A0A087YIR6_POEFO Loading...

ubiquitinyl hydrolase 1

Ubiquitin thioesterase, which specifically hydrolyzes 'Lys-29'-linked and 'Lys-33'-linked diubiquitin. Also cleaves 'Lys-63'-linked chains, but with 40-fold less efficiency compared to 'Lys-29'-linked ones. Positive regulator of the Wnt signaling pathway that deubiquitinates APC protein, a negative regulator of Wnt-mediated transcription. Acts as a regulator of autophagy by mediating deubiquitination of PIK3C3/VPS34, thereby promoting autophagosome maturation. Plays a role in the regulation of cell morphology and cytoskeletal organization. Required in the stress fiber dynamics and cell migration.

AlphaFold DB , UniProt , Accession A0A087YIR6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 775 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.2Very low58.3Low247 Ų247111.9 Ų111.9100%1.21761%0.611SS**  0114.30-75.1175.8-84.900107.4
2T33.9Very low58.2Low137 Ų137115.3 Ų115.384%0.8461%0.61SS**  trans-106.3125.8165.841.30000106.4L4T2-L4 PolarHBondContact O-N 2.64Å
3E34.7Very low58.7Low180 Ų180109 Ų10984%0.84158%0.58SS**  trans-67.2133177.2-65.4175.9134.500109.6V5E3-V5 VanDerWaalsContact C-N 3.27Å; E3-V5 WeakPolarHBondContact O-CG2 3.32Å; E3-V5 PolarHBondContact O-N 3.21Å
4L41.9Very low59.1Low176 Ų176104.8 Ų104.892%0.92156%0.561SS**  trans-74.484.5171.5-76.7166000108.2T2 A6T2-L4 PolarHBondContact O-N 2.64Å; L4-A6 PolarHBondContact O-N 3.14Å
5V53.1Low59.8Low92 Ų92103.6 Ų103.656%0.55855%0.546SS*.  trans-69.9100.2-177.4-151.40000109.2E3 K7 P19E3-V5 VanDerWaalsContact C-N 3.27Å; E3-V5 WeakPolarHBondContact O-CG2 3.32Å; E3-V5 PolarHBondContact O-N 3.21Å; V5-K7 PolarHBondContact O-N 3.15Å; V5-P19 HydrophobicContact CB-CG 4.01Å; V5-P19 HydrophobicContact CG1-CB 3.97Å; V5-P19 HydrophobicContact CG1-CG 3.67Å; V5-P19 WeakPolarHBondContact O-CG 3.18Å
6A64.8Low60.9Low82 Ų82104.1 Ų104.168%0.67855%0.545SS*.  trans-60.1115.1-170.300000112.5L4 P19L4-A6 PolarHBondContact O-N 3.14Å; A6-P19 WeakPolarHBondContact O-CG 3.26Å
7K78.8Confident61.7Low93 Ų9397.9 Ų97.940%0.40451%0.513SS..  trans-61.2161.8173.9-61-179.6-158.7163.50110.9V5 E16 N17V5-K7 PolarHBondContact O-N 3.15Å; K7-E16 HydrophobicContact CB-CB 4.2Å; K7-E16 HydrophobicContact CD-CB 3.64Å; K7-E16 HydrophobicContact CD-CG 4.33Å; K7-E16 WeakPolarHBondContact CD-OE2 3.37Å; K7-E16 IonicContact NZ-OE2 2.66Å; K7-E16 PolarHBondContact NZ-OE2 3.27Å; K7-N17 CarbonylContact C-O 3.59Å; K7-N17 VanDerWaalsContact CA-O 3.29Å; K7-N17 WeakPolarHBondContact CA-O 3.26Å; K7-N17 VanDerWaalsContact CB-O 3.26Å; K7-N17 WeakPolarHBondContact CB-O 3.21Å
8W81.9Confident62.2Low21 Ų21101.9 Ų101.98%0.0852%0.52CS..EExtended strand (participates in β ladder)trans-115.3122.7173.665.1-84000111.4C10 N17 W18 A21 C24 R31W8-C10 HydrophobicContact CZ3-CB 4.3Å; W8-N17 HydrophobicContact CD2-CB 3.8Å; W8-N17 HydrophobicContact CE3-CB 4.43Å; W8-N17 HydrophobicContact CG-CB 4.18Å; W8-N17 HydrophobicContact CH2-CB 4.26Å; W8-N17 HydrophobicContact CZ2-CB 3.59Å; W8-N17 PolarHBondContact N-O 3.25Å; W8-N17 WeakPolarHBondContact O-CB 3.37Å; W8-N17 PolarHBondContact O-N 2.84Å; W8-N17 PolarHBondContact O-ND2 2.59Å; W8-W18 PolarHBondContact NE1-O 2.97Å; W8-W18 VanDerWaalsContact NE1-O 3.13Å; W8-A21 HydrophobicContact CZ2-CB 4.24Å; W8-A21 WeakPolarHBondContact CZ2-O 3.5Å; W8-A21 PolarHBondContact NE1-O 3.04Å; W8-C24 HydrophobicContact CH2-CB 4.16Å; W8-R31 HydrophobicContact CD2-CB 4.32Å; W8-R31 HydrophobicContact CD2-CG 3.71Å; W8-R31 HydrophobicContact CE3-CB 4.38Å; W8-R31 HydrophobicContact CE3-CG 3.94Å; W8-R31 HydrophobicContact CG-CG 4.25Å; W8-R31 HydrophobicContact CH2-CB 3.72Å; W8-R31 HydrophobicContact CH2-CG 4.17Å; W8-R31 HydrophobicContact CZ2-CB 3.62Å; W8-R31 HydrophobicContact CZ2-CG 3.94Å; W8-R31 HydrophobicContact CZ3-CB 4.1Å; W8-R31 HydrophobicContact CZ3-CG 4.16Å
9A80.2Confident62.9Low63 Ų6398.3 Ų98.352%0.52150%0.504SS..EExtended strand (participates in β ladder)trans-66.4141.8171.800000110.5T14A9-T14 WeakPolarHBondContact CB-O 3.43Å
10C72.4Confident63.2Low3 Ų398.8 Ų98.82%0.0252%0.516CS..  trans-83.1123.1176.3179.80000111.7W8 Y12 C13 T14 Y15 C24 C27W8-C10 HydrophobicContact CZ3-CB 4.3Å; C10-Y12 PolarHBondContact O-N 3.25Å; C10-C13 PolarHBondContact O-N 3.35Å; C10-C13 VanDerWaalsContact SG-SG 3.63Å; C10-T14 WeakPolarHBondContact O-CA 3.45Å; C10-T14 PolarHBondContact O-N 3.26Å; C10-Y15 PolarHBondContact N-O 3.34Å; C10-C24 HydrophobicContact CB-CB 3.97Å; C10-C24 VanDerWaalsContact CB-SG 3.57Å; C10-C24 VanDerWaalsContact SG-CB 3.6Å; C10-C27 PolarHBondContact SG-SG 3Å
11E69.3Low63.7Low137 Ų13795.1 Ų95.164%0.6450%0.5SS*.THydrogen-bonded Turntrans-56-21.2178.2-65.5174.2166.900114.6P32E11-P32 HydrophobicContact CG-CG 3.8Å; E11-P32 WeakPolarHBondContact OE1-CB 3.46Å; E11-P32 WeakPolarHBondContact OE1-CG 3.3Å; E11-P32 WeakPolarHBondContact OE2-CG 3.36Å
12Y57.8Low66Low152 Ų15289.8 Ų89.860%0.59648%0.475SS*.THydrogen-bonded Turntrans-101-15.1-175.8-63-99.4000114.6C10 A29C10-Y12 PolarHBondContact O-N 3.25Å; Y12-A29 HydrophobicContact CD2-CB 3.31Å; Y12-A29 HydrophobicContact CE2-CB 3.76Å; Y12-A29 HydrophobicContact CG-CB 3.84Å
13C64.5Low68Low34 Ų3488 Ų8823%0.2346%0.456CS..THydrogen-bonded Turntrans-154.313.5-17666.20000114.4C10 Y15 C27C10-C13 PolarHBondContact O-N 3.35Å; C10-C13 VanDerWaalsContact SG-SG 3.63Å; C13-Y15 PolarHBondContact O-N 2.82Å; C13-C27 HydrophobicContact CB-CB 4.44Å; C13-C27 PolarHBondContact SG-SG 2.92Å
14T64Low69.8Low50 Ų5079.6 Ų79.631%0.30742%0.417SS..  trans58.7-19.6-177.669.50000117.7A9 C10 E16A9-T14 WeakPolarHBondContact CB-O 3.43Å; C10-T14 WeakPolarHBondContact O-CA 3.45Å; C10-T14 PolarHBondContact O-N 3.26Å; T14-E16 PolarHBondContact O-N 3.22Å
15Y68.9Low71.3Confident87 Ų8773.7 Ų73.734%0.34139%0.388SS..  trans-50131-173-177.4-91.9000114.1C10 C13 N17 T25 M26C10-Y15 PolarHBondContact N-O 3.34Å; C13-Y15 PolarHBondContact O-N 2.82Å; Y15-N17 WeakPolarHBondContact CD1-OD1 3.4Å; Y15-N17 PolarHBondContact O-N 3.1Å; Y15-N17 PolarHBondContact O-ND2 3.36Å; Y15-T25 HydrophobicContact CE1-CG2 4.47Å; Y15-M26 HydrophobicContact CD1-CG 3.88Å; Y15-M26 HydrophobicContact CD2-CG 3.41Å; Y15-M26 VanDerWaalsContact CD2-CG 3.41Å; Y15-M26 HydrophobicContact CD2-SD 4.17Å; Y15-M26 HydrophobicContact CE1-CG 4.34Å; Y15-M26 HydrophobicContact CE2-CG 3.9Å; Y15-M26 HydrophobicContact CE2-SD 4.16Å; Y15-M26 HydrophobicContact CG-CB 4.36Å; Y15-M26 HydrophobicContact CG-CG 3.39Å
16E77.6Confident71.5Confident111 Ų11170.7 Ų70.752%0.51937%0.369SS..EExtended strand (participates in β ladder)trans-74.4110.2178.3-65.1-163.911600112.8K7 T14K7-E16 HydrophobicContact CB-CB 4.2Å; K7-E16 HydrophobicContact CD-CB 3.64Å; K7-E16 HydrophobicContact CD-CG 4.33Å; K7-E16 WeakPolarHBondContact CD-OE2 3.37Å; K7-E16 IonicContact NZ-OE2 2.66Å; K7-E16 PolarHBondContact NZ-OE2 3.27Å; T14-E16 PolarHBondContact O-N 3.22Å
17N74.2Confident71.3Confident0 Ų069.7 Ų69.70%036%0.356CS..EExtended strand (participates in β ladder)trans-96.1147.6179.2-60.4-76.5000112.1K7 W8 Y15 A21 C24 T25K7-N17 CarbonylContact C-O 3.59Å; K7-N17 VanDerWaalsContact CA-O 3.29Å; K7-N17 WeakPolarHBondContact CA-O 3.26Å; K7-N17 VanDerWaalsContact CB-O 3.26Å; K7-N17 WeakPolarHBondContact CB-O 3.21Å; W8-N17 HydrophobicContact CD2-CB 3.8Å; W8-N17 HydrophobicContact CE3-CB 4.43Å; W8-N17 HydrophobicContact CG-CB 4.18Å; W8-N17 HydrophobicContact CH2-CB 4.26Å; W8-N17 HydrophobicContact CZ2-CB 3.59Å; W8-N17 PolarHBondContact N-O 3.25Å; W8-N17 WeakPolarHBondContact O-CB 3.37Å; W8-N17 PolarHBondContact O-N 2.84Å; W8-N17 PolarHBondContact O-ND2 2.59Å; Y15-N17 WeakPolarHBondContact CD1-OD1 3.4Å; Y15-N17 PolarHBondContact O-N 3.1Å; Y15-N17 PolarHBondContact O-ND2 3.36Å; N17-A21 HydrophobicContact CB-CB 4.19Å; N17-C24 VanDerWaalsContact OD1-CA 3.25Å; N17-C24 WeakPolarHBondContact OD1-CA 3.37Å; N17-T25 PolarHBondContact OD1-N 2.85Å
18W71.5Confident70.7Confident169 Ų16972.2 Ų72.264%0.6436%0.363SS*.  trans-60.8148.6175.6-76.499000111.9W8 S20 A21W8-W18 PolarHBondContact NE1-O 2.97Å; W8-W18 VanDerWaalsContact NE1-O 3.13Å; W18-S20 PolarHBondContact O-N 3.25Å; W18-A21 VanDerWaalsContact O-CB 3.24Å; W18-A21 WeakPolarHBondContact O-CB 3.44Å; W18-A21 PolarHBondContact O-N 3.08Å
19P75.3Confident70Confident33 Ų3372 Ų7221%0.21437%0.366CS..THydrogen-bonded Turntrans-65.3-14.4-173.2-22.335.6000114.8V5 A6 R31V5-P19 HydrophobicContact CB-CG 4.01Å; V5-P19 HydrophobicContact CG1-CB 3.97Å; V5-P19 HydrophobicContact CG1-CG 3.67Å; V5-P19 WeakPolarHBondContact O-CG 3.18Å; A6-P19 WeakPolarHBondContact O-CG 3.26Å; P19-R31 PolarHBondContact O-NH1 2.89Å
20S70.1Confident69.9Low108 Ų10874.8 Ų74.876%0.75537%0.368SS*.THydrogen-bonded Turntrans-92.1-8.2172.952.50000114.1W18 I22W18-S20 PolarHBondContact O-N 3.25Å; S20-I22 PolarHBondContact O-N 3.45Å
21A73.4Confident70.1Confident22 Ų2279.2 Ų79.218%0.18238%0.384CS..  trans-75.8122.5179.100000110.5W8 N17 W18W8-A21 HydrophobicContact CZ2-CB 4.24Å; W8-A21 WeakPolarHBondContact CZ2-O 3.5Å; W8-A21 PolarHBondContact NE1-O 3.04Å; N17-A21 HydrophobicContact CB-CB 4.19Å; W18-A21 VanDerWaalsContact O-CB 3.24Å; W18-A21 WeakPolarHBondContact O-CB 3.44Å; W18-A21 PolarHBondContact O-N 3.08Å
22I78.5Confident70.2Confident135 Ų13574.9 Ų74.969%0.69237%0.368SS*.SBendtrans-87.1-10.5176.557.6168.6000113.4S20 R31S20-I22 PolarHBondContact O-N 3.45Å; I22-R31 PolarHBondContact O-N 3.35Å
23K74.6Confident70.4Confident101 Ų10173.8 Ų73.844%0.43938%0.382SS..BIsolated β-bridgetrans-144.7153.6177.2-63.6-167.8179.3-129.10109.4A29K23-A29 CarbonylContact C-O 3.51Å; K23-A29 VanDerWaalsContact CA-O 3.22Å; K23-A29 WeakPolarHBondContact CA-O 3.38Å
24C73.1Confident69.6Low3 Ų375.6 Ų75.62%0.0241%0.406CS..  trans-67.1134.9-179.4179.20000111.8W8 C10 N17 M26 R28 A29W8-C24 HydrophobicContact CH2-CB 4.16Å; C10-C24 HydrophobicContact CB-CB 3.97Å; C10-C24 VanDerWaalsContact CB-SG 3.57Å; C10-C24 VanDerWaalsContact SG-CB 3.6Å; N17-C24 VanDerWaalsContact OD1-CA 3.25Å; N17-C24 WeakPolarHBondContact OD1-CA 3.37Å; C24-M26 VanDerWaalsContact C-N 3.27Å; C24-M26 PolarHBondContact O-N 3.05Å; C24-M26 PolarHBondContact SG-N 2.89Å; C24-M26 VanDerWaalsContact SG-N 3.4Å; C24-R28 WeakPolarHBondContact O-CA 3.45Å; C24-R28 PolarHBondContact O-N 3.15Å; C24-A29 PolarHBondContact N-O 2.89Å
25T73.6Confident68.3Low52 Ų5276.7 Ų76.732%0.31943%0.428SS..THydrogen-bonded Turntrans-63.7-31.7177.7-59.10000112.5Y15 N17 F615Y15-T25 HydrophobicContact CE1-CG2 4.47Å; N17-T25 PolarHBondContact OD1-N 2.85Å; T25-F615 WeakPolarHBondContact O-CD1 3.4Å
26M57.2Low66.7Low29 Ų2977 Ų7714%0.14345%0.448CS..THydrogen-bonded Turntrans-82.9-72.2179.4-63.6-60.1-69.800111.6Y15 C24 Y612 L620Y15-M26 HydrophobicContact CD1-CG 3.88Å; Y15-M26 HydrophobicContact CD2-CG 3.41Å; Y15-M26 VanDerWaalsContact CD2-CG 3.41Å; Y15-M26 HydrophobicContact CD2-SD 4.17Å; Y15-M26 HydrophobicContact CE1-CG 4.34Å; Y15-M26 HydrophobicContact CE2-CG 3.9Å; Y15-M26 HydrophobicContact CE2-SD 4.16Å; Y15-M26 HydrophobicContact CG-CB 4.36Å; Y15-M26 HydrophobicContact CG-CG 3.39Å; C24-M26 VanDerWaalsContact C-N 3.27Å; C24-M26 PolarHBondContact O-N 3.05Å; C24-M26 PolarHBondContact SG-N 2.89Å; C24-M26 VanDerWaalsContact SG-N 3.4Å; M26-Y612 HydrophobicContact CE-CD2 4.3Å; M26-L620 HydrophobicContact SD-CD1 3.69Å
27C60.3Low64.5Low60 Ų6079.3 Ų79.341%0.40546%0.462SS..THydrogen-bonded Turntrans-93.41.2-171.368.60000115.5C10 C13 A29C10-C27 PolarHBondContact SG-SG 3Å; C13-C27 HydrophobicContact CB-CB 4.44Å; C13-C27 PolarHBondContact SG-SG 2.92Å; C27-A29 PolarHBondContact O-N 3.24Å; C27-A29 WeakPolarHBondContact SG-CB 3.45Å
28R66.4Low62.6Low147 Ų14785.9 Ų85.956%0.55550%0.496SS*.  trans59.55.1-174.2-60.9173159-162.5-0.7116.8C24 F615C24-R28 WeakPolarHBondContact O-CA 3.45Å; C24-R28 PolarHBondContact O-N 3.15Å; R28-F615 HydrophobicContact CG-CD1 4.03Å; R28-F615 HydrophobicContact CG-CE1 4.41Å; R28-F615 HydrophobicContact CG-CG 4.26Å; R28-F615 VanDerWaalsContact NE-CD2 3.31Å; R28-F615 VanDerWaalsContact NH2-CD2 3.25Å
29A66.9Low60.5Low17 Ų1783.9 Ų83.914%0.1450%0.503CS..PPolyproline II helixtrans-51.6142.9173.100000111.3Y12 K23 C24 C27Y12-A29 HydrophobicContact CD2-CB 3.31Å; Y12-A29 HydrophobicContact CE2-CB 3.76Å; Y12-A29 HydrophobicContact CG-CB 3.84Å; K23-A29 CarbonylContact C-O 3.51Å; K23-A29 VanDerWaalsContact CA-O 3.22Å; K23-A29 WeakPolarHBondContact CA-O 3.38Å; C24-A29 PolarHBondContact N-O 2.89Å; C27-A29 PolarHBondContact O-N 3.24Å; C27-A29 WeakPolarHBondContact SG-CB 3.45Å
30Q78.2Confident58.4Low121 Ų12189.9 Ų89.957%0.56553%0.528SS*.BIsolated β-bridgetrans-62.4146.3179.7-159.9101.1-22.700110
31R77.1Confident56.5Low96 Ų9692 Ų9236%0.36253%0.526SS..PPolyproline II helixtrans-62.5136167.6-176.9175.6179.31740.9109.6W8 P19 I22 S33W8-R31 HydrophobicContact CD2-CB 4.32Å; W8-R31 HydrophobicContact CD2-CG 3.71Å; W8-R31 HydrophobicContact CE3-CB 4.38Å; W8-R31 HydrophobicContact CE3-CG 3.94Å; W8-R31 HydrophobicContact CG-CG 4.25Å; W8-R31 HydrophobicContact CH2-CB 3.72Å; W8-R31 HydrophobicContact CH2-CG 4.17Å; W8-R31 HydrophobicContact CZ2-CB 3.62Å; W8-R31 HydrophobicContact CZ2-CG 3.94Å; W8-R31 HydrophobicContact CZ3-CB 4.1Å; W8-R31 HydrophobicContact CZ3-CG 4.16Å; P19-R31 PolarHBondContact O-NH1 2.89Å; I22-R31 PolarHBondContact O-N 3.35Å; R31-S33 PolarHBondContact O-N 2.97Å
32P70.9Confident55.2Low45 Ų4594.8 Ų94.829%0.29254%0.542SS..PPolyproline II helixtrans-62.3127.6174.4-22.134.4000110.9E11 G34E11-P32 HydrophobicContact CG-CG 3.8Å; E11-P32 WeakPolarHBondContact OE1-CB 3.46Å; E11-P32 WeakPolarHBondContact OE1-CG 3.3Å; E11-P32 WeakPolarHBondContact OE2-CG 3.36Å; P32-G34 PolarHBondContact O-N 3.07Å
33S62.2Low52.7Low130 Ų13096.7 Ų96.791%0.90955%0.546SS*.  trans-81.142.7-175.9-60.60000113.2R31R31-S33 PolarHBondContact O-N 2.97Å
34G46.9Very low50.4Low71 Ų71100.6 Ų100.673%0.73256%0.563SS**  trans-95.3109.8-179.700000112.6P32P32-G34 PolarHBondContact O-N 3.07Å
35G38.3Very low48.2Very low74 Ų74105.1 Ų105.176%0.76360%0.595SS**  trans91.386.4170.500000115.1
36A34.4Very low46Very low92 Ų92108.3 Ų108.376%0.7662%0.619SS**  trans-79118.3168.600000110.9
37I32.4Very low45.5Very low160 Ų160113 Ų11382%0.82165%0.651SS**  trans-87.9106.4163.7-62.8177.7000107.3
38I32.6Very low44.1Very low139 Ų139113.7 Ų113.771%0.71366%0.662SS**  trans-87.3115.6177.6-61.6171.7000109.2E40I38-E40 HydrophobicContact CG2-CG 4.32Å
39T28.5Very low42.4Very low126 Ų126114.4 Ų114.477%0.77368%0.676SS**  trans-140.871161.658.80000110.9
40E31Very low40.5Very low160 Ų160121.1 Ų121.175%0.74871%0.709SS**  trans-55.2153.6147.8-58.3-81.8109.200108.1I38I38-E40 HydrophobicContact CG2-CG 4.32Å
41E30.3Very low38.1Very low151 Ų151118.8 Ų118.871%0.70671%0.71SS**  cis-164.7-158.18.3-117.3-90.5104.100104.2
42P46.7Very low35.7Very low81 Ų81119.4 Ų119.453%0.52673%0.729SS.*  cis-133.1-177.2-10.619.18.1000116.3
43F25Very low33.8Very low176 Ų176124.7 Ų124.777%0.77275%0.754SS**  trans83.8134160.9-62.3-67.8000117.8
44K27.3Very low32.2Very low183 Ų183126.9 Ų126.980%0.79675%0.75SS**  cis-152.7118.523.6-122.9156.8-168174.20114.4
45S27.1Very low31.2Very low98 Ų98130.5 Ų130.569%0.68575%0.748SS**  trans38.6108.3139.562.30000123.3
46S26.2Very low30.5Very low118 Ų118137.6 Ų137.683%0.82575%0.752SS**  48.5168.7108-45.80000122.6
47P47.7Very low30Very low127 Ų127139.9 Ų139.983%0.82575%0.751SS**  cis-123-150-7.245.4-29.4000111.3
48A30.1Very low30.7Very low76 Ų76138.1 Ų138.163%0.62875%0.75SS**  cis-162.2176.5-200000110.8
49L30.1Very low30.4Very low162 Ų162135.8 Ų135.885%0.84875%0.751SS**  trans70.1137.2158.8-58.4180000118.9
50D27.8Very low30.3Very low157 Ų157136.5 Ų136.584%0.8475%0.751SS**  cis-150.4169.5-12.3-156.62.2000111.3
51A27Very low30.2Very low72 Ų72135.9 Ų135.960%0.59575%0.752SS**  trans-119.1159.7-158.500000117.3
52S28.3Very low30Very low109 Ų109133.2 Ų133.276%0.76275%0.75SS**  trans65.8147.2160.458.10000117.6
53L29.3Very low29.1Very low156 Ų156137 Ų13782%0.81777%0.766SS**  -158.3-176.452.7-121.9112.6000115.4
54H29.9Very low29.2Very low176 Ų176134 Ų13482%0.81577%0.766SS**  trans-58.9165.8-163.3-76.9-96.9000123.4
55Q25.1Very low29.6Very low147 Ų147130.7 Ų130.769%0.68776%0.763SS**  trans-70.1148.7175-155.3-176.3-2.200116.4
56W23.3Very low29.5Very low224 Ų224131 Ų13185%0.84877%0.766SS**  163.3157.2121.1-84.8-33.4000115.3
57D24.2Very low29.6Very low140 Ų140134.8 Ų134.875%0.74977%0.77SS**  trans-100.4-163.2-168.5-39.6-98.7000113
58P46.3Very low28.6Very low122 Ų122132.9 Ų132.979%0.79277%0.774SS**  cis-138.7-177.7-14.837.5-16.9000117.1
59A27.2Very low28.5Very low90 Ų90133.1 Ų133.174%0.74478%0.784SS**  trans93.9136.8142.700000125.2
60D27.2Very low28.4Very low142 Ų142131.1 Ų131.176%0.75978%0.784SS**  trans77.3107.2145.6-66.9-3.9000127.8
61L27.9Very low28.4Very low146 Ų146129.4 Ų129.476%0.76478%0.784SS**  78.8114124.1-64.9173.1000125
62S26Very low28.5Very low95 Ų95132.6 Ų132.666%0.66479%0.79SS**  trans75.4104.9136.269.40000122.4
63N28.5Very low28.6Very low162 Ų162135.9 Ų135.987%0.86680%0.798SS**  174.6155.3111.5-95.6-52.8000113.4
64S26.1Very low28.5Very low111 Ų111135 Ų13578%0.77679%0.793SS**  trans-108.2175.1176.1-51.80000110.3
65P36.3Very low28.5Very low114 Ų114132 Ų13274%0.7479%0.791SS**  cis-138.4-179.52.242.9-25.8000116.9
66S25.6Very low28.6Very low106 Ų106131.1 Ų131.174%0.74180%0.798SS**  trans99133.1142.481.20000121.5
67Q28.2Very low28.6Very low196 Ų196127.3 Ų127.392%0.91679%0.794SS**  trans64.8113.9163.7-56.9-165.511.300120.9
68G26.1Very low28.8Very low88 Ų88124.9 Ų124.991%0.90779%0.788SS**  trans116.178.7135.800000118.4
69G28.1Very low27.9Very low81 Ų81125 Ų12584%0.83579%0.791SS**  trans158.910216500000114.1
70S27.8Very low27.8Very low120 Ų120125.4 Ų125.484%0.83980%0.795SS**  trans-89.4124.2178.657.20000112.4
71S28.3Very low27.9Very low121 Ų121130.1 Ų130.185%0.84680%0.802SS**  trans-135.6138.2153.1-168.30000108.7
72L29Very low27.9Very low138 Ų138128.7 Ų128.772%0.72380%0.802SS**  trans-101.9116-166.3-67.8166.9000111.5I74L72-I74 HydrophobicContact CD2-CD1 3.85Å; L72-I74 HydrophobicContact CD2-CG1 4.16Å
73L29.4Very low28Very low179 Ų179136.1 Ų136.194%0.93782%0.815SS**  trans-94.9104.8144.4-79.4173.8000107.5
74I26.8Very low27.9Very low136 Ų136134.5 Ų134.570%0.69781%0.811SS**  trans-139.6142.3162.5-47.6-177.3000107.8L72L72-I74 HydrophobicContact CD2-CD1 3.85Å; L72-I74 HydrophobicContact CD2-CG1 4.16Å
75C31.4Very low27.9Very low114 Ų114140.2 Ų140.277%0.7782%0.815SS**  trans-57.9165.7165-45.80000111.7
76P26.9Very low27.4Very low129 Ų129140 Ų14084%0.83881%0.812SS**  trans-111.8107.9156.326.2-10.1000110.7
77D23.6Very low27.5Very low143 Ų143140.9 Ų140.977%0.76581%0.813SS**  trans-83.5158.2155.4-170.810.2000109.6
78S27.7Very low27.7Very low90 Ų90138.6 Ų138.663%0.62981%0.807SS**SBendtrans16.2124.5159-62.40000121.2
79S28.1Very low28Very low123 Ų123139.8 Ų139.886%0.8680%0.796SS**  trans59.189.2140.463.10000120
80A25.7Very low28.4Very low99 Ų99141.3 Ų141.382%0.81879%0.792SS**  trans-142.8121.8153.200000111.9
81R28.2Very low28.7Very low241 Ų241143.7 Ų143.791%0.90979%0.79SS**  trans-82.3130.6175.5-67.2-174.6-178.1-160.52.3111.3R83R81-R83 PolarHBondContact O-N 3.24Å
82P27.1Very low29.4Very low116 Ų116144.7 Ų144.775%0.75379%0.791SS**  trans-65.8120.3159.8-17.631.7000110.2V84P82-V84 PolarHBondContact O-N 3.05Å
83R29.4Very low30.6Very low251 Ų251141.7 Ų141.795%0.94778%0.781SS**  trans-74.285.5171-77.7-178172.7168.3-2.7110.5R81R81-R83 PolarHBondContact O-N 3.24Å
84V27.1Very low32.1Very low129 Ų129137 Ų13778%0.78276%0.764SS**PPolyproline II helixtrans-77.6135.4160.1-176.80000108.1P82P82-V84 PolarHBondContact O-N 3.05Å
85R24.7Very low34.6Very low230 Ų230135.8 Ų135.887%0.86875%0.753SS**PPolyproline II helixtrans-69.2135.6179.7-72.6179.8174.5167.3-2.6110.3
86V26.7Very low37Very low111 Ų111131.6 Ų131.667%0.67372%0.721SS**PPolyproline II helixtrans-69.7127.7166.2179.20000108.6D88V86-D88 VanDerWaalsContact CG1-CG 3.48Å; V86-D88 VanDerWaalsContact CG1-OD1 3.31Å; V86-D88 WeakPolarHBondContact CG1-OD1 3.06Å; V86-D88 VanDerWaalsContact CG1-OD2 3.23Å; V86-D88 WeakPolarHBondContact CG1-OD2 3.49Å
