A0A3Q0KJJ0_SCHMA Loading...

Trim56 protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KJJ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 672 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
1M63.6Low76.6Confident106 Ų10688.5 Ų88.552%0.52245%0.445SS..  0-68.80-83.1-83.7-110.100111.1I3 R4 K5M1-I3 PolarHBondContact O-N 3.08Å; M1-R4 PolarHBondContact O-N 3.37Å; M1-R4 VanDerWaalsContact O-N 3.16Å; M1-K5 PolarHBondContact O-N 3.34Å
2E69.1Low77.2Confident154 Ų15482.8 Ų82.872%0.7242%0.417SS*.Hα-helixtrans-56-46.7179.8-71.3170.7-174.800113.5R4 K5 S6E2-R4 PolarHBondContact O-N 3.28Å; E2-K5 PolarHBondContact O-N 3.3Å; E2-S6 PolarHBondContact O-N 3.44Å; E2-S6 PolarHBondContact O-OG 3.08Å
3I76.4Confident77.9Confident109 Ų10978.8 Ų78.856%0.55940%0.399SS*.Hα-helixtrans-63.4-39.6178.3-60.4170.8000111.9M1 S6 I7 M142M1-I3 PolarHBondContact O-N 3.08Å; I3-S6 PolarHBondContact O-N 2.99Å; I3-S6 PolarHBondContact O-OG 2.92Å; I3-I7 HydrophobicContact CG2-CD1 3.65Å; I3-I7 HydrophobicContact CG2-CG1 4.29Å; I3-I7 VanDerWaalsContact O-CG1 3.25Å; I3-I7 WeakPolarHBondContact O-CG1 3.5Å; I3-I7 PolarHBondContact O-N 2.68Å; I3-M142 HydrophobicContact CG2-CE 4.1Å; I3-M142 HydrophobicContact CG2-SD 4.48Å
4R75.7Confident78.7Confident45 Ų4573.1 Ų73.117%0.1737%0.371CS..Hα-helixtrans-63.5-50178.7-176.4169.5-171.4-99.2-3.4110.7M1 E2 S6 I7 E8 V139 M142 N144M1-R4 PolarHBondContact O-N 3.37Å; M1-R4 VanDerWaalsContact O-N 3.16Å; E2-R4 PolarHBondContact O-N 3.28Å; R4-S6 VanDerWaalsContact C-N 3.3Å; R4-S6 PolarHBondContact O-N 3.4Å; R4-I7 PolarHBondContact O-N 3.21Å; R4-E8 IonicContact CZ-OE1 3.93Å; R4-E8 IonicContact NE-OE1 3.13Å; R4-E8 PolarHBondContact NE-OE1 3.02Å; R4-E8 IonicContact NH1-OE1 3.41Å; R4-E8 PolarHBondContact NH1-OE1 3.24Å; R4-E8 IonicContact NH2-OE1 2.94Å; R4-E8 PolarHBondContact NH2-OE1 3.44Å; R4-E8 VanDerWaalsContact NH2-OE1 3.14Å; R4-E8 WeakPolarHBondContact O-CB 3.49Å; R4-E8 WeakPolarHBondContact O-CG 3.47Å; R4-E8 PolarHBondContact O-N 3.46Å; R4-V139 HydrophobicContact CG-CG1 4.14Å; R4-M142 HydrophobicContact CB-SD 4.32Å; R4-N144 PolarHBondContact NE-OD1 2.83Å; R4-N144 PolarHBondContact NH1-ND2 2.74Å; R4-N144 PolarHBondContact NH1-OD1 2.86Å; R4-N144 PolarHBondContact NH2-ND2 3Å; R4-N144 PolarHBondContact NH2-OD1 2.94Å; R4-N144 VanDerWaalsContact NH2-OD1 3.09Å
5K75.9Confident79.2Confident135 Ų13575.1 Ų75.159%0.58738%0.376SS*.Hα-helixtrans-59.2-40.9177.4-69.6-178.4178.3-177.40111.6M1 E2 A9M1-K5 PolarHBondContact O-N 3.34Å; E2-K5 PolarHBondContact O-N 3.3Å; K5-A9 VanDerWaalsContact O-CB 3.29Å; K5-A9 WeakPolarHBondContact O-CB 3.42Å; K5-A9 PolarHBondContact O-N 3.05Å; K5-A9 VanDerWaalsContact O-N 3.11Å
6S80.5Confident79.5Confident53 Ų5374.8 Ų74.837%0.37137%0.372SS..Hα-helixtrans-70.7-37.4179.571.50000112.8E2 I3 R4 N10E2-S6 PolarHBondContact O-N 3.44Å; E2-S6 PolarHBondContact O-OG 3.08Å; I3-S6 PolarHBondContact O-N 2.99Å; I3-S6 PolarHBondContact O-OG 2.92Å; R4-S6 VanDerWaalsContact C-N 3.3Å; R4-S6 PolarHBondContact O-N 3.4Å; S6-N10 VanDerWaalsContact O-CB 3.23Å; S6-N10 WeakPolarHBondContact O-CB 3.16Å; S6-N10 VanDerWaalsContact O-CG 3.28Å; S6-N10 PolarHBondContact O-N 3.44Å; S6-N10 VanDerWaalsContact O-N 3.11Å; S6-N10 PolarHBondContact O-ND2 3.5Å
7I81.1Confident80.1Confident33 Ų3373.1 Ų73.117%0.16937%0.369CS..Hα-helixtrans-69.6-47.1177.8-64.2167.1000111I3 R4 A9 N10 F11 L12 V139I3-I7 HydrophobicContact CG2-CD1 3.65Å; I3-I7 HydrophobicContact CG2-CG1 4.29Å; I3-I7 VanDerWaalsContact O-CG1 3.25Å; I3-I7 WeakPolarHBondContact O-CG1 3.5Å; I3-I7 PolarHBondContact O-N 2.68Å; R4-I7 PolarHBondContact O-N 3.21Å; I7-A9 PolarHBondContact O-N 2.96Å; I7-N10 PolarHBondContact O-N 3.48Å; I7-F11 HydrophobicContact CG2-CD2 4.41Å; I7-F11 PolarHBondContact O-N 2.89Å; I7-L12 HydrophobicContact CG2-CD1 4.45Å; I7-V139 HydrophobicContact CB-CG2 3.98Å; I7-V139 HydrophobicContact CG2-CG2 3.46Å; I7-V139 VanDerWaalsContact CG2-CG2 3.46Å
8E80.5Confident80.4Confident62 Ų6277.1 Ų77.129%0.2939%0.386SS..Hα-helixtrans-56.3-51.3177.8-74.1172.2170.100110.9R4 L12 T13 V139R4-E8 IonicContact CZ-OE1 3.93Å; R4-E8 IonicContact NE-OE1 3.13Å; R4-E8 PolarHBondContact NE-OE1 3.02Å; R4-E8 IonicContact NH1-OE1 3.41Å; R4-E8 PolarHBondContact NH1-OE1 3.24Å; R4-E8 IonicContact NH2-OE1 2.94Å; R4-E8 PolarHBondContact NH2-OE1 3.44Å; R4-E8 VanDerWaalsContact NH2-OE1 3.14Å; R4-E8 WeakPolarHBondContact O-CB 3.49Å; R4-E8 WeakPolarHBondContact O-CG 3.47Å; R4-E8 PolarHBondContact O-N 3.46Å; E8-L12 PolarHBondContact O-N 3.47Å; E8-T13 WeakPolarHBondContact O-CG2 3.39Å; E8-V139 HydrophobicContact CG-CG1 3.66Å; E8-V139 WeakPolarHBondContact OE1-CG1 3.47Å
9A78.7Confident80.6Confident52 Ų5277.9 Ų77.943%0.4339%0.391SS..Hα-helixtrans-66.5-41-176.900000113.2K5 I7 T13K5-A9 VanDerWaalsContact O-CB 3.29Å; K5-A9 WeakPolarHBondContact O-CB 3.42Å; K5-A9 PolarHBondContact O-N 3.05Å; K5-A9 VanDerWaalsContact O-N 3.11Å; I7-A9 PolarHBondContact O-N 2.96Å; A9-T13 PolarHBondContact O-OG1 3.15Å
10N79.9Confident80.7Confident102 Ų10278.5 Ų78.555%0.54540%0.4SS..Hα-helixtrans-89.5-35.8-169.8-66.4-31.8000113.8S6 I7S6-N10 VanDerWaalsContact O-CB 3.23Å; S6-N10 WeakPolarHBondContact O-CB 3.16Å; S6-N10 VanDerWaalsContact O-CG 3.28Å; S6-N10 PolarHBondContact O-N 3.44Å; S6-N10 VanDerWaalsContact O-N 3.11Å; S6-N10 PolarHBondContact O-ND2 3.5Å; I7-N10 PolarHBondContact O-N 3.48Å
11F81.6Confident80.9Confident122 Ų12277.1 Ų77.154%0.53539%0.391SS..Hα-helixtrans-117.5-18.2-168.3-58.6-83.8000114.6I7 L135I7-F11 HydrophobicContact CG2-CD2 4.41Å; I7-F11 PolarHBondContact O-N 2.89Å; F11-L135 HydrophobicContact CB-CD1 3.86Å; F11-L135 HydrophobicContact CG-CD1 4.37Å
12L83.7Confident81.8Confident20 Ų2078.8 Ų78.811%0.10540%0.395CS..SBendtrans-110.77-175.4-62.4178000113.9I7 E8 P20 Y21 A132 L135 A136 V139I7-L12 HydrophobicContact CG2-CD1 4.45Å; E8-L12 PolarHBondContact O-N 3.47Å; L12-P20 CarbonylContact O-C 3.54Å; L12-P20 WeakPolarHBondContact O-CA 3.17Å; L12-Y21 VanDerWaalsContact C-CD2 3.45Å; L12-Y21 WeakPolarHBondContact O-CD2 3.3Å; L12-Y21 PolarHBondContact O-N 2.94Å; L12-A132 VanDerWaalsContact CD2-O 3.27Å; L12-A132 WeakPolarHBondContact CD2-O 3.35Å; L12-L135 HydrophobicContact CD2-CB 3.82Å; L12-L135 HydrophobicContact CG-CB 4.5Å; L12-A136 HydrophobicContact CD1-CB 4.25Å; L12-A136 HydrophobicContact CD2-CB 4.09Å; L12-V139 HydrophobicContact CD1-CB 4.13Å; L12-V139 HydrophobicContact CD1-CG1 4.39Å; L12-V139 HydrophobicContact CD1-CG2 3.86Å
13T86.1Confident82.4Confident31 Ų3178 Ų7819%0.1939%0.391CS..BIsolated β-bridgetrans-105130.9179.755.20000112.6E8 A9 Y21E8-T13 WeakPolarHBondContact O-CG2 3.39Å; A9-T13 PolarHBondContact O-OG1 3.15Å; T13-Y21 WeakPolarHBondContact O-CE2 3.28Å; T13-Y21 PolarHBondContact O-OH 3.38Å
14C89.1Confident82.9Confident0 Ų073 Ų730%037%0.366CS..  trans-71.1129.4174.1-1790000111.4H16 C17 H18 L19 Y21 C34C14-H16 PolarHBondContact O-N 3.24Å; C14-H16 PolarHBondContact SG-N 3.43Å; C14-C17 VanDerWaalsContact CB-SG 3.58Å; C14-H18 WeakPolarHBondContact O-CA 3.33Å; C14-H18 PolarHBondContact O-N 2.91Å; C14-L19 PolarHBondContact N-O 3.24Å; C14-Y21 HydrophobicContact CB-CD1 3.64Å; C14-Y21 HydrophobicContact CB-CE1 3.6Å; C14-Y21 HydrophobicContact CB-CG 4.45Å; C14-C34 VanDerWaalsContact CB-SG 3.51Å
15K85.6Confident83.4Confident103 Ų10372.1 Ų72.145%0.44836%0.363SS..THydrogen-bonded Turntrans-74.6-5.2179.3-55.8-55.2-177.6-163.90114.8F33 I111K15-F33 HydrophobicContact CB-CE1 4.3Å; K15-I111 HydrophobicContact CB-CD1 4.06Å; K15-I111 HydrophobicContact CG-CD1 3.96Å
16H85.1Confident83.9Confident69 Ų6966.5 Ų66.532%0.31934%0.343SS..THydrogen-bonded Turntrans-96.2-49.2175.4-169.265.9000112.6C14 F33 C37C14-H16 PolarHBondContact O-N 3.24Å; C14-H16 PolarHBondContact SG-N 3.43Å; H16-F33 HydrophobicContact CB-CD1 3.91Å; H16-F33 HydrophobicContact CB-CE1 4.33Å; H16-C37 HydrophobicContact CB-CB 4.03Å
17C88.7Confident84.2Confident46 Ų4664.2 Ų64.231%0.31133%0.326SS..THydrogen-bonded Turntrans-99.4-7179.764.30000114.5C14 L19 C37C14-C17 VanDerWaalsContact CB-SG 3.58Å; C17-L19 PolarHBondContact O-N 3.18Å; C17-L19 VanDerWaalsContact O-N 3.09Å; C17-C37 VanDerWaalsContact SG-SG 3.66Å
18H85.3Confident84.4Confident145 Ų14568 Ų6867%0.67135%0.35SS*.  trans59.415.5-177.3-53.7-68.4000115.2C14C14-H18 WeakPolarHBondContact O-CA 3.33Å; C14-H18 PolarHBondContact O-N 2.91Å
19L84.9Confident84.8Confident93 Ų9365.9 Ų65.949%0.48734%0.342SS..SBendtrans-102.7162.9175.9-63.9174.1000110.7C14 C17 Y21C14-L19 PolarHBondContact N-O 3.24Å; C17-L19 PolarHBondContact O-N 3.18Å; C17-L19 VanDerWaalsContact O-N 3.09Å; L19-Y21 PolarHBondContact O-N 3.01Å
20P82.2Confident85.1Confident89 Ų8970.6 Ų70.658%0.57836%0.359SS*.BIsolated β-bridgetrans-50.4138.4169.4-25.634000111.3L12 K22L12-P20 CarbonylContact O-C 3.54Å; L12-P20 WeakPolarHBondContact O-CA 3.17Å; P20-K22 PolarHBondContact O-N 3.31Å
21Y85.3Confident85.4Confident50 Ų5068.3 Ų68.320%0.19635%0.345CS..PPolyproline II helixtrans-53.9126.3-177.6-79-66.1000112L12 T13 C14 L19 P24 S32L12-Y21 VanDerWaalsContact C-CD2 3.45Å; L12-Y21 WeakPolarHBondContact O-CD2 3.3Å; L12-Y21 PolarHBondContact O-N 2.94Å; T13-Y21 WeakPolarHBondContact O-CE2 3.28Å; T13-Y21 PolarHBondContact O-OH 3.38Å; C14-Y21 HydrophobicContact CB-CD1 3.64Å; C14-Y21 HydrophobicContact CB-CE1 3.6Å; C14-Y21 HydrophobicContact CB-CG 4.45Å; L19-Y21 PolarHBondContact O-N 3.01Å; Y21-P24 HydrophobicContact CD1-CB 3.89Å; Y21-P24 HydrophobicContact CG-CB 3.95Å; Y21-S32 WeakPolarHBondContact CE1-O 3.29Å; Y21-S32 PolarHBondContact OH-O 3.33Å
22K82.1Confident85.6Confident141 Ų14162.9 Ų62.961%0.61332%0.322SS*.SBendtrans-107.6108.3169.5-65.9-176.6-178.9179.30108.3P20 C34 Q35P20-K22 PolarHBondContact O-N 3.31Å; K22-C34 HydrophobicContact CB-CB 4.44Å; K22-C34 PolarHBondContact N-SG 3.42Å; K22-C34 VanDerWaalsContact O-CA 3.3Å; K22-C34 WeakPolarHBondContact O-CA 3.38Å; K22-C34 VanDerWaalsContact O-CB 3.32Å; K22-C34 WeakPolarHBondContact O-CB 3.46Å; K22-Q35 PolarHBondContact O-N 2.84Å
23Q82.6Confident85.9Confident137 Ų13762 Ų6264%0.6432%0.318SS*.SBendtrans50.368.5-175.8-66.4176.7-29.200111.8K25 Q35Q23-K25 PolarHBondContact O-N 3.39Å; Q23-Q35 HydrophobicContact CB-CB 4.17Å; Q23-Q35 PolarHBondContact O-N 3.4Å; Q23-Q35 VanDerWaalsContact O-N 3.1Å
24P85.7Confident86.1Confident5 Ų560.6 Ų60.63%0.03231%0.309CS..EExtended strand (participates in β ladder)trans-64.8124.5-176.226.1-31.9000111.3Y21 F33 A128 D129 A132Y21-P24 HydrophobicContact CD1-CB 3.89Å; Y21-P24 HydrophobicContact CG-CB 3.95Å; P24-F33 CarbonylContact C-O 3.58Å; P24-F33 WeakPolarHBondContact CA-O 3.33Å; P24-A128 WeakPolarHBondContact O-CA 3.4Å; P24-D129 HydrophobicContact CB-CB 3.96Å; P24-D129 HydrophobicContact CG-CB 4.09Å; P24-D129 PolarHBondContact O-N 3.2Å; P24-A132 HydrophobicContact CB-CB 4.47Å; P24-A132 HydrophobicContact CG-CB 3.97Å
25K86.5Confident86Confident26 Ų2662.2 Ų62.211%0.11332%0.317CS..EExtended strand (participates in β ladder)trans-107.2129.1174.1-66.2-56.8-158.5171.60109.4Q23 S32 F33 Q35 L38 V123 T124 L126 P127Q23-K25 PolarHBondContact O-N 3.39Å; K25-S32 WeakPolarHBondContact O-CA 3.27Å; K25-F33 PolarHBondContact N-O 3.4Å; K25-F33 PolarHBondContact O-N 2.91Å; K25-F33 VanDerWaalsContact O-N 3.12Å; K25-Q35 HydrophobicContact CG-CB 4.17Å; K25-L38 HydrophobicContact CB-CD1 3.61Å; K25-L38 HydrophobicContact CG-CD1 4.42Å; K25-V123 WeakPolarHBondContact CE-O 3.43Å; K25-V123 HydrophobicContact CG-CG1 4.35Å; K25-T124 WeakPolarHBondContact CE-O 3.42Å; K25-T124 PolarHBondContact NZ-O 2.83Å; K25-L126 HydrophobicContact CB-CB 4.19Å; K25-L126 HydrophobicContact CD-CB 4.28Å; K25-L126 WeakPolarHBondContact CD-O 3.36Å; K25-L126 HydrophobicContact CG-CB 4.48Å; K25-L126 PolarHBondContact NZ-O 3.15Å; K25-P127 WeakPolarHBondContact CA-O 3.41Å
26A87.7Confident86.2Confident18 Ų1859.9 Ų59.915%0.14931%0.313CS..EExtended strand (participates in β ladder)trans-89.8127.3179.300000110.6P127A26-P127 PolarHBondContact N-O 2.61Å
27L86.8Confident86.5Confident5 Ų556.7 Ų56.73%0.02630%0.299CS..  trans-78.6169170-64179.4000110.8C29 L30 H31 F33 L38 I107 C109 T116 L126L27-C29 PolarHBondContact O-N 3.46Å; L27-L30 PolarHBondContact O-N 3.26Å; L27-H31 PolarHBondContact N-O 3.45Å; L27-F33 HydrophobicContact CD1-CD2 3.96Å; L27-F33 HydrophobicContact CD1-CE2 3.82Å; L27-F33 HydrophobicContact CG-CD2 4.39Å; L27-L38 HydrophobicContact CD1-CD2 4.41Å; L27-L38 HydrophobicContact CD2-CD1 4.26Å; L27-L38 HydrophobicContact CD2-CD2 4.2Å; L27-I107 HydrophobicContact CD1-CG2 4.42Å; L27-I107 HydrophobicContact CD2-CB 4.48Å; L27-I107 HydrophobicContact CD2-CD1 4.36Å; L27-I107 HydrophobicContact CD2-CG2 4.11Å; L27-C109 HydrophobicContact CD1-CB 3.66Å; L27-T116 HydrophobicContact CD2-CG2 3.9Å; L27-L126 HydrophobicContact CD2-CD1 4.15Å
28V84.5Confident86.5Confident112 Ų11254.5 Ų54.568%0.67928%0.284SS*.THydrogen-bonded Turntrans-61.4-20.6179.1-142.10000112.7L30 T116V28-L30 VanDerWaalsContact C-N 3.26Å; V28-L30 PolarHBondContact O-N 3.48Å; V28-T116 HydrophobicContact CG2-CG2 3.45Å; V28-T116 VanDerWaalsContact CG2-CG2 3.45Å; V28-T116 WeakPolarHBondContact CG2-OG1 3.36Å; V28-T116 PolarHBondContact N-OG1 3.12Å
29C88.7Confident86.6Confident18 Ų1851.1 Ų51.112%0.12227%0.269CS..THydrogen-bonded Turntrans-82.86.2174.360.70000114.7L27 H31 C109 C112 K114L27-C29 PolarHBondContact O-N 3.46Å; C29-H31 PolarHBondContact O-N 3.2Å; C29-H31 PolarHBondContact SG-ND1 3.19Å; C29-H31 VanDerWaalsContact SG-ND1 3.39Å; C29-C109 WeakPolarHBondContact SG-CB 3.24Å; C29-C109 PolarHBondContact SG-SG 3.4Å; C29-C112 WeakPolarHBondContact CB-SG 3.43Å; C29-K114 HydrophobicContact CB-CB 3.93Å; C29-K114 HydrophobicContact CB-CD 3.73Å; C29-K114 HydrophobicContact CB-CG 4.37Å
30L84.4Confident86.7Confident150 Ų15050.7 Ų50.779%0.78527%0.267SS*.SBendtrans6412.6-176.9-56.5171.2000114.9L27 V28L27-L30 PolarHBondContact O-N 3.26Å; V28-L30 VanDerWaalsContact C-N 3.26Å; V28-L30 PolarHBondContact O-N 3.48Å
31H86.3Confident87Confident55 Ų5547.6 Ų47.626%0.25525%0.245SC..  trans-84.8129.7169.5-67.9116.7000110.8L27 C29 F33 C109 I111L27-H31 PolarHBondContact N-O 3.45Å; C29-H31 PolarHBondContact O-N 3.2Å; C29-H31 PolarHBondContact SG-ND1 3.19Å; C29-H31 VanDerWaalsContact SG-ND1 3.39Å; H31-F33 HydrophobicContact CB-CE2 3.74Å; H31-F33 HydrophobicContact CB-CZ 4.33Å; H31-C109 PolarHBondContact ND1-SG 3.31Å; H31-C109 VanDerWaalsContact ND1-SG 3.42Å; H31-I111 HydrophobicContact CB-CD1 3.99Å; H31-I111 WeakPolarHBondContact NE2-CG2 3.41Å
32S87.2Confident87Confident7 Ų746.4 Ų46.45%0.04924%0.242CC..EExtended strand (participates in β ladder)trans-100.3138.1-179.2-58.70000111.6Y21 K25 D129Y21-S32 WeakPolarHBondContact CE1-O 3.29Å; Y21-S32 PolarHBondContact OH-O 3.33Å; K25-S32 WeakPolarHBondContact O-CA 3.27Å; S32-D129 WeakPolarHBondContact CB-OD2 3.45Å; S32-D129 WeakPolarHBondContact OG-CB 3.28Å; S32-D129 VanDerWaalsContact OG-CG 3.31Å; S32-D129 PolarHBondContact OG-OD2 3.23Å
33F89.1Confident87.1Confident1 Ų143.1 Ų43.10%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-136.5157.4175.9-63-86.2000109.8K15 H16 P24 K25 L27 H31 L38 P110 I111K15-F33 HydrophobicContact CB-CE1 4.3Å; H16-F33 HydrophobicContact CB-CD1 3.91Å; H16-F33 HydrophobicContact CB-CE1 4.33Å; P24-F33 CarbonylContact C-O 3.58Å; P24-F33 WeakPolarHBondContact CA-O 3.33Å; K25-F33 PolarHBondContact N-O 3.4Å; K25-F33 PolarHBondContact O-N 2.91Å; K25-F33 VanDerWaalsContact O-N 3.12Å; L27-F33 HydrophobicContact CD1-CD2 3.96Å; L27-F33 HydrophobicContact CD1-CE2 3.82Å; L27-F33 HydrophobicContact CG-CD2 4.39Å; H31-F33 HydrophobicContact CB-CE2 3.74Å; H31-F33 HydrophobicContact CB-CZ 4.33Å; F33-L38 HydrophobicContact CB-CD1 4.37Å; F33-L38 HydrophobicContact CB-CD2 3.74Å; F33-L38 HydrophobicContact CB-CG 3.79Å; F33-L38 HydrophobicContact CD2-CD2 3.98Å; F33-L38 HydrophobicContact CG-CD2 4.05Å; F33-P110 HydrophobicContact CE1-CB 4.28Å; F33-P110 HydrophobicContact CE1-CG 3.96Å; F33-P110 HydrophobicContact CZ-CB 4.14Å; F33-P110 HydrophobicContact CZ-CG 3.86Å; F33-I111 HydrophobicContact CE1-CD1 4.14Å; F33-I111 HydrophobicContact CE1-CG1 4.46Å; F33-I111 HydrophobicContact CE2-CD1 4.35Å; F33-I111 HydrophobicContact CZ-CD1 3.55Å; F33-I111 HydrophobicContact CZ-CG1 3.84Å
34C89.8Confident87.2Confident2 Ų242.6 Ų42.61%0.01423%0.232CC..EExtended strand (participates in β ladder)trans-61.5143.9171.8-56.10000109.7C14 K22 S36 C37 L38C14-C34 VanDerWaalsContact CB-SG 3.51Å; K22-C34 HydrophobicContact CB-CB 4.44Å; K22-C34 PolarHBondContact N-SG 3.42Å; K22-C34 VanDerWaalsContact O-CA 3.3Å; K22-C34 WeakPolarHBondContact O-CA 3.38Å; K22-C34 VanDerWaalsContact O-CB 3.32Å; K22-C34 WeakPolarHBondContact O-CB 3.46Å; C34-S36 VanDerWaalsContact C-N 3.27Å; C34-S36 PolarHBondContact O-N 3.45Å; C34-C37 HydrophobicContact CB-CB 4.03Å; C34-C37 WeakPolarHBondContact O-CA 3.21Å; C34-C37 WeakPolarHBondContact O-CB 3.47Å; C34-C37 PolarHBondContact O-N 2.82Å; C34-L38 PolarHBondContact O-N 3.31Å
35Q88.4Confident87.1Confident34 Ų3445.5 Ų45.516%0.15924%0.243CC..Hα-helixtrans-51.4-48.1175.3-179-176.5-40.900111.6K22 Q23 K25 C37 L38 E39 V123K22-Q35 PolarHBondContact O-N 2.84Å; Q23-Q35 HydrophobicContact CB-CB 4.17Å; Q23-Q35 PolarHBondContact O-N 3.4Å; Q23-Q35 VanDerWaalsContact O-N 3.1Å; K25-Q35 HydrophobicContact CG-CB 4.17Å; Q35-C37 VanDerWaalsContact C-N 3.29Å; Q35-C37 PolarHBondContact O-N 3.17Å; Q35-L38 PolarHBondContact O-N 3.2Å; Q35-L38 VanDerWaalsContact O-N 3.15Å; Q35-E39 WeakPolarHBondContact CG-OE1 3.42Å; Q35-E39 PolarHBondContact NE2-OE1 3.44Å; Q35-E39 WeakPolarHBondContact O-CG 3.43Å; Q35-E39 PolarHBondContact O-N 3.15Å; Q35-V123 HydrophobicContact CG-CG1 3.97Å
36S89.2Confident86.9Confident54 Ų5448.1 Ų48.138%0.37825%0.254SS..Hα-helixtrans-60.9-37.3177.665.10000112.6C34 L38 E39 D40C34-S36 VanDerWaalsContact C-N 3.27Å; C34-S36 PolarHBondContact O-N 3.45Å; S36-L38 VanDerWaalsContact C-N 3.34Å; S36-L38 PolarHBondContact O-N 3.07Å; S36-E39 PolarHBondContact O-N 2.94Å; S36-D40 WeakPolarHBondContact O-CB 3.35Å; S36-D40 PolarHBondContact O-N 3.41Å
37C91.2Very high86.6Confident3 Ų349.7 Ų49.72%0.0227%0.267CS..Hα-helixtrans-66.7-36.6177.6-67.60000111.9H16 C17 C34 Q35 I41H16-C37 HydrophobicContact CB-CB 4.03Å; C17-C37 VanDerWaalsContact SG-SG 3.66Å; C34-C37 HydrophobicContact CB-CB 4.03Å; C34-C37 WeakPolarHBondContact O-CA 3.21Å; C34-C37 WeakPolarHBondContact O-CB 3.47Å; C34-C37 PolarHBondContact O-N 2.82Å; Q35-C37 VanDerWaalsContact C-N 3.29Å; Q35-C37 PolarHBondContact O-N 3.17Å; C37-I41 VanDerWaalsContact O-CD1 3.32Å; C37-I41 WeakPolarHBondContact O-CD1 3.42Å; C37-I41 WeakPolarHBondContact O-CG1 3.48Å; C37-I41 PolarHBondContact O-N 3.45Å
38L87.9Confident86.3Confident0 Ų054 Ų540%029%0.29CS..Hα-helixtrans-70.5-39.1174.3-68.1179.8000111.5K25 L27 F33 C34 Q35 S36 D40 I41 I42 I107 V123 L126K25-L38 HydrophobicContact CB-CD1 3.61Å; K25-L38 HydrophobicContact CG-CD1 4.42Å; L27-L38 HydrophobicContact CD1-CD2 4.41Å; L27-L38 HydrophobicContact CD2-CD1 4.26Å; L27-L38 HydrophobicContact CD2-CD2 4.2Å; F33-L38 HydrophobicContact CB-CD1 4.37Å; F33-L38 HydrophobicContact CB-CD2 3.74Å; F33-L38 HydrophobicContact CB-CG 3.79Å; F33-L38 HydrophobicContact CD2-CD2 3.98Å; F33-L38 HydrophobicContact CG-CD2 4.05Å; C34-L38 PolarHBondContact O-N 3.31Å; Q35-L38 PolarHBondContact O-N 3.2Å; Q35-L38 VanDerWaalsContact O-N 3.15Å; S36-L38 VanDerWaalsContact C-N 3.34Å; S36-L38 PolarHBondContact O-N 3.07Å; L38-D40 VanDerWaalsContact C-N 3.34Å; L38-I41 HydrophobicContact CD2-CD1 4.37Å; L38-I41 PolarHBondContact O-N 3.37Å; L38-I42 WeakPolarHBondContact O-CG1 3.34Å; L38-I42 PolarHBondContact O-N 3.09Å; L38-I107 HydrophobicContact CD2-CG2 4.28Å; L38-V123 HydrophobicContact CB-CG1 3.55Å; L38-V123 HydrophobicContact CB-CG2 4.24Å; L38-V123 HydrophobicContact CD1-CG1 3.84Å; L38-V123 HydrophobicContact CG-CG1 4.34Å; L38-L126 HydrophobicContact CD1-CD1 3.95Å
39E88.5Confident86.1Confident74 Ų7453 Ų5335%0.34628%0.278SS..Hα-helixtrans-61.3-41.7173.4-70.4166.9-177.600111.6Q35 S36 I42 S43 V123Q35-E39 WeakPolarHBondContact CG-OE1 3.42Å; Q35-E39 PolarHBondContact NE2-OE1 3.44Å; Q35-E39 WeakPolarHBondContact O-CG 3.43Å; Q35-E39 PolarHBondContact O-N 3.15Å; S36-E39 PolarHBondContact O-N 2.94Å; E39-I42 PolarHBondContact O-N 3.29Å; E39-S43 WeakPolarHBondContact O-CB 3.34Å; E39-S43 PolarHBondContact O-N 3.08Å; E39-S43 PolarHBondContact O-OG 2.95Å; E39-V123 HydrophobicContact CG-CB 4.04Å; E39-V123 HydrophobicContact CG-CG1 4.39Å; E39-V123 HydrophobicContact CG-CG2 3.89Å
40D87.5Confident85.7Confident83 Ų8357.8 Ų57.844%0.44430%0.299SS..Hα-helixtrans-63.1-40.8174.8-70-25.5000111.7S36 L38 S43 K44S36-D40 WeakPolarHBondContact O-CB 3.35Å; S36-D40 PolarHBondContact O-N 3.41Å; L38-D40 VanDerWaalsContact C-N 3.34Å; D40-S43 PolarHBondContact O-N 3.03Å; D40-K44 WeakPolarHBondContact O-CB 3.38Å; D40-K44 WeakPolarHBondContact O-CG 3.25Å; D40-K44 PolarHBondContact O-N 3.18Å
41I87Confident85.5Confident25 Ų2553.2 Ų53.213%0.12828%0.282CS..Hα-helixtrans-64.5-42.5177.4-71162.2000110.9C37 L38 R45 P110C37-I41 VanDerWaalsContact O-CD1 3.32Å; C37-I41 WeakPolarHBondContact O-CD1 3.42Å; C37-I41 WeakPolarHBondContact O-CG1 3.48Å; C37-I41 PolarHBondContact O-N 3.45Å; L38-I41 HydrophobicContact CD2-CD1 4.37Å; L38-I41 PolarHBondContact O-N 3.37Å; I41-R45 PolarHBondContact O-N 3.47Å; I41-R45 VanDerWaalsContact O-N 3.14Å; I41-P110 HydrophobicContact CD1-CG 3.79Å
42I85.4Confident85.3Confident25 Ų2557.1 Ų57.113%0.12830%0.298CS..Hα-helixtrans-65.8-45.9176.4-66.2170.7000110.7L38 E39 K44 R45 K46 I107 V118 V123L38-I42 WeakPolarHBondContact O-CG1 3.34Å; L38-I42 PolarHBondContact O-N 3.09Å; E39-I42 PolarHBondContact O-N 3.29Å; I42-K44 VanDerWaalsContact C-N 3.33Å; I42-K44 PolarHBondContact O-N 3.22Å; I42-R45 PolarHBondContact O-N 3.05Å; I42-R45 VanDerWaalsContact O-N 3.16Å; I42-K46 HydrophobicContact CG2-CD 4.19Å; I42-K46 HydrophobicContact CG2-CG 4.45Å; I42-K46 PolarHBondContact O-N 3.06Å; I42-I107 HydrophobicContact CD1-CD1 3.76Å; I42-I107 HydrophobicContact CD1-CG1 3.77Å; I42-I107 HydrophobicContact CG1-CD1 4.13Å; I42-I107 HydrophobicContact CG1-CG1 3.66Å; I42-V118 HydrophobicContact CD1-CG2 4.19Å; I42-V123 HydrophobicContact CD1-CG2 3.27Å
43S84.6Confident85Confident72 Ų7262.4 Ų62.450%0.50332%0.322SS..Hα-helixtrans-62.3-41.7-177.6-58.40000111.4E39 D40 K46 A47E39-S43 WeakPolarHBondContact O-CB 3.34Å; E39-S43 PolarHBondContact O-N 3.08Å; E39-S43 PolarHBondContact O-OG 2.95Å; D40-S43 PolarHBondContact O-N 3.03Å; S43-K46 PolarHBondContact O-N 3.44Å; S43-A47 WeakPolarHBondContact O-CB 3.45Å; S43-A47 PolarHBondContact O-N 2.95Å
44K84.9Confident84.5Confident126 Ų12666.5 Ų66.555%0.54834%0.344SS..Hα-helixtrans-62.3-42.8173.6-76.5175.4-179174.40112.1D40 I42 A47 D48D40-K44 WeakPolarHBondContact O-CB 3.38Å; D40-K44 WeakPolarHBondContact O-CG 3.25Å; D40-K44 PolarHBondContact O-N 3.18Å; I42-K44 VanDerWaalsContact C-N 3.33Å; I42-K44 PolarHBondContact O-N 3.22Å; K44-A47 PolarHBondContact O-N 3.47Å; K44-D48 WeakPolarHBondContact O-CB 3.43Å; K44-D48 PolarHBondContact O-N 3.02Å
45R84.3Confident84Confident66 Ų6672.2 Ų72.225%0.24937%0.37CS..Hα-helixtrans-62.1-45.8177.1-176.1-171.9-71-159.9-1.1111.8I41 I42 A47 D48 E49 V106 T108I41-R45 PolarHBondContact O-N 3.47Å; I41-R45 VanDerWaalsContact O-N 3.14Å; I42-R45 PolarHBondContact O-N 3.05Å; I42-R45 VanDerWaalsContact O-N 3.16Å; R45-A47 VanDerWaalsContact C-N 3.33Å; R45-A47 PolarHBondContact O-N 3.06Å; R45-D48 PolarHBondContact O-N 3.07Å; R45-E49 WeakPolarHBondContact CD-OE1 3.25Å; R45-E49 HydrophobicContact CG-CG 4.47Å; R45-E49 WeakPolarHBondContact CG-OE1 3.49Å; R45-E49 WeakPolarHBondContact O-CG 3.49Å; R45-E49 PolarHBondContact O-N 3.34Å; R45-V106 PolarHBondContact NH1-O 2.9Å; R45-T108 VanDerWaalsContact NH2-CB 3.33Å; R45-T108 VanDerWaalsContact NH2-N 3.17Å; R45-T108 PolarHBondContact NH2-OG1 3.41Å
46K82.2Confident83.6Confident81 Ų8173 Ų7335%0.35238%0.383SS..Hα-helixtrans-61.2-43.6177.6-70.6-175.7-179.8-175.80111.1I42 S43 D48 E49 E50 D105I42-K46 HydrophobicContact CG2-CD 4.19Å; I42-K46 HydrophobicContact CG2-CG 4.45Å; I42-K46 PolarHBondContact O-N 3.06Å; S43-K46 PolarHBondContact O-N 3.44Å; K46-D48 PolarHBondContact O-N 3.09Å; K46-E49 PolarHBondContact O-N 3.44Å; K46-E50 WeakPolarHBondContact O-CB 3.33Å; K46-E50 VanDerWaalsContact O-CG 3.32Å; K46-E50 WeakPolarHBondContact O-CG 3.4Å; K46-E50 PolarHBondContact O-N 3.14Å; K46-D105 WeakPolarHBondContact CE-OD1 3.36Å; K46-D105 WeakPolarHBondContact CE-OD2 3.17Å; K46-D105 VanDerWaalsContact NZ-CG 3.3Å; K46-D105 IonicContact NZ-OD1 3.11Å; K46-D105 PolarHBondContact NZ-OD1 3.37Å; K46-D105 VanDerWaalsContact NZ-OD1 3.11Å; K46-D105 IonicContact NZ-OD2 2.73Å; K46-D105 PolarHBondContact NZ-OD2 3.36Å
47A81Confident83.1Confident51 Ų5176 Ų7642%0.42139%0.394SS..Hα-helixtrans-62.3-39.7174.300000112.6S43 K44 R45 A51S43-A47 WeakPolarHBondContact O-CB 3.45Å; S43-A47 PolarHBondContact O-N 2.95Å; K44-A47 PolarHBondContact O-N 3.47Å; R45-A47 VanDerWaalsContact C-N 3.33Å; R45-A47 PolarHBondContact O-N 3.06Å; A47-A51 WeakPolarHBondContact O-CB 3.37Å; A47-A51 PolarHBondContact O-N 3.41Å
48D81.3Confident82.5Confident94 Ų9482.4 Ų82.450%0.50342%0.421SS..Hα-helixtrans-68.4-36.4176.9-71.7-18.7000112.2K44 R45 K46 K52K44-D48 WeakPolarHBondContact O-CB 3.43Å; K44-D48 PolarHBondContact O-N 3.02Å; R45-D48 PolarHBondContact O-N 3.07Å; K46-D48 PolarHBondContact O-N 3.09Å; D48-K52 WeakPolarHBondContact O-CB 3.24Å; D48-K52 WeakPolarHBondContact O-CD 3.5Å; D48-K52 WeakPolarHBondContact O-CG 3.43Å; D48-K52 PolarHBondContact O-N 3.27Å
49E79.8Confident81.8Confident92 Ų9287.5 Ų87.543%0.4345%0.448SS..Hα-helixtrans-68.6-46.9174.8-75.7173-167.700111.3R45 K46 A51 K52 E53R45-E49 WeakPolarHBondContact CD-OE1 3.25Å; R45-E49 HydrophobicContact CG-CG 4.47Å; R45-E49 WeakPolarHBondContact CG-OE1 3.49Å; R45-E49 WeakPolarHBondContact O-CG 3.49Å; R45-E49 PolarHBondContact O-N 3.34Å; K46-E49 PolarHBondContact O-N 3.44Å; E49-A51 VanDerWaalsContact C-N 3.33Å; E49-A51 PolarHBondContact O-N 2.86Å; E49-K52 PolarHBondContact O-N 2.92Å; E49-E53 PolarHBondContact O-N 2.86Å
50E80.7Confident81Confident119 Ų11989.7 Ų89.756%0.55646%0.461SS*.Hα-helixtrans-61-41.7173.9-72.7173.1-171.200111.4K46 K52 E53 I54K46-E50 WeakPolarHBondContact O-CB 3.33Å; K46-E50 VanDerWaalsContact O-CG 3.32Å; K46-E50 WeakPolarHBondContact O-CG 3.4Å; K46-E50 PolarHBondContact O-N 3.14Å; E50-K52 VanDerWaalsContact C-N 3.35Å; E50-K52 PolarHBondContact O-N 3.02Å; E50-E53 PolarHBondContact O-N 3.44Å; E50-I54 WeakPolarHBondContact O-CB 3.4Å; E50-I54 WeakPolarHBondContact O-CD1 3.34Å; E50-I54 WeakPolarHBondContact O-CG1 3.49Å; E50-I54 PolarHBondContact O-N 2.9Å
51A80.2Confident80Confident53 Ų5395.3 Ų95.344%0.43848%0.477SS..Hα-helixtrans-62.6-40.9175.600000111.8A47 E49 I54 E55A47-A51 WeakPolarHBondContact O-CB 3.37Å; A47-A51 PolarHBondContact O-N 3.41Å; E49-A51 VanDerWaalsContact C-N 3.33Å; E49-A51 PolarHBondContact O-N 2.86Å; A51-I54 PolarHBondContact O-N 3.45Å; A51-E55 WeakPolarHBondContact O-CB 2.92Å; A51-E55 PolarHBondContact O-N 3.32Å
52K81.4Confident78.8Confident137 Ų137102.4 Ų102.460%0.59651%0.507SS*.Hα-helixtrans-66.7-39.7175.2-75.5167.2-172.8170.20112.4D48 E49 E50 E55 A56D48-K52 WeakPolarHBondContact O-CB 3.24Å; D48-K52 WeakPolarHBondContact O-CD 3.5Å; D48-K52 WeakPolarHBondContact O-CG 3.43Å; D48-K52 PolarHBondContact O-N 3.27Å; E49-K52 PolarHBondContact O-N 2.92Å; E50-K52 VanDerWaalsContact C-N 3.35Å; E50-K52 PolarHBondContact O-N 3.02Å; K52-E55 PolarHBondContact O-N 3.43Å; K52-A56 VanDerWaalsContact O-CB 3.31Å; K52-A56 WeakPolarHBondContact O-CB 3.29Å; K52-A56 PolarHBondContact O-N 3.07Å
53E79.9Confident77.6Confident118 Ų118106 Ų10655%0.55154%0.535SS*.Hα-helixtrans-64.4-44174.8-75.3-176.7-179.200111.1E49 E50 E55 A56 L57E49-E53 PolarHBondContact O-N 2.86Å; E50-E53 PolarHBondContact O-N 3.44Å; E53-E55 VanDerWaalsContact C-N 3.35Å; E53-A56 PolarHBondContact O-N 2.99Å; E53-L57 WeakPolarHBondContact O-CB 3.35Å; E53-L57 WeakPolarHBondContact O-CG 3.47Å; E53-L57 PolarHBondContact O-N 3.4Å
54I79.7Confident76.2Confident88 Ų88107 Ų10745%0.45154%0.542SS..Hα-helixtrans-64.3-40.1174.6-67.8165.7000110.8E50 A51 L57 K58E50-I54 WeakPolarHBondContact O-CB 3.4Å; E50-I54 WeakPolarHBondContact O-CD1 3.34Å; E50-I54 WeakPolarHBondContact O-CG1 3.49Å; E50-I54 PolarHBondContact O-N 2.9Å; A51-I54 PolarHBondContact O-N 3.45Å; I54-L57 PolarHBondContact O-N 3.23Å; I54-K58 HydrophobicContact CG2-CD 4.07Å; I54-K58 HydrophobicContact CG2-CG 4.41Å; I54-K58 WeakPolarHBondContact O-CB 3.46Å; I54-K58 VanDerWaalsContact O-CG 3.26Å; I54-K58 WeakPolarHBondContact O-CG 3.33Å; I54-K58 PolarHBondContact O-N 3.45Å
55E78.7Confident74.3Confident122 Ų122108.3 Ų108.357%0.5756%0.555SS**Hα-helixtrans-67.7-40.5177.9-172.2167.3-156.800111.7A51 K52 E53 K58 L59A51-E55 WeakPolarHBondContact O-CB 2.92Å; A51-E55 PolarHBondContact O-N 3.32Å; K52-E55 PolarHBondContact O-N 3.43Å; E53-E55 VanDerWaalsContact C-N 3.35Å; E55-K58 PolarHBondContact O-N 3.48Å; E55-L59 HydrophobicContact CG-CD1 4.43Å; E55-L59 WeakPolarHBondContact O-CB 3.39Å; E55-L59 WeakPolarHBondContact O-CG 3.29Å; E55-L59 PolarHBondContact O-N 2.98Å
56A80.2Confident72Confident51 Ų51110 Ų11042%0.42158%0.577SS.*Hα-helixtrans-62.4-42.7172.700000111.8K52 E53 L59 L60K52-A56 VanDerWaalsContact O-CB 3.31Å; K52-A56 WeakPolarHBondContact O-CB 3.29Å; K52-A56 PolarHBondContact O-N 3.07Å; E53-A56 PolarHBondContact O-N 2.99Å; A56-L59 PolarHBondContact O-N 3.28Å; A56-L60 WeakPolarHBondContact O-CG 3.26Å; A56-L60 PolarHBondContact O-N 2.86Å
57L78.2Confident70Confident116 Ų116112.5 Ų112.561%0.60759%0.594SS**Hα-helixtrans-64.7-40.3173.7-76170.5000112.2E53 I54 L59 L60 Y61E53-L57 WeakPolarHBondContact O-CB 3.35Å; E53-L57 WeakPolarHBondContact O-CG 3.47Å; E53-L57 PolarHBondContact O-N 3.4Å; I54-L57 PolarHBondContact O-N 3.23Å; L57-L59 VanDerWaalsContact C-N 3.34Å; L57-L59 PolarHBondContact O-N 3.41Å; L57-L60 PolarHBondContact O-N 2.95Å; L57-Y61 PolarHBondContact O-N 2.99Å
58K79Confident67.7Low138 Ų138117.8 Ų117.860%0.661%0.61SS**Hα-helixtrans-62.5-40.2174.1-78.7172.7-179.9173.90111.6I54 E55 Y61 K62I54-K58 HydrophobicContact CG2-CD 4.07Å; I54-K58 HydrophobicContact CG2-CG 4.41Å; I54-K58 WeakPolarHBondContact O-CB 3.46Å; I54-K58 VanDerWaalsContact O-CG 3.26Å; I54-K58 WeakPolarHBondContact O-CG 3.33Å; I54-K58 PolarHBondContact O-N 3.45Å; E55-K58 PolarHBondContact O-N 3.48Å; K58-Y61 PolarHBondContact O-N 3.23Å; K58-K62 WeakPolarHBondContact O-CB 3.4Å; K58-K62 PolarHBondContact O-N 2.95Å
59L74Confident65.8Low106 Ų106124 Ų12456%0.55563%0.628SS**Hα-helixtrans-65.8-37.7177.2-75.3167.2000112E55 A56 L57 S63E55-L59 HydrophobicContact CG-CD1 4.43Å; E55-L59 WeakPolarHBondContact O-CB 3.39Å; E55-L59 WeakPolarHBondContact O-CG 3.29Å; E55-L59 PolarHBondContact O-N 2.98Å; A56-L59 PolarHBondContact O-N 3.28Å; L57-L59 VanDerWaalsContact C-N 3.34Å; L57-L59 PolarHBondContact O-N 3.41Å; L59-S63 PolarHBondContact O-N 2.95Å; L59-S63 PolarHBondContact O-OG 3.08Å
60L70.8Confident63.7Low121 Ų121125.1 Ų125.163%0.63465%0.646SS**Hα-helixtrans-65.7-44.4173.2-71.2168.4000111.7A56 L57 S63A56-L60 WeakPolarHBondContact O-CG 3.26Å; A56-L60 PolarHBondContact O-N 2.86Å; L57-L60 PolarHBondContact O-N 2.95Å; L60-S63 PolarHBondContact O-N 3.32Å
61Y66.9Low61.9Low200 Ų200125.3 Ų125.378%0.78466%0.661SS**Hα-helixtrans-70-34180-139.8-93.9000112.8L57 K58 S63 S64L57-Y61 PolarHBondContact O-N 2.99Å; K58-Y61 PolarHBondContact O-N 3.23Å; Y61-S63 PolarHBondContact O-N 3.48Å; Y61-S64 PolarHBondContact O-N 3.19Å
62K62.6Low59.9Low174 Ų174125.6 Ų125.676%0.75767%0.669SS**Hα-helixtrans-73.2-15.4177.8-159.8171.5-173.8-179.30113K58 S64K58-K62 WeakPolarHBondContact O-CB 3.4Å; K58-K62 PolarHBondContact O-N 2.95Å; K62-S64 VanDerWaalsContact C-N 3.31Å
63S59.6Low57.9Low102 Ų102129.1 Ų129.171%0.71368%0.68SS**THydrogen-bonded Turntrans-83-3.3175.7-56.80000113.5L59 L60 Y61L59-S63 PolarHBondContact O-N 2.95Å; L59-S63 PolarHBondContact O-OG 3.08Å; L60-S63 PolarHBondContact O-N 3.32Å; Y61-S63 PolarHBondContact O-N 3.48Å
64S55.3Low56Low93 Ų93133.3 Ų133.365%0.6569%0.69SS**SBendtrans-118.52.3-172.2-58.70000116.4Y61 K62Y61-S64 PolarHBondContact O-N 3.19Å; K62-S64 VanDerWaalsContact C-N 3.31Å
