A0A077ZBY7_TRITR Loading...

Dpy-30 and NDK domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBY7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 212 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
1M31.3Very low38.6Very low239 Ų239143.9 Ų143.9100%1.17778%0.775SS**  095.20-75.5162.768.600106.8
2S35.4Very low39.8Very low123 Ų123149 Ų14986%0.8678%0.778SS**  trans-144.377.6178.1-38.60000106.3
3K35.2Very low41Very low214 Ų214141.3 Ų141.393%0.9374%0.744SS**  trans-112.180.2166.5-81.2-163.5177.7-172.10106.3
4D40Very low42.9Very low141 Ų141135.3 Ų135.375%0.75471%0.712SS**  trans-151.162.7162.1-177.77000106.6S6D4-S6 VanDerWaalsContact C-N 3.26Å; D4-S6 PolarHBondContact O-N 2.88Å; D4-S6 PolarHBondContact OD1-N 3.2Å
5G36.7Very low45.6Very low70 Ų70132.6 Ų132.672%0.72270%0.698SS**  trans-86.886.3153.200000104.5I7G5-I7 PolarHBondContact O-N 3.27Å
6S37.3Very low48.3Very low53 Ų53125.7 Ų125.737%0.37166%0.661SS.*  trans-45.9113.8174.2176.50000108.9D4 H8 D9D4-S6 VanDerWaalsContact C-N 3.26Å; D4-S6 PolarHBondContact O-N 2.88Å; D4-S6 PolarHBondContact OD1-N 3.2Å; S6-H8 PolarHBondContact O-N 2.99Å; S6-D9 PolarHBondContact O-N 3.13Å
7I43.9Very low51Low155 Ų155118.9 Ų118.980%0.79563%0.625SS**G310 helixtrans-58.9-12.4179-67.8170.8000111.2G5G5-I7 PolarHBondContact O-N 3.27Å
8H39.2Very low53.5Low148 Ų148112.3 Ų112.369%0.68559%0.591SS**G310 helixtrans-73.9-25.7174-98.1-69.1000114.8S6 L10 E11S6-H8 PolarHBondContact O-N 2.99Å; H8-L10 PolarHBondContact O-N 2.99Å; H8-E11 WeakPolarHBondContact O-CB 3.34Å; H8-E11 PolarHBondContact O-N 2.82Å
9D41.8Very low55.9Low145 Ų145106.4 Ų106.478%0.77556%0.56SS**G310 helixtrans-82.2-5.8-179.4-71.1-12.7000113S6 E11S6-D9 PolarHBondContact O-N 3.13Å; D9-E11 PolarHBondContact O-N 3.42Å
10L39.3Very low58Low140 Ų140101.1 Ų101.173%0.73353%0.532SS*.G310 helixtrans-83.114.5161.6-88.6153.5000111.5H8 Y12H8-L10 PolarHBondContact O-N 2.99Å; L10-Y12 VanDerWaalsContact C-N 3.32Å; L10-Y12 PolarHBondContact O-N 3.41Å
11E45.1Very low60Low155 Ų15596.3 Ų96.372%0.72451%0.506SS*.SBendtrans-42107.3157.9-131.6179.5-169.200106H8 D9 S13H8-E11 WeakPolarHBondContact O-CB 3.34Å; H8-E11 PolarHBondContact O-N 2.82Å; D9-E11 PolarHBondContact O-N 3.42Å; E11-S13 PolarHBondContact O-N 3.36Å
12Y52.5Low63.2Low205 Ų20584.9 Ų84.980%0.80445%0.45SS*.  trans-46.8105-171.5-66.7-95000107L10 L14L10-Y12 VanDerWaalsContact C-N 3.32Å; L10-Y12 PolarHBondContact O-N 3.41Å; Y12-L14 VanDerWaalsContact C-N 3.28Å; Y12-L14 VanDerWaalsContact O-CD2 3.31Å; Y12-L14 WeakPolarHBondContact O-CD2 3.39Å; Y12-L14 VanDerWaalsContact O-CG 3.23Å; Y12-L14 WeakPolarHBondContact O-CG 3.38Å; Y12-L14 PolarHBondContact O-N 3.45Å
13S55.4Low66.2Low49 Ų4979.1 Ų79.134%0.34341%0.409SS..  trans-70.197.2-178.561.30000106.2E11 L15 R90E11-S13 PolarHBondContact O-N 3.36Å; S13-L15 PolarHBondContact O-N 3.34Å; S13-R90 WeakPolarHBondContact OG-CD 3.24Å; S13-R90 PolarHBondContact OG-NE 2.81Å
14L67.7Low69.2Low57 Ų5769.6 Ų69.630%0.29837%0.37SS..  trans-69.5122.4-166.9-58.6173.5000108.5Y12 E16 R90 N91 D149Y12-L14 VanDerWaalsContact C-N 3.28Å; Y12-L14 VanDerWaalsContact O-CD2 3.31Å; Y12-L14 WeakPolarHBondContact O-CD2 3.39Å; Y12-L14 VanDerWaalsContact O-CG 3.23Å; Y12-L14 WeakPolarHBondContact O-CG 3.38Å; Y12-L14 PolarHBondContact O-N 3.45Å; L14-E16 PolarHBondContact O-N 3.21Å; L14-R90 WeakPolarHBondContact O-CA 3.31Å; L14-N91 PolarHBondContact O-N 3.45Å; L14-D149 WeakPolarHBondContact CB-OD2 3.49Å; L14-D149 WeakPolarHBondContact CD1-OD2 3.35Å; L14-D149 HydrophobicContact CD2-CB 4.23Å; L14-D149 WeakPolarHBondContact CD2-OD1 3.37Å; L14-D149 WeakPolarHBondContact CD2-OD2 3.2Å; L14-D149 VanDerWaalsContact CG-OD2 3.23Å; L14-D149 WeakPolarHBondContact CG-OD2 3.38Å
15L83.1Confident71.9Confident95 Ų9568.1 Ų68.150%0.49735%0.354SS..EExtended strand (participates in β ladder)trans-72.7110.5170-178.469000107.1S13 A146S13-L15 PolarHBondContact O-N 3.34Å; L15-A146 WeakPolarHBondContact O-CB 3.17Å
16E89.7Confident74.9Confident22 Ų2264.8 Ų64.810%0.10332%0.319CS..EExtended strand (participates in β ladder)trans-126.8162.1-175.464.3-175.5-176.700111.9L14 N88 G89 N91 A92 I93L14-E16 PolarHBondContact O-N 3.21Å; E16-N88 WeakPolarHBondContact O-CA 3.34Å; E16-N88 PolarHBondContact O-ND2 3.32Å; E16-G89 PolarHBondContact N-O 2.7Å; E16-G89 PolarHBondContact O-N 3.28Å; E16-N91 WeakPolarHBondContact OE1-CA 3.46Å; E16-A92 HydrophobicContact CG-CB 3.94Å; E16-A92 PolarHBondContact OE1-N 2.95Å; E16-I93 HydrophobicContact CG-CG1 4.38Å; E16-I93 VanDerWaalsContact OE1-CB 3.3Å; E16-I93 WeakPolarHBondContact OE1-CB 3.16Å; E16-I93 PolarHBondContact OE1-N 3.03Å; E16-I93 WeakPolarHBondContact OE2-CD1 3.37Å
17N94Very high77.7Confident11 Ų1163.2 Ų63.26%0.05931%0.308CS..EExtended strand (participates in β ladder)trans-113.1140.1169.1-68.4106.8000110.5I86 L87 N88 A132 I136 I145 A146N17-I86 HydrophobicContact CB-CG2 4.22Å; N17-L87 WeakPolarHBondContact CA-O 3.41Å; N17-L87 PolarHBondContact ND2-O 3.44Å; N17-N88 WeakPolarHBondContact ND2-CB 3.43Å; N17-N88 PolarHBondContact ND2-ND2 3.31Å; N17-N88 VanDerWaalsContact ND2-ND2 3.12Å; N17-A132 WeakPolarHBondContact O-CB 3.35Å; N17-I136 HydrophobicContact CB-CD1 3.72Å; N17-I145 HydrophobicContact CB-CG2 4.38Å; N17-I145 WeakPolarHBondContact OD1-CA 3.25Å; N17-A146 WeakPolarHBondContact OD1-CB 3.36Å; N17-A146 PolarHBondContact OD1-N 3.32Å
18T96.4Very high80.3Confident0 Ų059 Ų590%029%0.292CS..EExtended strand (participates in β ladder)trans-129.5151.4170.7-171.20000111.2L87 A92 I93 W96T18-L87 HydrophobicContact CG2-CB 3.71Å; T18-L87 HydrophobicContact CG2-CD1 4.04Å; T18-L87 HydrophobicContact CG2-CG 4.24Å; T18-L87 PolarHBondContact N-O 3.3Å; T18-L87 VanDerWaalsContact N-O 3.09Å; T18-L87 PolarHBondContact O-N 3.48Å; T18-A92 HydrophobicContact CG2-CB 4.31Å; T18-I93 HydrophobicContact CG2-CG1 4.46Å; T18-W96 HydrophobicContact CG2-CB 4.08Å; T18-W96 HydrophobicContact CG2-CG 4.39Å
19L98.3Very high83.1Confident0 Ų052.7 Ų52.70%026%0.263CS..EExtended strand (participates in β ladder)trans-80138.3165.9-164.681.7000109I21 F60 V84 S126 E135 I136 F139 F140L19-I21 HydrophobicContact CD2-CD1 3.88Å; L19-I21 HydrophobicContact CD2-CG1 3.84Å; L19-I21 HydrophobicContact CG-CG1 4.38Å; L19-F60 HydrophobicContact CD2-CE2 3.88Å; L19-F60 HydrophobicContact CD2-CZ 3.94Å; L19-V84 HydrophobicContact CD1-CG1 3.54Å; L19-V84 HydrophobicContact CD2-CG1 4.29Å; L19-V84 HydrophobicContact CG-CG1 4.06Å; L19-S126 WeakPolarHBondContact CB-OG 3.29Å; L19-S126 PolarHBondContact N-OG 3.37Å; L19-E135 HydrophobicContact CB-CB 4.08Å; L19-E135 HydrophobicContact CD2-CB 3.8Å; L19-E135 HydrophobicContact CG-CB 4.46Å; L19-I136 HydrophobicContact CB-CG1 4.15Å; L19-I136 HydrophobicContact CD1-CG1 4.13Å; L19-F139 HydrophobicContact CD1-CB 4.46Å; L19-F139 HydrophobicContact CD1-CD2 3.97Å; L19-F139 HydrophobicContact CD2-CD2 3.6Å; L19-F139 HydrophobicContact CD2-CE2 3.63Å; L19-F139 HydrophobicContact CG-CD2 4.46Å; L19-F140 HydrophobicContact CD1-CD2 4.46Å; L19-F140 HydrophobicContact CD1-CE2 4.15Å
20A98.7Very high85.8Confident0 Ų046.1 Ų46.10%023%0.227CC..EExtended strand (participates in β ladder)trans-123.1138.716400000110V84 F85 L87 W96 H124A20-V84 CarbonylContact O-C 3.58Å; A20-V84 WeakPolarHBondContact O-CA 3.15Å; A20-F85 HydrophobicContact CB-CB 4.26Å; A20-F85 HydrophobicContact CB-CD2 4.1Å; A20-F85 PolarHBondContact N-O 3.34Å; A20-F85 PolarHBondContact O-N 2.81Å; A20-L87 HydrophobicContact CB-CD1 3.69Å; A20-L87 HydrophobicContact CB-CG 3.93Å; A20-W96 HydrophobicContact CB-CD2 4.14Å; A20-W96 VanDerWaalsContact CB-CE2 3.45Å; A20-W96 HydrophobicContact CB-CH2 4.48Å; A20-W96 HydrophobicContact CB-CZ2 3.67Å; A20-H124 WeakPolarHBondContact CA-O 3.49Å
21I98.8Very high88.5Confident0 Ų043.6 Ų43.60%022%0.215CC..EExtended strand (participates in β ladder)trans-124.7128.6171.9-47.6176.4000109L19 K23 F60 L77 Y83 V84 L123 H124 F139L19-I21 HydrophobicContact CD2-CD1 3.88Å; L19-I21 HydrophobicContact CD2-CG1 3.84Å; L19-I21 HydrophobicContact CG-CG1 4.38Å; I21-K23 HydrophobicContact CG2-CG 4.17Å; I21-F60 HydrophobicContact CD1-CE1 3.68Å; I21-F60 HydrophobicContact CD1-CE2 4.35Å; I21-F60 HydrophobicContact CD1-CZ 3.53Å; I21-L77 HydrophobicContact CG2-CD1 3.94Å; I21-Y83 CarbonylContact C-O 3.58Å; I21-Y83 WeakPolarHBondContact CA-O 3.46Å; I21-V84 HydrophobicContact CG1-CG1 4.28Å; I21-V84 HydrophobicContact CG1-CG2 4.31Å; I21-V84 HydrophobicContact CG2-CG2 4.22Å; I21-L123 CarbonylContact O-C 3.58Å; I21-L123 WeakPolarHBondContact O-CA 3.15Å; I21-H124 HydrophobicContact CB-CB 3.77Å; I21-H124 HydrophobicContact CD1-CB 4.08Å; I21-H124 HydrophobicContact CG1-CB 3.97Å; I21-H124 PolarHBondContact N-O 2.95Å; I21-H124 PolarHBondContact O-N 2.79Å; I21-F139 HydrophobicContact CD1-CE2 3.96Å; I21-F139 HydrophobicContact CD1-CZ 4Å
22V98.7Very high91Very high0 Ų041.5 Ų41.50%020%0.2CC..EExtended strand (participates in β ladder)trans-95.8104.7164.2-177.20000106.9V26 I33 S82 Y83 F85 L123V22-V26 HydrophobicContact CG1-CG2 3.84Å; V22-I33 HydrophobicContact CB-CD1 4.42Å; V22-I33 HydrophobicContact CG1-CD1 3.54Å; V22-I33 HydrophobicContact CG2-CB 4.44Å; V22-I33 HydrophobicContact CG2-CD1 3.98Å; V22-I33 HydrophobicContact CG2-CG2 3.94Å; V22-S82 WeakPolarHBondContact O-CA 3.41Å; V22-S82 WeakPolarHBondContact O-CB 3.39Å; V22-Y83 PolarHBondContact N-O 2.84Å; V22-Y83 PolarHBondContact O-N 3.42Å; V22-Y83 VanDerWaalsContact O-N 3.07Å; V22-F85 HydrophobicContact CG2-CD2 4.48Å; V22-F85 HydrophobicContact CG2-CE2 3.62Å; V22-F85 HydrophobicContact CG2-CZ 4.3Å; V22-L123 HydrophobicContact CG1-CD2 4.47Å; V22-L123 HydrophobicContact CG2-CD2 4.2Å
23K98.4Very high93.2Very high1 Ų131.8 Ų31.80%0.00416%0.162CC..  trans-74166.8-172.6-62.7-176-161.7165.50111.5I21 R25 V26 S27 Y61 L77 D121 D122 L123I21-K23 HydrophobicContact CG2-CG 4.17Å; K23-R25 VanDerWaalsContact C-N 3.3Å; K23-R25 PolarHBondContact O-N 2.88Å; K23-R25 VanDerWaalsContact O-N 3.12Å; K23-V26 PolarHBondContact O-N 2.85Å; K23-V26 VanDerWaalsContact O-N 3.13Å; K23-S27 PolarHBondContact O-N 3.37Å; K23-S27 VanDerWaalsContact O-N 3.16Å; K23-Y61 VanDerWaalsContact CE-OH 3.28Å; K23-Y61 WeakPolarHBondContact CE-OH 3.36Å; K23-Y61 PolarHBondContact NZ-OH 3.34Å; K23-L77 HydrophobicContact CG-CD1 4.22Å; K23-D121 VanDerWaalsContact CD-O 3.25Å; K23-D121 WeakPolarHBondContact CD-O 3.31Å; K23-D121 WeakPolarHBondContact CE-O 2.92Å; K23-D121 PolarHBondContact NZ-O 3.5Å; K23-D122 WeakPolarHBondContact CB-O 3.47Å; K23-D122 WeakPolarHBondContact CG-O 3.29Å; K23-D122 PolarHBondContact N-O 3.16Å; K23-L123 WeakPolarHBondContact CE-O 3.41Å; K23-L123 PolarHBondContact NZ-O 3.24Å
24P98.3Very high95.2Very high15 Ų1530 Ų3010%0.09715%0.149CC..G310 helixtrans-62.3-30.5-164.3-2333.5000115.5V26 S27 M76 S80 D81 S82P24-V26 PolarHBondContact O-N 3.21Å; P24-S27 PolarHBondContact O-N 3.29Å; P24-S27 PolarHBondContact O-OG 3.28Å; P24-S27 VanDerWaalsContact O-OG 3.05Å; P24-M76 WeakPolarHBondContact CD-O 3.04Å; P24-M76 WeakPolarHBondContact CG-O 3.5Å; P24-S80 VanDerWaalsContact CG-O 3.23Å; P24-S80 WeakPolarHBondContact CG-O 3.17Å; P24-D81 WeakPolarHBondContact CA-O 3.3Å; P24-D81 WeakPolarHBondContact CB-O 3.43Å; P24-S82 VanDerWaalsContact CD-OG 3.25Å; P24-S82 WeakPolarHBondContact CD-OG 3.11Å; P24-S82 WeakPolarHBondContact CG-OG 3.5Å
25R97.5Very high96.5Very high110 Ų11032.1 Ų32.142%0.41516%0.157SC..G310 helixtrans-60-33.4179.7-166.7-175.474.182-8112.9K23 T116 I117 D122K23-R25 VanDerWaalsContact C-N 3.3Å; K23-R25 PolarHBondContact O-N 2.88Å; K23-R25 VanDerWaalsContact O-N 3.12Å; R25-T116 PolarHBondContact NH1-OG1 2.77Å; R25-T116 VanDerWaalsContact NH1-OG1 3.11Å; R25-I117 PolarHBondContact NH1-O 3.26Å; R25-I117 PolarHBondContact NH2-O 3.5Å; R25-D122 IonicContact CZ-OD1 3.87Å; R25-D122 IonicContact CZ-OD2 3.43Å; R25-D122 VanDerWaalsContact NE-CG 3.31Å; R25-D122 IonicContact NE-OD1 3.45Å; R25-D122 PolarHBondContact NE-OD1 2.87Å; R25-D122 IonicContact NE-OD2 2.67Å; R25-D122 PolarHBondContact NE-OD2 2.86Å; R25-D122 IonicContact NH2-OD1 3.09Å; R25-D122 PolarHBondContact NH2-OD1 3.21Å; R25-D122 IonicContact NH2-OD2 3.44Å; R25-D122 PolarHBondContact NH2-OD2 3.14Å
26V97.8Very high97.2Very high0 Ų029.3 Ų29.30%014%0.141CC..G310 helixtrans-11915.3-175.4-57.10000112.3V22 K23 P24 S28 Y29 I33 T116 I118 D122 L123V22-V26 HydrophobicContact CG1-CG2 3.84Å; K23-V26 PolarHBondContact O-N 2.85Å; K23-V26 VanDerWaalsContact O-N 3.13Å; P24-V26 PolarHBondContact O-N 3.21Å; V26-S28 VanDerWaalsContact C-N 3.26Å; V26-S28 PolarHBondContact O-N 2.95Å; V26-Y29 HydrophobicContact CB-CD2 4.2Å; V26-Y29 WeakPolarHBondContact O-CB 3.29Å; V26-Y29 PolarHBondContact O-N 3.46Å; V26-I33 HydrophobicContact CG2-CD1 4.29Å; V26-T116 HydrophobicContact CG1-CG2 4.32Å; V26-I118 HydrophobicContact CG1-CG1 4.23Å; V26-I118 HydrophobicContact CG2-CD1 4.24Å; V26-D122 HydrophobicContact CB-CB 4.44Å; V26-D122 HydrophobicContact CG1-CB 3.91Å; V26-D122 HydrophobicContact CG2-CB 3.65Å; V26-L123 HydrophobicContact CG2-CD2 4.44Å
27S97.7Very high97.5Very high20 Ų2028.3 Ų28.314%0.1414%0.136CC..G310 helixtrans-64-29.5-17963.10000112.8K23 P24 Y29 V30 Y83K23-S27 PolarHBondContact O-N 3.37Å; K23-S27 VanDerWaalsContact O-N 3.16Å; P24-S27 PolarHBondContact O-N 3.29Å; P24-S27 PolarHBondContact O-OG 3.28Å; P24-S27 VanDerWaalsContact O-OG 3.05Å; S27-Y29 PolarHBondContact O-N 2.96Å; S27-V30 WeakPolarHBondContact O-CB 3.32Å; S27-V30 WeakPolarHBondContact O-CG1 3.34Å; S27-V30 PolarHBondContact O-N 3.03Å; S27-Y83 WeakPolarHBondContact O-CE2 3.31Å
28S97.4Very high97.6Very high65 Ų6534.2 Ų34.246%0.45516%0.158SC..G310 helixtrans-69.9-8.6172.858.30000114.1V26 N110V26-S28 VanDerWaalsContact C-N 3.26Å; V26-S28 PolarHBondContact O-N 2.95Å; S28-N110 WeakPolarHBondContact O-CB 3.2Å
29Y98.1Very high97.6Very high17 Ų1737.7 Ų37.77%0.06718%0.182CC..G310 helixtrans-104.313177.4-56.8-100000112.3V26 S27 D31 R32 I33 I108 N110 E114 T116V26-Y29 HydrophobicContact CB-CD2 4.2Å; V26-Y29 WeakPolarHBondContact O-CB 3.29Å; V26-Y29 PolarHBondContact O-N 3.46Å; S27-Y29 PolarHBondContact O-N 2.96Å; Y29-D31 VanDerWaalsContact C-N 3.26Å; Y29-D31 PolarHBondContact O-N 3.05Å; Y29-R32 PolarHBondContact O-N 3.48Å; Y29-R32 VanDerWaalsContact O-N 3.14Å; Y29-I33 PolarHBondContact O-N 2.87Å; Y29-I108 HydrophobicContact CD1-CB 4.36Å; Y29-I108 HydrophobicContact CD1-CD1 3.82Å; Y29-I108 HydrophobicContact CD1-CG1 3.64Å; Y29-I108 HydrophobicContact CE1-CG1 4.17Å; Y29-I108 WeakPolarHBondContact CE1-O 3.47Å; Y29-I108 HydrophobicContact CG-CD1 3.71Å; Y29-I108 HydrophobicContact CG-CG1 4.07Å; Y29-N110 HydrophobicContact CD1-CB 3.87Å; Y29-N110 HydrophobicContact CE1-CB 3.99Å; Y29-N110 HydrophobicContact CG-CB 4.34Å; Y29-E114 VanDerWaalsContact CE1-O 3.3Å; Y29-E114 WeakPolarHBondContact CE1-O 3.44Å; Y29-T116 HydrophobicContact CD1-CG2 4.21Å; Y29-T116 HydrophobicContact CD2-CG2 4.03Å; Y29-T116 HydrophobicContact CE1-CG2 3.72Å; Y29-T116 HydrophobicContact CE2-CG2 3.55Å; Y29-T116 HydrophobicContact CG-CG2 4.35Å; Y29-T116 WeakPolarHBondContact OH-CB 3.48Å
30V98.1Very high97.3Very high6 Ų641.2 Ų41.24%0.03620%0.199CC..Hα-helixtrans-53.9-40.4-175.366.70000112.8S27 R32 I33 E34 Y83 F85S27-V30 WeakPolarHBondContact O-CB 3.32Å; S27-V30 WeakPolarHBondContact O-CG1 3.34Å; S27-V30 PolarHBondContact O-N 3.03Å; V30-R32 VanDerWaalsContact C-N 3.31Å; V30-R32 PolarHBondContact O-N 3.32Å; V30-I33 PolarHBondContact O-N 3.43Å; V30-I33 VanDerWaalsContact O-N 3.11Å; V30-E34 HydrophobicContact CG2-CG 4.18Å; V30-E34 WeakPolarHBondContact O-CG 3.42Å; V30-E34 PolarHBondContact O-N 3.44Å; V30-Y83 HydrophobicContact CB-CD2 3.71Å; V30-Y83 HydrophobicContact CB-CE2 3.9Å; V30-Y83 HydrophobicContact CB-CG 4.26Å; V30-Y83 HydrophobicContact CG1-CD2 4Å; V30-Y83 HydrophobicContact CG1-CE2 3.65Å; V30-Y83 HydrophobicContact CG2-CD1 4.22Å; V30-Y83 HydrophobicContact CG2-CD2 3.66Å; V30-Y83 HydrophobicContact CG2-CE2 4.17Å; V30-Y83 HydrophobicContact CG2-CG 3.68Å; V30-F85 HydrophobicContact CG2-CE1 4.44Å; V30-F85 HydrophobicContact CG2-CE2 4.39Å; V30-F85 HydrophobicContact CG2-CZ 3.56Å
31D97.6Very high97Very high88 Ų8847.2 Ų47.247%0.47123%0.231SC..Hα-helixtrans-60.6-42.8-178-63.3-26000111.3Y29 I33 E34 E35Y29-D31 VanDerWaalsContact C-N 3.26Å; Y29-D31 PolarHBondContact O-N 3.05Å; D31-I33 VanDerWaalsContact C-N 3.34Å; D31-I33 PolarHBondContact O-N 2.71Å; D31-E34 PolarHBondContact O-N 3.47Å; D31-E35 WeakPolarHBondContact O-CG 3.3Å; D31-E35 PolarHBondContact O-N 3.14Å