87T26.8Very low39.7Very low123 Ų123129.1 Ų129.176%0.75571%0.707SS**  trans-132100.316148.80000106.6V89T87-V89 PolarHBondContact O-N 3.19Å
88D32.1Very low42.4Very low149 Ų149122.4 Ų122.480%0.79767%0.671SS**  trans-71.894.3-172.8-63.8-64.4000112.1V86V86-D88 VanDerWaalsContact CG1-CG 3.48Å; V86-D88 VanDerWaalsContact CG1-OD1 3.31Å; V86-D88 WeakPolarHBondContact CG1-OD1 3.06Å; V86-D88 VanDerWaalsContact CG1-OD2 3.23Å; V86-D88 WeakPolarHBondContact CG1-OD2 3.49Å
89V33.3Very low44.5Very low113 Ų113122.4 Ų122.469%0.68566%0.661SS**  trans-140.3123.4160.3-172.50000108.3T87 E91T87-V89 PolarHBondContact O-N 3.19Å; V89-E91 PolarHBondContact O-N 3.09Å
90P36.4Very low46.4Very low113 Ų113122.6 Ų122.673%0.73465%0.65SS**  trans-78.290178.230.9-33.8000111.1T92P90-T92 PolarHBondContact O-N 3.01Å
91E34.3Very low48.7Very low170 Ų170120.2 Ų120.279%0.79463%0.627SS**  trans-72.871.3168.7-73.6-160.1145.500111.7V89 S93V89-E91 PolarHBondContact O-N 3.09Å; E91-S93 PolarHBondContact O-N 3.41Å
92T42.8Very low50.8Low142 Ų142114.2 Ų114.287%0.87162%0.617SS**  trans-76.528.3170.9490000113P90P90-T92 PolarHBondContact O-N 3.01Å
93S54.4Low52.9Low74 Ų74113.1 Ų113.152%0.51760%0.599SS.*  trans-123.3159.6-176.483.80000113.3E91 K95E91-S93 PolarHBondContact O-N 3.41Å; S93-K95 PolarHBondContact O-N 2.77Å
94S60.6Low55.6Low82 Ų82106.4 Ų106.457%0.57358%0.581SS**  trans73.92.2167.3-50.80000119.5P107S94-P107 WeakPolarHBondContact O-CA 3.4Å; S94-P107 WeakPolarHBondContact O-CB 3.4Å; S94-P107 VanDerWaalsContact O-CG 3.31Å; S94-P107 WeakPolarHBondContact O-CG 3.02Å
95K79.3Confident58.3Low110 Ų110100.2 Ų100.248%0.47854%0.543SS..  trans-67.2142.9158.8-71.7-172.6-178.1179.30109.6S93 L104 N105 W106S93-K95 PolarHBondContact O-N 2.77Å; K95-L104 HydrophobicContact CB-CD2 4.21Å; K95-N105 CarbonylContact C-O 3.57Å; K95-N105 VanDerWaalsContact CA-O 3.28Å; K95-N105 WeakPolarHBondContact CA-O 3.44Å; K95-N105 WeakPolarHBondContact CB-O 3.35Å; K95-W106 VanDerWaalsContact CE-CZ3 3.48Å
96W82.3Confident61Low25 Ų2597.1 Ų97.110%0.09553%0.532CS..EExtended strand (participates in β ladder)trans-115.5124-178.668.5-83.3000112C98 N105 W106 A109 C112 R119W96-C98 HydrophobicContact CZ3-CB 4.33Å; W96-N105 HydrophobicContact CD2-CB 3.9Å; W96-N105 VanDerWaalsContact CE2-CB 3.4Å; W96-N105 HydrophobicContact CG-CB 4.15Å; W96-N105 HydrophobicContact CZ2-CB 3.75Å; W96-N105 PolarHBondContact N-O 2.94Å; W96-N105 WeakPolarHBondContact O-CB 3.44Å; W96-N105 PolarHBondContact O-N 3.47Å; W96-N105 PolarHBondContact O-ND2 2.85Å; W96-W106 PolarHBondContact NE1-O 3.04Å; W96-A109 HydrophobicContact CZ2-CB 4.42Å; W96-A109 WeakPolarHBondContact CZ2-O 3.33Å; W96-A109 PolarHBondContact NE1-O 2.91Å; W96-C112 HydrophobicContact CH2-CB 4.09Å; W96-R119 HydrophobicContact CD2-CB 4.34Å; W96-R119 HydrophobicContact CD2-CG 3.85Å; W96-R119 HydrophobicContact CE3-CB 4.29Å; W96-R119 HydrophobicContact CE3-CG 3.92Å; W96-R119 HydrophobicContact CG-CG 4.43Å; W96-R119 HydrophobicContact CH2-CB 3.7Å; W96-R119 HydrophobicContact CH2-CG 4.25Å; W96-R119 HydrophobicContact CZ2-CB 3.72Å; W96-R119 HydrophobicContact CZ2-CG 4.16Å; W96-R119 HydrophobicContact CZ3-CB 3.98Å; W96-R119 HydrophobicContact CZ3-CG 4.12Å
97S82.3Confident63.4Low77 Ų7794.6 Ų94.654%0.53852%0.518SS..EExtended strand (participates in β ladder)trans-68.6137.3172.245.60000110.6H99 T102 Y103S97-H99 PolarHBondContact O-N 3.46Å; S97-T102 WeakPolarHBondContact CA-O 3.47Å; S97-T102 VanDerWaalsContact CB-O 3.22Å; S97-T102 WeakPolarHBondContact CB-O 3.47Å; S97-Y103 CarbonylContact C-O 3.54Å; S97-Y103 WeakPolarHBondContact CA-O 3.43Å
98C81.3Confident65.7Low2 Ų2100.3 Ų100.31%0.01453%0.525CS..  trans-74126.2176.3-172.90000111W96 M100 C101 T102 Y103 C112W96-C98 HydrophobicContact CZ3-CB 4.33Å; C98-M100 PolarHBondContact O-N 3.35Å; C98-M100 VanDerWaalsContact O-N 3.09Å; C98-M100 PolarHBondContact SG-N 3.41Å; C98-C101 PolarHBondContact O-N 3.47Å; C98-T102 WeakPolarHBondContact O-CA 3.47Å; C98-T102 PolarHBondContact O-N 2.92Å; C98-Y103 PolarHBondContact N-O 3.17Å; C98-C112 HydrophobicContact CB-CB 4Å
99H72.8Confident68Low91 Ų9194.3 Ų94.342%0.42150%0.496SS..THydrogen-bonded Turntrans-62.6-15.817670.1-83000114.6S97 C117 Q120S97-H99 PolarHBondContact O-N 3.46Å; H99-C117 PolarHBondContact CE1-SG 3.25Å; H99-Q120 PolarHBondContact CD2-NE2 2.65Å; H99-Q120 VanDerWaalsContact CG-NE2 3.27Å; H99-Q120 PolarHBondContact NE2-NE2 2.86Å
100M67.4Low70.3Confident127 Ų12794.9 Ų94.963%0.62649%0.494SS*.THydrogen-bonded Turntrans-100.8-23.2178.5-68.4-53.9-52.700114.9C98 C117C98-M100 PolarHBondContact O-N 3.35Å; C98-M100 VanDerWaalsContact O-N 3.09Å; C98-M100 PolarHBondContact SG-N 3.41Å; M100-C117 HydrophobicContact CB-CB 4.3Å; M100-C117 HydrophobicContact CG-CB 4.06Å; M100-C117 WeakPolarHBondContact CG-SG 3.41Å
101C73.9Confident72.5Confident49 Ų4996.4 Ų96.433%0.33149%0.485SS..THydrogen-bonded Turntrans-148.417.4-174.969.90000114.7C98 Y103 C112 C115C98-C101 PolarHBondContact O-N 3.47Å; C101-Y103 PolarHBondContact O-N 2.66Å; C101-C112 VanDerWaalsContact SG-SG 3.65Å; C101-C115 HydrophobicContact CB-CB 4.36Å; C101-C115 PolarHBondContact SG-SG 2.85Å
102T70.9Confident74.7Confident115 Ų11588.4 Ų88.471%0.70645%0.448SS*.  trans54.6-17.6-179.265.50000118.2S97 C98 L104S97-T102 WeakPolarHBondContact CA-O 3.47Å; S97-T102 VanDerWaalsContact CB-O 3.22Å; S97-T102 WeakPolarHBondContact CB-O 3.47Å; C98-T102 WeakPolarHBondContact O-CA 3.47Å; C98-T102 PolarHBondContact O-N 2.92Å; T102-L104 PolarHBondContact O-N 3.04Å
103Y72.5Confident76.5Confident93 Ų9385.8 Ų85.837%0.36543%0.432SS..  trans-48.2133.6-175.9-177.3-96000113.8S97 C98 C101 N105 Q114S97-Y103 CarbonylContact C-O 3.54Å; S97-Y103 WeakPolarHBondContact CA-O 3.43Å; C98-Y103 PolarHBondContact N-O 3.17Å; C101-Y103 PolarHBondContact O-N 2.66Å; Y103-N105 WeakPolarHBondContact CD1-OD1 3.37Å; Y103-N105 PolarHBondContact O-N 3.24Å; Y103-N105 PolarHBondContact O-ND2 3.43Å; Y103-Q114 HydrophobicContact CD1-CG 3.74Å; Y103-Q114 HydrophobicContact CD2-CG 3.43Å; Y103-Q114 VanDerWaalsContact CD2-CG 3.43Å; Y103-Q114 HydrophobicContact CE1-CG 4.03Å; Y103-Q114 HydrophobicContact CE2-CG 3.75Å; Y103-Q114 HydrophobicContact CG-CB 4.33Å; Y103-Q114 HydrophobicContact CG-CG 3.42Å; Y103-Q114 VanDerWaalsContact CG-CG 3.42Å
104L86.3Confident76.9Confident109 Ų10988.1 Ų88.157%0.57144%0.435SS*.EExtended strand (participates in β ladder)trans-83.296.5-174.9-80162.5000112.2K95 T102K95-L104 HydrophobicContact CB-CD2 4.21Å; T102-L104 PolarHBondContact O-N 3.04Å
105N83.3Confident77.3Confident0 Ų086.8 Ų86.80%043%0.425CS..EExtended strand (participates in β ladder)trans-83.9152.8-178.9-55.8-78.3000112.1K95 W96 Y103 A109 C112 T113K95-N105 CarbonylContact C-O 3.57Å; K95-N105 VanDerWaalsContact CA-O 3.28Å; K95-N105 WeakPolarHBondContact CA-O 3.44Å; K95-N105 WeakPolarHBondContact CB-O 3.35Å; W96-N105 HydrophobicContact CD2-CB 3.9Å; W96-N105 VanDerWaalsContact CE2-CB 3.4Å; W96-N105 HydrophobicContact CG-CB 4.15Å; W96-N105 HydrophobicContact CZ2-CB 3.75Å; W96-N105 PolarHBondContact N-O 2.94Å; W96-N105 WeakPolarHBondContact O-CB 3.44Å; W96-N105 PolarHBondContact O-N 3.47Å; W96-N105 PolarHBondContact O-ND2 2.85Å; Y103-N105 WeakPolarHBondContact CD1-OD1 3.37Å; Y103-N105 PolarHBondContact O-N 3.24Å; Y103-N105 PolarHBondContact O-ND2 3.43Å; N105-A109 HydrophobicContact CB-CB 4.17Å; N105-C112 WeakPolarHBondContact OD1-CA 3.29Å; N105-C112 PolarHBondContact OD1-SG 2.67Å; N105-T113 PolarHBondContact OD1-N 2.94Å
106W81.1Confident77.3Confident164 Ų16487.4 Ų87.462%0.62143%0.433SS*.  trans-64.2151.1176.2-69.2104000112.9K95 W96 R108 A109K95-W106 VanDerWaalsContact CE-CZ3 3.48Å; W96-W106 PolarHBondContact NE1-O 3.04Å; W106-R108 PolarHBondContact O-N 3.42Å; W106-A109 WeakPolarHBondContact O-CB 3.43Å; W106-A109 PolarHBondContact O-N 3.26Å
107P77.3Confident77.1Confident58 Ų5887.9 Ų87.938%0.37744%0.439SS..THydrogen-bonded Turntrans-55.7-28-176.5-2024.7000114.8S94 R119S94-P107 WeakPolarHBondContact O-CA 3.4Å; S94-P107 WeakPolarHBondContact O-CB 3.4Å; S94-P107 VanDerWaalsContact O-CG 3.31Å; S94-P107 WeakPolarHBondContact O-CG 3.02Å; P107-R119 PolarHBondContact O-NH1 3.15Å
108R75.6Confident77Confident244 Ų24489.1 Ų89.192%0.92144%0.437SS*.THydrogen-bonded Turntrans-90.8-6179.5-63.1-176.1-179.4179.70.8114.3W106 I110W106-R108 PolarHBondContact O-N 3.42Å; R108-I110 PolarHBondContact O-N 2.71Å
109A79.8Confident77Confident22 Ų2291.7 Ų91.718%0.18245%0.446CS..  trans-75121.8-179.900000110.7W96 N105 W106W96-A109 HydrophobicContact CZ2-CB 4.42Å; W96-A109 WeakPolarHBondContact CZ2-O 3.33Å; W96-A109 PolarHBondContact NE1-O 2.91Å; N105-A109 HydrophobicContact CB-CB 4.17Å; W106-A109 WeakPolarHBondContact O-CB 3.43Å; W106-A109 PolarHBondContact O-N 3.26Å
110I80.9Confident76.8Confident126 Ų12692.6 Ų92.665%0.64645%0.451SS*.SBendtrans-86.2-19.9177.558171.2000113.3R108 R119R108-I110 PolarHBondContact O-N 2.71Å; I110-R119 PolarHBondContact O-N 2.93Å
111R82.8Confident76.5Confident145 Ų14591.3 Ų91.355%0.54744%0.443SS..BIsolated β-bridgetrans-130153.8174.8-73.6-179180176.9-0.2108.8L116 C117 Q118R111-L116 WeakPolarHBondContact CB-O 3.3Å; R111-L116 WeakPolarHBondContact CD-O 3.49Å; R111-L116 WeakPolarHBondContact CG-O 3.45Å; R111-C117 CarbonylContact C-O 3.6Å; R111-C117 WeakPolarHBondContact CA-O 3.41Å; R111-Q118 HydrophobicContact CG-CB 4.43Å
112C81.9Confident75.6Confident1 Ų190.4 Ų90.41%0.00744%0.439CS..  trans-70.9136.1177178.10000111.2W96 C98 C101 N105 Q114 L116 C117W96-C112 HydrophobicContact CH2-CB 4.09Å; C98-C112 HydrophobicContact CB-CB 4Å; C101-C112 VanDerWaalsContact SG-SG 3.65Å; N105-C112 WeakPolarHBondContact OD1-CA 3.29Å; N105-C112 PolarHBondContact OD1-SG 2.67Å; C112-Q114 VanDerWaalsContact C-N 3.25Å; C112-Q114 PolarHBondContact O-N 3.14Å; C112-Q114 PolarHBondContact SG-N 3.05Å; C112-L116 WeakPolarHBondContact O-CA 3.49Å; C112-L116 PolarHBondContact O-N 3.36Å; C112-C117 PolarHBondContact N-O 2.9Å
113T79.4Confident74.8Confident87 Ų8791.1 Ų91.153%0.53444%0.435SS..THydrogen-bonded Turntrans-64.7-27.9179.7-49.50000113.1N105N105-T113 PolarHBondContact OD1-N 2.94Å
114Q62.6Low73.9Confident123 Ų12392.8 Ų92.858%0.57545%0.446SS*.THydrogen-bonded Turntrans-89.4-51.5-177.9-63.6-63.6-12.700113.4Y103 C112Y103-Q114 HydrophobicContact CD1-CG 3.74Å; Y103-Q114 HydrophobicContact CD2-CG 3.43Å; Y103-Q114 VanDerWaalsContact CD2-CG 3.43Å; Y103-Q114 HydrophobicContact CE1-CG 4.03Å; Y103-Q114 HydrophobicContact CE2-CG 3.75Å; Y103-Q114 HydrophobicContact CG-CB 4.33Å; Y103-Q114 HydrophobicContact CG-CG 3.42Å; Y103-Q114 VanDerWaalsContact CG-CG 3.42Å; C112-Q114 VanDerWaalsContact C-N 3.25Å; C112-Q114 PolarHBondContact O-N 3.14Å; C112-Q114 PolarHBondContact SG-N 3.05Å
115C70.2Confident72.6Confident54 Ų5494.1 Ų94.137%0.36545%0.449SS..THydrogen-bonded Turntrans-1083.6-173.469.80000114.4C101 C117C101-C115 HydrophobicContact CB-CB 4.36Å; C101-C115 PolarHBondContact SG-SG 2.85Å; C115-C117 PolarHBondContact O-N 2.89Å; C115-C117 WeakPolarHBondContact SG-CB 3.41Å
116L79.8Confident71.4Confident123 Ų123100.3 Ų100.364%0.64448%0.478SS*.  trans57.20.1-175.9-56178.6000116.1R111 C112R111-L116 WeakPolarHBondContact CB-O 3.3Å; R111-L116 WeakPolarHBondContact CD-O 3.49Å; R111-L116 WeakPolarHBondContact CG-O 3.45Å; C112-L116 WeakPolarHBondContact O-CA 3.49Å; C112-L116 PolarHBondContact O-N 3.36Å
117C77.8Confident70.4Confident35 Ų3598.4 Ų98.424%0.23648%0.476CS..PPolyproline II helixtrans-60.6137.7178.9-171.90000111.7H99 M100 R111 C112 C115H99-C117 PolarHBondContact CE1-SG 3.25Å; M100-C117 HydrophobicContact CB-CB 4.3Å; M100-C117 HydrophobicContact CG-CB 4.06Å; M100-C117 WeakPolarHBondContact CG-SG 3.41Å; R111-C117 CarbonylContact C-O 3.6Å; R111-C117 WeakPolarHBondContact CA-O 3.41Å; C112-C117 PolarHBondContact N-O 2.9Å; C115-C117 PolarHBondContact O-N 2.89Å; C115-C117 WeakPolarHBondContact SG-CB 3.41Å
118Q79Confident69.7Low104 Ų104101.8 Ų101.849%0.48649%0.487SS..BIsolated β-bridgetrans-76.1143.5-172.9-169.7162.9-23.300112.4R111 Q120R111-Q118 HydrophobicContact CG-CB 4.43Å; Q118-Q120 PolarHBondContact O-N 3.41Å
119R82.4Confident69.2Low55 Ų5596.9 Ų96.921%0.20847%0.474CS..PPolyproline II helixtrans-68.7120176.9-174.1179.7176.2167.6-6.5110.4W96 P107 I110 Q121 A122W96-R119 HydrophobicContact CD2-CB 4.34Å; W96-R119 HydrophobicContact CD2-CG 3.85Å; W96-R119 HydrophobicContact CE3-CB 4.29Å; W96-R119 HydrophobicContact CE3-CG 3.92Å; W96-R119 HydrophobicContact CG-CG 4.43Å; W96-R119 HydrophobicContact CH2-CB 3.7Å; W96-R119 HydrophobicContact CH2-CG 4.25Å; W96-R119 HydrophobicContact CZ2-CB 3.72Å; W96-R119 HydrophobicContact CZ2-CG 4.16Å; W96-R119 HydrophobicContact CZ3-CB 3.98Å; W96-R119 HydrophobicContact CZ3-CG 4.12Å; P107-R119 PolarHBondContact O-NH1 3.15Å; I110-R119 PolarHBondContact O-N 2.93Å; R119-Q121 HydrophobicContact CG-CB 4.42Å; R119-Q121 VanDerWaalsContact CZ-OE1 3.28Å; R119-Q121 PolarHBondContact O-N 2.7Å; R119-Q121 VanDerWaalsContact O-N 3.09Å; R119-A122 WeakPolarHBondContact O-CB 3.32Å; R119-A122 PolarHBondContact O-N 2.88Å
120Q67.2Low68.6Low111 Ų111101.6 Ų101.652%0.51949%0.492SS..THydrogen-bonded Turntrans-53.6-34.3-174.9-68.2177.9-14.800114.1H99 Q118 A122 Q123H99-Q120 PolarHBondContact CD2-NE2 2.65Å; H99-Q120 VanDerWaalsContact CG-NE2 3.27Å; H99-Q120 PolarHBondContact NE2-NE2 2.86Å; Q118-Q120 PolarHBondContact O-N 3.41Å; Q120-A122 PolarHBondContact O-N 3.15Å; Q120-Q123 PolarHBondContact O-N 3.28Å
121Q62.4Low68Low99 Ų99101.6 Ų101.646%0.46349%0.49SS..Hα-helixtrans-58.9-19178-72.8176-40.200114.4R119 Q123 Q124 Q125R119-Q121 HydrophobicContact CG-CB 4.42Å; R119-Q121 VanDerWaalsContact CZ-OE1 3.28Å; R119-Q121 PolarHBondContact O-N 2.7Å; R119-Q121 VanDerWaalsContact O-N 3.09Å; Q121-Q123 VanDerWaalsContact C-N 3.29Å; Q121-Q123 PolarHBondContact O-N 2.59Å; Q121-Q124 PolarHBondContact O-N 3.07Å; Q121-Q125 PolarHBondContact O-N 3.07Å
122A54.9Low67.3Low30 Ų3099.2 Ų99.225%0.24849%0.487CS..Hα-helixtrans-63.4-32.7173.400000112.9R119 Q120 Q126R119-A122 WeakPolarHBondContact O-CB 3.32Å; R119-A122 PolarHBondContact O-N 2.88Å; Q120-A122 PolarHBondContact O-N 3.15Å; A122-Q126 PolarHBondContact O-N 2.73Å
123Q53.4Low66.7Low131 Ų131105.7 Ų105.761%0.61252%0.517SS*.Hα-helixtrans-72.1-35.7178.1-69.8175.9-38.900111.9Q120 Q121 Q126 Q127Q120-Q123 PolarHBondContact O-N 3.28Å; Q121-Q123 VanDerWaalsContact C-N 3.29Å; Q121-Q123 PolarHBondContact O-N 2.59Å; Q123-Q126 PolarHBondContact O-N 2.94Å; Q123-Q127 PolarHBondContact O-N 3.28Å; Q123-Q127 VanDerWaalsContact O-N 3.09Å
124Q54.2Low66.1Low128 Ų128107.3 Ų107.360%0.59852%0.519SS*.Hα-helixtrans-64.9-39.2176.1-71.7179.5-24.600111.9Q121 Q126 Q127 Q128Q121-Q124 PolarHBondContact O-N 3.07Å; Q124-Q126 PolarHBondContact O-N 2.76Å; Q124-Q127 PolarHBondContact O-N 2.74Å; Q124-Q128 WeakPolarHBondContact O-CB 3.46Å; Q124-Q128 PolarHBondContact O-N 2.82Å
125Q58.8Low66.3Low136 Ų136106.8 Ų106.864%0.63652%0.517SS*.Hα-helixtrans-65.5-36.6176.1-71.4-175.5-20.500112.7Q121 Q128 Q129Q121-Q125 PolarHBondContact O-N 3.07Å; Q125-Q128 PolarHBondContact O-N 2.85Å; Q125-Q129 PolarHBondContact O-N 2.81Å
126Q59Low66.3Low131 Ų131110.3 Ų110.361%0.61253%0.527SS*.Hα-helixtrans-65.7-43.6173-85-174.8-33.400112.7A122 Q123 Q124 Q128 Q129 Q130A122-Q126 PolarHBondContact O-N 2.73Å; Q123-Q126 PolarHBondContact O-N 2.94Å; Q124-Q126 PolarHBondContact O-N 2.76Å; Q126-Q128 VanDerWaalsContact C-N 3.32Å; Q126-Q128 PolarHBondContact O-N 2.97Å; Q126-Q129 PolarHBondContact O-N 3.38Å; Q126-Q130 PolarHBondContact O-N 2.81Å
127Q58.1Low65.6Low124 Ų124110.6 Ų110.658%0.57953%0.525SS*.Hα-helixtrans-62.3-39.5175.3-73.4-177.5-16.100112Q123 Q124 Q130 Q131Q123-Q127 PolarHBondContact O-N 3.28Å; Q123-Q127 VanDerWaalsContact O-N 3.09Å; Q124-Q127 PolarHBondContact O-N 2.74Å; Q127-Q130 PolarHBondContact O-N 3.12Å; Q127-Q131 WeakPolarHBondContact O-CG 3.4Å; Q127-Q131 PolarHBondContact O-N 3.39Å
128Q63Low64.9Low129 Ų129114.3 Ų114.360%0.60354%0.539SS*.Hα-helixtrans-68.3-35.5179.2-159.8167.958.300112.4Q124 Q125 Q126 L132Q124-Q128 WeakPolarHBondContact O-CB 3.46Å; Q124-Q128 PolarHBondContact O-N 2.82Å; Q125-Q128 PolarHBondContact O-N 2.85Å; Q126-Q128 VanDerWaalsContact C-N 3.32Å; Q126-Q128 PolarHBondContact O-N 2.97Å; Q128-L132 PolarHBondContact O-N 3.43Å; Q128-L132 VanDerWaalsContact O-N 3.08Å
129Q66.4Low64Low141 Ų141114.9 Ų114.966%0.65954%0.542SS*.Hα-helixtrans-65.1-40.6169.7-86.4-172.9-19.100112.8Q125 Q126 L132 Q133Q125-Q129 PolarHBondContact O-N 2.81Å; Q126-Q129 PolarHBondContact O-N 3.38Å; Q129-L132 PolarHBondContact O-N 3.43Å; Q129-Q133 PolarHBondContact O-N 3Å
130Q66.6Low63Low121 Ų121119.1 Ų119.157%0.56556%0.564SS**Hα-helixtrans-64.6-40.3176.3-73.3-179.9-13.300112.2Q126 Q127 Q133 Q134Q126-Q130 PolarHBondContact O-N 2.81Å; Q127-Q130 PolarHBondContact O-N 3.12Å; Q130-Q133 PolarHBondContact O-N 3.4Å; Q130-Q134 WeakPolarHBondContact O-CG 3.4Å; Q130-Q134 PolarHBondContact O-N 2.91Å
131Q68.4Low62.6Low126 Ų126120.4 Ų120.459%0.58957%0.57SS**Hα-helixtrans-64.3-38.8174.3-73.7-178.6-10.300112.5Q127 Q134 Q135Q127-Q131 WeakPolarHBondContact O-CG 3.4Å; Q127-Q131 PolarHBondContact O-N 3.39Å; Q131-Q134 PolarHBondContact O-N 2.91Å; Q131-Q135 PolarHBondContact O-N 3.12Å
132L66.9Low62.3Low95 Ų95122.2 Ų122.250%0.49758%0.579SS.*Hα-helixtrans-64.4-39174-81.3162.6000112.5Q128 Q129 Q135 Q136Q128-L132 PolarHBondContact O-N 3.43Å; Q128-L132 VanDerWaalsContact O-N 3.08Å; Q129-L132 PolarHBondContact O-N 3.43Å; L132-Q135 PolarHBondContact O-N 3.13Å; L132-Q136 PolarHBondContact O-N 3.43Å
133Q69.8Low62.4Low137 Ų137128.5 Ų128.564%0.6460%0.603SS**Hα-helixtrans-64.1-41.5172.8-97.8-177.5-10.900112.4Q129 Q130 Q136 Q137Q129-Q133 PolarHBondContact O-N 3Å; Q130-Q133 PolarHBondContact O-N 3.4Å; Q133-Q136 PolarHBondContact O-N 2.98Å; Q133-Q137 PolarHBondContact O-N 3.31Å; Q133-Q137 VanDerWaalsContact O-N 3.1Å
134Q67.8Low62.4Low121 Ų121130 Ų13057%0.56561%0.61SS**Hα-helixtrans-65.3-39.1175.3-71.8-178.9-1.300112.2Q130 Q131 Q137 Q138Q130-Q134 WeakPolarHBondContact O-CG 3.4Å; Q130-Q134 PolarHBondContact O-N 2.91Å; Q131-Q134 PolarHBondContact O-N 2.91Å; Q134-Q137 PolarHBondContact O-N 2.88Å; Q134-Q138 WeakPolarHBondContact O-CG 3.42Å; Q134-Q138 PolarHBondContact O-N 3.44Å
135Q67.3Low62.3Low112 Ų112132.1 Ų132.152%0.52362%0.62SS.*Hα-helixtrans-64.3-38.2173.9-81.5-169.7-5.800112.8Q131 L132 Q138 Q139Q131-Q135 PolarHBondContact O-N 3.12Å; L132-Q135 PolarHBondContact O-N 3.13Å; Q135-Q138 PolarHBondContact O-N 3.39Å; Q135-Q139 WeakPolarHBondContact O-CG 3.37Å; Q135-Q139 PolarHBondContact O-N 2.94Å
136Q69.4Low61.5Low127 Ų127128.7 Ų128.759%0.59362%0.621SS**Hα-helixtrans-65.3-38.7174.8-73.5-174.51.500112.2L132 Q133 Q139 Q140L132-Q136 PolarHBondContact O-N 3.43Å; Q133-Q136 PolarHBondContact O-N 2.98Å; Q136-Q139 PolarHBondContact O-N 3.4Å; Q136-Q140 PolarHBondContact O-N 3.31Å
137Q63.8Low60.8Low129 Ų129130.9 Ų130.960%0.60363%0.631SS**Hα-helixtrans-64.3-41.1172.6-72.6-175.3-12.900112.3Q133 Q134 Q140 Q141Q133-Q137 PolarHBondContact O-N 3.31Å; Q133-Q137 VanDerWaalsContact O-N 3.1Å; Q134-Q137 PolarHBondContact O-N 2.88Å; Q137-Q140 PolarHBondContact O-N 3.01Å; Q137-Q141 PolarHBondContact O-N 2.86Å; Q137-Q141 VanDerWaalsContact O-N 3.16Å
138Q63.1Low59.9Low113 Ų113134.1 Ų134.153%0.52865%0.645SS.*Hα-helixtrans-66.1-37.8175.4-73.2-176.3-2.100112.7Q134 Q135 Q141 Q142Q134-Q138 WeakPolarHBondContact O-CG 3.42Å; Q134-Q138 PolarHBondContact O-N 3.44Å; Q135-Q138 PolarHBondContact O-N 3.39Å; Q138-Q141 PolarHBondContact O-N 3.41Å; Q138-Q142 WeakPolarHBondContact O-CG 3.42Å; Q138-Q142 PolarHBondContact O-N 2.77Å
139Q62.1Low58.5Low117 Ų117132.6 Ų132.655%0.54766%0.655SS.*Hα-helixtrans-66.1-37.7175.1-75.5-174.41.600112.4Q135 Q136 Q141 Q142 Q143Q135-Q139 WeakPolarHBondContact O-CG 3.37Å; Q135-Q139 PolarHBondContact O-N 2.94Å; Q136-Q139 PolarHBondContact O-N 3.4Å; Q139-Q141 VanDerWaalsContact C-N 3.3Å; Q139-Q141 PolarHBondContact O-N 2.96Å; Q139-Q142 PolarHBondContact O-N 2.96Å; Q139-Q143 WeakPolarHBondContact O-CG 3.33Å; Q139-Q143 PolarHBondContact O-N 3.03Å; Q139-Q143 VanDerWaalsContact O-N 3.1Å