65N43.8Very low54.4Low152 Ų152139.7 Ų139.781%0.81371%0.709SS**SBendtrans-144.7115.2172.5-98.9-26.7000111.9
66S37.7Very low52.7Low101 Ų101141 Ų14171%0.70671%0.713SS**  trans-89.6172.3-166.258.70000114.5
67N38.7Very low50.4Low134 Ų134148.5 Ų148.572%0.71773%0.73SS**  trans97.291.4166.4-57.52000114.2
68E33.8Very low48.8Very low163 Ų163147.5 Ų147.576%0.76273%0.733SS**  68.6110.188.8-80-171.115000112.7
69Y39.9Very low46.9Very low225 Ų225145.3 Ų145.388%0.88274%0.735SS**  -174.7147.3105-111.2-95.3000111.2
70S36Very low45.1Very low114 Ų114151.2 Ų151.280%0.79775%0.75SS**  trans-98.8147.9-158.4171.60000113.9
71S43.2Very low43.3Very low124 Ų124153.8 Ų153.887%0.86776%0.756SS**  trans176.9135.2148.4179.50000107.5
72G38Very low42.1Very low59 Ų59155.1 Ų155.161%0.60876%0.76SS**  cis164.5137.86.700000107.6
73Y40.3Very low40.8Very low210 Ų210158.6 Ų158.682%0.82477%0.77SS**  trans83.3121.9152.5-91.4-104.7000124.1
74R40.6Very low39.6Very low207 Ų207156.4 Ų156.478%0.78176%0.764SS**  trans84.1101.3148.9-76.3170-173.9-1204.9118.8
75R44.7Very low38.5Very low221 Ų221158.4 Ų158.483%0.83477%0.767SS**  65.5132.282.7-77.9-170.9-165.5175.76.3111.6
76K43.6Very low38.4Very low150 Ų150161.5 Ų161.565%0.65277%0.769SS**  cis174.1143.514.4-169.7172.8175.9-175.80103
77W31.8Very low38.5Very low208 Ų208161.7 Ų161.779%0.78877%0.77SS**  166.7109.892.7-82.178.3000104
78S44.1Very low38.3Very low95 Ų95163 Ų16366%0.66478%0.777SS**  55.9137.486.572.30000113.3
79S40.1Very low38.4Very low93 Ų93159.7 Ų159.765%0.6577%0.772SS**  cis-176.1132.421.645.20000106
80R35.4Very low38.2Very low229 Ų229157 Ų15786%0.86477%0.773SS**  69.3137.582.3-150.8176.2170.8102.6-1.6113.4
81F34.4Very low38.6Very low175 Ų175162.7 Ų162.777%0.76878%0.778SS**  trans129.3119.1166.3-73.6-58.9000109.7
82R40.9Very low38.2Very low228 Ų228159.7 Ų159.786%0.8677%0.767SS**  cis-155.115317.2-95.6174.3-119.7-114.60.6110.4
83Y34.8Very low38.1Very low247 Ų247163 Ų16397%0.96978%0.78SS**  trans-111.7157.2175.4-116.8-92.5000109.5
84G34.6Very low37.9Very low57 Ų57157.5 Ų157.559%0.58877%0.773SS**  trans140.4124167.700000109.9
85D33.1Very low37.9Very low134 Ų134158 Ų15872%0.71778%0.775SS**  cis-162.5168.336.4-70.8-41.9000113.5
86Y40.6Very low37.3Very low217 Ų217157.6 Ų157.685%0.85177%0.774SS**  trans70138.3162.7-52.5-73.6000117.3
87S39.6Very low37Very low105 Ų105158 Ų15873%0.73478%0.784SS**  cis-170.2123.3-0.950.10000105.9
88N35.1Very low36.9Very low162 Ų162156.5 Ų156.587%0.86679%0.785SS**  76.5126.5107.5-153.225.2000118.5
89S36.6Very low36.4Very low93 Ų93157.8 Ų157.865%0.6579%0.79SS**  trans74.5102.1159-161.60000120
90L36Very low36Very low170 Ų170159.1 Ų159.189%0.8979%0.793SS**  -160.5124116.3-134.474.1000112.1
91Y44.1Very low36Very low233 Ų233154.1 Ų154.191%0.91479%0.789SS**  trans-88.8123.5172.7-133-99000109.5
92G35.1Very low36.2Very low61 Ų61151.6 Ų151.663%0.62979%0.788SS**  trans33.4137.3141.700000123.9
93S35.1Very low36.5Very low128 Ų128149.7 Ų149.790%0.89579%0.786SS**  trans77.4142.1145.6-68.50000117.1
94S35.7Very low37.6Very low95 Ų95143.6 Ų143.666%0.66477%0.77SS**  cis178.4155.2-3.8171.50000104
95R40.2Very low39.3Very low217 Ų217143.9 Ų143.982%0.81976%0.758SS**  trans108.2116.3164.4-61.6175.2-90.8-169.4-8116.3
96Y32.8Very low41.7Very low212 Ų212139.8 Ų139.883%0.83174%0.737SS**  trans39.9109.4135.8-66.4-86.7000117.5
97N37Very low43.8Very low160 Ų160129.5 Ų129.586%0.85670%0.697SS**  -160.7118.5118.3-90-31.9000110.4
98H29.8Very low46Very low175 Ų175127.1 Ų127.181%0.8168%0.678SS**  trans-82.4107.6175.5-175.7-39.7000108
99T33.6Very low48.4Very low123 Ų123119.4 Ų119.476%0.75564%0.637SS**  trans-135.9120.4166.545.30000110.8
100V32.1Very low50.7Low120 Ų120118.3 Ų118.373%0.72763%0.627SS**  trans-53.8134.9170175.30000110.9
101T34.9Very low53.1Low125 Ų125114 Ų11477%0.76761%0.605SS**  trans173.8114.4145.129.80000112.8
102T37.8Very low55.2Low122 Ų122105.1 Ų105.175%0.74858%0.576SS**  trans38106.9156.261.50000121D104T102-D104 PolarHBondContact O-N 3.42Å
103K47.8Very low57.6Low188 Ų188110.2 Ų110.282%0.81758%0.584SS**  trans-72.5114.6167.4-78.5-176.2174-174.10110.7
104D57.9Low60Low119 Ų119110.4 Ų110.464%0.63657%0.568SS**  trans-81.9123.8169.6-69-35.1000110.6T102 I117T102-D104 PolarHBondContact O-N 3.42Å; D104-I117 HydrophobicContact CB-CG2 4.5Å
105D71.3Confident62.4Low63 Ų63110.5 Ų110.534%0.33756%0.562SS.*  trans-74.2122.8175.9-77.1-28.6000110.1K46 V118K46-D105 WeakPolarHBondContact CE-OD1 3.36Å; K46-D105 WeakPolarHBondContact CE-OD2 3.17Å; K46-D105 VanDerWaalsContact NZ-CG 3.3Å; K46-D105 IonicContact NZ-OD1 3.11Å; K46-D105 PolarHBondContact NZ-OD1 3.37Å; K46-D105 VanDerWaalsContact NZ-OD1 3.11Å; K46-D105 IonicContact NZ-OD2 2.73Å; K46-D105 PolarHBondContact NZ-OD2 3.36Å; D105-V118 HydrophobicContact CB-CB 4.17Å; D105-V118 HydrophobicContact CB-CG2 4.31Å; D105-V118 VanDerWaalsContact O-CB 3.27Å; D105-V118 WeakPolarHBondContact O-CB 2.9Å; D105-V118 VanDerWaalsContact O-CG2 3.3Å; D105-V118 WeakPolarHBondContact O-CG2 2.94Å; D105-V118 PolarHBondContact O-N 2.79Å
106V82.8Confident64.5Low47 Ų47100.3 Ų100.329%0.28552%0.523SS..EExtended strand (participates in β ladder)trans-108.4135.1177.8-179.60000110.3R45 D115R45-V106 PolarHBondContact NH1-O 2.9Å; V106-D115 HydrophobicContact CG1-CB 3.66Å
107I83.9Confident66.9Low2 Ų295.7 Ų95.71%0.0151%0.512CS..EExtended strand (participates in β ladder)trans-106.4123.3172.5-60.7166.9000110.3L27 L38 I42 D115 T116 V118 V123 L126L27-I107 HydrophobicContact CD1-CG2 4.42Å; L27-I107 HydrophobicContact CD2-CB 4.48Å; L27-I107 HydrophobicContact CD2-CD1 4.36Å; L27-I107 HydrophobicContact CD2-CG2 4.11Å; L38-I107 HydrophobicContact CD2-CG2 4.28Å; I42-I107 HydrophobicContact CD1-CD1 3.76Å; I42-I107 HydrophobicContact CD1-CG1 3.77Å; I42-I107 HydrophobicContact CG1-CD1 4.13Å; I42-I107 HydrophobicContact CG1-CG1 3.66Å; I107-D115 CarbonylContact O-C 3.55Å; I107-D115 WeakPolarHBondContact O-CA 3.33Å; I107-T116 PolarHBondContact N-O 3.46Å; I107-T116 PolarHBondContact O-N 3.35Å; I107-V118 HydrophobicContact CB-CG2 4.46Å; I107-V118 HydrophobicContact CD1-CG2 3.39Å; I107-V118 HydrophobicContact CG1-CG2 3.41Å; I107-V118 VanDerWaalsContact CG1-CG2 3.41Å; I107-V123 HydrophobicContact CD1-CG2 4.4Å; I107-L126 HydrophobicContact CD1-CD1 4.02Å
108T85.6Confident68.9Low54 Ų5488.6 Ų88.633%0.33147%0.474SS..EExtended strand (participates in β ladder)trans-82.3125.7166.745.90000110.6R45 P110 D115R45-T108 VanDerWaalsContact NH2-CB 3.33Å; R45-T108 VanDerWaalsContact NH2-N 3.17Å; R45-T108 PolarHBondContact NH2-OG1 3.41Å; T108-P110 WeakPolarHBondContact O-CD 3.32Å; T108-D115 WeakPolarHBondContact CG2-OD1 3.24Å
109C87.1Confident71Confident1 Ų183 Ų831%0.00745%0.453CS..  trans-63.3126.3173178.90000112.2L27 C29 H31 I111 Q113 K114L27-C109 HydrophobicContact CD1-CB 3.66Å; C29-C109 WeakPolarHBondContact SG-CB 3.24Å; C29-C109 PolarHBondContact SG-SG 3.4Å; H31-C109 PolarHBondContact ND1-SG 3.31Å; H31-C109 VanDerWaalsContact ND1-SG 3.42Å; C109-I111 PolarHBondContact O-N 2.92Å; C109-I111 PolarHBondContact SG-N 3.34Å; C109-I111 VanDerWaalsContact SG-N 3.35Å; C109-Q113 WeakPolarHBondContact O-CA 3.06Å; C109-Q113 PolarHBondContact O-N 3.01Å; C109-K114 WeakPolarHBondContact CB-O 3.36Å; C109-K114 PolarHBondContact N-O 3.21Å
110P84.9Confident72.9Confident69 Ų6984.8 Ų84.845%0.44846%0.464SS..THydrogen-bonded Turntrans-61.5-22.7175.4-25.132.9000115.6F33 I41 T108F33-P110 HydrophobicContact CE1-CB 4.28Å; F33-P110 HydrophobicContact CE1-CG 3.96Å; F33-P110 HydrophobicContact CZ-CB 4.14Å; F33-P110 HydrophobicContact CZ-CG 3.86Å; I41-P110 HydrophobicContact CD1-CG 3.79Å; T108-P110 WeakPolarHBondContact O-CD 3.32Å
111I85.2Confident74.8Confident80 Ų8081.2 Ų81.241%0.4145%0.452SS..THydrogen-bonded Turntrans-91.8-41.8-174.2-63.4162.7000111.6K15 H31 F33 C109K15-I111 HydrophobicContact CB-CD1 4.06Å; K15-I111 HydrophobicContact CG-CD1 3.96Å; H31-I111 HydrophobicContact CB-CD1 3.99Å; H31-I111 WeakPolarHBondContact NE2-CG2 3.41Å; F33-I111 HydrophobicContact CE1-CD1 4.14Å; F33-I111 HydrophobicContact CE1-CG1 4.46Å; F33-I111 HydrophobicContact CE2-CD1 4.35Å; F33-I111 HydrophobicContact CZ-CD1 3.55Å; F33-I111 HydrophobicContact CZ-CG1 3.84Å; C109-I111 PolarHBondContact O-N 2.92Å; C109-I111 PolarHBondContact SG-N 3.34Å; C109-I111 VanDerWaalsContact SG-N 3.35Å
112C88.2Confident76.9Confident47 Ų4776.7 Ų76.732%0.31843%0.43SS..THydrogen-bonded Turntrans-128.77.3-173.675.10000114.6C29 K114C29-C112 WeakPolarHBondContact CB-SG 3.43Å; C112-K114 PolarHBondContact O-N 3.2Å
113Q85.1Confident79Confident168 Ų16871.2 Ų71.279%0.78540%0.396SS*.  trans59.711.1176.4-55.6177.45.600115.7C109C109-Q113 WeakPolarHBondContact O-CA 3.06Å; C109-Q113 PolarHBondContact O-N 3.01Å
114K86.8Confident80.5Confident131 Ų13166 Ų6657%0.5738%0.38SS*.  trans-74.5134.3176.7-75.2179.7177.7178.20110.6C29 C109 C112C29-K114 HydrophobicContact CB-CB 3.93Å; C29-K114 HydrophobicContact CB-CD 3.73Å; C29-K114 HydrophobicContact CB-CG 4.37Å; C109-K114 WeakPolarHBondContact CB-O 3.36Å; C109-K114 PolarHBondContact N-O 3.21Å; C112-K114 PolarHBondContact O-N 3.2Å
115D86.6Confident81.5Confident98 Ų9862.7 Ų62.752%0.52437%0.366SS..EExtended strand (participates in β ladder)trans-78.8138.1178.6-71.6-20.7000111.9V106 I107 T108V106-D115 HydrophobicContact CG1-CB 3.66Å; I107-D115 CarbonylContact O-C 3.55Å; I107-D115 WeakPolarHBondContact O-CA 3.33Å; T108-D115 WeakPolarHBondContact CG2-OD1 3.24Å
116T84Confident82Confident3 Ų360.1 Ų60.12%0.01835%0.353CS..EExtended strand (participates in β ladder)trans-126.3115177.8-54.10000107.7L27 V28 I107 V118 L126L27-T116 HydrophobicContact CD2-CG2 3.9Å; V28-T116 HydrophobicContact CG2-CG2 3.45Å; V28-T116 VanDerWaalsContact CG2-CG2 3.45Å; V28-T116 WeakPolarHBondContact CG2-OG1 3.36Å; V28-T116 PolarHBondContact N-OG1 3.12Å; I107-T116 PolarHBondContact N-O 3.46Å; I107-T116 PolarHBondContact O-N 3.35Å; T116-V118 PolarHBondContact O-N 2.88Å; T116-L126 HydrophobicContact CG2-CD2 3.87Å
117I81.6Confident81.9Confident115 Ų11562.1 Ų62.159%0.5937%0.367SS*.EExtended strand (participates in β ladder)trans-70125.3175.2-56.7170000107.7D104D104-I117 HydrophobicContact CB-CG2 4.5Å
118V78.8Confident81.9Confident10 Ų1064.7 Ų64.76%0.06139%0.388CS..PPolyproline II helixtrans-78.4123.3177.7-173.70000108I42 D105 I107 T116 G122I42-V118 HydrophobicContact CD1-CG2 4.19Å; D105-V118 HydrophobicContact CB-CB 4.17Å; D105-V118 HydrophobicContact CB-CG2 4.31Å; D105-V118 VanDerWaalsContact O-CB 3.27Å; D105-V118 WeakPolarHBondContact O-CB 2.9Å; D105-V118 VanDerWaalsContact O-CG2 3.3Å; D105-V118 WeakPolarHBondContact O-CG2 2.94Å; D105-V118 PolarHBondContact O-N 2.79Å; I107-V118 HydrophobicContact CB-CG2 4.46Å; I107-V118 HydrophobicContact CD1-CG2 3.39Å; I107-V118 HydrophobicContact CG1-CG2 3.41Å; I107-V118 VanDerWaalsContact CG1-CG2 3.41Å; T116-V118 PolarHBondContact O-N 2.88Å; V118-G122 VanDerWaalsContact CG1-CA 3.45Å
119P75.8Confident81.7Confident58 Ų5863.8 Ų63.838%0.37738%0.381SS..PPolyproline II helixtrans-64.1163.6176.8-9.321.8000110.7G121 G122 S125P119-G121 PolarHBondContact O-N 3.36Å; P119-G122 PolarHBondContact O-N 2.84Å; P119-S125 WeakPolarHBondContact CB-OG 3.24Å; P119-S125 WeakPolarHBondContact CD-OG 3.46Å; P119-S125 WeakPolarHBondContact CG-OG 3.34Å
120T71.9Confident81.3Confident160 Ų16070.4 Ų70.498%0.98241%0.412SS*.THydrogen-bonded Turntrans-54.4-19.2-175.2-32.70000114.2G122T120-G122 VanDerWaalsContact C-N 3.33Å
121G72.1Confident81.2Confident46 Ų4672.4 Ų72.447%0.47442%0.418SS..THydrogen-bonded Turntrans-85.411.317400000115.6P119 T124P119-G121 PolarHBondContact O-N 3.36Å; G121-T124 PolarHBondContact O-OG1 2.77Å
122G80.1Confident80.9Confident29 Ų2968.7 Ų68.730%0.29940%0.4SS..G310 helixtrans69-164.7-178.900000113V118 P119 T120 T124 S125V118-G122 VanDerWaalsContact CG1-CA 3.45Å; P119-G122 PolarHBondContact O-N 2.84Å; T120-G122 VanDerWaalsContact C-N 3.33Å; G122-T124 PolarHBondContact O-N 3.49Å; G122-T124 VanDerWaalsContact O-N 3.08Å; G122-S125 PolarHBondContact O-N 3.2Å; G122-S125 PolarHBondContact O-OG 2.95Å
123V81.8Confident80.5Confident7 Ų770.7 Ų70.74%0.04241%0.408CS..G310 helixtrans-56-29.7-179.6-176.90000112.5K25 Q35 L38 E39 I42 I107 S125 L126K25-V123 WeakPolarHBondContact CE-O 3.43Å; K25-V123 HydrophobicContact CG-CG1 4.35Å; Q35-V123 HydrophobicContact CG-CG1 3.97Å; L38-V123 HydrophobicContact CB-CG1 3.55Å; L38-V123 HydrophobicContact CB-CG2 4.24Å; L38-V123 HydrophobicContact CD1-CG1 3.84Å; L38-V123 HydrophobicContact CG-CG1 4.34Å; E39-V123 HydrophobicContact CG-CB 4.04Å; E39-V123 HydrophobicContact CG-CG1 4.39Å; E39-V123 HydrophobicContact CG-CG2 3.89Å; I42-V123 HydrophobicContact CD1-CG2 3.27Å; I107-V123 HydrophobicContact CD1-CG2 4.4Å; V123-S125 PolarHBondContact O-N 3.15Å; V123-L126 HydrophobicContact CG1-CD1 4.25Å; V123-L126 WeakPolarHBondContact O-CB 3.19Å; V123-L126 PolarHBondContact O-N 3.07Å; V123-L126 VanDerWaalsContact O-N 3.16Å
124T80Confident80.3Confident79 Ų7968.5 Ų68.549%0.48540%0.395SS..G310 helixtrans-60-27.6178.274.30000113.1K25 G121 G122K25-T124 WeakPolarHBondContact CE-O 3.42Å; K25-T124 PolarHBondContact NZ-O 2.83Å; G121-T124 PolarHBondContact O-OG1 2.77Å; G122-T124 PolarHBondContact O-N 3.49Å; G122-T124 VanDerWaalsContact O-N 3.08Å
125S77.2Confident80.1Confident49 Ų4963.8 Ų63.834%0.34338%0.376SS..G310 helixtrans-86.4-3.1-17866.30000114.4P119 G122 V123P119-S125 WeakPolarHBondContact CB-OG 3.24Å; P119-S125 WeakPolarHBondContact CD-OG 3.46Å; P119-S125 WeakPolarHBondContact CG-OG 3.34Å; G122-S125 PolarHBondContact O-N 3.2Å; G122-S125 PolarHBondContact O-OG 2.95Å; V123-S125 PolarHBondContact O-N 3.15Å
126L82.3Confident79.7Confident10 Ų1060.5 Ų60.55%0.05236%0.363CS..SBendtrans-71147.1171.7-68.1170.5000111.2K25 L27 L38 I107 T116 V123 A128K25-L126 HydrophobicContact CB-CB 4.19Å; K25-L126 HydrophobicContact CD-CB 4.28Å; K25-L126 WeakPolarHBondContact CD-O 3.36Å; K25-L126 HydrophobicContact CG-CB 4.48Å; K25-L126 PolarHBondContact NZ-O 3.15Å; L27-L126 HydrophobicContact CD2-CD1 4.15Å; L38-L126 HydrophobicContact CD1-CD1 3.95Å; I107-L126 HydrophobicContact CD1-CD1 4.02Å; T116-L126 HydrophobicContact CG2-CD2 3.87Å; V123-L126 HydrophobicContact CG1-CD1 4.25Å; V123-L126 WeakPolarHBondContact O-CB 3.19Å; V123-L126 PolarHBondContact O-N 3.07Å; V123-L126 VanDerWaalsContact O-N 3.16Å; L126-A128 PolarHBondContact O-N 3.39Å
127P81.6Confident79.6Confident89 Ų8962.7 Ų62.758%0.57838%0.378SS*.PPolyproline II helixtrans-56135.3176.6-23.933.7000112K25 A26K25-P127 WeakPolarHBondContact CA-O 3.41Å; A26-P127 PolarHBondContact N-O 2.61Å
128A82.5Confident79.5Confident56 Ų5660.5 Ų60.546%0.46337%0.366SS..BIsolated β-bridgetrans-77.1144.7172.200000110.9P24 L126 Q130P24-A128 WeakPolarHBondContact O-CA 3.4Å; L126-A128 PolarHBondContact O-N 3.39Å; A128-Q130 PolarHBondContact O-N 3.43Å; A128-Q130 VanDerWaalsContact O-N 3.09Å
129D81.8Confident79.6Confident34 Ų3460.2 Ų60.218%0.18237%0.365CS..  trans-80.189.2177.6-170.6-10.8000111.7P24 S32 L131 A132 D133P24-D129 HydrophobicContact CB-CB 3.96Å; P24-D129 HydrophobicContact CG-CB 4.09Å; P24-D129 PolarHBondContact O-N 3.2Å; S32-D129 WeakPolarHBondContact CB-OD2 3.45Å; S32-D129 WeakPolarHBondContact OG-CB 3.28Å; S32-D129 VanDerWaalsContact OG-CG 3.31Å; S32-D129 PolarHBondContact OG-OD2 3.23Å; D129-L131 PolarHBondContact O-N 2.94Å; D129-L131 VanDerWaalsContact O-N 3.17Å; D129-L131 WeakPolarHBondContact OD1-CB 3.27Å; D129-L131 PolarHBondContact OD1-N 2.99Å; D129-A132 HydrophobicContact CB-CB 4.09Å; D129-A132 PolarHBondContact O-N 3.27Å; D129-A132 PolarHBondContact OD1-N 2.88Å; D129-D133 PolarHBondContact O-N 2.98Å
130Q79.5Confident79.6Confident140 Ų14063.4 Ų63.465%0.65438%0.378SS*.Hα-helixtrans-61.4-21.6178.5-62.5-175-2.200113.5A128 K134A128-Q130 PolarHBondContact O-N 3.43Å; A128-Q130 VanDerWaalsContact O-N 3.09Å; Q130-K134 WeakPolarHBondContact O-CB 3.24Å; Q130-K134 VanDerWaalsContact O-CG 3.25Å; Q130-K134 WeakPolarHBondContact O-CG 3.45Å; Q130-K134 PolarHBondContact O-N 3.42Å; Q130-K134 VanDerWaalsContact O-N 3.16Å
131L82.1Confident79.8Confident111 Ų11164.3 Ų64.358%0.58136%0.364SS*.Hα-helixtrans-75.9-44.6178.6-178.469.7000110.4D129 D133 K134 L135D129-L131 PolarHBondContact O-N 2.94Å; D129-L131 VanDerWaalsContact O-N 3.17Å; D129-L131 WeakPolarHBondContact OD1-CB 3.27Å; D129-L131 PolarHBondContact OD1-N 2.99Å; L131-D133 VanDerWaalsContact C-N 3.29Å; L131-D133 PolarHBondContact O-N 3.44Å; L131-K134 PolarHBondContact O-N 3.12Å; L131-L135 HydrophobicContact CD1-CG 4.48Å; L131-L135 HydrophobicContact CG-CD1 4.03Å; L131-L135 HydrophobicContact CG-CG 4.4Å; L131-L135 WeakPolarHBondContact O-CB 3.4Å; L131-L135 WeakPolarHBondContact O-CG 3.32Å; L131-L135 PolarHBondContact O-N 3.01Å
132A80.1Confident80Confident3 Ų363.9 Ų63.93%0.02535%0.35CS..Hα-helixtrans-57.9-43.4175.500000111.3L12 P24 D129 L135 A136L12-A132 VanDerWaalsContact CD2-O 3.27Å; L12-A132 WeakPolarHBondContact CD2-O 3.35Å; P24-A132 HydrophobicContact CB-CB 4.47Å; P24-A132 HydrophobicContact CG-CB 3.97Å; D129-A132 HydrophobicContact CB-CB 4.09Å; D129-A132 PolarHBondContact O-N 3.27Å; D129-A132 PolarHBondContact OD1-N 2.88Å; A132-L135 PolarHBondContact O-N 3.34Å; A132-A136 WeakPolarHBondContact O-CB 3.38Å; A132-A136 PolarHBondContact O-N 3.33Å
133D78Confident79.8Confident89 Ų8963.4 Ų63.448%0.47634%0.342SS..Hα-helixtrans-64.8-41.6176.9-72.6-20.3000112.4D129 L131 A136 S137D129-D133 PolarHBondContact O-N 2.98Å; L131-D133 VanDerWaalsContact C-N 3.29Å; L131-D133 PolarHBondContact O-N 3.44Å; D133-A136 PolarHBondContact O-N 3Å; D133-S137 WeakPolarHBondContact O-CB 3.34Å; D133-S137 PolarHBondContact O-N 2.76Å
134K82.1Confident79.7Confident121 Ų12167.6 Ų67.653%0.52636%0.364SS..Hα-helixtrans-63.7-45.8175.1-77173.7-175.8179.60111.5Q130 L131 S137 M138Q130-K134 WeakPolarHBondContact O-CB 3.24Å; Q130-K134 VanDerWaalsContact O-CG 3.25Å; Q130-K134 WeakPolarHBondContact O-CG 3.45Å; Q130-K134 PolarHBondContact O-N 3.42Å; Q130-K134 VanDerWaalsContact O-N 3.16Å; L131-K134 PolarHBondContact O-N 3.12Å; K134-S137 PolarHBondContact O-N 3.11Å; K134-S137 PolarHBondContact O-OG 2.78Å; K134-M138 WeakPolarHBondContact O-CG 3.29Å; K134-M138 PolarHBondContact O-N 3.41Å
135L81.8Confident79.9Confident32 Ų3267.5 Ų67.517%0.16836%0.357CS..Hα-helixtrans-61.9-43176.9-72.8172.2000111.3F11 L12 L131 A132 S137 M138 V139F11-L135 HydrophobicContact CB-CD1 3.86Å; F11-L135 HydrophobicContact CG-CD1 4.37Å; L12-L135 HydrophobicContact CD2-CB 3.82Å; L12-L135 HydrophobicContact CG-CB 4.5Å; L131-L135 HydrophobicContact CD1-CG 4.48Å; L131-L135 HydrophobicContact CG-CD1 4.03Å; L131-L135 HydrophobicContact CG-CG 4.4Å; L131-L135 WeakPolarHBondContact O-CB 3.4Å; L131-L135 WeakPolarHBondContact O-CG 3.32Å; L131-L135 PolarHBondContact O-N 3.01Å; A132-L135 PolarHBondContact O-N 3.34Å; L135-S137 PolarHBondContact O-N 3.49Å; L135-M138 HydrophobicContact CD2-CE 3.7Å; L135-M138 HydrophobicContact CG-CE 4.38Å; L135-M138 PolarHBondContact O-N 2.65Å; L135-V139 WeakPolarHBondContact O-CB 3.24Å; L135-V139 WeakPolarHBondContact O-CG2 3.24Å; L135-V139 PolarHBondContact O-N 3.39Å
136A79.7Confident80.3Confident30 Ų3066.6 Ų66.625%0.24835%0.35CS..Hα-helixtrans-59.2-47.2174.800000111.1L12 A132 D133 M138 V139 D140L12-A136 HydrophobicContact CD1-CB 4.25Å; L12-A136 HydrophobicContact CD2-CB 4.09Å; A132-A136 WeakPolarHBondContact O-CB 3.38Å; A132-A136 PolarHBondContact O-N 3.33Å; D133-A136 PolarHBondContact O-N 3Å; A136-M138 VanDerWaalsContact C-N 3.26Å; A136-M138 PolarHBondContact O-N 2.82Å; A136-V139 PolarHBondContact O-N 2.81Å; A136-V139 VanDerWaalsContact O-N 3.17Å; A136-D140 WeakPolarHBondContact O-CB 3.46Å; A136-D140 VanDerWaalsContact O-CG 3.3Å; A136-D140 PolarHBondContact O-N 3.3Å
137S80.6Confident80.6Confident48 Ų4867 Ų6734%0.33635%0.353SS..Hα-helixtrans-62.5-31.1177.779.20000113.7D133 K134 L135 R141D133-S137 WeakPolarHBondContact O-CB 3.34Å; D133-S137 PolarHBondContact O-N 2.76Å; K134-S137 PolarHBondContact O-N 3.11Å; K134-S137 PolarHBondContact O-OG 2.78Å; L135-S137 PolarHBondContact O-N 3.49Å; S137-R141 WeakPolarHBondContact O-CG 3.42Å
138M80.7Confident81.1Confident70 Ų7062.8 Ų62.835%0.34533%0.325SS..Hα-helixtrans-76.2-40.1175.3-73.4-171.5-7000111.8K134 L135 A136 D140 R141 M142 L157K134-M138 WeakPolarHBondContact O-CG 3.29Å; K134-M138 PolarHBondContact O-N 3.41Å; L135-M138 HydrophobicContact CD2-CE 3.7Å; L135-M138 HydrophobicContact CG-CE 4.38Å; L135-M138 PolarHBondContact O-N 2.65Å; A136-M138 VanDerWaalsContact C-N 3.26Å; A136-M138 PolarHBondContact O-N 2.82Å; M138-D140 VanDerWaalsContact C-N 3.33Å; M138-R141 PolarHBondContact O-N 3.43Å; M138-M142 PolarHBondContact O-N 3.28Å; M138-L157 HydrophobicContact CG-CD2 4.47Å; M138-L157 HydrophobicContact SD-CD2 4.17Å
139V79.1Confident81.4Confident4 Ų462.8 Ų62.82%0.02432%0.318CS..Hα-helixtrans-64.6-37.9175.9165.20000111.6R4 I7 E8 L12 L135 A136 R141 M142R4-V139 HydrophobicContact CG-CG1 4.14Å; I7-V139 HydrophobicContact CB-CG2 3.98Å; I7-V139 HydrophobicContact CG2-CG2 3.46Å; I7-V139 VanDerWaalsContact CG2-CG2 3.46Å; E8-V139 HydrophobicContact CG-CG1 3.66Å; E8-V139 WeakPolarHBondContact OE1-CG1 3.47Å; L12-V139 HydrophobicContact CD1-CB 4.13Å; L12-V139 HydrophobicContact CD1-CG1 4.39Å; L12-V139 HydrophobicContact CD1-CG2 3.86Å; L135-V139 WeakPolarHBondContact O-CB 3.24Å; L135-V139 WeakPolarHBondContact O-CG2 3.24Å; L135-V139 PolarHBondContact O-N 3.39Å; A136-V139 PolarHBondContact O-N 2.81Å; A136-V139 VanDerWaalsContact O-N 3.17Å; V139-R141 PolarHBondContact O-N 3.18Å; V139-M142 WeakPolarHBondContact O-CB 3.49Å; V139-M142 PolarHBondContact O-N 2.76Å
140D77Confident81.6Confident124 Ų12464.4 Ų64.466%0.66333%0.329SS*.Hα-helixtrans-65.7-25.1176.5-73.5-22.8000112.9A136 M138A136-D140 WeakPolarHBondContact O-CB 3.46Å; A136-D140 VanDerWaalsContact O-CG 3.3Å; A136-D140 PolarHBondContact O-N 3.3Å; M138-D140 VanDerWaalsContact C-N 3.33Å
141R76.8Confident81.8Confident179 Ų17959.9 Ų59.968%0.67531%0.312SS*.Hα-helixtrans-81.8-16.5173.7-66.9171-172.5-176.72.6112.8S137 M138 V139S137-R141 WeakPolarHBondContact O-CG 3.42Å; M138-R141 PolarHBondContact O-N 3.43Å; V139-R141 PolarHBondContact O-N 3.18Å
142M75.7Confident81.3Confident37 Ų3756.8 Ų56.818%0.18230%0.298CS..SBendtrans-78.1129.5177.4-71.8-169.5167.200110.6I3 R4 M138 V139 N144I3-M142 HydrophobicContact CG2-CE 4.1Å; I3-M142 HydrophobicContact CG2-SD 4.48Å; R4-M142 HydrophobicContact CB-SD 4.32Å; M138-M142 PolarHBondContact O-N 3.28Å; V139-M142 WeakPolarHBondContact O-CB 3.49Å; V139-M142 PolarHBondContact O-N 2.76Å; M142-N144 PolarHBondContact O-OD1 3.5Å
143P76.4Confident80.2Confident20 Ų2065.6 Ų65.613%0.1334%0.335CS..  trans-67.1141.5179.624.8-31.9000112.5F145 V147 L156 P257P143-F145 VanDerWaalsContact C-N 3.26Å; P143-F145 HydrophobicContact CB-CD1 4.3Å; P143-F145 HydrophobicContact CB-CD2 4.23Å; P143-F145 HydrophobicContact CB-CE1 3.93Å; P143-F145 HydrophobicContact CB-CE2 3.87Å; P143-F145 HydrophobicContact CB-CG 4.46Å; P143-F145 HydrophobicContact CB-CZ 3.71Å; P143-F145 PolarHBondContact O-N 2.92Å; P143-V147 HydrophobicContact CB-CG2 3.91Å; P143-V147 HydrophobicContact CG-CG2 3.24Å; P143-L156 HydrophobicContact CG-CD1 4.25Å; P143-P257 HydrophobicContact CB-CG 3.99Å; P143-P257 HydrophobicContact CG-CB 4.16Å; P143-P257 HydrophobicContact CG-CG 3.89Å
144N79.3Confident79Confident94 Ų9469.1 Ų69.150%0.50335%0.349SS..SBendtrans-85.43.2-177.7-62.18.9000113.5R4 M142R4-N144 PolarHBondContact NE-OD1 2.83Å; R4-N144 PolarHBondContact NH1-ND2 2.74Å; R4-N144 PolarHBondContact NH1-OD1 2.86Å; R4-N144 PolarHBondContact NH2-ND2 3Å; R4-N144 PolarHBondContact NH2-OD1 2.94Å; R4-N144 VanDerWaalsContact NH2-OD1 3.09Å; M142-N144 PolarHBondContact O-OD1 3.5Å
145F83.3Confident77.5Confident77 Ų7767.5 Ų67.534%0.33835%0.351SS..SBendtrans-121.2156-177.649.2-99.5000110.1P143 V147 P257 P259P143-F145 VanDerWaalsContact C-N 3.26Å; P143-F145 HydrophobicContact CB-CD1 4.3Å; P143-F145 HydrophobicContact CB-CD2 4.23Å; P143-F145 HydrophobicContact CB-CE1 3.93Å; P143-F145 HydrophobicContact CB-CE2 3.87Å; P143-F145 HydrophobicContact CB-CG 4.46Å; P143-F145 HydrophobicContact CB-CZ 3.71Å; P143-F145 PolarHBondContact O-N 2.92Å; F145-V147 HydrophobicContact CD2-CG2 4.23Å; F145-V147 HydrophobicContact CE2-CG2 4.14Å; F145-V147 PolarHBondContact O-N 3.47Å; F145-P257 HydrophobicContact CE2-CB 4.45Å; F145-P257 WeakPolarHBondContact CE2-O 3.25Å; F145-P257 HydrophobicContact CZ-CG 4.38Å; F145-P257 WeakPolarHBondContact CZ-O 3.2Å; F145-P259 HydrophobicContact CD2-CB 3.66Å; F145-P259 HydrophobicContact CE2-CB 4.01Å; F145-P259 HydrophobicContact CG-CB 4.13Å
146P85.2Confident76Confident31 Ų3170 Ų7020%0.20136%0.364CS..PPolyproline II helixtrans-60.3126.3170.226.4-33.5000109.1P259 A260 V293P146-P259 CarbonylContact O-C 3.2Å; P146-P259 WeakPolarHBondContact O-CA 3.3Å; P146-A260 HydrophobicContact CB-CB 4.45Å; P146-A260 PolarHBondContact O-N 3Å; P146-V293 HydrophobicContact CB-CG1 3.81Å; P146-V293 HydrophobicContact CG-CG1 3.76Å
147V88.5Confident74.4Confident18 Ų1873.7 Ų73.711%0.10938%0.379CS..BIsolated β-bridgetrans-93.8147.5-175.3-178.30000109.9P143 F145 D149 T152 P257P143-V147 HydrophobicContact CB-CG2 3.91Å; P143-V147 HydrophobicContact CG-CG2 3.24Å; F145-V147 HydrophobicContact CD2-CG2 4.23Å; F145-V147 HydrophobicContact CE2-CG2 4.14Å; F145-V147 PolarHBondContact O-N 3.47Å; V147-D149 PolarHBondContact O-N 3.48Å; V147-T152 HydrophobicContact CG1-CG2 3.15Å; V147-P257 HydrophobicContact CG1-CB 3.61Å; V147-P257 HydrophobicContact CG2-CB 4.04Å
148C92Very high72.4Confident0 Ų075.8 Ų75.80%039%0.39CS..PPolyproline II helixtrans-68.8120.3172.6175.70000111.9V150 C151 T152 R258 R270 C272 C275C148-V150 PolarHBondContact O-N 3.38Å; C148-V150 VanDerWaalsContact O-N 3.13Å; C148-C151 VanDerWaalsContact CB-SG 3.56Å; C148-T152 PolarHBondContact O-N 2.84Å; C148-T152 PolarHBondContact O-OG1 3.04Å; C148-R258 PolarHBondContact N-O 2.85Å; C148-R270 CarbonylContact C-O 3.55Å; C148-R270 WeakPolarHBondContact CA-O 3.5Å; C148-C272 HydrophobicContact CB-CB 3.76Å; C148-C272 PolarHBondContact SG-N 2.75Å; C148-C275 VanDerWaalsContact SG-SG 3.62Å
149D89.2Confident70.3Confident57 Ų5780.3 Ų80.331%0.30542%0.415SS..THydrogen-bonded Turntrans-70.6-10.4-175-55.8-38.9000113.6V147 K269 R270V147-D149 PolarHBondContact O-N 3.48Å; D149-K269 HydrophobicContact CB-CD 4.12Å; D149-K269 WeakPolarHBondContact OD2-CA 3.49Å; D149-R270 PolarHBondContact N-O 2.94Å; D149-R270 IonicContact OD1-CZ 3.4Å; D149-R270 IonicContact OD1-NE 3.3Å; D149-R270 PolarHBondContact OD1-NE 3.3Å; D149-R270 IonicContact OD1-NH2 3.02Å; D149-R270 PolarHBondContact OD1-NH2 3.37Å; D149-R270 PolarHBondContact OD2-N 2.89Å; D149-R270 IonicContact OD2-NE 3.97Å
150V86Confident68.3Low68 Ų6887.1 Ų87.141%0.41245%0.452SS..THydrogen-bonded Turntrans-97.5-44.9-174.71790000112.1C148 L271 C275C148-V150 PolarHBondContact O-N 3.38Å; C148-V150 VanDerWaalsContact O-N 3.13Å; V150-L271 HydrophobicContact CG2-CD2 3.59Å; V150-C275 HydrophobicContact CB-CB 4.33Å
151C84.2Confident66.5Low44 Ų4490 Ų9030%0.29746%0.461SS..THydrogen-bonded Turntrans-87.5-15.1-175.167.50000113.5C148 K153C148-C151 VanDerWaalsContact CB-SG 3.56Å; C151-K153 PolarHBondContact O-N 2.96Å
152T70.8Confident64.6Low47 Ų4789.3 Ų89.329%0.28847%0.469SS..  trans-9388177.160.60000110.4V147 C148 P257V147-T152 HydrophobicContact CG1-CG2 3.15Å; C148-T152 PolarHBondContact O-N 2.84Å; C148-T152 PolarHBondContact O-OG1 3.04Å; T152-P257 HydrophobicContact CG2-CB 3.83Å
153K58.8Low62.5Low188 Ų18895.5 Ų95.582%0.81750%0.504SS*.  trans-102.2-3.1175.4-67.9-168.7177.5-171.60113.8C151C151-K153 PolarHBondContact O-N 2.96Å
154E51.8Low60.4Low162 Ų16298 Ų9876%0.75753%0.533SS*.SBendtrans-86126.5168.3-70.5-161.2161.100109.8L156E154-L156 PolarHBondContact O-N 3.21Å
155P50.2Low58.3Low87 Ų87101.5 Ų101.557%0.56555%0.55SS*.  trans-57.1127.6167.9-1123.4000107.3L157 T158P155-L157 PolarHBondContact O-N 3.35Å; P155-T158 HydrophobicContact CB-CG2 4.31Å; P155-T158 HydrophobicContact CG-CG2 4.09Å
156L51.6Low56Low85 Ų85107 Ų10745%0.44557%0.574SS.*SBendtrans-6210.5175.3-66.5168.1000113.5P143 E154 P257P143-L156 HydrophobicContact CG-CD1 4.25Å; E154-L156 PolarHBondContact O-N 3.21Å; L156-P257 HydrophobicContact CD2-CG 4.41Å
157L45.8Very low53.3Low107 Ų107110.9 Ų110.956%0.5660%0.602SS**  trans-142.987.7-177.6-60.8173000108.1M138 P155M138-L157 HydrophobicContact CG-CD2 4.47Å; M138-L157 HydrophobicContact SD-CD2 4.17Å; P155-L157 PolarHBondContact O-N 3.35Å
158T38.7Very low50.7Low92 Ų92115.3 Ų115.356%0.56463%0.631SS**  trans-130.8122164.346.70000110.1P155 N160P155-T158 HydrophobicContact CB-CG2 4.31Å; P155-T158 HydrophobicContact CG-CG2 4.09Å; T158-N160 PolarHBondContact O-N 2.99Å
159D36Very low47.9Very low165 Ų165124.2 Ų124.288%0.88267%0.672SS**  trans-73.3112.4177.6-74.9-50.2000110.4
160N37.1Very low45.2Very low147 Ų147126.4 Ų126.479%0.78669%0.692SS**  trans-140.176.9164.3-88.8-29.5000108.3T158T158-N160 PolarHBondContact O-N 2.99Å
161H38.2Very low42.5Very low185 Ų185129 Ų12986%0.85671%0.708SS**  trans-173.863.2153-103-69.9000111
162L37.1Very low40.1Very low164 Ų164134.4 Ų134.486%0.85973%0.733SS**SBendtrans-120.8119.9152.3-81.8164000105.8
163N33.1Very low38.1Very low168 Ų168137.2 Ų137.290%0.89876%0.755SS**  trans101.6103.1-178-58.3-22.2000115.6
164G31.3Very low36.9Very low73 Ų73132.5 Ų132.575%0.75375%0.751SS**  trans179.251.317200000111.7K166G164-K166 PolarHBondContact O-N 3.45Å
165I35Very low35.9Very low166 Ų166133.5 Ų133.585%0.85176%0.756SS**  trans-59.6115.1164.6-62.9171.3000107
166K34.9Very low34.9Very low193 Ų193137.9 Ų137.984%0.83977%0.766SS**  trans-175.1137.2136.3-96155.5-169.8-1710110.7G164G164-K166 PolarHBondContact O-N 3.45Å
167S29.4Very low34Very low113 Ų113142.2 Ų142.279%0.7978%0.782SS**  trans-56.9167.1-17713.40000114.8
168P33.9Very low33.1Very low110 Ų110148.9 Ų148.971%0.71480%0.799SS**  trans-97.1-174.7-149.740.2-35.6000113.2
169Q32.3Very low32.8Very low188 Ų188150.4 Ų150.488%0.87981%0.809SS**  trans104.6122.6179.3-59.71717.500109.6
170S33.2Very low32.5Very low103 Ų103151 Ų15172%0.7281%0.806SS**  cis-168.2129.631.243.50000109.8
171T29.5Very low32.2Very low122 Ų122155.3 Ų155.375%0.74881%0.813SS**  49.9124.7125-50000120.6
172L34.2Very low31.9Very low157 Ų157155.7 Ų155.782%0.82281%0.812SS**  151.1101128-77.3163.6000108.3
173S28.8Very low31.6Very low107 Ų107153.8 Ų153.875%0.74881%0.813SS**  85.4141.478.2-68.40000114.3
174A32.6Very low31.5Very low89 Ų89155.3 Ų155.374%0.73681%0.812SS**  trans90.391.2173.500000115.6
175Q30.9Very low31.4Very low182 Ų182158.3 Ų158.385%0.8581%0.81SS**  43.3108.381.5-68.2-175-14.400113.4
176F30.4Very low31.1Very low180 Ų180161.3 Ų161.379%0.78981%0.811SS**  trans-162.5119.2134.9-100.7-64.5000113.4
177K32.5Very low30.9Very low176 Ų176162.2 Ų162.277%0.76581%0.811SS**  trans67.2104.1140-82.3165.8-171.1170.40121.6
178R26.6Very low31.1Very low246 Ų246162 Ų16293%0.92880%0.804SS**  trans-62.2126150-165.8-178.9-161.9-174.54.6111.5
179T32.2Very low31.1Very low125 Ų125162.3 Ų162.377%0.76781%0.809SS**  trans-14497.9157.550.10000108
180Q29.4Very low31.1Very low177 Ų177160.2 Ų160.283%0.82780%0.804SS**  52.2102.2113.5-76.4-170.9-3.400115.2
181Y31.1Very low31.1Very low238 Ų238162 Ų16293%0.93381%0.805SS**  -146.9128.2123.9-114.2-86.8000109
182K31Very low31.3Very low193 Ų193162.5 Ų162.584%0.83980%0.804SS**PPolyproline II helixtrans-69.4126-173.3-68.9169.9173.7175.80110.4
183S32.6Very low31.6Very low124 Ų124162.1 Ų162.187%0.86781%0.808SS**PPolyproline II helixtrans-92123158.4-70.50000109.2
184F29.5Very low31.9Very low200 Ų200164.9 Ų164.988%0.87781%0.813SS**PPolyproline II helixtrans-65.4124.2173.5-107.7-105.2000110.5
185N29.1Very low32.4Very low136 Ų136166.2 Ų166.273%0.72782%0.818SS**PPolyproline II helixtrans-54.8151.9143.9-92.7-21.8000108
186R29.9Very low32.7Very low228 Ų228164.9 Ų164.986%0.8682%0.816SS**  -171.7142.752.8-153.8174.8-79169.8-5.5109.6
187Y31.1Very low32.9Very low212 Ų212163.3 Ų163.383%0.83182%0.816SS**  trans-60.4142.3164.4-109.6-114.5000112.1
188V31.7Very low33.4Very low109 Ų109160.6 Ų160.666%0.66182%0.819SS**  50.1127.4130-178.60000119.3