32R96.8Very high96.8Very high110 Ų11047.5 Ų47.542%0.41523%0.232SC..Hα-helixtrans-66.7-36177.1-178.160.5-169.7143.49.5112.3Y29 V30 E35 E36 I108Y29-R32 PolarHBondContact O-N 3.48Å; Y29-R32 VanDerWaalsContact O-N 3.14Å; V30-R32 VanDerWaalsContact C-N 3.31Å; V30-R32 PolarHBondContact O-N 3.32Å; R32-E35 WeakPolarHBondContact CD-OE2 3.35Å; R32-E35 IonicContact CZ-OE2 3.75Å; R32-E35 IonicContact NH1-OE2 2.82Å; R32-E35 PolarHBondContact NH1-OE2 3.5Å; R32-E35 WeakPolarHBondContact O-CB 3.28Å; R32-E35 PolarHBondContact O-N 2.67Å; R32-E36 PolarHBondContact O-N 3.37Å; R32-I108 HydrophobicContact CG-CB 4.41Å
33I97.9Very high96.7Very high2 Ų249.9 Ų49.91%0.0125%0.252CS..Hα-helixtrans-70.7-39.2176.8-64.9160.7000110.5V22 V26 Y29 V30 D31 E35 E36 I37 W96 I118 L123V22-I33 HydrophobicContact CB-CD1 4.42Å; V22-I33 HydrophobicContact CG1-CD1 3.54Å; V22-I33 HydrophobicContact CG2-CB 4.44Å; V22-I33 HydrophobicContact CG2-CD1 3.98Å; V22-I33 HydrophobicContact CG2-CG2 3.94Å; V26-I33 HydrophobicContact CG2-CD1 4.29Å; Y29-I33 PolarHBondContact O-N 2.87Å; V30-I33 PolarHBondContact O-N 3.43Å; V30-I33 VanDerWaalsContact O-N 3.11Å; D31-I33 VanDerWaalsContact C-N 3.34Å; D31-I33 PolarHBondContact O-N 2.71Å; I33-E35 VanDerWaalsContact C-N 3.32Å; I33-E35 PolarHBondContact O-N 2.93Å; I33-E36 PolarHBondContact O-N 3Å; I33-I37 HydrophobicContact CG2-CD1 4.04Å; I33-I37 WeakPolarHBondContact O-CG1 3.42Å; I33-I37 PolarHBondContact O-N 3.17Å; I33-W96 HydrophobicContact CG2-CH2 4.1Å; I33-W96 HydrophobicContact CG2-CZ3 4.43Å; I33-I118 HydrophobicContact CD1-CD1 4.2Å; I33-L123 HydrophobicContact CD1-CD2 3.99Å
34E97.9Very high96.6Very high11 Ų1151.8 Ų51.85%0.05126%0.262CS..Hα-helixtrans-65.6-34.7174.9-67.9-174.5176.500112.4V30 D31 E36 I37 R38 I44 K47 F85V30-E34 HydrophobicContact CG2-CG 4.18Å; V30-E34 WeakPolarHBondContact O-CG 3.42Å; V30-E34 PolarHBondContact O-N 3.44Å; D31-E34 PolarHBondContact O-N 3.47Å; E34-E36 VanDerWaalsContact C-N 3.34Å; E34-I37 PolarHBondContact O-N 3.05Å; E34-R38 VanDerWaalsContact CB-NH1 3.3Å; E34-R38 WeakPolarHBondContact O-CB 3.34Å; E34-R38 VanDerWaalsContact O-CG 3.29Å; E34-R38 WeakPolarHBondContact O-CG 3.2Å; E34-R38 PolarHBondContact O-N 2.97Å; E34-R38 IonicContact OE2-CZ 3.35Å; E34-R38 IonicContact OE2-NH1 3.81Å; E34-R38 PolarHBondContact OE2-NH1 3.43Å; E34-R38 IonicContact OE2-NH2 2.82Å; E34-R38 PolarHBondContact OE2-NH2 3.22Å; E34-I44 HydrophobicContact CB-CD1 3.97Å; E34-I44 HydrophobicContact CG-CD1 3.71Å; E34-K47 WeakPolarHBondContact OE1-CD 3.42Å; E34-K47 WeakPolarHBondContact OE1-CE 3.44Å; E34-K47 IonicContact OE1-NZ 3.42Å; E34-K47 PolarHBondContact OE1-NZ 2.87Å; E34-K47 IonicContact OE2-NZ 3.66Å; E34-F85 HydrophobicContact CG-CE1 4.35Å; E34-F85 HydrophobicContact CG-CE2 4.36Å; E34-F85 HydrophobicContact CG-CZ 3.79Å; E34-F85 WeakPolarHBondContact OE1-CE1 3.43Å; E34-F85 WeakPolarHBondContact OE1-CZ 3.43Å
35E96.1Very high96.5Very high101 Ų10154.3 Ų54.347%0.47228%0.277SS..Hα-helixtrans-59.7-44.5170.5-73.8172.9-177.700111.8D31 R32 I33 I37 R38 S39D31-E35 WeakPolarHBondContact O-CG 3.3Å; D31-E35 PolarHBondContact O-N 3.14Å; R32-E35 WeakPolarHBondContact CD-OE2 3.35Å; R32-E35 IonicContact CZ-OE2 3.75Å; R32-E35 IonicContact NH1-OE2 2.82Å; R32-E35 PolarHBondContact NH1-OE2 3.5Å; R32-E35 WeakPolarHBondContact O-CB 3.28Å; R32-E35 PolarHBondContact O-N 2.67Å; I33-E35 VanDerWaalsContact C-N 3.32Å; I33-E35 PolarHBondContact O-N 2.93Å; E35-I37 VanDerWaalsContact C-N 3.34Å; E35-I37 PolarHBondContact O-N 3.43Å; E35-R38 PolarHBondContact O-N 2.83Å; E35-S39 PolarHBondContact O-N 3.48Å
36E96.5Very high96.5Very high37 Ų3753.6 Ų53.617%0.17328%0.278CS..Hα-helixtrans-66.3-36.2177.4-169.557.4-140.300111.9R32 I33 E34 S39 Q40 I99 L103R32-E36 PolarHBondContact O-N 3.37Å; I33-E36 PolarHBondContact O-N 3Å; E34-E36 VanDerWaalsContact C-N 3.34Å; E36-S39 PolarHBondContact O-OG 3.39Å; E36-Q40 WeakPolarHBondContact O-CG 3.18Å; E36-Q40 PolarHBondContact OE1-NE2 2.82Å; E36-I99 HydrophobicContact CB-CG2 4.32Å; E36-I99 HydrophobicContact CG-CB 4.47Å; E36-I99 HydrophobicContact CG-CG1 4.25Å; E36-I99 HydrophobicContact CG-CG2 3.53Å; E36-L103 HydrophobicContact CG-CD1 4.43Å
37I97.5Very high96.5Very high0 Ų058.1 Ų58.10%030%0.298CS..Hα-helixtrans-63.4-48.4173.7-69.1163.1000110.6I33 E34 E35 S39 Q40 I42 I44 F85 L87 W96 I99I33-I37 HydrophobicContact CG2-CD1 4.04Å; I33-I37 WeakPolarHBondContact O-CG1 3.42Å; I33-I37 PolarHBondContact O-N 3.17Å; E34-I37 PolarHBondContact O-N 3.05Å; E35-I37 VanDerWaalsContact C-N 3.34Å; E35-I37 PolarHBondContact O-N 3.43Å; I37-S39 VanDerWaalsContact C-N 3.29Å; I37-S39 PolarHBondContact O-N 2.93Å; I37-Q40 PolarHBondContact O-N 3.41Å; I37-I42 HydrophobicContact CG2-CB 4.06Å; I37-I42 HydrophobicContact CG2-CG2 4.09Å; I37-I44 HydrophobicContact CD1-CD1 4.47Å; I37-I44 HydrophobicContact CG2-CD1 4.19Å; I37-I44 HydrophobicContact CG2-CG1 3.85Å; I37-F85 HydrophobicContact CD1-CD2 4.13Å; I37-F85 HydrophobicContact CD1-CE2 4.18Å; I37-L87 HydrophobicContact CD1-CD2 4.26Å; I37-L87 HydrophobicContact CG2-CD1 4.4Å; I37-L87 HydrophobicContact CG2-CD2 3.76Å; I37-W96 HydrophobicContact CD1-CE3 4.46Å; I37-W96 HydrophobicContact CD1-CH2 4.36Å; I37-W96 HydrophobicContact CD1-CZ3 3.95Å; I37-W96 HydrophobicContact CG1-CE3 4.03Å; I37-W96 HydrophobicContact CG1-CZ3 3.7Å; I37-I99 HydrophobicContact CG1-CD1 4.37Å
38R95.4Very high96.5Very high136 Ų13661.1 Ų61.151%0.51331%0.308SS..Hα-helixtrans-68-27.3-177.7-69.9179-166.1108.74.2112.7E34 E35 Q40E34-R38 VanDerWaalsContact CB-NH1 3.3Å; E34-R38 WeakPolarHBondContact O-CB 3.34Å; E34-R38 VanDerWaalsContact O-CG 3.29Å; E34-R38 WeakPolarHBondContact O-CG 3.2Å; E34-R38 PolarHBondContact O-N 2.97Å; E34-R38 IonicContact OE2-CZ 3.35Å; E34-R38 IonicContact OE2-NH1 3.81Å; E34-R38 PolarHBondContact OE2-NH1 3.43Å; E34-R38 IonicContact OE2-NH2 2.82Å; E34-R38 PolarHBondContact OE2-NH2 3.22Å; E35-R38 PolarHBondContact O-N 2.83Å; R38-Q40 PolarHBondContact O-N 3.02Å
39S95.5Very high96.6Very high72 Ų7263.8 Ų63.850%0.50331%0.309SS..Hα-helixtrans-67.5-19.8177.380.60000113.2E35 E36 I37E35-S39 PolarHBondContact O-N 3.48Å; E36-S39 PolarHBondContact O-OG 3.39Å; I37-S39 VanDerWaalsContact C-N 3.29Å; I37-S39 PolarHBondContact O-N 2.93Å
40Q93.8Very high96.6Very high74 Ų7463.9 Ų63.935%0.34631%0.312SS..THydrogen-bonded Turntrans-98.616.6-175.8-61.1-62.2-30.900114.3E36 I37 R38 I42 K95 I99E36-Q40 WeakPolarHBondContact O-CG 3.18Å; E36-Q40 PolarHBondContact OE1-NE2 2.82Å; I37-Q40 PolarHBondContact O-N 3.41Å; R38-Q40 PolarHBondContact O-N 3.02Å; Q40-I42 VanDerWaalsContact C-N 3.3Å; Q40-I42 HydrophobicContact CB-CD1 4.11Å; Q40-I42 HydrophobicContact CB-CG1 4.14Å; Q40-I42 PolarHBondContact O-N 2.91Å; Q40-K95 WeakPolarHBondContact O-CD 3.36Å; Q40-K95 WeakPolarHBondContact O-CE 3.31Å; Q40-K95 PolarHBondContact O-NZ 3.2Å; Q40-I99 HydrophobicContact CB-CD1 4.09Å; Q40-I99 HydrophobicContact CG-CD1 3.68Å; Q40-I99 HydrophobicContact CG-CG1 3.75Å
41D90.9Very high96.6Very high126 Ų12668.4 Ų68.467%0.67433%0.333SS*.THydrogen-bonded Turntrans54.848.4-176.2-173.545.7000111.3K95D41-K95 PolarHBondContact O-NZ 3.28Å; D41-K95 IonicContact OD2-NZ 3.96Å
42I95.1Very high96.6Very high7 Ų764.7 Ų64.74%0.03631%0.313CS..  trans-121.1127.9173.1-53.7176000107.5I37 Q40 L87 A92 K95 I99I37-I42 HydrophobicContact CG2-CB 4.06Å; I37-I42 HydrophobicContact CG2-CG2 4.09Å; Q40-I42 VanDerWaalsContact C-N 3.3Å; Q40-I42 HydrophobicContact CB-CD1 4.11Å; Q40-I42 HydrophobicContact CB-CG1 4.14Å; Q40-I42 PolarHBondContact O-N 2.91Å; I42-L87 HydrophobicContact CG2-CB 3.68Å; I42-L87 HydrophobicContact CG2-CD1 4.25Å; I42-L87 HydrophobicContact CG2-CD2 4.31Å; I42-L87 HydrophobicContact CG2-CG 4.3Å; I42-A92 HydrophobicContact CG2-CB 4.46Å; I42-K95 HydrophobicContact CD1-CB 3.54Å; I42-K95 HydrophobicContact CD1-CD 4.11Å; I42-K95 HydrophobicContact CG1-CB 4.21Å; I42-K95 HydrophobicContact CG1-CD 3.82Å; I42-I99 HydrophobicContact CD1-CD1 3.98Å
43A95.8Very high96.6Very high50 Ų5063 Ų6341%0.41332%0.315SS..EExtended strand (participates in β ladder)trans-87.6136.2174.900000110.9T45 L87 N88A43-T45 HydrophobicContact CB-CG2 4.42Å; A43-T45 PolarHBondContact O-N 3Å; A43-L87 CarbonylContact O-C 3.52Å; A43-L87 WeakPolarHBondContact O-CA 3.3Å; A43-N88 PolarHBondContact N-O 3.28Å; A43-N88 PolarHBondContact O-N 2.94Å
44I97.7Very high96.6Very high40 Ų4068.9 Ų68.921%0.20534%0.342CS..EExtended strand (participates in β ladder)trans-87.2104165.1-59.9171.7000106.6E34 I37 K47 F85 L87E34-I44 HydrophobicContact CB-CD1 3.97Å; E34-I44 HydrophobicContact CG-CD1 3.71Å; I37-I44 HydrophobicContact CD1-CD1 4.47Å; I37-I44 HydrophobicContact CG2-CD1 4.19Å; I37-I44 HydrophobicContact CG2-CG1 3.85Å; I44-K47 HydrophobicContact CG2-CB 4.42Å; I44-F85 HydrophobicContact CG2-CB 4.23Å; I44-F85 HydrophobicContact CG2-CD1 3.9Å; I44-F85 HydrophobicContact CG2-CG 4.3Å; I44-L87 HydrophobicContact CG1-CD2 3.79Å
45T95.8Very high96.6Very high68 Ų6874.1 Ų74.142%0.41737%0.37SS..EExtended strand (participates in β ladder)trans-87.7-30.5-176.755.60000112.6A43 I86 N88A43-T45 HydrophobicContact CB-CG2 4.42Å; A43-T45 PolarHBondContact O-N 3Å; T45-I86 PolarHBondContact N-O 2.87Å; T45-I86 WeakPolarHBondContact OG1-CB 3.43Å; T45-I86 WeakPolarHBondContact OG1-CG2 3.38Å; T45-I86 PolarHBondContact OG1-O 2.84Å; T45-N88 HydrophobicContact CG2-CB 3.5Å
46E97.8Very high96.8Very high96 Ų9673.1 Ų73.145%0.44937%0.365SS..EExtended strand (participates in β ladder)trans-136.8143.9175.6-66.6-65.6162.800109.3F85 I86 F140E46-F85 VanDerWaalsContact O-CA 3.28Å; E46-F85 WeakPolarHBondContact O-CA 3.39Å; E46-I86 HydrophobicContact CB-CB 3.98Å; E46-I86 HydrophobicContact CB-CD1 3.86Å; E46-I86 HydrophobicContact CB-CG1 3.85Å; E46-I86 HydrophobicContact CG-CB 4.43Å; E46-I86 HydrophobicContact CG-CD1 3.72Å; E46-I86 HydrophobicContact CG-CG1 4.27Å; E46-I86 PolarHBondContact O-N 3.43Å; E46-F140 HydrophobicContact CB-CD1 4.14Å; E46-F140 HydrophobicContact CB-CE1 3.79Å; E46-F140 HydrophobicContact CB-CZ 4.14Å; E46-F140 HydrophobicContact CG-CD1 4.49Å
47K98.1Very high96.8Very high95 Ų9571.3 Ų71.341%0.41336%0.357SS..EExtended strand (participates in β ladder)trans-134.3130.2175.7172.7172-175.5172.90109.5E34 I44 Y83 V84 F85E34-K47 WeakPolarHBondContact OE1-CD 3.42Å; E34-K47 WeakPolarHBondContact OE1-CE 3.44Å; E34-K47 IonicContact OE1-NZ 3.42Å; E34-K47 PolarHBondContact OE1-NZ 2.87Å; E34-K47 IonicContact OE2-NZ 3.66Å; I44-K47 HydrophobicContact CG2-CB 4.42Å; K47-Y83 VanDerWaalsContact CE-CD1 3.43Å; K47-Y83 HydrophobicContact CG-CD1 4.48Å; K47-V84 WeakPolarHBondContact CA-O 3.5Å; K47-F85 HydrophobicContact CB-CD1 3.98Å; K47-F85 HydrophobicContact CB-CE1 4.19Å; K47-F85 HydrophobicContact CD-CD1 4.43Å; K47-F85 HydrophobicContact CD-CE1 3.78Å; K47-F85 HydrophobicContact CG-CD1 3.92Å; K47-F85 HydrophobicContact CG-CE1 3.66Å
48K97.9Very high96.9Very high82 Ų8272.9 Ų72.936%0.35737%0.368SS..EExtended strand (participates in β ladder)trans-132.5130.5177.6-174.1176.1-173.9178.80110C50 Y83 V84 F139 F140K48-C50 HydrophobicContact CG-CB 4.28Å; K48-Y83 CarbonylContact O-C 3.57Å; K48-Y83 WeakPolarHBondContact O-CA 3.48Å; K48-V84 HydrophobicContact CB-CB 4.48Å; K48-V84 PolarHBondContact N-O 3.15Å; K48-V84 PolarHBondContact O-N 3.24Å; K48-F139 PolarHBondContact NZ-O 3.47Å; K48-F140 HydrophobicContact CB-CE1 3.64Å; K48-F140 HydrophobicContact CB-CZ 3.64Å; K48-F140 HydrophobicContact CD-CE1 4.14Å; K48-F140 HydrophobicContact CD-CZ 4.4Å
49Y98.4Very high97Very high121 Ų12170.6 Ų70.648%0.47537%0.366SS..EExtended strand (participates in β ladder)trans-99.4123.1166.5-176.9-106.6000107.9D81 S82 Y83Y49-D81 HydrophobicContact CD2-CB 4.34Å; Y49-D81 HydrophobicContact CE1-CB 3.71Å; Y49-D81 VanDerWaalsContact CE1-OD2 3.23Å; Y49-D81 WeakPolarHBondContact CE1-OD2 3.28Å; Y49-D81 HydrophobicContact CE2-CB 3.54Å; Y49-D81 WeakPolarHBondContact OH-CB 3.32Å; Y49-D81 VanDerWaalsContact OH-CG 3.32Å; Y49-D81 PolarHBondContact OH-OD2 2.94Å; Y49-S82 WeakPolarHBondContact CA-O 3.36Å; Y49-Y83 AromaticContact CD2-CD1 3.8Å; Y49-Y83 HydrophobicContact CD2-CD1 3.8Å; Y49-Y83 AromaticContact CD2-CD2 3.92Å; Y49-Y83 HydrophobicContact CD2-CD2 3.92Å; Y49-Y83 AromaticContact CD2-CE1 3.44Å; Y49-Y83 HydrophobicContact CD2-CE1 3.44Å; Y49-Y83 VanDerWaalsContact CD2-CE1 3.44Å; Y49-Y83 AromaticContact CD2-CE2 3.57Å; Y49-Y83 HydrophobicContact CD2-CE2 3.57Å; Y49-Y83 HydrophobicContact CD2-CG 4.03Å; Y49-Y83 AromaticContact CD2-CZ 3.32Å; Y49-Y83 HydrophobicContact CE2-CD2 4.26Å; Y49-Y83 HydrophobicContact CE2-CE1 4.31Å; Y49-Y83 AromaticContact CE2-CE2 3.69Å; Y49-Y83 HydrophobicContact CE2-CE2 3.69Å; Y49-Y83 AromaticContact CE2-CZ 3.73Å; Y49-Y83 HydrophobicContact CG-CD1 4.42Å; Y49-Y83 HydrophobicContact CG-CE1 4.01Å
50C97.6Very high97.1Very high19 Ų1967.8 Ų67.813%0.12835%0.345CS..EExtended strand (participates in β ladder)trans-151.1149.8-176.461.10000113.9K48 S82K48-C50 HydrophobicContact CG-CB 4.28Å; C50-S82 PolarHBondContact N-O 2.83Å; C50-S82 PolarHBondContact O-N 3.48Å
51H98.1Very high97.2Very high102 Ų10264.6 Ų64.647%0.47233%0.329SS..  trans-94.7134.7164.3-162.768.6000109.9S78 S80 D81H51-S78 PolarHBondContact CE1-O 3.35Å; H51-S80 PolarHBondContact ND1-O 3.4Å; H51-D81 WeakPolarHBondContact CB-OD1 3.34Å; H51-D81 IonicContact CG-OD1 2.81Å; H51-D81 IonicContact ND1-OD1 3.83Å; H51-D81 PolarHBondContact ND1-OD1 2.8Å; H51-D81 VanDerWaalsContact ND1-OD1 3.09Å
52L97.7Very high97.4Very high10 Ų1063.2 Ų63.25%0.05232%0.321CS..  trans-113.8135.3175.6-66.1170.3000110.2Q56 C57 L77 S78 F138 F139L52-Q56 HydrophobicContact CB-CB 4.33Å; L52-Q56 HydrophobicContact CD2-CB 4.08Å; L52-C57 WeakPolarHBondContact CB-SG 3.32Å; L52-L77 HydrophobicContact CD1-CD1 4.21Å; L52-L77 HydrophobicContact CD1-CD2 3.69Å; L52-L77 HydrophobicContact CD1-CG 3.8Å; L52-S78 WeakPolarHBondContact O-CA 3.31Å; L52-S78 WeakPolarHBondContact O-CB 3.35Å; L52-F138 HydrophobicContact CD2-CE1 4.49Å; L52-F139 HydrophobicContact CD1-CE1 3.71Å; L52-F139 HydrophobicContact CD1-CZ 3.72Å; L52-F139 HydrophobicContact CD2-CE1 3.91Å; L52-F139 HydrophobicContact CG-CE1 4.25Å
53T98.2Very high97.3Very high74 Ų7466.9 Ų66.945%0.45434%0.341SS..  trans-68.1156.3169.3610000110.9L55 Q56 C57T53-L55 PolarHBondContact O-N 3.44Å; T53-L55 VanDerWaalsContact O-N 3.16Å; T53-Q56 PolarHBondContact O-N 3.09Å; T53-Q56 VanDerWaalsContact OG1-CG 3.31Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.44Å; T53-Q56 PolarHBondContact OG1-N 2.74Å; T53-Q56 PolarHBondContact OG1-OE1 2.91Å; T53-C57 PolarHBondContact O-N 3.49Å; T53-C57 PolarHBondContact O-SG 3.42Å
54E97.8Very high97.1Very high126 Ų12666.6 Ų66.659%0.58933%0.332SS*.Hα-helixtrans-53.6-35.9173.7-71.6-178-173.200112.8C57 S58 V74E54-C57 PolarHBondContact O-N 3.3Å; E54-S58 VanDerWaalsContact O-CB 3.29Å; E54-S58 WeakPolarHBondContact O-CB 3.35Å; E54-S58 PolarHBondContact O-N 3.04Å; E54-S58 PolarHBondContact O-OG 3.39Å; E54-V74 HydrophobicContact CB-CG1 4.42Å
55L98Very high96.9Very high120 Ų12067.3 Ų67.363%0.62834%0.344SS*.Hα-helixtrans-65.7-44176179.760.9000111.8T53 S58 N59T53-L55 PolarHBondContact O-N 3.44Å; T53-L55 VanDerWaalsContact O-N 3.16Å; L55-S58 PolarHBondContact O-N 2.71Å; L55-N59 VanDerWaalsContact O-CG 3.3Å; L55-N59 PolarHBondContact O-N 2.84Å; L55-N59 PolarHBondContact O-ND2 3.28Å
56Q98.3Very high96.9Very high80 Ų8068.2 Ų68.237%0.37437%0.367SS..Hα-helixtrans-64-43.1175.4-73.5165.9-51.700111.2L52 T53 S58 N59 F60 F138L52-Q56 HydrophobicContact CB-CB 4.33Å; L52-Q56 HydrophobicContact CD2-CB 4.08Å; T53-Q56 PolarHBondContact O-N 3.09Å; T53-Q56 VanDerWaalsContact OG1-CG 3.31Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.44Å; T53-Q56 PolarHBondContact OG1-N 2.74Å; T53-Q56 PolarHBondContact OG1-OE1 2.91Å; Q56-S58 VanDerWaalsContact C-N 3.35Å; Q56-S58 PolarHBondContact O-N 2.67Å; Q56-N59 PolarHBondContact O-N 3.3Å; Q56-F60 WeakPolarHBondContact O-CB 3.32Å; Q56-F60 PolarHBondContact O-N 2.77Å; Q56-F138 HydrophobicContact CB-CZ 4.26Å; Q56-F138 WeakPolarHBondContact O-CZ 3.4Å
57C98.3Very high96.9Very high0 Ų066.7 Ų66.70%036%0.364CS..Hα-helixtrans-62.8-40.2175.6-68.40000112.4L52 T53 E54 F60 Y61 V74 L77L52-C57 WeakPolarHBondContact CB-SG 3.32Å; T53-C57 PolarHBondContact O-N 3.49Å; T53-C57 PolarHBondContact O-SG 3.42Å; E54-C57 PolarHBondContact O-N 3.3Å; C57-F60 PolarHBondContact O-N 2.62Å; C57-Y61 WeakPolarHBondContact O-CD2 3.22Å; C57-Y61 PolarHBondContact O-N 3.05Å; C57-V74 HydrophobicContact CB-CB 4.37Å; C57-V74 HydrophobicContact CB-CG1 3.91Å; C57-V74 HydrophobicContact CB-CG2 4.49Å; C57-L77 HydrophobicContact CB-CD2 4.45Å; C57-L77 VanDerWaalsContact SG-CG 3.59Å
58S97.9Very high96.7Very high32 Ų3268 Ų6822%0.22439%0.385CS..Hα-helixtrans-63.1-43.9176.4-630000111.6E54 L55 Q56 F60 Y61 I62E54-S58 VanDerWaalsContact O-CB 3.29Å; E54-S58 WeakPolarHBondContact O-CB 3.35Å; E54-S58 PolarHBondContact O-N 3.04Å; E54-S58 PolarHBondContact O-OG 3.39Å; L55-S58 PolarHBondContact O-N 2.71Å; Q56-S58 VanDerWaalsContact C-N 3.35Å; Q56-S58 PolarHBondContact O-N 2.67Å; S58-F60 VanDerWaalsContact C-N 3.35Å; S58-Y61 CarbonylContact O-C 3.58Å; S58-Y61 PolarHBondContact O-N 2.8Å; S58-I62 PolarHBondContact O-N 3.33Å