140Q60.1Low57Low143 Ų143132.2 Ų132.267%0.66866%0.663SS**Hα-helixtrans-64.3-33.3173.3-73.9-175.8-1.500112.6Q136 Q137Q136-Q140 PolarHBondContact O-N 3.31Å; Q137-Q140 PolarHBondContact O-N 3.01Å
141Q58.2Low55.5Low139 Ų139136.3 Ų136.365%0.6567%0.673SS**Hα-helixtrans-72.1-43172.9-69.5178.9-0.900112.1Q137 Q138 Q139 Q143 Q144Q137-Q141 PolarHBondContact O-N 2.86Å; Q137-Q141 VanDerWaalsContact O-N 3.16Å; Q138-Q141 PolarHBondContact O-N 3.41Å; Q139-Q141 VanDerWaalsContact C-N 3.3Å; Q139-Q141 PolarHBondContact O-N 2.96Å; Q141-Q143 VanDerWaalsContact C-N 3.31Å; Q141-Q143 PolarHBondContact O-N 2.88Å; Q141-Q144 PolarHBondContact O-N 3.44Å
142Q57.2Low54Low137 Ų137138.3 Ų138.364%0.6468%0.682SS**Hα-helixtrans-67.6-27.2-178.5-73.3-178.63.400113.8Q138 Q139 Q144 H145Q138-Q142 WeakPolarHBondContact O-CG 3.42Å; Q138-Q142 PolarHBondContact O-N 2.77Å; Q139-Q142 PolarHBondContact O-N 2.96Å; Q142-Q144 PolarHBondContact O-N 3.21Å; Q142-Q144 VanDerWaalsContact O-N 3.14Å; Q142-H145 PolarHBondContact O-N 2.88Å; Q142-H145 VanDerWaalsContact O-N 3.13Å
143Q56.3Low52.3Low161 Ų161137.1 Ų137.175%0.75269%0.692SS**THydrogen-bonded Turntrans-63.5-14.6173.9-75.3-177.412.200113.9Q139 Q141Q139-Q143 WeakPolarHBondContact O-CG 3.33Å; Q139-Q143 PolarHBondContact O-N 3.03Å; Q139-Q143 VanDerWaalsContact O-N 3.1Å; Q141-Q143 VanDerWaalsContact C-N 3.31Å; Q141-Q143 PolarHBondContact O-N 2.88Å
144Q53.3Low50.6Low162 Ų162138.8 Ų138.876%0.75770%0.7SS**THydrogen-bonded Turntrans-85-7174.9-60.9-168.23.900114.5Q141 Q142Q141-Q144 PolarHBondContact O-N 3.44Å; Q142-Q144 PolarHBondContact O-N 3.21Å; Q142-Q144 VanDerWaalsContact O-N 3.14Å
145H53.4Low49Very low174 Ų174140.6 Ų140.681%0.80671%0.708SS**SBendtrans-125.815.9-175.8-72.4-7.3000114.2Q142 H147Q142-H145 PolarHBondContact O-N 2.88Å; Q142-H145 VanDerWaalsContact O-N 3.13Å; H145-H147 VanDerWaalsContact C-N 3.34Å; H145-H147 PolarHBondContact O-N 3.31Å; H145-H147 VanDerWaalsContact O-N 3.12Å
146G40.9Very low47.3Very low64 Ų64140.9 Ų140.966%0.6672%0.718SS**  trans-81.635.5-173.700000117.8
147H44.9Very low45.5Very low177 Ų177144 Ų14482%0.81973%0.732SS**  trans-133.380.8179.8-84.7-7.2000113H145H145-H147 VanDerWaalsContact C-N 3.34Å; H145-H147 PolarHBondContact O-N 3.31Å; H145-H147 VanDerWaalsContact O-N 3.12Å
148H38.7Very low43.9Very low191 Ų191146.4 Ų146.488%0.88474%0.743SS**  trans-167118.7144.6-108-69.3000114.6
149A35Very low43.3Very low98 Ų98145.5 Ų145.581%0.8175%0.747SS**  trans51.7132.5147.900000123.4
150T34.7Very low41.6Very low133 Ų133151.3 Ų151.382%0.81676%0.764SS**  trans-107161.5175.2440000113.4
151R34.5Very low40.3Very low207 Ų207150 Ų15078%0.78177%0.771SS**  170137.7123.3-96.3179.5171.9-158.9-1.2116.4
152Q36.5Very low39.8Very low168 Ų168149 Ų14979%0.78578%0.776SS**  trans43.7147.3133.1-59.8165.6-29.300121.7
153G31.5Very low38.4Very low69 Ų69148.5 Ų148.571%0.71178%0.783SS**  cis155.2151.8-10.800000116
154H34.8Very low37Very low173 Ų173149.7 Ų149.780%0.80179%0.788SS**  trans84.7146.2151.8-98.5-106.6000126
155H32.5Very low36.1Very low158 Ų158147.3 Ų147.373%0.73179%0.79SS**  trans95.1161.3152.3-79.5-57.9000124.2
156T31.7Very low35.6Very low119 Ų119144.3 Ų144.373%0.7379%0.786SS**  trans-157.9168.4-143.640.50000114.3
157Q31.7Very low35Very low192 Ų192150 Ų15090%0.89780%0.795SS**  trans117.2163.5160.3-60-163.91800117.9
158Q31.2Very low34.2Very low179 Ų179147.1 Ų147.184%0.83679%0.79SS**  trans-144.5-166.8-162.5-125.2-16717.500107.2
159P49.4Very low33.9Very low94 Ų94143.7 Ų143.761%0.6179%0.788SS**  cis-139.6-171.4-2.627.3-0.8000116.3
160R27.3Very low33.6Very low240 Ų240142.8 Ų142.891%0.90679%0.788SS**  trans99.9136.6152-56.9-167.7177.1-171.8-1.4120.6
161S32.5Very low33.3Very low115 Ų115142.8 Ų142.880%0.80479%0.793SS**  trans-94.1-169.9175.6-20.40000110.9
162P47.7Very low33Very low118 Ų118136.2 Ų136.277%0.76679%0.79SS**  cis-146.4-15530.444.5-22.1000116.1
163T28.5Very low32.5Very low127 Ų127134.9 Ų134.978%0.77980%0.798SS**  trans123.5163.2153.5-36.70000115.1
164E26.9Very low32.5Very low185 Ų185143 Ų14386%0.86481%0.807SS**  trans-104.5177.5-145.4-61.9168.4102.800117.4
165S33.2Very low32.5Very low113 Ų113140.6 Ų140.679%0.7981%0.807SS**  trans-83.6174.1-179.5-41.70000113.8
166P43.1Very low32.2Very low110 Ų110138.1 Ų138.171%0.71481%0.813SS**  -156.315588.940.3-21.5000118.6
167Q29Very low32.1Very low184 Ų184136.8 Ų136.886%0.8681%0.814SS**  trans54.1154.6137.5-66.5-176.5-7.500121.8
168T27.6Very low32.1Very low116 Ų116133.6 Ų133.671%0.71281%0.81SS**  cis-146.3172.68.945.50000112.2
169S32.4Very low32.1Very low119 Ų119132 Ų13283%0.83281%0.813SS**  trans99.8124.6151.2-52.90000117.6
170G28.3Very low31.3Very low79 Ų79133.3 Ų133.381%0.81482%0.819SS**  cis-169166.8-4.100000113.6
171S29.2Very low31.7Very low134 Ų134127 Ų12794%0.93782%0.818SS**  trans-103.7170.1-176.4-53.10000112.3
172G28.3Very low31.8Very low68 Ų68127.1 Ų127.170%0.70181%0.814SS**  cis-148.7-160.35.800000112
173C25.6Very low31.2Very low141 Ų141126.9 Ų126.995%0.95381%0.806SS**  cis-147.517845.4-800000115.3
174R31Very low31.5Very low239 Ų239126.8 Ų126.890%0.90281%0.808SS**  trans-86.7179.1-172.2-73.4176.6171.1-173.8-3.6114.5
175P35.9Very low31.9Very low123 Ų123122.5 Ų122.580%0.79980%0.797SS**  cis-129.7174.4-22.126.2-5.4000114.3
176A24.8Very low32Very low105 Ų105124.1 Ų124.187%0.86879%0.792SS**  trans-124.6156.4157.400000110.6
177A30.5Very low31.4Very low91 Ų91127.8 Ų127.875%0.75280%0.8SS**  trans-112.9169.5-178.900000110.7
178P32.7Very low31.7Very low125 Ų125129.3 Ų129.381%0.81280%0.799SS**PPolyproline II helixtrans-79.1153.5-155.631.7-36000115
179V30.9Very low32.3Very low147 Ų147128.9 Ų128.989%0.89179%0.792SS**PPolyproline II helixtrans-82.6123.5172.1-177.60000109.5
180T32.1Very low32.7Very low121 Ų121128.1 Ų128.174%0.74278%0.779SS**PPolyproline II helixtrans-79.5141.3166.643.90000110.5
181A35Very low33.2Very low106 Ų106135.6 Ų135.688%0.87678%0.783SS**PPolyproline II helixtrans-68.8133.3174.400000110.9
182T35.1Very low33.6Very low119 Ų119136.8 Ų136.873%0.7378%0.778SS**PPolyproline II helixtrans-93.9149.5173.142.80000111.4
183D36.2Very low34.2Very low113 Ų113143 Ų14360%0.60478%0.781SS**PPolyproline II helixtrans-74.6138.8-179.3-168.1-61000111.3C185D183-C185 PolarHBondContact O-N 3.22Å; D183-C185 VanDerWaalsContact O-N 3.11Å; D183-C185 WeakPolarHBondContact OD1-CB 3.49Å; D183-C185 PolarHBondContact OD1-N 3.46Å
184P32.9Very low34.8Very low125 Ų125143.9 Ų143.981%0.81278%0.775SS**THydrogen-bonded Turntrans-61-12.5176.2-24.235000116.1
185C35.7Very low35.3Very low94 Ų94139.9 Ų139.964%0.63577%0.772SS**THydrogen-bonded Turntrans-74.5-22.9-171.3-159.20000114.8D183 E187D183-C185 PolarHBondContact O-N 3.22Å; D183-C185 VanDerWaalsContact O-N 3.11Å; D183-C185 WeakPolarHBondContact OD1-CB 3.49Å; D183-C185 PolarHBondContact OD1-N 3.46Å; C185-E187 PolarHBondContact O-N 3.33Å
186E35.8Very low35.3Very low147 Ų147139.6 Ų139.669%0.68777%0.768SS**G310 helixtrans-72-29.9-173.6-64.8-164.5132.300114Y188 N189E186-Y188 PolarHBondContact O-N 3Å; E186-Y188 VanDerWaalsContact O-N 3.08Å; E186-N189 PolarHBondContact O-N 2.88Å
187E30.8Very low36.1Very low188 Ų188144.4 Ų144.488%0.87977%0.772SS**G310 helixtrans-68.3-13.8-169.2-157.6175-14800114.1C185C185-E187 PolarHBondContact O-N 3.33Å
188Y35.6Very low37Very low215 Ų215143.8 Ų143.884%0.84376%0.759SS**G310 helixtrans-78.4-20.4179.4-157.9-100.5000113.9E186E186-Y188 PolarHBondContact O-N 3Å; E186-Y188 VanDerWaalsContact O-N 3.08Å
189N39.7Very low38.2Very low107 Ų107145.5 Ų145.557%0.57276%0.756SS**SBendtrans-86.2-26.2-167.2-85-64.9000115.8E186 R191E186-N189 PolarHBondContact O-N 2.88Å; N189-R191 VanDerWaalsContact C-N 3.27Å; N189-R191 PolarHBondContact O-N 3.07Å
190D40.4Very low40.6Very low103 Ų103142.1 Ų142.155%0.55173%0.73SS**G310 helixtrans-75.3-10.8-168.8-113.5-30.9000114.3N192 R193D190-N192 VanDerWaalsContact C-N 3.29Å; D190-N192 PolarHBondContact O-N 2.99Å; D190-R193 WeakPolarHBondContact O-CB 3.25Å; D190-R193 PolarHBondContact O-N 2.89Å; D190-R193 WeakPolarHBondContact OD1-CD 3.44Å; D190-R193 IonicContact OD1-CZ 3.62Å; D190-R193 IonicContact OD1-NE 2.99Å; D190-R193 IonicContact OD1-NH1 3.3Å; D190-R193 PolarHBondContact OD1-NH1 3.22Å; D190-R193 IonicContact OD2-NH1 3.37Å
191R40Very low43.1Very low237 Ų237137.4 Ų137.489%0.89470%0.699SS**G310 helixtrans-74.5-11.1-169.8-148.8172.1-172.3129.83115.4N189N189-R191 VanDerWaalsContact C-N 3.27Å; N189-R191 PolarHBondContact O-N 3.07Å
192N37.2Very low45.5Very low158 Ų158136.2 Ų136.285%0.84568%0.681SS**G310 helixtrans-94.1-0.3176.4-101.2-5.4000114.3D190 L194D190-N192 VanDerWaalsContact C-N 3.29Å; D190-N192 PolarHBondContact O-N 2.99Å; N192-L194 PolarHBondContact O-N 3.42Å
193R40.3Very low47.8Very low200 Ų200130.6 Ų130.676%0.75565%0.647SS**THydrogen-bonded Turntrans-79.317.2-164.7-155.2168.4-179176.91.9116.3D190D190-R193 WeakPolarHBondContact O-CB 3.25Å; D190-R193 PolarHBondContact O-N 2.89Å; D190-R193 WeakPolarHBondContact OD1-CD 3.44Å; D190-R193 IonicContact OD1-CZ 3.62Å; D190-R193 IonicContact OD1-NE 2.99Å; D190-R193 IonicContact OD1-NH1 3.3Å; D190-R193 PolarHBondContact OD1-NH1 3.22Å; D190-R193 IonicContact OD2-NH1 3.37Å
194L39.3Very low50Low159 Ų159130 Ų13083%0.83265%0.647SS**THydrogen-bonded Turntrans-115.511.2-167.6-91.4165.4000115.6N192N192-L194 PolarHBondContact O-N 3.42Å
195N40.1Very low52Low155 Ų155127.1 Ų127.183%0.82963%0.634SS**SBendtrans-154.269.9178.2-105-38.8000114.7
196T35.8Very low54.1Low117 Ų117124.6 Ų124.672%0.71862%0.616SS**  trans-162.989159.319.90000112
197H41.3Very low56.2Low206 Ų206123.1 Ų123.195%0.95462%0.618SS**  trans-111.562.4156.7-99.9-59.6000109.2
198T49.4Very low58.4Low77 Ų77119.2 Ų119.247%0.47260%0.596SS.*  trans-86.7127.5170.938.20000109.8
199Q58.2Low60.9Low161 Ų161114.2 Ų114.275%0.75258%0.58SS**  trans-79.6140.1175.9-67180-10.100110.8A212Q199-A212 HydrophobicContact CB-CB 4.18Å; Q199-A212 WeakPolarHBondContact O-CB 3.45Å; Q199-A212 PolarHBondContact O-N 2.81Å
200H82.6Confident62.8Low77 Ų77109.2 Ų109.236%0.35655%0.553SS.*EExtended strand (participates in β ladder)trans-120.7172.4174-55.4155.5000110.5E209 N210H200-E209 HydrophobicContact CB-CB 4.39Å; H200-E209 HydrophobicContact CB-CG 3.98Å; H200-E209 IonicContact CE1-OE2 2.89Å; H200-E209 IonicContact CG-OE2 2.81Å; H200-E209 IonicContact ND1-OE2 2.87Å; H200-E209 PolarHBondContact ND1-OE2 3.4Å; H200-N210 CarbonylContact C-O 3.19Å; H200-N210 VanDerWaalsContact CA-O 3.23Å; H200-N210 WeakPolarHBondContact CA-O 3.49Å; H200-N210 WeakPolarHBondContact CB-O 3.37Å
201W83.5Confident64.6Low21 Ų21112.4 Ų112.48%0.0856%0.558CS.*EExtended strand (participates in β ladder)trans-135.2129.8169.768.8-83.5000111.1C203 N210 W211 A214 C217 R224W201-C203 HydrophobicContact CZ3-CB 4.46Å; W201-N210 VanDerWaalsContact CD1-O 3.28Å; W201-N210 HydrophobicContact CD2-CB 4.07Å; W201-N210 HydrophobicContact CG-CB 4.34Å; W201-N210 HydrophobicContact CZ2-CB 3.83Å; W201-N210 PolarHBondContact N-O 3.29Å; W201-N210 PolarHBondContact O-N 2.89Å; W201-N210 PolarHBondContact O-ND2 3.46Å; W201-W211 PolarHBondContact NE1-O 3.05Å; W201-A214 PolarHBondContact NE1-O 2.68Å; W201-C217 HydrophobicContact CH2-CB 4.18Å; W201-R224 HydrophobicContact CD2-CB 4.37Å; W201-R224 HydrophobicContact CD2-CG 3.71Å; W201-R224 HydrophobicContact CE3-CB 4.41Å; W201-R224 HydrophobicContact CE3-CG 3.9Å; W201-R224 HydrophobicContact CG-CG 4.29Å; W201-R224 HydrophobicContact CH2-CB 3.73Å; W201-R224 HydrophobicContact CH2-CG 4.12Å; W201-R224 HydrophobicContact CZ2-CB 3.65Å; W201-R224 HydrophobicContact CZ2-CG 3.93Å; W201-R224 HydrophobicContact CZ3-CB 4.11Å; W201-R224 HydrophobicContact CZ3-CG 4.09Å
202T85.1Confident66.4Low82 Ų82102.9 Ų102.950%0.50353%0.53SS..EExtended strand (participates in β ladder)trans-75.6131.8-179.6-38.10000110.9T204 T207T202-T204 PolarHBondContact O-N 2.99Å; T202-T207 WeakPolarHBondContact CG2-O 3.42Å
203C84.1Confident68.2Low1 Ų1104.8 Ų104.81%0.00753%0.531CS..  trans-70.2126.2176.4-179.40000111.3W201 A205 C206 T207 Y208 C217 C220W201-C203 HydrophobicContact CZ3-CB 4.46Å; C203-A205 PolarHBondContact O-N 2.9Å; C203-A205 PolarHBondContact SG-N 3.4Å; C203-A205 VanDerWaalsContact SG-N 3.41Å; C203-C206 VanDerWaalsContact SG-SG 3.6Å; C203-T207 WeakPolarHBondContact O-CA 3.47Å; C203-T207 PolarHBondContact O-N 2.98Å; C203-Y208 WeakPolarHBondContact CB-O 3.48Å; C203-Y208 PolarHBondContact N-O 3.35Å; C203-C217 HydrophobicContact CB-CB 3.98Å; C203-C220 VanDerWaalsContact SG-SG 3.66Å
204T82.9Confident70Confident101 Ų10196.7 Ų96.762%0.6251%0.506SS*.THydrogen-bonded Turntrans-69.3-13.8178.345.70000114.5T202 P225T202-T204 PolarHBondContact O-N 2.99Å; T204-P225 HydrophobicContact CG2-CG 3.96Å
205A75.3Confident72.1Confident63 Ų6396.1 Ų96.152%0.52150%0.504SS..THydrogen-bonded Turntrans-102.5-33.9-178.800000114.3C203 H222C203-A205 PolarHBondContact O-N 2.9Å; C203-A205 PolarHBondContact SG-N 3.4Å; C203-A205 VanDerWaalsContact SG-N 3.41Å; A205-H222 HydrophobicContact CB-CB 3.97Å
206C79.6Confident74.2Confident41 Ų4193.9 Ų93.928%0.27749%0.486SS..THydrogen-bonded Turntrans-128.86.7-177.372.20000114.6C203 Y208 C220C203-C206 VanDerWaalsContact SG-SG 3.6Å; C206-Y208 PolarHBondContact O-N 3.22Å; C206-Y208 VanDerWaalsContact SG-CB 3.57Å; C206-C220 HydrophobicContact CB-CB 4.38Å; C206-C220 PolarHBondContact SG-SG 3.36Å
207T79.2Confident76.5Confident116 Ų11688.3 Ų88.371%0.71245%0.452SS*.  trans60.5-1.7-178.363.80000117.3T202 C203T202-T207 WeakPolarHBondContact CG2-O 3.42Å; C203-T207 WeakPolarHBondContact O-CA 3.47Å; C203-T207 PolarHBondContact O-N 2.98Å
208Y77Confident78.4Confident107 Ų10783.4 Ų83.442%0.4244%0.436SS..  trans-62.9139.6177.7-173.7-93.4000112.7C203 C206 N210 V218 V219C203-Y208 WeakPolarHBondContact CB-O 3.48Å; C203-Y208 PolarHBondContact N-O 3.35Å; C206-Y208 PolarHBondContact O-N 3.22Å; C206-Y208 VanDerWaalsContact SG-CB 3.57Å; Y208-N210 WeakPolarHBondContact CD1-OD1 3.5Å; Y208-N210 PolarHBondContact O-ND2 3.25Å; Y208-V218 HydrophobicContact CD1-CG1 4Å; Y208-V218 HydrophobicContact CE1-CG1 3.32Å; Y208-V219 HydrophobicContact CD1-CG2 3.83Å; Y208-V219 HydrophobicContact CD2-CB 4.42Å; Y208-V219 HydrophobicContact CD2-CG2 3.47Å; Y208-V219 VanDerWaalsContact CD2-CG2 3.47Å; Y208-V219 HydrophobicContact CE1-CG2 3.98Å; Y208-V219 HydrophobicContact CE2-CG2 3.61Å; Y208-V219 HydrophobicContact CG-CB 4.19Å; Y208-V219 HydrophobicContact CG-CG2 3.56Å
209E87.3Confident79.2Confident110 Ų11084 Ų8451%0.51444%0.44SS..EExtended strand (participates in β ladder)trans-83.3123.5176.4-111.1-165.9-172.900112.1H200H200-E209 HydrophobicContact CB-CB 4.39Å; H200-E209 HydrophobicContact CB-CG 3.98Å; H200-E209 IonicContact CE1-OE2 2.89Å; H200-E209 IonicContact CG-OE2 2.81Å; H200-E209 IonicContact ND1-OE2 2.87Å; H200-E209 PolarHBondContact ND1-OE2 3.4Å
210N81Confident79.8Confident1 Ų179 Ų791%0.00542%0.422CS..EExtended strand (participates in β ladder)trans-113.5145-176.7-58.3-89.1000111.1H200 W201 Y208 A214 C217 V218H200-N210 CarbonylContact C-O 3.19Å; H200-N210 VanDerWaalsContact CA-O 3.23Å; H200-N210 WeakPolarHBondContact CA-O 3.49Å; H200-N210 WeakPolarHBondContact CB-O 3.37Å; W201-N210 VanDerWaalsContact CD1-O 3.28Å; W201-N210 HydrophobicContact CD2-CB 4.07Å; W201-N210 HydrophobicContact CG-CB 4.34Å; W201-N210 HydrophobicContact CZ2-CB 3.83Å; W201-N210 PolarHBondContact N-O 3.29Å; W201-N210 PolarHBondContact O-N 2.89Å; W201-N210 PolarHBondContact O-ND2 3.46Å; Y208-N210 WeakPolarHBondContact CD1-OD1 3.5Å; Y208-N210 PolarHBondContact O-ND2 3.25Å; N210-A214 HydrophobicContact CB-CB 4.38Å; N210-C217 PolarHBondContact ND2-SG 3.42Å; N210-C217 WeakPolarHBondContact OD1-CA 3.46Å; N210-C217 PolarHBondContact OD1-SG 3.13Å; N210-V218 PolarHBondContact OD1-N 3.17Å
211W77.6Confident79.8Confident170 Ų17079.9 Ų79.964%0.64443%0.429SS*.EExtended strand (participates in β ladder)trans-52.3138.7174.6-6191.4000112.6W201 K213 A214W201-W211 PolarHBondContact NE1-O 3.05Å; W211-K213 PolarHBondContact O-N 3.34Å; W211-A214 WeakPolarHBondContact O-CB 3.23Å; W211-A214 PolarHBondContact O-N 3.33Å
212A77.4Confident79.4Confident38 Ų3882.5 Ų82.531%0.31444%0.443SS..THydrogen-bonded Turntrans-60.8-5-178.800000116.3Q199 R224Q199-A212 HydrophobicContact CB-CB 4.18Å; Q199-A212 WeakPolarHBondContact O-CB 3.45Å; Q199-A212 PolarHBondContact O-N 2.81Å; A212-R224 PolarHBondContact O-NH1 3.49Å
213K75.9Confident79.3Confident197 Ų19782.6 Ų82.686%0.85744%0.444SS*.THydrogen-bonded Turntrans-100.2-9.9170.8-65.8-174.8179.4-179.70114.2W211W211-K213 PolarHBondContact O-N 3.34Å
214A78Confident79.1Confident30 Ų3086.7 Ų86.725%0.24846%0.46CS..  trans-72.4131.9178.800000111W201 N210 W211 R224W201-A214 PolarHBondContact NE1-O 2.68Å; N210-A214 HydrophobicContact CB-CB 4.38Å; W211-A214 WeakPolarHBondContact O-CB 3.23Å; W211-A214 PolarHBondContact O-N 3.33Å; A214-R224 WeakPolarHBondContact O-CD 3.5Å
215L82.2Confident78.6Confident148 Ų14885.3 Ų85.378%0.77545%0.452SS*.SBendtrans-91.1-17.8178.7-60.7176.9000113.1R224L215-R224 WeakPolarHBondContact O-CB 3.09Å; L215-R224 PolarHBondContact O-N 3Å
216K85.3Confident78.2Confident107 Ų10789.3 Ų89.347%0.46547%0.465SS..BIsolated β-bridgetrans-138.2159.6174.260.1171.1-176.1152.60109.7D221 H222K216-D221 HydrophobicContact CD-CB 4.3Å; K216-D221 WeakPolarHBondContact CD-OD1 3.27Å; K216-D221 VanDerWaalsContact CE-OD1 3.31Å; K216-D221 WeakPolarHBondContact CE-OD1 3.46Å; K216-D221 IonicContact NZ-OD1 3.72Å; K216-D221 PolarHBondContact NZ-OD1 3.15Å; K216-D221 IonicContact NZ-OD2 2.87Å; K216-D221 PolarHBondContact NZ-OD2 2.7Å; K216-H222 CarbonylContact C-O 3.59Å; K216-H222 WeakPolarHBondContact CA-O 3.36Å
217C84.1Confident76.6Confident0 Ų092.7 Ų92.70%049%0.489CS..  trans-74.7132.4178.9177.60000111.3W201 C203 N210 V219 D221 H222W201-C217 HydrophobicContact CH2-CB 4.18Å; C203-C217 HydrophobicContact CB-CB 3.98Å; N210-C217 PolarHBondContact ND2-SG 3.42Å; N210-C217 WeakPolarHBondContact OD1-CA 3.46Å; N210-C217 PolarHBondContact OD1-SG 3.13Å; C217-V219 VanDerWaalsContact C-N 3.3Å; C217-V219 PolarHBondContact O-N 3.26Å; C217-D221 WeakPolarHBondContact O-CA 3.43Å; C217-D221 PolarHBondContact O-N 3.33Å; C217-H222 HydrophobicContact CB-CB 4.47Å; C217-H222 PolarHBondContact N-O 2.77Å
218V80.9Confident75Confident103 Ų10395.3 Ų95.362%0.62450%0.498SS*.THydrogen-bonded Turntrans-69.7-24.1-176.5690000113.9Y208 N210Y208-V218 HydrophobicContact CD1-CG1 4Å; Y208-V218 HydrophobicContact CE1-CG1 3.32Å; N210-V218 PolarHBondContact OD1-N 3.17Å
219V66.4Low73.6Confident91 Ų9198.5 Ų98.555%0.55252%0.521SS*.THydrogen-bonded Turntrans-89.2-23.1-177.9172.20000113.7Y208 C217Y208-V219 HydrophobicContact CD1-CG2 3.83Å; Y208-V219 HydrophobicContact CD2-CB 4.42Å; Y208-V219 HydrophobicContact CD2-CG2 3.47Å; Y208-V219 VanDerWaalsContact CD2-CG2 3.47Å; Y208-V219 HydrophobicContact CE1-CG2 3.98Å; Y208-V219 HydrophobicContact CE2-CG2 3.61Å; Y208-V219 HydrophobicContact CG-CB 4.19Å; Y208-V219 HydrophobicContact CG-CG2 3.56Å; C217-V219 VanDerWaalsContact C-N 3.3Å; C217-V219 PolarHBondContact O-N 3.26Å
220C71.4Confident71.1Confident56 Ų5697.4 Ų97.438%0.37853%0.531SS..THydrogen-bonded Turntrans-14610.5-172.866.90000115.1C203 C206 H222C203-C220 VanDerWaalsContact SG-SG 3.66Å; C206-C220 HydrophobicContact CB-CB 4.38Å; C206-C220 PolarHBondContact SG-SG 3.36Å; C220-H222 PolarHBondContact O-N 2.7Å
221D81.4Confident68.9Low94 Ų94105.7 Ų105.750%0.50357%0.57SS.*  trans56.86-179.1-9718.9000116.9K216 C217K216-D221 HydrophobicContact CD-CB 4.3Å; K216-D221 WeakPolarHBondContact CD-OD1 3.27Å; K216-D221 VanDerWaalsContact CE-OD1 3.31Å; K216-D221 WeakPolarHBondContact CE-OD1 3.46Å; K216-D221 IonicContact NZ-OD1 3.72Å; K216-D221 PolarHBondContact NZ-OD1 3.15Å; K216-D221 IonicContact NZ-OD2 2.87Å; K216-D221 PolarHBondContact NZ-OD2 2.7Å; C217-D221 WeakPolarHBondContact O-CA 3.43Å; C217-D221 PolarHBondContact O-N 3.33Å
