A0A077YXJ3_TRITR Loading...

Adenylosuccinate synthetase

Plays an important role in the de novo pathway and in the salvage pathway of purine nucleotide biosynthesis. Catalyzes the first commited step in the biosynthesis of AMP from IMP.

AlphaFold DB , UniProt , Accession A0A077YXJ3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 320 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
1M73.2Confident84.5Confident93 Ų93112.4 Ų112.446%0.45856%0.557SS.*  0-50.10-65.2-174.1-72.500112.1N4 S5 I6 T7 W12 L16 L113M1-N4 PolarHBondContact O-N 3.09Å; M1-S5 PolarHBondContact O-N 3.25Å; M1-I6 PolarHBondContact O-N 2.86Å; M1-T7 HydrophobicContact CB-CG2 4Å; M1-W12 HydrophobicContact CE-CH2 3.77Å; M1-W12 HydrophobicContact CE-CZ3 4.17Å; M1-W12 HydrophobicContact SD-CE3 4.2Å; M1-W12 HydrophobicContact SD-CH2 3.46Å; M1-W12 WeakPolarHBondContact SD-CH2 2.91Å; M1-W12 HydrophobicContact SD-CZ3 3.27Å; M1-W12 WeakPolarHBondContact SD-CZ3 3.4Å; M1-L16 HydrophobicContact SD-CD2 3.81Å; M1-L113 HydrophobicContact CE-CD1 4.35Å
2E78.6Confident85Confident157 Ų157104.6 Ų104.673%0.73452%0.516SS*.G310 helixtrans-60.7-45.1-179.8-67.2169.118000113.8N4 S5 T7E2-N4 PolarHBondContact O-N 2.58Å; E2-N4 VanDerWaalsContact O-N 3.09Å; E2-S5 PolarHBondContact O-N 2.88Å; E2-T7 HydrophobicContact CG-CG2 4.18Å
3K80.9Confident85.1Confident200 Ų200102.8 Ų102.887%0.8751%0.506SS*.G310 helixtrans-51-36.1177.2-175.9177.9177.8179.40113.3
4N81.2Confident85.1Confident116 Ų116112.1 Ų112.162%0.6253%0.533SS*.G310 helixtrans-97.612.1-178-62-13.8000112.5M1 E2 I6M1-N4 PolarHBondContact O-N 3.09Å; E2-N4 PolarHBondContact O-N 2.58Å; E2-N4 VanDerWaalsContact O-N 3.09Å; N4-I6 HydrophobicContact CB-CD1 4.19Å; N4-I6 HydrophobicContact CB-CG1 4.05Å; N4-I6 PolarHBondContact O-N 3.05Å
5S87.2Confident85.3Confident50 Ų50114.7 Ų114.735%0.3554%0.535SS..THydrogen-bonded Turntrans55.319.1-178-66.20000115.3M1 E2 T7 K8M1-S5 PolarHBondContact O-N 3.25Å; E2-S5 PolarHBondContact O-N 2.88Å; S5-T7 PolarHBondContact O-N 3.35Å; S5-K8 WeakPolarHBondContact O-CB 3.32Å; S5-K8 PolarHBondContact O-N 2.87Å
6I84.6Confident85.8Confident57 Ų57111.3 Ų111.329%0.29252%0.521SS..G310 helixtrans-60.5-37.1178.6-63.4172.7000110.2M1 N4 K8 M9 W12M1-I6 PolarHBondContact O-N 2.86Å; N4-I6 HydrophobicContact CB-CD1 4.19Å; N4-I6 HydrophobicContact CB-CG1 4.05Å; N4-I6 PolarHBondContact O-N 3.05Å; I6-K8 PolarHBondContact O-N 3.11Å; I6-K8 VanDerWaalsContact O-N 3.15Å; I6-M9 WeakPolarHBondContact O-CB 3.46Å; I6-M9 PolarHBondContact O-N 3.45Å; I6-W12 HydrophobicContact CG2-CB 4.05Å; I6-W12 HydrophobicContact CG2-CD2 4.26Å; I6-W12 HydrophobicContact CG2-CE3 4.16Å; I6-W12 HydrophobicContact CG2-CG 4.25Å
7T85.5Confident86.2Confident56 Ų56108.5 Ų108.534%0.34451%0.51SS..G310 helixtrans-64.8-16.6179.553.50000113.6M1 E2 S5 W12M1-T7 HydrophobicContact CB-CG2 4Å; E2-T7 HydrophobicContact CG-CG2 4.18Å; S5-T7 PolarHBondContact O-N 3.35Å; T7-W12 HydrophobicContact CG2-CZ2 4.04Å
8K89.8Confident86.6Confident170 Ų170105 Ų10574%0.73950%0.495SS*.G310 helixtrans-84.6-13.3175.3-57.4-176.5-178.3170.40112.9S5 I6S5-K8 WeakPolarHBondContact O-CB 3.32Å; S5-K8 PolarHBondContact O-N 2.87Å; I6-K8 PolarHBondContact O-N 3.11Å; I6-K8 VanDerWaalsContact O-N 3.15Å
9M90.6Very high87.1Confident96 Ų96100.9 Ų100.947%0.47348%0.479SS..SBendtrans-81.6126.7-179.7-56.317883.800110.8I6 G11 W12I6-M9 WeakPolarHBondContact O-CB 3.46Å; I6-M9 PolarHBondContact O-N 3.45Å; M9-G11 PolarHBondContact O-N 3.39Å; M9-W12 HydrophobicContact CB-CB 4.29Å; M9-W12 VanDerWaalsContact O-CD1 3.24Å; M9-W12 PolarHBondContact O-N 2.81Å
10K90.4Very high87.4Confident208 Ų20898.5 Ų98.590%0.90447%0.467SS*.THydrogen-bonded Turntrans-55.6129.1177.4-169.7175.6-180178.80111.2W12K10-W12 VanDerWaalsContact C-N 3.3Å; K10-W12 PolarHBondContact O-N 2.81Å
11G87.7Confident87.6Confident33 Ų3398.9 Ų98.934%0.3446%0.464SS..THydrogen-bonded Turntrans67.421.2175.300000115.6M9 Q13 R14M9-G11 PolarHBondContact O-N 3.39Å; G11-Q13 PolarHBondContact O-N 3.48Å; G11-R14 PolarHBondContact O-N 2.91Å; G11-R14 VanDerWaalsContact O-N 3.17Å
12W90.7Very high88.5Confident19 Ų1996.4 Ų96.47%0.07246%0.458CS..G310 helixtrans-56.9-32.1179.771.4-94000113.5M1 I6 T7 M9 K10 R14 R15 L16 L113 L115M1-W12 HydrophobicContact CE-CH2 3.77Å; M1-W12 HydrophobicContact CE-CZ3 4.17Å; M1-W12 HydrophobicContact SD-CE3 4.2Å; M1-W12 HydrophobicContact SD-CH2 3.46Å; M1-W12 WeakPolarHBondContact SD-CH2 2.91Å; M1-W12 HydrophobicContact SD-CZ3 3.27Å; M1-W12 WeakPolarHBondContact SD-CZ3 3.4Å; I6-W12 HydrophobicContact CG2-CB 4.05Å; I6-W12 HydrophobicContact CG2-CD2 4.26Å; I6-W12 HydrophobicContact CG2-CE3 4.16Å; I6-W12 HydrophobicContact CG2-CG 4.25Å; T7-W12 HydrophobicContact CG2-CZ2 4.04Å; M9-W12 HydrophobicContact CB-CB 4.29Å; M9-W12 VanDerWaalsContact O-CD1 3.24Å; M9-W12 PolarHBondContact O-N 2.81Å; K10-W12 VanDerWaalsContact C-N 3.3Å; K10-W12 PolarHBondContact O-N 2.81Å; W12-R14 PolarHBondContact O-N 3.43Å; W12-R15 WeakPolarHBondContact O-CA 3.26Å; W12-R15 PolarHBondContact O-N 3.31Å; W12-L16 HydrophobicContact CZ3-CD2 4.18Å; W12-L16 PolarHBondContact O-N 3.11Å; W12-L113 HydrophobicContact CH2-CD1 3.8Å; W12-L113 HydrophobicContact CH2-CD2 4.26Å; W12-L113 HydrophobicContact CZ2-CD2 4.36Å; W12-L115 HydrophobicContact CZ3-CD1 4.25Å
13Q86.1Confident89Confident82 Ų8293 Ų9338%0.38344%0.442SS..G310 helixtrans-60.3-29.5-179.7-59.289.1-24.400112.2G11 R15 L113 L115G11-Q13 PolarHBondContact O-N 3.48Å; Q13-R15 VanDerWaalsContact C-N 3.27Å; Q13-R15 PolarHBondContact O-N 2.98Å; Q13-L113 HydrophobicContact CG-CD2 3.93Å; Q13-L115 WeakPolarHBondContact O-CD2 3.21Å
14R84.8Confident89.1Confident233 Ų23384 Ų8488%0.87940%0.403SS*.G310 helixtrans-83.4-4.1178-58.8-176.1-175.2-175.50.3113.2G11 W12G11-R14 PolarHBondContact O-N 2.91Å; G11-R14 VanDerWaalsContact O-N 3.17Å; W12-R14 PolarHBondContact O-N 3.43Å
15R88.9Confident88.7Confident151 Ų15184.4 Ų84.457%0.5740%0.4SS*.G310 helixtrans-117.32.6-173.8-59.7-173.1-66.8131.53.9112.8W12 Q13W12-R15 WeakPolarHBondContact O-CA 3.26Å; W12-R15 PolarHBondContact O-N 3.31Å; Q13-R15 VanDerWaalsContact C-N 3.27Å; Q13-R15 PolarHBondContact O-N 2.98Å
16L92.4Very high87.7Confident60 Ų6082 Ų8231%0.31438%0.383SS..  trans-121.8128.9174.7179.161.6000108.8M1 W12 L115M1-L16 HydrophobicContact SD-CD2 3.81Å; W12-L16 HydrophobicContact CZ3-CD2 4.18Å; W12-L16 PolarHBondContact O-N 3.11Å; L16-L115 HydrophobicContact CB-CD2 4.39Å; L16-L115 HydrophobicContact CD2-CD1 4.06Å; L16-L115 WeakPolarHBondContact O-CD2 3.34Å
17I92.9Very high86.2Confident64 Ų6485.8 Ų85.833%0.32840%0.399SS..  trans-134.5135.7177.6-61.1174.2000107.1L115 C117 T119 Y122I17-L115 CarbonylContact C-O 3.49Å; I17-L115 WeakPolarHBondContact CA-O 3.22Å; I17-C117 WeakPolarHBondContact CG2-SG 3.33Å; I17-T119 HydrophobicContact CG2-CG2 3.88Å; I17-Y122 HydrophobicContact CD1-CD1 4.23Å; I17-Y122 HydrophobicContact CD1-CD2 3.82Å; I17-Y122 HydrophobicContact CD1-CE1 3.72Å; I17-Y122 HydrophobicContact CD1-CE2 3.23Å; I17-Y122 HydrophobicContact CD1-CG 4.29Å; I17-Y122 WeakPolarHBondContact CD1-OH 2.88Å
18I94.1Very high84.3Confident45 Ų4586.5 Ų86.523%0.23140%0.401CS..EExtended strand (participates in β ladder)trans-117.9132.4-176.9-61.1172000108E20 I64 L110 L115 V116 C117I18-E20 PolarHBondContact O-N 3.29Å; I18-I64 HydrophobicContact CG2-CG1 4.11Å; I18-I64 HydrophobicContact CG2-CG2 4.22Å; I18-L110 HydrophobicContact CD1-CD2 3.64Å; I18-L115 HydrophobicContact CD1-CB 4.2Å; I18-L115 HydrophobicContact CD1-CD1 4.35Å; I18-L115 HydrophobicContact CG1-CB 4.45Å; I18-L115 PolarHBondContact N-O 3.04Å; I18-V116 WeakPolarHBondContact O-CA 3.5Å; I18-C117 PolarHBondContact O-N 3.23Å
19S95.4Very high82Confident28 Ų2884.7 Ų84.720%0.19639%0.39CS..EExtended strand (participates in β ladder)trans-67.9128.3175.2-167.40000110.8R21 A22 T119S19-R21 PolarHBondContact O-N 2.74Å; S19-R21 VanDerWaalsContact O-N 3.15Å; S19-R21 PolarHBondContact OG-N 3.4Å; S19-A22 WeakPolarHBondContact O-CB 3.43Å; S19-A22 PolarHBondContact O-N 2.81Å; S19-A22 VanDerWaalsContact O-N 3.12Å; S19-T119 VanDerWaalsContact CA-CG2 3.46Å; S19-T119 WeakPolarHBondContact CB-OG1 3.2Å; S19-T119 PolarHBondContact OG-OG1 3.3Å
20E93.8Very high79.4Confident52 Ų5287.7 Ų87.724%0.24340%0.403CS..THydrogen-bonded Turntrans-57.1-24.6167.874.1-169.9172.500112.3I18 A65 V116 C117 N118I18-E20 PolarHBondContact O-N 3.29Å; E20-A65 HydrophobicContact CB-CB 4.09Å; E20-A65 VanDerWaalsContact O-CB 3.29Å; E20-A65 WeakPolarHBondContact O-CB 3.4Å; E20-A65 PolarHBondContact O-N 2.88Å; E20-V116 HydrophobicContact CB-CG1 3.86Å; E20-C117 PolarHBondContact N-O 3.16Å; E20-N118 WeakPolarHBondContact OE1-CB 3.43Å
21R92.2Very high76.8Confident107 Ų10782.7 Ų82.740%0.40439%0.385SS..THydrogen-bonded Turntrans-88.1-9-178.9-63.5-178.7-177.367.320.8113.6S19 N118S19-R21 PolarHBondContact O-N 2.74Å; S19-R21 VanDerWaalsContact O-N 3.15Å; S19-R21 PolarHBondContact OG-N 3.4Å; R21-N118 PolarHBondContact NH1-OD1 3.13Å
22A91.7Very high74Confident40 Ų4086.3 Ų86.333%0.33140%0.4SS..SBendtrans-63.5138.9177.500000110S19 R63 I64S19-A22 WeakPolarHBondContact O-CB 3.43Å; S19-A22 PolarHBondContact O-N 2.81Å; S19-A22 VanDerWaalsContact O-N 3.12Å; A22-R63 CarbonylContact O-C 3.35Å; A22-R63 VanDerWaalsContact O-CA 3.23Å; A22-R63 WeakPolarHBondContact O-CA 3.43Å; A22-I64 HydrophobicContact CB-CG1 4.05Å; A22-I64 WeakPolarHBondContact O-CG1 2.94Å; A22-I64 PolarHBondContact O-N 3.44Å
23H88.4Confident71.1Confident86 Ų8692.8 Ų92.840%0.39844%0.436SS..BIsolated β-bridgetrans-76.8145.1175-69.8-145.7000110.1K25 E61 L62H23-K25 PolarHBondContact O-N 3.25Å; H23-E61 IonicContact CE1-OE1 3.89Å; H23-E61 VanDerWaalsContact ND1-CB 3.34Å; H23-E61 WeakPolarHBondContact ND1-CB 3.37Å; H23-L62 CarbonylContact C-O 3.54Å; H23-L62 WeakPolarHBondContact CA-O 3.42Å
24V83.5Confident68.4Low10 Ų1092.1 Ų92.16%0.06145%0.452CS..PPolyproline II helixtrans-76.9122178.3178.20000109.6Y26 R51 L62 I64 L67 Y103V24-Y26 WeakPolarHBondContact O-CE2 3.38Å; V24-R51 PolarHBondContact O-NH1 2.88Å; V24-L62 HydrophobicContact CG2-CB 4.47Å; V24-L62 PolarHBondContact N-O 3.36Å; V24-I64 HydrophobicContact CG2-CD1 4.03Å; V24-L67 HydrophobicContact CG2-CD2 4.48Å; V24-Y103 HydrophobicContact CG1-CD1 4.29Å; V24-Y103 HydrophobicContact CG1-CE1 3.5Å; V24-Y103 VanDerWaalsContact CG1-CE1 3.5Å
25K73.3Confident65.7Low126 Ų12687.7 Ų87.755%0.54845%0.451SS..PPolyproline II helixtrans-80.2133.6170.5-157.3-173.1172.4-178.90111H23 D28 E48 R51H23-K25 PolarHBondContact O-N 3.25Å; K25-D28 IonicContact NZ-OD2 3.41Å; K25-E48 VanDerWaalsContact CE-CD 3.43Å; K25-E48 WeakPolarHBondContact CE-OE2 3.27Å; K25-E48 HydrophobicContact CG-CG 4.4Å; K25-E48 WeakPolarHBondContact CG-OE1 3.33Å; K25-E48 WeakPolarHBondContact CG-OE2 3.34Å; K25-R51 VanDerWaalsContact CA-NH1 3.35Å
26Y65.1Low62.8Low0 Ų090.1 Ų90.10%047%0.466CS..PPolyproline II helixtrans-87.6129.7174.8-66.4-82.4000107.7V24 D28 F43 H44 I47 E48 L62 F78 L81 Y103V24-Y26 WeakPolarHBondContact O-CE2 3.38Å; Y26-D28 PolarHBondContact O-N 3.3Å; Y26-F43 HydrophobicContact CD1-CE1 4.08Å; Y26-F43 HydrophobicContact CE1-CE1 4.39Å; Y26-H44 VanDerWaalsContact C-CD2 3.48Å; Y26-H44 VanDerWaalsContact CB-CD2 3.45Å; Y26-H44 WeakPolarHBondContact CB-CD2 3.45Å; Y26-I47 HydrophobicContact CD2-CB 4.11Å; Y26-I47 HydrophobicContact CD2-CG2 3.2Å; Y26-I47 HydrophobicContact CE2-CG2 3.39Å; Y26-I47 HydrophobicContact CG-CB 4.32Å; Y26-I47 HydrophobicContact CG-CG2 3.86Å; Y26-E48 PolarHBondContact N-OE1 3.46Å; Y26-L62 WeakPolarHBondContact OH-CD1 3.48Å; Y26-L62 WeakPolarHBondContact OH-CG 3.45Å; Y26-F78 HydrophobicContact CD1-CE2 4.46Å; Y26-F78 HydrophobicContact CE1-CD2 4.05Å; Y26-F78 AromaticContact CE1-CE2 3.77Å; Y26-F78 HydrophobicContact CE1-CE2 3.77Å; Y26-L81 HydrophobicContact CE2-CD2 4.16Å; Y26-L81 VanDerWaalsContact OH-CD2 3.31Å; Y26-L81 WeakPolarHBondContact OH-CD2 3.22Å; Y26-Y103 HydrophobicContact CD1-CE2 4.06Å; Y26-Y103 AromaticContact CD1-CZ 3.69Å; Y26-Y103 WeakPolarHBondContact CD1-OH 3.45Å; Y26-Y103 AromaticContact CE1-CE2 3.94Å; Y26-Y103 HydrophobicContact CE1-CE2 3.94Å; Y26-Y103 AromaticContact CE1-CZ 3.71Å; Y26-Y103 WeakPolarHBondContact CE1-OH 3.29Å
27Q52.9Low60Low135 Ų13591.1 Ų91.163%0.63149%0.49SS*.  trans-73.4113.9-173.3-176.3177.83.200112.1R29 H44Q27-R29 PolarHBondContact O-N 3.15Å; Q27-H44 PolarHBondContact N-CD2 3.24Å; Q27-H44 WeakPolarHBondContact O-CB 3.27Å; Q27-H44 PolarHBondContact O-CD2 3.13Å; Q27-H44 PolarHBondContact O-ND1 3.24Å
28D47.1Very low57.3Low72 Ų7294.9 Ų94.939%0.38551%0.511SS..  trans-50.4112.3169.8-66.9-51.1000111.3K25 Y26 Q30 Q45K25-D28 IonicContact NZ-OD2 3.41Å; Y26-D28 PolarHBondContact O-N 3.3Å; D28-Q30 PolarHBondContact O-N 3.47Å; D28-Q45 WeakPolarHBondContact OD1-CG 3.3Å
29R40.7Very low55Low131 Ų13199.4 Ų99.449%0.49454%0.535SS..  trans-77.3113.4150.4-62.3-174.3-165.7-166.312.4106.5Q27 L31 D42 Q45 E99Q27-R29 PolarHBondContact O-N 3.15Å; R29-L31 PolarHBondContact O-N 2.85Å; R29-L31 VanDerWaalsContact O-N 3.15Å; R29-D42 HydrophobicContact CB-CB 4.22Å; R29-D42 WeakPolarHBondContact CB-OD2 2.68Å; R29-D42 VanDerWaalsContact CG-OD2 3.28Å; R29-D42 WeakPolarHBondContact CG-OD2 3.31Å; R29-D42 PolarHBondContact N-OD2 3.16Å; R29-Q45 PolarHBondContact O-NE2 3.01Å; R29-E99 IonicContact NH2-OE1 3.21Å
30Q36.3Very low52.6Low160 Ų160102.8 Ų102.875%0.74855%0.554SS**  trans-66.7109.1157.7-74.8-173.8-16.100106.9D28 V32D28-Q30 PolarHBondContact O-N 3.47Å; Q30-V32 HydrophobicContact CB-CG2 4.05Å; Q30-V32 PolarHBondContact O-N 3.49Å
31L34.7Very low50.6Low103 Ų103104.1 Ų104.154%0.53956%0.559SS.*  trans-69.984.2161.2-79.1164.3000107.4R29 N33 V40R29-L31 PolarHBondContact O-N 2.85Å; R29-L31 VanDerWaalsContact O-N 3.15Å; L31-N33 PolarHBondContact O-N 2.97Å; L31-V40 HydrophobicContact CD1-CB 3.86Å; L31-V40 HydrophobicContact CD1-CG1 3.5Å; L31-V40 WeakPolarHBondContact CD1-O 3.47Å
32V30Very low49Very low108 Ų108100.1 Ų100.166%0.65555%0.546SS*.  trans-82.490.5161.8-175.70000105.6Q30Q30-V32 HydrophobicContact CB-CG2 4.05Å; Q30-V32 PolarHBondContact O-N 3.49Å
33N28.3Very low47.4Very low155 Ų15598.3 Ų98.383%0.82953%0.531SS*.  trans163.6123.7149.7-83-20.5000111L31L31-N33 PolarHBondContact O-N 2.97Å
34G30Very low46.1Very low69 Ų6994.5 Ų94.571%0.71151%0.513SS*.  trans141.386.616100000115
35T28Very low44.8Very low139 Ų13996.2 Ų96.285%0.85352%0.52SS*.  trans13.6118.1146.645.20000119.3
36K28.1Very low44Very low203 Ų20390.4 Ų90.488%0.88350%0.495SS*.SBendtrans53104.3155.7-73-178.1174.8179.50117.2D38K36-D38 PolarHBondContact O-N 3.08Å
37G34Very low43.5Very low80 Ų8090.4 Ų90.483%0.82550%0.495SS*.SBendtrans92.9-28.3141.200000117.9
38D36.9Very low43.8Very low144 Ų14484.8 Ų84.877%0.7747%0.469SS*.  trans-96.8110.4-176.9-66.5-26.1000111.4K36 V40K36-D38 PolarHBondContact O-N 3.08Å; D38-V40 VanDerWaalsContact C-N 3.32Å; D38-V40 PolarHBondContact O-N 3.29Å
39L44.1Very low44Very low140 Ų14083.5 Ų83.573%0.73347%0.465SS*.  trans-69.688.5169.6-77.8159.1000108.9F41L39-F41 HydrophobicContact CB-CD2 4.17Å; L39-F41 HydrophobicContact CB-CE2 3.62Å; L39-F41 HydrophobicContact CB-CZ 3.9Å; L39-F41 HydrophobicContact CD1-CE2 4.28Å; L39-F41 HydrophobicContact CD1-CZ 4Å; L39-F41 HydrophobicContact CD2-CE1 4.45Å; L39-F41 HydrophobicContact CD2-CZ 4.16Å; L39-F41 HydrophobicContact CG-CE2 4.42Å; L39-F41 HydrophobicContact CG-CZ 4.25Å; L39-F41 WeakPolarHBondContact O-CD2 3.31Å; L39-F41 PolarHBondContact O-N 3.39Å
40V46.2Very low44.8Very low99 Ų9978 Ų7860%0.645%0.446SS*.  trans-76.7100.3167-173.60000107.4L31 D38L31-V40 HydrophobicContact CD1-CB 3.86Å; L31-V40 HydrophobicContact CD1-CG1 3.5Å; L31-V40 WeakPolarHBondContact CD1-O 3.47Å; D38-V40 VanDerWaalsContact C-N 3.32Å; D38-V40 PolarHBondContact O-N 3.29Å
41F50.7Low45.6Very low79 Ų7972.6 Ų72.635%0.34642%0.418SS..  trans-80.9127.7173.2-64.6-80000109.7L39 Q45 V46 L92L39-F41 HydrophobicContact CB-CD2 4.17Å; L39-F41 HydrophobicContact CB-CE2 3.62Å; L39-F41 HydrophobicContact CB-CZ 3.9Å; L39-F41 HydrophobicContact CD1-CE2 4.28Å; L39-F41 HydrophobicContact CD1-CZ 4Å; L39-F41 HydrophobicContact CD2-CE1 4.45Å; L39-F41 HydrophobicContact CD2-CZ 4.16Å; L39-F41 HydrophobicContact CG-CE2 4.42Å; L39-F41 HydrophobicContact CG-CZ 4.25Å; L39-F41 WeakPolarHBondContact O-CD2 3.31Å; L39-F41 PolarHBondContact O-N 3.39Å; F41-Q45 HydrophobicContact CD1-CB 4.28Å; F41-V46 HydrophobicContact CB-CG2 3.34Å; F41-V46 HydrophobicContact CG-CG2 4.19Å; F41-L92 VanDerWaalsContact O-CD1 3.28Å; F41-L92 WeakPolarHBondContact O-CD1 3.45Å
42D59.1Low46.4Very low24 Ų2471.3 Ų71.313%0.12841%0.409CS..  trans-70.3153.1166176.532000109.8R29 H44 Q45 V46R29-D42 HydrophobicContact CB-CB 4.22Å; R29-D42 WeakPolarHBondContact CB-OD2 2.68Å; R29-D42 VanDerWaalsContact CG-OD2 3.28Å; R29-D42 WeakPolarHBondContact CG-OD2 3.31Å; R29-D42 PolarHBondContact N-OD2 3.16Å; D42-H44 PolarHBondContact O-N 2.9Å; D42-H44 IonicContact OD1-ND1 3.69Å; D42-H44 IonicContact OD2-CE1 3.37Å; D42-H44 IonicContact OD2-CG 3.73Å; D42-H44 IonicContact OD2-ND1 3.59Å; D42-H44 PolarHBondContact OD2-ND1 2.7Å; D42-Q45 WeakPolarHBondContact O-CB 3.42Å; D42-Q45 PolarHBondContact O-N 3.16Å; D42-V46 PolarHBondContact O-N 2.87Å
43F58.6Low47.2Very low2 Ų271.8 Ų71.81%0.00941%0.405CS..Hα-helixtrans-42.7-47.3176.6176.6-112.4000112.4Y26 Q45 V46 I47 F78 V82 L92 V94Y26-F43 HydrophobicContact CD1-CE1 4.08Å; Y26-F43 HydrophobicContact CE1-CE1 4.39Å; F43-Q45 PolarHBondContact O-N 2.91Å; F43-V46 PolarHBondContact O-N 2.88Å; F43-I47 HydrophobicContact CD1-CG1 4.27Å; F43-I47 HydrophobicContact CD2-CD1 4.41Å; F43-I47 HydrophobicContact CD2-CG1 3.82Å; F43-I47 HydrophobicContact CE1-CG1 3.83Å; F43-I47 HydrophobicContact CE2-CD1 3.63Å; F43-I47 HydrophobicContact CE2-CG1 3.34Å; F43-I47 HydrophobicContact CG-CG1 4.28Å; F43-I47 HydrophobicContact CZ-CD1 3.83Å; F43-I47 HydrophobicContact CZ-CG1 3.36Å; F43-I47 WeakPolarHBondContact O-CB 3.42Å; F43-I47 VanDerWaalsContact O-CG1 3.32Å; F43-I47 WeakPolarHBondContact O-CG1 3.44Å; F43-I47 PolarHBondContact O-N 3.35Å; F43-F78 AromaticContact CE1-CE2 3.68Å; F43-F78 HydrophobicContact CE1-CE2 3.68Å; F43-F78 AromaticContact CE1-CZ 3.76Å; F43-F78 HydrophobicContact CE1-CZ 3.76Å; F43-F78 AromaticContact CZ-CE2 3.9Å; F43-F78 HydrophobicContact CZ-CE2 3.9Å; F43-F78 AromaticContact CZ-CZ 3.99Å; F43-F78 HydrophobicContact CZ-CZ 3.99Å; F43-V82 HydrophobicContact CE1-CG2 4.38Å; F43-V82 HydrophobicContact CE2-CB 4.16Å; F43-V82 HydrophobicContact CE2-CG1 4.33Å; F43-V82 HydrophobicContact CE2-CG2 3.54Å; F43-V82 HydrophobicContact CZ-CB 4.45Å; F43-V82 HydrophobicContact CZ-CG2 3.4Å; F43-V82 VanDerWaalsContact CZ-CG2 3.4Å; F43-L92 HydrophobicContact CB-CD1 4.38Å; F43-L92 HydrophobicContact CB-CG 4.48Å; F43-L92 HydrophobicContact CD2-CD2 3.73Å; F43-L92 HydrophobicContact CD2-CG 4.38Å; F43-V94 HydrophobicContact CB-CG1 4.16Å; F43-V94 HydrophobicContact CB-CG2 3.87Å; F43-V94 HydrophobicContact CD1-CG1 4.03Å; F43-V94 HydrophobicContact CD2-CB 4.15Å; F43-V94 HydrophobicContact CD2-CG1 3.75Å; F43-V94 HydrophobicContact CD2-CG2 3.27Å; F43-V94 HydrophobicContact CE1-CG1 4.39Å; F43-V94 HydrophobicContact CE2-CG1 4.12Å; F43-V94 HydrophobicContact CE2-CG2 4.03Å; F43-V94 HydrophobicContact CG-CB 4.37Å; F43-V94 HydrophobicContact CG-CG1 3.68Å; F43-V94 HydrophobicContact CG-CG2 3.76Å; F43-V94 HydrophobicContact CZ-CG1 4.42Å
44H60.1Low48.3Very low6 Ų665.2 Ų65.23%0.02837%0.37CS..Hα-helixtrans-66.7-37.1-177.1-53.888.7000112.1Y26 Q27 D42 E48 E99Y26-H44 VanDerWaalsContact C-CD2 3.48Å; Y26-H44 VanDerWaalsContact CB-CD2 3.45Å; Y26-H44 WeakPolarHBondContact CB-CD2 3.45Å; Q27-H44 PolarHBondContact N-CD2 3.24Å; Q27-H44 WeakPolarHBondContact O-CB 3.27Å; Q27-H44 PolarHBondContact O-CD2 3.13Å; Q27-H44 PolarHBondContact O-ND1 3.24Å; D42-H44 PolarHBondContact O-N 2.9Å; D42-H44 IonicContact OD1-ND1 3.69Å; D42-H44 IonicContact OD2-CE1 3.37Å; D42-H44 IonicContact OD2-CG 3.73Å; D42-H44 IonicContact OD2-ND1 3.59Å; D42-H44 PolarHBondContact OD2-ND1 2.7Å; H44-E48 VanDerWaalsContact O-CB 3.29Å; H44-E48 WeakPolarHBondContact O-CB 3.5Å; H44-E48 WeakPolarHBondContact O-CG 3.49Å; H44-E48 PolarHBondContact O-N 3.16Å; H44-E99 IonicContact CE1-OE1 3.7Å; H44-E99 IonicContact CE1-OE2 2.9Å; H44-E99 IonicContact NE2-OE2 3.94Å; H44-E99 PolarHBondContact NE2-OE2 3.5Å
45Q57.3Low49.1Very low46 Ų4667.2 Ų67.222%0.21537%0.373CS..Hα-helixtrans-67.9-40.9175.4-67.3-179.819.800111.4D28 R29 F41 D42 F43 E48 C49D28-Q45 WeakPolarHBondContact OD1-CG 3.3Å; R29-Q45 PolarHBondContact O-NE2 3.01Å; F41-Q45 HydrophobicContact CD1-CB 4.28Å; D42-Q45 WeakPolarHBondContact O-CB 3.42Å; D42-Q45 PolarHBondContact O-N 3.16Å; F43-Q45 PolarHBondContact O-N 2.91Å; Q45-E48 PolarHBondContact O-N 2.93Å; Q45-C49 WeakPolarHBondContact O-CB 3.23Å; Q45-C49 PolarHBondContact O-N 3.28Å; Q45-C49 PolarHBondContact O-SG 2.91Å; Q45-C49 VanDerWaalsContact O-SG 3.4Å
46V55.6Low49.9Very low3 Ų365.1 Ų65.12%0.01837%0.369CS..Hα-helixtrans-65.7-47.2177.1-176.40000110.4F41 D42 F43 E48 C49 I50 T85 F89 L92F41-V46 HydrophobicContact CB-CG2 3.34Å; F41-V46 HydrophobicContact CG-CG2 4.19Å; D42-V46 PolarHBondContact O-N 2.87Å; F43-V46 PolarHBondContact O-N 2.88Å; V46-E48 VanDerWaalsContact C-N 3.34Å; V46-E48 PolarHBondContact O-N 2.94Å; V46-C49 CarbonylContact O-C 3.47Å; V46-C49 WeakPolarHBondContact O-CA 3.45Å; V46-C49 WeakPolarHBondContact O-CB 3.44Å; V46-C49 PolarHBondContact O-N 2.77Å; V46-C49 VanDerWaalsContact O-N 3.15Å; V46-I50 HydrophobicContact CG1-CD1 4.01Å; V46-I50 HydrophobicContact CG1-CG1 4.3Å; V46-I50 WeakPolarHBondContact O-CG1 3.43Å; V46-I50 PolarHBondContact O-N 2.89Å; V46-T85 HydrophobicContact CB-CG2 4.19Å; V46-T85 HydrophobicContact CG1-CG2 3.48Å; V46-T85 VanDerWaalsContact CG1-CG2 3.48Å; V46-F89 HydrophobicContact CG1-CB 4.16Å; V46-F89 HydrophobicContact CG1-CD1 4.26Å; V46-F89 HydrophobicContact CG1-CD2 3.17Å; V46-F89 HydrophobicContact CG1-CE2 3.51Å; V46-F89 HydrophobicContact CG1-CG 3.6Å; V46-F89 HydrophobicContact CG1-CZ 4.17Å; V46-L92 HydrophobicContact CB-CD1 4.25Å; V46-L92 HydrophobicContact CB-CD2 3.95Å; V46-L92 HydrophobicContact CG1-CD2 4.11Å; V46-L92 HydrophobicContact CG2-CD1 3.55Å; V46-L92 HydrophobicContact CG2-CD2 4.08Å; V46-L92 HydrophobicContact CG2-CG 4.42Å
47I55.9Low50.9Low0 Ų057.6 Ų57.60%035%0.35CS..Hα-helixtrans-65.2-38.2177.1-65.3-62.1000111.4Y26 F43 C49 I50 R51 L81 T85Y26-I47 HydrophobicContact CD2-CB 4.11Å; Y26-I47 HydrophobicContact CD2-CG2 3.2Å; Y26-I47 HydrophobicContact CE2-CG2 3.39Å; Y26-I47 HydrophobicContact CG-CB 4.32Å; Y26-I47 HydrophobicContact CG-CG2 3.86Å; F43-I47 HydrophobicContact CD1-CG1 4.27Å; F43-I47 HydrophobicContact CD2-CD1 4.41Å; F43-I47 HydrophobicContact CD2-CG1 3.82Å; F43-I47 HydrophobicContact CE1-CG1 3.83Å; F43-I47 HydrophobicContact CE2-CD1 3.63Å; F43-I47 HydrophobicContact CE2-CG1 3.34Å; F43-I47 HydrophobicContact CG-CG1 4.28Å; F43-I47 HydrophobicContact CZ-CD1 3.83Å; F43-I47 HydrophobicContact CZ-CG1 3.36Å; F43-I47 WeakPolarHBondContact O-CB 3.42Å; F43-I47 VanDerWaalsContact O-CG1 3.32Å; F43-I47 WeakPolarHBondContact O-CG1 3.44Å; F43-I47 PolarHBondContact O-N 3.35Å; I47-C49 VanDerWaalsContact C-N 3.34Å; I47-I50 PolarHBondContact O-N 3.22Å; I47-R51 HydrophobicContact CG2-CG 3.96Å; I47-R51 VanDerWaalsContact O-CB 3.27Å; I47-R51 WeakPolarHBondContact O-CB 3.31Å; I47-R51 WeakPolarHBondContact O-CG 3.27Å; I47-R51 PolarHBondContact O-N 3.35Å; I47-L81 HydrophobicContact CD1-CD1 3.94Å; I47-L81 HydrophobicContact CD1-CD2 4.07Å; I47-L81 HydrophobicContact CD1-CG 3.7Å; I47-L81 HydrophobicContact CG2-CD2 4.11Å; I47-T85 HydrophobicContact CD1-CG2 3.65Å; I47-T85 WeakPolarHBondContact CD1-OG1 3.33Å; I47-T85 HydrophobicContact CG1-CG2 4.39Å