59N97.7Very high96.6Very high89 Ų8966.1 Ų66.148%0.47638%0.381SS..Hα-helixtrans-65.5-38.4175.1-71.3-16.1000111.9L55 Q56 I62 F138L55-N59 VanDerWaalsContact O-CG 3.3Å; L55-N59 PolarHBondContact O-N 2.84Å; L55-N59 PolarHBondContact O-ND2 3.28Å; Q56-N59 PolarHBondContact O-N 3.3Å; N59-I62 WeakPolarHBondContact O-CB 3.21Å; N59-I62 WeakPolarHBondContact O-CG2 3.25Å; N59-I62 PolarHBondContact O-N 3.37Å; N59-F138 HydrophobicContact CB-CE2 4.29Å
60F97.7Very high96.5Very high13 Ų1361.9 Ų61.96%0.05737%0.365CS..Hα-helixtrans-64.1-45.2176.8177.7-106.3000112.1L19 I21 Q56 C57 S58 I62 L77 H124 E135 F138 F139L19-F60 HydrophobicContact CD2-CE2 3.88Å; L19-F60 HydrophobicContact CD2-CZ 3.94Å; I21-F60 HydrophobicContact CD1-CE1 3.68Å; I21-F60 HydrophobicContact CD1-CE2 4.35Å; I21-F60 HydrophobicContact CD1-CZ 3.53Å; Q56-F60 WeakPolarHBondContact O-CB 3.32Å; Q56-F60 PolarHBondContact O-N 2.77Å; C57-F60 PolarHBondContact O-N 2.62Å; S58-F60 VanDerWaalsContact C-N 3.35Å; F60-I62 VanDerWaalsContact C-N 3.3Å; F60-I62 PolarHBondContact O-N 3.47Å; F60-L77 HydrophobicContact CD1-CD2 3.79Å; F60-L77 HydrophobicContact CE1-CD2 4.21Å; F60-H124 AromaticContact CE1-CE1 3.82Å; F60-H124 AromaticContact CE1-ND1 4Å; F60-H124 AromaticContact CZ-CD2 3.9Å; F60-H124 AromaticContact CZ-CE1 3.68Å; F60-H124 AromaticContact CZ-NE2 3.51Å; F60-E135 HydrophobicContact CD2-CG 4.47Å; F60-E135 HydrophobicContact CE2-CB 3.92Å; F60-E135 HydrophobicContact CE2-CG 3.6Å; F60-E135 HydrophobicContact CZ-CG 4.14Å; F60-F138 HydrophobicContact CB-CE1 4.17Å; F60-F138 HydrophobicContact CB-CE2 4.41Å; F60-F138 HydrophobicContact CB-CZ 4.03Å; F60-F138 HydrophobicContact CD2-CD1 4.06Å; F60-F138 HydrophobicContact CD2-CE1 4.32Å; F60-F138 HydrophobicContact CD2-CG 4.34Å; F60-F139 AromaticContact CD2-CE2 3.68Å; F60-F139 HydrophobicContact CD2-CE2 3.68Å; F60-F139 HydrophobicContact CD2-CZ 4.28Å; F60-F139 HydrophobicContact CE2-CD2 4.33Å; F60-F139 AromaticContact CE2-CE2 3.49Å; F60-F139 HydrophobicContact CE2-CE2 3.49Å; F60-F139 VanDerWaalsContact CE2-CE2 3.49Å; F60-F139 HydrophobicContact CE2-CZ 4.36Å; F60-F139 HydrophobicContact CG-CE2 4.44Å; F60-F139 HydrophobicContact CZ-CE2 4.1Å
61Y96.6Very high96.5Very high6 Ų666.4 Ų66.42%0.02439%0.388CS..THydrogen-bonded Turntrans-89.823.2179.3-69.5-59.1000114.1K23 C57 S58 D63 L64 F70 M73 V74 L77 H124K23-Y61 VanDerWaalsContact CE-OH 3.28Å; K23-Y61 WeakPolarHBondContact CE-OH 3.36Å; K23-Y61 PolarHBondContact NZ-OH 3.34Å; C57-Y61 WeakPolarHBondContact O-CD2 3.22Å; C57-Y61 PolarHBondContact O-N 3.05Å; S58-Y61 CarbonylContact O-C 3.58Å; S58-Y61 PolarHBondContact O-N 2.8Å; Y61-D63 PolarHBondContact O-N 2.81Å; Y61-D63 VanDerWaalsContact O-N 3.1Å; Y61-L64 HydrophobicContact CD1-CD1 3.84Å; Y61-L64 HydrophobicContact CG-CD1 4.31Å; Y61-L64 WeakPolarHBondContact O-CA 2.94Å; Y61-L64 WeakPolarHBondContact O-CB 3.38Å; Y61-L64 PolarHBondContact O-N 2.82Å; Y61-F70 WeakPolarHBondContact O-CD2 3.45Å; Y61-F70 VanDerWaalsContact O-CE2 3.29Å; Y61-F70 WeakPolarHBondContact O-CE2 3.1Å; Y61-M73 HydrophobicContact CD1-CB 4.43Å; Y61-M73 HydrophobicContact CD2-CB 3.88Å; Y61-M73 HydrophobicContact CE1-CB 4.37Å; Y61-M73 HydrophobicContact CE1-CE 4.12Å; Y61-M73 HydrophobicContact CE2-CB 3.79Å; Y61-M73 WeakPolarHBondContact CE2-O 3.02Å; Y61-M73 HydrophobicContact CG-CB 4.2Å; Y61-V74 HydrophobicContact CD2-CG2 4.3Å; Y61-L77 HydrophobicContact CD2-CD2 4.4Å; Y61-L77 HydrophobicContact CE2-CB 3.91Å; Y61-L77 HydrophobicContact CE2-CD2 3.55Å; Y61-L77 HydrophobicContact CE2-CG 4.37Å; Y61-H124 AromaticContact CE1-ND1 3.8Å
62I95.2Very high96.5Very high98 Ų9867.5 Ų67.550%0.50339%0.388SS..G310 helixtrans-57.3-31.3-174.4-166.764000113.4S58 N59 F60 L64 A65S58-I62 PolarHBondContact O-N 3.33Å; N59-I62 WeakPolarHBondContact O-CB 3.21Å; N59-I62 WeakPolarHBondContact O-CG2 3.25Å; N59-I62 PolarHBondContact O-N 3.37Å; F60-I62 VanDerWaalsContact C-N 3.3Å; F60-I62 PolarHBondContact O-N 3.47Å; I62-L64 PolarHBondContact O-N 3.41Å; I62-L64 VanDerWaalsContact O-N 3.14Å; I62-A65 HydrophobicContact CD1-CB 4.27Å; I62-A65 WeakPolarHBondContact O-CB 3.1Å; I62-A65 PolarHBondContact O-N 3.19Å
63D91.7Very high96.4Very high84 Ų8468.1 Ų68.145%0.44939%0.39SS..G310 helixtrans-61.6-20.7175.4-65.7-17.5000112.9Y61 K131 R134Y61-D63 PolarHBondContact O-N 2.81Å; Y61-D63 VanDerWaalsContact O-N 3.1Å; D63-K131 WeakPolarHBondContact OD2-CE 2.96Å; D63-K131 IonicContact OD2-NZ 2.64Å; D63-K131 PolarHBondContact OD2-NZ 2.75Å; D63-R134 IonicContact OD2-NH2 3.5Å; D63-R134 PolarHBondContact OD2-NH2 2.81Å
64L93.1Very high96.4Very high43 Ų4364.9 Ų64.923%0.22537%0.37CS..G310 helixtrans-93.6-0.3177.2-55.8-179.1000112.3Y61 I62 G66 T67 V69 F70 M73Y61-L64 HydrophobicContact CD1-CD1 3.84Å; Y61-L64 HydrophobicContact CG-CD1 4.31Å; Y61-L64 WeakPolarHBondContact O-CA 2.94Å; Y61-L64 WeakPolarHBondContact O-CB 3.38Å; Y61-L64 PolarHBondContact O-N 2.82Å; I62-L64 PolarHBondContact O-N 3.41Å; I62-L64 VanDerWaalsContact O-N 3.14Å; L64-G66 PolarHBondContact O-N 2.7Å; L64-T67 VanDerWaalsContact O-CB 3.29Å; L64-T67 WeakPolarHBondContact O-CB 3.1Å; L64-T67 VanDerWaalsContact O-CG2 3.27Å; L64-T67 WeakPolarHBondContact O-CG2 3.43Å; L64-T67 PolarHBondContact O-N 3.04Å; L64-T67 PolarHBondContact O-OG1 3.08Å; L64-V69 HydrophobicContact CD1-CG2 4.38Å; L64-F70 HydrophobicContact CB-CB 4.35Å; L64-F70 HydrophobicContact CB-CD2 4.01Å; L64-F70 WeakPolarHBondContact O-CB 3.3Å; L64-M73 HydrophobicContact CD1-CB 4.46Å; L64-M73 HydrophobicContact CD1-CG 4.17Å
65A93.9Very high96.4Very high55 Ų5563 Ų6346%0.45537%0.365SS..THydrogen-bonded Turntrans-55.3133.6-178.300000111.6I62 T67I62-A65 HydrophobicContact CD1-CB 4.27Å; I62-A65 WeakPolarHBondContact O-CB 3.1Å; I62-A65 PolarHBondContact O-N 3.19Å; A65-T67 VanDerWaalsContact C-N 3.27Å; A65-T67 PolarHBondContact O-N 3.21Å
66G95Very high96.4Very high87 Ų8759.6 Ų59.690%0.89735%0.346SS*.THydrogen-bonded Turntrans82.1-6.2-176.200000115.2L64L64-G66 PolarHBondContact O-N 2.7Å
67T96.9Very high96.4Very high64 Ų6455.9 Ų55.939%0.39333%0.329SS..SBendtrans-83.5159172.172.40000111.7L64 A65 V69 F70L64-T67 VanDerWaalsContact O-CB 3.29Å; L64-T67 WeakPolarHBondContact O-CB 3.1Å; L64-T67 VanDerWaalsContact O-CG2 3.27Å; L64-T67 WeakPolarHBondContact O-CG2 3.43Å; L64-T67 PolarHBondContact O-N 3.04Å; L64-T67 PolarHBondContact O-OG1 3.08Å; A65-T67 VanDerWaalsContact C-N 3.27Å; A65-T67 PolarHBondContact O-N 3.21Å; T67-V69 PolarHBondContact O-N 3.49Å; T67-V69 VanDerWaalsContact OG1-CG2 3.3Å; T67-V69 WeakPolarHBondContact OG1-CG2 3.37Å; T67-F70 PolarHBondContact O-N 3.31Å; T67-F70 PolarHBondContact OG1-N 3.43Å
68S95Very high96.4Very high122 Ų12256.5 Ų56.585%0.85333%0.333SS*.THydrogen-bonded Turntrans-67.7-15.8176.556.10000113.9
69V95.1Very high96.4Very high44 Ų4458.9 Ų58.927%0.26735%0.35SS..THydrogen-bonded Turntrans-95.3-15.5-177-62.90000113.7L64 T67 N71 R72 M73L64-V69 HydrophobicContact CD1-CG2 4.38Å; T67-V69 PolarHBondContact O-N 3.49Å; T67-V69 VanDerWaalsContact OG1-CG2 3.3Å; T67-V69 WeakPolarHBondContact OG1-CG2 3.37Å; V69-N71 PolarHBondContact O-N 2.74Å; V69-R72 WeakPolarHBondContact O-CB 3.2Å; V69-R72 PolarHBondContact O-N 3.22Å; V69-R72 VanDerWaalsContact O-N 3.17Å; V69-M73 WeakPolarHBondContact O-CG 3.45Å; V69-M73 PolarHBondContact O-N 3.31Å
70F96.9Very high96.4Very high32 Ų3257.3 Ų57.314%0.1435%0.346CS..Hα-helixtrans-53.4-57.4-174.2179.3-110.7000113.1Y61 L64 T67 R72 M73 V74Y61-F70 WeakPolarHBondContact O-CD2 3.45Å; Y61-F70 VanDerWaalsContact O-CE2 3.29Å; Y61-F70 WeakPolarHBondContact O-CE2 3.1Å; L64-F70 HydrophobicContact CB-CB 4.35Å; L64-F70 HydrophobicContact CB-CD2 4.01Å; L64-F70 WeakPolarHBondContact O-CB 3.3Å; T67-F70 PolarHBondContact O-N 3.31Å; T67-F70 PolarHBondContact OG1-N 3.43Å; F70-R72 PolarHBondContact O-N 3.04Å; F70-M73 PolarHBondContact O-N 3.23Å; F70-M73 VanDerWaalsContact O-N 3.11Å; F70-V74 HydrophobicContact CD1-CG2 4.48Å; F70-V74 HydrophobicContact CD2-CG2 4.2Å; F70-V74 HydrophobicContact CE1-CG2 4.16Å; F70-V74 HydrophobicContact CE2-CG2 3.87Å; F70-V74 HydrophobicContact CZ-CG2 3.85Å; F70-V74 WeakPolarHBondContact O-CG2 3.08Å; F70-V74 PolarHBondContact O-N 3.47Å
71N97.4Very high96.4Very high114 Ų11458.7 Ų58.761%0.6135%0.354SS*.Hα-helixtrans-60.1-37.1-178.3-67.3-17.3000111.7V69 N75V69-N71 PolarHBondContact O-N 2.74Å; N71-N75 VanDerWaalsContact O-CB 3.31Å; N71-N75 WeakPolarHBondContact O-CB 3.48Å; N71-N75 PolarHBondContact O-N 3.3Å; N71-N75 PolarHBondContact O-ND2 3.16Å; N71-N75 PolarHBondContact O-OD1 2.88Å
72R96.9Very high96.5Very high125 Ų12558.4 Ų58.447%0.47235%0.353SS..Hα-helixtrans-63-48.1176.7-175.4176.875.8-149.67.9110.8V69 F70 N75 M76 D121V69-R72 WeakPolarHBondContact O-CB 3.2Å; V69-R72 PolarHBondContact O-N 3.22Å; V69-R72 VanDerWaalsContact O-N 3.17Å; F70-R72 PolarHBondContact O-N 3.04Å; R72-N75 PolarHBondContact O-N 3.18Å; R72-M76 HydrophobicContact CG-CG 4.42Å; R72-M76 HydrophobicContact CG-SD 3.96Å; R72-M76 WeakPolarHBondContact O-CB 3.23Å; R72-M76 VanDerWaalsContact O-CG 3.23Å; R72-M76 WeakPolarHBondContact O-CG 3.23Å; R72-M76 PolarHBondContact O-N 3.36Å; R72-D121 IonicContact CZ-OD2 3.4Å; R72-D121 IonicContact NE-OD2 3.73Å; R72-D121 PolarHBondContact NE-OD2 3.45Å; R72-D121 IonicContact NH2-OD2 3.13Å; R72-D121 PolarHBondContact NH2-OD2 3.48Å
73M97.2Very high96.7Very high22 Ų2256.3 Ų56.311%0.10834%0.339CS..Hα-helixtrans-66.6-39.3-178.4-65.8-65.1-9400112.3Y61 L64 V69 F70 L77Y61-M73 HydrophobicContact CD1-CB 4.43Å; Y61-M73 HydrophobicContact CD2-CB 3.88Å; Y61-M73 HydrophobicContact CE1-CB 4.37Å; Y61-M73 HydrophobicContact CE1-CE 4.12Å; Y61-M73 HydrophobicContact CE2-CB 3.79Å; Y61-M73 WeakPolarHBondContact CE2-O 3.02Å; Y61-M73 HydrophobicContact CG-CB 4.2Å; L64-M73 HydrophobicContact CD1-CB 4.46Å; L64-M73 HydrophobicContact CD1-CG 4.17Å; V69-M73 WeakPolarHBondContact O-CG 3.45Å; V69-M73 PolarHBondContact O-N 3.31Å; F70-M73 PolarHBondContact O-N 3.23Å; F70-M73 VanDerWaalsContact O-N 3.11Å; M73-L77 WeakPolarHBondContact O-CB 3.16Å; M73-L77 PolarHBondContact O-N 3.4Å; M73-L77 VanDerWaalsContact O-N 3.08Å
74V98.1Very high97Very high6 Ų652.4 Ų52.44%0.03632%0.318CS..Hα-helixtrans-60.1-53.7173.7171.20000110.3E54 C57 Y61 F70 M76 L77 S78E54-V74 HydrophobicContact CB-CG1 4.42Å; C57-V74 HydrophobicContact CB-CB 4.37Å; C57-V74 HydrophobicContact CB-CG1 3.91Å; C57-V74 HydrophobicContact CB-CG2 4.49Å; Y61-V74 HydrophobicContact CD2-CG2 4.3Å; F70-V74 HydrophobicContact CD1-CG2 4.48Å; F70-V74 HydrophobicContact CD2-CG2 4.2Å; F70-V74 HydrophobicContact CE1-CG2 4.16Å; F70-V74 HydrophobicContact CE2-CG2 3.87Å; F70-V74 HydrophobicContact CZ-CG2 3.85Å; F70-V74 WeakPolarHBondContact O-CG2 3.08Å; F70-V74 PolarHBondContact O-N 3.47Å; V74-M76 VanDerWaalsContact C-N 3.33Å; V74-M76 PolarHBondContact O-N 3.26Å; V74-L77 PolarHBondContact O-N 3.28Å; V74-S78 PolarHBondContact O-N 2.86Å; V74-S78 PolarHBondContact O-OG 3.07Å
75N97.7Very high97.3Very high88 Ų8850.3 Ų50.347%0.47131%0.307SS..Hα-helixtrans-61.5-39.3-179-69.4-7.9000112.5N71 R72 S79N71-N75 VanDerWaalsContact O-CB 3.31Å; N71-N75 WeakPolarHBondContact O-CB 3.48Å; N71-N75 PolarHBondContact O-N 3.3Å; N71-N75 PolarHBondContact O-ND2 3.16Å; N71-N75 PolarHBondContact O-OD1 2.88Å; R72-N75 PolarHBondContact O-N 3.18Å; N75-S79 WeakPolarHBondContact O-CB 3.23Å; N75-S79 PolarHBondContact O-N 3.47Å
76M97.7Very high97.5Very high48 Ų4847.8 Ų47.824%0.23629%0.286CS..Hα-helixtrans-64.7-41.8177.2-76.11786900112.1P24 R72 V74 S79 D121P24-M76 WeakPolarHBondContact CD-O 3.04Å; P24-M76 WeakPolarHBondContact CG-O 3.5Å; R72-M76 HydrophobicContact CG-CG 4.42Å; R72-M76 HydrophobicContact CG-SD 3.96Å; R72-M76 WeakPolarHBondContact O-CB 3.23Å; R72-M76 VanDerWaalsContact O-CG 3.23Å; R72-M76 WeakPolarHBondContact O-CG 3.23Å; R72-M76 PolarHBondContact O-N 3.36Å; V74-M76 VanDerWaalsContact C-N 3.33Å; V74-M76 PolarHBondContact O-N 3.26Å; M76-S79 PolarHBondContact O-OG 3.44Å; M76-S79 VanDerWaalsContact O-OG 3.07Å; M76-D121 HydrophobicContact CE-CB 3.96Å; M76-D121 VanDerWaalsContact CE-O 3.31Å; M76-D121 WeakPolarHBondContact CE-O 3.29Å; M76-D121 HydrophobicContact SD-CB 4.43Å
77L98.1Very high97.6Very high1 Ų143.6 Ų43.61%0.00524%0.243CC..Hα-helixtrans-78.7-30.2-176.4-17662.4000112.5I21 K23 L52 C57 F60 Y61 M73 V74I21-L77 HydrophobicContact CG2-CD1 3.94Å; K23-L77 HydrophobicContact CG-CD1 4.22Å; L52-L77 HydrophobicContact CD1-CD1 4.21Å; L52-L77 HydrophobicContact CD1-CD2 3.69Å; L52-L77 HydrophobicContact CD1-CG 3.8Å; C57-L77 HydrophobicContact CB-CD2 4.45Å; C57-L77 VanDerWaalsContact SG-CG 3.59Å; F60-L77 HydrophobicContact CD1-CD2 3.79Å; F60-L77 HydrophobicContact CE1-CD2 4.21Å; Y61-L77 HydrophobicContact CD2-CD2 4.4Å; Y61-L77 HydrophobicContact CE2-CB 3.91Å; Y61-L77 HydrophobicContact CE2-CD2 3.55Å; Y61-L77 HydrophobicContact CE2-CG 4.37Å; M73-L77 WeakPolarHBondContact O-CB 3.16Å; M73-L77 PolarHBondContact O-N 3.4Å; M73-L77 VanDerWaalsContact O-N 3.08Å; V74-L77 PolarHBondContact O-N 3.28Å
78S98Very high97.5Very high14 Ų1442.4 Ų42.410%0.09823%0.234CC..Hα-helixtrans-85.9-8.2178.160.90000114.5H51 L52 V74 S80H51-S78 PolarHBondContact CE1-O 3.35Å; L52-S78 WeakPolarHBondContact O-CA 3.31Å; L52-S78 WeakPolarHBondContact O-CB 3.35Å; V74-S78 PolarHBondContact O-N 2.86Å; V74-S78 PolarHBondContact O-OG 3.07Å; S78-S80 VanDerWaalsContact C-N 3.31Å; S78-S80 PolarHBondContact O-N 2.72Å
79S97.9Very high97.3Very high81 Ų8137 Ų3757%0.56620%0.197SC*.SBendtrans-67.5-29.3-170.562.60000114.3N75 M76N75-S79 WeakPolarHBondContact O-CB 3.23Å; N75-S79 PolarHBondContact O-N 3.47Å; M76-S79 PolarHBondContact O-OG 3.44Å; M76-S79 VanDerWaalsContact O-OG 3.07Å
80S97.7Very high97Very high56 Ų5642 Ų4239%0.39221%0.211SC..SBendtrans-166.4-165.6178.6-178.30000108.4P24 H51 S78P24-S80 VanDerWaalsContact CG-O 3.23Å; P24-S80 WeakPolarHBondContact CG-O 3.17Å; H51-S80 PolarHBondContact ND1-O 3.4Å; S78-S80 VanDerWaalsContact C-N 3.31Å; S78-S80 PolarHBondContact O-N 2.72Å
81D98.5Very high96.6Very high43 Ų4343.8 Ų43.823%0.2322%0.223CC..  trans-78.5146.7-174-58.5-24.6000111.9P24 Y49 H51P24-D81 WeakPolarHBondContact CA-O 3.3Å; P24-D81 WeakPolarHBondContact CB-O 3.43Å; Y49-D81 HydrophobicContact CD2-CB 4.34Å; Y49-D81 HydrophobicContact CE1-CB 3.71Å; Y49-D81 VanDerWaalsContact CE1-OD2 3.23Å; Y49-D81 WeakPolarHBondContact CE1-OD2 3.28Å; Y49-D81 HydrophobicContact CE2-CB 3.54Å; Y49-D81 WeakPolarHBondContact OH-CB 3.32Å; Y49-D81 VanDerWaalsContact OH-CG 3.32Å; Y49-D81 PolarHBondContact OH-OD2 2.94Å; H51-D81 WeakPolarHBondContact CB-OD1 3.34Å; H51-D81 IonicContact CG-OD1 2.81Å; H51-D81 IonicContact ND1-OD1 3.83Å; H51-D81 PolarHBondContact ND1-OD1 2.8Å; H51-D81 VanDerWaalsContact ND1-OD1 3.09Å
82S98.5Very high96.4Very high0 Ų038.4 Ų38.40%019%0.194CC..EExtended strand (participates in β ladder)trans-123.3155.6177.9-60.60000111V22 P24 Y49 C50V22-S82 WeakPolarHBondContact O-CA 3.41Å; V22-S82 WeakPolarHBondContact O-CB 3.39Å; P24-S82 VanDerWaalsContact CD-OG 3.25Å; P24-S82 WeakPolarHBondContact CD-OG 3.11Å; P24-S82 WeakPolarHBondContact CG-OG 3.5Å; Y49-S82 WeakPolarHBondContact CA-O 3.36Å; C50-S82 PolarHBondContact N-O 2.83Å; C50-S82 PolarHBondContact O-N 3.48Å
83Y98.8Very high96.2Very high54 Ų5432.9 Ų32.921%0.21217%0.174CC..EExtended strand (participates in β ladder)trans-96.1134.8163.1-69.8-87.3000109.8I21 V22 S27 V30 K47 K48 Y49I21-Y83 CarbonylContact C-O 3.58Å; I21-Y83 WeakPolarHBondContact CA-O 3.46Å; V22-Y83 PolarHBondContact N-O 2.84Å; V22-Y83 PolarHBondContact O-N 3.42Å; V22-Y83 VanDerWaalsContact O-N 3.07Å; S27-Y83 WeakPolarHBondContact O-CE2 3.31Å; V30-Y83 HydrophobicContact CB-CD2 3.71Å; V30-Y83 HydrophobicContact CB-CE2 3.9Å; V30-Y83 HydrophobicContact CB-CG 4.26Å; V30-Y83 HydrophobicContact CG1-CD2 4Å; V30-Y83 HydrophobicContact CG1-CE2 3.65Å; V30-Y83 HydrophobicContact CG2-CD1 4.22Å; V30-Y83 HydrophobicContact CG2-CD2 3.66Å; V30-Y83 HydrophobicContact CG2-CE2 4.17Å; V30-Y83 HydrophobicContact CG2-CG 3.68Å; K47-Y83 VanDerWaalsContact CE-CD1 3.43Å; K47-Y83 HydrophobicContact CG-CD1 4.48Å; K48-Y83 CarbonylContact O-C 3.57Å; K48-Y83 WeakPolarHBondContact O-CA 3.48Å; Y49-Y83 AromaticContact CD2-CD1 3.8Å; Y49-Y83 HydrophobicContact CD2-CD1 3.8Å; Y49-Y83 AromaticContact CD2-CD2 3.92Å; Y49-Y83 HydrophobicContact CD2-CD2 3.92Å; Y49-Y83 AromaticContact CD2-CE1 3.44Å; Y49-Y83 HydrophobicContact CD2-CE1 3.44Å; Y49-Y83 VanDerWaalsContact CD2-CE1 3.44Å; Y49-Y83 AromaticContact CD2-CE2 3.57Å; Y49-Y83 HydrophobicContact CD2-CE2 3.57Å; Y49-Y83 HydrophobicContact CD2-CG 4.03Å; Y49-Y83 AromaticContact CD2-CZ 3.32Å; Y49-Y83 HydrophobicContact CE2-CD2 4.26Å; Y49-Y83 HydrophobicContact CE2-CE1 4.31Å; Y49-Y83 AromaticContact CE2-CE2 3.69Å; Y49-Y83 HydrophobicContact CE2-CE2 3.69Å; Y49-Y83 AromaticContact CE2-CZ 3.73Å; Y49-Y83 HydrophobicContact CG-CD1 4.42Å; Y49-Y83 HydrophobicContact CG-CE1 4.01Å