189S34.9Very low33.9Very low117 Ų117156.8 Ų156.882%0.81882%0.817SS**  -164.3136.9121.3-89.10000111.4
190N32.4Very low34.4Very low143 Ų143155.4 Ų155.477%0.76582%0.818SS**  trans-65.5154.2169.7-57.5-30.2000111.1
191D33.5Very low34.8Very low140 Ų140154 Ų15475%0.74982%0.817SS**  -179.1134.9110.9-114.8-2.2000111.8
192D33.1Very low35.3Very low134 Ų134150.8 Ų150.872%0.71781%0.81SS**  trans33.8122.4137-61.6-14.6000120.4
193T40Very low35.5Very low148 Ų148144.9 Ų144.991%0.90880%0.804SS**  -163.2136.9110.31.80000113.5
194L36.3Very low35.5Very low165 Ų165146.1 Ų146.186%0.86481%0.806SS**  trans-68.9166.4175.5-69.4150.5000113.7
195S42.2Very low35.7Very low118 Ų118141.5 Ų141.583%0.82580%0.799SS**  trans129.3143.1146.463.10000112.5
196D37Very low35.9Very low154 Ų154143.8 Ų143.882%0.82481%0.81SS**  cis-170.8156.6-23.3-151.8-1.8000104.7
197D34.9Very low36.2Very low147 Ų147138.8 Ų138.879%0.78680%0.8SS**  trans-66.2150.8-178.9-69.4-53.6000113.8
198S43.9Very low36.4Very low119 Ų119136.7 Ų136.783%0.83280%0.795SS**  trans-177.6133.2132.234.60000113.6
199D36.9Very low36.6Very low166 Ų166139.2 Ų139.289%0.88880%0.804SS**  trans-66.8150.9174.3-56.2-67.1000113.8
200A41.9Very low36.4Very low95 Ų95137.8 Ų137.879%0.78579%0.794SS**  trans-179.9104.3132.700000111
201D37.4Very low36.7Very low149 Ų149138.1 Ų138.180%0.79779%0.793SS**  37.7156123.8-136.5-3.5000123.2
202E42.4Very low36.9Very low169 Ų169138.7 Ų138.779%0.7979%0.791SS**  trans95.8114.6160.1-64.2-78.4171.100118.7
203G34.6Very low36.9Very low69 Ų69138.7 Ų138.771%0.71179%0.791SS**  11987.8120.100000117.6
204V31.8Very low37Very low151 Ų151137 Ų13792%0.91579%0.785SS**  trans-55.9131162.6178.80000111.6
205S35.1Very low37.3Very low103 Ų103137.2 Ų137.272%0.7278%0.784SS**  trans-176.4114.1137.1-169.80000110.7
206L32.2Very low37.2Very low183 Ų183137.7 Ų137.796%0.95878%0.777SS**  trans-107.496171.9-146.3126.3000106.3
207D36.1Very low37.2Very low123 Ų123136.7 Ų136.766%0.65877%0.772SS**  trans-139.3120.5175.1-130.8-11.7000110.1
208K36.9Very low37.5Very low169 Ų169134.4 Ų134.474%0.73577%0.768SS**  trans77.4130.8133-114171.5-174.2-177.80120.7
209L35.4Very low37.2Very low161 Ų161138.6 Ų138.684%0.84377%0.774SS**  trans96.3141.7151.1-52.2164.1000116
210S30Very low37.1Very low87 Ų87135.1 Ų135.161%0.60877%0.768SS**  cis162.4126.7-12.7175.40000104.3
211M38.7Very low36.8Very low151 Ų151139.4 Ų139.474%0.74478%0.777SS**  trans65.5153.9159.4-49.4-85.296.700115.6
212Q38.3Very low36.7Very low151 Ų151137.6 Ų137.671%0.70678%0.776SS**  cis-167143.622.6-145.31281.400109.4
213D33.6Very low36.4Very low135 Ų135135.1 Ų135.172%0.72277%0.774SS**  trans38129.8141.9-57.8-28.5000123.5
214S41.8Very low36.7Very low112 Ų112141.2 Ų141.278%0.78378%0.784SS**  158.4102.1126.1-67.80000109.7
215M42.9Very low36.7Very low169 Ų169140.5 Ų140.583%0.83378%0.781SS**  70.5130.389.6-69.6-117.3106.300115.8
216D39.8Very low36.8Very low129 Ų129140.6 Ų140.669%0.6979%0.788SS**  trans77.9136160.2-58.1-14000117.9
217N37.2Very low36.8Very low133 Ų133143.5 Ų143.571%0.71179%0.786SS**  cis-166.1141.98.9-125-27.6000110.6
218S40.4Very low36.8Very low99 Ų99143.1 Ų143.169%0.69279%0.793SS**  trans43.6119.3143.754.40000122.3
219E37.8Very low36.7Very low207 Ų207140.2 Ų140.297%0.96779%0.794SS**  -157.9105.5118.3-111.1175.4-179.900110.7
220A34.9Very low36.8Very low93 Ų93139 Ų13977%0.76979%0.794SS**  trans-111.9131.2170.200000107.9
221L36.6Very low37.1Very low184 Ų184142.8 Ų142.896%0.96380%0.802SS**  trans-148.5114.8153.1-100.3157.4000109.6
222S33.9Very low37.1Very low111 Ų111142.6 Ų142.678%0.77680%0.803SS**  trans-79.4168.6-179-90.80000113.5
223P37.1Very low36.8Very low117 Ų117145.7 Ų145.776%0.7681%0.809SS**  trans-89.7140.6-174.534.7-31.2000112.5
224Q40Very low36.9Very low197 Ų197148.9 Ų148.992%0.92182%0.817SS**  trans-146.4135.7163.8-73-165.74.500113.6
225T32.1Very low36.5Very low136 Ų136150.9 Ų150.983%0.83482%0.819SS**  trans-64143.916950.20000113.3
226A36.4Very low36.3Very low106 Ų106153.4 Ų153.488%0.87682%0.819SS**  trans-177138.8138.300000112.8
227R32.4Very low36Very low243 Ų243153.8 Ų153.892%0.91782%0.821SS**  trans-70.2152.1174.2-73.2158.9123.6173.3-2112.6
228S36.4Very low35.9Very low116 Ų116154.3 Ų154.381%0.81182%0.819SS**  trans-172.5102.3140-74.30000107.9
229S36Very low35.6Very low107 Ų107157 Ų15775%0.74882%0.818SS**  68.1106.974.967.70000116.3
230T37.1Very low35.4Very low137 Ų137155.7 Ų155.784%0.8481%0.812SS**  trans-164.9111.8139.827.30000108.8
231H36.3Very low35.3Very low166 Ų166157.7 Ų157.777%0.76981%0.809SS**  75.1117.8109.7-113.8-120.8000113.1
232L37.1Very low35.1Very low147 Ų147161 Ų16177%0.7781%0.809SS**  cis-163.9149.642.8-90159.1000112.1
233Y32.1Very low35.4Very low215 Ų215163.2 Ų163.284%0.84380%0.804SS**  trans-57.7142.7170.2-89.2-110.3000114.9
234K36.2Very low35.2Very low203 Ų203162.6 Ų162.688%0.88380%0.802SS**  -179.4119.9105.8-102.1175.7179.81720112.4
235D33.5Very low34.8Very low153 Ų153161.2 Ų161.282%0.81880%0.8SS**  trans-71.4139.7161.7-161.2-1.2000110.2
236R38.2Very low34.8Very low223 Ų223161.3 Ų161.384%0.84280%0.801SS**  trans173.8126.9150.5-101.7172.2177.9-166.7-1.3113.9
237N34.9Very low34.6Very low137 Ų137161.2 Ų161.273%0.73379%0.794SS**  trans76.5106.5149-61.7-10.3000117.4
238E33.8Very low34.8Very low144 Ų144155.2 Ų155.267%0.67379%0.785SS**  50.4117.983.2-93-150.4140.100115
239K34.2Very low35Very low154 Ų154159.7 Ų159.767%0.6778%0.784SS**  trans77.6131.9149.8-63.7165.4179.4143.40117
240H34.2Very low35.1Very low181 Ų181166 Ų16684%0.83879%0.791SS**  trans78.281.4172.2-65-85000118
241L33.5Very low35.5Very low134 Ų134168.4 Ų168.470%0.70279%0.785SS**  trans-155.679.7131.6-139.163.7000112.4K243L241-K243 HydrophobicContact CD1-CD 4.06Å; L241-K243 HydrophobicContact CD1-CG 4.17Å; L241-K243 HydrophobicContact CD2-CB 4.38Å; L241-K243 HydrophobicContact CD2-CD 3.86Å; L241-K243 HydrophobicContact CD2-CG 4.3Å; L241-K243 HydrophobicContact CG-CB 4.05Å; L241-K243 HydrophobicContact CG-CD 3.91Å; L241-K243 HydrophobicContact CG-CG 3.85Å; L241-K243 PolarHBondContact O-N 2.98Å
242R32.4Very low36Very low255 Ų255165.2 Ų165.296%0.96277%0.773SS**  trans-64.193.3143.8-88.4-175.2173.5-177.9-1.1106.3
243K38.5Very low36.5Very low157 Ų157165.1 Ų165.168%0.68377%0.774SS**  trans-120.7100.6158.6-90.3-177.2-173.8171.40108.1L241L241-K243 HydrophobicContact CD1-CD 4.06Å; L241-K243 HydrophobicContact CD1-CG 4.17Å; L241-K243 HydrophobicContact CD2-CB 4.38Å; L241-K243 HydrophobicContact CD2-CD 3.86Å; L241-K243 HydrophobicContact CD2-CG 4.3Å; L241-K243 HydrophobicContact CG-CB 4.05Å; L241-K243 HydrophobicContact CG-CD 3.91Å; L241-K243 HydrophobicContact CG-CG 3.85Å; L241-K243 PolarHBondContact O-N 2.98Å
244S33.5Very low37.6Very low103 Ų103157.6 Ų157.672%0.7275%0.752SS**  trans52.1100132.5-45.30000116.3
245L32.1Very low38.6Very low168 Ų168154 Ų15488%0.8875%0.753SS**SBendtrans-22.8137134.9-67.4139.1000110.9
246T31.8Very low40.3Very low139 Ų139148.7 Ų148.785%0.85374%0.735SS**  trans96.578.3-177.173.60000115.1
247S33.2Very low42.2Very low103 Ų103140 Ų14072%0.7271%0.707SS**  trans-136106.4149.5-166.90000109.9
248T35.7Very low44.6Very low118 Ų118136.2 Ų136.272%0.72468%0.683SS**  trans60.467.9147.662.70000117R250T248-R250 VanDerWaalsContact C-N 3.28Å; T248-R250 PolarHBondContact O-N 3.18Å
249R40.1Very low47.2Very low209 Ų209132.8 Ų132.879%0.78967%0.673SS**  trans-60.599.6140.3-79.3-176.5178.6-172.42.3106.6R251R249-R251 HydrophobicContact CB-CG 4.25Å; R249-R251 PolarHBondContact O-N 3.33Å
250R38.5Very low50Low241 Ų241125.9 Ų125.991%0.90964%0.644SS**  trans-64.884.2153.6-73.7-156.6-179.7-149.62.6106.2T248 N252T248-R250 VanDerWaalsContact C-N 3.28Å; T248-R250 PolarHBondContact O-N 3.18Å; R250-N252 VanDerWaalsContact C-N 3.27Å; R250-N252 PolarHBondContact O-N 2.97Å
251R46.7Very low52.7Low186 Ų186120.1 Ų120.170%0.70262%0.622SS**  trans-61.9101.4161.6-72.2-169.9-179.9-1552104.3R249 D253R249-R251 HydrophobicContact CB-CG 4.25Å; R249-R251 PolarHBondContact O-N 3.33Å; R251-D253 PolarHBondContact O-N 2.96Å
252N46.6Very low55.6Low99 Ų99114 Ų11453%0.52959%0.59SS.*  trans-70.488.6170.2-148.29.8000105.3R250 S254 R258R250-N252 VanDerWaalsContact C-N 3.27Å; R250-N252 PolarHBondContact O-N 2.97Å; N252-S254 PolarHBondContact O-N 2.91Å; N252-R258 PolarHBondContact O-NH2 2.89Å
253D46.9Very low58.5Low145 Ų145101.8 Ų101.878%0.77554%0.544SS*.  trans-66.271.5171-97.6-12.8000108.4R251R251-D253 PolarHBondContact O-N 2.96Å
254S54.2Low61.1Low57 Ų5794.3 Ų94.340%0.39951%0.512SS..  trans-88.796.2150.857.50000105N252 G256 R258N252-S254 PolarHBondContact O-N 2.91Å; S254-G256 PolarHBondContact O-N 2.66Å; S254-R258 PolarHBondContact OG-NH1 3.28Å; S254-R258 PolarHBondContact OG-NH2 2.89Å
255S59.3Low63.7Low128 Ų12889.6 Ų89.690%0.89548%0.478SS*.  trans-69.248.3-178.457.90000112.7
256G67.5Low66.4Low42 Ų4285.2 Ų85.243%0.43345%0.454SS..SBendtrans-159.4160.8-177.900000112.9S254 R258S254-G256 PolarHBondContact O-N 2.66Å; G256-R258 PolarHBondContact O-N 2.99Å
257P77.7Confident69Low41 Ų4181 Ų8127%0.26643%0.429SS..PPolyproline II helixtrans-61.4126.6178.224.8-32.6000110.8P143 F145 V147 T152 L156P143-P257 HydrophobicContact CB-CG 3.99Å; P143-P257 HydrophobicContact CG-CB 4.16Å; P143-P257 HydrophobicContact CG-CG 3.89Å; F145-P257 HydrophobicContact CE2-CB 4.45Å; F145-P257 WeakPolarHBondContact CE2-O 3.25Å; F145-P257 HydrophobicContact CZ-CG 4.38Å; F145-P257 WeakPolarHBondContact CZ-O 3.2Å; V147-P257 HydrophobicContact CG1-CB 3.61Å; V147-P257 HydrophobicContact CG2-CB 4.04Å; T152-P257 HydrophobicContact CG2-CB 3.83Å; L156-P257 HydrophobicContact CD2-CG 4.41Å
258R85.7Confident71.5Confident56 Ų5677.1 Ų77.121%0.21141%0.405CS..PPolyproline II helixtrans-85138.4177.4-56.4-179.8-147.2-108.5-7.8110.2C148 N252 S254 G256 C272C148-R258 PolarHBondContact N-O 2.85Å; N252-R258 PolarHBondContact O-NH2 2.89Å; S254-R258 PolarHBondContact OG-NH1 3.28Å; S254-R258 PolarHBondContact OG-NH2 2.89Å; G256-R258 PolarHBondContact O-N 2.99Å; R258-C272 HydrophobicContact CB-CB 3.86Å
259P89.4Confident74.1Confident72 Ų7276.4 Ų76.447%0.46839%0.392SS..BIsolated β-bridgetrans-65.9136.9174.527.8-33.7000110.6F145 P146 C272F145-P259 HydrophobicContact CD2-CB 3.66Å; F145-P259 HydrophobicContact CE2-CB 4.01Å; F145-P259 HydrophobicContact CG-CB 4.13Å; P146-P259 CarbonylContact O-C 3.2Å; P146-P259 WeakPolarHBondContact O-CA 3.3Å; P259-C272 WeakPolarHBondContact O-CA 3.41Å; P259-C272 WeakPolarHBondContact O-CB 3.5Å
260A92.1Very high76.6Confident9 Ų970 Ų707%0.07437%0.368CS..PPolyproline II helixtrans-82.8132.9172.700000110.2P146 R270 L271 V293P146-A260 HydrophobicContact CB-CB 4.45Å; P146-A260 PolarHBondContact O-N 3Å; A260-R270 HydrophobicContact CB-CB 3.62Å; A260-L271 CarbonylContact C-O 3.5Å; A260-L271 WeakPolarHBondContact CA-O 3.42Å; A260-V293 HydrophobicContact CB-CG2 3.87Å
261T92Very high79.2Confident60 Ų6058.6 Ų58.637%0.36833%0.325SS..  trans-109.5-29.117950.60000112L271 I273 V293T261-L271 PolarHBondContact N-O 3.16Å; T261-I273 HydrophobicContact CG2-CD1 4.16Å; T261-I273 HydrophobicContact CG2-CG1 3.71Å; T261-I273 WeakPolarHBondContact OG1-CG1 3.5Å; T261-I273 PolarHBondContact OG1-N 3.06Å; T261-V293 VanDerWaalsContact C-CG2 3.49Å; T261-V293 PolarHBondContact O-N 3.05Å
262S93.6Very high81.4Confident5 Ų549.9 Ų49.94%0.03529%0.293CS..EExtended strand (participates in β ladder)trans-126159.1174.955.40000112.3R270 L271 Q276 I291 V293S262-R270 CarbonylContact O-C 3.58Å; S262-R270 WeakPolarHBondContact O-CA 3.38Å; S262-L271 PolarHBondContact N-O 3.23Å; S262-L271 VanDerWaalsContact N-O 3.13Å; S262-L271 PolarHBondContact O-N 3.12Å; S262-Q276 VanDerWaalsContact CB-OE1 3.28Å; S262-Q276 WeakPolarHBondContact OG-CB 3.47Å; S262-Q276 WeakPolarHBondContact OG-CG 3.4Å; S262-Q276 PolarHBondContact OG-OE1 3.29Å; S262-I291 CarbonylContact C-O 3.57Å; S262-I291 WeakPolarHBondContact CA-O 3.21Å; S262-I291 WeakPolarHBondContact CB-O 3.37Å; S262-V293 VanDerWaalsContact O-CG2 3.26Å; S262-V293 WeakPolarHBondContact O-CG2 3.48Å
263A93.5Very high83.7Confident0 Ų049.6 Ų49.60%029%0.29CS..EExtended strand (participates in β ladder)trans-124.1139.7168.800000109.6K269 R270 L290 I291 V293 M296A263-K269 CarbonylContact C-O 3.56Å; A263-K269 WeakPolarHBondContact CA-O 3.46Å; A263-R270 HydrophobicContact CB-CG 4.41Å; A263-L290 WeakPolarHBondContact O-CA 3.32Å; A263-I291 HydrophobicContact CB-CD1 4.41Å; A263-I291 HydrophobicContact CB-CG1 4.07Å; A263-I291 PolarHBondContact N-O 3.49Å; A263-I291 VanDerWaalsContact O-CG1 3.26Å; A263-I291 WeakPolarHBondContact O-CG1 3.39Å; A263-I291 PolarHBondContact O-N 3.32Å; A263-V293 HydrophobicContact CB-CG2 4.43Å; A263-M296 HydrophobicContact CB-CB 4.29Å; A263-M296 HydrophobicContact CB-CG 4.27Å; A263-M296 HydrophobicContact CB-SD 3.63Å
264C92.5Very high85.8Confident0 Ų049.5 Ų49.50%028%0.28CS..EExtended strand (participates in β ladder)trans-90.2121.5173.1177.60000109.5E266 C267 G268 K269 L271 H279 H288 L290C264-E266 VanDerWaalsContact C-N 3.34Å; C264-C267 HydrophobicContact CB-CB 4.15Å; C264-C267 PolarHBondContact SG-N 3Å; C264-G268 VanDerWaalsContact O-CA 3.26Å; C264-G268 WeakPolarHBondContact O-CA 3.4Å; C264-G268 PolarHBondContact O-N 3.26Å; C264-K269 PolarHBondContact N-O 3.3Å; C264-L271 HydrophobicContact CB-CD1 4.36Å; C264-H279 PolarHBondContact SG-NE2 3.3Å; C264-H288 VanDerWaalsContact SG-CB 3.51Å; C264-H288 PolarHBondContact SG-ND1 3.49Å; C264-L290 HydrophobicContact CB-CD2 3.85Å
265L89.7Confident87.7Confident3 Ų347.7 Ų47.72%0.01627%0.267CS..THydrogen-bonded Turntrans-68.1-34.4178.9-72.4-177.2000112.3V289 I291 L299 L308 R310 M353L265-V289 HydrophobicContact CB-CB 4.4Å; L265-V289 HydrophobicContact CD1-CB 4.35Å; L265-V289 HydrophobicContact CD1-CG1 3.94Å; L265-V289 PolarHBondContact N-O 3.06Å; L265-I291 HydrophobicContact CD1-CG2 3.78Å; L265-I291 HydrophobicContact CD2-CD1 3.52Å; L265-I291 HydrophobicContact CD2-CG1 4.07Å; L265-I291 HydrophobicContact CG-CD1 4.05Å; L265-I291 HydrophobicContact CG-CG1 4.08Å; L265-I291 HydrophobicContact CG-CG2 4Å; L265-L299 HydrophobicContact CD1-CD1 3.94Å; L265-L299 HydrophobicContact CD2-CD1 3.81Å; L265-L299 HydrophobicContact CG-CD1 4.47Å; L265-L308 HydrophobicContact CD2-CD1 4.28Å; L265-R310 HydrophobicContact CB-CG 4.47Å; L265-R310 WeakPolarHBondContact O-CD 3.46Å; L265-R310 WeakPolarHBondContact O-CG 3.46Å; L265-R310 PolarHBondContact O-NE 3.43Å; L265-R310 PolarHBondContact O-NH1 2.86Å; L265-M353 HydrophobicContact CD1-CE 3.47Å; L265-M353 VanDerWaalsContact CD1-CE 3.47Å; L265-M353 HydrophobicContact CD1-SD 3.59Å; L265-M353 VanDerWaalsContact CD1-SD 3.59Å
266E87.3Confident89.3Confident77 Ų7744.6 Ų44.636%0.3624%0.239SC..THydrogen-bonded Turntrans-77.5-41.2-177.9-73.2169.8-13000112.3C264 H288 V289 R310C264-E266 VanDerWaalsContact C-N 3.34Å; E266-H288 HydrophobicContact CB-CB 4.16Å; E266-H288 VanDerWaalsContact OE1-CA 3.25Å; E266-H288 WeakPolarHBondContact OE1-CA 3.42Å; E266-H288 IonicContact OE2-CD2 2.99Å; E266-H288 PolarHBondContact OE2-CD2 3.43Å; E266-H288 IonicContact OE2-CG 3.98Å; E266-H288 IonicContact OE2-NE2 3.92Å; E266-H288 PolarHBondContact OE2-NE2 2.91Å; E266-V289 PolarHBondContact OE1-N 3.41Å; E266-V289 VanDerWaalsContact OE1-N 3.09Å; E266-R310 PolarHBondContact O-NH1 3.46Å
267C87.4Confident90.5Very high50 Ų5046.7 Ų46.734%0.33824%0.237SC..THydrogen-bonded Turntrans-84.8-18.8177.3-64.50000114C264 K269 H288C264-C267 HydrophobicContact CB-CB 4.15Å; C264-C267 PolarHBondContact SG-N 3Å; C267-K269 HydrophobicContact CB-CB 4.28Å; C267-K269 HydrophobicContact CB-CG 3.85Å; C267-K269 PolarHBondContact O-N 3.48Å; C267-H288 PolarHBondContact SG-CE1 3.13Å; C267-H288 PolarHBondContact SG-ND1 3.43Å
268G85.5Confident91.2Very high21 Ų2147 Ų4722%0.21624%0.243CC..THydrogen-bonded Turntrans62.927-170.700000113.7C264C264-G268 VanDerWaalsContact O-CA 3.26Å; C264-G268 WeakPolarHBondContact O-CA 3.4Å; C264-G268 PolarHBondContact O-N 3.26Å
269K89.8Confident91.6Very high103 Ų10345 Ų4545%0.44824%0.236SC..EExtended strand (participates in β ladder)trans-109.2139.8-177-59-60.2178.3-173.50111.3D149 A263 C264 C267 L271D149-K269 HydrophobicContact CB-CD 4.12Å; D149-K269 WeakPolarHBondContact OD2-CA 3.49Å; A263-K269 CarbonylContact C-O 3.56Å; A263-K269 WeakPolarHBondContact CA-O 3.46Å; C264-K269 PolarHBondContact N-O 3.3Å; C267-K269 HydrophobicContact CB-CB 4.28Å; C267-K269 HydrophobicContact CB-CG 3.85Å; C267-K269 PolarHBondContact O-N 3.48Å; K269-L271 HydrophobicContact CB-CD2 4.24Å
270R92.7Very high91.7Very high75 Ų7544.1 Ų44.128%0.28323%0.232SC..EExtended strand (participates in β ladder)trans-90.1131.2171.4-62.2171.5-61.3-177.73.2109.7C148 D149 A260 S262 A263 V293 M296C148-R270 CarbonylContact C-O 3.55Å; C148-R270 WeakPolarHBondContact CA-O 3.5Å; D149-R270 PolarHBondContact N-O 2.94Å; D149-R270 IonicContact OD1-CZ 3.4Å; D149-R270 IonicContact OD1-NE 3.3Å; D149-R270 PolarHBondContact OD1-NE 3.3Å; D149-R270 IonicContact OD1-NH2 3.02Å; D149-R270 PolarHBondContact OD1-NH2 3.37Å; D149-R270 PolarHBondContact OD2-N 2.89Å; D149-R270 IonicContact OD2-NE 3.97Å; A260-R270 HydrophobicContact CB-CB 3.62Å; S262-R270 CarbonylContact O-C 3.58Å; S262-R270 WeakPolarHBondContact O-CA 3.38Å; A263-R270 HydrophobicContact CB-CG 4.41Å; R270-V293 HydrophobicContact CG-CG1 4.5Å; R270-M296 HydrophobicContact CG-SD 4.1Å
271L93.2Very high91.7Very high1 Ų152.5 Ų52.51%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-123.3131.6-169.4-54.4176.6000109.5V150 A260 T261 S262 C264 K269 C275 Q276 H279 L290V150-L271 HydrophobicContact CG2-CD2 3.59Å; A260-L271 CarbonylContact C-O 3.5Å; A260-L271 WeakPolarHBondContact CA-O 3.42Å; T261-L271 PolarHBondContact N-O 3.16Å; S262-L271 PolarHBondContact N-O 3.23Å; S262-L271 VanDerWaalsContact N-O 3.13Å; S262-L271 PolarHBondContact O-N 3.12Å; C264-L271 HydrophobicContact CB-CD1 4.36Å; K269-L271 HydrophobicContact CB-CD2 4.24Å; L271-C275 HydrophobicContact CB-CB 4.16Å; L271-C275 HydrophobicContact CD2-CB 4.08Å; L271-Q276 HydrophobicContact CB-CB 4.19Å; L271-H279 HydrophobicContact CD1-CB 3.64Å; L271-L290 HydrophobicContact CD1-CD2 3.97Å
272C93.9Very high91.8Very high4 Ų454.4 Ų54.43%0.02727%0.267CS..  trans-70.9164.6162.868.90000109.4C148 R258 P259 Y274 C275 Q276C148-C272 HydrophobicContact CB-CB 3.76Å; C148-C272 PolarHBondContact SG-N 2.75Å; R258-C272 HydrophobicContact CB-CB 3.86Å; P259-C272 WeakPolarHBondContact O-CA 3.41Å; P259-C272 WeakPolarHBondContact O-CB 3.5Å; C272-Y274 PolarHBondContact O-N 2.85Å; C272-Y274 VanDerWaalsContact O-N 3.09Å; C272-C275 CarbonylContact O-C 3.54Å; C272-C275 PolarHBondContact O-N 3.18Å; C272-C275 VanDerWaalsContact SG-SG 3.65Å; C272-Q276 WeakPolarHBondContact O-CB 3.47Å; C272-Q276 PolarHBondContact O-N 3.37Å
273I93Very high91.7Very high93 Ų9359.7 Ų59.748%0.47730%0.302SS..Hα-helixtrans-46.3-45.5-179.8-59.2173.2000112T261 Q276 E277T261-I273 HydrophobicContact CG2-CD1 4.16Å; T261-I273 HydrophobicContact CG2-CG1 3.71Å; T261-I273 WeakPolarHBondContact OG1-CG1 3.5Å; T261-I273 PolarHBondContact OG1-N 3.06Å; I273-Q276 WeakPolarHBondContact O-CB 3.4Å; I273-Q276 PolarHBondContact O-N 2.77Å; I273-E277 PolarHBondContact O-N 2.93Å
274Y92.1Very high91.6Very high142 Ų14265.6 Ų65.656%0.55734%0.337SS*.Hα-helixtrans-66.2-43.5178.9-58.9-74.6000113.6C272 Q276 E277 A278C272-Y274 PolarHBondContact O-N 2.85Å; C272-Y274 VanDerWaalsContact O-N 3.09Å; Y274-Q276 VanDerWaalsContact C-N 3.31Å; Y274-E277 PolarHBondContact O-N 3.36Å; Y274-A278 PolarHBondContact O-N 3.48Å
275C93.2Very high91.5Very high19 Ų1966.2 Ų66.213%0.12834%0.341CS..Hα-helixtrans-72-29.8178.5-690000111.3C148 V150 L271 C272 A278 H279C148-C275 VanDerWaalsContact SG-SG 3.62Å; V150-C275 HydrophobicContact CB-CB 4.33Å; L271-C275 HydrophobicContact CB-CB 4.16Å; L271-C275 HydrophobicContact CD2-CB 4.08Å; C272-C275 CarbonylContact O-C 3.54Å; C272-C275 PolarHBondContact O-N 3.18Å; C272-C275 VanDerWaalsContact SG-SG 3.65Å; C275-A278 PolarHBondContact O-N 3.21Å; C275-H279 WeakPolarHBondContact O-CB 3.18Å; C275-H279 PolarHBondContact O-N 2.89Å
276Q93.9Very high91.6Very high64 Ų6468.5 Ų68.530%0.29936%0.356SS..Hα-helixtrans-62.8-48.1172.4179-174.4-24.900111.1S262 L271 C272 I273 Y274 H279 S280 L290S262-Q276 VanDerWaalsContact CB-OE1 3.28Å; S262-Q276 WeakPolarHBondContact OG-CB 3.47Å; S262-Q276 WeakPolarHBondContact OG-CG 3.4Å; S262-Q276 PolarHBondContact OG-OE1 3.29Å; L271-Q276 HydrophobicContact CB-CB 4.19Å; C272-Q276 WeakPolarHBondContact O-CB 3.47Å; C272-Q276 PolarHBondContact O-N 3.37Å; I273-Q276 WeakPolarHBondContact O-CB 3.4Å; I273-Q276 PolarHBondContact O-N 2.77Å; Y274-Q276 VanDerWaalsContact C-N 3.31Å; Q276-H279 WeakPolarHBondContact O-CB 3.26Å; Q276-H279 PolarHBondContact O-N 3.35Å; Q276-S280 PolarHBondContact O-N 2.86Å; Q276-S280 PolarHBondContact O-OG 3.15Å; Q276-L290 HydrophobicContact CG-CD1 3.93Å
277E92.7Very high91.5Very high85 Ų8570.4 Ų70.440%0.39737%0.368SS..Hα-helixtrans-64.3-40.3176.3-72.6179.5-158.800112.4I273 Y274 H279 S280 R281I273-E277 PolarHBondContact O-N 2.93Å; Y274-E277 PolarHBondContact O-N 3.36Å; E277-H279 VanDerWaalsContact C-N 3.31Å; E277-S280 PolarHBondContact O-N 2.92Å; E277-S280 PolarHBondContact O-OG 2.96Å; E277-S280 VanDerWaalsContact O-OG 3.06Å; E277-R281 VanDerWaalsContact O-CG 3.26Å; E277-R281 WeakPolarHBondContact O-CG 3.31Å; E277-R281 PolarHBondContact O-N 3.46Å; E277-R281 IonicContact OE2-NH2 2.66Å; E277-R281 PolarHBondContact OE2-NH2 2.92Å
278A92.6Very high91.7Very high49 Ų4969.3 Ų69.341%0.40536%0.358SS..Hα-helixtrans-63.3-41.5174.100000111.1Y274 C275 R281 M282Y274-A278 PolarHBondContact O-N 3.48Å; C275-A278 PolarHBondContact O-N 3.21Å; A278-R281 PolarHBondContact O-N 2.79Å; A278-M282 WeakPolarHBondContact O-CG 3.49Å; A278-M282 PolarHBondContact O-N 3.11Å; A278-M282 VanDerWaalsContact O-N 3.09Å
279H93.4Very high91.9Very high13 Ų1369.5 Ų69.56%0.0636%0.355CS..Hα-helixtrans-63.8-40.8177.8-167.894.4000112.1C264 L271 C275 Q276 E277 R281 T285 H288C264-H279 PolarHBondContact SG-NE2 3.3Å; L271-H279 HydrophobicContact CD1-CB 3.64Å; C275-H279 WeakPolarHBondContact O-CB 3.18Å; C275-H279 PolarHBondContact O-N 2.89Å; Q276-H279 WeakPolarHBondContact O-CB 3.26Å; Q276-H279 PolarHBondContact O-N 3.35Å; E277-H279 VanDerWaalsContact C-N 3.31Å; H279-R281 VanDerWaalsContact C-N 3.29Å; H279-R281 PolarHBondContact O-N 3.33Å; H279-T285 VanDerWaalsContact CE1-CG2 3.43Å; H279-T285 WeakPolarHBondContact CE1-CG2 3.48Å; H279-T285 WeakPolarHBondContact NE2-CB 3.45Å; H279-T285 CarbonylContact O-C 3.27Å; H279-T285 VanDerWaalsContact O-CB 3.27Å; H279-T285 WeakPolarHBondContact O-CB 3.24Å; H279-T285 PolarHBondContact O-OG1 2.93Å; H279-H288 AromaticContact CE1-ND1 3.78Å; H279-H288 AromaticContact NE2-CG 3.81Å; H279-H288 AromaticContact NE2-ND1 3.47Å; H279-H288 PolarHBondContact NE2-ND1 3.34Å
280S92.2Very high92.1Very high54 Ų5467.1 Ų67.138%0.37835%0.347SS..Hα-helixtrans-73.7-18.8177.964.70000113.9Q276 E277 T286Q276-S280 PolarHBondContact O-N 2.86Å; Q276-S280 PolarHBondContact O-OG 3.15Å; E277-S280 PolarHBondContact O-N 2.92Å; E277-S280 PolarHBondContact O-OG 2.96Å; E277-S280 VanDerWaalsContact O-OG 3.06Å; S280-T286 WeakPolarHBondContact O-CG2 3.27Å
281R92.3Very high92.1Very high185 Ų18564.6 Ų64.670%0.69834%0.339SS*.Hα-helixtrans-93.7-24.2179.1-69.9177.3-168.9172.212114.2E277 A278 H279E277-R281 VanDerWaalsContact O-CG 3.26Å; E277-R281 WeakPolarHBondContact O-CG 3.31Å; E277-R281 PolarHBondContact O-N 3.46Å; E277-R281 IonicContact OE2-NH2 2.66Å; E277-R281 PolarHBondContact OE2-NH2 2.92Å; A278-R281 PolarHBondContact O-N 2.79Å; H279-R281 VanDerWaalsContact C-N 3.29Å; H279-R281 PolarHBondContact O-N 3.33Å
282M92.5Very high92.1Very high99 Ų9970.2 Ų70.249%0.48837%0.365SS..SBendtrans-72.5126.8-179.6-79.1-171.6-51.800110.5A278 V284 T285 T286A278-M282 WeakPolarHBondContact O-CG 3.49Å; A278-M282 PolarHBondContact O-N 3.11Å; A278-M282 VanDerWaalsContact O-N 3.09Å; M282-V284 PolarHBondContact O-N 3.41Å; M282-T285 VanDerWaalsContact CB-OG1 3.3Å; M282-T285 WeakPolarHBondContact CB-OG1 3.4Å; M282-T285 HydrophobicContact CE-CG2 4.46Å; M282-T285 CarbonylContact O-C 3.55Å; M282-T285 PolarHBondContact O-N 3.33Å; M282-T285 PolarHBondContact O-OG1 2.95Å; M282-T286 WeakPolarHBondContact O-CG2 3.32Å; M282-T286 PolarHBondContact O-N 3.39Å
283P92.3Very high91.9Very high116 Ų11670.8 Ų70.875%0.75337%0.368SS*.THydrogen-bonded Turntrans-51.7-32.6-174.8-30.635.5000115.8T285 T286P283-T285 VanDerWaalsContact C-N 3.34Å; P283-T286 PolarHBondContact O-OG1 3.3Å
284V91.5Very high91.7Very high124 Ų12472.1 Ų72.175%0.75238%0.376SS*.THydrogen-bonded Turntrans-73.4-29.2-179.7-177.40000111.8M282 H288M282-V284 PolarHBondContact O-N 3.41Å; V284-H288 PolarHBondContact O-NE2 2.9Å
285T91.1Very high91.5Very high13 Ų1368.8 Ų68.88%0.0837%0.366CS..THydrogen-bonded Turntrans-116.4-1.8-170.451.70000113.6H279 M282 P283 N287 H288H279-T285 VanDerWaalsContact CE1-CG2 3.43Å; H279-T285 WeakPolarHBondContact CE1-CG2 3.48Å; H279-T285 WeakPolarHBondContact NE2-CB 3.45Å; H279-T285 CarbonylContact O-C 3.27Å; H279-T285 VanDerWaalsContact O-CB 3.27Å; H279-T285 WeakPolarHBondContact O-CB 3.24Å; H279-T285 PolarHBondContact O-OG1 2.93Å; M282-T285 VanDerWaalsContact CB-OG1 3.3Å; M282-T285 WeakPolarHBondContact CB-OG1 3.4Å; M282-T285 HydrophobicContact CE-CG2 4.46Å; M282-T285 CarbonylContact O-C 3.55Å; M282-T285 PolarHBondContact O-N 3.33Å; M282-T285 PolarHBondContact O-OG1 2.95Å; P283-T285 VanDerWaalsContact C-N 3.34Å; T285-N287 PolarHBondContact O-N 3.49Å; T285-H288 WeakPolarHBondContact O-CB 2.98Å; T285-H288 PolarHBondContact O-N 3.13Å
286T90.4Very high91.2Very high52 Ų5269.2 Ų69.232%0.31937%0.366SS..THydrogen-bonded Turntrans-57.2-36.1177.652.50000112.2S280 M282 P283 H288S280-T286 WeakPolarHBondContact O-CG2 3.27Å; M282-T286 WeakPolarHBondContact O-CG2 3.32Å; M282-T286 PolarHBondContact O-N 3.39Å; P283-T286 PolarHBondContact O-OG1 3.3Å; T286-H288 VanDerWaalsContact C-N 3.33Å
287N86.6Confident90.7Very high116 Ų11673.2 Ų73.262%0.6239%0.385SS*.THydrogen-bonded Turntrans-86.9-3.4-178.9-66.3-17.3000113T285 R354T285-N287 PolarHBondContact O-N 3.49Å; N287-R354 WeakPolarHBondContact O-CD 3.4Å; N287-R354 PolarHBondContact O-NE 3.29Å
288H90.5Very high90.5Very high28 Ų2876.4 Ų76.413%0.1340%0.4CS..SBendtrans-68.9144.4-178.4-68.7-165.8000111.6C264 E266 C267 H279 V284 T285 T286 L290 R354C264-H288 VanDerWaalsContact SG-CB 3.51Å; C264-H288 PolarHBondContact SG-ND1 3.49Å; E266-H288 HydrophobicContact CB-CB 4.16Å; E266-H288 VanDerWaalsContact OE1-CA 3.25Å; E266-H288 WeakPolarHBondContact OE1-CA 3.42Å; E266-H288 IonicContact OE2-CD2 2.99Å; E266-H288 PolarHBondContact OE2-CD2 3.43Å; E266-H288 IonicContact OE2-CG 3.98Å; E266-H288 IonicContact OE2-NE2 3.92Å; E266-H288 PolarHBondContact OE2-NE2 2.91Å; C267-H288 PolarHBondContact SG-CE1 3.13Å; C267-H288 PolarHBondContact SG-ND1 3.43Å; H279-H288 AromaticContact CE1-ND1 3.78Å; H279-H288 AromaticContact NE2-CG 3.81Å; H279-H288 AromaticContact NE2-ND1 3.47Å; H279-H288 PolarHBondContact NE2-ND1 3.34Å; V284-H288 PolarHBondContact O-NE2 2.9Å; T285-H288 WeakPolarHBondContact O-CB 2.98Å; T285-H288 PolarHBondContact O-N 3.13Å; T286-H288 VanDerWaalsContact C-N 3.33Å; H288-L290 PolarHBondContact O-N 2.89Å; H288-R354 PolarHBondContact O-NH2 2.94Å
289V90.9Very high90.4Very high24 Ų2475.5 Ų75.515%0.14539%0.388CS..  trans-77.2122.3173.8-175.70000110.4L265 E266 I291 M353 R354L265-V289 HydrophobicContact CB-CB 4.4Å; L265-V289 HydrophobicContact CD1-CB 4.35Å; L265-V289 HydrophobicContact CD1-CG1 3.94Å; L265-V289 PolarHBondContact N-O 3.06Å; E266-V289 PolarHBondContact OE1-N 3.41Å; E266-V289 VanDerWaalsContact OE1-N 3.09Å; V289-I291 HydrophobicContact CG1-CG2 4.38Å; V289-M353 HydrophobicContact CG1-SD 4.12Å; V289-M353 HydrophobicContact CG2-CB 4.21Å; V289-R354 HydrophobicContact CG2-CG 4.06Å
290L93Very high90.3Very high53 Ų5379.2 Ų79.228%0.27740%0.402SS..EExtended strand (participates in β ladder)trans-105.5130.7175.5-65.4171.9000109.1A263 C264 L271 Q276 H288A263-L290 WeakPolarHBondContact O-CA 3.32Å; C264-L290 HydrophobicContact CB-CD2 3.85Å; L271-L290 HydrophobicContact CD1-CD2 3.97Å; Q276-L290 HydrophobicContact CG-CD1 3.93Å; H288-L290 PolarHBondContact O-N 2.89Å
291I92.6Very high90.2Very high23 Ų2377 Ų7712%0.11839%0.386CS..EExtended strand (participates in β ladder)trans-122.6169.3177.357.2160.1000110S262 A263 L265 V289 Q295 M296 L299S262-I291 CarbonylContact C-O 3.57Å; S262-I291 WeakPolarHBondContact CA-O 3.21Å; S262-I291 WeakPolarHBondContact CB-O 3.37Å; A263-I291 HydrophobicContact CB-CD1 4.41Å; A263-I291 HydrophobicContact CB-CG1 4.07Å; A263-I291 PolarHBondContact N-O 3.49Å; A263-I291 VanDerWaalsContact O-CG1 3.26Å; A263-I291 WeakPolarHBondContact O-CG1 3.39Å; A263-I291 PolarHBondContact O-N 3.32Å; L265-I291 HydrophobicContact CD1-CG2 3.78Å; L265-I291 HydrophobicContact CD2-CD1 3.52Å; L265-I291 HydrophobicContact CD2-CG1 4.07Å; L265-I291 HydrophobicContact CG-CD1 4.05Å; L265-I291 HydrophobicContact CG-CG1 4.08Å; L265-I291 HydrophobicContact CG-CG2 4Å; V289-I291 HydrophobicContact CG1-CG2 4.38Å; I291-Q295 HydrophobicContact CD1-CB 4.14Å; I291-M296 HydrophobicContact CD1-CB 4.04Å; I291-L299 HydrophobicContact CD1-CD1 3.79Å; I291-L299 HydrophobicContact CG2-CD1 4.42Å
292Q93.3Very high90.1Very high119 Ų11974.8 Ų74.856%0.55639%0.388SS*.EExtended strand (participates in β ladder)trans-68.9146.1168.6-65-179.5-600110D294 Q295Q292-D294 PolarHBondContact O-N 3.07Å; Q292-Q295 HydrophobicContact CB-CG 4.13Å; Q292-Q295 VanDerWaalsContact N-OE1 3.15Å; Q292-Q295 WeakPolarHBondContact O-CB 3.36Å; Q292-Q295 PolarHBondContact O-N 2.88Å; Q292-Q295 VanDerWaalsContact O-N 3.09Å
293V90.7Very high89.8Confident15 Ų1574.8 Ų74.89%0.09138%0.382CS..THydrogen-bonded Turntrans-58.3-37.7-177173.30000111.9P146 A260 T261 S262 A263 R270 Q295 M296P146-V293 HydrophobicContact CB-CG1 3.81Å; P146-V293 HydrophobicContact CG-CG1 3.76Å; A260-V293 HydrophobicContact CB-CG2 3.87Å; T261-V293 VanDerWaalsContact C-CG2 3.49Å; T261-V293 PolarHBondContact O-N 3.05Å; S262-V293 VanDerWaalsContact O-CG2 3.26Å; S262-V293 WeakPolarHBondContact O-CG2 3.48Å; A263-V293 HydrophobicContact CB-CG2 4.43Å; R270-V293 HydrophobicContact CG-CG1 4.5Å; V293-Q295 PolarHBondContact O-N 3.5Å; V293-M296 WeakPolarHBondContact O-CB 3.48Å; V293-M296 PolarHBondContact O-N 3.2Å; V293-M296 VanDerWaalsContact O-N 3.11Å
294D87.3Confident89.6Confident121 Ų12170.9 Ų70.965%0.64735%0.354SS*.THydrogen-bonded Turntrans-67.6-25.3-178.1-55.5-27.4000112.4Q292 M296Q292-D294 PolarHBondContact O-N 3.07Å; D294-M296 VanDerWaalsContact C-N 3.28Å; D294-M296 PolarHBondContact O-N 3.13Å
295Q89Confident89.4Confident73 Ų7369 Ų6934%0.34134%0.344SS..Hα-helixtrans-75.9-15.5176.5-65.3172.9-27.200112.8I291 Q292 V293 E297 Q298 L299I291-Q295 HydrophobicContact CD1-CB 4.14Å; Q292-Q295 HydrophobicContact CB-CG 4.13Å; Q292-Q295 VanDerWaalsContact N-OE1 3.15Å; Q292-Q295 WeakPolarHBondContact O-CB 3.36Å; Q292-Q295 PolarHBondContact O-N 2.88Å; Q292-Q295 VanDerWaalsContact O-N 3.09Å; V293-Q295 PolarHBondContact O-N 3.5Å; Q295-E297 VanDerWaalsContact C-N 3.27Å; Q295-E297 PolarHBondContact O-N 3.43Å; Q295-Q298 PolarHBondContact O-N 2.69Å; Q295-L299 PolarHBondContact O-N 2.57Å
296M86.5Confident89.2Confident27 Ų2779.3 Ų79.313%0.13338%0.382CS..Hα-helixtrans-65.7-31.9-177-166.4178.9-174.300112A263 R270 I291 V293 D294 L308A263-M296 HydrophobicContact CB-CB 4.29Å; A263-M296 HydrophobicContact CB-CG 4.27Å; A263-M296 HydrophobicContact CB-SD 3.63Å; R270-M296 HydrophobicContact CG-SD 4.1Å; I291-M296 HydrophobicContact CD1-CB 4.04Å; V293-M296 WeakPolarHBondContact O-CB 3.48Å; V293-M296 PolarHBondContact O-N 3.2Å; V293-M296 VanDerWaalsContact O-N 3.11Å; D294-M296 VanDerWaalsContact C-N 3.28Å; D294-M296 PolarHBondContact O-N 3.13Å; M296-L308 HydrophobicContact CE-CD1 3.62Å; M296-L308 HydrophobicContact CG-CD1 4.13Å; M296-L308 HydrophobicContact CG-CD2 4.16Å; M296-L308 WeakPolarHBondContact O-CD2 3.42Å
297E83.6Confident89.2Confident148 Ų14879.8 Ų79.869%0.69238%0.38SS*.Hα-helixtrans-70.3-37.7176.4-68.5-178.8-18000111.7Q295 L299 R300Q295-E297 VanDerWaalsContact C-N 3.27Å; Q295-E297 PolarHBondContact O-N 3.43Å; E297-L299 VanDerWaalsContact C-N 3.28Å; E297-L299 PolarHBondContact O-N 2.76Å; E297-R300 WeakPolarHBondContact O-CG 3.42Å; E297-R300 PolarHBondContact O-N 2.82Å