48E58.3Low52.1Low18 Ų1858 Ų588%0.08434%0.336CS..Hα-helixtrans-61.9-45.7172.2-72.8-58.7126.400109.8K25 Y26 H44 Q45 V46 I50 R51 E52K25-E48 VanDerWaalsContact CE-CD 3.43Å; K25-E48 WeakPolarHBondContact CE-OE2 3.27Å; K25-E48 HydrophobicContact CG-CG 4.4Å; K25-E48 WeakPolarHBondContact CG-OE1 3.33Å; K25-E48 WeakPolarHBondContact CG-OE2 3.34Å; Y26-E48 PolarHBondContact N-OE1 3.46Å; H44-E48 VanDerWaalsContact O-CB 3.29Å; H44-E48 WeakPolarHBondContact O-CB 3.5Å; H44-E48 WeakPolarHBondContact O-CG 3.49Å; H44-E48 PolarHBondContact O-N 3.16Å; Q45-E48 PolarHBondContact O-N 2.93Å; V46-E48 VanDerWaalsContact C-N 3.34Å; V46-E48 PolarHBondContact O-N 2.94Å; E48-I50 VanDerWaalsContact C-N 3.34Å; E48-I50 PolarHBondContact O-N 3.46Å; E48-R51 PolarHBondContact O-N 3.15Å; E48-R51 IonicContact OE1-CZ 2.69Å; E48-R51 IonicContact OE1-NH1 3.86Å; E48-R51 PolarHBondContact OE1-NH1 3.14Å; E48-R51 IonicContact OE2-NH1 2.8Å; E48-R51 PolarHBondContact OE2-NH1 2.88Å; E48-E52 WeakPolarHBondContact O-CA 3.44Å; E48-E52 WeakPolarHBondContact O-CB 3.26Å; E48-E52 WeakPolarHBondContact O-CG 3.3Å; E48-E52 PolarHBondContact O-N 3.42Å
49C52.5Low53.5Low45 Ų4561.6 Ų61.630%0.30434%0.338SS..Hα-helixtrans-59.9-39.1173.7-800000113.5Q45 V46 I47 E52 Q53Q45-C49 WeakPolarHBondContact O-CB 3.23Å; Q45-C49 PolarHBondContact O-N 3.28Å; Q45-C49 PolarHBondContact O-SG 2.91Å; Q45-C49 VanDerWaalsContact O-SG 3.4Å; V46-C49 CarbonylContact O-C 3.47Å; V46-C49 WeakPolarHBondContact O-CA 3.45Å; V46-C49 WeakPolarHBondContact O-CB 3.44Å; V46-C49 PolarHBondContact O-N 2.77Å; V46-C49 VanDerWaalsContact O-N 3.15Å; I47-C49 VanDerWaalsContact C-N 3.34Å; C49-E52 CarbonylContact O-C 3.6Å; C49-Q53 VanDerWaalsContact O-CB 3.26Å; C49-Q53 WeakPolarHBondContact O-CB 3.39Å; C49-Q53 WeakPolarHBondContact O-CG 3.4Å; C49-Q53 PolarHBondContact O-N 2.96Å
50I55.7Low54.9Low16 Ų1656.4 Ų56.48%0.08231%0.312CS..Hα-helixtrans-69.7-51.3175.8-70.3177.1000109.8V46 I47 E48 E52 Q53 D54 T85 F89V46-I50 HydrophobicContact CG1-CD1 4.01Å; V46-I50 HydrophobicContact CG1-CG1 4.3Å; V46-I50 WeakPolarHBondContact O-CG1 3.43Å; V46-I50 PolarHBondContact O-N 2.89Å; I47-I50 PolarHBondContact O-N 3.22Å; E48-I50 VanDerWaalsContact C-N 3.34Å; E48-I50 PolarHBondContact O-N 3.46Å; I50-E52 PolarHBondContact O-N 3.44Å; I50-Q53 CarbonylContact O-C 3.56Å; I50-Q53 WeakPolarHBondContact O-CA 3.46Å; I50-Q53 PolarHBondContact O-N 3.36Å; I50-D54 HydrophobicContact CG2-CB 4.42Å; I50-D54 WeakPolarHBondContact O-CA 3.33Å; I50-D54 WeakPolarHBondContact O-CB 3.3Å; I50-D54 PolarHBondContact O-N 2.73Å; I50-T85 HydrophobicContact CD1-CG2 3.57Å; I50-T85 WeakPolarHBondContact CD1-OG1 3.45Å; I50-F89 HydrophobicContact CD1-CD2 4.17Å; I50-F89 HydrophobicContact CD1-CE2 3.86Å; I50-F89 HydrophobicContact CG1-CE2 3.97Å
51R52.9Low56.3Low46 Ų4653.9 Ų53.917%0.17429%0.293CS..Hα-helixtrans-55.4-37.9175.1-74.317868.5-141.3-5.6111.4V24 K25 I47 E48 E61V24-R51 PolarHBondContact O-NH1 2.88Å; K25-R51 VanDerWaalsContact CA-NH1 3.35Å; I47-R51 HydrophobicContact CG2-CG 3.96Å; I47-R51 VanDerWaalsContact O-CB 3.27Å; I47-R51 WeakPolarHBondContact O-CB 3.31Å; I47-R51 WeakPolarHBondContact O-CG 3.27Å; I47-R51 PolarHBondContact O-N 3.35Å; E48-R51 PolarHBondContact O-N 3.15Å; E48-R51 IonicContact OE1-CZ 2.69Å; E48-R51 IonicContact OE1-NH1 3.86Å; E48-R51 PolarHBondContact OE1-NH1 3.14Å; E48-R51 IonicContact OE2-NH1 2.8Å; E48-R51 PolarHBondContact OE2-NH1 2.88Å; R51-E61 HydrophobicContact CG-CG 4.04Å
52E51.9Low58Low75 Ų7550.1 Ų50.135%0.3528%0.277SS..Hα-helixtrans-74.2-23.9176.2-78.5-173.2-175.100112.7E48 C49 I50 R151E48-E52 WeakPolarHBondContact O-CA 3.44Å; E48-E52 WeakPolarHBondContact O-CB 3.26Å; E48-E52 WeakPolarHBondContact O-CG 3.3Å; E48-E52 PolarHBondContact O-N 3.42Å; C49-E52 CarbonylContact O-C 3.6Å; I50-E52 PolarHBondContact O-N 3.44Å; E52-R151 VanDerWaalsContact O-CD 3.23Å; E52-R151 WeakPolarHBondContact O-CD 3.49Å; E52-R151 PolarHBondContact O-NH1 2.9Å; E52-R151 IonicContact OE2-CZ 3.29Å; E52-R151 IonicContact OE2-NE 3.6Å; E52-R151 PolarHBondContact OE2-NE 3.03Å; E52-R151 IonicContact OE2-NH2 3.63Å; E52-R151 PolarHBondContact OE2-NH2 3.41Å
53Q47Very low59.4Low119 Ų11953.9 Ų53.956%0.55629%0.289SS*.Hα-helixtrans-90.8-23.6172.2-79-179-9.500113.2C49 I50 S55C49-Q53 VanDerWaalsContact O-CB 3.26Å; C49-Q53 WeakPolarHBondContact O-CB 3.39Å; C49-Q53 WeakPolarHBondContact O-CG 3.4Å; C49-Q53 PolarHBondContact O-N 2.96Å; I50-Q53 CarbonylContact O-C 3.56Å; I50-Q53 WeakPolarHBondContact O-CA 3.46Å; I50-Q53 PolarHBondContact O-N 3.36Å; Q53-S55 PolarHBondContact O-N 2.8Å; Q53-S55 VanDerWaalsContact O-N 3.16Å
54D51Low61Low17 Ų1754.8 Ų54.89%0.09129%0.294CS..G310 helixtrans-85.918.2-171.3-156.43.2000112.5I50 A56 G57 V58I50-D54 HydrophobicContact CG2-CB 4.42Å; I50-D54 WeakPolarHBondContact O-CA 3.33Å; I50-D54 WeakPolarHBondContact O-CB 3.3Å; I50-D54 PolarHBondContact O-N 2.73Å; D54-A56 PolarHBondContact O-N 3.26Å; D54-G57 PolarHBondContact O-N 2.95Å; D54-V58 WeakPolarHBondContact OD1-CB 3.2Å; D54-V58 WeakPolarHBondContact OD1-CG2 3.23Å; D54-V58 PolarHBondContact OD1-N 2.99Å
55S47.1Very low62.4Low111 Ų11155.9 Ų55.978%0.77630%0.304SS*.G310 helixtrans-61.1-2.8161.829.50000112.7Q53Q53-S55 PolarHBondContact O-N 2.8Å; Q53-S55 VanDerWaalsContact O-N 3.16Å
56A44.8Very low63.9Low94 Ų9454.5 Ų54.578%0.77730%0.298SS*.G310 helixtrans-9811.2177.100000115.9D54D54-A56 PolarHBondContact O-N 3.26Å
57G49.8Very low65.5Low46 Ų4654.7 Ų54.747%0.47430%0.299SS..SBendtrans103.120.5155.800000118.4D54 R59D54-G57 PolarHBondContact O-N 2.95Å; G57-R59 VanDerWaalsContact C-N 3.3Å
58V59.2Low66.8Low89 Ų8956.8 Ų56.854%0.53931%0.31SS..  trans-76-20.1175.8-161.10000111.9D54 N60D54-V58 WeakPolarHBondContact OD1-CB 3.2Å; D54-V58 WeakPolarHBondContact OD1-CG2 3.23Å; D54-V58 PolarHBondContact OD1-N 2.99Å; V58-N60 VanDerWaalsContact C-N 3.32Å; V58-N60 WeakPolarHBondContact CG1-ND2 3.29Å; V58-N60 PolarHBondContact O-N 3.47Å
59R66.9Low67.9Low218 Ų21863.2 Ų63.282%0.82335%0.345SS*.  trans56.439.8171-62175.1-72.1174.8-1113.3G57 E61G57-R59 VanDerWaalsContact C-N 3.3Å; R59-E61 WeakPolarHBondContact CA-OE2 3.34Å
60N72.5Confident69.4Low32 Ų3264 Ų6417%0.17135%0.346CS..  trans-100.31.2-179.3-71.5-39.8000113.7V58 L81 L84V58-N60 VanDerWaalsContact C-N 3.32Å; V58-N60 WeakPolarHBondContact CG1-ND2 3.29Å; V58-N60 PolarHBondContact O-N 3.47Å; N60-L81 HydrophobicContact CB-CD1 4.36Å; N60-L84 WeakPolarHBondContact ND2-CD1 3.31Å
61E74.7Confident71.1Confident45 Ų4565.3 Ų65.321%0.2135%0.351CS..  trans-72.2147.5-175.6-5297.2131.400112.4H23 R51 R59H23-E61 IonicContact CE1-OE1 3.89Å; H23-E61 VanDerWaalsContact ND1-CB 3.34Å; H23-E61 WeakPolarHBondContact ND1-CB 3.37Å; R51-E61 HydrophobicContact CG-CG 4.04Å; R59-E61 WeakPolarHBondContact CA-OE2 3.34Å
62L86.6Confident72.9Confident0 Ų068 Ų680%037%0.369CS..  trans-90.9135.4175.3-57.8-179.1000110.4H23 V24 Y26 F74 K77 F78H23-L62 CarbonylContact C-O 3.54Å; H23-L62 WeakPolarHBondContact CA-O 3.42Å; V24-L62 HydrophobicContact CG2-CB 4.47Å; V24-L62 PolarHBondContact N-O 3.36Å; Y26-L62 WeakPolarHBondContact OH-CD1 3.48Å; Y26-L62 WeakPolarHBondContact OH-CG 3.45Å; L62-F74 HydrophobicContact CB-CD2 4.35Å; L62-F74 HydrophobicContact CB-CE2 3.89Å; L62-F74 HydrophobicContact CD1-CD2 3.75Å; L62-F74 HydrophobicContact CD1-CE1 4.17Å; L62-F74 HydrophobicContact CD1-CE2 3.21Å; L62-F74 HydrophobicContact CD1-CG 4.42Å; L62-F74 HydrophobicContact CD1-CZ 3.45Å; L62-F74 VanDerWaalsContact CD1-CZ 3.45Å; L62-F74 HydrophobicContact CD2-CD2 4.39Å; L62-F74 HydrophobicContact CG-CD2 4.39Å; L62-F74 HydrophobicContact CG-CE2 4.05Å; L62-K77 HydrophobicContact CD2-CB 3.28Å; L62-K77 HydrophobicContact CD2-CD 4Å; L62-K77 HydrophobicContact CD2-CG 4.28Å; L62-F78 HydrophobicContact CD1-CB 3.8Å; L62-F78 HydrophobicContact CD1-CD2 3.97Å; L62-F78 HydrophobicContact CD1-CG 4.4Å
63R89Confident74.7Confident104 Ų10467.7 Ų67.739%0.39237%0.37SS..BIsolated β-bridgetrans-107.2164.6174.2-58.6176.1-62177.63111.1A22 A65 D66 L67A22-R63 CarbonylContact O-C 3.35Å; A22-R63 VanDerWaalsContact O-CA 3.23Å; A22-R63 WeakPolarHBondContact O-CA 3.43Å; R63-A65 PolarHBondContact O-N 2.86Å; R63-D66 WeakPolarHBondContact CA-OD2 3.4Å; R63-D66 WeakPolarHBondContact CB-OD2 3.28Å; R63-D66 PolarHBondContact N-OD2 2.76Å; R63-D66 IonicContact NE-OD2 3.81Å; R63-D66 WeakPolarHBondContact O-CB 3.43Å; R63-D66 PolarHBondContact O-N 3Å; R63-L67 PolarHBondContact O-N 3.5Å
64I91.7Very high76.8Confident20 Ų2062 Ų6210%0.10334%0.344CS..Hα-helixtrans-58.7-34.1176.4-63.6-67.7000111.4I18 A22 V24 D66 L67 N68 L110 V116I18-I64 HydrophobicContact CG2-CG1 4.11Å; I18-I64 HydrophobicContact CG2-CG2 4.22Å; A22-I64 HydrophobicContact CB-CG1 4.05Å; A22-I64 WeakPolarHBondContact O-CG1 2.94Å; A22-I64 PolarHBondContact O-N 3.44Å; V24-I64 HydrophobicContact CG2-CD1 4.03Å; I64-D66 VanDerWaalsContact C-N 3.34Å; I64-D66 PolarHBondContact O-N 2.89Å; I64-L67 PolarHBondContact O-N 3.5Å; I64-N68 WeakPolarHBondContact O-CB 3.24Å; I64-N68 PolarHBondContact O-N 2.76Å; I64-L110 HydrophobicContact CD1-CD1 4.42Å; I64-V116 HydrophobicContact CG2-CB 4.27Å; I64-V116 HydrophobicContact CG2-CG1 3.62Å; I64-V116 HydrophobicContact CG2-CG2 3.57Å
65A90.5Very high78.7Confident29 Ų2965.8 Ų65.824%0.2436%0.356CS..Hα-helixtrans-58.8-44.1173.200000112.1E20 R63 L67 N68 D69E20-A65 HydrophobicContact CB-CB 4.09Å; E20-A65 VanDerWaalsContact O-CB 3.29Å; E20-A65 WeakPolarHBondContact O-CB 3.4Å; E20-A65 PolarHBondContact O-N 2.88Å; R63-A65 PolarHBondContact O-N 2.86Å; A65-L67 VanDerWaalsContact C-N 3.26Å; A65-L67 PolarHBondContact O-N 3Å; A65-N68 PolarHBondContact O-N 2.7Å; A65-D69 VanDerWaalsContact O-CB 3.3Å; A65-D69 WeakPolarHBondContact O-CB 3.44Å; A65-D69 PolarHBondContact O-N 2.84Å; A65-D69 VanDerWaalsContact O-N 3.12Å
66D89.5Confident80.8Confident18 Ų1866.9 Ų66.910%0.09635%0.349CS..Hα-helixtrans-62.7-39.2178.3-53.7-65000110.3R63 I64 F74 K77R63-D66 WeakPolarHBondContact CA-OD2 3.4Å; R63-D66 WeakPolarHBondContact CB-OD2 3.28Å; R63-D66 PolarHBondContact N-OD2 2.76Å; R63-D66 IonicContact NE-OD2 3.81Å; R63-D66 WeakPolarHBondContact O-CB 3.43Å; R63-D66 PolarHBondContact O-N 3Å; I64-D66 VanDerWaalsContact C-N 3.34Å; I64-D66 PolarHBondContact O-N 2.89Å; D66-F74 HydrophobicContact CB-CD2 4.29Å; D66-F74 WeakPolarHBondContact O-CB 3.32Å; D66-K77 IonicContact OD1-NZ 2.65Å; D66-K77 PolarHBondContact OD1-NZ 2.85Å
67L87.7Confident83Confident6 Ų666.6 Ų66.63%0.03133%0.331CS..Hα-helixtrans-70.7-37.4-179.8-175.764.7000113.6V24 R63 I64 A65 F71 F74 Y103 A107 L110V24-L67 HydrophobicContact CG2-CD2 4.48Å; R63-L67 PolarHBondContact O-N 3.5Å; I64-L67 PolarHBondContact O-N 3.5Å; A65-L67 VanDerWaalsContact C-N 3.26Å; A65-L67 PolarHBondContact O-N 3Å; L67-F71 HydrophobicContact CD1-CD2 4.36Å; L67-F71 HydrophobicContact CD1-CE2 3.98Å; L67-F74 HydrophobicContact CB-CD2 3.95Å; L67-F74 HydrophobicContact CB-CE2 4.06Å; L67-F74 HydrophobicContact CD1-CD1 4.22Å; L67-F74 HydrophobicContact CD1-CD2 3.87Å; L67-F74 HydrophobicContact CD1-CE1 4.08Å; L67-F74 HydrophobicContact CD1-CE2 3.69Å; L67-F74 HydrophobicContact CD1-CG 4.14Å; L67-F74 HydrophobicContact CD1-CZ 3.82Å; L67-F74 HydrophobicContact CG-CE2 4.43Å; L67-Y103 HydrophobicContact CD1-CD1 4.16Å; L67-Y103 HydrophobicContact CD1-CG 4.48Å; L67-Y103 HydrophobicContact CD2-CD1 4.5Å; L67-A107 HydrophobicContact CD1-CB 3.91Å; L67-A107 HydrophobicContact CG-CB 3.88Å; L67-A107 WeakPolarHBondContact O-CB 3.32Å; L67-L110 HydrophobicContact CD2-CD1 4.06Å
68N83.9Confident84.9Confident45 Ų4564.4 Ų64.424%0.24131%0.308CS..Hα-helixtrans-98.7-16.4-167.3-170.272.6000114.5I64 A65 T111 V116I64-N68 WeakPolarHBondContact O-CB 3.24Å; I64-N68 PolarHBondContact O-N 2.76Å; A65-N68 PolarHBondContact O-N 2.7Å; N68-T111 WeakPolarHBondContact OD1-CA 3.13Å; N68-T111 PolarHBondContact OD1-N 3.11Å; N68-T111 PolarHBondContact OD1-OG1 2.97Å; N68-V116 HydrophobicContact CB-CG2 4.45Å
69D80.5Confident86.3Confident152 Ų15261.8 Ų61.881%0.81329%0.292SS*.SBendtrans-96.1-65.4-176.4-165.928.3000112A65A65-D69 VanDerWaalsContact O-CB 3.3Å; A65-D69 WeakPolarHBondContact O-CB 3.44Å; A65-D69 PolarHBondContact O-N 2.84Å; A65-D69 VanDerWaalsContact O-N 3.12Å
70N85.6Confident87.4Confident62 Ų6258.7 Ų58.733%0.33228%0.28SS..  trans-127.4103.3179.2-177.4-0.9000111D72 D73 F74N70-D72 PolarHBondContact O-N 3.47Å; N70-D72 WeakPolarHBondContact OD1-CB 3.28Å; N70-D72 PolarHBondContact OD1-N 3.33Å; N70-D73 HydrophobicContact CB-CB 4.16Å; N70-D73 PolarHBondContact ND2-OD1 3.39Å; N70-D73 PolarHBondContact ND2-OD2 2.68Å; N70-D73 PolarHBondContact O-N 2.82Å; N70-D73 VanDerWaalsContact O-N 3.15Å; N70-F74 PolarHBondContact O-N 2.91Å; N70-F74 VanDerWaalsContact O-N 3.14Å
71F90.1Very high88Confident43 Ų4357.4 Ų57.419%0.18927%0.274CS..Hα-helixtrans-65.4-25.3-177.8-164-96.3000113.2L67 F74 R75 L100 K104 A107L67-F71 HydrophobicContact CD1-CD2 4.36Å; L67-F71 HydrophobicContact CD1-CE2 3.98Å; F71-F74 HydrophobicContact CD2-CB 4.5Å; F71-F74 HydrophobicContact CD2-CD1 4.36Å; F71-F74 AromaticContact CE2-CD1 3.8Å; F71-F74 HydrophobicContact CE2-CD1 3.8Å; F71-F74 HydrophobicContact CE2-CE1 4.29Å; F71-F74 HydrophobicContact CE2-CG 4.44Å; F71-F74 HydrophobicContact CZ-CD1 4.05Å; F71-F74 HydrophobicContact CZ-CE1 4.47Å; F71-F74 WeakPolarHBondContact O-CB 3.25Å; F71-F74 PolarHBondContact O-N 3.33Å; F71-R75 WeakPolarHBondContact O-CB 3.35Å; F71-R75 PolarHBondContact O-N 3.1Å; F71-L100 HydrophobicContact CZ-CD2 4.44Å; F71-L100 WeakPolarHBondContact CZ-O 3.37Å; F71-K104 HydrophobicContact CD1-CB 4.49Å; F71-K104 HydrophobicContact CD1-CD 4.47Å; F71-K104 HydrophobicContact CD1-CG 4.38Å; F71-K104 HydrophobicContact CD2-CB 4.48Å; F71-K104 HydrophobicContact CE1-CB 3.85Å; F71-K104 HydrophobicContact CE1-CD 4.3Å; F71-K104 HydrophobicContact CE1-CG 4.18Å; F71-K104 HydrophobicContact CE2-CB 3.86Å; F71-K104 HydrophobicContact CE2-CG 4.44Å; F71-K104 VanDerWaalsContact CE2-N 3.34Å; F71-K104 HydrophobicContact CZ-CB 3.51Å; F71-K104 HydrophobicContact CZ-CG 4.24Å; F71-A107 HydrophobicContact CD2-CB 4.1Å; F71-A107 HydrophobicContact CE2-CB 4.43Å
72D91.1Very high88.4Confident103 Ų10355.5 Ų55.555%0.55127%0.265SS*.Hα-helixtrans-70.3-36.5175.7-70-33.8000111.5N70 R75 Q76N70-D72 PolarHBondContact O-N 3.47Å; N70-D72 WeakPolarHBondContact OD1-CB 3.28Å; N70-D72 PolarHBondContact OD1-N 3.33Å; D72-R75 WeakPolarHBondContact O-CB 3.47Å; D72-R75 PolarHBondContact O-N 3.17Å; D72-Q76 WeakPolarHBondContact O-CG 3.48Å; D72-Q76 PolarHBondContact O-N 3.38Å
73D89Confident88.4Confident69 Ų6960.6 Ų60.637%0.36929%0.289SS..Hα-helixtrans-67.4-40.7173.2-69.8-17.6000111N70 R75 Q76 K77N70-D73 HydrophobicContact CB-CB 4.16Å; N70-D73 PolarHBondContact ND2-OD1 3.39Å; N70-D73 PolarHBondContact ND2-OD2 2.68Å; N70-D73 PolarHBondContact O-N 2.82Å; N70-D73 VanDerWaalsContact O-N 3.15Å; D73-R75 VanDerWaalsContact C-N 3.33Å; D73-R75 PolarHBondContact O-N 3.1Å; D73-Q76 PolarHBondContact O-N 2.76Å; D73-K77 WeakPolarHBondContact O-CG 3.38Å; D73-K77 PolarHBondContact O-N 2.85Å
74F91Very high88.2Confident0 Ų059 Ų590%029%0.288CS..Hα-helixtrans-57.4-47.5171.5-178.8-90.4000111L62 D66 L67 N70 F71 Q76 K77 F78 L100 Y103L62-F74 HydrophobicContact CB-CD2 4.35Å; L62-F74 HydrophobicContact CB-CE2 3.89Å; L62-F74 HydrophobicContact CD1-CD2 3.75Å; L62-F74 HydrophobicContact CD1-CE1 4.17Å; L62-F74 HydrophobicContact CD1-CE2 3.21Å; L62-F74 HydrophobicContact CD1-CG 4.42Å; L62-F74 HydrophobicContact CD1-CZ 3.45Å; L62-F74 VanDerWaalsContact CD1-CZ 3.45Å; L62-F74 HydrophobicContact CD2-CD2 4.39Å; L62-F74 HydrophobicContact CG-CD2 4.39Å; L62-F74 HydrophobicContact CG-CE2 4.05Å; D66-F74 HydrophobicContact CB-CD2 4.29Å; D66-F74 WeakPolarHBondContact O-CB 3.32Å; L67-F74 HydrophobicContact CB-CD2 3.95Å; L67-F74 HydrophobicContact CB-CE2 4.06Å; L67-F74 HydrophobicContact CD1-CD1 4.22Å; L67-F74 HydrophobicContact CD1-CD2 3.87Å; L67-F74 HydrophobicContact CD1-CE1 4.08Å; L67-F74 HydrophobicContact CD1-CE2 3.69Å; L67-F74 HydrophobicContact CD1-CG 4.14Å; L67-F74 HydrophobicContact CD1-CZ 3.82Å; L67-F74 HydrophobicContact CG-CE2 4.43Å; N70-F74 PolarHBondContact O-N 2.91Å; N70-F74 VanDerWaalsContact O-N 3.14Å; F71-F74 HydrophobicContact CD2-CB 4.5Å; F71-F74 HydrophobicContact CD2-CD1 4.36Å; F71-F74 AromaticContact CE2-CD1 3.8Å; F71-F74 HydrophobicContact CE2-CD1 3.8Å; F71-F74 HydrophobicContact CE2-CE1 4.29Å; F71-F74 HydrophobicContact CE2-CG 4.44Å; F71-F74 HydrophobicContact CZ-CD1 4.05Å; F71-F74 HydrophobicContact CZ-CE1 4.47Å; F71-F74 WeakPolarHBondContact O-CB 3.25Å; F71-F74 PolarHBondContact O-N 3.33Å; F74-Q76 PolarHBondContact O-N 2.89Å; F74-K77 PolarHBondContact O-N 3.38Å; F74-F78 HydrophobicContact CD1-CB 4.44Å; F74-F78 HydrophobicContact CE1-CB 4.19Å; F74-F78 HydrophobicContact CE1-CD2 4.45Å; F74-F78 HydrophobicContact CE1-CG 4.44Å; F74-F78 HydrophobicContact CZ-CD2 4.49Å; F74-F78 VanDerWaalsContact O-CB 3.23Å; F74-F78 WeakPolarHBondContact O-CB 3.48Å; F74-F78 PolarHBondContact O-N 3.21Å; F74-L100 HydrophobicContact CD1-CD2 4.19Å; F74-L100 HydrophobicContact CE1-CD2 4.13Å; F74-Y103 HydrophobicContact CE1-CD1 4.35Å; F74-Y103 HydrophobicContact CE1-CD2 4.13Å; F74-Y103 AromaticContact CE1-CG 3.75Å; F74-Y103 HydrophobicContact CE1-CG 3.75Å; F74-Y103 AromaticContact CZ-CD1 3.76Å; F74-Y103 HydrophobicContact CZ-CD1 3.76Å; F74-Y103 HydrophobicContact CZ-CD2 4.06Å; F74-Y103 HydrophobicContact CZ-CE1 4.41Å; F74-Y103 AromaticContact CZ-CG 3.6Å; F74-Y103 HydrophobicContact CZ-CG 3.6Å
75R92.3Very high87.5Confident95 Ų9558.1 Ų58.136%0.35828%0.283SS..Hα-helixtrans-55.7-49.8178.3172175.7-173.1115.711.6111.2F71 D72 D73 F78 V79 E97 L100F71-R75 WeakPolarHBondContact O-CB 3.35Å; F71-R75 PolarHBondContact O-N 3.1Å; D72-R75 WeakPolarHBondContact O-CB 3.47Å; D72-R75 PolarHBondContact O-N 3.17Å; D73-R75 VanDerWaalsContact C-N 3.33Å; D73-R75 PolarHBondContact O-N 3.1Å; R75-F78 PolarHBondContact O-N 2.62Å; R75-V79 VanDerWaalsContact O-CG2 3.25Å; R75-V79 WeakPolarHBondContact O-CG2 3.42Å; R75-V79 PolarHBondContact O-N 2.88Å; R75-E97 IonicContact CZ-OE1 3.94Å; R75-E97 IonicContact CZ-OE2 3.44Å; R75-E97 IonicContact NH1-OE1 3.04Å; R75-E97 PolarHBondContact NH1-OE1 2.84Å; R75-E97 IonicContact NH1-OE2 3.28Å; R75-E97 PolarHBondContact NH1-OE2 2.82Å; R75-E97 IonicContact NH2-OE1 3.9Å; R75-E97 IonicContact NH2-OE2 2.79Å; R75-E97 PolarHBondContact NH2-OE2 2.96Å; R75-L100 HydrophobicContact CB-CD1 4.47Å; R75-L100 HydrophobicContact CB-CD2 4.2Å; R75-L100 HydrophobicContact CG-CD1 3.77Å; R75-L100 HydrophobicContact CG-CD2 4.36Å
76Q91.7Very high87.1Confident134 Ų13459 Ų5963%0.62629%0.285SS*.Hα-helixtrans-61.2-46.8-179.7-69.6176.42900112.1D72 D73 F74 V79 R80D72-Q76 WeakPolarHBondContact O-CG 3.48Å; D72-Q76 PolarHBondContact O-N 3.38Å; D73-Q76 PolarHBondContact O-N 2.76Å; F74-Q76 PolarHBondContact O-N 2.89Å; Q76-V79 PolarHBondContact O-N 2.82Å; Q76-R80 PolarHBondContact O-N 2.88Å; Q76-R80 VanDerWaalsContact O-N 3.07Å
77K90Very high86.9Confident88 Ų8863.6 Ų63.638%0.38331%0.314SS..Hα-helixtrans-66.3-39.6179.1-67169.3179.3159.90111.8L62 D66 D73 F74 R80 L81L62-K77 HydrophobicContact CD2-CB 3.28Å; L62-K77 HydrophobicContact CD2-CD 4Å; L62-K77 HydrophobicContact CD2-CG 4.28Å; D66-K77 IonicContact OD1-NZ 2.65Å; D66-K77 PolarHBondContact OD1-NZ 2.85Å; D73-K77 WeakPolarHBondContact O-CG 3.38Å; D73-K77 PolarHBondContact O-N 2.85Å; F74-K77 PolarHBondContact O-N 3.38Å; K77-R80 PolarHBondContact O-N 2.73Å; K77-L81 WeakPolarHBondContact O-CB 3.23Å; K77-L81 PolarHBondContact O-N 2.8Å
78F89.1Confident86.5Confident0 Ų068.9 Ų68.90%034%0.339CS..Hα-helixtrans-62.8-47.6176179.7-95.9000111.7Y26 F43 L62 F74 R75 R80 L81 V82 I96 E99 L100 Y103Y26-F78 HydrophobicContact CD1-CE2 4.46Å; Y26-F78 HydrophobicContact CE1-CD2 4.05Å; Y26-F78 AromaticContact CE1-CE2 3.77Å; Y26-F78 HydrophobicContact CE1-CE2 3.77Å; F43-F78 AromaticContact CE1-CE2 3.68Å; F43-F78 HydrophobicContact CE1-CE2 3.68Å; F43-F78 AromaticContact CE1-CZ 3.76Å; F43-F78 HydrophobicContact CE1-CZ 3.76Å; F43-F78 AromaticContact CZ-CE2 3.9Å; F43-F78 HydrophobicContact CZ-CE2 3.9Å; F43-F78 AromaticContact CZ-CZ 3.99Å; F43-F78 HydrophobicContact CZ-CZ 3.99Å; L62-F78 HydrophobicContact CD1-CB 3.8Å; L62-F78 HydrophobicContact CD1-CD2 3.97Å; L62-F78 HydrophobicContact CD1-CG 4.4Å; F74-F78 HydrophobicContact CD1-CB 4.44Å; F74-F78 HydrophobicContact CE1-CB 4.19Å; F74-F78 HydrophobicContact CE1-CD2 4.45Å; F74-F78 HydrophobicContact CE1-CG 4.44Å; F74-F78 HydrophobicContact CZ-CD2 4.49Å; F74-F78 VanDerWaalsContact O-CB 3.23Å; F74-F78 WeakPolarHBondContact O-CB 3.48Å; F74-F78 PolarHBondContact O-N 3.21Å; R75-F78 PolarHBondContact O-N 2.62Å; F78-R80 VanDerWaalsContact C-N 3.3Å; F78-R80 PolarHBondContact O-N 2.75Å; F78-L81 WeakPolarHBondContact O-CB 3.42Å; F78-L81 PolarHBondContact O-N 2.93Å; F78-V82 HydrophobicContact CD1-CG2 4.04Å; F78-V82 HydrophobicContact CE1-CG2 3.64Å; F78-V82 HydrophobicContact CE2-CG2 4.31Å; F78-V82 HydrophobicContact CZ-CG2 3.78Å; F78-V82 VanDerWaalsContact O-CG2 3.3Å; F78-V82 WeakPolarHBondContact O-CG2 3.34Å; F78-V82 PolarHBondContact O-N 3.37Å; F78-I96 HydrophobicContact CD1-CG2 4.35Å; F78-I96 HydrophobicContact CE1-CG2 4.2Å; F78-E99 HydrophobicContact CE1-CB 4.1Å; F78-E99 HydrophobicContact CZ-CB 3.61Å; F78-E99 HydrophobicContact CZ-CG 4.37Å; F78-L100 HydrophobicContact CB-CD2 4.01Å; F78-L100 HydrophobicContact CD1-CD1 4.48Å; F78-L100 HydrophobicContact CD1-CD2 3.52Å; F78-L100 HydrophobicContact CD1-CG 3.8Å; F78-L100 HydrophobicContact CE1-CD2 4.22Å; F78-L100 HydrophobicContact CE1-CG 4.1Å; F78-L100 HydrophobicContact CG-CD2 3.89Å; F78-Y103 HydrophobicContact CE2-CD2 4.39Å; F78-Y103 HydrophobicContact CE2-CE2 4.09Å
79V89.7Confident86.4Confident35 Ų3569.8 Ų69.821%0.21234%0.341CS..Hα-helixtrans-58-45.1176.5170.90000110.7R75 Q76 L81 V82 Q83 I96R75-V79 VanDerWaalsContact O-CG2 3.25Å; R75-V79 WeakPolarHBondContact O-CG2 3.42Å; R75-V79 PolarHBondContact O-N 2.88Å; Q76-V79 PolarHBondContact O-N 2.82Å; V79-L81 PolarHBondContact O-N 2.76Å; V79-V82 PolarHBondContact O-N 2.9Å; V79-Q83 HydrophobicContact CG1-CG 4.45Å; V79-Q83 VanDerWaalsContact O-CG 3.28Å; V79-Q83 WeakPolarHBondContact O-CG 3.4Å; V79-Q83 PolarHBondContact O-N 2.82Å; V79-I96 HydrophobicContact CG2-CG2 3.83Å
80R88.9Confident86.5Confident152 Ų15267.9 Ų67.957%0.57434%0.337SS*.Hα-helixtrans-61.3-43.5176.4-179.6177.1177.7165.10.3112.2Q76 K77 F78 Q83 L84Q76-R80 PolarHBondContact O-N 2.88Å; Q76-R80 VanDerWaalsContact O-N 3.07Å; K77-R80 PolarHBondContact O-N 2.73Å; F78-R80 VanDerWaalsContact C-N 3.3Å; F78-R80 PolarHBondContact O-N 2.75Å; R80-Q83 PolarHBondContact O-N 2.86Å; R80-L84 HydrophobicContact CG-CD1 4.15Å; R80-L84 WeakPolarHBondContact O-CG 3.38Å; R80-L84 PolarHBondContact O-N 3.37Å