84V98.7Very high96Very high1 Ų135.6 Ų35.61%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-122.5133.2177.8-173.10000108.2L19 A20 I21 K47 K48 F139 F140L19-V84 HydrophobicContact CD1-CG1 3.54Å; L19-V84 HydrophobicContact CD2-CG1 4.29Å; L19-V84 HydrophobicContact CG-CG1 4.06Å; A20-V84 CarbonylContact O-C 3.58Å; A20-V84 WeakPolarHBondContact O-CA 3.15Å; I21-V84 HydrophobicContact CG1-CG1 4.28Å; I21-V84 HydrophobicContact CG1-CG2 4.31Å; I21-V84 HydrophobicContact CG2-CG2 4.22Å; K47-V84 WeakPolarHBondContact CA-O 3.5Å; K48-V84 HydrophobicContact CB-CB 4.48Å; K48-V84 PolarHBondContact N-O 3.15Å; K48-V84 PolarHBondContact O-N 3.24Å; V84-F139 HydrophobicContact CB-CD1 4.38Å; V84-F139 HydrophobicContact CG1-CB 4.12Å; V84-F139 HydrophobicContact CG1-CD1 4.06Å; V84-F139 HydrophobicContact CG1-CD2 4Å; V84-F139 HydrophobicContact CG1-CE1 4.48Å; V84-F139 HydrophobicContact CG1-CE2 4.43Å; V84-F139 HydrophobicContact CG1-CG 3.8Å; V84-F139 HydrophobicContact CG2-CD1 3.9Å; V84-F139 HydrophobicContact CG2-CE1 3.76Å; V84-F139 HydrophobicContact CG2-CG 4.47Å; V84-F139 HydrophobicContact CG2-CZ 4.23Å; V84-F140 HydrophobicContact CB-CE2 4.5Å; V84-F140 HydrophobicContact CB-CZ 4.46Å; V84-F140 HydrophobicContact CG1-CE2 3.79Å; V84-F140 HydrophobicContact CG1-CZ 4.22Å
85F98.6Very high95.9Very high0 Ų037.5 Ų37.50%020%0.199CC..EExtended strand (participates in β ladder)trans-122.7146.8-180-48.5-59.3000111.4A20 V22 V30 E34 I37 I44 E46 K47 L87A20-F85 HydrophobicContact CB-CB 4.26Å; A20-F85 HydrophobicContact CB-CD2 4.1Å; A20-F85 PolarHBondContact N-O 3.34Å; A20-F85 PolarHBondContact O-N 2.81Å; V22-F85 HydrophobicContact CG2-CD2 4.48Å; V22-F85 HydrophobicContact CG2-CE2 3.62Å; V22-F85 HydrophobicContact CG2-CZ 4.3Å; V30-F85 HydrophobicContact CG2-CE1 4.44Å; V30-F85 HydrophobicContact CG2-CE2 4.39Å; V30-F85 HydrophobicContact CG2-CZ 3.56Å; E34-F85 HydrophobicContact CG-CE1 4.35Å; E34-F85 HydrophobicContact CG-CE2 4.36Å; E34-F85 HydrophobicContact CG-CZ 3.79Å; E34-F85 WeakPolarHBondContact OE1-CE1 3.43Å; E34-F85 WeakPolarHBondContact OE1-CZ 3.43Å; I37-F85 HydrophobicContact CD1-CD2 4.13Å; I37-F85 HydrophobicContact CD1-CE2 4.18Å; I44-F85 HydrophobicContact CG2-CB 4.23Å; I44-F85 HydrophobicContact CG2-CD1 3.9Å; I44-F85 HydrophobicContact CG2-CG 4.3Å; E46-F85 VanDerWaalsContact O-CA 3.28Å; E46-F85 WeakPolarHBondContact O-CA 3.39Å; K47-F85 HydrophobicContact CB-CD1 3.98Å; K47-F85 HydrophobicContact CB-CE1 4.19Å; K47-F85 HydrophobicContact CD-CD1 4.43Å; K47-F85 HydrophobicContact CD-CE1 3.78Å; K47-F85 HydrophobicContact CG-CD1 3.92Å; K47-F85 HydrophobicContact CG-CE1 3.66Å; F85-L87 HydrophobicContact CB-CD2 3.86Å; F85-L87 HydrophobicContact CB-CG 4.45Å
86I98.1Very high95.9Very high1 Ų133.3 Ų33.31%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-94.2121.8152.7-56.7-179.5000107.1N17 T45 E46 I136 F140 A143N17-I86 HydrophobicContact CB-CG2 4.22Å; T45-I86 PolarHBondContact N-O 2.87Å; T45-I86 WeakPolarHBondContact OG1-CB 3.43Å; T45-I86 WeakPolarHBondContact OG1-CG2 3.38Å; T45-I86 PolarHBondContact OG1-O 2.84Å; E46-I86 HydrophobicContact CB-CB 3.98Å; E46-I86 HydrophobicContact CB-CD1 3.86Å; E46-I86 HydrophobicContact CB-CG1 3.85Å; E46-I86 HydrophobicContact CG-CB 4.43Å; E46-I86 HydrophobicContact CG-CD1 3.72Å; E46-I86 HydrophobicContact CG-CG1 4.27Å; E46-I86 PolarHBondContact O-N 3.43Å; I86-I136 HydrophobicContact CD1-CG2 3.57Å; I86-I136 HydrophobicContact CG1-CG1 4.35Å; I86-I136 HydrophobicContact CG1-CG2 4.07Å; I86-I136 HydrophobicContact CG2-CD1 4.21Å; I86-F140 HydrophobicContact CD1-CB 3.98Å; I86-F140 HydrophobicContact CD1-CD1 4.45Å; I86-F140 HydrophobicContact CD1-CD2 3.7Å; I86-F140 HydrophobicContact CD1-CE2 4.25Å; I86-F140 HydrophobicContact CD1-CG 3.82Å; I86-F140 HydrophobicContact CG1-CD2 3.58Å; I86-F140 HydrophobicContact CG1-CE2 3.67Å; I86-F140 HydrophobicContact CG1-CG 4.17Å; I86-F140 HydrophobicContact CG1-CZ 4.31Å; I86-A143 HydrophobicContact CD1-CB 3.46Å; I86-A143 VanDerWaalsContact CD1-CB 3.46Å
87L97.9Very high95.9Very high0 Ų034.5 Ų34.50%018%0.18CC..EExtended strand (participates in β ladder)trans-97.5140.3172.9-58.1-170.9000109.1N17 T18 A20 I37 I42 A43 I44 F85 W96N17-L87 WeakPolarHBondContact CA-O 3.41Å; N17-L87 PolarHBondContact ND2-O 3.44Å; T18-L87 HydrophobicContact CG2-CB 3.71Å; T18-L87 HydrophobicContact CG2-CD1 4.04Å; T18-L87 HydrophobicContact CG2-CG 4.24Å; T18-L87 PolarHBondContact N-O 3.3Å; T18-L87 VanDerWaalsContact N-O 3.09Å; T18-L87 PolarHBondContact O-N 3.48Å; A20-L87 HydrophobicContact CB-CD1 3.69Å; A20-L87 HydrophobicContact CB-CG 3.93Å; I37-L87 HydrophobicContact CD1-CD2 4.26Å; I37-L87 HydrophobicContact CG2-CD1 4.4Å; I37-L87 HydrophobicContact CG2-CD2 3.76Å; I42-L87 HydrophobicContact CG2-CB 3.68Å; I42-L87 HydrophobicContact CG2-CD1 4.25Å; I42-L87 HydrophobicContact CG2-CD2 4.31Å; I42-L87 HydrophobicContact CG2-CG 4.3Å; A43-L87 CarbonylContact O-C 3.52Å; A43-L87 WeakPolarHBondContact O-CA 3.3Å; I44-L87 HydrophobicContact CG1-CD2 3.79Å; F85-L87 HydrophobicContact CB-CD2 3.86Å; F85-L87 HydrophobicContact CB-CG 4.45Å; L87-W96 HydrophobicContact CD1-CB 4Å; L87-W96 HydrophobicContact CD1-CD2 3.86Å; L87-W96 HydrophobicContact CD1-CE3 4.14Å; L87-W96 HydrophobicContact CD1-CG 3.77Å
88N94.3Very high95.8Very high39 Ų3938.4 Ų38.421%0.20920%0.202CC..EExtended strand (participates in β ladder)trans-131.8135.4176.4-177.5-106.1000110.4E16 N17 A43 T45E16-N88 WeakPolarHBondContact O-CA 3.34Å; E16-N88 PolarHBondContact O-ND2 3.32Å; N17-N88 WeakPolarHBondContact ND2-CB 3.43Å; N17-N88 PolarHBondContact ND2-ND2 3.31Å; N17-N88 VanDerWaalsContact ND2-ND2 3.12Å; A43-N88 PolarHBondContact N-O 3.28Å; A43-N88 PolarHBondContact O-N 2.94Å; T45-N88 HydrophobicContact CG2-CB 3.5Å
89G91.6Very high95.8Very high8 Ų837.8 Ų37.88%0.08220%0.197CC..EExtended strand (participates in β ladder)trans165.8173.5175.800000111.9E16 N91 A92E16-G89 PolarHBondContact N-O 2.7Å; E16-G89 PolarHBondContact O-N 3.28Å; G89-N91 PolarHBondContact O-N 3.25Å; G89-A92 PolarHBondContact O-N 3.31Å
90R88.3Confident95.9Very high149 Ų14934.6 Ų34.656%0.56217%0.174SC*.EExtended strand (participates in β ladder)trans-66.1124.6172.7-72.3172.3175.2177.91.5109.5S13 L14 A92 K95S13-R90 WeakPolarHBondContact OG-CD 3.24Å; S13-R90 PolarHBondContact OG-NE 2.81Å; L14-R90 WeakPolarHBondContact O-CA 3.31Å; R90-A92 PolarHBondContact O-N 3.36Å; R90-K95 WeakPolarHBondContact O-CD 3.37Å; R90-K95 WeakPolarHBondContact O-CE 3.48Å
91N88.3Confident95.8Very high70 Ų7038.1 Ų38.137%0.37418%0.182SC..THydrogen-bonded Turntrans5534.7-178.6-54.9-31000112.8L14 E16 G89 I93 T94 K95L14-N91 PolarHBondContact O-N 3.45Å; E16-N91 WeakPolarHBondContact OE1-CA 3.46Å; G89-N91 PolarHBondContact O-N 3.25Å; N91-I93 VanDerWaalsContact C-N 3.3Å; N91-I93 PolarHBondContact O-N 3.09Å; N91-T94 PolarHBondContact O-N 3.12Å; N91-T94 VanDerWaalsContact O-N 3.16Å; N91-K95 WeakPolarHBondContact O-CB 3.18Å; N91-K95 WeakPolarHBondContact O-CG 3.32Å; N91-K95 PolarHBondContact O-N 2.74Å
92A93.5Very high95.8Very high0 Ų040.2 Ų40.20%019%0.193CC..Hα-helixtrans-57-34.8-175.800000114.3E16 T18 I42 G89 R90 W96E16-A92 HydrophobicContact CG-CB 3.94Å; E16-A92 PolarHBondContact OE1-N 2.95Å; T18-A92 HydrophobicContact CG2-CB 4.31Å; I42-A92 HydrophobicContact CG2-CB 4.46Å; G89-A92 PolarHBondContact O-N 3.31Å; R90-A92 PolarHBondContact O-N 3.36Å; A92-W96 WeakPolarHBondContact O-CB 3.45Å; A92-W96 PolarHBondContact O-N 2.89Å
93I93.3Very high95.7Very high10 Ų1041.1 Ų41.15%0.05120%0.198CC..Hα-helixtrans-62.1-53.1174.4-66.6170.1000109.4E16 T18 N91 W96 K97 A132E16-I93 HydrophobicContact CG-CG1 4.38Å; E16-I93 VanDerWaalsContact OE1-CB 3.3Å; E16-I93 WeakPolarHBondContact OE1-CB 3.16Å; E16-I93 PolarHBondContact OE1-N 3.03Å; E16-I93 WeakPolarHBondContact OE2-CD1 3.37Å; T18-I93 HydrophobicContact CG2-CG1 4.46Å; N91-I93 VanDerWaalsContact C-N 3.3Å; N91-I93 PolarHBondContact O-N 3.09Å; I93-W96 PolarHBondContact O-N 3.21Å; I93-K97 HydrophobicContact CG2-CD 3.95Å; I93-K97 VanDerWaalsContact O-CG 3.32Å; I93-K97 WeakPolarHBondContact O-CG 3.49Å; I93-K97 PolarHBondContact O-N 3.35Å; I93-A132 HydrophobicContact CD1-CB 4.35Å
94T93.4Very high95.6Very high78 Ų7840.4 Ų40.448%0.47920%0.198SC..Hα-helixtrans-63.8-46.3-178.7-62.50000111.1N91 W96 K97 N98N91-T94 PolarHBondContact O-N 3.12Å; N91-T94 VanDerWaalsContact O-N 3.16Å; T94-W96 VanDerWaalsContact C-N 3.35Å; T94-W96 PolarHBondContact O-N 3.45Å; T94-K97 PolarHBondContact O-N 2.91Å; T94-N98 VanDerWaalsContact O-CG 3.23Å; T94-N98 PolarHBondContact O-N 2.82Å; T94-N98 PolarHBondContact O-ND2 3.17Å
95K95.5Very high95.6Very high47 Ų4745.9 Ų45.920%0.20423%0.227CC..Hα-helixtrans-61.4-42.6178-67.6178.8172.1-1720111.5Q40 D41 I42 R90 N91 N98 I99Q40-K95 WeakPolarHBondContact O-CD 3.36Å; Q40-K95 WeakPolarHBondContact O-CE 3.31Å; Q40-K95 PolarHBondContact O-NZ 3.2Å; D41-K95 PolarHBondContact O-NZ 3.28Å; D41-K95 IonicContact OD2-NZ 3.96Å; I42-K95 HydrophobicContact CD1-CB 3.54Å; I42-K95 HydrophobicContact CD1-CD 4.11Å; I42-K95 HydrophobicContact CG1-CB 4.21Å; I42-K95 HydrophobicContact CG1-CD 3.82Å; R90-K95 WeakPolarHBondContact O-CD 3.37Å; R90-K95 WeakPolarHBondContact O-CE 3.48Å; N91-K95 WeakPolarHBondContact O-CB 3.18Å; N91-K95 WeakPolarHBondContact O-CG 3.32Å; N91-K95 PolarHBondContact O-N 2.74Å; K95-N98 WeakPolarHBondContact O-CB 3.27Å; K95-N98 PolarHBondContact O-N 2.85Å; K95-I99 WeakPolarHBondContact O-CG1 3.49Å; K95-I99 PolarHBondContact O-N 2.93Å
96W97.6Very high95.5Very high0 Ų051.1 Ų51.10%025%0.251CS..Hα-helixtrans-64.8-42.5177.1178.5-132000112.5T18 A20 I33 I37 L87 A92 I93 T94 N98 I99 I100 L123 H124 G125T18-W96 HydrophobicContact CG2-CB 4.08Å; T18-W96 HydrophobicContact CG2-CG 4.39Å; A20-W96 HydrophobicContact CB-CD2 4.14Å; A20-W96 VanDerWaalsContact CB-CE2 3.45Å; A20-W96 HydrophobicContact CB-CH2 4.48Å; A20-W96 HydrophobicContact CB-CZ2 3.67Å; I33-W96 HydrophobicContact CG2-CH2 4.1Å; I33-W96 HydrophobicContact CG2-CZ3 4.43Å; I37-W96 HydrophobicContact CD1-CE3 4.46Å; I37-W96 HydrophobicContact CD1-CH2 4.36Å; I37-W96 HydrophobicContact CD1-CZ3 3.95Å; I37-W96 HydrophobicContact CG1-CE3 4.03Å; I37-W96 HydrophobicContact CG1-CZ3 3.7Å; L87-W96 HydrophobicContact CD1-CB 4Å; L87-W96 HydrophobicContact CD1-CD2 3.86Å; L87-W96 HydrophobicContact CD1-CE3 4.14Å; L87-W96 HydrophobicContact CD1-CG 3.77Å; A92-W96 WeakPolarHBondContact O-CB 3.45Å; A92-W96 PolarHBondContact O-N 2.89Å; I93-W96 PolarHBondContact O-N 3.21Å; T94-W96 VanDerWaalsContact C-N 3.35Å; T94-W96 PolarHBondContact O-N 3.45Å; W96-N98 VanDerWaalsContact C-N 3.28Å; W96-N98 PolarHBondContact O-N 3.38Å; W96-I99 HydrophobicContact CE3-CB 3.81Å; W96-I99 HydrophobicContact CE3-CD1 3.87Å; W96-I99 HydrophobicContact CE3-CG1 4.47Å; W96-I99 HydrophobicContact CE3-CG2 3.9Å; W96-I99 HydrophobicContact CZ3-CB 4Å; W96-I99 HydrophobicContact CZ3-CD1 4.37Å; W96-I99 HydrophobicContact CZ3-CG2 3.53Å; W96-I99 WeakPolarHBondContact O-CB 3.46Å; W96-I99 PolarHBondContact O-N 2.95Å; W96-I100 HydrophobicContact CD2-CD1 4.14Å; W96-I100 HydrophobicContact CD2-CG1 4.11Å; W96-I100 HydrophobicContact CE3-CG1 4.41Å; W96-I100 HydrophobicContact CG-CD1 4.43Å; W96-I100 HydrophobicContact CH2-CG1 4.01Å; W96-I100 HydrophobicContact CZ2-CD1 3.76Å; W96-I100 HydrophobicContact CZ2-CG1 3.69Å; W96-I100 HydrophobicContact CZ3-CG1 4.36Å; W96-I100 WeakPolarHBondContact O-CG1 3.41Å; W96-I100 PolarHBondContact O-N 3.48Å; W96-L123 HydrophobicContact CH2-CD1 3.93Å; W96-L123 HydrophobicContact CH2-CD2 4.33Å; W96-L123 HydrophobicContact CH2-CG 4.5Å; W96-L123 HydrophobicContact CZ2-CB 4.23Å; W96-L123 HydrophobicContact CZ2-CD1 4.42Å; W96-H124 PolarHBondContact NE1-O 3.33Å; W96-G125 VanDerWaalsContact CD1-CA 3.48Å; W96-G125 VanDerWaalsContact NE1-CA 3.28Å
97K97.4Very high95.4Very high72 Ų7255.1 Ų55.131%0.31328%0.276SS..Hα-helixtrans-60.4-38.6173.6-70.8171.780.11720111.9I93 T94 I100 F101 E127I93-K97 HydrophobicContact CG2-CD 3.95Å; I93-K97 VanDerWaalsContact O-CG 3.32Å; I93-K97 WeakPolarHBondContact O-CG 3.49Å; I93-K97 PolarHBondContact O-N 3.35Å; T94-K97 PolarHBondContact O-N 2.91Å; K97-I100 PolarHBondContact O-N 3.36Å; K97-F101 WeakPolarHBondContact O-CB 3.27Å; K97-F101 PolarHBondContact O-N 3.31Å; K97-E127 PolarHBondContact NZ-O 3.3Å; K97-E127 IonicContact NZ-OE1 2.76Å; K97-E127 PolarHBondContact NZ-OE1 2.96Å; K97-E127 IonicContact NZ-OE2 3.4Å; K97-E127 PolarHBondContact NZ-OE2 3.5Å
98N96.9Very high95.4Very high84 Ų8455.5 Ų55.545%0.44928%0.278SS..Hα-helixtrans-66.4-40175-69-15.8000112T94 K95 W96 F101 N102T94-N98 VanDerWaalsContact O-CG 3.23Å; T94-N98 PolarHBondContact O-N 2.82Å; T94-N98 PolarHBondContact O-ND2 3.17Å; K95-N98 WeakPolarHBondContact O-CB 3.27Å; K95-N98 PolarHBondContact O-N 2.85Å; W96-N98 VanDerWaalsContact C-N 3.28Å; W96-N98 PolarHBondContact O-N 3.38Å; N98-F101 PolarHBondContact O-N 3.38Å; N98-N102 VanDerWaalsContact O-CB 3.31Å; N98-N102 WeakPolarHBondContact O-CB 3.45Å; N98-N102 PolarHBondContact O-N 3.26Å; N98-N102 PolarHBondContact O-ND2 3.4Å
99I97.9Very high95.5Very high1 Ų157.9 Ų57.91%0.00529%0.288CS..Hα-helixtrans-59.7-49.8172.7-68.2161.7000110.4E36 I37 Q40 I42 K95 W96 F101 N102 L103E36-I99 HydrophobicContact CB-CG2 4.32Å; E36-I99 HydrophobicContact CG-CB 4.47Å; E36-I99 HydrophobicContact CG-CG1 4.25Å; E36-I99 HydrophobicContact CG-CG2 3.53Å; I37-I99 HydrophobicContact CG1-CD1 4.37Å; Q40-I99 HydrophobicContact CB-CD1 4.09Å; Q40-I99 HydrophobicContact CG-CD1 3.68Å; Q40-I99 HydrophobicContact CG-CG1 3.75Å; I42-I99 HydrophobicContact CD1-CD1 3.98Å; K95-I99 WeakPolarHBondContact O-CG1 3.49Å; K95-I99 PolarHBondContact O-N 2.93Å; W96-I99 HydrophobicContact CE3-CB 3.81Å; W96-I99 HydrophobicContact CE3-CD1 3.87Å; W96-I99 HydrophobicContact CE3-CG1 4.47Å; W96-I99 HydrophobicContact CE3-CG2 3.9Å; W96-I99 HydrophobicContact CZ3-CB 4Å; W96-I99 HydrophobicContact CZ3-CD1 4.37Å; W96-I99 HydrophobicContact CZ3-CG2 3.53Å; W96-I99 WeakPolarHBondContact O-CB 3.46Å; W96-I99 PolarHBondContact O-N 2.95Å; I99-F101 VanDerWaalsContact C-N 3.29Å; I99-F101 PolarHBondContact O-N 2.97Å; I99-N102 PolarHBondContact O-N 2.82Å; I99-L103 HydrophobicContact CG2-CD1 3.7Å; I99-L103 HydrophobicContact CG2-CG 4.22Å; I99-L103 WeakPolarHBondContact O-CB 2.85Å; I99-L103 WeakPolarHBondContact O-CG 3.31Å; I99-L103 PolarHBondContact O-N 3.41Å
100I98.3Very high95.7Very high14 Ų1458.5 Ų58.57%0.07229%0.289CS..Hα-helixtrans-57.1-46177.9-67.2171.4000110.6W96 K97 L103 D104 R120 L123W96-I100 HydrophobicContact CD2-CD1 4.14Å; W96-I100 HydrophobicContact CD2-CG1 4.11Å; W96-I100 HydrophobicContact CE3-CG1 4.41Å; W96-I100 HydrophobicContact CG-CD1 4.43Å; W96-I100 HydrophobicContact CH2-CG1 4.01Å; W96-I100 HydrophobicContact CZ2-CD1 3.76Å; W96-I100 HydrophobicContact CZ2-CG1 3.69Å; W96-I100 HydrophobicContact CZ3-CG1 4.36Å; W96-I100 WeakPolarHBondContact O-CG1 3.41Å; W96-I100 PolarHBondContact O-N 3.48Å; K97-I100 PolarHBondContact O-N 3.36Å; I100-L103 PolarHBondContact O-N 3.46Å; I100-D104 PolarHBondContact O-N 3.25Å; I100-D104 VanDerWaalsContact O-N 3.16Å; I100-R120 HydrophobicContact CG2-CB 4.48Å; I100-R120 HydrophobicContact CG2-CG 3.85Å; I100-L123 HydrophobicContact CB-CD1 4.45Å; I100-L123 HydrophobicContact CD1-CB 4.09Å; I100-L123 HydrophobicContact CG1-CB 3.83Å; I100-L123 HydrophobicContact CG1-CD1 3.91Å; I100-L123 HydrophobicContact CG2-CB 4.31Å
101F97.5Very high95.9Very high129 Ų12956.8 Ų56.857%0.56630%0.3SS*.Hα-helixtrans-61.6-44.8178.5179-93.8000112K97 N98 I99 L103 D104K97-F101 WeakPolarHBondContact O-CB 3.27Å; K97-F101 PolarHBondContact O-N 3.31Å; N98-F101 PolarHBondContact O-N 3.38Å; I99-F101 VanDerWaalsContact C-N 3.29Å; I99-F101 PolarHBondContact O-N 2.97Å; F101-L103 VanDerWaalsContact C-N 3.32Å; F101-L103 PolarHBondContact O-N 2.9Å; F101-D104 WeakPolarHBondContact O-CB 3.34Å; F101-D104 PolarHBondContact O-N 2.82Å
102N96.7Very high96.2Very high87 Ų8756.6 Ų56.647%0.46531%0.308SS..Hα-helixtrans-69.3-29.7179.8-70.3-17.5000112.6N98 I99 D104 H106N98-N102 VanDerWaalsContact O-CB 3.31Å; N98-N102 WeakPolarHBondContact O-CB 3.45Å; N98-N102 PolarHBondContact O-N 3.26Å; N98-N102 PolarHBondContact O-ND2 3.4Å; I99-N102 PolarHBondContact O-N 2.82Å; N102-D104 VanDerWaalsContact C-N 3.35Å; N102-H106 PolarHBondContact O-CD2 3.4Å; N102-H106 PolarHBondContact O-NE2 3.13Å