298Q87.9Confident89.4Confident152 Ų15274.6 Ų74.671%0.7135%0.353SS*.Hα-helixtrans-68.8-27.2179.3-60.5171.82.400112.6Q295 R300Q295-Q298 PolarHBondContact O-N 2.69Å; Q298-R300 VanDerWaalsContact C-N 3.31Å
299L90.7Very high89.5Confident30 Ų3075.9 Ų75.916%0.15736%0.356CS..THydrogen-bonded Turntrans-89.29.6179.7-69171.6000113.7L265 I291 Q295 E297 L308 R309L265-L299 HydrophobicContact CD1-CD1 3.94Å; L265-L299 HydrophobicContact CD2-CD1 3.81Å; L265-L299 HydrophobicContact CG-CD1 4.47Å; I291-L299 HydrophobicContact CD1-CD1 3.79Å; I291-L299 HydrophobicContact CG2-CD1 4.42Å; Q295-L299 PolarHBondContact O-N 2.57Å; E297-L299 VanDerWaalsContact C-N 3.28Å; E297-L299 PolarHBondContact O-N 2.76Å; L299-L308 CarbonylContact O-C 3.22Å; L299-L308 WeakPolarHBondContact O-CA 3.41Å; L299-R309 WeakPolarHBondContact O-CB 3.4Å; L299-R309 WeakPolarHBondContact O-CG 3.37Å; L299-R309 PolarHBondContact O-N 3.4Å
300R90.9Very high89.4Confident92 Ų9278.4 Ų78.435%0.34736%0.363SS..BIsolated β-bridgetrans-66143.4170.1-69.3-178.3177-76.5-0.9110.3E297 Q298 P305 L308 R309E297-R300 WeakPolarHBondContact O-CG 3.42Å; E297-R300 PolarHBondContact O-N 2.82Å; Q298-R300 VanDerWaalsContact C-N 3.31Å; R300-P305 WeakPolarHBondContact CD-O 3.44Å; R300-P305 PolarHBondContact NH1-O 3.15Å; R300-L308 HydrophobicContact CG-CD2 3.94Å; R300-R309 PolarHBondContact O-NE 3.48Å
301C91.4Very high89.4Confident7 Ų779 Ų795%0.04736%0.363CS..  trans-71.2133174.6-175.40000109.9R303 H304 P305 E307 R309 C321C301-R303 PolarHBondContact O-N 3.37Å; C301-R303 PolarHBondContact SG-N 2.94Å; C301-R303 VanDerWaalsContact SG-N 3.45Å; C301-H304 HydrophobicContact CB-CB 3.92Å; C301-H304 WeakPolarHBondContact CB-O 3.33Å; C301-H304 CarbonylContact O-C 3.58Å; C301-H304 PolarHBondContact O-N 2.92Å; C301-H304 PolarHBondContact SG-N 3.39Å; C301-H304 VanDerWaalsContact SG-N 3.43Å; C301-P305 WeakPolarHBondContact O-CA 3.49Å; C301-E307 PolarHBondContact N-O 3.33Å; C301-R309 HydrophobicContact CB-CG 4.21Å; C301-C321 HydrophobicContact CB-CB 3.76Å
302N88.9Confident89.4Confident138 Ų13878.8 Ų78.874%0.73836%0.362SS*.SBendtrans-64.7-31.4176.8-65.8-0.2000111.6R309N302-R309 PolarHBondContact ND2-NH2 3.34Å; N302-R309 PolarHBondContact OD1-NH2 2.96Å
303R86.5Confident89.4Confident99 Ų9973.1 Ų73.137%0.37434%0.336SS..SBendtrans-86.5-30.9178.8-62.1179.262.4-143.3-17.3112.4C301 P305 E327C301-R303 PolarHBondContact O-N 3.37Å; C301-R303 PolarHBondContact SG-N 2.94Å; C301-R303 VanDerWaalsContact SG-N 3.45Å; R303-P305 WeakPolarHBondContact O-CD 3.2Å; R303-E327 IonicContact CZ-OE1 3.57Å; R303-E327 IonicContact CZ-OE2 3.08Å; R303-E327 IonicContact NH1-OE1 3.87Å; R303-E327 IonicContact NH1-OE2 2.61Å; R303-E327 PolarHBondContact NH1-OE2 3.43Å; R303-E327 IonicContact NH2-OE1 2.71Å; R303-E327 PolarHBondContact NH2-OE1 3.43Å; R303-E327 IonicContact NH2-OE2 2.96Å; R303-E327 PolarHBondContact NH2-OE2 2.9Å
304H89.2Confident89.5Confident34 Ų3473.8 Ų73.816%0.15734%0.338CS..  trans-127.576.8-177.6-51.2109.1000110C301 R306 E307 C321 I323 C324 E327C301-H304 HydrophobicContact CB-CB 3.92Å; C301-H304 WeakPolarHBondContact CB-O 3.33Å; C301-H304 CarbonylContact O-C 3.58Å; C301-H304 PolarHBondContact O-N 2.92Å; C301-H304 PolarHBondContact SG-N 3.39Å; C301-H304 VanDerWaalsContact SG-N 3.43Å; H304-R306 PolarHBondContact O-N 2.85Å; H304-E307 HydrophobicContact CB-CB 3.96Å; H304-E307 HydrophobicContact CB-CG 4.14Å; H304-E307 PolarHBondContact O-N 2.86Å; H304-C321 PolarHBondContact ND1-SG 2.89Å; H304-I323 HydrophobicContact CB-CD1 4Å; H304-I323 WeakPolarHBondContact CE1-CG2 3.48Å; H304-I323 VanDerWaalsContact NE2-CG2 3.33Å; H304-I323 WeakPolarHBondContact NE2-CG2 3.17Å; H304-C324 PolarHBondContact ND1-SG 2.9Å; H304-E327 IonicContact CE1-OE1 3.39Å; H304-E327 PolarHBondContact CE1-OE1 2.92Å; H304-E327 IonicContact CE1-OE2 3.7Å; H304-E327 IonicContact NE2-OE1 3.47Å; H304-E327 PolarHBondContact NE2-OE1 3.29Å
305P87.2Confident89.7Confident85 Ų8571.7 Ų71.755%0.55233%0.33SS*.THydrogen-bonded Turntrans-57.3-22.3-171.1-27.935000115.4R300 C301 R303R300-P305 WeakPolarHBondContact CD-O 3.44Å; R300-P305 PolarHBondContact NH1-O 3.15Å; C301-P305 WeakPolarHBondContact O-CA 3.49Å; R303-P305 WeakPolarHBondContact O-CD 3.2Å
306R86.7Confident89.8Confident230 Ų23070.5 Ų70.587%0.86833%0.329SS*.THydrogen-bonded Turntrans-78.5-24.8175.6-66-175.1178.5178.70.7113.2H304H304-R306 PolarHBondContact O-N 2.85Å
307E90.2Very high90.1Very high61 Ų6178.7 Ų78.729%0.28536%0.359SS..SBendtrans-95.1144.5-177.8-66.6-57.4145.300112.1C301 H304 C321 I322 I323C301-E307 PolarHBondContact N-O 3.33Å; H304-E307 HydrophobicContact CB-CB 3.96Å; H304-E307 HydrophobicContact CB-CG 4.14Å; H304-E307 PolarHBondContact O-N 2.86Å; E307-C321 HydrophobicContact CB-CB 3.83Å; E307-I322 HydrophobicContact CG-CG2 4.36Å; E307-I323 HydrophobicContact CG-CD1 3.68Å; E307-I323 HydrophobicContact CG-CG1 4.1Å
308L90.5Very high90.5Very high7 Ų773.2 Ų73.24%0.03734%0.339CS..BIsolated β-bridgetrans-93.4145.3173.6-64.6173.2000110.3L265 M296 L299 R300 R310 C321L265-L308 HydrophobicContact CD2-CD1 4.28Å; M296-L308 HydrophobicContact CE-CD1 3.62Å; M296-L308 HydrophobicContact CG-CD1 4.13Å; M296-L308 HydrophobicContact CG-CD2 4.16Å; M296-L308 WeakPolarHBondContact O-CD2 3.42Å; L299-L308 CarbonylContact O-C 3.22Å; L299-L308 WeakPolarHBondContact O-CA 3.41Å; R300-L308 HydrophobicContact CG-CD2 3.94Å; L308-R310 VanDerWaalsContact C-N 3.34Å; L308-R310 HydrophobicContact CB-CG 3.96Å; L308-R310 PolarHBondContact O-N 3.4Å; L308-C321 WeakPolarHBondContact O-CA 3.19Å; L308-C321 VanDerWaalsContact O-CB 3.28Å; L308-C321 WeakPolarHBondContact O-CB 3.43Å
309R92.2Very high90.7Very high56 Ų5671.5 Ų71.521%0.21133%0.327CS..  trans-76.684.1173.7-58.5170.3-172.5-132.910.1109.8L299 R300 C301 N302 Y319 I320 M353L299-R309 WeakPolarHBondContact O-CB 3.4Å; L299-R309 WeakPolarHBondContact O-CG 3.37Å; L299-R309 PolarHBondContact O-N 3.4Å; R300-R309 PolarHBondContact O-NE 3.48Å; C301-R309 HydrophobicContact CB-CG 4.21Å; N302-R309 PolarHBondContact ND2-NH2 3.34Å; N302-R309 PolarHBondContact OD1-NH2 2.96Å; R309-Y319 WeakPolarHBondContact CD-O 3.27Å; R309-Y319 PolarHBondContact NH1-O 3.39Å; R309-I320 CarbonylContact C-O 3.58Å; R309-I320 VanDerWaalsContact C-O 3.27Å; R309-I320 WeakPolarHBondContact CA-O 3.42Å; R309-M353 WeakPolarHBondContact O-CE 3.33Å
310R90.1Very high90.8Very high76 Ų7670.3 Ų70.329%0.28732%0.32SS..  trans-92.5-16.7-173.3-62.6171.4-173.7-159.1-5.4113.5L265 E266 L308 I320L265-R310 HydrophobicContact CB-CG 4.47Å; L265-R310 WeakPolarHBondContact O-CD 3.46Å; L265-R310 WeakPolarHBondContact O-CG 3.46Å; L265-R310 PolarHBondContact O-NE 3.43Å; L265-R310 PolarHBondContact O-NH1 2.86Å; E266-R310 PolarHBondContact O-NH1 3.46Å; L308-R310 VanDerWaalsContact C-N 3.34Å; L308-R310 HydrophobicContact CB-CG 3.96Å; L308-R310 PolarHBondContact O-N 3.4Å; R310-I320 PolarHBondContact N-O 3.12Å; R310-I320 VanDerWaalsContact N-O 3.09Å
311F91.7Very high90.9Very high65 Ų6565.9 Ų65.929%0.28530%0.304SS..EExtended strand (participates in β ladder)trans-111.7159.6-177.9-54.5-79.4000110.7Y319 I320 I322 I350F311-Y319 WeakPolarHBondContact O-CA 3.17Å; F311-I320 HydrophobicContact CB-CD1 4.48Å; F311-I320 HydrophobicContact CB-CG1 3.85Å; F311-I320 PolarHBondContact N-O 2.98Å; F311-I320 PolarHBondContact O-N 3.4Å; F311-I322 HydrophobicContact CE2-CB 4Å; F311-I322 HydrophobicContact CE2-CG1 4.21Å; F311-I350 HydrophobicContact CB-CG2 3.62Å; F311-I350 HydrophobicContact CD1-CG2 4.35Å; F311-I350 HydrophobicContact CG-CG2 4.12Å
312F93.7Very high90.8Very high20 Ų2069 Ų699%0.08832%0.319CS..EExtended strand (participates in β ladder)trans-119.1125.5174.2-172.1-90.4000109L314 R317 Y319 L351 A356 Y360F312-L314 HydrophobicContact CD1-CD2 4.03Å; F312-L314 HydrophobicContact CE1-CD2 3.95Å; F312-R317 HydrophobicContact CZ-CB 4.32Å; F312-Y319 AromaticContact CD2-CD1 3.88Å; F312-Y319 HydrophobicContact CD2-CD1 3.88Å; F312-Y319 AromaticContact CD2-CE1 3.88Å; F312-Y319 HydrophobicContact CD2-CE1 3.88Å; F312-Y319 HydrophobicContact CD2-CG 4.35Å; F312-L351 PolarHBondContact N-O 3.13Å; F312-L351 PolarHBondContact O-N 3.36Å; F312-A356 HydrophobicContact CB-CB 3.76Å; F312-A356 HydrophobicContact CD1-CB 3.6Å; F312-A356 HydrophobicContact CE1-CB 4.46Å; F312-A356 HydrophobicContact CG-CB 3.86Å; F312-Y360 AromaticContact CE1-CE2 3.59Å; F312-Y360 HydrophobicContact CE1-CE2 3.59Å; F312-Y360 AromaticContact CE1-CZ 3.81Å; F312-Y360 WeakPolarHBondContact CE1-OH 3.23Å; F312-Y360 AromaticContact CZ-CE2 3.74Å; F312-Y360 HydrophobicContact CZ-CE2 3.74Å
313C93.8Very high91Very high0 Ų065.6 Ų65.60%030%0.3CS..EExtended strand (participates in β ladder)trans-88.6113.3172.1177.40000108.7C316 R317 A318 I320 H345 H348 D349C313-C316 HydrophobicContact CB-CB 4.25Å; C313-C316 PolarHBondContact SG-N 2.92Å; C313-R317 VanDerWaalsContact O-CA 3.24Å; C313-R317 WeakPolarHBondContact O-CA 3.29Å; C313-R317 PolarHBondContact O-N 3.39Å; C313-A318 PolarHBondContact N-O 2.87Å; C313-A318 PolarHBondContact O-N 2.78Å; C313-I320 HydrophobicContact CB-CD1 4.17Å; C313-I320 HydrophobicContact CB-CG2 4.15Å; C313-H345 PolarHBondContact SG-ND1 3.47Å; C313-H348 WeakPolarHBondContact SG-CB 3.04Å; C313-D349 CarbonylContact C-O 3.35Å; C313-D349 WeakPolarHBondContact CA-O 3.47Å
314L92Very high91.2Very high29 Ų2961.2 Ų61.215%0.15229%0.285CS..THydrogen-bonded Turntrans-64.6-39.7176.7-74.8-179.3000111.8F312 R317 D349 L351 A356 A359 Y360F312-L314 HydrophobicContact CD1-CD2 4.03Å; F312-L314 HydrophobicContact CE1-CD2 3.95Å; L314-R317 PolarHBondContact O-N 2.91Å; L314-D349 HydrophobicContact CB-CB 3.96Å; L314-D349 HydrophobicContact CD1-CB 4.34Å; L314-D349 PolarHBondContact N-O 3.38Å; L314-L351 HydrophobicContact CD1-CD1 3.34Å; L314-L351 HydrophobicContact CD1-CG 4.04Å; L314-L351 HydrophobicContact CD2-CD1 4.36Å; L314-L351 HydrophobicContact CG-CD1 3.83Å; L314-L351 HydrophobicContact CG-CG 4.29Å; L314-A356 HydrophobicContact CD2-CB 4.32Å; L314-A359 HydrophobicContact CD1-CB 4.3Å; L314-Y360 HydrophobicContact CD2-CD1 4.45Å; L314-Y360 HydrophobicContact CD2-CE1 3.95Å; L314-Y360 HydrophobicContact CD2-CE2 4.21Å
315T91.2Very high91.3Very high77 Ų7760.2 Ų60.247%0.47228%0.283SS..THydrogen-bonded Turntrans-62.6-46.1-179.6-44.50000111.7D349T315-D349 PolarHBondContact OG1-N 3.08Å
316C90.5Very high91.4Very high48 Ų4863.8 Ų63.832%0.32429%0.29SS..THydrogen-bonded Turntrans-90.7-8.5179.6-62.20000114.4C313 A318 H345 H348C313-C316 HydrophobicContact CB-CB 4.25Å; C313-C316 PolarHBondContact SG-N 2.92Å; C316-A318 VanDerWaalsContact C-N 3.3Å; C316-A318 HydrophobicContact CB-CB 4.3Å; C316-A318 PolarHBondContact O-N 2.8Å; C316-H345 VanDerWaalsContact CB-CE1 3.49Å; C316-H345 WeakPolarHBondContact CB-CE1 3.27Å; C316-H345 PolarHBondContact SG-CE1 3.01Å; C316-H345 PolarHBondContact SG-ND1 3.39Å; C316-H348 PolarHBondContact SG-CE1 2.83Å; C316-H348 PolarHBondContact SG-ND1 3.27Å
317R93.4Very high91.4Very high198 Ų19855 Ų5575%0.74726%0.259SS*.THydrogen-bonded Turntrans52.644.1-173.5-52.1-171.4176.1132.5-2.5113.3F312 C313 L314F312-R317 HydrophobicContact CZ-CB 4.32Å; C313-R317 VanDerWaalsContact O-CA 3.24Å; C313-R317 WeakPolarHBondContact O-CA 3.29Å; C313-R317 PolarHBondContact O-N 3.39Å; L314-R317 PolarHBondContact O-N 2.91Å
318A92.3Very high90.8Very high34 Ų3456.2 Ų56.228%0.28127%0.27SS..EExtended strand (participates in β ladder)trans-137.6147.5-172.200000112.9C313 C316C313-A318 PolarHBondContact N-O 2.87Å; C313-A318 PolarHBondContact O-N 2.78Å; C316-A318 VanDerWaalsContact C-N 3.3Å; C316-A318 HydrophobicContact CB-CB 4.3Å; C316-A318 PolarHBondContact O-N 2.8Å
319Y92.7Very high89.7Confident115 Ų11559 Ų5945%0.45129%0.288SS..EExtended strand (participates in β ladder)trans-75.4126.7169.4-62.4-75000110.7R309 F311 F312 M353R309-Y319 WeakPolarHBondContact CD-O 3.27Å; R309-Y319 PolarHBondContact NH1-O 3.39Å; F311-Y319 WeakPolarHBondContact O-CA 3.17Å; F312-Y319 AromaticContact CD2-CD1 3.88Å; F312-Y319 HydrophobicContact CD2-CD1 3.88Å; F312-Y319 AromaticContact CD2-CE1 3.88Å; F312-Y319 HydrophobicContact CD2-CE1 3.88Å; F312-Y319 HydrophobicContact CD2-CG 4.35Å; Y319-M353 HydrophobicContact CD1-CE 3.77Å; Y319-M353 HydrophobicContact CE1-CE 3.98Å; Y319-M353 HydrophobicContact CE1-CG 4.29Å; Y319-M353 HydrophobicContact CE1-SD 4.2Å
320I92.3Very high88Confident5 Ų561.2 Ų61.23%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-126.7151.6-176.369.3169.7000111.2R309 R310 F311 C313 C324 A325 H345 I350R309-I320 CarbonylContact C-O 3.58Å; R309-I320 VanDerWaalsContact C-O 3.27Å; R309-I320 WeakPolarHBondContact CA-O 3.42Å; R310-I320 PolarHBondContact N-O 3.12Å; R310-I320 VanDerWaalsContact N-O 3.09Å; F311-I320 HydrophobicContact CB-CD1 4.48Å; F311-I320 HydrophobicContact CB-CG1 3.85Å; F311-I320 PolarHBondContact N-O 2.98Å; F311-I320 PolarHBondContact O-N 3.4Å; C313-I320 HydrophobicContact CB-CD1 4.17Å; C313-I320 HydrophobicContact CB-CG2 4.15Å; I320-C324 HydrophobicContact CB-CB 4.02Å; I320-A325 HydrophobicContact CD1-CB 3.88Å; I320-H345 HydrophobicContact CD1-CB 3.78Å; I320-H345 WeakPolarHBondContact CG2-NE2 3.39Å; I320-I350 HydrophobicContact CD1-CD1 3.7Å; I320-I350 HydrophobicContact CD1-CG1 3.72Å; I320-I350 HydrophobicContact CD1-CG2 3.97Å
321C92.5Very high86Confident0 Ų065.1 Ų65.10%033%0.334CS..  trans-89.2172.2173.774.30000111.9C301 H304 E307 L308 I323 C324 A325C301-C321 HydrophobicContact CB-CB 3.76Å; H304-C321 PolarHBondContact ND1-SG 2.89Å; E307-C321 HydrophobicContact CB-CB 3.83Å; L308-C321 WeakPolarHBondContact O-CA 3.19Å; L308-C321 VanDerWaalsContact O-CB 3.28Å; L308-C321 WeakPolarHBondContact O-CB 3.43Å; C321-I323 PolarHBondContact O-N 3.34Å; C321-C324 PolarHBondContact O-N 3.41Å; C321-C324 PolarHBondContact SG-N 2.95Å; C321-C324 VanDerWaalsContact SG-N 3.43Å; C321-A325 PolarHBondContact O-N 3.33Å
322I90.4Very high84Confident72 Ų7266.3 Ų66.337%0.36935%0.35SS..Hα-helixtrans-58.7-36.3179.6-166.9164.2000112.3E307 F311 A325 F326E307-I322 HydrophobicContact CG-CG2 4.36Å; F311-I322 HydrophobicContact CE2-CB 4Å; F311-I322 HydrophobicContact CE2-CG1 4.21Å; I322-A325 WeakPolarHBondContact O-CB 3.05Å; I322-A325 PolarHBondContact O-N 3.23Å; I322-F326 HydrophobicContact CD1-CE2 4.48Å; I322-F326 HydrophobicContact CG1-CD2 4.23Å; I322-F326 HydrophobicContact CG1-CE2 3.83Å; I322-F326 WeakPolarHBondContact O-CD2 3.17Å
323I91.7Very high81.7Confident66 Ų6671.2 Ų71.234%0.33838%0.382SS..Hα-helixtrans-70.9-45.5179.4-56.1173.3000110.3H304 E307 C321 A325 F326 E327H304-I323 HydrophobicContact CB-CD1 4Å; H304-I323 WeakPolarHBondContact CE1-CG2 3.48Å; H304-I323 VanDerWaalsContact NE2-CG2 3.33Å; H304-I323 WeakPolarHBondContact NE2-CG2 3.17Å; E307-I323 HydrophobicContact CG-CD1 3.68Å; E307-I323 HydrophobicContact CG-CG1 4.1Å; C321-I323 PolarHBondContact O-N 3.34Å; I323-A325 PolarHBondContact O-N 2.97Å; I323-F326 PolarHBondContact O-N 3.47Å; I323-E327 HydrophobicContact CG2-CG 4.37Å; I323-E327 WeakPolarHBondContact O-CG 3.38Å; I323-E327 PolarHBondContact O-N 2.7Å; I323-E327 VanDerWaalsContact O-N 3.17Å
324C91.5Very high79.3Confident7 Ų775.6 Ų75.65%0.04742%0.418CS..Hα-helixtrans-60.2-29.2176.6-66.90000113.4H304 I320 C321 F326 E327 H345H304-C324 PolarHBondContact ND1-SG 2.9Å; I320-C324 HydrophobicContact CB-CB 4.02Å; C321-C324 PolarHBondContact O-N 3.41Å; C321-C324 PolarHBondContact SG-N 2.95Å; C321-C324 VanDerWaalsContact SG-N 3.43Å; C324-F326 VanDerWaalsContact C-N 3.29Å; C324-F326 PolarHBondContact O-N 2.91Å; C324-E327 WeakPolarHBondContact CA-OE2 3.44Å; C324-H345 WeakPolarHBondContact O-CB 3.46Å; C324-H345 PolarHBondContact O-N 2.78Å
325A91Very high77.3Confident14 Ų1482.3 Ų82.312%0.11645%0.453CS..Hα-helixtrans-66.8-27.517600000113.3I320 C321 I322 I323 A346 I350I320-A325 HydrophobicContact CD1-CB 3.88Å; C321-A325 PolarHBondContact O-N 3.33Å; I322-A325 WeakPolarHBondContact O-CB 3.05Å; I322-A325 PolarHBondContact O-N 3.23Å; I323-A325 PolarHBondContact O-N 2.97Å; A325-A346 WeakPolarHBondContact O-CA 3.07Å; A325-I350 HydrophobicContact CB-CD1 3.74Å
326F89.5Confident75.2Confident159 Ų15983.8 Ų83.870%0.69747%0.467SS*.Hα-helixtrans-102.5-10.6-178.6-71.3-69000114.1I322 I323 C324 T328I322-F326 HydrophobicContact CD1-CE2 4.48Å; I322-F326 HydrophobicContact CG1-CD2 4.23Å; I322-F326 HydrophobicContact CG1-CE2 3.83Å; I322-F326 WeakPolarHBondContact O-CD2 3.17Å; I323-F326 PolarHBondContact O-N 3.47Å; C324-F326 VanDerWaalsContact C-N 3.29Å; C324-F326 PolarHBondContact O-N 2.91Å; F326-T328 PolarHBondContact O-N 3.48Å
327E86.2Confident73.2Confident46 Ų4691.5 Ų91.522%0.21550%0.495CS..  trans-70.2125.1176.2-74.5169.8146.500109.8R303 H304 I323 C324 G344 H345 A346R303-E327 IonicContact CZ-OE1 3.57Å; R303-E327 IonicContact CZ-OE2 3.08Å; R303-E327 IonicContact NH1-OE1 3.87Å; R303-E327 IonicContact NH1-OE2 2.61Å; R303-E327 PolarHBondContact NH1-OE2 3.43Å; R303-E327 IonicContact NH2-OE1 2.71Å; R303-E327 PolarHBondContact NH2-OE1 3.43Å; R303-E327 IonicContact NH2-OE2 2.96Å; R303-E327 PolarHBondContact NH2-OE2 2.9Å; H304-E327 IonicContact CE1-OE1 3.39Å; H304-E327 PolarHBondContact CE1-OE1 2.92Å; H304-E327 IonicContact CE1-OE2 3.7Å; H304-E327 IonicContact NE2-OE1 3.47Å; H304-E327 PolarHBondContact NE2-OE1 3.29Å; I323-E327 HydrophobicContact CG2-CG 4.37Å; I323-E327 WeakPolarHBondContact O-CG 3.38Å; I323-E327 PolarHBondContact O-N 2.7Å; I323-E327 VanDerWaalsContact O-N 3.17Å; C324-E327 WeakPolarHBondContact CA-OE2 3.44Å; E327-G344 CarbonylContact O-C 3.59Å; E327-G344 WeakPolarHBondContact O-CA 3.18Å; E327-H345 PolarHBondContact O-N 2.87Å; E327-H345 VanDerWaalsContact O-N 3.07Å; E327-A346 VanDerWaalsContact O-CB 3.28Å; E327-A346 WeakPolarHBondContact O-CB 3.38Å; E327-A346 PolarHBondContact O-N 3.4Å
328T78Confident71Confident86 Ų8688.5 Ų88.553%0.52849%0.494SS..  trans-80.5157.2170.456.70000109.5F326 T330 A346F326-T328 PolarHBondContact O-N 3.48Å; T328-T330 PolarHBondContact O-N 3.29Å; T328-A346 HydrophobicContact CG2-CB 3.76Å
329V66.8Low68.7Low67 Ų6792.1 Ų92.141%0.40652%0.517SS..  trans-61.3109.3165.9-177.60000106.6D331V329-D331 PolarHBondContact O-N 2.96Å; V329-D331 VanDerWaalsContact O-N 3.16Å
330T56.6Low66.5Low102 Ų10290.9 Ų90.963%0.62653%0.525SS*.  trans-72.9109.5173.649.10000107.4T328 S332T328-T330 PolarHBondContact O-N 3.29Å; T330-S332 PolarHBondContact O-N 2.97Å
331D48.5Very low64.5Low157 Ų15797.8 Ų97.884%0.8456%0.562SS**  trans-66.251.6171.3-76.3-27.4000112V329 T333V329-D331 PolarHBondContact O-N 2.96Å; V329-D331 VanDerWaalsContact O-N 3.16Å; D331-T333 PolarHBondContact O-N 3.3Å
332S50.4Low62.9Low91 Ų91105.6 Ų105.664%0.63659%0.593SS**  trans-99.389.5176.3-620000108.8T330T330-S332 PolarHBondContact O-N 2.97Å
333T45.6Very low61.8Low123 Ų123105 Ų10576%0.75559%0.593SS**  trans72.8101.4153.655.60000117.6D331D331-T333 PolarHBondContact O-N 3.3Å
334A43.3Very low61Low91 Ų91102.1 Ų102.175%0.75258%0.579SS**SBendtrans-34.9139.8140.700000111.1
335L49.2Very low60.8Low170 Ų170102.9 Ų102.989%0.8958%0.582SS**  trans92.561-173.9-67.885.2000116.2
336S46.2Very low60.6Low109 Ų109104 Ų10476%0.76259%0.591SS**  -157121.3127.2440000108.5D338S336-D338 PolarHBondContact O-N 3.49Å
337K49.6Very low60.6Low210 Ų210103 Ų10391%0.91359%0.593SS**  trans-81.24-171.4-118.9177.5-179.6-179.50113.3
338D46.7Very low60.8Low135 Ų135103 Ų10372%0.72259%0.593SS**SBendtrans-131.4111.9-169.2-70.6-45.8000112.5S336S336-D338 PolarHBondContact O-N 3.49Å
339S44.4Very low61.5Low110 Ų110104.2 Ų104.277%0.76960%0.596SS**SBendtrans90.6104.3135.8-54.60000119.3
340S45.7Very low62.7Low89 Ų89103.4 Ų103.462%0.62259%0.589SS**  trans84.177.9164.973.20000116.8Y342S340-Y342 WeakPolarHBondContact O-CD2 3.21Å; S340-Y342 PolarHBondContact O-N 2.9Å
341N50.7Low64.4Low149 Ų149100.7 Ų100.780%0.79757%0.57SS**  trans-43.397.5170.1-66.7-22000113.7T343N341-T343 VanDerWaalsContact C-N 3.28Å; N341-T343 HydrophobicContact CB-CG2 4.3Å; N341-T343 PolarHBondContact O-N 3.48Å
342Y58.7Low66.4Low165 Ų16594.9 Ų94.965%0.64754%0.542SS*.  trans-76.385.3160.8-67.1-85.2000108.3S340S340-Y342 WeakPolarHBondContact O-CD2 3.21Å; S340-Y342 PolarHBondContact O-N 2.9Å
343T68.1Low68.3Low60 Ų6091.8 Ų91.837%0.36852%0.518SS..  trans-93.8124.2171.548.10000108.4N341N341-T343 VanDerWaalsContact C-N 3.28Å; N341-T343 HydrophobicContact CB-CG2 4.3Å; N341-T343 PolarHBondContact O-N 3.48Å
344G74.1Confident70.4Confident5 Ų592.1 Ų92.15%0.05251%0.505CS..  trans-63.7155163.100000110.3E327E327-G344 CarbonylContact O-C 3.59Å; E327-G344 WeakPolarHBondContact O-CA 3.18Å
345H88Confident72.7Confident22 Ų2292.9 Ų92.910%0.10249%0.494CS..  trans-106.710.8178.3-61.9-98.7000113.4C313 C316 I320 C324 E327 D347 H348 I350C313-H345 PolarHBondContact SG-ND1 3.47Å; C316-H345 VanDerWaalsContact CB-CE1 3.49Å; C316-H345 WeakPolarHBondContact CB-CE1 3.27Å; C316-H345 PolarHBondContact SG-CE1 3.01Å; C316-H345 PolarHBondContact SG-ND1 3.39Å; I320-H345 HydrophobicContact CD1-CB 3.78Å; I320-H345 WeakPolarHBondContact CG2-NE2 3.39Å; C324-H345 WeakPolarHBondContact O-CB 3.46Å; C324-H345 PolarHBondContact O-N 2.78Å; E327-H345 PolarHBondContact O-N 2.87Å; E327-H345 VanDerWaalsContact O-N 3.07Å; H345-D347 PolarHBondContact O-N 2.92Å; H345-H348 HydrophobicContact CB-CB 4.33Å; H345-H348 AromaticContact CG-ND1 3.79Å; H345-H348 AromaticContact ND1-ND1 3.31Å; H345-H348 PolarHBondContact ND1-ND1 2.69Å; H345-H348 WeakPolarHBondContact O-CB 3.32Å; H345-H348 PolarHBondContact O-N 3.26Å; H345-I350 HydrophobicContact CB-CD1 4.03Å; H345-I350 HydrophobicContact CB-CG1 4.46Å; H345-I350 WeakPolarHBondContact O-CD1 3.34Å
346A87.1Confident74.8Confident38 Ų3885 Ų8531%0.31445%0.453SS..THydrogen-bonded Turntrans-53.7-38-17700000113.9A325 E327 T328A325-A346 WeakPolarHBondContact O-CA 3.07Å; E327-A346 VanDerWaalsContact O-CB 3.28Å; E327-A346 WeakPolarHBondContact O-CB 3.38Å; E327-A346 PolarHBondContact O-N 3.4Å; T328-A346 HydrophobicContact CG2-CB 3.76Å
347D88Confident77Confident138 Ų13884.5 Ų84.574%0.73845%0.445SS*.THydrogen-bonded Turntrans-98.111.9-177.7-54.5-48.6000113.2H345H345-D347 PolarHBondContact O-N 2.92Å
348H91.2Very high79.2Confident47 Ų4776.8 Ų76.822%0.21842%0.42CS..SBendtrans-101159.8-179.1-64.5159.6000112.4C313 C316 H345 I350C313-H348 WeakPolarHBondContact SG-CB 3.04Å; C316-H348 PolarHBondContact SG-CE1 2.83Å; C316-H348 PolarHBondContact SG-ND1 3.27Å; H345-H348 HydrophobicContact CB-CB 4.33Å; H345-H348 AromaticContact CG-ND1 3.79Å; H345-H348 AromaticContact ND1-ND1 3.31Å; H345-H348 PolarHBondContact ND1-ND1 2.69Å; H345-H348 WeakPolarHBondContact O-CB 3.32Å; H345-H348 PolarHBondContact O-N 3.26Å; H348-I350 PolarHBondContact O-N 3.31Å
349D91.8Very high81.4Confident110 Ų11071.5 Ų71.559%0.58840%0.395SS*.  trans-72.797.7176.3-74.9-29.7000110.3C313 L314 T315C313-D349 CarbonylContact C-O 3.35Å; C313-D349 WeakPolarHBondContact CA-O 3.47Å; L314-D349 HydrophobicContact CB-CB 3.96Å; L314-D349 HydrophobicContact CD1-CB 4.34Å; L314-D349 PolarHBondContact N-O 3.38Å; T315-D349 PolarHBondContact OG1-N 3.08Å
350I93.3Very high83.8Confident51 Ų5169.5 Ų69.526%0.26237%0.371SS..EExtended strand (participates in β ladder)trans-101.5121.8-179.1-59.9163.6000109.7F311 I320 A325 H345 H348F311-I350 HydrophobicContact CB-CG2 3.62Å; F311-I350 HydrophobicContact CD1-CG2 4.35Å; F311-I350 HydrophobicContact CG-CG2 4.12Å; I320-I350 HydrophobicContact CD1-CD1 3.7Å; I320-I350 HydrophobicContact CD1-CG1 3.72Å; I320-I350 HydrophobicContact CD1-CG2 3.97Å; A325-I350 HydrophobicContact CB-CD1 3.74Å; H345-I350 HydrophobicContact CB-CD1 4.03Å; H345-I350 HydrophobicContact CB-CG1 4.46Å; H345-I350 WeakPolarHBondContact O-CD1 3.34Å; H348-I350 PolarHBondContact O-N 3.31Å
351L92.2Very high86.1Confident44 Ų4470 Ų7023%0.2336%0.364CS..EExtended strand (participates in β ladder)trans-119.9157.6178.1-64.8-176.2000111F312 L314 Q355 A356 A359F312-L351 PolarHBondContact N-O 3.13Å; F312-L351 PolarHBondContact O-N 3.36Å; L314-L351 HydrophobicContact CD1-CD1 3.34Å; L314-L351 HydrophobicContact CD1-CG 4.04Å; L314-L351 HydrophobicContact CD2-CD1 4.36Å; L314-L351 HydrophobicContact CG-CD1 3.83Å; L314-L351 HydrophobicContact CG-CG 4.29Å; L351-Q355 HydrophobicContact CB-CB 3.92Å; L351-Q355 HydrophobicContact CD1-CB 4.21Å; L351-Q355 HydrophobicContact CD2-CB 4.32Å; L351-Q355 HydrophobicContact CG-CB 4.39Å; L351-A356 HydrophobicContact CB-CB 4.16Å; L351-A359 HydrophobicContact CD1-CB 3.99Å
352S90.6Very high88.3Confident36 Ų3668 Ų6825%0.25235%0.353SS..EExtended strand (participates in β ladder)trans-63.1154.9160.267.60000109.7R354 Q355 A356S352-R354 PolarHBondContact O-N 3.21Å; S352-Q355 VanDerWaalsContact N-OE1 3.08Å; S352-Q355 PolarHBondContact O-N 2.7Å; S352-Q355 WeakPolarHBondContact OG-CB 3.45Å; S352-Q355 VanDerWaalsContact OG-CG 3.26Å; S352-Q355 WeakPolarHBondContact OG-CG 3.34Å; S352-Q355 PolarHBondContact OG-N 3.13Å; S352-Q355 PolarHBondContact OG-OE1 2.78Å; S352-A356 PolarHBondContact O-N 3.47Å
353M89.2Confident90Very high25 Ų2565 Ų6512%0.12335%0.345CS..Hα-helixtrans-56.4-37.9-178-61.1-179.5179.900112.8L265 V289 R309 Y319 A356 V357L265-M353 HydrophobicContact CD1-CE 3.47Å; L265-M353 VanDerWaalsContact CD1-CE 3.47Å; L265-M353 HydrophobicContact CD1-SD 3.59Å; L265-M353 VanDerWaalsContact CD1-SD 3.59Å; V289-M353 HydrophobicContact CG1-SD 4.12Å; V289-M353 HydrophobicContact CG2-CB 4.21Å; R309-M353 WeakPolarHBondContact O-CE 3.33Å; Y319-M353 HydrophobicContact CD1-CE 3.77Å; Y319-M353 HydrophobicContact CE1-CE 3.98Å; Y319-M353 HydrophobicContact CE1-CG 4.29Å; Y319-M353 HydrophobicContact CE1-SD 4.2Å; M353-A356 PolarHBondContact O-N 3.08Å; M353-V357 WeakPolarHBondContact O-CG2 3.44Å; M353-V357 PolarHBondContact O-N 2.98Å
354R89.6Confident91.4Very high130 Ų13067.6 Ų67.649%0.49136%0.356SS..Hα-helixtrans-67.1-41.1177.6-66.1-174.2-174.5-87.13.9112.4N287 H288 V289 S352 V357 A358N287-R354 WeakPolarHBondContact O-CD 3.4Å; N287-R354 PolarHBondContact O-NE 3.29Å; H288-R354 PolarHBondContact O-NH2 2.94Å; V289-R354 HydrophobicContact CG2-CG 4.06Å; S352-R354 PolarHBondContact O-N 3.21Å; R354-V357 PolarHBondContact O-N 3.16Å; R354-A358 PolarHBondContact O-N 3.33Å
355Q92.3Very high92.5Very high108 Ų10871.6 Ų71.651%0.50538%0.376SS..Hα-helixtrans-66.6-38.4175.9-74.1165.7-35.100111.4L351 S352 A358 A359L351-Q355 HydrophobicContact CB-CB 3.92Å; L351-Q355 HydrophobicContact CD1-CB 4.21Å; L351-Q355 HydrophobicContact CD2-CB 4.32Å; L351-Q355 HydrophobicContact CG-CB 4.39Å; S352-Q355 VanDerWaalsContact N-OE1 3.08Å; S352-Q355 PolarHBondContact O-N 2.7Å; S352-Q355 WeakPolarHBondContact OG-CB 3.45Å; S352-Q355 VanDerWaalsContact OG-CG 3.26Å; S352-Q355 WeakPolarHBondContact OG-CG 3.34Å; S352-Q355 PolarHBondContact OG-N 3.13Å; S352-Q355 PolarHBondContact OG-OE1 2.78Å; Q355-A358 PolarHBondContact O-N 3.06Å; Q355-A359 WeakPolarHBondContact O-CB 3.48Å; Q355-A359 PolarHBondContact O-N 3.43Å
356A93Very high92.9Very high4 Ų475.9 Ų75.93%0.03340%0.399CS..Hα-helixtrans-63.6-41.8174.900000112.1F312 L314 L351 S352 M353 A359 Y360F312-A356 HydrophobicContact CB-CB 3.76Å; F312-A356 HydrophobicContact CD1-CB 3.6Å; F312-A356 HydrophobicContact CE1-CB 4.46Å; F312-A356 HydrophobicContact CG-CB 3.86Å; L314-A356 HydrophobicContact CD2-CB 4.32Å; L351-A356 HydrophobicContact CB-CB 4.16Å; S352-A356 PolarHBondContact O-N 3.47Å; M353-A356 PolarHBondContact O-N 3.08Å; A356-A359 PolarHBondContact O-N 2.91Å; A356-Y360 PolarHBondContact O-N 2.83Å
357V93.3Very high93.3Very high99 Ų9979.8 Ų79.860%0.641%0.409SS*.Hα-helixtrans-62.4-45.3174171.40000111.1M353 R354 Y360 Q361M353-V357 WeakPolarHBondContact O-CG2 3.44Å; M353-V357 PolarHBondContact O-N 2.98Å; R354-V357 PolarHBondContact O-N 3.16Å; V357-Y360 PolarHBondContact O-N 2.76Å; V357-Q361 WeakPolarHBondContact O-CB 3.14Å; V357-Q361 PolarHBondContact O-N 3.27Å
358A94.2Very high93.8Very high47 Ų4776.5 Ų76.539%0.38840%0.397SS..Hα-helixtrans-61.4-46.2176.600000111.7R354 Q355 Y360 Q361 D362R354-A358 PolarHBondContact O-N 3.33Å; Q355-A358 PolarHBondContact O-N 3.06Å; A358-Y360 VanDerWaalsContact C-N 3.34Å; A358-Y360 PolarHBondContact O-N 3.31Å; A358-Q361 PolarHBondContact O-N 3.02Å; A358-Q361 VanDerWaalsContact O-N 3.16Å; A358-D362 PolarHBondContact O-N 3.11Å
359A93.6Very high94.1Very high24 Ų2477.5 Ų77.520%0.19841%0.409CS..Hα-helixtrans-60-42.6177.300000112.1L314 L351 Q355 A356 Q363L314-A359 HydrophobicContact CD1-CB 4.3Å; L351-A359 HydrophobicContact CD1-CB 3.99Å; Q355-A359 WeakPolarHBondContact O-CB 3.48Å; Q355-A359 PolarHBondContact O-N 3.43Å; A356-A359 PolarHBondContact O-N 2.91Å; A359-Q363 WeakPolarHBondContact O-CB 3.37Å; A359-Q363 VanDerWaalsContact O-CG 3.25Å; A359-Q363 WeakPolarHBondContact O-CG 3.37Å; A359-Q363 PolarHBondContact O-N 3.48Å
360Y94.3Very high94.3Very high68 Ų6876.4 Ų76.427%0.26740%0.4SS..Hα-helixtrans-68.3-38174.6-78.4-35.7000113F312 L314 A356 V357 A358 D362 Q363 L364F312-Y360 AromaticContact CE1-CE2 3.59Å; F312-Y360 HydrophobicContact CE1-CE2 3.59Å; F312-Y360 AromaticContact CE1-CZ 3.81Å; F312-Y360 WeakPolarHBondContact CE1-OH 3.23Å; F312-Y360 AromaticContact CZ-CE2 3.74Å; F312-Y360 HydrophobicContact CZ-CE2 3.74Å; L314-Y360 HydrophobicContact CD2-CD1 4.45Å; L314-Y360 HydrophobicContact CD2-CE1 3.95Å; L314-Y360 HydrophobicContact CD2-CE2 4.21Å; A356-Y360 PolarHBondContact O-N 2.83Å; V357-Y360 PolarHBondContact O-N 2.76Å; A358-Y360 VanDerWaalsContact C-N 3.34Å; A358-Y360 PolarHBondContact O-N 3.31Å; Y360-D362 VanDerWaalsContact C-N 3.33Å; Y360-D362 PolarHBondContact O-N 3.2Å; Y360-Q363 PolarHBondContact O-N 3.33Å; Y360-L364 VanDerWaalsContact O-CB 3.29Å; Y360-L364 WeakPolarHBondContact O-CB 3.35Å; Y360-L364 VanDerWaalsContact O-CG 3.23Å; Y360-L364 WeakPolarHBondContact O-CG 3.44Å; Y360-L364 PolarHBondContact O-N 3.13Å
361Q95.6Very high94.5Very high99 Ų9977.7 Ų77.746%0.46341%0.411SS..Hα-helixtrans-61.5-44.5175.8-170.66532.100111.1V357 A358 L364 N365V357-Q361 WeakPolarHBondContact O-CB 3.14Å; V357-Q361 PolarHBondContact O-N 3.27Å; A358-Q361 PolarHBondContact O-N 3.02Å; A358-Q361 VanDerWaalsContact O-N 3.16Å; Q361-L364 PolarHBondContact O-N 2.91Å; Q361-N365 PolarHBondContact NE2-OD1 3.47Å; Q361-N365 WeakPolarHBondContact O-CB 3.48Å; Q361-N365 PolarHBondContact O-N 2.86Å; Q361-N365 PolarHBondContact O-ND2 3.3Å
362D96.2Very high94.8Very high107 Ų10781 Ų8157%0.57243%0.425SS*.Hα-helixtrans-66.2-43.8178.4-68.6-19.6000111.5A358 Y360 N365 L366A358-D362 PolarHBondContact O-N 3.11Å; Y360-D362 VanDerWaalsContact C-N 3.33Å; Y360-D362 PolarHBondContact O-N 3.2Å; D362-N365 PolarHBondContact O-N 2.94Å; D362-L366 WeakPolarHBondContact O-CB 3.39Å; D362-L366 PolarHBondContact O-N 2.98Å
363Q95Very high95.1Very high104 Ų10482.1 Ų82.149%0.48643%0.433SS..Hα-helixtrans-61.6-43.6175.6-76.1179.67.900112.1A359 Y360 K367A359-Q363 WeakPolarHBondContact O-CB 3.37Å; A359-Q363 VanDerWaalsContact O-CG 3.25Å; A359-Q363 WeakPolarHBondContact O-CG 3.37Å; A359-Q363 PolarHBondContact O-N 3.48Å; Y360-Q363 PolarHBondContact O-N 3.33Å; Q363-K367 VanDerWaalsContact O-CB 3.3Å; Q363-K367 WeakPolarHBondContact O-CB 3.43Å; Q363-K367 WeakPolarHBondContact O-CG 3.49Å; Q363-K367 PolarHBondContact O-N 2.7Å
364L96.1Very high95.5Very high114 Ų11485.8 Ų85.860%0.59745%0.45SS*.Hα-helixtrans-65.7-45177.9-75.2171.9000111.4Y360 Q361 S368Y360-L364 VanDerWaalsContact O-CB 3.29Å; Y360-L364 WeakPolarHBondContact O-CB 3.35Å; Y360-L364 VanDerWaalsContact O-CG 3.23Å; Y360-L364 WeakPolarHBondContact O-CG 3.44Å; Y360-L364 PolarHBondContact O-N 3.13Å; Q361-L364 PolarHBondContact O-N 2.91Å; L364-S368 WeakPolarHBondContact O-CB 3.34Å; L364-S368 PolarHBondContact O-N 2.89Å
365N96.9Very high95.9Very high89 Ų8984.1 Ų84.148%0.47645%0.449SS..Hα-helixtrans-61.6-47177.7-72.5-19.5000111.5Q361 D362 S368 S369Q361-N365 PolarHBondContact NE2-OD1 3.47Å; Q361-N365 WeakPolarHBondContact O-CB 3.48Å; Q361-N365 PolarHBondContact O-N 2.86Å; Q361-N365 PolarHBondContact O-ND2 3.3Å; D362-N365 PolarHBondContact O-N 2.94Å; N365-S368 PolarHBondContact O-N 3.01Å; N365-S369 WeakPolarHBondContact O-CB 3.45Å; N365-S369 PolarHBondContact O-N 2.88Å; N365-S369 PolarHBondContact O-OG 2.99Å