81L85.5Confident86.3Confident6 Ų670.2 Ų70.23%0.03136%0.358CS..Hα-helixtrans-60.7-46.1177.1178.163.7000111.1Y26 I47 N60 K77 F78 V79 L84 T85Y26-L81 HydrophobicContact CE2-CD2 4.16Å; Y26-L81 VanDerWaalsContact OH-CD2 3.31Å; Y26-L81 WeakPolarHBondContact OH-CD2 3.22Å; I47-L81 HydrophobicContact CD1-CD1 3.94Å; I47-L81 HydrophobicContact CD1-CD2 4.07Å; I47-L81 HydrophobicContact CD1-CG 3.7Å; I47-L81 HydrophobicContact CG2-CD2 4.11Å; N60-L81 HydrophobicContact CB-CD1 4.36Å; K77-L81 WeakPolarHBondContact O-CB 3.23Å; K77-L81 PolarHBondContact O-N 2.8Å; F78-L81 WeakPolarHBondContact O-CB 3.42Å; F78-L81 PolarHBondContact O-N 2.93Å; V79-L81 PolarHBondContact O-N 2.76Å; L81-L84 PolarHBondContact O-N 3.4Å; L81-T85 VanDerWaalsContact O-CB 3.28Å; L81-T85 WeakPolarHBondContact O-CB 3.4Å; L81-T85 PolarHBondContact O-N 3.08Å; L81-T85 PolarHBondContact O-OG1 3.49Å
82V84Confident85.7Confident4 Ų468.8 Ų68.82%0.02435%0.352CS..Hα-helixtrans-58.4-49.4175.2175.40000110.4F43 F78 V79 L84 T85 T86 V94 I96F43-V82 HydrophobicContact CE1-CG2 4.38Å; F43-V82 HydrophobicContact CE2-CB 4.16Å; F43-V82 HydrophobicContact CE2-CG1 4.33Å; F43-V82 HydrophobicContact CE2-CG2 3.54Å; F43-V82 HydrophobicContact CZ-CB 4.45Å; F43-V82 HydrophobicContact CZ-CG2 3.4Å; F43-V82 VanDerWaalsContact CZ-CG2 3.4Å; F78-V82 HydrophobicContact CD1-CG2 4.04Å; F78-V82 HydrophobicContact CE1-CG2 3.64Å; F78-V82 HydrophobicContact CE2-CG2 4.31Å; F78-V82 HydrophobicContact CZ-CG2 3.78Å; F78-V82 VanDerWaalsContact O-CG2 3.3Å; F78-V82 WeakPolarHBondContact O-CG2 3.34Å; F78-V82 PolarHBondContact O-N 3.37Å; V79-V82 PolarHBondContact O-N 2.9Å; V82-L84 PolarHBondContact O-N 3.13Å; V82-T85 WeakPolarHBondContact O-CB 3.04Å; V82-T85 PolarHBondContact O-N 3.46Å; V82-T85 VanDerWaalsContact O-N 3.16Å; V82-T86 HydrophobicContact CG1-CG2 4.1Å; V82-T86 WeakPolarHBondContact O-CG2 3.47Å; V82-T86 PolarHBondContact O-N 2.92Å; V82-T86 PolarHBondContact O-OG1 3.16Å; V82-T86 VanDerWaalsContact O-OG1 3.1Å; V82-V94 HydrophobicContact CG1-CB 3.92Å; V82-V94 HydrophobicContact CG1-CG1 4.14Å; V82-V94 HydrophobicContact CG1-CG2 4.02Å; V82-V94 HydrophobicContact CG2-CG1 4.23Å; V82-I96 HydrophobicContact CB-CD1 4.35Å; V82-I96 HydrophobicContact CB-CG1 4.38Å; V82-I96 HydrophobicContact CG1-CD1 3.96Å; V82-I96 HydrophobicContact CG1-CG1 3.92Å; V82-I96 HydrophobicContact CG2-CG1 4.3Å
83Q86Confident85.2Confident108 Ų10871.1 Ų71.151%0.50537%0.365SS..Hα-helixtrans-57.1-51.1-179.6-74.6170.1-17.800112.1V79 R80 T85 T86 V87V79-Q83 HydrophobicContact CG1-CG 4.45Å; V79-Q83 VanDerWaalsContact O-CG 3.28Å; V79-Q83 WeakPolarHBondContact O-CG 3.4Å; V79-Q83 PolarHBondContact O-N 2.82Å; R80-Q83 PolarHBondContact O-N 2.86Å; Q83-T85 PolarHBondContact O-N 2.98Å; Q83-T86 WeakPolarHBondContact CA-OG1 3.47Å; Q83-T86 PolarHBondContact O-N 2.83Å; Q83-T86 PolarHBondContact O-OG1 3.48Å; Q83-V87 VanDerWaalsContact O-CG2 3.29Å; Q83-V87 WeakPolarHBondContact O-CG2 3.29Å; Q83-V87 PolarHBondContact O-N 2.7Å
84L83.8Confident84.7Confident70 Ų7068.9 Ų68.937%0.36635%0.353SS..Hα-helixtrans-59.6-39.3178.3-70.2172.6000111.9N60 R80 L81 V82 V87 Q88N60-L84 WeakPolarHBondContact ND2-CD1 3.31Å; R80-L84 HydrophobicContact CG-CD1 4.15Å; R80-L84 WeakPolarHBondContact O-CG 3.38Å; R80-L84 PolarHBondContact O-N 3.37Å; L81-L84 PolarHBondContact O-N 3.4Å; V82-L84 PolarHBondContact O-N 3.13Å; L84-V87 PolarHBondContact O-N 2.94Å; L84-Q88 PolarHBondContact O-N 2.82Å
85T78.4Confident84.6Confident1 Ų172.8 Ų72.81%0.00638%0.38CS..Hα-helixtrans-67.7-44.5178.5-58.30000111.4V46 I47 I50 L81 V82 Q83 V87 Q88 F89 L92V46-T85 HydrophobicContact CB-CG2 4.19Å; V46-T85 HydrophobicContact CG1-CG2 3.48Å; V46-T85 VanDerWaalsContact CG1-CG2 3.48Å; I47-T85 HydrophobicContact CD1-CG2 3.65Å; I47-T85 WeakPolarHBondContact CD1-OG1 3.33Å; I47-T85 HydrophobicContact CG1-CG2 4.39Å; I50-T85 HydrophobicContact CD1-CG2 3.57Å; I50-T85 WeakPolarHBondContact CD1-OG1 3.45Å; L81-T85 VanDerWaalsContact O-CB 3.28Å; L81-T85 WeakPolarHBondContact O-CB 3.4Å; L81-T85 PolarHBondContact O-N 3.08Å; L81-T85 PolarHBondContact O-OG1 3.49Å; V82-T85 WeakPolarHBondContact O-CB 3.04Å; V82-T85 PolarHBondContact O-N 3.46Å; V82-T85 VanDerWaalsContact O-N 3.16Å; Q83-T85 PolarHBondContact O-N 2.98Å; T85-V87 VanDerWaalsContact C-N 3.26Å; T85-V87 PolarHBondContact O-N 2.87Å; T85-Q88 PolarHBondContact O-N 3.35Å; T85-Q88 VanDerWaalsContact O-N 3.12Å; T85-F89 HydrophobicContact CG2-CD2 4.4Å; T85-F89 PolarHBondContact O-N 3.49Å; T85-L92 HydrophobicContact CG2-CD2 3.29Å
86T81.2Confident84.4Confident47 Ų4770.6 Ų70.629%0.28837%0.374SS..Hα-helixtrans-66.4-26.8177.552.90000112.8V82 Q83 F89 P90 L92 V94V82-T86 HydrophobicContact CG1-CG2 4.1Å; V82-T86 WeakPolarHBondContact O-CG2 3.47Å; V82-T86 PolarHBondContact O-N 2.92Å; V82-T86 PolarHBondContact O-OG1 3.16Å; V82-T86 VanDerWaalsContact O-OG1 3.1Å; Q83-T86 WeakPolarHBondContact CA-OG1 3.47Å; Q83-T86 PolarHBondContact O-N 2.83Å; Q83-T86 PolarHBondContact O-OG1 3.48Å; T86-F89 CarbonylContact O-C 3.28Å; T86-F89 VanDerWaalsContact O-C 3.28Å; T86-P90 VanDerWaalsContact O-CA 3.3Å; T86-P90 WeakPolarHBondContact O-CA 3.24Å; T86-L92 HydrophobicContact CG2-CB 4.43Å; T86-V94 HydrophobicContact CG2-CG2 4.42Å
87V85.5Confident84.4Confident115 Ų11568.8 Ų68.870%0.69737%0.366SS*.Hα-helixtrans-66.9-42171.1174.30000111Q83 L84 T85Q83-V87 VanDerWaalsContact O-CG2 3.29Å; Q83-V87 WeakPolarHBondContact O-CG2 3.29Å; Q83-V87 PolarHBondContact O-N 2.7Å; L84-V87 PolarHBondContact O-N 2.94Å; T85-V87 VanDerWaalsContact C-N 3.26Å; T85-V87 PolarHBondContact O-N 2.87Å
88Q80.3Confident84.4Confident118 Ų11867.1 Ų67.155%0.55137%0.366SS*.Hα-helixtrans-75.5-31.8178.5-67.9179.8-2.200112.6L84 T85L84-Q88 PolarHBondContact O-N 2.82Å; T85-Q88 PolarHBondContact O-N 3.35Å; T85-Q88 VanDerWaalsContact O-N 3.12Å
89F81.2Confident84.4Confident63 Ų6367.7 Ų67.728%0.27637%0.368SS..  trans-130.680.7-176.7-58.7-84.3000110.1V46 I50 T85 T86 S91 L92V46-F89 HydrophobicContact CG1-CB 4.16Å; V46-F89 HydrophobicContact CG1-CD1 4.26Å; V46-F89 HydrophobicContact CG1-CD2 3.17Å; V46-F89 HydrophobicContact CG1-CE2 3.51Å; V46-F89 HydrophobicContact CG1-CG 3.6Å; V46-F89 HydrophobicContact CG1-CZ 4.17Å; I50-F89 HydrophobicContact CD1-CD2 4.17Å; I50-F89 HydrophobicContact CD1-CE2 3.86Å; I50-F89 HydrophobicContact CG1-CE2 3.97Å; T85-F89 HydrophobicContact CG2-CD2 4.4Å; T85-F89 PolarHBondContact O-N 3.49Å; T86-F89 CarbonylContact O-C 3.28Å; T86-F89 VanDerWaalsContact O-C 3.28Å; F89-S91 PolarHBondContact O-N 3.31Å; F89-S91 VanDerWaalsContact O-N 3.12Å; F89-L92 HydrophobicContact CB-CB 4.33Å; F89-L92 WeakPolarHBondContact O-CB 2.76Å; F89-L92 PolarHBondContact O-N 3.31Å
90P81.6Confident84.4Confident113 Ų11366.2 Ų66.273%0.73436%0.359SS*.THydrogen-bonded Turntrans-63.5-18.9-174.4-25.535.9000115.2T86 L92T86-P90 VanDerWaalsContact O-CA 3.3Å; T86-P90 WeakPolarHBondContact O-CA 3.24Å; P90-L92 PolarHBondContact O-N 2.95Å
91S82.4Confident84.6Confident110 Ų11063.2 Ų63.277%0.76935%0.352SS*.THydrogen-bonded Turntrans-77.3-5175.754.90000113.7F89 D93F89-S91 PolarHBondContact O-N 3.31Å; F89-S91 VanDerWaalsContact O-N 3.12Å; S91-D93 PolarHBondContact O-N 3.4Å
92L76.5Confident84.9Confident13 Ų1365.9 Ų65.97%0.06836%0.363CS..  trans-79.3108.8-175.3-161.363.5000111.4F41 F43 V46 T85 T86 F89 P90 V94F41-L92 VanDerWaalsContact O-CD1 3.28Å; F41-L92 WeakPolarHBondContact O-CD1 3.45Å; F43-L92 HydrophobicContact CB-CD1 4.38Å; F43-L92 HydrophobicContact CB-CG 4.48Å; F43-L92 HydrophobicContact CD2-CD2 3.73Å; F43-L92 HydrophobicContact CD2-CG 4.38Å; V46-L92 HydrophobicContact CB-CD1 4.25Å; V46-L92 HydrophobicContact CB-CD2 3.95Å; V46-L92 HydrophobicContact CG1-CD2 4.11Å; V46-L92 HydrophobicContact CG2-CD1 3.55Å; V46-L92 HydrophobicContact CG2-CD2 4.08Å; V46-L92 HydrophobicContact CG2-CG 4.42Å; T85-L92 HydrophobicContact CG2-CD2 3.29Å; T86-L92 HydrophobicContact CG2-CB 4.43Å; F89-L92 HydrophobicContact CB-CB 4.33Å; F89-L92 WeakPolarHBondContact O-CB 2.76Å; F89-L92 PolarHBondContact O-N 3.31Å; P90-L92 PolarHBondContact O-N 2.95Å; L92-V94 HydrophobicContact CD2-CG2 4.07Å; L92-V94 HydrophobicContact CG-CG2 3.78Å
93D80.1Confident85.2Confident153 Ų15366.1 Ų66.182%0.81836%0.363SS*.  trans-92.6113.2174.5-174.818.8000110.6S91S91-D93 PolarHBondContact O-N 3.4Å
94V79.9Confident85.5Confident21 Ų2165.1 Ų65.113%0.12736%0.357CS..  trans-124.9112.3-176-164.10000110.1F43 V82 T86 L92 I96F43-V94 HydrophobicContact CB-CG1 4.16Å; F43-V94 HydrophobicContact CB-CG2 3.87Å; F43-V94 HydrophobicContact CD1-CG1 4.03Å; F43-V94 HydrophobicContact CD2-CB 4.15Å; F43-V94 HydrophobicContact CD2-CG1 3.75Å; F43-V94 HydrophobicContact CD2-CG2 3.27Å; F43-V94 HydrophobicContact CE1-CG1 4.39Å; F43-V94 HydrophobicContact CE2-CG1 4.12Å; F43-V94 HydrophobicContact CE2-CG2 4.03Å; F43-V94 HydrophobicContact CG-CB 4.37Å; F43-V94 HydrophobicContact CG-CG1 3.68Å; F43-V94 HydrophobicContact CG-CG2 3.76Å; F43-V94 HydrophobicContact CZ-CG1 4.42Å; V82-V94 HydrophobicContact CG1-CB 3.92Å; V82-V94 HydrophobicContact CG1-CG1 4.14Å; V82-V94 HydrophobicContact CG1-CG2 4.02Å; V82-V94 HydrophobicContact CG2-CG1 4.23Å; T86-V94 HydrophobicContact CG2-CG2 4.42Å; L92-V94 HydrophobicContact CD2-CG2 4.07Å; L92-V94 HydrophobicContact CG-CG2 3.78Å; V94-I96 VanDerWaalsContact C-N 3.33Å; V94-I96 PolarHBondContact O-N 3.18Å
95C87.8Confident85.9Confident82 Ų8267.8 Ų67.855%0.55437%0.366SS*.  trans-76.887.2167.6-172.60000109.9E97 S98 E99C95-E97 VanDerWaalsContact C-N 3.31Å; C95-E97 PolarHBondContact O-N 2.88Å; C95-S98 PolarHBondContact O-N 3.15Å; C95-S98 VanDerWaalsContact O-N 3.13Å; C95-S98 WeakPolarHBondContact SG-CB 3.39Å; C95-E99 PolarHBondContact O-N 3Å; C95-E99 VanDerWaalsContact O-N 3.13Å
96I88.3Confident86.5Confident49 Ų4973.1 Ų73.125%0.25139%0.387SS..Hα-helixtrans-49.2-49.8-177-67.9177.7000111.8F78 V79 V82 V94 S98 E99 L100F78-I96 HydrophobicContact CD1-CG2 4.35Å; F78-I96 HydrophobicContact CE1-CG2 4.2Å; V79-I96 HydrophobicContact CG2-CG2 3.83Å; V82-I96 HydrophobicContact CB-CD1 4.35Å; V82-I96 HydrophobicContact CB-CG1 4.38Å; V82-I96 HydrophobicContact CG1-CD1 3.96Å; V82-I96 HydrophobicContact CG1-CG1 3.92Å; V82-I96 HydrophobicContact CG2-CG1 4.3Å; V94-I96 VanDerWaalsContact C-N 3.33Å; V94-I96 PolarHBondContact O-N 3.18Å; I96-S98 VanDerWaalsContact C-N 3.34Å; I96-S98 PolarHBondContact O-N 3.04Å; I96-E99 PolarHBondContact O-N 2.96Å; I96-L100 HydrophobicContact CG2-CD1 3.7Å; I96-L100 HydrophobicContact CG2-CG 4.26Å; I96-L100 WeakPolarHBondContact O-CB 3.47Å; I96-L100 VanDerWaalsContact O-CG 3.31Å; I96-L100 WeakPolarHBondContact O-CG 3.17Å; I96-L100 PolarHBondContact O-N 3.03Å
97E92.1Very high86.9Confident96 Ų9671.2 Ų71.245%0.44938%0.376SS..Hα-helixtrans-67.3-35.3-175.2-159.564.1-146.100112.2R75 C95 Q101R75-E97 IonicContact CZ-OE1 3.94Å; R75-E97 IonicContact CZ-OE2 3.44Å; R75-E97 IonicContact NH1-OE1 3.04Å; R75-E97 PolarHBondContact NH1-OE1 2.84Å; R75-E97 IonicContact NH1-OE2 3.28Å; R75-E97 PolarHBondContact NH1-OE2 2.82Å; R75-E97 IonicContact NH2-OE1 3.9Å; R75-E97 IonicContact NH2-OE2 2.79Å; R75-E97 PolarHBondContact NH2-OE2 2.96Å; C95-E97 VanDerWaalsContact C-N 3.31Å; C95-E97 PolarHBondContact O-N 2.88Å; E97-Q101 WeakPolarHBondContact O-CB 3.21Å; E97-Q101 PolarHBondContact O-N 2.84Å
98S90.2Very high87.2Confident54 Ų5470.8 Ų70.838%0.37837%0.366SS..Hα-helixtrans-65.9-42.7176.3-176.20000111.8C95 I96 Q101 K102C95-S98 PolarHBondContact O-N 3.15Å; C95-S98 VanDerWaalsContact O-N 3.13Å; C95-S98 WeakPolarHBondContact SG-CB 3.39Å; I96-S98 VanDerWaalsContact C-N 3.34Å; I96-S98 PolarHBondContact O-N 3.04Å; S98-Q101 PolarHBondContact O-N 3.27Å; S98-K102 WeakPolarHBondContact O-CG 3.44Å; S98-K102 PolarHBondContact O-N 3.49Å
99E88.4Confident87.7Confident12 Ų1270.8 Ų70.86%0.05636%0.364CS..Hα-helixtrans-68.5-44.2176.4-67.8-53.414100111.7R29 H44 F78 C95 I96 Q101 K102 Y103R29-E99 IonicContact NH2-OE1 3.21Å; H44-E99 IonicContact CE1-OE1 3.7Å; H44-E99 IonicContact CE1-OE2 2.9Å; H44-E99 IonicContact NE2-OE2 3.94Å; H44-E99 PolarHBondContact NE2-OE2 3.5Å; F78-E99 HydrophobicContact CE1-CB 4.1Å; F78-E99 HydrophobicContact CZ-CB 3.61Å; F78-E99 HydrophobicContact CZ-CG 4.37Å; C95-E99 PolarHBondContact O-N 3Å; C95-E99 VanDerWaalsContact O-N 3.13Å; I96-E99 PolarHBondContact O-N 2.96Å; E99-Q101 VanDerWaalsContact C-N 3.28Å; E99-Q101 PolarHBondContact O-N 2.68Å; E99-K102 WeakPolarHBondContact O-CB 3.43Å; E99-K102 PolarHBondContact O-N 3.28Å; E99-K102 IonicContact OE1-NZ 2.7Å; E99-K102 PolarHBondContact OE1-NZ 3.18Å; E99-K102 IonicContact OE2-NZ 2.75Å; E99-K102 PolarHBondContact OE2-NZ 3.17Å; E99-Y103 VanDerWaalsContact O-CD2 3.22Å; E99-Y103 WeakPolarHBondContact O-CD2 3.35Å; E99-Y103 PolarHBondContact O-N 3.22Å
100L91.2Very high88.1Confident3 Ų369 Ų692%0.01636%0.358CS..Hα-helixtrans-57.2-41.7174.1-72.9174000111.9F71 F74 R75 F78 I96 K102 Y103 K104F71-L100 HydrophobicContact CZ-CD2 4.44Å; F71-L100 WeakPolarHBondContact CZ-O 3.37Å; F74-L100 HydrophobicContact CD1-CD2 4.19Å; F74-L100 HydrophobicContact CE1-CD2 4.13Å; R75-L100 HydrophobicContact CB-CD1 4.47Å; R75-L100 HydrophobicContact CB-CD2 4.2Å; R75-L100 HydrophobicContact CG-CD1 3.77Å; R75-L100 HydrophobicContact CG-CD2 4.36Å; F78-L100 HydrophobicContact CB-CD2 4.01Å; F78-L100 HydrophobicContact CD1-CD1 4.48Å; F78-L100 HydrophobicContact CD1-CD2 3.52Å; F78-L100 HydrophobicContact CD1-CG 3.8Å; F78-L100 HydrophobicContact CE1-CD2 4.22Å; F78-L100 HydrophobicContact CE1-CG 4.1Å; F78-L100 HydrophobicContact CG-CD2 3.89Å; I96-L100 HydrophobicContact CG2-CD1 3.7Å; I96-L100 HydrophobicContact CG2-CG 4.26Å; I96-L100 WeakPolarHBondContact O-CB 3.47Å; I96-L100 VanDerWaalsContact O-CG 3.31Å; I96-L100 WeakPolarHBondContact O-CG 3.17Å; I96-L100 PolarHBondContact O-N 3.03Å; L100-K102 VanDerWaalsContact C-N 3.26Å; L100-K102 PolarHBondContact O-N 3.27Å; L100-Y103 PolarHBondContact O-N 3.33Å; L100-K104 WeakPolarHBondContact O-CB 3.31Å; L100-K104 PolarHBondContact O-N 2.8Å
101Q92.7Very high88.5Confident90 Ų9067.4 Ų67.442%0.42135%0.346SS..Hα-helixtrans-63.2-32.5177.5-172.759.546.100112.6E97 S98 E99 K105E97-Q101 WeakPolarHBondContact O-CB 3.21Å; E97-Q101 PolarHBondContact O-N 2.84Å; S98-Q101 PolarHBondContact O-N 3.27Å; E99-Q101 VanDerWaalsContact C-N 3.28Å; E99-Q101 PolarHBondContact O-N 2.68Å; Q101-K105 WeakPolarHBondContact O-CG 3.43Å; Q101-K105 PolarHBondContact O-N 3.17Å
102K90.7Very high88.9Confident62 Ų6266.1 Ų66.127%0.2734%0.337SS..Hα-helixtrans-70.8-48.3173.2-65.2171.2-168.9169.30111.2S98 E99 L100 K104 K105 Y106S98-K102 WeakPolarHBondContact O-CG 3.44Å; S98-K102 PolarHBondContact O-N 3.49Å; E99-K102 WeakPolarHBondContact O-CB 3.43Å; E99-K102 PolarHBondContact O-N 3.28Å; E99-K102 IonicContact OE1-NZ 2.7Å; E99-K102 PolarHBondContact OE1-NZ 3.18Å; E99-K102 IonicContact OE2-NZ 2.75Å; E99-K102 PolarHBondContact OE2-NZ 3.17Å; L100-K102 VanDerWaalsContact C-N 3.26Å; L100-K102 PolarHBondContact O-N 3.27Å; K102-K104 PolarHBondContact O-N 3.02Å; K102-K105 WeakPolarHBondContact O-CB 3.31Å; K102-K105 PolarHBondContact O-N 3.32Å; K102-K105 VanDerWaalsContact O-N 3.12Å; K102-Y106 HydrophobicContact CB-CE2 4.29Å; K102-Y106 WeakPolarHBondContact O-CD2 3.2Å; K102-Y106 PolarHBondContact O-N 2.95Å
103Y91Very high89.5Confident8 Ų867.2 Ų67.23%0.03134%0.343CS..Hα-helixtrans-60-37.1177.6-79.4-67.1000112V24 Y26 L67 F74 F78 E99 L100 K105 Y106 A107V24-Y103 HydrophobicContact CG1-CD1 4.29Å; V24-Y103 HydrophobicContact CG1-CE1 3.5Å; V24-Y103 VanDerWaalsContact CG1-CE1 3.5Å; Y26-Y103 HydrophobicContact CD1-CE2 4.06Å; Y26-Y103 AromaticContact CD1-CZ 3.69Å; Y26-Y103 WeakPolarHBondContact CD1-OH 3.45Å; Y26-Y103 AromaticContact CE1-CE2 3.94Å; Y26-Y103 HydrophobicContact CE1-CE2 3.94Å; Y26-Y103 AromaticContact CE1-CZ 3.71Å; Y26-Y103 WeakPolarHBondContact CE1-OH 3.29Å; L67-Y103 HydrophobicContact CD1-CD1 4.16Å; L67-Y103 HydrophobicContact CD1-CG 4.48Å; L67-Y103 HydrophobicContact CD2-CD1 4.5Å; F74-Y103 HydrophobicContact CE1-CD1 4.35Å; F74-Y103 HydrophobicContact CE1-CD2 4.13Å; F74-Y103 AromaticContact CE1-CG 3.75Å; F74-Y103 HydrophobicContact CE1-CG 3.75Å; F74-Y103 AromaticContact CZ-CD1 3.76Å; F74-Y103 HydrophobicContact CZ-CD1 3.76Å; F74-Y103 HydrophobicContact CZ-CD2 4.06Å; F74-Y103 HydrophobicContact CZ-CE1 4.41Å; F74-Y103 AromaticContact CZ-CG 3.6Å; F74-Y103 HydrophobicContact CZ-CG 3.6Å; F78-Y103 HydrophobicContact CE2-CD2 4.39Å; F78-Y103 HydrophobicContact CE2-CE2 4.09Å; E99-Y103 VanDerWaalsContact O-CD2 3.22Å; E99-Y103 WeakPolarHBondContact O-CD2 3.35Å; E99-Y103 PolarHBondContact O-N 3.22Å; L100-Y103 PolarHBondContact O-N 3.33Å; Y103-K105 PolarHBondContact O-N 2.96Å; Y103-Y106 HydrophobicContact CD1-CD2 4.05Å; Y103-Y106 HydrophobicContact CE1-CD2 4.35Å; Y103-Y106 WeakPolarHBondContact O-CB 3.15Å; Y103-Y106 PolarHBondContact O-N 2.53Å; Y103-Y106 VanDerWaalsContact O-N 3.12Å; Y103-A107 WeakPolarHBondContact O-CB 3.47Å; Y103-A107 PolarHBondContact O-N 2.86Å
104K92.1Very high90Very high87 Ų8763 Ų6338%0.37834%0.336SS..Hα-helixtrans-58.5-47173.7-169.9172.1178174.90112F71 L100 K102 Y106 A107 E108F71-K104 HydrophobicContact CD1-CB 4.49Å; F71-K104 HydrophobicContact CD1-CD 4.47Å; F71-K104 HydrophobicContact CD1-CG 4.38Å; F71-K104 HydrophobicContact CD2-CB 4.48Å; F71-K104 HydrophobicContact CE1-CB 3.85Å; F71-K104 HydrophobicContact CE1-CD 4.3Å; F71-K104 HydrophobicContact CE1-CG 4.18Å; F71-K104 HydrophobicContact CE2-CB 3.86Å; F71-K104 HydrophobicContact CE2-CG 4.44Å; F71-K104 VanDerWaalsContact CE2-N 3.34Å; F71-K104 HydrophobicContact CZ-CB 3.51Å; F71-K104 HydrophobicContact CZ-CG 4.24Å; L100-K104 WeakPolarHBondContact O-CB 3.31Å; L100-K104 PolarHBondContact O-N 2.8Å; K102-K104 PolarHBondContact O-N 3.02Å; K104-Y106 VanDerWaalsContact C-N 3.29Å; K104-Y106 PolarHBondContact O-N 2.82Å; K104-A107 WeakPolarHBondContact O-CB 3.48Å; K104-A107 PolarHBondContact O-N 3.07Å; K104-E108 WeakPolarHBondContact CE-OE1 3.45Å; K104-E108 WeakPolarHBondContact O-CG 3.25Å; K104-E108 PolarHBondContact O-N 3.49Å
105K92.3Very high90.6Very high127 Ų12762.2 Ų62.255%0.55233%0.331SS*.Hα-helixtrans-61.6-37.1175.2-68.9175.7-178.8-178.20112.1Q101 K102 Y103 K109Q101-K105 WeakPolarHBondContact O-CG 3.43Å; Q101-K105 PolarHBondContact O-N 3.17Å; K102-K105 WeakPolarHBondContact O-CB 3.31Å; K102-K105 PolarHBondContact O-N 3.32Å; K102-K105 VanDerWaalsContact O-N 3.12Å; Y103-K105 PolarHBondContact O-N 2.96Å; K105-K109 WeakPolarHBondContact O-CB 3.36Å; K105-K109 PolarHBondContact O-N 3.08Å
106Y90.5Very high90.8Very high113 Ų11359.6 Ų59.644%0.44331%0.313SS..Hα-helixtrans-68.3-43.5175.8-61.2-34.2000112.3K102 Y103 K104 K109 L110K102-Y106 HydrophobicContact CB-CE2 4.29Å; K102-Y106 WeakPolarHBondContact O-CD2 3.2Å; K102-Y106 PolarHBondContact O-N 2.95Å; Y103-Y106 HydrophobicContact CD1-CD2 4.05Å; Y103-Y106 HydrophobicContact CE1-CD2 4.35Å; Y103-Y106 WeakPolarHBondContact O-CB 3.15Å; Y103-Y106 PolarHBondContact O-N 2.53Å; Y103-Y106 VanDerWaalsContact O-N 3.12Å; K104-Y106 VanDerWaalsContact C-N 3.29Å; K104-Y106 PolarHBondContact O-N 2.82Å; Y106-K109 PolarHBondContact O-N 2.85Å; Y106-L110 WeakPolarHBondContact O-CB 3.12Å; Y106-L110 WeakPolarHBondContact O-CG 3.41Å; Y106-L110 PolarHBondContact O-N 2.97Å
107A91.2Very high91.1Very high7 Ų759.3 Ų59.36%0.05831%0.314CS..Hα-helixtrans-56.4-56.1174.200000110.6L67 F71 Y103 K104 K109 L110 T111L67-A107 HydrophobicContact CD1-CB 3.91Å; L67-A107 HydrophobicContact CG-CB 3.88Å; L67-A107 WeakPolarHBondContact O-CB 3.32Å; F71-A107 HydrophobicContact CD2-CB 4.1Å; F71-A107 HydrophobicContact CE2-CB 4.43Å; Y103-A107 WeakPolarHBondContact O-CB 3.47Å; Y103-A107 PolarHBondContact O-N 2.86Å; K104-A107 WeakPolarHBondContact O-CB 3.48Å; K104-A107 PolarHBondContact O-N 3.07Å; A107-K109 PolarHBondContact O-N 3.4Å; A107-L110 PolarHBondContact O-N 3.35Å; A107-T111 PolarHBondContact O-N 3.45Å; A107-T111 PolarHBondContact O-OG1 3.29Å
108E91.7Very high91.3Very high105 Ų10557.7 Ų57.749%0.49131%0.309SS..Hα-helixtrans-53.6-41.8177.9-71.9168.2-179.200111.6K104 S112K104-E108 WeakPolarHBondContact CE-OE1 3.45Å; K104-E108 WeakPolarHBondContact O-CG 3.25Å; K104-E108 PolarHBondContact O-N 3.49Å; E108-S112 VanDerWaalsContact O-CB 3.24Å; E108-S112 WeakPolarHBondContact O-CB 3.48Å; E108-S112 PolarHBondContact O-N 2.89Å; E108-S112 PolarHBondContact O-OG 2.92Å
109K90.3Very high91.5Very high118 Ų11856.2 Ų56.251%0.51330%0.297SS..Hα-helixtrans-66.8-45.8178-168.958.6167.4-177.80112.1K105 Y106 A107 S112 L113K105-K109 WeakPolarHBondContact O-CB 3.36Å; K105-K109 PolarHBondContact O-N 3.08Å; Y106-K109 PolarHBondContact O-N 2.85Å; A107-K109 PolarHBondContact O-N 3.4Å; K109-S112 PolarHBondContact O-N 3.49Å; K109-S112 PolarHBondContact O-OG 3.16Å; K109-L113 HydrophobicContact CD-CD1 4.08Å; K109-L113 HydrophobicContact CD-CG 4.39Å; K109-L113 HydrophobicContact CG-CD1 3.98Å; K109-L113 WeakPolarHBondContact O-CB 3.24Å; K109-L113 WeakPolarHBondContact O-CD1 3.4Å; K109-L113 VanDerWaalsContact O-CG 3.24Å; K109-L113 WeakPolarHBondContact O-CG 3.49Å; K109-L113 PolarHBondContact O-N 2.97Å; K109-L113 VanDerWaalsContact O-N 3.17Å
110L90.1Very high91.9Very high26 Ų2658.3 Ų58.314%0.13631%0.311CS..Hα-helixtrans-61.1-45.4177.6-74.3172000111.4I18 I64 L67 Y106 A107 L113 G114 V116I18-L110 HydrophobicContact CD1-CD2 3.64Å; I64-L110 HydrophobicContact CD1-CD1 4.42Å; L67-L110 HydrophobicContact CD2-CD1 4.06Å; Y106-L110 WeakPolarHBondContact O-CB 3.12Å; Y106-L110 WeakPolarHBondContact O-CG 3.41Å; Y106-L110 PolarHBondContact O-N 2.97Å; A107-L110 PolarHBondContact O-N 3.35Å; L110-L113 PolarHBondContact O-N 2.87Å; L110-G114 PolarHBondContact O-N 2.75Å; L110-G114 VanDerWaalsContact O-N 3.16Å; L110-V116 HydrophobicContact CB-CG2 4.13Å; L110-V116 HydrophobicContact CD1-CG2 4.48Å; L110-V116 HydrophobicContact CD2-CG2 4.37Å
111T88.6Confident92.1Very high79 Ų7965.3 Ų65.349%0.48534%0.337SS..Hα-helixtrans-61.1-49.8176.1-48.80000110.8N68 A107 L113 G114N68-T111 WeakPolarHBondContact OD1-CA 3.13Å; N68-T111 PolarHBondContact OD1-N 3.11Å; N68-T111 PolarHBondContact OD1-OG1 2.97Å; A107-T111 PolarHBondContact O-N 3.45Å; A107-T111 PolarHBondContact O-OG1 3.29Å; T111-L113 PolarHBondContact O-N 3.26Å; T111-L113 VanDerWaalsContact O-N 3.11Å; T111-G114 PolarHBondContact O-N 3.31Å
112S90.3Very high92.2Very high84 Ų8465.9 Ų65.959%0.58734%0.336SS*.Hα-helixtrans-60.2-25.8-178.973.80000113.8E108 K109E108-S112 VanDerWaalsContact O-CB 3.24Å; E108-S112 WeakPolarHBondContact O-CB 3.48Å; E108-S112 PolarHBondContact O-N 2.89Å; E108-S112 PolarHBondContact O-OG 2.92Å; K109-S112 PolarHBondContact O-N 3.49Å; K109-S112 PolarHBondContact O-OG 3.16Å
113L90Very high92.5Very high35 Ų3564.1 Ų64.118%0.18333%0.329CS..Hα-helixtrans-95.9-9.8-178.8-66.7171.6000113.2M1 W12 Q13 K109 L110 T111 L115M1-L113 HydrophobicContact CE-CD1 4.35Å; W12-L113 HydrophobicContact CH2-CD1 3.8Å; W12-L113 HydrophobicContact CH2-CD2 4.26Å; W12-L113 HydrophobicContact CZ2-CD2 4.36Å; Q13-L113 HydrophobicContact CG-CD2 3.93Å; K109-L113 HydrophobicContact CD-CD1 4.08Å; K109-L113 HydrophobicContact CD-CG 4.39Å; K109-L113 HydrophobicContact CG-CD1 3.98Å; K109-L113 WeakPolarHBondContact O-CB 3.24Å; K109-L113 WeakPolarHBondContact O-CD1 3.4Å; K109-L113 VanDerWaalsContact O-CG 3.24Å; K109-L113 WeakPolarHBondContact O-CG 3.49Å; K109-L113 PolarHBondContact O-N 2.97Å; K109-L113 VanDerWaalsContact O-N 3.17Å; L110-L113 PolarHBondContact O-N 2.87Å; T111-L113 PolarHBondContact O-N 3.26Å; T111-L113 VanDerWaalsContact O-N 3.11Å; L113-L115 VanDerWaalsContact C-N 3.27Å; L113-L115 HydrophobicContact CB-CD1 3.88Å; L113-L115 HydrophobicContact CB-CD2 4.13Å; L113-L115 HydrophobicContact CB-CG 3.59Å; L113-L115 HydrophobicContact CD1-CD1 3.87Å; L113-L115 PolarHBondContact O-N 3.24Å