103L96.8Very high96.2Very high19 Ų1960.5 Ų60.510%0.09934%0.335CS..Hα-helixtrans-78.5-19.9176.1-72.2176.5000112.2E36 I99 I100 F101 N105 H106 I108 I118 L123E36-L103 HydrophobicContact CG-CD1 4.43Å; I99-L103 HydrophobicContact CG2-CD1 3.7Å; I99-L103 HydrophobicContact CG2-CG 4.22Å; I99-L103 WeakPolarHBondContact O-CB 2.85Å; I99-L103 WeakPolarHBondContact O-CG 3.31Å; I99-L103 PolarHBondContact O-N 3.41Å; I100-L103 PolarHBondContact O-N 3.46Å; F101-L103 VanDerWaalsContact C-N 3.32Å; F101-L103 PolarHBondContact O-N 2.9Å; L103-N105 PolarHBondContact O-N 2.79Å; L103-N105 VanDerWaalsContact O-N 3.14Å; L103-H106 VanDerWaalsContact O-CB 3.31Å; L103-H106 WeakPolarHBondContact O-CB 3.48Å; L103-H106 PolarHBondContact O-N 2.89Å; L103-I108 HydrophobicContact CD2-CG2 4.45Å; L103-I118 HydrophobicContact CB-CG2 3.84Å; L103-I118 WeakPolarHBondContact O-CG2 3.16Å; L103-L123 HydrophobicContact CD1-CD1 3.96Å
104D97.9Very high96.4Very high40 Ų4065.5 Ų65.521%0.21436%0.358CS..THydrogen-bonded Turntrans-58.2119.1-177.2-162.417.4000112I100 F101 N102 H106 T119 R120I100-D104 PolarHBondContact O-N 3.25Å; I100-D104 VanDerWaalsContact O-N 3.16Å; F101-D104 WeakPolarHBondContact O-CB 3.34Å; F101-D104 PolarHBondContact O-N 2.82Å; N102-D104 VanDerWaalsContact C-N 3.35Å; D104-H106 VanDerWaalsContact C-N 3.31Å; D104-T119 WeakPolarHBondContact OD1-CA 3.29Å; D104-R120 HydrophobicContact CB-CB 4.5Å; D104-R120 PolarHBondContact OD1-N 3.35Å; D104-R120 IonicContact OD2-NE 2.7Å; D104-R120 IonicContact OD2-NH2 3.28Å
105N97.2Very high96.6Very high115 Ų11568.2 Ų68.262%0.61537%0.366SS*.THydrogen-bonded Turntrans69.215.2-172.6-49.8-75.3000115.9L103 I118L103-N105 PolarHBondContact O-N 2.79Å; L103-N105 VanDerWaalsContact O-N 3.14Å; N105-I118 WeakPolarHBondContact CA-O 3.43Å; N105-I118 PolarHBondContact N-O 3.4Å
106H96.3Very high96.7Very high110 Ų11067.5 Ų67.551%0.50937%0.365SS..  trans-83.1146.2170.3-88-101.5000112.5N102 L103 D104 I117 I118N102-H106 PolarHBondContact O-CD2 3.4Å; N102-H106 PolarHBondContact O-NE2 3.13Å; L103-H106 VanDerWaalsContact O-CB 3.31Å; L103-H106 WeakPolarHBondContact O-CB 3.48Å; L103-H106 PolarHBondContact O-N 2.89Å; D104-H106 VanDerWaalsContact C-N 3.31Å; H106-I117 WeakPolarHBondContact O-CA 3.38Å; H106-I118 HydrophobicContact CB-CG2 4.49Å; H106-I118 PolarHBondContact O-N 3.01Å
107V97.3Very high96.7Very high86 Ų8671.9 Ų71.952%0.52139%0.388SS..EExtended strand (participates in β ladder)trans-79.7129.3167.9-179.10000108.7E115 T116 I117V107-E115 HydrophobicContact CG1-CB 4.07Å; V107-E115 HydrophobicContact CG1-CG 4.2Å; V107-T116 CarbonylContact C-O 3.59Å; V107-T116 WeakPolarHBondContact CA-O 3.36Å; V107-I117 HydrophobicContact CG2-CG1 4.06Å
108I96.6Very high96.7Very high8 Ų868.4 Ų68.44%0.04137%0.373CS..EExtended strand (participates in β ladder)trans-126.4151.2174.362.8173000109.8Y29 R32 L103 E115 T116 I118Y29-I108 HydrophobicContact CD1-CB 4.36Å; Y29-I108 HydrophobicContact CD1-CD1 3.82Å; Y29-I108 HydrophobicContact CD1-CG1 3.64Å; Y29-I108 HydrophobicContact CE1-CG1 4.17Å; Y29-I108 WeakPolarHBondContact CE1-O 3.47Å; Y29-I108 HydrophobicContact CG-CD1 3.71Å; Y29-I108 HydrophobicContact CG-CG1 4.07Å; R32-I108 HydrophobicContact CG-CB 4.41Å; L103-I108 HydrophobicContact CD2-CG2 4.45Å; I108-E115 WeakPolarHBondContact O-CA 3.35Å; I108-T116 HydrophobicContact CD1-CG2 4.23Å; I108-T116 HydrophobicContact CG1-CG2 3.8Å; I108-T116 PolarHBondContact N-O 2.97Å; I108-T116 PolarHBondContact O-N 3.07Å; I108-I118 HydrophobicContact CD1-CB 3.92Å; I108-I118 HydrophobicContact CD1-CD1 3.97Å; I108-I118 HydrophobicContact CD1-CG1 4.42Å; I108-I118 HydrophobicContact CD1-CG2 4.4Å; I108-I118 HydrophobicContact CG1-CB 4.36Å; I108-I118 HydrophobicContact CG2-CG2 4.22Å
109Q96.9Very high96.7Very high89 Ų8966.8 Ų66.842%0.41637%0.366SS..EExtended strand (participates in β ladder)trans-124.9139.9-176.3-173.8179.9-16.600109.9S113 E114 E115Q109-S113 PolarHBondContact NE2-OG 3.37Å; Q109-S113 VanDerWaalsContact NE2-OG 3.09Å; Q109-E114 VanDerWaalsContact CA-O 3.28Å; Q109-E114 WeakPolarHBondContact CA-O 3.45Å; Q109-E115 HydrophobicContact CB-CG 4.26Å; Q109-E115 HydrophobicContact CG-CG 4.26Å
110N95.8Very high96.6Very high20 Ų2072.9 Ų72.911%0.10739%0.389CS..  trans-90.7178.6173.470.514.7000111.8S28 Y29 A112 S113 E114S28-N110 WeakPolarHBondContact O-CB 3.2Å; Y29-N110 HydrophobicContact CD1-CB 3.87Å; Y29-N110 HydrophobicContact CE1-CB 3.99Å; Y29-N110 HydrophobicContact CG-CB 4.34Å; N110-A112 PolarHBondContact O-N 3.04Å; N110-A112 WeakPolarHBondContact OD1-CA 3.34Å; N110-A112 WeakPolarHBondContact OD1-CB 3.36Å; N110-A112 PolarHBondContact OD1-N 2.81Å; N110-S113 PolarHBondContact O-N 2.77Å; N110-S113 PolarHBondContact OD1-N 3.41Å; N110-E114 PolarHBondContact N-O 3.14Å; N110-E114 PolarHBondContact ND2-OE2 2.94Å; N110-E114 PolarHBondContact OD1-N 2.82Å
111S92.6Very high96.5Very high113 Ų11374.5 Ų74.579%0.7940%0.398SS*.THydrogen-bonded Turntrans-63.4-22.4178.856.50000114.2S113S111-S113 PolarHBondContact O-N 2.58Å
112A95Very high96.6Very high67 Ų6768.4 Ų68.455%0.55437%0.371SS*.THydrogen-bonded Turntrans-844.1174.600000113.4N110 E114N110-A112 PolarHBondContact O-N 3.04Å; N110-A112 WeakPolarHBondContact OD1-CA 3.34Å; N110-A112 WeakPolarHBondContact OD1-CB 3.36Å; N110-A112 PolarHBondContact OD1-N 2.81Å; A112-E114 HydrophobicContact CB-CG 4.31Å; A112-E114 PolarHBondContact O-N 3.39Å
113S93.4Very high96.6Very high81 Ų8164.6 Ų64.657%0.56635%0.35SS*.  trans64.622.2-175.7-53.80000115.7Q109 N110 S111Q109-S113 PolarHBondContact NE2-OG 3.37Å; Q109-S113 VanDerWaalsContact NE2-OG 3.09Å; N110-S113 PolarHBondContact O-N 2.77Å; N110-S113 PolarHBondContact OD1-N 3.41Å; S111-S113 PolarHBondContact O-N 2.58Å
114E97.2Very high96.7Very high115 Ų11564.4 Ų64.454%0.53735%0.349SS..  trans-82.6135.7169.6-57.5174.215900109.1Y29 Q109 N110 A112Y29-E114 VanDerWaalsContact CE1-O 3.3Å; Y29-E114 WeakPolarHBondContact CE1-O 3.44Å; Q109-E114 VanDerWaalsContact CA-O 3.28Å; Q109-E114 WeakPolarHBondContact CA-O 3.45Å; N110-E114 PolarHBondContact N-O 3.14Å; N110-E114 PolarHBondContact ND2-OE2 2.94Å; N110-E114 PolarHBondContact OD1-N 2.82Å; A112-E114 HydrophobicContact CB-CG 4.31Å; A112-E114 PolarHBondContact O-N 3.39Å
115E97.3Very high96.7Very high136 Ų13663.4 Ų63.464%0.63635%0.348SS*.EExtended strand (participates in β ladder)trans-104.9145.7-179.8-68.2-179.2171.100111.5V107 I108 Q109V107-E115 HydrophobicContact CG1-CB 4.07Å; V107-E115 HydrophobicContact CG1-CG 4.2Å; I108-E115 WeakPolarHBondContact O-CA 3.35Å; Q109-E115 HydrophobicContact CB-CG 4.26Å; Q109-E115 HydrophobicContact CG-CG 4.26Å
116T97.8Very high96.7Very high31 Ų3157.9 Ų57.919%0.1932%0.318CS..EExtended strand (participates in β ladder)trans-143159.9165.9-159.90000110.8R25 V26 Y29 V107 I108R25-T116 PolarHBondContact NH1-OG1 2.77Å; R25-T116 VanDerWaalsContact NH1-OG1 3.11Å; V26-T116 HydrophobicContact CG1-CG2 4.32Å; Y29-T116 HydrophobicContact CD1-CG2 4.21Å; Y29-T116 HydrophobicContact CD2-CG2 4.03Å; Y29-T116 HydrophobicContact CE1-CG2 3.72Å; Y29-T116 HydrophobicContact CE2-CG2 3.55Å; Y29-T116 HydrophobicContact CG-CG2 4.35Å; Y29-T116 WeakPolarHBondContact OH-CB 3.48Å; V107-T116 CarbonylContact C-O 3.59Å; V107-T116 WeakPolarHBondContact CA-O 3.36Å; I108-T116 HydrophobicContact CD1-CG2 4.23Å; I108-T116 HydrophobicContact CG1-CG2 3.8Å; I108-T116 PolarHBondContact N-O 2.97Å; I108-T116 PolarHBondContact O-N 3.07Å
117I97.9Very high96.4Very high92 Ų9258.1 Ų58.147%0.47232%0.32SS..EExtended strand (participates in β ladder)trans-90.7121.4167.4-62.3169.6000106.9R25 H106 V107R25-I117 PolarHBondContact NH1-O 3.26Å; R25-I117 PolarHBondContact NH2-O 3.5Å; H106-I117 WeakPolarHBondContact O-CA 3.38Å; V107-I117 HydrophobicContact CG2-CG1 4.06Å
118I97.6Very high96Very high0 Ų057.5 Ų57.50%031%0.314CS..  trans-82.7145.3173-167.9169.8000110V26 I33 L103 N105 H106 I108 D122 L123V26-I118 HydrophobicContact CG1-CG1 4.23Å; V26-I118 HydrophobicContact CG2-CD1 4.24Å; I33-I118 HydrophobicContact CD1-CD1 4.2Å; L103-I118 HydrophobicContact CB-CG2 3.84Å; L103-I118 WeakPolarHBondContact O-CG2 3.16Å; N105-I118 WeakPolarHBondContact CA-O 3.43Å; N105-I118 PolarHBondContact N-O 3.4Å; H106-I118 HydrophobicContact CB-CG2 4.49Å; H106-I118 PolarHBondContact O-N 3.01Å; I108-I118 HydrophobicContact CD1-CB 3.92Å; I108-I118 HydrophobicContact CD1-CD1 3.97Å; I108-I118 HydrophobicContact CD1-CG1 4.42Å; I108-I118 HydrophobicContact CD1-CG2 4.4Å; I108-I118 HydrophobicContact CG1-CB 4.36Å; I108-I118 HydrophobicContact CG2-CG2 4.22Å; I118-D122 HydrophobicContact CG1-CB 4.01Å; I118-L123 HydrophobicContact CD1-CD1 3.76Å; I118-L123 HydrophobicContact CD1-CD2 4.03Å; I118-L123 HydrophobicContact CD1-CG 3.85Å
119T97.4Very high95.5Very high50 Ų5058.9 Ų58.931%0.30732%0.319SS..  trans-120.7159.1175.476.80000109.1D104 D121 D122D104-T119 WeakPolarHBondContact OD1-CA 3.29Å; T119-D121 PolarHBondContact O-N 3.29Å; T119-D121 VanDerWaalsContact O-N 3.15Å; T119-D121 PolarHBondContact OG1-N 3.02Å; T119-D122 WeakPolarHBondContact CA-OD2 3.36Å; T119-D122 VanDerWaalsContact CB-OD2 3.3Å; T119-D122 WeakPolarHBondContact CB-OD2 3.44Å; T119-D122 PolarHBondContact N-OD2 2.94Å; T119-D122 WeakPolarHBondContact O-CB 3.34Å; T119-D122 PolarHBondContact O-N 2.86Å; T119-D122 VanDerWaalsContact O-OD2 3.11Å; T119-D122 PolarHBondContact OG1-OD2 2.93Å
120R96Very high95Very high128 Ų12858.6 Ų58.648%0.48332%0.319SS..G310 helixtrans-50.5-38.8174.5-175.3-175.2-57.5-170.4-0.2113.2I100 D104 D122 L123I100-R120 HydrophobicContact CG2-CB 4.48Å; I100-R120 HydrophobicContact CG2-CG 3.85Å; D104-R120 HydrophobicContact CB-CB 4.5Å; D104-R120 PolarHBondContact OD1-N 3.35Å; D104-R120 IonicContact OD2-NE 2.7Å; D104-R120 IonicContact OD2-NH2 3.28Å; R120-D122 PolarHBondContact O-N 3.38Å; R120-L123 PolarHBondContact O-N 2.86Å; R120-L123 VanDerWaalsContact O-O 3.08Å
121D96.2Very high94.8Very high49 Ų4959.1 Ų59.126%0.26232%0.321SS..G310 helixtrans-70.7-11.3-176.5-82.64.5000112.7K23 R72 M76 T119 L123K23-D121 VanDerWaalsContact CD-O 3.25Å; K23-D121 WeakPolarHBondContact CD-O 3.31Å; K23-D121 WeakPolarHBondContact CE-O 2.92Å; K23-D121 PolarHBondContact NZ-O 3.5Å; R72-D121 IonicContact CZ-OD2 3.4Å; R72-D121 IonicContact NE-OD2 3.73Å; R72-D121 PolarHBondContact NE-OD2 3.45Å; R72-D121 IonicContact NH2-OD2 3.13Å; R72-D121 PolarHBondContact NH2-OD2 3.48Å; M76-D121 HydrophobicContact CE-CB 3.96Å; M76-D121 VanDerWaalsContact CE-O 3.31Å; M76-D121 WeakPolarHBondContact CE-O 3.29Å; M76-D121 HydrophobicContact SD-CB 4.43Å; T119-D121 PolarHBondContact O-N 3.29Å; T119-D121 VanDerWaalsContact O-N 3.15Å; T119-D121 PolarHBondContact OG1-N 3.02Å; D121-L123 VanDerWaalsContact C-N 3.34Å
122D97.9Very high94.9Very high1 Ų153.8 Ų53.81%0.00528%0.283CS..G310 helixtrans-83.3-14.3176.6-59.2-64000113.9K23 R25 V26 I118 T119 R120K23-D122 WeakPolarHBondContact CB-O 3.47Å; K23-D122 WeakPolarHBondContact CG-O 3.29Å; K23-D122 PolarHBondContact N-O 3.16Å; R25-D122 IonicContact CZ-OD1 3.87Å; R25-D122 IonicContact CZ-OD2 3.43Å; R25-D122 VanDerWaalsContact NE-CG 3.31Å; R25-D122 IonicContact NE-OD1 3.45Å; R25-D122 PolarHBondContact NE-OD1 2.87Å; R25-D122 IonicContact NE-OD2 2.67Å; R25-D122 PolarHBondContact NE-OD2 2.86Å; R25-D122 IonicContact NH2-OD1 3.09Å; R25-D122 PolarHBondContact NH2-OD1 3.21Å; R25-D122 IonicContact NH2-OD2 3.44Å; R25-D122 PolarHBondContact NH2-OD2 3.14Å; V26-D122 HydrophobicContact CB-CB 4.44Å; V26-D122 HydrophobicContact CG1-CB 3.91Å; V26-D122 HydrophobicContact CG2-CB 3.65Å; I118-D122 HydrophobicContact CG1-CB 4.01Å; T119-D122 WeakPolarHBondContact CA-OD2 3.36Å; T119-D122 VanDerWaalsContact CB-OD2 3.3Å; T119-D122 WeakPolarHBondContact CB-OD2 3.44Å; T119-D122 PolarHBondContact N-OD2 2.94Å; T119-D122 WeakPolarHBondContact O-CB 3.34Å; T119-D122 PolarHBondContact O-N 2.86Å; T119-D122 VanDerWaalsContact O-OD2 3.11Å; T119-D122 PolarHBondContact OG1-OD2 2.93Å; R120-D122 PolarHBondContact O-N 3.38Å
123L98.4Very high94.7Very high6 Ų655.9 Ų55.93%0.03128%0.277CS..EExtended strand (participates in β ladder)trans-114.8155.3176.7-58178000109.2I21 V22 K23 V26 I33 W96 I100 L103 I118 R120 D121I21-L123 CarbonylContact O-C 3.58Å; I21-L123 WeakPolarHBondContact O-CA 3.15Å; V22-L123 HydrophobicContact CG1-CD2 4.47Å; V22-L123 HydrophobicContact CG2-CD2 4.2Å; K23-L123 WeakPolarHBondContact CE-O 3.41Å; K23-L123 PolarHBondContact NZ-O 3.24Å; V26-L123 HydrophobicContact CG2-CD2 4.44Å; I33-L123 HydrophobicContact CD1-CD2 3.99Å; W96-L123 HydrophobicContact CH2-CD1 3.93Å; W96-L123 HydrophobicContact CH2-CD2 4.33Å; W96-L123 HydrophobicContact CH2-CG 4.5Å; W96-L123 HydrophobicContact CZ2-CB 4.23Å; W96-L123 HydrophobicContact CZ2-CD1 4.42Å; I100-L123 HydrophobicContact CB-CD1 4.45Å; I100-L123 HydrophobicContact CD1-CB 4.09Å; I100-L123 HydrophobicContact CG1-CB 3.83Å; I100-L123 HydrophobicContact CG1-CD1 3.91Å; I100-L123 HydrophobicContact CG2-CB 4.31Å; L103-L123 HydrophobicContact CD1-CD1 3.96Å; I118-L123 HydrophobicContact CD1-CD1 3.76Å; I118-L123 HydrophobicContact CD1-CD2 4.03Å; I118-L123 HydrophobicContact CD1-CG 3.85Å; R120-L123 PolarHBondContact O-N 2.86Å; R120-L123 VanDerWaalsContact O-O 3.08Å; D121-L123 VanDerWaalsContact C-N 3.34Å
124H98.3Very high94.7Very high16 Ų1658.1 Ų58.17%0.07427%0.273CS..EExtended strand (participates in β ladder)trans-125.7135.4168.2178.891.5000108.7A20 I21 F60 Y61 W96 E135A20-H124 WeakPolarHBondContact CA-O 3.49Å; I21-H124 HydrophobicContact CB-CB 3.77Å; I21-H124 HydrophobicContact CD1-CB 4.08Å; I21-H124 HydrophobicContact CG1-CB 3.97Å; I21-H124 PolarHBondContact N-O 2.95Å; I21-H124 PolarHBondContact O-N 2.79Å; F60-H124 AromaticContact CE1-CE1 3.82Å; F60-H124 AromaticContact CE1-ND1 4Å; F60-H124 AromaticContact CZ-CD2 3.9Å; F60-H124 AromaticContact CZ-CE1 3.68Å; F60-H124 AromaticContact CZ-NE2 3.51Å; Y61-H124 AromaticContact CE1-ND1 3.8Å; W96-H124 PolarHBondContact NE1-O 3.33Å; H124-E135 IonicContact CD2-OE2 2.6Å; H124-E135 IonicContact CE1-OE1 3.41Å; H124-E135 PolarHBondContact CE1-OE1 2.94Å; H124-E135 IonicContact CE1-OE2 3.4Å; H124-E135 IonicContact NE2-OE1 2.72Å; H124-E135 PolarHBondContact NE2-OE1 3.35Å; H124-E135 VanDerWaalsContact NE2-OE1 3.13Å; H124-E135 IonicContact NE2-OE2 3.4Å; H124-E135 PolarHBondContact NE2-OE2 3.25Å
125G97.4Very high94.7Very high18 Ų1853.1 Ų53.119%0.18625%0.25CC..EExtended strand (participates in β ladder)trans-131.9139.4166.300000108.9W96W96-G125 VanDerWaalsContact CD1-CA 3.48Å; W96-G125 VanDerWaalsContact NE1-CA 3.28Å
126S96.5Very high94.7Very high0 Ų046.7 Ų46.70%022%0.22CC..  trans-60.7139.2174.5-50.90000110.5L19 A132 E135L19-S126 WeakPolarHBondContact CB-OG 3.29Å; L19-S126 PolarHBondContact N-OG 3.37Å; S126-A132 VanDerWaalsContact CB-CA 3.46Å; S126-A132 VanDerWaalsContact OG-CA 3.3Å; S126-A132 WeakPolarHBondContact OG-CA 3.3Å; S126-E135 WeakPolarHBondContact CB-OE2 3.44Å; S126-E135 PolarHBondContact OG-OE2 3.04Å
127E91Very high94.6Very high114 Ų11449.3 Ų49.353%0.53323%0.228SC..SBendtrans-70-39.3-175.1-175.854.9-146.200112.5K97 K131K97-E127 PolarHBondContact NZ-O 3.3Å; K97-E127 IonicContact NZ-OE1 2.76Å; K97-E127 PolarHBondContact NZ-OE1 2.96Å; K97-E127 IonicContact NZ-OE2 3.4Å; K97-E127 PolarHBondContact NZ-OE2 3.5Å; E127-K131 HydrophobicContact CB-CD 4.16Å
128D88.2Confident94.6Very high74 Ų7448.8 Ų48.840%0.39622%0.223SC..SBendtrans-149.8174.1-175.865.354.7000111.1L130 K131 A132D128-L130 PolarHBondContact O-N 3.21Å; D128-L130 WeakPolarHBondContact OD1-CA 3.39Å; D128-L130 WeakPolarHBondContact OD1-CB 3.45Å; D128-L130 PolarHBondContact OD1-N 3.48Å; D128-K131 PolarHBondContact O-N 3.25Å; D128-K131 PolarHBondContact OD1-N 3.5Å; D128-A132 WeakPolarHBondContact O-CB 3.39Å; D128-A132 PolarHBondContact O-N 3.22Å
129Y86.1Confident94.6Very high37 Ų3749 Ų4915%0.14522%0.224CC..Hα-helixtrans-57.8-44-179.5172.8-91.3000113.8K131 A132 R133 W148Y129-K131 VanDerWaalsContact C-N 3.3Å; Y129-K131 PolarHBondContact O-N 3.43Å; Y129-A132 PolarHBondContact O-N 2.99Å; Y129-R133 PolarHBondContact O-N 3.37Å; Y129-W148 HydrophobicContact CD1-CB 4.34Å; Y129-W148 AromaticContact CD1-CD1 3.59Å; Y129-W148 HydrophobicContact CD1-CD2 4.1Å; Y129-W148 AromaticContact CD1-CG 3.77Å; Y129-W148 HydrophobicContact CD1-CG 3.77Å; Y129-W148 AromaticContact CD1-NE1 3.89Å; Y129-W148 HydrophobicContact CE1-CB 3.48Å; Y129-W148 VanDerWaalsContact CE1-CB 3.48Å; Y129-W148 AromaticContact CE1-CD1 3.64Å; Y129-W148 AromaticContact CE1-CD2 3.85Å; Y129-W148 HydrophobicContact CE1-CD2 3.85Å; Y129-W148 HydrophobicContact CE1-CE3 4.47Å; Y129-W148 AromaticContact CE1-CG 3.36Å; Y129-W148 HydrophobicContact CE1-CG 3.36Å; Y129-W148 HydrophobicContact CE2-CB 4.14Å; Y129-W148 HydrophobicContact CE2-CG 4.37Å; Y129-W148 AromaticContact CG-CD1 3.92Å; Y129-W148 HydrophobicContact CG-CG 4.46Å; Y129-W148 AromaticContact CZ-CD1 3.99Å; Y129-W148 AromaticContact CZ-CG 3.73Å; Y129-W148 WeakPolarHBondContact OH-CB 3.3Å; Y129-W148 PolarHBondContact OH-N 3.22Å