222H75.4Confident67.2Low77 Ų77101.8 Ų101.836%0.35657%0.566SS.*PPolyproline II helixtrans-64.6130.4-178.8-159.183.7000111.7A205 K216 C217 C220A205-H222 HydrophobicContact CB-CB 3.97Å; K216-H222 CarbonylContact C-O 3.59Å; K216-H222 WeakPolarHBondContact CA-O 3.36Å; C217-H222 HydrophobicContact CB-CB 4.47Å; C217-H222 PolarHBondContact N-O 2.77Å; C220-H222 PolarHBondContact O-N 2.7Å
223P82.1Confident65Low83 Ų83107 Ų10754%0.53959%0.587SS.*BIsolated β-bridgetrans-68.5151.8-173.528-35.7000112.7
224R81.4Confident62.7Low88 Ų88106.1 Ų106.133%0.33259%0.586SS.*PPolyproline II helixtrans-71132.4178.4-174.4175-176.7-177.81.6112.1W201 A212 A214 L215 N226W201-R224 HydrophobicContact CD2-CB 4.37Å; W201-R224 HydrophobicContact CD2-CG 3.71Å; W201-R224 HydrophobicContact CE3-CB 4.41Å; W201-R224 HydrophobicContact CE3-CG 3.9Å; W201-R224 HydrophobicContact CG-CG 4.29Å; W201-R224 HydrophobicContact CH2-CB 3.73Å; W201-R224 HydrophobicContact CH2-CG 4.12Å; W201-R224 HydrophobicContact CZ2-CB 3.65Å; W201-R224 HydrophobicContact CZ2-CG 3.93Å; W201-R224 HydrophobicContact CZ3-CB 4.11Å; W201-R224 HydrophobicContact CZ3-CG 4.09Å; A212-R224 PolarHBondContact O-NH1 3.49Å; A214-R224 WeakPolarHBondContact O-CD 3.5Å; L215-R224 WeakPolarHBondContact O-CB 3.09Å; L215-R224 PolarHBondContact O-N 3Å; R224-N226 PolarHBondContact O-N 3.48Å
225P71.6Confident60.3Low71 Ų71111.8 Ų111.846%0.46161%0.612SS.*PPolyproline II helixtrans-65.6123.7172.1-22.133.8000113T204 S227T204-P225 HydrophobicContact CG2-CG 3.96Å; P225-S227 PolarHBondContact O-N 2.98Å
226N66.3Low57.7Low147 Ų147109.1 Ų109.179%0.78661%0.611SS**  trans-8888.8177.6-92.9-12.9000112.1R224R224-N226 PolarHBondContact O-N 3.48Å
227S47.5Very low55Low112 Ų112109.8 Ų109.878%0.78363%0.629SS**  trans-151.536.9171.8-74.60000115.3P225P225-S227 PolarHBondContact O-N 2.98Å
228L45.3Very low52.2Low172 Ų172117.7 Ų117.790%0.90167%0.666SS**  trans-145.760.7168.8-76-177.4000112.2
229L47.4Very low50.4Low173 Ų173117.7 Ų117.791%0.90667%0.668SS**  trans-130.668.3172.1-74.4177.6000111.5
230A35.2Very low48.6Very low87 Ų87121.6 Ų121.672%0.71968%0.68SS**  trans-161.6139.8166.700000105
231E33.6Very low46.4Very low175 Ų175124.2 Ų124.282%0.81870%0.699SS**  cis-157177.847.4-94.5-76.688.600109.4
232P41.7Very low43.8Very low88 Ų88129 Ų12957%0.57172%0.718SS**  trans-137.4178.9-136.645.1-28.7000119.4
233I31.3Very low41.5Very low147 Ų147134 Ų13475%0.75474%0.742SS**  trans63.7125.1149.8-69.1153.7000121.3
234E28.1Very low39.7Very low180 Ų180135.2 Ų135.284%0.84175%0.75SS**  177149.1122.5-94.5-160.7178.700109.4
235L28.7Very low37Very low149 Ų149136.7 Ų136.778%0.7877%0.774SS**  cis-166.4126.9-22.3-169.591.4000109.6
236A26.7Very low34.9Very low92 Ų92138.8 Ų138.876%0.7679%0.79SS**  trans-167.2104.8165.500000116.1
237S28.6Very low33Very low120 Ų120142 Ų14284%0.83980%0.797SS**  trans39.7112.6148.257.40000123.6
238E25.2Very low32Very low166 Ų166144.8 Ų144.878%0.77680%0.802SS**  trans-68.1179.7150-78.4-71.8145.400112.6
239P42.4Very low31.2Very low104 Ų104143 Ų14368%0.67579%0.793SS**  cis-137.7163.113.325.50.4000120.9
240E28.6Very low30.3Very low172 Ų172142.6 Ų142.680%0.80479%0.787SS**  trans58126.8141.2-69.4-175.9117.700123.5
241S25.9Very low30.1Very low112 Ų112145.9 Ų145.978%0.78379%0.787SS**  -164.1118112.744.70000115.6
242Q26.8Very low29.8Very low193 Ų193143.4 Ų143.490%0.90278%0.78SS**  trans58.3104.9142.7-59.1-178.26.400122
243Q27.1Very low29.4Very low184 Ų184149 Ų14986%0.8679%0.79SS**  trans-80.9-177.8142.8-104.9-164.939.200110.2
244P43.4Very low29.5Very low108 Ų108147.8 Ų147.870%0.70179%0.785SS**  cis-141.9175.417.444.2-26.5000117.5
245S25.3Very low29.5Very low119 Ų119146.8 Ų146.883%0.83279%0.785SS**  -170.7145.7116.451.10000112.5
246S28.6Very low29.6Very low114 Ų114149.9 Ų149.980%0.79779%0.786SS**  trans-141.5153.6175.261.30000109.7
247K25.8Very low29.9Very low216 Ų216157.6 Ų157.694%0.93980%0.796SS**  trans-153165.9156.9-78.3-147.3174.9-175.50110.9
248L27.2Very low29.9Very low170 Ų170155.2 Ų155.289%0.8979%0.79SS**  trans-139144.4-163.9-94168.1000112.6
249N26.9Very low30.1Very low133 Ų133154.1 Ų154.171%0.71179%0.794SS**  trans74.4171.5139.5-158.537.7000121
250E30.2Very low29.5Very low166 Ų166155.4 Ų155.478%0.77680%0.8SS**  trans86.4150171.5-60.4-169.1148.900118
251Q30Very low29.5Very low155 Ų155150.3 Ų150.372%0.72479%0.793SS**  cis179.9139.4-43.3-119.5-171.619.600109.4
252D28.3Very low29.8Very low123 Ų123154.5 Ų154.566%0.65880%0.801SS**  trans172.3130.9142.2-108.4-23.1000108.7
253R32.8Very low29.9Very low206 Ų206148.2 Ų148.278%0.77779%0.787SS**  72.3146.183.8-86.7-159.4-179.6107.1-7.6116.4
254D33.8Very low30.1Very low122 Ų122146.9 Ų146.965%0.65279%0.792SS**  cis-167142.9-15.6-145.8-32.9000108.9
255N28.3Very low29.3Very low158 Ų158145.3 Ų145.385%0.84580%0.795SS**  trans-174.9167.7138.8-132.8-35.9000114.3
256R30.7Very low29.4Very low215 Ų215145.6 Ų145.681%0.81180%0.796SS**  trans-145.1166.4-170-86.2176.1149.4-173.4-4.9115.4
257R32Very low29.4Very low254 Ų254146.3 Ų146.396%0.95880%0.795SS**  trans79.7147.2170.8-51.4177.1175.8-171.9-1.8114.2
258G28.3Very low29.6Very low69 Ų69142.6 Ų142.671%0.71179%0.79SS**  cis158.4145.8-1.400000108.1
259V28.7Very low29.6Very low143 Ų143138.4 Ų138.487%0.86779%0.788SS**  -178.9159.564.7155.50000110.5
260V31.3Very low29.5Very low131 Ų131135.4 Ų135.479%0.79479%0.789SS**  trans-23.2152.2161.6-171.30000117.6
261G28.6Very low29.4Very low65 Ų65134.3 Ų134.367%0.6779%0.793SS**  cis144.2-178.1-200000114.3
262Q32Very low29.3Very low201 Ų201133.9 Ų133.994%0.93980%0.801SS**  trans66.4154.7175.4-59.3-179.6-9.400117.8
263G28Very low29.3Very low60 Ų60131.4 Ų131.462%0.61981%0.805SS**  cis165.1149.7-12.500000114.9
264T31.3Very low28.9Very low157 Ų157127.7 Ų127.796%0.96381%0.809SS**  trans57.1145.8159.250.80000121.6
265G27.1Very low28.6Very low74 Ų74127.1 Ų127.176%0.76381%0.814SS**  trans-138.6-174179.900000116
266C26.9Very low28.5Very low126 Ų126124.7 Ų124.785%0.85181%0.81SS**  trans-155.8134.7172-109.70000109
267V28.9Very low28.4Very low129 Ų129120.6 Ų120.678%0.78281%0.814SS**  65.7130.767.4-140.70000117.7
268V30.2Very low28.2Very low137 Ų137116.7 Ų116.783%0.8381%0.807SS**  trans91.393.7161.1-163.60000121.1
269G27.2Very low28.1Very low82 Ų82123.7 Ų123.785%0.84581%0.812SS**  65.8136.1114.900000125
270G25.9Very low28.1Very low71 Ų71128.2 Ų128.273%0.73281%0.813SS**  trans138.489.4134.500000123.2
271V27.5Very low27.7Very low143 Ų143127.6 Ų127.687%0.86782%0.815SS**  trans61.4142.9136.5-131.50000124.6
272V27.9Very low27.8Very low145 Ų145130 Ų13088%0.87982%0.818SS**  trans77.6128.9158.6-1660000120.4
273G27.6Very low27.6Very low72 Ų72126.3 Ų126.374%0.74281%0.812SS**  trans147118.1153.200000115.5
274C24.6Very low27.6Very low128 Ų128128.6 Ų128.687%0.86582%0.819SS**  trans-109.7156.1-179-68.10000114.3
275S26.7Very low27.4Very low110 Ų110130.4 Ų130.477%0.76982%0.816SS**  trans113.9118.5143-58.60000119.8
276S27.8Very low27.5Very low107 Ų107134.7 Ų134.775%0.74881%0.814SS**  trans52.3102.6143.161.10000120.6
277S27.6Very low27.6Very low129 Ų129140.4 Ų140.490%0.90282%0.817SS**  -167.2152.3123.8-87.80000112.9
278Q28.9Very low27.4Very low172 Ų172140.6 Ų140.680%0.80481%0.81SS**  trans-83.5127.9176.4-62.7176-9.700111
279R25.2Very low27.4Very low216 Ų216139.3 Ų139.382%0.81581%0.807SS**  161.7134.9118.6-88.7170.2-175.4-151.9-0.3113.6
280R28.3Very low27.3Very low237 Ų237143.8 Ų143.889%0.89481%0.806SS**  trans60.8110.6152-64.9-177.2175.2-158.7-4.1119
281S24.2Very low27.5Very low118 Ų118146.1 Ų146.183%0.82581%0.806SS**  trans-134.2159.3144.7-78.60000107.8
282P29.2Very low27.4Very low116 Ų116146 Ų14675%0.75380%0.8SS**PPolyproline II helixtrans-77.2157-162.630.8-36.5000113.9
283P29Very low27.8Very low124 Ų124144.7 Ų144.781%0.80579%0.786SS**PPolyproline II helixtrans-69.5131.6170.930.2-33.3000110.6
284S27.7Very low28Very low108 Ų108146.5 Ų146.576%0.75578%0.778SS**PPolyproline II helixtrans-72.3128.6161.952.60000109.2K286S284-K286 PolarHBondContact O-N 2.85Å; S284-K286 VanDerWaalsContact O-N 3.07Å
285E27.7Very low28.9Very low195 Ų195148.7 Ų148.791%0.91177%0.773SS**  trans-61.3112179.6-66.5176.5159.300110.9R287E285-R287 PolarHBondContact O-N 3.4Å
286K28.3Very low29.3Very low164 Ų164150 Ų15071%0.71377%0.768SS**  trans-66.5128.7156.8-75.7-173.5177.9-177.40107.4S284 E288S284-K286 PolarHBondContact O-N 2.85Å; S284-K286 VanDerWaalsContact O-N 3.07Å; K286-E288 HydrophobicContact CB-CG 4.24Å; K286-E288 HydrophobicContact CD-CG 4.38Å; K286-E288 WeakPolarHBondContact CD-OE1 3.1Å; K286-E288 IonicContact NZ-OE1 2.75Å; K286-E288 PolarHBondContact NZ-OE1 3.38Å; K286-E288 PolarHBondContact O-N 3.06Å
287R29.6Very low29.9Very low245 Ų245153.9 Ų153.993%0.92577%0.766SS**  trans-81.559.7173.8-157177.2-167.5-177.13110.8E285 S289E285-R287 PolarHBondContact O-N 3.4Å; R287-S289 PolarHBondContact O-N 3.25Å
288E25.4Very low30.8Very low133 Ų133150.8 Ų150.862%0.62174%0.739SS**  trans-66.5113.4167.2-75.8169.4-167.100107K286 E290K286-E288 HydrophobicContact CB-CG 4.24Å; K286-E288 HydrophobicContact CD-CG 4.38Å; K286-E288 WeakPolarHBondContact CD-OE1 3.1Å; K286-E288 IonicContact NZ-OE1 2.75Å; K286-E288 PolarHBondContact NZ-OE1 3.38Å; K286-E288 PolarHBondContact O-N 3.06Å; E288-E290 PolarHBondContact O-N 3.38Å
289S28.4Very low31.1Very low110 Ų110148.8 Ų148.877%0.76973%0.729SS**  trans-80.270.8-177.357.40000110.4R287 V291R287-S289 PolarHBondContact O-N 3.25Å; S289-V291 PolarHBondContact O-N 2.87Å; S289-V291 VanDerWaalsContact O-N 3.15Å
290E25.8Very low31.8Very low177 Ų177146.7 Ų146.783%0.82773%0.733SS**  trans-56.6117.4161.3-71.9-165.912500108.4E288 N292E288-E290 PolarHBondContact O-N 3.38Å; E290-N292 PolarHBondContact O-N 3.04Å
291V30.5Very low32.3Very low120 Ų120137.9 Ų137.973%0.72771%0.711SS**  trans-72.388.9168.5-177.50000106.7S289 M293S289-V291 PolarHBondContact O-N 2.87Å; S289-V291 VanDerWaalsContact O-N 3.15Å; V291-M293 VanDerWaalsContact C-N 3.26Å; V291-M293 HydrophobicContact CG1-CG 4.32Å; V291-M293 HydrophobicContact CG1-SD 3.81Å; V291-M293 PolarHBondContact O-N 3.38Å
292N25.4Very low33.1Very low140 Ų140137.8 Ų137.875%0.74971%0.711SS**  trans-6886.2174.9-173.927.3000109E290 D294E290-N292 PolarHBondContact O-N 3.04Å; N292-D294 PolarHBondContact O-N 3.31Å
293M35.4Very low33.7Very low117 Ų117135.8 Ų135.858%0.57671%0.711SS**  trans-61.2127.5-178.8-64-74.7-8800109.9V291 F295V291-M293 VanDerWaalsContact C-N 3.26Å; V291-M293 HydrophobicContact CG1-CG 4.32Å; V291-M293 HydrophobicContact CG1-SD 3.81Å; V291-M293 PolarHBondContact O-N 3.38Å; M293-F295 VanDerWaalsContact C-N 3.3Å; M293-F295 HydrophobicContact CB-CD2 4.44Å; M293-F295 HydrophobicContact CB-CE2 4.05Å; M293-F295 HydrophobicContact CB-CZ 4.35Å; M293-F295 WeakPolarHBondContact O-CD2 3.34Å; M293-F295 PolarHBondContact O-N 2.86Å
294D32.6Very low34.3Very low110 Ų110135.1 Ų135.159%0.58872%0.716SS**  trans-67.879.7-179.6-77.5-41.5000112.4N292 Q296 R297N292-D294 PolarHBondContact O-N 3.31Å; D294-Q296 PolarHBondContact O-N 2.88Å; D294-R297 IonicContact OD2-NH2 2.69Å
295F42.3Very low34.9Very low174 Ų174133.1 Ų133.176%0.76371%0.712SS**G310 helixtrans-61.9-4176.7-72.4-76.9000114.4M293M293-F295 VanDerWaalsContact C-N 3.3Å; M293-F295 HydrophobicContact CB-CD2 4.44Å; M293-F295 HydrophobicContact CB-CE2 4.05Å; M293-F295 HydrophobicContact CB-CZ 4.35Å; M293-F295 WeakPolarHBondContact O-CD2 3.34Å; M293-F295 PolarHBondContact O-N 2.86Å
296Q35.9Very low35.8Very low138 Ų138132.8 Ų132.865%0.64572%0.715SS**G310 helixtrans-82.4-12.8-176.4-101.2-178.6-32.800115.8D294 I298 E299D294-Q296 PolarHBondContact O-N 2.88Å; Q296-I298 PolarHBondContact O-N 3.16Å; Q296-E299 PolarHBondContact O-N 3.02Å; Q296-E299 VanDerWaalsContact O-N 3.15Å
297R41.5Very low36.8Very low189 Ų189126.8 Ų126.871%0.71370%0.7SS**G310 helixtrans-64.5-14.9-176.4-65.6-172.2-170.91697.6114.7D294D294-R297 IonicContact OD2-NH2 2.69Å
298I44.8Very low37.9Very low64 Ų64117.8 Ų117.833%0.32867%0.674SS.*G310 helixtrans-87.6-3.3-179.6-55-180000112.1Q296 W331 L369Q296-I298 PolarHBondContact O-N 3.16Å; I298-W331 HydrophobicContact CD1-CE3 4.26Å; I298-W331 HydrophobicContact CD1-CZ3 3.71Å; I298-L369 HydrophobicContact CG2-CD2 4.5Å
299E36.3Very low39.2Very low130 Ų130119.9 Ų119.961%0.60768%0.681SS**G310 helixtrans-86.3-8.2-177.8-58.3-159.9119.100114.8Q296 A301Q296-E299 PolarHBondContact O-N 3.02Å; Q296-E299 VanDerWaalsContact O-N 3.15Å; E299-A301 PolarHBondContact O-N 2.95Å
300L40.1Very low40.2Very low171 Ų171122.1 Ų122.190%0.89568%0.68SS**THydrogen-bonded Turntrans-102.152.9-171.4-72.6169.5000114.7
301A39.1Very low41.5Very low52 Ų52119.7 Ų119.743%0.4367%0.668SS.*THydrogen-bonded Turntrans-136.2-12.1172.400000115.5E299 G303E299-A301 PolarHBondContact O-N 2.95Å; A301-G303 VanDerWaalsContact C-N 3.27Å; A301-G303 PolarHBondContact O-N 3.38Å
302S39.6Very low42.8Very low117 Ų117119.1 Ų119.182%0.81866%0.66SS**  trans-81.862.2-173.4-570000113
303G43.2Very low44.3Very low74 Ų74117.3 Ų117.376%0.76365%0.648SS**  trans-127-1.8-162.100000118.8A301A301-G303 VanDerWaalsContact C-N 3.27Å; A301-G303 PolarHBondContact O-N 3.38Å
304A41.6Very low45.3Very low110 Ų110115.3 Ų115.391%0.90964%0.642SS**  trans-158.290.1177.400000113.2
305G40.1Very low47.2Very low66 Ų66113.4 Ų113.468%0.6863%0.632SS**  trans-156.2120.9175.100000112.6G307G305-G307 VanDerWaalsContact C-N 3.28Å; G305-G307 PolarHBondContact O-N 2.9Å; G305-G307 VanDerWaalsContact O-N 3.14Å
306I45.7Very low48.8Very low187 Ų187112.4 Ų112.496%0.95963%0.627SS**  trans-87.572.2174.4-53.3175.8000108
307G49.3Very low50.9Low39 Ų39110.7 Ų110.740%0.40262%0.618SS.*  trans-104.6157.4172.800000111.5G305G305-G307 VanDerWaalsContact C-N 3.28Å; G305-G307 PolarHBondContact O-N 2.9Å; G305-G307 VanDerWaalsContact O-N 3.14Å
308S52.2Low52.7Low55 Ų55106.6 Ų106.639%0.38561%0.605SS.*  trans-68.2156.1172.172.10000111.2E310 E311 L312S308-E310 PolarHBondContact O-N 2.95Å; S308-E311 WeakPolarHBondContact CB-OE2 3.42Å; S308-E311 PolarHBondContact N-OE2 3.19Å; S308-E311 PolarHBondContact O-N 2.98Å; S308-E311 VanDerWaalsContact OG-CD 3.26Å; S308-E311 VanDerWaalsContact OG-CG 3.26Å; S308-E311 WeakPolarHBondContact OG-CG 3.25Å; S308-E311 PolarHBondContact OG-N 3.37Å; S308-E311 PolarHBondContact OG-OE2 2.98Å; S308-L312 PolarHBondContact O-N 3.16Å; S308-L312 VanDerWaalsContact O-N 3.15Å
309K52.7Low54.5Low178 Ų178105.4 Ų105.477%0.77460%0.599SS**Hα-helixtrans-61-29.9-178.8-168.7177.5178.7-175.40112.5E313K309-E313 PolarHBondContact O-N 3.13Å
310E50.7Low56.8Low157 Ų157105.4 Ų105.473%0.73460%0.597SS**Hα-helixtrans-78-39179.8-62.9178.7163.700111.7S308 E313 V314S308-E310 PolarHBondContact O-N 2.95Å; E310-E313 PolarHBondContact O-N 2.69Å; E310-V314 WeakPolarHBondContact O-CG2 3.47Å; E310-V314 PolarHBondContact O-N 3.32Å
311E53.7Low58.9Low125 Ų125102.6 Ų102.658%0.58458%0.579SS**Hα-helixtrans-61.3-46.5173.3-73.2163.712700111.5S308 E313 V314 D315S308-E311 WeakPolarHBondContact CB-OE2 3.42Å; S308-E311 PolarHBondContact N-OE2 3.19Å; S308-E311 PolarHBondContact O-N 2.98Å; S308-E311 VanDerWaalsContact OG-CD 3.26Å; S308-E311 VanDerWaalsContact OG-CG 3.26Å; S308-E311 WeakPolarHBondContact OG-CG 3.25Å; S308-E311 PolarHBondContact OG-N 3.37Å; S308-E311 PolarHBondContact OG-OE2 2.98Å; E311-E313 VanDerWaalsContact C-N 3.28Å; E311-E313 PolarHBondContact O-N 3.19Å; E311-V314 PolarHBondContact O-N 3.45Å; E311-D315 WeakPolarHBondContact O-CB 3.48Å; E311-D315 PolarHBondContact O-N 2.96Å
312L57.6Low61.1Low108 Ų108100.8 Ų100.857%0.56556%0.562SS**Hα-helixtrans-59.4-37.4175.6-74.4164.5000112.3S308 F316S308-L312 PolarHBondContact O-N 3.16Å; S308-L312 VanDerWaalsContact O-N 3.15Å; L312-F316 WeakPolarHBondContact O-CB 3.4Å; L312-F316 PolarHBondContact O-N 2.84Å
313E55.8Low63.3Low103 Ų10398.8 Ų98.848%0.48154%0.539SS..Hα-helixtrans-75.6-32.4178.5-152.5-167.4133.800112.6K309 E310 E311 K317K309-E313 PolarHBondContact O-N 3.13Å; E310-E313 PolarHBondContact O-N 2.69Å; E311-E313 VanDerWaalsContact C-N 3.28Å; E311-E313 PolarHBondContact O-N 3.19Å; E313-K317 VanDerWaalsContact O-CD 3.26Å; E313-K317 WeakPolarHBondContact O-CD 3.17Å; E313-K317 WeakPolarHBondContact O-CG 3.33Å; E313-K317 PolarHBondContact O-N 2.87Å; E313-K317 VanDerWaalsContact OE1-CE 3.32Å; E313-K317 WeakPolarHBondContact OE1-CE 3.48Å; E313-K317 IonicContact OE1-NZ 2.81Å; E313-K317 PolarHBondContact OE1-NZ 3.22Å
314V57.7Low65.3Low74 Ų74101.4 Ų101.445%0.44854%0.535SS..Hα-helixtrans-68.2-42.3171167.50000110.9E310 E311 K317 K318E310-V314 WeakPolarHBondContact O-CG2 3.47Å; E310-V314 PolarHBondContact O-N 3.32Å; E311-V314 PolarHBondContact O-N 3.45Å; V314-K317 WeakPolarHBondContact O-CB 3.4Å; V314-K317 PolarHBondContact O-N 3.13Å; V314-K318 HydrophobicContact CG1-CD 4.49Å; V314-K318 WeakPolarHBondContact O-CG 3.44Å; V314-K318 PolarHBondContact O-N 3.44Å
315D70.6Confident67.6Low71 Ų71105 Ų10538%0.3853%0.525SS..Hα-helixtrans-72.6-37.1-177.7-152.443.2000111.9E311 K317 K318 L319E311-D315 WeakPolarHBondContact O-CB 3.48Å; E311-D315 PolarHBondContact O-N 2.96Å; D315-K317 VanDerWaalsContact C-N 3.29Å; D315-K317 PolarHBondContact O-N 2.93Å; D315-K318 WeakPolarHBondContact O-CB 3.16Å; D315-K318 PolarHBondContact O-N 3.1Å; D315-K318 VanDerWaalsContact O-N 3.1Å; D315-L319 PolarHBondContact O-N 3.03Å
316F77.6Confident69.9Low152 Ų152103.2 Ų103.267%0.66750%0.5SS*.Hα-helixtrans-60.7-36.9169.4-167.1-95.7000112.5L312 K320L312-F316 WeakPolarHBondContact O-CB 3.4Å; L312-F316 PolarHBondContact O-N 2.84Å; F316-K320 WeakPolarHBondContact O-CB 3.25Å; F316-K320 PolarHBondContact O-N 3.29Å
317K80Confident71.9Confident103 Ų103103.4 Ų103.445%0.44849%0.488SS..Hα-helixtrans-66.4-38.6172.9-72.6162.5-168.6161.90111.7E313 V314 D315 Q321E313-K317 VanDerWaalsContact O-CD 3.26Å; E313-K317 WeakPolarHBondContact O-CD 3.17Å; E313-K317 WeakPolarHBondContact O-CG 3.33Å; E313-K317 PolarHBondContact O-N 2.87Å; E313-K317 VanDerWaalsContact OE1-CE 3.32Å; E313-K317 WeakPolarHBondContact OE1-CE 3.48Å; E313-K317 IonicContact OE1-NZ 2.81Å; E313-K317 PolarHBondContact OE1-NZ 3.22Å; V314-K317 WeakPolarHBondContact O-CB 3.4Å; V314-K317 PolarHBondContact O-N 3.13Å; D315-K317 VanDerWaalsContact C-N 3.29Å; D315-K317 PolarHBondContact O-N 2.93Å; K317-Q321 WeakPolarHBondContact O-CG 3.33Å; K317-Q321 PolarHBondContact O-N 3.21Å; K317-Q321 VanDerWaalsContact O-N 3.08Å
318K78.4Confident73.7Confident102 Ų102111 Ų11144%0.44351%0.505SS..Hα-helixtrans-65.4-51.4173.6-71.6174.7-179.5174.70112V314 D315 K320 Q321 I322V314-K318 HydrophobicContact CG1-CD 4.49Å; V314-K318 WeakPolarHBondContact O-CG 3.44Å; V314-K318 PolarHBondContact O-N 3.44Å; D315-K318 WeakPolarHBondContact O-CB 3.16Å; D315-K318 PolarHBondContact O-N 3.1Å; D315-K318 VanDerWaalsContact O-N 3.1Å; K318-K320 PolarHBondContact O-N 3.31Å; K318-Q321 WeakPolarHBondContact O-CA 3.29Å; K318-Q321 WeakPolarHBondContact O-CB 3.34Å; K318-Q321 PolarHBondContact O-N 3.43Å; K318-I322 WeakPolarHBondContact O-CG1 3.41Å; K318-I322 PolarHBondContact O-N 2.83Å
319L82.6Confident75.4Confident40 Ų40111.1 Ų111.121%0.20950%0.503CS..Hα-helixtrans-54.6-41176.2-102.974.1000111.7D315 I322 K323D315-L319 PolarHBondContact O-N 3.03Å; L319-I322 PolarHBondContact O-N 3.02Å; L319-K323 WeakPolarHBondContact O-CB 3.39Å; L319-K323 WeakPolarHBondContact O-CG 3.28Å; L319-K323 PolarHBondContact O-N 3.26Å
320K84.3Confident77.2Confident129 Ų129103.9 Ų103.956%0.56147%0.473SS*.Hα-helixtrans-65.8-37.5175.4-169.1169.4-175.5172.50112.8F316 K318 N324F316-K320 WeakPolarHBondContact O-CB 3.25Å; F316-K320 PolarHBondContact O-N 3.29Å; K318-K320 PolarHBondContact O-N 3.31Å; K320-N324 VanDerWaalsContact O-CB 3.3Å; K320-N324 WeakPolarHBondContact O-CB 3.37Å; K320-N324 PolarHBondContact O-N 2.95Å; K320-N324 PolarHBondContact O-OD1 2.89Å
321Q84.8Confident79.3Confident112 Ų11299.4 Ų99.452%0.52345%0.45SS..Hα-helixtrans-67.8-36.5173.9-73.1176.810.200112.7K317 K318 R325K317-Q321 WeakPolarHBondContact O-CG 3.33Å; K317-Q321 PolarHBondContact O-N 3.21Å; K317-Q321 VanDerWaalsContact O-N 3.08Å; K318-Q321 WeakPolarHBondContact O-CA 3.29Å; K318-Q321 WeakPolarHBondContact O-CB 3.34Å; K318-Q321 PolarHBondContact O-N 3.43Å; Q321-R325 WeakPolarHBondContact O-CG 3.32Å