366L96.5Very high96.1Very high112 Ų11282.5 Ų82.559%0.58644%0.444SS*.Hα-helixtrans-61.6-52178.9-179.364.9000110.8D362 S368 S369 E370D362-L366 WeakPolarHBondContact O-CB 3.39Å; D362-L366 PolarHBondContact O-N 2.98Å; L366-S368 PolarHBondContact O-N 2.83Å; L366-S369 PolarHBondContact O-N 2.69Å; L366-S369 PolarHBondContact O-OG 3.1Å; L366-E370 PolarHBondContact O-N 3.36Å
367K96.8Very high96.3Very high120 Ų12088.2 Ų88.252%0.52247%0.469SS..Hα-helixtrans-63.9-39.8-179.2-73-73.3162.5-1580112.1Q363 S369 E370 T371Q363-K367 VanDerWaalsContact O-CB 3.3Å; Q363-K367 WeakPolarHBondContact O-CB 3.43Å; Q363-K367 WeakPolarHBondContact O-CG 3.49Å; Q363-K367 PolarHBondContact O-N 2.7Å; K367-S369 VanDerWaalsContact C-N 3.34Å; K367-S369 PolarHBondContact O-N 3Å; K367-E370 IonicContact NZ-OE2 3.14Å; K367-E370 PolarHBondContact NZ-OE2 2.82Å; K367-E370 PolarHBondContact O-N 3.41Å; K367-T371 WeakPolarHBondContact O-CG2 3.42Å; K367-T371 PolarHBondContact O-N 2.92Å; K367-T371 PolarHBondContact O-OG1 3.3Å
368S97.2Very high96.6Very high68 Ų6888.4 Ų88.448%0.47647%0.466SS..Hα-helixtrans-61.3-41.6174.4-173.10000112L364 N365 L366 T371 Q372L364-S368 WeakPolarHBondContact O-CB 3.34Å; L364-S368 PolarHBondContact O-N 2.89Å; N365-S368 PolarHBondContact O-N 3.01Å; L366-S368 PolarHBondContact O-N 2.83Å; S368-T371 WeakPolarHBondContact CA-OG1 3.25Å; S368-T371 PolarHBondContact O-OG1 3.46Å; S368-Q372 VanDerWaalsContact O-CB 3.29Å; S368-Q372 WeakPolarHBondContact O-CB 3.41Å; S368-Q372 PolarHBondContact O-N 2.98Å
369S97.5Very high96.7Very high69 Ų6991.1 Ų91.148%0.48347%0.471SS..Hα-helixtrans-68.6-38.8178.673.40000112.7N365 L366 K367 Q372 S373N365-S369 WeakPolarHBondContact O-CB 3.45Å; N365-S369 PolarHBondContact O-N 2.88Å; N365-S369 PolarHBondContact O-OG 2.99Å; L366-S369 PolarHBondContact O-N 2.69Å; L366-S369 PolarHBondContact O-OG 3.1Å; K367-S369 VanDerWaalsContact C-N 3.34Å; K367-S369 PolarHBondContact O-N 3Å; S369-Q372 PolarHBondContact O-N 3.23Å; S369-S373 PolarHBondContact O-N 3.28Å
370E97.3Very high96.9Very high86 Ų8695.2 Ų95.240%0.40249%0.493SS..Hα-helixtrans-63-47.7175.6-173.4179.9-172.800110.5L366 K367 Q372 S373 Q374L366-E370 PolarHBondContact O-N 3.36Å; K367-E370 IonicContact NZ-OE2 3.14Å; K367-E370 PolarHBondContact NZ-OE2 2.82Å; K367-E370 PolarHBondContact O-N 3.41Å; E370-Q372 PolarHBondContact O-N 3.37Å; E370-S373 PolarHBondContact O-N 3.38Å; E370-Q374 WeakPolarHBondContact O-CG 3.41Å; E370-Q374 PolarHBondContact O-N 3.5Å; E370-Q374 VanDerWaalsContact O-N 3.1Å
371T97.5Very high97.1Very high78 Ų7898.6 Ų98.648%0.47951%0.509SS..Hα-helixtrans-65.9-37.4177.252.10000112.6K367 S368 Q374 M375K367-T371 WeakPolarHBondContact O-CG2 3.42Å; K367-T371 PolarHBondContact O-N 2.92Å; K367-T371 PolarHBondContact O-OG1 3.3Å; S368-T371 WeakPolarHBondContact CA-OG1 3.25Å; S368-T371 PolarHBondContact O-OG1 3.46Å; T371-Q374 PolarHBondContact O-N 3.47Å; T371-M375 WeakPolarHBondContact O-CB 3.43Å; T371-M375 PolarHBondContact O-N 2.95Å
372Q97.7Very high97.2Very high114 Ų11498.4 Ų98.453%0.53351%0.511SS..Hα-helixtrans-63.2-43.8176.8-170.888.142.900111.1S368 S369 E370 M375 N376S368-Q372 VanDerWaalsContact O-CB 3.29Å; S368-Q372 WeakPolarHBondContact O-CB 3.41Å; S368-Q372 PolarHBondContact O-N 2.98Å; S369-Q372 PolarHBondContact O-N 3.23Å; E370-Q372 PolarHBondContact O-N 3.37Å; Q372-M375 PolarHBondContact O-N 2.92Å; Q372-N376 PolarHBondContact O-N 3.32Å; Q372-N376 PolarHBondContact O-ND2 3.19Å; Q372-N376 PolarHBondContact O-OD1 3.02Å
373S97.4Very high97.2Very high59 Ų5997.6 Ų97.641%0.41351%0.507SS..Hα-helixtrans-62.7-42.5177-176.70000111.8S369 E370 N376 Q377S369-S373 PolarHBondContact O-N 3.28Å; E370-S373 PolarHBondContact O-N 3.38Å; S373-N376 PolarHBondContact O-N 3.49Å; S373-Q377 WeakPolarHBondContact O-CG 3.43Å; S373-Q377 PolarHBondContact O-N 3.09Å; S373-Q377 PolarHBondContact OG-NE2 2.95Å
374Q97.5Very high97.4Very high102 Ų10294.6 Ų94.648%0.47750%0.504SS..Hα-helixtrans-63.1-42.5175.1-72.2178.1-5.700111.9E370 T371 Q377 I378E370-Q374 WeakPolarHBondContact O-CG 3.41Å; E370-Q374 PolarHBondContact O-N 3.5Å; E370-Q374 VanDerWaalsContact O-N 3.1Å; T371-Q374 PolarHBondContact O-N 3.47Å; Q374-Q377 PolarHBondContact O-N 2.91Å; Q374-I378 WeakPolarHBondContact O-CG1 3.3Å; Q374-I378 PolarHBondContact O-N 3.21Å
375M97.3Very high97.4Very high95 Ų9593.6 Ų93.647%0.46850%0.499SS..Hα-helixtrans-61.7-46.1177.3-172.262.4-167.300111.5T371 Q372 Q377 I378 E379T371-M375 WeakPolarHBondContact O-CB 3.43Å; T371-M375 PolarHBondContact O-N 2.95Å; Q372-M375 PolarHBondContact O-N 2.92Å; M375-Q377 VanDerWaalsContact C-N 3.28Å; M375-Q377 PolarHBondContact O-N 3.45Å; M375-I378 PolarHBondContact O-N 3Å; M375-I378 VanDerWaalsContact O-N 3.13Å; M375-E379 HydrophobicContact CE-CG 4.13Å; M375-E379 WeakPolarHBondContact O-CG 3.26Å; M375-E379 PolarHBondContact O-N 2.96Å
376N97.6Very high97.5Very high75 Ų7594.5 Ų94.540%0.40150%0.5SS..Hα-helixtrans-60.5-37.4176.9-65.9-12.5000112.1Q372 S373 E379 V380Q372-N376 PolarHBondContact O-N 3.32Å; Q372-N376 PolarHBondContact O-ND2 3.19Å; Q372-N376 PolarHBondContact O-OD1 3.02Å; S373-N376 PolarHBondContact O-N 3.49Å; N376-E379 PolarHBondContact O-N 3.35Å; N376-V380 WeakPolarHBondContact O-CG2 3.49Å; N376-V380 PolarHBondContact O-N 3.47Å; N376-V380 VanDerWaalsContact O-N 3.13Å
377Q97.7Very high97.5Very high123 Ų12393.6 Ų93.658%0.57550%0.495SS*.Hα-helixtrans-65.8-41.7175.2-72171.139.900111.9S373 Q374 M375 E379 V380 F381S373-Q377 WeakPolarHBondContact O-CG 3.43Å; S373-Q377 PolarHBondContact O-N 3.09Å; S373-Q377 PolarHBondContact OG-NE2 2.95Å; Q374-Q377 PolarHBondContact O-N 2.91Å; M375-Q377 VanDerWaalsContact C-N 3.28Å; M375-Q377 PolarHBondContact O-N 3.45Å; Q377-E379 VanDerWaalsContact C-N 3.34Å; Q377-V380 PolarHBondContact O-N 3.42Å; Q377-F381 WeakPolarHBondContact O-CB 3.28Å; Q377-F381 PolarHBondContact O-N 3.14Å
378I97.9Very high97.5Very high104 Ų10491 Ų9153%0.53349%0.491SS..Hα-helixtrans-63.3-41.5176.1-68.4167.9000110.5Q374 M375 F381 L382Q374-I378 WeakPolarHBondContact O-CG1 3.3Å; Q374-I378 PolarHBondContact O-N 3.21Å; M375-I378 PolarHBondContact O-N 3Å; M375-I378 VanDerWaalsContact O-N 3.13Å; I378-F381 PolarHBondContact O-N 3.41Å; I378-L382 WeakPolarHBondContact O-CB 3.48Å; I378-L382 PolarHBondContact O-N 3.2Å
379E97.8Very high97.5Very high103 Ų10392.6 Ų92.648%0.48149%0.491SS..Hα-helixtrans-61.4-44.7177.1-74179.3-176.700112.4M375 N376 Q377 F381 L382 N383M375-E379 HydrophobicContact CE-CG 4.13Å; M375-E379 WeakPolarHBondContact O-CG 3.26Å; M375-E379 PolarHBondContact O-N 2.96Å; N376-E379 PolarHBondContact O-N 3.35Å; Q377-E379 VanDerWaalsContact C-N 3.34Å; E379-F381 VanDerWaalsContact C-N 3.35Å; E379-L382 PolarHBondContact O-N 2.91Å; E379-N383 WeakPolarHBondContact O-CB 3.4Å; E379-N383 PolarHBondContact O-N 3.42Å
380V97.5Very high97.5Very high111 Ų11192.9 Ų92.967%0.67349%0.487SS*.Hα-helixtrans-63.5-42.3175.7173.40000111N376 Q377 N383 G384N376-V380 WeakPolarHBondContact O-CG2 3.49Å; N376-V380 PolarHBondContact O-N 3.47Å; N376-V380 VanDerWaalsContact O-N 3.13Å; Q377-V380 PolarHBondContact O-N 3.42Å; V380-N383 PolarHBondContact O-N 3.35Å; V380-G384 PolarHBondContact O-N 3.3Å
381F97.6Very high97.5Very high138 Ų13893.9 Ų93.961%0.60549%0.492SS*.Hα-helixtrans-65.6-42.5178-176-112.7000112.4Q377 I378 E379 N383 G384 L385Q377-F381 WeakPolarHBondContact O-CB 3.28Å; Q377-F381 PolarHBondContact O-N 3.14Å; I378-F381 PolarHBondContact O-N 3.41Å; E379-F381 VanDerWaalsContact C-N 3.35Å; F381-N383 VanDerWaalsContact C-N 3.35Å; F381-N383 PolarHBondContact O-N 3.43Å; F381-G384 PolarHBondContact O-N 3.26Å; F381-L385 HydrophobicContact CD1-CD1 3.88Å; F381-L385 HydrophobicContact CD1-CG 4.35Å; F381-L385 HydrophobicContact CE1-CD1 3.39Å; F381-L385 HydrophobicContact CE1-CG 3.98Å; F381-L385 HydrophobicContact CE2-CG 4.36Å; F381-L385 HydrophobicContact CZ-CD1 3.81Å; F381-L385 HydrophobicContact CZ-CD2 4.1Å; F381-L385 HydrophobicContact CZ-CG 3.97Å; F381-L385 PolarHBondContact O-N 3.46Å
382L97.7Very high97.4Very high95 Ų9596.4 Ų96.450%0.49750%0.5SS..Hα-helixtrans-58-47.4175-176.186.2000111I378 E379 G384 L385 Q386I378-L382 WeakPolarHBondContact O-CB 3.48Å; I378-L382 PolarHBondContact O-N 3.2Å; E379-L382 PolarHBondContact O-N 2.91Å; L382-G384 VanDerWaalsContact C-N 3.34Å; L382-G384 PolarHBondContact O-N 3.05Å; L382-L385 PolarHBondContact O-N 3.24Å; L382-Q386 WeakPolarHBondContact O-CG 3.36Å; L382-Q386 PolarHBondContact O-N 3.45Å
383N97.6Very high97.4Very high91 Ų9198 Ų9849%0.48750%0.501SS..Hα-helixtrans-59.6-45.7177.7-171-43.6000111E379 V380 F381 L385 Q386 I387E379-N383 WeakPolarHBondContact O-CB 3.4Å; E379-N383 PolarHBondContact O-N 3.42Å; V380-N383 PolarHBondContact O-N 3.35Å; F381-N383 VanDerWaalsContact C-N 3.35Å; F381-N383 PolarHBondContact O-N 3.43Å; N383-L385 PolarHBondContact O-N 3.03Å; N383-Q386 PolarHBondContact O-N 3.24Å; N383-I387 WeakPolarHBondContact O-CG1 3.38Å; N383-I387 PolarHBondContact O-N 2.91Å; N383-I387 VanDerWaalsContact OD1-CD1 3.25Å; N383-I387 WeakPolarHBondContact OD1-CD1 3.34Å
384G97.2Very high97.4Very high41 Ų4199.6 Ų99.642%0.42350%0.502SS..Hα-helixtrans-59.6-41.6174.800000113.6V380 F381 L382 C388V380-G384 PolarHBondContact O-N 3.3Å; F381-G384 PolarHBondContact O-N 3.26Å; L382-G384 VanDerWaalsContact C-N 3.34Å; L382-G384 PolarHBondContact O-N 3.05Å; G384-C388 WeakPolarHBondContact O-CB 3.42Å; G384-C388 PolarHBondContact O-N 3.04Å
385L97.6Very high97.2Very high92 Ų9299.8 Ų99.848%0.48251%0.505SS..Hα-helixtrans-64.8-41.2175.5-76.1179.7000112.3F381 L382 N383 C388 E389F381-L385 HydrophobicContact CD1-CD1 3.88Å; F381-L385 HydrophobicContact CD1-CG 4.35Å; F381-L385 HydrophobicContact CE1-CD1 3.39Å; F381-L385 HydrophobicContact CE1-CG 3.98Å; F381-L385 HydrophobicContact CE2-CG 4.36Å; F381-L385 HydrophobicContact CZ-CD1 3.81Å; F381-L385 HydrophobicContact CZ-CD2 4.1Å; F381-L385 HydrophobicContact CZ-CG 3.97Å; F381-L385 PolarHBondContact O-N 3.46Å; L382-L385 PolarHBondContact O-N 3.24Å; N383-L385 PolarHBondContact O-N 3.03Å; L385-C388 PolarHBondContact O-N 2.84Å; L385-E389 WeakPolarHBondContact O-CB 3.4Å; L385-E389 PolarHBondContact O-N 3.33Å
386Q98Very high97.1Very high108 Ų108103.2 Ų103.251%0.50551%0.513SS..Hα-helixtrans-65-41.4178.5-73.9175.1-31.800112.2L382 N383 E389 N390L382-Q386 WeakPolarHBondContact O-CG 3.36Å; L382-Q386 PolarHBondContact O-N 3.45Å; N383-Q386 PolarHBondContact O-N 3.24Å; Q386-E389 PolarHBondContact O-N 3.04Å; Q386-N390 WeakPolarHBondContact O-CB 3.33Å; Q386-N390 PolarHBondContact O-N 3.03Å
387I97.4Very high97Very high94 Ų94102.5 Ų102.548%0.48251%0.512SS..Hα-helixtrans-61.5-49.4173.8-66.6169.4000109.7N383 E389 N390 E391N383-I387 WeakPolarHBondContact O-CG1 3.38Å; N383-I387 PolarHBondContact O-N 2.91Å; N383-I387 VanDerWaalsContact OD1-CD1 3.25Å; N383-I387 WeakPolarHBondContact OD1-CD1 3.34Å; I387-E389 VanDerWaalsContact C-N 3.34Å; I387-E389 PolarHBondContact O-N 3.42Å; I387-N390 PolarHBondContact O-N 3.48Å; I387-E391 HydrophobicContact CG2-CG 4.39Å; I387-E391 WeakPolarHBondContact O-CG 3.29Å; I387-E391 PolarHBondContact O-N 3.43Å
388C96Very high97Very high65 Ų65101.9 Ų101.944%0.43951%0.51SS..Hα-helixtrans-57.6-45.6178.2-174.70000112G384 L385 N390 E391 M392G384-C388 WeakPolarHBondContact O-CB 3.42Å; G384-C388 PolarHBondContact O-N 3.04Å; L385-C388 PolarHBondContact O-N 2.84Å; C388-N390 VanDerWaalsContact C-N 3.34Å; C388-N390 PolarHBondContact O-N 3.45Å; C388-E391 PolarHBondContact O-N 2.91Å; C388-M392 WeakPolarHBondContact O-CB 3.37Å; C388-M392 VanDerWaalsContact O-CG 3.28Å; C388-M392 WeakPolarHBondContact O-CG 3.48Å; C388-M392 PolarHBondContact O-N 2.7Å
389E97.6Very high96.7Very high102 Ų102101.4 Ų101.448%0.47751%0.512SS..Hα-helixtrans-58-46.2176.8-171.8-161.916000111.6L385 Q386 I387 M392 R393L385-E389 WeakPolarHBondContact O-CB 3.4Å; L385-E389 PolarHBondContact O-N 3.33Å; Q386-E389 PolarHBondContact O-N 3.04Å; I387-E389 VanDerWaalsContact C-N 3.34Å; I387-E389 PolarHBondContact O-N 3.42Å; E389-M392 PolarHBondContact O-N 3.41Å; E389-R393 VanDerWaalsContact O-CB 3.3Å; E389-R393 WeakPolarHBondContact O-CB 3.44Å; E389-R393 PolarHBondContact O-N 3.13Å; E389-R393 IonicContact OE1-CZ 3Å; E389-R393 IonicContact OE1-NE 3.22Å; E389-R393 IonicContact OE1-NH2 2.96Å; E389-R393 PolarHBondContact OE1-NH2 2.82Å
390N96.7Very high96.7Very high74 Ų74101 Ų10140%0.39651%0.51SS..Hα-helixtrans-64.1-45.6179.2179.567.9000111.9Q386 I387 C388 M392 R393 Q394Q386-N390 WeakPolarHBondContact O-CB 3.33Å; Q386-N390 PolarHBondContact O-N 3.03Å; I387-N390 PolarHBondContact O-N 3.48Å; C388-N390 VanDerWaalsContact C-N 3.34Å; C388-N390 PolarHBondContact O-N 3.45Å; N390-M392 PolarHBondContact O-N 3.43Å; N390-R393 PolarHBondContact O-N 3.44Å; N390-Q394 PolarHBondContact ND2-NE2 2.92Å; N390-Q394 WeakPolarHBondContact O-CG 3.45Å; N390-Q394 PolarHBondContact O-N 3.28Å
391E97.4Very high96.6Very high108 Ų108100.1 Ų100.151%0.50550%0.502SS..Hα-helixtrans-60.8-43.8176-68-59129.700111.7I387 C388 R393 Q394 L395I387-E391 HydrophobicContact CG2-CG 4.39Å; I387-E391 WeakPolarHBondContact O-CG 3.29Å; I387-E391 PolarHBondContact O-N 3.43Å; C388-E391 PolarHBondContact O-N 2.91Å; E391-R393 VanDerWaalsContact C-N 3.33Å; E391-R393 PolarHBondContact O-N 3.21Å; E391-Q394 PolarHBondContact O-N 2.93Å; E391-L395 WeakPolarHBondContact O-CB 3.1Å; E391-L395 PolarHBondContact O-N 3.4Å
392M96.2Very high96.4Very high131 Ų13197.1 Ų97.165%0.64550%0.495SS*.Hα-helixtrans-62.7-40.2176.2-73.8-177.870.400112.1C388 E389 N390 L395 R396C388-M392 WeakPolarHBondContact O-CB 3.37Å; C388-M392 VanDerWaalsContact O-CG 3.28Å; C388-M392 WeakPolarHBondContact O-CG 3.48Å; C388-M392 PolarHBondContact O-N 2.7Å; E389-M392 PolarHBondContact O-N 3.41Å; N390-M392 PolarHBondContact O-N 3.43Å; M392-L395 PolarHBondContact O-N 3.48Å; M392-R396 WeakPolarHBondContact O-CB 3.48Å; M392-R396 PolarHBondContact O-N 2.9Å
393R97.8Very high96.2Very high146 Ų14694.9 Ų94.955%0.55149%0.489SS*.Hα-helixtrans-65.9-46.6178.4-170.3-179.7-61.2-78.71.6111E389 N390 E391 L395 R396 T397E389-R393 VanDerWaalsContact O-CB 3.3Å; E389-R393 WeakPolarHBondContact O-CB 3.44Å; E389-R393 PolarHBondContact O-N 3.13Å; E389-R393 IonicContact OE1-CZ 3Å; E389-R393 IonicContact OE1-NE 3.22Å; E389-R393 IonicContact OE1-NH2 2.96Å; E389-R393 PolarHBondContact OE1-NH2 2.82Å; N390-R393 PolarHBondContact O-N 3.44Å; E391-R393 VanDerWaalsContact C-N 3.33Å; E391-R393 PolarHBondContact O-N 3.21Å; R393-L395 VanDerWaalsContact C-N 3.35Å; R393-L395 PolarHBondContact O-N 3.44Å; R393-R396 PolarHBondContact O-N 3.07Å; R393-T397 PolarHBondContact O-N 3.05Å; R393-T397 PolarHBondContact O-OG1 3.01Å; R393-T397 VanDerWaalsContact O-OG1 3.14Å
394Q96.1Very high96.1Very high94 Ų9495.8 Ų95.844%0.43949%0.492SS..Hα-helixtrans-59.3-45.6175.7-71.6-178.812.900111.5N390 E391 R396 T397 M398N390-Q394 PolarHBondContact ND2-NE2 2.92Å; N390-Q394 WeakPolarHBondContact O-CG 3.45Å; N390-Q394 PolarHBondContact O-N 3.28Å; E391-Q394 PolarHBondContact O-N 2.93Å; Q394-R396 PolarHBondContact O-N 3.37Å; Q394-T397 PolarHBondContact O-N 2.97Å; Q394-M398 WeakPolarHBondContact O-CG 3.33Å; Q394-M398 PolarHBondContact O-N 3.45Å
395L94.7Very high96Very high105 Ų10596.7 Ų96.755%0.5550%0.495SS..Hα-helixtrans-60.8-44.2177.3-178.160.7000112.1E391 M392 R393 M398 V399E391-L395 WeakPolarHBondContact O-CB 3.1Å; E391-L395 PolarHBondContact O-N 3.4Å; M392-L395 PolarHBondContact O-N 3.48Å; R393-L395 VanDerWaalsContact C-N 3.35Å; R393-L395 PolarHBondContact O-N 3.44Å; L395-M398 HydrophobicContact CD1-CE 3.99Å; L395-M398 PolarHBondContact O-N 2.99Å; L395-V399 WeakPolarHBondContact O-CG2 3.37Å; L395-V399 PolarHBondContact O-N 3.31Å; L395-V399 VanDerWaalsContact O-N 3.09Å
396R95Very high95.6Very high168 Ų16898 Ų9863%0.63450%0.498SS*.Hα-helixtrans-60.8-47.7176.5174176.2-80.8-86.12.6111.5M392 R393 Q394 M398 V399 E400M392-R396 WeakPolarHBondContact O-CB 3.48Å; M392-R396 PolarHBondContact O-N 2.9Å; R393-R396 PolarHBondContact O-N 3.07Å; Q394-R396 PolarHBondContact O-N 3.37Å; R396-M398 VanDerWaalsContact C-N 3.34Å; R396-M398 PolarHBondContact O-N 3.13Å; R396-V399 PolarHBondContact O-N 3.33Å; R396-E400 VanDerWaalsContact CG-OE1 3.26Å; R396-E400 WeakPolarHBondContact CG-OE1 3.3Å; R396-E400 IonicContact NH1-OE1 3.67Å; R396-E400 PolarHBondContact NH1-OE1 3.42Å; R396-E400 WeakPolarHBondContact O-CG 3.37Å; R396-E400 PolarHBondContact O-N 2.74Å
397T96.3Very high95.3Very high60 Ų6097 Ų9737%0.36850%0.495SS..Hα-helixtrans-60.8-42.7178-60.70000111.3R393 Q394 V399 E400 D401R393-T397 PolarHBondContact O-N 3.05Å; R393-T397 PolarHBondContact O-OG1 3.01Å; R393-T397 VanDerWaalsContact O-OG1 3.14Å; Q394-T397 PolarHBondContact O-N 2.97Å; T397-V399 VanDerWaalsContact C-N 3.32Å; T397-V399 PolarHBondContact O-N 2.98Å; T397-E400 PolarHBondContact O-N 3.42Å; T397-D401 WeakPolarHBondContact CG2-OD2 3.42Å; T397-D401 WeakPolarHBondContact O-CB 3.25Å; T397-D401 VanDerWaalsContact O-CG 3.23Å; T397-D401 PolarHBondContact O-N 3.19Å
398M96.7Very high95.1Very high110 Ų11096.8 Ų96.854%0.54249%0.494SS..Hα-helixtrans-60.3-39.4175.6-73.3-168.8-62.800113Q394 L395 R396 T402Q394-M398 WeakPolarHBondContact O-CG 3.33Å; Q394-M398 PolarHBondContact O-N 3.45Å; L395-M398 HydrophobicContact CD1-CE 3.99Å; L395-M398 PolarHBondContact O-N 2.99Å; R396-M398 VanDerWaalsContact C-N 3.34Å; R396-M398 PolarHBondContact O-N 3.13Å; M398-T402 VanDerWaalsContact O-CB 3.23Å; M398-T402 WeakPolarHBondContact O-CB 3.38Å; M398-T402 PolarHBondContact O-N 3.24Å; M398-T402 PolarHBondContact O-OG1 2.97Å
399V92.5Very high94.9Very high94 Ų94100.8 Ų100.857%0.5750%0.5SS*.Hα-helixtrans-65.1-45.2176171.50000110.8L395 R396 T397 T402 A403L395-V399 WeakPolarHBondContact O-CG2 3.37Å; L395-V399 PolarHBondContact O-N 3.31Å; L395-V399 VanDerWaalsContact O-N 3.09Å; R396-V399 PolarHBondContact O-N 3.33Å; T397-V399 VanDerWaalsContact C-N 3.32Å; T397-V399 PolarHBondContact O-N 2.98Å; V399-T402 PolarHBondContact O-N 3.37Å; V399-A403 WeakPolarHBondContact O-CB 3.34Å; V399-A403 PolarHBondContact O-N 3.49Å
400E96.1Very high94.5Very high93 Ų9399.8 Ų99.844%0.43550%0.498SS..Hα-helixtrans-64.2-48179.2-71.9169.9-17300111.4R396 T397 T402 A403 M404R396-E400 VanDerWaalsContact CG-OE1 3.26Å; R396-E400 WeakPolarHBondContact CG-OE1 3.3Å; R396-E400 IonicContact NH1-OE1 3.67Å; R396-E400 PolarHBondContact NH1-OE1 3.42Å; R396-E400 WeakPolarHBondContact O-CG 3.37Å; R396-E400 PolarHBondContact O-N 2.74Å; T397-E400 PolarHBondContact O-N 3.42Å; E400-T402 VanDerWaalsContact C-N 3.34Å; E400-T402 PolarHBondContact O-N 2.97Å; E400-A403 PolarHBondContact O-N 2.93Å; E400-M404 WeakPolarHBondContact O-CG 3.29Å; E400-M404 PolarHBondContact O-N 2.88Å
401D95.9Very high94.3Very high94 Ų94101 Ų10150%0.50350%0.501SS..Hα-helixtrans-61-41.7177.3-70.1-16.1000111.8T397 M404 A405T397-D401 WeakPolarHBondContact CG2-OD2 3.42Å; T397-D401 WeakPolarHBondContact O-CB 3.25Å; T397-D401 VanDerWaalsContact O-CG 3.23Å; T397-D401 PolarHBondContact O-N 3.19Å; D401-M404 PolarHBondContact O-N 3.47Å; D401-A405 WeakPolarHBondContact O-CB 3.26Å; D401-A405 PolarHBondContact O-N 2.93Å
402T93.5Very high94.1Very high75 Ų75101.6 Ų101.646%0.4651%0.506SS..Hα-helixtrans-65.2-42.9177.5-60.20000111.1M398 V399 E400 A405 F406M398-T402 VanDerWaalsContact O-CB 3.23Å; M398-T402 WeakPolarHBondContact O-CB 3.38Å; M398-T402 PolarHBondContact O-N 3.24Å; M398-T402 PolarHBondContact O-OG1 2.97Å; V399-T402 PolarHBondContact O-N 3.37Å; E400-T402 VanDerWaalsContact C-N 3.34Å; E400-T402 PolarHBondContact O-N 2.97Å; T402-A405 PolarHBondContact O-N 3.1Å; T402-F406 HydrophobicContact CG2-CD2 3.91Å; T402-F406 HydrophobicContact CG2-CE2 3.52Å; T402-F406 WeakPolarHBondContact O-CD2 3.07Å; T402-F406 PolarHBondContact O-N 3.36Å; T402-F406 VanDerWaalsContact O-N 3.1Å
403A94.4Very high93.8Very high47 Ų4797.4 Ų97.439%0.38849%0.485SS..Hα-helixtrans-62.6-43.2176.100000111.5V399 E400 F406 I407V399-A403 WeakPolarHBondContact O-CB 3.34Å; V399-A403 PolarHBondContact O-N 3.49Å; E400-A403 PolarHBondContact O-N 2.93Å; A403-F406 PolarHBondContact O-N 3.43Å; A403-I407 WeakPolarHBondContact O-CG1 3.23Å; A403-I407 PolarHBondContact O-N 3.45Å
404M95.8Very high93.5Very high111 Ų11197.6 Ų97.655%0.54749%0.486SS..Hα-helixtrans-60.8-45175-75.2-17854.600112.1E400 D401 F406 I407 D408E400-M404 WeakPolarHBondContact O-CG 3.29Å; E400-M404 PolarHBondContact O-N 2.88Å; D401-M404 PolarHBondContact O-N 3.47Å; M404-F406 VanDerWaalsContact C-N 3.28Å; M404-F406 PolarHBondContact O-N 2.95Å; M404-I407 WeakPolarHBondContact O-CB 3.33Å; M404-I407 PolarHBondContact O-N 2.99Å; M404-I407 VanDerWaalsContact O-N 3.11Å; M404-D408 PolarHBondContact O-N 3.27Å
405A93.5Very high93.3Very high59 Ų5996 Ų9649%0.48849%0.488SS..Hα-helixtrans-60.2-36.7177.100000112.7D401 T402 R409D401-A405 WeakPolarHBondContact O-CB 3.26Å; D401-A405 PolarHBondContact O-N 2.93Å; T402-A405 PolarHBondContact O-N 3.1Å; A405-R409 WeakPolarHBondContact O-CB 3.44Å; A405-R409 PolarHBondContact O-N 3.5Å
406F90.5Very high93.1Very high121 Ų12196.8 Ų96.853%0.53149%0.487SS..Hα-helixtrans-68.1-41.8173.2-76.8-59.2000112.6T402 A403 M404 D408 R409 I410T402-F406 HydrophobicContact CG2-CD2 3.91Å; T402-F406 HydrophobicContact CG2-CE2 3.52Å; T402-F406 WeakPolarHBondContact O-CD2 3.07Å; T402-F406 PolarHBondContact O-N 3.36Å; T402-F406 VanDerWaalsContact O-N 3.1Å; A403-F406 PolarHBondContact O-N 3.43Å; M404-F406 VanDerWaalsContact C-N 3.28Å; M404-F406 PolarHBondContact O-N 2.95Å; F406-D408 VanDerWaalsContact C-N 3.34Å; F406-R409 PolarHBondContact O-N 3.01Å; F406-I410 WeakPolarHBondContact O-CB 3.08Å; F406-I410 WeakPolarHBondContact O-CG1 3.33Å; F406-I410 PolarHBondContact O-N 3.34Å
407I91.9Very high92.8Very high86 Ų8689.7 Ų89.744%0.44146%0.462SS..Hα-helixtrans-60.5-45.1175.4-69.9165.8000110.3A403 M404 R409 I410 H411A403-I407 WeakPolarHBondContact O-CG1 3.23Å; A403-I407 PolarHBondContact O-N 3.45Å; M404-I407 WeakPolarHBondContact O-CB 3.33Å; M404-I407 PolarHBondContact O-N 2.99Å; M404-I407 VanDerWaalsContact O-N 3.11Å; I407-R409 PolarHBondContact O-N 3.42Å; I407-I410 WeakPolarHBondContact O-CB 3.36Å; I407-I410 PolarHBondContact O-N 2.99Å; I407-H411 VanDerWaalsContact CG2-CD2 3.48Å; I407-H411 WeakPolarHBondContact CG2-CD2 3.4Å; I407-H411 PolarHBondContact O-CD2 3.32Å; I407-H411 PolarHBondContact O-N 2.76Å
408D93.3Very high92.5Very high89 Ų8989.9 Ų89.948%0.47647%0.465SS..Hα-helixtrans-62.7-43.3177.2-73.3-17.8000111.7M404 F406 I410 H411 I412M404-D408 PolarHBondContact O-N 3.27Å; F406-D408 VanDerWaalsContact C-N 3.34Å; D408-I410 VanDerWaalsContact C-N 3.29Å; D408-I410 PolarHBondContact O-N 3.44Å; D408-H411 PolarHBondContact O-N 2.91Å; D408-H411 VanDerWaalsContact O-N 3.15Å; D408-I412 VanDerWaalsContact O-CG1 3.32Å; D408-I412 WeakPolarHBondContact O-CG1 3.33Å; D408-I412 PolarHBondContact O-N 2.83Å
409R91.1Very high92.1Very high149 Ų14989.2 Ų89.256%0.56246%0.46SS*.Hα-helixtrans-60.4-40.4174.9-177173.9174.3152.5-3.2111.8A405 F406 I407 Q413A405-R409 WeakPolarHBondContact O-CB 3.44Å; A405-R409 PolarHBondContact O-N 3.5Å; F406-R409 PolarHBondContact O-N 3.01Å; I407-R409 PolarHBondContact O-N 3.42Å; R409-Q413 VanDerWaalsContact O-CB 3.32Å; R409-Q413 WeakPolarHBondContact O-CB 3.42Å; R409-Q413 PolarHBondContact O-N 2.96Å
410I90.3Very high91.9Very high82 Ų8288.7 Ų88.742%0.42145%0.452SS..Hα-helixtrans-61.9-45174-78.7169.5000110.6F406 I407 D408 Q413 R414 L568F406-I410 WeakPolarHBondContact O-CB 3.08Å; F406-I410 WeakPolarHBondContact O-CG1 3.33Å; F406-I410 PolarHBondContact O-N 3.34Å; I407-I410 WeakPolarHBondContact O-CB 3.36Å; I407-I410 PolarHBondContact O-N 2.99Å; D408-I410 VanDerWaalsContact C-N 3.29Å; D408-I410 PolarHBondContact O-N 3.44Å; I410-Q413 PolarHBondContact O-N 3.16Å; I410-R414 WeakPolarHBondContact O-CB 3.35Å; I410-R414 PolarHBondContact O-N 2.94Å; I410-L568 HydrophobicContact CB-CD1 4.14Å; I410-L568 HydrophobicContact CG1-CD1 4.16Å; I410-L568 HydrophobicContact CG2-CD1 3.57Å
411H92.4Very high91.5Very high99 Ų9987 Ų8746%0.45845%0.447SS..Hα-helixtrans-64.5-44.8177.4-77.5-62.6000112.8I407 D408 Q413 R414 A415I407-H411 VanDerWaalsContact CG2-CD2 3.48Å; I407-H411 WeakPolarHBondContact CG2-CD2 3.4Å; I407-H411 PolarHBondContact O-CD2 3.32Å; I407-H411 PolarHBondContact O-N 2.76Å; D408-H411 PolarHBondContact O-N 2.91Å; D408-H411 VanDerWaalsContact O-N 3.15Å; H411-Q413 VanDerWaalsContact C-N 3.33Å; H411-Q413 PolarHBondContact O-N 2.88Å; H411-R414 WeakPolarHBondContact O-CB 3.4Å; H411-R414 PolarHBondContact O-N 2.86Å; H411-A415 WeakPolarHBondContact O-CB 3.2Å; H411-A415 PolarHBondContact O-N 3.38Å
412I91.7Very high91Very high121 Ų12184.9 Ų84.962%0.62144%0.436SS*.Hα-helixtrans-61-44.7175.9-68.5166.7000110.1D408 A415 K416D408-I412 VanDerWaalsContact O-CG1 3.32Å; D408-I412 WeakPolarHBondContact O-CG1 3.33Å; D408-I412 PolarHBondContact O-N 2.83Å; I412-A415 PolarHBondContact O-N 2.92Å; I412-K416 WeakPolarHBondContact O-CB 3.33Å; I412-K416 PolarHBondContact O-N 3.49Å
413Q90.3Very high90.6Very high42 Ų4288.2 Ų88.220%0.19644%0.444CS..Hα-helixtrans-66-41.1179-173.4171.1-2.500112R409 I410 H411 K416 L417 N567 L568 G569R409-Q413 VanDerWaalsContact O-CB 3.32Å; R409-Q413 WeakPolarHBondContact O-CB 3.42Å; R409-Q413 PolarHBondContact O-N 2.96Å; I410-Q413 PolarHBondContact O-N 3.16Å; H411-Q413 VanDerWaalsContact C-N 3.33Å; H411-Q413 PolarHBondContact O-N 2.88Å; Q413-K416 PolarHBondContact O-N 3.4Å; Q413-L417 HydrophobicContact CG-CD1 4.11Å; Q413-L417 WeakPolarHBondContact O-CG 3.44Å; Q413-L417 PolarHBondContact O-N 3.25Å; Q413-N567 VanDerWaalsContact NE2-C 3.35Å; Q413-N567 PolarHBondContact NE2-O 2.73Å; Q413-N567 VanDerWaalsContact OE1-C 3.31Å; Q413-N567 PolarHBondContact OE1-O 3.16Å; Q413-L568 HydrophobicContact CG-CB 4.02Å; Q413-G569 PolarHBondContact NE2-O 3.37Å
414R91.3Very high90Very high151 Ų15188.5 Ų88.557%0.5744%0.438SS*.Hα-helixtrans-56.2-51.6172.1174.5-169166.5-165.1-5110.7I410 H411 K416 L417 C418 L568I410-R414 WeakPolarHBondContact O-CB 3.35Å; I410-R414 PolarHBondContact O-N 2.94Å; H411-R414 WeakPolarHBondContact O-CB 3.4Å; H411-R414 PolarHBondContact O-N 2.86Å; R414-K416 VanDerWaalsContact C-N 3.32Å; R414-K416 PolarHBondContact O-N 3.02Å; R414-L417 PolarHBondContact O-N 3.09Å; R414-C418 PolarHBondContact O-N 3.26Å; R414-C418 PolarHBondContact O-SG 3.47Å; R414-C418 VanDerWaalsContact O-SG 3.4Å; R414-L568 HydrophobicContact CB-CD2 4.09Å
415A91.5Very high89.2Confident59 Ų5984.1 Ų84.149%0.48842%0.416SS..Hα-helixtrans-58.5-44.5-179.600000111.5H411 I412 L417 C418 E419H411-A415 WeakPolarHBondContact O-CB 3.2Å; H411-A415 PolarHBondContact O-N 3.38Å; I412-A415 PolarHBondContact O-N 2.92Å; A415-L417 PolarHBondContact O-N 2.89Å; A415-C418 PolarHBondContact O-N 3.27Å; A415-E419 WeakPolarHBondContact O-CB 3.47Å; A415-E419 PolarHBondContact O-N 2.87Å
416K91.3Very high88.6Confident123 Ų12382.9 Ų82.954%0.53541%0.409SS..Hα-helixtrans-61-42176.6-175.9177.8-179.91780112.8I412 Q413 R414 Q420I412-K416 WeakPolarHBondContact O-CB 3.33Å; I412-K416 PolarHBondContact O-N 3.49Å; Q413-K416 PolarHBondContact O-N 3.4Å; R414-K416 VanDerWaalsContact C-N 3.32Å; R414-K416 PolarHBondContact O-N 3.02Å; K416-Q420 VanDerWaalsContact O-CG 3.29Å; K416-Q420 WeakPolarHBondContact O-CG 3.36Å; K416-Q420 PolarHBondContact O-N 3.06Å
417L89.5Confident88.3Confident19 Ų1977.4 Ų77.410%0.09939%0.386CS..Hα-helixtrans-68.8-40.6178.3-74.5164.9000111.9Q413 R414 A415 Q420 V421 F561 L568 I571Q413-L417 HydrophobicContact CG-CD1 4.11Å; Q413-L417 WeakPolarHBondContact O-CG 3.44Å; Q413-L417 PolarHBondContact O-N 3.25Å; R414-L417 PolarHBondContact O-N 3.09Å; A415-L417 PolarHBondContact O-N 2.89Å; L417-Q420 WeakPolarHBondContact O-CB 3.41Å; L417-Q420 PolarHBondContact O-N 3.04Å; L417-V421 WeakPolarHBondContact O-CG2 3.26Å; L417-V421 PolarHBondContact O-N 3.4Å; L417-F561 HydrophobicContact CD1-CE2 3.72Å; L417-F561 HydrophobicContact CD1-CZ 4.3Å; L417-L568 HydrophobicContact CD1-CD2 3.7Å; L417-I571 HydrophobicContact CD2-CD1 4.2Å; L417-I571 HydrophobicContact CD2-CG1 4.15Å
418C89Confident88Confident63 Ų6378.2 Ų78.243%0.42639%0.388SS..Hα-helixtrans-62.9-46.6173.6-680000111.3R414 A415 Q420 V421 D422R414-C418 PolarHBondContact O-N 3.26Å; R414-C418 PolarHBondContact O-SG 3.47Å; R414-C418 VanDerWaalsContact O-SG 3.4Å; A415-C418 PolarHBondContact O-N 3.27Å; C418-Q420 PolarHBondContact O-N 3.41Å; C418-V421 WeakPolarHBondContact O-CA 3.35Å; C418-V421 WeakPolarHBondContact O-CB 3.19Å; C418-V421 PolarHBondContact O-N 2.84Å; C418-D422 PolarHBondContact O-N 3.41Å
419E89Confident87.7Confident96 Ų9679.8 Ų79.845%0.44940%0.395SS..Hα-helixtrans-60.4-35176.3-171.4-170.5-177.900111.9A415 D422 K423A415-E419 WeakPolarHBondContact O-CB 3.47Å; A415-E419 PolarHBondContact O-N 2.87Å; E419-D422 PolarHBondContact O-N 2.76Å; E419-K423 VanDerWaalsContact CD-NZ 3.34Å; E419-K423 HydrophobicContact CG-CD 4.2Å; E419-K423 HydrophobicContact CG-CG 4.47Å; E419-K423 WeakPolarHBondContact O-CB 3.35Å; E419-K423 VanDerWaalsContact O-CG 3.32Å; E419-K423 WeakPolarHBondContact O-CG 3.3Å; E419-K423 PolarHBondContact O-N 3.17Å; E419-K423 WeakPolarHBondContact OE1-CE 3.43Å; E419-K423 IonicContact OE1-NZ 2.61Å; E419-K423 PolarHBondContact OE1-NZ 3.2Å
420Q88.4Confident87.6Confident84 Ų8478.1 Ų78.139%0.39340%0.398SS..Hα-helixtrans-60.7-43.8171.9-78.3175.17.200111.6K416 L417 C418 K423 M424 I571K416-Q420 VanDerWaalsContact O-CG 3.29Å; K416-Q420 WeakPolarHBondContact O-CG 3.36Å; K416-Q420 PolarHBondContact O-N 3.06Å; L417-Q420 WeakPolarHBondContact O-CB 3.41Å; L417-Q420 PolarHBondContact O-N 3.04Å; C418-Q420 PolarHBondContact O-N 3.41Å; Q420-K423 PolarHBondContact O-N 3.01Å; Q420-M424 VanDerWaalsContact O-CG 3.26Å; Q420-M424 WeakPolarHBondContact O-CG 3.27Å; Q420-M424 PolarHBondContact O-N 2.88Å; Q420-M424 VanDerWaalsContact O-N 3.15Å; Q420-I571 HydrophobicContact CB-CD1 4.28Å
421V86.9Confident87.4Confident57 Ų5777.5 Ų77.535%0.34539%0.393SS..Hα-helixtrans-62.4-47.3176.5177.50000111L417 C418 K423 M424 I571L417-V421 WeakPolarHBondContact O-CG2 3.26Å; L417-V421 PolarHBondContact O-N 3.4Å; C418-V421 WeakPolarHBondContact O-CA 3.35Å; C418-V421 WeakPolarHBondContact O-CB 3.19Å; C418-V421 PolarHBondContact O-N 2.84Å; V421-K423 VanDerWaalsContact C-N 3.35Å; V421-K423 PolarHBondContact O-N 3.42Å; V421-M424 WeakPolarHBondContact O-CB 3.44Å; V421-M424 PolarHBondContact O-N 3.41Å; V421-I571 HydrophobicContact CG2-CD1 3.55Å
422D85.9Confident87.2Confident50 Ų5074.5 Ų74.527%0.26738%0.38SS..Hα-helixtrans-63.2-40.8-179.7-64.1-40.5000111.6C418 E419 M424 G426C418-D422 PolarHBondContact O-N 3.41Å; E419-D422 PolarHBondContact O-N 2.76Å; D422-M424 VanDerWaalsContact C-N 3.33Å; D422-M424 PolarHBondContact O-N 2.84Å; D422-G426 PolarHBondContact O-N 3.07Å
423K84.5Confident87.1Confident144 Ų14471.6 Ų71.663%0.62637%0.368SS*.Hα-helixtrans-67.5-26177.2-77.4179.4-178.3169.50114.2E419 Q420 V421 F425E419-K423 VanDerWaalsContact CD-NZ 3.34Å; E419-K423 HydrophobicContact CG-CD 4.2Å; E419-K423 HydrophobicContact CG-CG 4.47Å; E419-K423 WeakPolarHBondContact O-CB 3.35Å; E419-K423 VanDerWaalsContact O-CG 3.32Å; E419-K423 WeakPolarHBondContact O-CG 3.3Å; E419-K423 PolarHBondContact O-N 3.17Å; E419-K423 WeakPolarHBondContact OE1-CE 3.43Å; E419-K423 IonicContact OE1-NZ 2.61Å; E419-K423 PolarHBondContact OE1-NZ 3.2Å; Q420-K423 PolarHBondContact O-N 3.01Å; V421-K423 VanDerWaalsContact C-N 3.35Å; V421-K423 PolarHBondContact O-N 3.42Å; K423-F425 PolarHBondContact O-N 3.29Å
424M83Confident87.1Confident54 Ų5473 Ų7327%0.26638%0.38SS..Hα-helixtrans-60.2-28.5-179.2-78.4172.975.300112.9Q420 V421 D422 R557Q420-M424 VanDerWaalsContact O-CG 3.26Å; Q420-M424 WeakPolarHBondContact O-CG 3.27Å; Q420-M424 PolarHBondContact O-N 2.88Å; Q420-M424 VanDerWaalsContact O-N 3.15Å; V421-M424 WeakPolarHBondContact O-CB 3.44Å; V421-M424 PolarHBondContact O-N 3.41Å; D422-M424 VanDerWaalsContact C-N 3.33Å; D422-M424 PolarHBondContact O-N 2.84Å; M424-R557 WeakPolarHBondContact CE-O 3.32Å