130L86Confident94.6Very high82 Ų8247.6 Ų47.643%0.42921%0.213SC..Hα-helixtrans-66-39.2-177-67.7175.3000110.4D128 R134D128-L130 PolarHBondContact O-N 3.21Å; D128-L130 WeakPolarHBondContact OD1-CA 3.39Å; D128-L130 WeakPolarHBondContact OD1-CB 3.45Å; D128-L130 PolarHBondContact OD1-N 3.48Å; L130-R134 WeakPolarHBondContact O-CG 3.47Å; L130-R134 PolarHBondContact O-N 2.81Å; L130-R134 PolarHBondContact O-NH1 3.1Å; L130-R134 VanDerWaalsContact O-NH1 3.15Å
131K92.1Very high94.5Very high32 Ų3245.1 Ų45.114%0.13921%0.214CC..Hα-helixtrans-68.3-46.5174.6-172.4157.8-178147.50111D63 E127 D128 Y129 R133 R134 E135D63-K131 WeakPolarHBondContact OD2-CE 2.96Å; D63-K131 IonicContact OD2-NZ 2.64Å; D63-K131 PolarHBondContact OD2-NZ 2.75Å; E127-K131 HydrophobicContact CB-CD 4.16Å; D128-K131 PolarHBondContact O-N 3.25Å; D128-K131 PolarHBondContact OD1-N 3.5Å; Y129-K131 VanDerWaalsContact C-N 3.3Å; Y129-K131 PolarHBondContact O-N 3.43Å; K131-R133 VanDerWaalsContact C-N 3.28Å; K131-R133 PolarHBondContact O-N 2.97Å; K131-R134 PolarHBondContact O-N 2.66Å; K131-R134 VanDerWaalsContact O-N 3.14Å; K131-E135 WeakPolarHBondContact CE-OE1 3.2Å; K131-E135 HydrophobicContact CG-CG 4.07Å; K131-E135 VanDerWaalsContact CG-OE1 3.31Å; K131-E135 WeakPolarHBondContact CG-OE1 3.36Å; K131-E135 WeakPolarHBondContact O-CB 3.28Å; K131-E135 VanDerWaalsContact O-CG 3.27Å; K131-E135 WeakPolarHBondContact O-CG 3.36Å; K131-E135 PolarHBondContact O-N 3.22Å
132A94.2Very high94.4Very high0 Ų051 Ų510%024%0.24CC..Hα-helixtrans-52.6-46175.200000112.2N17 I93 S126 D128 Y129 E135 I136N17-A132 WeakPolarHBondContact O-CB 3.35Å; I93-A132 HydrophobicContact CD1-CB 4.35Å; S126-A132 VanDerWaalsContact CB-CA 3.46Å; S126-A132 VanDerWaalsContact OG-CA 3.3Å; S126-A132 WeakPolarHBondContact OG-CA 3.3Å; D128-A132 WeakPolarHBondContact O-CB 3.39Å; D128-A132 PolarHBondContact O-N 3.22Å; Y129-A132 PolarHBondContact O-N 2.99Å; A132-E135 PolarHBondContact O-N 3.37Å; A132-I136 VanDerWaalsContact O-CB 3.29Å; A132-I136 WeakPolarHBondContact O-CB 3.4Å; A132-I136 WeakPolarHBondContact O-CD1 3.43Å; A132-I136 WeakPolarHBondContact O-CG1 3.35Å; A132-I136 PolarHBondContact O-N 3.17Å
133R91.6Very high94Very high111 Ų11151.5 Ų51.542%0.41924%0.244SC..Hα-helixtrans-61.3-47.6177.9-177.7162.787.8129.97.7113Y129 K131 K137 I145Y129-R133 PolarHBondContact O-N 3.37Å; K131-R133 VanDerWaalsContact C-N 3.28Å; K131-R133 PolarHBondContact O-N 2.97Å; R133-K137 WeakPolarHBondContact O-CB 3.36Å; R133-K137 WeakPolarHBondContact O-CG 3.31Å; R133-K137 PolarHBondContact O-N 2.76Å; R133-I145 HydrophobicContact CB-CD1 4.16Å; R133-I145 VanDerWaalsContact CD-CD1 3.45Å; R133-I145 HydrophobicContact CG-CD1 3.38Å
134R93.6Very high93.4Very high128 Ų12862.9 Ų62.948%0.48329%0.286SS..Hα-helixtrans-61.8-46.2178.1-68.6-167.8-52-85.49.7111D63 L130 K131 K137 F138D63-R134 IonicContact OD2-NH2 3.5Å; D63-R134 PolarHBondContact OD2-NH2 2.81Å; L130-R134 WeakPolarHBondContact O-CG 3.47Å; L130-R134 PolarHBondContact O-N 2.81Å; L130-R134 PolarHBondContact O-NH1 3.1Å; L130-R134 VanDerWaalsContact O-NH1 3.15Å; K131-R134 PolarHBondContact O-N 2.66Å; K131-R134 VanDerWaalsContact O-N 3.14Å; R134-K137 PolarHBondContact O-N 3.14Å; R134-F138 PolarHBondContact O-N 2.85Å
135E97.4Very high92.6Very high11 Ų1164 Ų645%0.05129%0.292CS..Hα-helixtrans-67-41.7-178.7-70.8-175.9171.200112.1L19 F60 H124 S126 K131 A132 F138 F139L19-E135 HydrophobicContact CB-CB 4.08Å; L19-E135 HydrophobicContact CD2-CB 3.8Å; L19-E135 HydrophobicContact CG-CB 4.46Å; F60-E135 HydrophobicContact CD2-CG 4.47Å; F60-E135 HydrophobicContact CE2-CB 3.92Å; F60-E135 HydrophobicContact CE2-CG 3.6Å; F60-E135 HydrophobicContact CZ-CG 4.14Å; H124-E135 IonicContact CD2-OE2 2.6Å; H124-E135 IonicContact CE1-OE1 3.41Å; H124-E135 PolarHBondContact CE1-OE1 2.94Å; H124-E135 IonicContact CE1-OE2 3.4Å; H124-E135 IonicContact NE2-OE1 2.72Å; H124-E135 PolarHBondContact NE2-OE1 3.35Å; H124-E135 VanDerWaalsContact NE2-OE1 3.13Å; H124-E135 IonicContact NE2-OE2 3.4Å; H124-E135 PolarHBondContact NE2-OE2 3.25Å; S126-E135 WeakPolarHBondContact CB-OE2 3.44Å; S126-E135 PolarHBondContact OG-OE2 3.04Å; K131-E135 WeakPolarHBondContact CE-OE1 3.2Å; K131-E135 HydrophobicContact CG-CG 4.07Å; K131-E135 VanDerWaalsContact CG-OE1 3.31Å; K131-E135 WeakPolarHBondContact CG-OE1 3.36Å; K131-E135 WeakPolarHBondContact O-CB 3.28Å; K131-E135 VanDerWaalsContact O-CG 3.27Å; K131-E135 WeakPolarHBondContact O-CG 3.36Å; K131-E135 PolarHBondContact O-N 3.22Å; A132-E135 PolarHBondContact O-N 3.37Å; E135-F138 WeakPolarHBondContact O-CB 3.28Å; E135-F138 PolarHBondContact O-N 3.47Å; E135-F139 WeakPolarHBondContact O-CD2 3.49Å; E135-F139 PolarHBondContact O-N 3.46Å
136I97.2Very high91.5Very high1 Ų163.8 Ų63.81%0.00529%0.289CS..Hα-helixtrans-59.8-48.3172.5-71.5165.9000110.5N17 L19 I86 A132 F138 F139 F140 A143 I145N17-I136 HydrophobicContact CB-CD1 3.72Å; L19-I136 HydrophobicContact CB-CG1 4.15Å; L19-I136 HydrophobicContact CD1-CG1 4.13Å; I86-I136 HydrophobicContact CD1-CG2 3.57Å; I86-I136 HydrophobicContact CG1-CG1 4.35Å; I86-I136 HydrophobicContact CG1-CG2 4.07Å; I86-I136 HydrophobicContact CG2-CD1 4.21Å; A132-I136 VanDerWaalsContact O-CB 3.29Å; A132-I136 WeakPolarHBondContact O-CB 3.4Å; A132-I136 WeakPolarHBondContact O-CD1 3.43Å; A132-I136 WeakPolarHBondContact O-CG1 3.35Å; A132-I136 PolarHBondContact O-N 3.17Å; I136-F138 PolarHBondContact O-N 3.31Å; I136-F139 PolarHBondContact O-N 2.76Å; I136-F140 CarbonylContact O-C 3.55Å; I136-F140 WeakPolarHBondContact O-CA 3.38Å; I136-F140 PolarHBondContact O-N 3.46Å; I136-A143 HydrophobicContact CG2-CB 4.07Å; I136-I145 HydrophobicContact CB-CG2 4.47Å; I136-I145 HydrophobicContact CD1-CG2 4.08Å; I136-I145 HydrophobicContact CG2-CG2 3.74Å
137K95.8Very high90.1Very high86 Ų8667.9 Ų67.937%0.37432%0.316SS..Hα-helixtrans-65.1-27.5179.1-71.5-58.1-166.9-1780113.4R133 R134 P141 A143R133-K137 WeakPolarHBondContact O-CB 3.36Å; R133-K137 WeakPolarHBondContact O-CG 3.31Å; R133-K137 PolarHBondContact O-N 2.76Å; R134-K137 PolarHBondContact O-N 3.14Å; K137-P141 WeakPolarHBondContact CD-O 3.37Å; K137-P141 PolarHBondContact NZ-O 3.17Å; K137-P141 WeakPolarHBondContact O-CA 3.25Å; K137-A143 PolarHBondContact NZ-O 2.99Å
138F96.9Very high88.9Confident80 Ų8066.3 Ų66.335%0.35131%0.305SS..Hα-helixtrans-62.5-42.9173.1-177.8-85.2000111.9L52 Q56 N59 F60 R134 E135 I136L52-F138 HydrophobicContact CD2-CE1 4.49Å; Q56-F138 HydrophobicContact CB-CZ 4.26Å; Q56-F138 WeakPolarHBondContact O-CZ 3.4Å; N59-F138 HydrophobicContact CB-CE2 4.29Å; F60-F138 HydrophobicContact CB-CE1 4.17Å; F60-F138 HydrophobicContact CB-CE2 4.41Å; F60-F138 HydrophobicContact CB-CZ 4.03Å; F60-F138 HydrophobicContact CD2-CD1 4.06Å; F60-F138 HydrophobicContact CD2-CE1 4.32Å; F60-F138 HydrophobicContact CD2-CG 4.34Å; R134-F138 PolarHBondContact O-N 2.85Å; E135-F138 WeakPolarHBondContact O-CB 3.28Å; E135-F138 PolarHBondContact O-N 3.47Å; I136-F138 PolarHBondContact O-N 3.31Å
139F97.8Very high87.9Confident5 Ų564.5 Ų64.52%0.02230%0.295CS..Hα-helixtrans-92.1-32-177.7-74.4-80.2000114.6L19 I21 K48 L52 F60 V84 E135 I136L19-F139 HydrophobicContact CD1-CB 4.46Å; L19-F139 HydrophobicContact CD1-CD2 3.97Å; L19-F139 HydrophobicContact CD2-CD2 3.6Å; L19-F139 HydrophobicContact CD2-CE2 3.63Å; L19-F139 HydrophobicContact CG-CD2 4.46Å; I21-F139 HydrophobicContact CD1-CE2 3.96Å; I21-F139 HydrophobicContact CD1-CZ 4Å; K48-F139 PolarHBondContact NZ-O 3.47Å; L52-F139 HydrophobicContact CD1-CE1 3.71Å; L52-F139 HydrophobicContact CD1-CZ 3.72Å; L52-F139 HydrophobicContact CD2-CE1 3.91Å; L52-F139 HydrophobicContact CG-CE1 4.25Å; F60-F139 AromaticContact CD2-CE2 3.68Å; F60-F139 HydrophobicContact CD2-CE2 3.68Å; F60-F139 HydrophobicContact CD2-CZ 4.28Å; F60-F139 HydrophobicContact CE2-CD2 4.33Å; F60-F139 AromaticContact CE2-CE2 3.49Å; F60-F139 HydrophobicContact CE2-CE2 3.49Å; F60-F139 VanDerWaalsContact CE2-CE2 3.49Å; F60-F139 HydrophobicContact CE2-CZ 4.36Å; F60-F139 HydrophobicContact CG-CE2 4.44Å; F60-F139 HydrophobicContact CZ-CE2 4.1Å; V84-F139 HydrophobicContact CB-CD1 4.38Å; V84-F139 HydrophobicContact CG1-CB 4.12Å; V84-F139 HydrophobicContact CG1-CD1 4.06Å; V84-F139 HydrophobicContact CG1-CD2 4Å; V84-F139 HydrophobicContact CG1-CE1 4.48Å; V84-F139 HydrophobicContact CG1-CE2 4.43Å; V84-F139 HydrophobicContact CG1-CG 3.8Å; V84-F139 HydrophobicContact CG2-CD1 3.9Å; V84-F139 HydrophobicContact CG2-CE1 3.76Å; V84-F139 HydrophobicContact CG2-CG 4.47Å; V84-F139 HydrophobicContact CG2-CZ 4.23Å; E135-F139 WeakPolarHBondContact O-CD2 3.49Å; E135-F139 PolarHBondContact O-N 3.46Å; I136-F139 PolarHBondContact O-N 2.76Å
140F97.2Very high86.9Confident21 Ų2169.1 Ų69.19%0.09232%0.316CS..  trans-134.274.9-174.5-50.4-89.7000110.3L19 E46 K48 V84 I86 I136 E142 A143L19-F140 HydrophobicContact CD1-CD2 4.46Å; L19-F140 HydrophobicContact CD1-CE2 4.15Å; E46-F140 HydrophobicContact CB-CD1 4.14Å; E46-F140 HydrophobicContact CB-CE1 3.79Å; E46-F140 HydrophobicContact CB-CZ 4.14Å; E46-F140 HydrophobicContact CG-CD1 4.49Å; K48-F140 HydrophobicContact CB-CE1 3.64Å; K48-F140 HydrophobicContact CB-CZ 3.64Å; K48-F140 HydrophobicContact CD-CE1 4.14Å; K48-F140 HydrophobicContact CD-CZ 4.4Å; V84-F140 HydrophobicContact CB-CE2 4.5Å; V84-F140 HydrophobicContact CB-CZ 4.46Å; V84-F140 HydrophobicContact CG1-CE2 3.79Å; V84-F140 HydrophobicContact CG1-CZ 4.22Å; I86-F140 HydrophobicContact CD1-CB 3.98Å; I86-F140 HydrophobicContact CD1-CD1 4.45Å; I86-F140 HydrophobicContact CD1-CD2 3.7Å; I86-F140 HydrophobicContact CD1-CE2 4.25Å; I86-F140 HydrophobicContact CD1-CG 3.82Å; I86-F140 HydrophobicContact CG1-CD2 3.58Å; I86-F140 HydrophobicContact CG1-CE2 3.67Å; I86-F140 HydrophobicContact CG1-CG 4.17Å; I86-F140 HydrophobicContact CG1-CZ 4.31Å; I136-F140 CarbonylContact O-C 3.55Å; I136-F140 WeakPolarHBondContact O-CA 3.38Å; I136-F140 PolarHBondContact O-N 3.46Å; F140-E142 PolarHBondContact O-N 3.15Å; F140-A143 HydrophobicContact CB-CB 3.61Å; F140-A143 WeakPolarHBondContact O-CB 3.49Å; F140-A143 PolarHBondContact O-N 3.41Å
141P95.3Very high85.9Confident75 Ų7570.6 Ų70.649%0.48732%0.321SS..THydrogen-bonded Turntrans-55.3-37.3-177.5-26.134.7000113.2K137K137-P141 WeakPolarHBondContact CD-O 3.37Å; K137-P141 PolarHBondContact NZ-O 3.17Å; K137-P141 WeakPolarHBondContact O-CA 3.25Å
142E93.2Very high84.8Confident174 Ų17471.9 Ų71.981%0.81333%0.329SS*.THydrogen-bonded Turntrans-85.1-3.2-178-52.5-48.8130.500114F140 R144F140-E142 PolarHBondContact O-N 3.15Å; E142-R144 PolarHBondContact O-N 3.25Å
143A90.3Very high83.7Confident11 Ų1177.9 Ų77.99%0.09136%0.357CS..  trans-64.8134.4-17800000111.6I86 I136 K137 F140I86-A143 HydrophobicContact CD1-CB 3.46Å; I86-A143 VanDerWaalsContact CD1-CB 3.46Å; I136-A143 HydrophobicContact CG2-CB 4.07Å; K137-A143 PolarHBondContact NZ-O 2.99Å; F140-A143 HydrophobicContact CB-CB 3.61Å; F140-A143 WeakPolarHBondContact O-CB 3.49Å; F140-A143 PolarHBondContact O-N 3.41Å
144R84.6Confident82.8Confident244 Ų24478.6 Ų78.692%0.92137%0.365SS*.  trans-83.8124.1166.4-63.8-178.3-177.7174.1-0.1108.1E142E142-R144 PolarHBondContact O-N 3.25Å
145I82.9Confident81.9Confident40 Ų4078.4 Ų78.421%0.20537%0.365CS..  trans-111.7150.6178.655.5179.5000108.9N17 R133 I136N17-I145 HydrophobicContact CB-CG2 4.38Å; N17-I145 WeakPolarHBondContact OD1-CA 3.25Å; R133-I145 HydrophobicContact CB-CD1 4.16Å; R133-I145 VanDerWaalsContact CD-CD1 3.45Å; R133-I145 HydrophobicContact CG-CD1 3.38Å; I136-I145 HydrophobicContact CB-CG2 4.47Å; I136-I145 HydrophobicContact CD1-CG2 4.08Å; I136-I145 HydrophobicContact CG2-CG2 3.74Å
146A74.2Confident81.1Confident14 Ų1481.1 Ų81.112%0.11638%0.379CS..PPolyproline II helixtrans-52.9133.6174.500000109.7L15 N17 W148L15-A146 WeakPolarHBondContact O-CB 3.17Å; N17-A146 WeakPolarHBondContact OD1-CB 3.36Å; N17-A146 PolarHBondContact OD1-N 3.32Å; A146-W148 PolarHBondContact O-N 3Å
147P67.2Low80.3Confident86 Ų8683 Ų8356%0.55840%0.399SS*.PPolyproline II helixtrans-54.6135.9173.3-22.131.8000110.3L152P147-L152 HydrophobicContact CB-CB 4.27Å; P147-L152 HydrophobicContact CB-CD1 4.41Å
148W65.7Low79.4Confident80 Ų8081.6 Ų81.630%0.30340%0.398SS..PPolyproline II helixtrans-65.5143.9176.9-17622.1000110.9Y129 A146 K150 E151 L152Y129-W148 HydrophobicContact CD1-CB 4.34Å; Y129-W148 AromaticContact CD1-CD1 3.59Å; Y129-W148 HydrophobicContact CD1-CD2 4.1Å; Y129-W148 AromaticContact CD1-CG 3.77Å; Y129-W148 HydrophobicContact CD1-CG 3.77Å; Y129-W148 AromaticContact CD1-NE1 3.89Å; Y129-W148 HydrophobicContact CE1-CB 3.48Å; Y129-W148 VanDerWaalsContact CE1-CB 3.48Å; Y129-W148 AromaticContact CE1-CD1 3.64Å; Y129-W148 AromaticContact CE1-CD2 3.85Å; Y129-W148 HydrophobicContact CE1-CD2 3.85Å; Y129-W148 HydrophobicContact CE1-CE3 4.47Å; Y129-W148 AromaticContact CE1-CG 3.36Å; Y129-W148 HydrophobicContact CE1-CG 3.36Å; Y129-W148 HydrophobicContact CE2-CB 4.14Å; Y129-W148 HydrophobicContact CE2-CG 4.37Å; Y129-W148 AromaticContact CG-CD1 3.92Å; Y129-W148 HydrophobicContact CG-CG 4.46Å; Y129-W148 AromaticContact CZ-CD1 3.99Å; Y129-W148 AromaticContact CZ-CG 3.73Å; Y129-W148 WeakPolarHBondContact OH-CB 3.3Å; Y129-W148 PolarHBondContact OH-N 3.22Å; A146-W148 PolarHBondContact O-N 3Å; W148-K150 VanDerWaalsContact C-N 3.28Å; W148-K150 HydrophobicContact CD2-CB 3.8Å; W148-K150 HydrophobicContact CD2-CG 4.39Å; W148-K150 HydrophobicContact CE3-CB 3.78Å; W148-K150 HydrophobicContact CH2-CB 3.75Å; W148-K150 HydrophobicContact CH2-CD 3.61Å; W148-K150 HydrophobicContact CH2-CG 3.93Å; W148-K150 HydrophobicContact CZ2-CB 3.74Å; W148-K150 HydrophobicContact CZ2-CD 3.56Å; W148-K150 HydrophobicContact CZ2-CG 3.58Å; W148-K150 HydrophobicContact CZ3-CB 3.76Å; W148-K150 HydrophobicContact CZ3-CD 4.39Å; W148-K150 HydrophobicContact CZ3-CG 4.44Å; W148-K150 PolarHBondContact O-N 2.95Å; W148-E151 HydrophobicContact CB-CB 4.1Å; W148-E151 HydrophobicContact CE3-CB 4.49Å; W148-E151 CarbonylContact O-C 3.6Å; W148-E151 PolarHBondContact O-N 2.82Å; W148-E151 VanDerWaalsContact O-N 3.08Å; W148-L152 WeakPolarHBondContact O-CA 3.33Å; W148-L152 WeakPolarHBondContact O-CB 3.46Å; W148-L152 PolarHBondContact O-N 2.73Å
149D66.2Low78.5Confident37 Ų3782.8 Ų82.820%0.19841%0.405CS..Hα-helixtrans-56.3-34.5174.8-58.3-58.8000114.6L14 E153L14-D149 WeakPolarHBondContact CB-OD2 3.49Å; L14-D149 WeakPolarHBondContact CD1-OD2 3.35Å; L14-D149 HydrophobicContact CD2-CB 4.23Å; L14-D149 WeakPolarHBondContact CD2-OD1 3.37Å; L14-D149 WeakPolarHBondContact CD2-OD2 3.2Å; L14-D149 VanDerWaalsContact CG-OD2 3.23Å; L14-D149 WeakPolarHBondContact CG-OD2 3.38Å; D149-E153 VanDerWaalsContact O-CA 3.3Å; D149-E153 WeakPolarHBondContact O-CA 3.4Å; D149-E153 WeakPolarHBondContact O-CB 3.4Å; D149-E153 WeakPolarHBondContact O-CG 3.37Å; D149-E153 PolarHBondContact O-N 2.83Å
150K65.6Low78Confident133 Ų13385.2 Ų85.258%0.57842%0.417SS*.Hα-helixtrans-74.8-35.3176-67.6-162.5-175.51790113.4W148 H154W148-K150 VanDerWaalsContact C-N 3.28Å; W148-K150 HydrophobicContact CD2-CB 3.8Å; W148-K150 HydrophobicContact CD2-CG 4.39Å; W148-K150 HydrophobicContact CE3-CB 3.78Å; W148-K150 HydrophobicContact CH2-CB 3.75Å; W148-K150 HydrophobicContact CH2-CD 3.61Å; W148-K150 HydrophobicContact CH2-CG 3.93Å; W148-K150 HydrophobicContact CZ2-CB 3.74Å; W148-K150 HydrophobicContact CZ2-CD 3.56Å; W148-K150 HydrophobicContact CZ2-CG 3.58Å; W148-K150 HydrophobicContact CZ3-CB 3.76Å; W148-K150 HydrophobicContact CZ3-CD 4.39Å; W148-K150 HydrophobicContact CZ3-CG 4.44Å; W148-K150 PolarHBondContact O-N 2.95Å; K150-H154 WeakPolarHBondContact O-CB 3.49Å; K150-H154 PolarHBondContact O-N 2.84Å
151E64.3Low77.7Confident114 Ų11487.8 Ų87.853%0.53343%0.43SS..Hα-helixtrans-72.2-38.2176.2-172.3172.5-173.600110.3W148 Y155W148-E151 HydrophobicContact CB-CB 4.1Å; W148-E151 HydrophobicContact CE3-CB 4.49Å; W148-E151 CarbonylContact O-C 3.6Å; W148-E151 PolarHBondContact O-N 2.82Å; W148-E151 VanDerWaalsContact O-N 3.08Å; E151-Y155 WeakPolarHBondContact O-CB 3.36Å; E151-Y155 PolarHBondContact O-N 2.59Å