114G91Very high92.7Very high66 Ų6668 Ų6868%0.6835%0.348SS*.THydrogen-bonded Turntrans60.132.6179.600000114.1L110 T111L110-G114 PolarHBondContact O-N 2.75Å; L110-G114 VanDerWaalsContact O-N 3.16Å; T111-G114 PolarHBondContact O-N 3.31Å
115L91.6Very high92.8Very high3 Ų367.1 Ų67.12%0.01635%0.347CS..  trans-85.8-19.5-172.8-56.4178.4000113.6W12 Q13 L16 I17 I18 L113W12-L115 HydrophobicContact CZ3-CD1 4.25Å; Q13-L115 WeakPolarHBondContact O-CD2 3.21Å; L16-L115 HydrophobicContact CB-CD2 4.39Å; L16-L115 HydrophobicContact CD2-CD1 4.06Å; L16-L115 WeakPolarHBondContact O-CD2 3.34Å; I17-L115 CarbonylContact C-O 3.49Å; I17-L115 WeakPolarHBondContact CA-O 3.22Å; I18-L115 HydrophobicContact CD1-CB 4.2Å; I18-L115 HydrophobicContact CD1-CD1 4.35Å; I18-L115 HydrophobicContact CG1-CB 4.45Å; I18-L115 PolarHBondContact N-O 3.04Å; L113-L115 VanDerWaalsContact C-N 3.27Å; L113-L115 HydrophobicContact CB-CD1 3.88Å; L113-L115 HydrophobicContact CB-CD2 4.13Å; L113-L115 HydrophobicContact CB-CG 3.59Å; L113-L115 HydrophobicContact CD1-CD1 3.87Å; L113-L115 PolarHBondContact O-N 3.24Å
116V93.6Very high92.9Very high28 Ų2861.6 Ų61.617%0.1733%0.325CS..EExtended strand (participates in β ladder)trans-90.8129.8-172.6-178.70000110I18 E20 I64 N68 L110I18-V116 WeakPolarHBondContact O-CA 3.5Å; E20-V116 HydrophobicContact CB-CG1 3.86Å; I64-V116 HydrophobicContact CG2-CB 4.27Å; I64-V116 HydrophobicContact CG2-CG1 3.62Å; I64-V116 HydrophobicContact CG2-CG2 3.57Å; N68-V116 HydrophobicContact CB-CG2 4.45Å; L110-V116 HydrophobicContact CB-CG2 4.13Å; L110-V116 HydrophobicContact CD1-CG2 4.48Å; L110-V116 HydrophobicContact CD2-CG2 4.37Å
117C93.8Very high93.1Very high42 Ų4257.7 Ų57.728%0.28431%0.312SS..EExtended strand (participates in β ladder)trans-153.9175.3172.279.60000113.5I17 I18 E20 T119I17-C117 WeakPolarHBondContact CG2-SG 3.33Å; I18-C117 PolarHBondContact O-N 3.23Å; E20-C117 PolarHBondContact N-O 3.16Å; C117-T119 PolarHBondContact O-N 2.85Å
118N95.5Very high93.3Very high63 Ų6359.7 Ų59.734%0.33733%0.326SS..  trans-70.290.3165.8-175.4-15.5000110.4E20 R21 V120 R121 Y122E20-N118 WeakPolarHBondContact OE1-CB 3.43Å; R21-N118 PolarHBondContact NH1-OD1 3.13Å; N118-V120 VanDerWaalsContact C-N 3.27Å; N118-V120 PolarHBondContact O-N 3.05Å; N118-V120 PolarHBondContact OD1-N 2.84Å; N118-R121 HydrophobicContact CB-CB 4.35Å; N118-R121 PolarHBondContact O-N 3.43Å; N118-R121 PolarHBondContact OD1-N 3.12Å; N118-Y122 PolarHBondContact O-N 2.84Å
119T96Very high93.3Very high22 Ų2255.8 Ų55.814%0.13531%0.314CS..Hα-helixtrans-67.2-24.4-177.8520000114.1I17 S19 C117 Y122 L123I17-T119 HydrophobicContact CG2-CG2 3.88Å; S19-T119 VanDerWaalsContact CA-CG2 3.46Å; S19-T119 WeakPolarHBondContact CB-OG1 3.2Å; S19-T119 PolarHBondContact OG-OG1 3.3Å; C117-T119 PolarHBondContact O-N 2.85Å; T119-Y122 PolarHBondContact O-N 3.49Å; T119-L123 WeakPolarHBondContact O-CB 3.11Å; T119-L123 VanDerWaalsContact O-CG 3.31Å; T119-L123 WeakPolarHBondContact O-CG 3.11Å; T119-L123 PolarHBondContact O-N 3.08Å
120V96.1Very high93.5Very high57 Ų5756.9 Ų56.935%0.34533%0.333SS..Hα-helixtrans-64.3-48175.81770000109.3N118 H124N118-V120 VanDerWaalsContact C-N 3.27Å; N118-V120 PolarHBondContact O-N 3.05Å; N118-V120 PolarHBondContact OD1-N 2.84Å; V120-H124 WeakPolarHBondContact O-CB 3.38Å; V120-H124 PolarHBondContact O-N 3.12Å
121R95.6Very high93.7Very high150 Ų15061.3 Ų61.357%0.56636%0.361SS*.Hα-helixtrans-62-48.2174.2177.762.9-169.4-168.89111.1N118 L123 H124 D125N118-R121 HydrophobicContact CB-CB 4.35Å; N118-R121 PolarHBondContact O-N 3.43Å; N118-R121 PolarHBondContact OD1-N 3.12Å; R121-L123 PolarHBondContact O-N 3.35Å; R121-H124 PolarHBondContact O-N 2.89Å; R121-D125 IonicContact CZ-OD1 3.17Å; R121-D125 IonicContact CZ-OD2 3.49Å; R121-D125 VanDerWaalsContact CZ-OD2 3.3Å; R121-D125 IonicContact NE-OD1 2.99Å; R121-D125 PolarHBondContact NE-OD1 3.02Å; R121-D125 IonicContact NE-OD2 3.88Å; R121-D125 PolarHBondContact NE-OD2 2.76Å; R121-D125 IonicContact NH1-OD1 3.63Å; R121-D125 IonicContact NH2-OD1 2.85Å; R121-D125 PolarHBondContact NH2-OD1 2.66Å; R121-D125 IonicContact NH2-OD2 2.73Å; R121-D125 PolarHBondContact NH2-OD2 3.24Å; R121-D125 VanDerWaalsContact NH2-OD2 3.12Å; R121-D125 WeakPolarHBondContact O-CB 3.44Å; R121-D125 PolarHBondContact O-N 3.09Å
122Y95.1Very high93.9Very high101 Ų10161.8 Ų61.840%0.39637%0.365SS..Hα-helixtrans-54.8-48.8179.3178-91.1000112.6I17 N118 T119 D125 A126I17-Y122 HydrophobicContact CD1-CD1 4.23Å; I17-Y122 HydrophobicContact CD1-CD2 3.82Å; I17-Y122 HydrophobicContact CD1-CE1 3.72Å; I17-Y122 HydrophobicContact CD1-CE2 3.23Å; I17-Y122 HydrophobicContact CD1-CG 4.29Å; I17-Y122 WeakPolarHBondContact CD1-OH 2.88Å; N118-Y122 PolarHBondContact O-N 2.84Å; T119-Y122 PolarHBondContact O-N 3.49Å; Y122-D125 PolarHBondContact O-N 3.29Å; Y122-A126 WeakPolarHBondContact O-CB 3.33Å; Y122-A126 PolarHBondContact O-N 2.73Å
123L95.6Very high94.2Very high25 Ų2563.5 Ų63.513%0.13136%0.362CS..Hα-helixtrans-67.8-40.8179.7-74.4174000111.5T119 R121 D125 A126 L127 L163T119-L123 WeakPolarHBondContact O-CB 3.11Å; T119-L123 VanDerWaalsContact O-CG 3.31Å; T119-L123 WeakPolarHBondContact O-CG 3.11Å; T119-L123 PolarHBondContact O-N 3.08Å; R121-L123 PolarHBondContact O-N 3.35Å; L123-D125 VanDerWaalsContact C-N 3.33Å; L123-D125 PolarHBondContact O-N 3.32Å; L123-A126 PolarHBondContact O-N 3.48Å; L123-L127 WeakPolarHBondContact O-CB 3.26Å; L123-L127 VanDerWaalsContact O-CG 3.25Å; L123-L127 WeakPolarHBondContact O-CG 3.46Å; L123-L127 PolarHBondContact O-N 3.48Å; L123-L163 HydrophobicContact CD1-CB 3.97Å; L123-L163 HydrophobicContact CD1-CD2 4.19Å
124H95.3Very high94.5Very high91 Ų9170 Ų7042%0.42140%0.397SS..Hα-helixtrans-64-40.4178.3-167.1-87.4000112.1V120 R121 L127 S128V120-H124 WeakPolarHBondContact O-CB 3.38Å; V120-H124 PolarHBondContact O-N 3.12Å; R121-H124 PolarHBondContact O-N 2.89Å; H124-L127 PolarHBondContact O-N 2.92Å; H124-S128 PolarHBondContact CE1-OG 2.9Å; H124-S128 VanDerWaalsContact O-CB 3.22Å; H124-S128 WeakPolarHBondContact O-CB 3.25Å; H124-S128 PolarHBondContact O-N 3.35Å; H124-S128 PolarHBondContact O-OG 3.2Å
125D94.8Very high94.7Very high67 Ų6770 Ų7036%0.35838%0.384SS..Hα-helixtrans-66.9-39.8174.6-72.1-8.3000111.5R121 Y122 L123 L127 G129R121-D125 IonicContact CZ-OD1 3.17Å; R121-D125 IonicContact CZ-OD2 3.49Å; R121-D125 VanDerWaalsContact CZ-OD2 3.3Å; R121-D125 IonicContact NE-OD1 2.99Å; R121-D125 PolarHBondContact NE-OD1 3.02Å; R121-D125 IonicContact NE-OD2 3.88Å; R121-D125 PolarHBondContact NE-OD2 2.76Å; R121-D125 IonicContact NH1-OD1 3.63Å; R121-D125 IonicContact NH2-OD1 2.85Å; R121-D125 PolarHBondContact NH2-OD1 2.66Å; R121-D125 IonicContact NH2-OD2 2.73Å; R121-D125 PolarHBondContact NH2-OD2 3.24Å; R121-D125 VanDerWaalsContact NH2-OD2 3.12Å; R121-D125 WeakPolarHBondContact O-CB 3.44Å; R121-D125 PolarHBondContact O-N 3.09Å; Y122-D125 PolarHBondContact O-N 3.29Å; L123-D125 VanDerWaalsContact C-N 3.33Å; L123-D125 PolarHBondContact O-N 3.32Å; D125-L127 VanDerWaalsContact C-N 3.32Å; D125-L127 PolarHBondContact O-N 3.19Å; D125-G129 WeakPolarHBondContact O-CA 3.38Å; D125-G129 PolarHBondContact O-N 3.34Å
126A94.4Very high94.9Very high12 Ų1277.8 Ų77.810%0.09943%0.425CS..Hα-helixtrans-62.1-39.2174.100000112.4Y122 L123 K133Y122-A126 WeakPolarHBondContact O-CB 3.33Å; Y122-A126 PolarHBondContact O-N 2.73Å; L123-A126 PolarHBondContact O-N 3.48Å; A126-K133 HydrophobicContact CB-CB 4.43Å; A126-K133 HydrophobicContact CB-CD 4.05Å; A126-K133 HydrophobicContact CB-CG 4.45Å; A126-K133 WeakPolarHBondContact O-CB 3.22Å; A126-K133 PolarHBondContact O-N 2.9Å
127L95.1Very high95.1Very high30 Ų3079.2 Ų79.216%0.15743%0.433CS..Hα-helixtrans-83.1-24.1-178-70170000113.9L123 H124 D125 V135 I165 R169L123-L127 WeakPolarHBondContact O-CB 3.26Å; L123-L127 VanDerWaalsContact O-CG 3.25Å; L123-L127 WeakPolarHBondContact O-CG 3.46Å; L123-L127 PolarHBondContact O-N 3.48Å; H124-L127 PolarHBondContact O-N 2.92Å; D125-L127 VanDerWaalsContact C-N 3.32Å; D125-L127 PolarHBondContact O-N 3.19Å; L127-V135 HydrophobicContact CD2-CB 4.33Å; L127-V135 HydrophobicContact CD2-CG2 3.69Å; L127-V135 HydrophobicContact CG-CG2 4.28Å; L127-I165 HydrophobicContact CD1-CG2 4.11Å; L127-R169 HydrophobicContact CD1-CB 4.5Å; L127-R169 HydrophobicContact CD1-CG 4.47Å
128S94Very high95.2Very high50 Ų5086.1 Ų86.135%0.3546%0.461SS..Hα-helixtrans-119.1-2-172.1-43.50000114.1H124 R169H124-S128 PolarHBondContact CE1-OG 2.9Å; H124-S128 VanDerWaalsContact O-CB 3.22Å; H124-S128 WeakPolarHBondContact O-CB 3.25Å; H124-S128 PolarHBondContact O-N 3.35Å; H124-S128 PolarHBondContact O-OG 3.2Å; S128-R169 PolarHBondContact OG-NH2 3.49Å
129G92.3Very high95.1Very high23 Ų2386 Ų8624%0.23748%0.475CS..SBendtrans-63.5173.5178.800000113.2D125 T131 P132D125-G129 WeakPolarHBondContact O-CA 3.38Å; D125-G129 PolarHBondContact O-N 3.34Å; G129-T131 PolarHBondContact O-N 2.9Å; G129-T131 VanDerWaalsContact O-N 3.08Å; G129-P132 VanDerWaalsContact O-CD 3.25Å; G129-P132 WeakPolarHBondContact O-CD 3.36Å; G129-P132 WeakPolarHBondContact O-CG 3.35Å
130P94.2Very high94.8Very high141 Ų14188 Ų8892%0.91649%0.494SS*.SBendtrans-61-21.7-178.825.7-35.2000113.2
131T94.5Very high94.5Very high118 Ų11891 Ų9172%0.72451%0.508SS*.SBendtrans-126.187.1169.5-48.50000108.1G129 K133G129-T131 PolarHBondContact O-N 2.9Å; G129-T131 VanDerWaalsContact O-N 3.08Å; T131-K133 PolarHBondContact O-N 2.96Å
132P94Very high93.8Very high89 Ų8985.3 Ų85.358%0.57850%0.496SS*.PPolyproline II helixtrans-55.5134.1-179.7-27.536.4000111.8G129G129-P132 VanDerWaalsContact O-CD 3.25Å; G129-P132 WeakPolarHBondContact O-CD 3.36Å; G129-P132 WeakPolarHBondContact O-CG 3.35Å
133K95.4Very high92.7Very high120 Ų12081.9 Ų81.952%0.52249%0.486SS..PPolyproline II helixtrans-91148.5-179.7-62.2-171.4-178.41770111.6A126 T131A126-K133 HydrophobicContact CB-CB 4.43Å; A126-K133 HydrophobicContact CB-CD 4.05Å; A126-K133 HydrophobicContact CB-CG 4.45Å; A126-K133 WeakPolarHBondContact O-CB 3.22Å; A126-K133 PolarHBondContact O-N 2.9Å; T131-K133 PolarHBondContact O-N 2.96Å
134N95.7Very high91.6Very high171 Ų17185 Ų8591%0.91450%0.498SS*.PPolyproline II helixtrans-78.8126165.1-67.7-30.5000109.5
135V96Very high90.4Very high68 Ų6881.5 Ų81.541%0.41248%0.483SS..  trans-112.8122.2177.9178.60000108.5L127 V137L127-V135 HydrophobicContact CD2-CB 4.33Å; L127-V135 HydrophobicContact CD2-CG2 3.69Å; L127-V135 HydrophobicContact CG-CG2 4.28Å; V135-V137 HydrophobicContact CG1-CG2 4.2Å
136L97Very high89.8Confident166 Ų16687.2 Ų87.287%0.86950%0.501SS*.  trans-98.7130.5169.1178.864.1000108.4
137V96.8Very high89.2Confident57 Ų5790.3 Ų90.335%0.34552%0.52SS..  trans-110.6122.3175.2-174.40000108.5V135 V159 L163V135-V137 HydrophobicContact CG1-CG2 4.2Å; V137-V159 HydrophobicContact CB-CG1 4.4Å; V137-V159 HydrophobicContact CG1-CG1 4.09Å; V137-V159 HydrophobicContact CG1-CG2 4.06Å; V137-V159 HydrophobicContact CG2-CG1 4.14Å; V137-L163 HydrophobicContact CB-CD1 4.41Å; V137-L163 HydrophobicContact CG1-CD1 3.94Å; V137-L163 HydrophobicContact CG2-CD1 3.52Å
138E96.2Very high88.7Confident187 Ų18794.4 Ų94.487%0.87453%0.534SS*.  trans-86.1112.7173.4-174.3-179.216300109.1
139G93.4Very high88.2Confident60 Ų6094.7 Ų94.762%0.61953%0.534SS*.  trans-72.4137.7172.500000111
140A90Very high87.7Confident66 Ų6696.1 Ų96.155%0.54554%0.538SS..  trans-96.8142.7173.200000111C154A140-C154 WeakPolarHBondContact O-CB 3.49Å; A140-C154 PolarHBondContact O-SG 3.08Å
141N88.8Confident87Confident120 Ų12095.5 Ų95.564%0.64252%0.518SS*.SBendtrans60-156.1179.9-52.689.1000113T150N141-T150 HydrophobicContact CB-CG2 4.08Å
142G81.3Confident86.4Confident29 Ų2995.8 Ų95.830%0.29952%0.515SS..  trans-152.5174.4-17700000111.7F144G142-F144 WeakPolarHBondContact O-CD2 3.42Å
143T72.1Confident86.3Confident30 Ų3096 Ų9618%0.18451%0.511CS..  trans-73.8120.9-180-48.30000110.7Y228 S229T143-Y228 HydrophobicContact CG2-CD1 3.84Å; T143-Y228 HydrophobicContact CG2-CE1 3.55Å; T143-S229 PolarHBondContact OG1-OG 2.87Å; T143-S229 VanDerWaalsContact OG1-OG 3.07Å
144F72.1Confident86.2Confident89 Ų8992.1 Ų92.139%0.3950%0.499SS..  trans-141.8172-179.9-63.4-71.1000111.9G142 V149G142-F144 WeakPolarHBondContact O-CD2 3.42Å; F144-V149 HydrophobicContact CB-CG1 3.93Å; F144-V149 WeakPolarHBondContact O-CG1 3.26Å
145T70.1Confident86.2Confident19 Ų1985.1 Ų85.112%0.11746%0.463CS..  trans-93.5124.9-175.854.80000112.2Y148 V149 R183 F273T145-Y148 PolarHBondContact O-N 2.93Å; T145-Y148 VanDerWaalsContact O-N 3.17Å; T145-V149 VanDerWaalsContact C-CG1 3.4Å; T145-R183 PolarHBondContact OG1-NH1 2.92Å; T145-F273 HydrophobicContact CG2-CD1 3.64Å; T145-F273 HydrophobicContact CG2-CE1 3.8Å; T145-F273 HydrophobicContact CG2-CG 4.06Å; T145-F273 HydrophobicContact CG2-CZ 4.32Å
146Y81.8Confident86.1Confident187 Ų18783.4 Ų83.473%0.73345%0.453SS*.THydrogen-bonded Turntrans-54.7147.2173-175.8-88.2000112Y148 V149Y146-Y148 VanDerWaalsContact C-N 3.33Å; Y146-V149 HydrophobicContact CD2-CG2 4Å
147P82.6Confident86Confident77 Ų7776.5 Ų76.550%0.542%0.421SS..THydrogen-bonded Turncis-82.10.2-233.7-36.8000114.7V149P147-V149 PolarHBondContact O-N 3.27Å
148Y83.7Confident85.9Confident115 Ų11574.6 Ų74.645%0.45141%0.413SS..SBendtrans-84.452-173.6-50.8-79.5000112.1T145 Y146 D186 G187T145-Y148 PolarHBondContact O-N 2.93Å; T145-Y148 VanDerWaalsContact O-N 3.17Å; Y146-Y148 VanDerWaalsContact C-N 3.33Å; Y148-D186 HydrophobicContact CD1-CB 4.14Å; Y148-D186 HydrophobicContact CE1-CB 3.88Å; Y148-G187 VanDerWaalsContact CD2-CA 3.43Å; Y148-G187 VanDerWaalsContact CE2-CA 3.4Å
149V84.4Confident85.9Confident56 Ų5667.3 Ų67.334%0.33938%0.381SS..SBendtrans-128.3162.3-173.4-63.30000110.3F144 T145 Y146 P147F144-V149 HydrophobicContact CB-CG1 3.93Å; F144-V149 WeakPolarHBondContact O-CG1 3.26Å; T145-V149 VanDerWaalsContact C-CG1 3.4Å; Y146-V149 HydrophobicContact CD2-CG2 4Å; P147-V149 PolarHBondContact O-N 3.27Å
150T82.5Confident86Confident53 Ų5366.4 Ų66.433%0.32536%0.362SS..  trans-72.9157.6160.8-176.10000109.6N141 N152 C154N141-T150 HydrophobicContact CB-CG2 4.08Å; T150-N152 VanDerWaalsContact C-N 3.29Å; T150-C154 WeakPolarHBondContact CG2-SG 3.46Å
151R77.9Confident86.2Confident129 Ų12968.8 Ų68.849%0.48737%0.37SS..SBendtrans-84.3-5.7-179.2-51.1-157-154.9-174.810.1113.6E52E52-R151 VanDerWaalsContact O-CD 3.23Å; E52-R151 WeakPolarHBondContact O-CD 3.49Å; E52-R151 PolarHBondContact O-NH1 2.9Å; E52-R151 IonicContact OE2-CZ 3.29Å; E52-R151 IonicContact OE2-NE 3.6Å; E52-R151 PolarHBondContact OE2-NE 3.03Å; E52-R151 IonicContact OE2-NH2 3.63Å; E52-R151 PolarHBondContact OE2-NH2 3.41Å
152N83.6Confident86.5Confident124 Ų12466 Ų6666%0.66337%0.37SS*.SBendtrans-87.2150.9175.1-67.7-37000111.5T150 C154T150-N152 VanDerWaalsContact C-N 3.29Å; N152-C154 PolarHBondContact O-N 3.36Å
153N90.4Very high87.2Confident93 Ų9367.1 Ų67.150%0.49737%0.369SS..  trans-74.3105.7169.5-173.2-16000110.1S155N153-S155 VanDerWaalsContact C-N 3.33Å; N153-S155 WeakPolarHBondContact OD1-CB 3.24Å; N153-S155 PolarHBondContact OD1-N 3.47Å; N153-S155 PolarHBondContact OD1-OG 3.46Å
154C94Very high88.3Confident39 Ų3967.9 Ų67.926%0.26438%0.383SS..  trans-89.65.6179.6-61.10000114.3A140 T150 N152A140-C154 WeakPolarHBondContact O-CB 3.49Å; A140-C154 PolarHBondContact O-SG 3.08Å; T150-C154 WeakPolarHBondContact CG2-SG 3.46Å; N152-C154 PolarHBondContact O-N 3.36Å
155S94.5Very high89.3Confident23 Ų2365.1 Ų65.116%0.16137%0.371CS..SBendtrans-89.6176175.974.60000111.9N153 G157 G158 N233N153-S155 VanDerWaalsContact C-N 3.33Å; N153-S155 WeakPolarHBondContact OD1-CB 3.24Å; N153-S155 PolarHBondContact OD1-N 3.47Å; N153-S155 PolarHBondContact OD1-OG 3.46Å; S155-G157 PolarHBondContact O-N 2.87Å; S155-G157 VanDerWaalsContact O-N 3.08Å; S155-G157 PolarHBondContact OG-N 2.93Å; S155-G158 PolarHBondContact O-N 2.92Å; S155-N233 WeakPolarHBondContact CA-OD1 3.27Å; S155-N233 VanDerWaalsContact CB-OD1 3.26Å; S155-N233 WeakPolarHBondContact CB-OD1 3.23Å
156V94.9Very high90.3Very high33 Ų3367.6 Ų67.620%0.238%0.384CS..Hα-helixtrans-50.9-30.7170.368.30000113G158 V159 L160 I173 N233V156-G158 VanDerWaalsContact C-N 3.25Å; V156-G158 PolarHBondContact O-N 2.89Å; V156-V159 WeakPolarHBondContact O-CB 3.39Å; V156-V159 PolarHBondContact O-N 3.41Å; V156-V159 VanDerWaalsContact O-N 3.07Å; V156-L160 PolarHBondContact O-N 2.96Å; V156-I173 HydrophobicContact CB-CD1 4.23Å; V156-I173 HydrophobicContact CG2-CD1 3.65Å; V156-I173 HydrophobicContact CG2-CG1 4.45Å; V156-N233 PolarHBondContact N-OD1 3.2Å
157G94.9Very high90.9Very high20 Ų2063 Ų6321%0.20638%0.377CS..Hα-helixtrans-59-36.8175.400000113S155 V159 L160 T161S155-G157 PolarHBondContact O-N 2.87Å; S155-G157 VanDerWaalsContact O-N 3.08Å; S155-G157 PolarHBondContact OG-N 2.93Å; G157-V159 VanDerWaalsContact C-N 3.31Å; G157-V159 PolarHBondContact O-N 3.06Å; G157-L160 PolarHBondContact O-N 3.11Å; G157-T161 PolarHBondContact O-N 2.97Å; G157-T161 VanDerWaalsContact O-N 3.07Å; G157-T161 PolarHBondContact O-OG1 3.35Å
158G94.7Very high91.5Very high17 Ų1770.7 Ų70.718%0.17540%0.396CS..Hα-helixtrans-67.8-28.4176.200000113.7S155 V156 G162S155-G158 PolarHBondContact O-N 2.92Å; V156-G158 VanDerWaalsContact C-N 3.25Å; V156-G158 PolarHBondContact O-N 2.89Å; G158-G162 WeakPolarHBondContact O-CA 3.48Å; G158-G162 PolarHBondContact O-N 3.16Å
159V95.2Very high91.9Very high35 Ų3570.3 Ų70.321%0.21239%0.394CS..Hα-helixtrans-65.1-45.7172.7176.40000110.1V137 V156 G157 L163 I165V137-V159 HydrophobicContact CB-CG1 4.4Å; V137-V159 HydrophobicContact CG1-CG1 4.09Å; V137-V159 HydrophobicContact CG1-CG2 4.06Å; V137-V159 HydrophobicContact CG2-CG1 4.14Å; V156-V159 WeakPolarHBondContact O-CB 3.39Å; V156-V159 PolarHBondContact O-N 3.41Å; V156-V159 VanDerWaalsContact O-N 3.07Å; G157-V159 VanDerWaalsContact C-N 3.31Å; G157-V159 PolarHBondContact O-N 3.06Å; V159-L163 HydrophobicContact CG1-CD1 4Å; V159-L163 VanDerWaalsContact O-CB 3.32Å; V159-L163 WeakPolarHBondContact O-CB 3.34Å; V159-L163 WeakPolarHBondContact O-CG 3.4Å; V159-L163 PolarHBondContact O-N 3.08Å; V159-L163 VanDerWaalsContact O-N 3.1Å; V159-I165 HydrophobicContact CG1-CD1 4.05Å
160L95.9Very high92.4Very high41 Ų4170 Ų7022%0.21539%0.391CS..Hα-helixtrans-65.5-50.9-178.8-56.5179.5000111.4V156 G157 G164 I165 P167 V170V156-L160 PolarHBondContact O-N 2.96Å; G157-L160 PolarHBondContact O-N 3.11Å; L160-G164 WeakPolarHBondContact O-CA 3.26Å; L160-G164 PolarHBondContact O-N 3.04Å; L160-I165 HydrophobicContact CD2-CG1 4.1Å; L160-I165 PolarHBondContact O-N 2.86Å; L160-P167 HydrophobicContact CD1-CB 4.28Å; L160-P167 HydrophobicContact CD1-CG 3.91Å; L160-V170 HydrophobicContact CD2-CG2 3.83Å
161T94.8Very high93Very high116 Ų11671.8 Ų71.871%0.71241%0.407SS*.Hα-helixtrans-71.8-36.5-17857.90000112.4G157G157-T161 PolarHBondContact O-N 2.97Å; G157-T161 VanDerWaalsContact O-N 3.07Å; G157-T161 PolarHBondContact O-OG1 3.35Å
162G94.5Very high93.9Very high62 Ų6271.1 Ų71.164%0.63941%0.409SS*.Hα-helixtrans-75.1-29.7-178.200000114.5G158G158-G162 WeakPolarHBondContact O-CA 3.48Å; G158-G162 PolarHBondContact O-N 3.16Å
163L96Very high94.6Very high52 Ų5267 Ų6727%0.27239%0.386SS..Hα-helixtrans-104.7-14.3-178.6-60.5-179.6000114L123 V137 V159 I165L123-L163 HydrophobicContact CD1-CB 3.97Å; L123-L163 HydrophobicContact CD1-CD2 4.19Å; V137-L163 HydrophobicContact CB-CD1 4.41Å; V137-L163 HydrophobicContact CG1-CD1 3.94Å; V137-L163 HydrophobicContact CG2-CD1 3.52Å; V159-L163 HydrophobicContact CG1-CD1 4Å; V159-L163 VanDerWaalsContact O-CB 3.32Å; V159-L163 WeakPolarHBondContact O-CB 3.34Å; V159-L163 WeakPolarHBondContact O-CG 3.4Å; V159-L163 PolarHBondContact O-N 3.08Å; V159-L163 VanDerWaalsContact O-N 3.1Å; L163-I165 HydrophobicContact CB-CG1 4.32Å; L163-I165 HydrophobicContact CB-CG2 4.17Å; L163-I165 HydrophobicContact CD1-CD1 4.45Å
164G95Very high94.9Very high46 Ų4665.8 Ų65.847%0.47438%0.379SS..THydrogen-bonded Turntrans67.835-175.900000112.9L160L160-G164 WeakPolarHBondContact O-CA 3.26Å; L160-G164 PolarHBondContact O-N 3.04Å
165I93.6Very high95.1Very high30 Ų3064 Ų6415%0.15437%0.368CS..  trans-103.5146.1176.164.7173.6000110.4L127 V159 L160 L163 V170L127-I165 HydrophobicContact CD1-CG2 4.11Å; V159-I165 HydrophobicContact CG1-CD1 4.05Å; L160-I165 HydrophobicContact CD2-CG1 4.1Å; L160-I165 PolarHBondContact O-N 2.86Å; L163-I165 HydrophobicContact CB-CG1 4.32Å; L163-I165 HydrophobicContact CB-CG2 4.17Å; L163-I165 HydrophobicContact CD1-CD1 4.45Å; I165-V170 HydrophobicContact CD1-CG2 4.39Å
166N91.5Very high95.2Very high72 Ų7268.8 Ų68.839%0.38539%0.39SS..  trans-79.1152.8177.777.162.2000111.5R168 R169N166-R168 PolarHBondContact O-N 3.32Å; N166-R168 VanDerWaalsContact O-N 3.11Å; N166-R168 WeakPolarHBondContact OD1-CA 3.41Å; N166-R168 VanDerWaalsContact OD1-CB 3.26Å; N166-R168 WeakPolarHBondContact OD1-CB 3.31Å; N166-R168 PolarHBondContact OD1-N 3.18Å; N166-R169 WeakPolarHBondContact O-CB 3.36Å; N166-R169 PolarHBondContact O-N 3.09Å; N166-R169 PolarHBondContact OD1-N 2.82Å
167P94.7Very high95.2Very high89 Ų8967.4 Ų67.458%0.57838%0.381SS*.G310 helixtrans-56.4-30.2-177.3-23.229.2000114.7L160 R169 V170L160-P167 HydrophobicContact CD1-CB 4.28Å; L160-P167 HydrophobicContact CD1-CG 3.91Å; P167-R169 PolarHBondContact O-N 2.78Å; P167-R169 VanDerWaalsContact O-N 3.16Å; P167-V170 PolarHBondContact O-N 2.94Å
168R94.4Very high95.3Very high239 Ų23968.6 Ų68.690%0.90238%0.381SS*.G310 helixtrans-69.3-10.8-178.9-56.6-178.8174.9174.8-1.9113.3N166N166-R168 PolarHBondContact O-N 3.32Å; N166-R168 VanDerWaalsContact O-N 3.11Å; N166-R168 WeakPolarHBondContact OD1-CA 3.41Å; N166-R168 VanDerWaalsContact OD1-CB 3.26Å; N166-R168 WeakPolarHBondContact OD1-CB 3.31Å; N166-R168 PolarHBondContact OD1-N 3.18Å
169R93Very high95.4Very high108 Ų10867.8 Ų67.841%0.40837%0.373SS..G310 helixtrans-87.5-9.6176.4-62.5-61.4-170174.62.7113.4L127 S128 N166 P167 S171L127-R169 HydrophobicContact CD1-CB 4.5Å; L127-R169 HydrophobicContact CD1-CG 4.47Å; S128-R169 PolarHBondContact OG-NH2 3.49Å; N166-R169 WeakPolarHBondContact O-CB 3.36Å; N166-R169 PolarHBondContact O-N 3.09Å; N166-R169 PolarHBondContact OD1-N 2.82Å; P167-R169 PolarHBondContact O-N 2.78Å; P167-R169 VanDerWaalsContact O-N 3.16Å; R169-S171 PolarHBondContact O-N 2.59Å
170V95Very high95.5Very high48 Ų4866.1 Ų66.129%0.29136%0.363SS..  trans-87.1110.6179.4-177.30000109.3L160 I165 P167 I173L160-V170 HydrophobicContact CD2-CG2 3.83Å; I165-V170 HydrophobicContact CD1-CG2 4.39Å; P167-V170 PolarHBondContact O-N 2.94Å; V170-I173 HydrophobicContact CG1-CD1 3.94Å; V170-I173 HydrophobicContact CG1-CG1 3.6Å
171S94.8Very high95.5Very high92 Ų9265 Ų6564%0.64336%0.356SS*.  trans-94.7-38.9-178.554.90000113.6R169R169-S171 PolarHBondContact O-N 2.59Å
172H96.4Very high95.6Very high114 Ų11460.7 Ų60.753%0.52833%0.329SS..  trans-135.5135.2-178.1-63.6-49.2000110.5
173I97.3Very high95.5Very high39 Ų3958.6 Ų58.620%0.230%0.302CS..  trans-123.2114.5171.9-49176.6000105.7V156 V170 N233 F235 T236 K237V156-I173 HydrophobicContact CB-CD1 4.23Å; V156-I173 HydrophobicContact CG2-CD1 3.65Å; V156-I173 HydrophobicContact CG2-CG1 4.45Å; V170-I173 HydrophobicContact CG1-CD1 3.94Å; V170-I173 HydrophobicContact CG1-CG1 3.6Å; I173-N233 WeakPolarHBondContact CD1-O 3.41Å; I173-F235 HydrophobicContact CG2-CD1 3.75Å; I173-F235 HydrophobicContact CG2-CE1 4.18Å; I173-T236 PolarHBondContact N-OG1 3.1Å; I173-T236 PolarHBondContact O-N 2.85Å; I173-T236 PolarHBondContact O-OG1 3.41Å; I173-K237 PolarHBondContact O-N 3.02Å