425F77.7Confident87Confident18 Ų1866 Ų668%0.07935%0.354CS..Hα-helixtrans-123.6-10.7-178.6-53.7-73.3000114.1K423 V427 F498 W554 R557 I558K423-F425 PolarHBondContact O-N 3.29Å; F425-V427 PolarHBondContact O-N 3.24Å; F425-F498 HydrophobicContact CB-CD2 4.09Å; F425-F498 HydrophobicContact CG-CD2 4.49Å; F425-W554 AromaticContact CD1-CZ3 3.93Å; F425-W554 HydrophobicContact CD1-CZ3 3.93Å; F425-W554 HydrophobicContact CE1-CE3 4.09Å; F425-W554 AromaticContact CE1-CZ3 3.5Å; F425-W554 HydrophobicContact CE1-CZ3 3.5Å; F425-W554 VanDerWaalsContact CE1-CZ3 3.5Å; F425-W554 HydrophobicContact CZ-CE3 4.16Å; F425-W554 AromaticContact CZ-CZ3 3.99Å; F425-W554 HydrophobicContact CZ-CZ3 3.99Å; F425-R557 HydrophobicContact CE1-CG 3.73Å; F425-R557 HydrophobicContact CZ-CG 3.91Å; F425-I558 HydrophobicContact CE2-CG1 3.72Å; F425-I558 HydrophobicContact CZ-CG1 3.61Å
426G80.4Confident86.9Confident34 Ų3466.1 Ų66.135%0.35135%0.35SS..THydrogen-bonded Turntrans76.96.4177.700000114.2D422D422-G426 PolarHBondContact O-N 3.07Å
427V84.3Confident86.9Confident5 Ų564.6 Ų64.63%0.0335%0.348CS..SBendtrans-130.2129.2179-175.50000107.4F425 Q431 I432 W495 F498F425-V427 PolarHBondContact O-N 3.24Å; V427-Q431 HydrophobicContact CG1-CB 3.8Å; V427-I432 HydrophobicContact CB-CD1 4.48Å; V427-I432 HydrophobicContact CB-CG1 4.34Å; V427-I432 HydrophobicContact CG1-CD1 4.34Å; V427-I432 HydrophobicContact CG1-CG1 3.7Å; V427-W495 HydrophobicContact CG1-CD2 4.23Å; V427-W495 HydrophobicContact CG1-CH2 3.96Å; V427-W495 HydrophobicContact CG1-CZ2 3.59Å; V427-W495 HydrophobicContact CG1-CZ3 4.38Å; V427-W495 HydrophobicContact CG2-CD2 3.94Å; V427-W495 HydrophobicContact CG2-CE3 4.27Å; V427-W495 HydrophobicContact CG2-CG 4.12Å; V427-F498 HydrophobicContact CG2-CB 4.04Å
428E86.6Confident86.9Confident103 Ų10365.6 Ų65.648%0.48135%0.35SS..  trans-69.8148.2178.3-65.1169.7164.400111D430 Q431 I432E428-D430 PolarHBondContact O-N 3.49Å; E428-D430 VanDerWaalsContact O-N 3.16Å; E428-Q431 HydrophobicContact CB-CG 4.22Å; E428-Q431 WeakPolarHBondContact O-CB 3.25Å; E428-Q431 PolarHBondContact O-N 3.03Å; E428-Q431 PolarHBondContact OE2-NE2 3.03Å; E428-I432 PolarHBondContact O-N 3.46Å
429L87.3Confident86.9Confident122 Ų12265.8 Ų65.864%0.63935%0.347SS*.Hα-helixtrans-54.8-36179.4179.562.4000113.1Q431 I432 T433L429-Q431 VanDerWaalsContact C-N 3.35Å; L429-I432 PolarHBondContact O-N 2.88Å; L429-T433 WeakPolarHBondContact O-CB 3.11Å; L429-T433 PolarHBondContact O-N 2.89Å; L429-T433 PolarHBondContact O-OG1 3.47Å
430D87.7Confident87Confident115 Ų11566 Ų6662%0.61535%0.35SS*.Hα-helixtrans-67.3-35.5-180-166.945.6000112.3E428 T433 T434E428-D430 PolarHBondContact O-N 3.49Å; E428-D430 VanDerWaalsContact O-N 3.16Å; D430-T433 PolarHBondContact O-N 2.8Å; D430-T434 WeakPolarHBondContact O-CB 3.24Å; D430-T434 PolarHBondContact O-N 2.97Å; D430-T434 PolarHBondContact O-OG1 2.89Å
431Q87.8Confident87.1Confident68 Ų6865.2 Ų65.232%0.31835%0.354SS..Hα-helixtrans-68.3-41.5176-61.9176.52600111.1V427 E428 L429 T434 E435 W495V427-Q431 HydrophobicContact CG1-CB 3.8Å; E428-Q431 HydrophobicContact CB-CG 4.22Å; E428-Q431 WeakPolarHBondContact O-CB 3.25Å; E428-Q431 PolarHBondContact O-N 3.03Å; E428-Q431 PolarHBondContact OE2-NE2 3.03Å; L429-Q431 VanDerWaalsContact C-N 3.35Å; Q431-T434 PolarHBondContact O-N 3.48Å; Q431-E435 PolarHBondContact O-N 2.88Å; Q431-W495 HydrophobicContact CB-CZ2 4.25Å
432I87.6Confident87.3Confident37 Ų3762.9 Ų62.919%0.1934%0.34CS..Hα-helixtrans-61.9-47.2173.9-59.8174.6000110.2V427 E428 L429 T434 E435 C436 W495 F498V427-I432 HydrophobicContact CB-CD1 4.48Å; V427-I432 HydrophobicContact CB-CG1 4.34Å; V427-I432 HydrophobicContact CG1-CD1 4.34Å; V427-I432 HydrophobicContact CG1-CG1 3.7Å; E428-I432 PolarHBondContact O-N 3.46Å; L429-I432 PolarHBondContact O-N 2.88Å; I432-T434 VanDerWaalsContact C-N 3.34Å; I432-T434 PolarHBondContact O-N 3.36Å; I432-E435 PolarHBondContact O-N 2.94Å; I432-C436 WeakPolarHBondContact O-CB 3.26Å; I432-C436 PolarHBondContact O-N 2.79Å; I432-C436 PolarHBondContact O-SG 3.26Å; I432-W495 HydrophobicContact CG1-CH2 4.08Å; I432-W495 HydrophobicContact CG1-CZ3 4.47Å; I432-F498 HydrophobicContact CD1-CD2 4.23Å; I432-F498 HydrophobicContact CD1-CE2 3.74Å; I432-F498 HydrophobicContact CD1-CZ 4.14Å
433T90.2Very high87.5Confident60 Ų6063.7 Ų63.737%0.36835%0.347SS..Hα-helixtrans-60.3-44.6179.7-57.30000111.3L429 D430 C436 N437L429-T433 WeakPolarHBondContact O-CB 3.11Å; L429-T433 PolarHBondContact O-N 2.89Å; L429-T433 PolarHBondContact O-OG1 3.47Å; D430-T433 PolarHBondContact O-N 2.8Å; T433-C436 PolarHBondContact O-N 2.88Å; T433-N437 WeakPolarHBondContact O-CB 3.04Å; T433-N437 VanDerWaalsContact O-CG 3.25Å; T433-N437 PolarHBondContact O-N 2.94Å; T433-N437 PolarHBondContact O-ND2 3.37Å; T433-N437 VanDerWaalsContact O-ND2 3.12Å
434T89.8Confident87.8Confident72 Ų7260 Ų6044%0.44234%0.337SS..Hα-helixtrans-61.6-46.2177.6-60.60000111.5D430 Q431 I432 N437 R438D430-T434 WeakPolarHBondContact O-CB 3.24Å; D430-T434 PolarHBondContact O-N 2.97Å; D430-T434 PolarHBondContact O-OG1 2.89Å; Q431-T434 PolarHBondContact O-N 3.48Å; I432-T434 VanDerWaalsContact C-N 3.34Å; I432-T434 PolarHBondContact O-N 3.36Å; T434-N437 PolarHBondContact O-N 2.57Å; T434-R438 WeakPolarHBondContact O-CB 3.44Å; T434-R438 PolarHBondContact O-N 2.78Å
435E88.4Confident88.1Confident4 Ų458.7 Ų58.72%0.01933%0.334CS..Hα-helixtrans-67.7-38.9177.8-80.8-59101.200113Q431 I432 N437 R438 L439 I489 W495Q431-E435 PolarHBondContact O-N 2.88Å; I432-E435 PolarHBondContact O-N 2.94Å; E435-N437 VanDerWaalsContact C-N 3.34Å; E435-N437 PolarHBondContact O-N 2.95Å; E435-R438 VanDerWaalsContact CD-NE 3.34Å; E435-R438 PolarHBondContact O-N 2.84Å; E435-R438 WeakPolarHBondContact OE1-CD 3.26Å; E435-R438 IonicContact OE1-CZ 3.55Å; E435-R438 IonicContact OE1-NE 2.83Å; E435-R438 PolarHBondContact OE1-NE 3.37Å; E435-R438 IonicContact OE2-CZ 3.24Å; E435-R438 VanDerWaalsContact OE2-CZ 3.31Å; E435-R438 IonicContact OE2-NE 2.83Å; E435-R438 PolarHBondContact OE2-NE 3.13Å; E435-R438 IonicContact OE2-NH2 2.7Å; E435-R438 PolarHBondContact OE2-NH2 3.42Å; E435-L439 WeakPolarHBondContact O-CB 3.15Å; E435-L439 WeakPolarHBondContact O-CG 3.43Å; E435-L439 PolarHBondContact O-N 3.09Å; E435-I489 VanDerWaalsContact CD-CD1 3.48Å; E435-I489 VanDerWaalsContact CD-CG1 3.5Å; E435-I489 HydrophobicContact CG-CB 4.11Å; E435-I489 HydrophobicContact CG-CD1 3.92Å; E435-I489 HydrophobicContact CG-CG1 4.23Å; E435-I489 WeakPolarHBondContact OE1-CD1 3.37Å; E435-I489 VanDerWaalsContact OE1-CG1 3.24Å; E435-I489 WeakPolarHBondContact OE1-CG1 3.47Å; E435-W495 HydrophobicContact CB-CH2 4.03Å; E435-W495 HydrophobicContact CB-CZ2 4.37Å; E435-W495 HydrophobicContact CG-CH2 3.95Å; E435-W495 HydrophobicContact CG-CZ2 3.81Å
436C90.2Very high88.6Confident61 Ų6163.3 Ų63.341%0.41235%0.351SS..Hα-helixtrans-57.9-48.1172.5-74.90000110.9I432 T433 R438 L439 I440I432-C436 WeakPolarHBondContact O-CB 3.26Å; I432-C436 PolarHBondContact O-N 2.79Å; I432-C436 PolarHBondContact O-SG 3.26Å; T433-C436 PolarHBondContact O-N 2.88Å; C436-R438 VanDerWaalsContact C-N 3.31Å; C436-R438 PolarHBondContact O-N 2.85Å; C436-L439 PolarHBondContact O-N 3Å; C436-I440 WeakPolarHBondContact O-CB 3.34Å; C436-I440 WeakPolarHBondContact O-CD1 3.45Å; C436-I440 WeakPolarHBondContact O-CG1 3.48Å; C436-I440 PolarHBondContact O-N 2.75Å
437N91.4Very high89Confident91 Ų9168 Ų6849%0.48736%0.359SS..Hα-helixtrans-61.7-39.3177.7-71.5-31.7000112.2T433 T434 E435 S441T433-N437 WeakPolarHBondContact O-CB 3.04Å; T433-N437 VanDerWaalsContact O-CG 3.25Å; T433-N437 PolarHBondContact O-N 2.94Å; T433-N437 PolarHBondContact O-ND2 3.37Å; T433-N437 VanDerWaalsContact O-ND2 3.12Å; T434-N437 PolarHBondContact O-N 2.57Å; E435-N437 VanDerWaalsContact C-N 3.34Å; E435-N437 PolarHBondContact O-N 2.95Å; N437-S441 WeakPolarHBondContact O-CB 3.49Å; N437-S441 PolarHBondContact O-N 3.24Å; N437-S441 PolarHBondContact O-OG 3.34Å
438R89.4Confident89.1Confident40 Ų4072.6 Ų72.615%0.15138%0.384CS..Hα-helixtrans-64-47.6176.2-170.1-169.864.171.63.4111.8T434 E435 C436 S441 A442 L484 S487T434-R438 WeakPolarHBondContact O-CB 3.44Å; T434-R438 PolarHBondContact O-N 2.78Å; E435-R438 VanDerWaalsContact CD-NE 3.34Å; E435-R438 PolarHBondContact O-N 2.84Å; E435-R438 WeakPolarHBondContact OE1-CD 3.26Å; E435-R438 IonicContact OE1-CZ 3.55Å; E435-R438 IonicContact OE1-NE 2.83Å; E435-R438 PolarHBondContact OE1-NE 3.37Å; E435-R438 IonicContact OE2-CZ 3.24Å; E435-R438 VanDerWaalsContact OE2-CZ 3.31Å; E435-R438 IonicContact OE2-NE 2.83Å; E435-R438 PolarHBondContact OE2-NE 3.13Å; E435-R438 IonicContact OE2-NH2 2.7Å; E435-R438 PolarHBondContact OE2-NH2 3.42Å; C436-R438 VanDerWaalsContact C-N 3.31Å; C436-R438 PolarHBondContact O-N 2.85Å; R438-S441 WeakPolarHBondContact O-CB 3.34Å; R438-S441 PolarHBondContact O-N 2.82Å; R438-A442 PolarHBondContact O-N 3.09Å; R438-L484 PolarHBondContact NH1-O 2.87Å; R438-S487 PolarHBondContact NE-O 3.05Å; R438-S487 VanDerWaalsContact NE-O 3.11Å; R438-S487 PolarHBondContact NH1-O 3.37Å; R438-S487 VanDerWaalsContact NH1-O 3.12Å; R438-S487 PolarHBondContact NH1-OG 2.87Å; R438-S487 VanDerWaalsContact NH1-OG 3.12Å; R438-S487 PolarHBondContact NH2-O 3.32Å
439L89.2Confident89.1Confident67 Ų6768.6 Ų68.635%0.35137%0.365SS..Hα-helixtrans-64.6-43178.2-71.8175.7000111.7E435 C436 S441 A442 T443 F490E435-L439 WeakPolarHBondContact O-CB 3.15Å; E435-L439 WeakPolarHBondContact O-CG 3.43Å; E435-L439 PolarHBondContact O-N 3.09Å; C436-L439 PolarHBondContact O-N 3Å; L439-S441 VanDerWaalsContact C-N 3.27Å; L439-S441 PolarHBondContact O-N 3.43Å; L439-A442 PolarHBondContact O-N 2.77Å; L439-T443 WeakPolarHBondContact O-CB 3.35Å; L439-T443 PolarHBondContact O-N 3.47Å; L439-T443 PolarHBondContact O-OG1 3.39Å; L439-T443 VanDerWaalsContact O-OG1 3.06Å; L439-F490 HydrophobicContact CD1-CZ 4.27Å
440I91.5Very high89Confident100 Ų10066.7 Ų66.751%0.51335%0.354SS..Hα-helixtrans-56.6-44.8173.1-70.9164.3000110.3C436 T443 T444C436-I440 WeakPolarHBondContact O-CB 3.34Å; C436-I440 WeakPolarHBondContact O-CD1 3.45Å; C436-I440 WeakPolarHBondContact O-CG1 3.48Å; C436-I440 PolarHBondContact O-N 2.75Å; I440-T443 PolarHBondContact O-N 2.85Å; I440-T444 VanDerWaalsContact O-CB 3.27Å; I440-T444 WeakPolarHBondContact O-CB 3.48Å; I440-T444 PolarHBondContact O-N 3.17Å; I440-T444 PolarHBondContact O-OG1 3.46Å
441S90.5Very high88.7Confident68 Ų6866.7 Ų66.748%0.47635%0.354SS..Hα-helixtrans-63.5-42.2177.7-59.10000112.2N437 R438 L439 T444 A445N437-S441 WeakPolarHBondContact O-CB 3.49Å; N437-S441 PolarHBondContact O-N 3.24Å; N437-S441 PolarHBondContact O-OG 3.34Å; R438-S441 WeakPolarHBondContact O-CB 3.34Å; R438-S441 PolarHBondContact O-N 2.82Å; L439-S441 VanDerWaalsContact C-N 3.27Å; L439-S441 PolarHBondContact O-N 3.43Å; S441-T444 PolarHBondContact O-N 3.24Å; S441-A445 WeakPolarHBondContact O-CB 3.05Å; S441-A445 PolarHBondContact O-N 2.92Å
442A89.6Confident88.3Confident7 Ų765.8 Ų65.86%0.05835%0.352CS..Hα-helixtrans-64.8-46.4177.300000112R438 L439 A445 W446 L484R438-A442 PolarHBondContact O-N 3.09Å; L439-A442 PolarHBondContact O-N 2.77Å; A442-A445 PolarHBondContact O-N 3.37Å; A442-W446 PolarHBondContact O-N 3.24Å; A442-L484 HydrophobicContact CB-CB 3.87Å
443T90Very high86.9Confident68 Ų6870.6 Ų70.642%0.41738%0.378SS..Hα-helixtrans-63.4-41.7176.9-61.30000111.3L439 I440 W446 Y447L439-T443 WeakPolarHBondContact O-CB 3.35Å; L439-T443 PolarHBondContact O-N 3.47Å; L439-T443 PolarHBondContact O-OG1 3.39Å; L439-T443 VanDerWaalsContact O-OG1 3.06Å; I440-T443 PolarHBondContact O-N 2.85Å; T443-W446 PolarHBondContact O-N 2.85Å; T443-Y447 HydrophobicContact CG2-CD2 3.56Å; T443-Y447 HydrophobicContact CG2-CE2 3.27Å; T443-Y447 WeakPolarHBondContact O-CD2 3.46Å; T443-Y447 PolarHBondContact O-N 3.11Å
444T91.2Very high85.5Confident67 Ų6774.8 Ų74.841%0.41139%0.387SS..Hα-helixtrans-63.2-43.5175.2-56.50000111.2I440 S441 W446 Y447 N448I440-T444 VanDerWaalsContact O-CB 3.27Å; I440-T444 WeakPolarHBondContact O-CB 3.48Å; I440-T444 PolarHBondContact O-N 3.17Å; I440-T444 PolarHBondContact O-OG1 3.46Å; S441-T444 PolarHBondContact O-N 3.24Å; T444-W446 VanDerWaalsContact C-N 3.32Å; T444-W446 PolarHBondContact O-N 3.28Å; T444-Y447 PolarHBondContact O-N 3.23Å; T444-N448 VanDerWaalsContact O-CB 3.29Å; T444-N448 WeakPolarHBondContact O-CB 3.38Å; T444-N448 PolarHBondContact O-N 2.75Å; T444-N448 PolarHBondContact O-ND2 3.24Å
445A88.7Confident84.2Confident26 Ų2672.1 Ų72.122%0.21537%0.37CS..Hα-helixtrans-61.3-39.9175.600000112.2S441 A442 N448 F449 L484S441-A445 WeakPolarHBondContact O-CB 3.05Å; S441-A445 PolarHBondContact O-N 2.92Å; A442-A445 PolarHBondContact O-N 3.37Å; A445-N448 PolarHBondContact O-N 3.09Å; A445-F449 WeakPolarHBondContact O-CB 3.17Å; A445-F449 PolarHBondContact O-N 3.44Å; A445-L484 HydrophobicContact CB-CD1 4.02Å
446W89.3Confident83Confident114 Ų11477.4 Ų77.443%0.43240%0.403SS..Hα-helixtrans-65.7-48.8175.7173.7-114.6000112.8A442 T443 T444 N448 F449 I450 L478A442-W446 PolarHBondContact O-N 3.24Å; T443-W446 PolarHBondContact O-N 2.85Å; T444-W446 VanDerWaalsContact C-N 3.32Å; T444-W446 PolarHBondContact O-N 3.28Å; W446-N448 VanDerWaalsContact C-N 3.29Å; W446-N448 PolarHBondContact O-N 3.25Å; W446-F449 HydrophobicContact CE3-CD1 4.08Å; W446-F449 AromaticContact CZ3-CD1 3.87Å; W446-F449 HydrophobicContact CZ3-CD1 3.87Å; W446-F449 HydrophobicContact CZ3-CE1 4.19Å; W446-F449 WeakPolarHBondContact O-CA 3.49Å; W446-F449 WeakPolarHBondContact O-CB 3.37Å; W446-F449 PolarHBondContact O-N 2.81Å; W446-I450 HydrophobicContact CD2-CD1 3.8Å; W446-I450 HydrophobicContact CD2-CG1 4.11Å; W446-I450 HydrophobicContact CE3-CG1 4.37Å; W446-I450 HydrophobicContact CG-CD1 4.24Å; W446-I450 HydrophobicContact CH2-CD1 4.08Å; W446-I450 HydrophobicContact CH2-CG1 4.04Å; W446-I450 HydrophobicContact CZ2-CD1 3.3Å; W446-I450 HydrophobicContact CZ2-CG1 3.77Å; W446-I450 HydrophobicContact CZ3-CG1 4.33Å; W446-I450 PolarHBondContact O-N 2.98Å; W446-L478 HydrophobicContact CZ3-CD1 3.97Å
447Y88.7Confident82Confident133 Ų13376.6 Ų76.652%0.52240%0.398SS..Hα-helixtrans-61.9-38.8176-77.6-61000111.6T443 T444 F449 I450 N451T443-Y447 HydrophobicContact CG2-CD2 3.56Å; T443-Y447 HydrophobicContact CG2-CE2 3.27Å; T443-Y447 WeakPolarHBondContact O-CD2 3.46Å; T443-Y447 PolarHBondContact O-N 3.11Å; T444-Y447 PolarHBondContact O-N 3.23Å; Y447-F449 VanDerWaalsContact C-N 3.26Å; Y447-F449 PolarHBondContact O-N 2.78Å; Y447-I450 PolarHBondContact O-N 3.05Å; Y447-N451 WeakPolarHBondContact O-CB 3.4Å; Y447-N451 PolarHBondContact O-N 3.35Å; Y447-N451 PolarHBondContact O-ND2 3.43Å
448N86.9Confident81.1Confident102 Ų10276.9 Ų76.955%0.54539%0.392SS..Hα-helixtrans-65.1-28.4173.1-70.9-15.7000112.8T444 A445 W446 D452T444-N448 VanDerWaalsContact O-CB 3.29Å; T444-N448 WeakPolarHBondContact O-CB 3.38Å; T444-N448 PolarHBondContact O-N 2.75Å; T444-N448 PolarHBondContact O-ND2 3.24Å; A445-N448 PolarHBondContact O-N 3.09Å; W446-N448 VanDerWaalsContact C-N 3.29Å; W446-N448 PolarHBondContact O-N 3.25Å; N448-D452 PolarHBondContact O-N 3.34Å
449F86.4Confident80.6Confident19 Ų1977.4 Ų77.48%0.08340%0.398CS..Hα-helixtrans-78.2-44.5175.9175.9-96000112.2A445 W446 Y447 D452 V455 R477 L478A445-F449 WeakPolarHBondContact O-CB 3.17Å; A445-F449 PolarHBondContact O-N 3.44Å; W446-F449 HydrophobicContact CE3-CD1 4.08Å; W446-F449 AromaticContact CZ3-CD1 3.87Å; W446-F449 HydrophobicContact CZ3-CD1 3.87Å; W446-F449 HydrophobicContact CZ3-CE1 4.19Å; W446-F449 WeakPolarHBondContact O-CA 3.49Å; W446-F449 WeakPolarHBondContact O-CB 3.37Å; W446-F449 PolarHBondContact O-N 2.81Å; Y447-F449 VanDerWaalsContact C-N 3.26Å; Y447-F449 PolarHBondContact O-N 2.78Å; F449-D452 WeakPolarHBondContact O-CB 3.44Å; F449-D452 PolarHBondContact O-N 3.31Å; F449-V455 HydrophobicContact CD2-CG2 4.35Å; F449-V455 HydrophobicContact CE1-CB 4.5Å; F449-V455 HydrophobicContact CE1-CG1 4.28Å; F449-V455 HydrophobicContact CE2-CB 4.45Å; F449-V455 HydrophobicContact CE2-CG1 3.75Å; F449-V455 HydrophobicContact CE2-CG2 4.17Å; F449-V455 HydrophobicContact CZ-CB 4.16Å; F449-V455 HydrophobicContact CZ-CG1 3.51Å; F449-V455 HydrophobicContact CZ-CG2 4.28Å; F449-V455 WeakPolarHBondContact O-CG2 3.26Å; F449-R477 HydrophobicContact CD2-CB 3.91Å; F449-R477 HydrophobicContact CE2-CB 3.95Å; F449-L478 HydrophobicContact CE1-CB 4.42Å; F449-L478 HydrophobicContact CE1-CD1 3.85Å; F449-L478 HydrophobicContact CE2-CB 4.18Å; F449-L478 HydrophobicContact CZ-CB 3.8Å; F449-L478 HydrophobicContact CZ-CD1 4.09Å; F449-L478 HydrophobicContact CZ-CG 4.42Å
450I84.3Confident80.1Confident81 Ų8181 Ų8142%0.41542%0.417SS..Hα-helixtrans-69.5-44178.1-65.8163.7000111.8W446 Y447 D452W446-I450 HydrophobicContact CD2-CD1 3.8Å; W446-I450 HydrophobicContact CD2-CG1 4.11Å; W446-I450 HydrophobicContact CE3-CG1 4.37Å; W446-I450 HydrophobicContact CG-CD1 4.24Å; W446-I450 HydrophobicContact CH2-CD1 4.08Å; W446-I450 HydrophobicContact CH2-CG1 4.04Å; W446-I450 HydrophobicContact CZ2-CD1 3.3Å; W446-I450 HydrophobicContact CZ2-CG1 3.77Å; W446-I450 HydrophobicContact CZ3-CG1 4.33Å; W446-I450 PolarHBondContact O-N 2.98Å; Y447-I450 PolarHBondContact O-N 3.05Å; I450-D452 PolarHBondContact O-N 3.37Å
451N81.9Confident79.7Confident115 Ų11582.7 Ų82.762%0.61543%0.427SS*.THydrogen-bonded Turntrans-73.9-6.8-178.4-64-18.8000112.2Y447 D453Y447-N451 WeakPolarHBondContact O-CB 3.4Å; Y447-N451 PolarHBondContact O-N 3.35Å; Y447-N451 PolarHBondContact O-ND2 3.43Å; N451-D453 VanDerWaalsContact C-N 3.3Å; N451-D453 PolarHBondContact O-N 2.87Å
452D79.4Confident79.3Confident50 Ų5081.9 Ų81.927%0.26742%0.416SS..THydrogen-bonded Turntrans-68.896.4162.8-159.1-21.4000107.2N448 F449 I450 R454 V455 R458 R477N448-D452 PolarHBondContact O-N 3.34Å; F449-D452 WeakPolarHBondContact O-CB 3.44Å; F449-D452 PolarHBondContact O-N 3.31Å; I450-D452 PolarHBondContact O-N 3.37Å; D452-R454 VanDerWaalsContact C-N 3.27Å; D452-R454 PolarHBondContact O-N 2.83Å; D452-V455 HydrophobicContact CB-CG2 4.06Å; D452-V455 WeakPolarHBondContact O-CG2 3.49Å; D452-V455 PolarHBondContact O-N 3.09Å; D452-R458 IonicContact OD1-NH1 3.38Å; D452-R477 IonicContact OD2-CZ 3.76Å; D452-R477 VanDerWaalsContact OD2-CZ 3.24Å; D452-R477 IonicContact OD2-NH1 3.26Å; D452-R477 PolarHBondContact OD2-NH1 3.31Å; D452-R477 IonicContact OD2-NH2 2.74Å; D452-R477 PolarHBondContact OD2-NH2 3.14Å
453D58.7Low79.2Confident138 Ų13885.6 Ų85.674%0.73844%0.435SS*.THydrogen-bonded Turntrans-6370.1-146.3-144.84.2000114N451N451-D453 VanDerWaalsContact C-N 3.3Å; N451-D453 PolarHBondContact O-N 2.87Å
454R60.5Low79Confident148 Ų14886.8 Ų86.856%0.55844%0.444SS*.THydrogen-bonded Turntrans117.148.9174.3-63.9170.5-171-155.91.2115.8D452 T456 S457 R458D452-R454 VanDerWaalsContact C-N 3.27Å; D452-R454 PolarHBondContact O-N 2.83Å; R454-T456 PolarHBondContact O-N 2.85Å; R454-T456 VanDerWaalsContact O-N 3.11Å; R454-S457 WeakPolarHBondContact CB-OG 3.33Å; R454-S457 WeakPolarHBondContact CD-OG 3.33Å; R454-S457 WeakPolarHBondContact CG-OG 3.2Å; R454-S457 PolarHBondContact O-N 2.99Å; R454-R458 HydrophobicContact CB-CG 3.86Å; R454-R458 WeakPolarHBondContact O-CB 3.39Å; R454-R458 WeakPolarHBondContact O-CG 3.39Å; R454-R458 PolarHBondContact O-N 3.05Å
455V62.8Low78.7Confident15 Ų1589.7 Ų89.79%0.09146%0.456CS..THydrogen-bonded Turntrans-51.4-36.6174.6-176.20000113.3F449 D452 M474F449-V455 HydrophobicContact CD2-CG2 4.35Å; F449-V455 HydrophobicContact CE1-CB 4.5Å; F449-V455 HydrophobicContact CE1-CG1 4.28Å; F449-V455 HydrophobicContact CE2-CB 4.45Å; F449-V455 HydrophobicContact CE2-CG1 3.75Å; F449-V455 HydrophobicContact CE2-CG2 4.17Å; F449-V455 HydrophobicContact CZ-CB 4.16Å; F449-V455 HydrophobicContact CZ-CG1 3.51Å; F449-V455 HydrophobicContact CZ-CG2 4.28Å; F449-V455 WeakPolarHBondContact O-CG2 3.26Å; D452-V455 HydrophobicContact CB-CG2 4.06Å; D452-V455 WeakPolarHBondContact O-CG2 3.49Å; D452-V455 PolarHBondContact O-N 3.09Å; V455-M474 HydrophobicContact CG1-CB 4Å; V455-M474 HydrophobicContact CG1-CE 4.15Å; V455-M474 HydrophobicContact CG1-CG 3.81Å; V455-M474 HydrophobicContact CG1-SD 3.7Å; V455-M474 VanDerWaalsContact O-SD 3.4Å
456T63.2Low78.5Confident115 Ų11593.5 Ų93.571%0.70647%0.469SS*.THydrogen-bonded Turntrans-88.5-40.6178.547.90000113.5R454R454-T456 PolarHBondContact O-N 2.85Å; R454-T456 VanDerWaalsContact O-N 3.11Å
457S69.1Low78.3Confident44 Ų4488.8 Ų88.831%0.30846%0.455SS..THydrogen-bonded Turntrans-88-2.8-17851.30000115.2R454R454-S457 WeakPolarHBondContact CB-OG 3.33Å; R454-S457 WeakPolarHBondContact CD-OG 3.33Å; R454-S457 WeakPolarHBondContact CG-OG 3.2Å; R454-S457 PolarHBondContact O-N 2.99Å
458R73Confident78.1Confident97 Ų9789 Ų8937%0.36646%0.464SS..THydrogen-bonded Turntrans-73-37.5167.4-81.5169.366.9174.4-2.1111.4D452 R454 D460 L461 M462D452-R458 IonicContact OD1-NH1 3.38Å; R454-R458 HydrophobicContact CB-CG 3.86Å; R454-R458 WeakPolarHBondContact O-CB 3.39Å; R454-R458 WeakPolarHBondContact O-CG 3.39Å; R454-R458 PolarHBondContact O-N 3.05Å; R458-D460 VanDerWaalsContact C-N 3.31Å; R458-D460 PolarHBondContact O-N 3.21Å; R458-L461 PolarHBondContact O-N 2.91Å; R458-L461 VanDerWaalsContact O-N 3.13Å; R458-M462 VanDerWaalsContact O-CG 3.27Å; R458-M462 WeakPolarHBondContact O-CG 3.44Å; R458-M462 PolarHBondContact O-N 3.29Å
459L77.5Confident78.1Confident52 Ų5288.3 Ų88.327%0.27246%0.463SS..G310 helixtrans-62.1-38.6-178-74.7156.3000112.2L461 M462 A467 A471 M474L459-L461 PolarHBondContact O-N 3.33Å; L459-M462 PolarHBondContact O-N 3.35Å; L459-A467 HydrophobicContact CD2-CB 4.12Å; L459-A467 VanDerWaalsContact CD2-O 3.31Å; L459-A467 WeakPolarHBondContact CD2-O 3.39Å; L459-A471 HydrophobicContact CD2-CB 3.91Å; L459-M474 HydrophobicContact CD1-SD 3.95Å; L459-M474 HydrophobicContact CD2-SD 4.42Å; L459-M474 HydrophobicContact CG-SD 4.1Å
460D80.1Confident78Confident142 Ų14290.9 Ų90.976%0.75948%0.476SS*.G310 helixtrans-65.5-18.2178.2-65.7-24.7000113.7R458R458-D460 VanDerWaalsContact C-N 3.31Å; R458-D460 PolarHBondContact O-N 3.21Å
461L82Confident78Confident136 Ų13688.8 Ų88.871%0.71247%0.47SS*.G310 helixtrans-108.1-3.7-174.8-65.7171.8000113.6R458 L459R458-L461 PolarHBondContact O-N 2.91Å; R458-L461 VanDerWaalsContact O-N 3.13Å; L459-L461 PolarHBondContact O-N 3.33Å
462M81.9Confident78.2Confident50 Ų5084.9 Ų84.925%0.24646%0.457CS..SBendtrans-93.9156.7-176.8-73.7-17973.100112R458 L459 E466 A467 E470R458-M462 VanDerWaalsContact O-CG 3.27Å; R458-M462 WeakPolarHBondContact O-CG 3.44Å; R458-M462 PolarHBondContact O-N 3.29Å; L459-M462 PolarHBondContact O-N 3.35Å; M462-E466 HydrophobicContact CB-CB 4.48Å; M462-E466 HydrophobicContact CE-CB 3.53Å; M462-A467 HydrophobicContact CB-CB 4.01Å; M462-E470 HydrophobicContact CE-CB 4.33Å; M462-E470 HydrophobicContact CE-CG 3.56Å; M462-E470 HydrophobicContact SD-CB 4.47Å; M462-E470 HydrophobicContact SD-CG 4.17Å
463D86.8Confident78.6Confident85 Ų8585.6 Ų85.646%0.45547%0.465SS..  trans-58.1140.9168177.7-89.5000109.5I465 E466 A467D463-I465 PolarHBondContact O-N 3.13Å; D463-I465 WeakPolarHBondContact OD1-CB 3.15Å; D463-I465 PolarHBondContact OD1-N 2.86Å; D463-E466 HydrophobicContact CB-CB 4.33Å; D463-E466 HydrophobicContact CB-CG 4.16Å; D463-E466 PolarHBondContact O-N 2.78Å; D463-A467 WeakPolarHBondContact O-CB 3.37Å; D463-A467 PolarHBondContact O-N 3.49Å
464P85.9Confident79.9Confident93 Ų9379.7 Ų79.760%0.60443%0.433SS*.Hα-helixtrans-53.4-32.7-176.6-28.635.5000114.6L468P464-L468 WeakPolarHBondContact O-CB 3.48Å; P464-L468 WeakPolarHBondContact O-CD1 3.46Å; P464-L468 VanDerWaalsContact O-CG 3.24Å; P464-L468 WeakPolarHBondContact O-CG 3.45Å; P464-L468 PolarHBondContact O-N 3.38Å; P464-L468 VanDerWaalsContact O-N 3.13Å
465I85.9Confident81.2Confident128 Ų12877.3 Ų77.366%0.65643%0.431SS*.Hα-helixtrans-71.5-46.4176.9-59.9177.2000109.9D463 L468 T469D463-I465 PolarHBondContact O-N 3.13Å; D463-I465 WeakPolarHBondContact OD1-CB 3.15Å; D463-I465 PolarHBondContact OD1-N 2.86Å; I465-L468 PolarHBondContact O-N 3.36Å; I465-T469 WeakPolarHBondContact O-CG2 3.28Å; I465-T469 PolarHBondContact O-N 2.93Å; I465-T469 VanDerWaalsContact O-N 3.08Å; I465-T469 PolarHBondContact O-OG1 2.77Å
466E84.3Confident82.4Confident106 Ų10681.5 Ų81.550%0.49545%0.453SS..Hα-helixtrans-65.2-41.1177.9-63.8-175.8166.500111.8M462 D463 L468 T469 E470M462-E466 HydrophobicContact CB-CB 4.48Å; M462-E466 HydrophobicContact CE-CB 3.53Å; D463-E466 HydrophobicContact CB-CB 4.33Å; D463-E466 HydrophobicContact CB-CG 4.16Å; D463-E466 PolarHBondContact O-N 2.78Å; E466-L468 VanDerWaalsContact C-N 3.33Å; E466-L468 PolarHBondContact O-N 3.32Å; E466-T469 VanDerWaalsContact CA-OG1 3.32Å; E466-T469 WeakPolarHBondContact CA-OG1 3.38Å; E466-T469 PolarHBondContact O-N 3.34Å; E466-T469 VanDerWaalsContact O-N 3.13Å; E466-T469 PolarHBondContact O-OG1 2.9Å; E466-E470 PolarHBondContact O-N 3.33Å
467A85.2Confident83.5Confident16 Ų1680.6 Ų80.613%0.13244%0.436CS..Hα-helixtrans-59.3-43.4175.500000111.3L459 M462 D463 T469 E470 A471L459-A467 HydrophobicContact CD2-CB 4.12Å; L459-A467 VanDerWaalsContact CD2-O 3.31Å; L459-A467 WeakPolarHBondContact CD2-O 3.39Å; M462-A467 HydrophobicContact CB-CB 4.01Å; D463-A467 WeakPolarHBondContact O-CB 3.37Å; D463-A467 PolarHBondContact O-N 3.49Å; A467-T469 VanDerWaalsContact C-N 3.34Å; A467-T469 PolarHBondContact O-N 2.9Å; A467-E470 PolarHBondContact O-N 2.83Å; A467-A471 WeakPolarHBondContact O-CB 3.45Å; A467-A471 PolarHBondContact O-N 3.4Å
468L85.3Confident84.4Confident138 Ų13881.7 Ų81.772%0.72344%0.438SS*.Hα-helixtrans-65.8-34.4175.2-75.4170.1000112.6P464 I465 E466P464-L468 WeakPolarHBondContact O-CB 3.48Å; P464-L468 WeakPolarHBondContact O-CD1 3.46Å; P464-L468 VanDerWaalsContact O-CG 3.24Å; P464-L468 WeakPolarHBondContact O-CG 3.45Å; P464-L468 PolarHBondContact O-N 3.38Å; P464-L468 VanDerWaalsContact O-N 3.13Å; I465-L468 PolarHBondContact O-N 3.36Å; E466-L468 VanDerWaalsContact C-N 3.33Å; E466-L468 PolarHBondContact O-N 3.32Å
469T85.7Confident85.2Confident86 Ų8680.7 Ų80.753%0.52844%0.44SS..Hα-helixtrans-71.8-35.6176.1550000113.5I465 E466 A467 P473I465-T469 WeakPolarHBondContact O-CG2 3.28Å; I465-T469 PolarHBondContact O-N 2.93Å; I465-T469 VanDerWaalsContact O-N 3.08Å; I465-T469 PolarHBondContact O-OG1 2.77Å; E466-T469 VanDerWaalsContact CA-OG1 3.32Å; E466-T469 WeakPolarHBondContact CA-OG1 3.38Å; E466-T469 PolarHBondContact O-N 3.34Å; E466-T469 VanDerWaalsContact O-N 3.13Å; E466-T469 PolarHBondContact O-OG1 2.9Å; A467-T469 VanDerWaalsContact C-N 3.34Å; A467-T469 PolarHBondContact O-N 2.9Å; T469-P473 WeakPolarHBondContact O-CD 3.47Å
470E83.9Confident85.6Confident73 Ų7386 Ų8634%0.34146%0.457SS..Hα-helixtrans-83.1-29.8179.3-72.3-66.3144.100112.8M462 E466 A467 G472 P473 M474M462-E470 HydrophobicContact CE-CB 4.33Å; M462-E470 HydrophobicContact CE-CG 3.56Å; M462-E470 HydrophobicContact SD-CB 4.47Å; M462-E470 HydrophobicContact SD-CG 4.17Å; E466-E470 PolarHBondContact O-N 3.33Å; A467-E470 PolarHBondContact O-N 2.83Å; E470-G472 VanDerWaalsContact C-N 3.27Å; E470-G472 PolarHBondContact O-N 2.78Å; E470-P473 WeakPolarHBondContact O-CD 3.36Å; E470-M474 WeakPolarHBondContact O-CB 3.43Å; E470-M474 WeakPolarHBondContact O-CG 3.32Å; E470-M474 PolarHBondContact O-N 3.09Å; E470-M474 VanDerWaalsContact O-N 3.08Å
471A85.4Confident86Confident37 Ų3779.9 Ų79.931%0.30643%0.425SS..Hα-helixtrans-58.7-37.5179.200000112.7L459 A467 L475L459-A471 HydrophobicContact CD2-CB 3.91Å; A467-A471 WeakPolarHBondContact O-CB 3.45Å; A467-A471 PolarHBondContact O-N 3.4Å; A471-L475 VanDerWaalsContact O-CB 3.26Å; A471-L475 WeakPolarHBondContact O-CB 3.4Å; A471-L475 PolarHBondContact O-N 3.26Å
472G85.5Confident86.3Confident33 Ų3378.6 Ų78.634%0.3442%0.419SS..Hα-helixtrans-60.8-61.5177.900000113E470 M474 L475 D476E470-G472 VanDerWaalsContact C-N 3.27Å; E470-G472 PolarHBondContact O-N 2.78Å; G472-M474 VanDerWaalsContact C-N 3.29Å; G472-M474 PolarHBondContact O-N 2.95Å; G472-L475 WeakPolarHBondContact O-CB 3.49Å; G472-L475 PolarHBondContact O-N 3.41Å; G472-L475 VanDerWaalsContact O-N 3.13Å; G472-D476 PolarHBondContact O-N 3.26Å
473P87.3Confident86.6Confident66 Ų6682.7 Ų82.743%0.42944%0.437SS..Hα-helixtrans-57.4-35.6175.7-2734.8000114.4T469 E470 D476 R477T469-P473 WeakPolarHBondContact O-CD 3.47Å; E470-P473 WeakPolarHBondContact O-CD 3.36Å; P473-D476 PolarHBondContact O-N 3.09Å; P473-R477 WeakPolarHBondContact O-CG 3.13Å; P473-R477 PolarHBondContact O-N 3.05Å
474M85.9Confident86.5Confident14 Ų1481.5 Ų81.57%0.06943%0.43CS..Hα-helixtrans-64.3-45.6174.5-73.4178.7167.700111.5V455 L459 E470 G472 D476 R477 L478V455-M474 HydrophobicContact CG1-CB 4Å; V455-M474 HydrophobicContact CG1-CE 4.15Å; V455-M474 HydrophobicContact CG1-CG 3.81Å; V455-M474 HydrophobicContact CG1-SD 3.7Å; V455-M474 VanDerWaalsContact O-SD 3.4Å; L459-M474 HydrophobicContact CD1-SD 3.95Å; L459-M474 HydrophobicContact CD2-SD 4.42Å; L459-M474 HydrophobicContact CG-SD 4.1Å; E470-M474 WeakPolarHBondContact O-CB 3.43Å; E470-M474 WeakPolarHBondContact O-CG 3.32Å; E470-M474 PolarHBondContact O-N 3.09Å; E470-M474 VanDerWaalsContact O-N 3.08Å; G472-M474 VanDerWaalsContact C-N 3.29Å; G472-M474 PolarHBondContact O-N 2.95Å; M474-D476 VanDerWaalsContact C-N 3.32Å; M474-D476 PolarHBondContact O-N 2.99Å; M474-R477 PolarHBondContact O-N 3.33Å; M474-L478 WeakPolarHBondContact O-CB 3.28Å; M474-L478 PolarHBondContact O-N 3.4Å
475L87.6Confident86.5Confident98 Ų9879.9 Ų79.951%0.51343%0.425SS..Hα-helixtrans-63.4-38.9175.5-172.964.3000111.1A471 G472 L478 N479A471-L475 VanDerWaalsContact O-CB 3.26Å; A471-L475 WeakPolarHBondContact O-CB 3.4Å; A471-L475 PolarHBondContact O-N 3.26Å; G472-L475 WeakPolarHBondContact O-CB 3.49Å; G472-L475 PolarHBondContact O-N 3.41Å; G472-L475 VanDerWaalsContact O-N 3.13Å; L475-L478 PolarHBondContact O-N 3.31Å; L475-N479 VanDerWaalsContact O-CB 3.27Å; L475-N479 WeakPolarHBondContact O-CB 3Å; L475-N479 PolarHBondContact O-N 3.15Å; L475-N479 PolarHBondContact O-ND2 3.02Å
476D88.1Confident86.4Confident102 Ų10277.7 Ų77.755%0.54542%0.421SS..Hα-helixtrans-63.7-41174.9-74.2-21.1000112.6G472 P473 M474 N479 R480G472-D476 PolarHBondContact O-N 3.26Å; P473-D476 PolarHBondContact O-N 3.09Å; M474-D476 VanDerWaalsContact C-N 3.32Å; M474-D476 PolarHBondContact O-N 2.99Å; D476-N479 PolarHBondContact O-N 3.04Å; D476-R480 WeakPolarHBondContact O-CB 3.33Å; D476-R480 PolarHBondContact O-N 3.22Å
477R87.1Confident86.1Confident97 Ų9775.1 Ų75.137%0.36641%0.414SS..Hα-helixtrans-65.5-42174.3-75.4174.966.6-172.40111.6F449 D452 P473 M474 R480 C481F449-R477 HydrophobicContact CD2-CB 3.91Å; F449-R477 HydrophobicContact CE2-CB 3.95Å; D452-R477 IonicContact OD2-CZ 3.76Å; D452-R477 VanDerWaalsContact OD2-CZ 3.24Å; D452-R477 IonicContact OD2-NH1 3.26Å; D452-R477 PolarHBondContact OD2-NH1 3.31Å; D452-R477 IonicContact OD2-NH2 2.74Å; D452-R477 PolarHBondContact OD2-NH2 3.14Å; P473-R477 WeakPolarHBondContact O-CG 3.13Å; P473-R477 PolarHBondContact O-N 3.05Å; M474-R477 PolarHBondContact O-N 3.33Å; R477-R480 WeakPolarHBondContact O-CB 3.32Å; R477-R480 PolarHBondContact O-N 3.29Å; R477-C481 PolarHBondContact O-N 3.04Å; R477-C481 PolarHBondContact O-SG 3.23Å
478L87.7Confident85.3Confident66 Ų6676.4 Ų76.435%0.34642%0.423SS..Hα-helixtrans-62.8-46.4174.9-179.561.4000111W446 F449 M474 L475 R480 C481 L482W446-L478 HydrophobicContact CZ3-CD1 3.97Å; F449-L478 HydrophobicContact CE1-CB 4.42Å; F449-L478 HydrophobicContact CE1-CD1 3.85Å; F449-L478 HydrophobicContact CE2-CB 4.18Å; F449-L478 HydrophobicContact CZ-CB 3.8Å; F449-L478 HydrophobicContact CZ-CD1 4.09Å; F449-L478 HydrophobicContact CZ-CG 4.42Å; M474-L478 WeakPolarHBondContact O-CB 3.28Å; M474-L478 PolarHBondContact O-N 3.4Å; L475-L478 PolarHBondContact O-N 3.31Å; L478-R480 VanDerWaalsContact C-N 3.27Å; L478-R480 PolarHBondContact O-N 3.24Å; L478-C481 WeakPolarHBondContact O-CB 3.44Å; L478-C481 PolarHBondContact O-N 3.19Å; L478-C481 VanDerWaalsContact O-N 3.15Å; L478-L482 WeakPolarHBondContact O-CB 3.21Å; L478-L482 PolarHBondContact O-N 2.9Å
479N89.1Confident84.5Confident77 Ų7773.2 Ų73.241%0.41241%0.405SS..Hα-helixtrans-59.2-38.4175.5-75.2-27.1000111.4L475 D476 L482 Q483L475-N479 VanDerWaalsContact O-CB 3.27Å; L475-N479 WeakPolarHBondContact O-CB 3Å; L475-N479 PolarHBondContact O-N 3.15Å; L475-N479 PolarHBondContact O-ND2 3.02Å; D476-N479 PolarHBondContact O-N 3.04Å; N479-L482 PolarHBondContact O-N 3.18Å; N479-Q483 VanDerWaalsContact O-CB 3.28Å; N479-Q483 WeakPolarHBondContact O-CB 3.5Å; N479-Q483 PolarHBondContact O-N 3.49Å
