophobicContact CE2-CD2 4.18Å; Y105-Y228 HydrophobicContact CG-CD2 4.4Å; Y105-Y228 AromaticContact CZ-CD2 3.78Å; Y105-H231 WeakPolarHBondContact CB-NE2 3.39Å; Y105-H231 HydrophobicContact CD2-CB 4.26Å; Y105-H231 AromaticContact CD2-CD2 3.32Å; Y105-H231 WeakPolarHBondContact CD2-CD2 3.42Å; Y105-H231 AromaticContact CD2-CG 3.72Å; Y105-H231 AromaticContact CD2-NE2 3.58Å; Y105-H231 HydrophobicContact CE2-CB 4.19Å; Y105-H231 AromaticContact CE2-CD2 3.96Å; Y105-H231 AromaticContact CG-CD2 3.79Å; Y105-H231 AromaticContact CG-NE2 3.78Å
106A97.8Very high95.9Very high2 Ų223.7 Ų23.72%0.01712%0.118CC..EExtended strand (participates in β ladder)trans-92.2117.4168.400000109V26 T27 N28 R108 L114 H231V26-A106 HydrophobicContact CB-CB 4.43Å; T27-A106 VanDerWaalsContact C-CB 3.44Å; N28-A106 HydrophobicContact CB-CB 3.83Å; A106-R108 PolarHBondContact O-N 2.77Å; A106-R108 VanDerWaalsContact O-N 3.13Å; A106-L114 HydrophobicContact CB-CD2 3.38Å; A106-H231 PolarHBondContact O-CE1 3.17Å; A106-H231 PolarHBondContact O-ND1 2.95Å
107H97.5Very high96.4Very high0 Ų021.5 Ų21.50%010%0.099CC..  trans-66.7118.9-169.7-162.2-73.1000110.2N28 Y105 T109 L110 V113 L227N28-H107 PolarHBondContact ND2-O 2.85Å; Y105-H107 AromaticContact CE2-CD2 3.95Å; H107-T109 PolarHBondContact CE1-OG1 3.22Å; H107-T109 PolarHBondContact ND1-N 2.92Å; H107-T109 PolarHBondContact ND1-OG1 3.2Å; H107-T109 PolarHBondContact O-N 3.38Å; H107-L110 HydrophobicContact CB-CB 4.07Å; H107-L110 PolarHBondContact ND1-N 3.1Å; H107-L110 CarbonylContact O-C 3.46Å; H107-L110 PolarHBondContact O-N 3.36Å; H107-V113 HydrophobicContact CB-CB 4.1Å; H107-V113 HydrophobicContact CB-CG1 4.27Å; H107-V113 WeakPolarHBondContact CB-O 3.42Å; H107-V113 PolarHBondContact N-O 3.23Å; H107-L227 PolarHBondContact NE2-O 2.87Å
108R95Very high96.8Very high12 Ų1215.8 Ų15.85%0.0458%0.077CC..SBendtrans-69.8-35-169.6-172.3169.1-174.18014.7113.2A106 H231 A234 L264A106-R108 PolarHBondContact O-N 2.77Å; A106-R108 VanDerWaalsContact O-N 3.13Å; R108-H231 PolarHBondContact N-ND1 3.34Å; R108-H231 VanDerWaalsContact N-ND1 3.14Å; R108-A234 HydrophobicContact CB-CB 4.08Å; R108-A234 HydrophobicContact CG-CB 4.12Å; R108-L264 PolarHBondContact NH1-O 3.14Å
109T93.9Very high97Very high45 Ų4517 Ų1728%0.2769%0.086SC..SBendtrans-92.1-11.3178.275.50000113.8H107 A234 Q269H107-T109 PolarHBondContact CE1-OG1 3.22Å; H107-T109 PolarHBondContact ND1-N 2.92Å; H107-T109 PolarHBondContact ND1-OG1 3.2Å; H107-T109 PolarHBondContact O-N 3.38Å; T109-A234 HydrophobicContact CG2-CB 3.46Å; T109-A234 VanDerWaalsContact CG2-CB 3.46Å; T109-Q269 VanDerWaalsContact CA-OE1 3.26Å
110L94.8Very high97.1Very high9 Ų911.6 Ų11.65%0.0477%0.066CC..  trans-122.781.9-179.8-63-177.5000106.6N28 H107 H112 V113 E217 A218 L221N28-L110 PolarHBondContact ND2-O 3.16Å; H107-L110 HydrophobicContact CB-CB 4.07Å; H107-L110 PolarHBondContact ND1-N 3.1Å; H107-L110 CarbonylContact O-C 3.46Å; H107-L110 PolarHBondContact O-N 3.36Å; L110-H112 PolarHBondContact O-N 3.49Å; L110-H112 VanDerWaalsContact O-N 3.09Å; L110-V113 HydrophobicContact CB-CB 3.96Å; L110-V113 HydrophobicContact CB-CG2 3.86Å; L110-V113 HydrophobicContact CD1-CG2 4.24Å; L110-V113 PolarHBondContact O-N 3.08Å; L110-E217 VanDerWaalsContact CD2-CD 3.43Å; L110-E217 HydrophobicContact CD2-CG 3.93Å; L110-A218 HydrophobicContact CD1-CB 3.94Å; L110-L221 HydrophobicContact CD1-CD1 3.9Å
111P92.9Very high97.1Very high32 Ų3213.2 Ų13.221%0.2088%0.079CC..THydrogen-bonded Turntrans-59.2-28.5-169.620.2-30.2000112.8N28 Y30 V113N28-P111 VanDerWaalsContact CG-O 3.29Å; N28-P111 WeakPolarHBondContact ND2-CA 3.12Å; N28-P111 PolarHBondContact ND2-O 3.01Å; N28-P111 PolarHBondContact OD1-O 3.4Å; N28-P111 VanDerWaalsContact OD1-O 3.07Å; Y30-P111 WeakPolarHBondContact CD1-O 3.47Å; P111-V113 PolarHBondContact O-N 2.93Å
112H96.1Very high96.9Very high29 Ų2913.1 Ų13.113%0.1347%0.074CC..THydrogen-bonded Turntrans-76.92.5177.2-64.6-90.6000114.7Y30 L31 L110 A203 V204 E210 C214Y30-H112 HydrophobicContact CD1-CB 4.46Å; Y30-H112 AromaticContact CD1-CE1 3.96Å; Y30-H112 AromaticContact CD1-ND1 3.64Å; Y30-H112 HydrophobicContact CE1-CB 4.41Å; Y30-H112 AromaticContact CE1-CE1 3.53Å; Y30-H112 AromaticContact CE1-CG 3.87Å; Y30-H112 AromaticContact CE1-ND1 3.09Å; Y30-H112 WeakPolarHBondContact CE1-ND1 3.44Å; Y30-H112 AromaticContact CE2-CE1 3.86Å; Y30-H112 AromaticContact CZ-CE1 3.44Å; Y30-H112 VanDerWaalsContact CZ-CE1 3.44Å; Y30-H112 AromaticContact CZ-ND1 3.45Å; L31-H112 VanDerWaalsContact CD1-C 3.4Å; L31-H112 VanDerWaalsContact CD1-O 3.29Å; L31-H112 WeakPolarHBondContact CD1-O 3.18Å; L110-H112 PolarHBondContact O-N 3.49Å; L110-H112 VanDerWaalsContact O-N 3.09Å; H112-A203 CarbonylContact O-C 3.57Å; H112-A203 VanDerWaalsContact O-CA 3.22Å; H112-A203 WeakPolarHBondContact O-CA 3.26Å; H112-V204 VanDerWaalsContact CB-O 3.29Å; H112-V204 WeakPolarHBondContact CB-O 3.38Å; H112-V204 PolarHBondContact ND1-O 2.87Å; H112-V204 PolarHBondContact O-N 2.95Å; H112-E210 IonicContact CE1-OE1 3.47Å; H112-E210 IonicContact CE1-OE2 2.84Å; H112-E210 IonicContact ND1-OE2 3.59Å; H112-E210 IonicContact NE2-OE1 3.36Å; H112-C214 HydrophobicContact CB-CB 3.79Å; H112-C214 VanDerWaalsContact CB-SG 3.58Å
113V97.6Very high96.6Very high0 Ų017.2 Ų17.20%010%0.095CC..EExtended strand (participates in β ladder)trans-122.7121.8-170.9-179.30000111.9N28 H107 L110 P111 L201 T202 A203 C214 A218N28-V113 PolarHBondContact ND2-O 3.28Å; H107-V113 HydrophobicContact CB-CB 4.1Å; H107-V113 HydrophobicContact CB-CG1 4.27Å; H107-V113 WeakPolarHBondContact CB-O 3.42Å; H107-V113 PolarHBondContact N-O 3.23Å; L110-V113 HydrophobicContact CB-CB 3.96Å; L110-V113 HydrophobicContact CB-CG2 3.86Å; L110-V113 HydrophobicContact CD1-CG2 4.24Å; L110-V113 PolarHBondContact O-N 3.08Å; P111-V113 PolarHBondContact O-N 2.93Å; V113-L201 HydrophobicContact CG1-CD2 4.14Å; V113-T202 WeakPolarHBondContact CA-O 3.39Å; V113-A203 HydrophobicContact CG2-CB 4.44Å; V113-C214 HydrophobicContact CG2-CB 4.48Å; V113-A218 HydrophobicContact CG1-CB 4.21Å; V113-A218 HydrophobicContact CG2-CB 4.08Å
114L98.3Very high96Very high0 Ų018.5 Ų18.50%011%0.107CC..EExtended strand (participates in β ladder)trans-100.3147.9158.6-64.2177.8000108.9L31 T33 L40 L62 A106 T202L31-L114 HydrophobicContact CB-CD1 4.13Å; L31-L114 HydrophobicContact CB-CD2 3.95Å; L31-L114 HydrophobicContact CB-CG 3.85Å; L31-L114 HydrophobicContact CD1-CD1 4.5Å; L31-L114 HydrophobicContact CD1-CG 3.92Å; T33-L114 HydrophobicContact CG2-CD1 4.15Å; L40-L114 HydrophobicContact CB-CD1 4.2Å; L40-L114 HydrophobicContact CD2-CD1 4.17Å; L62-L114 HydrophobicContact CD1-CB 3.89Å; L62-L114 HydrophobicContact CD1-CD1 3.99Å; L62-L114 HydrophobicContact CD2-CB 3.84Å; L62-L114 HydrophobicContact CD2-CD1 4.49Å; A106-L114 HydrophobicContact CB-CD2 3.38Å; L114-T202 PolarHBondContact N-O 3.3Å; L114-T202 PolarHBondContact O-N 3.44Å
115A98.2Very high94.9Very high0 Ų025.2 Ų25.20%015%0.15CC..EExtended strand (participates in β ladder)trans-142.2153.1177.700000111.6Y105 F200 L201Y105-A115 HydrophobicContact CD2-CB 4.47Å; Y105-A115 HydrophobicContact CE1-CB 3.93Å; Y105-A115 HydrophobicContact CE2-CB 3.89Å; Y105-A115 PolarHBondContact N-O 3.38Å; Y105-A115 PolarHBondContact O-N 3.28Å; A115-F200 WeakPolarHBondContact CA-O 3.48Å; A115-F200 WeakPolarHBondContact CB-O 3.37Å; A115-L201 HydrophobicContact CB-CD2 4.07Å
116F97.7Very high93.7Very high5 Ų527.2 Ų27.22%0.02217%0.171CC..EExtended strand (participates in β ladder)trans-129.5143.1157.977-90.7000111.1L62 V64 Q102 C103 I104 V118 A183 F200L62-F116 HydrophobicContact CG-CD1 4.4Å; V64-F116 HydrophobicContact CB-CE1 4.39Å; V64-F116 HydrophobicContact CB-CE2 4.48Å; V64-F116 HydrophobicContact CB-CZ 4.11Å; V64-F116 HydrophobicContact CG1-CE2 4.27Å; V64-F116 HydrophobicContact CG1-CZ 4.12Å; V64-F116 HydrophobicContact CG2-CE1 4.05Å; V64-F116 HydrophobicContact CG2-CZ 3.98Å; Q102-F116 HydrophobicContact CG-CD2 4.34Å; C103-F116 CarbonylContact O-C 3.55Å; C103-F116 WeakPolarHBondContact O-CA 3.28Å; I104-F116 HydrophobicContact CB-CB 4.46Å; I104-F116 HydrophobicContact CG1-CB 3.85Å; F116-V118 HydrophobicContact CD2-CG2 4.09Å; F116-V118 HydrophobicContact CE2-CG2 4.04Å; F116-A183 HydrophobicContact CZ-CB 3.84Å; F116-F200 HydrophobicContact CD1-CB 3.8Å; F116-F200 HydrophobicContact CD2-CB 4.38Å; F116-F200 AromaticContact CD2-CD2 3.75Å; F116-F200 HydrophobicContact CD2-CD2 3.75Å; F116-F200 HydrophobicContact CD2-CG 4.42Å; F116-F200 HydrophobicContact CE1-CB 3.41Å; F116-F200 VanDerWaalsContact CE1-CB 3.41Å; F116-F200 HydrophobicContact CE1-CD2 4.11Å; F116-F200 AromaticContact CE1-CG 3.86Å; F116-F200 HydrophobicContact CE1-CG 3.86Å; F116-F200 HydrophobicContact CE2-CB 4.05Å; F116-F200 AromaticContact CE2-CD2 3.12Å; F116-F200 HydrophobicContact CE2-CD2 3.12Å; F116-F200 AromaticContact CE2-CE2 3.69Å; F116-F200 HydrophobicContact CE2-CE2 3.69Å; F116-F200 AromaticContact CE2-CG 3.75Å; F116-F200 HydrophobicContact CE2-CG 3.75Å; F116-F200 HydrophobicContact CG-CB 4.26Å; F116-F200 HydrophobicContact CG-CD2 4.44Å; F116-F200 HydrophobicContact CZ-CB 3.54Å; F116-F200 HydrophobicContact CZ-CD1 4.2Å; F116-F200 AromaticContact CZ-CD2 3.33Å; F116-F200 HydrophobicContact CZ-CD2 3.33Å; F116-F200 HydrophobicContact CZ-CE2 4.04Å; F116-F200 AromaticContact CZ-CG 3.41Å; F116-F200 HydrophobicContact CZ-CG 3.41Å; F116-F200 VanDerWaalsContact CZ-CG 3.41Å; F116-F200 PolarHBondContact N-O 2.69Å; F116-F200 PolarHBondContact O-N 3.25Å
117R97.8Very high92.5Very high41 Ų4130.4 Ų30.416%0.15519%0.194CC..EExtended strand (participates in β ladder)trans-114.1138.1-179.6171.6174.6-77.4-164.8-10.5109Q102 C103 Y105 T197 W198 D199 Y228Q102-R117 CarbonylContact C-O 3.24Å; Q102-R117 VanDerWaalsContact CA-O 3.22Å; Q102-R117 WeakPolarHBondContact CA-O 3.29Å; C103-R117 HydrophobicContact CB-CB 4.27Å; C103-R117 PolarHBondContact N-O 2.7Å; C103-R117 PolarHBondContact O-N 3.06Å; Y105-R117 HydrophobicContact CE1-CB 4.44Å; R117-T197 VanDerWaalsContact CD-CG2 3.5Å; R117-T197 HydrophobicContact CG-CG2 3.49Å; R117-T197 VanDerWaalsContact CG-CG2 3.49Å; R117-W198 CarbonylContact C-O 3.44Å; R117-W198 VanDerWaalsContact CA-O 3.29Å; R117-W198 WeakPolarHBondContact CA-O 3.46Å; R117-D199 VanDerWaalsContact CB-OD1 3.23Å; R117-D199 WeakPolarHBondContact CB-OD1 3.47Å; R117-D199 WeakPolarHBondContact CG-OD1 3.45Å; R117-D199 IonicContact CZ-OD1 3.91Å; R117-D199 IonicContact CZ-OD2 3.05Å; R117-D199 IonicContact NE-OD1 3.6Å; R117-D199 PolarHBondContact NE-OD1 3.15Å; R117-D199 IonicContact NE-OD2 2.68Å; R117-D199 IonicContact NH2-OD1 3.34Å; R117-D199 PolarHBondContact NH2-OD1 3.27Å; R117-D199 IonicContact NH2-OD2 3.19Å; R117-D199 PolarHBondContact NH2-OD2 3.35Å; R117-Y228 VanDerWaalsContact NH1-CB 3.29Å
118V98.2Very high91.9Very high0 Ų032.2 Ų32.20%021%0.212CC..EExtended strand (participates in β ladder)trans-117.1127167-176.80000108.7L66 S101 Q102 F116 L134 L187 T197 W198 F200L66-V118 HydrophobicContact CD1-CG1 4.03Å; S101-V118 CarbonylContact O-C 3.56Å; S101-V118 VanDerWaalsContact O-CA 3.3Å; S101-V118 WeakPolarHBondContact O-CA 3.38Å; Q102-V118 HydrophobicContact CG-CG2 4.39Å; F116-V118 HydrophobicContact CD2-CG2 4.09Å; F116-V118 HydrophobicContact CE2-CG2 4.04Å; V118-L134 HydrophobicContact CG2-CD2 4.05Å; V118-L187 HydrophobicContact CB-CD1 3.65Å; V118-L187 HydrophobicContact CG1-CD1 3.72Å; V118-L187 HydrophobicContact CG2-CD1 4.06Å; V118-T197 CarbonylContact O-C 3.49Å; V118-T197 VanDerWaalsContact O-CA 3.31Å; V118-T197 WeakPolarHBondContact O-CA 3.3Å; V118-W198 PolarHBondContact N-O 3.38Å; V118-W198 PolarHBondContact O-N 2.91Å; V118-F200 HydrophobicContact CG2-CE2 4.44Å
119S97.8Very high91.8Very high29 Ų2935.1 Ų35.120%0.20323%0.232CC..EExtended strand (participates in β ladder)trans-118.9136.4173.7-70.80000109.6A100 S101 R196 T197A100-S119 CarbonylContact C-O 3.59Å; A100-S119 WeakPolarHBondContact CA-O 3.44Å; S101-S119 PolarHBondContact N-O 3.49Å; S101-S119 PolarHBondContact O-N 2.9Å; S119-R196 WeakPolarHBondContact CA-O 3.4Å; S119-T197 WeakPolarHBondContact OG-CG2 3.47Å; S119-T197 PolarHBondContact OG-OG1 3.24Å
120I97.2Very high91.7Very high1 Ų133.1 Ų33.11%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-123.3128.2171.8-53.8175.5000107.2A100 I130 L132 L187 L189 A195 R196 W198A100-I120 HydrophobicContact CB-CG1 4.15Å; I120-I130 HydrophobicContact CG2-CB 4.48Å; I120-I130 HydrophobicContact CG2-CG2 4.01Å; I120-L132 HydrophobicContact CD1-CB 4.47Å; I120-L132 HydrophobicContact CD1-CD1 3.75Å; I120-L132 HydrophobicContact CD1-CG 4.15Å; I120-L132 HydrophobicContact CG1-CD1 3.87Å; I120-L187 HydrophobicContact CD1-CB 4.41Å; I120-L189 HydrophobicContact CB-CB 4.22Å; I120-L189 HydrophobicContact CB-CD2 4.48Å; I120-L189 HydrophobicContact CG2-CB 3.91Å; I120-L189 HydrophobicContact CG2-CD2 3.9Å; I120-L189 HydrophobicContact CG2-CG 4.49Å; I120-A195 CarbonylContact O-C 3.58Å; I120-A195 WeakPolarHBondContact O-CA 3.17Å; I120-R196 PolarHBondContact N-O 2.83Å; I120-R196 PolarHBondContact O-N 2.73Å; I120-W198 HydrophobicContact CB-CZ3 4.29Å; I120-W198 HydrophobicContact CD1-CH2 4.06Å; I120-W198 HydrophobicContact CD1-CZ3 3.82Å; I120-W198 HydrophobicContact CG1-CZ3 3.89Å
121A96.1Very high91.7Very high34 Ų3434.6 Ų34.628%0.28123%0.229SC..EExtended strand (participates in β ladder)trans-125.1133.1174.900000110F98 R99 E194 A195F98-A121 CarbonylContact C-O 3.56Å; F98-A121 WeakPolarHBondContact CA-O 3.44Å; F98-A121 WeakPolarHBondContact CB-O 3.37Å; R99-A121 PolarHBondContact N-O 2.88Å; R99-A121 PolarHBondContact O-N 3.43Å; A121-E194 CarbonylContact C-O 3.51Å; A121-E194 WeakPolarHBondContact CA-O 3.49Å; A121-A195 HydrophobicContact CB-CB 4.2Å
122R94.3Very high91.8Very high27 Ų2733 Ų3310%0.10222%0.22CC..EExtended strand (participates in β ladder)trans-77.3133.3174.1-170.7179.5-59.3-83-1.5109.2A124 G126 G128 I130 L189 G190 E193 E194R122-A124 WeakPolarHBondContact CD-O 3.37Å; R122-A124 VanDerWaalsContact CG-O 3.24Å; R122-A124 WeakPolarHBondContact CG-O 3.37Å; R122-G126 WeakPolarHBondContact CD-O 3.38Å; R122-G126 PolarHBondContact NE-O 3.45Å; R122-G126 PolarHBondContact NH1-O 3.12Å; R122-G128 PolarHBondContact NH1-O 3.07Å; R122-G128 PolarHBondContact NH2-O 3.45Å; R122-I130 HydrophobicContact CB-CD1 4.36Å; R122-I130 HydrophobicContact CG-CD1 4.29Å; R122-L189 HydrophobicContact CB-CD2 4.16Å; R122-G190 PolarHBondContact NH2-O 3.18Å; R122-G190 VanDerWaalsContact NH2-O 3.15Å; R122-E193 PolarHBondContact NE-O 2.9Å; R122-E194 WeakPolarHBondContact CB-O 3.31Å; R122-E194 PolarHBondContact N-O 2.76Å
123L91.6Very high91.8Very high86 Ų8634.8 Ų34.845%0.4523%0.23SC..  trans-108.7-27.2179.8-64-177.5000112.8E94 G95 R97 R99E94-L123 HydrophobicContact CG-CD1 4.36Å; G95-L123 WeakPolarHBondContact O-CD1 3.35Å; R97-L123 PolarHBondContact O-N 3.35Å; R99-L123 HydrophobicContact CB-CD1 4Å; R99-L123 HydrophobicContact CB-CD2 4.4Å; R99-L123 HydrophobicContact CB-CG 4.28Å
124A85.9Confident91.8Very high36 Ų3635.2 Ų35.230%0.29823%0.232SC..SBendtrans-111.6141.2178.100000111.4R97 R122 G126R97-A124 PolarHBondContact O-N 2.88Å; R122-A124 WeakPolarHBondContact CD-O 3.37Å; R122-A124 VanDerWaalsContact CG-O 3.24Å; R122-A124 WeakPolarHBondContact CG-O 3.37Å; A124-G126 PolarHBondContact O-N 2.94Å
125P75.7Confident91.6Very high141 Ų14142.8 Ų42.892%0.91626%0.26SS*.  trans-61122.4173.323-30.3000110.1
126G73.1Confident91.4Very high43 Ų4345.6 Ų45.644%0.44328%0.28SS..  trans177.6144.6179.800000110.6R122 A124R122-G126 WeakPolarHBondContact CD-O 3.38Å; R122-G126 PolarHBondContact NE-O 3.45Å; R122-G126 PolarHBondContact NH1-O 3.12Å; A124-G126 PolarHBondContact O-N 2.94Å
127S72.5Confident90.9Very high69 Ų6948.4 Ų48.448%0.48330%0.304SS..  trans-90.2-17.3-174.7750000113.6E191 G192S127-E191 WeakPolarHBondContact CB-OE1 3.46Å; S127-E191 WeakPolarHBondContact O-CA 3.27Å; S127-E191 WeakPolarHBondContact O-CB 3.47Å; S127-E191 WeakPolarHBondContact O-CG 3.45Å; S127-E191 PolarHBondContact OG-OE1 2.87Å; S127-G192 PolarHBondContact O-N 3.2Å
128G85.8Confident90.8Very high38 Ų3848.8 Ų48.839%0.39231%0.307SS..SBendtrans-61.4146.9-176.200000114.2R122R122-G128 PolarHBondContact NH1-O 3.07Å; R122-G128 PolarHBondContact NH2-O 3.45Å
129P91.8Very high90.6Very high72 Ų7251.5 Ų51.547%0.46833%0.326SS..  trans-65.2151.7175.728.3-34.8000111.6T188 L189P129-T188 HydrophobicContact CB-CG2 3.75Å; P129-L189 WeakPolarHBondContact CA-O 3.4Å
130I92.3Very high90.4Very high4 Ų453.2 Ų53.22%0.02134%0.336CS..EExtended strand (participates in β ladder)trans-116.1113.2172.9-64.5153.4000107.3F98 I120 R122 T188 L189F98-I130 HydrophobicContact CB-CD1 3.72Å; F98-I130 HydrophobicContact CB-CG1 4.47Å; F98-I130 HydrophobicContact CB-CG2 4.19Å; F98-I130 HydrophobicContact CD1-CG2 3.85Å; F98-I130 HydrophobicContact CD2-CG2 4.27Å; F98-I130 HydrophobicContact CE1-CG2 4.31Å; F98-I130 HydrophobicContact CG-CD1 4.48Å; F98-I130 HydrophobicContact CG-CG2 3.85Å; I120-I130 HydrophobicContact CG2-CB 4.48Å; I120-I130 HydrophobicContact CG2-CG2 4.01Å; R122-I130 HydrophobicContact CB-CD1 4.36Å; R122-I130 HydrophobicContact CG-CD1 4.29Å; I130-T188 CarbonylContact O-C 3.51Å; I130-T188 WeakPolarHBondContact O-CA 3.42Å; I130-L189 HydrophobicContact CB-CB 4.28Å; I130-L189 HydrophobicContact CD1-CD2 4.1Å; I130-L189 PolarHBondContact N-O 3.41Å; I130-L189 PolarHBondContact O-N 3.31Å
131T94.3Very high90.4Very high39 Ų3960.7 Ų60.724%0.23937%0.371CS..EExtended strand (participates in β ladder)trans-110.9130.3179.7-57.10000110.2P69 D186 L187 T188P69-T131 WeakPolarHBondContact CD-O 3.42Å; P69-T131 WeakPolarHBondContact CG-O 3.36Å; T131-D186 HydrophobicContact CG2-CB 3.92Å; T131-L187 WeakPolarHBondContact CA-O 3.47Å; T131-T188 WeakPolarHBondContact OG1-CG2 3.29Å; T131-T188 PolarHBondContact OG1-OG1 3.33Å
132L95.6Very high90.4Very high0 Ų060.2 Ų60.20%037%0.366CS..EExtended strand (participates in β ladder)trans-120.3150.8174.5-61.7174.8000109.7L66 A68 F98 A100 I120 D186 L187L66-L132 HydrophobicContact CD1-CB 3.9Å; L66-L132 HydrophobicContact CD1-CD1 3.95Å; A68-L132 HydrophobicContact CB-CD2 4.08Å; F98-L132 HydrophobicContact CE2-CD1 4.14Å; F98-L132 HydrophobicContact CE2-CD2 3.85Å; F98-L132 HydrophobicContact CZ-CD2 3.79Å; A100-L132 HydrophobicContact CB-CD1 3.14Å; I120-L132 HydrophobicContact CD1-CB 4.47Å; I120-L132 HydrophobicContact CD1-CD1 3.75Å; I120-L132 HydrophobicContact CD1-CG 4.15Å; I120-L132 HydrophobicContact CG1-CD1 3.87Å; L132-D186 CarbonylContact O-C 3.5Å; L132-D186 WeakPolarHBondContact O-CA 3.46Å; L132-D186 WeakPolarHBondContact O-CB 3.33Å; L132-L187 PolarHBondContact N-O 3.25Å; L132-L187 PolarHBondContact O-N 3.43Å
133L96.4Very high90.6Very high66 Ų6662.8 Ų62.835%0.34639%0.386SS..EExtended strand (participates in β ladder)trans-92.8144.9-180-57.1176.5000109.8E67 P69 D186E67-L133 HydrophobicContact CB-CB 4.26Å; E67-L133 PolarHBondContact N-O 2.73Å; E67-L133 PolarHBondContact O-N 3.33Å; P69-L133 HydrophobicContact CG-CG 4.26Å; L133-D186 HydrophobicContact CD2-CB 4.13Å
134L96.4Very high90.9Very high8 Ų859.2 Ų59.24%0.04237%0.367CS..EExtended strand (participates in β ladder)trans-11697.3169.3-63.9-173.2000108.2V64 R65 L66 V118 S136 A183 P184 P185 L187 F200V64-L134 HydrophobicContact CG1-CB 3.77Å; V64-L134 HydrophobicContact CG1-CD1 4.47Å; V64-L134 HydrophobicContact CG1-CD2 4.23Å; V64-L134 HydrophobicContact CG1-CG 4.38Å; R65-L134 WeakPolarHBondContact O-CA 3.48Å; L66-L134 HydrophobicContact CD1-CD2 3.8Å; V118-L134 HydrophobicContact CG2-CD2 4.05Å; L134-S136 PolarHBondContact O-N 3.28Å; L134-A183 HydrophobicContact CD1-CB 4.26Å; L134-P184 WeakPolarHBondContact CB-O 3.49Å; L134-P185 PolarHBondContact N-O 3.12Å; L134-L187 HydrophobicContact CD1-CD1 3.69Å; L134-L187 HydrophobicContact CD1-CG 3.79Å; L134-L187 HydrophobicContact CD2-CD1 4.45Å; L134-L187 HydrophobicContact CG-CD1 4.28Å; L134-L187 HydrophobicContact CG-CG 4.27Å; L134-F200 HydrophobicContact CD1-CE2 4.28Å; L134-F200 HydrophobicContact CD1-CZ 4.25Å
135R95.1Very high91.5Very high159 Ų15957.8 Ų57.860%0.636%0.355SS*.EExtended strand (participates in β ladder)trans-81112.2178.6-171.9-174.8-60.5-125-1.8109.1V64 R65 E67V64-R135 CarbonylContact C-O 3.54Å; V64-R135 VanDerWaalsContact CA-O 3.32Å; V64-R135 WeakPolarHBondContact CA-O 3.35Å; R65-R135 PolarHBondContact N-O 3.4Å; R65-R135 PolarHBondContact O-N 2.87Å; E67-R135 VanDerWaalsContact CD-NE 3.32Å; E67-R135 WeakPolarHBondContact OE1-CD 3.37Å; E67-R135 IonicContact OE1-CZ 3.33Å; E67-R135 IonicContact OE1-NE 2.94Å; E67-R135 PolarHBondContact OE1-NE 2.91Å; E67-R135 IonicContact OE1-NH2 3.27Å; E67-R135 IonicContact OE2-CZ 3.34Å; E67-R135 IonicContact OE2-NE 3.15Å; E67-R135 PolarHBondContact OE2-NE 3.48Å; E67-R135 IonicContact OE2-NH2 2.76Å; E67-R135 PolarHBondContact OE2-NH2 3.25Å
136S93Very high92.6Very high60 Ų6055.3 Ų55.342%0.4233%0.334SS..EExtended strand (participates in β ladder)trans-105.3140.2173.5-173.50000111.2N63 L134 F138N63-S136 WeakPolarHBondContact O-CA 3.48Å; N63-S136 PolarHBondContact O-OG 3.27Å; L134-S136 PolarHBondContact O-N 3.28Å; S136-F138 WeakPolarHBondContact OG-CB 3.3Å; S136-F138 PolarHBondContact OG-N 3.16Å
137A88.6Confident93.7Very high63 Ų6354.8 Ų54.852%0.52132%0.32SS..  trans-110.217.6170.300000112.3N63 S139N63-A137 PolarHBondContact O-N 2.86Å; A137-S139 PolarHBondContact O-N 2.71Å
138F94.7Very high95Very high50 Ų5055.3 Ų55.322%0.21932%0.315CS..  trans-60.7127.2-174.1177.9-105.7000112.6P59 S60 P61 S136 P140 L159 M178 W180P59-F138 HydrophobicContact CB-CE2 3.92Å; P59-F138 HydrophobicContact CG-CE2 4.39Å; S60-F138 WeakPolarHBondContact O-CD2 3.33Å; P61-F138 VanDerWaalsContact CA-CD2 3.43Å; P61-F138 HydrophobicContact CB-CD2 3.9Å; P61-F138 HydrophobicContact CB-CE2 3.9Å; P61-F138 HydrophobicContact CB-CG 4.42Å; P61-F138 HydrophobicContact CB-CZ 4.46Å; P61-F138 HydrophobicContact CG-CE2 4.41Å; S136-F138 WeakPolarHBondContact OG-CB 3.3Å; S136-F138 PolarHBondContact OG-N 3.16Å; F138-P140 HydrophobicContact CE1-CB 4.29Å; F138-P140 HydrophobicContact CZ-CB 4.41Å; F138-L159 HydrophobicContact CZ-CD1 4.26Å; F138-M178 HydrophobicContact CE2-CE 4.38Å; F138-M178 HydrophobicContact CZ-CE 4.28Å; F138-W180 HydrophobicContact CD1-CZ2 4.42Å; F138-W180 AromaticContact CE1-CE2 3.82Å; F138-W180 HydrophobicContact CE1-CH2 4.1Å; F138-W180 AromaticContact CE1-CZ2 3.39Å; F138-W180 HydrophobicContact CE1-CZ2 3.39Å; F138-W180 AromaticContact CZ-CE2 3.94Å; F138-W180 HydrophobicContact CZ-CH2 4.09Å; F138-W180 AromaticContact CZ-CZ2 3.7Å; F138-W180 HydrophobicContact CZ-CZ2 3.7Å
139S94Very high95.5Very high57 Ų5760.1 Ų60.140%0.39933%0.327SS..  trans-119.4135.8167.5-179.30000108.8P59 A137 E141P59-S139 WeakPolarHBondContact CB-O 3.42Å; A137-S139 PolarHBondContact O-N 2.71Å; S139-E141 PolarHBondContact O-N 2.85Å
140P94.5Very high95.7Very high65 Ų6557.1 Ų57.142%0.42231%0.31SS..  trans-78.76.1178.534.6-36.9000113.9F138 L159F138-P140 HydrophobicContact CE1-CB 4.29Å; F138-P140 HydrophobicContact CZ-CB 4.41Å; P140-L159 HydrophobicContact CB-CD1 3.72Å; P140-L159 HydrophobicContact CB-CD2 4.17Å
141E96.2Very high96Very high158 Ų15861.4 Ų61.474%0.73834%0.338SS*.  trans-87.4150.2-177.8-63.7-178.2175.400112S139S139-E141 PolarHBondContact O-N 2.85Å
142S97.6Very high96.1Very high23 Ų2363.6 Ų63.616%0.16135%0.348CS..  trans-137.3140.1173.6174.10000110M57 D144 L145M57-S142 WeakPolarHBondContact O-CB 3.29Å; M57-S142 PolarHBondContact O-OG 3.49Å; S142-D144 PolarHBondContact OG-N 3.4Å; S142-L145 PolarHBondContact OG-N 2.9Å; S142-L145 VanDerWaalsContact OG-N 3.16Å
143P97.1Very high96.2Very high82 Ų8265.8 Ų65.853%0.53236%0.358SS..SBendtrans-75.5-11.6170.432.9-35.2000113.2M57 L164M57-P143 HydrophobicContact CB-CG 4.49Å; M57-P143 HydrophobicContact CE-CG 3.44Å; M57-P143 VanDerWaalsContact CE-CG 3.44Å; M57-P143 HydrophobicContact SD-CG 4.07Å; P143-L164 WeakPolarHBondContact O-CD1 3.25Å
144D98.3Very high96.2Very high11 Ų1168 Ų686%0.05937%0.366CS..SBendtrans-116.7-12-170.9-62-33.8000113.6N47 H54 A56 M57 S142 T163 L164N47-D144 HydrophobicContact CB-CB 3.82Å; N47-D144 PolarHBondContact ND2-OD1 2.8Å; N47-D144 PolarHBondContact OD1-O 3.39Å; H54-D144 IonicContact CD2-OD2 3.4Å; H54-D144 IonicContact CE1-OD1 2.69Å; H54-D144 IonicContact NE2-OD1 2.88Å; H54-D144 PolarHBondContact NE2-OD1 3.25Å; H54-D144 IonicContact NE2-OD2 3.84Å; A56-D144 HydrophobicContact CB-CB 3.97Å; M57-D144 WeakPolarHBondContact CB-OD2 3.48Å; M57-D144 VanDerWaalsContact CG-OD2 3.29Å; M57-D144 WeakPolarHBondContact CG-OD2 3.34Å; M57-D144 PolarHBondContact N-OD2 3.13Å; S142-D144 PolarHBondContact OG-N 3.4Å; D144-T163 WeakPolarHBondContact O-CA 3.44Å; D144-L164 PolarHBondContact O-N 3.34Å
145L98.4Very high96.1Very high6 Ų670.5 Ų70.53%0.03139%0.394CS..EExtended strand (participates in β ladder)trans-131.1132.1-173.7-61.8157.3000110.5A56 L58 S142 L147 H162 T163 V176A56-L145 HydrophobicContact CB-CD1 4.49Å; A56-L145 HydrophobicContact CB-CD2 4.27Å; A56-L145 HydrophobicContact CB-CG 4.27Å; L58-L145 HydrophobicContact CB-CD1 4.16Å; L58-L145 HydrophobicContact CD1-CD1 3.63Å; S142-L145 PolarHBondContact OG-N 2.9Å; S142-L145 VanDerWaalsContact OG-N 3.16Å; L145-L147 HydrophobicContact CB-CD1 4.25Å; L145-L147 HydrophobicContact CB-CD2 3.93Å; L145-L147 HydrophobicContact CB-CG 3.72Å; L145-L147 HydrophobicContact CD1-CD1 4.47Å; L145-L147 HydrophobicContact CD1-CD2 4.37Å; L145-L147 PolarHBondContact O-N 3.49Å; L145-L147 VanDerWaalsContact O-N 3.12Å; L145-H162 WeakPolarHBondContact CA-O 3.27Å; L145-T163 HydrophobicContact CD2-CG2 3.66Å; L145-V176 HydrophobicContact CD2-CG2 4.41Å
146D98.1Very high96.2Very high89 Ų8962.9 Ų62.948%0.47637%0.365SS..EExtended strand (participates in β ladder)trans-80.884.3167.8-178.136.3000109.5H148 G161 H162 L164D146-H148 PolarHBondContact O-CD2 3.41Å; D146-H148 VanDerWaalsContact O-CD2 3.3Å; D146-H148 IonicContact OD1-CE1 3.94Å; D146-H148 IonicContact OD1-NE2 2.88Å; D146-H148 PolarHBondContact OD1-NE2 3.38Å; D146-H148 IonicContact OD2-CD2 3.11Å; D146-H148 IonicContact OD2-CE1 3.13Å; D146-H148 IonicContact OD2-NE2 2.71Å; D146-H148 PolarHBondContact OD2-NE2 3.34Å; D146-G161 WeakPolarHBondContact O-CA 3.45Å; D146-H162 PolarHBondContact N-O 3.3Å; D146-L164 HydrophobicContact CB-CD2 3.78Å
147L98.2Very high96.5Very high31 Ų3164.9 Ų64.916%0.16236%0.364CS..EExtended strand (participates in β ladder)trans-89.7134.2-174.5-65.2173.9000112.6L58 P59 L145L58-L147 HydrophobicContact CD1-CD1 4.22Å; L58-L147 HydrophobicContact CD1-CD2 4.23Å; P59-L147 HydrophobicContact CG-CD1 3.86Å; L145-L147 HydrophobicContact CB-CD1 4.25Å; L145-L147 HydrophobicContact CB-CD2 3.93Å; L145-L147 HydrophobicContact CB-CG 3.72Å; L145-L147 HydrophobicContact CD1-CD1 4.47Å; L145-L147 HydrophobicContact CD1-CD2 4.37Å; L145-L147 PolarHBondContact O-N 3.49Å; L145-L147 VanDerWaalsContact O-N 3.12Å
148H97.8Very high97Very high81 Ų8162.1 Ų62.138%0.37534%0.34SS..EExtended strand (participates in β ladder)trans-121.9144.3178.9-61-82.8000110.9D146 G150 L159 Y160D146-H148 PolarHBondContact O-CD2 3.41Å; D146-H148 VanDerWaalsContact O-CD2 3.3Å; D146-H148 IonicContact OD1-CE1 3.94Å; D146-H148 IonicContact OD1-NE2 2.88Å; D146-H148 PolarHBondContact OD1-NE2 3.38Å; D146-H148 IonicContact OD2-CD2 3.11Å; D146-H148 IonicContact OD2-CE1 3.13Å; D146-H148 IonicContact OD2-NE2 2.71Å; D146-H148 PolarHBondContact OD2-NE2 3.34Å; H148-G150 PolarHBondContact O-N 2.81Å; H148-L159 WeakPolarHBondContact O-CA 3.4Å; H148-Y160 HydrophobicContact CB-CD1 4.41Å; H148-Y160 HydrophobicContact CB-CE1 3.91Å; H148-Y160 HydrophobicContact CB-CE2 4.38Å; H148-Y160 PolarHBondContact N-O 2.96Å; H148-Y160 WeakPolarHBondContact O-CD1 3.13Å; H148-Y160 PolarHBondContact O-N 3.19Å
149Q97.3Very high97.1Very high138 Ų13860 Ų6065%0.64533%0.331SS*.EExtended strand (participates in β ladder)trans-77.1123.7175.1-165.8171.119.300110.7L159Q149-L159 HydrophobicContact CB-CD2 4.48Å
150G96.9Very high97.3Very high10 Ų1061.5 Ų61.510%0.10333%0.329CS..EExtended strand (participates in β ladder)trans-96.7176.5173.400000112.8H148 Y158H148-G150 PolarHBondContact O-N 2.81Å; G150-Y158 PolarHBondContact N-O 3.3Å
151P97.1Very high97.5Very high93 Ų9358.5 Ų58.560%0.60431%0.309SS*.EExtended strand (participates in β ladder)trans-65.8138.8174.727.9-35.1000111.6Y158P151-Y158 HydrophobicContact CG-CD1 4.35Å; P151-Y158 VanDerWaalsContact O-CB 3.31Å; P151-Y158 WeakPolarHBondContact O-CB 3.39Å; P151-Y158 WeakPolarHBondContact O-CD1 3.24Å
152D97.4Very high97.6Very high85 Ų8554.4 Ų54.446%0.45529%0.29SS..EExtended strand (participates in β ladder)trans-55144.4172.4-68.4-9.6000110.9A156 R157D152-A156 CarbonylContact C-O 3.5Å; D152-A156 VanDerWaalsContact CA-O 3.26Å; D152-A156 WeakPolarHBondContact CA-O 3Å; D152-A156 WeakPolarHBondContact CB-O 3.46Å; D152-R157 WeakPolarHBondContact OD1-CD 3.49Å; D152-R157 IonicContact OD1-CZ 4Å; D152-R157 IonicContact OD1-NE 3.8Å; D152-R157 IonicContact OD1-NH1 3.83Å; D152-R157 PolarHBondContact OD1-NH1 3.39Å; D152-R157 IonicContact OD2-CZ 3.22Å; D152-R157 IonicContact OD2-NH1 3.51Å; D152-R157 PolarHBondContact OD2-NH1 2.9Å
153F98.1Very high97.6Very high47 Ų4753.3 Ų53.321%0.20628%0.282CS..EExtended strand (participates in β ladder)trans-134.7120.6-179.7178.4-97.8000110.5G155 A156 L179 Q212 L215F153-G155 PolarHBondContact O-N 3.05Å; F153-G155 VanDerWaalsContact O-N 3.09Å; F153-A156 PolarHBondContact N-O 3.1Å; F153-A156 WeakPolarHBondContact O-CB 3.24Å; F153-A156 PolarHBondContact O-N 3.02Å; F153-L179 HydrophobicContact CB-CD2 3.9Å; F153-L179 HydrophobicContact CD1-CD1 4.31Å; F153-Q212 HydrophobicContact CD1-CB 4.27Å; F153-Q212 HydrophobicContact CD1-CG 3.87Å; F153-Q212 HydrophobicContact CD2-CG 4.12Å; F153-Q212 HydrophobicContact CE1-CB 3.8Å; F153-Q212 HydrophobicContact CE1-CG 3.89Å; F153-Q212 HydrophobicContact CE2-CB 4.39Å; F153-Q212 HydrophobicContact CE2-CG 4.13Å; F153-Q212 HydrophobicContact CG-CG 3.99Å; F153-Q212 HydrophobicContact CZ-CB 3.86Å; F153-Q212 HydrophobicContact CZ-CG 4.02Å; F153-L215 HydrophobicContact CD1-CD2 3.88Å; F153-L215 HydrophobicContact CE1-CD2 4.35Å
154Q96.3Very high97.7Very high111 Ų11153.3 Ų53.352%0.51928%0.277SS..THydrogen-bonded Turntrans50.534.7179.9-62.4-173.4-18.100114.4A156 T216 L219Q154-A156 VanDerWaalsContact C-N 3.31Å; Q154-T216 PolarHBondContact OE1-OG1 3.44Å; Q154-L219 HydrophobicContact CB-CD1 3.88Å; Q154-L219 VanDerWaalsContact OE1-CD1 3.27Å
155G93.7Very high97.6Very high61 Ų6155.7 Ų55.763%0.62929%0.292SS*.THydrogen-bonded Turntrans84.7-3.3-178.600000114.9F153F153-G155 PolarHBondContact O-N 3.05Å; F153-G155 VanDerWaalsContact O-N 3.09Å
156A98Very high97.5Very high0 Ų056.5 Ų56.50%030%0.298CS..EExtended strand (participates in β ladder)trans-88.4145.6170.200000111.5D152 F153 Q154 L179 W180 T181 L215D152-A156 CarbonylContact C-O 3.5Å; D152-A156 VanDerWaalsContact CA-O 3.26Å; D152-A156 WeakPolarHBondContact CA-O 3Å; D152-A156 WeakPolarHBondContact CB-O 3.46Å; F153-A156 PolarHBondContact N-O 3.1Å; F153-A156 WeakPolarHBondContact O-CB 3.24Å; F153-A156 PolarHBondContact O-N 3.02Å; Q154-A156 VanDerWaalsContact C-N 3.31Å; A156-L179 HydrophobicContact CB-CB 4.36Å; A156-L179 HydrophobicContact CB-CD2 4.46Å; A156-W180 CarbonylContact C-O 3.53Å; A156-W180 WeakPolarHBondContact CA-O 3.37Å; A156-W180 WeakPolarHBondContact CB-O 3.14Å; A156-T181 HydrophobicContact CB-CG2 4.43Å; A156-L215 HydrophobicContact CB-CD2 3.59Å
157R98Very high97.4Very high102 Ų10252.8 Ų52.839%0.38528%0.278SS..EExtended strand (participates in β ladder)trans-75.7154.5166.9-61.8-56.6-172.3-177.5-6.3109.7D152 L179 W180 P182D152-R157 WeakPolarHBondContact OD1-CD 3.49Å; D152-R157 IonicContact OD1-CZ 4Å; D152-R157 IonicContact OD1-NE 3.8Å; D152-R157 IonicContact OD1-NH1 3.83Å; D152-R157 PolarHBondContact OD1-NH1 3.39Å; D152-R157 IonicContact OD2-CZ 3.22Å; D152-R157 IonicContact OD2-NH1 3.51Å; D152-R157 PolarHBondContact OD2-NH1 2.9Å; R157-L179 CarbonylContact O-C 3.59Å; R157-L179 VanDerWaalsContact O-CA 3.23Å; R157-L179 WeakPolarHBondContact O-CA 3.44Å; R157-W180 HydrophobicContact CB-CD2 3.85Å; R157-W180 HydrophobicContact CB-CE3 3.9Å; R157-W180 HydrophobicContact CB-CH2 3.44Å; R157-W180 VanDerWaalsContact CB-CH2 3.44Å; R157-W180 HydrophobicContact CB-CZ2 3.37Å; R157-W180 HydrophobicContact CB-CZ3 3.7Å; R157-W180 HydrophobicContact CG-CH2 4.38Å; R157-W180 HydrophobicContact CG-CZ2 3.91Å; R157-W180 PolarHBondContact N-O 3.36Å; R157-W180 PolarHBondContact O-N 2.94Å; R157-P182 HydrophobicContact CG-CG 4.28Å
158Y98.5Very high97.1Very high4 Ų454.9 Ų54.92%0.01629%0.286CS..EExtended strand (participates in β ladder)trans-129.6128.3-175.4-176.6-154.6000111.7G150 P151 Y160 H177 M178 L179 Q208G150-Y158 PolarHBondContact N-O 3.3Å; P151-Y158 HydrophobicContact CG-CD1 4.35Å; P151-Y158 VanDerWaalsContact O-CB 3.31Å; P151-Y158 WeakPolarHBondContact O-CB 3.39Å; P151-Y158 WeakPolarHBondContact O-CD1 3.24Å; Y158-Y160 HydrophobicContact CE1-CD1 4.19Å; Y158-Y160 HydrophobicContact CE2-CD1 4.5Å; Y158-H177 HydrophobicContact CE2-CB 3.95Å; Y158-H177 AromaticContact CE2-ND1 3.8Å; Y158-H177 AromaticContact CZ-ND1 3.64Å; Y158-H177 PolarHBondContact OH-CE1 3.38Å; Y158-H177 PolarHBondContact OH-ND1 2.78Å; Y158-M178 WeakPolarHBondContact CA-O 3.46Å; Y158-M178 WeakPolarHBondContact CD2-O 3.46Å; Y158-L179 HydrophobicContact CD2-CD2 3.8Å; Y158-L179 HydrophobicContact CD2-CG 3.98Å; Y158-L179 HydrophobicContact CG-CD2 3.77Å; Y158-L179 HydrophobicContact CG-CG 4.46Å; Y158-Q208 HydrophobicContact CE1-CG 4.22Å; Y158-Q208 VanDerWaalsContact OH-CB 3.3Å; Y158-Q208 WeakPolarHBondContact OH-CB 3.22Å; Y158-Q208 VanDerWaalsContact OH-CG 3.25Å; Y158-Q208 WeakPolarHBondContact OH-CG 3.45Å
159L98.1Very high96.7Very high7 Ų757.1 Ų57.14%0.03731%0.308CS..EExtended strand (participates in β ladder)trans-121.3145.2167.2-74.3168.7000109.6F138 P140 H148 Q149 M178 W180F138-L159 HydrophobicContact CZ-CD1 4.26Å; P140-L159 HydrophobicContact CB-CD1 3.72Å; P140-L159 HydrophobicContact CB-CD2 4.17Å; H148-L159 WeakPolarHBondContact O-CA 3.4Å; Q149-L159 HydrophobicContact CB-CD2 4.48Å; L159-M178 HydrophobicContact CD1-CE 3.77Å; L159-M178 PolarHBondContact N-O 2.93Å; L159-M178 PolarHBondContact O-N 2.86Å; L159-W180 HydrophobicContact CB-CZ3 4.07Å; L159-W180 HydrophobicContact CD1-CH2 3.61Å; L159-W180 HydrophobicContact CD1-CZ3 3.65Å; L159-W180 HydrophobicContact CG-CH2 3.67Å; L159-W180 HydrophobicContact CG-CZ3 3.56Å
160Y98.5Very high96.3Very high88 Ų8854.7 Ų54.735%0.34532%0.32SS..EExtended strand (participates in β ladder)trans-148.8152.5173.267.6-75.1000111H148 Y158 V176 H177H148-Y160 HydrophobicContact CB-CD1 4.41Å; H148-Y160 HydrophobicContact CB-CE1 3.91Å; H148-Y160 HydrophobicContact CB-CE2 4.38Å; H148-Y160 PolarHBondContact N-O 2.96Å; H148-Y160 WeakPolarHBondContact O-CD1 3.13Å; H148-Y160 PolarHBondContact O-N 3.19Å; Y158-Y160 HydrophobicContact CE1-CD1 4.19Å; Y158-Y160 HydrophobicContact CE2-CD1 4.5Å; Y160-V176 CarbonylContact C-O 3.51Å; Y160-V176 VanDerWaalsContact CA-O 3.23Å; Y160-V176 WeakPolarHBondContact CA-O 3.19Å; Y160-H177 WeakPolarHBondContact CB-ND1 3.34Å
161G98.1Very high96Very high1 Ų155.4 Ų55.41%0.0133%0.328CS..EExtended strand (participates in β ladder)trans178.5-173-177.700000112.6D146 E175 V176D146-G161 WeakPolarHBondContact O-CA 3.45Å; G161-E175 WeakPolarHBondContact O-CA 3.44Å; G161-V176 PolarHBondContact N-O 3.15Å; G161-V176 PolarHBondContact O-N 2.83Å
162H98.2Very high95.8Very high72 Ų7255.7 Ų55.733%0.33333%0.33SS..EExtended strand (participates in β ladder)trans-130157.5178.3-61.674000110.7L145 D146 Q173 Q174 E175L145-H162 WeakPolarHBondContact CA-O 3.27Å; D146-H162 PolarHBondContact N-O 3.3Å; H162-Q173 HydrophobicContact CB-CB 4.1Å; H162-Q174 CarbonylContact C-O 3.57Å; H162-Q174 VanDerWaalsContact CA-O 3.25Å; H162-Q174 WeakPolarHBondContact CA-O 3.18Å; H162-E175 IonicContact CE1-OE1 2.66Å; H162-E175 IonicContact NE2-OE1 2.95Å
163T98.3Very high95.6Very high0 Ų056.5 Ų56.50%033%0.331CS..EExtended strand (participates in β ladder)trans-61140.7171.1570000111.1V45 Y46 N47 A56 D144 L145 Q173 Q174V45-T163 HydrophobicContact CG1-CG2 3.73Å; Y46-T163 WeakPolarHBondContact O-CG2 3.11Å; N47-T163 HydrophobicContact CB-CG2 4.37Å; A56-T163 HydrophobicContact CB-CG2 4.01Å; D144-T163 WeakPolarHBondContact O-CA 3.44Å; L145-T163 HydrophobicContact CD2-CG2 3.66Å; T163-Q173 WeakPolarHBondContact O-CG 3.48Å; T163-Q173 PolarHBondContact O-NE2 2.83Å; T163-Q174 HydrophobicContact CG2-CB 4.1Å; T163-Q174 PolarHBondContact N-O 3.43Å; T163-Q174 PolarHBondContact OG1-N 2.99Å
164L97.8Very high95.5Very high83 Ų8355.5 Ų55.544%0.43533%0.327SS..SBendtrans-69.6-37.8-174.6-68.1175.6000112.5N47 P143 D144 D146 Q173N47-L164 PolarHBondContact OD1-N 3.23Å; P143-L164 WeakPolarHBondContact O-CD1 3.25Å; D144-L164 PolarHBondContact O-N 3.34Å; D146-L164 HydrophobicContact CB-CD2 3.78Å; L164-Q173 PolarHBondContact O-NE2 2.88Å; L164-Q173 VanDerWaalsContact O-NE2 3.13Å
165T97.3Very high95.5Very high60 Ų6054 Ų5437%0.36832%0.32SS..SBendtrans-129122.9-175.8-530000109.8N47 G48 A49N47-T165 PolarHBondContact OD1-N 3.15Å; N47-T165 PolarHBondContact OD1-O 2.82Å; G48-T165 PolarHBondContact N-O 2.93Å; A49-T165 HydrophobicContact CB-CG2 3.98Å
166P96.6Very high95.8Very high23 Ų2351.2 Ų51.215%0.14929%0.291CS..  trans-73.9154.6173.432.2-35000111.5G48 A49 Q168 G171 P172 Q173G48-P166 CarbonylContact O-C 3.54Å; A49-P166 WeakPolarHBondContact CB-O 3.03Å; P166-Q168 WeakPolarHBondContact CG-O 3.35Å; P166-Q168 PolarHBondContact O-N 2.8Å; P166-Q168 VanDerWaalsContact O-N 3.1Å; P166-G171 WeakPolarHBondContact CB-O 3.48Å; P166-P172 WeakPolarHBondContact CB-O 3.33Å; P166-Q173 HydrophobicContact CB-CG 4.39Å; P166-Q173 HydrophobicContact CG-CG 4.49Å
167E95.4Very high95.8Very high12 Ų1251.6 Ų51.66%0.05629%0.292CS..SBendtrans-53.8-33-178.9-170.1177.2140.900113.3G48 A49 G50 T53 D352 S353 V357G48-E167 WeakPolarHBondContact O-CA 3.48Å; G48-E167 PolarHBondContact O-N 3.01Å; A49-E167 VanDerWaalsContact CA-O 3.27Å; A49-E167 WeakPolarHBondContact CA-O 3.42Å; G50-E167 PolarHBondContact N-O 2.85Å; G50-E167 VanDerWaalsContact N-O 3.11Å; T53-E167 HydrophobicContact CG2-CG 4.11Å; E167-D352 PolarHBondContact OE2-N 2.97Å; E167-S353 WeakPolarHBondContact OE1-CB 3.4Å; E167-S353 PolarHBondContact OE1-N 3.43Å; E167-S353 PolarHBondContact OE1-OG 3.45Å; E167-S353 PolarHBondContact OE2-N 3.29Å; E167-S353 VanDerWaalsContact OE2-N 3.16Å; E167-V357 HydrophobicContact CG-CG1 3.91Å
168Q91.6Very high95.8Very high74 Ų7446.8 Ų46.835%0.34627%0.274SS..SBendtrans-134.6152.9172.8-67.3-152.5-16.900112.5P166 G170 G171 L355P166-Q168 WeakPolarHBondContact CG-O 3.35Å; P166-Q168 PolarHBondContact O-N 2.8Å; P166-Q168 VanDerWaalsContact O-N 3.1Å; Q168-G170 PolarHBondContact O-N 3.46Å; Q168-G171 PolarHBondContact O-N 2.89Å; Q168-L355 HydrophobicContact CG-CD1 3.88Å
169P89Confident95.8Very high128 Ų12846.6 Ų46.683%0.83127%0.274SS*.THydrogen-bonded Turntrans-53.6121.3176-26.134.9000112.6G171P169-G171 VanDerWaalsContact C-N 3.26Å; P169-G171 PolarHBondContact O-N 2.82Å
170G88.6Confident95.8Very high87 Ų8747.2 Ų47.290%0.89728%0.275SS*.THydrogen-bonded Turntrans80.90.6-178.100000114.9Q168Q168-G170 PolarHBondContact O-N 3.46Å
171G91.1Very high95.7Very high26 Ų2644.2 Ų44.227%0.26827%0.266SS..PPolyproline II helixtrans-69.2169.3170.700000112.9P166 Q168 P169P166-G171 WeakPolarHBondContact CB-O 3.48Å; Q168-G171 PolarHBondContact O-N 2.89Å; P169-G171 VanDerWaalsContact C-N 3.26Å; P169-G171 PolarHBondContact O-N 2.82Å
172P92.3Very high95.6Very high98 Ų9847 Ų4764%0.63628%0.284SS*.PPolyproline II helixtrans-69.3135.6179.928.8-33.7000111.4P166P166-P172 WeakPolarHBondContact CB-O 3.33Å
173Q95Very high95.4Very high102 Ų10245.1 Ų45.148%0.47728%0.281SS..PPolyproline II helixtrans-81.9135.9161.1-65.1173.6-7600108.3H162 T163 L164 P166H162-Q173 HydrophobicContact CB-CB 4.1Å; T163-Q173 WeakPolarHBondContact O-CG 3.48Å; T163-Q173 PolarHBondContact O-NE2 2.83Å; L164-Q173 PolarHBondContact O-NE2 2.88Å; L164-Q173 VanDerWaalsContact O-NE2 3.13Å; P166-Q173 HydrophobicContact CB-CG 4.39Å; P166-Q173 HydrophobicContact CG-CG 4.49Å
174Q95.2Very high95.3Very high26 Ų2647.5 Ų47.512%0.12130%0.296CS..PPolyproline II helixtrans-90.7127.2-169.7-64.315736.600109.2G44 V45 Y46 H162 T163G44-Q174 PolarHBondContact O-OE1 3.1Å; V45-Q174 HydrophobicContact CG1-CB 4.4Å; Y46-Q174 PolarHBondContact O-NE2 3.37Å; H162-Q174 CarbonylContact C-O 3.57Å; H162-Q174 VanDerWaalsContact CA-O 3.25Å; H162-Q174 WeakPolarHBondContact CA-O 3.18Å; T163-Q174 HydrophobicContact CG2-CB 4.1Å; T163-Q174 PolarHBondContact N-O 3.43Å; T163-Q174 PolarHBondContact OG1-N 2.99Å
175E97.1Very high95.2Very high80 Ų8048.1 Ų48.137%0.37431%0.306SS..EExtended strand (participates in β ladder)trans-84.3139.5-177.4-170.1170.4-154.400111G161 H162 H177G161-E175 WeakPolarHBondContact O-CA 3.44Å; H162-E175 IonicContact CE1-OE1 2.66Å; H162-E175 IonicContact NE2-OE1 2.95Å; E175-H177 IonicContact OE1-CE1 3.14Å; E175-H177 PolarHBondContact OE1-CE1 3.36Å; E175-H177 VanDerWaalsContact OE1-CE1 3.32Å; E175-H177 IonicContact OE1-NE2 3.46Å; E175-H177 PolarHBondContact OE1-NE2 3.16Å; E175-H177 VanDerWaalsContact OE1-NE2 3.09Å; E175-H177 IonicContact OE2-NE2 2.69Å
176V98.2Very high95.2Very high3 Ų348.6 Ų48.62%0.01831%0.306CS..EExtended strand (participates in β ladder)trans-134.9137.6175.3179.50000110.2V45 L58 L145 Y160 G161 V204V45-V176 HydrophobicContact CB-CG2 4.48Å; V45-V176 HydrophobicContact CG1-CG2 3.8Å; V45-V176 HydrophobicContact CG2-CG2 3.9Å; L58-V176 HydrophobicContact CD1-CG1 3.97Å; L58-V176 HydrophobicContact CD2-CG1 4.06Å; L145-V176 HydrophobicContact CD2-CG2 4.41Å; Y160-V176 CarbonylContact C-O 3.51Å; Y160-V176 VanDerWaalsContact CA-O 3.23Å; Y160-V176 WeakPolarHBondContact CA-O 3.19Å; G161-V176 PolarHBondContact N-O 3.15Å; G161-V176 PolarHBondContact O-N 2.83Å; V176-V204 HydrophobicContact CG1-CG1 3.7Å
177H98.6Very high95.2Very high8 Ų847.9 Ų47.94%0.03730%0.301CS..EExtended strand (participates in β ladder)trans-125.4125.5173.4-62.9-86.6000110Y158 Y160 E175 V204 G205 S207 Q208 A211Y158-H177 HydrophobicContact CE2-CB 3.95Å; Y158-H177 AromaticContact CE2-ND1 3.8Å; Y158-H177 AromaticContact CZ-ND1 3.64Å; Y158-H177 PolarHBondContact OH-CE1 3.38Å; Y158-H177 PolarHBondContact OH-ND1 2.78Å; Y160-H177 WeakPolarHBondContact CB-ND1 3.34Å; E175-H177 IonicContact OE1-CE1 3.14Å; E175-H177 PolarHBondContact OE1-CE1 3.36Å; E175-H177 VanDerWaalsContact OE1-CE1 3.32Å; E175-H177 IonicContact OE1-NE2 3.46Å; E175-H177 PolarHBondContact OE1-NE2 3.16Å; E175-H177 VanDerWaalsContact OE1-NE2 3.09Å; E175-H177 IonicContact OE2-NE2 2.69Å; H177-V204 CarbonylContact O-C 3.51Å; H177-V204 VanDerWaalsContact O-CA 3.25Å; H177-V204 WeakPolarHBondContact O-CA 3.43Å; H177-G205 PolarHBondContact N-O 3.01Å; H177-G205 PolarHBondContact O-N 2.9Å; H177-S207 WeakPolarHBondContact CD2-CA 3.34Å; H177-S207 PolarHBondContact CD2-N 3.31Å; H177-S207 WeakPolarHBondContact NE2-CA 3.36Å; H177-Q208 PolarHBondContact CD2-N 3.38Å; H177-Q208 PolarHBondContact NE2-N 3.46Å; H177-Q208 VanDerWaalsContact NE2-N 3.2Å; H177-A211 HydrophobicContact CB-CB 3.98Å
178M98.6Very high95.2Very high1 Ų149.7 Ų49.71%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-123.8126179.3179.9173.368.600111.4L40 L58 P59 P61 F138 Y158 L159 W180 T202 A203 V204L40-M178 HydrophobicContact CD2-SD 4.2Å; L58-M178 HydrophobicContact CD2-CB 4.21Å; L58-M178 HydrophobicContact CD2-CG 4.42Å; L58-M178 HydrophobicContact CD2-SD 3.73Å; L58-M178 HydrophobicContact CG-SD 4.13Å; P59-M178 HydrophobicContact CG-CE 4.34Å; P61-M178 HydrophobicContact CG-SD 4.35Å; F138-M178 HydrophobicContact CE2-CE 4.38Å; F138-M178 HydrophobicContact CZ-CE 4.28Å; Y158-M178 WeakPolarHBondContact CA-O 3.46Å; Y158-M178 WeakPolarHBondContact CD2-O 3.46Å; L159-M178 HydrophobicContact CD1-CE 3.77Å; L159-M178 PolarHBondContact N-O 2.93Å; L159-M178 PolarHBondContact O-N 2.86Å; M178-W180 HydrophobicContact CE-CE3 4Å; M178-W180 HydrophobicContact CE-CZ3 4.14Å; M178-W180 HydrophobicContact CG-CE3 4.26Å; M178-T202 HydrophobicContact CG-CG2 4.01Å; M178-T202 HydrophobicContact SD-CG2 3.87Å; M178-A203 CarbonylContact C-O 3.45Å; M178-A203 WeakPolarHBondContact CA-O 3.42Å; M178-V204 HydrophobicContact CB-CG2 4.22Å; M178-V204 HydrophobicContact CG-CG2 3.95Å; M178-V204 HydrophobicContact SD-CG2 4.38Å
179L98.7Very high95.4Very high0 Ų046.1 Ų46.10%030%0.296CS..EExtended strand (participates in β ladder)trans-113.7131.4171-72157.5000109.6F153 A156 R157 Y158 T202 A203 A211 Q212 L215F153-L179 HydrophobicContact CB-CD2 3.9Å; F153-L179 HydrophobicContact CD1-CD1 4.31Å; A156-L179 HydrophobicContact CB-CB 4.36Å; A156-L179 HydrophobicContact CB-CD2 4.46Å; R157-L179 CarbonylContact O-C 3.59Å; R157-L179 VanDerWaalsContact O-CA 3.23Å; R157-L179 WeakPolarHBondContact O-CA 3.44Å; Y158-L179 HydrophobicContact CD2-CD2 3.8Å; Y158-L179 HydrophobicContact CD2-CG 3.98Å; Y158-L179 HydrophobicContact CG-CD2 3.77Å; Y158-L179 HydrophobicContact CG-CG 4.46Å; L179-T202 CarbonylContact O-C 3.6Å; L179-T202 WeakPolarHBondContact O-CA 3.02Å; L179-A203 PolarHBondContact N-O 3.4Å; L179-A203 PolarHBondContact O-N 2.93Å; L179-A211 HydrophobicContact CD1-CB 3.96Å; L179-Q212 HydrophobicContact CD1-CB 4.31Å; L179-Q212 HydrophobicContact CD1-CG 3.67Å; L179-L215 HydrophobicContact CB-CD2 4.08Å; L179-L215 HydrophobicContact CD1-CB 4.41Å; L179-L215 HydrophobicContact CD1-CD2 4.29Å
180W98.1Very high95.6Very high20 Ų2041 Ų418%0.07627%0.267CS..EExtended strand (participates in β ladder)trans-142.2146.4176.376.8102.5000113.3P61 F138 A156 R157 L159 M178 P182 L201 T202P61-W180 HydrophobicContact CB-CB 4.17Å; P61-W180 VanDerWaalsContact CB-CD1 3.45Å; P61-W180 HydrophobicContact CB-CD2 4.44Å; P61-W180 HydrophobicContact CB-CG 3.77Å; P61-W180 HydrophobicContact CG-CB 3.83Å; P61-W180 HydrophobicContact CG-CG 3.88Å; F138-W180 HydrophobicContact CD1-CZ2 4.42Å; F138-W180 AromaticContact CE1-CE2 3.82Å; F138-W180 HydrophobicContact CE1-CH2 4.1Å; F138-W180 AromaticContact CE1-CZ2 3.39Å; F138-W180 HydrophobicContact CE1-CZ2 3.39Å; F138-W180 AromaticContact CZ-CE2 3.94Å; F138-W180 HydrophobicContact CZ-CH2 4.09Å; F138-W180 AromaticContact CZ-CZ2 3.7Å; F138-W180 HydrophobicContact CZ-CZ2 3.7Å; A156-W180 CarbonylContact C-O 3.53Å; A156-W180 WeakPolarHBondContact CA-O 3.37Å; A156-W180 WeakPolarHBondContact CB-O 3.14Å; R157-W180 HydrophobicContact CB-CD2 3.85Å; R157-W180 HydrophobicContact CB-CE3 3.9Å; R157-W180 HydrophobicContact CB-CH2 3.44Å; R157-W180 VanDerWaalsContact CB-CH2 3.44Å; R157-W180 HydrophobicContact CB-CZ2 3.37Å; R157-W180 HydrophobicContact CB-CZ3 3.7Å; R157-W180 HydrophobicContact CG-CH2 4.38Å; R157-W180 HydrophobicContact CG-CZ2 3.91Å; R157-W180 PolarHBondContact N-O 3.36Å; R157-W180 PolarHBondContact O-N 2.94Å; L159-W180 HydrophobicContact CB-CZ3 4.07Å; L159-W180 HydrophobicContact CD1-CH2 3.61Å; L159-W180 HydrophobicContact CD1-CZ3 3.65Å; L159-W180 HydrophobicContact CG-CH2 3.67Å; L159-W180 HydrophobicContact CG-CZ3 3.56Å; M178-W180 HydrophobicContact CE-CE3 4Å; M178-W180 HydrophobicContact CE-CZ3 4.14Å; M178-W180 HydrophobicContact CG-CE3 4.26Å; W180-P182 WeakPolarHBondContact O-CD 3Å; W180-L201 CarbonylContact C-O 3.53Å; W180-L201 WeakPolarHBondContact CA-O 3.41Å; W180-T202 HydrophobicContact CB-CG2 4.24Å
181T96.9Very high95.7Very high24 Ų2443.2 Ų43.215%0.14725%0.253CS..PPolyproline II helixtrans-83.4117171.858.90000109A156 F200 L201A156-T181 HydrophobicContact CB-CG2 4.43Å; T181-F200 VanDerWaalsContact OG1-CA 3.29Å; T181-F200 WeakPolarHBondContact OG1-CA 3.39Å; T181-L201 HydrophobicContact CG2-CB 4.3Å; T181-L201 PolarHBondContact N-O 3.21Å; T181-L201 PolarHBondContact OG1-N 2.89Å; T181-L201 PolarHBondContact OG1-O 3.43Å
182P94.3Very high95.5Very high60 Ų6044.5 Ų44.539%0.3927%0.267SS..PPolyproline II helixtrans-66.8137-176.826.4-33.4000111.6R157 W180R157-P182 HydrophobicContact CG-CG 4.28Å; W180-P182 WeakPolarHBondContact O-CD 3Å
183A94.8Very high95.6Very high32 Ų3242.4 Ų42.426%0.26425%0.248SC..PPolyproline II helixtrans-73.3129.9172.400000110.2V64 F116 L134 F200V64-A183 HydrophobicContact CG1-CB 4.4Å; V64-A183 HydrophobicContact CG2-CB 4.11Å; F116-A183 HydrophobicContact CZ-CB 3.84Å; L134-A183 HydrophobicContact CD1-CB 4.26Å; A183-F200 HydrophobicContact CB-CD1 4.44Å; A183-F200 HydrophobicContact CB-CE1 4.38Å
184P95.9Very high95.5Very high50 Ų5043.8 Ų43.833%0.32526%0.255SS..PPolyproline II helixtrans-67.3160.3169.731.7-35.5000110.1L134 D186 L187 F200L134-P184 WeakPolarHBondContact CB-O 3.49Å; P184-D186 WeakPolarHBondContact CG-O 3.39Å; P184-D186 PolarHBondContact O-N 2.74Å; P184-L187 HydrophobicContact CG-CD2 3.63Å; P184-L187 HydrophobicContact CG-CG 4.31Å; P184-F200 HydrophobicContact CG-CE1 4.5Å; P184-F200 HydrophobicContact CG-CZ 4.3Å
185P96.2Very high95.6Very high97 Ų9745.7 Ų45.763%0.6328%0.275SS*.SBendtrans-66.2-21.7178.127.4-35.3000113.5L134L134-P185 PolarHBondContact N-O 3.12Å
186D96.6Very high95.6Very high69 Ų6947 Ų4737%0.36928%0.277SS..EExtended strand (participates in β ladder)trans-148.9158178.865.2-88.8000112.1T131 L132 L133 P184T131-D186 HydrophobicContact CG2-CB 3.92Å; L132-D186 CarbonylContact O-C 3.5Å; L132-D186 WeakPolarHBondContact O-CA 3.46Å; L132-D186 WeakPolarHBondContact O-CB 3.33Å; L133-D186 HydrophobicContact CD2-CB 4.13Å; P184-D186 WeakPolarHBondContact CG-O 3.39Å; P184-D186 PolarHBondContact O-N 2.74Å
187L96.8Very high95.5Very high9 Ų950 Ų505%0.04730%0.295CS..EExtended strand (participates in β ladder)trans-127.7134.6173.5-69.9178.2000109.8V118 I120 T131 L132 L134 P184 W198 F200V118-L187 HydrophobicContact CB-CD1 3.65Å; V118-L187 HydrophobicContact CG1-CD1 3.72Å; V118-L187 HydrophobicContact CG2-CD1 4.06Å; I120-L187 HydrophobicContact CD1-CB 4.41Å; T131-L187 WeakPolarHBondContact CA-O 3.47Å; L132-L187 PolarHBondContact N-O 3.25Å; L132-L187 PolarHBondContact O-N 3.43Å; L134-L187 HydrophobicContact CD1-CD1 3.69Å; L134-L187 HydrophobicContact CD1-CG 3.79Å; L134-L187 HydrophobicContact CD2-CD1 4.45Å; L134-L187 HydrophobicContact CG-CD1 4.28Å; L134-L187 HydrophobicContact CG-CG 4.27Å; P184-L187 HydrophobicContact CG-CD2 3.63Å; P184-L187 HydrophobicContact CG-CG 4.31Å; L187-W198 HydrophobicContact CB-CH2 4.37Å; L187-W198 HydrophobicContact CB-CZ2 4.4Å; L187-W198 HydrophobicContact CB-CZ3 4.45Å; L187-W198 HydrophobicContact CD1-CB 4.21Å; L187-W198 HydrophobicContact CD1-CD2 3.94Å; L187-W198 HydrophobicContact CD1-CE3 3.9Å; L187-W198 HydrophobicContact CD1-CG 4.12Å; L187-W198 HydrophobicContact CD2-CD2 3.89Å; L187-W198 HydrophobicContact CD2-CG 3.86Å; L187-W198 HydrophobicContact CD2-CZ2 4.38Å; L187-W198 HydrophobicContact CG-CD2 4.38Å; L187-F200 HydrophobicContact CD1-CE2 4.26Å; L187-F200 HydrophobicContact CD1-CZ 4.39Å; L187-F200 HydrophobicContact CD2-CZ 4.32Å
188T96Very high95.5Very high49 Ų4952.1 Ų52.130%0.30130%0.303SS..EExtended strand (participates in β ladder)trans-120.2123.5-179.7-56.30000111.5P129 I130 T131 W198P129-T188 HydrophobicContact CB-CG2 3.75Å; I130-T188 CarbonylContact O-C 3.51Å; I130-T188 WeakPolarHBondContact O-CA 3.42Å; T131-T188 WeakPolarHBondContact OG1-CG2 3.29Å; T131-T188 PolarHBondContact OG1-OG1 3.33Å; T188-W198 WeakPolarHBondContact O-CZ2 3.45Å
189L95.5Very high95.4Very high0 Ų053 Ų530%031%0.307CS..EExtended strand (participates in β ladder)trans-77.4118.2159.5-176.167.5000108.1I120 R122 P129 I130 E193 R196I120-L189 HydrophobicContact CB-CB 4.22Å; I120-L189 HydrophobicContact CB-CD2 4.48Å; I120-L189 HydrophobicContact CG2-CB 3.91Å; I120-L189 HydrophobicContact CG2-CD2 3.9Å; I120-L189 HydrophobicContact CG2-CG 4.49Å; R122-L189 HydrophobicContact CB-CD2 4.16Å; P129-L189 WeakPolarHBondContact CA-O 3.4Å; I130-L189 HydrophobicContact CB-CB 4.28Å; I130-L189 HydrophobicContact CD1-CD2 4.1Å; I130-L189 PolarHBondContact N-O 3.41Å; I130-L189 PolarHBondContact O-N 3.31Å; L189-E193 HydrophobicContact CD1-CB 3.47Å; L189-E193 VanDerWaalsContact CD1-CB 3.47Å; L189-E193 HydrophobicContact CG-CB 3.92Å; L189-R196 HydrophobicContact CD1-CB 3.54Å