152L70.3Confident77.3Confident58 Ų5887.7 Ų87.730%0.30443%0.43SS..Hα-helixtrans-69.3-44.2173.3-177.164.6000111.2P147 W148 H154 Y155 L156P147-L152 HydrophobicContact CB-CB 4.27Å; P147-L152 HydrophobicContact CB-CD1 4.41Å; W148-L152 WeakPolarHBondContact O-CA 3.33Å; W148-L152 WeakPolarHBondContact O-CB 3.46Å; W148-L152 PolarHBondContact O-N 2.73Å; L152-H154 VanDerWaalsContact C-N 3.31Å; L152-Y155 PolarHBondContact O-N 2.78Å; L152-L156 HydrophobicContact CD1-CD1 4.11Å; L152-L156 HydrophobicContact CD1-CG 4Å; L152-L156 HydrophobicContact CD2-CD1 4.43Å; L152-L156 HydrophobicContact CG-CD1 3.8Å; L152-L156 HydrophobicContact CG-CG 4.12Å; L152-L156 WeakPolarHBondContact O-CA 3.41Å; L152-L156 WeakPolarHBondContact O-CB 3.36Å; L152-L156 WeakPolarHBondContact O-CG 3.39Å; L152-L156 PolarHBondContact O-N 2.64Å
153E70.7Confident77.2Confident126 Ų12681.1 Ų81.159%0.58940%0.4SS*.Hα-helixtrans-63.3-41.2173.9-81.5167.5-172.700109.8D149 G157D149-E153 VanDerWaalsContact O-CA 3.3Å; D149-E153 WeakPolarHBondContact O-CA 3.4Å; D149-E153 WeakPolarHBondContact O-CB 3.4Å; D149-E153 WeakPolarHBondContact O-CG 3.37Å; D149-E153 PolarHBondContact O-N 2.83Å; E153-G157 WeakPolarHBondContact O-CA 3.38Å; E153-G157 PolarHBondContact O-N 3.22Å
154H71.7Confident77.3Confident126 Ų12682.9 Ų82.958%0.58341%0.407SS*.Hα-helixtrans-61.9-56.1173.8-17472.7000109.6K150 L152 L156 G157 T158K150-H154 WeakPolarHBondContact O-CB 3.49Å; K150-H154 PolarHBondContact O-N 2.84Å; L152-H154 VanDerWaalsContact C-N 3.31Å; H154-L156 PolarHBondContact O-N 2.95Å; H154-G157 CarbonylContact O-C 3.5Å; H154-G157 PolarHBondContact O-N 3.47Å; H154-G157 VanDerWaalsContact O-N 3.09Å; H154-T158 WeakPolarHBondContact O-CB 3.41Å; H154-T158 WeakPolarHBondContact O-CG2 3.41Å; H154-T158 PolarHBondContact O-N 3.48Å; H154-T158 PolarHBondContact O-OG1 2.99Å
155Y76.4Confident77.7Confident124 Ų12474.7 Ų74.749%0.48639%0.385SS..Hα-helixtrans-59.6-45.2179.3178.1-98.7000113.1E151 L152 G157 E159 I160E151-Y155 WeakPolarHBondContact O-CB 3.36Å; E151-Y155 PolarHBondContact O-N 2.59Å; L152-Y155 PolarHBondContact O-N 2.78Å; Y155-G157 VanDerWaalsContact C-N 3.33Å; Y155-G157 PolarHBondContact O-N 3.11Å; Y155-E159 HydrophobicContact CD2-CB 3.87Å; Y155-E159 HydrophobicContact CD2-CG 3.34Å; Y155-E159 HydrophobicContact CE2-CB 3.69Å; Y155-E159 HydrophobicContact CE2-CG 3.45Å; Y155-E159 VanDerWaalsContact CE2-CG 3.45Å; Y155-E159 HydrophobicContact CG-CB 4.41Å; Y155-E159 HydrophobicContact CG-CG 4.15Å; Y155-E159 WeakPolarHBondContact O-CA 3.23Å; Y155-E159 WeakPolarHBondContact O-CB 3.43Å; Y155-E159 PolarHBondContact O-N 3.32Å; Y155-I160 HydrophobicContact CD1-CG1 4.01Å; Y155-I160 HydrophobicContact CE1-CD1 3.71Å; Y155-I160 HydrophobicContact CE1-CG1 3.56Å; Y155-I160 PolarHBondContact O-N 2.83Å
156L79.4Confident78.2Confident68 Ų6878.1 Ų78.136%0.35640%0.398SS..Iπ-helixtrans-61.6-45.2174.2-72.8175.7000109.5L152 H154 I160 M161L152-L156 HydrophobicContact CD1-CD1 4.11Å; L152-L156 HydrophobicContact CD1-CG 4Å; L152-L156 HydrophobicContact CD2-CD1 4.43Å; L152-L156 HydrophobicContact CG-CD1 3.8Å; L152-L156 HydrophobicContact CG-CG 4.12Å; L152-L156 WeakPolarHBondContact O-CA 3.41Å; L152-L156 WeakPolarHBondContact O-CB 3.36Å; L152-L156 WeakPolarHBondContact O-CG 3.39Å; L152-L156 PolarHBondContact O-N 2.64Å; H154-L156 PolarHBondContact O-N 2.95Å; L156-I160 HydrophobicContact CD2-CB 4.11Å; L156-I160 HydrophobicContact CD2-CG1 4.06Å; L156-I160 HydrophobicContact CD2-CG2 4.37Å; L156-I160 PolarHBondContact O-N 3.35Å; L156-M161 VanDerWaalsContact O-CB 3.25Å; L156-M161 WeakPolarHBondContact O-CB 3.45Å; L156-M161 WeakPolarHBondContact O-CG 3.29Å; L156-M161 PolarHBondContact O-N 2.72Å
157G80.3Confident79.1Confident41 Ų4177.4 Ų77.442%0.42339%0.392SS..Iπ-helixtrans-70.3-33-17900000114.4E153 H154 Y155 P162E153-G157 WeakPolarHBondContact O-CA 3.38Å; E153-G157 PolarHBondContact O-N 3.22Å; H154-G157 CarbonylContact O-C 3.5Å; H154-G157 PolarHBondContact O-N 3.47Å; H154-G157 VanDerWaalsContact O-N 3.09Å; Y155-G157 VanDerWaalsContact C-N 3.33Å; Y155-G157 PolarHBondContact O-N 3.11Å; G157-P162 VanDerWaalsContact O-CD 3.28Å; G157-P162 WeakPolarHBondContact O-CD 3.44Å; G157-P162 WeakPolarHBondContact O-CG 3.46Å
158T77Confident80.5Confident57 Ų5777 Ų7735%0.3539%0.385SS..Iπ-helixtrans-96.3-43.7-176.1620000112.5H154 P162H154-T158 WeakPolarHBondContact O-CB 3.41Å; H154-T158 WeakPolarHBondContact O-CG2 3.41Å; H154-T158 PolarHBondContact O-N 3.48Å; H154-T158 PolarHBondContact O-OG1 2.99Å; T158-P162 WeakPolarHBondContact O-CG 3.38Å
159E78.8Confident82Confident105 Ų10577.2 Ų77.249%0.49139%0.391SS..Iπ-helixtrans-96.5-44.3-172.6-48.8-48129.400112Y155Y155-E159 HydrophobicContact CD2-CB 3.87Å; Y155-E159 HydrophobicContact CD2-CG 3.34Å; Y155-E159 HydrophobicContact CE2-CB 3.69Å; Y155-E159 HydrophobicContact CE2-CG 3.45Å; Y155-E159 VanDerWaalsContact CE2-CG 3.45Å; Y155-E159 HydrophobicContact CG-CB 4.41Å; Y155-E159 HydrophobicContact CG-CG 4.15Å; Y155-E159 WeakPolarHBondContact O-CA 3.23Å; Y155-E159 WeakPolarHBondContact O-CB 3.43Å; Y155-E159 PolarHBondContact O-N 3.32Å
160I86Confident83.4Confident55 Ų5577.3 Ų77.328%0.28239%0.392SS..Iπ-helixtrans-96-48.9-167.2-52.1-59.1000113.5Y155 L156 I163 L164Y155-I160 HydrophobicContact CD1-CG1 4.01Å; Y155-I160 HydrophobicContact CE1-CD1 3.71Å; Y155-I160 HydrophobicContact CE1-CG1 3.56Å; Y155-I160 PolarHBondContact O-N 2.83Å; L156-I160 HydrophobicContact CD2-CB 4.11Å; L156-I160 HydrophobicContact CD2-CG1 4.06Å; L156-I160 HydrophobicContact CD2-CG2 4.37Å; L156-I160 PolarHBondContact O-N 3.35Å; I160-I163 WeakPolarHBondContact O-CG2 3.25Å; I160-I163 PolarHBondContact O-N 3.29Å; I160-L164 VanDerWaalsContact O-CB 3.28Å; I160-L164 WeakPolarHBondContact O-CB 3.34Å; I160-L164 PolarHBondContact O-N 3.14Å
161M90.7Very high84.8Confident76 Ų7672.2 Ų72.237%0.37437%0.371SS..Hα-helixtrans-66-39.9-173.9-71.8-54.993.500113.3L156 I163 L164 T165L156-M161 VanDerWaalsContact O-CB 3.25Å; L156-M161 WeakPolarHBondContact O-CB 3.45Å; L156-M161 WeakPolarHBondContact O-CG 3.29Å; L156-M161 PolarHBondContact O-N 2.72Å; M161-I163 PolarHBondContact O-N 3.41Å; M161-L164 HydrophobicContact CE-CB 4.46Å; M161-L164 HydrophobicContact CE-CD2 3.83Å; M161-L164 PolarHBondContact O-N 2.87Å; M161-T165 WeakPolarHBondContact O-CB 3.41Å; M161-T165 PolarHBondContact O-N 3.49Å; M161-T165 PolarHBondContact O-OG1 2.89Å
162P88.7Confident86.3Confident72 Ų7272.3 Ų72.347%0.46838%0.379SS..Hα-helixtrans-60.8-43.9178.2-27.338.5000112.4G157 T158 K166G157-P162 VanDerWaalsContact O-CD 3.28Å; G157-P162 WeakPolarHBondContact O-CD 3.44Å; G157-P162 WeakPolarHBondContact O-CG 3.46Å; T158-P162 WeakPolarHBondContact O-CG 3.38Å; P162-K166 PolarHBondContact O-N 3.35Å
163I89.4Confident87.4Confident36 Ų3676.9 Ų76.919%0.18540%0.396CS..Hα-helixtrans-72.7-43.9179.8-168.4160.8000111.8I160 M161 T165 K166 A167 W186 L187 N190I160-I163 WeakPolarHBondContact O-CG2 3.25Å; I160-I163 PolarHBondContact O-N 3.29Å; M161-I163 PolarHBondContact O-N 3.41Å; I163-T165 VanDerWaalsContact C-N 3.34Å; I163-T165 PolarHBondContact O-N 3.49Å; I163-K166 PolarHBondContact O-N 3.25Å; I163-A167 WeakPolarHBondContact O-CB 3.4Å; I163-A167 PolarHBondContact O-N 2.99Å; I163-W186 HydrophobicContact CG1-CH2 4.43Å; I163-W186 HydrophobicContact CG1-CZ3 3.86Å; I163-L187 HydrophobicContact CG1-CD2 4.09Å; I163-N190 HydrophobicContact CD1-CB 4.43Å; I163-N190 VanDerWaalsContact CD1-O 3.3Å; I163-N190 WeakPolarHBondContact CD1-O 3.38Å
164L92.8Very high88.6Confident48 Ų4875.5 Ų75.525%0.25139%0.392SS..Hα-helixtrans-65.9-38.4-179.8-17362.6000111.6I160 M161 K166 A167 L168I160-L164 VanDerWaalsContact O-CB 3.28Å; I160-L164 WeakPolarHBondContact O-CB 3.34Å; I160-L164 PolarHBondContact O-N 3.14Å; M161-L164 HydrophobicContact CE-CB 4.46Å; M161-L164 HydrophobicContact CE-CD2 3.83Å; M161-L164 PolarHBondContact O-N 2.87Å; L164-K166 PolarHBondContact O-N 3.17Å; L164-A167 WeakPolarHBondContact O-CB 3.32Å; L164-A167 PolarHBondContact O-N 2.98Å; L164-L168 HydrophobicContact CD1-CD1 4.31Å; L164-L168 HydrophobicContact CD1-CG 4.21Å; L164-L168 HydrophobicContact CG-CD1 3.94Å; L164-L168 HydrophobicContact CG-CG 4.27Å; L164-L168 WeakPolarHBondContact O-CB 3.49Å; L164-L168 VanDerWaalsContact O-CG 3.25Å; L164-L168 WeakPolarHBondContact O-CG 3.38Å; L164-L168 PolarHBondContact O-N 3.49Å
165T93.9Very high89.7Confident73 Ų7375.7 Ų75.745%0.44840%0.397SS..Hα-helixtrans-60.9-46.2176.4-60.30000110.9M161 I163 L168 I169M161-T165 WeakPolarHBondContact O-CB 3.41Å; M161-T165 PolarHBondContact O-N 3.49Å; M161-T165 PolarHBondContact O-OG1 2.89Å; I163-T165 VanDerWaalsContact C-N 3.34Å; I163-T165 PolarHBondContact O-N 3.49Å; T165-L168 PolarHBondContact O-N 2.91Å; T165-I169 HydrophobicContact CG2-CD1 3.91Å; T165-I169 WeakPolarHBondContact O-CB 3.49Å; T165-I169 VanDerWaalsContact O-CG1 3.24Å; T165-I169 WeakPolarHBondContact O-CG1 3.42Å; T165-I169 PolarHBondContact O-N 2.91Å
166K92.8Very high90.6Very high111 Ų11170.6 Ų70.648%0.48338%0.379SS..Hα-helixtrans-62.6-44.4176.5-172.7-176.9172.2-162.80111.3P162 I163 L164 L168 I169 D170 W186P162-K166 PolarHBondContact O-N 3.35Å; I163-K166 PolarHBondContact O-N 3.25Å; L164-K166 PolarHBondContact O-N 3.17Å; K166-L168 PolarHBondContact O-N 3.43Å; K166-I169 PolarHBondContact O-N 3.11Å; K166-D170 PolarHBondContact O-N 2.94Å; K166-W186 HydrophobicContact CB-CH2 3.88Å; K166-W186 HydrophobicContact CB-CZ2 4.35Å; K166-W186 HydrophobicContact CD-CH2 3.82Å; K166-W186 HydrophobicContact CD-CZ2 3.98Å; K166-W186 HydrophobicContact CG-CH2 3.74Å; K166-W186 HydrophobicContact CG-CZ2 3.78Å
167A93.9Very high91.3Very high0 Ų073.7 Ų73.70%040%0.403CS..Hα-helixtrans-58.2-47.1177.900000112I163 L164 D170 L171 L183 W186 L187I163-A167 WeakPolarHBondContact O-CB 3.4Å; I163-A167 PolarHBondContact O-N 2.99Å; L164-A167 WeakPolarHBondContact O-CB 3.32Å; L164-A167 PolarHBondContact O-N 2.98Å; A167-D170 PolarHBondContact O-N 3.08Å; A167-L171 VanDerWaalsContact O-CB 3.29Å; A167-L171 WeakPolarHBondContact O-CB 3.48Å; A167-L171 PolarHBondContact O-N 2.8Å; A167-L183 HydrophobicContact CB-CD1 3.48Å; A167-L183 VanDerWaalsContact CB-CD1 3.48Å; A167-W186 HydrophobicContact CB-CD2 3.92Å; A167-W186 HydrophobicContact CB-CE3 3.25Å; A167-W186 HydrophobicContact CB-CH2 3.94Å; A167-W186 HydrophobicContact CB-CZ2 4.47Å; A167-W186 HydrophobicContact CB-CZ3 3.3Å; A167-L187 HydrophobicContact CB-CD2 3.93Å; A167-L187 HydrophobicContact CB-CG 4.45Å
168L97Very high92Very high78 Ų7877.2 Ų77.241%0.40841%0.409SS..Hα-helixtrans-69.9-35.9-179.1-69175000112.3L164 T165 K166 D170 L171 V172 L183L164-L168 HydrophobicContact CD1-CD1 4.31Å; L164-L168 HydrophobicContact CD1-CG 4.21Å; L164-L168 HydrophobicContact CG-CD1 3.94Å; L164-L168 HydrophobicContact CG-CG 4.27Å; L164-L168 WeakPolarHBondContact O-CB 3.49Å; L164-L168 VanDerWaalsContact O-CG 3.25Å; L164-L168 WeakPolarHBondContact O-CG 3.38Å; L164-L168 PolarHBondContact O-N 3.49Å; T165-L168 PolarHBondContact O-N 2.91Å; K166-L168 PolarHBondContact O-N 3.43Å; L168-D170 VanDerWaalsContact C-N 3.35Å; L168-L171 HydrophobicContact CD2-CD2 4.02Å; L168-L171 PolarHBondContact O-N 2.89Å; L168-V172 VanDerWaalsContact O-CG2 3.31Å; L168-V172 WeakPolarHBondContact O-CG2 3.34Å; L168-V172 PolarHBondContact O-N 3.4Å; L168-L183 HydrophobicContact CD2-CD2 4.28Å
169I95.7Very high92.8Very high83 Ų8377.3 Ų77.343%0.42641%0.41SS..Hα-helixtrans-60.6-46.9172.5-72.8167.1000110.3T165 K166 V172 K173T165-I169 HydrophobicContact CG2-CD1 3.91Å; T165-I169 WeakPolarHBondContact O-CB 3.49Å; T165-I169 VanDerWaalsContact O-CG1 3.24Å; T165-I169 WeakPolarHBondContact O-CG1 3.42Å; T165-I169 PolarHBondContact O-N 2.91Å; K166-I169 PolarHBondContact O-N 3.11Å; I169-V172 PolarHBondContact O-N 3.4Å; I169-K173 HydrophobicContact CG2-CD 4.24Å; I169-K173 WeakPolarHBondContact O-CG 3.3Å; I169-K173 PolarHBondContact O-N 2.6Å; I169-K173 VanDerWaalsContact O-N 3.13Å
170D95.9Very high93.6Very high39 Ų3979 Ų7921%0.20942%0.422CS..Hα-helixtrans-69.1-38179.2-72.5-10.3000111.6K166 A167 L168 V172 K173 I174 W182 W186K166-D170 PolarHBondContact O-N 2.94Å; A167-D170 PolarHBondContact O-N 3.08Å; L168-D170 VanDerWaalsContact C-N 3.35Å; D170-V172 VanDerWaalsContact C-N 3.33Å; D170-V172 PolarHBondContact O-N 3.21Å; D170-K173 PolarHBondContact O-N 3.42Å; D170-K173 IonicContact OD1-NZ 3.99Å; D170-I174 HydrophobicContact CB-CD1 4.49Å; D170-I174 WeakPolarHBondContact O-CB 3.44Å; D170-I174 WeakPolarHBondContact O-CG1 3.34Å; D170-I174 PolarHBondContact O-N 3.44Å; D170-W182 HydrophobicContact CB-CH2 3.76Å; D170-W186 PolarHBondContact OD2-NE1 3.07Å
171L95.6Very high93.9Very high26 Ų2681.1 Ų81.114%0.13643%0.429CS..Hα-helixtrans-56.3-47.1174.2-176.774.9000111.2A167 L168 N175 P176 P179 W182A167-L171 VanDerWaalsContact O-CB 3.29Å; A167-L171 WeakPolarHBondContact O-CB 3.48Å; A167-L171 PolarHBondContact O-N 2.8Å; L168-L171 HydrophobicContact CD2-CD2 4.02Å; L168-L171 PolarHBondContact O-N 2.89Å; L171-N175 WeakPolarHBondContact O-CA 3.28Å; L171-N175 PolarHBondContact O-N 2.98Å; L171-P176 HydrophobicContact CD1-CG 3.88Å; L171-P179 HydrophobicContact CD1-CB 3.74Å; L171-P179 WeakPolarHBondContact CD1-O 3.4Å; L171-P179 HydrophobicContact CD2-CB 4.32Å; L171-P179 HydrophobicContact CG-CB 4.37Å; L171-W182 HydrophobicContact CB-CE3 4.16Å; L171-W182 HydrophobicContact CB-CZ3 3.72Å; L171-W182 HydrophobicContact CD1-CD2 4.11Å; L171-W182 HydrophobicContact CD1-CE3 3.3Å; L171-W182 HydrophobicContact CD1-CZ3 3.79Å; L171-W182 HydrophobicContact CG-CE3 4.35Å; L171-W182 HydrophobicContact CG-CZ3 4.4Å
172V94.8Very high94.1Very high116 Ų11680 Ų8070%0.70342%0.421SS*.Hα-helixtrans-65.6-39.4178.7170.10000111.3L168 I169 D170L168-V172 VanDerWaalsContact O-CG2 3.31Å; L168-V172 WeakPolarHBondContact O-CG2 3.34Å; L168-V172 PolarHBondContact O-N 3.4Å; I169-V172 PolarHBondContact O-N 3.4Å; D170-V172 VanDerWaalsContact C-N 3.33Å; D170-V172 PolarHBondContact O-N 3.21Å
173K95.1Very high94.4Very high155 Ų15577.8 Ų77.867%0.67441%0.405SS*.Hα-helixtrans-67.5-41.8178.4-73171.5-176.2168.80112.8I169 D170I169-K173 HydrophobicContact CG2-CD 4.24Å; I169-K173 WeakPolarHBondContact O-CG 3.3Å; I169-K173 PolarHBondContact O-N 2.6Å; I169-K173 VanDerWaalsContact O-N 3.13Å; D170-K173 PolarHBondContact O-N 3.42Å; D170-K173 IonicContact OD1-NZ 3.99Å
174I95Very high94.5Very high96 Ų9678.5 Ų78.549%0.49242%0.416SS..Hα-helixtrans-82.1-33.1-175.7-68.9165.1000110.6D170 P176 W182D170-I174 HydrophobicContact CB-CD1 4.49Å; D170-I174 WeakPolarHBondContact O-CB 3.44Å; D170-I174 WeakPolarHBondContact O-CG1 3.34Å; D170-I174 PolarHBondContact O-N 3.44Å; I174-P176 HydrophobicContact CG2-CB 4.25Å; I174-P176 HydrophobicContact CG2-CG 4.46Å; I174-W182 HydrophobicContact CB-CZ2 4.49Å; I174-W182 HydrophobicContact CD1-CH2 3.97Å; I174-W182 HydrophobicContact CD1-CZ2 3.26Å; I174-W182 HydrophobicContact CG1-CZ2 4.43Å
175N94.6Very high94.4Very high130 Ų13077.3 Ų77.370%0.69541%0.412SS*.  trans43.357.3-177.8-169.637.8000112.6L171L171-N175 WeakPolarHBondContact O-CA 3.28Å; L171-N175 PolarHBondContact O-N 2.98Å
176P95.2Very high94.4Very high17 Ų1774.9 Ų74.911%0.1140%0.395CS..  trans-67.4154.4-175.232.1-37.3000111L171 I174 E178 P179 W182L171-P176 HydrophobicContact CD1-CG 3.88Å; I174-P176 HydrophobicContact CG2-CB 4.25Å; I174-P176 HydrophobicContact CG2-CG 4.46Å; P176-E178 PolarHBondContact O-N 2.67Å; P176-P179 HydrophobicContact CG-CB 4.48Å; P176-W182 HydrophobicContact CB-CB 4.06Å; P176-W182 HydrophobicContact CB-CG 3.95Å; P176-W182 HydrophobicContact CG-CB 3.6Å; P176-W182 HydrophobicContact CG-CD2 3.98Å; P176-W182 HydrophobicContact CG-CG 3.54Å
177P94Very high94.3Very high133 Ų13372.1 Ų72.186%0.86439%0.385SS*.SBendtrans-62.2-26.9179.324.8-34.1000113.3P179P177-P179 WeakPolarHBondContact O-CD 3.31Å
178E94.8Very high93.9Very high115 Ų11575 Ų7554%0.53740%0.396SS..SBendtrans-120.176.4177.9-63.1-171.390.100111.3P176 L180 K181 W182P176-E178 PolarHBondContact O-N 2.67Å; E178-L180 PolarHBondContact O-N 2.73Å; E178-K181 HydrophobicContact CB-CB 4.13Å; E178-K181 PolarHBondContact O-N 3.35Å; E178-W182 VanDerWaalsContact O-CB 3.31Å; E178-W182 WeakPolarHBondContact O-CB 3.31Å; E178-W182 PolarHBondContact O-N 3.11Å
179P94.8Very high93.4Very high59 Ų5980.1 Ų80.138%0.38341%0.41SS..Hα-helixtrans-62.4-35.5-16920.4-30.7000114.8L171 P176 P177 L183L171-P179 HydrophobicContact CD1-CB 3.74Å; L171-P179 WeakPolarHBondContact CD1-O 3.4Å; L171-P179 HydrophobicContact CD2-CB 4.32Å; L171-P179 HydrophobicContact CG-CB 4.37Å; P176-P179 HydrophobicContact CG-CB 4.48Å; P177-P179 WeakPolarHBondContact O-CD 3.31Å; P179-L183 WeakPolarHBondContact O-CB 3.43Å; P179-L183 PolarHBondContact O-N 3.16Å
180L94.6Very high92.9Very high142 Ų14279 Ų7974%0.74341%0.405SS*.Hα-helixtrans-72.4-45178.8-65.1179.2000112.6E178 W182 L183 A184E178-L180 PolarHBondContact O-N 2.73Å; L180-W182 VanDerWaalsContact C-N 3.29Å; L180-W182 PolarHBondContact O-N 3.24Å; L180-L183 PolarHBondContact O-N 3.42Å; L180-A184 PolarHBondContact O-N 3.12Å