322I85.6Confident81.2Confident15 Ų1595.2 Ų95.28%0.07743%0.431CS..Hα-helixtrans-66.1-54.5174.6-62.6163000109.5K318 L319 N324 R325 M326 D365 L369K318-I322 WeakPolarHBondContact O-CG1 3.41Å; K318-I322 PolarHBondContact O-N 2.83Å; L319-I322 PolarHBondContact O-N 3.02Å; I322-N324 PolarHBondContact O-N 3.18Å; I322-R325 PolarHBondContact O-N 2.73Å; I322-M326 PolarHBondContact O-N 2.84Å; I322-D365 HydrophobicContact CD1-CB 3.86Å; I322-D365 HydrophobicContact CG1-CB 4.15Å; I322-D365 HydrophobicContact CG2-CB 4.33Å; I322-L369 HydrophobicContact CB-CD1 4.39Å; I322-L369 HydrophobicContact CG2-CD1 3.67Å
323K86Confident83Confident75 Ų7590 Ų9033%0.32640%0.404SS..Hα-helixtrans-53.3-39.8177.6-74.1-169.2178.7-168.90112.9L319 R325 M326 W331 L369L319-K323 WeakPolarHBondContact O-CB 3.39Å; L319-K323 WeakPolarHBondContact O-CG 3.28Å; L319-K323 PolarHBondContact O-N 3.26Å; K323-R325 PolarHBondContact O-N 2.96Å; K323-M326 PolarHBondContact O-N 3.06Å; K323-W331 HydrophobicContact CB-CZ2 4.2Å; K323-W331 HydrophobicContact CD-CH2 4.04Å; K323-W331 HydrophobicContact CD-CZ2 4.43Å; K323-W331 HydrophobicContact CG-CH2 3.83Å; K323-W331 HydrophobicContact CG-CZ2 3.97Å; K323-L369 HydrophobicContact CG-CD1 3.66Å; K323-L369 HydrophobicContact CG-CG 4.43Å
324N85.4Confident84.9Confident128 Ų12885.2 Ų85.268%0.68438%0.381SS*.THydrogen-bonded Turntrans-68.8-11.6178.1-76.68.7000114.8K320 I322K320-N324 VanDerWaalsContact O-CB 3.3Å; K320-N324 WeakPolarHBondContact O-CB 3.37Å; K320-N324 PolarHBondContact O-N 2.95Å; K320-N324 PolarHBondContact O-OD1 2.89Å; I322-N324 PolarHBondContact O-N 3.18Å
325R89Confident86.7Confident186 Ų18684.8 Ų84.870%0.70238%0.376SS*.THydrogen-bonded Turntrans-102.4-15.7178.9-69.4170.3178.5177.50.2113.5Q321 I322 K323Q321-R325 WeakPolarHBondContact O-CG 3.32Å; I322-R325 PolarHBondContact O-N 2.73Å; K323-R325 PolarHBondContact O-N 2.96Å
326M88.1Confident87.9Confident29 Ų2981.4 Ų81.414%0.14336%0.358CS..  trans-72.4133.2-175.4-69.9-174.874.500112.6I322 K323 D330 W331 L334 L369I322-M326 PolarHBondContact O-N 2.84Å; K323-M326 PolarHBondContact O-N 3.06Å; M326-D330 HydrophobicContact CB-CB 4.2Å; M326-D330 HydrophobicContact CE-CB 3.65Å; M326-D330 HydrophobicContact CG-CB 4.38Å; M326-W331 HydrophobicContact CB-CZ2 4.34Å; M326-W331 HydrophobicContact CE-CD2 3.84Å; M326-W331 HydrophobicContact CE-CE3 4.01Å; M326-W331 HydrophobicContact CE-CG 4.2Å; M326-W331 HydrophobicContact CE-CZ2 4.47Å; M326-W331 HydrophobicContact CE-CZ3 4.38Å; M326-W331 HydrophobicContact SD-CD2 4.12Å; M326-W331 HydrophobicContact SD-CE3 4.33Å; M326-W331 HydrophobicContact SD-CH2 3.9Å; M326-W331 HydrophobicContact SD-CZ2 3.65Å; M326-W331 HydrophobicContact SD-CZ3 4.21Å; M326-L334 HydrophobicContact CE-CD1 3.45Å; M326-L334 VanDerWaalsContact CE-CD1 3.45Å; M326-L334 HydrophobicContact CE-CG 3.82Å; M326-L334 HydrophobicContact SD-CD1 4.25Å; M326-L369 HydrophobicContact SD-CD1 3.53Å; M326-L369 VanDerWaalsContact SD-CD1 3.53Å
327R88.6Confident88.7Confident190 Ų19074.1 Ų74.172%0.71733%0.327SS*.  trans-86.4169.4172.2-54.6-180-179-166.71110.7T329 D330 W331R327-T329 VanDerWaalsContact C-N 3.25Å; R327-T329 PolarHBondContact O-N 3.06Å; R327-D330 WeakPolarHBondContact CA-OD2 3.48Å; R327-D330 VanDerWaalsContact CB-OD2 3.3Å; R327-D330 WeakPolarHBondContact CB-OD2 3.43Å; R327-D330 PolarHBondContact N-OD2 3.4Å; R327-D330 PolarHBondContact O-N 3Å; R327-D330 VanDerWaalsContact O-N 3.07Å; R327-W331 VanDerWaalsContact O-CD1 3.29Å; R327-W331 PolarHBondContact O-N 3.27Å; R327-W331 VanDerWaalsContact O-N 3.15Å
328R87Confident89.5Confident200 Ų20071.6 Ų71.676%0.75532%0.32SS*.Hα-helixtrans-54.4-40.7175.7-174.5-179.5179.3111.51.1112.4W331 L332R328-W331 PolarHBondContact O-N 2.93Å; R328-L332 HydrophobicContact CG-CD1 4.46Å; R328-L332 WeakPolarHBondContact O-CG 3.43Å; R328-L332 PolarHBondContact O-N 3.26Å
329T86.9Confident90.3Very high57 Ų5766.9 Ų66.935%0.3530%0.3SS..Hα-helixtrans-64.4-36177.147.20000113.1R327 L332 F333R327-T329 VanDerWaalsContact C-N 3.25Å; R327-T329 PolarHBondContact O-N 3.06Å; T329-L332 PolarHBondContact O-N 3.11Å; T329-F333 PolarHBondContact O-N 3.2Å
330D92.1Very high90.9Very high26 Ų2665 Ų6514%0.13929%0.29CS..Hα-helixtrans-70.8-40178.3-52-45.3000110.5M326 R327 F333 L334 R360M326-D330 HydrophobicContact CB-CB 4.2Å; M326-D330 HydrophobicContact CE-CB 3.65Å; M326-D330 HydrophobicContact CG-CB 4.38Å; R327-D330 WeakPolarHBondContact CA-OD2 3.48Å; R327-D330 VanDerWaalsContact CB-OD2 3.3Å; R327-D330 WeakPolarHBondContact CB-OD2 3.43Å; R327-D330 PolarHBondContact N-OD2 3.4Å; R327-D330 PolarHBondContact O-N 3Å; R327-D330 VanDerWaalsContact O-N 3.07Å; D330-F333 WeakPolarHBondContact O-CB 3.41Å; D330-F333 PolarHBondContact O-N 3.28Å; D330-L334 WeakPolarHBondContact O-CG 3.43Å; D330-L334 PolarHBondContact O-N 3.44Å; D330-R360 IonicContact OD1-CZ 3.14Å; D330-R360 VanDerWaalsContact OD1-CZ 3.27Å; D330-R360 IonicContact OD1-NH1 3.54Å; D330-R360 PolarHBondContact OD1-NH1 3.04Å; D330-R360 IonicContact OD1-NH2 2.71Å; D330-R360 PolarHBondContact OD1-NH2 3.31Å
331W92.8Very high91.4Very high63 Ų6359.2 Ų59.224%0.23927%0.266CS..Hα-helixtrans-64.1-38.8172.7-74.7112000112.8I298 K323 M326 R327 R328 N335 L369I298-W331 HydrophobicContact CD1-CE3 4.26Å; I298-W331 HydrophobicContact CD1-CZ3 3.71Å; K323-W331 HydrophobicContact CB-CZ2 4.2Å; K323-W331 HydrophobicContact CD-CH2 4.04Å; K323-W331 HydrophobicContact CD-CZ2 4.43Å; K323-W331 HydrophobicContact CG-CH2 3.83Å; K323-W331 HydrophobicContact CG-CZ2 3.97Å; M326-W331 HydrophobicContact CB-CZ2 4.34Å; M326-W331 HydrophobicContact CE-CD2 3.84Å; M326-W331 HydrophobicContact CE-CE3 4.01Å; M326-W331 HydrophobicContact CE-CG 4.2Å; M326-W331 HydrophobicContact CE-CZ2 4.47Å; M326-W331 HydrophobicContact CE-CZ3 4.38Å; M326-W331 HydrophobicContact SD-CD2 4.12Å; M326-W331 HydrophobicContact SD-CE3 4.33Å; M326-W331 HydrophobicContact SD-CH2 3.9Å; M326-W331 HydrophobicContact SD-CZ2 3.65Å; M326-W331 HydrophobicContact SD-CZ3 4.21Å; R327-W331 VanDerWaalsContact O-CD1 3.29Å; R327-W331 PolarHBondContact O-N 3.27Å; R327-W331 VanDerWaalsContact O-N 3.15Å; R328-W331 PolarHBondContact O-N 2.93Å; W331-N335 WeakPolarHBondContact O-CB 3.24Å; W331-N335 PolarHBondContact O-N 3.28Å; W331-N335 PolarHBondContact O-ND2 3.11Å; W331-L369 HydrophobicContact CH2-CD1 4.39Å; W331-L369 HydrophobicContact CH2-CD2 4.22Å; W331-L369 HydrophobicContact CZ3-CD2 4.08Å
332L94.1Very high91.8Very high36 Ų3659.1 Ų59.119%0.18827%0.265CS..Hα-helixtrans-65.1-39.4173.4-70.4171.8000111.8R328 T329 N335 A336 A350 Y351R328-L332 HydrophobicContact CG-CD1 4.46Å; R328-L332 WeakPolarHBondContact O-CG 3.43Å; R328-L332 PolarHBondContact O-N 3.26Å; T329-L332 PolarHBondContact O-N 3.11Å; L332-N335 PolarHBondContact O-N 2.86Å; L332-A336 WeakPolarHBondContact O-CB 3.41Å; L332-A336 PolarHBondContact O-N 3.13Å; L332-A350 HydrophobicContact CD2-CB 4.35Å; L332-Y351 HydrophobicContact CB-CD2 3.78Å
333F95.8Very high92Very high0 Ų060 Ų600%028%0.278CS..Hα-helixtrans-60-51.3174.7179.3-121.2000111.7T329 D330 N335 A336 C337 Y351 R360 L362 L382T329-F333 PolarHBondContact O-N 3.2Å; D330-F333 WeakPolarHBondContact O-CB 3.41Å; D330-F333 PolarHBondContact O-N 3.28Å; F333-N335 VanDerWaalsContact C-N 3.33Å; F333-N335 PolarHBondContact O-N 2.85Å; F333-A336 WeakPolarHBondContact O-CB 3.34Å; F333-A336 PolarHBondContact O-N 3.23Å; F333-A336 VanDerWaalsContact O-N 3.13Å; F333-C337 PolarHBondContact O-N 3Å; F333-C337 PolarHBondContact O-SG 2.79Å; F333-Y351 HydrophobicContact CB-CD2 4.03Å; F333-Y351 HydrophobicContact CB-CE2 3.53Å; F333-Y351 HydrophobicContact CD2-CD1 4.41Å; F333-Y351 AromaticContact CD2-CE1 3.74Å; F333-Y351 HydrophobicContact CD2-CE1 3.74Å; F333-Y351 HydrophobicContact CD2-CE2 4.22Å; F333-Y351 AromaticContact CD2-CZ 3.61Å; F333-Y351 HydrophobicContact CG-CE2 4.33Å; F333-Y351 VanDerWaalsContact N-CD2 3.32Å; F333-R360 HydrophobicContact CD1-CG 4.28Å; F333-R360 HydrophobicContact CD2-CB 4.36Å; F333-R360 HydrophobicContact CD2-CG 4.26Å; F333-R360 HydrophobicContact CE1-CG 3.85Å; F333-R360 HydrophobicContact CE2-CB 3.84Å; F333-R360 HydrophobicContact CE2-CG 3.84Å; F333-R360 HydrophobicContact CG-CG 4.46Å; F333-R360 HydrophobicContact CZ-CB 4.04Å; F333-R360 HydrophobicContact CZ-CG 3.63Å; F333-R360 WeakPolarHBondContact CZ-O 3.42Å; F333-L362 HydrophobicContact CD1-CD2 4.41Å; F333-L362 HydrophobicContact CE1-CD2 3.7Å; F333-L362 HydrophobicContact CE1-CG 3.95Å; F333-L362 HydrophobicContact CZ-CD2 4.32Å; F333-L362 HydrophobicContact CZ-CG 4.11Å; F333-L382 HydrophobicContact CE2-CG 4.18Å
334L95.6Very high92.4Very high2 Ų259.7 Ų59.71%0.0128%0.28CS..Hα-helixtrans-65.4-36179.9-60.7-161.2000112.6M326 D330 C337 V338 L362 E366 L369 L370M326-L334 HydrophobicContact CE-CD1 3.45Å; M326-L334 VanDerWaalsContact CE-CD1 3.45Å; M326-L334 HydrophobicContact CE-CG 3.82Å; M326-L334 HydrophobicContact SD-CD1 4.25Å; D330-L334 WeakPolarHBondContact O-CG 3.43Å; D330-L334 PolarHBondContact O-N 3.44Å; L334-C337 PolarHBondContact O-N 2.71Å; L334-V338 WeakPolarHBondContact O-CG2 3.21Å; L334-V338 PolarHBondContact O-N 2.91Å; L334-L362 HydrophobicContact CD2-CD2 3.58Å; L334-E366 HydrophobicContact CD1-CB 4.3Å; L334-E366 HydrophobicContact CD1-CG 4.28Å; L334-E366 HydrophobicContact CD2-CB 3.79Å; L334-E366 HydrophobicContact CD2-CG 3.91Å; L334-L369 HydrophobicContact CD1-CD2 3.83Å; L334-L370 HydrophobicContact CB-CD2 4.14Å; L334-L370 HydrophobicContact CD1-CD2 4.46Å; L334-L370 HydrophobicContact CD1-CG 4.39Å; L334-L370 HydrophobicContact CD2-CD1 4.19Å; L334-L370 HydrophobicContact CD2-CG 4.45Å
335N95.3Very high92.6Very high64 Ų6456.1 Ų56.134%0.34226%0.261SS..Hα-helixtrans-63.9-40.1172.8-73-13.6000111.6W331 L332 F333 V338 G339W331-N335 WeakPolarHBondContact O-CB 3.24Å; W331-N335 PolarHBondContact O-N 3.28Å; W331-N335 PolarHBondContact O-ND2 3.11Å; L332-N335 PolarHBondContact O-N 2.86Å; F333-N335 VanDerWaalsContact C-N 3.33Å; F333-N335 PolarHBondContact O-N 2.85Å; N335-V338 PolarHBondContact O-N 3.39Å; N335-G339 PolarHBondContact O-N 2.66Å
336A95.4Very high92.8Very high0 Ų050.1 Ų50.10%025%0.251CS..Hα-helixtrans-65.3-40.517300000112.2L332 F333 V338 G339 V340 V348 Y351 L382L332-A336 WeakPolarHBondContact O-CB 3.41Å; L332-A336 PolarHBondContact O-N 3.13Å; F333-A336 WeakPolarHBondContact O-CB 3.34Å; F333-A336 PolarHBondContact O-N 3.23Å; F333-A336 VanDerWaalsContact O-N 3.13Å; A336-V338 VanDerWaalsContact C-N 3.34Å; A336-V338 PolarHBondContact O-N 2.92Å; A336-G339 PolarHBondContact O-N 2.69Å; A336-G339 VanDerWaalsContact O-N 3.12Å; A336-V340 WeakPolarHBondContact O-CG2 3.36Å; A336-V340 PolarHBondContact O-N 3.12Å; A336-V348 HydrophobicContact CB-CG2 4.48Å; A336-Y351 HydrophobicContact CB-CD1 4.47Å; A336-Y351 HydrophobicContact CB-CG 4.23Å; A336-L382 HydrophobicContact CB-CD1 4.06Å; A336-L382 HydrophobicContact CB-CD2 3.78Å
337C95.7Very high93Very high0 Ų049.6 Ų49.60%025%0.251CS..Hα-helixtrans-58.6-44.1174-66.90000111.8F333 L334 V341 L362 L370 F376 L382 L385F333-C337 PolarHBondContact O-N 3Å; F333-C337 PolarHBondContact O-SG 2.79Å; L334-C337 PolarHBondContact O-N 2.71Å; C337-V341 WeakPolarHBondContact O-CG2 3.39Å; C337-L362 HydrophobicContact CB-CD1 4.49Å; C337-L370 HydrophobicContact CB-CD1 4.42Å; C337-F376 HydrophobicContact CB-CD1 4.49Å; C337-F376 HydrophobicContact CB-CE1 3.9Å; C337-F376 WeakPolarHBondContact O-CE1 3.31Å; C337-L382 HydrophobicContact CB-CD2 4.45Å; C337-L385 HydrophobicContact CB-CD1 3.83Å
338V95.6Very high93.1Very high50 Ų5040.6 Ų40.630%0.30322%0.217SC..Hα-helixtrans-65.8-41.2172.8175.30000111.3L334 N335 A336 V340 V341 E342 L370 F376L334-V338 WeakPolarHBondContact O-CG2 3.21Å; L334-V338 PolarHBondContact O-N 2.91Å; N335-V338 PolarHBondContact O-N 3.39Å; A336-V338 VanDerWaalsContact C-N 3.34Å; A336-V338 PolarHBondContact O-N 2.92Å; V338-V340 PolarHBondContact O-N 2.89Å; V338-V341 WeakPolarHBondContact O-CB 3.36Å; V338-V341 PolarHBondContact O-N 2.86Å; V338-V341 VanDerWaalsContact O-N 3.12Å; V338-E342 HydrophobicContact CG1-CG 4.17Å; V338-E342 PolarHBondContact O-N 3.47Å; V338-L370 HydrophobicContact CG2-CD2 3.66Å; V338-F376 HydrophobicContact CG2-CZ 4.14Å
339G95.1Very high93.2Very high3 Ų335.2 Ų35.23%0.03120%0.2CC..Hα-helixtrans-59.3-42.8179.500000113.3N335 A336 V341 E342 G343 D344N335-G339 PolarHBondContact O-N 2.66Å; A336-G339 PolarHBondContact O-N 2.69Å; A336-G339 VanDerWaalsContact O-N 3.12Å; G339-V341 VanDerWaalsContact C-N 3.31Å; G339-V341 PolarHBondContact O-N 3.01Å; G339-E342 PolarHBondContact O-N 2.89Å; G339-G343 CarbonylContact O-C 3.47Å; G339-G343 WeakPolarHBondContact O-CA 3.4Å; G339-G343 PolarHBondContact O-N 3.1Å; G339-D344 PolarHBondContact O-N 2.95Å
340V95.6Very high93.2Very high0 Ų034.5 Ų34.50%020%0.2CC..Hα-helixtrans-60.8-39.6174.71770000112.2A336 V338 V348 L382 L385 A386 R391 M394A336-V340 WeakPolarHBondContact O-CG2 3.36Å; A336-V340 PolarHBondContact O-N 3.12Å; V338-V340 PolarHBondContact O-N 2.89Å; V340-V348 HydrophobicContact CG2-CG2 3.6Å; V340-L382 HydrophobicContact CG2-CD2 4.13Å; V340-L385 HydrophobicContact CB-CB 4.17Å; V340-L385 VanDerWaalsContact CG1-C 3.43Å; V340-L385 HydrophobicContact CG1-CB 3.62Å; V340-A386 HydrophobicContact CG1-CB 4.04Å; V340-R391 HydrophobicContact CG1-CG 4.11Å; V340-R391 WeakPolarHBondContact O-CG 3.36Å; V340-R391 PolarHBondContact O-NE 2.84Å; V340-M394 HydrophobicContact CB-SD 4.19Å; V340-M394 HydrophobicContact CG1-SD 4.34Å; V340-M394 HydrophobicContact CG2-SD 3.96Å
341V94.6Very high93.1Very high8 Ų833.4 Ų33.45%0.04819%0.194CC..Hα-helixtrans-67.3-49.3178.1178.10000110.8C337 V338 G339 A375 F376 F389 R391C337-V341 WeakPolarHBondContact O-CG2 3.39Å; V338-V341 WeakPolarHBondContact O-CB 3.36Å; V338-V341 PolarHBondContact O-N 2.86Å; V338-V341 VanDerWaalsContact O-N 3.12Å; G339-V341 VanDerWaalsContact C-N 3.31Å; G339-V341 PolarHBondContact O-N 3.01Å; V341-A375 HydrophobicContact CG1-CB 4.26Å; V341-A375 HydrophobicContact CG2-CB 3.99Å; V341-F376 HydrophobicContact CG2-CE1 3.62Å; V341-F376 HydrophobicContact CG2-CZ 3.7Å; V341-F389 HydrophobicContact CG1-CD1 4.31Å; V341-F389 HydrophobicContact CG1-CE1 3.87Å; V341-F389 HydrophobicContact CG1-CE2 4.44Å; V341-F389 HydrophobicContact CG1-CZ 3.95Å; V341-F389 HydrophobicContact CG2-CD2 4.03Å; V341-F389 HydrophobicContact CG2-CE2 3.73Å; V341-F389 HydrophobicContact CG2-CZ 4.04Å; V341-R391 PolarHBondContact O-NH2 3.4Å
342E93.1Very high92.7Very high109 Ų10932.6 Ų32.651%0.50919%0.192SC..Hα-helixtrans-77.4-28.7-176.1-62.8-54.3121.500113.8V338 G339 R372 R391V338-E342 HydrophobicContact CG1-CG 4.17Å; V338-E342 PolarHBondContact O-N 3.47Å; G339-E342 PolarHBondContact O-N 2.89Å; E342-R372 IonicContact OE1-CZ 3.31Å; E342-R372 IonicContact OE1-NH1 3.24Å; E342-R372 PolarHBondContact OE1-NH1 3.18Å; E342-R372 IonicContact OE1-NH2 2.66Å; E342-R372 PolarHBondContact OE1-NH2 3.16Å; E342-R391 PolarHBondContact O-NH2 3.48Å; E342-R391 VanDerWaalsContact O-NH2 3.07Å
343G91.6Very high92.1Very high34 Ų3434.2 Ų34.235%0.35120%0.204SC..THydrogen-bonded Turntrans101.820.3-173.700000114.2G339 L345 R391 M394G339-G343 CarbonylContact O-C 3.47Å; G339-G343 WeakPolarHBondContact O-CA 3.4Å; G339-G343 PolarHBondContact O-N 3.1Å; G343-L345 PolarHBondContact O-N 3.42Å; G343-R391 VanDerWaalsContact CA-CZ 3.41Å; G343-R391 VanDerWaalsContact N-NH2 3.18Å; G343-M394 VanDerWaalsContact C-CE 3.45Å
344D92.9Very high91.3Very high68 Ų6835.8 Ų35.836%0.36422%0.215SC..  trans-87.498.1174.5-176-12.2000110.1G339 A346 A347G339-D344 PolarHBondContact O-N 2.95Å; D344-A346 VanDerWaalsContact C-N 3.34Å; D344-A346 WeakPolarHBondContact OD1-CB 3.09Å; D344-A346 PolarHBondContact OD1-N 3.26Å; D344-A347 HydrophobicContact CB-CB 4.28Å; D344-A347 PolarHBondContact OD1-N 3.27Å
345L91Very high90.1Very high54 Ų5437.9 Ų37.928%0.28324%0.237SC..Hα-helixtrans-66-35.3176177.263.7000112G343 A347 V348 E349 M394G343-L345 PolarHBondContact O-N 3.42Å; L345-A347 VanDerWaalsContact C-N 3.28Å; L345-A347 PolarHBondContact O-N 3.38Å; L345-V348 WeakPolarHBondContact O-CA 3.14Å; L345-V348 WeakPolarHBondContact O-CB 3.26Å; L345-V348 PolarHBondContact O-N 3.35Å; L345-E349 HydrophobicContact CD1-CG 4.12Å; L345-E349 HydrophobicContact CG-CG 4.07Å; L345-E349 WeakPolarHBondContact O-CG 3.43Å; L345-E349 PolarHBondContact O-N 2.94Å; L345-M394 HydrophobicContact CB-CE 4.25Å; L345-M394 HydrophobicContact CD1-CG 3.89Å
346A91.6Very high89.5Confident60 Ų6035.5 Ų35.550%0.49623%0.227SC..Hα-helixtrans-66-32.5-176.500000111.8D344 V348 A350D344-A346 VanDerWaalsContact C-N 3.34Å; D344-A346 WeakPolarHBondContact OD1-CB 3.09Å; D344-A346 PolarHBondContact OD1-N 3.26Å; A346-V348 VanDerWaalsContact C-N 3.33Å; A346-A350 VanDerWaalsContact O-CB 3.23Å; A346-A350 WeakPolarHBondContact O-CB 3.3Å; A346-A350 PolarHBondContact O-N 3.44Å
347A92.8Very high88.8Confident17 Ų1740 Ų4014%0.1425%0.252CS..Hα-helixtrans-63.2-37.1171.100000112.8D344 L345 Y351D344-A347 HydrophobicContact CB-CB 4.28Å; D344-A347 PolarHBondContact OD1-N 3.27Å; L345-A347 VanDerWaalsContact C-N 3.28Å; L345-A347 PolarHBondContact O-N 3.38Å; A347-Y351 PolarHBondContact O-N 2.97Å
348V91.4Very high88.4Confident1 Ų140.4 Ų40.41%0.00625%0.254CS..Hα-helixtrans-72.9-45.2176.9-174.70000110.9A336 V340 L345 A346 A350 Y351 K352 M394 L398A336-V348 HydrophobicContact CB-CG2 4.48Å; V340-V348 HydrophobicContact CG2-CG2 3.6Å; L345-V348 WeakPolarHBondContact O-CA 3.14Å; L345-V348 WeakPolarHBondContact O-CB 3.26Å; L345-V348 PolarHBondContact O-N 3.35Å; A346-V348 VanDerWaalsContact C-N 3.33Å; V348-A350 VanDerWaalsContact C-N 3.3Å; V348-A350 PolarHBondContact O-N 3.44Å; V348-Y351 PolarHBondContact O-N 3.31Å; V348-K352 PolarHBondContact O-N 3.26Å; V348-M394 HydrophobicContact CG2-SD 4.01Å; V348-L398 HydrophobicContact CG1-CD1 4.46Å; V348-L398 HydrophobicContact CG1-CD2 3.82Å; V348-L398 HydrophobicContact CG1-CG 4.28Å
349E87.7Confident87.8Confident87 Ų8740.9 Ų40.941%0.40726%0.263SS..Hα-helixtrans-62.4-34.6175.9-70.7179.4154.600112.5L345 T353L345-E349 HydrophobicContact CD1-CG 4.12Å; L345-E349 HydrophobicContact CG-CG 4.07Å; L345-E349 WeakPolarHBondContact O-CG 3.43Å; L345-E349 PolarHBondContact O-N 2.94Å; E349-T353 WeakPolarHBondContact O-CB 3.23Å; E349-T353 PolarHBondContact O-N 3.13Å; E349-T353 PolarHBondContact O-OG1 2.9Å; E349-T353 VanDerWaalsContact O-OG1 3.05Å
350A87.9Confident87.7Confident42 Ų4243.3 Ų43.335%0.34727%0.271SS..Hα-helixtrans-66.4-39.1174.800000112.5L332 A346 V348 S354L332-A350 HydrophobicContact CD2-CB 4.35Å; A346-A350 VanDerWaalsContact O-CB 3.23Å; A346-A350 WeakPolarHBondContact O-CB 3.3Å; A346-A350 PolarHBondContact O-N 3.44Å; V348-A350 VanDerWaalsContact C-N 3.3Å; V348-A350 PolarHBondContact O-N 3.44Å; A350-S354 PolarHBondContact O-N 3.21Å
351Y90.6Very high87.6Confident4 Ų449 Ų492%0.01630%0.298CS..Hα-helixtrans-68.7-49.2174.3-178.8-114.3000111.8L332 F333 A336 A347 V348 T353 S354 G356 D357 I358 R360 L382L332-Y351 HydrophobicContact CB-CD2 3.78Å; F333-Y351 HydrophobicContact CB-CD2 4.03Å; F333-Y351 HydrophobicContact CB-CE2 3.53Å; F333-Y351 HydrophobicContact CD2-CD1 4.41Å; F333-Y351 AromaticContact CD2-CE1 3.74Å; F333-Y351 HydrophobicContact CD2-CE1 3.74Å; F333-Y351 HydrophobicContact CD2-CE2 4.22Å; F333-Y351 AromaticContact CD2-CZ 3.61Å; F333-Y351 HydrophobicContact CG-CE2 4.33Å; F333-Y351 VanDerWaalsContact N-CD2 3.32Å; A336-Y351 HydrophobicContact CB-CD1 4.47Å; A336-Y351 HydrophobicContact CB-CG 4.23Å; A347-Y351 PolarHBondContact O-N 2.97Å; V348-Y351 PolarHBondContact O-N 3.31Å; Y351-T353 VanDerWaalsContact C-N 3.29Å; Y351-T353 PolarHBondContact O-N 3.35Å; Y351-S354 WeakPolarHBondContact O-CB 3.14Å; Y351-S354 PolarHBondContact O-N 2.88Å; Y351-S354 PolarHBondContact O-OG 2.65Å; Y351-G356 PolarHBondContact O-N 3.11Å; Y351-D357 PolarHBondContact OH-N 2.79Å; Y351-D357 PolarHBondContact OH-O 3.07Å; Y351-I358 HydrophobicContact CD1-CD1 4.22Å; Y351-I358 HydrophobicContact CE1-CD1 4.32Å; Y351-R360 WeakPolarHBondContact OH-CD 3.3Å; Y351-L382 HydrophobicContact CD1-CD1 3.53Å; Y351-L382 HydrophobicContact CE1-CD1 3.87Å