190G93.4Very high95.4Very high21 Ų2153.9 Ų53.922%0.21631%0.311CS..PPolyproline II helixtrans-64.6166.9-172.900000113.8R122 G192 E193R122-G190 PolarHBondContact NH2-O 3.18Å; R122-G190 VanDerWaalsContact NH2-O 3.15Å; G190-G192 PolarHBondContact O-N 2.8Å; G190-E193 WeakPolarHBondContact CA-OE2 3.42Å; G190-E193 PolarHBondContact N-OE2 3.27Å; G190-E193 PolarHBondContact O-N 3.31Å; G190-E193 VanDerWaalsContact O-N 3.16Å
191E90.3Very high95.4Very high133 Ų13353 Ų5362%0.62131%0.308SS*.THydrogen-bonded Turntrans-62.6126.5173.6165149.7-13700110.7S127 E193S127-E191 WeakPolarHBondContact CB-OE1 3.46Å; S127-E191 WeakPolarHBondContact O-CA 3.27Å; S127-E191 WeakPolarHBondContact O-CB 3.47Å; S127-E191 WeakPolarHBondContact O-CG 3.45Å; S127-E191 PolarHBondContact OG-OE1 2.87Å; E191-E193 PolarHBondContact O-N 3.31Å
192G87.7Confident95.5Very high53 Ų5352 Ų5255%0.54630%0.302SS..THydrogen-bonded Turntrans75.80.3-176.900000115.5S127 G190S127-G192 PolarHBondContact O-N 3.2Å; G190-G192 PolarHBondContact O-N 2.8Å
193E93.4Very high95.6Very high53 Ų5349.1 Ų49.125%0.24828%0.283CS..  trans-79.4133.8171.1-61.6-167.2131.900110.7R122 L189 G190 E191 R196R122-E193 PolarHBondContact NE-O 2.9Å; L189-E193 HydrophobicContact CD1-CB 3.47Å; L189-E193 VanDerWaalsContact CD1-CB 3.47Å; L189-E193 HydrophobicContact CG-CB 3.92Å; G190-E193 WeakPolarHBondContact CA-OE2 3.42Å; G190-E193 PolarHBondContact N-OE2 3.27Å; G190-E193 PolarHBondContact O-N 3.31Å; G190-E193 VanDerWaalsContact O-N 3.16Å; E191-E193 PolarHBondContact O-N 3.31Å; E193-R196 IonicContact OE1-CZ 3.7Å; E193-R196 IonicContact OE1-NE 2.75Å; E193-R196 PolarHBondContact OE1-NE 3.32Å; E193-R196 IonicContact OE1-NH2 3.87Å; E193-R196 PolarHBondContact OE1-NH2 2.71Å; E193-R196 IonicContact OE2-CZ 2.76Å; E193-R196 VanDerWaalsContact OE2-CZ 3.3Å; E193-R196 IonicContact OE2-NE 2.62Å; E193-R196 PolarHBondContact OE2-NE 3.36Å; E193-R196 IonicContact OE2-NH2 3.89Å; E193-R196 PolarHBondContact OE2-NH2 2.99Å
194E94.1Very high95.8Very high132 Ų13247.6 Ų47.662%0.61727%0.271SS*.SBendtrans-82.6-43.6177.8-65.8-57.7146.200111.7A121 R122A121-E194 CarbonylContact C-O 3.51Å; A121-E194 WeakPolarHBondContact CA-O 3.49Å; R122-E194 WeakPolarHBondContact CB-O 3.31Å; R122-E194 PolarHBondContact N-O 2.76Å
195A95.9Very high95.9Very high66 Ų6645.3 Ų45.355%0.54526%0.256SS..EExtended strand (participates in β ladder)trans-154152.5176.300000111.4I120 A121I120-A195 CarbonylContact O-C 3.58Å; I120-A195 WeakPolarHBondContact O-CA 3.17Å; A121-A195 HydrophobicContact CB-CB 4.2Å
196R96.8Very high95.8Very high107 Ų10742.4 Ų42.440%0.40424%0.244SC..EExtended strand (participates in β ladder)trans-149.1149.1173.5-170.9179-89.6-158.2-3.6110S119 I120 L189 E193 W198S119-R196 WeakPolarHBondContact CA-O 3.4Å; I120-R196 PolarHBondContact N-O 2.83Å; I120-R196 PolarHBondContact O-N 2.73Å; L189-R196 HydrophobicContact CD1-CB 3.54Å; E193-R196 IonicContact OE1-CZ 3.7Å; E193-R196 IonicContact OE1-NE 2.75Å; E193-R196 PolarHBondContact OE1-NE 3.32Å; E193-R196 IonicContact OE1-NH2 3.87Å; E193-R196 PolarHBondContact OE1-NH2 2.71Å; E193-R196 IonicContact OE2-CZ 2.76Å; E193-R196 VanDerWaalsContact OE2-CZ 3.3Å; E193-R196 IonicContact OE2-NE 2.62Å; E193-R196 PolarHBondContact OE2-NE 3.36Å; E193-R196 IonicContact OE2-NH2 3.89Å; E193-R196 PolarHBondContact OE2-NH2 2.99Å; R196-W198 HydrophobicContact CB-CH2 3.71Å; R196-W198 HydrophobicContact CB-CZ2 4.21Å; R196-W198 HydrophobicContact CB-CZ3 3.89Å; R196-W198 VanDerWaalsContact CD-CH2 3.47Å; R196-W198 HydrophobicContact CG-CD2 4.28Å; R196-W198 HydrophobicContact CG-CE3 4.3Å; R196-W198 HydrophobicContact CG-CH2 3.7Å; R196-W198 HydrophobicContact CG-CZ2 3.68Å; R196-W198 HydrophobicContact CG-CZ3 4Å; R196-W198 WeakPolarHBondContact O-CZ3 3.35Å
197T97.2Very high95.8Very high67 Ų6741.4 Ų41.441%0.41124%0.242SC..EExtended strand (participates in β ladder)trans-131.9136.9-178.7-60.90000109.8R117 V118 S119R117-T197 VanDerWaalsContact CD-CG2 3.5Å; R117-T197 HydrophobicContact CG-CG2 3.49Å; R117-T197 VanDerWaalsContact CG-CG2 3.49Å; V118-T197 CarbonylContact O-C 3.49Å; V118-T197 VanDerWaalsContact O-CA 3.31Å; V118-T197 WeakPolarHBondContact O-CA 3.3Å; S119-T197 WeakPolarHBondContact OG-CG2 3.47Å; S119-T197 PolarHBondContact OG-OG1 3.24Å
198W97.4Very high95.9Very high52 Ų5244.8 Ų44.820%0.19726%0.258CS..EExtended strand (participates in β ladder)trans-121.7133.9175.5-61.2-98000108.5R117 V118 I120 L187 T188 R196 F200R117-W198 CarbonylContact C-O 3.44Å; R117-W198 VanDerWaalsContact CA-O 3.29Å; R117-W198 WeakPolarHBondContact CA-O 3.46Å; V118-W198 PolarHBondContact N-O 3.38Å; V118-W198 PolarHBondContact O-N 2.91Å; I120-W198 HydrophobicContact CB-CZ3 4.29Å; I120-W198 HydrophobicContact CD1-CH2 4.06Å; I120-W198 HydrophobicContact CD1-CZ3 3.82Å; I120-W198 HydrophobicContact CG1-CZ3 3.89Å; L187-W198 HydrophobicContact CB-CH2 4.37Å; L187-W198 HydrophobicContact CB-CZ2 4.4Å; L187-W198 HydrophobicContact CB-CZ3 4.45Å; L187-W198 HydrophobicContact CD1-CB 4.21Å; L187-W198 HydrophobicContact CD1-CD2 3.94Å; L187-W198 HydrophobicContact CD1-CE3 3.9Å; L187-W198 HydrophobicContact CD1-CG 4.12Å; L187-W198 HydrophobicContact CD2-CD2 3.89Å; L187-W198 HydrophobicContact CD2-CG 3.86Å; L187-W198 HydrophobicContact CD2-CZ2 4.38Å; L187-W198 HydrophobicContact CG-CD2 4.38Å; T188-W198 WeakPolarHBondContact O-CZ2 3.45Å; R196-W198 HydrophobicContact CB-CH2 3.71Å; R196-W198 HydrophobicContact CB-CZ2 4.21Å; R196-W198 HydrophobicContact CB-CZ3 3.89Å; R196-W198 VanDerWaalsContact CD-CH2 3.47Å; R196-W198 HydrophobicContact CG-CD2 4.28Å; R196-W198 HydrophobicContact CG-CE3 4.3Å; R196-W198 HydrophobicContact CG-CH2 3.7Å; R196-W198 HydrophobicContact CG-CZ2 3.68Å; R196-W198 HydrophobicContact CG-CZ3 4Å; R196-W198 WeakPolarHBondContact O-CZ3 3.35Å; W198-F200 HydrophobicContact CB-CE2 3.85Å; W198-F200 HydrophobicContact CB-CZ 4.12Å
199D97.5Very high95.9Very high19 Ų1945.8 Ų45.810%0.10227%0.271CS..EExtended strand (participates in β ladder)trans-113.7134.2176.5-75.6-47.8000108.5R117 Q222 L227R117-D199 VanDerWaalsContact CB-OD1 3.23Å; R117-D199 WeakPolarHBondContact CB-OD1 3.47Å; R117-D199 WeakPolarHBondContact CG-OD1 3.45Å; R117-D199 IonicContact CZ-OD1 3.91Å; R117-D199 IonicContact CZ-OD2 3.05Å; R117-D199 IonicContact NE-OD1 3.6Å; R117-D199 PolarHBondContact NE-OD1 3.15Å; R117-D199 IonicContact NE-OD2 2.68Å; R117-D199 IonicContact NH2-OD1 3.34Å; R117-D199 PolarHBondContact NH2-OD1 3.27Å; R117-D199 IonicContact NH2-OD2 3.19Å; R117-D199 PolarHBondContact NH2-OD2 3.35Å; D199-Q222 HydrophobicContact CB-CG 3.95Å; D199-Q222 VanDerWaalsContact CB-NE2 3.35Å; D199-Q222 PolarHBondContact O-NE2 3.42Å; D199-L227 HydrophobicContact CB-CD2 4.27Å
200F97.8Very high95.9Very high18 Ų1849.1 Ų49.18%0.07929%0.286CS..EExtended strand (participates in β ladder)trans-120.6133.8176.5-59.4-86.4000108.9A115 F116 V118 L134 T181 A183 P184 L187 W198A115-F200 WeakPolarHBondContact CA-O 3.48Å; A115-F200 WeakPolarHBondContact CB-O 3.37Å; F116-F200 HydrophobicContact CD1-CB 3.8Å; F116-F200 HydrophobicContact CD2-CB 4.38Å; F116-F200 AromaticContact CD2-CD2 3.75Å; F116-F200 HydrophobicContact CD2-CD2 3.75Å; F116-F200 HydrophobicContact CD2-CG 4.42Å; F116-F200 HydrophobicContact CE1-CB 3.41Å; F116-F200 VanDerWaalsContact CE1-CB 3.41Å; F116-F200 HydrophobicContact CE1-CD2 4.11Å; F116-F200 AromaticContact CE1-CG 3.86Å; F116-F200 HydrophobicContact CE1-CG 3.86Å; F116-F200 HydrophobicContact CE2-CB 4.05Å; F116-F200 AromaticContact CE2-CD2 3.12Å; F116-F200 HydrophobicContact CE2-CD2 3.12Å; F116-F200 AromaticContact CE2-CE2 3.69Å; F116-F200 HydrophobicContact CE2-CE2 3.69Å; F116-F200 AromaticContact CE2-CG 3.75Å; F116-F200 HydrophobicContact CE2-CG 3.75Å; F116-F200 HydrophobicContact CG-CB 4.26Å; F116-F200 HydrophobicContact CG-CD2 4.44Å; F116-F200 HydrophobicContact CZ-CB 3.54Å; F116-F200 HydrophobicContact CZ-CD1 4.2Å; F116-F200 AromaticContact CZ-CD2 3.33Å; F116-F200 HydrophobicContact CZ-CD2 3.33Å; F116-F200 HydrophobicContact CZ-CE2 4.04Å; F116-F200 AromaticContact CZ-CG 3.41Å; F116-F200 HydrophobicContact CZ-CG 3.41Å; F116-F200 VanDerWaalsContact CZ-CG 3.41Å; F116-F200 PolarHBondContact N-O 2.69Å; F116-F200 PolarHBondContact O-N 3.25Å; V118-F200 HydrophobicContact CG2-CE2 4.44Å; L134-F200 HydrophobicContact CD1-CE2 4.28Å; L134-F200 HydrophobicContact CD1-CZ 4.25Å; T181-F200 VanDerWaalsContact OG1-CA 3.29Å; T181-F200 WeakPolarHBondContact OG1-CA 3.39Å; A183-F200 HydrophobicContact CB-CD1 4.44Å; A183-F200 HydrophobicContact CB-CE1 4.38Å; P184-F200 HydrophobicContact CG-CE1 4.5Å; P184-F200 HydrophobicContact CG-CZ 4.3Å; L187-F200 HydrophobicContact CD1-CE2 4.26Å; L187-F200 HydrophobicContact CD1-CZ 4.39Å; L187-F200 HydrophobicContact CD2-CZ 4.32Å; W198-F200 HydrophobicContact CB-CE2 3.85Å; W198-F200 HydrophobicContact CB-CZ 4.12Å
201L98.4Very high96.2Very high1 Ų148.1 Ų48.11%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-116.9143.1-169.3-62.5174.8000110.6V113 A115 W180 T181 L215 A218 L219 L227V113-L201 HydrophobicContact CG1-CD2 4.14Å; A115-L201 HydrophobicContact CB-CD2 4.07Å; W180-L201 CarbonylContact C-O 3.53Å; W180-L201 WeakPolarHBondContact CA-O 3.41Å; T181-L201 HydrophobicContact CG2-CB 4.3Å; T181-L201 PolarHBondContact N-O 3.21Å; T181-L201 PolarHBondContact OG1-N 2.89Å; T181-L201 PolarHBondContact OG1-O 3.43Å; L201-L215 HydrophobicContact CB-CD1 4.06Å; L201-L215 HydrophobicContact CD1-CD1 4.3Å; L201-A218 HydrophobicContact CD1-CB 3.85Å; L201-A218 HydrophobicContact CD2-CB 4.14Å; L201-L219 HydrophobicContact CD1-CD2 3.67Å; L201-L219 HydrophobicContact CD1-CG 3.95Å; L201-L227 HydrophobicContact CD2-CD1 4.36Å; L201-L227 HydrophobicContact CD2-CD2 3.51Å
202T98.4Very high96.5Very high4 Ų443.9 Ų43.93%0.02526%0.256CS..EExtended strand (participates in β ladder)trans-130.5117.3166-56.50000107.8L40 P61 L62 V113 L114 M178 L179 W180 V204L40-T202 HydrophobicContact CD2-CG2 4.21Å; P61-T202 HydrophobicContact CG-CG2 3.67Å; P61-T202 WeakPolarHBondContact CG-OG1 3.23Å; L62-T202 HydrophobicContact CD1-CG2 4.32Å; L62-T202 WeakPolarHBondContact CD1-OG1 3.31Å; V113-T202 WeakPolarHBondContact CA-O 3.39Å; L114-T202 PolarHBondContact N-O 3.3Å; L114-T202 PolarHBondContact O-N 3.44Å; M178-T202 HydrophobicContact CG-CG2 4.01Å; M178-T202 HydrophobicContact SD-CG2 3.87Å; L179-T202 CarbonylContact O-C 3.6Å; L179-T202 WeakPolarHBondContact O-CA 3.02Å; W180-T202 HydrophobicContact CB-CG2 4.24Å; T202-V204 HydrophobicContact CG2-CG2 4.27Å
203A98.4Very high97Very high0 Ų044.1 Ų44.10%025%0.253CS..EExtended strand (participates in β ladder)trans-112.3130.217800000109.8H112 V113 M178 L179 L215H112-A203 CarbonylContact O-C 3.57Å; H112-A203 VanDerWaalsContact O-CA 3.22Å; H112-A203 WeakPolarHBondContact O-CA 3.26Å; V113-A203 HydrophobicContact CG2-CB 4.44Å; M178-A203 CarbonylContact C-O 3.45Å; M178-A203 WeakPolarHBondContact CA-O 3.42Å; L179-A203 PolarHBondContact N-O 3.4Å; L179-A203 PolarHBondContact O-N 2.93Å; A203-L215 HydrophobicContact CB-CB 3.84Å; A203-L215 HydrophobicContact CB-CD1 4.13Å
204V98.2Very high97.1Very high0 Ų042.6 Ų42.60%025%0.248CC..EExtended strand (participates in β ladder)trans-128135.7-178.9-174.10000110.2Y30 L31 L40 V42 L58 H112 V176 H177 M178 T202Y30-V204 WeakPolarHBondContact CE1-O 3.35Å; L31-V204 HydrophobicContact CD1-CB 4.09Å; L31-V204 HydrophobicContact CD1-CG2 4.08Å; L31-V204 HydrophobicContact CD2-CB 3.8Å; L31-V204 HydrophobicContact CD2-CG1 4.22Å; L31-V204 HydrophobicContact CD2-CG2 4.04Å; L40-V204 HydrophobicContact CD1-CG2 4.4Å; V42-V204 HydrophobicContact CG2-CG1 3.77Å; L58-V204 HydrophobicContact CD2-CG1 3.98Å; L58-V204 HydrophobicContact CD2-CG2 3.94Å; H112-V204 VanDerWaalsContact CB-O 3.29Å; H112-V204 WeakPolarHBondContact CB-O 3.38Å; H112-V204 PolarHBondContact ND1-O 2.87Å; H112-V204 PolarHBondContact O-N 2.95Å; V176-V204 HydrophobicContact CG1-CG1 3.7Å; H177-V204 CarbonylContact O-C 3.51Å; H177-V204 VanDerWaalsContact O-CA 3.25Å; H177-V204 WeakPolarHBondContact O-CA 3.43Å; M178-V204 HydrophobicContact CB-CG2 4.22Å; M178-V204 HydrophobicContact CG-CG2 3.95Å; M178-V204 HydrophobicContact SD-CG2 4.38Å; T202-V204 HydrophobicContact CG2-CG2 4.27Å
205G96.7Very high97.3Very high1 Ų136.3 Ų36.31%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-145.7162.3177.700000112.6H177 S207 E210H177-G205 PolarHBondContact N-O 3.01Å; H177-G205 PolarHBondContact O-N 2.9Å; G205-S207 PolarHBondContact O-N 3.17Å; G205-E210 WeakPolarHBondContact CA-OE2 3.49Å
206G95.5Very high97.5Very high36 Ų3634.8 Ų34.837%0.37120%0.203SC..SBendtrans-78.8-3.8173.200000113.4E210G206-E210 PolarHBondContact N-OE2 3.3Å
207S96.6Very high97.5Very high48 Ų4834.5 Ų34.534%0.33621%0.206SC..SBendtrans-143.4157.3169.270.50000111.5H177 G205 A209 E210 A211H177-S207 WeakPolarHBondContact CD2-CA 3.34Å; H177-S207 PolarHBondContact CD2-N 3.31Å; H177-S207 WeakPolarHBondContact NE2-CA 3.36Å; G205-S207 PolarHBondContact O-N 3.17Å; S207-A209 VanDerWaalsContact C-N 3.25Å; S207-A209 PolarHBondContact O-N 2.96Å; S207-E210 PolarHBondContact O-N 3.32Å; S207-E210 WeakPolarHBondContact OG-CB 3.18Å; S207-E210 PolarHBondContact OG-N 3.06Å; S207-A211 PolarHBondContact O-N 2.9Å
208Q97.7Very high97.6Very high81 Ų8131.3 Ų31.338%0.37919%0.186SC..Hα-helixtrans-55.3-43.2174-178.8175.43.400111.9Y158 H177 E210 A211 Q212Y158-Q208 HydrophobicContact CE1-CG 4.22Å; Y158-Q208 VanDerWaalsContact OH-CB 3.3Å; Y158-Q208 WeakPolarHBondContact OH-CB 3.22Å; Y158-Q208 VanDerWaalsContact OH-CG 3.25Å; Y158-Q208 WeakPolarHBondContact OH-CG 3.45Å; H177-Q208 PolarHBondContact CD2-N 3.38Å; H177-Q208 PolarHBondContact NE2-N 3.46Å; H177-Q208 VanDerWaalsContact NE2-N 3.2Å; Q208-E210 PolarHBondContact O-N 3.14Å; Q208-A211 PolarHBondContact O-N 3.1Å; Q208-Q212 HydrophobicContact CG-CG 4.33Å; Q208-Q212 VanDerWaalsContact NE2-NE2 3.12Å; Q208-Q212 WeakPolarHBondContact O-CB 3.43Å; Q208-Q212 VanDerWaalsContact O-CG 3.26Å; Q208-Q212 WeakPolarHBondContact O-CG 3.47Å; Q208-Q212 PolarHBondContact O-N 3.35Å
209A97.5Very high97.6Very high69 Ų6930.4 Ų30.457%0.5719%0.185SC*.Hα-helixtrans-64.5-41.1-177.800000111.8S207 A213S207-A209 VanDerWaalsContact C-N 3.25Å; S207-A209 PolarHBondContact O-N 2.96Å; A209-A213 VanDerWaalsContact O-CB 3.29Å; A209-A213 WeakPolarHBondContact O-CB 3.39Å; A209-A213 PolarHBondContact O-N 3.33Å
210E96Very high97.6Very high71 Ų7134.2 Ų34.233%0.33220%0.202SC..Hα-helixtrans-64.1-52.5176.6-177.2179.3-109.500111.3H112 G205 G206 S207 Q208 Q212 A213 C214H112-E210 IonicContact CE1-OE1 3.47Å; H112-E210 IonicContact CE1-OE2 2.84Å; H112-E210 IonicContact ND1-OE2 3.59Å; H112-E210 IonicContact NE2-OE1 3.36Å; G205-E210 WeakPolarHBondContact CA-OE2 3.49Å; G206-E210 PolarHBondContact N-OE2 3.3Å; S207-E210 PolarHBondContact O-N 3.32Å; S207-E210 WeakPolarHBondContact OG-CB 3.18Å; S207-E210 PolarHBondContact OG-N 3.06Å; Q208-E210 PolarHBondContact O-N 3.14Å; E210-Q212 VanDerWaalsContact C-N 3.29Å; E210-Q212 PolarHBondContact O-N 3.04Å; E210-A213 PolarHBondContact O-N 3.38Å; E210-A213 VanDerWaalsContact O-N 3.15Å; E210-C214 PolarHBondContact O-N 3.36Å; E210-C214 PolarHBondContact O-SG 3.2Å; E210-C214 VanDerWaalsContact O-SG 3.35Å
211A97.7Very high97.6Very high0 Ų035 Ų350%021%0.207CC..Hα-helixtrans-58.2-42.318000000111.8H177 L179 S207 Q208 L215H177-A211 HydrophobicContact CB-CB 3.98Å; L179-A211 HydrophobicContact CD1-CB 3.96Å; S207-A211 PolarHBondContact O-N 2.9Å; Q208-A211 PolarHBondContact O-N 3.1Å; A211-L215 WeakPolarHBondContact O-CB 3.41Å; A211-L215 PolarHBondContact O-N 2.87Å
212Q98.4Very high97.6Very high44 Ų4437.5 Ų37.521%0.20622%0.219CC..Hα-helixtrans-66.7-40.5177.4-74-177.5-13.400112.8F153 L179 Q208 E210 T216F153-Q212 HydrophobicContact CD1-CB 4.27Å; F153-Q212 HydrophobicContact CD1-CG 3.87Å; F153-Q212 HydrophobicContact CD2-CG 4.12Å; F153-Q212 HydrophobicContact CE1-CB 3.8Å; F153-Q212 HydrophobicContact CE1-CG 3.89Å; F153-Q212 HydrophobicContact CE2-CB 4.39Å; F153-Q212 HydrophobicContact CE2-CG 4.13Å; F153-Q212 HydrophobicContact CG-CG 3.99Å; F153-Q212 HydrophobicContact CZ-CB 3.86Å; F153-Q212 HydrophobicContact CZ-CG 4.02Å; L179-Q212 HydrophobicContact CD1-CB 4.31Å; L179-Q212 HydrophobicContact CD1-CG 3.67Å; Q208-Q212 HydrophobicContact CG-CG 4.33Å; Q208-Q212 VanDerWaalsContact NE2-NE2 3.12Å; Q208-Q212 WeakPolarHBondContact O-CB 3.43Å; Q208-Q212 VanDerWaalsContact O-CG 3.26Å; Q208-Q212 WeakPolarHBondContact O-CG 3.47Å; Q208-Q212 PolarHBondContact O-N 3.35Å; E210-Q212 VanDerWaalsContact C-N 3.29Å; E210-Q212 PolarHBondContact O-N 3.04Å; Q212-T216 WeakPolarHBondContact O-CB 3.15Å; Q212-T216 PolarHBondContact O-N 3.41Å; Q212-T216 PolarHBondContact O-OG1 2.66Å
213A97.4Very high97.5Very high58 Ų5841.7 Ų41.748%0.47925%0.254SS..Hα-helixtrans-64.2-47.3177.200000111.1A209 E210 L215 T216 E217A209-A213 VanDerWaalsContact O-CB 3.29Å; A209-A213 WeakPolarHBondContact O-CB 3.39Å; A209-A213 PolarHBondContact O-N 3.33Å; E210-A213 PolarHBondContact O-N 3.38Å; E210-A213 VanDerWaalsContact O-N 3.15Å; A213-L215 PolarHBondContact O-N 3.28Å; A213-T216 WeakPolarHBondContact O-CB 3.42Å; A213-T216 PolarHBondContact O-N 3Å; A213-E217 PolarHBondContact O-N 3.16Å
214C96.6Very high97.4Very high21 Ų2150.5 Ų50.514%0.14229%0.287CS..Hα-helixtrans-63.4-41.7178.2-65.90000112.4H112 V113 E210 E217 A218H112-C214 HydrophobicContact CB-CB 3.79Å; H112-C214 VanDerWaalsContact CB-SG 3.58Å; V113-C214 HydrophobicContact CG2-CB 4.48Å; E210-C214 PolarHBondContact O-N 3.36Å; E210-C214 PolarHBondContact O-SG 3.2Å; E210-C214 VanDerWaalsContact O-SG 3.35Å; C214-E217 PolarHBondContact O-N 3.07Å; C214-A218 WeakPolarHBondContact O-CB 3.08Å; C214-A218 PolarHBondContact O-N 3.42Å
215L98.4Very high97.3Very high0 Ų052.9 Ų52.90%031%0.311CS..Hα-helixtrans-62.2-45173.6-175.275000111.2F153 A156 L179 L201 A203 A211 A213 E217 A218 L219F153-L215 HydrophobicContact CD1-CD2 3.88Å; F153-L215 HydrophobicContact CE1-CD2 4.35Å; A156-L215 HydrophobicContact CB-CD2 3.59Å; L179-L215 HydrophobicContact CB-CD2 4.08Å; L179-L215 HydrophobicContact CD1-CB 4.41Å; L179-L215 HydrophobicContact CD1-CD2 4.29Å; L201-L215 HydrophobicContact CB-CD1 4.06Å; L201-L215 HydrophobicContact CD1-CD1 4.3Å; A203-L215 HydrophobicContact CB-CB 3.84Å; A203-L215 HydrophobicContact CB-CD1 4.13Å; A211-L215 WeakPolarHBondContact O-CB 3.41Å; A211-L215 PolarHBondContact O-N 2.87Å; A213-L215 PolarHBondContact O-N 3.28Å; L215-E217 VanDerWaalsContact C-N 3.3Å; L215-E217 PolarHBondContact O-N 3.34Å; L215-A218 PolarHBondContact O-N 3.05Å; L215-L219 HydrophobicContact CD1-CG 4.47Å; L215-L219 HydrophobicContact CD2-CD1 4.08Å; L215-L219 HydrophobicContact CG-CD1 3.85Å; L215-L219 HydrophobicContact CG-CG 4.2Å; L215-L219 WeakPolarHBondContact O-CB 3.26Å; L215-L219 VanDerWaalsContact O-CG 3.31Å; L215-L219 WeakPolarHBondContact O-CG 3.25Å; L215-L219 PolarHBondContact O-N 2.73Å
216T98.4Very high97.3Very high34 Ų3454.3 Ų54.321%0.20932%0.323CS..Hα-helixtrans-58.9-44179.8-61.30000110.9Q154 Q212 A213 L219 Q220Q154-T216 PolarHBondContact OE1-OG1 3.44Å; Q212-T216 WeakPolarHBondContact O-CB 3.15Å; Q212-T216 PolarHBondContact O-N 3.41Å; Q212-T216 PolarHBondContact O-OG1 2.66Å; A213-T216 WeakPolarHBondContact O-CB 3.42Å; A213-T216 PolarHBondContact O-N 3Å; T216-L219 PolarHBondContact O-N 2.95Å; T216-Q220 VanDerWaalsContact O-CG 3.28Å; T216-Q220 WeakPolarHBondContact O-CG 3.5Å; T216-Q220 PolarHBondContact O-N 3.23Å
217E97.5Very high97.4Very high100 Ų10052.6 Ų52.647%0.46731%0.306SS..Hα-helixtrans-63.6-44.4176.5-173.9172.9-169.500112.1L110 A213 C214 L215 L219 Q220 L221L110-E217 VanDerWaalsContact CD2-CD 3.43Å; L110-E217 HydrophobicContact CD2-CG 3.93Å; A213-E217 PolarHBondContact O-N 3.16Å; C214-E217 PolarHBondContact O-N 3.07Å; L215-E217 VanDerWaalsContact C-N 3.3Å; L215-E217 PolarHBondContact O-N 3.34Å; E217-L219 PolarHBondContact O-N 3.14Å; E217-Q220 WeakPolarHBondContact O-CB 3.39Å; E217-Q220 PolarHBondContact O-N 3.23Å; E217-L221 PolarHBondContact O-N 3.02Å
218A98.3Very high97.5Very high0 Ų052.4 Ų52.40%030%0.298CS..Hα-helixtrans-61.7-44176.300000112.4L110 V113 L201 C214 L215 Q220 L221 Q222 L227L110-A218 HydrophobicContact CD1-CB 3.94Å; V113-A218 HydrophobicContact CG1-CB 4.21Å; V113-A218 HydrophobicContact CG2-CB 4.08Å; L201-A218 HydrophobicContact CD1-CB 3.85Å; L201-A218 HydrophobicContact CD2-CB 4.14Å; C214-A218 WeakPolarHBondContact O-CB 3.08Å; C214-A218 PolarHBondContact O-N 3.42Å; L215-A218 PolarHBondContact O-N 3.05Å; A218-Q220 VanDerWaalsContact C-N 3.3Å; A218-Q220 PolarHBondContact O-N 2.95Å; A218-L221 PolarHBondContact O-N 3.44Å; A218-Q222 WeakPolarHBondContact O-CB 3.32Å; A218-Q222 PolarHBondContact O-N 3.19Å; A218-L227 HydrophobicContact CB-CD1 4.33Å
219L98.2Very high97.5Very high34 Ų3451.7 Ų51.718%0.17830%0.299CS..Hα-helixtrans-62.3-36.5175.4-72.5170.6000111.8Q154 L201 L215 T216 E217 Q222 A223Q154-L219 HydrophobicContact CB-CD1 3.88Å; Q154-L219 VanDerWaalsContact OE1-CD1 3.27Å; L201-L219 HydrophobicContact CD1-CD2 3.67Å; L201-L219 HydrophobicContact CD1-CG 3.95Å; L215-L219 HydrophobicContact CD1-CG 4.47Å; L215-L219 HydrophobicContact CD2-CD1 4.08Å; L215-L219 HydrophobicContact CG-CD1 3.85Å; L215-L219 HydrophobicContact CG-CG 4.2Å; L215-L219 WeakPolarHBondContact O-CB 3.26Å; L215-L219 VanDerWaalsContact O-CG 3.31Å; L215-L219 WeakPolarHBondContact O-CG 3.25Å; L215-L219 PolarHBondContact O-N 2.73Å; T216-L219 PolarHBondContact O-N 2.95Å; E217-L219 PolarHBondContact O-N 3.14Å; L219-Q222 VanDerWaalsContact CD2-OE1 3.31Å; L219-Q222 PolarHBondContact O-N 3.14Å; L219-A223 WeakPolarHBondContact O-CB 3.2Å; L219-A223 PolarHBondContact O-N 3.41Å
220Q98.1Very high97.5Very high98 Ų9849.4 Ų49.446%0.45828%0.28SS..Hα-helixtrans-65.8-41.7174.8-73.6174.91900112.2T216 E217 A218 R224T216-Q220 VanDerWaalsContact O-CG 3.28Å; T216-Q220 WeakPolarHBondContact O-CG 3.5Å; T216-Q220 PolarHBondContact O-N 3.23Å; E217-Q220 WeakPolarHBondContact O-CB 3.39Å; E217-Q220 PolarHBondContact O-N 3.23Å; A218-Q220 VanDerWaalsContact C-N 3.3Å; A218-Q220 PolarHBondContact O-N 2.95Å; Q220-R224 WeakPolarHBondContact O-CG 3.33Å; Q220-R224 PolarHBondContact O-N 3.45Å
221L97.8Very high97.6Very high35 Ų3546 Ų4618%0.18326%0.264CS..Hα-helixtrans-66.4-40.1174.1-72.7177.6000111.7L110 E217 A218 R224 G225 A226 L227L110-L221 HydrophobicContact CD1-CD1 3.9Å; E217-L221 PolarHBondContact O-N 3.02Å; A218-L221 PolarHBondContact O-N 3.44Å; L221-R224 PolarHBondContact O-N 2.86Å; L221-G225 PolarHBondContact O-N 2.9Å; L221-A226 HydrophobicContact CD2-CB 4.29Å; L221-A226 PolarHBondContact O-N 2.87Å; L221-L227 HydrophobicContact CB-CB 4.2Å; L221-L227 HydrophobicContact CB-CD1 4.11Å; L221-L227 HydrophobicContact CD1-CD1 4.48Å; L221-L227 PolarHBondContact O-N 3.11Å
222Q97.2Very high97.6Very high54 Ų5447 Ų4725%0.25227%0.272SS..Hα-helixtrans-59.9-49174.8-175.3-169.522.500111.1D199 A218 L219 R224 G225 L227D199-Q222 HydrophobicContact CB-CG 3.95Å; D199-Q222 VanDerWaalsContact CB-NE2 3.35Å; D199-Q222 PolarHBondContact O-NE2 3.42Å; A218-Q222 WeakPolarHBondContact O-CB 3.32Å; A218-Q222 PolarHBondContact O-N 3.19Å; L219-Q222 VanDerWaalsContact CD2-OE1 3.31Å; L219-Q222 PolarHBondContact O-N 3.14Å; Q222-R224 PolarHBondContact O-N 3.18Å; Q222-G225 PolarHBondContact O-N 2.81Å; Q222-L227 HydrophobicContact CB-CD2 4.49Å
223A96.6Very high97.6Very high91 Ų9150.9 Ų50.975%0.75229%0.29SS*.Hα-helixtrans-61.5-26.6179.600000113.1L219 G225L219-A223 WeakPolarHBondContact O-CB 3.2Å; L219-A223 PolarHBondContact O-N 3.41Å; A223-G225 VanDerWaalsContact C-N 3.34Å
224R96.7Very high97.5Very high186 Ų18648.6 Ų48.670%0.70227%0.271SS*.THydrogen-bonded Turntrans-86.6-2174.2-66.3173.3-172.2177.16.3113.5Q220 L221 Q222 A226Q220-R224 WeakPolarHBondContact O-CG 3.33Å; Q220-R224 PolarHBondContact O-N 3.45Å; L221-R224 PolarHBondContact O-N 2.86Å; Q222-R224 PolarHBondContact O-N 3.18Å; R224-A226 HydrophobicContact CB-CB 4.25Å; R224-A226 PolarHBondContact O-N 3.06Å
225G95.5Very high97.5Very high50 Ų5047.8 Ų47.852%0.51527%0.265SS..THydrogen-bonded Turntrans67.420.3-173.600000113.7L221 Q222 A223L221-G225 PolarHBondContact O-N 2.9Å; Q222-G225 PolarHBondContact O-N 2.81Å; A223-G225 VanDerWaalsContact C-N 3.34Å
226A97.6Very high97.5Very high31 Ų3150.2 Ų50.226%0.25629%0.286SS..  trans-108.1-8.7-169.500000114.3L221 R224 T229 A230L221-A226 HydrophobicContact CD2-CB 4.29Å; L221-A226 PolarHBondContact O-N 2.87Å; R224-A226 HydrophobicContact CB-CB 4.25Å; R224-A226 PolarHBondContact O-N 3.06Å; A226-T229 PolarHBondContact O-N 2.98Å; A226-A230 WeakPolarHBondContact O-CB 3.45Å; A226-A230 PolarHBondContact O-N 3.23Å
227L98.2Very high97.3Very high0 Ų053.4 Ų53.40%030%0.298CS..Hα-helixtrans-51.9-67.4-174.5-176.973.7000112.7Y105 H107 D199 L201 A218 L221 Q222 T229 A230 H231Y105-L227 WeakPolarHBondContact OH-CD2 3.4Å; H107-L227 PolarHBondContact NE2-O 2.87Å; D199-L227 HydrophobicContact CB-CD2 4.27Å; L201-L227 HydrophobicContact CD2-CD1 4.36Å; L201-L227 HydrophobicContact CD2-CD2 3.51Å; A218-L227 HydrophobicContact CB-CD1 4.33Å; L221-L227 HydrophobicContact CB-CB 4.2Å; L221-L227 HydrophobicContact CB-CD1 4.11Å; L221-L227 HydrophobicContact CD1-CD1 4.48Å; L221-L227 PolarHBondContact O-N 3.11Å; Q222-L227 HydrophobicContact CB-CD2 4.49Å; L227-T229 VanDerWaalsContact C-N 3.28Å; L227-T229 PolarHBondContact O-N 3.23Å; L227-A230 PolarHBondContact O-N 2.92Å; L227-H231 PolarHBondContact O-N 2.81Å
228Y98.4Very high97.1Very high44 Ų4449 Ų4917%0.17328%0.278CS..Hα-helixtrans-62-35.9179.5-178.1-105.7000112.9S88 C103 Y105 R117 A230 H231 A232S88-Y228 WeakPolarHBondContact OG-CE2 3.43Å; C103-Y228 VanDerWaalsContact SG-CE2 3.53Å; Y105-Y228 AromaticContact CD1-CD2 3.99Å; Y105-Y228 HydrophobicContact CD1-CD2 3.99Å; Y105-Y228 HydrophobicContact CD1-CE2 4.21Å; Y105-Y228 HydrophobicContact CD2-CD2 4.49Å; Y105-Y228 AromaticContact CE1-CD2 3.68Å; Y105-Y228 HydrophobicContact CE1-CD2 3.68Å; Y105-Y228 HydrophobicContact CE1-CE2 4.34Å; Y105-Y228 HydrophobicContact CE2-CD2 4.18Å; Y105-Y228 HydrophobicContact CG-CD2 4.4Å; Y105-Y228 AromaticContact CZ-CD2 3.78Å; R117-Y228 VanDerWaalsContact NH1-CB 3.29Å; Y228-A230 PolarHBondContact O-N 2.91Å; Y228-H231 WeakPolarHBondContact O-CB 3.41Å; Y228-H231 PolarHBondContact O-N 2.89Å; Y228-A232 HydrophobicContact CE1-CB 4.4Å; Y228-A232 WeakPolarHBondContact O-CB 3.07Å; Y228-A232 PolarHBondContact O-N 3.42Å
229T97.9Very high96.9Very high65 Ų6550.5 Ų50.540%0.39928%0.284SS..Hα-helixtrans-65.1-40.1-179.8-58.50000111.7A226 L227 A232 Q233A226-T229 PolarHBondContact O-N 2.98Å; L227-T229 VanDerWaalsContact C-N 3.28Å; L227-T229 PolarHBondContact O-N 3.23Å; T229-A232 PolarHBondContact O-N 3.46Å; T229-Q233 HydrophobicContact CG2-CG 4.32Å; T229-Q233 VanDerWaalsContact O-CB 3.29Å; T229-Q233 WeakPolarHBondContact O-CB 3.46Å; T229-Q233 WeakPolarHBondContact O-CG 3.34Å; T229-Q233 PolarHBondContact O-N 3Å
230A97.5Very high96.6Very high21 Ų2154.3 Ų54.317%0.17431%0.308CS..Hα-helixtrans-63.5-42.6175.400000111.3A226 L227 Y228 A234A226-A230 WeakPolarHBondContact O-CB 3.45Å; A226-A230 PolarHBondContact O-N 3.23Å; L227-A230 PolarHBondContact O-N 2.92Å; Y228-A230 PolarHBondContact O-N 2.91Å; A230-A234 WeakPolarHBondContact O-CB 3.3Å; A230-A234 PolarHBondContact O-N 2.81Å
231H97.7Very high96.2Very high0 Ų052.3 Ų52.30%030%0.298CS..Hα-helixtrans-59.5-52.1173.316961.9000112.9T86 S88 Y105 A106 R108 L227 Y228 Q233 A234 W235T86-H231 PolarHBondContact O-CE1 2.82Å; T86-H231 PolarHBondContact O-NE2 3.12Å; S88-H231 PolarHBondContact OG-NE2 2.85Å; Y105-H231 WeakPolarHBondContact CB-NE2 3.39Å; Y105-H231 HydrophobicContact CD2-CB 4.26Å; Y105-H231 AromaticContact CD2-CD2 3.32Å; Y105-H231 WeakPolarHBondContact CD2-CD2 3.42Å; Y105-H231 AromaticContact CD2-CG 3.72Å; Y105-H231 AromaticContact CD2-NE2 3.58Å; Y105-H231 HydrophobicContact CE2-CB 4.19Å; Y105-H231 AromaticContact CE2-CD2 3.96Å; Y105-H231 AromaticContact CG-CD2 3.79Å; Y105-H231 AromaticContact CG-NE2 3.78Å; A106-H231 PolarHBondContact O-CE1 3.17Å; A106-H231 PolarHBondContact O-ND1 2.95Å; R108-H231 PolarHBondContact N-ND1 3.34Å; R108-H231 VanDerWaalsContact N-ND1 3.14Å; L227-H231 PolarHBondContact O-N 2.81Å; Y228-H231 WeakPolarHBondContact O-CB 3.41Å; Y228-H231 PolarHBondContact O-N 2.89Å; H231-Q233 VanDerWaalsContact C-N 3.32Å; H231-Q233 PolarHBondContact O-N 3.27Å; H231-A234 WeakPolarHBondContact O-CB 3.24Å; H231-A234 PolarHBondContact O-N 2.87Å; H231-W235 AromaticContact CE1-CD1 3.36Å; H231-W235 AromaticContact CE1-NE1 3.18Å; H231-W235 PolarHBondContact CE1-NE1 2.89Å; H231-W235 AromaticContact ND1-CD1 3.69Å; H231-W235 AromaticContact ND1-NE1 3.85Å; H231-W235 AromaticContact NE2-CD1 3.85Å; H231-W235 AromaticContact NE2-NE1 3.86Å; H231-W235 PolarHBondContact O-N 2.85Å; H231-W235 VanDerWaalsContact O-N 3.17Å
232A97.9Very high95.9Very high21 Ų2150.6 Ų50.617%0.17429%0.29CS..Hα-helixtrans-63.1-38.3-179.500000112T86 Y228 T229 W235 A236T86-A232 HydrophobicContact CG2-CB 3.98Å; Y228-A232 HydrophobicContact CE1-CB 4.4Å; Y228-A232 WeakPolarHBondContact O-CB 3.07Å; Y228-A232 PolarHBondContact O-N 3.42Å; T229-A232 PolarHBondContact O-N 3.46Å; A232-W235 PolarHBondContact O-N 3.3Å; A232-A236 WeakPolarHBondContact O-CB 3.49Å; A232-A236 PolarHBondContact O-N 3.17Å
233Q97.4Very high95.7Very high125 Ų12548.8 Ų48.858%0.58429%0.286SS*.Hα-helixtrans-64.8-38.3174.6-76.6172.9-800112.3T229 H231 W235 A236 Q237T229-Q233 HydrophobicContact CG2-CG 4.32Å; T229-Q233 VanDerWaalsContact O-CB 3.29Å; T229-Q233 WeakPolarHBondContact O-CB 3.46Å; T229-Q233 WeakPolarHBondContact O-CG 3.34Å; T229-Q233 PolarHBondContact O-N 3Å; H231-Q233 VanDerWaalsContact C-N 3.32Å; H231-Q233 PolarHBondContact O-N 3.27Å; Q233-W235 VanDerWaalsContact C-N 3.32Å; Q233-W235 PolarHBondContact O-N 3.12Å; Q233-A236 PolarHBondContact O-N 3.03Å; Q233-Q237 WeakPolarHBondContact O-CB 3.29Å; Q233-Q237 PolarHBondContact O-N 3.43Å
234A96.3Very high95.6Very high10 Ų1045.2 Ų45.28%0.08325%0.254CS..Hα-helixtrans-64.9-36.9176.800000112.2R108 T109 A230 H231 L238R108-A234 HydrophobicContact CB-CB 4.08Å; R108-A234 HydrophobicContact CG-CB 4.12Å; T109-A234 HydrophobicContact CG2-CB 3.46Å; T109-A234 VanDerWaalsContact CG2-CB 3.46Å; A230-A234 WeakPolarHBondContact O-CB 3.3Å; A230-A234 PolarHBondContact O-N 2.81Å; H231-A234 WeakPolarHBondContact O-CB 3.24Å; H231-A234 PolarHBondContact O-N 2.87Å; A234-L238 PolarHBondContact O-N 3.18Å; A234-L238 VanDerWaalsContact O-N 3.1Å
235W96.9Very high95.4Very high4 Ų440.2 Ų40.22%0.01524%0.241CC..Hα-helixtrans-69.5-44.2171.1-84.2109.7000112.6N85 T86 H231 A232 Q233 Q237 L238 W239 Y261 L264N85-W235 WeakPolarHBondContact O-CB 3.48Å; T86-W235 VanDerWaalsContact C-CD1 3.42Å; T86-W235 PolarHBondContact O-NE1 3.47Å; H231-W235 AromaticContact CE1-CD1 3.36Å; H231-W235 AromaticContact CE1-NE1 3.18Å; H231-W235 PolarHBondContact CE1-NE1 2.89Å; H231-W235 AromaticContact ND1-CD1 3.69Å; H231-W235 AromaticContact ND1-NE1 3.85Å; H231-W235 AromaticContact NE2-CD1 3.85Å; H231-W235 AromaticContact NE2-NE1 3.86Å; H231-W235 PolarHBondContact O-N 2.85Å; H231-W235 VanDerWaalsContact O-N 3.17Å; A232-W235 PolarHBondContact O-N 3.3Å; Q233-W235 VanDerWaalsContact C-N 3.32Å; Q233-W235 PolarHBondContact O-N 3.12Å; W235-Q237 VanDerWaalsContact C-N 3.26Å; W235-Q237 PolarHBondContact O-N 3.07Å; W235-L238 HydrophobicContact CE3-CD2 3.59Å; W235-L238 HydrophobicContact CZ3-CD2 3.54Å; W235-L238 WeakPolarHBondContact O-CB 3.13Å; W235-L238 PolarHBondContact O-N 2.99Å; W235-L238 VanDerWaalsContact O-N 3.11Å; W235-W239 AromaticContact CE3-CE2 3.85Å; W235-W239 HydrophobicContact CE3-CZ2 4.11Å; W235-W239 AromaticContact CE3-NE1 3.45Å; W235-W239 AromaticContact CZ3-CZ2 3.79Å; W235-W239 HydrophobicContact CZ3-CZ2 3.79Å; W235-W239 PolarHBondContact O-N 3.16Å; W235-Y261 AromaticContact CH2-CD2 3.53Å; W235-Y261 HydrophobicContact CH2-CD2 3.53Å; W235-Y261 AromaticContact CH2-CE2 3.61Å; W235-Y261 HydrophobicContact CH2-CE2 3.61Å; W235-Y261 HydrophobicContact CZ2-CD2 4.11Å; W235-Y261 AromaticContact CZ2-CE2 3.72Å; W235-Y261 HydrophobicContact CZ2-CE2 3.72Å; W235-Y261 AromaticContact CZ3-CD2 3.97Å; W235-Y261 HydrophobicContact CZ3-CD2 3.97Å; W235-Y261 HydrophobicContact CZ3-CE2 4.41Å; W235-L264 HydrophobicContact CZ3-CB 4.46Å
236A96.4Very high95.4Very high52 Ų5237.9 Ų37.943%0.4322%0.217SC..Hα-helixtrans-57.2-42.2175.800000111.6A232 Q233 W239 V240A232-A236 WeakPolarHBondContact O-CB 3.49Å; A232-A236 PolarHBondContact O-N 3.17Å; Q233-A236 PolarHBondContact O-N 3.03Å; A236-W239 PolarHBondContact O-N 3.09Å; A236-V240 WeakPolarHBondContact O-CG2 3.45Å; A236-V240 PolarHBondContact O-N 3.46Å; A236-V240 VanDerWaalsContact O-N 3.08Å
237Q94.5Very high95.2Very high101 Ų10139.2 Ų39.247%0.47222%0.221SC..Hα-helixtrans-63.3-43.1175.6-176.659.132.400111.9Q233 W235 W239 V240 E241Q233-Q237 WeakPolarHBondContact O-CB 3.29Å; Q233-Q237 PolarHBondContact O-N 3.43Å; W235-Q237 VanDerWaalsContact C-N 3.26Å; W235-Q237 PolarHBondContact O-N 3.07Å; Q237-W239 VanDerWaalsContact C-N 3.34Å; Q237-W239 PolarHBondContact O-N 3.3Å; Q237-V240 PolarHBondContact O-N 2.8Å; Q237-E241 PolarHBondContact NE2-OE1 2.69Å; Q237-E241 WeakPolarHBondContact O-CG 3.28Å; Q237-E241 PolarHBondContact O-N 2.61Å; Q237-E241 VanDerWaalsContact O-N 3.15Å
238L94Very high94.9Very high6 Ų639.9 Ų39.93%0.03123%0.228CC..Hα-helixtrans-56.9-48.2175-176.174.8000111.5A234 W235 V240 E241 C242 L264 P270 H314A234-L238 PolarHBondContact O-N 3.18Å; A234-L238 VanDerWaalsContact O-N 3.1Å; W235-L238 HydrophobicContact CE3-CD2 3.59Å; W235-L238 HydrophobicContact CZ3-CD2 3.54Å; W235-L238 WeakPolarHBondContact O-CB 3.13Å; W235-L238 PolarHBondContact O-N 2.99Å; W235-L238 VanDerWaalsContact O-N 3.11Å; L238-V240 VanDerWaalsContact C-N 3.28Å; L238-V240 PolarHBondContact O-N 3.09Å; L238-E241 PolarHBondContact O-N 2.83Å; L238-C242 PolarHBondContact O-N 2.51Å; L238-C242 PolarHBondContact O-SG 3.46Å; L238-C242 VanDerWaalsContact O-SG 3.37Å; L238-L264 HydrophobicContact CD2-CB 4Å; L238-L264 HydrophobicContact CD2-CD1 3.84Å; L238-L264 HydrophobicContact CD2-CG 4.44Å; L238-L264 HydrophobicContact CG-CD1 4.32Å; L238-P270 HydrophobicContact CD1-CG 4.45Å; L238-H314 VanDerWaalsContact CD1-CE1 3.45Å; L238-H314 WeakPolarHBondContact CD1-CE1 3.43Å; L238-H314 WeakPolarHBondContact CD1-NE2 3.34Å
239W95Very high94.7Very high33 Ų3340.2 Ų40.213%0.12524%0.236CC..Hα-helixtrans-69.1-23.4-178.1-66.7127.2000114.2T84 W235 A236 Q237 C242 R257 L260 L264T84-W239 WeakPolarHBondContact O-CZ2 3.44Å; T84-W239 PolarHBondContact O-NE1 3.2Å; W235-W239 AromaticContact CE3-CE2 3.85Å; W235-W239 HydrophobicContact CE3-CZ2 4.11Å; W235-W239 AromaticContact CE3-NE1 3.45Å; W235-W239 AromaticContact CZ3-CZ2 3.79Å; W235-W239 HydrophobicContact CZ3-CZ2 3.79Å; W235-W239 PolarHBondContact O-N 3.16Å; A236-W239 PolarHBondContact O-N 3.09Å; Q237-W239 VanDerWaalsContact C-N 3.34Å; Q237-W239 PolarHBondContact O-N 3.3Å; W239-C242 VanDerWaalsContact O-O 3.11Å; W239-R257 VanDerWaalsContact CD2-CZ 3.45Å; W239-R257 VanDerWaalsContact CZ3-NH1 3.25Å; W239-L260 HydrophobicContact CH2-CB 4.43Å; W239-L260 HydrophobicContact CH2-CD2 4.46Å; W239-L260 HydrophobicContact CH2-CG 4.17Å; W239-L260 HydrophobicContact CZ3-CB 4.48Å; W239-L260 HydrophobicContact CZ3-CD2 3.73Å; W239-L260 HydrophobicContact CZ3-CG 3.86Å; W239-L264 HydrophobicContact CE3-CD1 4.31Å; W239-L264 HydrophobicContact CH2-CD1 3.89Å; W239-L264 HydrophobicContact CZ3-CD1 3.67Å
240V92Very high94.4Very high113 Ų11338.3 Ų38.369%0.68522%0.223SC*.Hα-helixtrans-72.3-33.9169168.80000111.1A236 Q237 L238A236-V240 WeakPolarHBondContact O-CG2 3.45Å; A236-V240 PolarHBondContact O-N 3.46Å; A236-V240 VanDerWaalsContact O-N 3.08Å; Q237-V240 PolarHBondContact O-N 2.8Å; L238-V240 VanDerWaalsContact C-N 3.28Å; L238-V240 PolarHBondContact O-N 3.09Å
241E89.3Confident94.2Very high56 Ų5641.8 Ų41.826%0.26224%0.236SC..Hα-helixtrans-84.1-27.8-174.8-75.2-172.1-150.900114.6Q237 L238 G626 K633Q237-E241 PolarHBondContact NE2-OE1 2.69Å; Q237-E241 WeakPolarHBondContact O-CG 3.28Å; Q237-E241 PolarHBondContact O-N 2.61Å; Q237-E241 VanDerWaalsContact O-N 3.15Å; L238-E241 PolarHBondContact O-N 2.83Å; E241-G626 WeakPolarHBondContact O-CA 3.47Å; E241-K633 IonicContact OE2-NZ 2.83Å; E241-K633 PolarHBondContact OE2-NZ 2.82Å
242C91Very high94.1Very high0 Ų041.8 Ų41.80%024%0.236CC..  trans-142.5143.8177.4670000111.3L238 W239 F313 H314 S625L238-C242 PolarHBondContact O-N 2.51Å; L238-C242 PolarHBondContact O-SG 3.46Å; L238-C242 VanDerWaalsContact O-SG 3.37Å; W239-C242 VanDerWaalsContact O-O 3.11Å; C242-F313 HydrophobicContact CB-CB 3.87Å; C242-F313 HydrophobicContact CB-CD1 3.71Å; C242-F313 HydrophobicContact CB-CG 3.97Å; C242-H314 PolarHBondContact SG-NE2 3.42Å; C242-S625 WeakPolarHBondContact CA-O 3.15Å
243G92.3Very high94Very high16 Ų1642.6 Ų42.617%0.16523%0.234CC..EExtended strand (participates in β ladder)trans-167.1149.6176.300000113.6V624 S625G243-V624 CarbonylContact O-C 3.59Å; G243-V624 WeakPolarHBondContact O-CA 3.37Å; G243-S625 PolarHBondContact N-O 3.35Å; G243-S625 PolarHBondContact O-N 2.88Å
244L95.1Very high93.9Very high16 Ų1638 Ų388%0.08421%0.213CC..EExtended strand (participates in β ladder)trans-127.2115.7170.1177.461.4000107.7L256 L260 L592 V595 V596 V622 V624L244-L256 HydrophobicContact CD2-CD2 3.68Å; L244-L256 HydrophobicContact CD2-CG 4.49Å; L244-L256 HydrophobicContact CG-CD2 4.45Å; L244-L260 HydrophobicContact CB-CD2 4.14Å; L244-L592 HydrophobicContact CD2-CD2 3.8Å; L244-V595 HydrophobicContact CD1-CG1 4Å; L244-V595 HydrophobicContact CD2-CB 4.27Å; L244-V595 HydrophobicContact CD2-CG1 4.21Å; L244-V595 HydrophobicContact CG-CG1 4.45Å; L244-V596 HydrophobicContact CD1-CG2 4.16Å; L244-V596 HydrophobicContact CD2-CG2 3.69Å; L244-V596 HydrophobicContact CG-CG2 4.47Å; L244-V622 HydrophobicContact CD1-CG1 4.3Å; L244-V624 HydrophobicContact CD1-CG2 3.85Å
245D92.9Very high93.9Very high80 Ų8037.5 Ų37.543%0.42821%0.209SC..EExtended strand (participates in β ladder)trans-133.3151.9179.9-17228.5000110.9S623D245-S623 PolarHBondContact N-O 2.98Å; D245-S623 PolarHBondContact O-N 3.33Å
246V94.2Very high93.9Very high2 Ų237.4 Ų37.41%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-137143.6179.4-60.30000110.6G248 L252 R253 L256 V595 I619 R621 V622V246-G248 PolarHBondContact O-N 2.97Å; V246-L252 HydrophobicContact CG2-CD2 3.89Å; V246-L252 HydrophobicContact CG2-CG 3.99Å; V246-R253 HydrophobicContact CG2-CG 3.81Å; V246-R253 WeakPolarHBondContact O-CD 3.45Å; V246-L256 HydrophobicContact CB-CD1 4.38Å; V246-L256 HydrophobicContact CG1-CD1 3.68Å; V246-L256 HydrophobicContact CG2-CD1 3.75Å; V246-V595 HydrophobicContact CG1-CG1 4.3Å; V246-I619 HydrophobicContact CB-CG2 4.13Å; V246-I619 HydrophobicContact CG1-CG2 4.38Å; V246-R621 CarbonylContact C-O 3.5Å; V246-R621 VanDerWaalsContact CA-O 3.25Å; V246-R621 WeakPolarHBondContact CA-O 3.42Å; V246-V622 HydrophobicContact CG1-CG1 4.37Å; V246-V622 HydrophobicContact CG1-CG2 4.14Å
247V94.5Very high93.9Very high59 Ų5936.7 Ų36.736%0.35820%0.195SC..EExtended strand (participates in β ladder)trans-88.298.6165-178.10000107.2I619 S620 R621V247-I619 WeakPolarHBondContact O-CA 3.31Å; V247-S620 WeakPolarHBondContact CB-OG 3.47Å; V247-S620 WeakPolarHBondContact CG1-OG 3.43Å; V247-S620 PolarHBondContact O-N 2.9Å; V247-R621 HydrophobicContact CB-CB 4.1Å; V247-R621 HydrophobicContact CG2-CB 3.89Å; V247-R621 PolarHBondContact N-O 3.24Å
248G92.1Very high94Very high14 Ų1431.9 Ų31.914%0.14417%0.172CC..SBendtrans-174.7-167.9-17700000112.5V246 R253 G618V246-G248 PolarHBondContact O-N 2.97Å; G248-R253 PolarHBondContact O-NE 2.7Å; G248-G618 VanDerWaalsContact CA-O 3.28Å; G248-G618 WeakPolarHBondContact CA-O 3.32Å
249P92.9Very high94.2Very high51 Ų5131.6 Ų31.633%0.33117%0.171SC..  trans-55.7143.8-174-25.633.5000113.1Q251 L252 R253 G618P249-Q251 VanDerWaalsContact C-N 3.31Å; P249-Q251 PolarHBondContact O-N 2.97Å; P249-L252 PolarHBondContact O-N 3.43Å; P249-L252 VanDerWaalsContact O-N 3.14Å; P249-R253 PolarHBondContact O-N 3.14Å; P249-R253 VanDerWaalsContact O-N 3.16Å; P249-G618 WeakPolarHBondContact CD-O 3.36Å
250L92.7Very high94.3Very high24 Ų2430.2 Ų30.213%0.12617%0.166CC..Hα-helixtrans-54.6-44179.6178.766.9000113E6 P8 L252 R253 Q254E6-L250 HydrophobicContact CB-CD1 4.19Å; E6-L250 HydrophobicContact CB-CD2 3.64Å; E6-L250 HydrophobicContact CG-CD2 4.42Å; E6-L250 WeakPolarHBondContact OE2-CD2 3.41Å; P8-L250 HydrophobicContact CB-CD1 4.04Å; L250-L252 VanDerWaalsContact C-N 3.26Å; L250-L252 PolarHBondContact O-N 3.13Å; L250-R253 WeakPolarHBondContact O-CB 3.18Å; L250-R253 PolarHBondContact O-N 2.72Å; L250-Q254 HydrophobicContact CD1-CG 4.03Å; L250-Q254 HydrophobicContact CG-CG 4.16Å; L250-Q254 WeakPolarHBondContact O-CG 3.37Å; L250-Q254 PolarHBondContact O-N 3.09Å
251Q93.6Very high94.6Very high95 Ų9524.9 Ų24.944%0.44413%0.133SC..Hα-helixtrans-56.7-40.9-179.8-172.5178.729.400112P249 Q254 A255 M565P249-Q251 VanDerWaalsContact C-N 3.31Å; P249-Q251 PolarHBondContact O-N 2.97Å; Q251-Q254 PolarHBondContact O-N 2.84Å; Q251-A255 VanDerWaalsContact O-CB 3.29Å; Q251-A255 WeakPolarHBondContact O-CB 3.3Å; Q251-A255 PolarHBondContact O-N 3.03Å; Q251-M565 HydrophobicContact CG-CE 3.91Å
252L94.6Very high95Very high0 Ų022.2 Ų22.20%012%0.121CC..Hα-helixtrans-66.9-44.2175.4173.461.2000111.3V246 P249 L250 Q254 A255 L256 F562 F591 I619V246-L252 HydrophobicContact CG2-CD2 3.89Å; V246-L252 HydrophobicContact CG2-CG 3.99Å; P249-L252 PolarHBondContact O-N 3.43Å; P249-L252 VanDerWaalsContact O-N 3.14Å; L250-L252 VanDerWaalsContact C-N 3.26Å; L250-L252 PolarHBondContact O-N 3.13Å; L252-Q254 VanDerWaalsContact C-N 3.31Å; L252-Q254 PolarHBondContact O-N 3.46Å; L252-A255 PolarHBondContact O-N 2.8Å; L252-L256 HydrophobicContact CD1-CD1 3.85Å; L252-L256 HydrophobicContact CD1-CG 3.92Å; L252-L256 HydrophobicContact CG-CD1 3.96Å; L252-L256 HydrophobicContact CG-CG 4.44Å; L252-L256 WeakPolarHBondContact O-CG 3.29Å; L252-L256 PolarHBondContact O-N 3.17Å; L252-F562 HydrophobicContact CB-CZ 4.15Å; L252-F562 HydrophobicContact CD1-CE1 4.39Å; L252-F562 HydrophobicContact CD1-CZ 4.13Å; L252-F591 HydrophobicContact CD1-CE1 4.45Å; L252-F591 HydrophobicContact CD1-CZ 3.67Å; L252-I619 HydrophobicContact CD2-CD1 3.43Å; L252-I619 VanDerWaalsContact CD2-CD1 3.43Å; L252-I619 HydrophobicContact CD2-CG1 3.82Å
253R95.7Very high95.2Very high37 Ų3722.4 Ų22.414%0.1412%0.122CC..Hα-helixtrans-59.8-43.3177.2-68.9-173-73.9124.9-5111.3D3 E6 P8 V246 G248 P249 L250 R257D3-R253 PolarHBondContact O-NH2 2.91Å; E6-R253 PolarHBondContact O-NH1 3.12Å; P8-R253 HydrophobicContact CB-CB 3.72Å; P8-R253 HydrophobicContact CG-CB 4.45Å; V246-R253 HydrophobicContact CG2-CG 3.81Å; V246-R253 WeakPolarHBondContact O-CD 3.45Å; G248-R253 PolarHBondContact O-NE 2.7Å; P249-R253 PolarHBondContact O-N 3.14Å; P249-R253 VanDerWaalsContact O-N 3.16Å; L250-R253 WeakPolarHBondContact O-CB 3.18Å; L250-R253 PolarHBondContact O-N 2.72Å; R253-R257 WeakPolarHBondContact O-CB 3.38Å; R253-R257 PolarHBondContact O-N 3.19Å
254Q95.8Very high95.4Very high29 Ų2921.8 Ų21.814%0.13612%0.115CC..Hα-helixtrans-66.4-42175.5-71.6-177.3-28.400112.2P8 F11 L250 Q251 L252 L256 R257 G258P8-Q254 HydrophobicContact CB-CG 4.19Å; F11-Q254 HydrophobicContact CD1-CG 4.34Å; F11-Q254 HydrophobicContact CE1-CB 3.8Å; F11-Q254 HydrophobicContact CE1-CG 3.88Å; F11-Q254 HydrophobicContact CZ-CB 4.48Å; F11-Q254 WeakPolarHBondContact CZ-O 3.36Å; L250-Q254 HydrophobicContact CD1-CG 4.03Å; L250-Q254 HydrophobicContact CG-CG 4.16Å; L250-Q254 WeakPolarHBondContact O-CG 3.37Å; L250-Q254 PolarHBondContact O-N 3.09Å; Q251-Q254 PolarHBondContact O-N 2.84Å; L252-Q254 VanDerWaalsContact C-N 3.31Å; L252-Q254 PolarHBondContact O-N 3.46Å; Q254-L256 PolarHBondContact O-N 3.19Å; Q254-R257 PolarHBondContact O-N 3.43Å; Q254-G258 PolarHBondContact O-N 2.69Å
255A96.3Very high95.4Very high0 Ų021 Ų210%011%0.111CC..Hα-helixtrans-61.1-45.2176.800000111.7Q251 L252 S259 F562 M565 F591Q251-A255 VanDerWaalsContact O-CB 3.29Å; Q251-A255 WeakPolarHBondContact O-CB 3.3Å; Q251-A255 PolarHBondContact O-N 3.03Å; L252-A255 PolarHBondContact O-N 2.8Å; A255-S259 VanDerWaalsContact O-CB 3.23Å; A255-S259 WeakPolarHBondContact O-CB 3.33Å; A255-S259 PolarHBondContact O-N 3.08Å; A255-S259 PolarHBondContact O-OG 3.1Å; A255-F562 HydrophobicContact CB-CD1 4.21Å; A255-F562 HydrophobicContact CB-CE1 3.81Å; A255-M565 HydrophobicContact CB-CE 4.19Å; A255-M565 HydrophobicContact CB-SD 3.56Å; A255-M565 VanDerWaalsContact CB-SD 3.56Å; A255-F591 HydrophobicContact CB-CE1 3.76Å; A255-F591 HydrophobicContact CB-CZ 3.87Å
256L96.5Very high95.5Very high2 Ų217.4 Ų17.41%0.019%0.092CC..Hα-helixtrans-65.6-46.2177.2-68.8169.1000111.3L244 V246 L252 Q254 L260 F591 L592 V595L244-L256 HydrophobicContact CD2-CD2 3.68Å; L244-L256 HydrophobicContact CD2-CG 4.49Å; L244-L256 HydrophobicContact CG-CD2 4.45Å; V246-L256 HydrophobicContact CB-CD1 4.38Å; V246-L256 HydrophobicContact CG1-CD1 3.68Å; V246-L256 HydrophobicContact CG2-CD1 3.75Å; L252-L256 HydrophobicContact CD1-CD1 3.85Å; L252-L256 HydrophobicContact CD1-CG 3.92Å; L252-L256 HydrophobicContact CG-CD1 3.96Å; L252-L256 HydrophobicContact CG-CG 4.44Å; L252-L256 WeakPolarHBondContact O-CG 3.29Å; L252-L256 PolarHBondContact O-N 3.17Å; Q254-L256 PolarHBondContact O-N 3.19Å; L256-L260 VanDerWaalsContact O-CB 3.29Å; L256-L260 WeakPolarHBondContact O-CB 3.24Å; L256-L260 PolarHBondContact O-N 2.7Å; L256-F591 HydrophobicContact CD2-CD1 4.1Å; L256-F591 HydrophobicContact CD2-CE1 3.49Å; L256-F591 VanDerWaalsContact CD2-CE1 3.49Å; L256-F591 HydrophobicContact CD2-CZ 4.18Å; L256-F591 HydrophobicContact CG-CE1 3.92Å; L256-F591 HydrophobicContact CG-CZ 4.47Å; L256-L592 HydrophobicContact CD2-CD2 4.42Å; L256-V595 HydrophobicContact CD1-CG1 4.31Å; L256-V595 HydrophobicContact CD2-CB 3.87Å; L256-V595 HydrophobicContact CD2-CG1 4.18Å; L256-V595 HydrophobicContact CD2-CG2 3.55Å
257R96.8Very high95.5Very high36 Ų3617.7 Ų17.714%0.1369%0.093CC..Hα-helixtrans-62.7-45.2179.4-17956.2176.3-159.1-2.1112.1T9 T84 N85 W239 R253 Q254 Y261T9-R257 HydrophobicContact CG2-CG 4.18Å; T84-R257 PolarHBondContact O-NH2 2.65Å; T84-R257 WeakPolarHBondContact OG1-CG 3.48Å; T84-R257 PolarHBondContact OG1-NE 3.39Å; N85-R257 PolarHBondContact OD1-NH2 2.83Å; W239-R257 VanDerWaalsContact CD2-CZ 3.45Å; W239-R257 VanDerWaalsContact CZ3-NH1 3.25Å; R253-R257 WeakPolarHBondContact O-CB 3.38Å; R253-R257 PolarHBondContact O-N 3.19Å; Q254-R257 PolarHBondContact O-N 3.43Å; R257-Y261 WeakPolarHBondContact O-CB 3.41Å; R257-Y261 PolarHBondContact O-N 2.88Å
258G97.3Very high95.1Very high0 Ų015.8 Ų15.80%08%0.082CC..Hα-helixtrans-63.8-49.7177.700000111.7Q254 L260 Y261 Y262Q254-G258 PolarHBondContact O-N 2.69Å; G258-L260 VanDerWaalsContact C-N 3.31Å; G258-L260 PolarHBondContact O-N 3.36Å; G258-Y261 WeakPolarHBondContact O-CB 3.2Å; G258-Y261 PolarHBondContact O-N 2.71Å; G258-Y261 VanDerWaalsContact O-N 3.15Å; G258-Y262 WeakPolarHBondContact O-CD2 3.47Å; G258-Y262 PolarHBondContact O-N 2.86Å
259S97.7Very high94.8Very high0 Ų018.3 Ų18.30%09%0.09CC..Hα-helixtrans-57.3-45.1177.6-590000111.7A255 L263A255-S259 VanDerWaalsContact O-CB 3.23Å; A255-S259 WeakPolarHBondContact O-CB 3.33Å; A255-S259 PolarHBondContact O-N 3.08Å; A255-S259 PolarHBondContact O-OG 3.1Å; S259-L263 WeakPolarHBondContact O-CB 3.34Å; S259-L263 PolarHBondContact O-N 3.42Å; S259-L263 VanDerWaalsContact O-N 3.1Å
260L96.8Very high94Very high4 Ų417.3 Ų17.32%0.0218%0.084CC..Hα-helixtrans-68.5-38.6178.1-169.758.5000111.7W239 L244 L256 G258 L264 F313 L592W239-L260 HydrophobicContact CH2-CB 4.43Å; W239-L260 HydrophobicContact CH2-CD2 4.46Å; W239-L260 HydrophobicContact CH2-CG 4.17Å; W239-L260 HydrophobicContact CZ3-CB 4.48Å; W239-L260 HydrophobicContact CZ3-CD2 3.73Å; W239-L260 HydrophobicContact CZ3-CG 3.86Å; L244-L260 HydrophobicContact CB-CD2 4.14Å; L256-L260 VanDerWaalsContact O-CB 3.29Å; L256-L260 WeakPolarHBondContact O-CB 3.24Å; L256-L260 PolarHBondContact O-N 2.7Å; G258-L260 VanDerWaalsContact C-N 3.31Å; G258-L260 PolarHBondContact O-N 3.36Å; L260-L264 HydrophobicContact CD1-CD1 3.91Å; L260-L264 HydrophobicContact CD1-CD2 4.49Å; L260-L264 HydrophobicContact CD1-CG 3.96Å; L260-L264 HydrophobicContact CD2-CD1 4.43Å; L260-L264 HydrophobicContact CG-CD1 3.72Å; L260-L264 HydrophobicContact CG-CG 4.18Å; L260-L264 VanDerWaalsContact O-CB 3.23Å; L260-L264 WeakPolarHBondContact O-CB 3.45Å; L260-L264 WeakPolarHBondContact O-CG 3.35Å; L260-L264 PolarHBondContact O-N 3.06Å; L260-F313 HydrophobicContact CD1-CE2 4.4Å; L260-L592 HydrophobicContact CB-CD2 4.14Å; L260-L592 HydrophobicContact CD1-CD1 4.38Å
261Y97.4Very high93.2Very high1 Ų125.6 Ų25.60%0.00412%0.119CC..Hα-helixtrans-59.5-53.4174.5160-100.5000111.8T25 L82 T84 G87 W235 R257 G258 L263 L264 S265T25-Y261 PolarHBondContact O-OH 2.87Å; L82-Y261 HydrophobicContact CD1-CE1 4.22Å; L82-Y261 HydrophobicContact CD2-CD1 4.25Å; L82-Y261 HydrophobicContact CD2-CE1 3.79Å; L82-Y261 HydrophobicContact CG-CE1 4.38Å; T84-Y261 HydrophobicContact CG2-CD1 4.08Å; T84-Y261 HydrophobicContact CG2-CD2 4.33Å; T84-Y261 HydrophobicContact CG2-CG 3.79Å; G87-Y261 VanDerWaalsContact CA-CE2 3.48Å; W235-Y261 AromaticContact CH2-CD2 3.53Å; W235-Y261 HydrophobicContact CH2-CD2 3.53Å; W235-Y261 AromaticContact CH2-CE2 3.61Å; W235-Y261 HydrophobicContact CH2-CE2 3.61Å; W235-Y261 HydrophobicContact CZ2-CD2 4.11Å; W235-Y261 AromaticContact CZ2-CE2 3.72Å; W235-Y261 HydrophobicContact CZ2-CE2 3.72Å; W235-Y261 AromaticContact CZ3-CD2 3.97Å; W235-Y261 HydrophobicContact CZ3-CD2 3.97Å; W235-Y261 HydrophobicContact CZ3-CE2 4.41Å; R257-Y261 WeakPolarHBondContact O-CB 3.41Å; R257-Y261 PolarHBondContact O-N 2.88Å; G258-Y261 WeakPolarHBondContact O-CB 3.2Å; G258-Y261 PolarHBondContact O-N 2.71Å; G258-Y261 VanDerWaalsContact O-N 3.15Å; Y261-L263 VanDerWaalsContact C-N 3.31Å; Y261-L263 PolarHBondContact O-N 3.4Å; Y261-L264 PolarHBondContact O-N 3.37Å; Y261-S265 VanDerWaalsContact O-CB 3.27Å; Y261-S265 WeakPolarHBondContact O-CB 3.47Å; Y261-S265 PolarHBondContact O-N 3.47Å; Y261-S265 PolarHBondContact O-OG 2.88Å
262Y97.9Very high92.4Very high1 Ų122.4 Ų22.40%0.00411%0.109CC..Hα-helixtrans-62.1-42.1-177.3-74.2-63.7000111T25 L82 G258 S265 A266 F569 V571 N583 M588T25-Y262 WeakPolarHBondContact OG1-CD1 3.42Å; T25-Y262 WeakPolarHBondContact OG1-CE1 3.49Å; L82-Y262 HydrophobicContact CD2-CE1 4.32Å; L82-Y262 VanDerWaalsContact CD2-OH 3.25Å; L82-Y262 WeakPolarHBondContact CD2-OH 3.4Å; G258-Y262 WeakPolarHBondContact O-CD2 3.47Å; G258-Y262 PolarHBondContact O-N 2.86Å; Y262-S265 PolarHBondContact O-N 3.29Å; Y262-S265 PolarHBondContact O-OG 3.18Å; Y262-A266 PolarHBondContact O-N 3.3Å; Y262-F569 PolarHBondContact OH-O 3.01Å; Y262-V571 VanDerWaalsContact OH-CG2 3.31Å; Y262-V571 WeakPolarHBondContact OH-CG2 3.21Å; Y262-N583 WeakPolarHBondContact CD1-OD1 3.15Å; Y262-M588 WeakPolarHBondContact CB-SD 3.44Å; Y262-M588 HydrophobicContact CD2-CE 3.41Å; Y262-M588 VanDerWaalsContact CD2-CE 3.41Å; Y262-M588 HydrophobicContact CD2-SD 3.71Å; Y262-M588 HydrophobicContact CE2-CE 4.03Å; Y262-M588 HydrophobicContact CG-CE 3.85Å; Y262-M588 HydrophobicContact CG-SD 3.91Å