174I97.8Very high95.1Very high67 Ų6759.9 Ų59.934%0.34431%0.312SS..EExtended strand (participates in β ladder)trans-104.7116.3-176.6-56.3171000108I176 K237 A239 Y320I174-I176 HydrophobicContact CG2-CD1 4Å; I174-I176 PolarHBondContact O-N 3.07Å; I174-K237 CarbonylContact C-O 3.56Å; I174-K237 WeakPolarHBondContact CA-O 3.31Å; I174-A239 HydrophobicContact CG2-CB 4.01Å; I174-Y320 HydrophobicContact CD1-CE2 3.99Å; I174-Y320 HydrophobicContact CG2-CD2 4.44Å
175G97.2Very high94.7Very high2 Ų258.5 Ų58.52%0.02130%0.298CS..EExtended strand (participates in β ladder)trans-81.6112.6173.400000110.4V177 F235 K237 L238 A239G175-V177 PolarHBondContact O-N 3.28Å; G175-F235 VanDerWaalsContact CA-CD1 3.48Å; G175-F235 VanDerWaalsContact CA-CE1 3.48Å; G175-K237 PolarHBondContact N-O 3.1Å; G175-L238 CarbonylContact O-C 3.53Å; G175-L238 WeakPolarHBondContact O-CA 3.23Å; G175-A239 PolarHBondContact O-N 2.89Å
176I96.9Very high94.2Very high122 Ų12262.2 Ų62.263%0.62632%0.318SS*.EExtended strand (participates in β ladder)trans-80.5111.5172.4-47.8-55.9000108.3I174 A239I174-I176 HydrophobicContact CG2-CD1 4Å; I174-I176 PolarHBondContact O-N 3.07Å; I176-A239 HydrophobicContact CD1-CB 3.63Å
177V96Very high94.1Very high4 Ų459.5 Ų59.52%0.02431%0.307CS..EExtended strand (participates in β ladder)trans-115.8127.2-177.7178.40000108G175 L221 R226 L238 A239 L240 A241G175-V177 PolarHBondContact O-N 3.28Å; V177-L221 HydrophobicContact CG1-CD1 3.94Å; V177-R226 HydrophobicContact CG1-CG 4.4Å; V177-L238 HydrophobicContact CG2-CD2 4.12Å; V177-A239 PolarHBondContact N-O 3.07Å; V177-A239 VanDerWaalsContact O-O 3.11Å; V177-L240 HydrophobicContact CB-CD1 4.35Å; V177-L240 HydrophobicContact CG1-CD1 4.06Å; V177-L240 CarbonylContact O-C 3.55Å; V177-L240 VanDerWaalsContact O-CA 3.3Å; V177-L240 WeakPolarHBondContact O-CA 3.29Å; V177-A241 PolarHBondContact O-N 3.05Å
178K97.1Very high93.8Very high46 Ų4656.5 Ų56.520%0.229%0.288CS..EExtended strand (participates in β ladder)trans-81.5144.4169.8-170.7-176.6-59.3-176.30108.5Y180 T182 E207 L221 A241 K242K178-Y180 VanDerWaalsContact CB-O 3.24Å; K178-Y180 WeakPolarHBondContact CB-O 3.33Å; K178-Y180 HydrophobicContact CD-CD1 4.19Å; K178-Y180 HydrophobicContact CD-CD2 3.9Å; K178-Y180 HydrophobicContact CD-CE1 3.84Å; K178-Y180 HydrophobicContact CD-CE2 3.54Å; K178-Y180 HydrophobicContact CD-CG 4.22Å; K178-Y180 WeakPolarHBondContact CD-O 3.32Å; K178-Y180 HydrophobicContact CG-CD1 4.06Å; K178-Y180 HydrophobicContact CG-CE1 3.91Å; K178-Y180 HydrophobicContact CG-CE2 4.43Å; K178-Y180 HydrophobicContact CG-CG 4.37Å; K178-Y180 VanDerWaalsContact CG-O 3.28Å; K178-Y180 WeakPolarHBondContact CG-O 3.49Å; K178-Y180 PolarHBondContact O-N 3.46Å; K178-T182 HydrophobicContact CD-CG2 4.09Å; K178-T182 VanDerWaalsContact NZ-CG2 3.33Å; K178-T182 PolarHBondContact NZ-OG1 3.33Å; K178-E207 VanDerWaalsContact NZ-CD 3.27Å; K178-E207 IonicContact NZ-OE1 2.74Å; K178-E207 PolarHBondContact NZ-OE1 2.98Å; K178-E207 IonicContact NZ-OE2 3.12Å; K178-E207 PolarHBondContact NZ-OE2 3.21Å; K178-L221 WeakPolarHBondContact O-CD1 3.48Å; K178-A241 WeakPolarHBondContact CA-O 3.4Å; K178-K242 HydrophobicContact CD-CD 4.13Å; K178-K242 HydrophobicContact CG-CB 4.06Å; K178-K242 HydrophobicContact CG-CD 4.36Å; K178-K242 HydrophobicContact CG-CG 4.38Å
179A97Very high93.8Very high0 Ų046.4 Ų46.40%025%0.25CS..SBendtrans-64.1-4.2177.900000114.3L240 A241 F243 L246 Y306A179-L240 HydrophobicContact CB-CD1 4.19Å; A179-L240 HydrophobicContact CB-CG 4.36Å; A179-A241 PolarHBondContact N-O 3.35Å; A179-F243 HydrophobicContact CB-CB 4.41Å; A179-F243 HydrophobicContact CB-CD2 4.16Å; A179-L246 HydrophobicContact CB-CD1 3.82Å; A179-L246 HydrophobicContact CB-CG 4.37Å; A179-Y306 HydrophobicContact CB-CE1 4.21Å; A179-Y306 PolarHBondContact O-OH 2.85Å
180Y97.4Very high93.7Very high0 Ų042.6 Ų42.60%024%0.24CC..SBendtrans-150162173.658.7-85.1000108K178 T182 L201 G205 E207 G219 K242 V245 L246K178-Y180 VanDerWaalsContact CB-O 3.24Å; K178-Y180 WeakPolarHBondContact CB-O 3.33Å; K178-Y180 HydrophobicContact CD-CD1 4.19Å; K178-Y180 HydrophobicContact CD-CD2 3.9Å; K178-Y180 HydrophobicContact CD-CE1 3.84Å; K178-Y180 HydrophobicContact CD-CE2 3.54Å; K178-Y180 HydrophobicContact CD-CG 4.22Å; K178-Y180 WeakPolarHBondContact CD-O 3.32Å; K178-Y180 HydrophobicContact CG-CD1 4.06Å; K178-Y180 HydrophobicContact CG-CE1 3.91Å; K178-Y180 HydrophobicContact CG-CE2 4.43Å; K178-Y180 HydrophobicContact CG-CG 4.37Å; K178-Y180 VanDerWaalsContact CG-O 3.28Å; K178-Y180 WeakPolarHBondContact CG-O 3.49Å; K178-Y180 PolarHBondContact O-N 3.46Å; Y180-T182 HydrophobicContact CD2-CG2 3.85Å; Y180-T182 HydrophobicContact CE2-CG2 3.53Å; Y180-L201 HydrophobicContact CD1-CD2 4.21Å; Y180-L201 HydrophobicContact CD2-CD1 4.47Å; Y180-L201 HydrophobicContact CD2-CD2 4.24Å; Y180-L201 HydrophobicContact CG-CD2 3.98Å; Y180-G205 WeakPolarHBondContact OH-CA 3.01Å; Y180-E207 HydrophobicContact CE2-CG 4.04Å; Y180-E207 PolarHBondContact OH-OE1 3.23Å; Y180-G219 WeakPolarHBondContact CB-O 3.35Å; Y180-K242 HydrophobicContact CE1-CB 3.88Å; Y180-K242 HydrophobicContact CE1-CD 4.41Å; Y180-K242 VanDerWaalsContact OH-CD 3.23Å; Y180-K242 WeakPolarHBondContact OH-CD 3.48Å; Y180-V245 HydrophobicContact CD1-CB 4.37Å; Y180-V245 HydrophobicContact CD1-CG1 4.23Å; Y180-V245 HydrophobicContact CE1-CB 3.62Å; Y180-V245 HydrophobicContact CE1-CG1 3.56Å; Y180-V245 HydrophobicContact CE1-CG2 3.88Å; Y180-L246 HydrophobicContact CD1-CD2 4.31Å
181E96.1Very high93.8Very high18 Ų1840.3 Ų40.38%0.08423%0.226CC..EExtended strand (participates in β ladder)trans-91.2146.8-176.5-69.7-67.3176.400111.9F189 C218 G219 W220 D222 R226E181-F189 HydrophobicContact CB-CE2 3.43Å; E181-F189 VanDerWaalsContact CB-CE2 3.43Å; E181-F189 HydrophobicContact CB-CZ 3.48Å; E181-F189 VanDerWaalsContact CB-CZ 3.48Å; E181-F189 HydrophobicContact CG-CE2 4.31Å; E181-C218 WeakPolarHBondContact O-CA 3.17Å; E181-G219 PolarHBondContact N-O 3.07Å; E181-G219 PolarHBondContact O-N 3.19Å; E181-W220 WeakPolarHBondContact CB-O 3.33Å; E181-W220 VanDerWaalsContact CG-O 3.28Å; E181-W220 WeakPolarHBondContact CG-O 3.49Å; E181-D222 HydrophobicContact CG-CB 3.95Å; E181-R226 IonicContact OE1-CZ 2.77Å; E181-R226 VanDerWaalsContact OE1-CZ 3.31Å; E181-R226 IonicContact OE1-NE 2.7Å; E181-R226 PolarHBondContact OE1-NE 3.37Å; E181-R226 VanDerWaalsContact OE1-NE 3.17Å; E181-R226 IonicContact OE1-NH2 2.89Å; E181-R226 PolarHBondContact OE1-NH2 3.38Å; E181-R226 IonicContact OE2-NH2 3.6Å; E181-R226 PolarHBondContact OE2-NH2 3.3Å
182T95.6Very high93.9Very high24 Ų2438.1 Ų38.115%0.14721%0.205CC..EExtended strand (participates in β ladder)trans-142.4145.7171.862.10000112.1K178 Y180 E207 R217K178-T182 HydrophobicContact CD-CG2 4.09Å; K178-T182 VanDerWaalsContact NZ-CG2 3.33Å; K178-T182 PolarHBondContact NZ-OG1 3.33Å; Y180-T182 HydrophobicContact CD2-CG2 3.85Å; Y180-T182 HydrophobicContact CE2-CG2 3.53Å; T182-E207 HydrophobicContact CG2-CG 3.91Å; T182-R217 CarbonylContact C-O 3.6Å; T182-R217 WeakPolarHBondContact CA-O 3.43Å
183R92.3Very high93.9Very high18 Ų1833.8 Ų33.87%0.06819%0.186CC..EExtended strand (participates in β ladder)trans-138.8145.3178.4-169.8172.6174.7138.610.1111.7T145 D186 P188 F189 R216 R217T145-R183 PolarHBondContact OG1-NH1 2.92Å; R183-D186 PolarHBondContact NE-O 3.08Å; R183-D186 VanDerWaalsContact NE-O 3.08Å; R183-D186 PolarHBondContact NH2-O 3.25Å; R183-P188 PolarHBondContact NH1-O 3.12Å; R183-F189 HydrophobicContact CB-CD1 3.98Å; R183-F189 HydrophobicContact CB-CE1 4.06Å; R183-R216 WeakPolarHBondContact O-CA 3.33Å; R183-R217 HydrophobicContact CB-CB 4.42Å; R183-R217 PolarHBondContact N-O 3.38Å; R183-R217 PolarHBondContact O-N 3.12Å
184V88.8Confident93.8Very high79 Ų7938.4 Ų38.448%0.47921%0.211SC..  trans-112.2139.2167.8176.70000108.3R216V184-R216 HydrophobicContact CG2-CB 4.23Å; V184-R216 HydrophobicContact CG2-CG 3.59Å
185G85.1Confident93.8Very high17 Ų1738.6 Ų38.618%0.17521%0.213CC..SBendtrans83.5-171.2-177.700000112.8R217G185-R217 WeakPolarHBondContact O-CD 3.46Å; G185-R217 PolarHBondContact O-NH1 3.16Å; G185-R217 VanDerWaalsContact O-NH1 3.12Å
186D84.6Confident93.7Very high109 Ų10944.2 Ų44.258%0.58324%0.238SC*.SBendtrans-87.1-178.4-171.1-55.2-33.6000111.5Y148 R183 R214Y148-D186 HydrophobicContact CD1-CB 4.14Å; Y148-D186 HydrophobicContact CE1-CB 3.88Å; R183-D186 PolarHBondContact NE-O 3.08Å; R183-D186 VanDerWaalsContact NE-O 3.08Å; R183-D186 PolarHBondContact NH2-O 3.25Å; D186-R214 IonicContact OD1-NH2 3.68Å
187G87.7Confident93.7Very high14 Ų1441.1 Ų41.114%0.14422%0.223CC..SBendtrans104.5165.7178.800000113.7Y148 R217Y148-G187 VanDerWaalsContact CD2-CA 3.43Å; Y148-G187 VanDerWaalsContact CE2-CA 3.4Å; G187-R217 PolarHBondContact O-NH1 3.12Å; G187-R217 PolarHBondContact O-NH2 3.1Å
188P89.9Confident93.7Very high27 Ų2741 Ų4118%0.17522%0.222CC..  trans-61141.5-175.524.3-36.3000112.8R183 F273 A274R183-P188 PolarHBondContact NH1-O 3.12Å; P188-F273 HydrophobicContact CB-CB 4.48Å; P188-F273 HydrophobicContact CB-CD1 3.62Å; P188-F273 HydrophobicContact CB-CE1 4.37Å; P188-F273 HydrophobicContact CB-CG 4.46Å; P188-F273 HydrophobicContact CG-CB 4.28Å; P188-F273 HydrophobicContact CG-CD1 3.56Å; P188-F273 HydrophobicContact CG-CE1 4.43Å; P188-F273 HydrophobicContact CG-CG 4.4Å; P188-A274 HydrophobicContact CB-CB 3.97Å
189F93.1Very high93.7Very high27 Ų2744 Ų4412%0.11824%0.235CC..  trans-146.586.2178.4-170.9-175.8000108.9E181 R183 T191 E192 R217E181-F189 HydrophobicContact CB-CE2 3.43Å; E181-F189 VanDerWaalsContact CB-CE2 3.43Å; E181-F189 HydrophobicContact CB-CZ 3.48Å; E181-F189 VanDerWaalsContact CB-CZ 3.48Å; E181-F189 HydrophobicContact CG-CE2 4.31Å; R183-F189 HydrophobicContact CB-CD1 3.98Å; R183-F189 HydrophobicContact CB-CE1 4.06Å; F189-T191 VanDerWaalsContact C-N 3.26Å; F189-T191 WeakPolarHBondContact CE2-OG1 3.48Å; F189-T191 PolarHBondContact O-N 2.74Å; F189-E192 HydrophobicContact CB-CB 3.93Å; F189-E192 HydrophobicContact CD1-CB 3.67Å; F189-E192 HydrophobicContact CD1-CG 3.98Å; F189-E192 HydrophobicContact CD2-CB 4.38Å; F189-E192 HydrophobicContact CE1-CB 4.24Å; F189-E192 HydrophobicContact CE1-CG 4.42Å; F189-E192 HydrophobicContact CG-CB 3.75Å; F189-E192 WeakPolarHBondContact O-CB 3.24Å; F189-E192 PolarHBondContact O-N 3.5Å; F189-R217 HydrophobicContact CD1-CB 3.88Å; F189-R217 HydrophobicContact CE1-CB 3.89Å
190P92.2Very high93.7Very high28 Ų2846.6 Ų46.618%0.18225%0.251CS..THydrogen-bonded Turntrans-56.1-35.9-169.5-30.637.8000114.8Y258 F273 V276 V278P190-Y258 HydrophobicContact CB-CE1 3.95Å; P190-Y258 HydrophobicContact CG-CE1 4.31Å; P190-F273 HydrophobicContact CG-CD1 4.1Å; P190-F273 HydrophobicContact CG-CD2 4.29Å; P190-F273 HydrophobicContact CG-CE1 3.62Å; P190-F273 HydrophobicContact CG-CE2 3.84Å; P190-F273 HydrophobicContact CG-CG 4.43Å; P190-F273 HydrophobicContact CG-CZ 3.48Å; P190-F273 VanDerWaalsContact CG-CZ 3.48Å; P190-V276 HydrophobicContact CB-CG2 3.76Å; P190-V276 HydrophobicContact CG-CG2 3.63Å; P190-V278 HydrophobicContact CB-CG2 3.47Å; P190-V278 VanDerWaalsContact CB-CG2 3.47Å; P190-V278 WeakPolarHBondContact O-CG2 3.37Å
191T95.7Very high93.7Very high0 Ų046.6 Ų46.60%025%0.251CS..THydrogen-bonded Turntrans-93.712-179.460.30000114.5F189 L193 G219 W220 D222 V278 Y280F189-T191 VanDerWaalsContact C-N 3.26Å; F189-T191 WeakPolarHBondContact CE2-OG1 3.48Å; F189-T191 PolarHBondContact O-N 2.74Å; T191-L193 PolarHBondContact O-N 3.25Å; T191-G219 CarbonylContact O-C 3.58Å; T191-G219 WeakPolarHBondContact O-CA 3.29Å; T191-W220 VanDerWaalsContact CB-O 3.25Å; T191-W220 WeakPolarHBondContact CB-O 3.48Å; T191-W220 PolarHBondContact O-N 3.3Å; T191-W220 VanDerWaalsContact O-N 3.08Å; T191-W220 PolarHBondContact OG1-O 2.88Å; T191-D222 HydrophobicContact CG2-CB 3.83Å; T191-V278 HydrophobicContact CG2-CG1 4.13Å; T191-V278 HydrophobicContact CG2-CG2 4.35Å; T191-Y280 WeakPolarHBondContact CA-OH 3.46Å; T191-Y280 HydrophobicContact CG2-CE1 4.09Å
192E97Very high93.8Very high46 Ų4648.6 Ų48.622%0.21526%0.258CS..BIsolated β-bridgetrans-61.1136.2-177.6-176.7167.4-144.500112.8F189 R217F189-E192 HydrophobicContact CB-CB 3.93Å; F189-E192 HydrophobicContact CD1-CB 3.67Å; F189-E192 HydrophobicContact CD1-CG 3.98Å; F189-E192 HydrophobicContact CD2-CB 4.38Å; F189-E192 HydrophobicContact CE1-CB 4.24Å; F189-E192 HydrophobicContact CE1-CG 4.42Å; F189-E192 HydrophobicContact CG-CB 3.75Å; F189-E192 WeakPolarHBondContact O-CB 3.24Å; F189-E192 PolarHBondContact O-N 3.5Å; E192-R217 VanDerWaalsContact CD-NE 3.27Å; E192-R217 WeakPolarHBondContact OE1-CB 3.45Å; E192-R217 WeakPolarHBondContact OE1-CD 3.47Å; E192-R217 WeakPolarHBondContact OE1-CG 3.45Å; E192-R217 IonicContact OE1-CZ 2.96Å; E192-R217 IonicContact OE1-NE 3.72Å; E192-R217 PolarHBondContact OE1-NE 2.92Å; E192-R217 IonicContact OE1-NH2 3.01Å; E192-R217 IonicContact OE2-CZ 2.68Å; E192-R217 IonicContact OE2-NE 2.76Å; E192-R217 PolarHBondContact OE2-NE 3.34Å; E192-R217 IonicContact OE2-NH2 3.73Å; E192-R217 PolarHBondContact OE2-NH2 3.3Å
193L97.3Very high93.8Very high23 Ų2354.9 Ų54.912%0.1228%0.283CS..  trans-109.5111.1176.8-64.5169.6000109.8T191 D195 I197 L201 C218 W220T191-L193 PolarHBondContact O-N 3.25Å; L193-D195 VanDerWaalsContact C-N 3.34Å; L193-I197 HydrophobicContact CD1-CB 4.25Å; L193-I197 HydrophobicContact CD1-CG2 3.7Å; L193-L201 HydrophobicContact CD1-CD1 3.84Å; L193-C218 PolarHBondContact N-O 3.4Å; L193-W220 HydrophobicContact CD1-CD2 4.02Å; L193-W220 HydrophobicContact CD1-CG 4.09Å; L193-W220 HydrophobicContact CD1-CZ2 4.32Å
194N95.5Very high94Very high136 Ų13657.1 Ų57.173%0.72730%0.295SS*.  trans-95.912.8178.1-68-55.2000113
195D96.5Very high94.4Very high70 Ų7053.5 Ų53.537%0.37428%0.275SS..SBendtrans-109.4-167.5-175.963.411.8000112.4L193 I197 G198 K199L193-D195 VanDerWaalsContact C-N 3.34Å; D195-I197 VanDerWaalsContact C-N 3.28Å; D195-I197 PolarHBondContact O-N 3Å; D195-I197 WeakPolarHBondContact OD1-CB 3.15Å; D195-I197 PolarHBondContact OD1-N 3.48Å; D195-G198 PolarHBondContact O-N 3.01Å; D195-G198 PolarHBondContact OD1-N 3.3Å; D195-G198 VanDerWaalsContact OD1-N 3.1Å; D195-K199 WeakPolarHBondContact O-CG 3.41Å; D195-K199 PolarHBondContact O-N 2.8Å
196E96.3Very high94.9Very high121 Ų12159.8 Ų59.857%0.56530%0.299SS*.Hα-helixtrans-66.3-26.3178.5-65.3-52.6129.300113.4K199 T200E196-K199 PolarHBondContact O-N 3.39Å; E196-K199 IonicContact OE1-NZ 3.84Å; E196-K199 PolarHBondContact OE1-NZ 3.05Å; E196-T200 WeakPolarHBondContact O-CB 3.4Å; E196-T200 PolarHBondContact O-N 2.9Å; E196-T200 PolarHBondContact O-OG1 2.92Å
197I96.4Very high95.5Very high57 Ų5754.7 Ų54.729%0.29227%0.272SS..Hα-helixtrans-66.9-47.5176.3-58.4178.9000108.8L193 D195 K199 T200 L201 W220 F249L193-I197 HydrophobicContact CD1-CB 4.25Å; L193-I197 HydrophobicContact CD1-CG2 3.7Å; D195-I197 VanDerWaalsContact C-N 3.28Å; D195-I197 PolarHBondContact O-N 3Å; D195-I197 WeakPolarHBondContact OD1-CB 3.15Å; D195-I197 PolarHBondContact OD1-N 3.48Å; I197-K199 VanDerWaalsContact C-N 3.34Å; I197-K199 PolarHBondContact O-N 2.96Å; I197-T200 WeakPolarHBondContact O-CB 3.19Å; I197-T200 PolarHBondContact O-N 3.17Å; I197-T200 VanDerWaalsContact O-N 3.14Å; I197-L201 PolarHBondContact O-N 3.17Å; I197-W220 HydrophobicContact CD1-CZ2 4.41Å; I197-W220 HydrophobicContact CG2-CH2 3.82Å; I197-W220 HydrophobicContact CG2-CZ2 3.48Å; I197-W220 VanDerWaalsContact CG2-CZ2 3.48Å; I197-F249 HydrophobicContact CG2-CD1 4.03Å; I197-F249 HydrophobicContact CG2-CE1 3.63Å
198G97.1Very high95.8Very high1 Ų159.1 Ų59.11%0.0129%0.285CS..Hα-helixtrans-60.2-40175.500000113.3D195 R202D195-G198 PolarHBondContact O-N 3.01Å; D195-G198 PolarHBondContact OD1-N 3.3Å; D195-G198 VanDerWaalsContact OD1-N 3.1Å; G198-R202 PolarHBondContact O-N 3.07Å; G198-R202 VanDerWaalsContact O-N 3.1Å
199K96.9Very high95.7Very high110 Ų11058.5 Ų58.548%0.47828%0.283SS..Hα-helixtrans-65.1-39.3173.6-67.9174.8-169.7169.50112.1D195 E196 I197 R202 K203D195-K199 WeakPolarHBondContact O-CG 3.41Å; D195-K199 PolarHBondContact O-N 2.8Å; E196-K199 PolarHBondContact O-N 3.39Å; E196-K199 IonicContact OE1-NZ 3.84Å; E196-K199 PolarHBondContact OE1-NZ 3.05Å; I197-K199 VanDerWaalsContact C-N 3.34Å; I197-K199 PolarHBondContact O-N 2.96Å; K199-R202 PolarHBondContact O-N 3.16Å; K199-K203 WeakPolarHBondContact O-CB 3.28Å; K199-K203 PolarHBondContact O-N 3.11Å
200T96.7Very high95.2Very high54 Ų5464 Ų6433%0.33132%0.319SS..Hα-helixtrans-66-46.3178.5-59.70000111.2E196 I197 R202 K203 I204 F249E196-T200 WeakPolarHBondContact O-CB 3.4Å; E196-T200 PolarHBondContact O-N 2.9Å; E196-T200 PolarHBondContact O-OG1 2.92Å; I197-T200 WeakPolarHBondContact O-CB 3.19Å; I197-T200 PolarHBondContact O-N 3.17Å; I197-T200 VanDerWaalsContact O-N 3.14Å; T200-R202 VanDerWaalsContact C-N 3.3Å; T200-R202 PolarHBondContact O-N 3.41Å; T200-K203 PolarHBondContact O-N 3.34Å; T200-K203 VanDerWaalsContact O-N 3.15Å; T200-I204 HydrophobicContact CG2-CD1 3.62Å; T200-I204 HydrophobicContact CG2-CG1 4.25Å; T200-I204 WeakPolarHBondContact O-CG1 3.18Å; T200-I204 PolarHBondContact O-N 3.06Å; T200-F249 HydrophobicContact CG2-CE1 4.13Å; T200-F249 HydrophobicContact CG2-CE2 4.27Å; T200-F249 HydrophobicContact CG2-CZ 3.67Å
201L97.4Very high94.5Very high0 Ų069.1 Ų69.10%035%0.35CS..Hα-helixtrans-55.5-46.2173.5-76.5172.8000111.2Y180 L193 I197 K203 G205 C218 V245 L246 F249Y180-L201 HydrophobicContact CD1-CD2 4.21Å; Y180-L201 HydrophobicContact CD2-CD1 4.47Å; Y180-L201 HydrophobicContact CD2-CD2 4.24Å; Y180-L201 HydrophobicContact CG-CD2 3.98Å; L193-L201 HydrophobicContact CD1-CD1 3.84Å; I197-L201 PolarHBondContact O-N 3.17Å; L201-K203 PolarHBondContact O-N 3.02Å; L201-G205 WeakPolarHBondContact O-CA 3.4Å; L201-G205 PolarHBondContact O-N 3.41Å; L201-C218 HydrophobicContact CB-CB 4.05Å; L201-C218 HydrophobicContact CD1-CB 4.46Å; L201-V245 HydrophobicContact CD2-CG1 4.08Å; L201-L246 HydrophobicContact CD2-CD2 3.8Å; L201-F249 HydrophobicContact CB-CZ 4.33Å; L201-F249 HydrophobicContact CD2-CE1 4.06Å; L201-F249 HydrophobicContact CD2-CE2 3.77Å; L201-F249 HydrophobicContact CD2-CZ 3.4Å; L201-F249 HydrophobicContact CG-CE1 3.94Å; L201-F249 HydrophobicContact CG-CE2 4.39Å; L201-F249 HydrophobicContact CG-CZ 3.54Å
202R97.1Very high93.9Very high60 Ų6074.3 Ų74.323%0.22638%0.382CS..Hα-helixtrans-60.3-45.1177.9-177.1-174.1-64.9148.34.3112G198 K199 T200 H206 E207 Y208 R216G198-R202 PolarHBondContact O-N 3.07Å; G198-R202 VanDerWaalsContact O-N 3.1Å; K199-R202 PolarHBondContact O-N 3.16Å; T200-R202 VanDerWaalsContact C-N 3.3Å; T200-R202 PolarHBondContact O-N 3.41Å; R202-H206 PolarHBondContact O-N 3.07Å; R202-H206 VanDerWaalsContact O-N 3.16Å; R202-E207 HydrophobicContact CB-CB 4.45Å; R202-E207 HydrophobicContact CG-CB 4.05Å; R202-E207 PolarHBondContact O-N 3.05Å; R202-Y208 HydrophobicContact CG-CE1 4.46Å; R202-Y208 HydrophobicContact CG-CE2 3.85Å; R202-R216 VanDerWaalsContact CZ-O 3.31Å; R202-R216 PolarHBondContact NE-O 3.05Å; R202-R216 PolarHBondContact NH2-O 3.02Å
203K96.9Very high93.5Very high156 Ų15674.4 Ų74.468%0.67840%0.395SS*.Hα-helixtrans-66-54.7-177.2-177.5-177.5176.1-174.80111.3K199 T200 L201 H206K199-K203 WeakPolarHBondContact O-CB 3.28Å; K199-K203 PolarHBondContact O-N 3.11Å; T200-K203 PolarHBondContact O-N 3.34Å; T200-K203 VanDerWaalsContact O-N 3.15Å; L201-K203 PolarHBondContact O-N 3.02Å; K203-H206 PolarHBondContact O-N 3.27Å
204I96.2Very high93.1Very high64 Ų6479.1 Ų79.133%0.32841%0.411SS..Hα-helixtrans-65.2-45-177.9-60.8174.7000110.2T200 H206 V245 F249T200-I204 HydrophobicContact CG2-CD1 3.62Å; T200-I204 HydrophobicContact CG2-CG1 4.25Å; T200-I204 WeakPolarHBondContact O-CG1 3.18Å; T200-I204 PolarHBondContact O-N 3.06Å; I204-H206 PolarHBondContact O-CD2 3.12Å; I204-H206 PolarHBondContact O-N 2.77Å; I204-V245 HydrophobicContact CB-CG1 4.1Å; I204-V245 HydrophobicContact CG2-CB 4.26Å; I204-V245 HydrophobicContact CG2-CG1 3.91Å; I204-V245 HydrophobicContact CG2-CG2 4.32Å; I204-F249 HydrophobicContact CD1-CE2 4.08Å
205G96.5Very high93Very high4 Ų475.6 Ų75.64%0.04140%0.395CS..THydrogen-bonded Turntrans-76.1-0.5-179.400000115.5Y180 L201 E207 K242Y180-G205 WeakPolarHBondContact OH-CA 3.01Å; L201-G205 WeakPolarHBondContact O-CA 3.4Å; L201-G205 PolarHBondContact O-N 3.41Å; G205-E207 VanDerWaalsContact C-N 3.29Å; G205-E207 PolarHBondContact O-N 3.29Å; G205-K242 PolarHBondContact O-NZ 2.83Å
206H96.5Very high93Very high149 Ų14974.9 Ų74.969%0.6939%0.387SS*.THydrogen-bonded Turntrans48.448.7-172.9-65.2-84.9000112.9R202 K203 I204 Y208R202-H206 PolarHBondContact O-N 3.07Å; R202-H206 VanDerWaalsContact O-N 3.16Å; K203-H206 PolarHBondContact O-N 3.27Å; I204-H206 PolarHBondContact O-CD2 3.12Å; I204-H206 PolarHBondContact O-N 2.77Å; H206-Y208 VanDerWaalsContact C-N 3.28Å; H206-Y208 PolarHBondContact O-N 3.15Å
207E96.8Very high93Very high1 Ų171.3 Ų71.31%0.00537%0.369CS..  trans-83.370-171.7-60.8-65176.500113K178 Y180 T182 R202 G205 R216 K242K178-E207 VanDerWaalsContact NZ-CD 3.27Å; K178-E207 IonicContact NZ-OE1 2.74Å; K178-E207 PolarHBondContact NZ-OE1 2.98Å; K178-E207 IonicContact NZ-OE2 3.12Å; K178-E207 PolarHBondContact NZ-OE2 3.21Å; Y180-E207 HydrophobicContact CE2-CG 4.04Å; Y180-E207 PolarHBondContact OH-OE1 3.23Å; T182-E207 HydrophobicContact CG2-CG 3.91Å; R202-E207 HydrophobicContact CB-CB 4.45Å; R202-E207 HydrophobicContact CG-CB 4.05Å; R202-E207 PolarHBondContact O-N 3.05Å; G205-E207 VanDerWaalsContact C-N 3.29Å; G205-E207 PolarHBondContact O-N 3.29Å; E207-R216 HydrophobicContact CB-CB 4.02Å; E207-R216 HydrophobicContact CB-CG 4.19Å; E207-R216 WeakPolarHBondContact O-CG 3.38Å; E207-R216 PolarHBondContact O-N 3.32Å; E207-R216 WeakPolarHBondContact OE2-CD 3.46Å; E207-R216 IonicContact OE2-CZ 3.24Å; E207-R216 IonicContact OE2-NE 3.3Å; E207-R216 IonicContact OE2-NH1 3.95Å; E207-R216 PolarHBondContact OE2-NH1 2.92Å; E207-K242 IonicContact OE1-NZ 2.88Å; E207-K242 PolarHBondContact OE1-NZ 3.25Å; E207-K242 IonicContact OE2-NZ 2.87Å
208Y94.1Very high93.1Very high107 Ų10768.7 Ų68.742%0.4236%0.355SS..BIsolated β-bridgetrans-129.3146.5176.8-59.6-94.3000110.8R202 H206 V210 P215 R216R202-Y208 HydrophobicContact CG-CE1 4.46Å; R202-Y208 HydrophobicContact CG-CE2 3.85Å; H206-Y208 VanDerWaalsContact C-N 3.28Å; H206-Y208 PolarHBondContact O-N 3.15Å; Y208-V210 PolarHBondContact O-N 3.22Å; Y208-P215 HydrophobicContact CD1-CB 4.03Å; Y208-P215 HydrophobicContact CE1-CB 3.88Å; Y208-R216 VanDerWaalsContact O-CZ 3.27Å; Y208-R216 PolarHBondContact O-NH1 3.29Å; Y208-R216 PolarHBondContact O-NH2 3.15Å
209G87.5Confident93.1Very high14 Ų1468.6 Ų68.614%0.14436%0.355CS..  trans-63.6126.3175.100000111.3T211 G213 R214G209-T211 VanDerWaalsContact C-N 3.28Å; G209-T211 PolarHBondContact O-N 3.44Å; G209-G213 VanDerWaalsContact O-CA 3.24Å; G209-G213 WeakPolarHBondContact O-CA 3.43Å; G209-G213 PolarHBondContact O-N 3.05Å; G209-R214 PolarHBondContact N-O 3.2Å
210V82.8Confident93.2Very high144 Ų14463.7 Ų63.787%0.87333%0.333SS*.THydrogen-bonded Turntrans-64.7-30.7-176.4-63.90000113.5Y208Y208-V210 PolarHBondContact O-N 3.22Å
211T76.9Confident93.2Very high135 Ų13561.1 Ų61.183%0.82832%0.317SS*.THydrogen-bonded Turntrans-94.5-39.3-179-480000112.3G209G209-T211 VanDerWaalsContact C-N 3.28Å; G209-T211 PolarHBondContact O-N 3.44Å
212T84.1Confident93.1Very high109 Ų10961.2 Ų61.267%0.66932%0.318SS*.THydrogen-bonded Turntrans-102-15.3-170.859.10000113.8R214T212-R214 PolarHBondContact O-N 3.36Å; T212-R214 VanDerWaalsContact O-N 3.12Å; T212-R214 PolarHBondContact OG1-N 2.93Å