352K84.1Confident87.6Confident45 Ų4548.7 Ų48.720%0.19630%0.296CS..Hα-helixtrans-52.3-47.7172.9169.6164.4161.1149.40111.3V348 S354 G355 I358 V397 E401V348-K352 PolarHBondContact O-N 3.26Å; K352-S354 PolarHBondContact O-N 3.33Å; K352-S354 VanDerWaalsContact O-N 3.16Å; K352-G355 PolarHBondContact O-N 3.21Å; K352-I358 HydrophobicContact CB-CD1 4.49Å; K352-V397 HydrophobicContact CD-CG1 3.89Å; K352-V397 PolarHBondContact NZ-O 2.71Å; K352-V397 VanDerWaalsContact NZ-O 3.1Å; K352-E401 HydrophobicContact CD-CB 4.33Å; K352-E401 HydrophobicContact CD-CG 4.17Å; K352-E401 VanDerWaalsContact CE-OE1 3.23Å; K352-E401 WeakPolarHBondContact CE-OE1 3.34Å; K352-E401 WeakPolarHBondContact CE-OE2 3.47Å; K352-E401 HydrophobicContact CG-CG 4.38Å; K352-E401 VanDerWaalsContact CG-OE1 3.29Å; K352-E401 WeakPolarHBondContact CG-OE1 3.48Å; K352-E401 VanDerWaalsContact NZ-CD 3.28Å; K352-E401 IonicContact NZ-OE1 2.84Å; K352-E401 IonicContact NZ-OE2 3.24Å; K352-E401 PolarHBondContact NZ-OE2 2.8Å
353T80.3Confident87.6Confident70 Ų7046.9 Ų46.943%0.42929%0.292SS..Hα-helixtrans-61.8-23.2177.9-790000114.5E349 Y351 G355 K525E349-T353 WeakPolarHBondContact O-CB 3.23Å; E349-T353 PolarHBondContact O-N 3.13Å; E349-T353 PolarHBondContact O-OG1 2.9Å; E349-T353 VanDerWaalsContact O-OG1 3.05Å; Y351-T353 VanDerWaalsContact C-N 3.29Å; Y351-T353 PolarHBondContact O-N 3.35Å; T353-G355 VanDerWaalsContact C-N 3.28Å; T353-G355 PolarHBondContact O-N 2.96Å; T353-K525 PolarHBondContact OG1-NZ 2.91Å
354S78.8Confident87.5Confident33 Ų3348 Ų4823%0.23130%0.295CS..THydrogen-bonded Turntrans-80.9-0.317472.80000114.7A350 Y351 K352 G356A350-S354 PolarHBondContact O-N 3.21Å; Y351-S354 WeakPolarHBondContact O-CB 3.14Å; Y351-S354 PolarHBondContact O-N 2.88Å; Y351-S354 PolarHBondContact O-OG 2.65Å; K352-S354 PolarHBondContact O-N 3.33Å; K352-S354 VanDerWaalsContact O-N 3.16Å; S354-G356 VanDerWaalsContact C-N 3.33Å
355G71.9Confident87.4Confident47 Ų4747.7 Ų47.749%0.48529%0.293SS..THydrogen-bonded Turntrans71.929.2-17100000112.5K352 T353K352-G355 PolarHBondContact O-N 3.21Å; T353-G355 VanDerWaalsContact C-N 3.28Å; T353-G355 PolarHBondContact O-N 2.96Å
356G81.2Confident87.4Confident13 Ų1345.7 Ų45.713%0.13428%0.282CS..  trans-71.3132.6178.300000112Y351 S354 I358Y351-G356 PolarHBondContact O-N 3.11Å; S354-G356 VanDerWaalsContact C-N 3.33Å; G356-I358 PolarHBondContact O-N 2.66Å; G356-I358 VanDerWaalsContact O-N 3.17Å
357D80.9Confident87.4Confident95 Ų9544 Ų4451%0.50827%0.266SS..  trans-60.6114.8175.8172.624.2000111.5Y351 A359 R360Y351-D357 PolarHBondContact OH-N 2.79Å; Y351-D357 PolarHBondContact OH-O 3.07Å; D357-A359 VanDerWaalsContact C-N 3.26Å; D357-A359 PolarHBondContact O-N 3.15Å; D357-A359 WeakPolarHBondContact OD1-CA 3.48Å; D357-A359 WeakPolarHBondContact OD1-CB 3.29Å; D357-A359 PolarHBondContact OD1-N 2.85Å; D357-R360 HydrophobicContact CB-CB 4.22Å; D357-R360 WeakPolarHBondContact O-CB 3.1Å; D357-R360 PolarHBondContact O-N 2.83Å; D357-R360 VanDerWaalsContact O-N 3.13Å; D357-R360 PolarHBondContact OD2-N 3.2Å; D357-R360 VanDerWaalsContact OD2-N 3.15Å
358I86.9Confident87.2Confident8 Ų848.5 Ų48.54%0.04128%0.279CS..THydrogen-bonded Turntrans-71.4-22.2179.2-56.6-53000112.3Y351 K352 G356 R360 L382 V383 L398 E401 V402Y351-I358 HydrophobicContact CD1-CD1 4.22Å; Y351-I358 HydrophobicContact CE1-CD1 4.32Å; K352-I358 HydrophobicContact CB-CD1 4.49Å; G356-I358 PolarHBondContact O-N 2.66Å; G356-I358 VanDerWaalsContact O-N 3.17Å; I358-R360 VanDerWaalsContact C-N 3.3Å; I358-L382 HydrophobicContact CD1-CD1 4.31Å; I358-V383 HydrophobicContact CG2-CG2 3.99Å; I358-L398 HydrophobicContact CD1-CD2 3.86Å; I358-L398 HydrophobicContact CG1-CD2 4.42Å; I358-L398 HydrophobicContact CG2-CB 4.15Å; I358-L398 HydrophobicContact CG2-CD2 3.68Å; I358-L398 HydrophobicContact CG2-CG 4.48Å; I358-E401 HydrophobicContact CG1-CB 4.31Å; I358-E401 HydrophobicContact CG1-CG 4.18Å; I358-V402 HydrophobicContact CB-CG2 3.93Å; I358-V402 HydrophobicContact CG2-CG2 3.65Å
359A84.8Confident87.1Confident60 Ų6048.9 Ų48.950%0.49628%0.281SS..THydrogen-bonded Turntrans-82.6-4.7172.500000113.1D357 Q361 T381D357-A359 VanDerWaalsContact C-N 3.26Å; D357-A359 PolarHBondContact O-N 3.15Å; D357-A359 WeakPolarHBondContact OD1-CA 3.48Å; D357-A359 WeakPolarHBondContact OD1-CB 3.29Å; D357-A359 PolarHBondContact OD1-N 2.85Å; A359-Q361 PolarHBondContact O-N 2.96Å; A359-T381 VanDerWaalsContact O-CG2 3.27Å; A359-T381 WeakPolarHBondContact O-CG2 3.27Å
360R91.6Very high87.1Confident55 Ų5545.9 Ų45.921%0.20827%0.267CS..PPolyproline II helixtrans-54.9130.5177.7-179.1179.3170.6149.3-6.9110.9D330 F333 Y351 D357 I358 E366 T381D330-R360 IonicContact OD1-CZ 3.14Å; D330-R360 VanDerWaalsContact OD1-CZ 3.27Å; D330-R360 IonicContact OD1-NH1 3.54Å; D330-R360 PolarHBondContact OD1-NH1 3.04Å; D330-R360 IonicContact OD1-NH2 2.71Å; D330-R360 PolarHBondContact OD1-NH2 3.31Å; F333-R360 HydrophobicContact CD1-CG 4.28Å; F333-R360 HydrophobicContact CD2-CB 4.36Å; F333-R360 HydrophobicContact CD2-CG 4.26Å; F333-R360 HydrophobicContact CE1-CG 3.85Å; F333-R360 HydrophobicContact CE2-CB 3.84Å; F333-R360 HydrophobicContact CE2-CG 3.84Å; F333-R360 HydrophobicContact CG-CG 4.46Å; F333-R360 HydrophobicContact CZ-CB 4.04Å; F333-R360 HydrophobicContact CZ-CG 3.63Å; F333-R360 WeakPolarHBondContact CZ-O 3.42Å; Y351-R360 WeakPolarHBondContact OH-CD 3.3Å; D357-R360 HydrophobicContact CB-CB 4.22Å; D357-R360 WeakPolarHBondContact O-CB 3.1Å; D357-R360 PolarHBondContact O-N 2.83Å; D357-R360 VanDerWaalsContact O-N 3.13Å; D357-R360 PolarHBondContact OD2-N 3.2Å; D357-R360 VanDerWaalsContact OD2-N 3.15Å; I358-R360 VanDerWaalsContact C-N 3.3Å; R360-E366 IonicContact CZ-OE1 2.59Å; R360-E366 IonicContact NE-OE1 2.76Å; R360-E366 IonicContact NH2-OE1 3.83Å; R360-E366 PolarHBondContact NH2-OE1 3.07Å; R360-T381 WeakPolarHBondContact O-CA 3.46Å; R360-T381 WeakPolarHBondContact O-CB 3.2Å; R360-T381 WeakPolarHBondContact O-CG2 3.41Å
361Q93.9Very high87.1Confident120 Ų12047.6 Ų47.656%0.56127%0.271SS*.PPolyproline II helixtrans-95.4142.3177.7-64.6-178.3-0.100110.7A359 G379 T381A359-Q361 PolarHBondContact O-N 2.96Å; Q361-G379 WeakPolarHBondContact CG-O 3.46Å; Q361-T381 HydrophobicContact CG-CG2 3.75Å
362L94.1Very high87.1Confident1 Ų151.8 Ų51.81%0.00529%0.287CS..PPolyproline II helixtrans-66.3127.4169.5-82.4166000110.8F333 L334 C337 E366 V367 L370 F376 G379 F380 L385F333-L362 HydrophobicContact CD1-CD2 4.41Å; F333-L362 HydrophobicContact CE1-CD2 3.7Å; F333-L362 HydrophobicContact CE1-CG 3.95Å; F333-L362 HydrophobicContact CZ-CD2 4.32Å; F333-L362 HydrophobicContact CZ-CG 4.11Å; L334-L362 HydrophobicContact CD2-CD2 3.58Å; C337-L362 HydrophobicContact CB-CD1 4.49Å; L362-E366 HydrophobicContact CD2-CB 3.98Å; L362-V367 HydrophobicContact CB-CG2 4.06Å; L362-L370 HydrophobicContact CD1-CD1 4.21Å; L362-L370 HydrophobicContact CD2-CD1 3.68Å; L362-F376 HydrophobicContact CD1-CB 4.21Å; L362-F376 HydrophobicContact CD1-CD1 3.88Å; L362-F376 HydrophobicContact CD1-CG 4.37Å; L362-G379 PolarHBondContact O-N 2.85Å; L362-F380 HydrophobicContact CD1-CB 4.2Å; L362-F380 PolarHBondContact N-O 2.67Å; L362-L385 HydrophobicContact CD1-CD1 4.35Å
363T93Very high86.9Confident70 Ų7055 Ų5543%0.42931%0.313SS..PPolyproline II helixtrans-88.8154.1174.864.90000112D365 E366 V367T363-D365 PolarHBondContact O-N 2.89Å; T363-E366 WeakPolarHBondContact CB-OE2 3.44Å; T363-E366 WeakPolarHBondContact CG2-OE2 3.41Å; T363-E366 PolarHBondContact N-OE2 2.9Å; T363-E366 WeakPolarHBondContact O-CA 3.29Å; T363-E366 WeakPolarHBondContact O-CB 3.45Å; T363-E366 PolarHBondContact O-N 3.13Å; T363-E366 VanDerWaalsContact OG1-CD 3.31Å; T363-E366 WeakPolarHBondContact OG1-CG 3.31Å; T363-E366 PolarHBondContact OG1-OE2 3.12Å; T363-V367 WeakPolarHBondContact O-CG2 3.15Å; T363-V367 PolarHBondContact O-N 3.2Å
364S90.1Very high87.3Confident58 Ų5855.9 Ų55.941%0.40632%0.321SS..Hα-helixtrans-51-29.3176.5-76.70000115.4R368 D378S364-R368 WeakPolarHBondContact O-CG 3.38Å; S364-R368 PolarHBondContact O-N 2.89Å; S364-R368 PolarHBondContact O-NE 3.48Å; S364-D378 VanDerWaalsContact CA-OD1 3.29Å; S364-D378 WeakPolarHBondContact CA-OD1 3.49Å; S364-D378 WeakPolarHBondContact CB-OD1 3.2Å; S364-D378 PolarHBondContact N-OD1 2.84Å; S364-D378 PolarHBondContact OG-OD1 2.72Å
365D89.9Confident87.8Confident61 Ų6154.4 Ų54.433%0.32631%0.311SS..Hα-helixtrans-77.9-34.5175.7-84.216.2000111.6I322 T363 R368 L369I322-D365 HydrophobicContact CD1-CB 3.86Å; I322-D365 HydrophobicContact CG1-CB 4.15Å; I322-D365 HydrophobicContact CG2-CB 4.33Å; T363-D365 PolarHBondContact O-N 2.89Å; D365-R368 IonicContact OD1-CZ 2.64Å; D365-R368 VanDerWaalsContact OD1-CZ 3.31Å; D365-R368 IonicContact OD1-NH1 3.94Å; D365-R368 PolarHBondContact OD1-NH1 3.05Å; D365-R368 IonicContact OD1-NH2 3.47Å; D365-R368 PolarHBondContact OD1-NH2 3.32Å; D365-L369 PolarHBondContact O-N 3.38Å; D365-L369 VanDerWaalsContact O-N 3.17Å
366E92.6Very high88.9Confident12 Ų1252.4 Ų52.46%0.05629%0.289CS..Hα-helixtrans-72.8-40174.1-69.2165.9127.700112.2L334 R360 L362 T363 R368 L369 L370L334-E366 HydrophobicContact CD1-CB 4.3Å; L334-E366 HydrophobicContact CD1-CG 4.28Å; L334-E366 HydrophobicContact CD2-CB 3.79Å; L334-E366 HydrophobicContact CD2-CG 3.91Å; R360-E366 IonicContact CZ-OE1 2.59Å; R360-E366 IonicContact NE-OE1 2.76Å; R360-E366 IonicContact NH2-OE1 3.83Å; R360-E366 PolarHBondContact NH2-OE1 3.07Å; L362-E366 HydrophobicContact CD2-CB 3.98Å; T363-E366 WeakPolarHBondContact CB-OE2 3.44Å; T363-E366 WeakPolarHBondContact CG2-OE2 3.41Å; T363-E366 PolarHBondContact N-OE2 2.9Å; T363-E366 WeakPolarHBondContact O-CA 3.29Å; T363-E366 WeakPolarHBondContact O-CB 3.45Å; T363-E366 PolarHBondContact O-N 3.13Å; T363-E366 VanDerWaalsContact OG1-CD 3.31Å; T363-E366 WeakPolarHBondContact OG1-CG 3.31Å; T363-E366 PolarHBondContact OG1-OE2 3.12Å; E366-R368 VanDerWaalsContact C-N 3.29Å; E366-R368 PolarHBondContact O-N 3.39Å; E366-L369 WeakPolarHBondContact O-CB 3.15Å; E366-L369 PolarHBondContact O-N 2.93Å; E366-L370 WeakPolarHBondContact O-CG 3.5Å; E366-L370 PolarHBondContact O-N 2.88Å
367V91.7Very high89.4Confident26 Ų2656.2 Ų56.216%0.15831%0.306CS..Hα-helixtrans-60.5-40.3174.9177.40000110.8L362 T363 L369 L370 N371 F376L362-V367 HydrophobicContact CB-CG2 4.06Å; T363-V367 WeakPolarHBondContact O-CG2 3.15Å; T363-V367 PolarHBondContact O-N 3.2Å; V367-L369 VanDerWaalsContact C-N 3.35Å; V367-L370 PolarHBondContact O-N 2.88Å; V367-N371 PolarHBondContact O-N 3.41Å; V367-F376 HydrophobicContact CG1-CB 4.42Å
368R87.8Confident89.9Confident111 Ų11155.7 Ų55.742%0.41930%0.304SS..Hα-helixtrans-65-34.6172-75.8-174.5-122.9115.810.2113.1S364 D365 E366S364-R368 WeakPolarHBondContact O-CG 3.38Å; S364-R368 PolarHBondContact O-N 2.89Å; S364-R368 PolarHBondContact O-NE 3.48Å; D365-R368 IonicContact OD1-CZ 2.64Å; D365-R368 VanDerWaalsContact OD1-CZ 3.31Å; D365-R368 IonicContact OD1-NH1 3.94Å; D365-R368 PolarHBondContact OD1-NH1 3.05Å; D365-R368 IonicContact OD1-NH2 3.47Å; D365-R368 PolarHBondContact OD1-NH2 3.32Å; E366-R368 VanDerWaalsContact C-N 3.29Å; E366-R368 PolarHBondContact O-N 3.39Å
369L88.8Confident90.1Very high8 Ų856.3 Ų56.34%0.04231%0.311CS..Hα-helixtrans-73.4-37.3177.8-168.3156.3000112.1I298 I322 K323 M326 W331 L334 D365 E366 V367 N371I298-L369 HydrophobicContact CG2-CD2 4.5Å; I322-L369 HydrophobicContact CB-CD1 4.39Å; I322-L369 HydrophobicContact CG2-CD1 3.67Å; K323-L369 HydrophobicContact CG-CD1 3.66Å; K323-L369 HydrophobicContact CG-CG 4.43Å; M326-L369 HydrophobicContact SD-CD1 3.53Å; M326-L369 VanDerWaalsContact SD-CD1 3.53Å; W331-L369 HydrophobicContact CH2-CD1 4.39Å; W331-L369 HydrophobicContact CH2-CD2 4.22Å; W331-L369 HydrophobicContact CZ3-CD2 4.08Å; L334-L369 HydrophobicContact CD1-CD2 3.83Å; D365-L369 PolarHBondContact O-N 3.38Å; D365-L369 VanDerWaalsContact O-N 3.17Å; E366-L369 WeakPolarHBondContact O-CB 3.15Å; E366-L369 PolarHBondContact O-N 2.93Å; V367-L369 VanDerWaalsContact C-N 3.35Å; L369-N371 VanDerWaalsContact C-N 3.33Å
370L89.3Confident90.5Very high24 Ų2455.3 Ų55.313%0.12630%0.296CS..Hα-helixtrans-70.4-26.2173.6-72173.1000113.2L334 C337 V338 L362 E366 V367 R372 F376L334-L370 HydrophobicContact CB-CD2 4.14Å; L334-L370 HydrophobicContact CD1-CD2 4.46Å; L334-L370 HydrophobicContact CD1-CG 4.39Å; L334-L370 HydrophobicContact CD2-CD1 4.19Å; L334-L370 HydrophobicContact CD2-CG 4.45Å; C337-L370 HydrophobicContact CB-CD1 4.42Å; V338-L370 HydrophobicContact CG2-CD2 3.66Å; L362-L370 HydrophobicContact CD1-CD1 4.21Å; L362-L370 HydrophobicContact CD2-CD1 3.68Å; E366-L370 WeakPolarHBondContact O-CG 3.5Å; E366-L370 PolarHBondContact O-N 2.88Å; V367-L370 PolarHBondContact O-N 2.88Å; L370-R372 VanDerWaalsContact C-N 3.27Å; L370-R372 PolarHBondContact O-N 2.85Å; L370-R372 VanDerWaalsContact O-N 3.09Å; L370-F376 HydrophobicContact CB-CD2 3.59Å; L370-F376 HydrophobicContact CB-CE2 3.89Å; L370-F376 HydrophobicContact CB-CG 4.32Å; L370-F376 HydrophobicContact CD1-CB 4.25Å; L370-F376 HydrophobicContact CD1-CD1 3.96Å; L370-F376 HydrophobicContact CD1-CD2 3.69Å; L370-F376 HydrophobicContact CD1-CE1 4.22Å; L370-F376 HydrophobicContact CD1-CE2 3.96Å; L370-F376 HydrophobicContact CD1-CG 3.69Å; L370-F376 HydrophobicContact CD1-CZ 4.22Å; L370-F376 HydrophobicContact CD2-CE2 4.16Å; L370-F376 HydrophobicContact CD2-CZ 4.47Å; L370-F376 HydrophobicContact CG-CD2 4.16Å; L370-F376 HydrophobicContact CG-CE2 4.24Å
371N88Confident90.7Very high79 Ų7953.1 Ų53.142%0.42229%0.289SS..THydrogen-bonded Turntrans47.340.6171.3-166.331.7000115.3V367 L369V367-N371 PolarHBondContact O-N 3.41Å; L369-N371 VanDerWaalsContact C-N 3.33Å
372R88.8Confident90.7Very high91 Ų9147.4 Ų47.434%0.34326%0.262SS..  trans-137.174-177.7-167.8-179.6-175.9174.90111.1E342 L370 S374 A375 F376E342-R372 IonicContact OE1-CZ 3.31Å; E342-R372 IonicContact OE1-NH1 3.24Å; E342-R372 PolarHBondContact OE1-NH1 3.18Å; E342-R372 IonicContact OE1-NH2 2.66Å; E342-R372 PolarHBondContact OE1-NH2 3.16Å; L370-R372 VanDerWaalsContact C-N 3.27Å; L370-R372 PolarHBondContact O-N 2.85Å; L370-R372 VanDerWaalsContact O-N 3.09Å; R372-S374 PolarHBondContact O-N 2.92Å; R372-A375 HydrophobicContact CG-CB 4.06Å; R372-A375 PolarHBondContact O-N 3.42Å; R372-F376 HydrophobicContact CB-CD2 3.83Å; R372-F376 HydrophobicContact CB-CE2 3.92Å; R372-F376 PolarHBondContact O-N 3.24Å; R372-F376 VanDerWaalsContact O-N 3.14Å
373P81.3Confident90.5Very high114 Ų11448.6 Ų48.674%0.7427%0.27SS*.THydrogen-bonded Turntrans-67.6-7.2-171.327.6-36.4000114.9A375P373-A375 VanDerWaalsContact C-N 3.33Å
374S88.3Confident90.5Very high88 Ų8850.2 Ų50.262%0.61527%0.272SS*.THydrogen-bonded Turntrans-75.7-22.2168.6530000113.2R372 R388R372-S374 PolarHBondContact O-N 2.92Å; S374-R388 PolarHBondContact O-NH2 3.14Å
375A88.2Confident90.7Very high1 Ų147.4 Ų47.41%0.00825%0.253CS..THydrogen-bonded Turntrans-113.9-41.1-172.100000113.8V341 R372 P373 L385 F389V341-A375 HydrophobicContact CG1-CB 4.26Å; V341-A375 HydrophobicContact CG2-CB 3.99Å; R372-A375 HydrophobicContact CG-CB 4.06Å; R372-A375 PolarHBondContact O-N 3.42Å; P373-A375 VanDerWaalsContact C-N 3.33Å; A375-L385 WeakPolarHBondContact O-CD2 3.39Å; A375-F389 HydrophobicContact CB-CE2 4.12Å; A375-F389 HydrophobicContact CB-CZ 3.73Å
376F94.9Very high90.8Very high5 Ų544.5 Ų44.52%0.02224%0.237CC..  trans-115143.1-171.7-50.3-62.1000112C337 V338 V341 L362 V367 L370 R372 L385C337-F376 HydrophobicContact CB-CD1 4.49Å; C337-F376 HydrophobicContact CB-CE1 3.9Å; C337-F376 WeakPolarHBondContact O-CE1 3.31Å; V338-F376 HydrophobicContact CG2-CZ 4.14Å; V341-F376 HydrophobicContact CG2-CE1 3.62Å; V341-F376 HydrophobicContact CG2-CZ 3.7Å; L362-F376 HydrophobicContact CD1-CB 4.21Å; L362-F376 HydrophobicContact CD1-CD1 3.88Å; L362-F376 HydrophobicContact CD1-CG 4.37Å; V367-F376 HydrophobicContact CG1-CB 4.42Å; L370-F376 HydrophobicContact CB-CD2 3.59Å; L370-F376 HydrophobicContact CB-CE2 3.89Å; L370-F376 HydrophobicContact CB-CG 4.32Å; L370-F376 HydrophobicContact CD1-CB 4.25Å; L370-F376 HydrophobicContact CD1-CD1 3.96Å; L370-F376 HydrophobicContact CD1-CD2 3.69Å; L370-F376 HydrophobicContact CD1-CE1 4.22Å; L370-F376 HydrophobicContact CD1-CE2 3.96Å; L370-F376 HydrophobicContact CD1-CG 3.69Å; L370-F376 HydrophobicContact CD1-CZ 4.22Å; L370-F376 HydrophobicContact CD2-CE2 4.16Å; L370-F376 HydrophobicContact CD2-CZ 4.47Å; L370-F376 HydrophobicContact CG-CD2 4.16Å; L370-F376 HydrophobicContact CG-CE2 4.24Å; R372-F376 HydrophobicContact CB-CD2 3.83Å; R372-F376 HydrophobicContact CB-CE2 3.92Å; R372-F376 PolarHBondContact O-N 3.24Å; R372-F376 VanDerWaalsContact O-N 3.14Å; F376-L385 HydrophobicContact CD1-CD1 4.14Å; F376-L385 HydrophobicContact CD1-CD2 3.9Å; F376-L385 HydrophobicContact CE1-CD1 4.03Å; F376-L385 HydrophobicContact CE1-CD2 4.14Å
377D93.5Very high90.8Very high94 Ų9448.9 Ų48.950%0.50326%0.26SS..  trans-146.7165.1176.9-151.3-15.1000109.1F380D377-F380 HydrophobicContact CB-CD1 4.04Å; D377-F380 HydrophobicContact CB-CD2 4.09Å; D377-F380 HydrophobicContact CB-CE1 3.72Å; D377-F380 HydrophobicContact CB-CE2 3.76Å; D377-F380 HydrophobicContact CB-CG 4.22Å; D377-F380 HydrophobicContact CB-CZ 3.57Å; D377-F380 PolarHBondContact O-N 3.45Å
378D91.6Very high90.8Very high84 Ų8453.7 Ų53.745%0.44928%0.275SS..THydrogen-bonded Turntrans-65140.7178.4-162.996.7000110.3S364 F380S364-D378 VanDerWaalsContact CA-OD1 3.29Å; S364-D378 WeakPolarHBondContact CA-OD1 3.49Å; S364-D378 WeakPolarHBondContact CB-OD1 3.2Å; S364-D378 PolarHBondContact N-OD1 2.84Å; S364-D378 PolarHBondContact OG-OD1 2.72Å; D378-F380 VanDerWaalsContact C-N 3.31Å; D378-F380 PolarHBondContact O-N 3.1Å
379G89Confident91.1Very high20 Ų2051.5 Ų51.521%0.20627%0.268CS..THydrogen-bonded Turntrans83.4-9.4-177.700000115.7Q361 L362Q361-G379 WeakPolarHBondContact CG-O 3.46Å; L362-G379 PolarHBondContact O-N 2.85Å
380F95Very high91.2Very high39 Ų3959.3 Ų59.317%0.17131%0.305CS..  trans-71.5132.4-177.7-78.714.7000112.4L362 D377 D378 L385L362-F380 HydrophobicContact CD1-CB 4.2Å; L362-F380 PolarHBondContact N-O 2.67Å; D377-F380 HydrophobicContact CB-CD1 4.04Å; D377-F380 HydrophobicContact CB-CD2 4.09Å; D377-F380 HydrophobicContact CB-CE1 3.72Å; D377-F380 HydrophobicContact CB-CE2 3.76Å; D377-F380 HydrophobicContact CB-CG 4.22Å; D377-F380 HydrophobicContact CB-CZ 3.57Å; D377-F380 PolarHBondContact O-N 3.45Å; D378-F380 VanDerWaalsContact C-N 3.31Å; D378-F380 PolarHBondContact O-N 3.1Å; F380-L385 HydrophobicContact CD2-CD2 3.98Å
381T94.6Very high91.3Very high10 Ų1061.5 Ų61.56%0.06131%0.311CS..  trans-102.8170.2173.175.20000111.8A359 R360 Q361 V383 H384 L385A359-T381 VanDerWaalsContact O-CG2 3.27Å; A359-T381 WeakPolarHBondContact O-CG2 3.27Å; R360-T381 WeakPolarHBondContact O-CA 3.46Å; R360-T381 WeakPolarHBondContact O-CB 3.2Å; R360-T381 WeakPolarHBondContact O-CG2 3.41Å; Q361-T381 HydrophobicContact CG-CG2 3.75Å; T381-V383 PolarHBondContact O-N 2.71Å; T381-V383 PolarHBondContact OG1-N 2.88Å; T381-H384 WeakPolarHBondContact O-CB 3.45Å; T381-H384 PolarHBondContact O-N 3.18Å; T381-H384 VanDerWaalsContact O-N 3.13Å; T381-H384 PolarHBondContact OG1-N 2.79Å; T381-H384 PolarHBondContact OG1-ND1 3.36Å; T381-L385 WeakPolarHBondContact O-CG 3.18Å; T381-L385 PolarHBondContact O-N 3.25Å
382L93.4Very high91.3Very high0 Ų065.5 Ų65.50%033%0.328CS..Hα-helixtrans-57.6-36.5174.4-66.5175.7000112.6F333 A336 C337 V340 Y351 I358 L385 A386 L398F333-L382 HydrophobicContact CE2-CG 4.18Å; A336-L382 HydrophobicContact CB-CD1 4.06Å; A336-L382 HydrophobicContact CB-CD2 3.78Å; C337-L382 HydrophobicContact CB-CD2 4.45Å; V340-L382 HydrophobicContact CG2-CD2 4.13Å; Y351-L382 HydrophobicContact CD1-CD1 3.53Å; Y351-L382 HydrophobicContact CE1-CD1 3.87Å; I358-L382 HydrophobicContact CD1-CD1 4.31Å; L382-L385 PolarHBondContact O-N 3.41Å; L382-A386 WeakPolarHBondContact O-CB 3.44Å; L382-A386 PolarHBondContact O-N 3.03Å; L382-L398 HydrophobicContact CB-CD1 4.06Å; L382-L398 HydrophobicContact CB-CD2 4.14Å; L382-L398 HydrophobicContact CD1-CD2 4.25Å