263L96.9Very high91.3Very high3 Ų328.6 Ų28.62%0.01615%0.149CC..Hα-helixtrans-62.1-48.8174.9-168.863.5000112.2S259 Y261 S265 A266 M306 I310 L592S259-L263 WeakPolarHBondContact O-CB 3.34Å; S259-L263 PolarHBondContact O-N 3.42Å; S259-L263 VanDerWaalsContact O-N 3.1Å; Y261-L263 VanDerWaalsContact C-N 3.31Å; Y261-L263 PolarHBondContact O-N 3.4Å; L263-S265 VanDerWaalsContact C-N 3.32Å; L263-S265 PolarHBondContact O-N 2.93Å; L263-A266 PolarHBondContact O-N 2.85Å; L263-M306 HydrophobicContact CD1-CB 3.97Å; L263-M306 HydrophobicContact CD1-CG 4.08Å; L263-M306 HydrophobicContact CD1-SD 4.45Å; L263-I310 HydrophobicContact CD1-CD1 3.95Å; L263-I310 HydrophobicContact CD1-CG1 4.25Å; L263-I310 HydrophobicContact CD2-CG1 3.95Å; L263-I310 HydrophobicContact CG-CD1 4.28Å; L263-I310 HydrophobicContact CG-CG1 4.06Å; L263-L592 HydrophobicContact CB-CD1 4.41Å; L263-L592 HydrophobicContact CD2-CD1 3.69Å
264L95.1Very high90.2Very high3 Ų330.6 Ų30.62%0.01618%0.181CC..Hα-helixtrans-72.8-21.5-178.8-68.7178.5000114.1R108 W235 L238 W239 L260 Y261 A266 L267R108-L264 PolarHBondContact NH1-O 3.14Å; W235-L264 HydrophobicContact CZ3-CB 4.46Å; L238-L264 HydrophobicContact CD2-CB 4Å; L238-L264 HydrophobicContact CD2-CD1 3.84Å; L238-L264 HydrophobicContact CD2-CG 4.44Å; L238-L264 HydrophobicContact CG-CD1 4.32Å; W239-L264 HydrophobicContact CE3-CD1 4.31Å; W239-L264 HydrophobicContact CH2-CD1 3.89Å; W239-L264 HydrophobicContact CZ3-CD1 3.67Å; L260-L264 HydrophobicContact CD1-CD1 3.91Å; L260-L264 HydrophobicContact CD1-CD2 4.49Å; L260-L264 HydrophobicContact CD1-CG 3.96Å; L260-L264 HydrophobicContact CD2-CD1 4.43Å; L260-L264 HydrophobicContact CG-CD1 3.72Å; L260-L264 HydrophobicContact CG-CG 4.18Å; L260-L264 VanDerWaalsContact O-CB 3.23Å; L260-L264 WeakPolarHBondContact O-CB 3.45Å; L260-L264 WeakPolarHBondContact O-CG 3.35Å; L260-L264 PolarHBondContact O-N 3.06Å; Y261-L264 PolarHBondContact O-N 3.37Å; L264-A266 VanDerWaalsContact C-N 3.31Å; L264-L267 HydrophobicContact CD2-CD1 4.16Å; L264-L267 PolarHBondContact O-N 2.97Å
265S95.8Very high89.5Confident1 Ų131.4 Ų31.41%0.00718%0.183CC..Hα-helixtrans-71.6-30.2172.773.90000111.6T27 A29 Y261 Y262 L263 L267T27-S265 CarbonylContact C-O 3.5Å; T27-S265 VanDerWaalsContact CG2-OG 3.26Å; T27-S265 WeakPolarHBondContact CG2-OG 3.46Å; A29-S265 PolarHBondContact N-O 3.34Å; Y261-S265 VanDerWaalsContact O-CB 3.27Å; Y261-S265 WeakPolarHBondContact O-CB 3.47Å; Y261-S265 PolarHBondContact O-N 3.47Å; Y261-S265 PolarHBondContact O-OG 2.88Å; Y262-S265 PolarHBondContact O-N 3.29Å; Y262-S265 PolarHBondContact O-OG 3.18Å; L263-S265 VanDerWaalsContact C-N 3.32Å; L263-S265 PolarHBondContact O-N 2.93Å; S265-L267 PolarHBondContact O-N 3.41Å
266A95Very high89.2Confident4 Ų435.7 Ų35.73%0.03321%0.206CC..THydrogen-bonded Turntrans-77.60.2175.500000113.2A29 Y262 L263 L264 L280 L585A29-A266 VanDerWaalsContact CB-O 3.27Å; A29-A266 WeakPolarHBondContact CB-O 3.33Å; Y262-A266 PolarHBondContact O-N 3.3Å; L263-A266 PolarHBondContact O-N 2.85Å; L264-A266 VanDerWaalsContact C-N 3.31Å; A266-L280 HydrophobicContact CB-CD2 3.99Å; A266-L585 HydrophobicContact CB-CD1 4.08Å
267L93.3Very high89Confident7 Ų735.9 Ų35.94%0.03721%0.207CC..SBendtrans-111.1143.7178.5-56.8-179.5000111.3A29 L264 S265 L280 I310 A317 I321A29-L267 VanDerWaalsContact CB-C 3.41Å; L264-L267 HydrophobicContact CD2-CD1 4.16Å; L264-L267 PolarHBondContact O-N 2.97Å; S265-L267 PolarHBondContact O-N 3.41Å; L267-L280 HydrophobicContact CD2-CD1 4.17Å; L267-L280 HydrophobicContact CD2-CD2 4.48Å; L267-I310 HydrophobicContact CD1-CB 4.46Å; L267-I310 HydrophobicContact CD1-CD1 4.29Å; L267-I310 HydrophobicContact CD1-CG1 4.03Å; L267-I310 HydrophobicContact CD1-CG2 3.71Å; L267-I310 HydrophobicContact CD2-CD1 4.06Å; L267-I310 HydrophobicContact CD2-CG2 4.46Å; L267-A317 HydrophobicContact CB-CB 4.4Å; L267-A317 HydrophobicContact CD1-CB 3.96Å; L267-A317 HydrophobicContact CD2-CB 4.24Å; L267-A317 HydrophobicContact CG-CB 4.43Å; L267-I321 HydrophobicContact CD2-CD1 4.25Å
268P87.8Confident88.9Confident19 Ų1935.6 Ų35.612%0.12321%0.207CC..PPolyproline II helixtrans-62.9163.7176.632.6-40.6000110.1A29 A272 Y275A29-P268 HydrophobicContact CB-CB 4.42Å; P268-A272 HydrophobicContact CB-CB 4.15Å; P268-Y275 HydrophobicContact CB-CD1 3.72Å; P268-Y275 HydrophobicContact CB-CD2 4.26Å; P268-Y275 HydrophobicContact CB-CE1 3.94Å; P268-Y275 HydrophobicContact CB-CE2 4.48Å; P268-Y275 HydrophobicContact CB-CG 3.86Å; P268-Y275 HydrophobicContact CG-CD1 3.49Å; P268-Y275 VanDerWaalsContact CG-CD1 3.49Å; P268-Y275 HydrophobicContact CG-CE1 3.49Å; P268-Y275 VanDerWaalsContact CG-CE1 3.49Å; P268-Y275 HydrophobicContact CG-CG 4.17Å
269Q84.4Confident88.8Confident67 Ų6735.9 Ų35.931%0.31321%0.21SC..PPolyproline II helixtrans-57.2137.2165.1-173.6179.9600109.6T109 K271 A272T109-Q269 VanDerWaalsContact CA-OE1 3.26Å; Q269-K271 PolarHBondContact O-N 3.24Å; Q269-A272 VanDerWaalsContact O-CB 3.24Å; Q269-A272 WeakPolarHBondContact O-CB 3.41Å; Q269-A272 PolarHBondContact O-N 2.98Å
270P76.8Confident88.8Confident31 Ų3136.2 Ų36.220%0.20121%0.212CC..THydrogen-bonded Turntrans-48.5130.2172.2-31.136.8000111.6L238 A272 E316L238-P270 HydrophobicContact CD1-CG 4.45Å; P270-A272 VanDerWaalsContact C-N 3.28Å; P270-A272 PolarHBondContact O-N 3.04Å; P270-E316 HydrophobicContact CB-CG 4.38Å; P270-E316 WeakPolarHBondContact CB-OE1 3.25Å; P270-E316 WeakPolarHBondContact CG-OE1 3.45Å
271K75.1Confident88.8Confident197 Ų19736.1 Ų36.186%0.85721%0.211SC*.THydrogen-bonded Turntrans65.420.7-178.2-47.1174.1-177.3173.40115.3Q269 P273Q269-K271 PolarHBondContact O-N 3.24Å; K271-P273 WeakPolarHBondContact O-CD 3.45Å; K271-P273 VanDerWaalsContact O-N 3.15Å
272A77Confident88.8Confident29 Ų2936.1 Ų36.124%0.2421%0.211CC..  trans-56.1117.4170.200000109.9P268 Q269 P270P268-A272 HydrophobicContact CB-CB 4.15Å; Q269-A272 VanDerWaalsContact O-CB 3.24Å; Q269-A272 WeakPolarHBondContact O-CB 3.41Å; Q269-A272 PolarHBondContact O-N 2.98Å; P270-A272 VanDerWaalsContact C-N 3.28Å; P270-A272 PolarHBondContact O-N 3.04Å
273P71.9Confident88.8Confident130 Ų13036 Ų3684%0.84421%0.211SC*.THydrogen-bonded Turntrans-71.4140.1-178.628.8-32.9000110.3K271 Y275K271-P273 WeakPolarHBondContact O-CD 3.45Å; K271-P273 VanDerWaalsContact O-N 3.15Å; P273-Y275 PolarHBondContact O-N 2.83Å
274G73.3Confident88.7Confident79 Ų7936 Ų3681%0.81421%0.212SC*.THydrogen-bonded Turntrans73.30.9171.700000116I276G274-I276 PolarHBondContact O-N 3.13Å
275Y81.3Confident88.8Confident45 Ų4536.4 Ų36.418%0.17621%0.213CC..  trans-67.5127.8175.3171.6-102.9000111A29 P268 P273 C277A29-Y275 HydrophobicContact CB-CE2 4.01Å; P268-Y275 HydrophobicContact CB-CD1 3.72Å; P268-Y275 HydrophobicContact CB-CD2 4.26Å; P268-Y275 HydrophobicContact CB-CE1 3.94Å; P268-Y275 HydrophobicContact CB-CE2 4.48Å; P268-Y275 HydrophobicContact CB-CG 3.86Å; P268-Y275 HydrophobicContact CG-CD1 3.49Å; P268-Y275 VanDerWaalsContact CG-CD1 3.49Å; P268-Y275 HydrophobicContact CG-CE1 3.49Å; P268-Y275 VanDerWaalsContact CG-CE1 3.49Å; P268-Y275 HydrophobicContact CG-CG 4.17Å; P273-Y275 PolarHBondContact O-N 2.83Å; Y275-C277 HydrophobicContact CE1-CB 3.66Å
276I89Confident88.9Confident91 Ų9136.4 Ų36.447%0.46721%0.214SC..  trans-107.3119.1173.1-60.7179.4000107.7G274 H278G274-I276 PolarHBondContact O-N 3.13Å; I276-H278 PolarHBondContact O-CD2 3.35Å
277C92.1Very high89Confident6 Ų636.3 Ų36.34%0.04121%0.212CC..  trans-79.2125.6175.7-1750000110.2Y275 G279 A320 R327Y275-C277 HydrophobicContact CE1-CB 3.66Å; C277-G279 VanDerWaalsContact C-N 3.31Å; C277-G279 PolarHBondContact SG-N 3.41Å; C277-G279 VanDerWaalsContact SG-N 3.38Å; C277-A320 HydrophobicContact CB-CB 3.95Å; C277-A320 WeakPolarHBondContact CB-O 3.27Å; C277-R327 PolarHBondContact O-NH2 3.12Å
278H94.5Very high89.1Confident30 Ų3036 Ų3614%0.13921%0.211CC..  trans-99.729.6172.1-64.6-95.5000112G44 I276 V298 Y324 D352G44-H278 VanDerWaalsContact CA-ND1 3.34Å; G44-H278 WeakPolarHBondContact CA-ND1 3.17Å; I276-H278 PolarHBondContact O-CD2 3.35Å; H278-V298 WeakPolarHBondContact O-CG2 3.28Å; H278-Y324 VanDerWaalsContact C-CD2 3.48Å; H278-D352 IonicContact CE1-OD1 3.9Å; H278-D352 PolarHBondContact CE1-OD1 3.31Å; H278-D352 IonicContact ND1-OD1 3.86Å; H278-D352 PolarHBondContact ND1-OD1 3.39Å; H278-D352 VanDerWaalsContact ND1-OD1 3.14Å
279G95.4Very high89.6Confident5 Ų535.5 Ų35.55%0.05221%0.208CC..  trans72.2178.6-177.800000115.4C277C277-G279 VanDerWaalsContact C-N 3.31Å; C277-G279 PolarHBondContact SG-N 3.41Å; C277-G279 VanDerWaalsContact SG-N 3.38Å
280L97.1Very high90.1Very high8 Ų838.5 Ų38.54%0.04222%0.216CC..  trans-117.3118.9-177.2-60.8179.9000110.4A266 L267 Q302 M306 I310 I321A266-L280 HydrophobicContact CB-CD2 3.99Å; L267-L280 HydrophobicContact CD2-CD1 4.17Å; L267-L280 HydrophobicContact CD2-CD2 4.48Å; L280-Q302 HydrophobicContact CB-CB 4.5Å; L280-Q302 HydrophobicContact CB-CG 4.27Å; L280-M306 HydrophobicContact CB-SD 3.73Å; L280-M306 HydrophobicContact CD1-CB 4.37Å; L280-M306 HydrophobicContact CD1-SD 4.01Å; L280-I310 HydrophobicContact CD1-CD1 3.64Å; L280-I321 HydrophobicContact CD1-CD1 3.77Å; L280-I321 HydrophobicContact CD1-CG1 4.49Å; L280-I321 HydrophobicContact CG-CD1 4.39Å
281S97.5Very high90.7Very high1 Ų144.8 Ų44.81%0.00724%0.243CC..  trans-82.3151.7174.6510000111.9R55 G283 G284 G296 H297R55-S281 PolarHBondContact NH2-OG 2.91Å; S281-G283 PolarHBondContact O-N 2.91Å; S281-G284 PolarHBondContact O-N 3.23Å; S281-G284 PolarHBondContact OG-O 3.17Å; S281-G296 WeakPolarHBondContact CB-O 3.28Å; S281-H297 WeakPolarHBondContact CA-O 3.21Å; S281-H297 WeakPolarHBondContact CB-O 3.35Å
282P97.8Very high91.6Very high1 Ų136.8 Ų36.81%0.00621%0.209CC..THydrogen-bonded Turntrans-53.6-38.3176.6-27.434.8000113.7G284 Y294 H297 F299 D301 F584 L585 T586P282-G284 VanDerWaalsContact C-N 3.35Å; P282-Y294 HydrophobicContact CB-CD2 3.89Å; P282-Y294 HydrophobicContact CB-CE2 4.26Å; P282-Y294 HydrophobicContact CG-CD2 4.08Å; P282-H297 WeakPolarHBondContact CD-O 3.47Å; P282-F299 HydrophobicContact CG-CB 4.44Å; P282-F299 HydrophobicContact CG-CD2 3.73Å; P282-F299 HydrophobicContact CG-CE2 4.24Å; P282-F299 HydrophobicContact CG-CG 4.25Å; P282-D301 HydrophobicContact CG-CB 4.19Å; P282-F584 HydrophobicContact CB-CD2 4.06Å; P282-F584 HydrophobicContact CB-CE2 3.76Å; P282-F584 CarbonylContact O-C 3.49Å; P282-F584 WeakPolarHBondContact O-CA 3.39Å; P282-L585 PolarHBondContact O-N 2.77Å; P282-T586 WeakPolarHBondContact CB-OG1 3.44Å
283G96.5Very high92.5Very high0 Ų036.2 Ų36.20%020%0.203CC..THydrogen-bonded Turntrans-84.62.1176.600000115.9S281 N287 V582 N583S281-G283 PolarHBondContact O-N 2.91Å; G283-N287 PolarHBondContact O-ND2 2.99Å; G283-V582 WeakPolarHBondContact CA-O 3.25Å; G283-N583 CarbonylContact C-O 3.55Å; G283-N583 PolarHBondContact O-ND2 3.43Å
284G96.7Very high93.6Very high3 Ų333.2 Ų33.23%0.03118%0.175CC..  trans68.4-176.7-17200000114.2S281 P282S281-G284 PolarHBondContact O-N 3.23Å; S281-G284 PolarHBondContact OG-O 3.17Å; P282-G284 VanDerWaalsContact C-N 3.35Å
285L96.9Very high94.8Very high10 Ų1032.2 Ų32.25%0.05215%0.147CC..THydrogen-bonded Turntrans-75.2-29.2-173.2-178.959.8000114H41 R55 N287H41-L285 HydrophobicContact CB-CD1 4.35Å; H41-L285 WeakPolarHBondContact CB-O 3.18Å; H41-L285 PolarHBondContact ND1-O 3.41Å; R55-L285 VanDerWaalsContact NH1-CD1 3.27Å; L285-N287 PolarHBondContact O-N 3.18Å
286S97.1Very high95.5Very high2 Ų230.1 Ų30.11%0.01414%0.138CC..THydrogen-bonded Turntrans-76.74-176.8-580000114.4V26 G32 T33V26-S286 PolarHBondContact O-OG 2.9Å; G32-S286 WeakPolarHBondContact CA-OG 3.43Å; T33-S286 VanDerWaalsContact C-CB 3.5Å; T33-S286 PolarHBondContact N-OG 2.94Å; T33-S286 VanDerWaalsContact N-OG 3.11Å; T33-S286 PolarHBondContact O-OG 3.43Å
287N97Very high96Very high1 Ų125.8 Ų25.81%0.00512%0.116CC..  trans-136.9172.2176.7-54.6-70.2000108.2R34 R55 G283 L285 E292 C293R34-N287 WeakPolarHBondContact CD-OD1 3.31Å; R34-N287 PolarHBondContact NH1-OD1 2.77Å; R55-N287 WeakPolarHBondContact CD-O 3.27Å; G283-N287 PolarHBondContact O-ND2 2.99Å; L285-N287 PolarHBondContact O-N 3.18Å; N287-E292 HydrophobicContact CB-CG 4.29Å; N287-C293 HydrophobicContact CB-CB 3.84Å
288G96.6Very high96.3Very high0 Ų025.5 Ų25.50%011%0.114CC..  trans118.819175.800000114R55 E292 W295R55-G288 WeakPolarHBondContact CB-O 3.35Å; R55-G288 PolarHBondContact N-O 3.26Å; G288-E292 WeakPolarHBondContact CA-O 3.07Å; G288-E292 PolarHBondContact N-OE2 3.37Å; G288-W295 CarbonylContact O-C 3.47Å; G288-W295 WeakPolarHBondContact O-CA 3.49Å
289S96.6Very high96.5Very high9 Ų924.4 Ų24.46%0.06311%0.109CC..SBendtrans-63.8172.6167.8-36.50000110H41 E291 E292H41-S289 PolarHBondContact CE1-OG 3.25Å; H41-S289 PolarHBondContact NE2-OG 3.37Å; S289-E291 PolarHBondContact O-N 3.32Å; S289-E292 WeakPolarHBondContact CB-OE2 3.44Å; S289-E292 PolarHBondContact N-OE2 3.09Å; S289-E292 WeakPolarHBondContact O-CB 3.14Å; S289-E292 PolarHBondContact O-N 3.48Å; S289-E292 PolarHBondContact OG-OE2 3.27Å
290R94.7Very high96.6Very high130 Ų13024.5 Ų24.549%0.49111%0.108SC..THydrogen-bonded Turntrans-52132.4175.8-167.1174.6-171.5169.39.2111.3D52 H54 E292D52-R290 IonicContact OD1-CZ 3.67Å; D52-R290 IonicContact OD1-NE 3.79Å; D52-R290 IonicContact OD1-NH2 2.72Å; D52-R290 PolarHBondContact OD1-NH2 3.03Å; D52-R290 IonicContact OD2-NH2 2.92Å; H54-R290 PolarHBondContact CD2-N 3.1Å; R290-E292 PolarHBondContact O-N 2.65Å
291E90.7Very high96.7Very high163 Ų16324.6 Ų24.676%0.76211%0.109SC*.THydrogen-bonded Turntrans61.515-178.5-63.4170.8-169.700114.8S289 W295S289-E291 PolarHBondContact O-N 3.32Å; E291-W295 HydrophobicContact CG-CZ2 4.4Å
292E94.3Very high96.7Very high30 Ų3024.6 Ų24.614%0.1411%0.108CC..SBendtrans-119.6129-179.9173.3178.3-132.500111.1R34 N287 G288 S289 R290 Y294 W295R34-E292 IonicContact CZ-OE1 3.44Å; R34-E292 IonicContact NH1-OE1 2.63Å; R34-E292 PolarHBondContact NH1-OE1 2.82Å; R34-E292 IonicContact NH2-OE1 3.22Å; R34-E292 PolarHBondContact NH2-OE1 2.84Å; R34-E292 IonicContact NH2-OE2 3.3Å; N287-E292 HydrophobicContact CB-CG 4.29Å; G288-E292 WeakPolarHBondContact CA-O 3.07Å; G288-E292 PolarHBondContact N-OE2 3.37Å; S289-E292 WeakPolarHBondContact CB-OE2 3.44Å; S289-E292 PolarHBondContact N-OE2 3.09Å; S289-E292 WeakPolarHBondContact O-CB 3.14Å; S289-E292 PolarHBondContact O-N 3.48Å; S289-E292 PolarHBondContact OG-OE2 3.27Å; R290-E292 PolarHBondContact O-N 2.65Å; E292-Y294 VanDerWaalsContact C-N 3.26Å; E292-Y294 PolarHBondContact O-N 3.19Å; E292-Y294 VanDerWaalsContact O-N 3.09Å; E292-W295 PolarHBondContact O-N 2.75Å
293C94.9Very high96.8Very high17 Ų1724.6 Ų24.612%0.11511%0.109CC..G310 helixtrans43.351.7166.7-58.10000113.4N287 W295 A581 V582N287-C293 HydrophobicContact CB-CB 3.84Å; C293-W295 PolarHBondContact O-N 2.84Å; C293-A581 HydrophobicContact CB-CB 4.21Å; C293-V582 PolarHBondContact SG-N 2.82Å; C293-V582 VanDerWaalsContact SG-N 3.41Å
294Y96.3Very high96.8Very high67 Ų6724.7 Ų24.726%0.26311%0.109SC..G310 helixtrans62.435179.3-55.7-74.9000114.9P282 E292 G296 H297 F299 E574 A581 F584P282-Y294 HydrophobicContact CB-CD2 3.89Å; P282-Y294 HydrophobicContact CB-CE2 4.26Å; P282-Y294 HydrophobicContact CG-CD2 4.08Å; E292-Y294 VanDerWaalsContact C-N 3.26Å; E292-Y294 PolarHBondContact O-N 3.19Å; E292-Y294 VanDerWaalsContact O-N 3.09Å; Y294-G296 PolarHBondContact O-N 3.03Å; Y294-H297 WeakPolarHBondContact O-CB 3.48Å; Y294-H297 PolarHBondContact O-N 3.06Å; Y294-F299 HydrophobicContact CD1-CE1 4.38Å; Y294-F299 HydrophobicContact CD1-CE2 4.22Å; Y294-F299 AromaticContact CD1-CZ 3.63Å; Y294-F299 HydrophobicContact CD1-CZ 3.63Å; Y294-F299 HydrophobicContact CE1-CZ 4.44Å; Y294-F299 AromaticContact CG-CE2 3.97Å; Y294-F299 HydrophobicContact CG-CE2 3.97Å; Y294-F299 AromaticContact CG-CZ 3.88Å; Y294-F299 HydrophobicContact CG-CZ 3.88Å; Y294-E574 PolarHBondContact OH-OE1 2.76Å; Y294-E574 PolarHBondContact OH-OE2 3.45Å; Y294-A581 HydrophobicContact CD2-CB 3.93Å; Y294-A581 HydrophobicContact CE2-CB 3.66Å; Y294-F584 HydrophobicContact CE2-CE2 4.31Å
295W97.2Very high96.9Very high58 Ų5824.6 Ų24.622%0.2211%0.108CC..G310 helixtrans55.314.9176.8-62.6-112.3000113.4T53 H54 R55 G288 E291 E292 C293 H297 P359T53-W295 WeakPolarHBondContact O-CB 3.25Å; H54-W295 CarbonylContact C-O 3.54Å; H54-W295 VanDerWaalsContact CA-O 3.3Å; H54-W295 WeakPolarHBondContact CA-O 3.41Å; H54-W295 HydrophobicContact CB-CB 3.81Å; H54-W295 HydrophobicContact CB-CG 4.15Å; R55-W295 PolarHBondContact N-O 3.41Å; G288-W295 CarbonylContact O-C 3.47Å; G288-W295 WeakPolarHBondContact O-CA 3.49Å; E291-W295 HydrophobicContact CG-CZ2 4.4Å; E292-W295 PolarHBondContact O-N 2.75Å; C293-W295 PolarHBondContact O-N 2.84Å; W295-H297 VanDerWaalsContact C-N 3.28Å; W295-H297 PolarHBondContact O-N 2.72Å; W295-P359 HydrophobicContact CH2-CG 4.2Å; W295-P359 HydrophobicContact CZ2-CG 4.4Å; W295-P359 HydrophobicContact CZ3-CG 4.24Å
296G97.1Very high97Very high0 Ų024.1 Ų24.10%011%0.105CC..G310 helixtrans68.521.2-173.400000114.5Y46 R55 S281 Y294Y46-G296 PolarHBondContact OH-O 3.4Å; R55-G296 PolarHBondContact NH2-O 2.92Å; S281-G296 WeakPolarHBondContact CB-O 3.28Å; Y294-G296 PolarHBondContact O-N 3.03Å
297H98.2Very high97Very high0 Ų024 Ų240%011%0.105CC..  trans-71.8159.4176.3-59.2158.2000112.8T53 S281 P282 Y294 W295 F299 E349 S350T53-H297 PolarHBondContact O-CE1 2.89Å; T53-H297 VanDerWaalsContact O-CE1 3.26Å; T53-H297 PolarHBondContact O-NE2 2.88Å; S281-H297 WeakPolarHBondContact CA-O 3.21Å; S281-H297 WeakPolarHBondContact CB-O 3.35Å; P282-H297 WeakPolarHBondContact CD-O 3.47Å; Y294-H297 WeakPolarHBondContact O-CB 3.48Å; Y294-H297 PolarHBondContact O-N 3.06Å; W295-H297 VanDerWaalsContact C-N 3.28Å; W295-H297 PolarHBondContact O-N 2.72Å; H297-F299 HydrophobicContact CB-CD2 4.35Å; H297-F299 HydrophobicContact CB-CE2 3.8Å; H297-E349 HydrophobicContact CB-CB 3.94Å; H297-E349 IonicContact CE1-OE2 2.63Å; H297-E349 IonicContact CG-OE2 3.24Å; H297-E349 IonicContact ND1-OE2 2.97Å; H297-E349 PolarHBondContact ND1-OE2 3.37Å; H297-S350 CarbonylContact C-O 3.46Å; H297-S350 WeakPolarHBondContact CA-O 3.38Å
298V98.5Very high97Very high0 Ų024.3 Ų24.30%011%0.107CC..BIsolated β-bridgetrans-102.2123178.5-177.20000109.2H278 Q302 Y324 S350H278-V298 WeakPolarHBondContact O-CG2 3.28Å; V298-Q302 HydrophobicContact CG1-CB 3.97Å; V298-Q302 HydrophobicContact CG1-CG 4.45Å; V298-Q302 VanDerWaalsContact CG1-OE1 3.31Å; V298-Y324 HydrophobicContact CB-CE1 3.98Å; V298-Y324 HydrophobicContact CG1-CD1 4.43Å; V298-Y324 HydrophobicContact CG1-CE1 3.73Å; V298-Y324 HydrophobicContact CG2-CE1 4.13Å; V298-S350 PolarHBondContact N-O 3.46Å; V298-S350 WeakPolarHBondContact O-CB 3.45Å; V298-S350 PolarHBondContact O-N 3.35Å
299F98.4Very high97Very high8 Ų824.4 Ų24.44%0.03511%0.107CC..  trans-110.1-178.3-177.2-72.1-110.5000110.9P282 Y294 H297 D301 Q302 R325 W348 E349P282-F299 HydrophobicContact CG-CB 4.44Å; P282-F299 HydrophobicContact CG-CD2 3.73Å; P282-F299 HydrophobicContact CG-CE2 4.24Å; P282-F299 HydrophobicContact CG-CG 4.25Å; Y294-F299 HydrophobicContact CD1-CE1 4.38Å; Y294-F299 HydrophobicContact CD1-CE2 4.22Å; Y294-F299 AromaticContact CD1-CZ 3.63Å; Y294-F299 HydrophobicContact CD1-CZ 3.63Å; Y294-F299 HydrophobicContact CE1-CZ 4.44Å; Y294-F299 AromaticContact CG-CE2 3.97Å; Y294-F299 HydrophobicContact CG-CE2 3.97Å; Y294-F299 AromaticContact CG-CZ 3.88Å; Y294-F299 HydrophobicContact CG-CZ 3.88Å; H297-F299 HydrophobicContact CB-CD2 4.35Å; H297-F299 HydrophobicContact CB-CE2 3.8Å; F299-D301 HydrophobicContact CB-CB 4.16Å; F299-D301 WeakPolarHBondContact CB-OD2 3.49Å; F299-D301 PolarHBondContact O-N 3.4Å; F299-D301 VanDerWaalsContact O-N 3.07Å; F299-Q302 PolarHBondContact O-N 3.17Å; F299-R325 PolarHBondContact O-NH2 3.19Å; F299-R325 VanDerWaalsContact O-NH2 3.08Å; F299-W348 HydrophobicContact CD1-CD2 4.42Å; F299-W348 AromaticContact CD1-CE2 3.91Å; F299-W348 HydrophobicContact CD1-CZ2 4.16Å; F299-W348 AromaticContact CD1-NE1 3.95Å; F299-W348 AromaticContact CE1-NE1 3.72Å; F299-E349 HydrophobicContact CD1-CG 4.19Å; F299-E349 HydrophobicContact CE1-CG 3.43Å; F299-E349 VanDerWaalsContact CE1-CG 3.43Å; F299-E349 HydrophobicContact CE2-CG 4Å; F299-E349 HydrophobicContact CZ-CB 4.27Å; F299-E349 HydrophobicContact CZ-CG 3.32Å; F299-E349 WeakPolarHBondContact CZ-OE2 3.32Å
300W98.3Very high97Very high6 Ų624 Ų242%0.02310%0.104CC..Hα-helixtrans-53.4-20.2162.975.7-51.8000112.8Q302 D303 L304 W305 W348 H369 V370 A373 P428 Y440 L504W300-Q302 VanDerWaalsContact C-N 3.26Å; W300-Q302 PolarHBondContact O-N 2.8Å; W300-D303 PolarHBondContact O-N 2.92Å; W300-L304 HydrophobicContact CE3-CB 4.34Å; W300-L304 HydrophobicContact CE3-CD2 3.82Å; W300-L304 HydrophobicContact CH2-CD2 4.09Å; W300-L304 HydrophobicContact CZ3-CD2 3.46Å; W300-L304 VanDerWaalsContact CZ3-CD2 3.46Å; W300-L304 PolarHBondContact O-N 2.83Å; W300-W305 AromaticContact CE2-NE1 3.89Å; W300-W305 HydrophobicContact CH2-CZ2 4.04Å; W300-W305 HydrophobicContact CZ2-CZ2 4.3Å; W300-W305 AromaticContact CZ2-NE1 3.73Å; W300-W348 HydrophobicContact CB-CZ3 4.3Å; W300-W348 AromaticContact CD1-CH2 3.3Å; W300-W348 AromaticContact CD1-CZ3 3.58Å; W300-W348 HydrophobicContact CD2-CH2 4.33Å; W300-W348 HydrophobicContact CD2-CZ3 4.45Å; W300-W348 AromaticContact CE2-CH2 3.99Å; W300-W348 AromaticContact CG-CH2 3.99Å; W300-W348 HydrophobicContact CG-CH2 3.99Å; W300-W348 AromaticContact CG-CZ3 3.89Å; W300-W348 HydrophobicContact CG-CZ3 3.89Å; W300-W348 AromaticContact NE1-CH2 3.36Å; W300-H369 AromaticContact CD2-CE1 3.6Å; W300-H369 AromaticContact CE2-CE1 3.95Å; W300-H369 AromaticContact CE3-CE1 3.42Å; W300-H369 VanDerWaalsContact CE3-CE1 3.42Å; W300-H369 AromaticContact CE3-ND1 3.54Å; W300-H369 AromaticContact CZ3-CE1 3.61Å; W300-H369 AromaticContact CZ3-ND1 3.86Å; W300-V370 HydrophobicContact CB-CB 4.26Å; W300-V370 HydrophobicContact CB-CG2 4.01Å; W300-A373 HydrophobicContact CB-CB 4.06Å; W300-P428 HydrophobicContact CH2-CB 3.77Å; W300-P428 HydrophobicContact CH2-CG 3.75Å; W300-P428 HydrophobicContact CZ2-CB 4.42Å; W300-P428 HydrophobicContact CZ3-CB 4.48Å; W300-P428 HydrophobicContact CZ3-CG 3.95Å; W300-Y440 HydrophobicContact CZ3-CE1 4.26Å; W300-Y440 AromaticContact CZ3-CZ 3.87Å; W300-Y440 VanDerWaalsContact CZ3-OH 3.28Å; W300-Y440 WeakPolarHBondContact CZ3-OH 3.28Å; W300-L504 HydrophobicContact CH2-CD1 4.31Å; W300-L504 HydrophobicContact CZ3-CD1 4.38Å
301D98.6Very high97.2Very high11 Ų1118 Ų186%0.0598%0.082CC..Hα-helixtrans-55.6-39.6179.6-60.3-136.5000114.3P282 F299 D303 W305 M306 T586P282-D301 HydrophobicContact CG-CB 4.19Å; F299-D301 HydrophobicContact CB-CB 4.16Å; F299-D301 WeakPolarHBondContact CB-OD2 3.49Å; F299-D301 PolarHBondContact O-N 3.4Å; F299-D301 VanDerWaalsContact O-N 3.07Å; D301-D303 VanDerWaalsContact C-N 3.27Å; D301-D303 PolarHBondContact O-N 2.94Å; D301-W305 VanDerWaalsContact CA-CD1 3.48Å; D301-W305 WeakPolarHBondContact O-CA 3.44Å; D301-W305 WeakPolarHBondContact O-CB 3.29Å; D301-W305 PolarHBondContact O-N 2.89Å; D301-M306 HydrophobicContact CB-CE 3.99Å; D301-M306 PolarHBondContact O-N 2.91Å; D301-M306 VanDerWaalsContact O-N 3.14Å; D301-T586 HydrophobicContact CB-CG2 4.01Å; D301-T586 WeakPolarHBondContact CB-OG1 2.92Å; D301-T586 VanDerWaalsContact OD1-CB 3.31Å; D301-T586 WeakPolarHBondContact OD1-CB 3.39Å; D301-T586 WeakPolarHBondContact OD1-CG2 3.34Å; D301-T586 PolarHBondContact OD1-OG1 3.31Å
302Q98.5Very high97.4Very high0 Ų010.2 Ų10.20%05%0.046CC..Iπ-helixtrans-54.4-50.2174.6173.9-176.3-89.400110.3L280 V298 F299 W300 F307 I321L280-Q302 HydrophobicContact CB-CB 4.5Å; L280-Q302 HydrophobicContact CB-CG 4.27Å; V298-Q302 HydrophobicContact CG1-CB 3.97Å; V298-Q302 HydrophobicContact CG1-CG 4.45Å; V298-Q302 VanDerWaalsContact CG1-OE1 3.31Å; F299-Q302 PolarHBondContact O-N 3.17Å; W300-Q302 VanDerWaalsContact C-N 3.26Å; W300-Q302 PolarHBondContact O-N 2.8Å; Q302-F307 WeakPolarHBondContact O-CB 3.49Å; Q302-F307 PolarHBondContact O-N 2.97Å; Q302-I321 HydrophobicContact CG-CG2 3.55Å
303D98.6Very high97.3Very high2 Ų29 Ų91%0.0114%0.04CC..Iπ-helixtrans-84.8-30.7-166.5-52.5-58.7000112.1W300 D301 F307 R325 A373 V374 A377W300-D303 PolarHBondContact O-N 2.92Å; D301-D303 VanDerWaalsContact C-N 3.27Å; D301-D303 PolarHBondContact O-N 2.94Å; D303-F307 WeakPolarHBondContact O-CB 3.42Å; D303-R325 IonicContact OD1-NE 2.73Å; D303-R325 IonicContact OD2-CZ 3.08Å; D303-R325 VanDerWaalsContact OD2-CZ 3.32Å; D303-R325 IonicContact OD2-NE 3.05Å; D303-R325 PolarHBondContact OD2-NE 3.21Å; D303-R325 VanDerWaalsContact OD2-NE 3.1Å; D303-R325 IonicContact OD2-NH2 3.92Å; D303-R325 PolarHBondContact OD2-NH2 3.06Å; D303-A373 HydrophobicContact CB-CB 4.37Å; D303-V374 WeakPolarHBondContact OD2-CG2 3.39Å; D303-A377 HydrophobicContact CB-CB 4.01Å
304L98.2Very high97.3Very high2 Ų28.4 Ų8.41%0.014%0.035CC..Iπ-helixtrans-95.7-45.1-179.6-158.883.8000113.3W300 P308 A373 L376 L504 P508 Q593W300-L304 HydrophobicContact CE3-CB 4.34Å; W300-L304 HydrophobicContact CE3-CD2 3.82Å; W300-L304 HydrophobicContact CH2-CD2 4.09Å; W300-L304 HydrophobicContact CZ3-CD2 3.46Å; W300-L304 VanDerWaalsContact CZ3-CD2 3.46Å; W300-L304 PolarHBondContact O-N 2.83Å; L304-P308 WeakPolarHBondContact O-CD 3.41Å; L304-P308 WeakPolarHBondContact O-CG 3.33Å; L304-A373 HydrophobicContact CB-CB 4.5Å; L304-A373 HydrophobicContact CD1-CB 4.44Å; L304-L376 HydrophobicContact CD1-CD2 4.01Å; L304-L504 HydrophobicContact CD2-CD1 4.26Å; L304-P508 HydrophobicContact CD1-CG 3.85Å; L304-P508 HydrophobicContact CD2-CG 4.18Å; L304-P508 HydrophobicContact CG-CG 3.87Å; L304-Q593 PolarHBondContact O-NE2 2.87Å
305W98Very high97.1Very high1 Ų15.8 Ų5.80%0.0043%0.027CC..Iπ-helixtrans-95.1-38.7-167.5-56.6124.4000112.4W300 D301 L504 M536 M540 T586 G589 Q593W300-W305 AromaticContact CE2-NE1 3.89Å; W300-W305 HydrophobicContact CH2-CZ2 4.04Å; W300-W305 HydrophobicContact CZ2-CZ2 4.3Å; W300-W305 AromaticContact CZ2-NE1 3.73Å; D301-W305 VanDerWaalsContact CA-CD1 3.48Å; D301-W305 WeakPolarHBondContact O-CA 3.44Å; D301-W305 WeakPolarHBondContact O-CB 3.29Å; D301-W305 PolarHBondContact O-N 2.89Å; W305-L504 HydrophobicContact CH2-CD2 3.69Å; W305-L504 HydrophobicContact CZ2-CD2 4.47Å; W305-L504 HydrophobicContact CZ3-CD2 4.32Å; W305-M536 HydrophobicContact CD2-CB 4.17Å; W305-M536 HydrophobicContact CD2-CG 3.92Å; W305-M536 HydrophobicContact CE3-CB 3.95Å; W305-M536 HydrophobicContact CE3-CG 4.03Å; W305-M536 HydrophobicContact CH2-CB 4.17Å; W305-M536 HydrophobicContact CH2-CG 3.55Å; W305-M536 HydrophobicContact CZ2-CB 4.42Å; W305-M536 HydrophobicContact CZ2-CG 3.47Å; W305-M536 VanDerWaalsContact CZ2-CG 3.47Å; W305-M536 HydrophobicContact CZ3-CB 3.95Å; W305-M536 HydrophobicContact CZ3-CG 3.84Å; W305-M540 HydrophobicContact CH2-CG 3.7Å; W305-M540 HydrophobicContact CZ3-CE 3.99Å; W305-M540 HydrophobicContact CZ3-CG 3.4Å; W305-M540 HydrophobicContact CZ3-SD 3.78Å; W305-T586 HydrophobicContact CB-CG2 3.65Å; W305-T586 HydrophobicContact CD2-CG2 4.28Å; W305-T586 HydrophobicContact CG-CG2 3.44Å; W305-T586 VanDerWaalsContact CG-CG2 3.44Å; W305-G589 CarbonylContact O-C 3.53Å; W305-G589 VanDerWaalsContact O-C 3.24Å; W305-G589 VanDerWaalsContact O-CA 3.23Å; W305-G589 WeakPolarHBondContact O-CA 3.44Å; W305-Q593 VanDerWaalsContact C-NE2 3.29Å; W305-Q593 VanDerWaalsContact CA-NE2 3.32Å; W305-Q593 PolarHBondContact O-NE2 3.17Å
306M98.3Very high96.9Very high0 Ų06.5 Ų6.50%03%0.032CC..Iπ-helixtrans-95.2-45.6-176.6-59.2178.3-142.600112.3L263 L280 D301 S309 I310 L585L263-M306 HydrophobicContact CD1-CB 3.97Å; L263-M306 HydrophobicContact CD1-CG 4.08Å; L263-M306 HydrophobicContact CD1-SD 4.45Å; L280-M306 HydrophobicContact CB-SD 3.73Å; L280-M306 HydrophobicContact CD1-CB 4.37Å; L280-M306 HydrophobicContact CD1-SD 4.01Å; D301-M306 HydrophobicContact CB-CE 3.99Å; D301-M306 PolarHBondContact O-N 2.91Å; D301-M306 VanDerWaalsContact O-N 3.14Å; M306-S309 PolarHBondContact O-N 2.87Å; M306-I310 HydrophobicContact CB-CD1 4.07Å; M306-I310 WeakPolarHBondContact O-CG1 3.5Å; M306-I310 PolarHBondContact O-N 2.97Å; M306-L585 HydrophobicContact CE-CB 3.77Å; M306-L585 HydrophobicContact CG-CB 4.49Å; M306-L585 HydrophobicContact SD-CB 3.77Å; M306-L585 HydrophobicContact SD-CD1 4.27Å
307F98.4Very high96.8Very high0 Ų06.8 Ų6.80%03%0.034CC..Hα-helixtrans-56.1-44.2-170.8-173.4-92.1000115.3Q302 D303 S309 I310 L311 A318 I321 L322 A377 L380 Y381Q302-F307 WeakPolarHBondContact O-CB 3.49Å; Q302-F307 PolarHBondContact O-N 2.97Å; D303-F307 WeakPolarHBondContact O-CB 3.42Å; F307-S309 PolarHBondContact O-N 2.91Å; F307-I310 PolarHBondContact O-N 2.86Å; F307-I310 VanDerWaalsContact O-N 3.13Å; F307-L311 HydrophobicContact CD1-CB 4.38Å; F307-L311 HydrophobicContact CE1-CB 4.13Å; F307-L311 HydrophobicContact CE1-CD2 3.92Å; F307-L311 WeakPolarHBondContact O-CB 3.16Å; F307-L311 PolarHBondContact O-N 2.95Å; F307-A318 HydrophobicContact CD2-CB 4.39Å; F307-A318 HydrophobicContact CE2-CB 3.71Å; F307-A318 WeakPolarHBondContact CE2-O 3.44Å; F307-A318 HydrophobicContact CZ-CB 3.9Å; F307-I321 HydrophobicContact CD2-CB 4.31Å; F307-I321 HydrophobicContact CD2-CG2 3.87Å; F307-I321 HydrophobicContact CE2-CB 4.4Å; F307-I321 HydrophobicContact CE2-CG2 4.27Å; F307-L322 HydrophobicContact CD2-CD2 4.48Å; F307-L322 HydrophobicContact CE2-CD1 4.38Å; F307-L322 HydrophobicContact CE2-CD2 3.62Å; F307-L322 HydrophobicContact CE2-CG 3.74Å; F307-L322 HydrophobicContact CZ-CD1 4.01Å; F307-L322 HydrophobicContact CZ-CD2 3.77Å; F307-L322 HydrophobicContact CZ-CG 3.86Å; F307-A377 HydrophobicContact CD1-CB 3.67Å; F307-A377 HydrophobicContact CD2-CB 4.3Å; F307-A377 HydrophobicContact CE1-CB 3.72Å; F307-A377 WeakPolarHBondContact CE1-O 3.24Å; F307-A377 HydrophobicContact CE2-CB 4.34Å; F307-A377 HydrophobicContact CG-CB 3.97Å; F307-A377 HydrophobicContact CZ-CB 4.07Å; F307-L380 HydrophobicContact CE1-CB 4.48Å; F307-Y381 HydrophobicContact CZ-CD2 4.3Å
308P97.6Very high96.7Very high7 Ų76.8 Ų6.85%0.0453%0.034CC..Hα-helixtrans-59.6-45.4-175.2-26.936.8000112.7L304 M312 L380 F597L304-P308 WeakPolarHBondContact O-CD 3.41Å; L304-P308 WeakPolarHBondContact O-CG 3.33Å; P308-M312 WeakPolarHBondContact O-CG 3.29Å; P308-M312 PolarHBondContact O-N 3.3Å; P308-L380 HydrophobicContact CG-CD1 4.35Å; P308-F597 HydrophobicContact CB-CE2 3.85Å; P308-F597 HydrophobicContact CB-CZ 3.81Å
309S96.2Very high96.6Very high1 Ų19.9 Ų9.91%0.0075%0.046CC..Hα-helixtrans-66-40.6176.8-660000111.5M306 F307 M312 F313M306-S309 PolarHBondContact O-N 2.87Å; F307-S309 PolarHBondContact O-N 2.91Å; S309-M312 PolarHBondContact O-N 2.78Å; S309-F313 WeakPolarHBondContact O-CD2 3.39Å; S309-F313 PolarHBondContact O-N 3.1Å
310I96.9Very high96.4Very high2 Ų210.1 Ų10.11%0.015%0.05CC..Hα-helixtrans-61.3-49177.5-63.2168.8000110.7L263 L267 L280 M306 F307 M312 F313 H314 A317 A318 I321L263-I310 HydrophobicContact CD1-CD1 3.95Å; L263-I310 HydrophobicContact CD1-CG1 4.25Å; L263-I310 HydrophobicContact CD2-CG1 3.95Å; L263-I310 HydrophobicContact CG-CD1 4.28Å; L263-I310 HydrophobicContact CG-CG1 4.06Å; L267-I310 HydrophobicContact CD1-CB 4.46Å; L267-I310 HydrophobicContact CD1-CD1 4.29Å; L267-I310 HydrophobicContact CD1-CG1 4.03Å; L267-I310 HydrophobicContact CD1-CG2 3.71Å; L267-I310 HydrophobicContact CD2-CD1 4.06Å; L267-I310 HydrophobicContact CD2-CG2 4.46Å; L280-I310 HydrophobicContact CD1-CD1 3.64Å; M306-I310 HydrophobicContact CB-CD1 4.07Å; M306-I310 WeakPolarHBondContact O-CG1 3.5Å; M306-I310 PolarHBondContact O-N 2.97Å; F307-I310 PolarHBondContact O-N 2.86Å; F307-I310 VanDerWaalsContact O-N 3.13Å; I310-M312 PolarHBondContact O-N 3.01Å; I310-F313 PolarHBondContact O-N 3.27Å; I310-F313 VanDerWaalsContact O-N 3.09Å; I310-H314 CarbonylContact O-C 3.53Å; I310-H314 WeakPolarHBondContact O-CA 3.47Å; I310-H314 PolarHBondContact O-N 2.72Å; I310-A317 HydrophobicContact CG2-CB 4.03Å; I310-A318 HydrophobicContact CG2-CB 4.32Å; I310-I321 HydrophobicContact CD1-CD1 3.69Å; I310-I321 HydrophobicContact CG2-CD1 4.2Å
311L97Very high96.3Very high2 Ų29.9 Ų9.91%0.015%0.049CC..Hα-helixtrans-54.7-41.4179.6172.760.8000112.2F307 F313 A318 L380 Y381 T384 T385F307-L311 HydrophobicContact CD1-CB 4.38Å; F307-L311 HydrophobicContact CE1-CB 4.13Å; F307-L311 HydrophobicContact CE1-CD2 3.92Å; F307-L311 WeakPolarHBondContact O-CB 3.16Å; F307-L311 PolarHBondContact O-N 2.95Å; L311-F313 VanDerWaalsContact C-N 3.28Å; L311-F313 PolarHBondContact O-N 3.11Å; L311-A318 HydrophobicContact CB-CB 4.06Å; L311-A318 HydrophobicContact CD1-CB 3.98Å; L311-L380 HydrophobicContact CD2-CB 3.74Å; L311-L380 WeakPolarHBondContact CD2-O 3.27Å; L311-Y381 HydrophobicContact CD1-CD2 3.74Å; L311-Y381 HydrophobicContact CD1-CE2 4.38Å; L311-T384 HydrophobicContact CD1-CG2 3.96Å; L311-T384 HydrophobicContact CG-CG2 4.1Å; L311-T385 HydrophobicContact CD1-CG2 4.34Å
312M95.3Very high96.3Very high1 Ų19.4 Ų9.41%0.0055%0.046CC..Hα-helixtrans-67.5-26.5-177.9-70.1-57.4-80.300113.1P308 S309 I310 F597 F602 V604 V609 I627 F628P308-M312 WeakPolarHBondContact O-CG 3.29Å; P308-M312 PolarHBondContact O-N 3.3Å; S309-M312 PolarHBondContact O-N 2.78Å; I310-M312 PolarHBondContact O-N 3.01Å; M312-F597 HydrophobicContact CG-CE1 3.84Å; M312-F597 HydrophobicContact CG-CZ 3.58Å; M312-F597 HydrophobicContact SD-CE1 4.44Å; M312-F602 HydrophobicContact CE-CD2 4.3Å; M312-V604 HydrophobicContact SD-CG2 3.86Å; M312-V609 HydrophobicContact CE-CG1 4.37Å; M312-I627 HydrophobicContact CB-CD1 4.03Å; M312-I627 HydrophobicContact CE-CD1 4.18Å; M312-I627 HydrophobicContact CE-CG2 3.46Å; M312-I627 VanDerWaalsContact CE-CG2 3.46Å; M312-I627 CarbonylContact O-C 3.57Å; M312-I627 VanDerWaalsContact O-CA 3.31Å; M312-I627 WeakPolarHBondContact O-CA 3.2Å; M312-F628 PolarHBondContact O-N 3.3Å
313F93.7Very high96.3Very high4 Ų412.2 Ų12.22%0.0186%0.059CC..Hα-helixtrans-105.3-37.5-179.4-62-63.2000113.5C242 L260 S309 I310 L311 V596 V624 S625 I627C242-F313 HydrophobicContact CB-CB 3.87Å; C242-F313 HydrophobicContact CB-CD1 3.71Å; C242-F313 HydrophobicContact CB-CG 3.97Å; L260-F313 HydrophobicContact CD1-CE2 4.4Å; S309-F313 WeakPolarHBondContact O-CD2 3.39Å; S309-F313 PolarHBondContact O-N 3.1Å; I310-F313 PolarHBondContact O-N 3.27Å; I310-F313 VanDerWaalsContact O-N 3.09Å; L311-F313 VanDerWaalsContact C-N 3.28Å; L311-F313 PolarHBondContact O-N 3.11Å; F313-V596 HydrophobicContact CE2-CG2 4.48Å; F313-V596 HydrophobicContact CZ-CG2 4.37Å; F313-V624 HydrophobicContact CE1-CG1 3.69Å; F313-V624 HydrophobicContact CZ-CG1 3.73Å; F313-S625 WeakPolarHBondContact CE1-O 3.27Å; F313-I627 HydrophobicContact CD1-CD1 4.24Å; F313-I627 HydrophobicContact CE1-CD1 3.77Å; F313-I627 HydrophobicContact CZ-CD1 4.24Å
314H93Very high96.2Very high5 Ų512.1 Ų12.12%0.0236%0.059CC..  trans-136.974.6-168.3-68.5-68.3000111L238 C242 I310 E316 A317 A318L238-H314 VanDerWaalsContact CD1-CE1 3.45Å; L238-H314 WeakPolarHBondContact CD1-CE1 3.43Å; L238-H314 WeakPolarHBondContact CD1-NE2 3.34Å; C242-H314 PolarHBondContact SG-NE2 3.42Å; I310-H314 CarbonylContact O-C 3.53Å; I310-H314 WeakPolarHBondContact O-CA 3.47Å; I310-H314 PolarHBondContact O-N 2.72Å; H314-E316 IonicContact CG-OE1 3.03Å; H314-E316 IonicContact ND1-OE1 2.67Å; H314-E316 PolarHBondContact ND1-OE1 3.11Å; H314-E316 PolarHBondContact O-N 3.05Å; H314-A317 HydrophobicContact CB-CB 3.85Å; H314-A317 PolarHBondContact O-N 3.13Å; H314-A318 PolarHBondContact O-N 3.32Å
315P93.9Very high96.2Very high12 Ų1212 Ų128%0.0786%0.059CC..Hα-helixtrans-59.4-28178.528.2-39.1000112.8R319 Y381 T385 F628P315-R319 WeakPolarHBondContact O-CB 3.19Å; P315-R319 PolarHBondContact O-N 3.25Å; P315-Y381 WeakPolarHBondContact O-CE2 3.39Å; P315-T385 HydrophobicContact CB-CG2 3.9Å; P315-F628 HydrophobicContact CB-CD1 3.85Å; P315-F628 HydrophobicContact CB-CE1 3.93Å; P315-F628 HydrophobicContact CB-CG 4.26Å; P315-F628 HydrophobicContact CB-CZ 4.37Å; P315-F628 HydrophobicContact CG-CB 4.22Å; P315-F628 HydrophobicContact CG-CD1 3.68Å; P315-F628 HydrophobicContact CG-CD2 3.72Å; P315-F628 HydrophobicContact CG-CE1 3.87Å; P315-F628 HydrophobicContact CG-CE2 3.87Å; P315-F628 HydrophobicContact CG-CG 3.59Å; P315-F628 HydrophobicContact CG-CZ 3.94Å
316E92.8Very high96.3Very high73 Ų7313.2 Ų13.234%0.3416%0.064SC..Hα-helixtrans-65.8-39.8174.268.2-73.7177.800112.5P270 H314 R319 A320P270-E316 HydrophobicContact CB-CG 4.38Å; P270-E316 WeakPolarHBondContact CB-OE1 3.25Å; P270-E316 WeakPolarHBondContact CG-OE1 3.45Å; H314-E316 IonicContact CG-OE1 3.03Å; H314-E316 IonicContact ND1-OE1 2.67Å; H314-E316 PolarHBondContact ND1-OE1 3.11Å; H314-E316 PolarHBondContact O-N 3.05Å; E316-R319 WeakPolarHBondContact O-CB 3.38Å; E316-R319 PolarHBondContact O-N 3.07Å; E316-A320 PolarHBondContact O-N 3.49Å; E316-A320 VanDerWaalsContact O-N 3.14Å
317A94.1Very high96.2Very high5 Ų518.3 Ų18.34%0.0418%0.084CC..Hα-helixtrans-73.1-39.8176.600000110.6L267 I310 H314 R319 A320 I321L267-A317 HydrophobicContact CB-CB 4.4Å; L267-A317 HydrophobicContact CD1-CB 3.96Å; L267-A317 HydrophobicContact CD2-CB 4.24Å; L267-A317 HydrophobicContact CG-CB 4.43Å; I310-A317 HydrophobicContact CG2-CB 4.03Å; H314-A317 HydrophobicContact CB-CB 3.85Å; H314-A317 PolarHBondContact O-N 3.13Å; A317-R319 VanDerWaalsContact C-N 3.29Å; A317-R319 PolarHBondContact O-N 3.19Å; A317-A320 PolarHBondContact O-N 3.21Å; A317-I321 WeakPolarHBondContact O-CG1 3.44Å; A317-I321 PolarHBondContact O-N 3.09Å
318A96.1Very high96.2Very high0 Ų018.3 Ų18.30%08%0.084CC..Hα-helixtrans-58.6-41.5171.400000111.6F307 I310 L311 H314 A320 I321 L322 Y381F307-A318 HydrophobicContact CD2-CB 4.39Å; F307-A318 HydrophobicContact CE2-CB 3.71Å; F307-A318 WeakPolarHBondContact CE2-O 3.44Å; F307-A318 HydrophobicContact CZ-CB 3.9Å; I310-A318 HydrophobicContact CG2-CB 4.32Å; L311-A318 HydrophobicContact CB-CB 4.06Å; L311-A318 HydrophobicContact CD1-CB 3.98Å; H314-A318 PolarHBondContact O-N 3.32Å; A318-A320 VanDerWaalsContact C-N 3.35Å; A318-A320 PolarHBondContact O-N 3.25Å; A318-I321 WeakPolarHBondContact O-CB 3.08Å; A318-I321 PolarHBondContact O-N 3.42Å; A318-L322 WeakPolarHBondContact O-CG 3.1Å; A318-L322 PolarHBondContact O-N 3.2Å; A318-Y381 HydrophobicContact CB-CD2 4.2Å; A318-Y381 HydrophobicContact CB-CE2 4.38Å
319R96.1Very high96.3Very high65 Ų6519 Ų1925%0.2459%0.087CC..Hα-helixtrans-59.1-45.5174.7-166.2-179.8164.2-70.2-12.4111.7P315 E316 A317 I321 L322 E323 Y381 D387 L390P315-R319 WeakPolarHBondContact O-CB 3.19Å; P315-R319 PolarHBondContact O-N 3.25Å; E316-R319 WeakPolarHBondContact O-CB 3.38Å; E316-R319 PolarHBondContact O-N 3.07Å; A317-R319 VanDerWaalsContact C-N 3.29Å; A317-R319 PolarHBondContact O-N 3.19Å; R319-I321 VanDerWaalsContact C-N 3.3Å; R319-I321 PolarHBondContact O-N 3.01Å; R319-L322 PolarHBondContact O-N 3.32Å; R319-L322 VanDerWaalsContact O-N 3.14Å; R319-E323 IonicContact CZ-OE1 3.09Å; R319-E323 IonicContact CZ-OE2 3.9Å; R319-E323 IonicContact NH1-OE1 2.7Å; R319-E323 PolarHBondContact NH1-OE1 3.34Å; R319-E323 IonicContact NH1-OE2 3.78Å; R319-E323 PolarHBondContact NH1-OE2 3.01Å; R319-E323 IonicContact NH2-OE1 3.57Å; R319-E323 PolarHBondContact NH2-OE1 3.44Å; R319-E323 WeakPolarHBondContact O-CG 3.49Å; R319-E323 PolarHBondContact O-N 3.42Å; R319-Y381 HydrophobicContact CB-CE2 3.85Å; R319-Y381 WeakPolarHBondContact CB-OH 3.42Å; R319-Y381 WeakPolarHBondContact CD-OH 3.42Å; R319-Y381 HydrophobicContact CG-CE2 4.43Å; R319-Y381 WeakPolarHBondContact CG-OH 3.36Å; R319-D387 IonicContact NE-OD2 3.83Å; R319-D387 PolarHBondContact NE-OD2 3.28Å; R319-L390 HydrophobicContact CG-CD1 3.94Å
320A94.7Very high96.4Very high14 Ų1424.8 Ų24.812%0.11612%0.118CC..Hα-helixtrans-62.7-36.8178.300000112.4C277 E316 A317 A318 E323 Y324C277-A320 HydrophobicContact CB-CB 3.95Å; C277-A320 WeakPolarHBondContact CB-O 3.27Å; E316-A320 PolarHBondContact O-N 3.49Å; E316-A320 VanDerWaalsContact O-N 3.14Å; A317-A320 PolarHBondContact O-N 3.21Å; A318-A320 VanDerWaalsContact C-N 3.35Å; A318-A320 PolarHBondContact O-N 3.25Å; A320-E323 PolarHBondContact O-N 2.73Å; A320-Y324 PolarHBondContact O-N 2.97Å; A320-Y324 VanDerWaalsContact O-N 3.17Å
321I97Very high96.4Very high1 Ų124.9 Ų24.91%0.00512%0.119CC..Hα-helixtrans-63.3-41.7173.1-69.5167.4000111.1L267 L280 Q302 F307 I310 A317 A318 R319 Y324L267-I321 HydrophobicContact CD2-CD1 4.25Å; L280-I321 HydrophobicContact CD1-CD1 3.77Å; L280-I321 HydrophobicContact CD1-CG1 4.49Å; L280-I321 HydrophobicContact CG-CD1 4.39Å; Q302-I321 HydrophobicContact CG-CG2 3.55Å; F307-I321 HydrophobicContact CD2-CB 4.31Å; F307-I321 HydrophobicContact CD2-CG2 3.87Å; F307-I321 HydrophobicContact CE2-CB 4.4Å; F307-I321 HydrophobicContact CE2-CG2 4.27Å; I310-I321 HydrophobicContact CD1-CD1 3.69Å; I310-I321 HydrophobicContact CG2-CD1 4.2Å; A317-I321 WeakPolarHBondContact O-CG1 3.44Å; A317-I321 PolarHBondContact O-N 3.09Å; A318-I321 WeakPolarHBondContact O-CB 3.08Å; A318-I321 PolarHBondContact O-N 3.42Å; R319-I321 VanDerWaalsContact C-N 3.3Å; R319-I321 PolarHBondContact O-N 3.01Å; I321-Y324 WeakPolarHBondContact O-CB 3.25Å; I321-Y324 PolarHBondContact O-N 3.18Å
322L98.2Very high96.5Very high0 Ų024.8 Ų24.80%012%0.119CC..Hα-helixtrans-67.6-36.5174.8-63.4-174.2000112.2F307 A318 R319 Y324 R325 I326 A377 F378 Y381 L390F307-L322 HydrophobicContact CD2-CD2 4.48Å; F307-L322 HydrophobicContact CE2-CD1 4.38Å; F307-L322 HydrophobicContact CE2-CD2 3.62Å; F307-L322 HydrophobicContact CE2-CG 3.74Å; F307-L322 HydrophobicContact CZ-CD1 4.01Å; F307-L322 HydrophobicContact CZ-CD2 3.77Å; F307-L322 HydrophobicContact CZ-CG 3.86Å; A318-L322 WeakPolarHBondContact O-CG 3.1Å; A318-L322 PolarHBondContact O-N 3.2Å; R319-L322 PolarHBondContact O-N 3.32Å; R319-L322 VanDerWaalsContact O-N 3.14Å; L322-Y324 PolarHBondContact O-N 3.06Å; L322-R325 WeakPolarHBondContact O-CA 3.19Å; L322-R325 WeakPolarHBondContact O-CB 3.41Å; L322-R325 PolarHBondContact O-N 3.32Å; L322-I326 WeakPolarHBondContact O-CG1 3.5Å; L322-I326 PolarHBondContact O-N 3.27Å; L322-A377 HydrophobicContact CD2-CB 3.94Å; L322-F378 HydrophobicContact CB-CE1 3.99Å; L322-F378 HydrophobicContact CB-CE2 4.4Å; L322-F378 HydrophobicContact CB-CZ 3.86Å; L322-F378 HydrophobicContact CD1-CD1 3.89Å; L322-F378 HydrophobicContact CD1-CE1 4.08Å; L322-F378 HydrophobicContact CD1-CG 4.2Å; L322-F378 HydrophobicContact CD2-CD2 3.89Å; L322-F378 HydrophobicContact CD2-CE1 4.5Å; L322-F378 HydrophobicContact CD2-CE2 3.85Å; L322-F378 HydrophobicContact CD2-CG 4.23Å; L322-F378 HydrophobicContact CD2-CZ 4.17Å; L322-F378 HydrophobicContact CG-CE1 4.41Å; L322-F378 HydrophobicContact CG-CZ 4.39Å; L322-Y381 HydrophobicContact CD1-CD1 3.85Å; L322-Y381 HydrophobicContact CD1-CD2 3.91Å; L322-Y381 HydrophobicContact CD1-CG 3.47Å; L322-Y381 VanDerWaalsContact CD1-CG 3.47Å; L322-L390 HydrophobicContact CB-CD2 4.38Å; L322-L390 HydrophobicContact CD1-CD2 3.75Å
323E97.2Very high96.7Very high59 Ų5927.7 Ų27.728%0.27613%0.134SC..Hα-helixtrans-62.8-27.2175.3-74.9178.9137.900113.1R319 A320 I326 R327 L390R319-E323 IonicContact CZ-OE1 3.09Å; R319-E323 IonicContact CZ-OE2 3.9Å; R319-E323 IonicContact NH1-OE1 2.7Å; R319-E323 PolarHBondContact NH1-OE1 3.34Å; R319-E323 IonicContact NH1-OE2 3.78Å; R319-E323 PolarHBondContact NH1-OE2 3.01Å; R319-E323 IonicContact NH2-OE1 3.57Å; R319-E323 PolarHBondContact NH2-OE1 3.44Å; R319-E323 WeakPolarHBondContact O-CG 3.49Å; R319-E323 PolarHBondContact O-N 3.42Å; A320-E323 PolarHBondContact O-N 2.73Å; E323-I326 HydrophobicContact CG-CD1 4.48Å; E323-I326 PolarHBondContact O-N 3.5Å; E323-R327 WeakPolarHBondContact O-CB 3.13Å; E323-R327 PolarHBondContact O-N 2.83Å; E323-L390 HydrophobicContact CG-CD1 4.19Å
324Y97.8Very high96.9Very high1 Ų131.2 Ų31.20%0.00415%0.15CC..Hα-helixtrans-60.6-48.9167.8168.1-101.7000111.2H278 V298 A320 I321 L322 I326 R327 T328 S350 A351H278-Y324 VanDerWaalsContact C-CD2 3.48Å; V298-Y324 HydrophobicContact CB-CE1 3.98Å; V298-Y324 HydrophobicContact CG1-CD1 4.43Å; V298-Y324 HydrophobicContact CG1-CE1 3.73Å; V298-Y324 HydrophobicContact CG2-CE1 4.13Å; A320-Y324 PolarHBondContact O-N 2.97Å; A320-Y324 VanDerWaalsContact O-N 3.17Å; I321-Y324 WeakPolarHBondContact O-CB 3.25Å; I321-Y324 PolarHBondContact O-N 3.18Å; L322-Y324 PolarHBondContact O-N 3.06Å; Y324-I326 VanDerWaalsContact C-N 3.28Å; Y324-I326 PolarHBondContact O-N 3.42Å; Y324-R327 PolarHBondContact O-N 3.4Å; Y324-T328 HydrophobicContact CD2-CG2 4.13Å; Y324-T328 HydrophobicContact CE1-CG2 4.49Å; Y324-T328 HydrophobicContact CE2-CG2 3.7Å; Y324-T328 WeakPolarHBondContact O-CB 3.33Å; Y324-T328 WeakPolarHBondContact O-CG2 3.3Å; Y324-T328 PolarHBondContact O-N 3.4Å; Y324-T328 PolarHBondContact O-OG1 2.65Å; Y324-S350 VanDerWaalsContact OH-CB 3.24Å; Y324-S350 WeakPolarHBondContact OH-CB 3.35Å; Y324-S350 PolarHBondContact OH-OG 2.89Å; Y324-A351 PolarHBondContact OH-O 3.01Å
325R98.5Very high97.2Very high0 Ų031.5 Ų31.50%015%0.152CC..Hα-helixtrans-63.5-33.1176.4-66.1-62.8-170.9-1724.4112.4F299 D303 L322 T328 L329 F346 V374 F378F299-R325 PolarHBondContact O-NH2 3.19Å; F299-R325 VanDerWaalsContact O-NH2 3.08Å; D303-R325 IonicContact OD1-NE 2.73Å; D303-R325 IonicContact OD2-CZ 3.08Å; D303-R325 VanDerWaalsContact OD2-CZ 3.32Å; D303-R325 IonicContact OD2-NE 3.05Å; D303-R325 PolarHBondContact OD2-NE 3.21Å; D303-R325 VanDerWaalsContact OD2-NE 3.1Å; D303-R325 IonicContact OD2-NH2 3.92Å; D303-R325 PolarHBondContact OD2-NH2 3.06Å; L322-R325 WeakPolarHBondContact O-CA 3.19Å; L322-R325 WeakPolarHBondContact O-CB 3.41Å; L322-R325 PolarHBondContact O-N 3.32Å; R325-T328 WeakPolarHBondContact CA-OG1 3.1Å; R325-T328 PolarHBondContact O-OG1 3.38Å; R325-L329 PolarHBondContact O-N 3.22Å; R325-F346 HydrophobicContact CB-CE1 4.05Å; R325-F346 HydrophobicContact CB-CZ 4.2Å; R325-F346 WeakPolarHBondContact O-CE1 3.43Å; R325-V374 HydrophobicContact CB-CG1 4.28Å; R325-V374 HydrophobicContact CG-CG1 4.11Å; R325-V374 HydrophobicContact CG-CG2 4.3Å; R325-F378 HydrophobicContact CB-CE2 4.15Å; R325-F378 HydrophobicContact CB-CZ 4.44Å
326I98.6Very high97.4Very high25 Ų2531 Ų3113%0.12815%0.149CC..Hα-helixtrans-68.5-45.8174.3-59.9166.7000111.2L322 E323 Y324 T328 L329 F378 L390 A394 V399L322-I326 WeakPolarHBondContact O-CG1 3.5Å; L322-I326 PolarHBondContact O-N 3.27Å; E323-I326 HydrophobicContact CG-CD1 4.48Å; E323-I326 PolarHBondContact O-N 3.5Å; Y324-I326 VanDerWaalsContact C-N 3.28Å; Y324-I326 PolarHBondContact O-N 3.42Å; I326-T328 VanDerWaalsContact C-N 3.26Å; I326-T328 PolarHBondContact O-N 3.49Å; I326-L329 WeakPolarHBondContact O-CB 2.81Å; I326-L329 PolarHBondContact O-N 2.74Å; I326-F378 HydrophobicContact CD1-CE1 4.2Å; I326-F378 HydrophobicContact CD1-CZ 4.33Å; I326-F378 HydrophobicContact CG1-CE1 4.19Å; I326-F378 HydrophobicContact CG1-CZ 3.87Å; I326-L390 HydrophobicContact CD1-CD1 3.76Å; I326-L390 HydrophobicContact CD1-CG 4.35Å; I326-A394 WeakPolarHBondContact CG2-O 3.47Å; I326-V399 HydrophobicContact CB-CG2 4.28Å; I326-V399 HydrophobicContact CG1-CG2 3.83Å
327R97.9Very high97.7Very high108 Ų10834.3 Ų34.341%0.40816%0.164SC..Hα-helixtrans-66.1-29.7179.9-176.4166.160.8-98.5-4.1113C277 E323 Y324 L329C277-R327 PolarHBondContact O-NH2 3.12Å; E323-R327 WeakPolarHBondContact O-CB 3.13Å; E323-R327 PolarHBondContact O-N 2.83Å; Y324-R327 PolarHBondContact O-N 3.4Å; R327-L329 VanDerWaalsContact C-N 3.33Å
328T98.3Very high97.8Very high0 Ų039.5 Ų39.50%019%0.191CC..THydrogen-bonded Turntrans-90.37.6178.550.90000113.6Y324 R325 I326 D330 G331 A332Y324-T328 HydrophobicContact CD2-CG2 4.13Å; Y324-T328 HydrophobicContact CE1-CG2 4.49Å; Y324-T328 HydrophobicContact CE2-CG2 3.7Å; Y324-T328 WeakPolarHBondContact O-CB 3.33Å; Y324-T328 WeakPolarHBondContact O-CG2 3.3Å; Y324-T328 PolarHBondContact O-N 3.4Å; Y324-T328 PolarHBondContact O-OG1 2.65Å; R325-T328 WeakPolarHBondContact CA-OG1 3.1Å; R325-T328 PolarHBondContact O-OG1 3.38Å; I326-T328 VanDerWaalsContact C-N 3.26Å; I326-T328 PolarHBondContact O-N 3.49Å; T328-D330 VanDerWaalsContact C-N 3.3Å; T328-D330 PolarHBondContact O-N 3.16Å; T328-G331 PolarHBondContact O-N 3.15Å; T328-A332 PolarHBondContact O-N 2.79Å
329L98.8Very high97.9Very high20 Ų2042.5 Ų42.511%0.10521%0.207CC..Hα-helixtrans-60.1-38.7-179.6178.859.3000112.2R325 I326 R327 G331 A332 L333 A344 F346 D398 V399 A402R325-L329 PolarHBondContact O-N 3.22Å; I326-L329 WeakPolarHBondContact O-CB 2.81Å; I326-L329 PolarHBondContact O-N 2.74Å; R327-L329 VanDerWaalsContact C-N 3.33Å; L329-G331 PolarHBondContact O-N 3.02Å; L329-A332 CarbonylContact O-C 3.56Å; L329-A332 WeakPolarHBondContact O-CA 3.22Å; L329-A332 WeakPolarHBondContact O-CB 2.93Å; L329-A332 PolarHBondContact O-N 2.63Å; L329-A332 VanDerWaalsContact O-N 3.08Å; L329-L333 HydrophobicContact CD1-CD2 4.49Å; L329-L333 HydrophobicContact CD1-CG 4.31Å; L329-L333 HydrophobicContact CG-CD1 4.35Å; L329-L333 HydrophobicContact CG-CG 4.34Å; L329-L333 WeakPolarHBondContact O-CG 3.09Å; L329-L333 PolarHBondContact O-N 3.5Å; L329-A344 HydrophobicContact CD1-CB 3.67Å; L329-F346 HydrophobicContact CD1-CZ 4.4Å; L329-D398 HydrophobicContact CD2-CB 3.88Å; L329-V399 HydrophobicContact CB-CG2 4.46Å; L329-V399 HydrophobicContact CD1-CG2 4.32Å; L329-V399 HydrophobicContact CD2-CG2 4.14Å; L329-A402 HydrophobicContact CD1-CB 4.06Å
330D98.3Very high98Very high124 Ų12442.6 Ų42.666%0.66323%0.229SC*.Hα-helixtrans-61.5-43.4-180-73.2-17.7000111.7T328 A332 L333 E334T328-D330 VanDerWaalsContact C-N 3.3Å; T328-D330 PolarHBondContact O-N 3.16Å; D330-A332 VanDerWaalsContact C-N 3.3Å; D330-A332 PolarHBondContact O-N 2.97Å; D330-L333 PolarHBondContact O-N 3.35Å; D330-E334 PolarHBondContact O-N 2.85Å
331G98.1Very high98.1Very high4 Ų445.4 Ų45.44%0.04124%0.237CC..Hα-helixtrans-61.3-38.7172.800000112.3T328 L329 E334 N335 G354T328-G331 PolarHBondContact O-N 3.15Å; L329-G331 PolarHBondContact O-N 3.02Å; G331-E334 PolarHBondContact O-N 3.39Å; G331-N335 PolarHBondContact O-N 3.36Å; G331-N335 PolarHBondContact O-ND2 3.01Å; G331-N335 PolarHBondContact O-OD1 3.27Å; G331-G354 CarbonylContact C-O 3.44Å
332A98.8Very high98.2Very high0 Ų052.1 Ų52.10%027%0.268CS..Hα-helixtrans-67.1-35.6176.200000113.4T328 L329 D330 A336 A344 K345 F346T328-A332 PolarHBondContact O-N 2.79Å; L329-A332 CarbonylContact O-C 3.56Å; L329-A332 WeakPolarHBondContact O-CA 3.22Å; L329-A332 WeakPolarHBondContact O-CB 2.93Å; L329-A332 PolarHBondContact O-N 2.63Å; L329-A332 VanDerWaalsContact O-N 3.08Å; D330-A332 VanDerWaalsContact C-N 3.3Å; D330-A332 PolarHBondContact O-N 2.97Å; A332-A336 PolarHBondContact O-N 3.07Å; A332-A344 HydrophobicContact CB-CB 3.97Å; A332-K345 VanDerWaalsContact CA-O 3.27Å; A332-K345 WeakPolarHBondContact CA-O 2.97Å; A332-K345 CarbonylContact O-C 3.59Å; A332-K345 PolarHBondContact O-N 3.5Å; A332-K345 VanDerWaalsContact O-O 3.1Å; A332-F346 HydrophobicContact CB-CB 4.49Å; A332-F346 HydrophobicContact CB-CD1 3.75Å; A332-F346 HydrophobicContact CB-CD2 4.34Å; A332-F346 HydrophobicContact CB-CE1 3.94Å; A332-F346 HydrophobicContact CB-CG 3.97Å; A332-F346 HydrophobicContact CB-CZ 4.32Å
333L98.9Very high98.2Very high62 Ų6252.6 Ų52.633%0.32527%0.273SS..Hα-helixtrans-65.2-44.2173.6-66.9173.6000110.7L329 D330 A336 Q337 G343 A344 A402L329-L333 HydrophobicContact CD1-CD2 4.49Å; L329-L333 HydrophobicContact CD1-CG 4.31Å; L329-L333 HydrophobicContact CG-CD1 4.35Å; L329-L333 HydrophobicContact CG-CG 4.34Å; L329-L333 WeakPolarHBondContact O-CG 3.09Å; L329-L333 PolarHBondContact O-N 3.5Å; D330-L333 PolarHBondContact O-N 3.35Å; L333-A336 PolarHBondContact O-N 2.93Å; L333-Q337 PolarHBondContact O-N 3.29Å; L333-G343 VanDerWaalsContact CD2-O 3.29Å; L333-G343 WeakPolarHBondContact CD2-O 3.44Å; L333-A344 HydrophobicContact CD2-CB 4.04Å; L333-A402 HydrophobicContact CD2-CB 4.08Å
334E98.2Very high98.3Very high77 Ų7749.8 Ų49.836%0.3626%0.26SS..Hα-helixtrans-64.2-42.5177.9-173.8172.7159.200111.9D330 G331 A336 Q337 N338 L355D330-E334 PolarHBondContact O-N 2.85Å; G331-E334 PolarHBondContact O-N 3.39Å; E334-A336 VanDerWaalsContact C-N 3.32Å; E334-A336 PolarHBondContact O-N 3.38Å; E334-Q337 PolarHBondContact O-N 2.99Å; E334-N338 WeakPolarHBondContact O-CB 3.37Å; E334-N338 VanDerWaalsContact O-CG 3.26Å; E334-N338 PolarHBondContact O-N 3.01Å; E334-N338 PolarHBondContact O-ND2 2.97Å; E334-L355 HydrophobicContact CB-CD2 3.89Å; E334-L355 HydrophobicContact CG-CD2 3.97Å