181K92Very high91.9Very high98 Ų9879.8 Ų79.843%0.42641%0.409SS..Hα-helixtrans-62.7-40.8175.9-173.9178.7178.2-1760110.8E178 S185E178-K181 HydrophobicContact CB-CB 4.13Å; E178-K181 PolarHBondContact O-N 3.35Å; K181-S185 WeakPolarHBondContact O-CB 3.42Å; K181-S185 PolarHBondContact O-N 3.21Å; K181-S185 PolarHBondContact O-OG 2.94Å
182W95.1Very high90.7Very high53 Ų5383.9 Ų83.920%0.20144%0.437CS..Hα-helixtrans-63.1-45.7173.5-174.897.8000111.6D170 L171 I174 P176 E178 L180 A184 S185 W186D170-W182 HydrophobicContact CB-CH2 3.76Å; L171-W182 HydrophobicContact CB-CE3 4.16Å; L171-W182 HydrophobicContact CB-CZ3 3.72Å; L171-W182 HydrophobicContact CD1-CD2 4.11Å; L171-W182 HydrophobicContact CD1-CE3 3.3Å; L171-W182 HydrophobicContact CD1-CZ3 3.79Å; L171-W182 HydrophobicContact CG-CE3 4.35Å; L171-W182 HydrophobicContact CG-CZ3 4.4Å; I174-W182 HydrophobicContact CB-CZ2 4.49Å; I174-W182 HydrophobicContact CD1-CH2 3.97Å; I174-W182 HydrophobicContact CD1-CZ2 3.26Å; I174-W182 HydrophobicContact CG1-CZ2 4.43Å; P176-W182 HydrophobicContact CB-CB 4.06Å; P176-W182 HydrophobicContact CB-CG 3.95Å; P176-W182 HydrophobicContact CG-CB 3.6Å; P176-W182 HydrophobicContact CG-CD2 3.98Å; P176-W182 HydrophobicContact CG-CG 3.54Å; E178-W182 VanDerWaalsContact O-CB 3.31Å; E178-W182 WeakPolarHBondContact O-CB 3.31Å; E178-W182 PolarHBondContact O-N 3.11Å; L180-W182 VanDerWaalsContact C-N 3.29Å; L180-W182 PolarHBondContact O-N 3.24Å; W182-A184 PolarHBondContact O-N 3.13Å; W182-S185 PolarHBondContact O-N 3.26Å; W182-W186 HydrophobicContact CD2-CB 4.42Å; W182-W186 HydrophobicContact CE3-CB 4Å; W182-W186 HydrophobicContact CH2-CB 3.91Å; W182-W186 AromaticContact CH2-CD1 3.06Å; W182-W186 HydrophobicContact CH2-CD2 4.46Å; W182-W186 AromaticContact CH2-CG 3.56Å; W182-W186 HydrophobicContact CH2-CG 3.56Å; W182-W186 AromaticContact CH2-NE1 3.69Å; W182-W186 HydrophobicContact CZ2-CB 4.27Å; W182-W186 AromaticContact CZ2-CD1 3.37Å; W182-W186 HydrophobicContact CZ2-CG 4.1Å; W182-W186 HydrophobicContact CZ3-CB 3.75Å; W182-W186 AromaticContact CZ3-CD1 3.78Å; W182-W186 AromaticContact CZ3-CG 3.79Å; W182-W186 HydrophobicContact CZ3-CG 3.79Å; W182-W186 VanDerWaalsContact O-CB 3.32Å; W182-W186 WeakPolarHBondContact O-CB 3.37Å; W182-W186 PolarHBondContact O-N 3.24Å
183L95Very high89.4Confident25 Ų2582.9 Ų82.913%0.13143%0.428CS..Hα-helixtrans-62-45.7179.9179.262.1000111.3A167 L168 P179 L180 S185 W186 L187A167-L183 HydrophobicContact CB-CD1 3.48Å; A167-L183 VanDerWaalsContact CB-CD1 3.48Å; L168-L183 HydrophobicContact CD2-CD2 4.28Å; P179-L183 WeakPolarHBondContact O-CB 3.43Å; P179-L183 PolarHBondContact O-N 3.16Å; L180-L183 PolarHBondContact O-N 3.42Å; L183-S185 PolarHBondContact O-N 3.31Å; L183-W186 PolarHBondContact O-N 2.97Å; L183-L187 HydrophobicContact CD1-CD1 4.21Å; L183-L187 HydrophobicContact CD1-CG 4.16Å; L183-L187 HydrophobicContact CG-CD1 4.05Å; L183-L187 HydrophobicContact CG-CG 4.43Å; L183-L187 WeakPolarHBondContact O-CB 3.21Å; L183-L187 WeakPolarHBondContact O-CG 3.42Å; L183-L187 PolarHBondContact O-N 3.04Å
184A91.9Very high87.9Confident51 Ų5183.1 Ų83.142%0.42142%0.424SS..Hα-helixtrans-59.2-46.8175.300000111.5L180 W182 W186 L187 W188L180-A184 PolarHBondContact O-N 3.12Å; W182-A184 PolarHBondContact O-N 3.13Å; A184-W186 VanDerWaalsContact C-N 3.31Å; A184-W186 PolarHBondContact O-N 3.22Å; A184-L187 PolarHBondContact O-N 3.09Å; A184-W188 VanDerWaalsContact O-CB 3.32Å; A184-W188 WeakPolarHBondContact O-CB 3.46Å; A184-W188 PolarHBondContact O-N 3.24Å
185S91Very high86.1Confident24 Ų2482.5 Ų82.517%0.16844%0.442CS..Hα-helixtrans-62.9-37.3176.4-57.20000112.4K181 W182 L183 R189K181-S185 WeakPolarHBondContact O-CB 3.42Å; K181-S185 PolarHBondContact O-N 3.21Å; K181-S185 PolarHBondContact O-OG 2.94Å; W182-S185 PolarHBondContact O-N 3.26Å; L183-S185 PolarHBondContact O-N 3.31Å; S185-R189 WeakPolarHBondContact O-CB 3.07Å; S185-R189 WeakPolarHBondContact O-CD 3.35Å; S185-R189 WeakPolarHBondContact O-CG 3.23Å; S185-R189 PolarHBondContact O-N 3.01Å
186W93.7Very high84.1Confident21 Ų2183.8 Ų83.88%0.0844%0.444CS..Hα-helixtrans-69.1-48.2178.5-173.5102.7000110.9I163 K166 A167 D170 W182 L183 A184 W188 R189 N190I163-W186 HydrophobicContact CG1-CH2 4.43Å; I163-W186 HydrophobicContact CG1-CZ3 3.86Å; K166-W186 HydrophobicContact CB-CH2 3.88Å; K166-W186 HydrophobicContact CB-CZ2 4.35Å; K166-W186 HydrophobicContact CD-CH2 3.82Å; K166-W186 HydrophobicContact CD-CZ2 3.98Å; K166-W186 HydrophobicContact CG-CH2 3.74Å; K166-W186 HydrophobicContact CG-CZ2 3.78Å; A167-W186 HydrophobicContact CB-CD2 3.92Å; A167-W186 HydrophobicContact CB-CE3 3.25Å; A167-W186 HydrophobicContact CB-CH2 3.94Å; A167-W186 HydrophobicContact CB-CZ2 4.47Å; A167-W186 HydrophobicContact CB-CZ3 3.3Å; D170-W186 PolarHBondContact OD2-NE1 3.07Å; W182-W186 HydrophobicContact CD2-CB 4.42Å; W182-W186 HydrophobicContact CE3-CB 4Å; W182-W186 HydrophobicContact CH2-CB 3.91Å; W182-W186 AromaticContact CH2-CD1 3.06Å; W182-W186 HydrophobicContact CH2-CD2 4.46Å; W182-W186 AromaticContact CH2-CG 3.56Å; W182-W186 HydrophobicContact CH2-CG 3.56Å; W182-W186 AromaticContact CH2-NE1 3.69Å; W182-W186 HydrophobicContact CZ2-CB 4.27Å; W182-W186 AromaticContact CZ2-CD1 3.37Å; W182-W186 HydrophobicContact CZ2-CG 4.1Å; W182-W186 HydrophobicContact CZ3-CB 3.75Å; W182-W186 AromaticContact CZ3-CD1 3.78Å; W182-W186 AromaticContact CZ3-CG 3.79Å; W182-W186 HydrophobicContact CZ3-CG 3.79Å; W182-W186 VanDerWaalsContact O-CB 3.32Å; W182-W186 WeakPolarHBondContact O-CB 3.37Å; W182-W186 PolarHBondContact O-N 3.24Å; L183-W186 PolarHBondContact O-N 2.97Å; A184-W186 VanDerWaalsContact C-N 3.31Å; A184-W186 PolarHBondContact O-N 3.22Å; W186-W188 VanDerWaalsContact C-N 3.28Å; W186-W188 PolarHBondContact O-N 3Å; W186-R189 PolarHBondContact O-N 3.38Å; W186-N190 HydrophobicContact CD2-CB 4.43Å; W186-N190 HydrophobicContact CE3-CB 4.02Å; W186-N190 HydrophobicContact CH2-CB 3.89Å; W186-N190 HydrophobicContact CZ2-CB 4.34Å; W186-N190 HydrophobicContact CZ3-CB 3.7Å; W186-N190 WeakPolarHBondContact O-CB 3.42Å; W186-N190 PolarHBondContact O-N 3.16Å; W186-N190 PolarHBondContact O-ND2 3.36Å
187L91.6Very high81.7Confident54 Ų5485 Ų8528%0.28345%0.453SS..Hα-helixtrans-58.3-46.2177.2-73.7171.2000109.5I163 A167 L183 A184 R189 N190 D191I163-L187 HydrophobicContact CG1-CD2 4.09Å; A167-L187 HydrophobicContact CB-CD2 3.93Å; A167-L187 HydrophobicContact CB-CG 4.45Å; L183-L187 HydrophobicContact CD1-CD1 4.21Å; L183-L187 HydrophobicContact CD1-CG 4.16Å; L183-L187 HydrophobicContact CG-CD1 4.05Å; L183-L187 HydrophobicContact CG-CG 4.43Å; L183-L187 WeakPolarHBondContact O-CB 3.21Å; L183-L187 WeakPolarHBondContact O-CG 3.42Å; L183-L187 PolarHBondContact O-N 3.04Å; A184-L187 PolarHBondContact O-N 3.09Å; L187-R189 PolarHBondContact O-N 2.74Å; L187-N190 CarbonylContact O-C 3.48Å; L187-N190 PolarHBondContact O-N 2.83Å; L187-N190 VanDerWaalsContact O-N 3.14Å; L187-D191 PolarHBondContact O-N 3.44Å
188W84.1Confident79.7Confident60 Ų6084.2 Ų84.223%0.22745%0.446CS..Hα-helixtrans-56-46.7175.3-175.3-97.9000113.6A184 W186 N190 M200A184-W188 VanDerWaalsContact O-CB 3.32Å; A184-W188 WeakPolarHBondContact O-CB 3.46Å; A184-W188 PolarHBondContact O-N 3.24Å; W186-W188 VanDerWaalsContact C-N 3.28Å; W186-W188 PolarHBondContact O-N 3Å; W188-N190 VanDerWaalsContact C-N 3.25Å; W188-N190 PolarHBondContact O-N 3.42Å; W188-M200 HydrophobicContact CB-CE 4.33Å; W188-M200 HydrophobicContact CD2-CE 3.14Å; W188-M200 HydrophobicContact CD2-CG 4.21Å; W188-M200 HydrophobicContact CD2-SD 3.42Å; W188-M200 HydrophobicContact CE3-CE 3.61Å; W188-M200 HydrophobicContact CE3-CG 4.36Å; W188-M200 HydrophobicContact CE3-SD 3.27Å; W188-M200 HydrophobicContact CG-CE 3.42Å; W188-M200 VanDerWaalsContact CG-CE 3.42Å; W188-M200 HydrophobicContact CG-SD 4.32Å; W188-M200 HydrophobicContact CH2-CB 3.28Å; W188-M200 HydrophobicContact CH2-CE 4.36Å; W188-M200 HydrophobicContact CH2-CG 3.44Å; W188-M200 VanDerWaalsContact CH2-CG 3.44Å; W188-M200 HydrophobicContact CH2-SD 3.37Å; W188-M200 WeakPolarHBondContact CH2-SD 3.43Å; W188-M200 HydrophobicContact CZ2-CB 3.38Å; W188-M200 HydrophobicContact CZ2-CE 3.94Å; W188-M200 HydrophobicContact CZ2-CG 3.16Å; W188-M200 HydrophobicContact CZ2-SD 3.45Å; W188-M200 WeakPolarHBondContact CZ2-SD 3.34Å; W188-M200 HydrophobicContact CZ3-CB 4.07Å; W188-M200 HydrophobicContact CZ3-CE 4.18Å; W188-M200 HydrophobicContact CZ3-CG 4Å; W188-M200 HydrophobicContact CZ3-SD 3.23Å; W188-M200 WeakPolarHBondContact CZ3-SD 3.23Å
189R86.3Confident77.5Confident185 Ų18585 Ų8570%0.69845%0.452SS*.Hα-helixtrans-72-19.2-179-71.5168.7-170.9169.43.3113.3S185 W186 L187S185-R189 WeakPolarHBondContact O-CB 3.07Å; S185-R189 WeakPolarHBondContact O-CD 3.35Å; S185-R189 WeakPolarHBondContact O-CG 3.23Å; S185-R189 PolarHBondContact O-N 3.01Å; W186-R189 PolarHBondContact O-N 3.38Å; L187-R189 PolarHBondContact O-N 2.74Å
190N85.8Confident75.3Confident61 Ų6183.7 Ų83.733%0.32644%0.442SS..Hα-helixtrans-112.44.5-176.8-71-94.5000113.1I163 W186 L187 W188 P192I163-N190 HydrophobicContact CD1-CB 4.43Å; I163-N190 VanDerWaalsContact CD1-O 3.3Å; I163-N190 WeakPolarHBondContact CD1-O 3.38Å; W186-N190 HydrophobicContact CD2-CB 4.43Å; W186-N190 HydrophobicContact CE3-CB 4.02Å; W186-N190 HydrophobicContact CH2-CB 3.89Å; W186-N190 HydrophobicContact CZ2-CB 4.34Å; W186-N190 HydrophobicContact CZ3-CB 3.7Å; W186-N190 WeakPolarHBondContact O-CB 3.42Å; W186-N190 PolarHBondContact O-N 3.16Å; W186-N190 PolarHBondContact O-ND2 3.36Å; L187-N190 CarbonylContact O-C 3.48Å; L187-N190 PolarHBondContact O-N 2.83Å; L187-N190 VanDerWaalsContact O-N 3.14Å; W188-N190 VanDerWaalsContact C-N 3.25Å; W188-N190 PolarHBondContact O-N 3.42Å; N190-P192 WeakPolarHBondContact O-CD 3.16Å
191D76.1Confident73.3Confident55 Ų5582.8 Ų82.829%0.29444%0.438SS..  trans-61.6119.6176.9-171.7-13.2000110L187 D193 R194L187-D191 PolarHBondContact O-N 3.44Å; D191-D193 PolarHBondContact O-N 3.47Å; D191-D193 PolarHBondContact OD1-N 2.89Å; D191-R194 PolarHBondContact O-N 2.98Å
192P70.4Confident71.3Confident111 Ų11184.5 Ų84.572%0.72145%0.452SS*.THydrogen-bonded Turntrans-59.7-31.8179.2-20.732.1000113N190N190-P192 WeakPolarHBondContact O-CD 3.16Å
193D67.7Low69.1Low95 Ų9590.3 Ų90.351%0.50848%0.475SS..THydrogen-bonded Turntrans-99.320.6-172.4-73.1-36.3000113.1D191 G195 Q196D191-D193 PolarHBondContact O-N 3.47Å; D191-D193 PolarHBondContact OD1-N 2.89Å; D193-G195 PolarHBondContact O-N 3.38Å; D193-Q196 PolarHBondContact O-N 3.22Å
194R63.4Low66.8Low160 Ų16093.3 Ų93.360%0.60448%0.484SS*.THydrogen-bonded Turntrans-46-28.4-177.3-169.5179.8-178.9-130.8-4.1114.9D191 Q196D191-R194 PolarHBondContact O-N 2.98Å; R194-Q196 VanDerWaalsContact C-N 3.28Å; R194-Q196 PolarHBondContact O-N 3Å
195G56.7Low64.9Low83 Ų8398.2 Ų98.286%0.85650%0.499SS*.THydrogen-bonded Turntrans-71.6-12.5176.900000115.8D193D193-G195 PolarHBondContact O-N 3.38Å
196Q51.4Low62.8Low158 Ų158102.6 Ų102.674%0.73852%0.52SS*.THydrogen-bonded Turntrans-115.7-13.3-173.7-61.7-176.154.900113.8D193 R194 T198D193-Q196 PolarHBondContact O-N 3.22Å; R194-Q196 VanDerWaalsContact C-N 3.28Å; R194-Q196 PolarHBondContact O-N 3Å; Q196-T198 PolarHBondContact O-N 2.98Å
197S46.2Very low60.6Low42 Ų42104.1 Ų104.129%0.29453%0.531SS..  trans-82.3108.3-177.3-173.90000111.5
198T50.9Low58.5Low117 Ų117108.8 Ų108.872%0.71855%0.552SS**  trans-89.7-4.6177.451.20000113.9Q196 M200Q196-T198 PolarHBondContact O-N 2.98Å; T198-M200 PolarHBondContact O-N 2.92Å
199L48.5Very low56.8Low130 Ų130109.8 Ų109.868%0.68157%0.568SS**THydrogen-bonded Turntrans-62.5-13.7-177.8-82.7162.8000114
200M48.9Very low54.8Low33 Ų33107.6 Ų107.616%0.16357%0.569CS.*THydrogen-bonded Turntrans-94-27.3-166.5-148.770.9167.900115.5W188 T198 D202 Y203 W204W188-M200 HydrophobicContact CB-CE 4.33Å; W188-M200 HydrophobicContact CD2-CE 3.14Å; W188-M200 HydrophobicContact CD2-CG 4.21Å; W188-M200 HydrophobicContact CD2-SD 3.42Å; W188-M200 HydrophobicContact CE3-CE 3.61Å; W188-M200 HydrophobicContact CE3-CG 4.36Å; W188-M200 HydrophobicContact CE3-SD 3.27Å; W188-M200 HydrophobicContact CG-CE 3.42Å; W188-M200 VanDerWaalsContact CG-CE 3.42Å; W188-M200 HydrophobicContact CG-SD 4.32Å; W188-M200 HydrophobicContact CH2-CB 3.28Å; W188-M200 HydrophobicContact CH2-CE 4.36Å; W188-M200 HydrophobicContact CH2-CG 3.44Å; W188-M200 VanDerWaalsContact CH2-CG 3.44Å; W188-M200 HydrophobicContact CH2-SD 3.37Å; W188-M200 WeakPolarHBondContact CH2-SD 3.43Å; W188-M200 HydrophobicContact CZ2-CB 3.38Å; W188-M200 HydrophobicContact CZ2-CE 3.94Å; W188-M200 HydrophobicContact CZ2-CG 3.16Å; W188-M200 HydrophobicContact CZ2-SD 3.45Å; W188-M200 WeakPolarHBondContact CZ2-SD 3.34Å; W188-M200 HydrophobicContact CZ3-CB 4.07Å; W188-M200 HydrophobicContact CZ3-CE 4.18Å; W188-M200 HydrophobicContact CZ3-CG 4Å; W188-M200 HydrophobicContact CZ3-SD 3.23Å; W188-M200 WeakPolarHBondContact CZ3-SD 3.23Å; T198-M200 PolarHBondContact O-N 2.92Å; M200-D202 PolarHBondContact O-N 3.07Å; M200-Y203 PolarHBondContact O-N 3.05Å; M200-W204 HydrophobicContact CE-CD2 3.77Å; M200-W204 HydrophobicContact CE-CG 3.68Å; M200-W204 HydrophobicContact CE-CZ2 3.83Å; M200-W204 VanDerWaalsContact CG-CD1 3.45Å; M200-W204 HydrophobicContact CG-CG 4.26Å; M200-W204 PolarHBondContact O-N 3.07Å; M200-W204 HydrophobicContact SD-CG 4.21Å; M200-W204 PolarHBondContact SD-NE1 3.18Å
201D52.2Low52.7Low123 Ų123112.3 Ų112.366%0.65859%0.589SS**Hα-helixtrans-60.8-31.9-177.8-72.6-11000109.7
202D50.5Low51Low134 Ų134119.7 Ų119.772%0.71763%0.628SS**Hα-helixtrans-83.1-29.4-178.7-62.3-18.5000114.6M200M200-D202 PolarHBondContact O-N 3.07Å
203Y48.2Very low50Low174 Ų174120.1 Ų120.168%0.68262%0.624SS**Hα-helixtrans-91.8-19.2-170.8-95.9-81000115M200M200-Y203 PolarHBondContact O-N 3.05Å
204W47.7Very low49Very low89 Ų89121.4 Ų121.434%0.33763%0.63SS.*Hα-helixtrans-116.3-9.7-170.1-63.180.7000115.4M200 D206 V207 Q208M200-W204 HydrophobicContact CE-CD2 3.77Å; M200-W204 HydrophobicContact CE-CG 3.68Å; M200-W204 HydrophobicContact CE-CZ2 3.83Å; M200-W204 VanDerWaalsContact CG-CD1 3.45Å; M200-W204 HydrophobicContact CG-CG 4.26Å; M200-W204 PolarHBondContact O-N 3.07Å; M200-W204 HydrophobicContact SD-CG 4.21Å; M200-W204 PolarHBondContact SD-NE1 3.18Å; W204-D206 PolarHBondContact O-N 3.39Å; W204-V207 HydrophobicContact CD2-CG2 4.36Å; W204-V207 HydrophobicContact CE3-CB 3.76Å; W204-V207 HydrophobicContact CE3-CG1 4Å; W204-V207 HydrophobicContact CE3-CG2 3.74Å; W204-V207 HydrophobicContact CZ3-CB 4.25Å; W204-V207 HydrophobicContact CZ3-CG1 4.04Å; W204-V207 HydrophobicContact CZ3-CG2 4.07Å; W204-V207 PolarHBondContact O-N 2.98Å; W204-Q208 PolarHBondContact O-N 2.98Å
205E51Low48.3Very low154 Ų154119.3 Ų119.372%0.7263%0.631SS**Hα-helixtrans-58.3-37.5161.8-73.5-168.516400110.5V207E205-V207 PolarHBondContact O-N 3.32Å
206D48.5Very low47.8Very low115 Ų115121.4 Ų121.462%0.61562%0.618SS**Hα-helixtrans-67.3-36177.4-78.7-15.2000113.2W204 S209W204-D206 PolarHBondContact O-N 3.39Å; D206-S209 PolarHBondContact O-N 3.09Å; D206-S209 PolarHBondContact O-OG 3.46Å
207V47.1Very low47.5Very low53 Ų53119.1 Ų119.132%0.32161%0.61SS.*Hα-helixtrans-77.7-33.7-175.9-176.60000111.9W204 E205 S209 I210W204-V207 HydrophobicContact CD2-CG2 4.36Å; W204-V207 HydrophobicContact CE3-CB 3.76Å; W204-V207 HydrophobicContact CE3-CG1 4Å; W204-V207 HydrophobicContact CE3-CG2 3.74Å; W204-V207 HydrophobicContact CZ3-CB 4.25Å; W204-V207 HydrophobicContact CZ3-CG1 4.04Å; W204-V207 HydrophobicContact CZ3-CG2 4.07Å; W204-V207 PolarHBondContact O-N 2.98Å; E205-V207 PolarHBondContact O-N 3.32Å; V207-S209 PolarHBondContact O-N 3.39Å; V207-I210 PolarHBondContact O-N 3.45Å
208Q46.6Very low47.6Very low152 Ų152124.3 Ų124.371%0.7163%0.631SS**Hα-helixtrans-69.1-19.7175.9-71.3-168.8-3.800113.1W204 I210W204-Q208 PolarHBondContact O-N 2.98Å; Q208-I210 VanDerWaalsContact C-N 3.25Å; Q208-I210 PolarHBondContact O-N 2.7Å
209S49.1Very low47.4Very low81 Ų81124.8 Ų124.857%0.56663%0.625SS**THydrogen-bonded Turntrans-72.8-13.2176.777.20000114.6D206 V207D206-S209 PolarHBondContact O-N 3.09Å; D206-S209 PolarHBondContact O-OG 3.46Å; V207-S209 PolarHBondContact O-N 3.39Å
210I44.2Very low47.3Very low140 Ų140124.4 Ų124.472%0.71862%0.621SS**THydrogen-bonded Turntrans-97.5-14.4-177.2-60.1177.2000112.2V207 Q208V207-I210 PolarHBondContact O-N 3.45Å; Q208-I210 VanDerWaalsContact C-N 3.25Å; Q208-I210 PolarHBondContact O-N 2.7Å
211E41.2Very low47.2Very low159 Ų159132 Ų13274%0.74366%0.659SS**  trans-10312.8-179.5-72.3-172.9171.900114.7
212N39.7Very low46.7Very low210 Ų210132.8 Ų132.8100%1.12366%0.659SS**  trans-115.70166.4-74-37.8000111.3

Retrieved 212 of 212 residues in 134.7 ms (Link to these results)

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