383V91.4Very high91.2Very high26 Ų2665.2 Ų65.216%0.15833%0.333CS..Hα-helixtrans-66.8-42.7175.9-178.20000111.3I358 T381 L385 A386 I387 L398 L399I358-V383 HydrophobicContact CG2-CG2 3.99Å; T381-V383 PolarHBondContact O-N 2.71Å; T381-V383 PolarHBondContact OG1-N 2.88Å; V383-L385 VanDerWaalsContact C-N 3.34Å; V383-L385 PolarHBondContact O-N 3.38Å; V383-A386 PolarHBondContact O-N 3.36Å; V383-I387 HydrophobicContact CG1-CD1 4.07Å; V383-I387 WeakPolarHBondContact O-CG1 3.48Å; V383-I387 PolarHBondContact O-N 3.07Å; V383-L398 HydrophobicContact CG2-CB 4.09Å; V383-L399 HydrophobicContact CG1-CD2 4.26Å
384H92.5Very high91.6Very high103 Ų10359.8 Ų59.848%0.47730%0.298SS..Hα-helixtrans-61.4-42.4175.3-72.693000111.8T381 R388T381-H384 WeakPolarHBondContact O-CB 3.45Å; T381-H384 PolarHBondContact O-N 3.18Å; T381-H384 VanDerWaalsContact O-N 3.13Å; T381-H384 PolarHBondContact OG1-N 2.79Å; T381-H384 PolarHBondContact OG1-ND1 3.36Å; H384-R388 VanDerWaalsContact O-CB 3.25Å; H384-R388 WeakPolarHBondContact O-CB 3.45Å; H384-R388 PolarHBondContact O-N 3Å
385L93.6Very high91.6Very high0 Ų057.7 Ų57.70%028%0.279CS..Hα-helixtrans-63.7-42.6174.6-67.8170.8000111.4C337 V340 L362 A375 F376 F380 T381 L382 V383 I387 R388 F389C337-L385 HydrophobicContact CB-CD1 3.83Å; V340-L385 HydrophobicContact CB-CB 4.17Å; V340-L385 VanDerWaalsContact CG1-C 3.43Å; V340-L385 HydrophobicContact CG1-CB 3.62Å; L362-L385 HydrophobicContact CD1-CD1 4.35Å; A375-L385 WeakPolarHBondContact O-CD2 3.39Å; F376-L385 HydrophobicContact CD1-CD1 4.14Å; F376-L385 HydrophobicContact CD1-CD2 3.9Å; F376-L385 HydrophobicContact CE1-CD1 4.03Å; F376-L385 HydrophobicContact CE1-CD2 4.14Å; F380-L385 HydrophobicContact CD2-CD2 3.98Å; T381-L385 WeakPolarHBondContact O-CG 3.18Å; T381-L385 PolarHBondContact O-N 3.25Å; L382-L385 PolarHBondContact O-N 3.41Å; V383-L385 VanDerWaalsContact C-N 3.34Å; V383-L385 PolarHBondContact O-N 3.38Å; L385-I387 PolarHBondContact O-N 3.47Å; L385-R388 PolarHBondContact O-N 3.23Å; L385-F389 HydrophobicContact CD2-CE2 4.32Å; L385-F389 WeakPolarHBondContact O-CB 3.39Å; L385-F389 WeakPolarHBondContact O-CD2 3.45Å; L385-F389 PolarHBondContact O-N 3.01Å
386A93.6Very high91.4Very high0 Ų060.1 Ų60.10%030%0.3CS..Hα-helixtrans-65.8-38.5-178.800000112V340 L382 V383 Q390 R391 L395 L398V340-A386 HydrophobicContact CG1-CB 4.04Å; L382-A386 WeakPolarHBondContact O-CB 3.44Å; L382-A386 PolarHBondContact O-N 3.03Å; V383-A386 PolarHBondContact O-N 3.36Å; A386-Q390 CarbonylContact O-C 3.46Å; A386-Q390 WeakPolarHBondContact O-CA 3.47Å; A386-Q390 PolarHBondContact O-N 3.08Å; A386-R391 HydrophobicContact CB-CB 4.27Å; A386-R391 PolarHBondContact O-N 3.38Å; A386-L395 HydrophobicContact CB-CB 4.1Å; A386-L398 HydrophobicContact CB-CD1 4.1Å
387I90.8Very high90.8Very high104 Ų10461.9 Ų61.953%0.53331%0.31SS..Hα-helixtrans-63-51.9170.3-65.5165.1000110.3V383 L385 F389 Q390 L395V383-I387 HydrophobicContact CG1-CD1 4.07Å; V383-I387 WeakPolarHBondContact O-CG1 3.48Å; V383-I387 PolarHBondContact O-N 3.07Å; L385-I387 PolarHBondContact O-N 3.47Å; I387-F389 VanDerWaalsContact C-N 3.29Å; I387-F389 PolarHBondContact O-N 3.12Å; I387-Q390 PolarHBondContact O-N 2.94Å; I387-Q390 VanDerWaalsContact O-N 3.16Å; I387-L395 HydrophobicContact CG1-CD1 3.51Å
388R93.1Very high90.3Very high127 Ų12757.4 Ų57.448%0.47929%0.287SS..Hα-helixtrans-59.9-36.1-176.5-177.5178177120-9.1113.1S374 H384 L385S374-R388 PolarHBondContact O-NH2 3.14Å; H384-R388 VanDerWaalsContact O-CB 3.25Å; H384-R388 WeakPolarHBondContact O-CB 3.45Å; H384-R388 PolarHBondContact O-N 3Å; L385-R388 PolarHBondContact O-N 3.23Å
389F93.7Very high89.8Confident64 Ų6457.2 Ų57.228%0.28129%0.285SS..THydrogen-bonded Turntrans-102.912.9179.8-70.7-84.5000113.8V341 A375 L385 I387 R391V341-F389 HydrophobicContact CG1-CD1 4.31Å; V341-F389 HydrophobicContact CG1-CE1 3.87Å; V341-F389 HydrophobicContact CG1-CE2 4.44Å; V341-F389 HydrophobicContact CG1-CZ 3.95Å; V341-F389 HydrophobicContact CG2-CD2 4.03Å; V341-F389 HydrophobicContact CG2-CE2 3.73Å; V341-F389 HydrophobicContact CG2-CZ 4.04Å; A375-F389 HydrophobicContact CB-CE2 4.12Å; A375-F389 HydrophobicContact CB-CZ 3.73Å; L385-F389 HydrophobicContact CD2-CE2 4.32Å; L385-F389 WeakPolarHBondContact O-CB 3.39Å; L385-F389 WeakPolarHBondContact O-CD2 3.45Å; L385-F389 PolarHBondContact O-N 3.01Å; I387-F389 VanDerWaalsContact C-N 3.29Å; I387-F389 PolarHBondContact O-N 3.12Å; F389-R391 VanDerWaalsContact C-N 3.25Å; F389-R391 HydrophobicContact CB-CG 4.26Å; F389-R391 PolarHBondContact O-N 3.23Å
390Q91.1Very high89.1Confident173 Ų17359.8 Ų59.881%0.80830%0.297SS*.THydrogen-bonded Turntrans5730.2173.3-55.6-177.7-100115A386 I387 Q392A386-Q390 CarbonylContact O-C 3.46Å; A386-Q390 WeakPolarHBondContact O-CA 3.47Å; A386-Q390 PolarHBondContact O-N 3.08Å; I387-Q390 PolarHBondContact O-N 2.94Å; I387-Q390 VanDerWaalsContact O-N 3.16Å; Q390-Q392 PolarHBondContact O-N 3.07Å
391R91.3Very high87.9Confident69 Ų6959.6 Ų59.626%0.2630%0.297SS..  trans-80.773.4178.9-55.5-59.2-175.3-175.1-3111.2V340 V341 E342 G343 A386 F389 D393 M394 L395V340-R391 HydrophobicContact CG1-CG 4.11Å; V340-R391 WeakPolarHBondContact O-CG 3.36Å; V340-R391 PolarHBondContact O-NE 2.84Å; V341-R391 PolarHBondContact O-NH2 3.4Å; E342-R391 PolarHBondContact O-NH2 3.48Å; E342-R391 VanDerWaalsContact O-NH2 3.07Å; G343-R391 VanDerWaalsContact CA-CZ 3.41Å; G343-R391 VanDerWaalsContact N-NH2 3.18Å; A386-R391 HydrophobicContact CB-CB 4.27Å; A386-R391 PolarHBondContact O-N 3.38Å; F389-R391 VanDerWaalsContact C-N 3.25Å; F389-R391 HydrophobicContact CB-CG 4.26Å; F389-R391 PolarHBondContact O-N 3.23Å; R391-D393 VanDerWaalsContact C-N 3.26Å; R391-D393 WeakPolarHBondContact CA-OD1 3.21Å; R391-D393 PolarHBondContact O-N 3.06Å; R391-M394 HydrophobicContact CB-CB 3.92Å; R391-M394 HydrophobicContact CB-CG 3.96Å; R391-M394 HydrophobicContact CB-SD 3.78Å; R391-M394 HydrophobicContact CG-CE 4.46Å; R391-M394 HydrophobicContact CG-SD 3.81Å; R391-M394 PolarHBondContact O-N 2.82Å; R391-L395 WeakPolarHBondContact O-CB 3.44Å; R391-L395 PolarHBondContact O-N 3.26Å
392Q88.3Confident86.6Confident163 Ų16362 Ų6276%0.76231%0.311SS*.Hα-helixtrans-62.7-33.1-177.4-70-166.4-17.300113.4Q390 A396Q390-Q392 PolarHBondContact O-N 3.07Å; Q392-A396 PolarHBondContact O-N 2.97Å
393D86.1Confident85.3Confident86 Ų8666 Ų6646%0.4634%0.339SS..Hα-helixtrans-56.9-55.3171.257-33000112R391 A396 V397R391-D393 VanDerWaalsContact C-N 3.26Å; R391-D393 WeakPolarHBondContact CA-OD1 3.21Å; R391-D393 PolarHBondContact O-N 3.06Å; D393-A396 PolarHBondContact O-N 3.31Å; D393-V397 PolarHBondContact O-N 2.76Å
394M90.5Very high84Confident0 Ų067.3 Ų67.30%034%0.343CS..Hα-helixtrans-67.4-40178.2-58.2177.8-175.700111.2V340 G343 L345 V348 R391 A396 V397 L398V340-M394 HydrophobicContact CB-SD 4.19Å; V340-M394 HydrophobicContact CG1-SD 4.34Å; V340-M394 HydrophobicContact CG2-SD 3.96Å; G343-M394 VanDerWaalsContact C-CE 3.45Å; L345-M394 HydrophobicContact CB-CE 4.25Å; L345-M394 HydrophobicContact CD1-CG 3.89Å; V348-M394 HydrophobicContact CG2-SD 4.01Å; R391-M394 HydrophobicContact CB-CB 3.92Å; R391-M394 HydrophobicContact CB-CG 3.96Å; R391-M394 HydrophobicContact CB-SD 3.78Å; R391-M394 HydrophobicContact CG-CE 4.46Å; R391-M394 HydrophobicContact CG-SD 3.81Å; R391-M394 PolarHBondContact O-N 2.82Å; M394-A396 VanDerWaalsContact C-N 3.3Å; M394-A396 PolarHBondContact O-N 3.32Å; M394-V397 PolarHBondContact O-N 3.06Å; M394-L398 HydrophobicContact CB-CD1 4.45Å; M394-L398 WeakPolarHBondContact O-CB 3.26Å; M394-L398 WeakPolarHBondContact O-CD1 3.48Å; M394-L398 WeakPolarHBondContact O-CG 3.42Å; M394-L398 PolarHBondContact O-N 3.46Å
395L87.6Confident82.6Confident43 Ų4367.4 Ų67.423%0.22534%0.344CS..Hα-helixtrans-60.2-39.3-180-173.3155.6000111.5A386 I387 R391 L398 L399A386-L395 HydrophobicContact CB-CB 4.1Å; I387-L395 HydrophobicContact CG1-CD1 3.51Å; R391-L395 WeakPolarHBondContact O-CB 3.44Å; R391-L395 PolarHBondContact O-N 3.26Å; L395-L398 PolarHBondContact O-N 3.44Å; L395-L399 HydrophobicContact CD2-CD1 3.51Å; L395-L399 HydrophobicContact CD2-CG 4.01Å; L395-L399 HydrophobicContact CG-CD1 4.44Å; L395-L399 WeakPolarHBondContact O-CB 3.39Å; L395-L399 WeakPolarHBondContact O-CG 3.49Å; L395-L399 PolarHBondContact O-N 2.63Å
396A83.6Confident81.1Confident53 Ų5371.3 Ų71.344%0.43838%0.377SS..Hα-helixtrans-60.9-52.5172.700000111.5Q392 D393 M394 L398 L399 T400Q392-A396 PolarHBondContact O-N 2.97Å; D393-A396 PolarHBondContact O-N 3.31Å; M394-A396 VanDerWaalsContact C-N 3.3Å; M394-A396 PolarHBondContact O-N 3.32Å; A396-L398 VanDerWaalsContact C-N 3.25Å; A396-L398 PolarHBondContact O-N 3.41Å; A396-L399 PolarHBondContact O-N 3.26Å; A396-T400 PolarHBondContact O-N 3.31Å; A396-T400 PolarHBondContact O-OG1 3.39Å; A396-T400 VanDerWaalsContact O-OG1 3.13Å
397V82.5Confident80.1Confident41 Ų4174 Ų7425%0.24840%0.399CS..Hα-helixtrans-59.4-34.8179.9176.10000112.7K352 D393 M394 E401K352-V397 HydrophobicContact CD-CG1 3.89Å; K352-V397 PolarHBondContact NZ-O 2.71Å; K352-V397 VanDerWaalsContact NZ-O 3.1Å; D393-V397 PolarHBondContact O-N 2.76Å; M394-V397 PolarHBondContact O-N 3.06Å; V397-E401 PolarHBondContact O-N 3.01Å
398L83.9Confident79.9Confident0 Ų070.8 Ų70.80%038%0.381CS..Hα-helixtrans-76.7-43.2177.8-67166.5000112.3V348 I358 L382 V383 A386 M394 L395 A396 E401 V402V348-L398 HydrophobicContact CG1-CD1 4.46Å; V348-L398 HydrophobicContact CG1-CD2 3.82Å; V348-L398 HydrophobicContact CG1-CG 4.28Å; I358-L398 HydrophobicContact CD1-CD2 3.86Å; I358-L398 HydrophobicContact CG1-CD2 4.42Å; I358-L398 HydrophobicContact CG2-CB 4.15Å; I358-L398 HydrophobicContact CG2-CD2 3.68Å; I358-L398 HydrophobicContact CG2-CG 4.48Å; L382-L398 HydrophobicContact CB-CD1 4.06Å; L382-L398 HydrophobicContact CB-CD2 4.14Å; L382-L398 HydrophobicContact CD1-CD2 4.25Å; V383-L398 HydrophobicContact CG2-CB 4.09Å; A386-L398 HydrophobicContact CB-CD1 4.1Å; M394-L398 HydrophobicContact CB-CD1 4.45Å; M394-L398 WeakPolarHBondContact O-CB 3.26Å; M394-L398 WeakPolarHBondContact O-CD1 3.48Å; M394-L398 WeakPolarHBondContact O-CG 3.42Å; M394-L398 PolarHBondContact O-N 3.46Å; L395-L398 PolarHBondContact O-N 3.44Å; A396-L398 VanDerWaalsContact C-N 3.25Å; A396-L398 PolarHBondContact O-N 3.41Å; L398-E401 PolarHBondContact O-N 3.3Å; L398-V402 WeakPolarHBondContact O-CG2 3.47Å; L398-V402 PolarHBondContact O-N 3.11Å
399L80.9Confident79.7Confident81 Ų8166.3 Ų66.342%0.42437%0.369SS..Hα-helixtrans-68.9-39.2178.1-73.4-172.4000112.4V383 L395 A396 E401 V402 S403V383-L399 HydrophobicContact CG1-CD2 4.26Å; L395-L399 HydrophobicContact CD2-CD1 3.51Å; L395-L399 HydrophobicContact CD2-CG 4.01Å; L395-L399 HydrophobicContact CG-CD1 4.44Å; L395-L399 WeakPolarHBondContact O-CB 3.39Å; L395-L399 WeakPolarHBondContact O-CG 3.49Å; L395-L399 PolarHBondContact O-N 2.63Å; A396-L399 PolarHBondContact O-N 3.26Å; L399-E401 PolarHBondContact O-N 3.13Å; L399-V402 PolarHBondContact O-N 2.71Å; L399-S403 PolarHBondContact O-N 2.88Å; L399-S403 PolarHBondContact O-OG 2.83Å
400T73.6Confident79.6Confident73 Ų7363.6 Ų63.645%0.44836%0.357SS..Hα-helixtrans-58.3-40.4172.4-60.50000111.1A396 Q404A396-T400 PolarHBondContact O-N 3.31Å; A396-T400 PolarHBondContact O-OG1 3.39Å; A396-T400 VanDerWaalsContact O-OG1 3.13Å; T400-Q404 WeakPolarHBondContact O-CB 3.4Å; T400-Q404 WeakPolarHBondContact O-CG 3.39Å; T400-Q404 PolarHBondContact O-N 3.37Å
401E70.5Confident79.7Confident36 Ų3655.7 Ų55.717%0.16832%0.321CS..Hα-helixtrans-66.4-46.9175.9-156.177.5145.900111.9K352 I358 V397 L398 L399 S403 Q404 Q405K352-E401 HydrophobicContact CD-CB 4.33Å; K352-E401 HydrophobicContact CD-CG 4.17Å; K352-E401 VanDerWaalsContact CE-OE1 3.23Å; K352-E401 WeakPolarHBondContact CE-OE1 3.34Å; K352-E401 WeakPolarHBondContact CE-OE2 3.47Å; K352-E401 HydrophobicContact CG-CG 4.38Å; K352-E401 VanDerWaalsContact CG-OE1 3.29Å; K352-E401 WeakPolarHBondContact CG-OE1 3.48Å; K352-E401 VanDerWaalsContact NZ-CD 3.28Å; K352-E401 IonicContact NZ-OE1 2.84Å; K352-E401 IonicContact NZ-OE2 3.24Å; K352-E401 PolarHBondContact NZ-OE2 2.8Å; I358-E401 HydrophobicContact CG1-CB 4.31Å; I358-E401 HydrophobicContact CG1-CG 4.18Å; V397-E401 PolarHBondContact O-N 3.01Å; L398-E401 PolarHBondContact O-N 3.3Å; L399-E401 PolarHBondContact O-N 3.13Å; E401-S403 VanDerWaalsContact C-N 3.28Å; E401-S403 PolarHBondContact O-N 2.96Å; E401-Q404 PolarHBondContact O-N 2.81Å; E401-Q404 VanDerWaalsContact O-N 3.11Å; E401-Q405 VanDerWaalsContact O-CB 3.3Å; E401-Q405 WeakPolarHBondContact O-CB 3.09Å; E401-Q405 PolarHBondContact O-N 3.22Å
402V67.1Low79.7Confident60 Ų6052.4 Ų52.436%0.36431%0.309SS..Hα-helixtrans-60-38.9178.8170.80000111.4I358 L398 L399 A406I358-V402 HydrophobicContact CB-CG2 3.93Å; I358-V402 HydrophobicContact CG2-CG2 3.65Å; L398-V402 WeakPolarHBondContact O-CG2 3.47Å; L398-V402 PolarHBondContact O-N 3.11Å; L399-V402 PolarHBondContact O-N 2.71Å; V402-A406 WeakPolarHBondContact O-CB 3.47Å; V402-A406 PolarHBondContact O-N 3.02Å
403S65.9Low79.7Confident84 Ų8446.1 Ų46.159%0.58728%0.279SS*.Hα-helixtrans-70.6-33.3174.8-66.60000113.8L399 E401 A407L399-S403 PolarHBondContact O-N 2.88Å; L399-S403 PolarHBondContact O-OG 2.83Å; E401-S403 VanDerWaalsContact C-N 3.28Å; E401-S403 PolarHBondContact O-N 2.96Å; S403-A407 WeakPolarHBondContact O-CB 3.3Å
404Q65Low79.7Confident53 Ų5345 Ų4525%0.24828%0.275CS..Hα-helixtrans-75.6-50.2176.6-74.1177.11.400111.3T400 E401 A406 A407 K408 W503T400-Q404 WeakPolarHBondContact O-CB 3.4Å; T400-Q404 WeakPolarHBondContact O-CG 3.39Å; T400-Q404 PolarHBondContact O-N 3.37Å; E401-Q404 PolarHBondContact O-N 2.81Å; E401-Q404 VanDerWaalsContact O-N 3.11Å; Q404-A406 PolarHBondContact O-N 3.29Å; Q404-A407 PolarHBondContact O-N 2.85Å; Q404-K408 PolarHBondContact O-N 2.99Å; Q404-W503 HydrophobicContact CG-CH2 4.25Å; Q404-W503 HydrophobicContact CG-CZ2 4.47Å
405Q62.8Low79.6Confident105 Ų10546 Ų4649%0.49128%0.283SS..Hα-helixtrans-63.8-23.9-178.9-150.276.710.700113.4E401E401-Q405 VanDerWaalsContact O-CB 3.3Å; E401-Q405 WeakPolarHBondContact O-CB 3.09Å; E401-Q405 PolarHBondContact O-N 3.22Å
406A60.7Low79.6Confident83 Ų8345.7 Ų45.769%0.68628%0.283SS*.THydrogen-bonded Turntrans-87.1-4.9175.700000114.4V402 Q404V402-A406 WeakPolarHBondContact O-CB 3.47Å; V402-A406 PolarHBondContact O-N 3.02Å; Q404-A406 PolarHBondContact O-N 3.29Å
407A73.8Confident79.8Confident57 Ų5749.8 Ų49.847%0.47129%0.293SS..THydrogen-bonded Turntrans-136.6-13.9-173.800000115S403 Q404S403-A407 WeakPolarHBondContact O-CB 3.3Å; Q404-A407 PolarHBondContact O-N 2.85Å
408K87.1Confident80.3Confident36 Ų3647.9 Ų47.916%0.15728%0.282CS..  trans-140.9140.5-178.7-65.2-65.5174.6-167.50111.5Q404 M413 D467 E468 L470 W503Q404-K408 PolarHBondContact O-N 2.99Å; K408-M413 VanDerWaalsContact O-CE 3.3Å; K408-M413 WeakPolarHBondContact O-CE 3.3Å; K408-D467 PolarHBondContact NZ-O 3.18Å; K408-E468 CarbonylContact C-O 3.51Å; K408-E468 VanDerWaalsContact CA-O 3.27Å; K408-E468 WeakPolarHBondContact CA-O 3.12Å; K408-E468 VanDerWaalsContact CD-O 3.29Å; K408-E468 WeakPolarHBondContact CD-O 3.39Å; K408-L470 PolarHBondContact NZ-O 2.93Å; K408-W503 HydrophobicContact CB-CD2 4.23Å; K408-W503 HydrophobicContact CB-CE3 3.84Å; K408-W503 HydrophobicContact CB-CH2 4.31Å; K408-W503 HydrophobicContact CB-CZ3 3.88Å; K408-W503 HydrophobicContact CD-CB 4.18Å; K408-W503 HydrophobicContact CD-CD2 3.82Å; K408-W503 HydrophobicContact CD-CE3 4.19Å; K408-W503 HydrophobicContact CD-CG 3.79Å; K408-W503 HydrophobicContact CG-CD2 3.68Å; K408-W503 HydrophobicContact CG-CE3 3.83Å; K408-W503 HydrophobicContact CG-CG 4.18Å; K408-W503 HydrophobicContact CG-CH2 4.31Å; K408-W503 HydrophobicContact CG-CZ2 4.18Å; K408-W503 HydrophobicContact CG-CZ3 4.14Å
409C88.2Confident80.7Confident33 Ų3347.9 Ų47.922%0.22328%0.282CS..  trans-147.485.6179.5-172.50000109.5E468 W750C409-E468 HydrophobicContact CB-CB 3.98Å; C409-E468 HydrophobicContact CB-CG 4.43Å; C409-E468 PolarHBondContact N-O 2.95Å; C409-W750 PolarHBondContact O-NE1 3.02Å
410I91.6Very high81.3Confident7 Ų746.7 Ų46.74%0.03627%0.274CS..  trans-87.2156.1172.665166.4000110.7A412 M413 V469 W503 Y523I410-A412 HydrophobicContact CD1-CB 4.22Å; I410-A412 HydrophobicContact CG1-CB 4.41Å; I410-A412 PolarHBondContact O-N 3.32Å; I410-A412 VanDerWaalsContact O-N 3.07Å; I410-M413 HydrophobicContact CG1-CG 3.76Å; I410-M413 HydrophobicContact CG1-SD 3.66Å; I410-M413 WeakPolarHBondContact O-CB 3.23Å; I410-M413 PolarHBondContact O-N 3.45Å; I410-V469 HydrophobicContact CG2-CG2 4.05Å; I410-W503 HydrophobicContact CG2-CE3 4.17Å; I410-Y523 HydrophobicContact CD1-CD1 3.97Å; I410-Y523 HydrophobicContact CD1-CE1 4.35Å
411P93Very high82.3Confident6 Ų647.7 Ų47.74%0.03927%0.273CS..Hα-helixtrans-50.8-39.1-176.6-2933.7000114.6M413 V414 F448 M746 W750P411-M413 PolarHBondContact O-N 2.79Å; P411-M413 VanDerWaalsContact O-N 3.12Å; P411-V414 PolarHBondContact O-N 3.47Å; P411-F448 HydrophobicContact CG-CZ 4.29Å; P411-M746 HydrophobicContact CB-CE 4.03Å; P411-M746 HydrophobicContact CB-CG 3.91Å; P411-M746 HydrophobicContact CB-SD 4.21Å; P411-M746 WeakPolarHBondContact O-CG 3.28Å; P411-W750 HydrophobicContact CB-CB 4.17Å; P411-W750 HydrophobicContact CB-CD2 4.46Å; P411-W750 HydrophobicContact CB-CG 4.15Å; P411-W750 HydrophobicContact CG-CB 4.39Å; P411-W750 HydrophobicContact CG-CD2 3.73Å; P411-W750 HydrophobicContact CG-CE3 4.06Å; P411-W750 HydrophobicContact CG-CG 3.9Å
412A91.2Very high83.6Confident1 Ų146 Ų461%0.00827%0.265CS..Hα-helixtrans-65.7-6.8177.900000115.7I410 T419 I522 Y523 M746I410-A412 HydrophobicContact CD1-CB 4.22Å; I410-A412 HydrophobicContact CG1-CB 4.41Å; I410-A412 PolarHBondContact O-N 3.32Å; I410-A412 VanDerWaalsContact O-N 3.07Å; A412-T419 HydrophobicContact CB-CG2 3.76Å; A412-T419 PolarHBondContact O-OG1 2.78Å; A412-I522 HydrophobicContact CB-CB 4.26Å; A412-I522 HydrophobicContact CB-CG2 4.07Å; A412-Y523 HydrophobicContact CB-CD1 3.81Å; A412-Y523 HydrophobicContact CB-CE1 3.65Å; A412-M746 HydrophobicContact CB-SD 4.34Å
413M87.4Confident85Confident30 Ų3044 Ų4415%0.14825%0.251CS..Hα-helixtrans-94.8-26.5174.7-65.5167.371.200112.4K408 I410 P411K408-M413 VanDerWaalsContact O-CE 3.3Å; K408-M413 WeakPolarHBondContact O-CE 3.3Å; I410-M413 HydrophobicContact CG1-CG 3.76Å; I410-M413 HydrophobicContact CG1-SD 3.66Å; I410-M413 WeakPolarHBondContact O-CB 3.23Å; I410-M413 PolarHBondContact O-N 3.45Å; P411-M413 PolarHBondContact O-N 2.79Å; P411-M413 VanDerWaalsContact O-N 3.12Å
414V87.4Confident86.4Confident62 Ų6247.5 Ų47.538%0.37625%0.252SS..Hα-helixtrans-74.9-32.8-169.4-178.40000112.8P411 K749 W750P411-V414 PolarHBondContact O-N 3.47Å; V414-K749 HydrophobicContact CG1-CB 4.41Å; V414-W750 HydrophobicContact CB-CB 4.5Å; V414-W750 HydrophobicContact CG2-CB 3.97Å; V414-W750 HydrophobicContact CG2-CG 4.25Å
415C87.8Confident88Confident23 Ų2349 Ų4916%0.15526%0.259CS..  trans-139.483.9179.5-162.60000111.4E417 L418 T419 K749C415-E417 VanDerWaalsContact C-N 3.27Å; C415-E417 PolarHBondContact O-N 3.48Å; C415-L418 HydrophobicContact CB-CB 4Å; C415-L418 PolarHBondContact O-N 2.8Å; C415-T419 PolarHBondContact O-N 3.37Å; C415-T419 PolarHBondContact O-OG1 3.39Å; C415-K749 HydrophobicContact CB-CD 3.99Å; C415-K749 PolarHBondContact SG-NZ 3.05Å; C415-K749 VanDerWaalsContact SG-NZ 3.38Å
416P87.1Confident89.6Confident36 Ų3644.2 Ų44.223%0.23424%0.237CC..Hα-helixtrans-57.8-36-177.7-2836.5000113.8L418 T419 E420P416-L418 VanDerWaalsContact C-N 3.3Å; P416-L418 PolarHBondContact O-N 2.86Å; P416-T419 PolarHBondContact O-N 3Å; P416-E420 VanDerWaalsContact O-CB 3.25Å; P416-E420 WeakPolarHBondContact O-CB 3.42Å; P416-E420 PolarHBondContact O-N 2.81Å
417E88.4Confident91.3Very high138 Ų13842.6 Ų42.665%0.64522%0.224SC*.Hα-helixtrans-65.4-29.2177-62.1-172.415200113.5C415 Q421C415-E417 VanDerWaalsContact C-N 3.27Å; C415-E417 PolarHBondContact O-N 3.48Å; E417-Q421 WeakPolarHBondContact O-CG 3.46Å; E417-Q421 PolarHBondContact O-N 2.81Å; E417-Q421 PolarHBondContact O-NE2 3.39Å