480R87.5Confident83.8Confident162 Ų16272.3 Ų72.361%0.61139%0.394SS*.Hα-helixtrans-66.5-42.7174.4-170.2179.4-61175.82.9112.5D476 R477 L478 L482 Q483 L484D476-R480 WeakPolarHBondContact O-CB 3.33Å; D476-R480 PolarHBondContact O-N 3.22Å; R477-R480 WeakPolarHBondContact O-CB 3.32Å; R477-R480 PolarHBondContact O-N 3.29Å; L478-R480 VanDerWaalsContact C-N 3.27Å; L478-R480 PolarHBondContact O-N 3.24Å; R480-L482 VanDerWaalsContact C-N 3.33Å; R480-Q483 PolarHBondContact O-N 3.45Å; R480-L484 WeakPolarHBondContact O-CG 3.25Å; R480-L484 PolarHBondContact O-N 3.35Å
481C87.7Confident82.9Confident15 Ų1574.7 Ų74.710%0.10141%0.414CS..Hα-helixtrans-61.5-44.4174.5-64.20000110.8R477 L478 Q483 L484 A485R477-C481 PolarHBondContact O-N 3.04Å; R477-C481 PolarHBondContact O-SG 3.23Å; L478-C481 WeakPolarHBondContact O-CB 3.44Å; L478-C481 PolarHBondContact O-N 3.19Å; L478-C481 VanDerWaalsContact O-N 3.15Å; C481-Q483 VanDerWaalsContact C-N 3.34Å; C481-Q483 PolarHBondContact O-N 3.41Å; C481-L484 PolarHBondContact O-N 2.76Å; C481-A485 WeakPolarHBondContact O-CB 3.44Å; C481-A485 PolarHBondContact O-N 3.26Å
482L87.9Confident82.1Confident109 Ų10975.6 Ų75.657%0.57142%0.418SS*.Hα-helixtrans-62.3-41.1175.6-176.563.2000111.5L478 N479 R480 A485 S486L478-L482 WeakPolarHBondContact O-CB 3.21Å; L478-L482 PolarHBondContact O-N 2.9Å; N479-L482 PolarHBondContact O-N 3.18Å; R480-L482 VanDerWaalsContact C-N 3.33Å; L482-A485 PolarHBondContact O-N 3.3Å; L482-S486 WeakPolarHBondContact O-CB 3.34Å; L482-S486 PolarHBondContact O-N 3.16Å; L482-S486 PolarHBondContact O-OG 3.37Å
483Q88.5Confident81.4Confident135 Ų13578.5 Ų78.563%0.63143%0.43SS*.Hα-helixtrans-63.3-46.2176.3-172.9-177.88.900111.7N479 R480 C481 A485 S486 S487N479-Q483 VanDerWaalsContact O-CB 3.28Å; N479-Q483 WeakPolarHBondContact O-CB 3.5Å; N479-Q483 PolarHBondContact O-N 3.49Å; R480-Q483 PolarHBondContact O-N 3.45Å; C481-Q483 VanDerWaalsContact C-N 3.34Å; C481-Q483 PolarHBondContact O-N 3.41Å; Q483-A485 PolarHBondContact O-N 3.43Å; Q483-S486 WeakPolarHBondContact CA-OG 3.48Å; Q483-S486 PolarHBondContact O-N 3.05Å; Q483-S486 PolarHBondContact O-OG 2.92Å; Q483-S487 WeakPolarHBondContact O-CB 3.29Å; Q483-S487 PolarHBondContact O-N 3.04Å; Q483-S487 PolarHBondContact O-OG 3.35Å
484L85.9Confident80.8Confident61 Ų6180 Ų8032%0.31944%0.435SS..Hα-helixtrans-62-42.9175.6-71.3173.3000111.2R438 A442 A445 R480 C481 S487R438-L484 PolarHBondContact NH1-O 2.87Å; A442-L484 HydrophobicContact CB-CB 3.87Å; A445-L484 HydrophobicContact CB-CD1 4.02Å; R480-L484 WeakPolarHBondContact O-CG 3.25Å; R480-L484 PolarHBondContact O-N 3.35Å; C481-L484 PolarHBondContact O-N 2.76Å; L484-S487 PolarHBondContact O-OG 3.24Å
485A85.1Confident80.8Confident59 Ų5979.6 Ų79.649%0.48843%0.433SS..Hα-helixtrans-68.7-37.9177.800000113.3C481 L482 Q483C481-A485 WeakPolarHBondContact O-CB 3.44Å; C481-A485 PolarHBondContact O-N 3.26Å; L482-A485 PolarHBondContact O-N 3.3Å; Q483-A485 PolarHBondContact O-N 3.43Å
486S84.2Confident80.6Confident81 Ų8181.3 Ų81.357%0.56644%0.438SS*.Hα-helixtrans-84.8-12.2-176.359.80000114.7L482 Q483 S488L482-S486 WeakPolarHBondContact O-CB 3.34Å; L482-S486 PolarHBondContact O-N 3.16Å; L482-S486 PolarHBondContact O-OG 3.37Å; Q483-S486 WeakPolarHBondContact CA-OG 3.48Å; Q483-S486 PolarHBondContact O-N 3.05Å; Q483-S486 PolarHBondContact O-OG 2.92Å; S486-S488 PolarHBondContact O-N 2.89Å
487S78Confident80.3Confident52 Ų5282.1 Ų82.136%0.36444%0.442SS..  trans-69.363.8174.860.30000112.7R438 Q483 L484R438-S487 PolarHBondContact NE-O 3.05Å; R438-S487 VanDerWaalsContact NE-O 3.11Å; R438-S487 PolarHBondContact NH1-O 3.37Å; R438-S487 VanDerWaalsContact NH1-O 3.12Å; R438-S487 PolarHBondContact NH1-OG 2.87Å; R438-S487 VanDerWaalsContact NH1-OG 3.12Å; R438-S487 PolarHBondContact NH2-O 3.32Å; Q483-S487 WeakPolarHBondContact O-CB 3.29Å; Q483-S487 PolarHBondContact O-N 3.04Å; Q483-S487 PolarHBondContact O-OG 3.35Å; L484-S487 PolarHBondContact O-OG 3.24Å
488S68.6Low80.4Confident44 Ų4478.7 Ų78.731%0.30843%0.429SS..  trans-91.6129.6-171.6-176.20000113.5S486 F490S486-S488 PolarHBondContact O-N 2.89Å; S488-F490 VanDerWaalsContact C-N 3.25Å; S488-F490 WeakPolarHBondContact OG-CB 3.46Å; S488-F490 WeakPolarHBondContact OG-CD2 3.27Å; S488-F490 VanDerWaalsContact OG-CG 3.27Å; S488-F490 WeakPolarHBondContact OG-CG 3.33Å; S488-F490 PolarHBondContact OG-N 3.3Å; S488-F490 VanDerWaalsContact OG-N 3.08Å
489I68.2Low80.3Confident70 Ų7078 Ų7836%0.35943%0.426SS..SBendtrans-80.8-5.7168.9-55.3-173.3000111.5E435 T491 C492E435-I489 VanDerWaalsContact CD-CD1 3.48Å; E435-I489 VanDerWaalsContact CD-CG1 3.5Å; E435-I489 HydrophobicContact CG-CB 4.11Å; E435-I489 HydrophobicContact CG-CD1 3.92Å; E435-I489 HydrophobicContact CG-CG1 4.23Å; E435-I489 WeakPolarHBondContact OE1-CD1 3.37Å; E435-I489 VanDerWaalsContact OE1-CG1 3.24Å; E435-I489 WeakPolarHBondContact OE1-CG1 3.47Å; I489-T491 PolarHBondContact O-N 3.17Å; I489-C492 PolarHBondContact O-N 3.35Å; I489-C492 VanDerWaalsContact O-N 3.15Å
490F70.5Confident80.1Confident67 Ų6776.9 Ų76.929%0.29442%0.424SS..THydrogen-bonded Turntrans-67.4-2.2-177.6-57.9-45.2000114.7L439 S488 C492 W495 L499L439-F490 HydrophobicContact CD1-CZ 4.27Å; S488-F490 VanDerWaalsContact C-N 3.25Å; S488-F490 WeakPolarHBondContact OG-CB 3.46Å; S488-F490 WeakPolarHBondContact OG-CD2 3.27Å; S488-F490 VanDerWaalsContact OG-CG 3.27Å; S488-F490 WeakPolarHBondContact OG-CG 3.33Å; S488-F490 PolarHBondContact OG-N 3.3Å; S488-F490 VanDerWaalsContact OG-N 3.08Å; F490-C492 VanDerWaalsContact C-N 3.34Å; F490-W495 HydrophobicContact CD1-CD2 4.04Å; F490-W495 AromaticContact CD1-CE3 3.77Å; F490-W495 HydrophobicContact CD1-CE3 3.77Å; F490-W495 HydrophobicContact CD1-CG 4.4Å; F490-W495 HydrophobicContact CD1-CZ3 4.26Å; F490-W495 HydrophobicContact CE1-CD2 4.32Å; F490-W495 AromaticContact CE1-CE3 3.71Å; F490-W495 HydrophobicContact CE1-CE3 3.71Å; F490-W495 HydrophobicContact CE1-CH2 4.34Å; F490-W495 AromaticContact CE1-CZ3 3.73Å; F490-W495 HydrophobicContact CE1-CZ3 3.73Å; F490-L499 HydrophobicContact CB-CD1 3.85Å; F490-L499 HydrophobicContact CD1-CD1 3.99Å; F490-L499 HydrophobicContact CD1-CD2 3.8Å; F490-L499 HydrophobicContact CD1-CG 4.28Å; F490-L499 HydrophobicContact CE1-CD2 3.98Å; F490-L499 HydrophobicContact CG-CD1 4.09Å; F490-L499 HydrophobicContact CG-CD2 4.28Å
491T64.4Low80.1Confident123 Ų12370.9 Ų70.976%0.75540%0.403SS*.THydrogen-bonded Turntrans-80.8-14.7174.854.70000113.1I489I489-T491 PolarHBondContact O-N 3.17Å
492C68.4Low80.1Confident57 Ų5772.9 Ų72.939%0.38541%0.412SS..SBendtrans-74.6136.9177.3-65.90000111.4I489 F490 N494 W495I489-C492 PolarHBondContact O-N 3.35Å; I489-C492 VanDerWaalsContact O-N 3.15Å; F490-C492 VanDerWaalsContact C-N 3.34Å; C492-N494 PolarHBondContact O-N 3.48Å; C492-N494 VanDerWaalsContact O-N 3.09Å; C492-W495 PolarHBondContact O-N 3.07Å; C492-W495 VanDerWaalsContact O-N 3.07Å
493P71.7Confident80.1Confident93 Ų9369.9 Ų69.960%0.60440%0.403SS*.THydrogen-bonded Turntrans-58-29.9-176.420.4-31.2000113.3W495 Q496P493-W495 PolarHBondContact O-N 3.02Å; P493-Q496 WeakPolarHBondContact O-CB 3.4Å; P493-Q496 PolarHBondContact O-N 2.96Å
494N75.3Confident80Confident98 Ų9867.2 Ų67.252%0.52439%0.393SS..THydrogen-bonded Turntrans-61.5-28.8179.5-65.31.1000113.3C492C492-N494 PolarHBondContact O-N 3.48Å; C492-N494 VanDerWaalsContact O-N 3.09Å
495W85.1Confident80Confident6 Ų664.3 Ų64.32%0.02338%0.377CS..Hα-helixtrans-79.9-17.1-179.5-77.985.2000113.7V427 Q431 I432 E435 F490 C492 P493 L497 F498 L499V427-W495 HydrophobicContact CG1-CD2 4.23Å; V427-W495 HydrophobicContact CG1-CH2 3.96Å; V427-W495 HydrophobicContact CG1-CZ2 3.59Å; V427-W495 HydrophobicContact CG1-CZ3 4.38Å; V427-W495 HydrophobicContact CG2-CD2 3.94Å; V427-W495 HydrophobicContact CG2-CE3 4.27Å; V427-W495 HydrophobicContact CG2-CG 4.12Å; Q431-W495 HydrophobicContact CB-CZ2 4.25Å; I432-W495 HydrophobicContact CG1-CH2 4.08Å; I432-W495 HydrophobicContact CG1-CZ3 4.47Å; E435-W495 HydrophobicContact CB-CH2 4.03Å; E435-W495 HydrophobicContact CB-CZ2 4.37Å; E435-W495 HydrophobicContact CG-CH2 3.95Å; E435-W495 HydrophobicContact CG-CZ2 3.81Å; F490-W495 HydrophobicContact CD1-CD2 4.04Å; F490-W495 AromaticContact CD1-CE3 3.77Å; F490-W495 HydrophobicContact CD1-CE3 3.77Å; F490-W495 HydrophobicContact CD1-CG 4.4Å; F490-W495 HydrophobicContact CD1-CZ3 4.26Å; F490-W495 HydrophobicContact CE1-CD2 4.32Å; F490-W495 AromaticContact CE1-CE3 3.71Å; F490-W495 HydrophobicContact CE1-CE3 3.71Å; F490-W495 HydrophobicContact CE1-CH2 4.34Å; F490-W495 AromaticContact CE1-CZ3 3.73Å; F490-W495 HydrophobicContact CE1-CZ3 3.73Å; C492-W495 PolarHBondContact O-N 3.07Å; C492-W495 VanDerWaalsContact O-N 3.07Å; P493-W495 PolarHBondContact O-N 3.02Å; W495-L497 VanDerWaalsContact C-N 3.32Å; W495-L497 PolarHBondContact O-N 3.47Å; W495-F498 HydrophobicContact CE3-CB 4.47Å; W495-F498 AromaticContact CE3-CD1 3.62Å; W495-F498 HydrophobicContact CE3-CD1 3.62Å; W495-F498 HydrophobicContact CE3-CE1 4.23Å; W495-F498 HydrophobicContact CE3-CG 4.29Å; W495-F498 AromaticContact CZ3-CD1 3.62Å; W495-F498 HydrophobicContact CZ3-CD1 3.62Å; W495-F498 AromaticContact CZ3-CE1 3.76Å; W495-F498 HydrophobicContact CZ3-CE1 3.76Å; W495-F498 HydrophobicContact CZ3-CG 4.43Å; W495-F498 PolarHBondContact O-N 2.99Å; W495-F498 VanDerWaalsContact O-N 3.17Å; W495-L499 HydrophobicContact CB-CD1 4.15Å; W495-L499 HydrophobicContact CB-CG 4.43Å; W495-L499 WeakPolarHBondContact O-CB 3.4Å; W495-L499 VanDerWaalsContact O-CG 3.24Å; W495-L499 WeakPolarHBondContact O-CG 3.22Å; W495-L499 PolarHBondContact O-N 2.95Å
496Q83.8Confident80Confident134 Ų13465 Ų6563%0.62637%0.37SS*.Hα-helixtrans-59.9-41.8-174.3-67.2-178.2-13.400112.3P493 S500P493-Q496 WeakPolarHBondContact O-CB 3.4Å; P493-Q496 PolarHBondContact O-N 2.96Å; Q496-S500 WeakPolarHBondContact O-CB 3.32Å; Q496-S500 PolarHBondContact O-N 2.61Å
497L82.3Confident79.9Confident119 Ų11964.9 Ų64.962%0.62336%0.363SS*.Hα-helixtrans-64.4-48.7176-72.6172.7000111.1W495 L499 S500 Q501W495-L497 VanDerWaalsContact C-N 3.32Å; W495-L497 PolarHBondContact O-N 3.47Å; L497-L499 PolarHBondContact O-N 3.39Å; L497-S500 PolarHBondContact O-N 2.71Å; L497-S500 PolarHBondContact O-OG 3.47Å; L497-Q501 WeakPolarHBondContact O-CG 3.13Å; L497-Q501 PolarHBondContact O-N 3.43Å; L497-Q501 VanDerWaalsContact O-N 3.12Å
498F87.6Confident79.8Confident24 Ų2464.3 Ų64.311%0.10536%0.359CS..Hα-helixtrans-58.6-46.8177.6-179.8-95.8000112.1F425 V427 I432 W495 S500 Q501 L502 W554F425-F498 HydrophobicContact CB-CD2 4.09Å; F425-F498 HydrophobicContact CG-CD2 4.49Å; V427-F498 HydrophobicContact CG2-CB 4.04Å; I432-F498 HydrophobicContact CD1-CD2 4.23Å; I432-F498 HydrophobicContact CD1-CE2 3.74Å; I432-F498 HydrophobicContact CD1-CZ 4.14Å; W495-F498 HydrophobicContact CE3-CB 4.47Å; W495-F498 AromaticContact CE3-CD1 3.62Å; W495-F498 HydrophobicContact CE3-CD1 3.62Å; W495-F498 HydrophobicContact CE3-CE1 4.23Å; W495-F498 HydrophobicContact CE3-CG 4.29Å; W495-F498 AromaticContact CZ3-CD1 3.62Å; W495-F498 HydrophobicContact CZ3-CD1 3.62Å; W495-F498 AromaticContact CZ3-CE1 3.76Å; W495-F498 HydrophobicContact CZ3-CE1 3.76Å; W495-F498 HydrophobicContact CZ3-CG 4.43Å; W495-F498 PolarHBondContact O-N 2.99Å; W495-F498 VanDerWaalsContact O-N 3.17Å; F498-S500 VanDerWaalsContact C-N 3.32Å; F498-S500 PolarHBondContact O-N 2.81Å; F498-Q501 PolarHBondContact O-N 2.99Å; F498-Q501 VanDerWaalsContact O-N 3.15Å; F498-L502 HydrophobicContact CE1-CD2 4.33Å; F498-L502 WeakPolarHBondContact O-CB 3.3Å; F498-L502 PolarHBondContact O-N 3.32Å; F498-W554 HydrophobicContact CD2-CH2 4.3Å; F498-W554 AromaticContact CE2-CH2 3.9Å; F498-W554 HydrophobicContact CE2-CH2 3.9Å; F498-W554 HydrophobicContact CE2-CZ2 4.46Å; F498-W554 HydrophobicContact CE2-CZ3 4.49Å; F498-W554 HydrophobicContact CZ-CH2 4.46Å
499L87.1Confident80.1Confident52 Ų5263.5 Ų63.527%0.27235%0.353SS..Hα-helixtrans-63.5-36.2179-68.5171000112.4F490 W495 L497 L502 A503F490-L499 HydrophobicContact CB-CD1 3.85Å; F490-L499 HydrophobicContact CD1-CD1 3.99Å; F490-L499 HydrophobicContact CD1-CD2 3.8Å; F490-L499 HydrophobicContact CD1-CG 4.28Å; F490-L499 HydrophobicContact CE1-CD2 3.98Å; F490-L499 HydrophobicContact CG-CD1 4.09Å; F490-L499 HydrophobicContact CG-CD2 4.28Å; W495-L499 HydrophobicContact CB-CD1 4.15Å; W495-L499 HydrophobicContact CB-CG 4.43Å; W495-L499 WeakPolarHBondContact O-CB 3.4Å; W495-L499 VanDerWaalsContact O-CG 3.24Å; W495-L499 WeakPolarHBondContact O-CG 3.22Å; W495-L499 PolarHBondContact O-N 2.95Å; L497-L499 PolarHBondContact O-N 3.39Å; L499-L502 HydrophobicContact CD2-CD2 4.36Å; L499-L502 PolarHBondContact O-N 2.97Å; L499-A503 WeakPolarHBondContact O-CB 3.23Å; L499-A503 PolarHBondContact O-N 3.41Å
500S85.2Confident80.1Confident53 Ų5365.4 Ų65.437%0.37136%0.36SS..Hα-helixtrans-64.1-41.1173.677.90000112.2Q496 L497 F498 A503 I504Q496-S500 WeakPolarHBondContact O-CB 3.32Å; Q496-S500 PolarHBondContact O-N 2.61Å; L497-S500 PolarHBondContact O-N 2.71Å; L497-S500 PolarHBondContact O-OG 3.47Å; F498-S500 VanDerWaalsContact C-N 3.32Å; F498-S500 PolarHBondContact O-N 2.81Å; S500-A503 PolarHBondContact O-N 3.44Å; S500-I504 WeakPolarHBondContact O-CG1 3.25Å; S500-I504 PolarHBondContact O-N 2.96Å
501Q86.1Confident79.8Confident37 Ų3766.7 Ų66.717%0.17337%0.37CS..Hα-helixtrans-69.4-40.2176.8-63.5-67.9-62.500111L497 F498 A503 I504 A505 F553 W554 R557L497-Q501 WeakPolarHBondContact O-CG 3.13Å; L497-Q501 PolarHBondContact O-N 3.43Å; L497-Q501 VanDerWaalsContact O-N 3.12Å; F498-Q501 PolarHBondContact O-N 2.99Å; F498-Q501 VanDerWaalsContact O-N 3.15Å; Q501-A503 VanDerWaalsContact C-N 3.33Å; Q501-A503 PolarHBondContact O-N 2.97Å; Q501-I504 PolarHBondContact O-N 3.41Å; Q501-A505 PolarHBondContact O-N 2.91Å; Q501-F553 HydrophobicContact CB-CE1 4.45Å; Q501-F553 HydrophobicContact CB-CZ 4.41Å; Q501-F553 WeakPolarHBondContact O-CE1 3.37Å; Q501-F553 WeakPolarHBondContact O-CZ 3.47Å; Q501-W554 HydrophobicContact CB-CH2 4.01Å; Q501-W554 HydrophobicContact CB-CZ3 4.35Å; Q501-R557 VanDerWaalsContact OE1-NE 3.09Å
502L88.6Confident79.7Confident56 Ų5665 Ų6529%0.29336%0.355SS..Hα-helixtrans-59.8-44174.6-173.168.7000111F498 L499 I504 A505 E506 W554F498-L502 HydrophobicContact CE1-CD2 4.33Å; F498-L502 WeakPolarHBondContact O-CB 3.3Å; F498-L502 PolarHBondContact O-N 3.32Å; L499-L502 HydrophobicContact CD2-CD2 4.36Å; L499-L502 PolarHBondContact O-N 2.97Å; L502-I504 VanDerWaalsContact C-N 3.32Å; L502-I504 PolarHBondContact O-N 3.19Å; L502-A505 WeakPolarHBondContact O-CB 3.48Å; L502-A505 PolarHBondContact O-N 3.17Å; L502-E506 WeakPolarHBondContact O-CG 3.34Å; L502-E506 PolarHBondContact O-N 3.21Å; L502-W554 HydrophobicContact CB-CZ2 4.5Å; L502-W554 HydrophobicContact CD1-CZ2 4Å
503A87.3Confident79.4Confident47 Ų4766.5 Ų66.539%0.38836%0.359SS..Hα-helixtrans-61.2-38.5175.700000112.6L499 S500 Q501 E506 N507L499-A503 WeakPolarHBondContact O-CB 3.23Å; L499-A503 PolarHBondContact O-N 3.41Å; S500-A503 PolarHBondContact O-N 3.44Å; Q501-A503 VanDerWaalsContact C-N 3.33Å; Q501-A503 PolarHBondContact O-N 2.97Å; A503-E506 PolarHBondContact O-N 3.39Å; A503-N507 WeakPolarHBondContact O-CB 3.4Å; A503-N507 PolarHBondContact O-N 3.26Å; A503-N507 PolarHBondContact O-ND2 2.72Å
504I86.2Confident78.7Confident79 Ų7966 Ų6641%0.40535%0.352SS..Hα-helixtrans-66.2-42174.7-62.8163.4000111S500 Q501 L502 E506 N507 S508 F553S500-I504 WeakPolarHBondContact O-CG1 3.25Å; S500-I504 PolarHBondContact O-N 2.96Å; Q501-I504 PolarHBondContact O-N 3.41Å; L502-I504 VanDerWaalsContact C-N 3.32Å; L502-I504 PolarHBondContact O-N 3.19Å; I504-E506 VanDerWaalsContact C-N 3.35Å; I504-N507 PolarHBondContact O-N 3.49Å; I504-S508 PolarHBondContact O-N 2.99Å; I504-S508 VanDerWaalsContact O-N 3.15Å; I504-S508 PolarHBondContact O-OG 3.11Å; I504-F553 HydrophobicContact CB-CE2 4.12Å; I504-F553 HydrophobicContact CB-CZ 4.13Å; I504-F553 HydrophobicContact CG2-CD2 4.32Å; I504-F553 HydrophobicContact CG2-CE2 3.52Å; I504-F553 HydrophobicContact CG2-CZ 4.05Å
505A85.9Confident77.9Confident0 Ų065.6 Ų65.60%035%0.35CS..Hα-helixtrans-60.4-44.9175.700000111.3Q501 L502 S508 F553 W554Q501-A505 PolarHBondContact O-N 2.91Å; L502-A505 WeakPolarHBondContact O-CB 3.48Å; L502-A505 PolarHBondContact O-N 3.17Å; A505-S508 WeakPolarHBondContact O-CB 3.41Å; A505-S508 PolarHBondContact O-N 3.28Å; A505-F553 HydrophobicContact CB-CB 4.46Å; A505-F553 HydrophobicContact CB-CD1 3.41Å; A505-F553 VanDerWaalsContact CB-CD1 3.41Å; A505-F553 HydrophobicContact CB-CE1 3.71Å; A505-F553 HydrophobicContact CB-CG 3.92Å; A505-F553 HydrophobicContact CB-CZ 4.43Å; A505-W554 HydrophobicContact CB-CZ2 4.43Å
506E85.3Confident76.6Confident72 Ų7269.8 Ų69.834%0.33637%0.372SS..Hα-helixtrans-67.4-40178.2-70.7-61.1145.100112.4L502 A503 I504 S508 V509 Q510 R550L502-E506 WeakPolarHBondContact O-CG 3.34Å; L502-E506 PolarHBondContact O-N 3.21Å; A503-E506 PolarHBondContact O-N 3.39Å; I504-E506 VanDerWaalsContact C-N 3.35Å; E506-S508 PolarHBondContact O-N 3.38Å; E506-V509 WeakPolarHBondContact O-CB 3.34Å; E506-V509 PolarHBondContact O-N 2.94Å; E506-Q510 PolarHBondContact O-N 2.85Å; E506-R550 VanDerWaalsContact OE1-CD 3.24Å; E506-R550 WeakPolarHBondContact OE1-CD 3.43Å; E506-R550 IonicContact OE1-NH1 2.82Å; E506-R550 PolarHBondContact OE1-NH1 3.01Å; E506-R550 IonicContact OE2-NH1 2.76Å
507N81.6Confident75.3Confident79 Ų7966.5 Ų66.542%0.42236%0.361SS..Hα-helixtrans-61.8-28.6174.1-72.6-19.6000112.6A503 I504 V509 Q510 N511A503-N507 WeakPolarHBondContact O-CB 3.4Å; A503-N507 PolarHBondContact O-N 3.26Å; A503-N507 PolarHBondContact O-ND2 2.72Å; I504-N507 PolarHBondContact O-N 3.49Å; N507-V509 VanDerWaalsContact C-N 3.31Å; N507-Q510 PolarHBondContact O-N 3.29Å; N507-N511 PolarHBondContact O-N 3.35Å; N507-N511 PolarHBondContact O-ND2 3.47Å
508S76Confident73.9Confident40 Ų4065.1 Ų65.128%0.2835%0.351SS..Hα-helixtrans-67.3-33.2175.8-56.70000111.9I504 A505 E506 I512I504-S508 PolarHBondContact O-N 2.99Å; I504-S508 VanDerWaalsContact O-N 3.15Å; I504-S508 PolarHBondContact O-OG 3.11Å; A505-S508 WeakPolarHBondContact O-CB 3.41Å; A505-S508 PolarHBondContact O-N 3.28Å; E506-S508 PolarHBondContact O-N 3.38Å; S508-I512 WeakPolarHBondContact O-CG1 3.48Å; S508-I512 PolarHBondContact O-N 2.93Å
509V75Confident72.2Confident27 Ų2769.1 Ų69.116%0.16437%0.373CS..Hα-helixtrans-67.4-46.5172-175.80000110.3E506 N507 N511 I512 N513 P549 R550E506-V509 WeakPolarHBondContact O-CB 3.34Å; E506-V509 PolarHBondContact O-N 2.94Å; N507-V509 VanDerWaalsContact C-N 3.31Å; V509-N511 VanDerWaalsContact C-N 3.32Å; V509-N511 PolarHBondContact O-N 2.97Å; V509-I512 PolarHBondContact O-N 3.44Å; V509-N513 PolarHBondContact O-N 3.43Å; V509-P549 HydrophobicContact CB-CG 4.42Å; V509-P549 HydrophobicContact CG2-CG 3.88Å; V509-R550 HydrophobicContact CG2-CG 3.47Å; V509-R550 VanDerWaalsContact CG2-CG 3.47Å
510Q69Low70.3Confident110 Ų11072.1 Ų72.151%0.51439%0.386SS..Hα-helixtrans-61.6-39.2-179.1-66.8-179.2300112.2E506 N507 N513 N514E506-Q510 PolarHBondContact O-N 2.85Å; N507-Q510 PolarHBondContact O-N 3.29Å; Q510-N513 PolarHBondContact O-N 3.48Å; Q510-N514 WeakPolarHBondContact O-CB 3.43Å; Q510-N514 PolarHBondContact O-N 3.25Å; Q510-N514 PolarHBondContact O-ND2 3.09Å
511N63.9Low68.6Low95 Ų9575.5 Ų75.551%0.50840%0.396SS..Hα-helixtrans-67.4-35.4177-76.8-23.6000113N507 V509 N515N507-N511 PolarHBondContact O-N 3.35Å; N507-N511 PolarHBondContact O-ND2 3.47Å; V509-N511 VanDerWaalsContact C-N 3.32Å; V509-N511 PolarHBondContact O-N 2.97Å; N511-N515 WeakPolarHBondContact O-CB 3.36Å; N511-N515 PolarHBondContact O-N 2.83Å; N511-N515 PolarHBondContact O-ND2 3.11Å; N511-N515 VanDerWaalsContact O-ND2 3.08Å
512I63Low66.7Low87 Ų8780.3 Ų80.345%0.44642%0.416SS..Hα-helixtrans-71-42175.1-70.3163.3000110.3S508 V509 N514 N515 L516 P549S508-I512 WeakPolarHBondContact O-CG1 3.48Å; S508-I512 PolarHBondContact O-N 2.93Å; V509-I512 PolarHBondContact O-N 3.44Å; I512-N514 VanDerWaalsContact C-N 3.33Å; I512-N514 PolarHBondContact O-N 3.39Å; I512-N515 PolarHBondContact O-N 3.16Å; I512-L516 WeakPolarHBondContact O-CB 3.12Å; I512-L516 PolarHBondContact O-N 3.26Å; I512-P549 HydrophobicContact CD1-CB 3.41Å; I512-P549 VanDerWaalsContact CD1-CB 3.41Å; I512-P549 HydrophobicContact CD1-CG 3.65Å
513N60.7Low64.6Low88 Ų8883.7 Ų83.747%0.47144%0.435SS..Hα-helixtrans-61.4-42.3174.2-73.5-8.8000111.2V509 Q510 N515 L516 V517V509-N513 PolarHBondContact O-N 3.43Å; Q510-N513 PolarHBondContact O-N 3.48Å; N513-N515 PolarHBondContact O-N 2.75Å; N513-L516 PolarHBondContact O-N 3.06Å; N513-V517 WeakPolarHBondContact O-CB 3.38Å; N513-V517 WeakPolarHBondContact O-CG2 3.5Å; N513-V517 PolarHBondContact O-N 3.16Å
514N58.7Low62.5Low84 Ų8491.1 Ų91.145%0.44945%0.454SS..Hα-helixtrans-66.1-36.1175.4-70.1-18.3000112.5Q510 I512 Q518Q510-N514 WeakPolarHBondContact O-CB 3.43Å; Q510-N514 PolarHBondContact O-N 3.25Å; Q510-N514 PolarHBondContact O-ND2 3.09Å; I512-N514 VanDerWaalsContact C-N 3.33Å; I512-N514 PolarHBondContact O-N 3.39Å; N514-Q518 VanDerWaalsContact O-CB 3.29Å; N514-Q518 WeakPolarHBondContact O-CB 3.41Å; N514-Q518 WeakPolarHBondContact O-CG 3.43Å; N514-Q518 PolarHBondContact O-N 3.23Å
515N57.8Low60.4Low89 Ų8995.3 Ų95.348%0.47647%0.472SS..Hα-helixtrans-73.5-34176.1-74.9-31.8000112.4N511 I512 N513 Q518 L519N511-N515 WeakPolarHBondContact O-CB 3.36Å; N511-N515 PolarHBondContact O-N 2.83Å; N511-N515 PolarHBondContact O-ND2 3.11Å; N511-N515 VanDerWaalsContact O-ND2 3.08Å; I512-N515 PolarHBondContact O-N 3.16Å; N513-N515 PolarHBondContact O-N 2.75Å; N515-Q518 PolarHBondContact O-N 3.38Å; N515-L519 WeakPolarHBondContact O-CB 3.16Å; N515-L519 WeakPolarHBondContact O-CD1 3.42Å; N515-L519 VanDerWaalsContact O-CG 3.24Å; N515-L519 WeakPolarHBondContact O-CG 3.35Å; N515-L519 PolarHBondContact O-N 3.24Å
516L57.9Low58.2Low93 Ų93102.6 Ų102.649%0.48751%0.511SS..Hα-helixtrans-68.7-44.3174.2-170.467.1000110.4I512 N513 Q518 L519 E520I512-L516 WeakPolarHBondContact O-CB 3.12Å; I512-L516 PolarHBondContact O-N 3.26Å; N513-L516 PolarHBondContact O-N 3.06Å; L516-Q518 VanDerWaalsContact C-N 3.34Å; L516-Q518 PolarHBondContact O-N 2.85Å; L516-L519 PolarHBondContact O-N 3.26Å; L516-E520 WeakPolarHBondContact O-CG 3.39Å; L516-E520 PolarHBondContact O-N 2.75Å
517V56.1Low55.7Low65 Ų65103.1 Ų103.139%0.39453%0.527SS..Hα-helixtrans-62.4-39.6173.1172.40000111.1N513 L519 E520 E521N513-V517 WeakPolarHBondContact O-CB 3.38Å; N513-V517 WeakPolarHBondContact O-CG2 3.5Å; N513-V517 PolarHBondContact O-N 3.16Å; V517-L519 PolarHBondContact O-N 3.42Å; V517-E520 PolarHBondContact O-N 3.32Å; V517-E521 HydrophobicContact CG1-CG 4.44Å; V517-E521 WeakPolarHBondContact O-CB 3.35Å; V517-E521 VanDerWaalsContact O-CG 3.28Å; V517-E521 WeakPolarHBondContact O-CG 3.34Å; V517-E521 PolarHBondContact O-N 2.81Å
518Q52.5Low53.6Low90 Ų90106.8 Ų106.842%0.42155%0.547SS..Hα-helixtrans-70.7-27175.1-77.4176.727.300114.1N514 N515 L516 K522N514-Q518 VanDerWaalsContact O-CB 3.29Å; N514-Q518 WeakPolarHBondContact O-CB 3.41Å; N514-Q518 WeakPolarHBondContact O-CG 3.43Å; N514-Q518 PolarHBondContact O-N 3.23Å; N515-Q518 PolarHBondContact O-N 3.38Å; L516-Q518 VanDerWaalsContact C-N 3.34Å; L516-Q518 PolarHBondContact O-N 2.85Å; Q518-K522 WeakPolarHBondContact O-CB 3.45Å; Q518-K522 VanDerWaalsContact O-CG 3.3Å; Q518-K522 WeakPolarHBondContact O-CG 3.48Å; Q518-K522 PolarHBondContact O-N 3.31Å
519L51.8Low52Low108 Ų108112 Ų11257%0.56557%0.571SS**Hα-helixtrans-77.5-34.2173.5-78161.5000111.2N515 L516 V517 N523N515-L519 WeakPolarHBondContact O-CB 3.16Å; N515-L519 WeakPolarHBondContact O-CD1 3.42Å; N515-L519 VanDerWaalsContact O-CG 3.24Å; N515-L519 WeakPolarHBondContact O-CG 3.35Å; N515-L519 PolarHBondContact O-N 3.24Å; L516-L519 PolarHBondContact O-N 3.26Å; V517-L519 PolarHBondContact O-N 3.42Å; L519-N523 WeakPolarHBondContact O-CB 3.36Å; L519-N523 PolarHBondContact O-N 2.85Å; L519-N523 PolarHBondContact O-ND2 3.1Å; L519-N523 VanDerWaalsContact O-ND2 3.08Å
520E48Very low50.5Low115 Ų115119.7 Ų119.754%0.53760%0.603SS.*Hα-helixtrans-67.8-41.8170.3-71.6175.4173.900110.6L516 V517 N523 Y524L516-E520 WeakPolarHBondContact O-CG 3.39Å; L516-E520 PolarHBondContact O-N 2.75Å; V517-E520 PolarHBondContact O-N 3.32Å; E520-N523 PolarHBondContact O-N 3.01Å; E520-Y524 WeakPolarHBondContact O-CD2 3.33Å
521E48.6Very low48.9Very low125 Ų125121.9 Ų121.958%0.58462%0.616SS**Hα-helixtrans-69.9-35.7178.1-74.7174.2170.500113.5V517 N523 Y524V517-E521 HydrophobicContact CG1-CG 4.44Å; V517-E521 WeakPolarHBondContact O-CB 3.35Å; V517-E521 VanDerWaalsContact O-CG 3.28Å; V517-E521 WeakPolarHBondContact O-CG 3.34Å; V517-E521 PolarHBondContact O-N 2.81Å; E521-N523 VanDerWaalsContact C-N 3.31Å; E521-N523 PolarHBondContact O-N 3.4Å; E521-Y524 PolarHBondContact O-N 2.82Å
522K46.2Very low47.6Very low137 Ų137124 Ų12460%0.59663%0.628SS**Hα-helixtrans-75.4-17.1177.2-76.6174.7-1791690114.3Q518 Y524Q518-K522 WeakPolarHBondContact O-CB 3.45Å; Q518-K522 VanDerWaalsContact O-CG 3.3Å; Q518-K522 WeakPolarHBondContact O-CG 3.48Å; Q518-K522 PolarHBondContact O-N 3.31Å; K522-Y524 VanDerWaalsContact C-N 3.33Å
523N45.2Very low46.3Very low128 Ų128124.6 Ų124.668%0.68464%0.635SS**THydrogen-bonded Turntrans-85.5-3.8175.8-78.9-27.8000113.4L519 E520 E521L519-N523 WeakPolarHBondContact O-CB 3.36Å; L519-N523 PolarHBondContact O-N 2.85Å; L519-N523 PolarHBondContact O-ND2 3.1Å; L519-N523 VanDerWaalsContact O-ND2 3.08Å; E520-N523 PolarHBondContact O-N 3.01Å; E521-N523 VanDerWaalsContact C-N 3.31Å; E521-N523 PolarHBondContact O-N 3.4Å
524Y43.3Very low45Very low203 Ų203126.7 Ų126.780%0.79665%0.647SS**THydrogen-bonded Turntrans-98.3-3173.9-86-81.5000114.8E520 E521 K522E520-Y524 WeakPolarHBondContact O-CD2 3.33Å; E521-Y524 PolarHBondContact O-N 2.82Å; K522-Y524 VanDerWaalsContact C-N 3.33Å
525E42.6Very low44Very low167 Ų167129.4 Ų129.478%0.7866%0.661SS**SBendtrans-111.58-178.1-68.4-168.3156.500115.2
526N38.3Very low42.9Very low153 Ų153132 Ų13282%0.81868%0.675SS**  trans-137.945176.5-74.3-63.3000112.9
527A34.3Very low42Very low82 Ų82135.8 Ų135.868%0.67870%0.696SS**  trans-114.86117700000111.2
528D37.1Very low41.1Very low156 Ų156140.9 Ų140.983%0.83472%0.715SS**  trans-152.775.7164.4-96.4-25.1000108.4
529D41.9Very low40.2Very low149 Ų149144 Ų14480%0.79774%0.735SS**SBendtrans177.2121.1137.7-99-29.8000112.7
530K44Very low39.4Very low190 Ų190143.4 Ų143.483%0.82674%0.74SS**  trans76.693.6151.2-64.8176.8-177169.30119.9
531I34.6Very low38.8Very low155 Ų155146 Ų14680%0.79576%0.756SS**  trans-48.5125.4146.8-62.5161000111.9
532N37.8Very low38.1Very low141 Ų141148 Ų14875%0.75476%0.763SS**  trans179.9100.7135.4-102.5-22.1000109.9
533T35.1Very low37.7Very low98 Ų98149.9 Ų149.960%0.60177%0.773SS**  82122.889.551.70000114.9
534N34.3Very low37.5Very low132 Ų132152 Ų15271%0.70678%0.779SS**  trans89.1103.4148.9-51.3-21000118.2
535N37.6Very low37.8Very low142 Ų142149.4 Ų149.476%0.75978%0.777SS**  168.8109.6100.2-82.6-28.8000110.8
536D34Very low38.7Very low144 Ų144148.9 Ų148.977%0.7778%0.778SS**  28.2106.8125.2-51.6-21.3000117.8
537D40Very low40.1Very low171 Ų171146 Ų14691%0.91476%0.76SS**  -162.7106.6127.1-96.3-26.6000109.7
538E36.4Very low42.2Very low173 Ų173144.4 Ų144.481%0.80874%0.74SS**  trans-68.1154.7171.7-70.6-175.2146.100111.8
539N32.4Very low44.4Very low154 Ų154138.4 Ų138.482%0.82471%0.71SS**  trans102.591.4158.6-57.5-52.4000118.1
540S36.9Very low46.4Very low96 Ų96135.6 Ų135.667%0.67169%0.688SS**  -176.397.1104.3-168.70000109.2K542S540-K542 VanDerWaalsContact C-N 3.26Å; S540-K542 PolarHBondContact O-N 3.45Å
541I33.6Very low48.3Very low171 Ų171129.9 Ų129.988%0.87767%0.666SS**  trans-67.588.6170-59.3168.3000106.9
542K35.7Very low50.6Low167 Ų167126.1 Ų126.173%0.72665%0.65SS**  trans-93.3107.3156.6-72.9-177.7179.8177.90105.2S540 Q544S540-K542 VanDerWaalsContact C-N 3.26Å; S540-K542 PolarHBondContact O-N 3.45Å; K542-Q544 PolarHBondContact O-N 3.26Å
543E36.6Very low53Low175 Ų175121.2 Ų121.282%0.81862%0.622SS**  trans-48.597.8159-76.5174.5148.800107.1I545E543-I545 PolarHBondContact O-N 2.73Å
544Q40.6Very low55.5Low174 Ų174119 Ų11981%0.81360%0.602SS**  trans-68.294.5165.5-77.1-179.9-3.500104.3K542 I546K542-Q544 PolarHBondContact O-N 3.26Å; Q544-I546 VanDerWaalsContact C-N 3.26Å; Q544-I546 PolarHBondContact O-N 2.86Å
545I49.6Very low57.9Low147 Ų147118.8 Ų118.875%0.75459%0.592SS**  trans-56.9100.8166.7-60.4171.4000104.9E543 E547E543-I545 PolarHBondContact O-N 2.73Å; I545-E547 VanDerWaalsContact C-N 3.34Å; I545-E547 PolarHBondContact O-N 3.04Å
546I61.9Low60.1Low156 Ų156114.2 Ų114.280%0.857%0.574SS**  trans-64.1101.3174.3-61.7173.4000104.8Q544 D548Q544-I546 VanDerWaalsContact C-N 3.26Å; Q544-I546 PolarHBondContact O-N 2.86Å; I546-D548 PolarHBondContact O-N 3.47Å
547E68.3Low62.5Low94 Ų94112.4 Ų112.444%0.43956%0.556SS.*  trans-59.8132.5175.9-78.9-166146.200108.8I545 R555I545-E547 VanDerWaalsContact C-N 3.34Å; I545-E547 PolarHBondContact O-N 3.04Å; E547-R555 IonicContact OE1-CZ 3.31Å; E547-R555 IonicContact OE1-NH1 3.93Å; E547-R555 PolarHBondContact OE1-NH1 3.44Å; E547-R555 IonicContact OE1-NH2 2.76Å; E547-R555 PolarHBondContact OE1-NH2 3.03Å; E547-R555 VanDerWaalsContact OE1-NH2 3.13Å; E547-R555 IonicContact OE2-CZ 3Å; E547-R555 IonicContact OE2-NH1 2.76Å; E547-R555 PolarHBondContact OE2-NH1 3.45Å
548D78.7Confident64.6Low48 Ų48107.1 Ų107.126%0.25753%0.527SS..  trans-53.3126.6177.9-174.9-34.3000109.8I546 R550 I551 T552I546-D548 PolarHBondContact O-N 3.47Å; D548-R550 PolarHBondContact O-N 3.15Å; D548-R550 WeakPolarHBondContact OD1-CB 3.32Å; D548-R550 VanDerWaalsContact OD1-CG 3.3Å; D548-R550 WeakPolarHBondContact OD1-CG 3.34Å; D548-R550 IonicContact OD1-CZ 3.37Å; D548-R550 PolarHBondContact OD1-N 3.08Å; D548-R550 IonicContact OD1-NE 2.82Å; D548-R550 PolarHBondContact OD1-NE 3.34Å; D548-R550 IonicContact OD1-NH2 3.4Å; D548-R550 IonicContact OD2-CZ 2.7Å; D548-R550 IonicContact OD2-NE 2.76Å; D548-R550 PolarHBondContact OD2-NE 3.29Å; D548-R550 IonicContact OD2-NH2 3.47Å; D548-R550 PolarHBondContact OD2-NH2 2.77Å; D548-I551 HydrophobicContact CB-CD1 3.82Å; D548-I551 HydrophobicContact CB-CG1 3.98Å; D548-I551 WeakPolarHBondContact O-CA 3.45Å; D548-I551 VanDerWaalsContact O-CB 3.29Å; D548-I551 WeakPolarHBondContact O-CB 3.37Å; D548-I551 PolarHBondContact O-N 2.99Å; D548-T552 PolarHBondContact O-N 2.85Å
549P82.6Confident67Low30 Ų3099.6 Ų99.620%0.19550%0.496CS..Hα-helixtrans-57.4-24.8-178.524.4-36.1000112.9V509 I512 I551 T552 F553V509-P549 HydrophobicContact CB-CG 4.42Å; V509-P549 HydrophobicContact CG2-CG 3.88Å; I512-P549 HydrophobicContact CD1-CB 3.41Å; I512-P549 VanDerWaalsContact CD1-CB 3.41Å; I512-P549 HydrophobicContact CD1-CG 3.65Å; P549-I551 VanDerWaalsContact C-N 3.35Å; P549-T552 PolarHBondContact O-N 3.31Å; P549-F553 PolarHBondContact O-N 3.06Å
550R84.5Confident69.5Low89 Ų8996.6 Ų96.634%0.33648%0.477SS..Hα-helixtrans-63.6-39.6172.3-61.8174.5-71.4-168.70.1111.5E506 V509 D548 T552 F553 W554E506-R550 VanDerWaalsContact OE1-CD 3.24Å; E506-R550 WeakPolarHBondContact OE1-CD 3.43Å; E506-R550 IonicContact OE1-NH1 2.82Å; E506-R550 PolarHBondContact OE1-NH1 3.01Å; E506-R550 IonicContact OE2-NH1 2.76Å; V509-R550 HydrophobicContact CG2-CG 3.47Å; V509-R550 VanDerWaalsContact CG2-CG 3.47Å; D548-R550 PolarHBondContact O-N 3.15Å; D548-R550 WeakPolarHBondContact OD1-CB 3.32Å; D548-R550 VanDerWaalsContact OD1-CG 3.3Å; D548-R550 WeakPolarHBondContact OD1-CG 3.34Å; D548-R550 IonicContact OD1-CZ 3.37Å; D548-R550 PolarHBondContact OD1-N 3.08Å; D548-R550 IonicContact OD1-NE 2.82Å; D548-R550 PolarHBondContact OD1-NE 3.34Å; D548-R550 IonicContact OD1-NH2 3.4Å; D548-R550 IonicContact OD2-CZ 2.7Å; D548-R550 IonicContact OD2-NE 2.76Å; D548-R550 PolarHBondContact OD2-NE 3.29Å; D548-R550 IonicContact OD2-NH2 3.47Å; D548-R550 PolarHBondContact OD2-NH2 2.77Å; R550-T552 VanDerWaalsContact C-N 3.32Å; R550-T552 PolarHBondContact O-N 2.98Å; R550-F553 PolarHBondContact O-N 3.28Å; R550-W554 PolarHBondContact O-N 2.9Å