213G87.8Confident93Very high47 Ų4758.3 Ų58.349%0.48531%0.307SS..  trans68.3-0.6-170.700000114.7G209G209-G213 VanDerWaalsContact O-CA 3.24Å; G209-G213 WeakPolarHBondContact O-CA 3.43Å; G209-G213 PolarHBondContact O-N 3.05Å
214R88.9Confident92.8Very high123 Ų12351.8 Ų51.846%0.46428%0.279SS..PPolyproline II helixtrans-61.3129.5-175.7-172.4176.4177.6176.7-0.1110.3D186 G209 T212D186-R214 IonicContact OD1-NH2 3.68Å; G209-R214 PolarHBondContact N-O 3.2Å; T212-R214 PolarHBondContact O-N 3.36Å; T212-R214 VanDerWaalsContact O-N 3.12Å; T212-R214 PolarHBondContact OG1-N 2.93Å
215P93.7Very high92.5Very high62 Ų6249.8 Ų49.840%0.40327%0.269SS..BIsolated β-bridgetrans-64.7138.4176.126.4-34.1000110.6Y208Y208-P215 HydrophobicContact CD1-CB 4.03Å; Y208-P215 HydrophobicContact CE1-CB 3.88Å
216R96.3Very high92.4Very high54 Ų5451.2 Ų51.220%0.20427%0.273CS..PPolyproline II helixtrans-81.7142.9170.6-48.8-165.4175.185.512.4110.1R183 V184 R202 E207 Y208R183-R216 WeakPolarHBondContact O-CA 3.33Å; V184-R216 HydrophobicContact CG2-CB 4.23Å; V184-R216 HydrophobicContact CG2-CG 3.59Å; R202-R216 VanDerWaalsContact CZ-O 3.31Å; R202-R216 PolarHBondContact NE-O 3.05Å; R202-R216 PolarHBondContact NH2-O 3.02Å; E207-R216 HydrophobicContact CB-CB 4.02Å; E207-R216 HydrophobicContact CB-CG 4.19Å; E207-R216 WeakPolarHBondContact O-CG 3.38Å; E207-R216 PolarHBondContact O-N 3.32Å; E207-R216 WeakPolarHBondContact OE2-CD 3.46Å; E207-R216 IonicContact OE2-CZ 3.24Å; E207-R216 IonicContact OE2-NE 3.3Å; E207-R216 IonicContact OE2-NH1 3.95Å; E207-R216 PolarHBondContact OE2-NH1 2.92Å; Y208-R216 VanDerWaalsContact O-CZ 3.27Å; Y208-R216 PolarHBondContact O-NH1 3.29Å; Y208-R216 PolarHBondContact O-NH2 3.15Å
217R96.4Very high92.3Very high47 Ų4748.1 Ų48.118%0.17726%0.258CS..EExtended strand (participates in β ladder)trans-65.9138.2164.9-64.9164.964.9-164.32.2107.7T182 R183 G185 G187 F189 E192T182-R217 CarbonylContact C-O 3.6Å; T182-R217 WeakPolarHBondContact CA-O 3.43Å; R183-R217 HydrophobicContact CB-CB 4.42Å; R183-R217 PolarHBondContact N-O 3.38Å; R183-R217 PolarHBondContact O-N 3.12Å; G185-R217 WeakPolarHBondContact O-CD 3.46Å; G185-R217 PolarHBondContact O-NH1 3.16Å; G185-R217 VanDerWaalsContact O-NH1 3.12Å; G187-R217 PolarHBondContact O-NH1 3.12Å; G187-R217 PolarHBondContact O-NH2 3.1Å; F189-R217 HydrophobicContact CD1-CB 3.88Å; F189-R217 HydrophobicContact CE1-CB 3.89Å; E192-R217 VanDerWaalsContact CD-NE 3.27Å; E192-R217 WeakPolarHBondContact OE1-CB 3.45Å; E192-R217 WeakPolarHBondContact OE1-CD 3.47Å; E192-R217 WeakPolarHBondContact OE1-CG 3.45Å; E192-R217 IonicContact OE1-CZ 2.96Å; E192-R217 IonicContact OE1-NE 3.72Å; E192-R217 PolarHBondContact OE1-NE 2.92Å; E192-R217 IonicContact OE1-NH2 3.01Å; E192-R217 IonicContact OE2-CZ 2.68Å; E192-R217 IonicContact OE2-NE 2.76Å; E192-R217 PolarHBondContact OE2-NE 3.34Å; E192-R217 IonicContact OE2-NH2 3.73Å; E192-R217 PolarHBondContact OE2-NH2 3.3Å
218C97.9Very high92Very high1 Ų153.6 Ų53.61%0.00728%0.279CS..EExtended strand (participates in β ladder)trans-126.3146.9-176-64.60000109.5E181 L193 L201E181-C218 WeakPolarHBondContact O-CA 3.17Å; L193-C218 PolarHBondContact N-O 3.4Å; L201-C218 HydrophobicContact CB-CB 4.05Å; L201-C218 HydrophobicContact CD1-CB 4.46Å
219G97.8Very high92Very high0 Ų048.7 Ų48.70%026%0.26CS..EExtended strand (participates in β ladder)trans-157.7170.3-176.900000112.1Y180 E181 T191Y180-G219 WeakPolarHBondContact CB-O 3.35Å; E181-G219 PolarHBondContact N-O 3.07Å; E181-G219 PolarHBondContact O-N 3.19Å; T191-G219 CarbonylContact O-C 3.58Å; T191-G219 WeakPolarHBondContact O-CA 3.29Å
220W98Very high92.3Very high6 Ų649.5 Ų49.52%0.02326%0.262CS..  trans-66.5161173.6-69.4124.3000112E181 T191 L193 I197 D222 L246 F249 E251 I252 K253 Y280E181-W220 WeakPolarHBondContact CB-O 3.33Å; E181-W220 VanDerWaalsContact CG-O 3.28Å; E181-W220 WeakPolarHBondContact CG-O 3.49Å; T191-W220 VanDerWaalsContact CB-O 3.25Å; T191-W220 WeakPolarHBondContact CB-O 3.48Å; T191-W220 PolarHBondContact O-N 3.3Å; T191-W220 VanDerWaalsContact O-N 3.08Å; T191-W220 PolarHBondContact OG1-O 2.88Å; L193-W220 HydrophobicContact CD1-CD2 4.02Å; L193-W220 HydrophobicContact CD1-CG 4.09Å; L193-W220 HydrophobicContact CD1-CZ2 4.32Å; I197-W220 HydrophobicContact CD1-CZ2 4.41Å; I197-W220 HydrophobicContact CG2-CH2 3.82Å; I197-W220 HydrophobicContact CG2-CZ2 3.48Å; I197-W220 VanDerWaalsContact CG2-CZ2 3.48Å; W220-D222 PolarHBondContact O-N 2.94Å; W220-L246 HydrophobicContact CZ3-CD2 4.39Å; W220-F249 AromaticContact CH2-CD1 3.96Å; W220-F249 HydrophobicContact CH2-CD1 3.96Å; W220-F249 HydrophobicContact CH2-CE1 4.45Å; W220-E251 VanDerWaalsContact CH2-O 3.27Å; W220-E251 WeakPolarHBondContact CH2-O 3.41Å; W220-I252 HydrophobicContact CZ3-CG2 4.33Å; W220-K253 WeakPolarHBondContact CB-O 2.87Å; W220-K253 HydrophobicContact CD2-CB 3.92Å; W220-K253 HydrophobicContact CG-CB 3.85Å; W220-Y280 HydrophobicContact CB-CD1 4.5Å; W220-Y280 HydrophobicContact CB-CE1 3.91Å; W220-Y280 AromaticContact CD1-CE1 3.84Å; W220-Y280 HydrophobicContact CG-CE1 4.22Å
221L97.4Very high92.8Very high0 Ų046.9 Ų46.90%026%0.255CS..EExtended strand (participates in β ladder)trans-60.3132.5176.4-179.363000110.5V177 K178 I223 R226 I254 G255 I310V177-L221 HydrophobicContact CG1-CD1 3.94Å; K178-L221 WeakPolarHBondContact O-CD1 3.48Å; L221-I223 HydrophobicContact CD2-CD1 3.98Å; L221-I223 HydrophobicContact CG-CD1 4.24Å; L221-R226 HydrophobicContact CD1-CG 4.27Å; L221-I254 HydrophobicContact CB-CG2 4.07Å; L221-I254 HydrophobicContact CD2-CG2 4.34Å; L221-G255 PolarHBondContact O-N 2.96Å; L221-I310 HydrophobicContact CD2-CD1 3.36Å; L221-I310 HydrophobicContact CD2-CG1 3.62Å
222D95.3Very high93.6Very high2 Ų243.3 Ų43.31%0.01123%0.233CC..EExtended strand (participates in β ladder)trans-108.3102.6-178.5-169.3-41.4000111.1E181 T191 W220 M224 L225 R226 Y258E181-D222 HydrophobicContact CG-CB 3.95Å; T191-D222 HydrophobicContact CG2-CB 3.83Å; W220-D222 PolarHBondContact O-N 2.94Å; D222-M224 PolarHBondContact OD1-N 3.27Å; D222-M224 VanDerWaalsContact OD1-N 3.08Å; D222-L225 HydrophobicContact CB-CB 4.11Å; D222-L225 PolarHBondContact O-N 2.87Å; D222-L225 PolarHBondContact OD1-N 3Å; D222-R226 WeakPolarHBondContact O-CG 3.36Å; D222-R226 PolarHBondContact O-N 2.81Å; D222-R226 VanDerWaalsContact O-N 3.13Å; D222-Y258 PolarHBondContact OD1-OH 3.5Å; D222-Y258 PolarHBondContact OD2-OH 3.38Å
223I95.2Very high94.1Very high0 Ų038.7 Ų38.70%020%0.204CC..Hα-helixtrans-70.4-33.2-176.4-62.9-61.2000111.8L221 L225 R226 K227 I254 G255 L313 V314L221-I223 HydrophobicContact CD2-CD1 3.98Å; L221-I223 HydrophobicContact CG-CD1 4.24Å; I223-L225 VanDerWaalsContact C-N 3.32Å; I223-L225 PolarHBondContact O-N 3.49Å; I223-R226 PolarHBondContact O-N 2.73Å; I223-R226 VanDerWaalsContact O-N 3.16Å; I223-K227 HydrophobicContact CG2-CD 4.21Å; I223-K227 HydrophobicContact CG2-CG 4.3Å; I223-K227 WeakPolarHBondContact O-CG 3.11Å; I223-K227 PolarHBondContact O-N 2.85Å; I223-I254 HydrophobicContact CG1-CB 4.48Å; I223-I254 HydrophobicContact CG1-CD1 4.44Å; I223-G255 VanDerWaalsContact CB-O 3.23Å; I223-G255 WeakPolarHBondContact CB-O 3.49Å; I223-G255 WeakPolarHBondContact CG1-O 3.41Å; I223-G255 PolarHBondContact N-O 2.96Å; I223-L313 HydrophobicContact CD1-CB 4.31Å; I223-L313 HydrophobicContact CD1-CD1 4.21Å; I223-L313 HydrophobicContact CG1-CB 4.49Å; I223-L313 HydrophobicContact CG1-CD1 3.98Å; I223-L313 HydrophobicContact CG2-CB 3.73Å; I223-L313 HydrophobicContact CG2-CD1 4.4Å; I223-V314 HydrophobicContact CD1-CG2 4.34Å
224M92.1Very high94.5Very high19 Ų1938.5 Ų38.59%0.09420%0.202CC..Hα-helixtrans-64.6-42.1178.7-66.1-55.8-66.900110.4D222 R226 K227 Y228 Y258 Q266D222-M224 PolarHBondContact OD1-N 3.27Å; D222-M224 VanDerWaalsContact OD1-N 3.08Å; M224-R226 VanDerWaalsContact C-N 3.34Å; M224-R226 PolarHBondContact O-N 2.78Å; M224-K227 PolarHBondContact O-N 2.79Å; M224-K227 HydrophobicContact SD-CD 4.36Å; M224-Y228 PolarHBondContact O-N 2.99Å; M224-Y258 HydrophobicContact CB-CD1 4.48Å; M224-Y258 HydrophobicContact CB-CD2 3.94Å; M224-Y258 HydrophobicContact CB-CE1 4.07Å; M224-Y258 HydrophobicContact CB-CE2 3.48Å; M224-Y258 VanDerWaalsContact CB-CE2 3.48Å; M224-Y258 HydrophobicContact CB-CG 4.42Å; M224-Y258 HydrophobicContact CG-CD1 4.14Å; M224-Y258 HydrophobicContact CG-CD2 4.02Å; M224-Y258 HydrophobicContact CG-CE1 4.16Å; M224-Y258 HydrophobicContact CG-CE2 4.04Å; M224-Y258 HydrophobicContact CG-CG 4.07Å; M224-Q266 WeakPolarHBondContact CE-O 3.05Å
225L91.3Very high95Very high22 Ų2234.2 Ų34.212%0.11519%0.187CC..Hα-helixtrans-65.2-36.7173.3-173.159.9000112.2D222 I223 Y228 S229D222-L225 HydrophobicContact CB-CB 4.11Å; D222-L225 PolarHBondContact O-N 2.87Å; D222-L225 PolarHBondContact OD1-N 3Å; I223-L225 VanDerWaalsContact C-N 3.32Å; I223-L225 PolarHBondContact O-N 3.49Å; L225-Y228 HydrophobicContact CD1-CD1 4.48Å; L225-S229 WeakPolarHBondContact O-CB 3.5Å; L225-S229 PolarHBondContact O-N 2.74Å
226R94.2Very high95.2Very high34 Ų3433.7 Ų33.713%0.12818%0.183CC..Hα-helixtrans-65.8-43.8174.7-66.6-46.599.4-173.310112.5V177 E181 L221 D222 I223 M224 S229 N230 V314V177-R226 HydrophobicContact CG1-CG 4.4Å; E181-R226 IonicContact OE1-CZ 2.77Å; E181-R226 VanDerWaalsContact OE1-CZ 3.31Å; E181-R226 IonicContact OE1-NE 2.7Å; E181-R226 PolarHBondContact OE1-NE 3.37Å; E181-R226 VanDerWaalsContact OE1-NE 3.17Å; E181-R226 IonicContact OE1-NH2 2.89Å; E181-R226 PolarHBondContact OE1-NH2 3.38Å; E181-R226 IonicContact OE2-NH2 3.6Å; E181-R226 PolarHBondContact OE2-NH2 3.3Å; L221-R226 HydrophobicContact CD1-CG 4.27Å; D222-R226 WeakPolarHBondContact O-CG 3.36Å; D222-R226 PolarHBondContact O-N 2.81Å; D222-R226 VanDerWaalsContact O-N 3.13Å; I223-R226 PolarHBondContact O-N 2.73Å; I223-R226 VanDerWaalsContact O-N 3.16Å; M224-R226 VanDerWaalsContact C-N 3.34Å; M224-R226 PolarHBondContact O-N 2.78Å; R226-S229 PolarHBondContact O-N 3.28Å; R226-N230 WeakPolarHBondContact O-CB 2.98Å; R226-N230 PolarHBondContact O-N 3.19Å; R226-V314 HydrophobicContact CB-CG1 4.4Å; R226-V314 HydrophobicContact CB-CG2 3.69Å; R226-V314 HydrophobicContact CG-CG2 4.38Å
227K93.5Very high95.2Very high84 Ų8434 Ų3437%0.36519%0.185SC..Hα-helixtrans-59.5-47.3174.8-75.7176.4175.2175.90111.2I223 M224 S229 N230 A231 L313I223-K227 HydrophobicContact CG2-CD 4.21Å; I223-K227 HydrophobicContact CG2-CG 4.3Å; I223-K227 WeakPolarHBondContact O-CG 3.11Å; I223-K227 PolarHBondContact O-N 2.85Å; M224-K227 PolarHBondContact O-N 2.79Å; M224-K227 HydrophobicContact SD-CD 4.36Å; K227-S229 PolarHBondContact O-N 2.95Å; K227-N230 PolarHBondContact O-N 2.82Å; K227-A231 PolarHBondContact O-N 3.45Å; K227-L313 WeakPolarHBondContact CE-O 3.29Å
228Y91.6Very high95.3Very high115 Ų11531.9 Ų31.945%0.45118%0.178SC..Hα-helixtrans-58.5-49174.4174.2-99.1000111.7T143 M224 L225 N230 A231 V232T143-Y228 HydrophobicContact CG2-CD1 3.84Å; T143-Y228 HydrophobicContact CG2-CE1 3.55Å; M224-Y228 PolarHBondContact O-N 2.99Å; L225-Y228 HydrophobicContact CD1-CD1 4.48Å; Y228-N230 VanDerWaalsContact C-N 3.26Å; Y228-N230 PolarHBondContact O-N 2.97Å; Y228-A231 PolarHBondContact O-N 3.27Å; Y228-A231 VanDerWaalsContact O-N 3.16Å; Y228-V232 HydrophobicContact CE1-CG2 4.08Å; Y228-V232 HydrophobicContact CE2-CG2 4.08Å; Y228-V232 WeakPolarHBondContact O-CG2 3.45Å; Y228-V232 PolarHBondContact O-N 3.41Å; Y228-V232 VanDerWaalsContact O-N 3.08Å
229S93Very high95.3Very high4 Ų432.4 Ų32.43%0.02818%0.182CC..Hα-helixtrans-61.3-36.1178.6-169.20000112T143 L225 R226 K227 N233T143-S229 PolarHBondContact OG1-OG 2.87Å; T143-S229 VanDerWaalsContact OG1-OG 3.07Å; L225-S229 WeakPolarHBondContact O-CB 3.5Å; L225-S229 PolarHBondContact O-N 2.74Å; R226-S229 PolarHBondContact O-N 3.28Å; K227-S229 PolarHBondContact O-N 2.95Å; S229-N233 VanDerWaalsContact O-CB 3.32Å; S229-N233 WeakPolarHBondContact O-CB 3.48Å; S229-N233 PolarHBondContact O-N 3.22Å; S229-N233 PolarHBondContact O-ND2 3.49Å; S229-N233 PolarHBondContact OG-ND2 2.83Å
230N95.1Very high95.2Very high32 Ų3233.3 Ų33.317%0.17119%0.186CC..Hα-helixtrans-68.4-43.1174.6-173.937.7000111.8R226 K227 Y228 V232 N233 G234 F235 V314 V316R226-N230 WeakPolarHBondContact O-CB 2.98Å; R226-N230 PolarHBondContact O-N 3.19Å; K227-N230 PolarHBondContact O-N 2.82Å; Y228-N230 VanDerWaalsContact C-N 3.26Å; Y228-N230 PolarHBondContact O-N 2.97Å; N230-V232 PolarHBondContact O-N 3.24Å; N230-N233 PolarHBondContact O-N 3.18Å; N230-G234 WeakPolarHBondContact O-CA 3.33Å; N230-G234 PolarHBondContact O-N 2.94Å; N230-F235 HydrophobicContact CB-CD2 3.9Å; N230-F235 HydrophobicContact CB-CE2 4.44Å; N230-F235 WeakPolarHBondContact OD1-CB 3.34Å; N230-F235 PolarHBondContact OD1-N 2.69Å; N230-V314 HydrophobicContact CB-CG1 4.28Å; N230-V314 PolarHBondContact ND2-O 3.4Å; N230-V316 WeakPolarHBondContact ND2-CG2 3.25Å; N230-V316 WeakPolarHBondContact OD1-CG2 3.28Å
231A93.1Very high95.1Very high88 Ų8834.8 Ų34.873%0.72720%0.2SC*.Hα-helixtrans-58.6-36.217700000112.3K227 Y228K227-A231 PolarHBondContact O-N 3.45Å; Y228-A231 PolarHBondContact O-N 3.27Å; Y228-A231 VanDerWaalsContact O-N 3.16Å
232V93Very high95.1Very high61 Ų6138.2 Ų38.237%0.3722%0.215SC..Hα-helixtrans-77.6-38177.81760000112.6Y228 N230Y228-V232 HydrophobicContact CE1-CG2 4.08Å; Y228-V232 HydrophobicContact CE2-CG2 4.08Å; Y228-V232 WeakPolarHBondContact O-CG2 3.45Å; Y228-V232 PolarHBondContact O-N 3.41Å; Y228-V232 VanDerWaalsContact O-N 3.08Å; N230-V232 PolarHBondContact O-N 3.24Å
233N95.5Very high94.9Very high11 Ų1139.1 Ų39.16%0.05922%0.219CC..Hα-helixtrans-102-21.4-169.8-70.6-72.3000115S155 V156 I173 S229 N230 F235S155-N233 WeakPolarHBondContact CA-OD1 3.27Å; S155-N233 VanDerWaalsContact CB-OD1 3.26Å; S155-N233 WeakPolarHBondContact CB-OD1 3.23Å; V156-N233 PolarHBondContact N-OD1 3.2Å; I173-N233 WeakPolarHBondContact CD1-O 3.41Å; S229-N233 VanDerWaalsContact O-CB 3.32Å; S229-N233 WeakPolarHBondContact O-CB 3.48Å; S229-N233 PolarHBondContact O-N 3.22Å; S229-N233 PolarHBondContact O-ND2 3.49Å; S229-N233 PolarHBondContact OG-ND2 2.83Å; N230-N233 PolarHBondContact O-N 3.18Å; N233-F235 HydrophobicContact CB-CD1 3.9Å; N233-F235 HydrophobicContact CB-CE1 3.47Å; N233-F235 VanDerWaalsContact CB-CE1 3.47Å; N233-F235 HydrophobicContact CB-CE2 4.25Å; N233-F235 HydrophobicContact CB-CG 4.44Å; N233-F235 HydrophobicContact CB-CZ 3.67Å
234G96.2Very high94.9Very high43 Ų4342.7 Ų42.744%0.44324%0.238SC..  trans59.657-17400000112.5N230 T236N230-G234 WeakPolarHBondContact O-CA 3.33Å; N230-G234 PolarHBondContact O-N 2.94Å; G234-T236 PolarHBondContact O-N 3.29Å
235F97.6Very high95.1Very high33 Ų3342 Ų4215%0.14524%0.235CC..  trans-61.8129.6-177.4-61.5-53.5000111I173 G175 N230 N233 L238 V316I173-F235 HydrophobicContact CG2-CD1 3.75Å; I173-F235 HydrophobicContact CG2-CE1 4.18Å; G175-F235 VanDerWaalsContact CA-CD1 3.48Å; G175-F235 VanDerWaalsContact CA-CE1 3.48Å; N230-F235 HydrophobicContact CB-CD2 3.9Å; N230-F235 HydrophobicContact CB-CE2 4.44Å; N230-F235 WeakPolarHBondContact OD1-CB 3.34Å; N230-F235 PolarHBondContact OD1-N 2.69Å; N233-F235 HydrophobicContact CB-CD1 3.9Å; N233-F235 HydrophobicContact CB-CE1 3.47Å; N233-F235 VanDerWaalsContact CB-CE1 3.47Å; N233-F235 HydrophobicContact CB-CE2 4.25Å; N233-F235 HydrophobicContact CB-CG 4.44Å; N233-F235 HydrophobicContact CB-CZ 3.67Å; F235-L238 HydrophobicContact CB-CD2 4.26Å; F235-L238 HydrophobicContact CD2-CD2 4.18Å; F235-L238 HydrophobicContact CG-CD2 4.38Å; F235-V316 HydrophobicContact CB-CG1 4.02Å; F235-V316 HydrophobicContact CB-CG2 4.29Å; F235-V316 WeakPolarHBondContact O-CG1 3.43Å
236T97.9Very high95.4Very high52 Ų5240.9 Ų40.932%0.31923%0.229SC..SBendtrans-84.5-29174.2590000112I173 G234I173-T236 PolarHBondContact N-OG1 3.1Å; I173-T236 PolarHBondContact O-N 2.85Å; I173-T236 PolarHBondContact O-OG1 3.41Å; G234-T236 PolarHBondContact O-N 3.29Å
237K98Very high95.5Very high60 Ų6039.8 Ų39.826%0.26123%0.226SC..EExtended strand (participates in β ladder)trans-150.9153.5-178-62.1177.8180170.10109.8I173 I174 G175 P317 K319I173-K237 PolarHBondContact O-N 3.02Å; I174-K237 CarbonylContact C-O 3.56Å; I174-K237 WeakPolarHBondContact CA-O 3.31Å; G175-K237 PolarHBondContact N-O 3.1Å; K237-P317 CarbonylContact C-O 3.46Å; K237-P317 VanDerWaalsContact CA-O 3.23Å; K237-P317 WeakPolarHBondContact CA-O 3.36Å; K237-K319 HydrophobicContact CB-CB 4.11Å; K237-K319 HydrophobicContact CD-CB 3.82Å; K237-K319 HydrophobicContact CD-CG 3.96Å; K237-K319 HydrophobicContact CG-CB 4.29Å
238L97.7Very high95.2Very high3 Ų340.4 Ų40.42%0.01624%0.237CC..EExtended strand (participates in β ladder)trans-104.7153168.2-56.1-179.3000111.3G175 V177 F235 I310 V314 V316 P317 K319 Y320G175-L238 CarbonylContact O-C 3.53Å; G175-L238 WeakPolarHBondContact O-CA 3.23Å; V177-L238 HydrophobicContact CG2-CD2 4.12Å; F235-L238 HydrophobicContact CB-CD2 4.26Å; F235-L238 HydrophobicContact CD2-CD2 4.18Å; F235-L238 HydrophobicContact CG-CD2 4.38Å; L238-I310 HydrophobicContact CD1-CG2 4.24Å; L238-V314 HydrophobicContact CD1-CB 4.42Å; L238-V314 HydrophobicContact CD1-CG1 4.24Å; L238-V316 HydrophobicContact CD1-CB 4.2Å; L238-V316 HydrophobicContact CD2-CB 4.22Å; L238-V316 HydrophobicContact CD2-CG1 3.96Å; L238-V316 HydrophobicContact CG-CB 3.94Å; L238-V316 HydrophobicContact CG-CG1 3.75Å; L238-P317 PolarHBondContact N-O 3.49Å; L238-K319 PolarHBondContact O-N 2.9Å; L238-Y320 PolarHBondContact O-N 3.07Å
239A97.3Very high95.3Very high11 Ų1135.6 Ų35.69%0.09122%0.218CC..EExtended strand (participates in β ladder)trans-120.9112.2164.300000108.2I174 G175 I176 V177 A241 Y320I174-A239 HydrophobicContact CG2-CB 4.01Å; G175-A239 PolarHBondContact O-N 2.89Å; I176-A239 HydrophobicContact CD1-CB 3.63Å; V177-A239 PolarHBondContact N-O 3.07Å; V177-A239 VanDerWaalsContact O-O 3.11Å; A239-A241 PolarHBondContact O-N 3.46Å; A239-Y320 CarbonylContact C-O 3.59Å; A239-Y320 VanDerWaalsContact CA-O 3.27Å; A239-Y320 WeakPolarHBondContact CA-O 3.05Å; A239-Y320 HydrophobicContact CB-CD2 4.02Å; A239-Y320 HydrophobicContact CB-CG 4.34Å
240L96.4Very high95Very high19 Ų1942 Ų4210%0.09925%0.248CC..EExtended strand (participates in β ladder)trans-90.5101.1-177.7-17067.7000110.6V177 A179 F243 Y306 V307 I310 Y320V177-L240 HydrophobicContact CB-CD1 4.35Å; V177-L240 HydrophobicContact CG1-CD1 4.06Å; V177-L240 CarbonylContact O-C 3.55Å; V177-L240 VanDerWaalsContact O-CA 3.3Å; V177-L240 WeakPolarHBondContact O-CA 3.29Å; A179-L240 HydrophobicContact CB-CD1 4.19Å; A179-L240 HydrophobicContact CB-CG 4.36Å; L240-F243 HydrophobicContact CD2-CD2 3.97Å; L240-F243 HydrophobicContact CD2-CE2 4.45Å; L240-F243 HydrophobicContact CD2-CG 4.26Å; L240-Y306 HydrophobicContact CD2-CD1 4.21Å; L240-Y306 HydrophobicContact CD2-CE1 4.16Å; L240-V307 HydrophobicContact CD2-CG2 3.92Å; L240-I310 HydrophobicContact CD1-CD1 3.98Å; L240-I310 HydrophobicContact CD2-CD1 4.07Å; L240-Y320 PolarHBondContact N-O 3Å
241A96.4Very high94.8Very high38 Ų3844.3 Ų44.331%0.31426%0.257SS..EExtended strand (participates in β ladder)trans-91.8154.7-177.400000112.9V177 K178 A179 A239 F243V177-A241 PolarHBondContact O-N 3.05Å; K178-A241 WeakPolarHBondContact CA-O 3.4Å; A179-A241 PolarHBondContact N-O 3.35Å; A239-A241 PolarHBondContact O-N 3.46Å; A241-F243 PolarHBondContact O-N 2.96Å
242K95.8Very high94.9Very high72 Ų7240.1 Ų40.131%0.31322%0.223SC..  trans55.634176.4-57.1-161.4173.1-170.20113.9K178 Y180 G205 E207 D244 V245K178-K242 HydrophobicContact CD-CD 4.13Å; K178-K242 HydrophobicContact CG-CB 4.06Å; K178-K242 HydrophobicContact CG-CD 4.36Å; K178-K242 HydrophobicContact CG-CG 4.38Å; Y180-K242 HydrophobicContact CE1-CB 3.88Å; Y180-K242 HydrophobicContact CE1-CD 4.41Å; Y180-K242 VanDerWaalsContact OH-CD 3.23Å; Y180-K242 WeakPolarHBondContact OH-CD 3.48Å; G205-K242 PolarHBondContact O-NZ 2.83Å; E207-K242 IonicContact OE1-NZ 2.88Å; E207-K242 PolarHBondContact OE1-NZ 3.25Å; E207-K242 IonicContact OE2-NZ 2.87Å; K242-D244 VanDerWaalsContact C-OD1 3.3Å; K242-D244 VanDerWaalsContact CA-OD1 3.31Å; K242-D244 WeakPolarHBondContact CA-OD1 3.46Å; K242-D244 PolarHBondContact O-N 3.32Å; K242-V245 HydrophobicContact CB-CG2 3.9Å; K242-V245 HydrophobicContact CD-CG2 4.48Å; K242-V245 WeakPolarHBondContact O-CB 3.38Å; K242-V245 PolarHBondContact O-N 2.82Å
243F92.4Very high95.1Very high21 Ų2140 Ų409%0.09222%0.217CC..G310 helixtrans-65.4-33.1179.7-178.2-132.8000111.8A179 L240 A241 V245 L246 W286 I290 L299 A303 Y306 V307A179-F243 HydrophobicContact CB-CB 4.41Å; A179-F243 HydrophobicContact CB-CD2 4.16Å; L240-F243 HydrophobicContact CD2-CD2 3.97Å; L240-F243 HydrophobicContact CD2-CE2 4.45Å; L240-F243 HydrophobicContact CD2-CG 4.26Å; A241-F243 PolarHBondContact O-N 2.96Å; F243-V245 PolarHBondContact O-N 3.48Å; F243-L246 PolarHBondContact O-N 3.45Å; F243-L246 VanDerWaalsContact O-N 3.16Å; F243-W286 AromaticContact CD2-CH2 3.96Å; F243-W286 HydrophobicContact CD2-CH2 3.96Å; F243-W286 HydrophobicContact CD2-CZ2 4.14Å; F243-W286 HydrophobicContact CE1-CZ2 4.48Å; F243-W286 AromaticContact CE2-CH2 3.17Å; F243-W286 HydrophobicContact CE2-CH2 3.17Å; F243-W286 AromaticContact CE2-CZ2 3.6Å; F243-W286 HydrophobicContact CE2-CZ2 3.6Å; F243-W286 AromaticContact CE2-CZ3 3.89Å; F243-W286 HydrophobicContact CE2-CZ3 3.89Å; F243-W286 AromaticContact CZ-CH2 3.61Å; F243-W286 HydrophobicContact CZ-CH2 3.61Å; F243-W286 AromaticContact CZ-CZ2 3.79Å; F243-W286 HydrophobicContact CZ-CZ2 3.79Å; F243-W286 HydrophobicContact CZ-CZ3 4.06Å; F243-I290 HydrophobicContact CB-CD1 4.33Å; F243-I290 HydrophobicContact CD1-CD1 3.22Å; F243-I290 HydrophobicContact CE1-CD1 3.6Å; F243-I290 HydrophobicContact CG-CD1 3.92Å; F243-L299 HydrophobicContact CE1-CD2 4.46Å; F243-A303 HydrophobicContact CE1-CB 3.73Å; F243-A303 HydrophobicContact CZ-CB 3.55Å; F243-A303 WeakPolarHBondContact CZ-O 3.28Å; F243-Y306 AromaticContact CD2-CD1 3.97Å; F243-Y306 HydrophobicContact CD2-CD1 3.97Å; F243-Y306 HydrophobicContact CD2-CE1 4.19Å; F243-Y306 AromaticContact CE2-CD1 3.35Å; F243-Y306 HydrophobicContact CE2-CD1 3.35Å; F243-Y306 HydrophobicContact CE2-CE1 4Å; F243-Y306 AromaticContact CE2-CG 3.95Å; F243-Y306 HydrophobicContact CE2-CG 3.95Å; F243-Y306 HydrophobicContact CZ-CD1 4.28Å; F243-V307 HydrophobicContact CE1-CG2 4.4Å; F243-V307 HydrophobicContact CZ-CG2 4.25Å
244D95.7Very high95.2Very high74 Ų7439.5 Ų39.540%0.39621%0.214SC..G310 helixtrans-59.4-25.4174.659.7-63000114K242 L246 D247 I290K242-D244 VanDerWaalsContact C-OD1 3.3Å; K242-D244 VanDerWaalsContact CA-OD1 3.31Å; K242-D244 WeakPolarHBondContact CA-OD1 3.46Å; K242-D244 PolarHBondContact O-N 3.32Å; D244-L246 PolarHBondContact O-N 3.05Å; D244-L246 VanDerWaalsContact O-N 3.13Å; D244-D247 WeakPolarHBondContact O-CB 3.28Å; D244-D247 PolarHBondContact O-N 3.32Å; D244-D247 VanDerWaalsContact O-N 3.15Å; D244-I290 HydrophobicContact CB-CD1 4.34Å; D244-I290 HydrophobicContact CB-CG1 3.9Å
245V96.3Very high95.2Very high4 Ų437.4 Ų37.42%0.02419%0.193CC..G310 helixtrans-61.7-25.6177.6174.40000111.5Y180 L201 I204 K242 F243 F249Y180-V245 HydrophobicContact CD1-CB 4.37Å; Y180-V245 HydrophobicContact CD1-CG1 4.23Å; Y180-V245 HydrophobicContact CE1-CB 3.62Å; Y180-V245 HydrophobicContact CE1-CG1 3.56Å; Y180-V245 HydrophobicContact CE1-CG2 3.88Å; L201-V245 HydrophobicContact CD2-CG1 4.08Å; I204-V245 HydrophobicContact CB-CG1 4.1Å; I204-V245 HydrophobicContact CG2-CB 4.26Å; I204-V245 HydrophobicContact CG2-CG1 3.91Å; I204-V245 HydrophobicContact CG2-CG2 4.32Å; K242-V245 HydrophobicContact CB-CG2 3.9Å; K242-V245 HydrophobicContact CD-CG2 4.48Å; K242-V245 WeakPolarHBondContact O-CB 3.38Å; K242-V245 PolarHBondContact O-N 2.82Å; F243-V245 PolarHBondContact O-N 3.48Å; V245-F249 VanDerWaalsContact O-CE2 3.22Å; V245-F249 WeakPolarHBondContact O-CE2 3.38Å