335N98.3Very high98.4Very high12 Ų1249.9 Ų49.96%0.06426%0.26CS..Hα-helixtrans-56.8-44.4174.6-68-24.9000112.1G331 L339 K345 G354 E356G331-N335 PolarHBondContact O-N 3.36Å; G331-N335 PolarHBondContact O-ND2 3.01Å; G331-N335 PolarHBondContact O-OD1 3.27Å; N335-L339 WeakPolarHBondContact O-CG 3.09Å; N335-L339 PolarHBondContact O-N 3.49Å; N335-K345 HydrophobicContact CB-CD 3.99Å; N335-K345 VanDerWaalsContact CB-O 3.24Å; N335-K345 WeakPolarHBondContact CB-O 3.29Å; N335-K345 PolarHBondContact ND2-O 2.78Å; N335-G354 PolarHBondContact ND2-O 2.78Å; N335-G354 VanDerWaalsContact ND2-O 3.09Å; N335-E356 PolarHBondContact ND2-N 3.46Å; N335-E356 PolarHBondContact OD1-N 3.26Å
336A98.7Very high98.4Very high0 Ų050 Ų500%026%0.261CS..Hα-helixtrans-64.6-44176.700000111.6A332 L333 E334 N338 L339 G340 Y341 G343 K345 F406A332-A336 PolarHBondContact O-N 3.07Å; L333-A336 PolarHBondContact O-N 2.93Å; E334-A336 VanDerWaalsContact C-N 3.32Å; E334-A336 PolarHBondContact O-N 3.38Å; A336-N338 PolarHBondContact O-N 3.21Å; A336-L339 CarbonylContact O-C 3.54Å; A336-L339 PolarHBondContact O-N 2.85Å; A336-L339 VanDerWaalsContact O-N 3.16Å; A336-G340 PolarHBondContact O-N 3.14Å; A336-Y341 PolarHBondContact O-N 2.92Å; A336-G343 VanDerWaalsContact CB-O 3.26Å; A336-G343 WeakPolarHBondContact CB-O 3.26Å; A336-K345 HydrophobicContact CB-CB 3.86Å; A336-F406 HydrophobicContact CB-CD2 4.15Å
337Q98.5Very high98.4Very high143 Ų14348.8 Ų48.867%0.66826%0.255SS*.Hα-helixtrans-60.8-43.1178.4-176.9178.512.800112L333 E334 L339 G340L333-Q337 PolarHBondContact O-N 3.29Å; E334-Q337 PolarHBondContact O-N 2.99Å; Q337-L339 PolarHBondContact O-N 3.18Å; Q337-G340 PolarHBondContact O-N 2.94Å
338N97.1Very high98.4Very high114 Ų11444 Ų4461%0.6124%0.237SC*.Hα-helixtrans-62.2-26.8178.3-73.4-21.9000112.5E334 A336E334-N338 WeakPolarHBondContact O-CB 3.37Å; E334-N338 VanDerWaalsContact O-CG 3.26Å; E334-N338 PolarHBondContact O-N 3.01Å; E334-N338 PolarHBondContact O-ND2 2.97Å; A336-N338 PolarHBondContact O-N 3.21Å
339L97.4Very high98.4Very high63 Ų6344.6 Ų44.633%0.3324%0.239SC..THydrogen-bonded Turntrans-91.81.8173.9-61.7178000113.7N335 A336 Q337 Y341 K345 V365N335-L339 WeakPolarHBondContact O-CG 3.09Å; N335-L339 PolarHBondContact O-N 3.49Å; A336-L339 CarbonylContact O-C 3.54Å; A336-L339 PolarHBondContact O-N 2.85Å; A336-L339 VanDerWaalsContact O-N 3.16Å; Q337-L339 PolarHBondContact O-N 3.18Å; L339-Y341 HydrophobicContact CB-CD2 3.65Å; L339-Y341 HydrophobicContact CB-CE2 3.88Å; L339-Y341 WeakPolarHBondContact O-CE2 3.05Å; L339-K345 HydrophobicContact CD1-CD 4.13Å; L339-V365 HydrophobicContact CD2-CG1 4.17Å; L339-V365 HydrophobicContact CD2-CG2 4.05Å
340G98.1Very high98.4Very high68 Ų6843.7 Ų43.770%0.70123%0.234SC*.THydrogen-bonded Turntrans79.717.2179.200000115.1A336 Q337A336-G340 PolarHBondContact O-N 3.14Å; Q337-G340 PolarHBondContact O-N 2.94Å
341Y98.4Very high98.3Very high72 Ų7237.8 Ų37.828%0.28220%0.203SC..  trans-102.7167.5178.4-61.6-62.8000112.2A336 L339 F406 R410A336-Y341 PolarHBondContact O-N 2.92Å; L339-Y341 HydrophobicContact CB-CD2 3.65Å; L339-Y341 HydrophobicContact CB-CE2 3.88Å; L339-Y341 WeakPolarHBondContact O-CE2 3.05Å; Y341-F406 HydrophobicContact CD2-CE2 4.01Å; Y341-F406 HydrophobicContact CG-CE2 4.09Å; Y341-R410 HydrophobicContact CD1-CB 4.32Å; Y341-R410 HydrophobicContact CE1-CB 4.43Å; Y341-R410 HydrophobicContact CE1-CG 4.4Å; Y341-R410 VanDerWaalsContact CE2-CD 3.49Å; Y341-R410 WeakPolarHBondContact OH-CD 3.31Å; Y341-R410 PolarHBondContact OH-NE 2.85Å
342Q98.5Very high98.2Very high142 Ų14239.9 Ų39.966%0.66421%0.213SC*.SBendtrans-97.6172.3171.9-60.7-173-15.900110.3F406 S409Q342-F406 WeakPolarHBondContact O-CA 3.44Å; Q342-F406 WeakPolarHBondContact O-CB 3.42Å; Q342-S409 PolarHBondContact N-OG 2.82Å; Q342-S409 VanDerWaalsContact N-OG 3.08Å; Q342-S409 PolarHBondContact O-OG 2.94Å
343G98.7Very high98Very high10 Ų1041.7 Ų41.710%0.10323%0.226CC..SBendtrans69.2-153.6176.400000113L333 A336 A402L333-G343 VanDerWaalsContact CD2-O 3.29Å; L333-G343 WeakPolarHBondContact CD2-O 3.44Å; A336-G343 VanDerWaalsContact CB-O 3.26Å; A336-G343 WeakPolarHBondContact CB-O 3.26Å; G343-A402 CarbonylContact C-O 3.53Å; G343-A402 WeakPolarHBondContact CA-O 3.47Å
344A98.8Very high98Very high0 Ų038.8 Ų38.80%021%0.211CC..  trans-112.1129.8-175.800000112.1L329 A332 L333 A402 V403 F406L329-A344 HydrophobicContact CD1-CB 3.67Å; A332-A344 HydrophobicContact CB-CB 3.97Å; L333-A344 HydrophobicContact CD2-CB 4.04Å; A344-A402 HydrophobicContact CB-CB 3.58Å; A344-A402 PolarHBondContact N-O 3.4Å; A344-V403 HydrophobicContact CB-CG2 4.42Å; A344-F406 VanDerWaalsContact O-CB 3.23Å; A344-F406 WeakPolarHBondContact O-CB 3.47Å; A344-F406 WeakPolarHBondContact O-CG 3.19Å
345K98.7Very high97.9Very high4 Ų435.8 Ų35.82%0.01720%0.197CC..  trans-115.4101.4165.4-177.9-103.8168-1620107.8A332 N335 A336 L339 E356 G364 N371 F406A332-K345 VanDerWaalsContact CA-O 3.27Å; A332-K345 WeakPolarHBondContact CA-O 2.97Å; A332-K345 CarbonylContact O-C 3.59Å; A332-K345 PolarHBondContact O-N 3.5Å; A332-K345 VanDerWaalsContact O-O 3.1Å; N335-K345 HydrophobicContact CB-CD 3.99Å; N335-K345 VanDerWaalsContact CB-O 3.24Å; N335-K345 WeakPolarHBondContact CB-O 3.29Å; N335-K345 PolarHBondContact ND2-O 2.78Å; A336-K345 HydrophobicContact CB-CB 3.86Å; L339-K345 HydrophobicContact CD1-CD 4.13Å; K345-E356 IonicContact NZ-OE2 2.9Å; K345-E356 PolarHBondContact NZ-OE2 2.89Å; K345-G364 WeakPolarHBondContact CE-O 3.34Å; K345-G364 PolarHBondContact NZ-O 2.91Å; K345-N371 WeakPolarHBondContact CA-OD1 3.45Å; K345-F406 HydrophobicContact CB-CD2 3.95Å; K345-F406 HydrophobicContact CB-CE2 3.71Å; K345-F406 HydrophobicContact CB-CZ 4.14Å; K345-F406 HydrophobicContact CG-CE2 4.04Å; K345-F406 HydrophobicContact CG-CZ 4.03Å
346F98.8Very high97.9Very high1 Ų137.3 Ų37.30%0.00420%0.204CC..  trans-58.6145.4173.9-76.6-80.6000110.2R325 L329 A332 V370 N371 V374 V399 V403R325-F346 HydrophobicContact CB-CE1 4.05Å; R325-F346 HydrophobicContact CB-CZ 4.2Å; R325-F346 WeakPolarHBondContact O-CE1 3.43Å; L329-F346 HydrophobicContact CD1-CZ 4.4Å; A332-F346 HydrophobicContact CB-CB 4.49Å; A332-F346 HydrophobicContact CB-CD1 3.75Å; A332-F346 HydrophobicContact CB-CD2 4.34Å; A332-F346 HydrophobicContact CB-CE1 3.94Å; A332-F346 HydrophobicContact CB-CG 3.97Å; A332-F346 HydrophobicContact CB-CZ 4.32Å; F346-V370 HydrophobicContact CB-CG1 4.35Å; F346-V370 HydrophobicContact CB-CG2 4.39Å; F346-V370 WeakPolarHBondContact O-CG1 3.42Å; F346-N371 PolarHBondContact N-OD1 3.1Å; F346-V374 HydrophobicContact CD2-CB 4.3Å; F346-V374 HydrophobicContact CD2-CG1 4.14Å; F346-V374 HydrophobicContact CD2-CG2 4.11Å; F346-V374 HydrophobicContact CE2-CB 4.44Å; F346-V374 HydrophobicContact CE2-CG1 3.8Å; F346-V374 HydrophobicContact CG-CG2 4.21Å; F346-V374 HydrophobicContact CZ-CG1 4.2Å; F346-V399 HydrophobicContact CE2-CG1 3.85Å; F346-V399 HydrophobicContact CZ-CG1 3.8Å; F346-V399 HydrophobicContact CZ-CG2 4.45Å; F346-V403 HydrophobicContact CD2-CG2 4.15Å; F346-V403 HydrophobicContact CE2-CG2 3.86Å
347A98.7Very high97.8Very high0 Ų037.4 Ų37.40%020%0.204CC..  trans-60.2143174.500000110.6E349 E356A347-E349 WeakPolarHBondContact CB-O 3.27Å; A347-E356 WeakPolarHBondContact CA-OE2 3.47Å; A347-E356 HydrophobicContact CB-CB 4.41Å
348W98.6Very high97.8Very high9 Ų931 Ų313%0.03418%0.175CC..SBendtrans-64.5-47.8168.9178.2-116.9000109.4F299 W300 E356 E367 H369 V370F299-W348 HydrophobicContact CD1-CD2 4.42Å; F299-W348 AromaticContact CD1-CE2 3.91Å; F299-W348 HydrophobicContact CD1-CZ2 4.16Å; F299-W348 AromaticContact CD1-NE1 3.95Å; F299-W348 AromaticContact CE1-NE1 3.72Å; W300-W348 HydrophobicContact CB-CZ3 4.3Å; W300-W348 AromaticContact CD1-CH2 3.3Å; W300-W348 AromaticContact CD1-CZ3 3.58Å; W300-W348 HydrophobicContact CD2-CH2 4.33Å; W300-W348 HydrophobicContact CD2-CZ3 4.45Å; W300-W348 AromaticContact CE2-CH2 3.99Å; W300-W348 AromaticContact CG-CH2 3.99Å; W300-W348 HydrophobicContact CG-CH2 3.99Å; W300-W348 AromaticContact CG-CZ3 3.89Å; W300-W348 HydrophobicContact CG-CZ3 3.89Å; W300-W348 AromaticContact NE1-CH2 3.36Å; W348-E356 PolarHBondContact N-OE1 2.99Å; W348-E356 PolarHBondContact N-OE2 3.2Å; W348-E367 HydrophobicContact CD2-CB 3.88Å; W348-E367 HydrophobicContact CE3-CB 3.53Å; W348-E367 HydrophobicContact CE3-CG 4.48Å; W348-E367 HydrophobicContact CH2-CB 4.28Å; W348-E367 WeakPolarHBondContact CH2-OE2 3.34Å; W348-E367 VanDerWaalsContact CZ2-CD 3.42Å; W348-E367 WeakPolarHBondContact CZ2-OE1 3.45Å; W348-E367 WeakPolarHBondContact CZ2-OE2 3.27Å; W348-E367 HydrophobicContact CZ3-CB 3.76Å; W348-E367 HydrophobicContact CZ3-CG 4.47Å; W348-E367 WeakPolarHBondContact CZ3-OE2 3.44Å; W348-H369 AromaticContact CH2-CE1 3.92Å; W348-H369 AromaticContact CZ3-CE1 3.66Å; W348-H369 AromaticContact CZ3-NE2 3.89Å; W348-V370 HydrophobicContact CE3-CB 4.2Å; W348-V370 HydrophobicContact CZ3-CB 4.46Å
349E98.3Very high97.6Very high12 Ų1228.2 Ų28.26%0.05616%0.164CC..SBendtrans-114.4114.8169.5-55.2-164-144.800109.2H297 F299 A347 E356 V357 C358 P359H297-E349 HydrophobicContact CB-CB 3.94Å; H297-E349 IonicContact CE1-OE2 2.63Å; H297-E349 IonicContact CG-OE2 3.24Å; H297-E349 IonicContact ND1-OE2 2.97Å; H297-E349 PolarHBondContact ND1-OE2 3.37Å; F299-E349 HydrophobicContact CD1-CG 4.19Å; F299-E349 HydrophobicContact CE1-CG 3.43Å; F299-E349 VanDerWaalsContact CE1-CG 3.43Å; F299-E349 HydrophobicContact CE2-CG 4Å; F299-E349 HydrophobicContact CZ-CB 4.27Å; F299-E349 HydrophobicContact CZ-CG 3.32Å; F299-E349 WeakPolarHBondContact CZ-OE2 3.32Å; A347-E349 WeakPolarHBondContact CB-O 3.27Å; E349-E356 PolarHBondContact N-OE1 2.99Å; E349-V357 HydrophobicContact CB-CG2 4.23Å; E349-V357 WeakPolarHBondContact O-CG2 3.33Å; E349-V357 PolarHBondContact O-N 3.07Å; E349-V357 VanDerWaalsContact O-N 3.13Å; E349-C358 HydrophobicContact CB-CB 3.99Å; E349-C358 HydrophobicContact CG-CB 3.73Å; E349-C358 PolarHBondContact OE1-SG 3.25Å; E349-P359 WeakPolarHBondContact OE1-CD 3.41Å
350S98.3Very high97.5Very high0 Ų030.5 Ų30.50%017%0.173CC..BIsolated β-bridgetrans-111.1136.8-178.1-171.40000111.2H297 V298 Y324H297-S350 CarbonylContact C-O 3.46Å; H297-S350 WeakPolarHBondContact CA-O 3.38Å; V298-S350 PolarHBondContact N-O 3.46Å; V298-S350 WeakPolarHBondContact O-CB 3.45Å; V298-S350 PolarHBondContact O-N 3.35Å; Y324-S350 VanDerWaalsContact OH-CB 3.24Å; Y324-S350 WeakPolarHBondContact OH-CB 3.35Å; Y324-S350 PolarHBondContact OH-OG 2.89Å
351A97.1Very high97.2Very high0 Ų033.6 Ų33.60%017%0.173CC..  trans-108.2-121.7171.600000110.8Y46 T53 Y324 V357Y46-A351 HydrophobicContact CD1-CB 3.85Å; Y46-A351 HydrophobicContact CD2-CB 4.32Å; Y46-A351 HydrophobicContact CE1-CB 4Å; Y46-A351 HydrophobicContact CE2-CB 4.44Å; Y46-A351 HydrophobicContact CG-CB 4.05Å; T53-A351 HydrophobicContact CG2-CB 3.73Å; Y324-A351 PolarHBondContact OH-O 3.01Å; A351-V357 HydrophobicContact CB-CG1 4.48Å; A351-V357 HydrophobicContact CB-CG2 3.99Å
352D94.9Very high97.1Very high48 Ų4833.1 Ų33.126%0.25718%0.175SC..SBendtrans-85.4-41.4-176-172.253000112Y46 E167 H278Y46-D352 HydrophobicContact CD2-CB 4.32Å; E167-D352 PolarHBondContact OE2-N 2.97Å; H278-D352 IonicContact CE1-OD1 3.9Å; H278-D352 PolarHBondContact CE1-OD1 3.31Å; H278-D352 IonicContact ND1-OD1 3.86Å; H278-D352 PolarHBondContact ND1-OD1 3.39Å; H278-D352 VanDerWaalsContact ND1-OD1 3.14Å
353S95.8Very high97Very high39 Ų3929.1 Ų29.127%0.27315%0.154SC..SBendtrans-82.7-22.9-171.379.80000115.1E167 L355E167-S353 WeakPolarHBondContact OE1-CB 3.4Å; E167-S353 PolarHBondContact OE1-N 3.43Å; E167-S353 PolarHBondContact OE1-OG 3.45Å; E167-S353 PolarHBondContact OE2-N 3.29Å; E167-S353 VanDerWaalsContact OE2-N 3.16Å; S353-L355 VanDerWaalsContact C-N 3.35Å; S353-L355 VanDerWaalsContact OG-CB 3.25Å; S353-L355 WeakPolarHBondContact OG-CB 3.43Å; S353-L355 WeakPolarHBondContact OG-CD1 3.35Å; S353-L355 VanDerWaalsContact OG-CG 3.26Å; S353-L355 WeakPolarHBondContact OG-CG 3.25Å; S353-L355 PolarHBondContact OG-N 2.6Å; S353-L355 VanDerWaalsContact OG-N 3.09Å
354G97.4Very high96.9Very high0 Ų028.8 Ų28.80%015%0.15CC..  trans88.6-2.6-170.100000115.2G331 N335G331-G354 CarbonylContact C-O 3.44Å; N335-G354 PolarHBondContact ND2-O 2.78Å; N335-G354 VanDerWaalsContact ND2-O 3.09Å
355L97.3Very high96.9Very high14 Ų1431.8 Ų31.87%0.07317%0.169CC..SBendtrans-73.6154.6175.1-65.7152.3000109.9Q168 E334 S353 V357Q168-L355 HydrophobicContact CG-CD1 3.88Å; E334-L355 HydrophobicContact CB-CD2 3.89Å; E334-L355 HydrophobicContact CG-CD2 3.97Å; S353-L355 VanDerWaalsContact C-N 3.35Å; S353-L355 VanDerWaalsContact OG-CB 3.25Å; S353-L355 WeakPolarHBondContact OG-CB 3.43Å; S353-L355 WeakPolarHBondContact OG-CD1 3.35Å; S353-L355 VanDerWaalsContact OG-CG 3.26Å; S353-L355 WeakPolarHBondContact OG-CG 3.25Å; S353-L355 PolarHBondContact OG-N 2.6Å; S353-L355 VanDerWaalsContact OG-N 3.09Å; L355-V357 PolarHBondContact O-N 2.9Å
356E97.9Very high96.8Very high44 Ų4433.6 Ų33.621%0.20618%0.177CC..BIsolated β-bridgetrans-64.7117.5176.5-172.463.4-10000110.6N335 K345 A347 W348 E349 C358 G364N335-E356 PolarHBondContact ND2-N 3.46Å; N335-E356 PolarHBondContact OD1-N 3.26Å; K345-E356 IonicContact NZ-OE2 2.9Å; K345-E356 PolarHBondContact NZ-OE2 2.89Å; A347-E356 WeakPolarHBondContact CA-OE2 3.47Å; A347-E356 HydrophobicContact CB-CB 4.41Å; W348-E356 PolarHBondContact N-OE1 2.99Å; W348-E356 PolarHBondContact N-OE2 3.2Å; E349-E356 PolarHBondContact N-OE1 2.99Å; E356-C358 HydrophobicContact CG-CB 4.2Å; E356-C358 WeakPolarHBondContact OE1-CB 3.32Å; E356-C358 PolarHBondContact OE1-N 2.94Å; E356-C358 VanDerWaalsContact OE1-N 3.11Å; E356-G364 WeakPolarHBondContact OE2-CA 3.16Å
357V97.3Very high96.8Very high2 Ų233.6 Ų33.61%0.01218%0.177CC..  trans-116.311.4174.1-63.50000112.1G50 G51 T53 E167 E349 A351 L355 P359G50-V357 WeakPolarHBondContact O-CB 3.48Å; G51-V357 WeakPolarHBondContact CA-O 3.48Å; T53-V357 HydrophobicContact CG2-CG1 4.37Å; E167-V357 HydrophobicContact CG-CG1 3.91Å; E349-V357 HydrophobicContact CB-CG2 4.23Å; E349-V357 WeakPolarHBondContact O-CG2 3.33Å; E349-V357 PolarHBondContact O-N 3.07Å; E349-V357 VanDerWaalsContact O-N 3.13Å; A351-V357 HydrophobicContact CB-CG1 4.48Å; A351-V357 HydrophobicContact CB-CG2 3.99Å; L355-V357 PolarHBondContact O-N 2.9Å; V357-P359 WeakPolarHBondContact O-CD 3.32Å
358C96.9Very high96.8Very high9 Ų933.6 Ų33.66%0.06118%0.177CC..  trans-59.3127.5172.8-174.30000110.1E349 E356 E360E349-C358 HydrophobicContact CB-CB 3.99Å; E349-C358 HydrophobicContact CG-CB 3.73Å; E349-C358 PolarHBondContact OE1-SG 3.25Å; E356-C358 HydrophobicContact CG-CB 4.2Å; E356-C358 WeakPolarHBondContact OE1-CB 3.32Å; E356-C358 PolarHBondContact OE1-N 2.94Å; E356-C358 VanDerWaalsContact OE1-N 3.11Å; C358-E360 PolarHBondContact O-N 3.34Å; C358-E360 PolarHBondContact SG-O 3.07Å
359P93.9Very high96.8Very high56 Ų5633.2 Ų33.236%0.36418%0.176SC..SBendtrans-63.3-26.5178.4-20.330.1000113.8G51 W295 E349 V357G51-P359 WeakPolarHBondContact O-CG 3.23Å; W295-P359 HydrophobicContact CH2-CG 4.2Å; W295-P359 HydrophobicContact CZ2-CG 4.4Å; W295-P359 HydrophobicContact CZ3-CG 4.24Å; E349-P359 WeakPolarHBondContact OE1-CD 3.41Å; V357-P359 WeakPolarHBondContact O-CD 3.32Å
360E94.4Very high96.8Very high111 Ų11132.6 Ų32.652%0.51917%0.173SC..SBendtrans-114.2112.2-175.7-67.3-173.2-123.500111.2C358 I362 Y363 G364C358-E360 PolarHBondContact O-N 3.34Å; C358-E360 PolarHBondContact SG-O 3.07Å; E360-I362 HydrophobicContact CB-CG2 4.46Å; E360-I362 PolarHBondContact O-N 3.28Å; E360-Y363 HydrophobicContact CB-CD2 3.7Å; E360-Y363 HydrophobicContact CB-CE2 3.98Å; E360-Y363 HydrophobicContact CG-CE2 4.43Å; E360-Y363 PolarHBondContact O-N 2.8Å; E360-G364 PolarHBondContact O-N 3.46Å
361D92.8Very high96.8Very high133 Ų13332.6 Ų32.671%0.71117%0.173SC*.Hα-helixtrans-53.5-29.9-177.9-73-17.3000113.7Y363 G364 V365D361-Y363 PolarHBondContact O-N 3.28Å; D361-G364 PolarHBondContact O-N 2.81Å; D361-V365 WeakPolarHBondContact O-CB 3.13Å; D361-V365 WeakPolarHBondContact O-CG2 3.3Å; D361-V365 PolarHBondContact O-N 3.11Å
362I96.3Very high96.9Very high62 Ų6232.6 Ų32.632%0.31817%0.173SC..Hα-helixtrans-61.4-45.2-175.7-166.4171.1000111.7E360 Q366 M426E360-I362 HydrophobicContact CB-CG2 4.46Å; E360-I362 PolarHBondContact O-N 3.28Å; I362-Q366 VanDerWaalsContact O-CB 3.25Å; I362-Q366 WeakPolarHBondContact O-CB 2.95Å; I362-Q366 WeakPolarHBondContact O-CG 3.36Å; I362-Q366 PolarHBondContact O-N 3.28Å; I362-Q366 VanDerWaalsContact O-N 3.07Å; I362-M426 HydrophobicContact CD1-CE 4.11Å; I362-M426 HydrophobicContact CG1-CE 3.98Å
363Y97.1Very high97.1Very high58 Ų5830.3 Ų30.323%0.22716%0.161CC..Hα-helixtrans-71.2-51.4178.4-54.3-60.8000109.8E360 D361 V365 Q366 E367 M426 E430E360-Y363 HydrophobicContact CB-CD2 3.7Å; E360-Y363 HydrophobicContact CB-CE2 3.98Å; E360-Y363 HydrophobicContact CG-CE2 4.43Å; E360-Y363 PolarHBondContact O-N 2.8Å; D361-Y363 PolarHBondContact O-N 3.28Å; Y363-V365 VanDerWaalsContact C-N 3.27Å; Y363-V365 PolarHBondContact O-N 3.37Å; Y363-Q366 PolarHBondContact O-N 3.24Å; Y363-E367 WeakPolarHBondContact CD1-OE1 3.08Å; Y363-E367 WeakPolarHBondContact O-CB 3.49Å; Y363-E367 PolarHBondContact O-N 3.33Å; Y363-M426 HydrophobicContact CD1-CE 3.96Å; Y363-M426 HydrophobicContact CD1-SD 3.49Å; Y363-M426 WeakPolarHBondContact CD1-SD 3.44Å; Y363-M426 HydrophobicContact CE1-CE 3.96Å; Y363-M426 HydrophobicContact CE1-SD 3.8Å; Y363-E430 HydrophobicContact CD1-CG 4.43Å; Y363-E430 HydrophobicContact CE1-CB 4.21Å; Y363-E430 HydrophobicContact CE1-CG 4.18Å
364G96.5Very high97.2Very high2 Ų228.5 Ų28.52%0.02115%0.148CC..Hα-helixtrans-53.4-40.417800000113.2K345 E356 E360 D361K345-G364 WeakPolarHBondContact CE-O 3.34Å; K345-G364 PolarHBondContact NZ-O 2.91Å; E356-G364 WeakPolarHBondContact OE2-CA 3.16Å; E360-G364 PolarHBondContact O-N 3.46Å; D361-G364 PolarHBondContact O-N 2.81Å
365V97.4Very high97.3Very high64 Ų6428.5 Ų28.539%0.38815%0.148SC..Hα-helixtrans-83.2-39.2-177.9175.50000112.6L339 D361 Y363L339-V365 HydrophobicContact CD2-CG1 4.17Å; L339-V365 HydrophobicContact CD2-CG2 4.05Å; D361-V365 WeakPolarHBondContact O-CB 3.13Å; D361-V365 WeakPolarHBondContact O-CG2 3.3Å; D361-V365 PolarHBondContact O-N 3.11Å; Y363-V365 VanDerWaalsContact C-N 3.27Å; Y363-V365 PolarHBondContact O-N 3.37Å
366Q98.1Very high97.4Very high41 Ų4128.2 Ų28.219%0.19215%0.146CC..Hα-helixtrans-100.9-25-165.5-58.6-171.525.400114.8I362 Y363 V368 M426I362-Q366 VanDerWaalsContact O-CB 3.25Å; I362-Q366 WeakPolarHBondContact O-CB 2.95Å; I362-Q366 WeakPolarHBondContact O-CG 3.36Å; I362-Q366 PolarHBondContact O-N 3.28Å; I362-Q366 VanDerWaalsContact O-N 3.07Å; Y363-Q366 PolarHBondContact O-N 3.24Å; Q366-V368 PolarHBondContact O-N 3.34Å; Q366-M426 HydrophobicContact CB-CB 3.77Å; Q366-M426 PolarHBondContact O-N 2.93Å
367E98.1Very high97.4Very high1 Ų126.1 Ų26.11%0.00514%0.137CC..  trans-80.957.6178.7-67.5-161.5-117.500112W348 Y363 H369 M426 E430W348-E367 HydrophobicContact CD2-CB 3.88Å; W348-E367 HydrophobicContact CE3-CB 3.53Å; W348-E367 HydrophobicContact CE3-CG 4.48Å; W348-E367 HydrophobicContact CH2-CB 4.28Å; W348-E367 WeakPolarHBondContact CH2-OE2 3.34Å; W348-E367 VanDerWaalsContact CZ2-CD 3.42Å; W348-E367 WeakPolarHBondContact CZ2-OE1 3.45Å; W348-E367 WeakPolarHBondContact CZ2-OE2 3.27Å; W348-E367 HydrophobicContact CZ3-CB 3.76Å; W348-E367 HydrophobicContact CZ3-CG 4.47Å; W348-E367 WeakPolarHBondContact CZ3-OE2 3.44Å; Y363-E367 WeakPolarHBondContact CD1-OE1 3.08Å; Y363-E367 WeakPolarHBondContact O-CB 3.49Å; Y363-E367 PolarHBondContact O-N 3.33Å; E367-H369 PolarHBondContact O-N 3.18Å; E367-H369 VanDerWaalsContact O-N 3.09Å; E367-H369 IonicContact OE2-CE1 2.71Å; E367-H369 IonicContact OE2-NE2 3.32Å; E367-H369 PolarHBondContact OE2-NE2 3Å; E367-M426 HydrophobicContact CG-CB 3.71Å; E367-M426 HydrophobicContact CG-CG 3.7Å; E367-M426 HydrophobicContact CG-SD 3.57Å; E367-M426 VanDerWaalsContact CG-SD 3.57Å; E367-E430 WeakPolarHBondContact OE1-CG 3.3Å
368V98.4Very high97.5Very high1 Ų126 Ų261%0.00614%0.136CC..THydrogen-bonded Turntrans-68.6-9.8-176.7-62.40000113.2Q366 V370 N371 F406 W407 V425 T441Q366-V368 PolarHBondContact O-N 3.34Å; V368-V370 PolarHBondContact O-N 2.97Å; V368-N371 WeakPolarHBondContact O-CB 3.05Å; V368-N371 PolarHBondContact O-N 3.15Å; V368-N371 PolarHBondContact O-ND2 3.37Å; V368-F406 HydrophobicContact CB-CE1 4.21Å; V368-F406 HydrophobicContact CB-CZ 4.22Å; V368-F406 HydrophobicContact CG1-CZ 4.04Å; V368-W407 HydrophobicContact CB-CH2 4.27Å; V368-W407 HydrophobicContact CB-CZ3 4.29Å; V368-W407 HydrophobicContact CG2-CH2 4.06Å; V368-W407 HydrophobicContact CG2-CZ3 3.91Å; V368-W407 WeakPolarHBondContact O-CH2 3.11Å; V368-V425 HydrophobicContact CG2-CB 4.39Å; V368-V425 HydrophobicContact CG2-CG1 3.73Å; V368-T441 HydrophobicContact CG2-CG2 4.21Å
369H98.4Very high97.6Very high0 Ų027.3 Ų27.30%014%0.141CC..THydrogen-bonded Turntrans-68-15.4-179.170.878.7000113.7W300 W348 E367 N371 G372 A373 Y440 T441 L444W300-H369 AromaticContact CD2-CE1 3.6Å; W300-H369 AromaticContact CE2-CE1 3.95Å; W300-H369 AromaticContact CE3-CE1 3.42Å; W300-H369 VanDerWaalsContact CE3-CE1 3.42Å; W300-H369 AromaticContact CE3-ND1 3.54Å; W300-H369 AromaticContact CZ3-CE1 3.61Å; W300-H369 AromaticContact CZ3-ND1 3.86Å; W348-H369 AromaticContact CH2-CE1 3.92Å; W348-H369 AromaticContact CZ3-CE1 3.66Å; W348-H369 AromaticContact CZ3-NE2 3.89Å; E367-H369 PolarHBondContact O-N 3.18Å; E367-H369 VanDerWaalsContact O-N 3.09Å; E367-H369 IonicContact OE2-CE1 2.71Å; E367-H369 IonicContact OE2-NE2 3.32Å; E367-H369 PolarHBondContact OE2-NE2 3Å; H369-N371 PolarHBondContact O-N 3.35Å; H369-N371 VanDerWaalsContact O-N 3.15Å; H369-G372 WeakPolarHBondContact O-CA 3.45Å; H369-G372 PolarHBondContact O-N 2.89Å; H369-A373 PolarHBondContact O-N 3.41Å; H369-A373 VanDerWaalsContact O-N 3.12Å; H369-Y440 HydrophobicContact CB-CD1 4.15Å; H369-Y440 HydrophobicContact CB-CE1 3.76Å; H369-Y440 AromaticContact CG-CE1 3.72Å; H369-Y440 AromaticContact ND1-CE1 3.64Å; H369-T441 HydrophobicContact CB-CG2 4.09Å; H369-L444 HydrophobicContact CB-CD1 4.11Å
370V98.7Very high97.8Very high0 Ų025.9 Ų25.90%013%0.13CC..Hα-helixtrans-49.7-38169.262.60000111.8W300 F346 W348 V368 G372 A373 V374W300-V370 HydrophobicContact CB-CB 4.26Å; W300-V370 HydrophobicContact CB-CG2 4.01Å; F346-V370 HydrophobicContact CB-CG1 4.35Å; F346-V370 HydrophobicContact CB-CG2 4.39Å; F346-V370 WeakPolarHBondContact O-CG1 3.42Å; W348-V370 HydrophobicContact CE3-CB 4.2Å; W348-V370 HydrophobicContact CZ3-CB 4.46Å; V368-V370 PolarHBondContact O-N 2.97Å; V370-G372 VanDerWaalsContact C-N 3.29Å; V370-G372 PolarHBondContact O-N 3Å; V370-A373 PolarHBondContact O-N 3.1Å; V370-V374 WeakPolarHBondContact O-CG2 3.42Å; V370-V374 PolarHBondContact O-N 3.04Å
371N98.7Very high98Very high0 Ų021 Ų210%011%0.107CC..Hα-helixtrans-59.8-39.8176.6-70.1-33.6000112.7K345 F346 V368 H369 V375 V403 F406 W407K345-N371 WeakPolarHBondContact CA-OD1 3.45Å; F346-N371 PolarHBondContact N-OD1 3.1Å; V368-N371 WeakPolarHBondContact O-CB 3.05Å; V368-N371 PolarHBondContact O-N 3.15Å; V368-N371 PolarHBondContact O-ND2 3.37Å; H369-N371 PolarHBondContact O-N 3.35Å; H369-N371 VanDerWaalsContact O-N 3.15Å; N371-V375 WeakPolarHBondContact O-CG2 3.37Å; N371-V375 PolarHBondContact O-N 3.31Å; N371-V403 HydrophobicContact CB-CG1 3.84Å; N371-V403 HydrophobicContact CB-CG2 4.47Å; N371-F406 VanDerWaalsContact ND2-CD1 3.27Å; N371-F406 WeakPolarHBondContact ND2-CD1 3.06Å; N371-F406 WeakPolarHBondContact ND2-CE1 3.42Å; N371-W407 HydrophobicContact CB-CH2 4.23Å; N371-W407 HydrophobicContact CB-CZ2 3.62Å
372G98.6Very high98.2Very high0 Ų015 Ų150%07%0.074CC..Hα-helixtrans-71.9-37.7178.200000112.2H369 V370 V375 L376H369-G372 WeakPolarHBondContact O-CA 3.45Å; H369-G372 PolarHBondContact O-N 2.89Å; V370-G372 VanDerWaalsContact C-N 3.29Å; V370-G372 PolarHBondContact O-N 3Å; G372-V375 PolarHBondContact O-N 3.38Å; G372-L376 VanDerWaalsContact O-CB 3.29Å; G372-L376 WeakPolarHBondContact O-CB 3.45Å; G372-L376 PolarHBondContact O-N 3.11Å
373A98.6Very high98.2Very high0 Ų012.8 Ų12.80%06%0.063CC..Hα-helixtrans-62-43.5173.500000111.5W300 D303 L304 H369 V370 L376 A377W300-A373 HydrophobicContact CB-CB 4.06Å; D303-A373 HydrophobicContact CB-CB 4.37Å; L304-A373 HydrophobicContact CB-CB 4.5Å; L304-A373 HydrophobicContact CD1-CB 4.44Å; H369-A373 PolarHBondContact O-N 3.41Å; H369-A373 VanDerWaalsContact O-N 3.12Å; V370-A373 PolarHBondContact O-N 3.1Å; A373-L376 PolarHBondContact O-N 3.45Å; A373-A377 PolarHBondContact O-N 3.29Å
374V98.9Very high98.3Very high0 Ų010 Ų100%05%0.052CC..Hα-helixtrans-57.9-53.2173.8172.20000110.6D303 R325 F346 V370 L376 A377 F378 V399D303-V374 WeakPolarHBondContact OD2-CG2 3.39Å; R325-V374 HydrophobicContact CB-CG1 4.28Å; R325-V374 HydrophobicContact CG-CG1 4.11Å; R325-V374 HydrophobicContact CG-CG2 4.3Å; F346-V374 HydrophobicContact CD2-CB 4.3Å; F346-V374 HydrophobicContact CD2-CG1 4.14Å; F346-V374 HydrophobicContact CD2-CG2 4.11Å; F346-V374 HydrophobicContact CE2-CB 4.44Å; F346-V374 HydrophobicContact CE2-CG1 3.8Å; F346-V374 HydrophobicContact CG-CG2 4.21Å; F346-V374 HydrophobicContact CZ-CG1 4.2Å; V370-V374 WeakPolarHBondContact O-CG2 3.42Å; V370-V374 PolarHBondContact O-N 3.04Å; V374-L376 VanDerWaalsContact C-N 3.3Å; V374-L376 PolarHBondContact O-N 2.83Å; V374-A377 WeakPolarHBondContact O-CB 3.44Å; V374-A377 PolarHBondContact O-N 3.23Å; V374-A377 VanDerWaalsContact O-N 3.1Å; V374-F378 HydrophobicContact CG1-CD2 3.99Å; V374-F378 HydrophobicContact CG1-CE2 3.82Å; V374-F378 WeakPolarHBondContact O-CD2 3.24Å; V374-F378 PolarHBondContact O-N 2.52Å; V374-F378 VanDerWaalsContact O-N 3.14Å; V374-V399 HydrophobicContact CG1-CG1 4.14Å
375V98.8Very high98.3Very high1 Ų110.7 Ų10.71%0.0066%0.056CC..Hα-helixtrans-64.1-35.4-178.6175.80000112.2N371 G372 A377 F378 E379 V403 F451N371-V375 WeakPolarHBondContact O-CG2 3.37Å; N371-V375 PolarHBondContact O-N 3.31Å; G372-V375 PolarHBondContact O-N 3.38Å; V375-A377 VanDerWaalsContact C-N 3.32Å; V375-A377 PolarHBondContact O-N 2.85Å; V375-F378 PolarHBondContact O-N 3.28Å; V375-E379 PolarHBondContact O-N 3.05Å; V375-V403 HydrophobicContact CG2-CB 3.64Å; V375-V403 HydrophobicContact CG2-CG1 3.47Å; V375-V403 VanDerWaalsContact CG2-CG1 3.47Å; V375-V403 HydrophobicContact CG2-CG2 3.95Å; V375-F451 HydrophobicContact CG1-CD1 3.7Å; V375-F451 HydrophobicContact CG1-CE1 4.39Å
376L98.7Very high98.1Very high8 Ų811 Ų114%0.0425%0.053CC..Hα-helixtrans-61.4-39.7173.6-179.861.1000111.7L304 G372 A373 V374 E379 L380 V509 P510L304-L376 HydrophobicContact CD1-CD2 4.01Å; G372-L376 VanDerWaalsContact O-CB 3.29Å; G372-L376 WeakPolarHBondContact O-CB 3.45Å; G372-L376 PolarHBondContact O-N 3.11Å; A373-L376 PolarHBondContact O-N 3.45Å; V374-L376 VanDerWaalsContact C-N 3.3Å; V374-L376 PolarHBondContact O-N 2.83Å; L376-E379 PolarHBondContact O-N 2.88Å; L376-L380 HydrophobicContact CD1-CG 4.32Å; L376-L380 HydrophobicContact CG-CD1 4.28Å; L376-L380 WeakPolarHBondContact O-CB 3.38Å; L376-L380 VanDerWaalsContact O-CG 3.3Å; L376-L380 WeakPolarHBondContact O-CG 3.43Å; L376-L380 PolarHBondContact O-N 3.42Å; L376-V509 HydrophobicContact CD2-CG2 4.32Å; L376-P510 HydrophobicContact CD1-CG 4.27Å
377A98.8Very high98Very high0 Ų010.7 Ų10.70%05%0.053CC..Hα-helixtrans-63.4-42174.500000112D303 F307 L322 A373 V374 V375 Y381D303-A377 HydrophobicContact CB-CB 4.01Å; F307-A377 HydrophobicContact CD1-CB 3.67Å; F307-A377 HydrophobicContact CD2-CB 4.3Å; F307-A377 HydrophobicContact CE1-CB 3.72Å; F307-A377 WeakPolarHBondContact CE1-O 3.24Å; F307-A377 HydrophobicContact CE2-CB 4.34Å; F307-A377 HydrophobicContact CG-CB 3.97Å; F307-A377 HydrophobicContact CZ-CB 4.07Å; L322-A377 HydrophobicContact CD2-CB 3.94Å; A373-A377 PolarHBondContact O-N 3.29Å; V374-A377 WeakPolarHBondContact O-CB 3.44Å; V374-A377 PolarHBondContact O-N 3.23Å; V374-A377 VanDerWaalsContact O-N 3.1Å; V375-A377 VanDerWaalsContact C-N 3.32Å; V375-A377 PolarHBondContact O-N 2.85Å; A377-Y381 VanDerWaalsContact O-CB 3.31Å; A377-Y381 WeakPolarHBondContact O-CB 3.41Å; A377-Y381 PolarHBondContact O-N 3.04Å
378F98.8Very high97.8Very high0 Ų013.4 Ų13.40%07%0.067CC..Hα-helixtrans-62.5-41.1172.5-82-89.6000112.5L322 R325 I326 V374 V375 Y381 Y382 L390 F391 V399 V400 F451L322-F378 HydrophobicContact CB-CE1 3.99Å; L322-F378 HydrophobicContact CB-CE2 4.4Å; L322-F378 HydrophobicContact CB-CZ 3.86Å; L322-F378 HydrophobicContact CD1-CD1 3.89Å; L322-F378 HydrophobicContact CD1-CE1 4.08Å; L322-F378 HydrophobicContact CD1-CG 4.2Å; L322-F378 HydrophobicContact CD2-CD2 3.89Å; L322-F378 HydrophobicContact CD2-CE1 4.5Å; L322-F378 HydrophobicContact CD2-CE2 3.85Å; L322-F378 HydrophobicContact CD2-CG 4.23Å; L322-F378 HydrophobicContact CD2-CZ 4.17Å; L322-F378 HydrophobicContact CG-CE1 4.41Å; L322-F378 HydrophobicContact CG-CZ 4.39Å; R325-F378 HydrophobicContact CB-CE2 4.15Å; R325-F378 HydrophobicContact CB-CZ 4.44Å; I326-F378 HydrophobicContact CD1-CE1 4.2Å; I326-F378 HydrophobicContact CD1-CZ 4.33Å; I326-F378 HydrophobicContact CG1-CE1 4.19Å; I326-F378 HydrophobicContact CG1-CZ 3.87Å; V374-F378 HydrophobicContact CG1-CD2 3.99Å; V374-F378 HydrophobicContact CG1-CE2 3.82Å; V374-F378 WeakPolarHBondContact O-CD2 3.24Å; V374-F378 PolarHBondContact O-N 2.52Å; V374-F378 VanDerWaalsContact O-N 3.14Å; V375-F378 PolarHBondContact O-N 3.28Å; F378-Y381 PolarHBondContact O-N 2.89Å; F378-Y382 WeakPolarHBondContact O-CB 3.31Å; F378-Y382 PolarHBondContact O-N 2.82Å; F378-L390 HydrophobicContact CD1-CD2 4.44Å; F378-L390 HydrophobicContact CE1-CD2 4.29Å; F378-F391 HydrophobicContact CB-CE1 4.24Å; F378-F391 HydrophobicContact CB-CZ 4.45Å; F378-F391 AromaticContact CD1-CE1 3.69Å; F378-F391 HydrophobicContact CD1-CE1 3.69Å; F378-F391 HydrophobicContact CD1-CZ 4.09Å; F378-F391 HydrophobicContact CG-CE1 4.43Å; F378-V399 HydrophobicContact CD2-CG1 4.22Å; F378-V399 HydrophobicContact CE2-CB 4.33Å; F378-V399 HydrophobicContact CE2-CG1 3.67Å; F378-V399 HydrophobicContact CZ-CB 4.15Å; F378-V399 HydrophobicContact CZ-CG1 4Å; F378-V399 HydrophobicContact CZ-CG2 4.22Å; F378-V400 HydrophobicContact CB-CG2 4.12Å; F378-V400 HydrophobicContact CG-CG2 4.29Å; F378-F451 HydrophobicContact CB-CE1 4.14Å
379E98.6Very high97.7Very high35 Ų3518.7 Ų18.716%0.1649%0.091CC..Hα-helixtrans-61.9-51177179.8174.8-156.300111.5V375 L376 Y381 Y382 H383 F451V375-E379 PolarHBondContact O-N 3.05Å; L376-E379 PolarHBondContact O-N 2.88Å; E379-Y381 VanDerWaalsContact C-N 3.3Å; E379-Y381 PolarHBondContact O-N 3.2Å; E379-Y382 PolarHBondContact O-N 3.13Å; E379-H383 PolarHBondContact O-N 2.96Å; E379-H383 IonicContact OE1-NE2 3.34Å; E379-F451 HydrophobicContact CB-CB 4.48Å; E379-F451 HydrophobicContact CB-CD1 3.93Å; E379-F451 HydrophobicContact CB-CD2 3.84Å; E379-F451 HydrophobicContact CB-CE1 4.06Å; E379-F451 HydrophobicContact CB-CE2 4.01Å; E379-F451 HydrophobicContact CB-CG 3.81Å; E379-F451 HydrophobicContact CB-CZ 4.12Å; E379-F451 HydrophobicContact CG-CB 4.37Å; E379-F451 HydrophobicContact CG-CD2 3.65Å; E379-F451 HydrophobicContact CG-CE2 4.07Å; E379-F451 HydrophobicContact CG-CG 3.93Å
380L98.4Very high97.7Very high26 Ų2618.7 Ų18.714%0.1369%0.091CC..Hα-helixtrans-57.6-44.7176.4-71.1173.3000111F307 P308 L311 L376 H383 T384 V604F307-L380 HydrophobicContact CE1-CB 4.48Å; P308-L380 HydrophobicContact CG-CD1 4.35Å; L311-L380 HydrophobicContact CD2-CB 3.74Å; L311-L380 WeakPolarHBondContact CD2-O 3.27Å; L376-L380 HydrophobicContact CD1-CG 4.32Å; L376-L380 HydrophobicContact CG-CD1 4.28Å; L376-L380 WeakPolarHBondContact O-CB 3.38Å; L376-L380 VanDerWaalsContact O-CG 3.3Å; L376-L380 WeakPolarHBondContact O-CG 3.43Å; L376-L380 PolarHBondContact O-N 3.42Å; L380-H383 PolarHBondContact O-N 2.85Å; L380-T384 WeakPolarHBondContact O-CB 3.44Å; L380-T384 PolarHBondContact O-N 2.97Å; L380-T384 PolarHBondContact O-OG1 3.27Å; L380-T384 VanDerWaalsContact O-OG1 3.06Å; L380-V604 HydrophobicContact CD2-CB 4.14Å
381Y98.6Very high97.7Very high8 Ų818.8 Ų18.83%0.0319%0.092CC..Hα-helixtrans-60.4-47.7177.8-175.1-95.1000112.2F307 L311 P315 A318 R319 L322 A377 F378 E379 H383 T384 T385 D387 L390 F391F307-Y381 HydrophobicContact CZ-CD2 4.3Å; L311-Y381 HydrophobicContact CD1-CD2 3.74Å; L311-Y381 HydrophobicContact CD1-CE2 4.38Å; P315-Y381 WeakPolarHBondContact O-CE2 3.39Å; A318-Y381 HydrophobicContact CB-CD2 4.2Å; A318-Y381 HydrophobicContact CB-CE2 4.38Å; R319-Y381 HydrophobicContact CB-CE2 3.85Å; R319-Y381 WeakPolarHBondContact CB-OH 3.42Å; R319-Y381 WeakPolarHBondContact CD-OH 3.42Å; R319-Y381 HydrophobicContact CG-CE2 4.43Å; R319-Y381 WeakPolarHBondContact CG-OH 3.36Å; L322-Y381 HydrophobicContact CD1-CD1 3.85Å; L322-Y381 HydrophobicContact CD1-CD2 3.91Å; L322-Y381 HydrophobicContact CD1-CG 3.47Å; L322-Y381 VanDerWaalsContact CD1-CG 3.47Å; A377-Y381 VanDerWaalsContact O-CB 3.31Å; A377-Y381 WeakPolarHBondContact O-CB 3.41Å; A377-Y381 PolarHBondContact O-N 3.04Å; F378-Y381 PolarHBondContact O-N 2.89Å; E379-Y381 VanDerWaalsContact C-N 3.3Å; E379-Y381 PolarHBondContact O-N 3.2Å; Y381-H383 PolarHBondContact O-N 2.95Å; Y381-T384 PolarHBondContact O-N 3.24Å; Y381-T385 HydrophobicContact CD2-CG2 4.09Å; Y381-T385 HydrophobicContact CE1-CG2 4.3Å; Y381-T385 WeakPolarHBondContact CE1-OG1 3.47Å; Y381-T385 HydrophobicContact CE2-CG2 3.73Å; Y381-T385 HydrophobicContact CG-CG2 4.47Å; Y381-T385 WeakPolarHBondContact O-CB 3.36Å; Y381-T385 PolarHBondContact O-N 2.84Å; Y381-T385 PolarHBondContact O-OG1 2.92Å; Y381-D387 HydrophobicContact CE1-CB 3.81Å; Y381-D387 PolarHBondContact OH-OD2 3.01Å; Y381-L390 HydrophobicContact CD1-CD2 3.52Å; Y381-L390 HydrophobicContact CE1-CB 4.3Å; Y381-L390 HydrophobicContact CE1-CD2 3.37Å; Y381-L390 HydrophobicContact CE1-CG 4.42Å; Y381-L390 HydrophobicContact CG-CD2 4.44Å; Y381-F391 HydrophobicContact CD1-CE2 4.29Å
382Y98.1Very high97.6Very high7 Ų725.8 Ų25.83%0.02712%0.118CC..Hα-helixtrans-60-47.9178.6-178.4-119000111.2F378 E379 T384 T385 Q386 L388 F391 F451 L455 D458F378-Y382 WeakPolarHBondContact O-CB 3.31Å; F378-Y382 PolarHBondContact O-N 2.82Å; E379-Y382 PolarHBondContact O-N 3.13Å; Y382-T384 VanDerWaalsContact C-N 3.31Å; Y382-T384 PolarHBondContact O-N 2.77Å; Y382-T385 PolarHBondContact O-N 3.11Å; Y382-Q386 WeakPolarHBondContact O-CA 3.25Å; Y382-Q386 PolarHBondContact O-N 3.35Å; Y382-Q386 PolarHBondContact O-NE2 3.01Å; Y382-L388 HydrophobicContact CE2-CD2 3.77Å; Y382-F391 AromaticContact CD2-CD2 3.86Å; Y382-F391 HydrophobicContact CD2-CD2 3.86Å; Y382-F391 AromaticContact CD2-CE2 3.55Å; Y382-F391 HydrophobicContact CD2-CE2 3.55Å; Y382-F391 HydrophobicContact CD2-CZ 4.28Å; Y382-F391 HydrophobicContact CG-CE2 4Å; Y382-F391 HydrophobicContact CG-CZ 4.3Å; Y382-F451 AromaticContact CD1-CE2 3.9Å; Y382-F451 HydrophobicContact CD1-CE2 3.9Å; Y382-F451 HydrophobicContact CG-CE2 4.33Å; Y382-L455 HydrophobicContact CD2-CD1 4.33Å; Y382-L455 HydrophobicContact CE1-CD1 4.32Å; Y382-L455 HydrophobicContact CE2-CD1 4.14Å; Y382-D458 WeakPolarHBondContact OH-CB 3.47Å; Y382-D458 PolarHBondContact OH-OD2 3.25Å
383H97Very high97.5Very high16 Ų1632.5 Ų32.57%0.07415%0.15CC..Hα-helixtrans-66.5-31.7-179-69.2-18000113.4E379 L380 Y381 V604E379-H383 PolarHBondContact O-N 2.96Å; E379-H383 IonicContact OE1-NE2 3.34Å; L380-H383 PolarHBondContact O-N 2.85Å; Y381-H383 PolarHBondContact O-N 2.95Å; H383-V604 HydrophobicContact CB-CG1 3.7Å
384T97.4Very high97.5Very high0 Ų034.1 Ų34.10%016%0.163CC..Hα-helixtrans-78.4-40.9176.9-65.10000113L311 L380 Y381 Y382 V604 F628 Q630L311-T384 HydrophobicContact CD1-CG2 3.96Å; L311-T384 HydrophobicContact CG-CG2 4.1Å; L380-T384 WeakPolarHBondContact O-CB 3.44Å; L380-T384 PolarHBondContact O-N 2.97Å; L380-T384 PolarHBondContact O-OG1 3.27Å; L380-T384 VanDerWaalsContact O-OG1 3.06Å; Y381-T384 PolarHBondContact O-N 3.24Å; Y382-T384 VanDerWaalsContact C-N 3.31Å; Y382-T384 PolarHBondContact O-N 2.77Å; T384-V604 VanDerWaalsContact OG1-CG1 3.26Å; T384-V604 WeakPolarHBondContact OG1-CG1 3.23Å; T384-F628 HydrophobicContact CG2-CD1 3.8Å; T384-F628 HydrophobicContact CG2-CE1 4.31Å; T384-Q630 WeakPolarHBondContact O-CA 3.36Å; T384-Q630 PolarHBondContact O-N 3.21Å
385T96.3Very high97.4Very high17 Ų1734.6 Ų34.610%0.10417%0.168CC..Hα-helixtrans-106.9-30.4-166.7650000114L311 P315 Y381 Y382 D387 F628L311-T385 HydrophobicContact CD1-CG2 4.34Å; P315-T385 HydrophobicContact CB-CG2 3.9Å; Y381-T385 HydrophobicContact CD2-CG2 4.09Å; Y381-T385 HydrophobicContact CE1-CG2 4.3Å; Y381-T385 WeakPolarHBondContact CE1-OG1 3.47Å; Y381-T385 HydrophobicContact CE2-CG2 3.73Å; Y381-T385 HydrophobicContact CG-CG2 4.47Å; Y381-T385 WeakPolarHBondContact O-CB 3.36Å; Y381-T385 PolarHBondContact O-N 2.84Å; Y381-T385 PolarHBondContact O-OG1 2.92Å; Y382-T385 PolarHBondContact O-N 3.11Å; T385-D387 PolarHBondContact O-N 3.4Å; T385-D387 PolarHBondContact OG1-N 3.41Å; T385-D387 VanDerWaalsContact OG1-N 3.16Å; T385-F628 HydrophobicContact CG2-CE1 3.84Å
386Q93.8Very high97.4Very high71 Ų7134.5 Ų34.533%0.33217%0.168SC..  trans52.828.8-166.4-61.5-72.5-7600113Y382 L388 Q630Y382-Q386 WeakPolarHBondContact O-CA 3.25Å; Y382-Q386 PolarHBondContact O-N 3.35Å; Y382-Q386 PolarHBondContact O-NE2 3.01Å; Q386-L388 VanDerWaalsContact C-N 3.34Å; Q386-L388 PolarHBondContact O-N 3.42Å; Q386-Q630 HydrophobicContact CG-CG 4.29Å
387D95.3Very high97.4Very high34 Ų3435.3 Ų35.318%0.18217%0.17CC..  trans-72.186.1177177.511.1000111R319 Y381 T385 Q389 L390 F391R319-D387 IonicContact NE-OD2 3.83Å; R319-D387 PolarHBondContact NE-OD2 3.28Å; Y381-D387 HydrophobicContact CE1-CB 3.81Å; Y381-D387 PolarHBondContact OH-OD2 3.01Å; T385-D387 PolarHBondContact O-N 3.4Å; T385-D387 PolarHBondContact OG1-N 3.41Å; T385-D387 VanDerWaalsContact OG1-N 3.16Å; D387-Q389 PolarHBondContact O-N 3.2Å; D387-Q389 WeakPolarHBondContact OD1-CA 3.38Å; D387-Q389 VanDerWaalsContact OD1-CB 3.25Å; D387-Q389 WeakPolarHBondContact OD1-CB 3.47Å; D387-Q389 PolarHBondContact OD1-N 2.83Å; D387-L390 PolarHBondContact O-N 2.81Å; D387-L390 PolarHBondContact OD1-N 2.99Å; D387-F391 VanDerWaalsContact O-CD2 3.25Å; D387-F391 WeakPolarHBondContact O-CD2 3.34Å
388L95.1Very high97.4Very high57 Ų5738.3 Ų38.330%0.29819%0.186SC..Hα-helixtrans-65.2-19.4175.7-69.2173000113.2Y382 Q386 F391 R392 L459Y382-L388 HydrophobicContact CE2-CD2 3.77Å; Q386-L388 VanDerWaalsContact C-N 3.34Å; Q386-L388 PolarHBondContact O-N 3.42Å; L388-F391 PolarHBondContact O-N 2.89Å; L388-R392 WeakPolarHBondContact O-CB 3.23Å; L388-R392 WeakPolarHBondContact O-CG 3.17Å; L388-R392 PolarHBondContact O-N 2.92Å; L388-L459 HydrophobicContact CD2-CD2 4Å
389Q96.2Very high97.4Very high112 Ų11238.3 Ų38.352%0.52319%0.186SC..Hα-helixtrans-69.7-41.5-179.4-165.5-179.37.900110.6D387 F391 R392 E393 A394D387-Q389 PolarHBondContact O-N 3.2Å; D387-Q389 WeakPolarHBondContact OD1-CA 3.38Å; D387-Q389 VanDerWaalsContact OD1-CB 3.25Å; D387-Q389 WeakPolarHBondContact OD1-CB 3.47Å; D387-Q389 PolarHBondContact OD1-N 2.83Å; Q389-F391 PolarHBondContact O-N 3.3Å; Q389-R392 PolarHBondContact O-N 3.04Å; Q389-E393 HydrophobicContact CG-CB 4.21Å; Q389-E393 HydrophobicContact CG-CG 4.3Å; Q389-E393 VanDerWaalsContact CG-OE2 3.27Å; Q389-E393 WeakPolarHBondContact CG-OE2 3.4Å; Q389-E393 PolarHBondContact NE2-OE2 2.93Å; Q389-E393 WeakPolarHBondContact O-CB 3.37Å; Q389-E393 PolarHBondContact O-N 3.07Å; Q389-A394 PolarHBondContact O-N 3.26Å
390L97.7Very high97.5Very high0 Ų036.7 Ų36.70%018%0.178CC..Hα-helixtrans-53.5-44.6173.7-176.274.3000111.4R319 L322 E323 I326 F378 Y381 D387 A394 G395 G396R319-L390 HydrophobicContact CG-CD1 3.94Å; L322-L390 HydrophobicContact CB-CD2 4.38Å; L322-L390 HydrophobicContact CD1-CD2 3.75Å; E323-L390 HydrophobicContact CG-CD1 4.19Å; I326-L390 HydrophobicContact CD1-CD1 3.76Å; I326-L390 HydrophobicContact CD1-CG 4.35Å; F378-L390 HydrophobicContact CD1-CD2 4.44Å; F378-L390 HydrophobicContact CE1-CD2 4.29Å; Y381-L390 HydrophobicContact CD1-CD2 3.52Å; Y381-L390 HydrophobicContact CE1-CB 4.3Å; Y381-L390 HydrophobicContact CE1-CD2 3.37Å; Y381-L390 HydrophobicContact CE1-CG 4.42Å; Y381-L390 HydrophobicContact CG-CD2 4.44Å; D387-L390 PolarHBondContact O-N 2.81Å; D387-L390 PolarHBondContact OD1-N 2.99Å; L390-A394 HydrophobicContact CD1-CB 4.04Å; L390-A394 WeakPolarHBondContact O-CB 3.46Å; L390-A394 PolarHBondContact O-N 2.76Å; L390-G395 PolarHBondContact O-N 3.05Å; L390-G396 PolarHBondContact O-N 3.39Å
391F98.6Very high97.5Very high2 Ų239.7 Ų39.71%0.00919%0.188CC..Hα-helixtrans-79-37.8-176.4-64.3-79.9000113.4F378 Y381 Y382 D387 L388 Q389 W397 V400 F451 L455 L459F378-F391 HydrophobicContact CB-CE1 4.24Å; F378-F391 HydrophobicContact CB-CZ 4.45Å; F378-F391 AromaticContact CD1-CE1 3.69Å; F378-F391 HydrophobicContact CD1-CE1 3.69Å; F378-F391 HydrophobicContact CD1-CZ 4.09Å; F378-F391 HydrophobicContact CG-CE1 4.43Å; Y381-F391 HydrophobicContact CD1-CE2 4.29Å; Y382-F391 AromaticContact CD2-CD2 3.86Å; Y382-F391 HydrophobicContact CD2-CD2 3.86Å; Y382-F391 AromaticContact CD2-CE2 3.55Å; Y382-F391 HydrophobicContact CD2-CE2 3.55Å; Y382-F391 HydrophobicContact CD2-CZ 4.28Å; Y382-F391 HydrophobicContact CG-CE2 4Å; Y382-F391 HydrophobicContact CG-CZ 4.3Å; D387-F391 VanDerWaalsContact O-CD2 3.25Å; D387-F391 WeakPolarHBondContact O-CD2 3.34Å; L388-F391 PolarHBondContact O-N 2.89Å; Q389-F391 PolarHBondContact O-N 3.3Å; F391-W397 WeakPolarHBondContact O-CB 3.33Å; F391-W397 PolarHBondContact O-N 3.06Å; F391-W397 VanDerWaalsContact O-N 3.13Å; F391-V400 HydrophobicContact CE1-CG2 4.38Å; F391-F451 HydrophobicContact CE1-CZ 4.26Å; F391-F451 HydrophobicContact CZ-CZ 4.44Å; F391-L455 HydrophobicContact CB-CD1 4.42Å; F391-L455 HydrophobicContact CD1-CD1 4.17Å; F391-L455 HydrophobicContact CD1-CD2 3.41Å; F391-L455 VanDerWaalsContact CD1-CD2 3.41Å; F391-L455 HydrophobicContact CD1-CG 4.4Å; F391-L455 HydrophobicContact CD2-CD1 4.49Å; F391-L455 HydrophobicContact CE1-CD2 3.74Å; F391-L455 HydrophobicContact CG-CD1 4.09Å; F391-L455 HydrophobicContact CG-CD2 4.14Å; F391-L459 HydrophobicContact CB-CD1 4.26Å; F391-L459 HydrophobicContact CB-CD2 4.44Å
392R97.3Very high97.5Very high148 Ų14839.5 Ų39.556%0.55819%0.188SC*.Hα-helixtrans-82.8-35.6-176.7-72.1179.7177.7170.91.4114.2L388 Q389 L459L388-R392 WeakPolarHBondContact O-CB 3.23Å; L388-R392 WeakPolarHBondContact O-CG 3.17Å; L388-R392 PolarHBondContact O-N 2.92Å; Q389-R392 PolarHBondContact O-N 3.04Å; R392-L459 HydrophobicContact CG-CD2 3.51Å
393E97.3Very high97.5Very high140 Ų14039.2 Ų39.265%0.65419%0.187SC*.THydrogen-bonded Turntrans-118.8-39.6-166.6-62.9175.9-165.900112.3Q389 G395Q389-E393 HydrophobicContact CG-CB 4.21Å; Q389-E393 HydrophobicContact CG-CG 4.3Å; Q389-E393 VanDerWaalsContact CG-OE2 3.27Å; Q389-E393 WeakPolarHBondContact CG-OE2 3.4Å; Q389-E393 PolarHBondContact NE2-OE2 2.93Å; Q389-E393 WeakPolarHBondContact O-CB 3.37Å; Q389-E393 PolarHBondContact O-N 3.07Å; E393-G395 VanDerWaalsContact C-N 3.34Å; E393-G395 PolarHBondContact O-N 2.8Å
394A97Very high97.6Very high34 Ų3438.5 Ų38.528%0.28118%0.184SC..SBendtrans-84.7-4.9-173.600000114.2I326 Q389 L390I326-A394 WeakPolarHBondContact CG2-O 3.47Å; Q389-A394 PolarHBondContact O-N 3.26Å; L390-A394 HydrophobicContact CD1-CB 4.04Å; L390-A394 WeakPolarHBondContact O-CB 3.46Å; L390-A394 PolarHBondContact O-N 2.76Å
395G98.3Very high97.7Very high10 Ų1041.9 Ų41.910%0.10320%0.2CC..SBendtrans97.47.9179.200000115.3L390 E393 W397 D398 V399L390-G395 PolarHBondContact O-N 3.05Å; E393-G395 VanDerWaalsContact C-N 3.34Å; E393-G395 PolarHBondContact O-N 2.8Å; G395-W397 VanDerWaalsContact C-N 3.3Å; G395-W397 PolarHBondContact O-N 2.73Å; G395-D398 PolarHBondContact O-N 2.85Å; G395-D398 VanDerWaalsContact O-N 3.1Å; G395-V399 PolarHBondContact O-N 3.18Å
396G98.7Very high97.8Very high0 Ų041.1 Ų41.10%020%0.195CC..Hα-helixtrans-62.3-34.4177.900000113.5L390 V400L390-G396 PolarHBondContact O-N 3.39Å; G396-V400 WeakPolarHBondContact O-CG2 3.19Å; G396-V400 PolarHBondContact O-N 2.75Å
397W98.7Very high98Very high25 Ų2537.7 Ų37.710%0.09518%0.179CC..Hα-helixtrans-65.9-39.6172.3168.7-111.9000112.3F391 G395 V399 V400 R401 L455 A456 L459 L461 W467F391-W397 WeakPolarHBondContact O-CB 3.33Å; F391-W397 PolarHBondContact O-N 3.06Å; F391-W397 VanDerWaalsContact O-N 3.13Å; G395-W397 VanDerWaalsContact C-N 3.3Å; G395-W397 PolarHBondContact O-N 2.73Å; W397-V399 VanDerWaalsContact C-N 3.3Å; W397-V399 PolarHBondContact O-N 2.81Å; W397-V400 HydrophobicContact CZ3-CG1 4.45Å; W397-V400 PolarHBondContact O-N 2.89Å; W397-R401 HydrophobicContact CD2-CB 4.39Å; W397-R401 HydrophobicContact CH2-CB 4.26Å; W397-R401 HydrophobicContact CZ2-CB 3.89Å; W397-R401 HydrophobicContact CZ2-CG 4.12Å; W397-R401 WeakPolarHBondContact O-CB 3.3Å; W397-R401 PolarHBondContact O-N 3.48Å; W397-L455 HydrophobicContact CE3-CD2 3.82Å; W397-L455 HydrophobicContact CE3-CG 4.05Å; W397-L455 HydrophobicContact CZ3-CB 4.44Å; W397-L455 HydrophobicContact CZ3-CD2 4.31Å; W397-L455 HydrophobicContact CZ3-CG 4.33Å; W397-A456 HydrophobicContact CH2-CB 3.58Å; W397-A456 HydrophobicContact CZ2-CB 4.36Å; W397-A456 HydrophobicContact CZ3-CB 3.98Å; W397-L459 HydrophobicContact CB-CD1 3.95Å; W397-L459 HydrophobicContact CD2-CD1 4.01Å; W397-L459 HydrophobicContact CE3-CD1 3.93Å; W397-L459 HydrophobicContact CG-CD1 4.01Å; W397-L461 HydrophobicContact CD2-CD1 3.81Å; W397-L461 VanDerWaalsContact CE2-CD1 3.41Å; W397-L461 HydrophobicContact CG-CD1 4.02Å; W397-L461 HydrophobicContact CZ2-CD1 3.88Å; W397-W467 AromaticContact CH2-CH2 3.6Å; W397-W467 HydrophobicContact CH2-CH2 3.6Å; W397-W467 AromaticContact CH2-CZ3 3.81Å; W397-W467 HydrophobicContact CH2-CZ3 3.81Å; W397-W467 HydrophobicContact CZ2-CH2 4.11Å
398D98.7Very high98.2Very high62 Ų6236.8 Ų36.833%0.33218%0.175SC..Hα-helixtrans-63-39.6-178.5-64.1-57.5000111.3L329 G395 R401 A402L329-D398 HydrophobicContact CD2-CB 3.88Å; G395-D398 PolarHBondContact O-N 2.85Å; G395-D398 VanDerWaalsContact O-N 3.1Å; D398-R401 IonicContact OD1-CZ 3.5Å; D398-R401 IonicContact OD1-NH1 3.83Å; D398-R401 IonicContact OD1-NH2 3.9Å; D398-R401 PolarHBondContact OD1-NH2 2.79Å; D398-A402 WeakPolarHBondContact O-CB 3.42Å; D398-A402 PolarHBondContact O-N 3.25Å
399V98.9Very high98.4Very high0 Ų035.8 Ų35.80%017%0.173CC..Hα-helixtrans-59.9-53.8172.5173.70000111.4I326 L329 F346 V374 F378 G395 W397 R401 A402 V403I326-V399 HydrophobicContact CB-CG2 4.28Å; I326-V399 HydrophobicContact CG1-CG2 3.83Å; L329-V399 HydrophobicContact CB-CG2 4.46Å; L329-V399 HydrophobicContact CD1-CG2 4.32Å; L329-V399 HydrophobicContact CD2-CG2 4.14Å; F346-V399 HydrophobicContact CE2-CG1 3.85Å; F346-V399 HydrophobicContact CZ-CG1 3.8Å; F346-V399 HydrophobicContact CZ-CG2 4.45Å; V374-V399 HydrophobicContact CG1-CG1 4.14Å; F378-V399 HydrophobicContact CD2-CG1 4.22Å; F378-V399 HydrophobicContact CE2-CB 4.33Å; F378-V399 HydrophobicContact CE2-CG1 3.67Å; F378-V399 HydrophobicContact CZ-CB 4.15Å; F378-V399 HydrophobicContact CZ-CG1 4Å; F378-V399 HydrophobicContact CZ-CG2 4.22Å; G395-V399 PolarHBondContact O-N 3.18Å; W397-V399 VanDerWaalsContact C-N 3.3Å; W397-V399 PolarHBondContact O-N 2.81Å; V399-R401 VanDerWaalsContact C-N 3.34Å; V399-R401 PolarHBondContact O-N 2.62Å; V399-A402 PolarHBondContact O-N 3.12Å; V399-V403 PolarHBondContact O-N 2.69Å
400V98.9Very high98.5Very high1 Ų131.4 Ų31.41%0.00615%0.152CC..Hα-helixtrans-61.7-43-176.9174.10000111.3F378 F391 G396 W397 A404 F451 A452 L455F378-V400 HydrophobicContact CB-CG2 4.12Å; F378-V400 HydrophobicContact CG-CG2 4.29Å; F391-V400 HydrophobicContact CE1-CG2 4.38Å; G396-V400 WeakPolarHBondContact O-CG2 3.19Å; G396-V400 PolarHBondContact O-N 2.75Å; W397-V400 HydrophobicContact CZ3-CG1 4.45Å; W397-V400 PolarHBondContact O-N 2.89Å; V400-A404 WeakPolarHBondContact O-CB 3.44Å; V400-A404 PolarHBondContact O-N 3.33Å; V400-A404 VanDerWaalsContact O-N 3.1Å; V400-F451 HydrophobicContact CG1-CD1 3.97Å; V400-F451 HydrophobicContact CG1-CE1 4.02Å; V400-F451 HydrophobicContact CG2-CD1 4.35Å; V400-F451 HydrophobicContact CG2-CE1 3.71Å; V400-A452 HydrophobicContact CG1-CB 3.67Å; V400-L455 HydrophobicContact CB-CD2 4.25Å; V400-L455 HydrophobicContact CG1-CD2 4.18Å; V400-L455 HydrophobicContact CG2-CD2 4.12Å
401R98.8Very high98.5Very high90 Ų9032.2 Ų32.234%0.3416%0.156SC..Hα-helixtrans-62.8-48.9176.1-178.7-170.663.6-153.8-16.8111.2W397 D398 V399 V403 A404 E405 W467W397-R401 HydrophobicContact CD2-CB 4.39Å; W397-R401 HydrophobicContact CH2-CB 4.26Å; W397-R401 HydrophobicContact CZ2-CB 3.89Å; W397-R401 HydrophobicContact CZ2-CG 4.12Å; W397-R401 WeakPolarHBondContact O-CB 3.3Å; W397-R401 PolarHBondContact O-N 3.48Å; D398-R401 IonicContact OD1-CZ 3.5Å; D398-R401 IonicContact OD1-NH1 3.83Å; D398-R401 IonicContact OD1-NH2 3.9Å; D398-R401 PolarHBondContact OD1-NH2 2.79Å; V399-R401 VanDerWaalsContact C-N 3.34Å; V399-R401 PolarHBondContact O-N 2.62Å; R401-V403 VanDerWaalsContact C-N 3.31Å; R401-V403 PolarHBondContact O-N 3.03Å; R401-A404 WeakPolarHBondContact O-CB 3.43Å; R401-A404 PolarHBondContact O-N 2.71Å; R401-A404 VanDerWaalsContact O-N 3.13Å; R401-E405 WeakPolarHBondContact CD-OE1 3.47Å; R401-E405 HydrophobicContact CG-CG 4.49Å; R401-E405 WeakPolarHBondContact CG-OE1 3.42Å; R401-E405 IonicContact NE-OE1 3.66Å; R401-E405 WeakPolarHBondContact O-CG 3.25Å; R401-E405 PolarHBondContact O-N 2.77Å; R401-W467 HydrophobicContact CG-CH2 4.18Å; R401-W467 HydrophobicContact CG-CZ2 4.12Å
402A98.9Very high98.5Very high4 Ų436.7 Ų36.73%0.03318%0.177CC..Hα-helixtrans-63.7-37.5-176.400000111.8L329 L333 G343 A344 D398 V399 E405 F406L329-A402 HydrophobicContact CD1-CB 4.06Å; L333-A402 HydrophobicContact CD2-CB 4.08Å; G343-A402 CarbonylContact C-O 3.53Å; G343-A402 WeakPolarHBondContact CA-O 3.47Å; A344-A402 HydrophobicContact CB-CB 3.58Å; A344-A402 PolarHBondContact N-O 3.4Å; D398-A402 WeakPolarHBondContact O-CB 3.42Å; D398-A402 PolarHBondContact O-N 3.25Å; V399-A402 PolarHBondContact O-N 3.12Å; A402-E405 PolarHBondContact O-N 3.18Å; A402-F406 PolarHBondContact O-N 2.82Å
403V98.9Very high98.5Very high0 Ų034.6 Ų34.60%017%0.169CC..Hα-helixtrans-67.6-39173.5172.20000111.7A344 F346 N371 V375 V399 R401 E405 F406 W407A344-V403 HydrophobicContact CB-CG2 4.42Å; F346-V403 HydrophobicContact CD2-CG2 4.15Å; F346-V403 HydrophobicContact CE2-CG2 3.86Å; N371-V403 HydrophobicContact CB-CG1 3.84Å; N371-V403 HydrophobicContact CB-CG2 4.47Å; V375-V403 HydrophobicContact CG2-CB 3.64Å; V375-V403 HydrophobicContact CG2-CG1 3.47Å; V375-V403 VanDerWaalsContact CG2-CG1 3.47Å; V375-V403 HydrophobicContact CG2-CG2 3.95Å; V399-V403 PolarHBondContact O-N 2.69Å; R401-V403 VanDerWaalsContact C-N 3.31Å; R401-V403 PolarHBondContact O-N 3.03Å; V403-E405 VanDerWaalsContact C-N 3.31Å; V403-E405 PolarHBondContact O-N 3.16Å; V403-F406 WeakPolarHBondContact O-CB 3.32Å; V403-F406 PolarHBondContact O-N 2.93Å; V403-W407 VanDerWaalsContact O-CD1 3.27Å; V403-W407 PolarHBondContact O-N 3.09Å
404A98.9Very high98.6Very high1 Ų128.7 Ų28.71%0.00814%0.144CC..Hα-helixtrans-61.8-39174.800000112.4V400 R401 C408 L449 A452 W467V400-A404 WeakPolarHBondContact O-CB 3.44Å; V400-A404 PolarHBondContact O-N 3.33Å; V400-A404 VanDerWaalsContact O-N 3.1Å; R401-A404 WeakPolarHBondContact O-CB 3.43Å; R401-A404 PolarHBondContact O-N 2.71Å; R401-A404 VanDerWaalsContact O-N 3.13Å; A404-C408 PolarHBondContact O-N 2.93Å; A404-C408 VanDerWaalsContact O-N 3.09Å; A404-C408 PolarHBondContact O-SG 2.76Å; A404-L449 HydrophobicContact CB-CD2 3.75Å; A404-A452 HydrophobicContact CB-CB 3.83Å; A404-W467 HydrophobicContact CB-CD2 4.17Å; A404-W467 HydrophobicContact CB-CH2 4.46Å; A404-W467 HydrophobicContact CB-CZ2 3.94Å