551I83.1Confident72Confident71 Ų7196.4 Ų96.436%0.36446%0.464SS..Hα-helixtrans-62.2-44.5175.9-63.4170.2000109.7D548 P549 W554 R555D548-I551 HydrophobicContact CB-CD1 3.82Å; D548-I551 HydrophobicContact CB-CG1 3.98Å; D548-I551 WeakPolarHBondContact O-CA 3.45Å; D548-I551 VanDerWaalsContact O-CB 3.29Å; D548-I551 WeakPolarHBondContact O-CB 3.37Å; D548-I551 PolarHBondContact O-N 2.99Å; P549-I551 VanDerWaalsContact C-N 3.35Å; I551-W554 PolarHBondContact O-N 2.86Å; I551-R555 HydrophobicContact CG2-CG 4.29Å; I551-R555 VanDerWaalsContact CG2-CZ 3.49Å; I551-R555 WeakPolarHBondContact O-CB 3.4Å; I551-R555 WeakPolarHBondContact O-CG 3.17Å; I551-R555 PolarHBondContact O-N 2.96Å
552T83.8Confident74.4Confident75 Ų7592 Ų9246%0.4644%0.44SS..Hα-helixtrans-63.2-44.2178.1-58.80000111.4D548 P549 R550 R555 A556D548-T552 PolarHBondContact O-N 2.85Å; P549-T552 PolarHBondContact O-N 3.31Å; R550-T552 VanDerWaalsContact C-N 3.32Å; R550-T552 PolarHBondContact O-N 2.98Å; T552-R555 PolarHBondContact O-N 3.43Å; T552-A556 VanDerWaalsContact O-CB 3.29Å; T552-A556 WeakPolarHBondContact O-CB 3.42Å; T552-A556 PolarHBondContact O-N 3.17Å
553F86.8Confident76.6Confident39 Ų3988.6 Ų88.617%0.17144%0.437CS..Hα-helixtrans-57.2-51.9174.4174.7-92000111.7Q501 I504 A505 P549 R550 A556 R557Q501-F553 HydrophobicContact CB-CE1 4.45Å; Q501-F553 HydrophobicContact CB-CZ 4.41Å; Q501-F553 WeakPolarHBondContact O-CE1 3.37Å; Q501-F553 WeakPolarHBondContact O-CZ 3.47Å; I504-F553 HydrophobicContact CB-CE2 4.12Å; I504-F553 HydrophobicContact CB-CZ 4.13Å; I504-F553 HydrophobicContact CG2-CD2 4.32Å; I504-F553 HydrophobicContact CG2-CE2 3.52Å; I504-F553 HydrophobicContact CG2-CZ 4.05Å; A505-F553 HydrophobicContact CB-CB 4.46Å; A505-F553 HydrophobicContact CB-CD1 3.41Å; A505-F553 VanDerWaalsContact CB-CD1 3.41Å; A505-F553 HydrophobicContact CB-CE1 3.71Å; A505-F553 HydrophobicContact CB-CG 3.92Å; A505-F553 HydrophobicContact CB-CZ 4.43Å; P549-F553 PolarHBondContact O-N 3.06Å; R550-F553 PolarHBondContact O-N 3.28Å; F553-A556 PolarHBondContact O-N 2.77Å; F553-R557 WeakPolarHBondContact O-CB 3.19Å; F553-R557 PolarHBondContact O-N 2.58Å
554W87.6Confident78.5Confident50 Ų5081.9 Ų81.919%0.18942%0.415CS..Hα-helixtrans-66.5-39.8-178.8-71.2120000112.2F425 F498 Q501 L502 A505 R550 I551 A556 R557 I558F425-W554 AromaticContact CD1-CZ3 3.93Å; F425-W554 HydrophobicContact CD1-CZ3 3.93Å; F425-W554 HydrophobicContact CE1-CE3 4.09Å; F425-W554 AromaticContact CE1-CZ3 3.5Å; F425-W554 HydrophobicContact CE1-CZ3 3.5Å; F425-W554 VanDerWaalsContact CE1-CZ3 3.5Å; F425-W554 HydrophobicContact CZ-CE3 4.16Å; F425-W554 AromaticContact CZ-CZ3 3.99Å; F425-W554 HydrophobicContact CZ-CZ3 3.99Å; F498-W554 HydrophobicContact CD2-CH2 4.3Å; F498-W554 AromaticContact CE2-CH2 3.9Å; F498-W554 HydrophobicContact CE2-CH2 3.9Å; F498-W554 HydrophobicContact CE2-CZ2 4.46Å; F498-W554 HydrophobicContact CE2-CZ3 4.49Å; F498-W554 HydrophobicContact CZ-CH2 4.46Å; Q501-W554 HydrophobicContact CB-CH2 4.01Å; Q501-W554 HydrophobicContact CB-CZ3 4.35Å; L502-W554 HydrophobicContact CB-CZ2 4.5Å; L502-W554 HydrophobicContact CD1-CZ2 4Å; A505-W554 HydrophobicContact CB-CZ2 4.43Å; R550-W554 PolarHBondContact O-N 2.9Å; I551-W554 PolarHBondContact O-N 2.86Å; W554-A556 PolarHBondContact O-N 3.09Å; W554-R557 PolarHBondContact O-N 3.45Å; W554-I558 HydrophobicContact CB-CD1 4.07Å; W554-I558 HydrophobicContact CE3-CD1 4.43Å; W554-I558 VanDerWaalsContact O-CB 3.25Å; W554-I558 WeakPolarHBondContact O-CB 3.43Å; W554-I558 WeakPolarHBondContact O-CG1 3.43Å; W554-I558 PolarHBondContact O-N 3.12Å
555R86.1Confident79.9Confident129 Ų12983.4 Ų83.449%0.48742%0.422SS..Hα-helixtrans-64-40.4174.1-74.9179.9-176.2159.92.4112.4E547 I551 T552 R557 G559E547-R555 IonicContact OE1-CZ 3.31Å; E547-R555 IonicContact OE1-NH1 3.93Å; E547-R555 PolarHBondContact OE1-NH1 3.44Å; E547-R555 IonicContact OE1-NH2 2.76Å; E547-R555 PolarHBondContact OE1-NH2 3.03Å; E547-R555 VanDerWaalsContact OE1-NH2 3.13Å; E547-R555 IonicContact OE2-CZ 3Å; E547-R555 IonicContact OE2-NH1 2.76Å; E547-R555 PolarHBondContact OE2-NH1 3.45Å; I551-R555 HydrophobicContact CG2-CG 4.29Å; I551-R555 VanDerWaalsContact CG2-CZ 3.49Å; I551-R555 WeakPolarHBondContact O-CB 3.4Å; I551-R555 WeakPolarHBondContact O-CG 3.17Å; I551-R555 PolarHBondContact O-N 2.96Å; T552-R555 PolarHBondContact O-N 3.43Å; R555-R557 PolarHBondContact O-N 2.87Å; R555-G559 WeakPolarHBondContact O-CA 3.16Å; R555-G559 PolarHBondContact O-N 3.01Å
556A83.3Confident80.7Confident45 Ų4581.9 Ų81.937%0.37242%0.42SS..Hα-helixtrans-63.7-33.9175.900000111.8T552 F553 W554T552-A556 VanDerWaalsContact O-CB 3.29Å; T552-A556 WeakPolarHBondContact O-CB 3.42Å; T552-A556 PolarHBondContact O-N 3.17Å; F553-A556 PolarHBondContact O-N 2.77Å; W554-A556 PolarHBondContact O-N 3.09Å
557R83.1Confident81.1Confident106 Ų10678.5 Ų78.540%0.440%0.403SS..Hα-helixtrans-84.6-48-178.2-166.966.5172105.11.8113.8M424 F425 Q501 F553 W554 R555M424-R557 WeakPolarHBondContact CE-O 3.32Å; F425-R557 HydrophobicContact CE1-CG 3.73Å; F425-R557 HydrophobicContact CZ-CG 3.91Å; Q501-R557 VanDerWaalsContact OE1-NE 3.09Å; F553-R557 WeakPolarHBondContact O-CB 3.19Å; F553-R557 PolarHBondContact O-N 2.58Å; W554-R557 PolarHBondContact O-N 3.45Å; R555-R557 PolarHBondContact O-N 2.87Å
558I85.9Confident81.6Confident61 Ų6176.5 Ų76.531%0.31340%0.395SS..Hα-helixtrans-72.9-38.3-179.4-61.2168.8000110.6F425 W554 I571F425-I558 HydrophobicContact CE2-CG1 3.72Å; F425-I558 HydrophobicContact CZ-CG1 3.61Å; W554-I558 HydrophobicContact CB-CD1 4.07Å; W554-I558 HydrophobicContact CE3-CD1 4.43Å; W554-I558 VanDerWaalsContact O-CB 3.25Å; W554-I558 WeakPolarHBondContact O-CB 3.43Å; W554-I558 WeakPolarHBondContact O-CG1 3.43Å; W554-I558 PolarHBondContact O-N 3.12Å; I558-I571 VanDerWaalsContact O-CG2 3.24Å; I558-I571 WeakPolarHBondContact O-CG2 3.42Å
559G85Confident81.9Confident15 Ų1574.7 Ų74.716%0.15539%0.387CS..  trans81.5-174.9-169.600000113R555 V572R555-G559 WeakPolarHBondContact O-CA 3.16Å; R555-G559 PolarHBondContact O-N 3.01Å; G559-V572 CarbonylContact C-O 3.52Å; G559-V572 VanDerWaalsContact CA-O 3.24Å; G559-V572 WeakPolarHBondContact CA-O 3.26Å
560H86.6Confident82Confident91 Ų9178 Ų7842%0.42140%0.396SS..EExtended strand (participates in β ladder)trans-115.3149.9173.3100.888.4000109.8Q562 V572H560-Q562 PolarHBondContact O-N 3.16Å; H560-V572 PolarHBondContact N-O 2.95Å; H560-V572 PolarHBondContact O-N 3.42Å
561F88Confident82Confident92 Ų9275.3 Ų75.340%0.40439%0.388SS..EExtended strand (participates in β ladder)trans-80.7119.1171.5-175.8-110.9000110.1L417 L568 I571L417-F561 HydrophobicContact CD1-CE2 3.72Å; L417-F561 HydrophobicContact CD1-CZ 4.3Å; F561-L568 VanDerWaalsContact CZ-O 3.27Å; F561-L568 WeakPolarHBondContact CZ-O 3.22Å; F561-I571 HydrophobicContact CD2-CG1 4.35Å
562Q84.1Confident82.2Confident78 Ų7871.9 Ų71.936%0.36437%0.371SS..EExtended strand (participates in β ladder)trans-96.3105.7173.1-174.1176.330.200108.6H560 G564 G569 R570 V572H560-Q562 PolarHBondContact O-N 3.16Å; Q562-G564 PolarHBondContact O-N 2.63Å; Q562-G569 CarbonylContact O-C 3.54Å; Q562-G569 WeakPolarHBondContact O-CA 3.49Å; Q562-R570 PolarHBondContact N-O 3.18Å; Q562-R570 PolarHBondContact O-N 2.99Å; Q562-V572 HydrophobicContact CB-CG2 3.98Å
563S82.7Confident82.3Confident96 Ų9670 Ų7067%0.67136%0.359SS*.EExtended strand (participates in β ladder)trans-59.5134.1177.8-54.70000111.2
564G77.2Confident82.2Confident34 Ų3470.9 Ų70.935%0.35137%0.369SS..  trans-110.8137.1173.900000110.2Q562 V566 L568Q562-G564 PolarHBondContact O-N 2.63Å; G564-V566 VanDerWaalsContact C-N 3.3Å; G564-V566 PolarHBondContact O-N 3.36Å; G564-L568 PolarHBondContact N-O 3.01Å
565E69.3Low82Confident205 Ų20574.2 Ų74.296%0.95839%0.39SS*.SBendtrans-63.4-32.6-176.4-67.4-178.7167.100113.5
566V66.7Low82Confident116 Ų11671.9 Ų71.970%0.70339%0.385SS*.SBendtrans-120.8-28.6-174.4-173.50000113.1G564G564-V566 VanDerWaalsContact C-N 3.3Å; G564-V566 PolarHBondContact O-N 3.36Å
567N70.6Confident82.1Confident85 Ų8572.7 Ų72.746%0.45538%0.383SS..SBendtrans-117.253.9-176.7-68.1-54.1000110.6Q413 G569Q413-N567 VanDerWaalsContact NE2-C 3.35Å; Q413-N567 PolarHBondContact NE2-O 2.73Å; Q413-N567 VanDerWaalsContact OE1-C 3.31Å; Q413-N567 PolarHBondContact OE1-O 3.16Å; N567-G569 WeakPolarHBondContact O-CA 3.22Å; N567-G569 PolarHBondContact O-N 3.14Å
568L77.3Confident82.2Confident52 Ų5271.6 Ų71.627%0.27238%0.384SS..  trans47.8-55.9178.3-143.396.9000116.8I410 Q413 R414 L417 F561 G564I410-L568 HydrophobicContact CB-CD1 4.14Å; I410-L568 HydrophobicContact CG1-CD1 4.16Å; I410-L568 HydrophobicContact CG2-CD1 3.57Å; Q413-L568 HydrophobicContact CG-CB 4.02Å; R414-L568 HydrophobicContact CB-CD2 4.09Å; L417-L568 HydrophobicContact CD1-CD2 3.7Å; F561-L568 VanDerWaalsContact CZ-O 3.27Å; F561-L568 WeakPolarHBondContact CZ-O 3.22Å; G564-L568 PolarHBondContact N-O 3.01Å
569G84.6Confident82.1Confident9 Ų971.5 Ų71.59%0.09339%0.392CS..EExtended strand (participates in β ladder)trans153.7-168.9173.900000110.2Q413 Q562 N567Q413-G569 PolarHBondContact NE2-O 3.37Å; Q562-G569 CarbonylContact O-C 3.54Å; Q562-G569 WeakPolarHBondContact O-CA 3.49Å; N567-G569 WeakPolarHBondContact O-CA 3.22Å; N567-G569 PolarHBondContact O-N 3.14Å
570R85.7Confident82.2Confident99 Ų9973 Ų7337%0.37440%0.395SS..EExtended strand (participates in β ladder)trans-142.4158.4168.960.4174.2-177.91659.1110Q562 V572 E580Q562-R570 PolarHBondContact N-O 3.18Å; Q562-R570 PolarHBondContact O-N 2.99Å; R570-V572 HydrophobicContact CG-CG2 3.73Å; R570-E580 IonicContact CZ-OE1 3.74Å; R570-E580 VanDerWaalsContact CZ-OE1 3.26Å; R570-E580 IonicContact CZ-OE2 3.85Å; R570-E580 IonicContact NH1-OE1 3.27Å; R570-E580 PolarHBondContact NH1-OE1 2.97Å; R570-E580 IonicContact NH1-OE2 3.9Å; R570-E580 VanDerWaalsContact NH2-CD 3.28Å; R570-E580 IonicContact NH2-OE1 4Å; R570-E580 PolarHBondContact NH2-OE1 3.24Å; R570-E580 IonicContact NH2-OE2 3.3Å; R570-E580 PolarHBondContact NH2-OE2 3.44Å
571I85.2Confident82Confident33 Ų3371.9 Ų71.917%0.16940%0.397CS..EExtended strand (participates in β ladder)trans-84.7127.9171.4-59.9160.6000107.5L417 Q420 V421 I558 F561L417-I571 HydrophobicContact CD2-CD1 4.2Å; L417-I571 HydrophobicContact CD2-CG1 4.15Å; Q420-I571 HydrophobicContact CB-CD1 4.28Å; V421-I571 HydrophobicContact CG2-CD1 3.55Å; I558-I571 VanDerWaalsContact O-CG2 3.24Å; I558-I571 WeakPolarHBondContact O-CG2 3.42Å; F561-I571 HydrophobicContact CD2-CG1 4.35Å
572V86.3Confident81.9Confident0 Ų074.7 Ų74.70%041%0.409CS..EExtended strand (participates in β ladder)trans-128.5128.7-178.7-160.90000110G559 H560 Q562 R570 Q576 L577G559-V572 CarbonylContact C-O 3.52Å; G559-V572 VanDerWaalsContact CA-O 3.24Å; G559-V572 WeakPolarHBondContact CA-O 3.26Å; H560-V572 PolarHBondContact N-O 2.95Å; H560-V572 PolarHBondContact O-N 3.42Å; Q562-V572 HydrophobicContact CB-CG2 3.98Å; R570-V572 HydrophobicContact CG-CG2 3.73Å; V572-Q576 HydrophobicContact CG1-CB 3.98Å; V572-Q576 HydrophobicContact CG1-CG 3.99Å; V572-L577 HydrophobicContact CB-CG 4.35Å; V572-L577 HydrophobicContact CG1-CD1 4.44Å; V572-L577 HydrophobicContact CG1-CD2 3.81Å; V572-L577 HydrophobicContact CG1-CG 3.59Å
573T86.4Confident81.9Confident36 Ų3673.5 Ų73.522%0.22141%0.412CS..  trans-85153.117462.30000111N575 Q576 L577T573-N575 PolarHBondContact O-N 3.34Å; T573-Q576 WeakPolarHBondContact O-CA 3.36Å; T573-Q576 WeakPolarHBondContact O-CB 3.49Å; T573-Q576 PolarHBondContact O-N 3.48Å; T573-Q576 WeakPolarHBondContact OG1-CB 3.44Å; T573-Q576 PolarHBondContact OG1-N 2.91Å; T573-L577 PolarHBondContact O-N 3.32Å
574P84.1Confident81.8Confident57 Ų5774.9 Ų74.937%0.3741%0.406SS..Hα-helixtrans-53.9-39.7175.3-27.635.5000113.1Q576 L577 I578P574-Q576 VanDerWaalsContact C-N 3.31Å; P574-Q576 PolarHBondContact O-N 2.84Å; P574-L577 PolarHBondContact O-N 3.47Å; P574-I578 WeakPolarHBondContact O-CD1 3.48Å; P574-I578 VanDerWaalsContact O-CG1 3.25Å; P574-I578 WeakPolarHBondContact O-CG1 3.18Å; P574-I578 PolarHBondContact O-N 2.87Å
575N83Confident82Confident120 Ų12075.8 Ų75.864%0.64241%0.411SS*.Hα-helixtrans-62.9-37.9176.6-69.3-21.7000112.2T573 I578 A579T573-N575 PolarHBondContact O-N 3.34Å; N575-I578 PolarHBondContact O-N 3.19Å; N575-A579 WeakPolarHBondContact O-CB 3.3Å; N575-A579 PolarHBondContact O-N 2.8Å
576Q86.6Confident82.6Confident79 Ų7968.6 Ų68.637%0.36939%0.387SS..Hα-helixtrans-69.4-41.3176.1-173.3174.410.200111.8V572 T573 P574 I578 A579 E580V572-Q576 HydrophobicContact CG1-CB 3.98Å; V572-Q576 HydrophobicContact CG1-CG 3.99Å; T573-Q576 WeakPolarHBondContact O-CA 3.36Å; T573-Q576 WeakPolarHBondContact O-CB 3.49Å; T573-Q576 PolarHBondContact O-N 3.48Å; T573-Q576 WeakPolarHBondContact OG1-CB 3.44Å; T573-Q576 PolarHBondContact OG1-N 2.91Å; P574-Q576 VanDerWaalsContact C-N 3.31Å; P574-Q576 PolarHBondContact O-N 2.84Å; Q576-I578 VanDerWaalsContact C-N 3.33Å; Q576-I578 PolarHBondContact O-N 2.84Å; Q576-A579 PolarHBondContact O-N 3.46Å; Q576-E580 WeakPolarHBondContact O-CB 3.27Å; Q576-E580 WeakPolarHBondContact O-CG 3.49Å; Q576-E580 PolarHBondContact O-N 3.47Å
577L84.9Confident82.9Confident63 Ų6369.4 Ų69.433%0.3338%0.383SS..Hα-helixtrans-61-41.5173.4-75.9170.3000112.1V572 T573 P574 E580 S581V572-L577 HydrophobicContact CB-CG 4.35Å; V572-L577 HydrophobicContact CG1-CD1 4.44Å; V572-L577 HydrophobicContact CG1-CD2 3.81Å; V572-L577 HydrophobicContact CG1-CG 3.59Å; T573-L577 PolarHBondContact O-N 3.32Å; P574-L577 PolarHBondContact O-N 3.47Å; L577-E580 PolarHBondContact O-N 2.89Å; L577-S581 WeakPolarHBondContact O-CB 3.44Å; L577-S581 PolarHBondContact O-N 3.03Å; L577-S581 PolarHBondContact O-OG 2.86Å
578I86Confident82.7Confident83 Ų8372.1 Ų72.143%0.42639%0.391SS..Hα-helixtrans-64.9-40.7176.2-66.8163.6000110.7P574 N575 Q576 S581 K582P574-I578 WeakPolarHBondContact O-CD1 3.48Å; P574-I578 VanDerWaalsContact O-CG1 3.25Å; P574-I578 WeakPolarHBondContact O-CG1 3.18Å; P574-I578 PolarHBondContact O-N 2.87Å; N575-I578 PolarHBondContact O-N 3.19Å; Q576-I578 VanDerWaalsContact C-N 3.33Å; Q576-I578 PolarHBondContact O-N 2.84Å; I578-S581 PolarHBondContact O-OG 3.46Å; I578-K582 HydrophobicContact CG2-CD 4.21Å; I578-K582 WeakPolarHBondContact O-CB 3.44Å; I578-K582 VanDerWaalsContact O-CG 3.25Å; I578-K582 WeakPolarHBondContact O-CG 3.18Å; I578-K582 PolarHBondContact O-N 3.47Å
579A84.3Confident82.1Confident58 Ų5874 Ų7448%0.47940%0.404SS..Hα-helixtrans-65.1-43.2175.900000111.7N575 Q576 K582 A583N575-A579 WeakPolarHBondContact O-CB 3.3Å; N575-A579 PolarHBondContact O-N 2.8Å; Q576-A579 PolarHBondContact O-N 3.46Å; A579-K582 PolarHBondContact O-N 3.33Å; A579-A583 WeakPolarHBondContact O-CB 3.43Å; A579-A583 PolarHBondContact O-N 3.42Å
580E85.6Confident80.9Confident48 Ų4878.5 Ų78.522%0.22443%0.426CS..Hα-helixtrans-66.5-40177.6-73.9-178.2-178.500112.5R570 Q576 L577 A583 K584R570-E580 IonicContact CZ-OE1 3.74Å; R570-E580 VanDerWaalsContact CZ-OE1 3.26Å; R570-E580 IonicContact CZ-OE2 3.85Å; R570-E580 IonicContact NH1-OE1 3.27Å; R570-E580 PolarHBondContact NH1-OE1 2.97Å; R570-E580 IonicContact NH1-OE2 3.9Å; R570-E580 VanDerWaalsContact NH2-CD 3.28Å; R570-E580 IonicContact NH2-OE1 4Å; R570-E580 PolarHBondContact NH2-OE1 3.24Å; R570-E580 IonicContact NH2-OE2 3.3Å; R570-E580 PolarHBondContact NH2-OE2 3.44Å; Q576-E580 WeakPolarHBondContact O-CB 3.27Å; Q576-E580 WeakPolarHBondContact O-CG 3.49Å; Q576-E580 PolarHBondContact O-N 3.47Å; L577-E580 PolarHBondContact O-N 2.89Å; E580-A583 PolarHBondContact O-N 3.39Å; E580-K584 WeakPolarHBondContact O-CB 3.31Å; E580-K584 WeakPolarHBondContact O-CG 3.05Å; E580-K584 PolarHBondContact O-N 3.42Å
581S83.9Confident79.6Confident66 Ų6677.6 Ų77.646%0.46243%0.432SS..Hα-helixtrans-66.2-40.1176.568.70000111.5L577 I578 K584 A585L577-S581 WeakPolarHBondContact O-CB 3.44Å; L577-S581 PolarHBondContact O-N 3.03Å; L577-S581 PolarHBondContact O-OG 2.86Å; I578-S581 PolarHBondContact O-OG 3.46Å; S581-K584 PolarHBondContact O-N 3.35Å; S581-A585 WeakPolarHBondContact O-CB 3.38Å; S581-A585 PolarHBondContact O-N 3.19Å
582K85.7Confident78.2Confident151 Ų15183 Ų8366%0.65746%0.456SS*.Hα-helixtrans-61.9-43.1171.8-74.6175.9-179.9-178.50112I578 A579 A585 A586I578-K582 HydrophobicContact CG2-CD 4.21Å; I578-K582 WeakPolarHBondContact O-CB 3.44Å; I578-K582 VanDerWaalsContact O-CG 3.25Å; I578-K582 WeakPolarHBondContact O-CG 3.18Å; I578-K582 PolarHBondContact O-N 3.47Å; A579-K582 PolarHBondContact O-N 3.33Å; K582-A585 PolarHBondContact O-N 2.84Å; K582-A586 PolarHBondContact O-N 2.85Å
583A83.1Confident76.8Confident53 Ų5388.3 Ų88.344%0.43849%0.488SS..Hα-helixtrans-65.4-43.4177.300000112.4A579 E580 A586 Q587A579-A583 WeakPolarHBondContact O-CB 3.43Å; A579-A583 PolarHBondContact O-N 3.42Å; E580-A583 PolarHBondContact O-N 3.39Å; A583-A586 PolarHBondContact O-N 2.85Å; A583-Q587 PolarHBondContact O-N 3.4Å
584K82.3Confident75.3Confident125 Ų12594.4 Ų94.454%0.54351%0.514SS..Hα-helixtrans-62.5-43.5174.5-75.7177.8-179.4177.20111.8E580 S581 A586 Q587 F588E580-K584 WeakPolarHBondContact O-CB 3.31Å; E580-K584 WeakPolarHBondContact O-CG 3.05Å; E580-K584 PolarHBondContact O-N 3.42Å; S581-K584 PolarHBondContact O-N 3.35Å; K584-A586 VanDerWaalsContact C-N 3.3Å; K584-A586 PolarHBondContact O-N 2.86Å; K584-Q587 WeakPolarHBondContact O-CB 3.38Å; K584-Q587 PolarHBondContact O-N 2.82Å; K584-Q587 VanDerWaalsContact O-N 3.14Å; K584-F588 VanDerWaalsContact O-CD2 3.24Å; K584-F588 WeakPolarHBondContact O-CD2 3.33Å; K584-F588 PolarHBondContact O-N 3Å; K584-F588 VanDerWaalsContact O-N 3.09Å
585A81.2Confident73.7Confident54 Ų5496.3 Ų96.345%0.44653%0.525SS..Hα-helixtrans-59.4-41.5175.400000111.5S581 K582 Q587 F588 V589S581-A585 WeakPolarHBondContact O-CB 3.38Å; S581-A585 PolarHBondContact O-N 3.19Å; K582-A585 PolarHBondContact O-N 2.84Å; A585-Q587 VanDerWaalsContact C-N 3.33Å; A585-Q587 PolarHBondContact O-N 2.95Å; A585-F588 PolarHBondContact O-N 2.9Å; A585-V589 WeakPolarHBondContact O-CG2 3.46Å; A585-V589 PolarHBondContact O-N 3.37Å
586A80.5Confident71.7Confident54 Ų5493.5 Ų93.545%0.44652%0.524SS..Hα-helixtrans-64.1-34.6175.400000113.2K582 A583 K584 V589 N590K582-A586 PolarHBondContact O-N 2.85Å; A583-A586 PolarHBondContact O-N 2.85Å; K584-A586 VanDerWaalsContact C-N 3.3Å; K584-A586 PolarHBondContact O-N 2.86Å; A586-V589 PolarHBondContact O-N 3.21Å; A586-N590 PolarHBondContact O-N 2.93Å
587Q74.7Confident69.6Low133 Ų13396.1 Ų96.162%0.62155%0.548SS*.Hα-helixtrans-66.1-43.8174.2-73.4178.9-10.500112.3A583 K584 A585 V589 N590 T591A583-Q587 PolarHBondContact O-N 3.4Å; K584-Q587 WeakPolarHBondContact O-CB 3.38Å; K584-Q587 PolarHBondContact O-N 2.82Å; K584-Q587 VanDerWaalsContact O-N 3.14Å; A585-Q587 VanDerWaalsContact C-N 3.33Å; A585-Q587 PolarHBondContact O-N 2.95Å; Q587-V589 VanDerWaalsContact C-N 3.32Å; Q587-V589 PolarHBondContact O-N 2.79Å; Q587-N590 PolarHBondContact O-N 2.8Å; Q587-T591 PolarHBondContact O-N 3.41Å; Q587-T591 PolarHBondContact O-OG1 3.11Å
588F66Low68Low141 Ų141101.8 Ų101.862%0.61857%0.573SS**Hα-helixtrans-63.4-37175.5-78.2-70.7000112.5K584 A585 T591 H592K584-F588 VanDerWaalsContact O-CD2 3.24Å; K584-F588 WeakPolarHBondContact O-CD2 3.33Å; K584-F588 PolarHBondContact O-N 3Å; K584-F588 VanDerWaalsContact O-N 3.09Å; A585-F588 PolarHBondContact O-N 2.9Å; F588-T591 WeakPolarHBondContact CA-OG1 3.5Å; F588-T591 PolarHBondContact O-OG1 2.84Å; F588-T591 VanDerWaalsContact O-OG1 3.07Å; F588-H592 WeakPolarHBondContact O-CB 3.15Å; F588-H592 PolarHBondContact O-N 2.86Å
589V64.3Low66.3Low91 Ų91106 Ų10655%0.55260%0.595SS**Hα-helixtrans-65.2-42.8174.1174.70000110.4A585 A586 Q587 H592 V593A585-V589 WeakPolarHBondContact O-CG2 3.46Å; A585-V589 PolarHBondContact O-N 3.37Å; A586-V589 PolarHBondContact O-N 3.21Å; Q587-V589 VanDerWaalsContact C-N 3.32Å; Q587-V589 PolarHBondContact O-N 2.79Å; V589-H592 PolarHBondContact O-N 3.32Å; V589-V593 HydrophobicContact CG1-CG2 4.26Å; V589-V593 WeakPolarHBondContact O-CB 3.3Å; V589-V593 WeakPolarHBondContact O-CG2 3.43Å; V589-V593 PolarHBondContact O-N 2.82Å
590N59.2Low64.6Low104 Ų104111.5 Ų111.556%0.55662%0.615SS**Hα-helixtrans-66.6-37.3177.6-85.8-20.1000113.5A586 Q587 Q594A586-N590 PolarHBondContact O-N 2.93Å; Q587-N590 PolarHBondContact O-N 2.8Å; N590-Q594 WeakPolarHBondContact O-CG 2.91Å; N590-Q594 PolarHBondContact O-N 3.41Å
591T58.7Low62.6Low81 Ų81118.8 Ų118.850%0.49765%0.646SS.*Hα-helixtrans-70.6-37.1176.449.20000112.1Q587 F588 Q594Q587-T591 PolarHBondContact O-N 3.41Å; Q587-T591 PolarHBondContact O-OG1 3.11Å; F588-T591 WeakPolarHBondContact CA-OG1 3.5Å; F588-T591 PolarHBondContact O-OG1 2.84Å; F588-T591 VanDerWaalsContact O-OG1 3.07Å; T591-Q594 PolarHBondContact O-N 3.36Å
592H55.7Low60.8Low145 Ų145121.6 Ų121.667%0.67166%0.66SS**Hα-helixtrans-71.4-30.9174.1-105.1-72.6000113.6F588 V589 Q594 T595F588-H592 WeakPolarHBondContact O-CB 3.15Å; F588-H592 PolarHBondContact O-N 2.86Å; V589-H592 PolarHBondContact O-N 3.32Å; H592-Q594 VanDerWaalsContact C-N 3.25Å; H592-Q594 PolarHBondContact O-N 3.49Å; H592-T595 PolarHBondContact O-N 2.86Å; H592-T595 PolarHBondContact O-OG1 3.27Å
593V57.5Low58.9Low112 Ų112122.4 Ų122.468%0.67967%0.671SS**Hα-helixtrans-72-20.6175.3170.10000111.8V589V589-V593 HydrophobicContact CG1-CG2 4.26Å; V589-V593 WeakPolarHBondContact O-CB 3.3Å; V589-V593 WeakPolarHBondContact O-CG2 3.43Å; V589-V593 PolarHBondContact O-N 2.82Å
594Q54Low57.7Low165 Ų165125.3 Ų125.377%0.77169%0.685SS**THydrogen-bonded Turntrans-88.9-9.7175.8-70.5-179.10.100114.1N590 T591 H592 G596N590-Q594 WeakPolarHBondContact O-CG 2.91Å; N590-Q594 PolarHBondContact O-N 3.41Å; T591-Q594 PolarHBondContact O-N 3.36Å; H592-Q594 VanDerWaalsContact C-N 3.25Å; H592-Q594 PolarHBondContact O-N 3.49Å; Q594-G596 PolarHBondContact O-N 2.97Å
595T49.8Very low56.5Low97 Ų97125.1 Ų125.160%0.59570%0.697SS**SBendtrans-95.186.2173.554.30000111.7H592H592-T595 PolarHBondContact O-N 2.86Å; H592-T595 PolarHBondContact O-OG1 3.27Å
596G42Very low55.4Low61 Ų61128.5 Ų128.563%0.62971%0.714SS**  trans74.3109.4149.200000119.3Q594Q594-G596 PolarHBondContact O-N 2.97Å
597P42.2Very low53.6Low133 Ų133136.5 Ų136.586%0.86474%0.739SS**  trans-94.198.9176.334.8-26.5000111.5
598E50.7Low52.5Low183 Ų183133.6 Ų133.686%0.85575%0.745SS**  trans-128.95.9176.1-82.8-96.3146.900114.5
599L50.8Low51.7Low170 Ų170132 Ų13289%0.8976%0.757SS**  trans-133.323-166.7-84.4165.2000119.1
600I48Very low50.8Low175 Ų175135.3 Ų135.390%0.89777%0.771SS**  trans-117.696.1175.3-52.5178.7000112
601K45.4Very low50.1Low200 Ų200138 Ų13887%0.8779%0.785SS**  trans-93.4104.9163.5-91.8-179.4177.2174.60110.8
602T45.6Very low49.4Very low125 Ų125143.2 Ų143.277%0.76780%0.803SS**  trans43110.7139.361.20000120.7
603L45.5Very low48.8Very low169 Ų169146.5 Ų146.589%0.88581%0.81SS**  trans-124.7139.2146.1-80.3168.4000109.3
604P57.9Low47.8Very low114 Ų114146.1 Ų146.174%0.7482%0.818SS**PPolyproline II helixtrans-83.1156.2-173.533.5-33.1000112.7
605P56.5Low47.4Very low121 Ų121143.6 Ų143.679%0.78681%0.809SS**PPolyproline II helixtrans-84.3144.4-168.733.2-33.2000113.1
606P59.1Low46.9Very low125 Ų125148 Ų14881%0.81282%0.822SS**PPolyproline II helixtrans-81.2143.4174.231.5-30.5000112.1G608P606-G608 PolarHBondContact O-N 3.33Å
607K42.8Very low47.1Very low221 Ų221149.7 Ų149.796%0.96182%0.821SS**SBendtrans-65118176.1-69.6176.1176.9177.20110.4
608G51.5Low47.3Very low73 Ų73149.7 Ų149.775%0.75381%0.813SS**  trans164.3-9.8170.900000118.8P606 L610P606-G608 PolarHBondContact O-N 3.33Å; G608-L610 PolarHBondContact O-N 3.36Å; G608-L610 VanDerWaalsContact O-N 3.08Å
609A48.6Very low46.9Very low106 Ų106149.8 Ų149.888%0.87681%0.811SS**  trans-87.579.7-174.300000113
610L44.8Very low46.6Very low161 Ų161148.4 Ų148.484%0.84380%0.804SS**  trans-90138.3155.5-78.8168.6000108.4G608G608-L610 PolarHBondContact O-N 3.36Å; G608-L610 VanDerWaalsContact O-N 3.08Å
611L44.6Very low46.3Very low160 Ų160147.7 Ų147.784%0.83880%0.802SS**  trans82.792175.3-51.2160.7000114.9
612H44.6Very low46.1Very low192 Ų192142.2 Ų142.289%0.88979%0.794SS**  -169.5128.2109.6-106.1-89.4000111.5
613R42.7Very low45.9Very low214 Ų214143.7 Ų143.781%0.80880%0.797SS**  trans-30.9129.3173.3-112.4164.1164.4169.1-5.2115.5I615R613-I615 HydrophobicContact CB-CG1 4.42Å; R613-I615 HydrophobicContact CG-CG1 4.33Å
614A37.6Very low45.7Very low103 Ų103142.9 Ų142.985%0.85179%0.793SS**  trans-70.9120.114500000108.5
615I44.9Very low45.1Very low113 Ų113145.7 Ų145.758%0.57980%0.802SS**  trans-125.7108.9154.2-60.8-179.5000105.7R613 V617R613-I615 HydrophobicContact CB-CG1 4.42Å; R613-I615 HydrophobicContact CG-CG1 4.33Å; I615-V617 HydrophobicContact CG2-CG2 3.67Å; I615-V617 PolarHBondContact O-N 2.97Å
616Q38.2Very low44.3Very low188 Ų188147.4 Ų147.488%0.87980%0.804SS**  trans-67.8109.5166.5-160.9172.60.100106.3
617V46.5Very low43.1Very low98 Ų98153.4 Ų153.459%0.59481%0.811SS**  trans-110.8109.3172.2-174.50000107.1I615 F619I615-V617 HydrophobicContact CG2-CG2 3.67Å; I615-V617 PolarHBondContact O-N 2.97Å; V617-F619 WeakPolarHBondContact O-CD2 3.44Å; V617-F619 PolarHBondContact O-N 2.78Å
618D46.1Very low42.8Very low133 Ų133146.2 Ų146.271%0.71180%0.8SS**  trans-59.7115.7170.5-88.3-36.1000110.1L620D618-L620 PolarHBondContact O-N 3.44Å
619F42.7Very low42.3Very low185 Ų185149.5 Ų149.581%0.81181%0.805SS**  trans-80.148.4173.7-76.4-80000112.3V617 N621V617-F619 WeakPolarHBondContact O-CD2 3.44Å; V617-F619 PolarHBondContact O-N 2.78Å; F619-N621 VanDerWaalsContact C-N 3.29Å; F619-N621 PolarHBondContact O-N 3.06Å
620L44.7Very low41.6Very low141 Ų141153.6 Ų153.674%0.73881%0.806SS**THydrogen-bonded Turntrans-859.5177.4-108.1157.7000114.4D618D618-L620 PolarHBondContact O-N 3.44Å
621N40.9Very low41.1Very low159 Ų159152.5 Ų152.585%0.8581%0.806SS**THydrogen-bonded Turntrans-12926-174.7-83.3-10.9000116.1F619F619-N621 VanDerWaalsContact C-N 3.29Å; F619-N621 PolarHBondContact O-N 3.06Å
622A41.2Very low40.6Very low86 Ų86154 Ų15471%0.71181%0.809SS**SBendtrans-123.818.1176.400000114.8
623N41.4Very low40Very low155 Ų155150 Ų15083%0.82980%0.803SS**SBendtrans-12228.4-174.3-107.7-22.2000113.9
624L43.2Very low39.7Very low152 Ų152145.3 Ų145.380%0.79680%0.8SS**SBendtrans-13116.5-173-76.8174.3000117
625D43.9Very low39.5Very low173 Ų173146.4 Ų146.493%0.92580%0.797SS**SBendtrans-121.859.3161.6-77.2-34.7000109.8
626D40.7Very low39Very low157 Ų157146.9 Ų146.984%0.8480%0.804SS**  trans-13869.2167.1-146.4-2.2000109.1
627R34.2Very low38.7Very low252 Ų252142.8 Ų142.895%0.95179%0.792SS**  trans-138.8104.8173.9-89.4-170.6144.3156.1-3.1110.2
628G36.3Very low38.2Very low70 Ų70144.7 Ų144.772%0.72280%0.799SS**SBendtrans109.196.4170.600000111.2
629T41.3Very low37.8Very low142 Ų142144.9 Ų144.987%0.87180%0.799SS**  -147.510850.640.80000111.3T631T629-T631 PolarHBondContact O-N 3.33Å
630Q32.3Very low37.3Very low191 Ų191144.9 Ų144.989%0.89380%0.799SS**  trans-66.6113.8152.3-74.7175.9-15.700108.7
631T35.1Very low36.9Very low138 Ų138145.5 Ų145.585%0.84780%0.803SS**  trans-148.486131.444.90000106.9T629T629-T631 PolarHBondContact O-N 3.33Å
632E33.4Very low36.6Very low191 Ų191147 Ų14789%0.89380%0.802SS**  trans-66.8134.3156.1-66.4179167.200108.7
633S32.7Very low36.5Very low110 Ų110152.9 Ų152.977%0.76981%0.812SS**  trans-127.5127.1143.556.50000106.2
634P36.6Very low36.7Very low114 Ų114152.3 Ų152.374%0.7481%0.807SS**  trans-73.8142.5-163.130.2-34.1000111.6V636P634-V636 PolarHBondContact O-N 2.72Å
635T33Very low36.5Very low127 Ų127152.2 Ų152.278%0.77981%0.807SS**  trans-52.6118.5161.5-16.40000109.7
636V33.9Very low36.4Very low122 Ų122148.5 Ų148.574%0.73980%0.801SS**  trans-125.580.3156.2-175.30000107.2P634P634-V636 PolarHBondContact O-N 2.72Å
637T33.6Very low36.3Very low103 Ų103144.2 Ų144.263%0.63279%0.793SS**  trans-101.990.7157.421.60000107.4I639T637-I639 PolarHBondContact O-N 3.27Å; T637-I639 VanDerWaalsContact O-N 3.16Å
638N34.4Very low36.7Very low137 Ų137138.3 Ų138.373%0.73379%0.786SS**  trans-69.497.5155.1-93.7-26.5000107.4
639I37.7Very low37Very low137 Ų137142.9 Ų142.970%0.70379%0.788SS**  trans-92.4104.5158.8-66.3174.8000106.1T637 N641T637-I639 PolarHBondContact O-N 3.27Å; T637-I639 VanDerWaalsContact O-N 3.16Å; I639-N641 PolarHBondContact O-N 3.38Å
640F33.1Very low36.9Very low186 Ų186146 Ų14682%0.81679%0.785SS**  trans-62.7115158.7-88.6-91.3000108.2
641N36.7Very low37.3Very low153 Ų153143 Ų14382%0.81878%0.779SS**  trans-162.879.1151.5-94.3-25.8000108.4I639I639-N641 PolarHBondContact O-N 3.38Å
642F35Very low37.5Very low190 Ų190141.2 Ų141.283%0.83377%0.773SS**  trans-85.6115.8161.8-101.2-89.1000108.3I644F642-I644 HydrophobicContact CD1-CD1 3.78Å; F642-I644 HydrophobicContact CD1-CG1 4.1Å; F642-I644 HydrophobicContact CE1-CD1 3.63Å; F642-I644 HydrophobicContact CE1-CG1 4.44Å
643K37.4Very low37.8Very low211 Ų211137.2 Ų137.292%0.91777%0.766SS**  trans-128.397.2160.6-152.9177.9-173.6-177.20105.8
644I45.9Very low38Very low143 Ų143139.3 Ų139.373%0.73377%0.768SS**  trans-122.5130.2170.9-63.9179.5000107.1F642F642-I644 HydrophobicContact CD1-CD1 3.78Å; F642-I644 HydrophobicContact CD1-CG1 4.1Å; F642-I644 HydrophobicContact CE1-CD1 3.63Å; F642-I644 HydrophobicContact CE1-CG1 4.44Å
645D39.9Very low38.2Very low150 Ų150140.9 Ų140.980%0.80278%0.776SS**  trans-93.1148.6-173-152.1-6.9000111.5
646A41.9Very low38.8Very low95 Ų95142.1 Ų142.179%0.78578%0.778SS**  trans42.4128.1159.600000123
647G38.3Very low39.3Very low66 Ų66141.4 Ų141.468%0.6878%0.776SS**  trans132.888.3130.300000120.4
648T43Very low39.5Very low129 Ų129142.6 Ų142.679%0.79179%0.785SS**  trans67.4113.6137.653.90000124.3
649Q40.8Very low39.6Very low165 Ų165143 Ų14377%0.77179%0.792SS**  85.7148122.9-71.8-176.7-7.700123.3
650Y39.5Very low39.7Very low209 Ų209141.4 Ų141.482%0.8279%0.793SS**  trans91.992.4177.7-67.7-84.1000116.2
651V40.3Very low39.9Very low126 Ų126140.1 Ų140.176%0.76479%0.793SS**  80.198.973.9178.80000114.3
652S39.6Very low40Very low101 Ų101142 Ų14271%0.70679%0.79SS**  trans38.4125.7147.866.10000122.7
653S40.3Very low40.2Very low107 Ų107143 Ų14375%0.74879%0.788SS**  175.5122.397.2-84.40000112.2
654D37.8Very low40.2Very low154 Ų154137.6 Ų137.682%0.82478%0.777SS**  trans15.2129.8154.6-50.7-32.7000121.4
655V39.6Very low39.6Very low148 Ų148137.8 Ų137.890%0.89778%0.778SS**  177.3136.1128.4159.70000110.7
656N45.9Very low39.6Very low153 Ų153139.4 Ų139.482%0.81878%0.778SS**PPolyproline II helixtrans-48.1157.9-170.7-86.6-37.4000120.1
657P45.1Very low39.6Very low107 Ų107143.7 Ų143.770%0.69578%0.781SS**PPolyproline II helixtrans-84.6156.2174.936.3-33000112.9
658P37.9Very low39.7Very low128 Ų128147.9 Ų147.983%0.83179%0.787SS**PPolyproline II helixtrans-89.5133.6-174.733.8-30.8000113
659V36.7Very low39.7Very low145 Ų145149.1 Ų149.188%0.87979%0.787SS**  trans-107.7111.6164.8179.60000108
660S39.1Very low40Very low103 Ų103147.7 Ų147.772%0.7279%0.79SS**  trans-177.3115.5157.557.40000112.5
661I38Very low40Very low159 Ų159146.4 Ų146.482%0.81579%0.791SS**  trans-146.3106.9147.3-63.6-171000109.2
662Y38.2Very low40.1Very low194 Ų194153.9 Ų153.976%0.76181%0.814SS**  trans49.9135145.9-69.8-104.1000119.5
663R39.7Very low40.2Very low211 Ų211156.6 Ų156.680%0.79682%0.819SS**  cis-173.3128.441.5-123.7152.7-154-102.27.7111.7
664S35.9Very low40.2Very low96 Ų96159.2 Ų159.267%0.67182%0.823SS**  trans49.6124.7138.866.60000123
665I35.1Very low40.3Very low147 Ų147159.4 Ų159.475%0.75482%0.823SS**  169.1121.4110.9-84.3158.1000112.4
666K38.7Very low40.3Very low185 Ų185160.1 Ų160.180%0.80482%0.818SS**  trans50.3107.8152-67.3175.5177.21790120.4
667Q42.6Very low40Very low184 Ų184160.6 Ų160.686%0.8682%0.818SS**  65.6119.180.8-91.6-174.3-17.900117.5
668I40.6Very low39.6Very low155 Ų155164.1 Ų164.180%0.79583%0.826SS**  trans149.996.6140.4-74.2157.3000107.4
669L42.7Very low39.8Very low154 Ų154166.7 Ų166.781%0.80683%0.826SS**  54.2122.996.8-80.9155.9000112.3
670V47.9Very low40Very low135 Ų135168.4 Ų168.482%0.81882%0.822SS**  -165.7146.766165.60000110.3
671Q37.7Very low40.1Very low182 Ų182173.8 Ų173.885%0.8583%0.831SS**  trans-69132.6173.8-66.6166-49.700113.7
672K44.2Very low40.3Very low284 Ų284175.2 Ų175.2100%1.23583%0.832SS**  -162.90115.2-119.8-176.9-177.2-179.10110.6

Retrieved 672 of 672 residues in 237.5 ms (Link to these results)

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