246L96.7Very high95.1Very high0 Ų037.2 Ų37.20%020%0.195CC..G310 helixtrans-85.4-5.2-177.6-57.1-175.9000113.9A179 Y180 L201 W220 F243 D244 T248 F249 I252 W286 Y306A179-L246 HydrophobicContact CB-CD1 3.82Å; A179-L246 HydrophobicContact CB-CG 4.37Å; Y180-L246 HydrophobicContact CD1-CD2 4.31Å; L201-L246 HydrophobicContact CD2-CD2 3.8Å; W220-L246 HydrophobicContact CZ3-CD2 4.39Å; F243-L246 PolarHBondContact O-N 3.45Å; F243-L246 VanDerWaalsContact O-N 3.16Å; D244-L246 PolarHBondContact O-N 3.05Å; D244-L246 VanDerWaalsContact O-N 3.13Å; L246-T248 VanDerWaalsContact C-N 3.25Å; L246-T248 PolarHBondContact O-N 2.72Å; L246-T248 VanDerWaalsContact O-N 3.11Å; L246-F249 HydrophobicContact CD2-CD2 4.4Å; L246-F249 PolarHBondContact O-N 2.83Å; L246-I252 HydrophobicContact CB-CD1 3.99Å; L246-I252 HydrophobicContact CD1-CD1 4.44Å; L246-I252 HydrophobicContact CD1-CG2 4.16Å; L246-W286 HydrophobicContact CB-CH2 3.75Å; L246-W286 HydrophobicContact CB-CZ2 3.7Å; L246-W286 HydrophobicContact CD1-CH2 4.23Å; L246-Y306 HydrophobicContact CD1-CE1 4.24Å; L246-Y306 HydrophobicContact CD1-CE2 4.31Å
247D95.6Very high94.9Very high11 Ų1136.6 Ų36.66%0.05919%0.193CC..THydrogen-bonded Turntrans-51.7-39.9-172.9-72.5-8.4000113.7D244 W286 K287 E288 S289 I290D244-D247 WeakPolarHBondContact O-CB 3.28Å; D244-D247 PolarHBondContact O-N 3.32Å; D244-D247 VanDerWaalsContact O-N 3.15Å; D247-W286 PolarHBondContact OD1-NE1 3.32Å; D247-K287 VanDerWaalsContact O-CA 3.32Å; D247-K287 WeakPolarHBondContact O-CA 3.4Å; D247-K287 PolarHBondContact O-N 3.46Å; D247-E288 VanDerWaalsContact CG-O 3.29Å; D247-S289 VanDerWaalsContact OD2-CA 3.22Å; D247-S289 WeakPolarHBondContact OD2-CA 3.46Å; D247-I290 WeakPolarHBondContact OD1-CG1 3.36Å; D247-I290 PolarHBondContact OD2-N 3.28Å
248T88.2Confident94.7Very high96 Ų9633.8 Ų33.859%0.58918%0.18SC*.THydrogen-bonded Turntrans-100.41.7-170.465.30000114.6L246L246-T248 VanDerWaalsContact C-N 3.25Å; L246-T248 PolarHBondContact O-N 2.72Å; L246-T248 VanDerWaalsContact O-N 3.11Å
249F92.8Very high94.4Very high14 Ų1436.6 Ų36.66%0.06119%0.192CC..  trans-74.4141.5-176.9-78.8-99.8000111.2I197 T200 L201 I204 W220 V245 L246 I252 R285I197-F249 HydrophobicContact CG2-CD1 4.03Å; I197-F249 HydrophobicContact CG2-CE1 3.63Å; T200-F249 HydrophobicContact CG2-CE1 4.13Å; T200-F249 HydrophobicContact CG2-CE2 4.27Å; T200-F249 HydrophobicContact CG2-CZ 3.67Å; L201-F249 HydrophobicContact CB-CZ 4.33Å; L201-F249 HydrophobicContact CD2-CE1 4.06Å; L201-F249 HydrophobicContact CD2-CE2 3.77Å; L201-F249 HydrophobicContact CD2-CZ 3.4Å; L201-F249 HydrophobicContact CG-CE1 3.94Å; L201-F249 HydrophobicContact CG-CE2 4.39Å; L201-F249 HydrophobicContact CG-CZ 3.54Å; I204-F249 HydrophobicContact CD1-CE2 4.08Å; W220-F249 AromaticContact CH2-CD1 3.96Å; W220-F249 HydrophobicContact CH2-CD1 3.96Å; W220-F249 HydrophobicContact CH2-CE1 4.45Å; V245-F249 VanDerWaalsContact O-CE2 3.22Å; V245-F249 WeakPolarHBondContact O-CE2 3.38Å; L246-F249 HydrophobicContact CD2-CD2 4.4Å; L246-F249 PolarHBondContact O-N 2.83Å; F249-I252 HydrophobicContact CB-CG1 4.27Å; F249-R285 WeakPolarHBondContact O-CD 3.26Å
250E88.1Confident94.1Very high139 Ų13937 Ų3765%0.6519%0.193SC*.SBendtrans-73.5-28.3177.1-77.7-65.8134.800112.8R285E250-R285 WeakPolarHBondContact O-CD 3.44Å; E250-R285 PolarHBondContact O-NE 3.38Å; E250-R285 IonicContact OE1-CZ 2.68Å; E250-R285 IonicContact OE1-NH1 3.31Å; E250-R285 PolarHBondContact OE1-NH1 3.15Å; E250-R285 IonicContact OE1-NH2 3.32Å; E250-R285 PolarHBondContact OE1-NH2 2.83Å; E250-R285 IonicContact OE2-CZ 2.81Å; E250-R285 IonicContact OE2-NE 2.81Å; E250-R285 IonicContact OE2-NH1 3.09Å; E250-R285 IonicContact OE2-NH2 2.58Å; E250-R285 PolarHBondContact OE2-NH2 3.44Å
251E89.6Confident93.7Very high81 Ų8142.3 Ų42.338%0.37922%0.221SC..  trans-146.5138.8179.3-173.4174.171.200108.4W220 K253 V282W220-E251 VanDerWaalsContact CH2-O 3.27Å; W220-E251 WeakPolarHBondContact CH2-O 3.41Å; E251-K253 VanDerWaalsContact CD-CE 3.46Å; E251-K253 HydrophobicContact CG-CG 4.45Å; E251-K253 WeakPolarHBondContact OE1-CE 3.33Å; E251-K253 IonicContact OE1-NZ 2.8Å; E251-K253 PolarHBondContact OE1-NZ 2.72Å; E251-V282 HydrophobicContact CG-CG1 3.55Å; E251-V282 WeakPolarHBondContact OE2-CG1 3.35Å
252I95.7Very high93.2Very high0 Ų047 Ų470%024%0.241CC..EExtended strand (participates in β ladder)trans-118.3126.9175.7-60.1172.1000107.7W220 L246 F249 L283 R285 W286 Y306W220-I252 HydrophobicContact CZ3-CG2 4.33Å; L246-I252 HydrophobicContact CB-CD1 3.99Å; L246-I252 HydrophobicContact CD1-CD1 4.44Å; L246-I252 HydrophobicContact CD1-CG2 4.16Å; F249-I252 HydrophobicContact CB-CG1 4.27Å; I252-L283 PolarHBondContact O-N 3.31Å; I252-R285 HydrophobicContact CD1-CB 4.36Å; I252-W286 HydrophobicContact CD1-CE3 4.04Å; I252-W286 HydrophobicContact CD1-CH2 3.57Å; I252-W286 HydrophobicContact CD1-CZ2 4.35Å; I252-W286 HydrophobicContact CD1-CZ3 3.4Å; I252-W286 VanDerWaalsContact CD1-CZ3 3.4Å; I252-Y306 HydrophobicContact CG2-CD2 4.01Å; I252-Y306 HydrophobicContact CG2-CE2 3.5Å
253K97.4Very high92.9Very high58 Ų5847.9 Ų47.925%0.25225%0.253SS..EExtended strand (participates in β ladder)trans-114.3149.2175.8-57.2-173.1-175175.90111.4W220 E251 Y280 E281 V282W220-K253 WeakPolarHBondContact CB-O 2.87Å; W220-K253 HydrophobicContact CD2-CB 3.92Å; W220-K253 HydrophobicContact CG-CB 3.85Å; E251-K253 VanDerWaalsContact CD-CE 3.46Å; E251-K253 HydrophobicContact CG-CG 4.45Å; E251-K253 WeakPolarHBondContact OE1-CE 3.33Å; E251-K253 IonicContact OE1-NZ 2.8Å; E251-K253 PolarHBondContact OE1-NZ 2.72Å; K253-Y280 HydrophobicContact CB-CD1 3.76Å; K253-Y280 HydrophobicContact CB-CG 4.26Å; K253-Y280 HydrophobicContact CD-CD1 4.39Å; K253-Y280 HydrophobicContact CD-CG 4.18Å; K253-E281 WeakPolarHBondContact CA-O 3.22Å; K253-V282 HydrophobicContact CD-CG2 4.48Å; K253-V282 HydrophobicContact CG-CG2 4.24Å
254I97.4Very high92.7Very high0 Ų050.3 Ų50.30%028%0.277CS..EExtended strand (participates in β ladder)trans-126.2132166.760.1170.9000108.6L221 I223 V256 Y280 E281 L283 Y306 R309 L313L221-I254 HydrophobicContact CB-CG2 4.07Å; L221-I254 HydrophobicContact CD2-CG2 4.34Å; I223-I254 HydrophobicContact CG1-CB 4.48Å; I223-I254 HydrophobicContact CG1-CD1 4.44Å; I254-V256 HydrophobicContact CD1-CG1 3.99Å; I254-V256 HydrophobicContact CG1-CG1 3.82Å; I254-V256 PolarHBondContact O-N 2.64Å; I254-Y280 CarbonylContact O-C 3.49Å; I254-Y280 VanDerWaalsContact O-CA 3.31Å; I254-Y280 WeakPolarHBondContact O-CA 3.34Å; I254-E281 HydrophobicContact CD1-CB 4.44Å; I254-E281 HydrophobicContact CG1-CB 3.89Å; I254-E281 PolarHBondContact N-O 2.87Å; I254-E281 PolarHBondContact O-N 2.85Å; I254-L283 HydrophobicContact CD1-CD1 3.84Å; I254-L283 HydrophobicContact CD1-CG 4.49Å; I254-L283 HydrophobicContact CG1-CD1 4.15Å; I254-L283 HydrophobicContact CG1-CG 4.49Å; I254-L283 HydrophobicContact CG2-CD1 4.17Å; I254-Y306 HydrophobicContact CG2-CE2 3.7Å; I254-R309 HydrophobicContact CD1-CG 3.9Å; I254-L313 HydrophobicContact CD1-CD1 3.48Å; I254-L313 VanDerWaalsContact CD1-CD1 3.48Å
255G96.7Very high92.2Very high0 Ų048.6 Ų48.60%027%0.267CS..EExtended strand (participates in β ladder)trans-78.7112.8175.600000109.6L221 I223 D279L221-G255 PolarHBondContact O-N 2.96Å; I223-G255 VanDerWaalsContact CB-O 3.23Å; I223-G255 WeakPolarHBondContact CB-O 3.49Å; I223-G255 WeakPolarHBondContact CG1-O 3.41Å; I223-G255 PolarHBondContact N-O 2.96Å; G255-D279 CarbonylContact C-O 3.59Å; G255-D279 WeakPolarHBondContact CA-O 3.32Å
256V95.8Very high91Very high29 Ų2956.7 Ų56.718%0.17631%0.305CS..EExtended strand (participates in β ladder)trans-103.9-25-167.4-63.60000114.4I254 D279 E281 L313I254-V256 HydrophobicContact CD1-CG1 3.99Å; I254-V256 HydrophobicContact CG1-CG1 3.82Å; I254-V256 PolarHBondContact O-N 2.64Å; V256-D279 HydrophobicContact CG2-CB 4.48Å; V256-D279 PolarHBondContact N-O 2.83Å; V256-E281 HydrophobicContact CG1-CB 3.72Å; V256-L313 HydrophobicContact CG1-CD1 3.89Å
257S93.7Very high89.6Confident39 Ų3962.3 Ų62.327%0.27334%0.335SS..EExtended strand (participates in β ladder)trans-150.4162.1176.850.20000111.3D279S257-D279 PolarHBondContact O-N 2.92Å; S257-D279 WeakPolarHBondContact OG-CB 3.31Å; S257-D279 PolarHBondContact OG-OD2 3.38Å
258Y93.5Very high87.9Confident0 Ų063.2 Ų63.20%034%0.342CS..EExtended strand (participates in β ladder)trans-111.4147.3172.8-64.4-28000111.1P190 D222 M224 I265 F273 V276 E277 V278P190-Y258 HydrophobicContact CB-CE1 3.95Å; P190-Y258 HydrophobicContact CG-CE1 4.31Å; D222-Y258 PolarHBondContact OD1-OH 3.5Å; D222-Y258 PolarHBondContact OD2-OH 3.38Å; M224-Y258 HydrophobicContact CB-CD1 4.48Å; M224-Y258 HydrophobicContact CB-CD2 3.94Å; M224-Y258 HydrophobicContact CB-CE1 4.07Å; M224-Y258 HydrophobicContact CB-CE2 3.48Å; M224-Y258 VanDerWaalsContact CB-CE2 3.48Å; M224-Y258 HydrophobicContact CB-CG 4.42Å; M224-Y258 HydrophobicContact CG-CD1 4.14Å; M224-Y258 HydrophobicContact CG-CD2 4.02Å; M224-Y258 HydrophobicContact CG-CE1 4.16Å; M224-Y258 HydrophobicContact CG-CE2 4.04Å; M224-Y258 HydrophobicContact CG-CG 4.07Å; Y258-I265 HydrophobicContact CD2-CD1 4.5Å; Y258-I265 PolarHBondContact O-N 2.65Å; Y258-F273 HydrophobicContact CE2-CD2 4.23Å; Y258-F273 AromaticContact CE2-CE2 3.65Å; Y258-F273 HydrophobicContact CE2-CE2 3.65Å; Y258-F273 AromaticContact CZ-CE2 3.81Å; Y258-F273 VanDerWaalsContact OH-CE2 3.29Å; Y258-F273 WeakPolarHBondContact OH-CE2 3.32Å; Y258-V276 HydrophobicContact CD1-CB 4.48Å; Y258-V276 HydrophobicContact CD1-CG2 4.08Å; Y258-V276 HydrophobicContact CD2-CG1 4.45Å; Y258-V276 HydrophobicContact CD2-CG2 4.38Å; Y258-V276 HydrophobicContact CE1-CG2 4.28Å; Y258-V276 HydrophobicContact CG-CB 4.17Å; Y258-V276 HydrophobicContact CG-CG1 4.49Å; Y258-V276 HydrophobicContact CG-CG2 4.12Å; Y258-E277 CarbonylContact C-O 3.45Å; Y258-E277 VanDerWaalsContact CA-O 3.31Å; Y258-E277 WeakPolarHBondContact CA-O 3.01Å; Y258-V278 HydrophobicContact CD1-CG2 3.97Å; Y258-V278 HydrophobicContact CE1-CG2 3.9Å
259K91.9Very high86.8Confident62 Ų6263.1 Ų63.127%0.2734%0.337SS..EExtended strand (participates in β ladder)trans-121.2150.5168.8-72.6169.7175.6159.20110.2T263 V276 E277 D279K259-T263 CarbonylContact C-O 3.51Å; K259-T263 VanDerWaalsContact CA-O 3.31Å; K259-T263 WeakPolarHBondContact CA-O 3.36Å; K259-V276 WeakPolarHBondContact O-CA 3.18Å; K259-E277 HydrophobicContact CB-CB 4.28Å; K259-E277 PolarHBondContact N-O 2.97Å; K259-E277 PolarHBondContact O-N 3.27Å; K259-D279 WeakPolarHBondContact CD-OD2 3.48Å; K259-D279 VanDerWaalsContact CE-OD1 3.29Å; K259-D279 WeakPolarHBondContact CE-OD1 3.33Å; K259-D279 WeakPolarHBondContact CE-OD2 3.21Å; K259-D279 IonicContact NZ-OD1 2.99Å; K259-D279 PolarHBondContact NZ-OD1 3.3Å; K259-D279 IonicContact NZ-OD2 3.7Å; K259-D279 PolarHBondContact NZ-OD2 3.22Å
260L90.5Very high85.7Confident20 Ų2065.8 Ų65.811%0.10536%0.362CS..EExtended strand (participates in β ladder)trans-135.8117.8167.7-177.472.8000107.7D262 T263 I265 K272 Q275L260-D262 PolarHBondContact O-N 3.16Å; L260-T263 PolarHBondContact N-O 3.04Å; L260-T263 WeakPolarHBondContact O-CB 3.4Å; L260-T263 PolarHBondContact O-N 3.12Å; L260-T263 VanDerWaalsContact O-N 3.11Å; L260-I265 HydrophobicContact CB-CG2 4.08Å; L260-K272 HydrophobicContact CD2-CB 4.47Å; L260-K272 HydrophobicContact CD2-CD 3.43Å; L260-K272 VanDerWaalsContact CD2-CD 3.43Å; L260-Q275 HydrophobicContact CD1-CB 3.59Å; L260-Q275 WeakPolarHBondContact CD1-O 3.49Å
261N88.4Confident85Confident130 Ų13064 Ų6470%0.69537%0.365SS*.THydrogen-bonded Turntrans50.655.7-174.3-52.7-34000111.4T263N261-T263 PolarHBondContact O-N 3.27Å; N261-T263 PolarHBondContact O-OG1 2.78Å
262D85.9Confident84.6Confident137 Ų13764 Ų6473%0.73336%0.364SS*.THydrogen-bonded Turntrans59.32.9-177.1-62.7-56.4000116.5L260L260-D262 PolarHBondContact O-N 3.16Å
263T88.2Confident83.9Confident91 Ų9164.4 Ų64.456%0.55837%0.366SS*.EExtended strand (participates in β ladder)trans-98.9122179-54.70000109.8K259 L260 N261 I265K259-T263 CarbonylContact C-O 3.51Å; K259-T263 VanDerWaalsContact CA-O 3.31Å; K259-T263 WeakPolarHBondContact CA-O 3.36Å; L260-T263 PolarHBondContact N-O 3.04Å; L260-T263 WeakPolarHBondContact O-CB 3.4Å; L260-T263 PolarHBondContact O-N 3.12Å; L260-T263 VanDerWaalsContact O-N 3.11Å; N261-T263 PolarHBondContact O-N 3.27Å; N261-T263 PolarHBondContact O-OG1 2.78Å; T263-I265 PolarHBondContact O-N 3.3Å
264A88.3Confident83.3Confident72 Ų7265.5 Ų65.560%0.59539%0.386SS*.EExtended strand (participates in β ladder)trans-59.9129.1173.600000110.1
265I84.9Confident82.9Confident37 Ų3771.3 Ų71.319%0.1941%0.413CS..EExtended strand (participates in β ladder)trans-109.4131.7174.663.3177000108.9Y258 L260 T263 V276Y258-I265 HydrophobicContact CD2-CD1 4.5Å; Y258-I265 PolarHBondContact O-N 2.65Å; L260-I265 HydrophobicContact CB-CG2 4.08Å; T263-I265 PolarHBondContact O-N 3.3Å; I265-V276 HydrophobicContact CD1-CG1 3.69Å
266Q71.8Confident82.6Confident174 Ų17472.2 Ų72.281%0.81342%0.418SS*.SBendtrans-78.8-26.9176.8-66.8-167.1-15.200111.8M224M224-Q266 WeakPolarHBondContact CE-O 3.05Å
267D66.6Low82.5Confident118 Ų11875.9 Ų75.963%0.63143%0.434SS*.SBendtrans-121.7135.3-175.1-63.9-38.1000111.5L269D267-L269 PolarHBondContact O-N 2.97Å
268S60.5Low82.5Confident31 Ų3175.1 Ų75.122%0.21743%0.427CS..  trans-68.792.9164.9580000109A270S268-A270 PolarHBondContact O-N 3.29Å; S268-A270 VanDerWaalsContact O-N 3.1Å
269L64.5Low82.6Confident93 Ų9377.2 Ų77.249%0.48744%0.438SS..  trans-62.9115.4166.6-69.1175.2000107.7D267 S271 K272 F273D267-L269 PolarHBondContact O-N 2.97Å; L269-S271 PolarHBondContact O-N 2.93Å; L269-K272 HydrophobicContact CB-CB 4.22Å; L269-K272 HydrophobicContact CB-CG 4.2Å; L269-K272 HydrophobicContact CD1-CD 4.02Å; L269-K272 HydrophobicContact CD1-CG 4.45Å; L269-K272 CarbonylContact O-C 3.59Å; L269-K272 PolarHBondContact O-N 3.13Å; L269-F273 PolarHBondContact O-N 3.32Å; L269-F273 VanDerWaalsContact O-N 3.09Å
270A69.6Low82.9Confident71 Ų7178.2 Ų78.259%0.58744%0.441SS*.THydrogen-bonded Turntrans-52.4-33.3-175.600000112.9S268S268-A270 PolarHBondContact O-N 3.29Å; S268-A270 VanDerWaalsContact O-N 3.1Å
271S74.4Confident83.2Confident102 Ų10279.6 Ų79.671%0.71345%0.447SS*.THydrogen-bonded Turntrans-72.8-23.4177.354.90000114.6L269L269-S271 PolarHBondContact O-N 2.93Å
272K80.3Confident83.7Confident81 Ų8177.2 Ų77.235%0.35244%0.437SS..THydrogen-bonded Turntrans-109.41.3-176.2-54.3-165.2-175.3179.10113.4L260 L269 A274 Q275L260-K272 HydrophobicContact CD2-CB 4.47Å; L260-K272 HydrophobicContact CD2-CD 3.43Å; L260-K272 VanDerWaalsContact CD2-CD 3.43Å; L269-K272 HydrophobicContact CB-CB 4.22Å; L269-K272 HydrophobicContact CB-CG 4.2Å; L269-K272 HydrophobicContact CD1-CD 4.02Å; L269-K272 HydrophobicContact CD1-CG 4.45Å; L269-K272 CarbonylContact O-C 3.59Å; L269-K272 PolarHBondContact O-N 3.13Å; K272-A274 PolarHBondContact O-N 3.13Å; K272-Q275 WeakPolarHBondContact O-CB 3.46Å; K272-Q275 PolarHBondContact O-N 3.42Å
273F82.3Confident84.1Confident7 Ų771.5 Ų71.53%0.03141%0.406CS..THydrogen-bonded Turntrans-58.8-23.7-175.6-161.9-113.3000113.7T145 P188 P190 Y258 L269 Q275 V276T145-F273 HydrophobicContact CG2-CD1 3.64Å; T145-F273 HydrophobicContact CG2-CE1 3.8Å; T145-F273 HydrophobicContact CG2-CG 4.06Å; T145-F273 HydrophobicContact CG2-CZ 4.32Å; P188-F273 HydrophobicContact CB-CB 4.48Å; P188-F273 HydrophobicContact CB-CD1 3.62Å; P188-F273 HydrophobicContact CB-CE1 4.37Å; P188-F273 HydrophobicContact CB-CG 4.46Å; P188-F273 HydrophobicContact CG-CB 4.28Å; P188-F273 HydrophobicContact CG-CD1 3.56Å; P188-F273 HydrophobicContact CG-CE1 4.43Å; P188-F273 HydrophobicContact CG-CG 4.4Å; P190-F273 HydrophobicContact CG-CD1 4.1Å; P190-F273 HydrophobicContact CG-CD2 4.29Å; P190-F273 HydrophobicContact CG-CE1 3.62Å; P190-F273 HydrophobicContact CG-CE2 3.84Å; P190-F273 HydrophobicContact CG-CG 4.43Å; P190-F273 HydrophobicContact CG-CZ 3.48Å; P190-F273 VanDerWaalsContact CG-CZ 3.48Å; Y258-F273 HydrophobicContact CE2-CD2 4.23Å; Y258-F273 AromaticContact CE2-CE2 3.65Å; Y258-F273 HydrophobicContact CE2-CE2 3.65Å; Y258-F273 AromaticContact CZ-CE2 3.81Å; Y258-F273 VanDerWaalsContact OH-CE2 3.29Å; Y258-F273 WeakPolarHBondContact OH-CE2 3.32Å; L269-F273 PolarHBondContact O-N 3.32Å; L269-F273 VanDerWaalsContact O-N 3.09Å; F273-Q275 VanDerWaalsContact C-N 3.33Å; F273-V276 WeakPolarHBondContact O-CG2 3.33Å
274A85.2Confident84.3Confident82 Ų8270.5 Ų70.568%0.67840%0.401SS*.THydrogen-bonded Turntrans-77.6-13.3174.400000114.6P188 K272P188-A274 HydrophobicContact CB-CB 3.97Å; K272-A274 PolarHBondContact O-N 3.13Å
275Q88.2Confident84.5Confident121 Ų12169.1 Ų69.157%0.56538%0.381SS*.SBendtrans-107.6-1.3-173.3-59.1172.326.700112.6L260 K272 F273L260-Q275 HydrophobicContact CD1-CB 3.59Å; L260-Q275 WeakPolarHBondContact CD1-O 3.49Å; K272-Q275 WeakPolarHBondContact O-CB 3.46Å; K272-Q275 PolarHBondContact O-N 3.42Å; F273-Q275 VanDerWaalsContact C-N 3.33Å
276V90.8Very high84.9Confident19 Ų1968 Ų6812%0.11537%0.374CS..PPolyproline II helixtrans-76.9138.8-174.7-55.30000110.8P190 Y258 K259 I265 F273P190-V276 HydrophobicContact CB-CG2 3.76Å; P190-V276 HydrophobicContact CG-CG2 3.63Å; Y258-V276 HydrophobicContact CD1-CB 4.48Å; Y258-V276 HydrophobicContact CD1-CG2 4.08Å; Y258-V276 HydrophobicContact CD2-CG1 4.45Å; Y258-V276 HydrophobicContact CD2-CG2 4.38Å; Y258-V276 HydrophobicContact CE1-CG2 4.28Å; Y258-V276 HydrophobicContact CG-CB 4.17Å; Y258-V276 HydrophobicContact CG-CG1 4.49Å; Y258-V276 HydrophobicContact CG-CG2 4.12Å; K259-V276 WeakPolarHBondContact O-CA 3.18Å; I265-V276 HydrophobicContact CD1-CG1 3.69Å; F273-V276 WeakPolarHBondContact O-CG2 3.33Å
277E92.8Very high85.7Confident107 Ų10765.9 Ų65.950%0.536%0.362SS..EExtended strand (participates in β ladder)trans-92.6140.5164.9-67.3173.9-156.300108.8Y258 K259Y258-E277 CarbonylContact C-O 3.45Å; Y258-E277 VanDerWaalsContact CA-O 3.31Å; Y258-E277 WeakPolarHBondContact CA-O 3.01Å; K259-E277 HydrophobicContact CB-CB 4.28Å; K259-E277 PolarHBondContact N-O 2.97Å; K259-E277 PolarHBondContact O-N 3.27Å
278V94.5Very high86.9Confident22 Ų2266 Ų6613%0.13336%0.359CS..EExtended strand (participates in β ladder)trans-103.9125.6-177.3-175.60000109.8P190 T191 Y258 Y280P190-V278 HydrophobicContact CB-CG2 3.47Å; P190-V278 VanDerWaalsContact CB-CG2 3.47Å; P190-V278 WeakPolarHBondContact O-CG2 3.37Å; T191-V278 HydrophobicContact CG2-CG1 4.13Å; T191-V278 HydrophobicContact CG2-CG2 4.35Å; Y258-V278 HydrophobicContact CD1-CG2 3.97Å; Y258-V278 HydrophobicContact CE1-CG2 3.9Å; V278-Y280 HydrophobicContact CB-CD2 4.42Å; V278-Y280 HydrophobicContact CB-CE2 3.73Å; V278-Y280 HydrophobicContact CG1-CD1 4.29Å; V278-Y280 HydrophobicContact CG1-CD2 4.23Å; V278-Y280 HydrophobicContact CG1-CE1 3.86Å; V278-Y280 HydrophobicContact CG1-CE2 3.81Å; V278-Y280 HydrophobicContact CG1-CG 4.46Å; V278-Y280 WeakPolarHBondContact O-CD2 3.27Å; V278-Y280 WeakPolarHBondContact O-CE2 3.14Å
279D95.4Very high88.5Confident45 Ų4568.5 Ų68.524%0.24138%0.376CS..EExtended strand (participates in β ladder)trans-83.1131.9165.1-64.8-51.2000109.6G255 V256 S257 K259G255-D279 CarbonylContact C-O 3.59Å; G255-D279 WeakPolarHBondContact CA-O 3.32Å; V256-D279 HydrophobicContact CG2-CB 4.48Å; V256-D279 PolarHBondContact N-O 2.83Å; S257-D279 PolarHBondContact O-N 2.92Å; S257-D279 WeakPolarHBondContact OG-CB 3.31Å; S257-D279 PolarHBondContact OG-OD2 3.38Å; K259-D279 WeakPolarHBondContact CD-OD2 3.48Å; K259-D279 VanDerWaalsContact CE-OD1 3.29Å; K259-D279 WeakPolarHBondContact CE-OD1 3.33Å; K259-D279 WeakPolarHBondContact CE-OD2 3.21Å; K259-D279 IonicContact NZ-OD1 2.99Å; K259-D279 PolarHBondContact NZ-OD1 3.3Å; K259-D279 IonicContact NZ-OD2 3.7Å; K259-D279 PolarHBondContact NZ-OD2 3.22Å
280Y97.7Very high90Very high83 Ų8364.7 Ų64.733%0.32536%0.357SS..EExtended strand (participates in β ladder)trans-110137.6-178.8-68.6-83.3000111.9T191 W220 K253 I254 V278T191-Y280 WeakPolarHBondContact CA-OH 3.46Å; T191-Y280 HydrophobicContact CG2-CE1 4.09Å; W220-Y280 HydrophobicContact CB-CD1 4.5Å; W220-Y280 HydrophobicContact CB-CE1 3.91Å; W220-Y280 AromaticContact CD1-CE1 3.84Å; W220-Y280 HydrophobicContact CG-CE1 4.22Å; K253-Y280 HydrophobicContact CB-CD1 3.76Å; K253-Y280 HydrophobicContact CB-CG 4.26Å; K253-Y280 HydrophobicContact CD-CD1 4.39Å; K253-Y280 HydrophobicContact CD-CG 4.18Å; I254-Y280 CarbonylContact O-C 3.49Å; I254-Y280 VanDerWaalsContact O-CA 3.31Å; I254-Y280 WeakPolarHBondContact O-CA 3.34Å; V278-Y280 HydrophobicContact CB-CD2 4.42Å; V278-Y280 HydrophobicContact CB-CE2 3.73Å; V278-Y280 HydrophobicContact CG1-CD1 4.29Å; V278-Y280 HydrophobicContact CG1-CD2 4.23Å; V278-Y280 HydrophobicContact CG1-CE1 3.86Å; V278-Y280 HydrophobicContact CG1-CE2 3.81Å; V278-Y280 HydrophobicContact CG1-CG 4.46Å; V278-Y280 WeakPolarHBondContact O-CD2 3.27Å; V278-Y280 WeakPolarHBondContact O-CE2 3.14Å
281E97.5Very high91.1Very high49 Ų4968.4 Ų68.423%0.22936%0.362CS..EExtended strand (participates in β ladder)trans-92.9130.1160.7-174.7176.2155.500109.1K253 I254 V256 L283 R309K253-E281 WeakPolarHBondContact CA-O 3.22Å; I254-E281 HydrophobicContact CD1-CB 4.44Å; I254-E281 HydrophobicContact CG1-CB 3.89Å; I254-E281 PolarHBondContact N-O 2.87Å; I254-E281 PolarHBondContact O-N 2.85Å; V256-E281 HydrophobicContact CG1-CB 3.72Å; E281-L283 HydrophobicContact CG-CD2 4.04Å; E281-L283 VanDerWaalsContact OE1-CD2 3.31Å; E281-L283 WeakPolarHBondContact OE1-CD2 3.21Å; E281-R309 VanDerWaalsContact CD-NE 3.27Å; E281-R309 IonicContact OE1-CZ 3.63Å; E281-R309 IonicContact OE1-NE 3.01Å; E281-R309 PolarHBondContact OE1-NE 3.32Å; E281-R309 IonicContact OE1-NH2 3.17Å; E281-R309 IonicContact OE2-CZ 3.09Å; E281-R309 IonicContact OE2-NE 3.65Å; E281-R309 PolarHBondContact OE2-NE 2.93Å; E281-R309 IonicContact OE2-NH2 3.22Å; E281-R309 PolarHBondContact OE2-NH2 3.16Å
282V97.4Very high92Very high79 Ų7970.4 Ų70.448%0.47936%0.364SS..EExtended strand (participates in β ladder)trans-92.4120.6175.3-179.70000108.6E251 K253E251-V282 HydrophobicContact CG-CG1 3.55Å; E251-V282 WeakPolarHBondContact OE2-CG1 3.35Å; K253-V282 HydrophobicContact CD-CG2 4.48Å; K253-V282 HydrophobicContact CG-CG2 4.24Å
283L95.4Very high92.7Very high18 Ų1868.7 Ų68.79%0.09436%0.361CS..EExtended strand (participates in β ladder)trans-105145.6-179.4-64.9-178.7000111.3I252 I254 E281 R285 Y306 R309I252-L283 PolarHBondContact O-N 3.31Å; I254-L283 HydrophobicContact CD1-CD1 3.84Å; I254-L283 HydrophobicContact CD1-CG 4.49Å; I254-L283 HydrophobicContact CG1-CD1 4.15Å; I254-L283 HydrophobicContact CG1-CG 4.49Å; I254-L283 HydrophobicContact CG2-CD1 4.17Å; E281-L283 HydrophobicContact CG-CD2 4.04Å; E281-L283 VanDerWaalsContact OE1-CD2 3.31Å; E281-L283 WeakPolarHBondContact OE1-CD2 3.21Å; L283-R285 PolarHBondContact O-N 3.5Å; L283-Y306 HydrophobicContact CD1-CD2 3.46Å; L283-Y306 VanDerWaalsContact CD1-CD2 3.46Å; L283-Y306 HydrophobicContact CD1-CE2 3.88Å; L283-Y306 HydrophobicContact CD1-CG 4.4Å; L283-R309 HydrophobicContact CD1-CB 4.4Å; L283-R309 HydrophobicContact CD1-CG 4.31Å; L283-R309 HydrophobicContact CD2-CG 4.27Å