405E98.8Very high98.6Very high72 Ų7231.9 Ų31.934%0.33616%0.162SC..Hα-helixtrans-64.4-42.7173.2-71.9169.6-177.600111.7R401 A402 V403 W407 C408 S409R401-E405 WeakPolarHBondContact CD-OE1 3.47Å; R401-E405 HydrophobicContact CG-CG 4.49Å; R401-E405 WeakPolarHBondContact CG-OE1 3.42Å; R401-E405 IonicContact NE-OE1 3.66Å; R401-E405 WeakPolarHBondContact O-CG 3.25Å; R401-E405 PolarHBondContact O-N 2.77Å; A402-E405 PolarHBondContact O-N 3.18Å; V403-E405 VanDerWaalsContact C-N 3.31Å; V403-E405 PolarHBondContact O-N 3.16Å; E405-W407 PolarHBondContact O-N 2.98Å; E405-C408 PolarHBondContact O-N 3.01Å; E405-S409 WeakPolarHBondContact O-CB 3.1Å; E405-S409 PolarHBondContact O-N 2.6Å
406F98.9Very high98.5Very high0 Ų042.5 Ų42.50%020%0.199CC..Hα-helixtrans-56.4-52.2174171.6-98.9000111.5A336 Y341 Q342 A344 K345 V368 N371 A402 V403 C408 S409 R410A336-F406 HydrophobicContact CB-CD2 4.15Å; Y341-F406 HydrophobicContact CD2-CE2 4.01Å; Y341-F406 HydrophobicContact CG-CE2 4.09Å; Q342-F406 WeakPolarHBondContact O-CA 3.44Å; Q342-F406 WeakPolarHBondContact O-CB 3.42Å; A344-F406 VanDerWaalsContact O-CB 3.23Å; A344-F406 WeakPolarHBondContact O-CB 3.47Å; A344-F406 WeakPolarHBondContact O-CG 3.19Å; K345-F406 HydrophobicContact CB-CD2 3.95Å; K345-F406 HydrophobicContact CB-CE2 3.71Å; K345-F406 HydrophobicContact CB-CZ 4.14Å; K345-F406 HydrophobicContact CG-CE2 4.04Å; K345-F406 HydrophobicContact CG-CZ 4.03Å; V368-F406 HydrophobicContact CB-CE1 4.21Å; V368-F406 HydrophobicContact CB-CZ 4.22Å; V368-F406 HydrophobicContact CG1-CZ 4.04Å; N371-F406 VanDerWaalsContact ND2-CD1 3.27Å; N371-F406 WeakPolarHBondContact ND2-CD1 3.06Å; N371-F406 WeakPolarHBondContact ND2-CE1 3.42Å; A402-F406 PolarHBondContact O-N 2.82Å; V403-F406 WeakPolarHBondContact O-CB 3.32Å; V403-F406 PolarHBondContact O-N 2.93Å; F406-C408 VanDerWaalsContact C-N 3.31Å; F406-C408 PolarHBondContact O-N 3.2Å; F406-S409 PolarHBondContact O-N 3.46Å; F406-S409 PolarHBondContact O-OG 2.75Å; F406-R410 HydrophobicContact CE1-CB 4.4Å; F406-R410 HydrophobicContact CE1-CG 4.39Å; F406-R410 HydrophobicContact CZ-CB 4.29Å; F406-R410 HydrophobicContact CZ-CG 4.1Å; F406-R410 VanDerWaalsContact O-CB 3.29Å; F406-R410 WeakPolarHBondContact O-CB 3.21Å; F406-R410 PolarHBondContact O-N 2.84Å
407W98.8Very high98.3Very high0 Ų046.3 Ų46.30%022%0.217CC..Hα-helixtrans-57.7-44.4178.5-69.3136000112.8V368 N371 V403 E405 S409 R410 V411 L422 T441 V445 S448 L449V368-W407 HydrophobicContact CB-CH2 4.27Å; V368-W407 HydrophobicContact CB-CZ3 4.29Å; V368-W407 HydrophobicContact CG2-CH2 4.06Å; V368-W407 HydrophobicContact CG2-CZ3 3.91Å; V368-W407 WeakPolarHBondContact O-CH2 3.11Å; N371-W407 HydrophobicContact CB-CH2 4.23Å; N371-W407 HydrophobicContact CB-CZ2 3.62Å; V403-W407 VanDerWaalsContact O-CD1 3.27Å; V403-W407 PolarHBondContact O-N 3.09Å; E405-W407 PolarHBondContact O-N 2.98Å; W407-S409 VanDerWaalsContact C-N 3.27Å; W407-S409 PolarHBondContact O-N 3.39Å; W407-R410 PolarHBondContact O-N 2.95Å; W407-V411 WeakPolarHBondContact O-CG1 3.49Å; W407-V411 WeakPolarHBondContact O-CG2 3.2Å; W407-V411 PolarHBondContact O-N 3.39Å; W407-V411 VanDerWaalsContact O-N 3.17Å; W407-L422 HydrophobicContact CZ3-CD2 4.19Å; W407-T441 HydrophobicContact CH2-CG2 4.24Å; W407-V445 HydrophobicContact CB-CG1 3.93Å; W407-V445 HydrophobicContact CD2-CB 4.38Å; W407-V445 HydrophobicContact CD2-CG1 4.34Å; W407-V445 HydrophobicContact CD2-CG2 3.58Å; W407-V445 HydrophobicContact CE3-CG2 3.54Å; W407-V445 HydrophobicContact CG-CB 4.44Å; W407-V445 HydrophobicContact CG-CG1 3.97Å; W407-V445 HydrophobicContact CG-CG2 4.11Å; W407-V445 HydrophobicContact CH2-CG2 4.12Å; W407-V445 HydrophobicContact CZ2-CG2 4.15Å; W407-V445 HydrophobicContact CZ3-CG2 3.83Å; W407-S448 PolarHBondContact NE1-OG 2.9Å; W407-L449 HydrophobicContact CB-CD2 4.29Å
408C98.7Very high98.3Very high14 Ų1451.6 Ų51.610%0.09524%0.242CC..Hα-helixtrans-65.6-29.5178.6-70.70000113.3A404 E405 F406 Q466A404-C408 PolarHBondContact O-N 2.93Å; A404-C408 VanDerWaalsContact O-N 3.09Å; A404-C408 PolarHBondContact O-SG 2.76Å; E405-C408 PolarHBondContact O-N 3.01Å; F406-C408 VanDerWaalsContact C-N 3.31Å; F406-C408 PolarHBondContact O-N 3.2Å; C408-Q466 HydrophobicContact CB-CG 4.33Å; C408-Q466 PolarHBondContact O-NE2 3.18Å
409S98.5Very high98.3Very high37 Ų3752.6 Ų52.626%0.25924%0.244SC..Hα-helixtrans-81.3-24.1175.478.50000113.5Q342 E405 F406 W407Q342-S409 PolarHBondContact N-OG 2.82Å; Q342-S409 VanDerWaalsContact N-OG 3.08Å; Q342-S409 PolarHBondContact O-OG 2.94Å; E405-S409 WeakPolarHBondContact O-CB 3.1Å; E405-S409 PolarHBondContact O-N 2.6Å; F406-S409 PolarHBondContact O-N 3.46Å; F406-S409 PolarHBondContact O-OG 2.75Å; W407-S409 VanDerWaalsContact C-N 3.27Å; W407-S409 PolarHBondContact O-N 3.39Å
410R98.3Very high98.3Very high20 Ų2054.7 Ų54.78%0.07525%0.252CS..Hα-helixtrans-89.9-25.8-173.5-173.761.4-179.485-3.1113.8Y341 F406 W407 L422 R423 G424Y341-R410 HydrophobicContact CD1-CB 4.32Å; Y341-R410 HydrophobicContact CE1-CB 4.43Å; Y341-R410 HydrophobicContact CE1-CG 4.4Å; Y341-R410 VanDerWaalsContact CE2-CD 3.49Å; Y341-R410 WeakPolarHBondContact OH-CD 3.31Å; Y341-R410 PolarHBondContact OH-NE 2.85Å; F406-R410 HydrophobicContact CE1-CB 4.4Å; F406-R410 HydrophobicContact CE1-CG 4.39Å; F406-R410 HydrophobicContact CZ-CB 4.29Å; F406-R410 HydrophobicContact CZ-CG 4.1Å; F406-R410 VanDerWaalsContact O-CB 3.29Å; F406-R410 WeakPolarHBondContact O-CB 3.21Å; F406-R410 PolarHBondContact O-N 2.84Å; W407-R410 PolarHBondContact O-N 2.95Å; R410-L422 HydrophobicContact CB-CD1 4.27Å; R410-L422 HydrophobicContact CG-CD1 3.5Å; R410-L422 VanDerWaalsContact CG-CD1 3.5Å; R410-R423 PolarHBondContact NH1-O 3.3Å; R410-R423 VanDerWaalsContact NH1-O 3.12Å; R410-R423 PolarHBondContact NH2-O 3.31Å; R410-G424 PolarHBondContact NH2-O 3.21Å
411V98.6Very high98.2Very high16 Ų1654.7 Ų54.710%0.09725%0.252CS..  trans-80147.6179.7-65.50000112.8W407 Y420 H421 L422 V470 I474W407-V411 WeakPolarHBondContact O-CG1 3.49Å; W407-V411 WeakPolarHBondContact O-CG2 3.2Å; W407-V411 PolarHBondContact O-N 3.39Å; W407-V411 VanDerWaalsContact O-N 3.17Å; V411-Y420 HydrophobicContact CB-CD1 4.23Å; V411-Y420 HydrophobicContact CG2-CD1 3.76Å; V411-Y420 HydrophobicContact CG2-CE1 4.36Å; V411-Y420 HydrophobicContact CG2-CG 4.26Å; V411-H421 WeakPolarHBondContact CA-O 3.43Å; V411-L422 HydrophobicContact CG1-CD1 4.3Å; V411-V470 HydrophobicContact CG1-CG1 4.16Å; V411-V470 HydrophobicContact CG2-CG1 3.88Å; V411-V470 HydrophobicContact CG2-CG2 4Å; V411-I474 HydrophobicContact CG1-CD1 4.05Å
412E98.3Very high98.2Very high97 Ų9750.4 Ų50.445%0.45324%0.236SC..EExtended strand (participates in β ladder)trans-114.3133.4176.8-66.2173.3-167.200110.7Y420 H421 R423E412-Y420 CarbonylContact O-C 2.98Å; E412-Y420 WeakPolarHBondContact O-CA 3.5Å; E412-H421 PolarHBondContact N-O 3.06Å; E412-H421 PolarHBondContact O-N 3.35Å; E412-R423 VanDerWaalsContact OE2-CD 3.27Å; E412-R423 WeakPolarHBondContact OE2-CD 3.29Å; E412-R423 IonicContact OE2-NE 3.9Å; E412-R423 PolarHBondContact OE2-NE 3.01Å; E412-R423 VanDerWaalsContact OE2-NE 3.09Å
413W98.2Very high98.2Very high103 Ų10354.2 Ų54.239%0.3925%0.249SC..EExtended strand (participates in β ladder)trans-75.9129.1172.7179.9-107.1000110.8P415 E418 Y420 K473W413-P415 WeakPolarHBondContact O-CD 3.43Å; W413-E418 HydrophobicContact CH2-CB 4.03Å; W413-E418 WeakPolarHBondContact CH2-O 3.49Å; W413-E418 HydrophobicContact CZ2-CB 4.03Å; W413-E418 WeakPolarHBondContact CZ3-O 3.29Å; W413-Y420 HydrophobicContact CB-CD1 4.19Å; W413-Y420 HydrophobicContact CB-CE1 3.99Å; W413-Y420 HydrophobicContact CD2-CE1 4.49Å; W413-Y420 AromaticContact CE3-CD1 3.95Å; W413-Y420 HydrophobicContact CE3-CD1 3.95Å; W413-Y420 AromaticContact CE3-CD2 3.85Å; W413-Y420 HydrophobicContact CE3-CD2 3.85Å; W413-Y420 AromaticContact CE3-CE1 3.8Å; W413-Y420 HydrophobicContact CE3-CE1 3.8Å; W413-Y420 AromaticContact CE3-CE2 3.7Å; W413-Y420 HydrophobicContact CE3-CE2 3.7Å; W413-Y420 AromaticContact CE3-CG 3.98Å; W413-Y420 HydrophobicContact CE3-CG 3.98Å; W413-Y420 AromaticContact CE3-CZ 3.68Å; W413-Y420 AromaticContact CZ3-CD2 3.99Å; W413-Y420 HydrophobicContact CZ3-CD2 3.99Å; W413-Y420 AromaticContact CZ3-CE2 3.82Å; W413-Y420 HydrophobicContact CZ3-CE2 3.82Å; W413-K473 HydrophobicContact CH2-CD 3.77Å; W413-K473 HydrophobicContact CZ3-CB 4.21Å; W413-K473 HydrophobicContact CZ3-CD 3.74Å
414S97.9Very high98.1Very high17 Ų1755.6 Ų55.612%0.11926%0.263CS..EExtended strand (participates in β ladder)trans-100.4106.9168.91760000109.7R416 E417 E418 K419 H421S414-R416 PolarHBondContact O-N 3.43Å; S414-E417 PolarHBondContact O-N 3.25Å; S414-E417 PolarHBondContact OG-N 3.07Å; S414-E418 WeakPolarHBondContact O-CA 3.29Å; S414-E418 PolarHBondContact O-N 2.93Å; S414-K419 WeakPolarHBondContact CB-O 3.48Å; S414-K419 PolarHBondContact N-O 3.14Å; S414-K419 PolarHBondContact O-N 3.09Å; S414-H421 WeakPolarHBondContact CB-CD2 3.03Å; S414-H421 WeakPolarHBondContact CB-NE2 3.31Å
415P96.8Very high98.1Very high101 Ų10155.5 Ų55.566%0.65626%0.263SS*.THydrogen-bonded Turntrans-61.5-24.5175.8-22.833.4000113.3W413W413-P415 WeakPolarHBondContact O-CD 3.43Å
416R96.7Very high98.1Very high233 Ų23352.2 Ų52.288%0.87925%0.247SC*.THydrogen-bonded Turntrans-75-42.9-178.2-179.6-177.9174.7-170.4-2.4112.5S414S414-R416 PolarHBondContact O-N 3.43Å
417E95.8Very high97.9Very high80 Ų8052.2 Ų52.237%0.37425%0.247SC..THydrogen-bonded Turntrans-93.3-10.4-179.5-68.5-173.9-14300112.3S414 K419 H421 K475S414-E417 PolarHBondContact O-N 3.25Å; S414-E417 PolarHBondContact OG-N 3.07Å; E417-K419 HydrophobicContact CB-CB 4.24Å; E417-K419 HydrophobicContact CB-CG 4.48Å; E417-K419 WeakPolarHBondContact O-CG 3.22Å; E417-K419 PolarHBondContact O-N 3.18Å; E417-H421 VanDerWaalsContact CD-CE1 3.43Å; E417-H421 IonicContact OE1-CE1 3.42Å; E417-H421 PolarHBondContact OE1-CE1 3.49Å; E417-H421 IonicContact OE1-NE2 4Å; E417-H421 IonicContact OE2-CE1 3.93Å; E417-H421 PolarHBondContact OE2-CE1 3.03Å; E417-H421 IonicContact OE2-NE2 2.81Å; E417-K475 IonicContact OE1-NZ 3.77Å; E417-K475 WeakPolarHBondContact OE2-CD 3.41Å; E417-K475 WeakPolarHBondContact OE2-CE 3.29Å; E417-K475 IonicContact OE2-NZ 2.81Å; E417-K475 PolarHBondContact OE2-NZ 2.83Å; E417-K475 VanDerWaalsContact OE2-NZ 3.08Å
418E97.6Very high97.8Very high136 Ų13652.2 Ų52.264%0.63625%0.247SC*.THydrogen-bonded Turntrans52.238.1-169.8-58-170.1147.400112.5W413 S414W413-E418 HydrophobicContact CH2-CB 4.03Å; W413-E418 WeakPolarHBondContact CH2-O 3.49Å; W413-E418 HydrophobicContact CZ2-CB 4.03Å; W413-E418 WeakPolarHBondContact CZ3-O 3.29Å; S414-E418 WeakPolarHBondContact O-CA 3.29Å; S414-E418 PolarHBondContact O-N 2.93Å
419K98.3Very high97.7Very high83 Ų8351.6 Ų51.636%0.36124%0.243SC..EExtended strand (participates in β ladder)trans-131.5154.9-178.4-71.2-174.9-177.1-173.30111.2S414 E417 H421 K473 K475S414-K419 WeakPolarHBondContact CB-O 3.48Å; S414-K419 PolarHBondContact N-O 3.14Å; S414-K419 PolarHBondContact O-N 3.09Å; E417-K419 HydrophobicContact CB-CB 4.24Å; E417-K419 HydrophobicContact CB-CG 4.48Å; E417-K419 WeakPolarHBondContact O-CG 3.22Å; E417-K419 PolarHBondContact O-N 3.18Å; K419-H421 PolarHBondContact O-CD2 3.07Å; K419-K473 CarbonylContact C-O 3.59Å; K419-K473 WeakPolarHBondContact CA-O 3.12Å; K419-K473 VanDerWaalsContact CB-O 3.26Å; K419-K473 WeakPolarHBondContact CB-O 3.15Å; K419-K475 HydrophobicContact CB-CB 4.36Å; K419-K475 HydrophobicContact CD-CB 4.05Å; K419-K475 HydrophobicContact CD-CG 4.23Å
420Y98.7Very high97.5Very high44 Ų4451.7 Ų51.717%0.17324%0.239CC..EExtended strand (participates in β ladder)trans-81.4138.8164.4-68.4-80.3000109.9V411 E412 W413 V470 K473 I474 K475V411-Y420 HydrophobicContact CB-CD1 4.23Å; V411-Y420 HydrophobicContact CG2-CD1 3.76Å; V411-Y420 HydrophobicContact CG2-CE1 4.36Å; V411-Y420 HydrophobicContact CG2-CG 4.26Å; E412-Y420 CarbonylContact O-C 2.98Å; E412-Y420 WeakPolarHBondContact O-CA 3.5Å; W413-Y420 HydrophobicContact CB-CD1 4.19Å; W413-Y420 HydrophobicContact CB-CE1 3.99Å; W413-Y420 HydrophobicContact CD2-CE1 4.49Å; W413-Y420 AromaticContact CE3-CD1 3.95Å; W413-Y420 HydrophobicContact CE3-CD1 3.95Å; W413-Y420 AromaticContact CE3-CD2 3.85Å; W413-Y420 HydrophobicContact CE3-CD2 3.85Å; W413-Y420 AromaticContact CE3-CE1 3.8Å; W413-Y420 HydrophobicContact CE3-CE1 3.8Å; W413-Y420 AromaticContact CE3-CE2 3.7Å; W413-Y420 HydrophobicContact CE3-CE2 3.7Å; W413-Y420 AromaticContact CE3-CG 3.98Å; W413-Y420 HydrophobicContact CE3-CG 3.98Å; W413-Y420 AromaticContact CE3-CZ 3.68Å; W413-Y420 AromaticContact CZ3-CD2 3.99Å; W413-Y420 HydrophobicContact CZ3-CD2 3.99Å; W413-Y420 AromaticContact CZ3-CE2 3.82Å; W413-Y420 HydrophobicContact CZ3-CE2 3.82Å; Y420-V470 HydrophobicContact CD1-CG2 4.31Å; Y420-V470 HydrophobicContact CD2-CB 4.24Å; Y420-V470 HydrophobicContact CD2-CG1 4.43Å; Y420-V470 HydrophobicContact CD2-CG2 4.02Å; Y420-V470 HydrophobicContact CE1-CG2 4.08Å; Y420-V470 HydrophobicContact CE2-CB 4.31Å; Y420-V470 HydrophobicContact CE2-CG2 3.78Å; Y420-V470 HydrophobicContact CG-CG1 4.46Å; Y420-V470 HydrophobicContact CG-CG2 4.28Å; Y420-K473 HydrophobicContact CD2-CB 3.86Å; Y420-K473 HydrophobicContact CE2-CB 4.21Å; Y420-K473 PolarHBondContact N-O 3.08Å; Y420-I474 WeakPolarHBondContact O-CA 3.35Å; Y420-K475 PolarHBondContact O-N 2.88Å
421H98.7Very high97.4Very high1 Ų156.7 Ų56.71%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-116.2144.9175.5-68.1-113000109.9V411 E412 S414 E417 K419 R423 N437V411-H421 WeakPolarHBondContact CA-O 3.43Å; E412-H421 PolarHBondContact N-O 3.06Å; E412-H421 PolarHBondContact O-N 3.35Å; S414-H421 WeakPolarHBondContact CB-CD2 3.03Å; S414-H421 WeakPolarHBondContact CB-NE2 3.31Å; E417-H421 VanDerWaalsContact CD-CE1 3.43Å; E417-H421 IonicContact OE1-CE1 3.42Å; E417-H421 PolarHBondContact OE1-CE1 3.49Å; E417-H421 IonicContact OE1-NE2 4Å; E417-H421 IonicContact OE2-CE1 3.93Å; E417-H421 PolarHBondContact OE2-CE1 3.03Å; E417-H421 IonicContact OE2-NE2 2.81Å; K419-H421 PolarHBondContact O-CD2 3.07Å; H421-R423 HydrophobicContact CB-CG 4.32Å; H421-N437 WeakPolarHBondContact CA-OD1 3.35Å; H421-N437 WeakPolarHBondContact CB-OD1 3.41Å; H421-N437 PolarHBondContact ND1-ND2 3.46Å
422L98.5Very high97.2Very high0 Ų057.7 Ų57.70%026%0.262CS..  trans-111122.7167.6-16967000107.3W407 R410 V411 V425 N437 T441 N442 V445W407-L422 HydrophobicContact CZ3-CD2 4.19Å; R410-L422 HydrophobicContact CB-CD1 4.27Å; R410-L422 HydrophobicContact CG-CD1 3.5Å; R410-L422 VanDerWaalsContact CG-CD1 3.5Å; V411-L422 HydrophobicContact CG1-CD1 4.3Å; L422-V425 HydrophobicContact CD1-CG1 4.48Å; L422-V425 HydrophobicContact CD2-CG1 3.91Å; L422-V425 HydrophobicContact CG-CG1 3.74Å; L422-N437 PolarHBondContact N-OD1 3.01Å; L422-N437 PolarHBondContact O-N 3.22Å; L422-N437 PolarHBondContact O-OD1 3.42Å; L422-T441 HydrophobicContact CD2-CG2 3.4Å; L422-N442 VanDerWaalsContact CB-OD1 3.25Å; L422-N442 WeakPolarHBondContact CB-OD1 3.46Å; L422-N442 WeakPolarHBondContact CD2-OD1 3.09Å; L422-V445 HydrophobicContact CD2-CG2 4.35Å
423R98.1Very high97Very high84 Ų8456 Ų5632%0.31726%0.261SS..EExtended strand (participates in β ladder)trans-122.7150.1-169.1-63.1-171.2-173.2-76.3-6.1112.3R410 E412 H421 N436R410-R423 PolarHBondContact NH1-O 3.3Å; R410-R423 VanDerWaalsContact NH1-O 3.12Å; R410-R423 PolarHBondContact NH2-O 3.31Å; E412-R423 VanDerWaalsContact OE2-CD 3.27Å; E412-R423 WeakPolarHBondContact OE2-CD 3.29Å; E412-R423 IonicContact OE2-NE 3.9Å; E412-R423 PolarHBondContact OE2-NE 3.01Å; E412-R423 VanDerWaalsContact OE2-NE 3.09Å; H421-R423 HydrophobicContact CB-CG 4.32Å; R423-N436 WeakPolarHBondContact CA-OD1 3.4Å; R423-N436 WeakPolarHBondContact CB-OD1 3.37Å; R423-N436 WeakPolarHBondContact CG-OD1 3.37Å
424G97.5Very high97Very high28 Ų2852.9 Ų52.929%0.28926%0.261SS..EExtended strand (participates in β ladder)trans61.249.2175.200000111.7R410 V435 N436R410-G424 PolarHBondContact NH2-O 3.21Å; G424-V435 WeakPolarHBondContact CA-O 3.35Å; G424-V435 PolarHBondContact N-O 3.49Å; G424-N436 PolarHBondContact N-OD1 3.34Å
425V98.1Very high97Very high0 Ų052.9 Ų52.90%026%0.26CS..EExtended strand (participates in β ladder)trans-110.2163.2175.7-610000109.8V368 L422 G434 V435V368-V425 HydrophobicContact CG2-CB 4.39Å; V368-V425 HydrophobicContact CG2-CG1 3.73Å; L422-V425 HydrophobicContact CD1-CG1 4.48Å; L422-V425 HydrophobicContact CD2-CG1 3.91Å; L422-V425 HydrophobicContact CG-CG1 3.74Å; V425-G434 CarbonylContact O-C 3.58Å; V425-G434 PolarHBondContact O-N 2.63Å; V425-V435 HydrophobicContact CG2-CG2 4.23Å; V425-V435 PolarHBondContact N-O 2.76Å; V425-V435 VanDerWaalsContact O-CG2 3.3Å; V425-V435 WeakPolarHBondContact O-CG2 3.31Å; V425-V435 PolarHBondContact O-N 3.16Å
426M98.1Very high97.1Very high3 Ų350.6 Ų50.62%0.01524%0.242CC..  trans-113.4133.5163.4179.1-178.2-73.400106.2I362 Y363 Q366 E367 E430I362-M426 HydrophobicContact CD1-CE 4.11Å; I362-M426 HydrophobicContact CG1-CE 3.98Å; Y363-M426 HydrophobicContact CD1-CE 3.96Å; Y363-M426 HydrophobicContact CD1-SD 3.49Å; Y363-M426 WeakPolarHBondContact CD1-SD 3.44Å; Y363-M426 HydrophobicContact CE1-CE 3.96Å; Y363-M426 HydrophobicContact CE1-SD 3.8Å; Q366-M426 HydrophobicContact CB-CB 3.77Å; Q366-M426 PolarHBondContact O-N 2.93Å; E367-M426 HydrophobicContact CG-CB 3.71Å; E367-M426 HydrophobicContact CG-CG 3.7Å; E367-M426 HydrophobicContact CG-SD 3.57Å; E367-M426 VanDerWaalsContact CG-SD 3.57Å; M426-E430 HydrophobicContact SD-CB 4.05Å; M426-E430 HydrophobicContact SD-CG 3.9Å
427S95.8Very high97.1Very high0 Ų039.5 Ų39.50%020%0.201CC..  trans-92.7178.5176.970.40000109.6D429 S438 D501S427-D429 CarbonylContact O-C 3.55Å; S427-D429 PolarHBondContact O-N 3.47Å; S427-S438 WeakPolarHBondContact CB-OG 3.06Å; S427-D501 WeakPolarHBondContact CB-OD2 3.46Å; S427-D501 PolarHBondContact OG-OD2 3.25Å
428P96.8Very high97.3Very high0 Ų035.7 Ų35.70%018%0.183CC..SBendtrans-47.5-32.5172.6-33.936.1000114.1W300 E430 Y440 Q499 A500 D501 L504W300-P428 HydrophobicContact CH2-CB 3.77Å; W300-P428 HydrophobicContact CH2-CG 3.75Å; W300-P428 HydrophobicContact CZ2-CB 4.42Å; W300-P428 HydrophobicContact CZ3-CB 4.48Å; W300-P428 HydrophobicContact CZ3-CG 3.95Å; P428-E430 PolarHBondContact O-N 3.23Å; P428-Y440 HydrophobicContact CG-CD1 3.42Å; P428-Y440 VanDerWaalsContact CG-CD1 3.42Å; P428-Y440 HydrophobicContact CG-CD2 4.26Å; P428-Y440 HydrophobicContact CG-CE1 3.45Å; P428-Y440 VanDerWaalsContact CG-CE1 3.45Å; P428-Y440 HydrophobicContact CG-CE2 4.29Å; P428-Y440 HydrophobicContact CG-CG 3.85Å; P428-Q499 HydrophobicContact CB-CG 4.48Å; P428-Q499 VanDerWaalsContact O-CD 3.23Å; P428-Q499 WeakPolarHBondContact O-CG 3.35Å; P428-Q499 PolarHBondContact O-NE2 3.2Å; P428-A500 WeakPolarHBondContact CB-O 3.49Å; P428-D501 HydrophobicContact CB-CB 4.25Å; P428-D501 VanDerWaalsContact CD-OD2 3.22Å; P428-D501 WeakPolarHBondContact CD-OD2 3.37Å; P428-L504 HydrophobicContact CG-CD1 4.36Å
429D96.3Very high97.3Very high0 Ų029.2 Ų29.20%015%0.153CC..  trans-73.990.4168.2-174.720.4000113.1S427 Y431 H432 E487 V497 K498S427-D429 CarbonylContact O-C 3.55Å; S427-D429 PolarHBondContact O-N 3.47Å; D429-Y431 PolarHBondContact O-N 3.33Å; D429-Y431 WeakPolarHBondContact OD1-CB 3.2Å; D429-Y431 PolarHBondContact OD1-N 3.08Å; D429-H432 PolarHBondContact O-N 3.24Å; D429-H432 IonicContact OD2-CE1 3.25Å; D429-H432 PolarHBondContact OD2-CE1 3.41Å; D429-H432 IonicContact OD2-CG 2.91Å; D429-H432 IonicContact OD2-ND1 2.65Å; D429-H432 PolarHBondContact OD2-ND1 3.46Å; D429-E487 WeakPolarHBondContact CB-OE1 3.23Å; D429-V497 HydrophobicContact CB-CG1 3.93Å; D429-V497 WeakPolarHBondContact OD2-CA 3.48Å; D429-K498 WeakPolarHBondContact OD1-CB 3.38Å; D429-K498 PolarHBondContact OD1-N 3.3Å
430E95.4Very high97.3Very high39 Ų3925.2 Ų25.218%0.18214%0.135CC..THydrogen-bonded Turntrans-65.5-5.8178.2-65.2169.5-12900114.6Y363 E367 M426 P428 H432 K498Y363-E430 HydrophobicContact CD1-CG 4.43Å; Y363-E430 HydrophobicContact CE1-CB 4.21Å; Y363-E430 HydrophobicContact CE1-CG 4.18Å; E367-E430 WeakPolarHBondContact OE1-CG 3.3Å; M426-E430 HydrophobicContact SD-CB 4.05Å; M426-E430 HydrophobicContact SD-CG 3.9Å; P428-E430 PolarHBondContact O-N 3.23Å; E430-H432 PolarHBondContact O-N 3.1Å; E430-K498 HydrophobicContact CB-CD 3.83Å; E430-K498 HydrophobicContact CG-CD 4.4Å; E430-K498 IonicContact OE1-NZ 3.5Å; E430-K498 PolarHBondContact OE1-NZ 2.99Å; E430-K498 IonicContact OE2-NZ 3.7Å; E430-K498 PolarHBondContact OE2-NZ 3.17Å
431Y95Very high97.3Very high126 Ų12623.1 Ų23.149%0.49413%0.127SC..THydrogen-bonded Turntrans-69.8-17.1169.5-67.7-16.5000112.7D429 V496 K498D429-Y431 PolarHBondContact O-N 3.33Å; D429-Y431 WeakPolarHBondContact OD1-CB 3.2Å; D429-Y431 PolarHBondContact OD1-N 3.08Å; Y431-V496 HydrophobicContact CD2-CG1 4.49Å; Y431-V496 HydrophobicContact CE2-CG1 4.21Å; Y431-K498 HydrophobicContact CD1-CB 3.99Å; Y431-K498 HydrophobicContact CD1-CD 4.48Å; Y431-K498 HydrophobicContact CD1-CG 4.39Å; Y431-K498 HydrophobicContact CD2-CB 3.78Å; Y431-K498 HydrophobicContact CE1-CB 3.98Å; Y431-K498 HydrophobicContact CE1-CD 4.29Å; Y431-K498 HydrophobicContact CE1-CG 4.01Å; Y431-K498 HydrophobicContact CE2-CB 3.76Å; Y431-K498 HydrophobicContact CE2-CG 4.38Å; Y431-K498 HydrophobicContact CG-CB 3.9Å
432H94.4Very high97.3Very high36 Ų3623.1 Ų23.117%0.16713%0.127CC..  trans-119.5102.2-178.4-62102.6000111.8D429 E430 V435 F488 E495D429-H432 PolarHBondContact O-N 3.24Å; D429-H432 IonicContact OD2-CE1 3.25Å; D429-H432 PolarHBondContact OD2-CE1 3.41Å; D429-H432 IonicContact OD2-CG 2.91Å; D429-H432 IonicContact OD2-ND1 2.65Å; D429-H432 PolarHBondContact OD2-ND1 3.46Å; E430-H432 PolarHBondContact O-N 3.1Å; H432-V435 HydrophobicContact CB-CG1 3.85Å; H432-F488 HydrophobicContact CB-CD1 4.42Å; H432-F488 HydrophobicContact CB-CE1 3.61Å; H432-F488 HydrophobicContact CB-CZ 4.02Å; H432-F488 AromaticContact CD2-CE1 3.97Å; H432-F488 AromaticContact CD2-CZ 3.63Å; H432-F488 AromaticContact CG-CE1 3.54Å; H432-F488 AromaticContact CG-CZ 3.7Å; H432-F488 AromaticContact ND1-CE1 3.88Å; H432-E495 IonicContact NE2-OE2 2.99Å
433S95.3Very high97.3Very high62 Ų6223.1 Ų23.143%0.43413%0.127SC..  trans-100.4154.6175.969.10000112.7V435S433-V435 PolarHBondContact O-N 3.1Å
434G97.1Very high97.4Very high37 Ų3719.1 Ų19.138%0.38111%0.112SC..SBendtrans68.417.9174.800000114.3V425V425-G434 CarbonylContact O-C 3.58Å; V425-G434 PolarHBondContact O-N 2.63Å
435V97.8Very high97.4Very high17 Ų1717.8 Ų17.810%0.10310%0.098CC..EExtended strand (participates in β ladder)trans-74.4162.6-177.1-58.70000111.7G424 V425 H432 S433 F488G424-V435 WeakPolarHBondContact CA-O 3.35Å; G424-V435 PolarHBondContact N-O 3.49Å; V425-V435 HydrophobicContact CG2-CG2 4.23Å; V425-V435 PolarHBondContact N-O 2.76Å; V425-V435 VanDerWaalsContact O-CG2 3.3Å; V425-V435 WeakPolarHBondContact O-CG2 3.31Å; V425-V435 PolarHBondContact O-N 3.16Å; H432-V435 HydrophobicContact CB-CG1 3.85Å; S433-V435 PolarHBondContact O-N 3.1Å; V435-F488 HydrophobicContact CB-CB 3.86Å; V435-F488 HydrophobicContact CB-CD1 4.07Å; V435-F488 HydrophobicContact CB-CD2 3.91Å; V435-F488 HydrophobicContact CB-CG 3.66Å; V435-F488 HydrophobicContact CG1-CD1 3.85Å; V435-F488 HydrophobicContact CG1-CD2 3.8Å; V435-F488 HydrophobicContact CG1-CE1 3.99Å; V435-F488 HydrophobicContact CG1-CE2 3.92Å; V435-F488 HydrophobicContact CG1-CG 3.78Å; V435-F488 HydrophobicContact CG1-CZ 4.03Å; V435-F488 HydrophobicContact CG2-CB 3.85Å; V435-F488 HydrophobicContact CG2-CD1 4.02Å; V435-F488 HydrophobicContact CG2-CG 3.92Å
436N98.3Very high97.4Very high53 Ų5318.7 Ų18.728%0.28310%0.102SC..EExtended strand (participates in β ladder)trans-110.7138.1177.8-64-53000110.1R423 G424 S438 F488 D489R423-N436 WeakPolarHBondContact CA-OD1 3.4Å; R423-N436 WeakPolarHBondContact CB-OD1 3.37Å; R423-N436 WeakPolarHBondContact CG-OD1 3.37Å; G424-N436 PolarHBondContact N-OD1 3.34Å; N436-S438 PolarHBondContact O-N 2.94Å; N436-F488 WeakPolarHBondContact O-CB 3.35Å; N436-D489 HydrophobicContact CB-CB 4.23Å; N436-D489 WeakPolarHBondContact O-CB 3.22Å; N436-D489 PolarHBondContact O-N 3.31Å
437N98.5Very high97.5Very high0 Ų019.6 Ų19.60%011%0.107CC..  trans5450.4172.9-53.2-61.1000113.1H421 L422 V439 N442 K475 P477 D489H421-N437 WeakPolarHBondContact CA-OD1 3.35Å; H421-N437 WeakPolarHBondContact CB-OD1 3.41Å; H421-N437 PolarHBondContact ND1-ND2 3.46Å; L422-N437 PolarHBondContact N-OD1 3.01Å; L422-N437 PolarHBondContact O-N 3.22Å; L422-N437 PolarHBondContact O-OD1 3.42Å; N437-V439 PolarHBondContact O-N 3.37Å; N437-V439 VanDerWaalsContact O-N 3.17Å; N437-N442 PolarHBondContact OD1-ND2 3.49Å; N437-K475 HydrophobicContact CB-CD 4.35Å; N437-P477 HydrophobicContact CB-CG 4.23Å; N437-P477 WeakPolarHBondContact O-CD 3.37Å; N437-P477 WeakPolarHBondContact O-CG 3.36Å; N437-D489 PolarHBondContact ND2-OD2 3.01Å
438S98.5Very high97.6Very high0 Ų019.8 Ų19.80%011%0.109CC..  trans-48.5124.3166158.80000109.4S427 N436 Y440 T441 N442 E487S427-S438 WeakPolarHBondContact CB-OG 3.06Å; N436-S438 PolarHBondContact O-N 2.94Å; S438-Y440 VanDerWaalsContact C-N 3.3Å; S438-Y440 PolarHBondContact O-N 3.05Å; S438-T441 WeakPolarHBondContact CB-OG1 3.46Å; S438-T441 PolarHBondContact O-N 3.47Å; S438-T441 PolarHBondContact OG-N 3.22Å; S438-T441 PolarHBondContact OG-OG1 3.3Å; S438-N442 WeakPolarHBondContact O-CB 3.27Å; S438-N442 PolarHBondContact O-N 3.13Å; S438-E487 CarbonylContact C-O 3.47Å; S438-E487 VanDerWaalsContact CA-O 3.29Å; S438-E487 WeakPolarHBondContact CA-O 3.45Å
439V98.5Very high97.7Very high0 Ų019.8 Ų19.80%011%0.109CC..Hα-helixtrans-62-42.7-177.469.20000110.5N437 V443 V476 P477 H485 E487 V502 L505N437-V439 PolarHBondContact O-N 3.37Å; N437-V439 VanDerWaalsContact O-N 3.17Å; V439-V443 WeakPolarHBondContact O-CB 3.26Å; V439-V443 VanDerWaalsContact O-CG2 3.27Å; V439-V443 WeakPolarHBondContact O-CG2 3.43Å; V439-V443 PolarHBondContact O-N 3.25Å; V439-V476 HydrophobicContact CG2-CG1 3.63Å; V439-P477 HydrophobicContact CB-CG 4.4Å; V439-H485 HydrophobicContact CG2-CB 4.09Å; V439-E487 PolarHBondContact N-O 2.77Å; V439-V502 HydrophobicContact CG1-CB 4.28Å; V439-V502 HydrophobicContact CG1-CG1 4.19Å; V439-V502 HydrophobicContact CG1-CG2 3.56Å; V439-L505 HydrophobicContact CG1-CD1 4.24Å; V439-L505 HydrophobicContact CG2-CD1 3.82Å
440Y98.5Very high97.8Very high0 Ų025.1 Ų25.10%013%0.129CC..Hα-helixtrans-58.2-53.2174.9173.8-94.4000111.6W300 H369 P428 S438 N442 V443 L444 D501 L504 V509W300-Y440 HydrophobicContact CZ3-CE1 4.26Å; W300-Y440 AromaticContact CZ3-CZ 3.87Å; W300-Y440 VanDerWaalsContact CZ3-OH 3.28Å; W300-Y440 WeakPolarHBondContact CZ3-OH 3.28Å; H369-Y440 HydrophobicContact CB-CD1 4.15Å; H369-Y440 HydrophobicContact CB-CE1 3.76Å; H369-Y440 AromaticContact CG-CE1 3.72Å; H369-Y440 AromaticContact ND1-CE1 3.64Å; P428-Y440 HydrophobicContact CG-CD1 3.42Å; P428-Y440 VanDerWaalsContact CG-CD1 3.42Å; P428-Y440 HydrophobicContact CG-CD2 4.26Å; P428-Y440 HydrophobicContact CG-CE1 3.45Å; P428-Y440 VanDerWaalsContact CG-CE1 3.45Å; P428-Y440 HydrophobicContact CG-CE2 4.29Å; P428-Y440 HydrophobicContact CG-CG 3.85Å; S438-Y440 VanDerWaalsContact C-N 3.3Å; S438-Y440 PolarHBondContact O-N 3.05Å; Y440-N442 PolarHBondContact O-N 3.14Å; Y440-V443 PolarHBondContact O-N 3.43Å; Y440-L444 HydrophobicContact CD1-CD1 4.07Å; Y440-L444 HydrophobicContact CE1-CD1 3.33Å; Y440-L444 HydrophobicContact CE1-CG 4.33Å; Y440-L444 HydrophobicContact CE2-CD1 4.32Å; Y440-L444 VanDerWaalsContact CZ-CD1 3.46Å; Y440-L444 PolarHBondContact O-N 3.33Å; Y440-L444 WeakPolarHBondContact OH-CD1 3.39Å; Y440-D501 WeakPolarHBondContact CB-OD1 3.34Å; Y440-L504 HydrophobicContact CD2-CB 3.88Å; Y440-L504 HydrophobicContact CD2-CD1 3.88Å; Y440-L504 HydrophobicContact CD2-CG 4.45Å; Y440-L504 HydrophobicContact CE2-CB 3.73Å; Y440-L504 HydrophobicContact CE2-CD1 3.37Å; Y440-L504 HydrophobicContact CE2-CG 4.18Å; Y440-V509 HydrophobicContact CD2-CG2 4.25Å; Y440-V509 HydrophobicContact CE2-CG2 3.49Å; Y440-V509 VanDerWaalsContact CE2-CG2 3.49Å
441T98.6Very high98Very high0 Ų023.4 Ų23.40%012%0.121CC..Hα-helixtrans-63.7-44.5-176.2-52.40000110.8V368 H369 W407 L422 S438 V443 L444 V445V368-T441 HydrophobicContact CG2-CG2 4.21Å; H369-T441 HydrophobicContact CB-CG2 4.09Å; W407-T441 HydrophobicContact CH2-CG2 4.24Å; L422-T441 HydrophobicContact CD2-CG2 3.4Å; S438-T441 WeakPolarHBondContact CB-OG1 3.46Å; S438-T441 PolarHBondContact O-N 3.47Å; S438-T441 PolarHBondContact OG-N 3.22Å; S438-T441 PolarHBondContact OG-OG1 3.3Å; T441-V443 VanDerWaalsContact C-N 3.34Å; T441-V443 PolarHBondContact O-N 3.45Å; T441-L444 WeakPolarHBondContact O-CB 3.41Å; T441-L444 PolarHBondContact O-N 3.43Å; T441-L444 VanDerWaalsContact O-N 3.16Å; T441-V445 WeakPolarHBondContact O-CG2 3.24Å; T441-V445 PolarHBondContact O-N 3.45Å
442N98.8Very high98.1Very high0 Ų017.4 Ų17.40%010%0.097CC..Hα-helixtrans-67.8-34.3-177.8-74.413.6000112.2L422 N437 S438 Y440 V445 Q446 I474 K475L422-N442 VanDerWaalsContact CB-OD1 3.25Å; L422-N442 WeakPolarHBondContact CB-OD1 3.46Å; L422-N442 WeakPolarHBondContact CD2-OD1 3.09Å; N437-N442 PolarHBondContact OD1-ND2 3.49Å; S438-N442 WeakPolarHBondContact O-CB 3.27Å; S438-N442 PolarHBondContact O-N 3.13Å; Y440-N442 PolarHBondContact O-N 3.14Å; N442-V445 WeakPolarHBondContact O-CB 3.36Å; N442-V445 PolarHBondContact O-N 2.8Å; N442-Q446 WeakPolarHBondContact O-CG 3.34Å; N442-Q446 PolarHBondContact O-N 2.9Å; N442-I474 HydrophobicContact CB-CD1 3.98Å; N442-I474 HydrophobicContact CB-CG1 4.2Å; N442-K475 WeakPolarHBondContact CB-O 3.37Å; N442-K475 PolarHBondContact ND2-O 3.22Å
443V98.8Very high98.3Very high0 Ų015.9 Ų15.90%09%0.091CC..Hα-helixtrans-65.8-40.4172169.40000111.3V439 Y440 T441 V445 Q446 N447 V476 L505 V509 F511V439-V443 WeakPolarHBondContact O-CB 3.26Å; V439-V443 VanDerWaalsContact O-CG2 3.27Å; V439-V443 WeakPolarHBondContact O-CG2 3.43Å; V439-V443 PolarHBondContact O-N 3.25Å; Y440-V443 PolarHBondContact O-N 3.43Å; T441-V443 VanDerWaalsContact C-N 3.34Å; T441-V443 PolarHBondContact O-N 3.45Å; V443-V445 VanDerWaalsContact C-N 3.28Å; V443-V445 PolarHBondContact O-N 3.25Å; V443-Q446 WeakPolarHBondContact O-CB 3.43Å; V443-Q446 PolarHBondContact O-N 3.4Å; V443-Q446 VanDerWaalsContact O-N 3.12Å; V443-N447 PolarHBondContact O-N 3.1Å; V443-V476 HydrophobicContact CG2-CG1 4.07Å; V443-V476 HydrophobicContact CG2-CG2 4.27Å; V443-L505 HydrophobicContact CB-CD2 3.86Å; V443-L505 HydrophobicContact CG1-CD2 3.91Å; V443-L505 HydrophobicContact CG2-CD2 3.82Å; V443-V509 HydrophobicContact CG1-CG1 3.68Å; V443-F511 HydrophobicContact CB-CD2 4.34Å; V443-F511 HydrophobicContact CG1-CB 3.97Å; V443-F511 HydrophobicContact CG1-CD2 3.67Å; V443-F511 HydrophobicContact CG1-CE2 4.49Å; V443-F511 HydrophobicContact CG1-CG 4.03Å; V443-F511 HydrophobicContact CG2-CD2 3.64Å; V443-F511 HydrophobicContact CG2-CE2 3.71Å; V443-F511 HydrophobicContact CG2-CG 4.11Å; V443-F511 HydrophobicContact CG2-CZ 4.24Å
444L98.6Very high98.5Very high1 Ų114.4 Ų14.41%0.0058%0.082CC..Hα-helixtrans-61.2-36.3173.1-82.4178.5000112.8H369 Y440 T441 N447 S448 V509H369-L444 HydrophobicContact CB-CD1 4.11Å; Y440-L444 HydrophobicContact CD1-CD1 4.07Å; Y440-L444 HydrophobicContact CE1-CD1 3.33Å; Y440-L444 HydrophobicContact CE1-CG 4.33Å; Y440-L444 HydrophobicContact CE2-CD1 4.32Å; Y440-L444 VanDerWaalsContact CZ-CD1 3.46Å; Y440-L444 PolarHBondContact O-N 3.33Å; Y440-L444 WeakPolarHBondContact OH-CD1 3.39Å; T441-L444 WeakPolarHBondContact O-CB 3.41Å; T441-L444 PolarHBondContact O-N 3.43Å; T441-L444 VanDerWaalsContact O-N 3.16Å; L444-N447 PolarHBondContact O-N 2.75Å; L444-S448 VanDerWaalsContact O-CB 3.28Å; L444-S448 WeakPolarHBondContact O-CB 3.32Å; L444-S448 PolarHBondContact O-N 3.36Å; L444-S448 PolarHBondContact O-OG 3.44Å; L444-V509 HydrophobicContact CD2-CG1 3.98Å; L444-V509 HydrophobicContact CD2-CG2 4.07Å; L444-V509 HydrophobicContact CG-CG1 4.3Å; L444-V509 HydrophobicContact CG-CG2 4.45Å
445V98.8Very high98.5Very high0 Ų012.7 Ų12.70%06%0.064CC..Hα-helixtrans-61.2-46.4171.7178.50000110.7W407 L422 T441 N442 V443 N447 S448 L449 V470 I474W407-V445 HydrophobicContact CB-CG1 3.93Å; W407-V445 HydrophobicContact CD2-CB 4.38Å; W407-V445 HydrophobicContact CD2-CG1 4.34Å; W407-V445 HydrophobicContact CD2-CG2 3.58Å; W407-V445 HydrophobicContact CE3-CG2 3.54Å; W407-V445 HydrophobicContact CG-CB 4.44Å; W407-V445 HydrophobicContact CG-CG1 3.97Å; W407-V445 HydrophobicContact CG-CG2 4.11Å; W407-V445 HydrophobicContact CH2-CG2 4.12Å; W407-V445 HydrophobicContact CZ2-CG2 4.15Å; W407-V445 HydrophobicContact CZ3-CG2 3.83Å; L422-V445 HydrophobicContact CD2-CG2 4.35Å; T441-V445 WeakPolarHBondContact O-CG2 3.24Å; T441-V445 PolarHBondContact O-N 3.45Å; N442-V445 WeakPolarHBondContact O-CB 3.36Å; N442-V445 PolarHBondContact O-N 2.8Å; V443-V445 VanDerWaalsContact C-N 3.28Å; V443-V445 PolarHBondContact O-N 3.25Å; V445-N447 PolarHBondContact O-N 3.38Å; V445-S448 PolarHBondContact O-N 2.91Å; V445-L449 HydrophobicContact CG1-CD1 3.66Å; V445-L449 HydrophobicContact CG1-CG 4.26Å; V445-L449 WeakPolarHBondContact O-CB 3.46Å; V445-L449 VanDerWaalsContact O-CG 3.31Å; V445-L449 WeakPolarHBondContact O-CG 3.14Å; V445-L449 PolarHBondContact O-N 2.86Å; V445-V470 HydrophobicContact CG1-CG1 4.34Å; V445-I474 HydrophobicContact CB-CD1 3.75Å; V445-I474 HydrophobicContact CG1-CD1 3.71Å; V445-I474 HydrophobicContact CG2-CD1 4.02Å
446Q98.6Very high98.5Very high18 Ų1811.9 Ų11.98%0.0846%0.059CC..Hα-helixtrans-57.5-48.7177.4-65.5-170.5-52.200111.6N442 V443 R450 A471 I474N442-Q446 WeakPolarHBondContact O-CG 3.34Å; N442-Q446 PolarHBondContact O-N 2.9Å; V443-Q446 WeakPolarHBondContact O-CB 3.43Å; V443-Q446 PolarHBondContact O-N 3.4Å; V443-Q446 VanDerWaalsContact O-N 3.12Å; Q446-R450 WeakPolarHBondContact O-CB 3.46Å; Q446-R450 VanDerWaalsContact O-CG 3.29Å; Q446-R450 WeakPolarHBondContact O-CG 3.48Å; Q446-R450 PolarHBondContact O-N 2.94Å; Q446-R450 VanDerWaalsContact O-N 3.07Å; Q446-A471 WeakPolarHBondContact CG-O 3.46Å; Q446-A471 PolarHBondContact NE2-O 2.9Å; Q446-I474 HydrophobicContact CG-CG2 3.31Å
447N98.5Very high98.5Very high22 Ų2215.3 Ų15.312%0.1187%0.074CC..Hα-helixtrans-64.7-46.8-178.3-68.4-5.8000110.9V443 L444 V445 L449 R450 F451 P510V443-N447 PolarHBondContact O-N 3.1Å; L444-N447 PolarHBondContact O-N 2.75Å; V445-N447 PolarHBondContact O-N 3.38Å; N447-L449 PolarHBondContact O-N 3.36Å; N447-R450 PolarHBondContact O-N 3.45Å; N447-F451 WeakPolarHBondContact O-CB 3.48Å; N447-F451 PolarHBondContact O-N 3.01Å; N447-P510 PolarHBondContact ND2-O 2.58Å
448S98.8Very high98.4Very high4 Ų417.4 Ų17.43%0.0289%0.085CC..Hα-helixtrans-57.9-47.7-179.9-58.70000112.2W407 L444 V445 F451 A452W407-S448 PolarHBondContact NE1-OG 2.9Å; L444-S448 VanDerWaalsContact O-CB 3.28Å; L444-S448 WeakPolarHBondContact O-CB 3.32Å; L444-S448 PolarHBondContact O-N 3.36Å; L444-S448 PolarHBondContact O-OG 3.44Å; V445-S448 PolarHBondContact O-N 2.91Å; S448-F451 PolarHBondContact O-N 3.34Å; S448-A452 WeakPolarHBondContact O-CB 3.15Å; S448-A452 PolarHBondContact O-N 3.39Å
449L98.9Very high98.3Very high0 Ų018.4 Ų18.40%09%0.09CC..Hα-helixtrans-70.3-37.3-177.9-68.5174.5000112.5A404 W407 V445 N447 A453 W467 V470 A471A404-L449 HydrophobicContact CB-CD2 3.75Å; W407-L449 HydrophobicContact CB-CD2 4.29Å; V445-L449 HydrophobicContact CG1-CD1 3.66Å; V445-L449 HydrophobicContact CG1-CG 4.26Å; V445-L449 WeakPolarHBondContact O-CB 3.46Å; V445-L449 VanDerWaalsContact O-CG 3.31Å; V445-L449 WeakPolarHBondContact O-CG 3.14Å; V445-L449 PolarHBondContact O-N 2.86Å; N447-L449 PolarHBondContact O-N 3.36Å; L449-A453 WeakPolarHBondContact O-CB 3.35Å; L449-A453 PolarHBondContact O-N 3.3Å; L449-W467 HydrophobicContact CB-CB 4.45Å; L449-W467 HydrophobicContact CD2-CB 4.16Å; L449-W467 HydrophobicContact CD2-CG 4.16Å; L449-V470 HydrophobicContact CD1-CB 3.71Å; L449-V470 HydrophobicContact CD1-CG1 3.49Å; L449-V470 VanDerWaalsContact CD1-CG1 3.49Å; L449-A471 HydrophobicContact CB-CB 3.95Å; L449-A471 HydrophobicContact CD1-CB 4.31Å
450R98.5Very high98.3Very high112 Ų11221.7 Ų21.742%0.42312%0.124SC..Hα-helixtrans-68-42.8175.3-75.1176.4174.5169.21.1111.5Q446 N447 A453 A454 L468 A471 D472Q446-R450 WeakPolarHBondContact O-CB 3.46Å; Q446-R450 VanDerWaalsContact O-CG 3.29Å; Q446-R450 WeakPolarHBondContact O-CG 3.48Å; Q446-R450 PolarHBondContact O-N 2.94Å; Q446-R450 VanDerWaalsContact O-N 3.07Å; N447-R450 PolarHBondContact O-N 3.45Å; R450-A453 PolarHBondContact O-N 2.96Å; R450-A454 WeakPolarHBondContact O-CB 3.23Å; R450-A454 PolarHBondContact O-N 3.49Å; R450-L468 HydrophobicContact CG-CD2 4.48Å; R450-A471 HydrophobicContact CG-CB 4Å; R450-D472 IonicContact CZ-OD1 3.52Å; R450-D472 IonicContact NE-OD1 3.72Å; R450-D472 IonicContact NH2-OD1 3.65Å; R450-D472 PolarHBondContact NH2-OD1 2.97Å
451F98.5Very high98.3Very high3 Ų324.9 Ų24.91%0.01314%0.141CC..Hα-helixtrans-62.8-45.5174.6174.2-117.7000111.3V375 F378 E379 Y382 F391 V400 N447 S448 A453 A454 L455V375-F451 HydrophobicContact CG1-CD1 3.7Å; V375-F451 HydrophobicContact CG1-CE1 4.39Å; F378-F451 HydrophobicContact CB-CE1 4.14Å; E379-F451 HydrophobicContact CB-CB 4.48Å; E379-F451 HydrophobicContact CB-CD1 3.93Å; E379-F451 HydrophobicContact CB-CD2 3.84Å; E379-F451 HydrophobicContact CB-CE1 4.06Å; E379-F451 HydrophobicContact CB-CE2 4.01Å; E379-F451 HydrophobicContact CB-CG 3.81Å; E379-F451 HydrophobicContact CB-CZ 4.12Å; E379-F451 HydrophobicContact CG-CB 4.37Å; E379-F451 HydrophobicContact CG-CD2 3.65Å; E379-F451 HydrophobicContact CG-CE2 4.07Å; E379-F451 HydrophobicContact CG-CG 3.93Å; Y382-F451 AromaticContact CD1-CE2 3.9Å; Y382-F451 HydrophobicContact CD1-CE2 3.9Å; Y382-F451 HydrophobicContact CG-CE2 4.33Å; F391-F451 HydrophobicContact CE1-CZ 4.26Å; F391-F451 HydrophobicContact CZ-CZ 4.44Å; V400-F451 HydrophobicContact CG1-CD1 3.97Å; V400-F451 HydrophobicContact CG1-CE1 4.02Å; V400-F451 HydrophobicContact CG2-CD1 4.35Å; V400-F451 HydrophobicContact CG2-CE1 3.71Å; N447-F451 WeakPolarHBondContact O-CB 3.48Å; N447-F451 PolarHBondContact O-N 3.01Å; S448-F451 PolarHBondContact O-N 3.34Å; F451-A453 VanDerWaalsContact C-N 3.3Å; F451-A453 PolarHBondContact O-N 3.47Å; F451-A454 PolarHBondContact O-N 3.01Å; F451-L455 HydrophobicContact CE1-CD2 4.15Å; F451-L455 HydrophobicContact CE2-CB 4.22Å; F451-L455 HydrophobicContact CZ-CB 4.31Å; F451-L455 HydrophobicContact CZ-CD2 3.91Å; F451-L455 VanDerWaalsContact O-CB 3.31Å; F451-L455 WeakPolarHBondContact O-CB 3.41Å; F451-L455 PolarHBondContact O-N 2.95Å
452A98.8Very high98.2Very high0 Ų030.1 Ų30.10%018%0.175CC..Hα-helixtrans-56.7-43.617600000112.1V400 A404 S448 A456 W467V400-A452 HydrophobicContact CG1-CB 3.67Å; A404-A452 HydrophobicContact CB-CB 3.83Å; S448-A452 WeakPolarHBondContact O-CB 3.15Å; S448-A452 PolarHBondContact O-N 3.39Å; A452-A456 VanDerWaalsContact O-CB 3.27Å; A452-A456 WeakPolarHBondContact O-CB 3.29Å; A452-A456 PolarHBondContact O-N 3.22Å; A452-W467 HydrophobicContact CB-CE3 3.88Å; A452-W467 HydrophobicContact CB-CH2 4.37Å; A452-W467 HydrophobicContact CB-CZ3 3.77Å
453A98.7Very high98.1Very high5 Ų533.4 Ų33.44%0.04119%0.192CC..Hα-helixtrans-65.2-43.7175.900000112.8L449 R450 F451 A456 Q457 I463 W467 L468L449-A453 WeakPolarHBondContact O-CB 3.35Å; L449-A453 PolarHBondContact O-N 3.3Å; R450-A453 PolarHBondContact O-N 2.96Å; F451-A453 VanDerWaalsContact C-N 3.3Å; F451-A453 PolarHBondContact O-N 3.47Å; A453-A456 PolarHBondContact O-N 3.38Å; A453-Q457 PolarHBondContact O-N 3.15Å; A453-Q457 VanDerWaalsContact O-N 3.07Å; A453-I463 HydrophobicContact CB-CG2 3.68Å; A453-W467 HydrophobicContact CB-CE3 4.45Å; A453-L468 HydrophobicContact CB-CD2 3.7Å; A453-L468 HydrophobicContact CB-CG 4.13Å
454A97.8Very high98.1Very high30 Ų3036 Ų3625%0.24821%0.209CC..Hα-helixtrans-66.1-42.4178.300000112.1R450 F451 Q457 D458R450-A454 WeakPolarHBondContact O-CB 3.23Å; R450-A454 PolarHBondContact O-N 3.49Å; F451-A454 PolarHBondContact O-N 3.01Å; A454-Q457 WeakPolarHBondContact O-CB 3.26Å; A454-Q457 PolarHBondContact O-N 2.94Å; A454-D458 PolarHBondContact O-N 2.7Å
455L98.2Very high98Very high1 Ų141 Ų411%0.00524%0.244CC..Hα-helixtrans-66-43.4176.8-179.262.8000111.1Y382 F391 W397 V400 F451 Q457 D458 L459Y382-L455 HydrophobicContact CD2-CD1 4.33Å; Y382-L455 HydrophobicContact CE1-CD1 4.32Å; Y382-L455 HydrophobicContact CE2-CD1 4.14Å; F391-L455 HydrophobicContact CB-CD1 4.42Å; F391-L455 HydrophobicContact CD1-CD1 4.17Å; F391-L455 HydrophobicContact CD1-CD2 3.41Å; F391-L455 VanDerWaalsContact CD1-CD2 3.41Å; F391-L455 HydrophobicContact CD1-CG 4.4Å; F391-L455 HydrophobicContact CD2-CD1 4.49Å; F391-L455 HydrophobicContact CE1-CD2 3.74Å; F391-L455 HydrophobicContact CG-CD1 4.09Å; F391-L455 HydrophobicContact CG-CD2 4.14Å; W397-L455 HydrophobicContact CE3-CD2 3.82Å; W397-L455 HydrophobicContact CE3-CG 4.05Å; W397-L455 HydrophobicContact CZ3-CB 4.44Å; W397-L455 HydrophobicContact CZ3-CD2 4.31Å; W397-L455 HydrophobicContact CZ3-CG 4.33Å; V400-L455 HydrophobicContact CB-CD2 4.25Å; V400-L455 HydrophobicContact CG1-CD2 4.18Å; V400-L455 HydrophobicContact CG2-CD2 4.12Å; F451-L455 HydrophobicContact CE1-CD2 4.15Å; F451-L455 HydrophobicContact CE2-CB 4.22Å; F451-L455 HydrophobicContact CZ-CB 4.31Å; F451-L455 HydrophobicContact CZ-CD2 3.91Å; F451-L455 VanDerWaalsContact O-CB 3.31Å; F451-L455 WeakPolarHBondContact O-CB 3.41Å; F451-L455 PolarHBondContact O-N 2.95Å; L455-Q457 VanDerWaalsContact C-N 3.27Å; L455-Q457 PolarHBondContact O-N 3.26Å; L455-D458 PolarHBondContact O-N 3.15Å; L455-D458 VanDerWaalsContact O-N 3.16Å; L455-L459 HydrophobicContact CD1-CD1 4.04Å; L455-L459 HydrophobicContact CD1-CG 4.06Å; L455-L459 HydrophobicContact CD2-CD1 4.47Å; L455-L459 HydrophobicContact CG-CD1 3.87Å; L455-L459 HydrophobicContact CG-CG 4.27Å; L455-L459 WeakPolarHBondContact O-CB 3.26Å; L455-L459 VanDerWaalsContact O-CG 3.24Å; L455-L459 WeakPolarHBondContact O-CG 3.29Å; L455-L459 PolarHBondContact O-N 3.01Å
456A98.4Very high97.9Very high0 Ų045.4 Ų45.40%026%0.264CS..Hα-helixtrans-55.4-44.4173.600000111.7W397 A452 A453 L459 G460 L461 I463 W467W397-A456 HydrophobicContact CH2-CB 3.58Å; W397-A456 HydrophobicContact CZ2-CB 4.36Å; W397-A456 HydrophobicContact CZ3-CB 3.98Å; A452-A456 VanDerWaalsContact O-CB 3.27Å; A452-A456 WeakPolarHBondContact O-CB 3.29Å; A452-A456 PolarHBondContact O-N 3.22Å; A453-A456 PolarHBondContact O-N 3.38Å; A456-L459 CarbonylContact O-C 3.48Å; A456-L459 PolarHBondContact O-N 3.05Å; A456-G460 PolarHBondContact O-N 3.03Å; A456-L461 HydrophobicContact CB-CB 4.27Å; A456-L461 PolarHBondContact O-N 3.18Å; A456-I463 HydrophobicContact CB-CG1 3.94Å; A456-W467 HydrophobicContact CB-CZ3 4.44Å
457Q97.3Very high97.9Very high126 Ų12645 Ų4559%0.58926%0.262SS*.Hα-helixtrans-58.5-48.4175.8-169.11782300111.8A453 A454 L455 L459 G460 I463A453-Q457 PolarHBondContact O-N 3.15Å; A453-Q457 VanDerWaalsContact O-N 3.07Å; A454-Q457 WeakPolarHBondContact O-CB 3.26Å; A454-Q457 PolarHBondContact O-N 2.94Å; L455-Q457 VanDerWaalsContact C-N 3.27Å; L455-Q457 PolarHBondContact O-N 3.26Å; Q457-L459 VanDerWaalsContact C-N 3.26Å; Q457-L459 PolarHBondContact O-N 3.31Å; Q457-G460 PolarHBondContact O-N 3.17Å; Q457-G460 VanDerWaalsContact O-N 3.09Å; Q457-I463 HydrophobicContact CB-CD1 4.01Å
458D96.3Very high97.9Very high43 Ų4347.4 Ų47.423%0.2327%0.274CS..Hα-helixtrans-67-28.3-179.6-71.9-1.4000112.5Y382 A454 L455 R606Y382-D458 WeakPolarHBondContact OH-CB 3.47Å; Y382-D458 PolarHBondContact OH-OD2 3.25Å; A454-D458 PolarHBondContact O-N 2.7Å; L455-D458 PolarHBondContact O-N 3.15Å; L455-D458 VanDerWaalsContact O-N 3.16Å; D458-R606 IonicContact OD1-CZ 3.01Å; D458-R606 IonicContact OD1-NH2 2.67Å; D458-R606 PolarHBondContact OD1-NH2 3.04Å; D458-R606 IonicContact OD2-CZ 3.63Å; D458-R606 IonicContact OD2-NH2 2.94Å; D458-R606 PolarHBondContact OD2-NH2 3.16Å
459L97.2Very high97.9Very high22 Ų2249.1 Ų49.112%0.11529%0.289CS..Hα-helixtrans-84.3-8.1174.4-64.6-180000113.5L388 F391 R392 W397 L455 A456 Q457 L461L388-L459 HydrophobicContact CD2-CD2 4Å; F391-L459 HydrophobicContact CB-CD1 4.26Å; F391-L459 HydrophobicContact CB-CD2 4.44Å; R392-L459 HydrophobicContact CG-CD2 3.51Å; W397-L459 HydrophobicContact CB-CD1 3.95Å; W397-L459 HydrophobicContact CD2-CD1 4.01Å; W397-L459 HydrophobicContact CE3-CD1 3.93Å; W397-L459 HydrophobicContact CG-CD1 4.01Å; L455-L459 HydrophobicContact CD1-CD1 4.04Å; L455-L459 HydrophobicContact CD1-CG 4.06Å; L455-L459 HydrophobicContact CD2-CD1 4.47Å; L455-L459 HydrophobicContact CG-CD1 3.87Å; L455-L459 HydrophobicContact CG-CG 4.27Å; L455-L459 WeakPolarHBondContact O-CB 3.26Å; L455-L459 VanDerWaalsContact O-CG 3.24Å; L455-L459 WeakPolarHBondContact O-CG 3.29Å; L455-L459 PolarHBondContact O-N 3.01Å; A456-L459 CarbonylContact O-C 3.48Å; A456-L459 PolarHBondContact O-N 3.05Å; Q457-L459 VanDerWaalsContact C-N 3.26Å; Q457-L459 PolarHBondContact O-N 3.31Å; L459-L461 VanDerWaalsContact C-N 3.33Å; L459-L461 HydrophobicContact CB-CD1 3.85Å; L459-L461 HydrophobicContact CB-CG 3.94Å; L459-L461 HydrophobicContact CD1-CD1 4.04Å
460G97.4Very high97.9Very high69 Ų6949.1 Ų49.171%0.71129%0.289SS*.THydrogen-bonded Turntrans71.926.4-176.300000113.7A456 Q457A456-G460 PolarHBondContact O-N 3.03Å; Q457-G460 PolarHBondContact O-N 3.17Å; Q457-G460 VanDerWaalsContact O-N 3.09Å
461L97.9Very high97.9Very high67 Ų6743.8 Ų43.835%0.35127%0.269SS..  trans-97.9155.5-179.1-65.1174.6000111.4W397 A456 L459W397-L461 HydrophobicContact CD2-CD1 3.81Å; W397-L461 VanDerWaalsContact CE2-CD1 3.41Å; W397-L461 HydrophobicContact CG-CD1 4.02Å; W397-L461 HydrophobicContact CZ2-CD1 3.88Å; A456-L461 HydrophobicContact CB-CB 4.27Å; A456-L461 PolarHBondContact O-N 3.18Å; L459-L461 VanDerWaalsContact C-N 3.33Å; L459-L461 HydrophobicContact CB-CD1 3.85Å; L459-L461 HydrophobicContact CB-CG 3.94Å; L459-L461 HydrophobicContact CD1-CD1 4.04Å
462P97.2Very high97.9Very high110 Ų11048.5 Ų48.571%0.71429%0.294SS*.  trans-63.6143.3175.327.2-34.7000111.3P464P462-P464 WeakPolarHBondContact O-CD 3.18Å
463I97.8Very high97.9Very high68 Ų6853.3 Ų53.335%0.34932%0.315SS..  trans-105.9108.7177.7-53.2169.1000108.1A453 A456 Q457 S465 W467A453-I463 HydrophobicContact CB-CG2 3.68Å; A456-I463 HydrophobicContact CB-CG1 3.94Å; Q457-I463 HydrophobicContact CB-CD1 4.01Å; I463-S465 PolarHBondContact O-N 3.38Å; I463-W467 HydrophobicContact CG2-CE3 4.47Å
464P97.7Very high97.9Very high56 Ų5653.4 Ų53.436%0.36432%0.315SS..  trans-57.5123.5172.3-26.336.5000111.1P462 Q466 W467P462-P464 WeakPolarHBondContact O-CD 3.18Å; P464-Q466 PolarHBondContact O-N 3.42Å; P464-Q466 VanDerWaalsContact O-N 3.14Å; P464-W467 HydrophobicContact CB-CD2 4.1Å; P464-W467 HydrophobicContact CB-CG 4.15Å; P464-W467 HydrophobicContact CG-CD2 4.02Å; P464-W467 HydrophobicContact CG-CE3 4.45Å; P464-W467 HydrophobicContact CG-CH2 4.14Å; P464-W467 HydrophobicContact CG-CZ2 3.69Å; P464-W467 HydrophobicContact CG-CZ3 4.49Å; P464-W467 WeakPolarHBondContact O-CB 3.29Å; P464-W467 PolarHBondContact O-N 2.96Å; P464-W467 VanDerWaalsContact O-N 3.08Å
465S96.3Very high97.9Very high105 Ų10553.3 Ų53.373%0.73431%0.309SS*.Hα-helixtrans-61.9-25.6-177.658.20000113.2I463 W467 A469I463-S465 PolarHBondContact O-N 3.38Å; S465-W467 VanDerWaalsContact C-N 3.25Å; S465-W467 PolarHBondContact O-N 3.18Å; S465-A469 WeakPolarHBondContact O-CB 3.29Å; S465-A469 PolarHBondContact O-N 3.28Å; S465-A469 VanDerWaalsContact O-N 3.16Å
466Q97.8Very high97.9Very high93 Ų9354.5 Ų54.544%0.43532%0.316SS..Hα-helixtrans-59.9-34.4176.1-175.2176.21.900112.2C408 P464 A469 V470C408-Q466 HydrophobicContact CB-CG 4.33Å; C408-Q466 PolarHBondContact O-NE2 3.18Å; P464-Q466 PolarHBondContact O-N 3.42Å; P464-Q466 VanDerWaalsContact O-N 3.14Å; Q466-A469 PolarHBondContact O-N 3.47Å; Q466-V470 HydrophobicContact CG-CG2 4Å; Q466-V470 WeakPolarHBondContact O-CB 3.48Å; Q466-V470 WeakPolarHBondContact O-CG2 3.34Å; Q466-V470 PolarHBondContact O-N 3.37Å
467W98.5Very high97.9Very high9 Ų954.9 Ų54.93%0.03432%0.318CS..Hα-helixtrans-60.8-51.9-177.1-65.1-4.6000111.6W397 R401 A404 L449 A452 A453 A456 I463 P464 S465 V470 A471W397-W467 AromaticContact CH2-CH2 3.6Å; W397-W467 HydrophobicContact CH2-CH2 3.6Å; W397-W467 AromaticContact CH2-CZ3 3.81Å; W397-W467 HydrophobicContact CH2-CZ3 3.81Å; W397-W467 HydrophobicContact CZ2-CH2 4.11Å; R401-W467 HydrophobicContact CG-CH2 4.18Å; R401-W467 HydrophobicContact CG-CZ2 4.12Å; A404-W467 HydrophobicContact CB-CD2 4.17Å; A404-W467 HydrophobicContact CB-CH2 4.46Å; A404-W467 HydrophobicContact CB-CZ2 3.94Å; L449-W467 HydrophobicContact CB-CB 4.45Å; L449-W467 HydrophobicContact CD2-CB 4.16Å; L449-W467 HydrophobicContact CD2-CG 4.16Å; A452-W467 HydrophobicContact CB-CE3 3.88Å; A452-W467 HydrophobicContact CB-CH2 4.37Å; A452-W467 HydrophobicContact CB-CZ3 3.77Å; A453-W467 HydrophobicContact CB-CE3 4.45Å; A456-W467 HydrophobicContact CB-CZ3 4.44Å; I463-W467 HydrophobicContact CG2-CE3 4.47Å; P464-W467 HydrophobicContact CB-CD2 4.1Å; P464-W467 HydrophobicContact CB-CG 4.15Å; P464-W467 HydrophobicContact CG-CD2 4.02Å; P464-W467 HydrophobicContact CG-CE3 4.45Å; P464-W467 HydrophobicContact CG-CH2 4.14Å; P464-W467 HydrophobicContact CG-CZ2 3.69Å; P464-W467 HydrophobicContact CG-CZ3 4.49Å; P464-W467 WeakPolarHBondContact O-CB 3.29Å; P464-W467 PolarHBondContact O-N 2.96Å; P464-W467 VanDerWaalsContact O-N 3.08Å; S465-W467 VanDerWaalsContact C-N 3.25Å; S465-W467 PolarHBondContact O-N 3.18Å; W467-V470 PolarHBondContact O-N 2.87Å; W467-A471 WeakPolarHBondContact O-CB 3.25Å; W467-A471 PolarHBondContact O-N 3.48Å
468L98.6Very high97.9Very high72 Ų7252.9 Ų52.938%0.37731%0.308SS..Hα-helixtrans-69.1-36.1177.8-63.1-180000111.6R450 A453 V470 A471 D472R450-L468 HydrophobicContact CG-CD2 4.48Å; A453-L468 HydrophobicContact CB-CD2 3.7Å; A453-L468 HydrophobicContact CB-CG 4.13Å; L468-V470 VanDerWaalsContact C-N 3.34Å; L468-V470 PolarHBondContact O-N 3.32Å; L468-A471 PolarHBondContact O-N 3.36Å; L468-D472 WeakPolarHBondContact O-CB 3.23Å; L468-D472 VanDerWaalsContact O-CG 3.26Å; L468-D472 PolarHBondContact O-N 3.35Å
469A98.5Very high97.9Very high40 Ų4052.6 Ų52.633%0.33131%0.306SS..Hα-helixtrans-62.1-40176.300000112.8S465 Q466 K473S465-A469 WeakPolarHBondContact O-CB 3.29Å; S465-A469 PolarHBondContact O-N 3.28Å; S465-A469 VanDerWaalsContact O-N 3.16Å; Q466-A469 PolarHBondContact O-N 3.47Å; A469-K473 WeakPolarHBondContact O-CB 3.36Å; A469-K473 PolarHBondContact O-N 3.1Å
470V98.8Very high97.8Very high0 Ų057.1 Ų57.10%034%0.335CS..Hα-helixtrans-70.7-47.9174.9172.60000110.3V411 Y420 V445 L449 Q466 W467 L468 D472 K473 I474V411-V470 HydrophobicContact CG1-CG1 4.16Å; V411-V470 HydrophobicContact CG2-CG1 3.88Å; V411-V470 HydrophobicContact CG2-CG2 4Å; Y420-V470 HydrophobicContact CD1-CG2 4.31Å; Y420-V470 HydrophobicContact CD2-CB 4.24Å; Y420-V470 HydrophobicContact CD2-CG1 4.43Å; Y420-V470 HydrophobicContact CD2-CG2 4.02Å; Y420-V470 HydrophobicContact CE1-CG2 4.08Å; Y420-V470 HydrophobicContact CE2-CB 4.31Å; Y420-V470 HydrophobicContact CE2-CG2 3.78Å; Y420-V470 HydrophobicContact CG-CG1 4.46Å; Y420-V470 HydrophobicContact CG-CG2 4.28Å; V445-V470 HydrophobicContact CG1-CG1 4.34Å; L449-V470 HydrophobicContact CD1-CB 3.71Å; L449-V470 HydrophobicContact CD1-CG1 3.49Å; L449-V470 VanDerWaalsContact CD1-CG1 3.49Å; Q466-V470 HydrophobicContact CG-CG2 4Å; Q466-V470 WeakPolarHBondContact O-CB 3.48Å; Q466-V470 WeakPolarHBondContact O-CG2 3.34Å; Q466-V470 PolarHBondContact O-N 3.37Å; W467-V470 PolarHBondContact O-N 2.87Å; L468-V470 VanDerWaalsContact C-N 3.34Å; L468-V470 PolarHBondContact O-N 3.32Å; V470-D472 VanDerWaalsContact C-N 3.27Å; V470-D472 PolarHBondContact O-N 3.31Å; V470-K473 PolarHBondContact O-N 2.91Å; V470-I474 WeakPolarHBondContact O-CB 3.49Å; V470-I474 PolarHBondContact O-N 3.32Å
471A98.7Very high97.7Very high0 Ų062.8 Ų62.80%034%0.343CS..Hα-helixtrans-56.5-41.3178.900000112.6Q446 L449 R450 W467 L468Q446-A471 WeakPolarHBondContact CG-O 3.46Å; Q446-A471 PolarHBondContact NE2-O 2.9Å; L449-A471 HydrophobicContact CB-CB 3.95Å; L449-A471 HydrophobicContact CD1-CB 4.31Å; R450-A471 HydrophobicContact CG-CB 4Å; W467-A471 WeakPolarHBondContact O-CB 3.25Å; W467-A471 PolarHBondContact O-N 3.48Å; L468-A471 PolarHBondContact O-N 3.36Å