284P92.9Very high93.3Very high70 Ų7074.4 Ų74.446%0.45540%0.396SS..  trans-66.8131.7177.129.5-35.1000110.1N302P284-N302 HydrophobicContact CB-CB 4.42Å; P284-N302 HydrophobicContact CG-CB 4.25Å; P284-N302 WeakPolarHBondContact O-CB 3.41Å
285R92.1Very high93.8Very high43 Ų4375.2 Ų75.216%0.16239%0.386CS..  trans-72.5167.2173.863.3174.6175.6142.1-4.4112.9F249 E250 I252 L283 K287 N302F249-R285 WeakPolarHBondContact O-CD 3.26Å; E250-R285 WeakPolarHBondContact O-CD 3.44Å; E250-R285 PolarHBondContact O-NE 3.38Å; E250-R285 IonicContact OE1-CZ 2.68Å; E250-R285 IonicContact OE1-NH1 3.31Å; E250-R285 PolarHBondContact OE1-NH1 3.15Å; E250-R285 IonicContact OE1-NH2 3.32Å; E250-R285 PolarHBondContact OE1-NH2 2.83Å; E250-R285 IonicContact OE2-CZ 2.81Å; E250-R285 IonicContact OE2-NE 2.81Å; E250-R285 IonicContact OE2-NH1 3.09Å; E250-R285 IonicContact OE2-NH2 2.58Å; E250-R285 PolarHBondContact OE2-NH2 3.44Å; I252-R285 HydrophobicContact CD1-CB 4.36Å; L283-R285 PolarHBondContact O-N 3.5Å; R285-K287 HydrophobicContact CG-CG 3.85Å; R285-K287 VanDerWaalsContact CZ-NZ 3.29Å; R285-K287 VanDerWaalsContact NH1-CD 3.26Å; R285-K287 VanDerWaalsContact NH1-CG 3.31Å; R285-N302 PolarHBondContact O-ND2 2.81Å
286W93.8Very high94Very high12 Ų1274.8 Ų74.85%0.04538%0.382CS..  trans-110-21.6174.548.896.1000115.8F243 L246 D247 I252 E288 P300 N302 A303 Y306F243-W286 AromaticContact CD2-CH2 3.96Å; F243-W286 HydrophobicContact CD2-CH2 3.96Å; F243-W286 HydrophobicContact CD2-CZ2 4.14Å; F243-W286 HydrophobicContact CE1-CZ2 4.48Å; F243-W286 AromaticContact CE2-CH2 3.17Å; F243-W286 HydrophobicContact CE2-CH2 3.17Å; F243-W286 AromaticContact CE2-CZ2 3.6Å; F243-W286 HydrophobicContact CE2-CZ2 3.6Å; F243-W286 AromaticContact CE2-CZ3 3.89Å; F243-W286 HydrophobicContact CE2-CZ3 3.89Å; F243-W286 AromaticContact CZ-CH2 3.61Å; F243-W286 HydrophobicContact CZ-CH2 3.61Å; F243-W286 AromaticContact CZ-CZ2 3.79Å; F243-W286 HydrophobicContact CZ-CZ2 3.79Å; F243-W286 HydrophobicContact CZ-CZ3 4.06Å; L246-W286 HydrophobicContact CB-CH2 3.75Å; L246-W286 HydrophobicContact CB-CZ2 3.7Å; L246-W286 HydrophobicContact CD1-CH2 4.23Å; D247-W286 PolarHBondContact OD1-NE1 3.32Å; I252-W286 HydrophobicContact CD1-CE3 4.04Å; I252-W286 HydrophobicContact CD1-CH2 3.57Å; I252-W286 HydrophobicContact CD1-CZ2 4.35Å; I252-W286 HydrophobicContact CD1-CZ3 3.4Å; I252-W286 VanDerWaalsContact CD1-CZ3 3.4Å; W286-E288 VanDerWaalsContact CD1-O 3.26Å; W286-E288 PolarHBondContact O-N 2.9Å; W286-E288 VanDerWaalsContact O-N 3.09Å; W286-P300 HydrophobicContact CB-CB 3.66Å; W286-P300 HydrophobicContact CB-CG 4.25Å; W286-P300 HydrophobicContact CG-CB 4.36Å; W286-N302 HydrophobicContact CB-CB 4.36Å; W286-A303 HydrophobicContact CD2-CB 3.89Å; W286-A303 HydrophobicContact CE3-CB 4.05Å; W286-A303 HydrophobicContact CG-CB 4.15Å; W286-Y306 HydrophobicContact CH2-CG 4.47Å; W286-Y306 HydrophobicContact CZ3-CD2 4.46Å; W286-Y306 HydrophobicContact CZ3-CG 4.22Å
287K88.2Confident94.2Very high131 Ų13180.1 Ų80.157%0.5741%0.41SS*.  trans57.518.6174.3-37.3-169.6-161.8-161.40116.3D247 R285D247-K287 VanDerWaalsContact O-CA 3.32Å; D247-K287 WeakPolarHBondContact O-CA 3.4Å; D247-K287 PolarHBondContact O-N 3.46Å; R285-K287 HydrophobicContact CG-CG 3.85Å; R285-K287 VanDerWaalsContact CZ-NZ 3.29Å; R285-K287 VanDerWaalsContact NH1-CD 3.26Å; R285-K287 VanDerWaalsContact NH1-CG 3.31Å
288E91.9Very high94.3Very high119 Ų11979.9 Ų79.956%0.55641%0.409SS*.SBendtrans-130.1143.8-176.1-71.3178.2-118.800108.5D247 W286 P300D247-E288 VanDerWaalsContact CG-O 3.29Å; W286-E288 VanDerWaalsContact CD1-O 3.26Å; W286-E288 PolarHBondContact O-N 2.9Å; W286-E288 VanDerWaalsContact O-N 3.09Å; E288-P300 HydrophobicContact CB-CB 4.42Å; E288-P300 HydrophobicContact CB-CG 3.74Å
289S94.3Very high94.3Very high84 Ų8480.3 Ų80.359%0.58741%0.411SS*.  trans-73.7131.2177.7-174.90000110.7D247 Q291D247-S289 VanDerWaalsContact OD2-CA 3.22Å; D247-S289 WeakPolarHBondContact OD2-CA 3.46Å; S289-Q291 PolarHBondContact OG-N 3.33Å
290I95.3Very high94.3Very high14 Ų1478.9 Ų78.97%0.07240%0.404CS..  trans-104.55.117670.6-177.9000113.2F243 D244 D247 N292 V293 L299 P300F243-I290 HydrophobicContact CB-CD1 4.33Å; F243-I290 HydrophobicContact CD1-CD1 3.22Å; F243-I290 HydrophobicContact CE1-CD1 3.6Å; F243-I290 HydrophobicContact CG-CD1 3.92Å; D244-I290 HydrophobicContact CB-CD1 4.34Å; D244-I290 HydrophobicContact CB-CG1 3.9Å; D247-I290 WeakPolarHBondContact OD1-CG1 3.36Å; D247-I290 PolarHBondContact OD2-N 3.28Å; I290-N292 PolarHBondContact O-N 3.17Å; I290-V293 HydrophobicContact CB-CG2 4.15Å; I290-V293 WeakPolarHBondContact O-CB 3.3Å; I290-V293 PolarHBondContact O-N 3.39Å; I290-L299 HydrophobicContact CB-CD2 4.08Å; I290-L299 HydrophobicContact CD1-CD2 4.37Å; I290-L299 HydrophobicContact CG2-CD2 4Å; I290-P300 HydrophobicContact CG2-CG 4.01Å
291Q92.8Very high94.1Very high149 Ų14981.2 Ų81.270%0.69642%0.421SS*.THydrogen-bonded Turntrans-54.7-31.6-171.8-175.1179.1-0.200114S289S289-Q291 PolarHBondContact OG-N 3.33Å
292N93.9Very high94Very high143 Ų14380.6 Ų80.677%0.76542%0.419SS*.THydrogen-bonded Turntrans-104.75.9-177.8-61-45.7000113.5I290I290-N292 PolarHBondContact O-N 3.17Å
293V94.9Very high93.9Very high46 Ų4676.8 Ų76.828%0.27940%0.397SS..  trans-77.6124.9-179.6177.90000109.5I290 E295 Q298 L299I290-V293 HydrophobicContact CB-CG2 4.15Å; I290-V293 WeakPolarHBondContact O-CB 3.3Å; I290-V293 PolarHBondContact O-N 3.39Å; V293-E295 VanDerWaalsContact CG1-O 3.26Å; V293-E295 WeakPolarHBondContact CG1-O 3.36Å; V293-Q298 HydrophobicContact CG1-CB 3.92Å; V293-L299 HydrophobicContact CB-CD2 4.19Å; V293-L299 HydrophobicContact CG1-CD2 3.77Å; V293-L299 HydrophobicContact CG1-CG 4.04Å; V293-L299 HydrophobicContact CG2-CD2 4.5Å
294T94.8Very high93.9Very high126 Ų12677 Ų7777%0.77340%0.399SS*.  trans-111.4-9.5-179.557.50000113.8
295E94.6Very high94Very high99 Ų9978 Ų7846%0.46340%0.396SS..SBendtrans-127.5136.9-178.7-57.6-179.9172.100110.8V293 N297 Q298V293-E295 VanDerWaalsContact CG1-O 3.26Å; V293-E295 WeakPolarHBondContact CG1-O 3.36Å; E295-N297 VanDerWaalsContact C-N 3.27Å; E295-N297 WeakPolarHBondContact CB-OD1 3.47Å; E295-N297 PolarHBondContact O-N 2.9Å; E295-N297 PolarHBondContact OE2-OD1 2.67Å; E295-Q298 HydrophobicContact CB-CG 3.99Å; E295-Q298 WeakPolarHBondContact O-CB 3.16Å; E295-Q298 PolarHBondContact O-N 3.39Å; E295-Q298 PolarHBondContact OE2-NE2 3.48Å
296F92.8Very high94.2Very high112 Ų11276.1 Ų76.149%0.49139%0.389SS..G310 helixtrans-61.3-33.8-174.7-174.7-97.4000113.5Q298 L299 P304 V307F296-Q298 PolarHBondContact O-N 3.02Å; F296-L299 HydrophobicContact CD2-CD1 3.71Å; F296-L299 HydrophobicContact CE2-CD1 4.01Å; F296-L299 HydrophobicContact CG-CD1 4.31Å; F296-L299 WeakPolarHBondContact O-CB 3.46Å; F296-L299 PolarHBondContact O-N 3.05Å; F296-P304 HydrophobicContact CE1-CB 3.89Å; F296-P304 HydrophobicContact CE1-CG 4.35Å; F296-P304 HydrophobicContact CE2-CB 4.46Å; F296-P304 HydrophobicContact CZ-CB 3.67Å; F296-P304 HydrophobicContact CZ-CG 4.3Å; F296-V307 HydrophobicContact CE2-CB 4.34Å; F296-V307 HydrophobicContact CE2-CG1 4.3Å; F296-V307 HydrophobicContact CE2-CG2 4.35Å
297N94.6Very high94.3Very high131 Ų13176 Ų7670%0.70139%0.39SS*.G310 helixtrans-74.3-10.7178.463.4-16.1000113.8E295E295-N297 VanDerWaalsContact C-N 3.27Å; E295-N297 WeakPolarHBondContact CB-OD1 3.47Å; E295-N297 PolarHBondContact O-N 2.9Å; E295-N297 PolarHBondContact OE2-OD1 2.67Å
298Q95.4Very high94.7Very high103 Ų10374.7 Ų74.748%0.48139%0.385SS..G310 helixtrans-92.4-4175.6-64.2176.7-1.100112.3V293 E295 F296V293-Q298 HydrophobicContact CG1-CB 3.92Å; E295-Q298 HydrophobicContact CB-CG 3.99Å; E295-Q298 WeakPolarHBondContact O-CB 3.16Å; E295-Q298 PolarHBondContact O-N 3.39Å; E295-Q298 PolarHBondContact OE2-NE2 3.48Å; F296-Q298 PolarHBondContact O-N 3.02Å
299L95.5Very high95Very high30 Ų3071.8 Ų71.816%0.15737%0.369CS..SBendtrans-67.7145.3176-69.6169.9000111F243 I290 V293 F296 A303 P304F243-L299 HydrophobicContact CE1-CD2 4.46Å; I290-L299 HydrophobicContact CB-CD2 4.08Å; I290-L299 HydrophobicContact CD1-CD2 4.37Å; I290-L299 HydrophobicContact CG2-CD2 4Å; V293-L299 HydrophobicContact CB-CD2 4.19Å; V293-L299 HydrophobicContact CG1-CD2 3.77Å; V293-L299 HydrophobicContact CG1-CG 4.04Å; V293-L299 HydrophobicContact CG2-CD2 4.5Å; F296-L299 HydrophobicContact CD2-CD1 3.71Å; F296-L299 HydrophobicContact CE2-CD1 4.01Å; F296-L299 HydrophobicContact CG-CD1 4.31Å; F296-L299 WeakPolarHBondContact O-CB 3.46Å; F296-L299 PolarHBondContact O-N 3.05Å; L299-A303 HydrophobicContact CB-CB 4.09Å; L299-A303 HydrophobicContact CD2-CB 4.49Å; L299-P304 HydrophobicContact CB-CG 3.79Å; L299-P304 HydrophobicContact CD1-CG 4.26Å
300P95Very high95.1Very high15 Ų1567.8 Ų67.810%0.09734%0.342CS..  trans-56.3147.4173.5-24.733.2000111.9W286 E288 I290 N302 A303 P304W286-P300 HydrophobicContact CB-CB 3.66Å; W286-P300 HydrophobicContact CB-CG 4.25Å; W286-P300 HydrophobicContact CG-CB 4.36Å; E288-P300 HydrophobicContact CB-CB 4.42Å; E288-P300 HydrophobicContact CB-CG 3.74Å; I290-P300 HydrophobicContact CG2-CG 4.01Å; P300-N302 PolarHBondContact O-N 3.41Å; P300-A303 WeakPolarHBondContact O-CB 3.31Å; P300-A303 PolarHBondContact O-N 3.14Å; P300-P304 WeakPolarHBondContact O-CD 3.3Å
301L93.4Very high95.2Very high133 Ų13369.8 Ų69.870%0.69635%0.35SS*.THydrogen-bonded Turntrans-45.7-36.7-168.9-179.164.1000116.2
302N95.1Very high95.5Very high35 Ų3569 Ų6919%0.18735%0.347CS..Hα-helixtrans-89.3-16.6-177-64.6-31.4000114P284 R285 W286 P300 K305 Y306P284-N302 HydrophobicContact CB-CB 4.42Å; P284-N302 HydrophobicContact CG-CB 4.25Å; P284-N302 WeakPolarHBondContact O-CB 3.41Å; R285-N302 PolarHBondContact O-ND2 2.81Å; W286-N302 HydrophobicContact CB-CB 4.36Å; P300-N302 PolarHBondContact O-N 3.41Å; N302-K305 PolarHBondContact O-N 3.15Å; N302-K305 PolarHBondContact OD1-NZ 3.06Å; N302-K305 VanDerWaalsContact OD1-NZ 3.11Å; N302-Y306 PolarHBondContact O-N 3.26Å; N302-Y306 VanDerWaalsContact O-N 3.13Å
303A95.1Very high95.6Very high0 Ų063.5 Ų63.50%032%0.317CS..Hα-helixtrans-66.1-49.1177.600000112.3F243 W286 L299 P300 K305 Y306 V307F243-A303 HydrophobicContact CE1-CB 3.73Å; F243-A303 HydrophobicContact CZ-CB 3.55Å; F243-A303 WeakPolarHBondContact CZ-O 3.28Å; W286-A303 HydrophobicContact CD2-CB 3.89Å; W286-A303 HydrophobicContact CE3-CB 4.05Å; W286-A303 HydrophobicContact CG-CB 4.15Å; L299-A303 HydrophobicContact CB-CB 4.09Å; L299-A303 HydrophobicContact CD2-CB 4.49Å; P300-A303 WeakPolarHBondContact O-CB 3.31Å; P300-A303 PolarHBondContact O-N 3.14Å; A303-K305 VanDerWaalsContact C-N 3.26Å; A303-K305 PolarHBondContact O-N 3.02Å; A303-Y306 WeakPolarHBondContact O-CB 3.23Å; A303-Y306 PolarHBondContact O-N 2.9Å; A303-Y306 VanDerWaalsContact O-N 3.16Å; A303-V307 PolarHBondContact O-N 3.25Å
304P95.1Very high95.7Very high21 Ų2161.8 Ų61.814%0.13631%0.307CS..Hα-helixtrans-58.5-35.3172.2-29.238.4000113.6F296 L299 P300 Y306 V307 Q308F296-P304 HydrophobicContact CE1-CB 3.89Å; F296-P304 HydrophobicContact CE1-CG 4.35Å; F296-P304 HydrophobicContact CE2-CB 4.46Å; F296-P304 HydrophobicContact CZ-CB 3.67Å; F296-P304 HydrophobicContact CZ-CG 4.3Å; L299-P304 HydrophobicContact CB-CG 3.79Å; L299-P304 HydrophobicContact CD1-CG 4.26Å; P300-P304 WeakPolarHBondContact O-CD 3.3Å; P304-Y306 VanDerWaalsContact C-N 3.32Å; P304-Y306 PolarHBondContact O-N 3.35Å; P304-V307 PolarHBondContact O-N 3.43Å; P304-Q308 WeakPolarHBondContact O-CB 3.47Å; P304-Q308 VanDerWaalsContact O-CG 3.27Å; P304-Q308 WeakPolarHBondContact O-CG 3.41Å; P304-Q308 PolarHBondContact O-N 3.03Å
305K95.4Very high95.8Very high91 Ų9158.7 Ų58.740%0.39630%0.3SS..Hα-helixtrans-64.7-37.6178-63.6178.9-170.3165.80111.8N302 A303 Q308 R309N302-K305 PolarHBondContact O-N 3.15Å; N302-K305 PolarHBondContact OD1-NZ 3.06Å; N302-K305 VanDerWaalsContact OD1-NZ 3.11Å; A303-K305 VanDerWaalsContact C-N 3.26Å; A303-K305 PolarHBondContact O-N 3.02Å; K305-Q308 PolarHBondContact O-N 2.77Å; K305-R309 VanDerWaalsContact O-CB 3.3Å; K305-R309 WeakPolarHBondContact O-CB 3.46Å; K305-R309 PolarHBondContact O-N 2.81Å
306Y95.9Very high96Very high4 Ų454.2 Ų54.22%0.01628%0.28CS..Hα-helixtrans-60.5-46.7174-176.4-91.4000111.2A179 L240 F243 L246 I252 I254 L283 W286 N302 A303 P304 R309 I310A179-Y306 HydrophobicContact CB-CE1 4.21Å; A179-Y306 PolarHBondContact O-OH 2.85Å; L240-Y306 HydrophobicContact CD2-CD1 4.21Å; L240-Y306 HydrophobicContact CD2-CE1 4.16Å; F243-Y306 AromaticContact CD2-CD1 3.97Å; F243-Y306 HydrophobicContact CD2-CD1 3.97Å; F243-Y306 HydrophobicContact CD2-CE1 4.19Å; F243-Y306 AromaticContact CE2-CD1 3.35Å; F243-Y306 HydrophobicContact CE2-CD1 3.35Å; F243-Y306 HydrophobicContact CE2-CE1 4Å; F243-Y306 AromaticContact CE2-CG 3.95Å; F243-Y306 HydrophobicContact CE2-CG 3.95Å; F243-Y306 HydrophobicContact CZ-CD1 4.28Å; L246-Y306 HydrophobicContact CD1-CE1 4.24Å; L246-Y306 HydrophobicContact CD1-CE2 4.31Å; I252-Y306 HydrophobicContact CG2-CD2 4.01Å; I252-Y306 HydrophobicContact CG2-CE2 3.5Å; I254-Y306 HydrophobicContact CG2-CE2 3.7Å; L283-Y306 HydrophobicContact CD1-CD2 3.46Å; L283-Y306 VanDerWaalsContact CD1-CD2 3.46Å; L283-Y306 HydrophobicContact CD1-CE2 3.88Å; L283-Y306 HydrophobicContact CD1-CG 4.4Å; W286-Y306 HydrophobicContact CH2-CG 4.47Å; W286-Y306 HydrophobicContact CZ3-CD2 4.46Å; W286-Y306 HydrophobicContact CZ3-CG 4.22Å; N302-Y306 PolarHBondContact O-N 3.26Å; N302-Y306 VanDerWaalsContact O-N 3.13Å; A303-Y306 WeakPolarHBondContact O-CB 3.23Å; A303-Y306 PolarHBondContact O-N 2.9Å; A303-Y306 VanDerWaalsContact O-N 3.16Å; P304-Y306 VanDerWaalsContact C-N 3.32Å; P304-Y306 PolarHBondContact O-N 3.35Å; Y306-R309 PolarHBondContact O-N 3.33Å; Y306-I310 HydrophobicContact CD1-CD1 3.73Å; Y306-I310 HydrophobicContact CE1-CD1 3.25Å; Y306-I310 HydrophobicContact CE1-CG1 4.36Å; Y306-I310 WeakPolarHBondContact O-CG1 2.94Å; Y306-I310 PolarHBondContact O-N 3.12Å; Y306-I310 VanDerWaalsContact O-N 3.16Å
307V96.2Very high96.2Very high11 Ų1152.5 Ų52.57%0.06728%0.28CS..Hα-helixtrans-61.5-51.3176.7-179.10000111L240 F243 F296 A303 P304 R309 I310 E311L240-V307 HydrophobicContact CD2-CG2 3.92Å; F243-V307 HydrophobicContact CE1-CG2 4.4Å; F243-V307 HydrophobicContact CZ-CG2 4.25Å; F296-V307 HydrophobicContact CE2-CB 4.34Å; F296-V307 HydrophobicContact CE2-CG1 4.3Å; F296-V307 HydrophobicContact CE2-CG2 4.35Å; A303-V307 PolarHBondContact O-N 3.25Å; P304-V307 PolarHBondContact O-N 3.43Å; V307-R309 VanDerWaalsContact C-N 3.26Å; V307-R309 PolarHBondContact O-N 2.79Å; V307-I310 WeakPolarHBondContact O-CB 3.42Å; V307-I310 PolarHBondContact O-N 3.28Å; V307-I310 VanDerWaalsContact O-N 3.08Å; V307-E311 HydrophobicContact CG1-CG 4.46Å; V307-E311 WeakPolarHBondContact O-CG 3.49Å; V307-E311 PolarHBondContact O-N 3.04Å
308Q96.6Very high96.3Very high102 Ų10247.5 Ų47.548%0.47726%0.255SS..Hα-helixtrans-58-38.8179.1-73.3170.2-9.100112.1P304 K305 I310 E311 E312P304-Q308 WeakPolarHBondContact O-CB 3.47Å; P304-Q308 VanDerWaalsContact O-CG 3.27Å; P304-Q308 WeakPolarHBondContact O-CG 3.41Å; P304-Q308 PolarHBondContact O-N 3.03Å; K305-Q308 PolarHBondContact O-N 2.77Å; Q308-I310 VanDerWaalsContact C-N 3.35Å; Q308-I310 PolarHBondContact O-N 3.45Å; Q308-E311 PolarHBondContact O-N 3.1Å; Q308-E312 WeakPolarHBondContact O-CB 3.37Å; Q308-E312 PolarHBondContact O-N 3.25Å
309R97.4Very high96.2Very high58 Ų5848.6 Ų48.622%0.21926%0.258CS..Hα-helixtrans-65.8-38.7177.7-171.258.5176.3153.73.8112I254 E281 L283 K305 Y306 V307 E312 L313I254-R309 HydrophobicContact CD1-CG 3.9Å; E281-R309 VanDerWaalsContact CD-NE 3.27Å; E281-R309 IonicContact OE1-CZ 3.63Å; E281-R309 IonicContact OE1-NE 3.01Å; E281-R309 PolarHBondContact OE1-NE 3.32Å; E281-R309 IonicContact OE1-NH2 3.17Å; E281-R309 IonicContact OE2-CZ 3.09Å; E281-R309 IonicContact OE2-NE 3.65Å; E281-R309 PolarHBondContact OE2-NE 2.93Å; E281-R309 IonicContact OE2-NH2 3.22Å; E281-R309 PolarHBondContact OE2-NH2 3.16Å; L283-R309 HydrophobicContact CD1-CB 4.4Å; L283-R309 HydrophobicContact CD1-CG 4.31Å; L283-R309 HydrophobicContact CD2-CG 4.27Å; K305-R309 VanDerWaalsContact O-CB 3.3Å; K305-R309 WeakPolarHBondContact O-CB 3.46Å; K305-R309 PolarHBondContact O-N 2.81Å; Y306-R309 PolarHBondContact O-N 3.33Å; V307-R309 VanDerWaalsContact C-N 3.26Å; V307-R309 PolarHBondContact O-N 2.79Å; R309-E312 IonicContact CZ-OE2 3.68Å; R309-E312 IonicContact NH1-OE1 2.66Å; R309-E312 PolarHBondContact NH1-OE1 3.42Å; R309-E312 IonicContact NH1-OE2 3.35Å; R309-E312 PolarHBondContact NH1-OE2 2.94Å; R309-L313 HydrophobicContact CG-CD1 3.91Å; R309-L313 HydrophobicContact CG-CG 4.46Å; R309-L313 VanDerWaalsContact O-CB 3.3Å; R309-L313 WeakPolarHBondContact O-CB 3.33Å; R309-L313 WeakPolarHBondContact O-CG 3.12Å; R309-L313 PolarHBondContact O-N 3.03Å
310I97.3Very high96.2Very high1 Ų155.6 Ų55.61%0.00528%0.284CS..Hα-helixtrans-64.3-45.3173.1-67.1167.9000110.6L221 L238 L240 Y306 V307 Q308 E312 L313 V314L221-I310 HydrophobicContact CD2-CD1 3.36Å; L221-I310 HydrophobicContact CD2-CG1 3.62Å; L238-I310 HydrophobicContact CD1-CG2 4.24Å; L240-I310 HydrophobicContact CD1-CD1 3.98Å; L240-I310 HydrophobicContact CD2-CD1 4.07Å; Y306-I310 HydrophobicContact CD1-CD1 3.73Å; Y306-I310 HydrophobicContact CE1-CD1 3.25Å; Y306-I310 HydrophobicContact CE1-CG1 4.36Å; Y306-I310 WeakPolarHBondContact O-CG1 2.94Å; Y306-I310 PolarHBondContact O-N 3.12Å; Y306-I310 VanDerWaalsContact O-N 3.16Å; V307-I310 WeakPolarHBondContact O-CB 3.42Å; V307-I310 PolarHBondContact O-N 3.28Å; V307-I310 VanDerWaalsContact O-N 3.08Å; Q308-I310 VanDerWaalsContact C-N 3.35Å; Q308-I310 PolarHBondContact O-N 3.45Å; I310-E312 VanDerWaalsContact C-N 3.35Å; I310-E312 PolarHBondContact O-N 3.36Å; I310-L313 PolarHBondContact O-N 3.47Å; I310-V314 HydrophobicContact CG2-CG2 4.05Å; I310-V314 WeakPolarHBondContact O-CB 3.15Å; I310-V314 VanDerWaalsContact O-CG2 3.31Å; I310-V314 WeakPolarHBondContact O-CG2 3.44Å; I310-V314 PolarHBondContact O-N 2.81Å
311E97.8Very high96.2Very high55 Ų5557.7 Ų57.726%0.25729%0.293SS..Hα-helixtrans-58.6-46.4178.2-66.9177.2144.600111.7V307 Q308 G315 V316 S318V307-E311 HydrophobicContact CG1-CG 4.46Å; V307-E311 WeakPolarHBondContact O-CG 3.49Å; V307-E311 PolarHBondContact O-N 3.04Å; Q308-E311 PolarHBondContact O-N 3.1Å; E311-G315 VanDerWaalsContact O-CA 3.29Å; E311-G315 WeakPolarHBondContact O-CA 3.3Å; E311-G315 PolarHBondContact O-N 3.12Å; E311-V316 PolarHBondContact O-N 3.02Å; E311-S318 WeakPolarHBondContact CG-OG 3.2Å; E311-S318 WeakPolarHBondContact OE1-CA 3.38Å; E311-S318 VanDerWaalsContact OE1-CB 3.26Å; E311-S318 WeakPolarHBondContact OE1-CB 3.4Å; E311-S318 PolarHBondContact OE1-N 3.3Å
312E98Very high96.4Very high134 Ų13453.7 Ų53.763%0.62627%0.272SS*.Hα-helixtrans-60.6-48.3177-173.4-166161.200111.2Q308 R309 I310Q308-E312 WeakPolarHBondContact O-CB 3.37Å; Q308-E312 PolarHBondContact O-N 3.25Å; R309-E312 IonicContact CZ-OE2 3.68Å; R309-E312 IonicContact NH1-OE1 2.66Å; R309-E312 PolarHBondContact NH1-OE1 3.42Å; R309-E312 IonicContact NH1-OE2 3.35Å; R309-E312 PolarHBondContact NH1-OE2 2.94Å; I310-E312 VanDerWaalsContact C-N 3.35Å; I310-E312 PolarHBondContact O-N 3.36Å
313L96.8Very high96.4Very high26 Ų2654.7 Ų54.714%0.13628%0.277CS..Hα-helixtrans-71.6-37.8-175.9-73.3173.2000112.7I223 K227 I254 V256 R309 I310I223-L313 HydrophobicContact CD1-CB 4.31Å; I223-L313 HydrophobicContact CD1-CD1 4.21Å; I223-L313 HydrophobicContact CG1-CB 4.49Å; I223-L313 HydrophobicContact CG1-CD1 3.98Å; I223-L313 HydrophobicContact CG2-CB 3.73Å; I223-L313 HydrophobicContact CG2-CD1 4.4Å; K227-L313 WeakPolarHBondContact CE-O 3.29Å; I254-L313 HydrophobicContact CD1-CD1 3.48Å; I254-L313 VanDerWaalsContact CD1-CD1 3.48Å; V256-L313 HydrophobicContact CG1-CD1 3.89Å; R309-L313 HydrophobicContact CG-CD1 3.91Å; R309-L313 HydrophobicContact CG-CG 4.46Å; R309-L313 VanDerWaalsContact O-CB 3.3Å; R309-L313 WeakPolarHBondContact O-CB 3.33Å; R309-L313 WeakPolarHBondContact O-CG 3.12Å; R309-L313 PolarHBondContact O-N 3.03Å; I310-L313 PolarHBondContact O-N 3.47Å
314V96.1Very high96.5Very high10 Ų1057.9 Ų57.96%0.06129%0.293CS..Hα-helixtrans-85.2-26.3-179.4-179.50000111.8I223 R226 N230 L238 I310 V316I223-V314 HydrophobicContact CD1-CG2 4.34Å; R226-V314 HydrophobicContact CB-CG1 4.4Å; R226-V314 HydrophobicContact CB-CG2 3.69Å; R226-V314 HydrophobicContact CG-CG2 4.38Å; N230-V314 HydrophobicContact CB-CG1 4.28Å; N230-V314 PolarHBondContact ND2-O 3.4Å; L238-V314 HydrophobicContact CD1-CB 4.42Å; L238-V314 HydrophobicContact CD1-CG1 4.24Å; I310-V314 HydrophobicContact CG2-CG2 4.05Å; I310-V314 WeakPolarHBondContact O-CB 3.15Å; I310-V314 VanDerWaalsContact O-CG2 3.31Å; I310-V314 WeakPolarHBondContact O-CG2 3.44Å; I310-V314 PolarHBondContact O-N 2.81Å; V314-V316 HydrophobicContact CG1-CB 4.33Å; V314-V316 HydrophobicContact CG1-CG2 4.06Å
315G97.7Very high96.6Very high62 Ų6260.3 Ų60.364%0.63930%0.303SS*.THydrogen-bonded Turntrans77.825.9-176.600000113.8E311E311-G315 VanDerWaalsContact O-CA 3.29Å; E311-G315 WeakPolarHBondContact O-CA 3.3Å; E311-G315 PolarHBondContact O-N 3.12Å
316V98.1Very high96.7Very high5 Ų558.2 Ų58.23%0.0330%0.297CS..  trans-135.9130.4-177.8-176.40000109.6N230 F235 L238 E311 V314N230-V316 WeakPolarHBondContact ND2-CG2 3.25Å; N230-V316 WeakPolarHBondContact OD1-CG2 3.28Å; F235-V316 HydrophobicContact CB-CG1 4.02Å; F235-V316 HydrophobicContact CB-CG2 4.29Å; F235-V316 WeakPolarHBondContact O-CG1 3.43Å; L238-V316 HydrophobicContact CD1-CB 4.2Å; L238-V316 HydrophobicContact CD2-CB 4.22Å; L238-V316 HydrophobicContact CD2-CG1 3.96Å; L238-V316 HydrophobicContact CG-CB 3.94Å; L238-V316 HydrophobicContact CG-CG1 3.75Å; E311-V316 PolarHBondContact O-N 3.02Å; V314-V316 HydrophobicContact CG1-CB 4.33Å; V314-V316 HydrophobicContact CG1-CG2 4.06Å
317P97.8Very high96.7Very high75 Ų7562.1 Ų62.149%0.48732%0.317SS..  trans-69.4143.2178.429.6-35.3000111.5K237 L238K237-P317 CarbonylContact C-O 3.46Å; K237-P317 VanDerWaalsContact CA-O 3.23Å; K237-P317 WeakPolarHBondContact CA-O 3.36Å; L238-P317 PolarHBondContact N-O 3.49Å
318S95.7Very high96.8Very high27 Ų2766 Ų6619%0.18934%0.336CS..BIsolated β-bridgetrans-84.1145170.5-58.20000109.8E311E311-S318 WeakPolarHBondContact CG-OG 3.2Å; E311-S318 WeakPolarHBondContact OE1-CA 3.38Å; E311-S318 VanDerWaalsContact OE1-CB 3.26Å; E311-S318 WeakPolarHBondContact OE1-CB 3.4Å; E311-S318 PolarHBondContact OE1-N 3.3Å
319K94.6Very high96.8Very high126 Ų12663 Ų6355%0.54832%0.324SS..  trans-124.9-25.3177.8-17959.9-175.8169.40113.1K237 L238K237-K319 HydrophobicContact CB-CB 4.11Å; K237-K319 HydrophobicContact CD-CB 3.82Å; K237-K319 HydrophobicContact CD-CG 3.96Å; K237-K319 HydrophobicContact CG-CB 4.29Å; L238-K319 PolarHBondContact O-N 2.9Å
320Y94Very high96.7Very high177 Ų17763.5 Ų63.569%0.69433%0.334SS*.  trans-1360-176.4-47.5-82.6000109.2I174 L238 A239 L240I174-Y320 HydrophobicContact CD1-CE2 3.99Å; I174-Y320 HydrophobicContact CG2-CD2 4.44Å; L238-Y320 PolarHBondContact O-N 3.07Å; A239-Y320 CarbonylContact C-O 3.59Å; A239-Y320 VanDerWaalsContact CA-O 3.27Å; A239-Y320 WeakPolarHBondContact CA-O 3.05Å; A239-Y320 HydrophobicContact CB-CD2 4.02Å; A239-Y320 HydrophobicContact CB-CG 4.34Å; L240-Y320 PolarHBondContact N-O 3Å

Retrieved 320 of 320 residues in 981.5 ms (Link to these results)

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