472D98.4Very high97.5Very high103 Ų10364 Ų6455%0.55135%0.346SS*.Hα-helixtrans-79.2-20.6-177-68.4-21.6000113.6R450 L468 V470R450-D472 IonicContact CZ-OD1 3.52Å; R450-D472 IonicContact NE-OD1 3.72Å; R450-D472 IonicContact NH2-OD1 3.65Å; R450-D472 PolarHBondContact NH2-OD1 2.97Å; L468-D472 WeakPolarHBondContact O-CB 3.23Å; L468-D472 VanDerWaalsContact O-CG 3.26Å; L468-D472 PolarHBondContact O-N 3.35Å; V470-D472 VanDerWaalsContact C-N 3.27Å; V470-D472 PolarHBondContact O-N 3.31Å
473K98.5Very high97.4Very high100 Ų10061.8 Ų61.844%0.43533%0.329SS..Hα-helixtrans-118.7-0.4-175.1-62.8-167.3178.6-169.90115.2W413 K419 Y420 A469 V470W413-K473 HydrophobicContact CH2-CD 3.77Å; W413-K473 HydrophobicContact CZ3-CB 4.21Å; W413-K473 HydrophobicContact CZ3-CD 3.74Å; K419-K473 CarbonylContact C-O 3.59Å; K419-K473 WeakPolarHBondContact CA-O 3.12Å; K419-K473 VanDerWaalsContact CB-O 3.26Å; K419-K473 WeakPolarHBondContact CB-O 3.15Å; Y420-K473 HydrophobicContact CD2-CB 3.86Å; Y420-K473 HydrophobicContact CE2-CB 4.21Å; Y420-K473 PolarHBondContact N-O 3.08Å; A469-K473 WeakPolarHBondContact O-CB 3.36Å; A469-K473 PolarHBondContact O-N 3.1Å; V470-K473 PolarHBondContact O-N 2.91Å
474I98.7Very high97.3Very high7 Ų758.6 Ų58.64%0.03631%0.312CS..BIsolated β-bridgetrans-64.5138172.5-165.2171.1000110.2V411 Y420 N442 V445 Q446 V470 V476V411-I474 HydrophobicContact CG1-CD1 4.05Å; Y420-I474 WeakPolarHBondContact O-CA 3.35Å; N442-I474 HydrophobicContact CB-CD1 3.98Å; N442-I474 HydrophobicContact CB-CG1 4.2Å; V445-I474 HydrophobicContact CB-CD1 3.75Å; V445-I474 HydrophobicContact CG1-CD1 3.71Å; V445-I474 HydrophobicContact CG2-CD1 4.02Å; Q446-I474 HydrophobicContact CG-CG2 3.31Å; V470-I474 WeakPolarHBondContact O-CB 3.49Å; V470-I474 PolarHBondContact O-N 3.32Å; I474-V476 PolarHBondContact O-N 3.32Å
475K98.3Very high97.4Very high29 Ų2956.5 Ų56.513%0.12630%0.298CS..  trans-68.7121.9-178.4-177.3174.4-176.7177.30110.4E417 K419 Y420 N437 N442 D489E417-K475 IonicContact OE1-NZ 3.77Å; E417-K475 WeakPolarHBondContact OE2-CD 3.41Å; E417-K475 WeakPolarHBondContact OE2-CE 3.29Å; E417-K475 IonicContact OE2-NZ 2.81Å; E417-K475 PolarHBondContact OE2-NZ 2.83Å; E417-K475 VanDerWaalsContact OE2-NZ 3.08Å; K419-K475 HydrophobicContact CB-CB 4.36Å; K419-K475 HydrophobicContact CD-CB 4.05Å; K419-K475 HydrophobicContact CD-CG 4.23Å; Y420-K475 PolarHBondContact O-N 2.88Å; N437-K475 HydrophobicContact CB-CD 4.35Å; N442-K475 WeakPolarHBondContact CB-O 3.37Å; N442-K475 PolarHBondContact ND2-O 3.22Å; K475-D489 WeakPolarHBondContact CE-OD1 3.37Å; K475-D489 WeakPolarHBondContact CE-OD2 3.4Å; K475-D489 IonicContact NZ-OD1 3.57Å; K475-D489 PolarHBondContact NZ-OD1 3.05Å; K475-D489 IonicContact NZ-OD2 2.99Å; K475-D489 PolarHBondContact NZ-OD2 2.97Å
476V98.1Very high97.4Very high26 Ų2652.5 Ų52.516%0.15827%0.269CS..  trans-107.5110.9165.4-178.40000106.3V439 V443 I474 F478 F511V439-V476 HydrophobicContact CG2-CG1 3.63Å; V443-V476 HydrophobicContact CG2-CG1 4.07Å; V443-V476 HydrophobicContact CG2-CG2 4.27Å; I474-V476 PolarHBondContact O-N 3.32Å; V476-F478 PolarHBondContact O-N 3.1Å; V476-F511 HydrophobicContact CG1-CZ 3.99Å
477P97.7Very high97.5Very high7 Ų748.1 Ų48.15%0.04525%0.249CC..  trans-55.9134.7178.9-23.231000111N437 V439 H485 P486N437-P477 HydrophobicContact CB-CG 4.23Å; N437-P477 WeakPolarHBondContact O-CD 3.37Å; N437-P477 WeakPolarHBondContact O-CG 3.36Å; V439-P477 HydrophobicContact CB-CG 4.4Å; P477-H485 PolarHBondContact O-ND1 3.49Å; P477-P486 HydrophobicContact CB-CB 4.37Å; P477-P486 HydrophobicContact CB-CG 4.47Å
478F97.8Very high97.4Very high84 Ų8448.3 Ų48.337%0.36825%0.25SC..  trans-152125.4175.3-175.6-108.3000108.9V476 V480 F484 H485 V517V476-F478 PolarHBondContact O-N 3.1Å; F478-V480 HydrophobicContact CD1-CG2 3.8Å; F478-V480 HydrophobicContact CE1-CG2 4.04Å; F478-F484 WeakPolarHBondContact CD2-O 3.29Å; F478-H485 AromaticContact CD2-CD2 3.89Å; F478-H485 AromaticContact CD2-CE1 3.45Å; F478-H485 VanDerWaalsContact CD2-CE1 3.45Å; F478-H485 WeakPolarHBondContact CD2-CE1 3.26Å; F478-H485 AromaticContact CD2-CG 3.98Å; F478-H485 AromaticContact CD2-ND1 3.7Å; F478-H485 AromaticContact CD2-NE2 3.56Å; F478-H485 AromaticContact CE2-NE2 3.98Å; F478-V517 HydrophobicContact CE2-CG1 3.97Å; F478-V517 HydrophobicContact CE2-CG2 4Å; F478-V517 HydrophobicContact CZ-CG2 4.09Å
479D96.9Very high97.4Very high37 Ų3747.2 Ų47.220%0.19824%0.244CC..BIsolated β-bridgetrans-90.5108.1173.7-175.2-30000108E481 Q482 N483 F484 P486D479-E481 VanDerWaalsContact C-N 3.33Å; D479-E481 WeakPolarHBondContact OD1-CA 3.42Å; D479-E481 WeakPolarHBondContact OD1-CB 3.42Å; D479-E481 PolarHBondContact OD1-N 2.79Å; D479-Q482 HydrophobicContact CB-CB 4.41Å; D479-Q482 PolarHBondContact OD1-N 2.88Å; D479-Q482 PolarHBondContact OD2-NE2 2.89Å; D479-N483 WeakPolarHBondContact O-CA 3.48Å; D479-N483 PolarHBondContact O-N 2.76Å; D479-F484 HydrophobicContact CB-CD1 3.87Å; D479-F484 HydrophobicContact CB-CE1 3.66Å; D479-F484 HydrophobicContact CB-CZ 4.46Å; D479-F484 PolarHBondContact N-O 2.91Å; D479-F484 PolarHBondContact O-N 3.27Å; D479-P486 HydrophobicContact CB-CG 4.09Å
480V95Very high97.3Very high117 Ų11748.5 Ų48.571%0.70926%0.261SS*.THydrogen-bonded Turntrans-71.4-29.6-179.3179.90000111.7F478F478-V480 HydrophobicContact CD1-CG2 3.8Å; F478-V480 HydrophobicContact CE1-CG2 4.04Å
481E94.1Very high97.2Very high189 Ų18949.2 Ų49.288%0.88326%0.264SS*.THydrogen-bonded Turntrans-76.1-43.2-177.2-62.3-172.9175.300111D479D479-E481 VanDerWaalsContact C-N 3.33Å; D479-E481 WeakPolarHBondContact OD1-CA 3.42Å; D479-E481 WeakPolarHBondContact OD1-CB 3.42Å; D479-E481 PolarHBondContact OD1-N 2.79Å
482Q93.5Very high97Very high91 Ų9155.5 Ų55.543%0.42529%0.293SS..THydrogen-bonded Turntrans-93.4-7179.6-64.1-172.979.300113.6D479 F484D479-Q482 HydrophobicContact CB-CB 4.41Å; D479-Q482 PolarHBondContact OD1-N 2.88Å; D479-Q482 PolarHBondContact OD2-NE2 2.89Å; Q482-F484 HydrophobicContact CB-CD1 3.47Å; Q482-F484 VanDerWaalsContact CB-CD1 3.47Å; Q482-F484 HydrophobicContact CB-CE1 3.63Å; Q482-F484 HydrophobicContact CG-CE1 4.36Å
483N95.2Very high96.8Very high65 Ų6554 Ų5435%0.34829%0.289SS..THydrogen-bonded Turntrans5746.7175.6-165.648.4000113.6D479 V517D479-N483 WeakPolarHBondContact O-CA 3.48Å; D479-N483 PolarHBondContact O-N 2.76Å; N483-V517 WeakPolarHBondContact OD1-CG2 3.46Å
484F97.3Very high96.5Very high1 Ų151.7 Ų51.70%0.00429%0.294CS..BIsolated β-bridgetrans-143.8168.2178.586.1-74.9000111.1F478 D479 Q482 P486 Y491 P493 K520 N521 I524 Y525F478-F484 WeakPolarHBondContact CD2-O 3.29Å; D479-F484 HydrophobicContact CB-CD1 3.87Å; D479-F484 HydrophobicContact CB-CE1 3.66Å; D479-F484 HydrophobicContact CB-CZ 4.46Å; D479-F484 PolarHBondContact N-O 2.91Å; D479-F484 PolarHBondContact O-N 3.27Å; Q482-F484 HydrophobicContact CB-CD1 3.47Å; Q482-F484 VanDerWaalsContact CB-CD1 3.47Å; Q482-F484 HydrophobicContact CB-CE1 3.63Å; Q482-F484 HydrophobicContact CG-CE1 4.36Å; F484-P486 HydrophobicContact CE2-CB 4.4Å; F484-P486 HydrophobicContact CE2-CG 4.25Å; F484-P486 HydrophobicContact CZ-CB 4.48Å; F484-P486 HydrophobicContact CZ-CG 4.07Å; F484-P486 WeakPolarHBondContact O-CD 3.31Å; F484-Y491 HydrophobicContact CE2-CD1 4.42Å; F484-Y491 HydrophobicContact CE2-CE1 4.28Å; F484-P493 HydrophobicContact CE1-CG 4.48Å; F484-P493 HydrophobicContact CZ-CG 3.92Å; F484-K520 HydrophobicContact CB-CB 4.42Å; F484-K520 HydrophobicContact CB-CG 3.81Å; F484-N521 WeakPolarHBondContact CA-OD1 3.39Å; F484-N521 WeakPolarHBondContact CB-OD1 3.46Å; F484-I524 HydrophobicContact CB-CD1 3.72Å; F484-I524 HydrophobicContact CD1-CD1 3.91Å; F484-I524 HydrophobicContact CD2-CD1 3.52Å; F484-I524 HydrophobicContact CE1-CD1 4.44Å; F484-I524 HydrophobicContact CE2-CD1 4.1Å; F484-I524 HydrophobicContact CG-CD1 3.43Å; F484-I524 VanDerWaalsContact CG-CD1 3.43Å; F484-Y525 HydrophobicContact CD2-CE2 4.44Å
485H98.2Very high96.3Very high12 Ų1254.1 Ų54.16%0.05631%0.305CS..  trans-95112.1173.2-75.7-79.1000110.3V439 P477 F478 V502 F511 N521 Y525V439-H485 HydrophobicContact CG2-CB 4.09Å; P477-H485 PolarHBondContact O-ND1 3.49Å; F478-H485 AromaticContact CD2-CD2 3.89Å; F478-H485 AromaticContact CD2-CE1 3.45Å; F478-H485 VanDerWaalsContact CD2-CE1 3.45Å; F478-H485 WeakPolarHBondContact CD2-CE1 3.26Å; F478-H485 AromaticContact CD2-CG 3.98Å; F478-H485 AromaticContact CD2-ND1 3.7Å; F478-H485 AromaticContact CD2-NE2 3.56Å; F478-H485 AromaticContact CE2-NE2 3.98Å; H485-V502 HydrophobicContact CB-CG1 3.86Å; H485-F511 AromaticContact CE1-CE1 3.79Å; H485-F511 AromaticContact NE2-CE1 3.63Å; H485-N521 PolarHBondContact N-OD1 2.85Å; H485-Y525 PolarHBondContact O-OH 3.3Å
486P98.1Very high96.2Very high21 Ų2156.7 Ų56.714%0.13632%0.323CS..  trans-59.4144.8164.8-19.832.3000110.1P477 D479 F484 F488 Y491P477-P486 HydrophobicContact CB-CB 4.37Å; P477-P486 HydrophobicContact CB-CG 4.47Å; D479-P486 HydrophobicContact CB-CG 4.09Å; F484-P486 HydrophobicContact CE2-CB 4.4Å; F484-P486 HydrophobicContact CE2-CG 4.25Å; F484-P486 HydrophobicContact CZ-CB 4.48Å; F484-P486 HydrophobicContact CZ-CG 4.07Å; F484-P486 WeakPolarHBondContact O-CD 3.31Å; P486-F488 VanDerWaalsContact C-N 3.32Å; P486-F488 PolarHBondContact O-N 3.12Å; P486-Y491 HydrophobicContact CB-CD1 4.26Å
487E97.9Very high96.1Very high0 Ų055.6 Ų55.60%032%0.316CS..SBendtrans-63.7-39.5-176.1-171.1167.8-162.300112.4D429 S438 V439 Y491 D501 V502 Y525D429-E487 WeakPolarHBondContact CB-OE1 3.23Å; S438-E487 CarbonylContact C-O 3.47Å; S438-E487 VanDerWaalsContact CA-O 3.29Å; S438-E487 WeakPolarHBondContact CA-O 3.45Å; V439-E487 PolarHBondContact N-O 2.77Å; E487-Y491 HydrophobicContact CB-CD2 3.83Å; E487-Y491 HydrophobicContact CB-CE2 4.25Å; E487-Y491 HydrophobicContact CB-CG 4Å; E487-D501 HydrophobicContact CG-CB 4.33Å; E487-D501 WeakPolarHBondContact OE1-CB 3.4Å; E487-D501 VanDerWaalsContact OE1-OD2 3.13Å; E487-V502 HydrophobicContact CB-CG2 3.89Å; E487-V502 HydrophobicContact CG-CG2 3.99Å; E487-Y525 HydrophobicContact CB-CE1 4.27Å; E487-Y525 PolarHBondContact N-OH 3.21Å
488F98.2Very high96Very high14 Ų1457 Ų576%0.06132%0.321CS..SBendtrans-150.5172.3174.348.8-98.9000110.2H432 V435 N436 P486 G490 Y491H432-F488 HydrophobicContact CB-CD1 4.42Å; H432-F488 HydrophobicContact CB-CE1 3.61Å; H432-F488 HydrophobicContact CB-CZ 4.02Å; H432-F488 AromaticContact CD2-CE1 3.97Å; H432-F488 AromaticContact CD2-CZ 3.63Å; H432-F488 AromaticContact CG-CE1 3.54Å; H432-F488 AromaticContact CG-CZ 3.7Å; H432-F488 AromaticContact ND1-CE1 3.88Å; V435-F488 HydrophobicContact CB-CB 3.86Å; V435-F488 HydrophobicContact CB-CD1 4.07Å; V435-F488 HydrophobicContact CB-CD2 3.91Å; V435-F488 HydrophobicContact CB-CG 3.66Å; V435-F488 HydrophobicContact CG1-CD1 3.85Å; V435-F488 HydrophobicContact CG1-CD2 3.8Å; V435-F488 HydrophobicContact CG1-CE1 3.99Å; V435-F488 HydrophobicContact CG1-CE2 3.92Å; V435-F488 HydrophobicContact CG1-CG 3.78Å; V435-F488 HydrophobicContact CG1-CZ 4.03Å; V435-F488 HydrophobicContact CG2-CB 3.85Å; V435-F488 HydrophobicContact CG2-CD1 4.02Å; V435-F488 HydrophobicContact CG2-CG 3.92Å; N436-F488 WeakPolarHBondContact O-CB 3.35Å; P486-F488 VanDerWaalsContact C-N 3.32Å; P486-F488 PolarHBondContact O-N 3.12Å; F488-G490 PolarHBondContact O-N 2.88Å; F488-G490 VanDerWaalsContact O-N 3.13Å; F488-Y491 HydrophobicContact CE1-CD2 4.04Å; F488-Y491 AromaticContact CZ-CD2 3.97Å; F488-Y491 HydrophobicContact CZ-CD2 3.97Å; F488-Y491 WeakPolarHBondContact O-CB 3.39Å; F488-Y491 PolarHBondContact O-N 3.16Å
489D97.7Very high95.8Very high49 Ų4953.4 Ų53.426%0.26231%0.306SS..THydrogen-bonded Turntrans-61.9115.9172.9-84.2-12000110.3N436 N437 K475N436-D489 HydrophobicContact CB-CB 4.23Å; N436-D489 WeakPolarHBondContact O-CB 3.22Å; N436-D489 PolarHBondContact O-N 3.31Å; N437-D489 PolarHBondContact ND2-OD2 3.01Å; K475-D489 WeakPolarHBondContact CE-OD1 3.37Å; K475-D489 WeakPolarHBondContact CE-OD2 3.4Å; K475-D489 IonicContact NZ-OD1 3.57Å; K475-D489 PolarHBondContact NZ-OD1 3.05Å; K475-D489 IonicContact NZ-OD2 2.99Å; K475-D489 PolarHBondContact NZ-OD2 2.97Å
490G95.8Very high95.7Very high66 Ų6651.7 Ų51.768%0.6830%0.297SS*.THydrogen-bonded Turntrans97.12.6179.200000114.9F488 E492F488-G490 PolarHBondContact O-N 2.88Å; F488-G490 VanDerWaalsContact O-N 3.13Å; G490-E492 PolarHBondContact O-N 3.47Å
491Y97Very high95.8Very high15 Ų1546.3 Ų46.36%0.05926%0.264CS..PPolyproline II helixtrans-56130.2173173-99.9000111.5F484 P486 E487 F488 E495 V497 Y525F484-Y491 HydrophobicContact CE2-CD1 4.42Å; F484-Y491 HydrophobicContact CE2-CE1 4.28Å; P486-Y491 HydrophobicContact CB-CD1 4.26Å; E487-Y491 HydrophobicContact CB-CD2 3.83Å; E487-Y491 HydrophobicContact CB-CE2 4.25Å; E487-Y491 HydrophobicContact CB-CG 4Å; F488-Y491 HydrophobicContact CE1-CD2 4.04Å; F488-Y491 AromaticContact CZ-CD2 3.97Å; F488-Y491 HydrophobicContact CZ-CD2 3.97Å; F488-Y491 WeakPolarHBondContact O-CB 3.39Å; F488-Y491 PolarHBondContact O-N 3.16Å; Y491-E495 WeakPolarHBondContact CD2-OE2 3.43Å; Y491-E495 HydrophobicContact CE2-CB 3.95Å; Y491-V497 HydrophobicContact CE2-CG2 4.5Å; Y491-Y525 AromaticContact CE1-CE1 3.99Å; Y491-Y525 HydrophobicContact CE1-CE1 3.99Å; Y491-Y525 HydrophobicContact CE2-CE1 4.27Å; Y491-Y525 AromaticContact CZ-CE1 3.65Å; Y491-Y525 WeakPolarHBondContact OH-CE1 3.38Å
492E94.5Very high96Very high133 Ų13337.3 Ų37.362%0.62122%0.222SC*.PPolyproline II helixtrans-99.7120.8176.9-60.8-168.316800110.4G490 G494 E495G490-E492 PolarHBondContact O-N 3.47Å; E492-G494 PolarHBondContact O-N 2.62Å; E492-G494 VanDerWaalsContact O-N 3.16Å; E492-E495 HydrophobicContact CB-CG 4.17Å; E492-E495 PolarHBondContact N-OE2 2.97Å; E492-E495 VanDerWaalsContact N-OE2 3.16Å; E492-E495 WeakPolarHBondContact O-CB 3.36Å; E492-E495 VanDerWaalsContact O-CG 3.29Å; E492-E495 WeakPolarHBondContact O-CG 3.21Å; E492-E495 PolarHBondContact O-N 2.89Å
493P93.4Very high96.2Very high71 Ų7133 Ų3346%0.46120%0.202SC..THydrogen-bonded Turntrans-56.4123.1179.3-26.434.4000112.7F484F484-P493 HydrophobicContact CE1-CG 4.48Å; F484-P493 HydrophobicContact CZ-CG 3.92Å
494G93.6Very high96.4Very high51 Ų5130 Ų3053%0.52619%0.186SC..THydrogen-bonded Turntrans114.3-12.5-177.700000113.7E492E492-G494 PolarHBondContact O-N 2.62Å; E492-G494 VanDerWaalsContact O-N 3.16Å
495E95Very high96.4Very high58 Ų5829.9 Ų29.927%0.27119%0.186SC..  trans-59.6138.1171.6-73.7175.2163.300111.2H432 Y491 E492 V528H432-E495 IonicContact NE2-OE2 2.99Å; Y491-E495 WeakPolarHBondContact CD2-OE2 3.43Å; Y491-E495 HydrophobicContact CE2-CB 3.95Å; E492-E495 HydrophobicContact CB-CG 4.17Å; E492-E495 PolarHBondContact N-OE2 2.97Å; E492-E495 VanDerWaalsContact N-OE2 3.16Å; E492-E495 WeakPolarHBondContact O-CB 3.36Å; E492-E495 VanDerWaalsContact O-CG 3.29Å; E492-E495 WeakPolarHBondContact O-CG 3.21Å; E492-E495 PolarHBondContact O-N 2.89Å; E495-V528 WeakPolarHBondContact O-CB 3.34Å; E495-V528 VanDerWaalsContact O-CG2 3.29Å; E495-V528 WeakPolarHBondContact O-CG2 3.2Å
496V95.6Very high96.3Very high84 Ų8430.2 Ų30.251%0.50919%0.192SC..  trans-74.5133.6-179.3176.50000109.2Y431 V528Y431-V496 HydrophobicContact CD2-CG1 4.49Å; Y431-V496 HydrophobicContact CE2-CG1 4.21Å; V496-V528 WeakPolarHBondContact CA-O 3.41Å
497V95.1Very high96.2Very high2 Ų229.8 Ų29.81%0.01219%0.188CC..BIsolated β-bridgetrans-111135.3-178.4173.80000109.6D429 Y491 Q499 Y525 V528 T529 S530D429-V497 HydrophobicContact CB-CG1 3.93Å; D429-V497 WeakPolarHBondContact OD2-CA 3.48Å; Y491-V497 HydrophobicContact CE2-CG2 4.5Å; V497-Q499 WeakPolarHBondContact CG1-O 3.42Å; V497-Y525 HydrophobicContact CG2-CD1 4.2Å; V497-V528 HydrophobicContact CB-CG2 4.49Å; V497-V528 HydrophobicContact CG2-CG2 4.01Å; V497-V528 PolarHBondContact N-O 3.47Å; V497-V528 VanDerWaalsContact N-O 3.12Å; V497-T529 WeakPolarHBondContact O-CA 3.45Å; V497-S530 PolarHBondContact O-N 2.87Å
498K95.3Very high96.2Very high36 Ų3630.3 Ų30.316%0.15719%0.191CC..SBendtrans-64.4-50.5179.9-176.6-172.8174.6-167.20111.8D429 E430 Y431 G533D429-K498 WeakPolarHBondContact OD1-CB 3.38Å; D429-K498 PolarHBondContact OD1-N 3.3Å; E430-K498 HydrophobicContact CB-CD 3.83Å; E430-K498 HydrophobicContact CG-CD 4.4Å; E430-K498 IonicContact OE1-NZ 3.5Å; E430-K498 PolarHBondContact OE1-NZ 2.99Å; E430-K498 IonicContact OE2-NZ 3.7Å; E430-K498 PolarHBondContact OE2-NZ 3.17Å; Y431-K498 HydrophobicContact CD1-CB 3.99Å; Y431-K498 HydrophobicContact CD1-CD 4.48Å; Y431-K498 HydrophobicContact CD1-CG 4.39Å; Y431-K498 HydrophobicContact CD2-CB 3.78Å; Y431-K498 HydrophobicContact CE1-CB 3.98Å; Y431-K498 HydrophobicContact CE1-CD 4.29Å; Y431-K498 HydrophobicContact CE1-CG 4.01Å; Y431-K498 HydrophobicContact CE2-CB 3.76Å; Y431-K498 HydrophobicContact CE2-CG 4.38Å; Y431-K498 HydrophobicContact CG-CB 3.9Å; K498-G533 VanDerWaalsContact O-CA 3.31Å; K498-G533 WeakPolarHBondContact O-CA 3.39Å
499Q94.3Very high96.2Very high9 Ų929.7 Ų29.74%0.04219%0.189CC..SBendtrans-151.1-179.9-169.166-175.812.600113P428 V497 D501 P534 T537P428-Q499 HydrophobicContact CB-CG 4.48Å; P428-Q499 VanDerWaalsContact O-CD 3.23Å; P428-Q499 WeakPolarHBondContact O-CG 3.35Å; P428-Q499 PolarHBondContact O-NE2 3.2Å; V497-Q499 WeakPolarHBondContact CG1-O 3.42Å; Q499-D501 PolarHBondContact O-N 2.87Å; Q499-P534 HydrophobicContact CB-CG 3.94Å; Q499-T537 WeakPolarHBondContact CB-OG1 3.46Å
500A95Very high96.1Very high2 Ų230.2 Ų30.22%0.01720%0.195CC..  trans-61.3117.817900000112.3P428 V503 L504 T537 M540P428-A500 WeakPolarHBondContact CB-O 3.49Å; A500-V503 HydrophobicContact CB-CG2 3.47Å; A500-V503 VanDerWaalsContact CB-CG2 3.47Å; A500-L504 HydrophobicContact CB-CD2 3.85Å; A500-L504 HydrophobicContact CB-CG 4.07Å; A500-L504 WeakPolarHBondContact O-CD1 3.42Å; A500-T537 HydrophobicContact CB-CG2 4.15Å; A500-T537 PolarHBondContact N-OG1 2.99Å; A500-M540 HydrophobicContact CB-CB 4.31Å
501D97.7Very high96.2Very high3 Ų329.4 Ų29.42%0.01617%0.173CC..SBendtrans-121.3-83.8173.6-173.2-52.1000110.8S427 P428 Y440 E487 Q499 V503 L504S427-D501 WeakPolarHBondContact CB-OD2 3.46Å; S427-D501 PolarHBondContact OG-OD2 3.25Å; P428-D501 HydrophobicContact CB-CB 4.25Å; P428-D501 VanDerWaalsContact CD-OD2 3.22Å; P428-D501 WeakPolarHBondContact CD-OD2 3.37Å; Y440-D501 WeakPolarHBondContact CB-OD1 3.34Å; E487-D501 HydrophobicContact CG-CB 4.33Å; E487-D501 WeakPolarHBondContact OE1-CB 3.4Å; E487-D501 VanDerWaalsContact OE1-OD2 3.13Å; Q499-D501 PolarHBondContact O-N 2.87Å; D501-V503 PolarHBondContact O-N 3.16Å; D501-V503 VanDerWaalsContact O-N 3.1Å; D501-L504 VanDerWaalsContact O-CB 3.25Å; D501-L504 WeakPolarHBondContact O-CB 3.35Å; D501-L504 WeakPolarHBondContact O-CG 3.26Å; D501-L504 PolarHBondContact O-N 2.89Å
502V98.1Very high96.1Very high1 Ų134.6 Ų34.61%0.00621%0.211CC..G310 helixtrans-61.7-27.7-178.6-175.30000112V439 H485 E487 L504 L505 N521 Y525V439-V502 HydrophobicContact CG1-CB 4.28Å; V439-V502 HydrophobicContact CG1-CG1 4.19Å; V439-V502 HydrophobicContact CG1-CG2 3.56Å; H485-V502 HydrophobicContact CB-CG1 3.86Å; E487-V502 HydrophobicContact CB-CG2 3.89Å; E487-V502 HydrophobicContact CG-CG2 3.99Å; V502-L504 PolarHBondContact O-N 3.34Å; V502-L505 HydrophobicContact CG1-CD1 4.06Å; V502-L505 VanDerWaalsContact O-CB 3.29Å; V502-L505 WeakPolarHBondContact O-CB 3.14Å; V502-L505 VanDerWaalsContact O-CG 3.3Å; V502-L505 WeakPolarHBondContact O-CG 3.15Å; V502-L505 PolarHBondContact O-N 3.32Å; V502-L505 VanDerWaalsContact O-N 3.14Å; V502-N521 HydrophobicContact CG1-CB 4.33Å; V502-Y525 HydrophobicContact CB-CD2 3.69Å; V502-Y525 HydrophobicContact CB-CE1 4.45Å; V502-Y525 HydrophobicContact CB-CE2 3.37Å; V502-Y525 HydrophobicContact CB-CG 4.4Å; V502-Y525 HydrophobicContact CG1-CD2 4.05Å; V502-Y525 HydrophobicContact CG1-CE2 3.52Å; V502-Y525 HydrophobicContact CG2-CD2 4.19Å; V502-Y525 HydrophobicContact CG2-CE1 3.93Å; V502-Y525 HydrophobicContact CG2-CE2 3.52Å; V502-Y525 WeakPolarHBondContact CG2-OH 3.31Å
503V97.6Very high96.2Very high1 Ų130 Ų301%0.00619%0.19CC..G310 helixtrans-71.5-13.5178.5-55.40000113.5A500 D501 L505 R518 L522 Y525 F541A500-V503 HydrophobicContact CB-CG2 3.47Å; A500-V503 VanDerWaalsContact CB-CG2 3.47Å; D501-V503 PolarHBondContact O-N 3.16Å; D501-V503 VanDerWaalsContact O-N 3.1Å; V503-L505 PolarHBondContact O-N 3.46Å; V503-R518 PolarHBondContact O-NH1 3.03Å; V503-R518 PolarHBondContact O-NH2 3.46Å; V503-L522 HydrophobicContact CB-CD2 4.21Å; V503-L522 HydrophobicContact CG1-CD2 4.13Å; V503-Y525 HydrophobicContact CG1-CD2 4.45Å; V503-Y525 HydrophobicContact CG1-CG 4.45Å; V503-F541 HydrophobicContact CB-CE1 4.24Å; V503-F541 HydrophobicContact CB-CZ 4.29Å; V503-F541 HydrophobicContact CG1-CD1 4.1Å; V503-F541 HydrophobicContact CG1-CE1 3.41Å; V503-F541 VanDerWaalsContact CG1-CE1 3.41Å; V503-F541 HydrophobicContact CG1-CE2 4.36Å; V503-F541 HydrophobicContact CG1-CZ 3.56Å; V503-F541 HydrophobicContact CG2-CD2 4.33Å; V503-F541 HydrophobicContact CG2-CE1 4.41Å; V503-F541 HydrophobicContact CG2-CE2 3.97Å; V503-F541 HydrophobicContact CG2-CZ 4.01Å
504L98.1Very high96.4Very high0 Ų029.3 Ų29.30%019%0.187CC..G310 helixtrans-74.6-13.8171.5-57.5177.3000112.7W300 L304 W305 P428 Y440 A500 D501 V502 Y507 V509 M540W300-L504 HydrophobicContact CH2-CD1 4.31Å; W300-L504 HydrophobicContact CZ3-CD1 4.38Å; L304-L504 HydrophobicContact CD2-CD1 4.26Å; W305-L504 HydrophobicContact CH2-CD2 3.69Å; W305-L504 HydrophobicContact CZ2-CD2 4.47Å; W305-L504 HydrophobicContact CZ3-CD2 4.32Å; P428-L504 HydrophobicContact CG-CD1 4.36Å; Y440-L504 HydrophobicContact CD2-CB 3.88Å; Y440-L504 HydrophobicContact CD2-CD1 3.88Å; Y440-L504 HydrophobicContact CD2-CG 4.45Å; Y440-L504 HydrophobicContact CE2-CB 3.73Å; Y440-L504 HydrophobicContact CE2-CD1 3.37Å; Y440-L504 HydrophobicContact CE2-CG 4.18Å; A500-L504 HydrophobicContact CB-CD2 3.85Å; A500-L504 HydrophobicContact CB-CG 4.07Å; A500-L504 WeakPolarHBondContact O-CD1 3.42Å; D501-L504 VanDerWaalsContact O-CB 3.25Å; D501-L504 WeakPolarHBondContact O-CB 3.35Å; D501-L504 WeakPolarHBondContact O-CG 3.26Å; D501-L504 PolarHBondContact O-N 2.89Å; V502-L504 PolarHBondContact O-N 3.34Å; L504-Y507 CarbonylContact C-O 3.55Å; L504-Y507 WeakPolarHBondContact CA-O 3.46Å; L504-Y507 CarbonylContact O-C 3.43Å; L504-Y507 PolarHBondContact O-N 3.5Å; L504-V509 HydrophobicContact CB-CG2 4.43Å; L504-V509 WeakPolarHBondContact O-CB 3.39Å; L504-V509 PolarHBondContact O-N 3.09Å; L504-M540 HydrophobicContact CD2-CB 4.06Å; L504-M540 HydrophobicContact CD2-CG 3.64Å; L504-M540 HydrophobicContact CD2-SD 4.31Å
505L98Very high96.5Very high0 Ų030 Ų300%018%0.183CC..BIsolated β-bridgetrans-68.8132.6173.3-59.9-178.1000110.8V439 V443 V502 V503 Y507 F511 L513 R518V439-L505 HydrophobicContact CG1-CD1 4.24Å; V439-L505 HydrophobicContact CG2-CD1 3.82Å; V443-L505 HydrophobicContact CB-CD2 3.86Å; V443-L505 HydrophobicContact CG1-CD2 3.91Å; V443-L505 HydrophobicContact CG2-CD2 3.82Å; V502-L505 HydrophobicContact CG1-CD1 4.06Å; V502-L505 VanDerWaalsContact O-CB 3.29Å; V502-L505 WeakPolarHBondContact O-CB 3.14Å; V502-L505 VanDerWaalsContact O-CG 3.3Å; V502-L505 WeakPolarHBondContact O-CG 3.15Å; V502-L505 PolarHBondContact O-N 3.32Å; V502-L505 VanDerWaalsContact O-N 3.14Å; V503-L505 PolarHBondContact O-N 3.46Å; L505-Y507 VanDerWaalsContact C-N 3.26Å; L505-Y507 PolarHBondContact O-N 2.91Å; L505-F511 HydrophobicContact CB-CB 4.31Å; L505-F511 HydrophobicContact CB-CD1 4.38Å; L505-F511 HydrophobicContact CD1-CD1 4.26Å; L505-F511 HydrophobicContact CD2-CB 4.33Å; L505-L513 HydrophobicContact CB-CD1 3.94Å; L505-R518 PolarHBondContact O-NH1 3.47Å
506G95.8Very high96.7Very high19 Ų1932.6 Ų32.620%0.19620%0.198CC..THydrogen-bonded Turntrans92.6-45.5-17200000111.8V509G506-V509 CarbonylContact C-O 3.38Å; G506-V509 WeakPolarHBondContact CA-O 3.32Å; G506-V509 PolarHBondContact N-O 3.03Å
507Y97.3Very high96.8Very high12 Ų1229 Ų295%0.04718%0.176CC..THydrogen-bonded Turntrans-157.5135.7170.4-177.8-86.1000112L504 L505 V509 M540 V543 E547 Q593 F597L504-Y507 CarbonylContact C-O 3.55Å; L504-Y507 WeakPolarHBondContact CA-O 3.46Å; L504-Y507 CarbonylContact O-C 3.43Å; L504-Y507 PolarHBondContact O-N 3.5Å; L505-Y507 VanDerWaalsContact C-N 3.26Å; L505-Y507 PolarHBondContact O-N 2.91Å; Y507-V509 VanDerWaalsContact C-N 3.3Å; Y507-M540 HydrophobicContact CD1-SD 3.97Å; Y507-M540 HydrophobicContact CE1-CE 4.21Å; Y507-M540 HydrophobicContact CE1-SD 3.89Å; Y507-V543 HydrophobicContact CD1-CB 4.11Å; Y507-V543 HydrophobicContact CD1-CG1 3.52Å; Y507-V543 HydrophobicContact CD1-CG2 4.18Å; Y507-V543 HydrophobicContact CE1-CG1 4.19Å; Y507-V543 HydrophobicContact CE1-CG2 4.19Å; Y507-V543 HydrophobicContact CG-CG1 3.81Å; Y507-E547 WeakPolarHBondContact CB-OE1 3.38Å; Y507-Q593 HydrophobicContact CE1-CB 4.38Å; Y507-Q593 VanDerWaalsContact CZ-OE1 3.32Å; Y507-Q593 PolarHBondContact OH-OE1 3.09Å; Y507-F597 HydrophobicContact CE1-CB 4.37Å; Y507-F597 HydrophobicContact CE2-CB 3.58Å; Y507-F597 HydrophobicContact CE2-CD1 4.18Å; Y507-F597 HydrophobicContact CE2-CD2 4.48Å; Y507-F597 AromaticContact CE2-CG 3.86Å; Y507-F597 HydrophobicContact CE2-CG 3.86Å; Y507-F597 VanDerWaalsContact CZ-CB 3.49Å; Y507-F597 AromaticContact CZ-CD2 3.97Å; Y507-F597 AromaticContact CZ-CG 3.76Å; Y507-F597 WeakPolarHBondContact OH-CB 3.41Å; Y507-F597 WeakPolarHBondContact OH-CD2 3.33Å; Y507-F597 WeakPolarHBondContact OH-CG 3.41Å
508P97.1Very high96.9Very high11 Ų1129.2 Ų29.27%0.07118%0.177CC..THydrogen-bonded Turncis-78.6-8.3-1.832.2-35.2000113.2L304 P510L304-P508 HydrophobicContact CD1-CG 3.85Å; L304-P508 HydrophobicContact CD2-CG 4.18Å; L304-P508 HydrophobicContact CG-CG 3.87Å; P508-P510 VanDerWaalsContact O-CD 3.23Å; P508-P510 WeakPolarHBondContact O-CD 3.42Å
509V97.8Very high97.1Very high0 Ų031.4 Ų31.40%018%0.184CC..BIsolated β-bridgetrans-83.9111.6-179.6-178.40000109.8L376 Y440 V443 L444 L504 G506 Y507 F511L376-V509 HydrophobicContact CD2-CG2 4.32Å; Y440-V509 HydrophobicContact CD2-CG2 4.25Å; Y440-V509 HydrophobicContact CE2-CG2 3.49Å; Y440-V509 VanDerWaalsContact CE2-CG2 3.49Å; V443-V509 HydrophobicContact CG1-CG1 3.68Å; L444-V509 HydrophobicContact CD2-CG1 3.98Å; L444-V509 HydrophobicContact CD2-CG2 4.07Å; L444-V509 HydrophobicContact CG-CG1 4.3Å; L444-V509 HydrophobicContact CG-CG2 4.45Å; L504-V509 HydrophobicContact CB-CG2 4.43Å; L504-V509 WeakPolarHBondContact O-CB 3.39Å; L504-V509 PolarHBondContact O-N 3.09Å; G506-V509 CarbonylContact C-O 3.38Å; G506-V509 WeakPolarHBondContact CA-O 3.32Å; G506-V509 PolarHBondContact N-O 3.03Å; Y507-V509 VanDerWaalsContact C-N 3.3Å; V509-F511 PolarHBondContact O-N 2.91Å; V509-F511 VanDerWaalsContact O-N 3.11Å
510P96.3Very high97.2Very high60 Ų6034.7 Ų34.739%0.3920%0.198SC..  trans-62.4118.8-177.6-22.735.2000110.9L376 N447 P508L376-P510 HydrophobicContact CD1-CG 4.27Å; N447-P510 PolarHBondContact ND2-O 2.58Å; P508-P510 VanDerWaalsContact O-CD 3.23Å; P508-P510 WeakPolarHBondContact O-CD 3.42Å
511F97.2Very high97.4Very high50 Ų5034.6 Ų34.622%0.21920%0.198CC..  trans-153.1129.2174.3-169.2-111.9000109.1V443 V476 H485 L505 V509 L513V443-F511 HydrophobicContact CB-CD2 4.34Å; V443-F511 HydrophobicContact CG1-CB 3.97Å; V443-F511 HydrophobicContact CG1-CD2 3.67Å; V443-F511 HydrophobicContact CG1-CE2 4.49Å; V443-F511 HydrophobicContact CG1-CG 4.03Å; V443-F511 HydrophobicContact CG2-CD2 3.64Å; V443-F511 HydrophobicContact CG2-CE2 3.71Å; V443-F511 HydrophobicContact CG2-CG 4.11Å; V443-F511 HydrophobicContact CG2-CZ 4.24Å; V476-F511 HydrophobicContact CG1-CZ 3.99Å; H485-F511 AromaticContact CE1-CE1 3.79Å; H485-F511 AromaticContact NE2-CE1 3.63Å; L505-F511 HydrophobicContact CB-CB 4.31Å; L505-F511 HydrophobicContact CB-CD1 4.38Å; L505-F511 HydrophobicContact CD1-CD1 4.26Å; L505-F511 HydrophobicContact CD2-CB 4.33Å; V509-F511 PolarHBondContact O-N 2.91Å; V509-F511 VanDerWaalsContact O-N 3.11Å; F511-L513 HydrophobicContact CD1-CD2 3.63Å; F511-L513 HydrophobicContact CD1-CG 3.86Å; F511-L513 HydrophobicContact CE1-CD2 3.76Å; F511-L513 HydrophobicContact CE1-CG 4.45Å; F511-L513 PolarHBondContact O-N 3.09Å
512S95.4Very high97.4Very high123 Ų12334.5 Ų34.586%0.8620%0.197SC*.  trans-75.3112.1-177.4-61.90000110.6
513L96.6Very high97.4Very high37 Ų3737.9 Ų37.919%0.19421%0.213CC..  trans-116.6140.1176.5-65.6168.4000109.4L505 F511 V517 R518L505-L513 HydrophobicContact CB-CD1 3.94Å; F511-L513 HydrophobicContact CD1-CD2 3.63Å; F511-L513 HydrophobicContact CD1-CG 3.86Å; F511-L513 HydrophobicContact CE1-CD2 3.76Å; F511-L513 HydrophobicContact CE1-CG 4.45Å; F511-L513 PolarHBondContact O-N 3.09Å; L513-V517 HydrophobicContact CD2-CG1 3.85Å; L513-R518 HydrophobicContact CB-CB 4.13Å; L513-R518 HydrophobicContact CD1-CB 4.42Å
514S97Very high97.3Very high56 Ų5639.1 Ų39.139%0.39222%0.219SC..  trans-67.5152.6165.371.60000109.4D516 V517 R518S514-D516 PolarHBondContact O-N 2.89Å; S514-V517 PolarHBondContact O-N 2.93Å; S514-V517 VanDerWaalsContact OG-CG2 3.31Å; S514-V517 WeakPolarHBondContact OG-CG2 3.47Å; S514-V517 PolarHBondContact OG-N 2.76Å; S514-R518 WeakPolarHBondContact O-CB 3.27Å; S514-R518 PolarHBondContact O-N 2.88Å
515P97.2Very high97.3Very high66 Ų6639.4 Ų39.443%0.42922%0.22SC..Hα-helixtrans-53.9-35.8176.4-28.336000113.3R519 L548 W718P515-R519 VanDerWaalsContact O-CB 3.27Å; P515-R519 WeakPolarHBondContact O-CB 3.1Å; P515-R519 PolarHBondContact O-N 3.41Å; P515-L548 HydrophobicContact CB-CD2 4.12Å; P515-W718 HydrophobicContact CG-CZ3 4.27Å
516D97.5Very high97.3Very high112 Ų11240.7 Ų40.760%0.59923%0.226SC*.Hα-helixtrans-69-44.9179.2-63.4-33000112.2S514 R519 K520S514-D516 PolarHBondContact O-N 2.89Å; D516-R519 PolarHBondContact O-N 2.86Å; D516-K520 WeakPolarHBondContact O-CB 3.23Å; D516-K520 PolarHBondContact O-N 3.19Å
517V98Very high97.3Very high8 Ų843.8 Ų43.85%0.04825%0.25CS..Hα-helixtrans-67-42.5176.8175.60000110.4F478 N483 L513 S514 R519 K520 N521F478-V517 HydrophobicContact CE2-CG1 3.97Å; F478-V517 HydrophobicContact CE2-CG2 4Å; F478-V517 HydrophobicContact CZ-CG2 4.09Å; N483-V517 WeakPolarHBondContact OD1-CG2 3.46Å; L513-V517 HydrophobicContact CD2-CG1 3.85Å; S514-V517 PolarHBondContact O-N 2.93Å; S514-V517 VanDerWaalsContact OG-CG2 3.31Å; S514-V517 WeakPolarHBondContact OG-CG2 3.47Å; S514-V517 PolarHBondContact OG-N 2.76Å; V517-R519 VanDerWaalsContact C-N 3.33Å; V517-R519 PolarHBondContact O-N 3.11Å; V517-K520 PolarHBondContact O-N 3.03Å; V517-N521 WeakPolarHBondContact O-CB 3.48Å; V517-N521 PolarHBondContact O-N 3.26Å
518R98Very high97.3Very high8 Ų844.3 Ų44.33%0.0325%0.254CS..Hα-helixtrans-58.5-46.3176.4-178.461.1167.4155.8-3.6110.9V503 L505 L513 S514 L522 E547 L548V503-R518 PolarHBondContact O-NH1 3.03Å; V503-R518 PolarHBondContact O-NH2 3.46Å; L505-R518 PolarHBondContact O-NH1 3.47Å; L513-R518 HydrophobicContact CB-CB 4.13Å; L513-R518 HydrophobicContact CD1-CB 4.42Å; S514-R518 WeakPolarHBondContact O-CB 3.27Å; S514-R518 PolarHBondContact O-N 2.88Å; R518-L522 HydrophobicContact CG-CD1 4.2Å; R518-L522 VanDerWaalsContact O-CG 3.3Å; R518-L522 WeakPolarHBondContact O-CG 3.43Å; R518-L522 PolarHBondContact O-N 2.9Å; R518-L522 VanDerWaalsContact O-N 3.07Å; R518-E547 IonicContact CZ-OE2 3.1Å; R518-E547 IonicContact NE-OE2 3.48Å; R518-E547 PolarHBondContact NE-OE2 3.43Å; R518-E547 IonicContact NH2-OE2 3.78Å; R518-E547 PolarHBondContact NH2-OE2 3.3Å; R518-L548 HydrophobicContact CB-CD2 4.23Å; R518-L548 HydrophobicContact CG-CD1 4.23Å; R518-L548 HydrophobicContact CG-CD2 4.12Å; R518-L548 HydrophobicContact CG-CG 4.19Å
519R98.2Very high97.2Very high82 Ų8244.2 Ų44.231%0.30925%0.253SS..Hα-helixtrans-59.9-48.7175.4-178174.7-63.6-82.7-6.9111.3P515 D516 V517 N521 L522 E523 W545 L548P515-R519 VanDerWaalsContact O-CB 3.27Å; P515-R519 WeakPolarHBondContact O-CB 3.1Å; P515-R519 PolarHBondContact O-N 3.41Å; D516-R519 PolarHBondContact O-N 2.86Å; V517-R519 VanDerWaalsContact C-N 3.33Å; V517-R519 PolarHBondContact O-N 3.11Å; R519-N521 PolarHBondContact O-N 2.81Å; R519-L522 PolarHBondContact O-N 2.96Å; R519-E523 HydrophobicContact CG-CG 4.36Å; R519-E523 WeakPolarHBondContact CG-OE1 3.35Å; R519-E523 WeakPolarHBondContact O-CG 3.44Å; R519-E523 PolarHBondContact O-N 2.94Å; R519-W545 HydrophobicContact CG-CH2 4.16Å; R519-W545 HydrophobicContact CG-CZ3 4.19Å; R519-L548 HydrophobicContact CB-CD1 3.69Å; R519-L548 HydrophobicContact CG-CD1 4.29Å
520K97.7Very high97Very high78 Ų7844.5 Ų44.534%0.33926%0.256SS..Hα-helixtrans-62.3-43.7-177.2-169.461.5171.1173.20112.1F484 D516 V517 E523 I524F484-K520 HydrophobicContact CB-CB 4.42Å; F484-K520 HydrophobicContact CB-CG 3.81Å; D516-K520 WeakPolarHBondContact O-CB 3.23Å; D516-K520 PolarHBondContact O-N 3.19Å; V517-K520 PolarHBondContact O-N 3.03Å; K520-E523 PolarHBondContact O-N 2.91Å; K520-I524 HydrophobicContact CD-CD1 4.21Å; K520-I524 HydrophobicContact CG-CD1 3.94Å; K520-I524 VanDerWaalsContact O-CG1 3.32Å; K520-I524 WeakPolarHBondContact O-CG1 3.33Å; K520-I524 PolarHBondContact O-N 3Å
521N98.2Very high96.6Very high0 Ų045.9 Ų45.90%026%0.264CS..Hα-helixtrans-57.8-51.2173-74.1-8.2000110.9F484 H485 V502 V517 R519 E523 I524 Y525F484-N521 WeakPolarHBondContact CA-OD1 3.39Å; F484-N521 WeakPolarHBondContact CB-OD1 3.46Å; H485-N521 PolarHBondContact N-OD1 2.85Å; V502-N521 HydrophobicContact CG1-CB 4.33Å; V517-N521 WeakPolarHBondContact O-CB 3.48Å; V517-N521 PolarHBondContact O-N 3.26Å; R519-N521 PolarHBondContact O-N 2.81Å; N521-E523 VanDerWaalsContact C-N 3.33Å; N521-E523 PolarHBondContact O-N 3.37Å; N521-I524 PolarHBondContact O-N 2.9Å; N521-Y525 HydrophobicContact CB-CD2 4.42Å; N521-Y525 WeakPolarHBondContact O-CD2 3.46Å; N521-Y525 PolarHBondContact O-N 3.27Å
522L98.1Very high96Very high0 Ų049.6 Ų49.60%028%0.283CS..Hα-helixtrans-58.9-43.8179.8-69.7165.2000111.9V503 R518 R519 E526 F541 G544 W545 L548V503-L522 HydrophobicContact CB-CD2 4.21Å; V503-L522 HydrophobicContact CG1-CD2 4.13Å; R518-L522 HydrophobicContact CG-CD1 4.2Å; R518-L522 VanDerWaalsContact O-CG 3.3Å; R518-L522 WeakPolarHBondContact O-CG 3.43Å; R518-L522 PolarHBondContact O-N 2.9Å; R518-L522 VanDerWaalsContact O-N 3.07Å; R519-L522 PolarHBondContact O-N 2.96Å; L522-E526 WeakPolarHBondContact O-CB 3.26Å; L522-E526 PolarHBondContact O-N 3.37Å; L522-F541 HydrophobicContact CD2-CD1 3.83Å; L522-F541 HydrophobicContact CD2-CE1 4.39Å; L522-G544 VanDerWaalsContact CD1-C 3.47Å; L522-W545 HydrophobicContact CB-CH2 4.16Å; L522-W545 HydrophobicContact CB-CZ2 3.56Å; L522-W545 HydrophobicContact CD1-CD2 4.12Å; L522-W545 HydrophobicContact CD1-CE3 4.37Å; L522-W545 HydrophobicContact CD1-CG 4.47Å; L522-W545 HydrophobicContact CD1-CZ2 4.48Å; L522-L548 HydrophobicContact CD1-CD1 3.66Å; L522-L548 HydrophobicContact CD1-CG 4.48Å
523E97.6Very high95.6Very high72 Ų7244 Ų4434%0.33624%0.244SC..Hα-helixtrans-64.4-43.8179.5-71.4172.4174.800113.2R519 K520 N521 W545R519-E523 HydrophobicContact CG-CG 4.36Å; R519-E523 WeakPolarHBondContact CG-OE1 3.35Å; R519-E523 WeakPolarHBondContact O-CG 3.44Å; R519-E523 PolarHBondContact O-N 2.94Å; K520-E523 PolarHBondContact O-N 2.91Å; N521-E523 VanDerWaalsContact C-N 3.33Å; N521-E523 PolarHBondContact O-N 3.37Å; E523-W545 HydrophobicContact CG-CH2 3.66Å; E523-W545 HydrophobicContact CG-CZ2 4.01Å
524I97.3Very high95.4Very high28 Ų2842.3 Ų42.314%0.14424%0.236CC..Hα-helixtrans-64.6-54.6179.4-71.4169.7000109.9F484 K520 N521 A527F484-I524 HydrophobicContact CB-CD1 3.72Å; F484-I524 HydrophobicContact CD1-CD1 3.91Å; F484-I524 HydrophobicContact CD2-CD1 3.52Å; F484-I524 HydrophobicContact CE1-CD1 4.44Å; F484-I524 HydrophobicContact CE2-CD1 4.1Å; F484-I524 HydrophobicContact CG-CD1 3.43Å; F484-I524 VanDerWaalsContact CG-CD1 3.43Å; K520-I524 HydrophobicContact CD-CD1 4.21Å; K520-I524 HydrophobicContact CG-CD1 3.94Å; K520-I524 VanDerWaalsContact O-CG1 3.32Å; K520-I524 WeakPolarHBondContact O-CG1 3.33Å; K520-I524 PolarHBondContact O-N 3Å; N521-I524 PolarHBondContact O-N 2.9Å; I524-A527 PolarHBondContact O-N 2.89Å
525Y98Very high95.2Very high5 Ų539.7 Ų39.72%0.0222%0.217CC..Hα-helixtrans-75.4-30.5-171.5-68.1-70.2000112.5F484 H485 E487 Y491 V497 V502 V503 N521 A527 V528 T529F484-Y525 HydrophobicContact CD2-CE2 4.44Å; H485-Y525 PolarHBondContact O-OH 3.3Å; E487-Y525 HydrophobicContact CB-CE1 4.27Å; E487-Y525 PolarHBondContact N-OH 3.21Å; Y491-Y525 AromaticContact CE1-CE1 3.99Å; Y491-Y525 HydrophobicContact CE1-CE1 3.99Å; Y491-Y525 HydrophobicContact CE2-CE1 4.27Å; Y491-Y525 AromaticContact CZ-CE1 3.65Å; Y491-Y525 WeakPolarHBondContact OH-CE1 3.38Å; V497-Y525 HydrophobicContact CG2-CD1 4.2Å; V502-Y525 HydrophobicContact CB-CD2 3.69Å; V502-Y525 HydrophobicContact CB-CE1 4.45Å; V502-Y525 HydrophobicContact CB-CE2 3.37Å; V502-Y525 HydrophobicContact CB-CG 4.4Å; V502-Y525 HydrophobicContact CG1-CD2 4.05Å; V502-Y525 HydrophobicContact CG1-CE2 3.52Å; V502-Y525 HydrophobicContact CG2-CD2 4.19Å; V502-Y525 HydrophobicContact CG2-CE1 3.93Å; V502-Y525 HydrophobicContact CG2-CE2 3.52Å; V502-Y525 WeakPolarHBondContact CG2-OH 3.31Å; V503-Y525 HydrophobicContact CG1-CD2 4.45Å; V503-Y525 HydrophobicContact CG1-CG 4.45Å; N521-Y525 HydrophobicContact CB-CD2 4.42Å; N521-Y525 WeakPolarHBondContact O-CD2 3.46Å; N521-Y525 PolarHBondContact O-N 3.27Å; Y525-A527 PolarHBondContact O-N 3.28Å; Y525-V528 HydrophobicContact CD1-CG2 4.38Å; Y525-V528 PolarHBondContact O-N 2.98Å; Y525-T529 WeakPolarHBondContact O-CB 3.39Å; Y525-T529 PolarHBondContact O-N 3.19Å; Y525-T529 PolarHBondContact O-OG1 3.03Å
526E96.7Very high95.1Very high28 Ų2836.8 Ų36.813%0.13120%0.198CC..Hα-helixtrans-64.4-31.3175.4-168.5-174.3122.100111.7L522 V528 W538 F541 W545 R553 L557L522-E526 WeakPolarHBondContact O-CB 3.26Å; L522-E526 PolarHBondContact O-N 3.37Å; E526-V528 VanDerWaalsContact C-N 3.32Å; E526-W538 HydrophobicContact CG-CZ3 4.15Å; E526-F541 HydrophobicContact CB-CD1 3.78Å; E526-F541 HydrophobicContact CB-CE1 3.47Å; E526-F541 VanDerWaalsContact CB-CE1 3.47Å; E526-F541 HydrophobicContact CB-CZ 4.19Å; E526-F541 HydrophobicContact CG-CD1 4.11Å; E526-F541 HydrophobicContact CG-CE1 4.2Å; E526-W545 PolarHBondContact OE2-NE1 3.48Å; E526-R553 IonicContact OE1-CZ 2.84Å; E526-R553 IonicContact OE1-NE 3.32Å; E526-R553 PolarHBondContact OE1-NE 3.22Å; E526-R553 IonicContact OE1-NH2 3.09Å; E526-R553 PolarHBondContact OE1-NH2 2.98Å; E526-R553 IonicContact OE2-CZ 3.55Å; E526-R553 IonicContact OE2-NE 2.63Å; E526-R553 PolarHBondContact OE2-NE 3.37Å; E526-R553 IonicContact OE2-NH2 2.7Å; E526-R553 PolarHBondContact OE2-NH2 2.87Å; E526-R553 VanDerWaalsContact OE2-NH2 3.15Å; E526-L557 HydrophobicContact CG-CD2 4.34Å
527A96.4Very high95Very high84 Ų8431.5 Ų31.569%0.69417%0.169SC*.Hα-helixtrans-73.7-22.7-179.300000113.6I524 Y525I524-A527 PolarHBondContact O-N 2.89Å; Y525-A527 PolarHBondContact O-N 3.28Å
528V96.8Very high94.9Very high22 Ų2232 Ų3213%0.13317%0.17CC..Hα-helixtrans-116.4-10.6-174.6-56.90000113.9E495 V496 V497 Y525 E526 S530E495-V528 WeakPolarHBondContact O-CB 3.34Å; E495-V528 VanDerWaalsContact O-CG2 3.29Å; E495-V528 WeakPolarHBondContact O-CG2 3.2Å; V496-V528 WeakPolarHBondContact CA-O 3.41Å; V497-V528 HydrophobicContact CB-CG2 4.49Å; V497-V528 HydrophobicContact CG2-CG2 4.01Å; V497-V528 PolarHBondContact N-O 3.47Å; V497-V528 VanDerWaalsContact N-O 3.12Å; Y525-V528 HydrophobicContact CD1-CG2 4.38Å; Y525-V528 PolarHBondContact O-N 2.98Å; E526-V528 VanDerWaalsContact C-N 3.32Å; V528-S530 PolarHBondContact O-N 3.41Å
529T96.4Very high94.8Very high9 Ų931.6 Ų31.66%0.05517%0.169CC..BIsolated β-bridgetrans-63.1128.3175.3-64.80000110.1V497 Y525 T537 W538 F541V497-T529 WeakPolarHBondContact O-CA 3.45Å; Y525-T529 WeakPolarHBondContact O-CB 3.39Å; Y525-T529 PolarHBondContact O-N 3.19Å; Y525-T529 PolarHBondContact O-OG1 3.03Å; T529-T537 HydrophobicContact CG2-CG2 3.51Å; T529-W538 HydrophobicContact CG2-CH2 4.07Å; T529-W538 HydrophobicContact CG2-CZ2 4.31Å; T529-F541 HydrophobicContact CG2-CE2 4.22Å; T529-F541 WeakPolarHBondContact OG1-CZ 3.47Å
530S93.2Very high94.8Very high7 Ų727.7 Ų27.75%0.04915%0.154CC..  trans-57130-179.5-179.70000111.4V497 V528 Q532 G533V497-S530 PolarHBondContact O-N 2.87Å; V528-S530 PolarHBondContact O-N 3.41Å; S530-Q532 PolarHBondContact O-N 2.86Å; S530-Q532 PolarHBondContact OG-N 3.24Å; S530-Q532 VanDerWaalsContact OG-N 3.17Å; S530-Q532 PolarHBondContact OG-OE1 3.05Å; S530-G533 PolarHBondContact O-N 3.45Å
531P87.3Confident94.7Very high88 Ų8824 Ų2457%0.57114%0.138SC*.THydrogen-bonded Turntrans-67.6-15.5171.424.6-27.6000113.1G533P531-G533 VanDerWaalsContact C-N 3.33Å
532Q84.9Confident94.7Very high129 Ų12924 Ų2460%0.60314%0.138SC*.THydrogen-bonded Turntrans-91.45.3171.8-62.177.127.600112.6S530 N575S530-Q532 PolarHBondContact O-N 2.86Å; S530-Q532 PolarHBondContact OG-N 3.24Å; S530-Q532 VanDerWaalsContact OG-N 3.17Å; S530-Q532 PolarHBondContact OG-OE1 3.05Å; Q532-N575 PolarHBondContact O-OD1 2.86Å
533G86Confident94.7Very high5 Ų524 Ų245%0.05214%0.138CC..SBendtrans-64.4160.7175.100000112.6K498 S530 P531K498-G533 VanDerWaalsContact O-CA 3.31Å; K498-G533 WeakPolarHBondContact O-CA 3.39Å; S530-G533 PolarHBondContact O-N 3.45Å; P531-G533 VanDerWaalsContact C-N 3.33Å
534P93.4Very high94.7Very high2 Ų220.5 Ų20.51%0.01312%0.122CC..  trans-71.3155-17327.4-33.1000113.2Q499 M536 T537 E574Q499-P534 HydrophobicContact CB-CG 3.94Å; P534-M536 VanDerWaalsContact C-N 3.28Å; P534-M536 HydrophobicContact CB-CE 3.87Å; P534-M536 HydrophobicContact CB-SD 3.54Å; P534-M536 VanDerWaalsContact CB-SD 3.54Å; P534-M536 HydrophobicContact CG-CE 4.13Å; P534-M536 HydrophobicContact CG-SD 3.54Å; P534-M536 VanDerWaalsContact CG-SD 3.54Å; P534-M536 PolarHBondContact O-N 3.14Å; P534-T537 WeakPolarHBondContact O-CB 3.2Å; P534-T537 PolarHBondContact O-N 2.7Å; P534-T537 VanDerWaalsContact O-N 3.1Å; P534-T537 PolarHBondContact O-OG1 2.99Å; P534-T537 VanDerWaalsContact O-OG1 3.1Å; P534-E574 WeakPolarHBondContact CA-O 3.49Å; P534-E574 HydrophobicContact CB-CG 3.94Å
535A92.9Very high94.7Very high0 Ų019.2 Ų19.20%012%0.115CC..THydrogen-bonded Turntrans-51.1-31.1-16600000117T537 N564 W572 E574 F584A535-T537 VanDerWaalsContact C-N 3.31Å; A535-T537 PolarHBondContact O-N 3.28Å; A535-N564 HydrophobicContact CB-CB 3.88Å; A535-N564 VanDerWaalsContact CB-CG 3.45Å; A535-N564 WeakPolarHBondContact CB-ND2 3.48Å; A535-W572 HydrophobicContact CB-CE3 4.05Å; A535-W572 HydrophobicContact CB-CZ3 4.17Å; A535-E574 PolarHBondContact N-O 3.35Å; A535-F584 HydrophobicContact CB-CD1 4.07Å; A535-F584 HydrophobicContact CB-CE1 4.19Å
536M94.7Very high94.7Very high5 Ų519 Ų193%0.02512%0.115CC..THydrogen-bonded Turntrans-73.8-21.8-176.771-61.9-92.700113.3W305 P534 W538 S539 M540 F584 T586W305-M536 HydrophobicContact CD2-CB 4.17Å; W305-M536 HydrophobicContact CD2-CG 3.92Å; W305-M536 HydrophobicContact CE3-CB 3.95Å; W305-M536 HydrophobicContact CE3-CG 4.03Å; W305-M536 HydrophobicContact CH2-CB 4.17Å; W305-M536 HydrophobicContact CH2-CG 3.55Å; W305-M536 HydrophobicContact CZ2-CB 4.42Å; W305-M536 HydrophobicContact CZ2-CG 3.47Å; W305-M536 VanDerWaalsContact CZ2-CG 3.47Å; W305-M536 HydrophobicContact CZ3-CB 3.95Å; W305-M536 HydrophobicContact CZ3-CG 3.84Å; P534-M536 VanDerWaalsContact C-N 3.28Å; P534-M536 HydrophobicContact CB-CE 3.87Å; P534-M536 HydrophobicContact CB-SD 3.54Å; P534-M536 VanDerWaalsContact CB-SD 3.54Å; P534-M536 HydrophobicContact CG-CE 4.13Å; P534-M536 HydrophobicContact CG-SD 3.54Å; P534-M536 VanDerWaalsContact CG-SD 3.54Å; P534-M536 PolarHBondContact O-N 3.14Å; M536-W538 PolarHBondContact O-N 2.92Å; M536-S539 WeakPolarHBondContact O-CB 3.37Å; M536-S539 PolarHBondContact O-N 3.36Å; M536-M540 PolarHBondContact O-N 3.15Å; M536-F584 HydrophobicContact CE-CE1 3.65Å; M536-F584 HydrophobicContact CE-CZ 3.54Å; M536-T586 HydrophobicContact CE-CG2 3.24Å; M536-T586 HydrophobicContact CG-CG2 4.42Å
537T95.7Very high94.7Very high1 Ų120.3 Ų20.31%0.00612%0.121CC..Hα-helixtrans-58.8-53-171.7-63.10000112.6Q499 A500 T529 P534 A535 S539 M540 F541Q499-T537 WeakPolarHBondContact CB-OG1 3.46Å; A500-T537 HydrophobicContact CB-CG2 4.15Å; A500-T537 PolarHBondContact N-OG1 2.99Å; T529-T537 HydrophobicContact CG2-CG2 3.51Å; P534-T537 WeakPolarHBondContact O-CB 3.2Å; P534-T537 PolarHBondContact O-N 2.7Å; P534-T537 VanDerWaalsContact O-N 3.1Å; P534-T537 PolarHBondContact O-OG1 2.99Å; P534-T537 VanDerWaalsContact O-OG1 3.1Å; A535-T537 VanDerWaalsContact C-N 3.31Å; A535-T537 PolarHBondContact O-N 3.28Å; T537-S539 PolarHBondContact O-N 3.24Å; T537-M540 PolarHBondContact O-N 3.44Å; T537-M540 VanDerWaalsContact O-N 3.08Å; T537-F541 HydrophobicContact CG2-CD2 4.12Å; T537-F541 HydrophobicContact CG2-CE2 3.85Å; T537-F541 WeakPolarHBondContact O-CD2 3.32Å; T537-F541 PolarHBondContact O-N 2.81Å
538W95.4Very high94.7Very high18 Ų1817.6 Ų17.67%0.0689%0.094CC..Hα-helixtrans-65.2-27.6-177.6-59.1115.4000113.1E526 T529 M536 M540 F541 A542 L557 R560E526-W538 HydrophobicContact CG-CZ3 4.15Å; T529-W538 HydrophobicContact CG2-CH2 4.07Å; T529-W538 HydrophobicContact CG2-CZ2 4.31Å; M536-W538 PolarHBondContact O-N 2.92Å; W538-M540 VanDerWaalsContact C-N 3.33Å; W538-M540 PolarHBondContact O-N 3.29Å; W538-F541 HydrophobicContact CE3-CD2 4.15Å; W538-F541 HydrophobicContact CZ3-CD2 4.41Å; W538-F541 PolarHBondContact O-N 3.32Å; W538-A542 WeakPolarHBondContact O-CB 3.31Å; W538-A542 PolarHBondContact O-N 3.44Å; W538-L557 HydrophobicContact CE3-CD2 3.57Å; W538-L557 HydrophobicContact CZ3-CD2 4.03Å; W538-R560 HydrophobicContact CG-CB 4.3Å
539S96.1Very high94.6Very high0 Ų021 Ų210%011%0.107CC..Hα-helixtrans-64.2-37.9174.7-67.20000111.8M536 T537 A542 V543 G590 F591M536-S539 WeakPolarHBondContact O-CB 3.37Å; M536-S539 PolarHBondContact O-N 3.36Å; T537-S539 PolarHBondContact O-N 3.24Å; S539-A542 WeakPolarHBondContact O-CB 3.37Å; S539-A542 PolarHBondContact O-N 3.49Å; S539-V543 WeakPolarHBondContact O-CG2 3.39Å; S539-V543 PolarHBondContact O-N 3.19Å; S539-G590 VanDerWaalsContact CB-C 3.5Å; S539-G590 VanDerWaalsContact CB-O 3.24Å; S539-G590 WeakPolarHBondContact CB-O 3.23Å; S539-F591 WeakPolarHBondContact OG-CA 3.45Å; S539-F591 PolarHBondContact OG-N 3.25Å
540M97.3Very high94.6Very high0 Ų022.8 Ų22.80%012%0.117CC..Hα-helixtrans-73.6-36.9178.6-65.5-57.9108.800112.9W305 A500 L504 Y507 M536 T537 W538 A542 V543 G544 Q593W305-M540 HydrophobicContact CH2-CG 3.7Å; W305-M540 HydrophobicContact CZ3-CE 3.99Å; W305-M540 HydrophobicContact CZ3-CG 3.4Å; W305-M540 HydrophobicContact CZ3-SD 3.78Å; A500-M540 HydrophobicContact CB-CB 4.31Å; L504-M540 HydrophobicContact CD2-CB 4.06Å; L504-M540 HydrophobicContact CD2-CG 3.64Å; L504-M540 HydrophobicContact CD2-SD 4.31Å; Y507-M540 HydrophobicContact CD1-SD 3.97Å; Y507-M540 HydrophobicContact CE1-CE 4.21Å; Y507-M540 HydrophobicContact CE1-SD 3.89Å; M536-M540 PolarHBondContact O-N 3.15Å; T537-M540 PolarHBondContact O-N 3.44Å; T537-M540 VanDerWaalsContact O-N 3.08Å; W538-M540 VanDerWaalsContact C-N 3.33Å; W538-M540 PolarHBondContact O-N 3.29Å; M540-A542 VanDerWaalsContact C-N 3.3Å; M540-A542 PolarHBondContact O-N 2.88Å; M540-V543 HydrophobicContact CE-CG2 4.33Å; M540-V543 PolarHBondContact O-N 3.27Å; M540-G544 PolarHBondContact O-N 2.86Å; M540-Q593 HydrophobicContact CE-CB 3.95Å
541F97.3Very high94.7Very high0 Ų023.7 Ų23.70%012%0.124CC..Hα-helixtrans-59-44.4168.1-78-83.5000111V503 L522 E526 T529 T537 W538 V543 G544 W545 L557V503-F541 HydrophobicContact CB-CE1 4.24Å; V503-F541 HydrophobicContact CB-CZ 4.29Å; V503-F541 HydrophobicContact CG1-CD1 4.1Å; V503-F541 HydrophobicContact CG1-CE1 3.41Å; V503-F541 VanDerWaalsContact CG1-CE1 3.41Å; V503-F541 HydrophobicContact CG1-CE2 4.36Å; V503-F541 HydrophobicContact CG1-CZ 3.56Å; V503-F541 HydrophobicContact CG2-CD2 4.33Å; V503-F541 HydrophobicContact CG2-CE1 4.41Å; V503-F541 HydrophobicContact CG2-CE2 3.97Å; V503-F541 HydrophobicContact CG2-CZ 4.01Å; L522-F541 HydrophobicContact CD2-CD1 3.83Å; L522-F541 HydrophobicContact CD2-CE1 4.39Å; E526-F541 HydrophobicContact CB-CD1 3.78Å; E526-F541 HydrophobicContact CB-CE1 3.47Å; E526-F541 VanDerWaalsContact CB-CE1 3.47Å; E526-F541 HydrophobicContact CB-CZ 4.19Å; E526-F541 HydrophobicContact CG-CD1 4.11Å; E526-F541 HydrophobicContact CG-CE1 4.2Å; T529-F541 HydrophobicContact CG2-CE2 4.22Å; T529-F541 WeakPolarHBondContact OG1-CZ 3.47Å; T537-F541 HydrophobicContact CG2-CD2 4.12Å; T537-F541 HydrophobicContact CG2-CE2 3.85Å; T537-F541 WeakPolarHBondContact O-CD2 3.32Å; T537-F541 PolarHBondContact O-N 2.81Å; W538-F541 HydrophobicContact CE3-CD2 4.15Å; W538-F541 HydrophobicContact CZ3-CD2 4.41Å; W538-F541 PolarHBondContact O-N 3.32Å; F541-V543 VanDerWaalsContact C-N 3.31Å; F541-V543 PolarHBondContact O-N 3.3Å; F541-G544 PolarHBondContact O-N 2.84Å; F541-G544 VanDerWaalsContact O-N 3.15Å; F541-W545 PolarHBondContact O-N 2.88Å; F541-L557 HydrophobicContact CB-CD1 3.75Å; F541-L557 HydrophobicContact CB-CD2 4.39Å
542A97.2Very high95Very high0 Ų025 Ų250%013%0.131CC..Hα-helixtrans-58.6-42.7177.200000111.7W538 S539 M540 W545 M546 L557W538-A542 WeakPolarHBondContact O-CB 3.31Å; W538-A542 PolarHBondContact O-N 3.44Å; S539-A542 WeakPolarHBondContact O-CB 3.37Å; S539-A542 PolarHBondContact O-N 3.49Å; M540-A542 VanDerWaalsContact C-N 3.3Å; M540-A542 PolarHBondContact O-N 2.88Å; A542-W545 PolarHBondContact O-N 3.29Å; A542-M546 VanDerWaalsContact C-CE 3.46Å; A542-M546 HydrophobicContact CB-CE 3.97Å; A542-M546 VanDerWaalsContact O-CE 3.26Å; A542-M546 WeakPolarHBondContact O-CE 3.39Å; A542-M546 VanDerWaalsContact O-CG 3.29Å; A542-M546 WeakPolarHBondContact O-CG 3.28Å; A542-M546 PolarHBondContact O-N 3.17Å; A542-L557 HydrophobicContact CB-CB 4.05Å
543V97.8Very high95.5Very high0 Ų022.5 Ų22.50%012%0.116CC..Hα-helixtrans-59.2-48.8173.4178.30000111.4Y507 S539 M540 F541 W545 M546 E547 A594Y507-V543 HydrophobicContact CD1-CB 4.11Å; Y507-V543 HydrophobicContact CD1-CG1 3.52Å; Y507-V543 HydrophobicContact CD1-CG2 4.18Å; Y507-V543 HydrophobicContact CE1-CG1 4.19Å; Y507-V543 HydrophobicContact CE1-CG2 4.19Å; Y507-V543 HydrophobicContact CG-CG1 3.81Å; S539-V543 WeakPolarHBondContact O-CG2 3.39Å; S539-V543 PolarHBondContact O-N 3.19Å; M540-V543 HydrophobicContact CE-CG2 4.33Å; M540-V543 PolarHBondContact O-N 3.27Å; F541-V543 VanDerWaalsContact C-N 3.31Å; F541-V543 PolarHBondContact O-N 3.3Å; V543-W545 VanDerWaalsContact C-N 3.32Å; V543-W545 PolarHBondContact O-N 3.3Å; V543-M546 WeakPolarHBondContact O-CB 3.17Å; V543-M546 PolarHBondContact O-N 3.28Å; V543-M546 VanDerWaalsContact O-N 3.11Å; V543-E547 HydrophobicContact CG1-CG 4.46Å; V543-E547 WeakPolarHBondContact O-CG 3.14Å; V543-E547 PolarHBondContact O-N 3.18Å; V543-A594 HydrophobicContact CG2-CB 4.19Å
544G97.7Very high96Very high0 Ų022.3 Ų22.30%011%0.113CC..Hα-helixtrans-59.1-41.1179.600000113.2L522 M540 F541 E547 L548L522-G544 VanDerWaalsContact CD1-C 3.47Å; M540-G544 PolarHBondContact O-N 2.86Å; F541-G544 PolarHBondContact O-N 2.84Å; F541-G544 VanDerWaalsContact O-N 3.15Å; G544-E547 WeakPolarHBondContact O-CB 3Å; G544-E547 PolarHBondContact O-N 3.38Å; G544-L548 PolarHBondContact O-N 2.89Å
545W97.9Very high96.1Very high0 Ų023.3 Ų23.30%012%0.117CC..Hα-helixtrans-69.9-33.1175.5-72.5114.4000113.2R519 L522 E523 E526 F541 A542 V543 L548 K549 D550 R553 A554 L557R519-W545 HydrophobicContact CG-CH2 4.16Å; R519-W545 HydrophobicContact CG-CZ3 4.19Å; L522-W545 HydrophobicContact CB-CH2 4.16Å; L522-W545 HydrophobicContact CB-CZ2 3.56Å; L522-W545 HydrophobicContact CD1-CD2 4.12Å; L522-W545 HydrophobicContact CD1-CE3 4.37Å; L522-W545 HydrophobicContact CD1-CG 4.47Å; L522-W545 HydrophobicContact CD1-CZ2 4.48Å; E523-W545 HydrophobicContact CG-CH2 3.66Å; E523-W545 HydrophobicContact CG-CZ2 4.01Å; E526-W545 PolarHBondContact OE2-NE1 3.48Å; F541-W545 PolarHBondContact O-N 2.88Å; A542-W545 PolarHBondContact O-N 3.29Å; V543-W545 VanDerWaalsContact C-N 3.32Å; V543-W545 PolarHBondContact O-N 3.3Å; W545-L548 HydrophobicContact CE3-CD1 4.03Å; W545-L548 HydrophobicContact CZ3-CD1 3.95Å; W545-L548 CarbonylContact O-C 3.59Å; W545-L548 PolarHBondContact O-N 3.45Å; W545-K549 PolarHBondContact O-N 2.86Å; W545-D550 HydrophobicContact CB-CB 4.43Å; W545-D550 HydrophobicContact CE3-CB 3.81Å; W545-D550 PolarHBondContact O-N 3.35Å; W545-R553 HydrophobicContact CD2-CB 4.33Å; W545-R553 HydrophobicContact CD2-CG 4.09Å; W545-R553 HydrophobicContact CG-CB 4.23Å; W545-R553 HydrophobicContact CG-CG 4.08Å; W545-R553 VanDerWaalsContact CH2-NH1 3.27Å; W545-A554 HydrophobicContact CB-CB 3.9Å; W545-L557 HydrophobicContact CG-CD1 4.32Å
546M97.4Very high96.2Very high2 Ų225.1 Ų25.11%0.0114%0.136CC..Hα-helixtrans-65.5-39.2171.2-72.9-176-94.100112.2A542 V543 L548 K549 A554 A594 C599 V614 L616A542-M546 VanDerWaalsContact C-CE 3.46Å; A542-M546 HydrophobicContact CB-CE 3.97Å; A542-M546 VanDerWaalsContact O-CE 3.26Å; A542-M546 WeakPolarHBondContact O-CE 3.39Å; A542-M546 VanDerWaalsContact O-CG 3.29Å; A542-M546 WeakPolarHBondContact O-CG 3.28Å; A542-M546 PolarHBondContact O-N 3.17Å; V543-M546 WeakPolarHBondContact O-CB 3.17Å; V543-M546 PolarHBondContact O-N 3.28Å; V543-M546 VanDerWaalsContact O-N 3.11Å; M546-L548 PolarHBondContact O-N 2.88Å; M546-K549 PolarHBondContact O-N 2.78Å; M546-A554 HydrophobicContact CG-CB 3.57Å; M546-A594 HydrophobicContact CE-CB 4.35Å; M546-A594 VanDerWaalsContact CE-O 3.26Å; M546-A594 WeakPolarHBondContact CE-O 3.29Å; M546-C599 HydrophobicContact SD-CB 4.43Å; M546-C599 PolarHBondContact SD-N 2.91Å; M546-C599 VanDerWaalsContact SD-N 3.42Å; M546-C599 VanDerWaalsContact SD-SG 3.68Å; M546-V614 HydrophobicContact CB-CG1 4.42Å; M546-V614 HydrophobicContact CG-CG1 4.04Å; M546-V614 WeakPolarHBondContact O-CG2 3.23Å; M546-L616 HydrophobicContact CG-CD2 3.97Å; M546-L616 HydrophobicContact SD-CD1 4.01Å; M546-L616 HydrophobicContact SD-CD2 3.98Å; M546-L616 HydrophobicContact SD-CG 4.2Å
547E96.2Very high96.2Very high54 Ų5425 Ų2525%0.25214%0.135SC..Hα-helixtrans-57.7-39173-69174.2151.100111.4Y507 R518 V543 G544 K549 R603Y507-E547 WeakPolarHBondContact CB-OE1 3.38Å; R518-E547 IonicContact CZ-OE2 3.1Å; R518-E547 IonicContact NE-OE2 3.48Å; R518-E547 PolarHBondContact NE-OE2 3.43Å; R518-E547 IonicContact NH2-OE2 3.78Å; R518-E547 PolarHBondContact NH2-OE2 3.3Å; V543-E547 HydrophobicContact CG1-CG 4.46Å; V543-E547 WeakPolarHBondContact O-CG 3.14Å; V543-E547 PolarHBondContact O-N 3.18Å; G544-E547 WeakPolarHBondContact O-CB 3Å; G544-E547 PolarHBondContact O-N 3.38Å; E547-K549 VanDerWaalsContact C-N 3.27Å; E547-K549 PolarHBondContact O-N 2.83Å; E547-R603 IonicContact OE1-CZ 3.69Å; E547-R603 IonicContact OE1-NE 3.78Å; E547-R603 IonicContact OE1-NH2 3.97Å; E547-R603 PolarHBondContact OE1-NH2 3.07Å
548L97Very high96.1Very high27 Ų2725 Ų2514%0.14114%0.135CC..THydrogen-bonded Turntrans-83.76177.8-63.6178.8000114.7P515 R518 R519 L522 G544 W545 M546 D550P515-L548 HydrophobicContact CB-CD2 4.12Å; R518-L548 HydrophobicContact CB-CD2 4.23Å; R518-L548 HydrophobicContact CG-CD1 4.23Å; R518-L548 HydrophobicContact CG-CD2 4.12Å; R518-L548 HydrophobicContact CG-CG 4.19Å; R519-L548 HydrophobicContact CB-CD1 3.69Å; R519-L548 HydrophobicContact CG-CD1 4.29Å; L522-L548 HydrophobicContact CD1-CD1 3.66Å; L522-L548 HydrophobicContact CD1-CG 4.48Å; G544-L548 PolarHBondContact O-N 2.89Å; W545-L548 HydrophobicContact CE3-CD1 4.03Å; W545-L548 HydrophobicContact CZ3-CD1 3.95Å; W545-L548 CarbonylContact O-C 3.59Å; W545-L548 PolarHBondContact O-N 3.45Å; M546-L548 PolarHBondContact O-N 2.88Å; L548-D550 PolarHBondContact O-N 2.93Å
549K95.6Very high96Very high93 Ų9327.1 Ų27.140%0.40415%0.147SC..THydrogen-bonded Turntrans60.524.8-178.5-47.6-56.6174.8-1680114.6W545 M546 E547 A551 D612 V614W545-K549 PolarHBondContact O-N 2.86Å; M546-K549 PolarHBondContact O-N 2.78Å; E547-K549 VanDerWaalsContact C-N 3.27Å; E547-K549 PolarHBondContact O-N 2.83Å; K549-A551 PolarHBondContact O-N 2.97Å; K549-D612 VanDerWaalsContact CE-OD2 3.25Å; K549-D612 WeakPolarHBondContact CE-OD2 3.22Å; K549-D612 PolarHBondContact NZ-O 3.27Å; K549-D612 IonicContact NZ-OD1 2.93Å; K549-D612 PolarHBondContact NZ-OD1 3.39Å; K549-D612 IonicContact NZ-OD2 2.69Å; K549-D612 PolarHBondContact NZ-OD2 3.26Å; K549-V614 HydrophobicContact CD-CG2 3.43Å; K549-V614 VanDerWaalsContact CD-CG2 3.43Å
550D96.4Very high95.9Very high48 Ų4833 Ų3326%0.25717%0.17SC..  trans-92.478.9172.1-164.3-30.4000110.7W545 L548 V552 R553 A554W545-D550 HydrophobicContact CB-CB 4.43Å; W545-D550 HydrophobicContact CE3-CB 3.81Å; W545-D550 PolarHBondContact O-N 3.35Å; L548-D550 PolarHBondContact O-N 2.93Å; D550-V552 VanDerWaalsContact C-N 3.26Å; D550-V552 PolarHBondContact O-N 2.93Å; D550-V552 PolarHBondContact OD1-N 2.92Å; D550-R553 WeakPolarHBondContact OD1-CB 3.49Å; D550-R553 PolarHBondContact OD1-N 3.5Å; D550-R553 VanDerWaalsContact OD1-N 3.1Å; D550-A554 VanDerWaalsContact O-CB 3.29Å; D550-A554 WeakPolarHBondContact O-CB 3.24Å; D550-A554 PolarHBondContact O-N 3.3Å; D550-A554 VanDerWaalsContact O-N 3.1Å
551A93.6Very high95.7Very high25 Ų2533 Ų3321%0.20717%0.17CC..Hα-helixtrans-65.7-26.8-175.600000113.5K549 R555 V614 L616K549-A551 PolarHBondContact O-N 2.97Å; A551-R555 VanDerWaalsContact O-CB 3.31Å; A551-R555 WeakPolarHBondContact O-CB 3.45Å; A551-R555 PolarHBondContact O-N 3.15Å; A551-V614 HydrophobicContact CB-CG1 4.25Å; A551-L616 HydrophobicContact CB-CD2 4.15Å
552V94.6Very high95.5Very high117 Ų11734.1 Ų34.171%0.70918%0.175SC*.Hα-helixtrans-73.6-50.3-178176.60000109.9D550 R555 G556D550-V552 VanDerWaalsContact C-N 3.26Å; D550-V552 PolarHBondContact O-N 2.93Å; D550-V552 PolarHBondContact OD1-N 2.92Å; V552-R555 PolarHBondContact O-N 3.26Å; V552-G556 PolarHBondContact O-N 3.31Å; V552-G556 VanDerWaalsContact O-N 3.15Å
553R95.6Very high95.4Very high76 Ų7637 Ų3729%0.28720%0.198SC..Hα-helixtrans-65.2-42.9178.3-166163.4-177.7174.14.8111.3E526 W545 D550 R555 G556 L557E526-R553 IonicContact OE1-CZ 2.84Å; E526-R553 IonicContact OE1-NE 3.32Å; E526-R553 PolarHBondContact OE1-NE 3.22Å; E526-R553 IonicContact OE1-NH2 3.09Å; E526-R553 PolarHBondContact OE1-NH2 2.98Å; E526-R553 IonicContact OE2-CZ 3.55Å; E526-R553 IonicContact OE2-NE 2.63Å; E526-R553 PolarHBondContact OE2-NE 3.37Å; E526-R553 IonicContact OE2-NH2 2.7Å; E526-R553 PolarHBondContact OE2-NH2 2.87Å; E526-R553 VanDerWaalsContact OE2-NH2 3.15Å; W545-R553 HydrophobicContact CD2-CB 4.33Å; W545-R553 HydrophobicContact CD2-CG 4.09Å; W545-R553 HydrophobicContact CG-CB 4.23Å; W545-R553 HydrophobicContact CG-CG 4.08Å; W545-R553 VanDerWaalsContact CH2-NH1 3.27Å; D550-R553 WeakPolarHBondContact OD1-CB 3.49Å; D550-R553 PolarHBondContact OD1-N 3.5Å; D550-R553 VanDerWaalsContact OD1-N 3.1Å; R553-R555 VanDerWaalsContact C-N 3.32Å; R553-R555 PolarHBondContact O-N 3.15Å; R553-G556 PolarHBondContact O-N 3.04Å; R553-L557 HydrophobicContact CG-CD1 4.24Å; R553-L557 WeakPolarHBondContact O-CD1 3.37Å; R553-L557 WeakPolarHBondContact O-CG 3.46Å; R553-L557 PolarHBondContact O-N 3.37Å; R553-L557 VanDerWaalsContact O-N 3.15Å
554A96.7Very high95.3Very high0 Ų037.2 Ų37.20%020%0.199CC..Hα-helixtrans-56.6-44174.600000112.8W545 M546 D550 L557 L558 L616W545-A554 HydrophobicContact CB-CB 3.9Å; M546-A554 HydrophobicContact CG-CB 3.57Å; D550-A554 VanDerWaalsContact O-CB 3.29Å; D550-A554 WeakPolarHBondContact O-CB 3.24Å; D550-A554 PolarHBondContact O-N 3.3Å; D550-A554 VanDerWaalsContact O-N 3.1Å; A554-L557 PolarHBondContact O-N 3.33Å; A554-L558 PolarHBondContact O-N 2.81Å; A554-L616 HydrophobicContact CB-CD2 3.82Å
555R94.6Very high95.3Very high24 Ų2437.9 Ų37.99%0.09120%0.203CC..Hα-helixtrans-62.5-46178.6-179.366.4-150.7-165.56.8111.9A551 V552 R553 L557 L558 D559A551-R555 VanDerWaalsContact O-CB 3.31Å; A551-R555 WeakPolarHBondContact O-CB 3.45Å; A551-R555 PolarHBondContact O-N 3.15Å; V552-R555 PolarHBondContact O-N 3.26Å; R553-R555 VanDerWaalsContact C-N 3.32Å; R553-R555 PolarHBondContact O-N 3.15Å; R555-L557 PolarHBondContact O-N 3.37Å; R555-L558 PolarHBondContact O-N 2.92Å; R555-D559 IonicContact CZ-OD1 2.84Å; R555-D559 IonicContact NE-OD1 3.07Å; R555-D559 PolarHBondContact NE-OD1 3.44Å; R555-D559 IonicContact NE-OD2 3.05Å; R555-D559 PolarHBondContact NE-OD2 3.01Å; R555-D559 VanDerWaalsContact NE-OD2 3.13Å; R555-D559 IonicContact NH2-OD1 2.73Å; R555-D559 PolarHBondContact NH2-OD1 3.37Å; R555-D559 VanDerWaalsContact O-CG 3.32Å; R555-D559 PolarHBondContact O-N 2.64Å
556G95Very high95.2Very high38 Ų3838.8 Ų38.839%0.39221%0.21SC..Hα-helixtrans-59.2-3617900000113V552 R553 R560V552-G556 PolarHBondContact O-N 3.31Å; V552-G556 VanDerWaalsContact O-N 3.15Å; R553-G556 PolarHBondContact O-N 3.04Å; G556-R560 WeakPolarHBondContact O-CG 3.46Å; G556-R560 PolarHBondContact O-N 3.34Å
557L95Very high95.1Very high3 Ų343.8 Ų43.82%0.01623%0.234CC..Hα-helixtrans-75.6-38.2177.5-65.8161.3000112.5E526 W538 F541 A542 W545 R553 A554 R555 D559 R560E526-L557 HydrophobicContact CG-CD2 4.34Å; W538-L557 HydrophobicContact CE3-CD2 3.57Å; W538-L557 HydrophobicContact CZ3-CD2 4.03Å; F541-L557 HydrophobicContact CB-CD1 3.75Å; F541-L557 HydrophobicContact CB-CD2 4.39Å; A542-L557 HydrophobicContact CB-CB 4.05Å; W545-L557 HydrophobicContact CG-CD1 4.32Å; R553-L557 HydrophobicContact CG-CD1 4.24Å; R553-L557 WeakPolarHBondContact O-CD1 3.37Å; R553-L557 WeakPolarHBondContact O-CG 3.46Å; R553-L557 PolarHBondContact O-N 3.37Å; R553-L557 VanDerWaalsContact O-N 3.15Å; A554-L557 PolarHBondContact O-N 3.33Å; R555-L557 PolarHBondContact O-N 3.37Å; L557-D559 VanDerWaalsContact C-N 3.28Å; L557-D559 PolarHBondContact O-N 3.46Å; L557-R560 WeakPolarHBondContact O-CB 3.37Å; L557-R560 PolarHBondContact O-N 2.75Å
558L93.9Very high95.1Very high0 Ų041.9 Ų41.90%023%0.226CC..Hα-helixtrans-60.4-42.3173.3-170.366.9000110.8A554 R555 R560 S561 F591 A594 V595 L616A554-L558 PolarHBondContact O-N 2.81Å; R555-L558 PolarHBondContact O-N 2.92Å; L558-R560 VanDerWaalsContact C-N 3.28Å; L558-R560 PolarHBondContact O-N 2.98Å; L558-S561 VanDerWaalsContact O-CB 3.27Å; L558-S561 WeakPolarHBondContact O-CB 3.48Å; L558-S561 PolarHBondContact O-N 3.37Å; L558-S561 VanDerWaalsContact O-N 3.09Å; L558-S561 PolarHBondContact O-OG 2.7Å; L558-F591 HydrophobicContact CD1-CD2 3.68Å; L558-F591 HydrophobicContact CD1-CE2 3.43Å; L558-F591 VanDerWaalsContact CD1-CE2 3.43Å; L558-F591 HydrophobicContact CD1-CZ 4.39Å; L558-F591 HydrophobicContact CG-CE2 3.94Å; L558-A594 HydrophobicContact CD1-CB 3.83Å; L558-V595 HydrophobicContact CD1-CG2 4.47Å; L558-V595 HydrophobicContact CD2-CG2 4.35Å; L558-L616 HydrophobicContact CD2-CD1 3.89Å
559D93.7Very high95.1Very high62 Ų6240.6 Ų40.633%0.33222%0.219SC..Hα-helixtrans-64.3-30.1178.5-69.8-27000113.1R555 L557 S561 F562R555-D559 IonicContact CZ-OD1 2.84Å; R555-D559 IonicContact NE-OD1 3.07Å; R555-D559 PolarHBondContact NE-OD1 3.44Å; R555-D559 IonicContact NE-OD2 3.05Å; R555-D559 PolarHBondContact NE-OD2 3.01Å; R555-D559 VanDerWaalsContact NE-OD2 3.13Å; R555-D559 IonicContact NH2-OD1 2.73Å; R555-D559 PolarHBondContact NH2-OD1 3.37Å; R555-D559 VanDerWaalsContact O-CG 3.32Å; R555-D559 PolarHBondContact O-N 2.64Å; L557-D559 VanDerWaalsContact C-N 3.28Å; L557-D559 PolarHBondContact O-N 3.46Å; D559-S561 PolarHBondContact O-N 3.28Å; D559-F562 HydrophobicContact CB-CD2 4.38Å; D559-F562 HydrophobicContact CB-CE2 4.35Å; D559-F562 WeakPolarHBondContact O-CB 3.21Å; D559-F562 WeakPolarHBondContact O-CD2 3.25Å; D559-F562 PolarHBondContact O-N 2.9Å; D559-F562 VanDerWaalsContact OD1-CE2 3.27Å; D559-F562 WeakPolarHBondContact OD1-CE2 3.34Å
560R93.3Very high95.2Very high123 Ų12336.5 Ų36.546%0.46420%0.201SC..Hα-helixtrans-61-29.9173.7-70.1-179.7-173-170.81.8112.6W538 G556 L557 L558 F562 A563W538-R560 HydrophobicContact CG-CB 4.3Å; G556-R560 WeakPolarHBondContact O-CG 3.46Å; G556-R560 PolarHBondContact O-N 3.34Å; L557-R560 WeakPolarHBondContact O-CB 3.37Å; L557-R560 PolarHBondContact O-N 2.75Å; L558-R560 VanDerWaalsContact C-N 3.28Å; L558-R560 PolarHBondContact O-N 2.98Å; R560-F562 PolarHBondContact O-N 3.44Å; R560-A563 WeakPolarHBondContact O-CB 3.49Å; R560-A563 PolarHBondContact O-N 2.83Å; R560-A563 VanDerWaalsContact O-N 3.14Å
561S92.7Very high95.2Very high0 Ų034.3 Ų34.30%019%0.189CC..G310 helixtrans-65.2-19.7-179.2-49.90000112.4L558 D559 A563 N564L558-S561 VanDerWaalsContact O-CB 3.27Å; L558-S561 WeakPolarHBondContact O-CB 3.48Å; L558-S561 PolarHBondContact O-N 3.37Å; L558-S561 VanDerWaalsContact O-N 3.09Å; L558-S561 PolarHBondContact O-OG 2.7Å; D559-S561 PolarHBondContact O-N 3.28Å; S561-A563 PolarHBondContact O-N 2.83Å; S561-N564 PolarHBondContact O-N 3.18Å
562F94.2Very high95.4Very high25 Ų2533.1 Ų33.111%0.1118%0.18CC..G310 helixtrans-68.5-18.9176.4-58.4-37.1000113.5L252 A255 D559 R560 N564 M565 F591L252-F562 HydrophobicContact CB-CZ 4.15Å; L252-F562 HydrophobicContact CD1-CE1 4.39Å; L252-F562 HydrophobicContact CD1-CZ 4.13Å; A255-F562 HydrophobicContact CB-CD1 4.21Å; A255-F562 HydrophobicContact CB-CE1 3.81Å; D559-F562 HydrophobicContact CB-CD2 4.38Å; D559-F562 HydrophobicContact CB-CE2 4.35Å; D559-F562 WeakPolarHBondContact O-CB 3.21Å; D559-F562 WeakPolarHBondContact O-CD2 3.25Å; D559-F562 PolarHBondContact O-N 2.9Å; D559-F562 VanDerWaalsContact OD1-CE2 3.27Å; D559-F562 WeakPolarHBondContact OD1-CE2 3.34Å; R560-F562 PolarHBondContact O-N 3.44Å; F562-N564 PolarHBondContact O-N 3.07Å; F562-M565 HydrophobicContact CD1-CE 4.36Å; F562-M565 PolarHBondContact O-N 3.49Å; F562-M565 VanDerWaalsContact O-N 3.09Å; F562-F591 AromaticContact CE1-CE2 4Å; F562-F591 HydrophobicContact CE1-CE2 4Å; F562-F591 AromaticContact CE1-CZ 3.82Å; F562-F591 HydrophobicContact CE1-CZ 3.82Å
563A95Very high95.5Very high60 Ų6027.8 Ų27.850%0.49615%0.147SC..G310 helixtrans-65.2-24.7175.600000112.4R560 S561 M565 A576R560-A563 WeakPolarHBondContact O-CB 3.49Å; R560-A563 PolarHBondContact O-N 2.83Å; R560-A563 VanDerWaalsContact O-N 3.14Å; S561-A563 PolarHBondContact O-N 2.83Å; A563-M565 VanDerWaalsContact C-N 3.33Å; A563-A576 HydrophobicContact CB-CB 3.8Å
564N96.1Very high95.5Very high4 Ų425 Ų252%0.02114%0.137CC..G310 helixtrans-82.6-9.4175.5-66.192000113.2A535 S561 F562 W572 T573 E574 N575 A576A535-N564 HydrophobicContact CB-CB 3.88Å; A535-N564 VanDerWaalsContact CB-CG 3.45Å; A535-N564 WeakPolarHBondContact CB-ND2 3.48Å; S561-N564 PolarHBondContact O-N 3.18Å; F562-N564 PolarHBondContact O-N 3.07Å; N564-W572 HydrophobicContact CB-CE3 4.04Å; N564-W572 HydrophobicContact CB-CZ3 4.39Å; N564-W572 CarbonylContact O-C 3.53Å; N564-W572 VanDerWaalsContact O-CA 3.23Å; N564-W572 WeakPolarHBondContact O-CA 3.46Å; N564-T573 WeakPolarHBondContact CB-O 3.29Å; N564-T573 PolarHBondContact ND2-O 2.83Å; N564-T573 PolarHBondContact O-N 2.89Å; N564-T573 PolarHBondContact O-OG1 3.15Å; N564-E574 PolarHBondContact ND2-O 3.3Å; N564-N575 VanDerWaalsContact ND2-C 3.25Å; N564-A576 PolarHBondContact ND2-N 3.24Å
565M96.3Very high95.5Very high14 Ų1426.6 Ų26.67%0.06915%0.146CC..EExtended strand (participates in β ladder)trans-97.1108.4-174.1-175.1179.168.600110.5Q251 A255 F562 A563 K570Q251-M565 HydrophobicContact CG-CE 3.91Å; A255-M565 HydrophobicContact CB-CE 4.19Å; A255-M565 HydrophobicContact CB-SD 3.56Å; A255-M565 VanDerWaalsContact CB-SD 3.56Å; F562-M565 HydrophobicContact CD1-CE 4.36Å; F562-M565 PolarHBondContact O-N 3.49Å; F562-M565 VanDerWaalsContact O-N 3.09Å; A563-M565 VanDerWaalsContact C-N 3.33Å; M565-K570 HydrophobicContact CE-CD 3.81Å; M565-K570 HydrophobicContact CG-CB 3.98Å; M565-K570 HydrophobicContact CG-CD 4.03Å; M565-K570 HydrophobicContact SD-CB 3.98Å; M565-K570 HydrophobicContact SD-CD 3.65Å; M565-K570 HydrophobicContact SD-CG 4.27Å
566A96.1Very high95.4Very high19 Ų1927.7 Ų27.716%0.15716%0.161CC..EExtended strand (participates in β ladder)trans-84.1140.3-178.900000113L22 K570 V571L22-A566 HydrophobicContact CD1-CB 3.88Å; L22-A566 HydrophobicContact CD2-CB 3.94Å; L22-A566 HydrophobicContact CG-CB 4.41Å; A566-K570 WeakPolarHBondContact O-CA 3.4Å; A566-K570 PolarHBondContact O-N 2.8Å; A566-V571 WeakPolarHBondContact CB-O 3.34Å; A566-V571 PolarHBondContact N-O 2.6Å; A566-V571 PolarHBondContact O-N 2.97Å
567E95.1Very high95.3Very high108 Ų10831.9 Ų31.951%0.50517%0.174SC..THydrogen-bonded Turntrans-80.5152.5170.6-67.5-62.214400111.3K570E567-K570 WeakPolarHBondContact OE1-CE 3.48Å; E567-K570 IonicContact OE1-NZ 3.66Å; E567-K570 PolarHBondContact OE1-NZ 2.69Å; E567-K570 IonicContact OE2-NZ 2.84Å; E567-K570 PolarHBondContact OE2-NZ 3.16Å
568P95.6Very high95.2Very high13 Ų1332.8 Ų32.88%0.08418%0.184CC..THydrogen-bonded Turncis-90.4-22.60.533.9-33.6000114F11 A13 K570F11-P568 WeakPolarHBondContact CB-O 3.35Å; A13-P568 HydrophobicContact CB-CB 3.42Å; A13-P568 VanDerWaalsContact CB-CB 3.42Å; A13-P568 HydrophobicContact CB-CG 3.7Å; P568-K570 VanDerWaalsContact C-N 3.26Å; P568-K570 PolarHBondContact O-N 2.67Å; P568-K570 PolarHBondContact O-NZ 3.36Å
569F97.5Very high95.2Very high1 Ų134.8 Ų34.80%0.00420%0.198CC..THydrogen-bonded Turntrans-87.112.5-167.3-51.4-56.1000114.4F11 L16 P17 A24 F80 L82 F89 Y262 V571F11-F569 WeakPolarHBondContact CD2-O 3.45Å; L16-F569 HydrophobicContact CD2-CE2 4.14Å; L16-F569 HydrophobicContact CD2-CZ 4.08Å; P17-F569 HydrophobicContact CG-CE2 4.44Å; A24-F569 HydrophobicContact CB-CB 4.16Å; A24-F569 HydrophobicContact CB-CD1 4.36Å; A24-F569 HydrophobicContact CB-CD2 3.92Å; A24-F569 HydrophobicContact CB-CE2 4.44Å; A24-F569 HydrophobicContact CB-CG 3.88Å; F80-F569 HydrophobicContact CB-CE1 4.34Å; F80-F569 HydrophobicContact CB-CZ 3.95Å; L82-F569 HydrophobicContact CB-CD1 3.84Å; L82-F569 HydrophobicContact CD2-CB 4.34Å; F89-F569 HydrophobicContact CD2-CE1 4.45Å; F89-F569 HydrophobicContact CD2-CZ 4.49Å; F89-F569 AromaticContact CE2-CE1 3.91Å; F89-F569 HydrophobicContact CE2-CE1 3.91Å; F89-F569 HydrophobicContact CE2-CE2 4.23Å; F89-F569 AromaticContact CE2-CZ 3.62Å; F89-F569 HydrophobicContact CE2-CZ 3.62Å; F89-F569 HydrophobicContact CZ-CZ 4.49Å; Y262-F569 PolarHBondContact OH-O 3.01Å; F569-V571 HydrophobicContact CB-CG2 4.16Å; F569-V571 PolarHBondContact O-N 3.46Å
570K97.3Very high95.2Very high7 Ų733.5 Ų33.53%0.0320%0.199CC..THydrogen-bonded Turntrans55.534.4178.6-48.5-64.1-179.5-85.50111.9F11 M565 A566 E567 P568F11-K570 HydrophobicContact CD1-CG 3.93Å; F11-K570 HydrophobicContact CD2-CB 4.03Å; F11-K570 HydrophobicContact CD2-CG 3.66Å; F11-K570 HydrophobicContact CE1-CG 3.91Å; F11-K570 HydrophobicContact CE2-CB 3.78Å; F11-K570 HydrophobicContact CE2-CG 3.64Å; F11-K570 HydrophobicContact CG-CG 3.83Å; F11-K570 HydrophobicContact CZ-CB 4.22Å; F11-K570 HydrophobicContact CZ-CG 3.77Å; M565-K570 HydrophobicContact CE-CD 3.81Å; M565-K570 HydrophobicContact CG-CB 3.98Å; M565-K570 HydrophobicContact CG-CD 4.03Å; M565-K570 HydrophobicContact SD-CB 3.98Å; M565-K570 HydrophobicContact SD-CD 3.65Å; M565-K570 HydrophobicContact SD-CG 4.27Å; A566-K570 WeakPolarHBondContact O-CA 3.4Å; A566-K570 PolarHBondContact O-N 2.8Å; E567-K570 WeakPolarHBondContact OE1-CE 3.48Å; E567-K570 IonicContact OE1-NZ 3.66Å; E567-K570 PolarHBondContact OE1-NZ 2.69Å; E567-K570 IonicContact OE2-NZ 2.84Å; E567-K570 PolarHBondContact OE2-NZ 3.16Å; P568-K570 VanDerWaalsContact C-N 3.26Å; P568-K570 PolarHBondContact O-N 2.67Å; P568-K570 PolarHBondContact O-NZ 3.36Å
571V97.2Very high95.3Very high1 Ų127.7 Ų27.71%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-72.9131.1175.4172.90000107.7L22 Y262 A566 F569 N583L22-V571 HydrophobicContact CD2-CG1 4.2Å; Y262-V571 VanDerWaalsContact OH-CG2 3.31Å; Y262-V571 WeakPolarHBondContact OH-CG2 3.21Å; A566-V571 WeakPolarHBondContact CB-O 3.34Å; A566-V571 PolarHBondContact N-O 2.6Å; A566-V571 PolarHBondContact O-N 2.97Å; F569-V571 HydrophobicContact CB-CG2 4.16Å; F569-V571 PolarHBondContact O-N 3.46Å; V571-N583 HydrophobicContact CG1-CB 4.2Å
572W97.5Very high95.5Very high0 Ų027.7 Ų27.70%018%0.178CC..EExtended strand (participates in β ladder)trans-87.8140.4178.9-73.743.3000111.4A535 N564 V582 N583 F584 G587 M588 F591A535-W572 HydrophobicContact CB-CE3 4.05Å; A535-W572 HydrophobicContact CB-CZ3 4.17Å; N564-W572 HydrophobicContact CB-CE3 4.04Å; N564-W572 HydrophobicContact CB-CZ3 4.39Å; N564-W572 CarbonylContact O-C 3.53Å; N564-W572 VanDerWaalsContact O-CA 3.23Å; N564-W572 WeakPolarHBondContact O-CA 3.46Å; W572-V582 CarbonylContact O-C 3.49Å; W572-N583 PolarHBondContact O-N 2.83Å; W572-F584 HydrophobicContact CB-CB 4.27Å; W572-F584 PolarHBondContact O-N 3.01Å; W572-G587 VanDerWaalsContact CE3-C 3.48Å; W572-G587 WeakPolarHBondContact CZ3-O 3.48Å; W572-M588 HydrophobicContact CB-CE 3.65Å; W572-M588 HydrophobicContact CB-CG 3.98Å; W572-M588 HydrophobicContact CD2-CG 3.75Å; W572-M588 HydrophobicContact CE3-CG 4.4Å; W572-M588 HydrophobicContact CG-CE 3.78Å; W572-M588 HydrophobicContact CG-CG 3.51Å; W572-M588 HydrophobicContact CG-SD 4.47Å; W572-F591 HydrophobicContact CH2-CB 3.31Å; W572-F591 HydrophobicContact CH2-CD1 4.04Å; W572-F591 AromaticContact CH2-CD2 3.68Å; W572-F591 HydrophobicContact CH2-CD2 3.68Å; W572-F591 HydrophobicContact CH2-CE2 4.47Å; W572-F591 AromaticContact CH2-CG 3.4Å; W572-F591 HydrophobicContact CH2-CG 3.4Å; W572-F591 VanDerWaalsContact CH2-CG 3.4Å; W572-F591 HydrophobicContact CZ2-CB 3.93Å; W572-F591 AromaticContact CZ2-CD1 3.85Å; W572-F591 HydrophobicContact CZ2-CD1 3.85Å; W572-F591 HydrophobicContact CZ2-CD2 4.18Å; W572-F591 HydrophobicContact CZ2-CE1 4.4Å; W572-F591 AromaticContact CZ2-CG 3.72Å; W572-F591 HydrophobicContact CZ2-CG 3.72Å; W572-F591 HydrophobicContact CZ3-CB 3.95Å; W572-F591 HydrophobicContact CZ3-CG 4.47Å
573T97.1Very high95.6Very high5 Ų526.7 Ų26.73%0.03117%0.174CC..BIsolated β-bridgetrans-103.6146.5167.156.80000109.1L22 N564 N575 A581 V582L22-T573 HydrophobicContact CD2-CG2 3.71Å; N564-T573 WeakPolarHBondContact CB-O 3.29Å; N564-T573 PolarHBondContact ND2-O 2.83Å; N564-T573 PolarHBondContact O-N 2.89Å; N564-T573 PolarHBondContact O-OG1 3.15Å; T573-N575 WeakPolarHBondContact CB-O 3.38Å; T573-N575 PolarHBondContact O-N 3.21Å; T573-N575 PolarHBondContact OG1-O 3.44Å; T573-A581 CarbonylContact C-O 3.59Å; T573-A581 WeakPolarHBondContact CA-O 3.42Å; T573-V582 HydrophobicContact CG2-CG1 4.23Å
574E96.5Very high95.8Very high17 Ų1723.9 Ų23.98%0.07915%0.15CC..SBendtrans-57.8-48.5177.2175.8174-163.800112.3Y294 P534 A535 N564 G580 A581 F584Y294-E574 PolarHBondContact OH-OE1 2.76Å; Y294-E574 PolarHBondContact OH-OE2 3.45Å; P534-E574 WeakPolarHBondContact CA-O 3.49Å; P534-E574 HydrophobicContact CB-CG 3.94Å; A535-E574 PolarHBondContact N-O 3.35Å; N564-E574 PolarHBondContact ND2-O 3.3Å; E574-G580 WeakPolarHBondContact OE2-CA 3.31Å; E574-A581 HydrophobicContact CB-CB 4.32Å; E574-A581 PolarHBondContact N-O 3.18Å; E574-A581 PolarHBondContact OE2-N 3.02Å; E574-F584 HydrophobicContact CB-CD1 4.06Å; E574-F584 HydrophobicContact CB-CD2 4.13Å; E574-F584 HydrophobicContact CB-CE1 4.08Å; E574-F584 HydrophobicContact CB-CE2 4.14Å; E574-F584 HydrophobicContact CB-CG 4.08Å; E574-F584 HydrophobicContact CB-CZ 4.1Å; E574-F584 HydrophobicContact CG-CD1 4.45Å; E574-F584 HydrophobicContact CG-CE1 3.96Å; E574-F584 HydrophobicContact CG-CE2 4.11Å; E574-F584 HydrophobicContact CG-CZ 3.75Å
575N95.3Very high95.9Very high34 Ų3423.8 Ų23.818%0.18215%0.149CC..SBendtrans-104149.8178.1-58.7-37000110.7Q532 N564 T573 D577 G578 S579Q532-N575 PolarHBondContact O-OD1 2.86Å; N564-N575 VanDerWaalsContact ND2-C 3.25Å; T573-N575 WeakPolarHBondContact CB-O 3.38Å; T573-N575 PolarHBondContact O-N 3.21Å; T573-N575 PolarHBondContact OG1-O 3.44Å; N575-D577 WeakPolarHBondContact CB-OD1 3.36Å; N575-D577 PolarHBondContact O-N 2.98Å; N575-G578 PolarHBondContact O-N 3.23Å; N575-G578 VanDerWaalsContact O-N 3.14Å; N575-S579 WeakPolarHBondContact CB-OG 3.17Å; N575-S579 PolarHBondContact N-O 3.14Å; N575-S579 PolarHBondContact ND2-OG 3.2Å
576A93.1Very high95.9Very high48 Ų4823.1 Ų23.140%0.39715%0.146SC..THydrogen-bonded Turntrans-69-13-176.500000114.1A563 N564 G578A563-A576 HydrophobicContact CB-CB 3.8Å; N564-A576 PolarHBondContact ND2-N 3.24Å; A576-G578 VanDerWaalsContact C-N 3.34Å
577D92.9Very high96Very high125 Ų12522.2 Ų22.267%0.66814%0.139SC*.THydrogen-bonded Turntrans-89.20.9175.368.3-6.4000113.4N575 S579N575-D577 WeakPolarHBondContact CB-OD1 3.36Å; N575-D577 PolarHBondContact O-N 2.98Å; D577-S579 WeakPolarHBondContact OD1-CB 3.23Å; D577-S579 PolarHBondContact OD1-N 3.46Å; D577-S579 PolarHBondContact OD1-OG 2.75Å; D577-S579 PolarHBondContact OD2-OG 3.49Å
578G92.8Very high96.1Very high22 Ų2217.1 Ų17.123%0.22712%0.115CC..SBendtrans87.62.1-177.700000114.8R21 N575 A576R21-G578 PolarHBondContact NH2-O 3.08Å; N575-G578 PolarHBondContact O-N 3.23Å; N575-G578 VanDerWaalsContact O-N 3.14Å; A576-G578 VanDerWaalsContact C-N 3.34Å
579S93.7Very high96.3Very high43 Ų4316.5 Ų16.530%0.30111%0.111SC..  trans-81.9173.4172.472.70000112.6N575 D577N575-S579 WeakPolarHBondContact CB-OG 3.17Å; N575-S579 PolarHBondContact N-O 3.14Å; N575-S579 PolarHBondContact ND2-OG 3.2Å; D577-S579 WeakPolarHBondContact OD1-CB 3.23Å; D577-S579 PolarHBondContact OD1-N 3.46Å; D577-S579 PolarHBondContact OD1-OG 2.75Å; D577-S579 PolarHBondContact OD2-OG 3.49Å
580G94Very high96.2Very high34 Ų3416.4 Ų16.435%0.35111%0.111SC..SBendtrans77-160.3-177.400000113.4R21 E574R21-G580 PolarHBondContact NH1-O 3.17Å; E574-G580 WeakPolarHBondContact OE2-CA 3.31Å
581A95.6Very high96.2Very high2 Ų216.1 Ų16.12%0.01711%0.109CC..  trans-63.7145.5179.100000112.2C293 Y294 T573 E574 F584C293-A581 HydrophobicContact CB-CB 4.21Å; Y294-A581 HydrophobicContact CD2-CB 3.93Å; Y294-A581 HydrophobicContact CE2-CB 3.66Å; T573-A581 CarbonylContact C-O 3.59Å; T573-A581 WeakPolarHBondContact CA-O 3.42Å; E574-A581 HydrophobicContact CB-CB 4.32Å; E574-A581 PolarHBondContact N-O 3.18Å; E574-A581 PolarHBondContact OE2-N 3.02Å; A581-F584 HydrophobicContact CB-CD2 3.75Å; A581-F584 HydrophobicContact CB-CE2 4.21Å
582V96.7Very high96.3Very high0 Ų016.1 Ų16.10%011%0.109CC..BIsolated β-bridgetrans-110.2162.6174.8-64.20000110.9R21 L22 G283 C293 W572 T573 F584R21-V582 HydrophobicContact CB-CB 4.31Å; R21-V582 HydrophobicContact CB-CG1 3.77Å; R21-V582 HydrophobicContact CB-CG2 3.88Å; R21-V582 WeakPolarHBondContact O-CG2 3.4Å; L22-V582 HydrophobicContact CD2-CG1 4.03Å; G283-V582 WeakPolarHBondContact CA-O 3.25Å; C293-V582 PolarHBondContact SG-N 2.82Å; C293-V582 VanDerWaalsContact SG-N 3.41Å; W572-V582 CarbonylContact O-C 3.49Å; T573-V582 HydrophobicContact CG2-CG1 4.23Å; V582-F584 PolarHBondContact O-N 3.41Å
583N97Very high96.3Very high4 Ų416.1 Ų16.12%0.02111%0.109CC..SBendtrans50.643.2-168-170.748.9000110.5T25 Y262 G283 V571 W572 L585T25-N583 HydrophobicContact CG2-CB 4.09Å; T25-N583 PolarHBondContact OG1-ND2 2.98Å; T25-N583 PolarHBondContact OG1-OD1 2.95Å; Y262-N583 WeakPolarHBondContact CD1-OD1 3.15Å; G283-N583 CarbonylContact C-O 3.55Å; G283-N583 PolarHBondContact O-ND2 3.43Å; V571-N583 HydrophobicContact CG1-CB 4.2Å; W572-N583 PolarHBondContact O-N 2.83Å; N583-L585 PolarHBondContact O-N 2.88Å
584F97.8Very high96.3Very high1 Ų115.9 Ų15.90%0.00411%0.108CC..  trans-71.689-166.8-169.9-124.9000110.9P282 Y294 A535 M536 W572 E574 A581 V582 T586 G587 M588P282-F584 HydrophobicContact CB-CD2 4.06Å; P282-F584 HydrophobicContact CB-CE2 3.76Å; P282-F584 CarbonylContact O-C 3.49Å; P282-F584 WeakPolarHBondContact O-CA 3.39Å; Y294-F584 HydrophobicContact CE2-CE2 4.31Å; A535-F584 HydrophobicContact CB-CD1 4.07Å; A535-F584 HydrophobicContact CB-CE1 4.19Å; M536-F584 HydrophobicContact CE-CE1 3.65Å; M536-F584 HydrophobicContact CE-CZ 3.54Å; W572-F584 HydrophobicContact CB-CB 4.27Å; W572-F584 PolarHBondContact O-N 3.01Å; E574-F584 HydrophobicContact CB-CD1 4.06Å; E574-F584 HydrophobicContact CB-CD2 4.13Å; E574-F584 HydrophobicContact CB-CE1 4.08Å; E574-F584 HydrophobicContact CB-CE2 4.14Å; E574-F584 HydrophobicContact CB-CG 4.08Å; E574-F584 HydrophobicContact CB-CZ 4.1Å; E574-F584 HydrophobicContact CG-CD1 4.45Å; E574-F584 HydrophobicContact CG-CE1 3.96Å; E574-F584 HydrophobicContact CG-CE2 4.11Å; E574-F584 HydrophobicContact CG-CZ 3.75Å; A581-F584 HydrophobicContact CB-CD2 3.75Å; A581-F584 HydrophobicContact CB-CE2 4.21Å; V582-F584 PolarHBondContact O-N 3.41Å; F584-T586 HydrophobicContact CE1-CG2 4.31Å; F584-T586 VanDerWaalsContact CZ-CB 3.5Å; F584-T586 HydrophobicContact CZ-CG2 4.07Å; F584-T586 PolarHBondContact O-N 2.99Å; F584-G587 PolarHBondContact O-N 3.26Å; F584-G587 VanDerWaalsContact O-N 3.16Å; F584-M588 PolarHBondContact O-N 3.42Å
585L98.1Very high96.3Very high1 Ų115.1 Ų15.11%0.00510%0.104CC..Hα-helixtrans-59.3-28.1-179.5-64.2-171.9000111.6A266 P282 M306 N583 M588 G589A266-L585 HydrophobicContact CB-CD1 4.08Å; P282-L585 PolarHBondContact O-N 2.77Å; M306-L585 HydrophobicContact CE-CB 3.77Å; M306-L585 HydrophobicContact CG-CB 4.49Å; M306-L585 HydrophobicContact SD-CB 3.77Å; M306-L585 HydrophobicContact SD-CD1 4.27Å; N583-L585 PolarHBondContact O-N 2.88Å; L585-M588 HydrophobicContact CD2-SD 4.07Å; L585-M588 PolarHBondContact O-N 2.8Å; L585-G589 PolarHBondContact O-N 3.3Å
586T97.9Very high96.3Very high0 Ų013.5 Ų13.50%010%0.096CC..Hα-helixtrans-63.6-49175.9-51.90000111.9P282 D301 W305 M536 F584 G589 G590P282-T586 WeakPolarHBondContact CB-OG1 3.44Å; D301-T586 HydrophobicContact CB-CG2 4.01Å; D301-T586 WeakPolarHBondContact CB-OG1 2.92Å; D301-T586 VanDerWaalsContact OD1-CB 3.31Å; D301-T586 WeakPolarHBondContact OD1-CB 3.39Å; D301-T586 WeakPolarHBondContact OD1-CG2 3.34Å; D301-T586 PolarHBondContact OD1-OG1 3.31Å; W305-T586 HydrophobicContact CB-CG2 3.65Å; W305-T586 HydrophobicContact CD2-CG2 4.28Å; W305-T586 HydrophobicContact CG-CG2 3.44Å; W305-T586 VanDerWaalsContact CG-CG2 3.44Å; M536-T586 HydrophobicContact CE-CG2 3.24Å; M536-T586 HydrophobicContact CG-CG2 4.42Å; F584-T586 HydrophobicContact CE1-CG2 4.31Å; F584-T586 VanDerWaalsContact CZ-CB 3.5Å; F584-T586 HydrophobicContact CZ-CG2 4.07Å; F584-T586 PolarHBondContact O-N 2.99Å; T586-G589 PolarHBondContact O-N 2.82Å; T586-G590 PolarHBondContact O-N 3.32Å
587G97.4Very high96.5Very high0 Ų011.6 Ų11.60%08%0.079CC..Hα-helixtrans-60.9-45.817600000111.8W572 F584 G589 G590 F591W572-G587 VanDerWaalsContact CE3-C 3.48Å; W572-G587 WeakPolarHBondContact CZ3-O 3.48Å; F584-G587 PolarHBondContact O-N 3.26Å; F584-G587 VanDerWaalsContact O-N 3.16Å; G587-G589 VanDerWaalsContact C-N 3.33Å; G587-G589 PolarHBondContact O-N 2.97Å; G587-G590 PolarHBondContact O-N 3.18Å; G587-F591 WeakPolarHBondContact O-CB 3.41Å; G587-F591 PolarHBondContact O-N 2.89Å
588M98Very high96.7Very high1 Ų15.9 Ų5.91%0.0055%0.049CC..Hα-helixtrans-60.5-41.5175.4-65178.8-166.400112Y262 W572 F584 L585 F591 L592Y262-M588 WeakPolarHBondContact CB-SD 3.44Å; Y262-M588 HydrophobicContact CD2-CE 3.41Å; Y262-M588 VanDerWaalsContact CD2-CE 3.41Å; Y262-M588 HydrophobicContact CD2-SD 3.71Å; Y262-M588 HydrophobicContact CE2-CE 4.03Å; Y262-M588 HydrophobicContact CG-CE 3.85Å; Y262-M588 HydrophobicContact CG-SD 3.91Å; W572-M588 HydrophobicContact CB-CE 3.65Å; W572-M588 HydrophobicContact CB-CG 3.98Å; W572-M588 HydrophobicContact CD2-CG 3.75Å; W572-M588 HydrophobicContact CE3-CG 4.4Å; W572-M588 HydrophobicContact CG-CE 3.78Å; W572-M588 HydrophobicContact CG-CG 3.51Å; W572-M588 HydrophobicContact CG-SD 4.47Å; F584-M588 PolarHBondContact O-N 3.42Å; L585-M588 HydrophobicContact CD2-SD 4.07Å; L585-M588 PolarHBondContact O-N 2.8Å; M588-F591 PolarHBondContact O-N 2.82Å; M588-L592 WeakPolarHBondContact O-CB 3.47Å; M588-L592 VanDerWaalsContact O-CG 3.26Å; M588-L592 WeakPolarHBondContact O-CG 3.37Å; M588-L592 PolarHBondContact O-N 2.78Å
589G97.9Very high96.9Very high0 Ų04.9 Ų4.90%04%0.038CC..Hα-helixtrans-62.3-49.2176.600000111.9W305 L585 T586 G587 F591 L592 Q593W305-G589 CarbonylContact O-C 3.53Å; W305-G589 VanDerWaalsContact O-C 3.24Å; W305-G589 VanDerWaalsContact O-CA 3.23Å; W305-G589 WeakPolarHBondContact O-CA 3.44Å; L585-G589 PolarHBondContact O-N 3.3Å; T586-G589 PolarHBondContact O-N 2.82Å; G587-G589 VanDerWaalsContact C-N 3.33Å; G587-G589 PolarHBondContact O-N 2.97Å; G589-F591 VanDerWaalsContact C-N 3.32Å; G589-F591 PolarHBondContact O-N 2.88Å; G589-L592 PolarHBondContact O-N 2.8Å; G589-Q593 VanDerWaalsContact O-CG 3.32Å; G589-Q593 WeakPolarHBondContact O-CG 3.46Å; G589-Q593 PolarHBondContact O-N 2.74Å
590G97.1Very high97Very high0 Ų02.9 Ų2.90%02%0.024CC..Hα-helixtrans-57.3-43.4173.400000112.8S539 T586 G587 Q593 A594S539-G590 VanDerWaalsContact CB-C 3.5Å; S539-G590 VanDerWaalsContact CB-O 3.24Å; S539-G590 WeakPolarHBondContact CB-O 3.23Å; T586-G590 PolarHBondContact O-N 3.32Å; G587-G590 PolarHBondContact O-N 3.18Å; G590-Q593 WeakPolarHBondContact O-CB 3.47Å; G590-Q593 PolarHBondContact O-N 3.31Å; G590-A594 PolarHBondContact O-N 2.98Å
591F97.6Very high97.2Very high0 Ų01.8 Ų1.80%01%0.013CC..Hα-helixtrans-65.8-44.4178.2-179.3-104.5000113.3L252 A255 L256 S539 L558 F562 W572 G587 M588 G589 Q593 A594 V595L252-F591 HydrophobicContact CD1-CE1 4.45Å; L252-F591 HydrophobicContact CD1-CZ 3.67Å; A255-F591 HydrophobicContact CB-CE1 3.76Å; A255-F591 HydrophobicContact CB-CZ 3.87Å; L256-F591 HydrophobicContact CD2-CD1 4.1Å; L256-F591 HydrophobicContact CD2-CE1 3.49Å; L256-F591 VanDerWaalsContact CD2-CE1 3.49Å; L256-F591 HydrophobicContact CD2-CZ 4.18Å; L256-F591 HydrophobicContact CG-CE1 3.92Å; L256-F591 HydrophobicContact CG-CZ 4.47Å; S539-F591 WeakPolarHBondContact OG-CA 3.45Å; S539-F591 PolarHBondContact OG-N 3.25Å; L558-F591 HydrophobicContact CD1-CD2 3.68Å; L558-F591 HydrophobicContact CD1-CE2 3.43Å; L558-F591 VanDerWaalsContact CD1-CE2 3.43Å; L558-F591 HydrophobicContact CD1-CZ 4.39Å; L558-F591 HydrophobicContact CG-CE2 3.94Å; F562-F591 AromaticContact CE1-CE2 4Å; F562-F591 HydrophobicContact CE1-CE2 4Å; F562-F591 AromaticContact CE1-CZ 3.82Å; F562-F591 HydrophobicContact CE1-CZ 3.82Å; W572-F591 HydrophobicContact CH2-CB 3.31Å; W572-F591 HydrophobicContact CH2-CD1 4.04Å; W572-F591 AromaticContact CH2-CD2 3.68Å; W572-F591 HydrophobicContact CH2-CD2 3.68Å; W572-F591 HydrophobicContact CH2-CE2 4.47Å; W572-F591 AromaticContact CH2-CG 3.4Å; W572-F591 HydrophobicContact CH2-CG 3.4Å; W572-F591 VanDerWaalsContact CH2-CG 3.4Å; W572-F591 HydrophobicContact CZ2-CB 3.93Å; W572-F591 AromaticContact CZ2-CD1 3.85Å; W572-F591 HydrophobicContact CZ2-CD1 3.85Å; W572-F591 HydrophobicContact CZ2-CD2 4.18Å; W572-F591 HydrophobicContact CZ2-CE1 4.4Å; W572-F591 AromaticContact CZ2-CG 3.72Å; W572-F591 HydrophobicContact CZ2-CG 3.72Å; W572-F591 HydrophobicContact CZ3-CB 3.95Å; W572-F591 HydrophobicContact CZ3-CG 4.47Å; G587-F591 WeakPolarHBondContact O-CB 3.41Å; G587-F591 PolarHBondContact O-N 2.89Å; M588-F591 PolarHBondContact O-N 2.82Å; G589-F591 VanDerWaalsContact C-N 3.32Å; G589-F591 PolarHBondContact O-N 2.88Å; F591-Q593 PolarHBondContact O-N 3.14Å; F591-A594 WeakPolarHBondContact O-CB 3.33Å; F591-A594 PolarHBondContact O-N 3.27Å; F591-V595 PolarHBondContact O-N 3.36Å
592L97.6Very high97.3Very high2 Ų21.7 Ų1.71%0.011%0.012CC..Hα-helixtrans-59.5-39.6172.7-73.6170.8000110.5L244 L256 L260 L263 M588 G589 A594 V595 V596L244-L592 HydrophobicContact CD2-CD2 3.8Å; L256-L592 HydrophobicContact CD2-CD2 4.42Å; L260-L592 HydrophobicContact CB-CD2 4.14Å; L260-L592 HydrophobicContact CD1-CD1 4.38Å; L263-L592 HydrophobicContact CB-CD1 4.41Å; L263-L592 HydrophobicContact CD2-CD1 3.69Å; M588-L592 WeakPolarHBondContact O-CB 3.47Å; M588-L592 VanDerWaalsContact O-CG 3.26Å; M588-L592 WeakPolarHBondContact O-CG 3.37Å; M588-L592 PolarHBondContact O-N 2.78Å; G589-L592 PolarHBondContact O-N 2.8Å; L592-A594 VanDerWaalsContact C-N 3.35Å; L592-A594 PolarHBondContact O-N 3.09Å; L592-V595 PolarHBondContact O-N 3.3Å; L592-V596 WeakPolarHBondContact O-CB 3.34Å; L592-V596 VanDerWaalsContact O-CG2 3.3Å; L592-V596 WeakPolarHBondContact O-CG2 3.47Å; L592-V596 PolarHBondContact O-N 2.84Å
593Q97.9Very high97.3Very high0 Ų04 Ų40%02%0.021CC..Hα-helixtrans-63.7-39.3176.7-73.5-173.449.700112.8L304 W305 Y507 M540 G589 G590 F591 V595 V596 F597 G598L304-Q593 PolarHBondContact O-NE2 2.87Å; W305-Q593 VanDerWaalsContact C-NE2 3.29Å; W305-Q593 VanDerWaalsContact CA-NE2 3.32Å; W305-Q593 PolarHBondContact O-NE2 3.17Å; Y507-Q593 HydrophobicContact CE1-CB 4.38Å; Y507-Q593 VanDerWaalsContact CZ-OE1 3.32Å; Y507-Q593 PolarHBondContact OH-OE1 3.09Å; M540-Q593 HydrophobicContact CE-CB 3.95Å; G589-Q593 VanDerWaalsContact O-CG 3.32Å; G589-Q593 WeakPolarHBondContact O-CG 3.46Å; G589-Q593 PolarHBondContact O-N 2.74Å; G590-Q593 WeakPolarHBondContact O-CB 3.47Å; G590-Q593 PolarHBondContact O-N 3.31Å; F591-Q593 PolarHBondContact O-N 3.14Å; Q593-V595 PolarHBondContact O-N 3.19Å; Q593-V596 PolarHBondContact O-N 3.36Å; Q593-F597 HydrophobicContact CB-CD2 3.96Å; Q593-F597 HydrophobicContact CG-CD2 3.87Å; Q593-F597 HydrophobicContact CG-CE2 3.95Å; Q593-F597 WeakPolarHBondContact O-CA 3.5Å; Q593-F597 WeakPolarHBondContact O-CB 3.34Å; Q593-F597 PolarHBondContact O-N 2.71Å; Q593-G598 PolarHBondContact O-N 2.9Å
594A96.9Very high97.3Very high0 Ų04.7 Ų4.70%03%0.025CC..Iπ-helixtrans-56.9-39.5176.300000112.4V543 M546 L558 G590 F591 L592 G598 C599V543-A594 HydrophobicContact CG2-CB 4.19Å; M546-A594 HydrophobicContact CE-CB 4.35Å; M546-A594 VanDerWaalsContact CE-O 3.26Å; M546-A594 WeakPolarHBondContact CE-O 3.29Å; L558-A594 HydrophobicContact CD1-CB 3.83Å; G590-A594 PolarHBondContact O-N 2.98Å; F591-A594 WeakPolarHBondContact O-CB 3.33Å; F591-A594 PolarHBondContact O-N 3.27Å; L592-A594 VanDerWaalsContact C-N 3.35Å; L592-A594 PolarHBondContact O-N 3.09Å; A594-G598 CarbonylContact O-C 3.47Å; A594-G598 WeakPolarHBondContact O-CA 3.49Å; A594-G598 PolarHBondContact O-N 3.14Å; A594-C599 PolarHBondContact O-N 3.33Å
595V96.1Very high97.1Very high0 Ų07.3 Ų7.30%04%0.041CC..Iπ-helixtrans-83.6-45.3178.7-174.50000112L244 V246 L256 L558 F591 L592 Q593 C599 V622L244-V595 HydrophobicContact CD1-CG1 4Å; L244-V595 HydrophobicContact CD2-CB 4.27Å; L244-V595 HydrophobicContact CD2-CG1 4.21Å; L244-V595 HydrophobicContact CG-CG1 4.45Å; V246-V595 HydrophobicContact CG1-CG1 4.3Å; L256-V595 HydrophobicContact CD1-CG1 4.31Å; L256-V595 HydrophobicContact CD2-CB 3.87Å; L256-V595 HydrophobicContact CD2-CG1 4.18Å; L256-V595 HydrophobicContact CD2-CG2 3.55Å; L558-V595 HydrophobicContact CD1-CG2 4.47Å; L558-V595 HydrophobicContact CD2-CG2 4.35Å; F591-V595 PolarHBondContact O-N 3.36Å; L592-V595 PolarHBondContact O-N 3.3Å; Q593-V595 PolarHBondContact O-N 3.19Å; V595-C599 VanDerWaalsContact O-CB 3.31Å; V595-C599 WeakPolarHBondContact O-CB 3.27Å; V595-C599 PolarHBondContact O-N 3.42Å; V595-V622 HydrophobicContact CG1-CG1 4.31Å
596V96.3Very high96.8Very high0 Ų013.8 Ų13.80%07%0.066CC..Iπ-helixtrans-69.8-40.7-176.71750000112L244 F313 L592 Q593 T600 F602L244-V596 HydrophobicContact CD1-CG2 4.16Å; L244-V596 HydrophobicContact CD2-CG2 3.69Å; L244-V596 HydrophobicContact CG-CG2 4.47Å; F313-V596 HydrophobicContact CE2-CG2 4.48Å; F313-V596 HydrophobicContact CZ-CG2 4.37Å; L592-V596 WeakPolarHBondContact O-CB 3.34Å; L592-V596 VanDerWaalsContact O-CG2 3.3Å; L592-V596 WeakPolarHBondContact O-CG2 3.47Å; L592-V596 PolarHBondContact O-N 2.84Å; Q593-V596 PolarHBondContact O-N 3.36Å; V596-T600 WeakPolarHBondContact O-CB 3.43Å; V596-T600 VanDerWaalsContact O-CG2 3.24Å; V596-T600 WeakPolarHBondContact O-CG2 3.22Å; V596-T600 PolarHBondContact O-OG1 3.27Å; V596-F602 HydrophobicContact CG1-CD2 4.42Å; V596-F602 WeakPolarHBondContact O-CD2 3.43Å
597F97.4Very high96.6Very high9 Ų916 Ų164%0.0398%0.084CC..Iπ-helixtrans-110.1-23.3-175.5-58-85.8000113.2P308 M312 Y507 Q593 G601 F602 R603P308-F597 HydrophobicContact CB-CE2 3.85Å; P308-F597 HydrophobicContact CB-CZ 3.81Å; M312-F597 HydrophobicContact CG-CE1 3.84Å; M312-F597 HydrophobicContact CG-CZ 3.58Å; M312-F597 HydrophobicContact SD-CE1 4.44Å; Y507-F597 HydrophobicContact CE1-CB 4.37Å; Y507-F597 HydrophobicContact CE2-CB 3.58Å; Y507-F597 HydrophobicContact CE2-CD1 4.18Å; Y507-F597 HydrophobicContact CE2-CD2 4.48Å; Y507-F597 AromaticContact CE2-CG 3.86Å; Y507-F597 HydrophobicContact CE2-CG 3.86Å; Y507-F597 VanDerWaalsContact CZ-CB 3.49Å; Y507-F597 AromaticContact CZ-CD2 3.97Å; Y507-F597 AromaticContact CZ-CG 3.76Å; Y507-F597 WeakPolarHBondContact OH-CB 3.41Å; Y507-F597 WeakPolarHBondContact OH-CD2 3.33Å; Y507-F597 WeakPolarHBondContact OH-CG 3.41Å; Q593-F597 HydrophobicContact CB-CD2 3.96Å; Q593-F597 HydrophobicContact CG-CD2 3.87Å; Q593-F597 HydrophobicContact CG-CE2 3.95Å; Q593-F597 WeakPolarHBondContact O-CA 3.5Å; Q593-F597 WeakPolarHBondContact O-CB 3.34Å; Q593-F597 PolarHBondContact O-N 2.71Å; F597-G601 VanDerWaalsContact O-CA 3.27Å; F597-G601 WeakPolarHBondContact O-CA 3.49Å; F597-G601 PolarHBondContact O-N 2.73Å; F597-F602 HydrophobicContact CD1-CB 3.78Å; F597-F602 WeakPolarHBondContact CD1-O 3.39Å; F597-F602 HydrophobicContact CE1-CB 4.35Å; F597-R603 PolarHBondContact O-NH1 2.82Å
598G97Very high96.5Very high4 Ų416 Ų164%0.0418%0.084CC..Iπ-helixtrans-77.7-63.2172.100000111.9Q593 A594 T600 G601Q593-G598 PolarHBondContact O-N 2.9Å; A594-G598 CarbonylContact O-C 3.47Å; A594-G598 WeakPolarHBondContact O-CA 3.49Å; A594-G598 PolarHBondContact O-N 3.14Å; G598-T600 VanDerWaalsContact C-N 3.32Å; G598-T600 PolarHBondContact O-N 2.89Å; G598-G601 PolarHBondContact O-N 3.49Å
599C96.7Very high96.5Very high2 Ų216 Ų161%0.0148%0.084CC..Iπ-helixtrans-63.6-34.8-175.7-61.10000113.3M546 A594 V595 P613 V614 V622M546-C599 HydrophobicContact SD-CB 4.43Å; M546-C599 PolarHBondContact SD-N 2.91Å; M546-C599 VanDerWaalsContact SD-N 3.42Å; M546-C599 VanDerWaalsContact SD-SG 3.68Å; A594-C599 PolarHBondContact O-N 3.33Å; V595-C599 VanDerWaalsContact O-CB 3.31Å; V595-C599 WeakPolarHBondContact O-CB 3.27Å; V595-C599 PolarHBondContact O-N 3.42Å; C599-P613 CarbonylContact O-C 3.51Å; C599-P613 VanDerWaalsContact O-CA 3.24Å; C599-P613 WeakPolarHBondContact O-CA 3.4Å; C599-V614 PolarHBondContact O-N 3.48Å; C599-V622 HydrophobicContact CB-CG2 4.06Å
600T97Very high96.5Very high0 Ų017.5 Ų17.50%09%0.093CC..SBendtrans-87-21.2178.976.40000112.9V596 G598 F602 D612 V622 V624 F638V596-T600 WeakPolarHBondContact O-CB 3.43Å; V596-T600 VanDerWaalsContact O-CG2 3.24Å; V596-T600 WeakPolarHBondContact O-CG2 3.22Å; V596-T600 PolarHBondContact O-OG1 3.27Å; G598-T600 VanDerWaalsContact C-N 3.32Å; G598-T600 PolarHBondContact O-N 2.89Å; T600-F602 VanDerWaalsContact C-N 3.3Å; T600-F602 HydrophobicContact CG2-CD2 4.18Å; T600-F602 HydrophobicContact CG2-CE2 4Å; T600-F602 WeakPolarHBondContact OG1-CB 3.46Å; T600-F602 WeakPolarHBondContact OG1-CD2 3.31Å; T600-F602 WeakPolarHBondContact OG1-CG 3.45Å; T600-F602 PolarHBondContact OG1-N 3.13Å; T600-D612 CarbonylContact O-C 3.59Å; T600-D612 PolarHBondContact O-N 2.87Å; T600-V622 HydrophobicContact CG2-CG1 4.44Å; T600-V624 HydrophobicContact CG2-CG2 3.93Å; T600-F638 HydrophobicContact CG2-CD2 3.82Å; T600-F638 HydrophobicContact CG2-CE2 3.41Å; T600-F638 VanDerWaalsContact CG2-CE2 3.41Å; T600-F638 HydrophobicContact CG2-CZ 4.09Å
601G96.9Very high96.5Very high11 Ų1117.5 Ų17.511%0.1139%0.093CC..  trans67.822.8-169.800000114.4F597 G598 R603F597-G601 VanDerWaalsContact O-CA 3.27Å; F597-G601 WeakPolarHBondContact O-CA 3.49Å; F597-G601 PolarHBondContact O-N 2.73Å; G598-G601 PolarHBondContact O-N 3.49Å; G601-R603 PolarHBondContact O-N 2.92Å
602F97.7Very high96.5Very high0 Ų020.6 Ų20.60%011%0.11CC..  trans-60127.1-179.5-75.8-36.4000112.7M312 V596 F597 T600 V609 T610 F611 I627 F636 F638M312-F602 HydrophobicContact CE-CD2 4.3Å; V596-F602 HydrophobicContact CG1-CD2 4.42Å; V596-F602 WeakPolarHBondContact O-CD2 3.43Å; F597-F602 HydrophobicContact CD1-CB 3.78Å; F597-F602 WeakPolarHBondContact CD1-O 3.39Å; F597-F602 HydrophobicContact CE1-CB 4.35Å; T600-F602 VanDerWaalsContact C-N 3.3Å; T600-F602 HydrophobicContact CG2-CD2 4.18Å; T600-F602 HydrophobicContact CG2-CE2 4Å; T600-F602 WeakPolarHBondContact OG1-CB 3.46Å; T600-F602 WeakPolarHBondContact OG1-CD2 3.31Å; T600-F602 WeakPolarHBondContact OG1-CG 3.45Å; T600-F602 PolarHBondContact OG1-N 3.13Å; F602-V609 HydrophobicContact CB-CG1 4.5Å; F602-V609 HydrophobicContact CD1-CG1 3.81Å; F602-V609 HydrophobicContact CE1-CG1 4.41Å; F602-V609 HydrophobicContact CG-CG1 4.32Å; F602-T610 CarbonylContact C-O 3.57Å; F602-T610 WeakPolarHBondContact CA-O 3.29Å; F602-F611 HydrophobicContact CD1-CB 3.8Å; F602-F611 HydrophobicContact CE1-CB 3.81Å; F602-I627 HydrophobicContact CE2-CD1 4.29Å; F602-I627 HydrophobicContact CE2-CG1 4.13Å; F602-F636 HydrophobicContact CE1-CD1 4.2Å; F602-F636 HydrophobicContact CE1-CD2 4.43Å; F602-F636 AromaticContact CE1-CE1 3.96Å; F602-F636 HydrophobicContact CE1-CE1 3.96Å; F602-F636 HydrophobicContact CE1-CE2 4.19Å; F602-F636 HydrophobicContact CE1-CG 4.43Å; F602-F636 AromaticContact CE1-CZ 3.96Å; F602-F636 HydrophobicContact CE1-CZ 3.96Å; F602-F636 HydrophobicContact CZ-CB 4.37Å; F602-F636 AromaticContact CZ-CD1 3.95Å; F602-F636 HydrophobicContact CZ-CD1 3.95Å; F602-F636 AromaticContact CZ-CD2 3.65Å; F602-F636 HydrophobicContact CZ-CD2 3.65Å; F602-F636 HydrophobicContact CZ-CE1 4.07Å; F602-F636 AromaticContact CZ-CE2 3.77Å; F602-F636 HydrophobicContact CZ-CE2 3.77Å; F602-F636 AromaticContact CZ-CG 3.74Å; F602-F636 HydrophobicContact CZ-CG 3.74Å; F602-F636 AromaticContact CZ-CZ 3.99Å; F602-F636 HydrophobicContact CZ-CZ 3.99Å; F602-F638 HydrophobicContact CE1-CZ 4Å; F602-F638 HydrophobicContact CZ-CE2 4.06Å; F602-F638 AromaticContact CZ-CZ 3.76Å; F602-F638 HydrophobicContact CZ-CZ 3.76Å
603R97.3Very high96.4Very high49 Ų4920.6 Ų20.619%0.18511%0.11CC..EExtended strand (participates in β ladder)trans-134.1125.8166.7-55.9-72.7177.4-86.95.1109.2E547 F597 G601 V609 T610E547-R603 IonicContact OE1-CZ 3.69Å; E547-R603 IonicContact OE1-NE 3.78Å; E547-R603 IonicContact OE1-NH2 3.97Å; E547-R603 PolarHBondContact OE1-NH2 3.07Å; F597-R603 PolarHBondContact O-NH1 2.82Å; G601-R603 PolarHBondContact O-N 2.92Å; R603-V609 CarbonylContact O-C 3.51Å; R603-V609 WeakPolarHBondContact O-CA 3.24Å; R603-T610 WeakPolarHBondContact CB-OG1 3.41Å; R603-T610 PolarHBondContact N-O 2.63Å; R603-T610 PolarHBondContact O-N 2.75Å
604V95.9Very high96.3Very high19 Ų1921.1 Ų21.112%0.11511%0.113CC..EExtended strand (participates in β ladder)trans-87.3128175.4179.40000108.3M312 L380 H383 T384 V609M312-V604 HydrophobicContact SD-CG2 3.86Å; L380-V604 HydrophobicContact CD2-CB 4.14Å; H383-V604 HydrophobicContact CB-CG1 3.7Å; T384-V604 VanDerWaalsContact OG1-CG1 3.26Å; T384-V604 WeakPolarHBondContact OG1-CG1 3.23Å; V604-V609 HydrophobicContact CG2-CG2 4.33Å
605T94.5Very high96Very high55 Ų5523 Ų2334%0.33713%0.125SC..EExtended strand (participates in β ladder)trans-140.2169.3175.667.80000109.7A607 G608T605-A607 PolarHBondContact O-N 3.28Å; T605-A607 VanDerWaalsContact O-N 3.1Å; T605-A607 PolarHBondContact OG1-N 3.14Å; T605-G608 PolarHBondContact N-O 2.57Å; T605-G608 PolarHBondContact O-N 3.23Å; T605-G608 PolarHBondContact OG1-N 2.9Å; T605-G608 PolarHBondContact OG1-O 2.83Å
606R92.4Very high95.8Very high137 Ų13723.2 Ų23.252%0.51713%0.127SC..THydrogen-bonded Turntrans-52.7-31.3171-168.4176.6-172176.28.1113.7D458D458-R606 IonicContact OD1-CZ 3.01Å; D458-R606 IonicContact OD1-NH2 2.67Å; D458-R606 PolarHBondContact OD1-NH2 3.04Å; D458-R606 IonicContact OD2-CZ 3.63Å; D458-R606 IonicContact OD2-NH2 2.94Å; D458-R606 PolarHBondContact OD2-NH2 3.16Å
607A93.4Very high95.4Very high46 Ų4627.3 Ų27.338%0.3816%0.155SC..THydrogen-bonded Turntrans-81.3-18.9-178.100000113.5T605T605-A607 PolarHBondContact O-N 3.28Å; T605-A607 VanDerWaalsContact O-N 3.1Å; T605-A607 PolarHBondContact OG1-N 3.14Å
608G95.8Very high94.9Very high0 Ų029.3 Ų29.30%018%0.179CC..EExtended strand (participates in β ladder)trans144.8-169.7-175.700000114.1T605 Y629 I686T605-G608 PolarHBondContact N-O 2.57Å; T605-G608 PolarHBondContact O-N 3.23Å; T605-G608 PolarHBondContact OG1-N 2.9Å; T605-G608 PolarHBondContact OG1-O 2.83Å; G608-Y629 WeakPolarHBondContact CA-OH 3.47Å; G608-I686 VanDerWaalsContact CA-O 3.3Å; G608-I686 WeakPolarHBondContact CA-O 2.99Å
609V97.7Very high94.7Very high3 Ų329.5 Ų29.52%0.01818%0.179CC..EExtended strand (participates in β ladder)trans-101.5105.7176.6-174.40000108.4M312 F602 R603 V604 Y629 R685 I686M312-V609 HydrophobicContact CE-CG1 4.37Å; F602-V609 HydrophobicContact CB-CG1 4.5Å; F602-V609 HydrophobicContact CD1-CG1 3.81Å; F602-V609 HydrophobicContact CE1-CG1 4.41Å; F602-V609 HydrophobicContact CG-CG1 4.32Å; R603-V609 CarbonylContact O-C 3.51Å; R603-V609 WeakPolarHBondContact O-CA 3.24Å; V604-V609 HydrophobicContact CG2-CG2 4.33Å; V609-Y629 HydrophobicContact CG2-CD1 4.49Å; V609-Y629 HydrophobicContact CG2-CD2 3.35Å; V609-Y629 HydrophobicContact CG2-CE2 3.71Å; V609-Y629 HydrophobicContact CG2-CG 3.79Å; V609-R685 WeakPolarHBondContact O-CA 3.32Å; V609-I686 HydrophobicContact CB-CB 4.46Å; V609-I686 PolarHBondContact N-O 3.15Å; V609-I686 PolarHBondContact O-N 3.3Å
610T97.6Very high94.4Very high30 Ų3032.5 Ų32.518%0.18420%0.2CC..EExtended strand (participates in β ladder)trans-76.5154.6172.565.70000110.2F602 R603 W663 G684 R685F602-T610 CarbonylContact C-O 3.57Å; F602-T610 WeakPolarHBondContact CA-O 3.29Å; R603-T610 WeakPolarHBondContact CB-OG1 3.41Å; R603-T610 PolarHBondContact N-O 2.63Å; R603-T610 PolarHBondContact O-N 2.75Å; T610-W663 HydrophobicContact CG2-CH2 3.87Å; T610-W663 HydrophobicContact CG2-CZ3 4.14Å; T610-G684 CarbonylContact C-O 3.4Å; T610-G684 WeakPolarHBondContact CA-O 3.45Å; T610-R685 HydrophobicContact CG2-CB 4.18Å; T610-R685 HydrophobicContact CG2-CG 4.13Å
611F97.7Very high94.4Very high0 Ų037.8 Ų37.80%022%0.22CC..EExtended strand (participates in β ladder)trans-137.7144.9169.356.5-92.5000109F602 F636 F638 L662 F679 S682 A683 G684 I686F602-F611 HydrophobicContact CD1-CB 3.8Å; F602-F611 HydrophobicContact CE1-CB 3.81Å; F611-F636 HydrophobicContact CD1-CE1 4.44Å; F611-F638 HydrophobicContact CB-CE1 4.41Å; F611-F638 HydrophobicContact CD2-CE1 4.4Å; F611-L662 HydrophobicContact CZ-CD2 3.97Å; F611-F679 AromaticContact CE2-CE2 3.9Å; F611-F679 HydrophobicContact CE2-CE2 3.9Å; F611-F679 HydrophobicContact CE2-CZ 4.04Å; F611-F679 HydrophobicContact CZ-CE2 4.03Å; F611-F679 AromaticContact CZ-CZ 3.79Å; F611-F679 HydrophobicContact CZ-CZ 3.79Å; F611-S682 WeakPolarHBondContact CE2-O 3.3Å; F611-A683 CarbonylContact O-C 3.34Å; F611-A683 VanDerWaalsContact O-CA 3.28Å; F611-A683 WeakPolarHBondContact O-CA 3.5Å; F611-G684 PolarHBondContact N-O 3.48Å; F611-G684 PolarHBondContact O-N 3.16Å; F611-I686 HydrophobicContact CD1-CD1 4.39Å; F611-I686 HydrophobicContact CD1-CG1 4.24Å; F611-I686 HydrophobicContact CE1-CD1 3.81Å; F611-I686 HydrophobicContact CE1-CG1 4.11Å
612D96.8Very high94.4Very high65 Ų6537.6 Ų37.635%0.34822%0.217SC..  trans-151.876.2179.3-177.312.4000110K549 T600 A683K549-D612 VanDerWaalsContact CE-OD2 3.25Å; K549-D612 WeakPolarHBondContact CE-OD2 3.22Å; K549-D612 PolarHBondContact NZ-O 3.27Å; K549-D612 IonicContact NZ-OD1 2.93Å; K549-D612 PolarHBondContact NZ-OD1 3.39Å; K549-D612 IonicContact NZ-OD2 2.69Å; K549-D612 PolarHBondContact NZ-OD2 3.26Å; T600-D612 CarbonylContact O-C 3.59Å; T600-D612 PolarHBondContact O-N 2.87Å; D612-A683 HydrophobicContact CB-CB 3.95Å
613P96.5Very high94.4Very high2 Ų238.7 Ų38.71%0.01322%0.224CC..  trans-72142-161.628.5-37.3000114.1C599 F638 V643 R681C599-P613 CarbonylContact O-C 3.51Å; C599-P613 VanDerWaalsContact O-CA 3.24Å; C599-P613 WeakPolarHBondContact O-CA 3.4Å; P613-F638 HydrophobicContact CB-CB 4.29Å; P613-F638 HydrophobicContact CB-CD1 3.48Å; P613-F638 VanDerWaalsContact CB-CD1 3.48Å; P613-F638 HydrophobicContact CB-CE1 4.07Å; P613-F638 HydrophobicContact CB-CG 4.12Å; P613-F638 HydrophobicContact CG-CD1 3.8Å; P613-F638 HydrophobicContact CG-CE1 4.25Å; P613-V643 HydrophobicContact CG-CG2 3.94Å; P613-R681 HydrophobicContact CG-CG 3.82Å; P613-R681 PolarHBondContact O-NH1 3.33Å
614V94.9Very high94.3Very high11 Ų1136.4 Ų36.47%0.06722%0.215CC..  trans-116.7136.2171.6151.90000110.2M546 K549 A551 C599 L616M546-V614 HydrophobicContact CB-CG1 4.42Å; M546-V614 HydrophobicContact CG-CG1 4.04Å; M546-V614 WeakPolarHBondContact O-CG2 3.23Å; K549-V614 HydrophobicContact CD-CG2 3.43Å; K549-V614 VanDerWaalsContact CD-CG2 3.43Å; A551-V614 HydrophobicContact CB-CG1 4.25Å; C599-V614 PolarHBondContact O-N 3.48Å; V614-L616 HydrophobicContact CG1-CD2 3.89Å; V614-L616 HydrophobicContact CG1-CG 4.42Å
615C89.8Confident94.3Very high39 Ų3937.2 Ų37.226%0.26422%0.222SC..  trans-95.4113.9170.4-62.10000109E640C615-E640 VanDerWaalsContact SG-CA 3.59Å
616L92.6Very high94.4Very high5 Ų534.7 Ų34.73%0.02621%0.207CC..  trans-78.9148.8173.4-62.7-179.7000110.4M546 A551 A554 L558 V614 G618 I619M546-L616 HydrophobicContact CG-CD2 3.97Å; M546-L616 HydrophobicContact SD-CD1 4.01Å; M546-L616 HydrophobicContact SD-CD2 3.98Å; M546-L616 HydrophobicContact SD-CG 4.2Å; A551-L616 HydrophobicContact CB-CD2 4.15Å; A554-L616 HydrophobicContact CB-CD2 3.82Å; L558-L616 HydrophobicContact CD2-CD1 3.89Å; V614-L616 HydrophobicContact CG1-CD2 3.89Å; V614-L616 HydrophobicContact CG1-CG 4.42Å; L616-G618 PolarHBondContact O-N 3.26Å; L616-I619 HydrophobicContact CB-CB 4.5Å; L616-I619 HydrophobicContact CB-CD1 4.04Å; L616-I619 HydrophobicContact CB-CG1 4.35Å; L616-I619 HydrophobicContact CD1-CD1 4.16Å; L616-I619 PolarHBondContact O-N 2.64Å
617S87.4Confident94.5Very high86 Ų8628.2 Ų28.260%0.60118%0.183SC*.THydrogen-bonded Turntrans-54.4135.1173.3-1730000110.9I619S617-I619 PolarHBondContact O-N 2.97Å
618G87.5Confident94.7Very high52 Ų5227.2 Ų27.254%0.53617%0.169SC..THydrogen-bonded Turntrans77.3-3.2-176.300000115.4G248 P249 L616G248-G618 VanDerWaalsContact CA-O 3.28Å; G248-G618 WeakPolarHBondContact CA-O 3.32Å; P249-G618 WeakPolarHBondContact CD-O 3.36Å; L616-G618 PolarHBondContact O-N 3.26Å
619I92.1Very high94.7Very high8 Ų827.3 Ų27.34%0.04117%0.17CC..  trans-114.9105.6173.6-53.6-179.2000109V246 V247 L252 L616 S617 R621 V622V246-I619 HydrophobicContact CB-CG2 4.13Å; V246-I619 HydrophobicContact CG1-CG2 4.38Å; V247-I619 WeakPolarHBondContact O-CA 3.31Å; L252-I619 HydrophobicContact CD2-CD1 3.43Å; L252-I619 VanDerWaalsContact CD2-CD1 3.43Å; L252-I619 HydrophobicContact CD2-CG1 3.82Å; L616-I619 HydrophobicContact CB-CB 4.5Å; L616-I619 HydrophobicContact CB-CD1 4.04Å; L616-I619 HydrophobicContact CB-CG1 4.35Å; L616-I619 HydrophobicContact CD1-CD1 4.16Å; L616-I619 PolarHBondContact O-N 2.64Å; S617-I619 PolarHBondContact O-N 2.97Å; I619-R621 WeakPolarHBondContact CG2-O 3.33Å; I619-V622 HydrophobicContact CG2-CG2 3.79Å
620S91.7Very high94.5Very high65 Ų6527.9 Ų27.946%0.45517%0.173SC..SBendtrans-86.9-18.7179.760.60000113.4V247V247-S620 WeakPolarHBondContact CB-OG 3.47Å; V247-S620 WeakPolarHBondContact CG1-OG 3.43Å; V247-S620 PolarHBondContact O-N 2.9Å
621R96Very high94.4Very high111 Ų11126.6 Ų26.642%0.41917%0.165SC..EExtended strand (participates in β ladder)trans-153.1140177.8-174.5173.264.4-168.72111.8V246 V247 I619 S637 F638V246-R621 CarbonylContact C-O 3.5Å; V246-R621 VanDerWaalsContact CA-O 3.25Å; V246-R621 WeakPolarHBondContact CA-O 3.42Å; V247-R621 HydrophobicContact CB-CB 4.1Å; V247-R621 HydrophobicContact CG2-CB 3.89Å; V247-R621 PolarHBondContact N-O 3.24Å; I619-R621 WeakPolarHBondContact CG2-O 3.33Å; R621-S637 WeakPolarHBondContact CD-OG 3.49Å; R621-F638 CarbonylContact C-O 3.46Å; R621-F638 VanDerWaalsContact CA-O 3.23Å; R621-F638 WeakPolarHBondContact CA-O 3.35Å; R621-F638 WeakPolarHBondContact CG-O 3.22Å
622V97Very high94.3Very high7 Ų726.7 Ų26.74%0.04217%0.165CC..EExtended strand (participates in β ladder)trans-116.3125.7167-178.80000108.1L244 V246 V595 C599 T600 I619 V624 F638L244-V622 HydrophobicContact CD1-CG1 4.3Å; V246-V622 HydrophobicContact CG1-CG1 4.37Å; V246-V622 HydrophobicContact CG1-CG2 4.14Å; V595-V622 HydrophobicContact CG1-CG1 4.31Å; C599-V622 HydrophobicContact CB-CG2 4.06Å; T600-V622 HydrophobicContact CG2-CG1 4.44Å; I619-V622 HydrophobicContact CG2-CG2 3.79Å; V622-V624 HydrophobicContact CG1-CG2 4.05Å; V622-F638 PolarHBondContact N-O 3.43Å; V622-F638 PolarHBondContact O-N 2.77Å
623S96.8Very high94.2Very high23 Ų2325.8 Ų25.816%0.16116%0.158CC..EExtended strand (participates in β ladder)trans-117.4124.9176.7-52.80000109.2D245 F636D245-S623 PolarHBondContact N-O 2.98Å; D245-S623 PolarHBondContact O-N 3.33Å; S623-F636 CarbonylContact C-O 3.03Å; S623-F636 WeakPolarHBondContact CA-O 3.49Å
624V97Very high94.3Very high0 Ų025.8 Ų25.80%016%0.158CC..EExtended strand (participates in β ladder)trans-123.7118177.6-161.30000107.9G243 L244 F313 T600 V622 I627 N635 F636G243-V624 CarbonylContact O-C 3.59Å; G243-V624 WeakPolarHBondContact O-CA 3.37Å; L244-V624 HydrophobicContact CD1-CG2 3.85Å; F313-V624 HydrophobicContact CE1-CG1 3.69Å; F313-V624 HydrophobicContact CZ-CG1 3.73Å; T600-V624 HydrophobicContact CG2-CG2 3.93Å; V622-V624 HydrophobicContact CG1-CG2 4.05Å; V624-I627 HydrophobicContact CB-CD1 4.49Å; V624-I627 HydrophobicContact CB-CG1 4.35Å; V624-I627 HydrophobicContact CG1-CD1 3.5Å; V624-I627 VanDerWaalsContact CG1-CD1 3.5Å; V624-I627 HydrophobicContact CG1-CG1 3.83Å; V624-N635 WeakPolarHBondContact O-CA 3.47Å; V624-F636 PolarHBondContact N-O 2.84Å; V624-F636 PolarHBondContact O-N 2.86Å
625S95.6Very high94.4Very high37 Ų3727.4 Ų27.426%0.25917%0.166SC..EExtended strand (participates in β ladder)trans-112.5141.9-175.3-570000110.3C242 G243 F313 N635C242-S625 WeakPolarHBondContact CA-O 3.15Å; G243-S625 PolarHBondContact N-O 3.35Å; G243-S625 PolarHBondContact O-N 2.88Å; F313-S625 WeakPolarHBondContact CE1-O 3.27Å; S625-N635 VanDerWaalsContact CA-OD1 3.28Å; S625-N635 WeakPolarHBondContact CA-OD1 3.44Å
626G95.1Very high94.8Very high1 Ų125.8 Ų25.81%0.0116%0.155CC..EExtended strand (participates in β ladder)trans83.219.2175.500000115.7E241 F628 L634 N635E241-G626 WeakPolarHBondContact O-CA 3.47Å; G626-F628 PolarHBondContact O-N 3.11Å; G626-L634 PolarHBondContact N-O 2.78Å; G626-N635 PolarHBondContact N-OD1 2.83Å
627I96.5Very high95Very high2 Ų227 Ų271%0.0116%0.164CC..EExtended strand (participates in β ladder)trans-61.3119.4176.1-65.1-56.4000109.8M312 F313 F602 V624 K633 L634 F636M312-I627 HydrophobicContact CB-CD1 4.03Å; M312-I627 HydrophobicContact CE-CD1 4.18Å; M312-I627 HydrophobicContact CE-CG2 3.46Å; M312-I627 VanDerWaalsContact CE-CG2 3.46Å; M312-I627 CarbonylContact O-C 3.57Å; M312-I627 VanDerWaalsContact O-CA 3.31Å; M312-I627 WeakPolarHBondContact O-CA 3.2Å; F313-I627 HydrophobicContact CD1-CD1 4.24Å; F313-I627 HydrophobicContact CE1-CD1 3.77Å; F313-I627 HydrophobicContact CZ-CD1 4.24Å; F602-I627 HydrophobicContact CE2-CD1 4.29Å; F602-I627 HydrophobicContact CE2-CG1 4.13Å; V624-I627 HydrophobicContact CB-CD1 4.49Å; V624-I627 HydrophobicContact CB-CG1 4.35Å; V624-I627 HydrophobicContact CG1-CD1 3.5Å; V624-I627 VanDerWaalsContact CG1-CD1 3.5Å; V624-I627 HydrophobicContact CG1-CG1 3.83Å; I627-K633 CarbonylContact O-C 3.58Å; I627-K633 WeakPolarHBondContact O-CA 3.49Å; I627-L634 HydrophobicContact CB-CB 4.41Å; I627-L634 PolarHBondContact N-O 3.46Å; I627-L634 WeakPolarHBondContact O-CD1 2.94Å; I627-L634 PolarHBondContact O-N 3.19Å; I627-F636 HydrophobicContact CB-CD2 4.39Å; I627-F636 HydrophobicContact CB-CE2 4.23Å; I627-F636 HydrophobicContact CG1-CD2 4.18Å; I627-F636 HydrophobicContact CG1-CE2 4.43Å; I627-F636 HydrophobicContact CG2-CE2 4.3Å
628F95.9Very high95.4Very high24 Ų2423.2 Ų23.211%0.10514%0.136CC..EExtended strand (participates in β ladder)trans-87.9133.3178-179-89.6000111.3M312 P315 T384 T385 G626 G631 N632M312-F628 PolarHBondContact O-N 3.3Å; P315-F628 HydrophobicContact CB-CD1 3.85Å; P315-F628 HydrophobicContact CB-CE1 3.93Å; P315-F628 HydrophobicContact CB-CG 4.26Å; P315-F628 HydrophobicContact CB-CZ 4.37Å; P315-F628 HydrophobicContact CG-CB 4.22Å; P315-F628 HydrophobicContact CG-CD1 3.68Å; P315-F628 HydrophobicContact CG-CD2 3.72Å; P315-F628 HydrophobicContact CG-CE1 3.87Å; P315-F628 HydrophobicContact CG-CE2 3.87Å; P315-F628 HydrophobicContact CG-CG 3.59Å; P315-F628 HydrophobicContact CG-CZ 3.94Å; T384-F628 HydrophobicContact CG2-CD1 3.8Å; T384-F628 HydrophobicContact CG2-CE1 4.31Å; T385-F628 HydrophobicContact CG2-CE1 3.84Å; G626-F628 PolarHBondContact O-N 3.11Å; F628-G631 VanDerWaalsContact CE2-CA 3.49Å; F628-N632 CarbonylContact C-O 3.57Å; F628-N632 WeakPolarHBondContact CA-O 3.39Å
629Y96.7Very high95.8Very high3 Ų321.9 Ų21.91%0.01212%0.119CC..EExtended strand (participates in β ladder)trans-151120168.5179.5-112000111.1G608 V609 G631 N632 L658 I686G608-Y629 WeakPolarHBondContact CA-OH 3.47Å; V609-Y629 HydrophobicContact CG2-CD1 4.49Å; V609-Y629 HydrophobicContact CG2-CD2 3.35Å; V609-Y629 HydrophobicContact CG2-CE2 3.71Å; V609-Y629 HydrophobicContact CG2-CG 3.79Å; Y629-G631 VanDerWaalsContact C-N 3.3Å; Y629-G631 PolarHBondContact O-N 2.93Å; Y629-N632 PolarHBondContact N-O 2.92Å; Y629-N632 WeakPolarHBondContact O-CB 3.32Å; Y629-N632 PolarHBondContact O-N 2.7Å; Y629-N632 PolarHBondContact O-ND2 3.06Å; Y629-L658 HydrophobicContact CD1-CD1 4.21Å; Y629-L658 HydrophobicContact CD1-CD2 3.96Å; Y629-L658 HydrophobicContact CE1-CD2 3.97Å; Y629-I686 HydrophobicContact CD1-CG2 4.27Å
630Q94.2Very high95.8Very high15 Ų1527.8 Ų27.87%0.0715%0.147CC..THydrogen-bonded Turntrans43.750178.9-61.6-165.416.700113.7T384 Q386 N632 P656 M688T384-Q630 WeakPolarHBondContact O-CA 3.36Å; T384-Q630 PolarHBondContact O-N 3.21Å; Q386-Q630 HydrophobicContact CG-CG 4.29Å; Q630-N632 VanDerWaalsContact C-N 3.31Å; Q630-N632 PolarHBondContact O-N 2.88Å; Q630-N632 PolarHBondContact O-ND2 3.15Å; Q630-P656 HydrophobicContact CB-CG 4.05Å; Q630-P656 WeakPolarHBondContact O-CD 3.19Å; Q630-M688 PolarHBondContact OE1-SD 2.73Å
631G94.2Very high95.9Very high2 Ų231 Ų312%0.02116%0.159CC..THydrogen-bonded Turntrans80.44.5178.500000115.1F628 Y629 R650 A651F628-G631 VanDerWaalsContact CE2-CA 3.49Å; Y629-G631 VanDerWaalsContact C-N 3.3Å; Y629-G631 PolarHBondContact O-N 2.93Å; G631-R650 CarbonylContact O-C 3.52Å; G631-A651 WeakPolarHBondContact O-CB 3.45Å; G631-A651 PolarHBondContact O-N 3.29Å
632N95.8Very high95.9Very high2 Ų227.4 Ų27.41%0.01115%0.151CC..EExtended strand (participates in β ladder)trans-105.3143.1172.3-61.7-91.7000110F628 Y629 Q630 L634 V647 A649 R650 P656 L658F628-N632 CarbonylContact C-O 3.57Å; F628-N632 WeakPolarHBondContact CA-O 3.39Å; Y629-N632 PolarHBondContact N-O 2.92Å; Y629-N632 WeakPolarHBondContact O-CB 3.32Å; Y629-N632 PolarHBondContact O-N 2.7Å; Y629-N632 PolarHBondContact O-ND2 3.06Å; Q630-N632 VanDerWaalsContact C-N 3.31Å; Q630-N632 PolarHBondContact O-N 2.88Å; Q630-N632 PolarHBondContact O-ND2 3.15Å; N632-L634 HydrophobicContact CB-CD1 4.13Å; N632-V647 HydrophobicContact CB-CG1 4.32Å; N632-A649 WeakPolarHBondContact CA-O 3.5Å; N632-R650 VanDerWaalsContact OD1-CG 3.29Å; N632-R650 WeakPolarHBondContact OD1-CG 3.44Å; N632-P656 PolarHBondContact ND2-O 2.84Å; N632-P656 VanDerWaalsContact ND2-O 3.15Å; N632-L658 HydrophobicContact CB-CD1 3.66Å
633K95.8Very high95.9Very high46 Ų4627.1 Ų27.120%0.215%0.149CC..EExtended strand (participates in β ladder)trans-101.6132.6164.2-70.3-166.4173.4-167.60109.4E241 I627 V647 T648 A649E241-K633 IonicContact OE2-NZ 2.83Å; E241-K633 PolarHBondContact OE2-NZ 2.82Å; I627-K633 CarbonylContact O-C 3.58Å; I627-K633 WeakPolarHBondContact O-CA 3.49Å; K633-V647 CarbonylContact O-C 3.55Å; K633-V647 WeakPolarHBondContact O-CA 3.38Å; K633-T648 PolarHBondContact O-N 2.81Å; K633-T648 PolarHBondContact O-OG1 3.36Å; K633-A649 HydrophobicContact CB-CB 4.19Å; K633-A649 PolarHBondContact N-O 3.4Å
634L97.3Very high96Very high2 Ų227.3 Ų27.31%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-123.9140.9-177-60.8100.2000111.3G626 I627 N632 F636 V645 E646 V647 L658 L671 I686G626-L634 PolarHBondContact N-O 2.78Å; I627-L634 HydrophobicContact CB-CB 4.41Å; I627-L634 PolarHBondContact N-O 3.46Å; I627-L634 WeakPolarHBondContact O-CD1 2.94Å; I627-L634 PolarHBondContact O-N 3.19Å; N632-L634 HydrophobicContact CB-CD1 4.13Å; L634-F636 HydrophobicContact CB-CD2 4.21Å; L634-F636 HydrophobicContact CB-CE2 3.58Å; L634-F636 HydrophobicContact CB-CZ 4.36Å; L634-F636 HydrophobicContact CD2-CE2 4.24Å; L634-F636 HydrophobicContact CD2-CZ 4.2Å; L634-F636 HydrophobicContact CG-CE2 4.46Å; L634-V645 HydrophobicContact CD2-CG1 4.01Å; L634-E646 CarbonylContact C-O 3.59Å; L634-E646 WeakPolarHBondContact CA-O 3.46Å; L634-V647 HydrophobicContact CD2-CG2 3.96Å; L634-V647 HydrophobicContact CG-CG2 4.17Å; L634-L658 HydrophobicContact CD1-CD1 4.07Å; L634-L658 HydrophobicContact CD2-CD1 4.06Å; L634-L658 HydrophobicContact CG-CD1 4.45Å; L634-L671 HydrophobicContact CD2-CD1 4.33Å; L634-I686 HydrophobicContact CD2-CG2 4.18Å
635N97.3Very high96Very high45 Ų4527.3 Ų27.324%0.24115%0.149CC..EExtended strand (participates in β ladder)trans-107.9137.2166.6-70.43.6000109.4V624 S625 G626 V645 E646 T648V624-N635 WeakPolarHBondContact O-CA 3.47Å; S625-N635 VanDerWaalsContact CA-OD1 3.28Å; S625-N635 WeakPolarHBondContact CA-OD1 3.44Å; G626-N635 PolarHBondContact N-OD1 2.83Å; N635-V645 WeakPolarHBondContact O-CA 3.18Å; N635-E646 HydrophobicContact CB-CB 4.45Å; N635-E646 PolarHBondContact N-O 2.82Å; N635-E646 PolarHBondContact O-N 2.87Å; N635-T648 HydrophobicContact CB-CG2 4.14Å; N635-T648 WeakPolarHBondContact ND2-CG2 3.18Å
636F97.6Very high96.1Very high6 Ų627.4 Ų27.43%0.02615%0.146CC..EExtended strand (participates in β ladder)trans-122.1140.5175.5-68.9-100.5000110.5F602 F611 S623 V624 I627 L634 F638 T644 V645 I686F602-F636 HydrophobicContact CE1-CD1 4.2Å; F602-F636 HydrophobicContact CE1-CD2 4.43Å; F602-F636 AromaticContact CE1-CE1 3.96Å; F602-F636 HydrophobicContact CE1-CE1 3.96Å; F602-F636 HydrophobicContact CE1-CE2 4.19Å; F602-F636 HydrophobicContact CE1-CG 4.43Å; F602-F636 AromaticContact CE1-CZ 3.96Å; F602-F636 HydrophobicContact CE1-CZ 3.96Å; F602-F636 HydrophobicContact CZ-CB 4.37Å; F602-F636 AromaticContact CZ-CD1 3.95Å; F602-F636 HydrophobicContact CZ-CD1 3.95Å; F602-F636 AromaticContact CZ-CD2 3.65Å; F602-F636 HydrophobicContact CZ-CD2 3.65Å; F602-F636 HydrophobicContact CZ-CE1 4.07Å; F602-F636 AromaticContact CZ-CE2 3.77Å; F602-F636 HydrophobicContact CZ-CE2 3.77Å; F602-F636 AromaticContact CZ-CG 3.74Å; F602-F636 HydrophobicContact CZ-CG 3.74Å; F602-F636 AromaticContact CZ-CZ 3.99Å; F602-F636 HydrophobicContact CZ-CZ 3.99Å; F611-F636 HydrophobicContact CD1-CE1 4.44Å; S623-F636 CarbonylContact C-O 3.03Å; S623-F636 WeakPolarHBondContact CA-O 3.49Å; V624-F636 PolarHBondContact N-O 2.84Å; V624-F636 PolarHBondContact O-N 2.86Å; I627-F636 HydrophobicContact CB-CD2 4.39Å; I627-F636 HydrophobicContact CB-CE2 4.23Å; I627-F636 HydrophobicContact CG1-CD2 4.18Å; I627-F636 HydrophobicContact CG1-CE2 4.43Å; I627-F636 HydrophobicContact CG2-CE2 4.3Å; L634-F636 HydrophobicContact CB-CD2 4.21Å; L634-F636 HydrophobicContact CB-CE2 3.58Å; L634-F636 HydrophobicContact CB-CZ 4.36Å; L634-F636 HydrophobicContact CD2-CE2 4.24Å; L634-F636 HydrophobicContact CD2-CZ 4.2Å; L634-F636 HydrophobicContact CG-CE2 4.46Å; F636-F638 HydrophobicContact CB-CD2 4.15Å; F636-F638 HydrophobicContact CB-CE2 3.39Å; F636-F638 HydrophobicContact CB-CZ 3.73Å; F636-F638 HydrophobicContact CD1-CE1 4.22Å; F636-F638 HydrophobicContact CD1-CE2 4.16Å; F636-F638 AromaticContact CD1-CZ 3.56Å; F636-F638 HydrophobicContact CD1-CZ 3.56Å; F636-F638 HydrophobicContact CE1-CZ 4.45Å; F636-F638 HydrophobicContact CG-CE2 4.04Å; F636-F638 AromaticContact CG-CZ 3.9Å; F636-F638 HydrophobicContact CG-CZ 3.9Å; F636-T644 CarbonylContact C-O 3.52Å; F636-T644 WeakPolarHBondContact CA-O 3.47Å; F636-V645 HydrophobicContact CD1-CB 4.42Å; F636-V645 HydrophobicContact CD1-CG1 4.21Å; F636-V645 HydrophobicContact CD1-CG2 3.64Å; F636-V645 HydrophobicContact CE1-CB 4.29Å; F636-V645 HydrophobicContact CE1-CG1 3.77Å; F636-V645 HydrophobicContact CE1-CG2 3.55Å; F636-V645 HydrophobicContact CE2-CG1 4.43Å; F636-V645 HydrophobicContact CZ-CG1 3.89Å; F636-V645 HydrophobicContact CZ-CG2 4.49Å; F636-I686 HydrophobicContact CE1-CD1 4.21Å; F636-I686 HydrophobicContact CE1-CG1 4.28Å; F636-I686 HydrophobicContact CZ-CD1 4.12Å; F636-I686 HydrophobicContact CZ-CG1 3.87Å
637S97.4Very high96.2Very high30 Ų3027.4 Ų27.421%0.2115%0.145CC..EExtended strand (participates in β ladder)trans-129.5117.3166.41670000108.5R621 V643 T644R621-S637 WeakPolarHBondContact CD-OG 3.49Å; S637-V643 CarbonylContact O-C 3.48Å; S637-V643 WeakPolarHBondContact O-CA 3.17Å; S637-T644 PolarHBondContact N-O 2.86Å; S637-T644 PolarHBondContact O-N 3.35Å
638F96.9Very high96.1Very high6 Ų630.1 Ų30.13%0.02616%0.162CC..EExtended strand (participates in β ladder)trans-106115.8177.1-55-86.2000108.7T600 F602 F611 P613 R621 V622 F636 V643T600-F638 HydrophobicContact CG2-CD2 3.82Å; T600-F638 HydrophobicContact CG2-CE2 3.41Å; T600-F638 VanDerWaalsContact CG2-CE2 3.41Å; T600-F638 HydrophobicContact CG2-CZ 4.09Å; F602-F638 HydrophobicContact CE1-CZ 4Å; F602-F638 HydrophobicContact CZ-CE2 4.06Å; F602-F638 AromaticContact CZ-CZ 3.76Å; F602-F638 HydrophobicContact CZ-CZ 3.76Å; F611-F638 HydrophobicContact CB-CE1 4.41Å; F611-F638 HydrophobicContact CD2-CE1 4.4Å; P613-F638 HydrophobicContact CB-CB 4.29Å; P613-F638 HydrophobicContact CB-CD1 3.48Å; P613-F638 VanDerWaalsContact CB-CD1 3.48Å; P613-F638 HydrophobicContact CB-CE1 4.07Å; P613-F638 HydrophobicContact CB-CG 4.12Å; P613-F638 HydrophobicContact CG-CD1 3.8Å; P613-F638 HydrophobicContact CG-CE1 4.25Å; R621-F638 CarbonylContact C-O 3.46Å; R621-F638 VanDerWaalsContact CA-O 3.23Å; R621-F638 WeakPolarHBondContact CA-O 3.35Å; R621-F638 WeakPolarHBondContact CG-O 3.22Å; V622-F638 PolarHBondContact N-O 3.43Å; V622-F638 PolarHBondContact O-N 2.77Å; F636-F638 HydrophobicContact CB-CD2 4.15Å; F636-F638 HydrophobicContact CB-CE2 3.39Å; F636-F638 HydrophobicContact CB-CZ 3.73Å; F636-F638 HydrophobicContact CD1-CE1 4.22Å; F636-F638 HydrophobicContact CD1-CE2 4.16Å; F636-F638 AromaticContact CD1-CZ 3.56Å; F636-F638 HydrophobicContact CD1-CZ 3.56Å; F636-F638 HydrophobicContact CE1-CZ 4.45Å; F636-F638 HydrophobicContact CG-CE2 4.04Å; F636-F638 AromaticContact CG-CZ 3.9Å; F636-F638 HydrophobicContact CG-CZ 3.9Å; F638-V643 HydrophobicContact CD1-CB 4.32Å; F638-V643 HydrophobicContact CD1-CG1 3.75Å; F638-V643 HydrophobicContact CD1-CG2 3.72Å; F638-V643 HydrophobicContact CE1-CG1 3.67Å; F638-V643 HydrophobicContact CE1-CG2 4.21Å
639S95.2Very high96Very high25 Ų2531 Ų3118%0.17517%0.174CC..EExtended strand (participates in β ladder)trans-116174.4170.467.70000110.3D641 S642 R681S639-D641 PolarHBondContact O-N 2.75Å; S639-S642 PolarHBondContact N-O 2.92Å; S639-S642 PolarHBondContact OG-N 2.78Å; S639-S642 PolarHBondContact OG-O 3.04Å; S639-S642 PolarHBondContact OG-OG 2.63Å; S639-R681 WeakPolarHBondContact O-CD 3.33Å
640E91.8Very high95.8Very high132 Ų13234.8 Ų34.862%0.61719%0.188SC*.SBendtrans-53.8-41.5177.8-167.8169.3-17800113C615 R681C615-E640 VanDerWaalsContact SG-CA 3.59Å; E640-R681 WeakPolarHBondContact O-CD 3.39Å; E640-R681 PolarHBondContact O-NE 2.91Å
641D94.1Very high95.5Very high132 Ų13237.1 Ų37.171%0.70621%0.21SC*.SBendtrans-97.2-23.4-174-57.5-49.2000114.4S639 P680 R681S639-D641 PolarHBondContact O-N 2.75Å; D641-P680 WeakPolarHBondContact O-CA 3.42Å; D641-R681 PolarHBondContact O-N 2.82Å
642S96.4Very high95.1Very high36 Ų3637.9 Ų37.925%0.25222%0.218SC..EExtended strand (participates in β ladder)trans-148.2153.4-166.272.70000114.3S639 F679S639-S642 PolarHBondContact N-O 2.92Å; S639-S642 PolarHBondContact OG-N 2.78Å; S639-S642 PolarHBondContact OG-O 3.04Å; S639-S642 PolarHBondContact OG-OG 2.63Å; S642-F679 VanDerWaalsContact CA-O 3.29Å; S642-F679 WeakPolarHBondContact CA-O 3.2Å
643V97.5Very high94.6Very high0 Ų044 Ų440%026%0.258CS..EExtended strand (participates in β ladder)trans-112.8135.4162.6-176.60000108.1P613 S637 F638 V645 S678 F679 R681P613-V643 HydrophobicContact CG-CG2 3.94Å; S637-V643 CarbonylContact O-C 3.48Å; S637-V643 WeakPolarHBondContact O-CA 3.17Å; F638-V643 HydrophobicContact CD1-CB 4.32Å; F638-V643 HydrophobicContact CD1-CG1 3.75Å; F638-V643 HydrophobicContact CD1-CG2 3.72Å; F638-V643 HydrophobicContact CE1-CG1 3.67Å; F638-V643 HydrophobicContact CE1-CG2 4.21Å; V643-V645 HydrophobicContact CG1-CG2 4.05Å; V643-S678 WeakPolarHBondContact O-CA 3.24Å; V643-F679 HydrophobicContact CB-CD2 4.1Å; V643-F679 HydrophobicContact CB-CE2 3.52Å; V643-F679 HydrophobicContact CB-CZ 3.77Å; V643-F679 HydrophobicContact CG1-CE2 3.98Å; V643-F679 HydrophobicContact CG1-CZ 3.73Å; V643-F679 HydrophobicContact CG2-CE2 4.13Å; V643-F679 PolarHBondContact N-O 2.88Å; V643-F679 PolarHBondContact O-N 3.45Å; V643-R681 HydrophobicContact CG2-CG 4.41Å
644T97.6Very high94.2Very high27 Ų2750 Ų5017%0.16628%0.279CS..EExtended strand (participates in β ladder)trans-119.5131.2171.1-60.30000109.5F636 S637 K676 V677 S678F636-T644 CarbonylContact C-O 3.52Å; F636-T644 WeakPolarHBondContact CA-O 3.47Å; S637-T644 PolarHBondContact N-O 2.86Å; S637-T644 PolarHBondContact O-N 3.35Å; T644-K676 HydrophobicContact CG2-CB 4.12Å; T644-K676 HydrophobicContact CG2-CG 4.5Å; T644-V677 CarbonylContact C-O 3.59Å; T644-V677 WeakPolarHBondContact CA-O 3.33Å; T644-S678 WeakPolarHBondContact CG2-OG 3.42Å; T644-S678 PolarHBondContact OG1-OG 2.85Å
645V97.8Very high93.9Very high1 Ų150 Ų501%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-123.4139.4178.6-169.90000109.6L634 N635 F636 V643 L671 V677 F679 I686L634-V645 HydrophobicContact CD2-CG1 4.01Å; N635-V645 WeakPolarHBondContact O-CA 3.18Å; F636-V645 HydrophobicContact CD1-CB 4.42Å; F636-V645 HydrophobicContact CD1-CG1 4.21Å; F636-V645 HydrophobicContact CD1-CG2 3.64Å; F636-V645 HydrophobicContact CE1-CB 4.29Å; F636-V645 HydrophobicContact CE1-CG1 3.77Å; F636-V645 HydrophobicContact CE1-CG2 3.55Å; F636-V645 HydrophobicContact CE2-CG1 4.43Å; F636-V645 HydrophobicContact CZ-CG1 3.89Å; F636-V645 HydrophobicContact CZ-CG2 4.49Å; V643-V645 HydrophobicContact CG1-CG2 4.05Å; V645-L671 HydrophobicContact CB-CD2 4.34Å; V645-L671 HydrophobicContact CG1-CD1 4.1Å; V645-L671 HydrophobicContact CG1-CD2 4.33Å; V645-V677 PolarHBondContact N-O 3.28Å; V645-V677 PolarHBondContact O-N 2.91Å; V645-F679 HydrophobicContact CG2-CE1 3.9Å; V645-F679 HydrophobicContact CG2-CZ 3.96Å; V645-I686 HydrophobicContact CG1-CD1 4.36Å
646E97.1Very high93.7Very high39 Ų3949.4 Ų49.418%0.18228%0.278CS..EExtended strand (participates in β ladder)trans-138.9129.1175.9-176179.2-172.300109.9L634 N635 T648 K676L634-E646 CarbonylContact C-O 3.59Å; L634-E646 WeakPolarHBondContact CA-O 3.46Å; N635-E646 HydrophobicContact CB-CB 4.45Å; N635-E646 PolarHBondContact N-O 2.82Å; N635-E646 PolarHBondContact O-N 2.87Å; E646-T648 HydrophobicContact CB-CG2 4.43Å; E646-T648 HydrophobicContact CG-CG2 3.93Å; E646-T648 PolarHBondContact O-N 2.69Å; E646-K676 HydrophobicContact CB-CG 4.06Å; E646-K676 HydrophobicContact CG-CG 4.08Å; E646-K676 WeakPolarHBondContact OE2-CE 3.44Å; E646-K676 IonicContact OE2-NZ 3.64Å
647V96.8Very high93.5Very high1 Ų153.8 Ų53.81%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-85.4107.1166.3176.20000107.7N632 K633 L634 R650 L658 L671 P673 G674N632-V647 HydrophobicContact CB-CG1 4.32Å; K633-V647 CarbonylContact O-C 3.55Å; K633-V647 WeakPolarHBondContact O-CA 3.38Å; L634-V647 HydrophobicContact CD2-CG2 3.96Å; L634-V647 HydrophobicContact CG-CG2 4.17Å; V647-R650 HydrophobicContact CG1-CG 4.4Å; V647-L658 HydrophobicContact CG2-CD1 4.42Å; V647-L671 HydrophobicContact CG2-CB 3.82Å; V647-P673 HydrophobicContact CG1-CB 4.41Å; V647-P673 HydrophobicContact CG1-CG 4.28Å; V647-P673 CarbonylContact O-C 3.57Å; V647-P673 WeakPolarHBondContact O-CA 3.24Å; V647-G674 PolarHBondContact O-N 2.82Å
648T95.1Very high93.4Very high58 Ų5852.4 Ų52.436%0.35629%0.289SS..EExtended strand (participates in β ladder)trans-88.3-30.7-173.253.20000113K633 N635 E646K633-T648 PolarHBondContact O-N 2.81Å; K633-T648 PolarHBondContact O-OG1 3.36Å; N635-T648 HydrophobicContact CB-CG2 4.14Å; N635-T648 WeakPolarHBondContact ND2-CG2 3.18Å; E646-T648 HydrophobicContact CB-CG2 4.43Å; E646-T648 HydrophobicContact CG-CG2 3.93Å; E646-T648 PolarHBondContact O-N 2.69Å
649A93Very high93.4Very high44 Ų4453 Ų5336%0.36429%0.292SS..EExtended strand (participates in β ladder)trans-149.515617900000112.4N632 K633N632-A649 WeakPolarHBondContact CA-O 3.5Å; K633-A649 HydrophobicContact CB-CB 4.19Å; K633-A649 PolarHBondContact N-O 3.4Å
650R93.1Very high93.5Very high81 Ų8151.9 Ų51.931%0.30628%0.283SS..EExtended strand (participates in β ladder)trans-125.9132.9171-75179.963.6-162.1-1109.3G631 N632 V647 G652 P653 A655 P673G631-R650 CarbonylContact O-C 3.52Å; N632-R650 VanDerWaalsContact OD1-CG 3.29Å; N632-R650 WeakPolarHBondContact OD1-CG 3.44Å; V647-R650 HydrophobicContact CG1-CG 4.4Å; R650-G652 PolarHBondContact O-N 3.22Å; R650-P653 PolarHBondContact NH2-O 3.44Å; R650-A655 PolarHBondContact NH2-O 3.19Å; R650-P673 HydrophobicContact CG-CG 4.31Å
651A87.1Confident93.8Very high65 Ų6546.5 Ų46.554%0.53726%0.258SS..SBendtrans-66.4-24.6178.900000112.5G631 W654G631-A651 WeakPolarHBondContact O-CB 3.45Å; G631-A651 PolarHBondContact O-N 3.29Å; A651-W654 HydrophobicContact CB-CH2 3.81Å; A651-W654 HydrophobicContact CB-CZ2 3.42Å; A651-W654 VanDerWaalsContact CB-CZ2 3.42Å
652G86.7Confident93.9Very high17 Ų1740.6 Ų40.618%0.17523%0.226CC..  trans176.4-177.3172.400000113.2R650 W654 A655R650-G652 PolarHBondContact O-N 3.22Å; G652-W654 PolarHBondContact O-N 2.63Å; G652-A655 WeakPolarHBondContact O-CB 3.33Å; G652-A655 PolarHBondContact O-N 3.05Å; G652-A655 VanDerWaalsContact O-N 3.12Å
653P84.8Confident94Very high131 Ų13142.7 Ų42.785%0.85123%0.229SC*.THydrogen-bonded Turntrans-60.1-25.2177.1-2333.7000113.6R650 A655R650-P653 PolarHBondContact NH2-O 3.44Å; P653-A655 VanDerWaalsContact C-N 3.32Å
654W87.5Confident93.8Very high173 Ų17348.8 Ų48.866%0.65527%0.268SS*.THydrogen-bonded Turntrans-71.4-23.617858.3-100.9000113.3A651 G652A651-W654 HydrophobicContact CB-CH2 3.81Å; A651-W654 HydrophobicContact CB-CZ2 3.42Å; A651-W654 VanDerWaalsContact CB-CZ2 3.42Å; G652-W654 PolarHBondContact O-N 2.63Å
655A91.6Very high93.7Very high1 Ų151.2 Ų51.21%0.00829%0.287CS..SBendtrans-64.5127.6178.900000108.8R650 G652 P653R650-A655 PolarHBondContact NH2-O 3.19Å; G652-A655 WeakPolarHBondContact O-CB 3.33Å; G652-A655 PolarHBondContact O-N 3.05Å; G652-A655 VanDerWaalsContact O-N 3.12Å; P653-A655 VanDerWaalsContact C-N 3.32Å
656P92.3Very high93.4Very high33 Ų3358 Ų5821%0.21432%0.318CS..PPolyproline II helixtrans-63.7153.9-177.426.7-35.3000111.5Q630 N632 L658 M688Q630-P656 HydrophobicContact CB-CG 4.05Å; Q630-P656 WeakPolarHBondContact O-CD 3.19Å; N632-P656 PolarHBondContact ND2-O 2.84Å; N632-P656 VanDerWaalsContact ND2-O 3.15Å; P656-L658 HydrophobicContact CG-CD2 4.47Å; P656-M688 HydrophobicContact CB-CB 4.34Å; P656-M688 HydrophobicContact CB-CG 3.82Å; P656-M688 HydrophobicContact CB-SD 4Å; P656-M688 HydrophobicContact CG-CG 3.78Å; P656-M688 HydrophobicContact CG-SD 3.98Å
657H94Very high93.3Very high98 Ų9858.2 Ų58.245%0.45432%0.324SS..PPolyproline II helixtrans-67.9144163.4-74.3-81.2000109.5S689H657-S689 PolarHBondContact O-N 2.92Å; H657-S689 PolarHBondContact O-OG 2.87Å
658L96.4Very high93.2Very high1 Ų165 Ų651%0.00535%0.35CS..EExtended strand (participates in β ladder)trans-111.7149.4-177.6-58.9-178.6000111.4Y629 N632 L634 V647 P656 L671 I686 Q687 S689Y629-L658 HydrophobicContact CD1-CD1 4.21Å; Y629-L658 HydrophobicContact CD1-CD2 3.96Å; Y629-L658 HydrophobicContact CE1-CD2 3.97Å; N632-L658 HydrophobicContact CB-CD1 3.66Å; L634-L658 HydrophobicContact CD1-CD1 4.07Å; L634-L658 HydrophobicContact CD2-CD1 4.06Å; L634-L658 HydrophobicContact CG-CD1 4.45Å; V647-L658 HydrophobicContact CG2-CD1 4.42Å; P656-L658 HydrophobicContact CG-CD2 4.47Å; L658-L671 HydrophobicContact CB-CB 4.33Å; L658-L671 HydrophobicContact CB-CD1 4.2Å; L658-L671 WeakPolarHBondContact O-CB 3.46Å; L658-L671 PolarHBondContact O-N 2.88Å; L658-I686 HydrophobicContact CB-CG2 4.29Å; L658-I686 HydrophobicContact CD1-CG2 3.97Å; L658-Q687 WeakPolarHBondContact CA-O 3.47Å; L658-S689 VanDerWaalsContact C-OG 3.25Å; L658-S689 PolarHBondContact O-OG 2.78Å
659E96.6Very high93.3Very high19 Ų1964.7 Ų64.79%0.08935%0.346CS..EExtended strand (participates in β ladder)trans-128.7152.116765.4-179.9-15100110.6R668 L669 I686 Q687 P690E659-R668 WeakPolarHBondContact OE1-CD 3.39Å; E659-R668 IonicContact OE1-CZ 3.76Å; E659-R668 IonicContact OE1-NE 2.91Å; E659-R668 IonicContact OE1-NH1 3.78Å; E659-R668 PolarHBondContact OE1-NH1 2.68Å; E659-L669 CarbonylContact C-O 3.52Å; E659-L669 VanDerWaalsContact CA-O 3.24Å; E659-L669 WeakPolarHBondContact CA-O 3.05Å; E659-L669 WeakPolarHBondContact CB-O 3.42Å; E659-I686 WeakPolarHBondContact O-CA 3.07Å; E659-Q687 HydrophobicContact CG-CG 3.68Å; E659-Q687 PolarHBondContact N-O 2.99Å; E659-Q687 PolarHBondContact O-N 3Å; E659-Q687 PolarHBondContact OE1-NE2 3.47Å; E659-P690 WeakPolarHBondContact OE2-CD 3.09Å
660A97.2Very high93.4Very high0 Ų065.9 Ų65.90%035%0.351CS..EExtended strand (participates in β ladder)trans-99.3117.1166.900000109.2L662 R668 L669 L671 R685 I686A660-L662 HydrophobicContact CB-CD2 4.36Å; A660-R668 CarbonylContact O-C 3.59Å; A660-R668 WeakPolarHBondContact O-CA 3.48Å; A660-L669 HydrophobicContact CB-CB 4.48Å; A660-L669 PolarHBondContact N-O 2.84Å; A660-L669 PolarHBondContact O-N 3.05Å; A660-L671 HydrophobicContact CB-CD1 4.31Å; A660-L671 HydrophobicContact CB-CD2 4.28Å; A660-L671 HydrophobicContact CB-CG 4.46Å; A660-R685 CarbonylContact C-O 3.59Å; A660-R685 WeakPolarHBondContact CA-O 3.36Å; A660-I686 HydrophobicContact CB-CD1 3.97Å
661E97.1Very high93.5Very high20 Ų2062.2 Ų62.29%0.09334%0.338CS..EExtended strand (participates in β ladder)trans-91.6122.1168-175-172.7156.600108.7W663 R668 G684 R685 Q687E661-W663 PolarHBondContact OE1-NE1 2.79Å; E661-R668 HydrophobicContact CB-CG 4.49Å; E661-R668 HydrophobicContact CG-CG 4.36Å; E661-G684 CarbonylContact O-C 3.51Å; E661-G684 WeakPolarHBondContact O-CA 3.34Å; E661-R685 PolarHBondContact N-O 3.34Å; E661-R685 PolarHBondContact O-N 2.79Å; E661-R685 IonicContact OE1-NH2 3.78Å; E661-R685 IonicContact OE2-CZ 3.54Å; E661-R685 IonicContact OE2-NE 3.38Å; E661-R685 IonicContact OE2-NH2 2.74Å; E661-R685 PolarHBondContact OE2-NH2 3.49Å; E661-Q687 PolarHBondContact OE2-NE2 2.84Å; E661-Q687 PolarHBondContact OE2-OE1 2.99Å
662L97.2Very high93.7Very high7 Ų763.2 Ų63.24%0.03733%0.334CS..EExtended strand (participates in β ladder)trans-101.5147.5-177.6-51-175.9000111.7F611 A660 Q666 S667 L669 F679F611-L662 HydrophobicContact CZ-CD2 3.97Å; A660-L662 HydrophobicContact CB-CD2 4.36Å; L662-Q666 WeakPolarHBondContact O-CA 3.34Å; L662-Q666 PolarHBondContact O-N 2.82Å; L662-S667 WeakPolarHBondContact CB-OG 3.33Å; L662-S667 PolarHBondContact N-O 2.8Å; L662-L669 HydrophobicContact CD1-CD1 3.79Å; L662-L669 HydrophobicContact CD1-CG 4.5Å; L662-L669 HydrophobicContact CG-CD1 4.4Å; L662-F679 HydrophobicContact CD1-CB 3.85Å; L662-F679 HydrophobicContact CD1-CD1 4.31Å; L662-F679 HydrophobicContact CD1-CD2 3.62Å; L662-F679 HydrophobicContact CD1-CE2 4.22Å; L662-F679 HydrophobicContact CD1-CG 3.67Å; L662-F679 HydrophobicContact CD2-CD1 4.46Å; L662-F679 HydrophobicContact CD2-CD2 3.71Å; L662-F679 HydrophobicContact CD2-CE1 4.21Å; L662-F679 HydrophobicContact CD2-CE2 3.39Å; L662-F679 HydrophobicContact CD2-CG 4.24Å; L662-F679 HydrophobicContact CD2-CZ 3.68Å; L662-F679 HydrophobicContact CG-CD2 4.34Å; L662-F679 HydrophobicContact CG-CE2 4.46Å
663W96.8Very high94Very high80 Ų8065 Ų6530%0.30334%0.342SS..EExtended strand (participates in β ladder)trans-123.5141.4178.6-57.7-40.5000111.3T610 E661 A683 R685T610-W663 HydrophobicContact CG2-CH2 3.87Å; T610-W663 HydrophobicContact CG2-CZ3 4.14Å; E661-W663 PolarHBondContact OE1-NE1 2.79Å; W663-A683 HydrophobicContact CE3-CB 4.23Å; W663-A683 PolarHBondContact N-O 3.34Å; W663-R685 HydrophobicContact CH2-CB 3.73Å; W663-R685 HydrophobicContact CZ2-CB 3.91Å; W663-R685 HydrophobicContact CZ3-CB 4.47Å
664P94.5Very high94.3Very high128 Ų12861.2 Ų61.283%0.83133%0.327SS*.THydrogen-bonded Turncis-87.40.44.735.6-36.5000114.5Q666P664-Q666 PolarHBondContact O-N 2.83Å; P664-Q666 VanDerWaalsContact O-N 3.15Å
665S94.1Very high94.7Very high79 Ų7958.4 Ų58.455%0.55232%0.321SS*.THydrogen-bonded Turntrans-63.4-20.9-173.961.90000114.5S667S665-S667 PolarHBondContact O-N 2.8Å; S665-S667 VanDerWaalsContact O-N 3.1Å; S665-S667 PolarHBondContact OG-N 2.97Å; S665-S667 PolarHBondContact OG-OG 2.81Å
666Q92.7Very high94.9Very high143 Ų14365.4 Ų65.467%0.66835%0.351SS*.  trans56.916.7-171.4-59.2-172.8-20.600113.8L662 P664L662-Q666 WeakPolarHBondContact O-CA 3.34Å; L662-Q666 PolarHBondContact O-N 2.82Å; P664-Q666 PolarHBondContact O-N 2.83Å; P664-Q666 VanDerWaalsContact O-N 3.15Å
667S94.4Very high95.1Very high44 Ų4465.2 Ų65.231%0.30835%0.349SS..  trans-68.7136.4176.557.90000110.2L662 S665L662-S667 WeakPolarHBondContact CB-OG 3.33Å; L662-S667 PolarHBondContact N-O 2.8Å; S665-S667 PolarHBondContact O-N 2.8Å; S665-S667 VanDerWaalsContact O-N 3.1Å; S665-S667 PolarHBondContact OG-N 2.97Å; S665-S667 PolarHBondContact OG-OG 2.81Å
668R95.7Very high95.2Very high144 Ų14464.4 Ų64.454%0.54336%0.355SS..EExtended strand (participates in β ladder)trans-110.3125.2177-62.8178.9-177.7-159.84.5110.3E659 A660 E661E659-R668 WeakPolarHBondContact OE1-CD 3.39Å; E659-R668 IonicContact OE1-CZ 3.76Å; E659-R668 IonicContact OE1-NE 2.91Å; E659-R668 IonicContact OE1-NH1 3.78Å; E659-R668 PolarHBondContact OE1-NH1 2.68Å; A660-R668 CarbonylContact O-C 3.59Å; A660-R668 WeakPolarHBondContact O-CA 3.48Å; E661-R668 HydrophobicContact CB-CG 4.49Å; E661-R668 HydrophobicContact CG-CG 4.36Å
669L96Very high95.2Very high51 Ų5165 Ų6527%0.26736%0.357SS..EExtended strand (participates in β ladder)trans-115.5119.4-178.7-57177.2000109.4E659 A660 L662 V677 F679E659-L669 CarbonylContact C-O 3.52Å; E659-L669 VanDerWaalsContact CA-O 3.24Å; E659-L669 WeakPolarHBondContact CA-O 3.05Å; E659-L669 WeakPolarHBondContact CB-O 3.42Å; A660-L669 HydrophobicContact CB-CB 4.48Å; A660-L669 PolarHBondContact N-O 2.84Å; A660-L669 PolarHBondContact O-N 3.05Å; L662-L669 HydrophobicContact CD1-CD1 3.79Å; L662-L669 HydrophobicContact CD1-CG 4.5Å; L662-L669 HydrophobicContact CG-CD1 4.4Å; L669-V677 HydrophobicContact CB-CG1 4.11Å; L669-V677 HydrophobicContact CD1-CG1 3.75Å; L669-V677 HydrophobicContact CG-CG1 4.49Å; L669-F679 HydrophobicContact CD1-CB 4.22Å; L669-F679 HydrophobicContact CD1-CD1 3.73Å; L669-F679 HydrophobicContact CD1-CE1 4.43Å; L669-F679 HydrophobicContact CD1-CG 4.19Å
670S95.5Very high95.2Very high69 Ų6969 Ų6948%0.48339%0.385SS..EExtended strand (participates in β ladder)trans-68133.2175.5-169.80000110.3
671L95.6Very high95.1Very high3 Ų374.3 Ų74.32%0.01641%0.405CS..EExtended strand (participates in β ladder)trans-101.289.8177.9-56.8177.1000109.6L634 V645 V647 L658 A660 V677 I686L634-L671 HydrophobicContact CD2-CD1 4.33Å; V645-L671 HydrophobicContact CB-CD2 4.34Å; V645-L671 HydrophobicContact CG1-CD1 4.1Å; V645-L671 HydrophobicContact CG1-CD2 4.33Å; V647-L671 HydrophobicContact CG2-CB 3.82Å; L658-L671 HydrophobicContact CB-CB 4.33Å; L658-L671 HydrophobicContact CB-CD1 4.2Å; L658-L671 WeakPolarHBondContact O-CB 3.46Å; L658-L671 PolarHBondContact O-N 2.88Å; A660-L671 HydrophobicContact CB-CD1 4.31Å; A660-L671 HydrophobicContact CB-CD2 4.28Å; A660-L671 HydrophobicContact CB-CG 4.46Å; L671-V677 HydrophobicContact CD2-CB 4.06Å; L671-V677 HydrophobicContact CD2-CG2 3.91Å; L671-I686 HydrophobicContact CD1-CD1 3.76Å; L671-I686 HydrophobicContact CD1-CG2 4.33Å
672L91.9Very high95Very high87 Ų8774.7 Ų74.746%0.45541%0.409SS..  trans-77134.7176.9-64.5175.7000110.1G674 H675L672-G674 PolarHBondContact O-N 2.91Å; L672-H675 HydrophobicContact CB-CB 4.28Å; L672-H675 PolarHBondContact O-N 2.92Å; L672-H675 VanDerWaalsContact O-N 3.12Å
673P92Very high95Very high53 Ų5375.4 Ų75.434%0.34442%0.416SS..THydrogen-bonded Turntrans-52.6137.1175.9-28.135.8000112.7V647 R650 H675V647-P673 HydrophobicContact CG1-CB 4.41Å; V647-P673 HydrophobicContact CG1-CG 4.28Å; V647-P673 CarbonylContact O-C 3.57Å; V647-P673 WeakPolarHBondContact O-CA 3.24Å; R650-P673 HydrophobicContact CG-CG 4.31Å; P673-H675 PolarHBondContact O-N 2.91Å; P673-H675 PolarHBondContact O-ND1 3.05Å
674G91.7Very high95Very high52 Ų5271.6 Ų71.654%0.53640%0.402SS..THydrogen-bonded Turntrans71.95-17900000115.6V647 L672V647-G674 PolarHBondContact O-N 2.82Å; L672-G674 PolarHBondContact O-N 2.91Å
675H94.2Very high95.1Very high115 Ų11567.4 Ų67.453%0.53237%0.37SS..  trans-112.1127.9177.5-64.572.9000110.5L672 P673L672-H675 HydrophobicContact CB-CB 4.28Å; L672-H675 PolarHBondContact O-N 2.92Å; L672-H675 VanDerWaalsContact O-N 3.12Å; P673-H675 PolarHBondContact O-N 2.91Å; P673-H675 PolarHBondContact O-ND1 3.05Å
676K96.4Very high95.3Very high147 Ų14763.8 Ų63.864%0.63934%0.344SS*.EExtended strand (participates in β ladder)trans-80.3131.3173.3-66.2-177.3175.5179.60110T644 E646T644-K676 HydrophobicContact CG2-CB 4.12Å; T644-K676 HydrophobicContact CG2-CG 4.5Å; E646-K676 HydrophobicContact CB-CG 4.06Å; E646-K676 HydrophobicContact CG-CG 4.08Å; E646-K676 WeakPolarHBondContact OE2-CE 3.44Å; E646-K676 IonicContact OE2-NZ 3.64Å
677V96.7Very high95.5Very high30 Ų3058 Ų5818%0.18232%0.317CS..EExtended strand (participates in β ladder)trans-115.9117.5174.2-177.60000108T644 V645 L669 L671 F679T644-V677 CarbonylContact C-O 3.59Å; T644-V677 WeakPolarHBondContact CA-O 3.33Å; V645-V677 PolarHBondContact N-O 3.28Å; V645-V677 PolarHBondContact O-N 2.91Å; L669-V677 HydrophobicContact CB-CG1 4.11Å; L669-V677 HydrophobicContact CD1-CG1 3.75Å; L669-V677 HydrophobicContact CG-CG1 4.49Å; L671-V677 HydrophobicContact CD2-CB 4.06Å; L671-V677 HydrophobicContact CD2-CG2 3.91Å; V677-F679 HydrophobicContact CG1-CD1 4.23Å
678S96.9Very high95.4Very high81 Ų8160.5 Ų60.557%0.56633%0.325SS*.EExtended strand (participates in β ladder)trans-112.7138.1178.4-570000110.6V643 T644V643-S678 WeakPolarHBondContact O-CA 3.24Å; T644-S678 WeakPolarHBondContact CG2-OG 3.42Å; T644-S678 PolarHBondContact OG1-OG 2.85Å
679F96.6Very high95Very high13 Ų1355.2 Ų55.26%0.05731%0.31CS..EExtended strand (participates in β ladder)trans-146.3159.7179.247-89.9000110.5F611 S642 V643 V645 L662 L669 V677F611-F679 AromaticContact CE2-CE2 3.9Å; F611-F679 HydrophobicContact CE2-CE2 3.9Å; F611-F679 HydrophobicContact CE2-CZ 4.04Å; F611-F679 HydrophobicContact CZ-CE2 4.03Å; F611-F679 AromaticContact CZ-CZ 3.79Å; F611-F679 HydrophobicContact CZ-CZ 3.79Å; S642-F679 VanDerWaalsContact CA-O 3.29Å; S642-F679 WeakPolarHBondContact CA-O 3.2Å; V643-F679 HydrophobicContact CB-CD2 4.1Å; V643-F679 HydrophobicContact CB-CE2 3.52Å; V643-F679 HydrophobicContact CB-CZ 3.77Å; V643-F679 HydrophobicContact CG1-CE2 3.98Å; V643-F679 HydrophobicContact CG1-CZ 3.73Å; V643-F679 HydrophobicContact CG2-CE2 4.13Å; V643-F679 PolarHBondContact N-O 2.88Å; V643-F679 PolarHBondContact O-N 3.45Å; V645-F679 HydrophobicContact CG2-CE1 3.9Å; V645-F679 HydrophobicContact CG2-CZ 3.96Å; L662-F679 HydrophobicContact CD1-CB 3.85Å; L662-F679 HydrophobicContact CD1-CD1 4.31Å; L662-F679 HydrophobicContact CD1-CD2 3.62Å; L662-F679 HydrophobicContact CD1-CE2 4.22Å; L662-F679 HydrophobicContact CD1-CG 3.67Å; L662-F679 HydrophobicContact CD2-CD1 4.46Å; L662-F679 HydrophobicContact CD2-CD2 3.71Å; L662-F679 HydrophobicContact CD2-CE1 4.21Å; L662-F679 HydrophobicContact CD2-CE2 3.39Å; L662-F679 HydrophobicContact CD2-CG 4.24Å; L662-F679 HydrophobicContact CD2-CZ 3.68Å; L662-F679 HydrophobicContact CG-CD2 4.34Å; L662-F679 HydrophobicContact CG-CE2 4.46Å; L669-F679 HydrophobicContact CD1-CB 4.22Å; L669-F679 HydrophobicContact CD1-CD1 3.73Å; L669-F679 HydrophobicContact CD1-CE1 4.43Å; L669-F679 HydrophobicContact CD1-CG 4.19Å; V677-F679 HydrophobicContact CG1-CD1 4.23Å
680P95.6Very high94.3Very high102 Ų10256.2 Ų56.266%0.66232%0.32SS*.EExtended strand (participates in β ladder)trans-55.2145.8176.2-24.934.7000111.9D641 S682D641-P680 WeakPolarHBondContact O-CA 3.42Å; P680-S682 PolarHBondContact O-N 2.95Å; P680-S682 PolarHBondContact O-OG 3.06Å
681R95Very high93.1Very high113 Ų11358.8 Ų58.843%0.42633%0.334SS..SBendtrans-55.6112.6-179.3-171.817962.491.22.2110.7P613 S639 E640 D641 V643P613-R681 HydrophobicContact CG-CG 3.82Å; P613-R681 PolarHBondContact O-NH1 3.33Å; S639-R681 WeakPolarHBondContact O-CD 3.33Å; E640-R681 WeakPolarHBondContact O-CD 3.39Å; E640-R681 PolarHBondContact O-NE 2.91Å; D641-R681 PolarHBondContact O-N 2.82Å; V643-R681 HydrophobicContact CG2-CG 4.41Å
682S95.2Very high91.3Very high27 Ų2767.8 Ų67.819%0.18937%0.373CS..  trans-151.1158.7-17645.90000109.8F611 P680F611-S682 WeakPolarHBondContact CE2-O 3.3Å; P680-S682 PolarHBondContact O-N 2.95Å; P680-S682 PolarHBondContact O-OG 3.06Å
683A96.9Very high89Confident22 Ų2270.3 Ų70.318%0.18239%0.387CS..EExtended strand (participates in β ladder)trans-72.2156.8168.700000110F611 D612 W663F611-A683 CarbonylContact O-C 3.34Å; F611-A683 VanDerWaalsContact O-CA 3.28Å; F611-A683 WeakPolarHBondContact O-CA 3.5Å; D612-A683 HydrophobicContact CB-CB 3.95Å; W663-A683 HydrophobicContact CE3-CB 4.23Å; W663-A683 PolarHBondContact N-O 3.34Å
684G97.4Very high86.2Confident0 Ų074.2 Ų74.20%041%0.412CS..EExtended strand (participates in β ladder)trans-174.2-171.7176.400000113.5T610 F611 E661T610-G684 CarbonylContact C-O 3.4Å; T610-G684 WeakPolarHBondContact CA-O 3.45Å; F611-G684 PolarHBondContact N-O 3.48Å; F611-G684 PolarHBondContact O-N 3.16Å; E661-G684 CarbonylContact O-C 3.51Å; E661-G684 WeakPolarHBondContact O-CA 3.34Å
685R97.5Very high83.8Confident41 Ų4175.2 Ų75.216%0.15542%0.423CS..EExtended strand (participates in β ladder)trans-140.9133179.2-178.8173.461-158.2-6.8111.3V609 T610 A660 E661 W663 Q687V609-R685 WeakPolarHBondContact O-CA 3.32Å; T610-R685 HydrophobicContact CG2-CB 4.18Å; T610-R685 HydrophobicContact CG2-CG 4.13Å; A660-R685 CarbonylContact C-O 3.59Å; A660-R685 WeakPolarHBondContact CA-O 3.36Å; E661-R685 PolarHBondContact N-O 3.34Å; E661-R685 PolarHBondContact O-N 2.79Å; E661-R685 IonicContact OE1-NH2 3.78Å; E661-R685 IonicContact OE2-CZ 3.54Å; E661-R685 IonicContact OE2-NE 3.38Å; E661-R685 IonicContact OE2-NH2 2.74Å; E661-R685 PolarHBondContact OE2-NH2 3.49Å; W663-R685 HydrophobicContact CH2-CB 3.73Å; W663-R685 HydrophobicContact CZ2-CB 3.91Å; W663-R685 HydrophobicContact CZ3-CB 4.47Å; R685-Q687 HydrophobicContact CG-CB 4.42Å
686I97.6Very high80.9Confident2 Ų274.2 Ų74.21%0.0143%0.428CS..EExtended strand (participates in β ladder)trans-85.3124163.8-50.4-60.7000108.2G608 V609 F611 Y629 L634 F636 V645 L658 E659 A660 L671G608-I686 VanDerWaalsContact CA-O 3.3Å; G608-I686 WeakPolarHBondContact CA-O 2.99Å; V609-I686 HydrophobicContact CB-CB 4.46Å; V609-I686 PolarHBondContact N-O 3.15Å; V609-I686 PolarHBondContact O-N 3.3Å; F611-I686 HydrophobicContact CD1-CD1 4.39Å; F611-I686 HydrophobicContact CD1-CG1 4.24Å; F611-I686 HydrophobicContact CE1-CD1 3.81Å; F611-I686 HydrophobicContact CE1-CG1 4.11Å; Y629-I686 HydrophobicContact CD1-CG2 4.27Å; L634-I686 HydrophobicContact CD2-CG2 4.18Å; F636-I686 HydrophobicContact CE1-CD1 4.21Å; F636-I686 HydrophobicContact CE1-CG1 4.28Å; F636-I686 HydrophobicContact CZ-CD1 4.12Å; F636-I686 HydrophobicContact CZ-CG1 3.87Å; V645-I686 HydrophobicContact CG1-CD1 4.36Å; L658-I686 HydrophobicContact CB-CG2 4.29Å; L658-I686 HydrophobicContact CD1-CG2 3.97Å; E659-I686 WeakPolarHBondContact O-CA 3.07Å; A660-I686 HydrophobicContact CB-CD1 3.97Å; L671-I686 HydrophobicContact CD1-CD1 3.76Å; L671-I686 HydrophobicContact CD1-CG2 4.33Å
687Q95.7Very high77.9Confident21 Ų2172.2 Ų72.210%0.09843%0.433CS..EExtended strand (participates in β ladder)trans-142.2167.3-179.467.7-167.57.700111.4L658 E659 E661 R685 S689L658-Q687 WeakPolarHBondContact CA-O 3.47Å; E659-Q687 HydrophobicContact CG-CG 3.68Å; E659-Q687 PolarHBondContact N-O 2.99Å; E659-Q687 PolarHBondContact O-N 3Å; E659-Q687 PolarHBondContact OE1-NE2 3.47Å; E661-Q687 PolarHBondContact OE2-NE2 2.84Å; E661-Q687 PolarHBondContact OE2-OE1 2.99Å; R685-Q687 HydrophobicContact CG-CB 4.42Å; Q687-S689 PolarHBondContact O-N 2.93Å
688M93.9Very high74.7Confident98 Ų9876.9 Ų76.948%0.48347%0.467SS..EExtended strand (participates in β ladder)trans-63.7133171.2-64-173.3-75.600109.9Q630 P656Q630-M688 PolarHBondContact OE1-SD 2.73Å; P656-M688 HydrophobicContact CB-CB 4.34Å; P656-M688 HydrophobicContact CB-CG 3.82Å; P656-M688 HydrophobicContact CB-SD 4Å; P656-M688 HydrophobicContact CG-CG 3.78Å; P656-M688 HydrophobicContact CG-SD 3.98Å
689S87.1Confident71.6Confident33 Ų3377.8 Ų77.823%0.23147%0.473CS..PPolyproline II helixtrans-63.3132.9170.4-590000109.4H657 L658 Q687H657-S689 PolarHBondContact O-N 2.92Å; H657-S689 PolarHBondContact O-OG 2.87Å; L658-S689 VanDerWaalsContact C-OG 3.25Å; L658-S689 PolarHBondContact O-OG 2.78Å; Q687-S689 PolarHBondContact O-N 2.93Å
690P80.4Confident68.4Low72 Ų7286 Ų8647%0.46851%0.512SS..PPolyproline II helixtrans-59.5143.1175.722.6-30.4000110E659 K692E659-P690 WeakPolarHBondContact OE2-CD 3.09Å; P690-K692 PolarHBondContact O-N 2.99Å
691P70.7Confident65.3Low122 Ų12290.8 Ų90.879%0.79252%0.523SS*.PPolyproline II helixtrans-56.7125.6178.420.8-30.6000109.6L693P691-L693 PolarHBondContact O-N 3.32Å
692K58.9Low62.3Low192 Ų19291.5 Ų91.584%0.83554%0.542SS*.  trans-61.3113.1172.3-74.5-173.5178.9-178.50107.7P690P690-K692 PolarHBondContact O-N 2.99Å
693L43.4Very low59Low141 Ų14193.8 Ų93.874%0.73857%0.569SS**  trans-52.5127.8170.4-79158.6000108.5P691 G695P691-L693 PolarHBondContact O-N 3.32Å; L693-G695 PolarHBondContact O-N 2.78Å
694P33.2Very low55.8Low135 Ų135104 Ų10488%0.87760%0.603SS**THydrogen-bonded Turntrans-64.5105177.324.4-30.5000108.7
695G39.9Very low52.4Low73 Ų73110.6 Ų110.675%0.75364%0.644SS**THydrogen-bonded Turntrans145.9-13.1178.900000116.6L693 S697L693-G695 PolarHBondContact O-N 2.78Å; G695-S697 PolarHBondContact O-N 2.66Å
696S33.8Very low49.4Very low93 Ų93118.1 Ų118.165%0.6568%0.678SS**  trans-90.676.2176.258.60000112.1S698S696-S698 PolarHBondContact O-N 3.18Å
697S33.6Very low46.1Very low106 Ų106122.7 Ų122.774%0.74171%0.71SS**  trans-67.4122.6153.757.40000107.9G695 S699G695-S697 PolarHBondContact O-N 2.66Å; S697-S699 PolarHBondContact O-N 2.83Å
698S30.5Very low42.9Very low128 Ų128128.2 Ų128.290%0.89574%0.741SS**  trans-58.1103.6174.7510000110.9S696S696-S698 PolarHBondContact O-N 3.18Å
699S30.7Very low39.9Very low100 Ų100130.7 Ų130.770%0.69976%0.761SS**  trans-119.6117.6154.861.90000107.6S697 F701S697-S699 PolarHBondContact O-N 2.83Å; S699-F701 PolarHBondContact O-N 3.01Å
700E29Very low37.1Very low184 Ų184140.2 Ų140.286%0.8679%0.792SS**  trans-47.3125.4171.2-64.6173.6134.500111.1
701F31.4Very low34.7Very low204 Ų204144 Ų14490%0.89581%0.808SS**  trans-162.9138.6143.6-92.4-68.4000109.5S699S699-F701 PolarHBondContact O-N 3.01Å
702P31.7Very low32.7Very low127 Ų127143.7 Ų143.783%0.82581%0.806SS**  trans-88.4141.3-174.434.4-29.7000111.6
703G26.5Very low31.1Very low75 Ų75142.3 Ų142.377%0.77381%0.807SS**  trans104.298160.400000115.2
704R30Very low30.5Very low236 Ų236144.1 Ų144.189%0.89181%0.812SS**  -170.7124.7128.2-103.4170.6-167.6-160.93.6110.4
705T26Very low30.3Very low139 Ų139143 Ų14385%0.85381%0.806SS**  trans-61.5132170.137.10000110.6
706F33.5Very low29.9Very low200 Ų200144.3 Ų144.388%0.87780%0.802SS**  trans-118.3122.9160.8-95.9-84.7000109
707S28.9Very low29.7Very low97 Ų97147.6 Ų147.668%0.67881%0.812SS**  trans-84.7148.8175.146.20000111.5
708D28.3Very low29.7Very low138 Ų138152 Ų15274%0.73881%0.812SS**  trans65.698.6152.9-65.6-27.1000120.3
709V30.2Very low29.6Very low150 Ų150151.8 Ų151.891%0.90981%0.805SS**  -142.1110.2116.3-179.20000107.3
710R29.5Very low29.7Very low232 Ų232153.2 Ų153.288%0.87581%0.809SS**  trans-95.4120.5171.4-85.5-176.8175.2-177.3-1.3109.4
711D29.6Very low29.7Very low152 Ų152152.5 Ų152.581%0.81381%0.811SS**  trans-81.7122.9165.1-152.4-7.3000108.1L713D711-L713 PolarHBondContact O-N 3.4Å
712P27.2Very low29.5Very low115 Ų115145.9 Ų145.975%0.74780%0.8SS**SBendtrans-95.382.8-174.335-28.3000109.8
713L26.1Very low29.2Very low164 Ų164145.8 Ų145.886%0.85980%0.803SS**  trans-172.469.5161.9-101161000108.8D711D711-L713 PolarHBondContact O-N 3.4Å
714Q30.8Very low29.4Very low179 Ų179147.6 Ų147.684%0.83680%0.804SS**  trans-171.4112.1157.4-108.1168.839.100110.4
715S28.2Very low29.3Very low110 Ų110141.9 Ų141.977%0.76980%0.8SS**  trans-135.6113.8163.160.20000108.7
716P32.7Very low29.8Very low102 Ų102141.3 Ų141.366%0.66280%0.799SS**  trans-100.7113.2151.418-1.1000108.4W718P716-W718 PolarHBondContact O-N 2.88Å
717L28.5Very low29.6Very low162 Ų162138.3 Ų138.385%0.84880%0.796SS**  trans-68.8106.1167.3-87.3152.4000108.5
718W34.8Very low29.8Very low199 Ų199142.4 Ų142.475%0.75481%0.805SS**  trans-103.6110161.4-70.798000108.4P515 P716 T720P515-W718 HydrophobicContact CG-CZ3 4.27Å; P716-W718 PolarHBondContact O-N 2.88Å; W718-T720 PolarHBondContact O-N 3.22Å
719V28.4Very low29.9Very low122 Ų122140.6 Ų140.674%0.73980%0.803SS**  trans-83105168.5175.10000107.4
720T32.9Very low29.9Very low130 Ų130141.5 Ų141.580%0.79880%0.802SS**  trans-81.9111.4163.444.90000108.9W718 G722W718-T720 PolarHBondContact O-N 3.22Å; T720-G722 PolarHBondContact O-N 3.2Å; T720-G722 VanDerWaalsContact O-N 3.12Å
721L27.9Very low30.1Very low169 Ų169135.9 Ų135.989%0.88579%0.794SS**  trans-66.4104167-79.2162.9000109
722G28Very low30.2Very low66 Ų66134.4 Ų134.468%0.6879%0.79SS**  trans-79122.2167.800000110.3T720 S724T720-G722 PolarHBondContact O-N 3.2Å; T720-G722 VanDerWaalsContact O-N 3.12Å; G722-S724 PolarHBondContact O-N 2.95Å
723S25Very low30.5Very low125 Ų125136 Ų13687%0.87479%0.792SS**  trans-61.8114.3164.354.30000110.2
724S31Very low31Very low113 Ų113133.5 Ų133.579%0.7979%0.786SS**  trans-136.596.9165.362.80000110.1G722G722-S724 PolarHBondContact O-N 2.95Å
725S28.4Very low31.5Very low116 Ų116129.5 Ų129.581%0.81178%0.783SS**PPolyproline II helixtrans-99.3120.3162.147.70000108.6
726P36.7Very low32.1Very low127 Ų127130 Ų13083%0.82579%0.787SS**PPolyproline II helixtrans-100.5122.4165.225.1-11.1000110.8
727T29.4Very low32.5Very low136 Ų136138.2 Ų138.283%0.83482%0.817SS**PPolyproline II helixtrans-82.3126.8158.4380000110
728E33Very low32.7Very low183 Ų183137.1 Ų137.186%0.85582%0.815SS**  trans172.795.3141.3-97.4-178172.700107.3
729S29.4Very low32.6Very low101 Ų101133.8 Ų133.871%0.70682%0.818SS**  67.8107.495.368.80000114.5
730L31.6Very low32.8Very low168 Ų168134.4 Ų134.488%0.8882%0.823SS**  trans-164.386.8146.2-99.7160.7000109.1
731T31.9Very low32.8Very low114 Ų114134.7 Ų134.770%0.69982%0.824SS**  trans25.5130.5134.641.10000122.9
732V32.3Very low33.1Very low122 Ų122132.6 Ų132.674%0.73982%0.82SS**  trans83.9124.2135-179.10000114.9
733D33.6Very low33.4Very low147 Ų147137 Ų13779%0.78683%0.83SS**  cis-159.6159.837.9-124.1-21.9000111.3
734P37.1Very low34Very low112 Ų112137.9 Ų137.973%0.72783%0.826SS**  trans-105.2166.2176.337.3-26.5000114.5
735A41.5Very low34.3Very low95 Ų95139.8 Ų139.879%0.78583%0.829SS**  trans101.4108.316300000117.6
736S41Very low34.8Very low121 Ų121141.8 Ų141.885%0.84683%0.831SS**  -178.7143.5101.232.10000112.1
737E39.7Very low34.6Very low275 Ų275143.1 Ų143.1100%1.28583%0.831SS**  trans77.80176.1-61.2-169.1163.500119.7

Retrieved 737 of 737 residues in 1593.2 ms (Link to these results)

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