418L93Very high92.4Very high1 Ų142.7 Ų42.71%0.00522%0.224CC..Hα-helixtrans-84.4-40.2175.2176.857.8000111.1C415 P416 E420 Q421 I422 L742 Q745 M746 K749C415-L418 HydrophobicContact CB-CB 4Å; C415-L418 PolarHBondContact O-N 2.8Å; P416-L418 VanDerWaalsContact C-N 3.3Å; P416-L418 PolarHBondContact O-N 2.86Å; L418-E420 PolarHBondContact O-N 3.4Å; L418-Q421 WeakPolarHBondContact O-CA 3.46Å; L418-Q421 WeakPolarHBondContact O-CB 3.44Å; L418-Q421 PolarHBondContact O-N 3.01Å; L418-I422 WeakPolarHBondContact O-CG1 3.43Å; L418-I422 PolarHBondContact O-N 2.89Å; L418-L742 HydrophobicContact CD1-CB 4Å; L418-L742 HydrophobicContact CD1-CD2 3.8Å; L418-L742 HydrophobicContact CD1-CG 4.4Å; L418-Q745 HydrophobicContact CD2-CB 3.94Å; L418-Q745 HydrophobicContact CD2-CG 3.79Å; L418-M746 HydrophobicContact CD2-CB 3.85Å; L418-M746 HydrophobicContact CG-CB 4.34Å; L418-K749 HydrophobicContact CD2-CD 4.23Å
419T93.1Very high92.9Very high1 Ų141.1 Ų41.11%0.00622%0.217CC..Hα-helixtrans-59.5-35.1173.8-45.10000111.1A412 C415 P416 I422 R423 I522A412-T419 HydrophobicContact CB-CG2 3.76Å; A412-T419 PolarHBondContact O-OG1 2.78Å; C415-T419 PolarHBondContact O-N 3.37Å; C415-T419 PolarHBondContact O-OG1 3.39Å; P416-T419 PolarHBondContact O-N 3Å; T419-I422 PolarHBondContact O-N 2.84Å; T419-R423 PolarHBondContact O-N 3.19Å; T419-I522 HydrophobicContact CG2-CB 4.15Å; T419-I522 HydrophobicContact CG2-CG2 3.66Å
420E91.9Very high93.4Very high55 Ų5540.4 Ų40.426%0.25721%0.212SC..Hα-helixtrans-64.9-38.7170.6174.961.2-16500113.2P416 L418 R423 R424P416-E420 VanDerWaalsContact O-CB 3.25Å; P416-E420 WeakPolarHBondContact O-CB 3.42Å; P416-E420 PolarHBondContact O-N 2.81Å; L418-E420 PolarHBondContact O-N 3.4Å; E420-R423 PolarHBondContact O-N 2.82Å; E420-R423 IonicContact OE2-CZ 2.72Å; E420-R423 IonicContact OE2-NE 2.62Å; E420-R423 IonicContact OE2-NH2 3.15Å; E420-R423 PolarHBondContact OE2-NH2 3.17Å; E420-R424 WeakPolarHBondContact O-CG 3.33Å; E420-R424 PolarHBondContact O-N 2.84Å; E420-R424 VanDerWaalsContact O-N 3.13Å; E420-R424 IonicContact OE1-CZ 2.77Å; E420-R424 IonicContact OE1-NE 3.53Å; E420-R424 PolarHBondContact OE1-NE 3.14Å; E420-R424 IonicContact OE1-NH2 3.15Å; E420-R424 PolarHBondContact OE1-NH2 2.91Å
421Q96.3Very high93.7Very high94 Ų9444.3 Ų44.344%0.43923%0.229SC..Hα-helixtrans-67.2-39.8174.1-69.4163.662.200111E417 L418 R424 E425 L742E417-Q421 WeakPolarHBondContact O-CG 3.46Å; E417-Q421 PolarHBondContact O-N 2.81Å; E417-Q421 PolarHBondContact O-NE2 3.39Å; L418-Q421 WeakPolarHBondContact O-CA 3.46Å; L418-Q421 WeakPolarHBondContact O-CB 3.44Å; L418-Q421 PolarHBondContact O-N 3.01Å; Q421-R424 PolarHBondContact O-N 3.34Å; Q421-E425 PolarHBondContact O-N 3.27Å; Q421-L742 HydrophobicContact CB-CD1 3.86Å
422I96.8Very high93.9Very high0 Ų047.7 Ų47.70%025%0.245CC..Hα-helixtrans-60.4-46.4173.6-62167.8000110.8L418 T419 R424 E425 V426 W520 I522 L742 V743 M746L418-I422 WeakPolarHBondContact O-CG1 3.43Å; L418-I422 PolarHBondContact O-N 2.89Å; T419-I422 PolarHBondContact O-N 2.84Å; I422-R424 VanDerWaalsContact C-N 3.26Å; I422-R424 PolarHBondContact O-N 2.79Å; I422-E425 PolarHBondContact O-N 3.16Å; I422-E425 VanDerWaalsContact O-N 3.1Å; I422-V426 HydrophobicContact CG2-CG2 4.47Å; I422-V426 WeakPolarHBondContact O-CG2 3.49Å; I422-V426 PolarHBondContact O-N 3.12Å; I422-W520 HydrophobicContact CG2-CB 4.07Å; I422-W520 HydrophobicContact CG2-CD2 4.36Å; I422-W520 HydrophobicContact CG2-CE3 3.79Å; I422-I522 HydrophobicContact CB-CD1 4.36Å; I422-I522 HydrophobicContact CB-CG2 4.45Å; I422-I522 HydrophobicContact CD1-CG2 4.12Å; I422-I522 HydrophobicContact CG2-CD1 3.74Å; I422-I522 HydrophobicContact CG2-CG1 4.17Å; I422-I522 HydrophobicContact CG2-CG2 4.09Å; I422-L742 HydrophobicContact CD1-CB 4.32Å; I422-L742 HydrophobicContact CG1-CB 3.63Å; I422-L742 HydrophobicContact CG1-CD1 4.3Å; I422-V743 HydrophobicContact CD1-CG2 4.26Å; I422-M746 HydrophobicContact CD1-CB 4.13Å; I422-M746 HydrophobicContact CD1-CE 3.82Å; I422-M746 HydrophobicContact CD1-CG 4.49Å; I422-M746 HydrophobicContact CD1-SD 3.63Å
423R96Very high94.1Very high18 Ų1852 Ų527%0.06826%0.261CS..Hα-helixtrans-60.2-33.9176.3-76.1-168.2-58.8-80.8-6.9113.2T419 E420 A427 I522 D526T419-R423 PolarHBondContact O-N 3.19Å; E420-R423 PolarHBondContact O-N 2.82Å; E420-R423 IonicContact OE2-CZ 2.72Å; E420-R423 IonicContact OE2-NE 2.62Å; E420-R423 IonicContact OE2-NH2 3.15Å; E420-R423 PolarHBondContact OE2-NH2 3.17Å; R423-A427 WeakPolarHBondContact O-CB 3.11Å; R423-A427 PolarHBondContact O-N 2.99Å; R423-I522 HydrophobicContact CB-CD1 4.48Å; R423-I522 HydrophobicContact CG-CD1 3.43Å; R423-I522 VanDerWaalsContact CG-CD1 3.43Å; R423-D526 VanDerWaalsContact CD-OD2 3.25Å; R423-D526 WeakPolarHBondContact CD-OD2 3.45Å; R423-D526 IonicContact CZ-OD2 2.78Å; R423-D526 IonicContact NE-OD2 3.37Å; R423-D526 PolarHBondContact NE-OD2 3.01Å; R423-D526 IonicContact NH2-OD2 3.33Å
424R96.5Very high94.5Very high158 Ų15859.8 Ų59.860%0.59629%0.294SS*.Hα-helixtrans-69.6-36.9174.5-69.4168.9-171.3-150.5-0.1112.4E420 Q421 I422 A427 A428E420-R424 WeakPolarHBondContact O-CG 3.33Å; E420-R424 PolarHBondContact O-N 2.84Å; E420-R424 VanDerWaalsContact O-N 3.13Å; E420-R424 IonicContact OE1-CZ 2.77Å; E420-R424 IonicContact OE1-NE 3.53Å; E420-R424 PolarHBondContact OE1-NE 3.14Å; E420-R424 IonicContact OE1-NH2 3.15Å; E420-R424 PolarHBondContact OE1-NH2 2.91Å; Q421-R424 PolarHBondContact O-N 3.34Å; I422-R424 VanDerWaalsContact C-N 3.26Å; I422-R424 PolarHBondContact O-N 2.79Å; R424-A427 PolarHBondContact O-N 2.74Å; R424-A428 VanDerWaalsContact O-CB 3.32Å; R424-A428 WeakPolarHBondContact O-CB 3.44Å; R424-A428 PolarHBondContact O-N 3.29Å
425E97Very high94.7Very high86 Ų8659.3 Ų59.340%0.40230%0.301SS..Hα-helixtrans-69.1-40175.1-149.863.2-143.800111.6Q421 I422 A427 A428 S429 W520Q421-E425 PolarHBondContact O-N 3.27Å; I422-E425 PolarHBondContact O-N 3.16Å; I422-E425 VanDerWaalsContact O-N 3.1Å; E425-A427 VanDerWaalsContact C-N 3.33Å; E425-A427 PolarHBondContact O-N 2.85Å; E425-A428 PolarHBondContact O-N 3.3Å; E425-S429 WeakPolarHBondContact O-CB 3.28Å; E425-S429 PolarHBondContact O-N 3.19Å; E425-S429 PolarHBondContact O-OG 3.19Å; E425-W520 HydrophobicContact CB-CH2 4.33Å; E425-W520 HydrophobicContact CB-CZ3 4.29Å; E425-W520 HydrophobicContact CG-CH2 4.21Å; E425-W520 HydrophobicContact CG-CZ3 4.38Å
426V96.9Very high95Very high4 Ų465.1 Ų65.12%0.02433%0.331CS..Hα-helixtrans-58.3-44169.6174.70000111I422 S429 L430 L516 W520I422-V426 HydrophobicContact CG2-CG2 4.47Å; I422-V426 WeakPolarHBondContact O-CG2 3.49Å; I422-V426 PolarHBondContact O-N 3.12Å; V426-S429 WeakPolarHBondContact CA-OG 3.42Å; V426-S429 PolarHBondContact O-OG 3.16Å; V426-S429 VanDerWaalsContact O-OG 3.13Å; V426-L430 HydrophobicContact CG1-CD1 4.47Å; V426-L430 VanDerWaalsContact O-CG 3.31Å; V426-L430 WeakPolarHBondContact O-CG 3.43Å; V426-L430 PolarHBondContact O-N 3.46Å; V426-L516 HydrophobicContact CG1-CD2 4.28Å; V426-W520 HydrophobicContact CG2-CD2 3.64Å; V426-W520 HydrophobicContact CG2-CE3 4.19Å; V426-W520 HydrophobicContact CG2-CG 3.79Å; V426-W520 HydrophobicContact CG2-CZ2 4.08Å
427A97.1Very high95.4Very high49 Ų4964.3 Ų64.341%0.40532%0.324SS..Hα-helixtrans-69.9-29.9177.400000113.4R423 R424 E425 V528R423-A427 WeakPolarHBondContact O-CB 3.11Å; R423-A427 PolarHBondContact O-N 2.99Å; R424-A427 PolarHBondContact O-N 2.74Å; E425-A427 VanDerWaalsContact C-N 3.33Å; E425-A427 PolarHBondContact O-N 2.85Å; A427-V528 HydrophobicContact CB-CG1 4.18Å
428A97.3Very high95.8Very high58 Ų5859.7 Ų59.748%0.47931%0.305SS..Hα-helixtrans-78.6-35.3178.400000112.9R424 E425 L430 H431R424-A428 VanDerWaalsContact O-CB 3.32Å; R424-A428 WeakPolarHBondContact O-CB 3.44Å; R424-A428 PolarHBondContact O-N 3.29Å; E425-A428 PolarHBondContact O-N 3.3Å; A428-L430 VanDerWaalsContact C-N 3.3Å; A428-H431 PolarHBondContact O-CE1 2.84Å
429S96.9Very high96.1Very high3 Ų359.7 Ų59.72%0.02131%0.305CS..Hα-helixtrans-77-12176.652.60000113.8E425 V426 L442 T443 D444E425-S429 WeakPolarHBondContact O-CB 3.28Å; E425-S429 PolarHBondContact O-N 3.19Å; E425-S429 PolarHBondContact O-OG 3.19Å; V426-S429 WeakPolarHBondContact CA-OG 3.42Å; V426-S429 PolarHBondContact O-OG 3.16Å; V426-S429 VanDerWaalsContact O-OG 3.13Å; S429-L442 CarbonylContact O-C 3.49Å; S429-L442 WeakPolarHBondContact O-CA 3.28Å; S429-L442 WeakPolarHBondContact OG-CD2 3.06Å; S429-T443 VanDerWaalsContact CA-OG1 3.28Å; S429-T443 WeakPolarHBondContact CA-OG1 3.24Å; S429-T443 WeakPolarHBondContact CB-OG1 3.42Å; S429-T443 PolarHBondContact O-N 2.87Å; S429-T443 PolarHBondContact O-OG1 3.28Å; S429-D444 WeakPolarHBondContact CB-OD2 3.4Å
430L97.8Very high96.4Very high19 Ų1962 Ų6210%0.09931%0.314CS..EExtended strand (participates in β ladder)trans-80.4125173.4-81.2171.6000112.1V426 A428 L442 V528 T532 I599V426-L430 HydrophobicContact CG1-CD1 4.47Å; V426-L430 VanDerWaalsContact O-CG 3.31Å; V426-L430 WeakPolarHBondContact O-CG 3.43Å; V426-L430 PolarHBondContact O-N 3.46Å; A428-L430 VanDerWaalsContact C-N 3.3Å; L430-L442 HydrophobicContact CD2-CD2 3.65Å; L430-L442 HydrophobicContact CD2-CG 3.87Å; L430-L442 HydrophobicContact CG-CD2 3.69Å; L430-L442 HydrophobicContact CG-CG 4.47Å; L430-V528 HydrophobicContact CD1-CG1 3.86Å; L430-T532 HydrophobicContact CD1-CG2 4.1Å; L430-T532 WeakPolarHBondContact CD1-OG1 3.41Å; L430-T532 HydrophobicContact CD2-CG2 3.82Å; L430-I599 HydrophobicContact CD2-CG2 3.9Å
431H97.9Very high96.7Very high88 Ų8860.7 Ų60.741%0.40731%0.307SS..EExtended strand (participates in β ladder)trans-133.5139.4-179.3-67.4-3.2000111.2A428 Y440 F441A428-H431 PolarHBondContact O-CE1 2.84Å; H431-Y440 CarbonylContact O-C 3.54Å; H431-Y440 VanDerWaalsContact O-CA 3.29Å; H431-Y440 WeakPolarHBondContact O-CA 3.27Å; H431-F441 HydrophobicContact CB-CE1 3.97Å; H431-F441 HydrophobicContact CB-CE2 4.08Å; H431-F441 HydrophobicContact CB-CZ 3.72Å; H431-F441 PolarHBondContact N-O 3.41Å; H431-F441 WeakPolarHBondContact O-CD1 3.29Å; H431-F441 WeakPolarHBondContact O-CE1 3.42Å; H431-F441 PolarHBondContact O-N 3.48Å
432Q97.5Very high96.7Very high77 Ų7756.6 Ų56.636%0.3629%0.288SS..EExtended strand (participates in β ladder)trans-83.2132.6170.2-158.7176.724.900110.6T438 Y440 D539Q432-T438 WeakPolarHBondContact CG-O 2.76Å; Q432-T438 PolarHBondContact NE2-O 3.41Å; Q432-Y440 HydrophobicContact CB-CD1 4.15Å; Q432-Y440 HydrophobicContact CB-CD2 4.23Å; Q432-Y440 HydrophobicContact CB-CE1 3.94Å; Q432-Y440 HydrophobicContact CB-CE2 4.03Å; Q432-Y440 HydrophobicContact CB-CG 4.3Å; Q432-Y440 HydrophobicContact CG-CD2 3.88Å; Q432-Y440 HydrophobicContact CG-CE2 3.73Å; Q432-Y440 HydrophobicContact CG-CG 4.37Å; Q432-D539 PolarHBondContact NE2-OD2 3.43Å; Q432-D539 VanDerWaalsContact NE2-OD2 3.08Å
433R96.9Very high96.7Very high91 Ų9159 Ų5934%0.34330%0.303SS..PPolyproline II helixtrans-69.1147.1175.4-172.874.7-179.4-150.9-3.8111.2F437 T438 C439 F441 W634R433-F437 WeakPolarHBondContact CB-O 3.2Å; R433-F437 WeakPolarHBondContact CG-O 3.39Å; R433-T438 WeakPolarHBondContact O-CA 3.5Å; R433-C439 WeakPolarHBondContact CB-O 3.43Å; R433-C439 PolarHBondContact N-O 2.87Å; R433-F441 HydrophobicContact CB-CD1 4.22Å; R433-F441 HydrophobicContact CB-CE1 4.11Å; R433-W634 HydrophobicContact CB-CH2 3.64Å; R433-W634 HydrophobicContact CB-CZ3 4.3Å; R433-W634 HydrophobicContact CG-CH2 3.64Å; R433-W634 HydrophobicContact CG-CZ3 3.78Å
434K94.2Very high96.6Very high195 Ų19561.7 Ų61.785%0.84832%0.319SS*.PPolyproline II helixtrans-100.7136.4172.5-60.9175.8-176.21740109.8
435G92.9Very high96.5Very high52 Ų5257.4 Ų57.454%0.53631%0.308SS..SBendtrans125.5-162.9-174.900000110.8F437 T438G435-F437 VanDerWaalsContact C-N 3.29Å; G435-F437 PolarHBondContact O-N 3.45Å; G435-T438 VanDerWaalsContact O-CG2 3.3Å; G435-T438 WeakPolarHBondContact O-CG2 3.48Å
436D92.9Very high96.4Very high144 Ų14454.1 Ų54.177%0.7729%0.293SS*.SBendtrans-79.9-9.2-173.6-46.9-57.4000114W543D436-W543 HydrophobicContact CB-CZ2 4.48Å; D436-W543 PolarHBondContact O-NE1 2.69Å
437F96.8Very high96.4Very high20 Ų2054.7 Ų54.79%0.08830%0.297CS..  trans-119.288.9171.4-176.7-122.7000108.6R433 G435 C439 C540 W543 F544 L633 W634R433-F437 WeakPolarHBondContact CB-O 3.2Å; R433-F437 WeakPolarHBondContact CG-O 3.39Å; G435-F437 VanDerWaalsContact C-N 3.29Å; G435-F437 PolarHBondContact O-N 3.45Å; F437-C439 HydrophobicContact CD1-CB 3.98Å; F437-C439 HydrophobicContact CD2-CB 4.3Å; F437-C439 HydrophobicContact CE1-CB 3.53Å; F437-C439 HydrophobicContact CE2-CB 3.89Å; F437-C439 HydrophobicContact CG-CB 4.34Å; F437-C439 HydrophobicContact CZ-CB 3.48Å; F437-C439 VanDerWaalsContact CZ-CB 3.48Å; F437-C439 PolarHBondContact O-N 2.69Å; F437-C439 VanDerWaalsContact O-N 3.13Å; F437-C540 HydrophobicContact CD2-CB 3.79Å; F437-C540 WeakPolarHBondContact CD2-SG 3.47Å; F437-C540 HydrophobicContact CE2-CB 3.69Å; F437-W543 HydrophobicContact CB-CZ2 4.44Å; F437-W543 HydrophobicContact CD2-CB 4.26Å; F437-W543 AromaticContact CD2-CD1 3.61Å; F437-W543 HydrophobicContact CD2-CD2 4.22Å; F437-W543 AromaticContact CD2-CG 3.8Å; F437-W543 HydrophobicContact CD2-CG 3.8Å; F437-W543 AromaticContact CD2-NE1 3.9Å; F437-W543 HydrophobicContact CE2-CB 4.23Å; F437-W543 HydrophobicContact CE2-CG 4.26Å; F437-F544 HydrophobicContact CE2-CE2 4.08Å; F437-F544 AromaticContact CE2-CZ 3.98Å; F437-F544 HydrophobicContact CE2-CZ 3.98Å; F437-F544 HydrophobicContact CZ-CE2 4.45Å; F437-F544 AromaticContact CZ-CZ 3.93Å; F437-F544 HydrophobicContact CZ-CZ 3.93Å; F437-L633 HydrophobicContact CE1-CB 3.9Å; F437-L633 HydrophobicContact CE2-CB 4.18Å; F437-L633 HydrophobicContact CE2-CD1 3.7Å; F437-L633 HydrophobicContact CZ-CB 3.66Å; F437-L633 HydrophobicContact CZ-CD1 3.77Å; F437-L633 HydrophobicContact CZ-CG 4.38Å; F437-W634 HydrophobicContact CD1-CD2 4.42Å; F437-W634 AromaticContact CD1-CE3 3.93Å; F437-W634 HydrophobicContact CD1-CE3 3.93Å; F437-W634 AromaticContact CD1-CH2 3.57Å; F437-W634 HydrophobicContact CD1-CH2 3.57Å; F437-W634 HydrophobicContact CD1-CZ2 4.16Å; F437-W634 AromaticContact CD1-CZ3 3.48Å; F437-W634 HydrophobicContact CD1-CZ3 3.48Å; F437-W634 VanDerWaalsContact CD1-CZ3 3.48Å; F437-W634 AromaticContact CE1-CD2 3.98Å; F437-W634 HydrophobicContact CE1-CD2 3.98Å; F437-W634 AromaticContact CE1-CE2 3.89Å; F437-W634 AromaticContact CE1-CE3 3.96Å; F437-W634 HydrophobicContact CE1-CE3 3.96Å; F437-W634 AromaticContact CE1-CH2 3.68Å; F437-W634 HydrophobicContact CE1-CH2 3.68Å; F437-W634 AromaticContact CE1-CZ2 3.76Å; F437-W634 HydrophobicContact CE1-CZ2 3.76Å; F437-W634 AromaticContact CE1-CZ3 3.81Å; F437-W634 HydrophobicContact CE1-CZ3 3.81Å
438T96.9Very high96.3Very high41 Ų4152.7 Ų52.725%0.25228%0.279SS..  trans-83.435.1-176.952.20000113.2Q432 R433 G435 C540Q432-T438 WeakPolarHBondContact CG-O 2.76Å; Q432-T438 PolarHBondContact NE2-O 3.41Å; R433-T438 WeakPolarHBondContact O-CA 3.5Å; G435-T438 VanDerWaalsContact O-CG2 3.3Å; G435-T438 WeakPolarHBondContact O-CG2 3.48Å; T438-C540 VanDerWaalsContact C-SG 3.55Å; T438-C540 PolarHBondContact N-SG 2.81Å
439C98.2Very high96.2Very high0 Ų050.3 Ų50.30%026%0.259CS..  trans-67.5145177.9-165.50000110.1R433 F437 C540 W634R433-C439 WeakPolarHBondContact CB-O 3.43Å; R433-C439 PolarHBondContact N-O 2.87Å; F437-C439 HydrophobicContact CD1-CB 3.98Å; F437-C439 HydrophobicContact CD2-CB 4.3Å; F437-C439 HydrophobicContact CE1-CB 3.53Å; F437-C439 HydrophobicContact CE2-CB 3.89Å; F437-C439 HydrophobicContact CG-CB 4.34Å; F437-C439 HydrophobicContact CZ-CB 3.48Å; F437-C439 VanDerWaalsContact CZ-CB 3.48Å; F437-C439 PolarHBondContact O-N 2.69Å; F437-C439 VanDerWaalsContact O-N 3.13Å; C439-C540 PolarHBondContact N-SG 2.89Å; C439-W634 HydrophobicContact CB-CH2 4.1Å; C439-W634 HydrophobicContact CB-CZ2 3.87Å
440Y98.6Very high96.1Very high51 Ų5150.2 Ų50.220%0.226%0.258CS..EExtended strand (participates in β ladder)trans-74.1157.2169.3-77.9-105.9000111.2H431 Q432 T532 D535 S536 I599H431-Y440 CarbonylContact O-C 3.54Å; H431-Y440 VanDerWaalsContact O-CA 3.29Å; H431-Y440 WeakPolarHBondContact O-CA 3.27Å; Q432-Y440 HydrophobicContact CB-CD1 4.15Å; Q432-Y440 HydrophobicContact CB-CD2 4.23Å; Q432-Y440 HydrophobicContact CB-CE1 3.94Å; Q432-Y440 HydrophobicContact CB-CE2 4.03Å; Q432-Y440 HydrophobicContact CB-CG 4.3Å; Q432-Y440 HydrophobicContact CG-CD2 3.88Å; Q432-Y440 HydrophobicContact CG-CE2 3.73Å; Q432-Y440 HydrophobicContact CG-CG 4.37Å; Y440-T532 VanDerWaalsContact CB-CG2 3.43Å; Y440-T532 HydrophobicContact CD1-CG2 4.01Å; Y440-T532 HydrophobicContact CD2-CG2 4.42Å; Y440-T532 HydrophobicContact CG-CG2 3.73Å; Y440-D535 HydrophobicContact CD2-CB 4.49Å; Y440-D535 HydrophobicContact CE2-CB 3.91Å; Y440-S536 WeakPolarHBondContact CB-OG 3.5Å; Y440-S536 WeakPolarHBondContact CD2-OG 3.42Å; Y440-S536 PolarHBondContact N-OG 2.98Å; Y440-S536 VanDerWaalsContact N-OG 3.11Å; Y440-I599 WeakPolarHBondContact O-CA 3.31Å
441F98.5Very high95.8Very high26 Ų2649.7 Ų49.711%0.11426%0.255CS..EExtended strand (participates in β ladder)trans-151.4151.2174.166-87000112.2H431 R433 T443 I599 R601 W634 F638H431-F441 HydrophobicContact CB-CE1 3.97Å; H431-F441 HydrophobicContact CB-CE2 4.08Å; H431-F441 HydrophobicContact CB-CZ 3.72Å; H431-F441 PolarHBondContact N-O 3.41Å; H431-F441 WeakPolarHBondContact O-CD1 3.29Å; H431-F441 WeakPolarHBondContact O-CE1 3.42Å; H431-F441 PolarHBondContact O-N 3.48Å; R433-F441 HydrophobicContact CB-CD1 4.22Å; R433-F441 HydrophobicContact CB-CE1 4.11Å; F441-T443 HydrophobicContact CE2-CG2 4.5Å; F441-I599 CarbonylContact C-O 3.5Å; F441-I599 VanDerWaalsContact CA-O 3.28Å; F441-I599 WeakPolarHBondContact CA-O 3.49Å; F441-R601 HydrophobicContact CB-CG 3.89Å; F441-W634 HydrophobicContact CB-CZ2 4.38Å; F441-F638 HydrophobicContact CB-CE1 4.5Å; F441-F638 HydrophobicContact CD1-CZ 4.22Å; F441-F638 HydrophobicContact CD2-CE1 4.43Å; F441-F638 AromaticContact CD2-CZ 3.74Å; F441-F638 HydrophobicContact CD2-CZ 3.74Å; F441-F638 HydrophobicContact CE1-CZ 4.35Å; F441-F638 AromaticContact CE2-CZ 3.88Å; F441-F638 HydrophobicContact CE2-CZ 3.88Å; F441-F638 HydrophobicContact CG-CE1 4.24Å; F441-F638 AromaticContact CG-CZ 3.93Å; F441-F638 HydrophobicContact CG-CZ 3.93Å; F441-F638 HydrophobicContact CZ-CZ 4.18Å
442L97.7Very high95.5Very high8 Ų845.7 Ų45.74%0.04224%0.238CC..EExtended strand (participates in β ladder)trans-80.5142.6168.2-75.3172.2000111.5S429 L430 I599 L600 R601S429-L442 CarbonylContact O-C 3.49Å; S429-L442 WeakPolarHBondContact O-CA 3.28Å; S429-L442 WeakPolarHBondContact OG-CD2 3.06Å; L430-L442 HydrophobicContact CD2-CD2 3.65Å; L430-L442 HydrophobicContact CD2-CG 3.87Å; L430-L442 HydrophobicContact CG-CD2 3.69Å; L430-L442 HydrophobicContact CG-CG 4.47Å; L442-I599 PolarHBondContact N-O 2.74Å; L442-L600 HydrophobicContact CD1-CD2 3.67Å; L442-R601 WeakPolarHBondContact O-CD 3.38Å; L442-R601 PolarHBondContact O-NH1 2.74Å
443T96.8Very high95.3Very high51 Ų5144.6 Ų44.631%0.31324%0.235SC..SBendtrans-74.4-31.2169.839.40000113.5S429 F441 R601 W640S429-T443 VanDerWaalsContact CA-OG1 3.28Å; S429-T443 WeakPolarHBondContact CA-OG1 3.24Å; S429-T443 WeakPolarHBondContact CB-OG1 3.42Å; S429-T443 PolarHBondContact O-N 2.87Å; S429-T443 PolarHBondContact O-OG1 3.28Å; F441-T443 HydrophobicContact CE2-CG2 4.5Å; T443-R601 PolarHBondContact O-NH1 2.88Å; T443-W640 VanDerWaalsContact O-CH2 3.27Å; T443-W640 WeakPolarHBondContact O-CH2 3.47Å; T443-W640 WeakPolarHBondContact O-CZ2 3.34Å
444D93.4Very high95.1Very high75 Ų7540.3 Ų40.340%0.40122%0.218SC..  trans-115142.3-163.3-55-76.2000113.9S429 V446 W640S429-D444 WeakPolarHBondContact CB-OD2 3.4Å; D444-V446 HydrophobicContact CB-CG2 4.46Å; D444-W640 WeakPolarHBondContact O-CH2 3.5Å
445L94.6Very high95.1Very high68 Ų6837 Ų3736%0.35621%0.206SC..  trans-97.298.2176.6-179.166.7000109.9R602 W640L445-R602 VanDerWaalsContact CD1-CZ 3.48Å; L445-W640 HydrophobicContact CB-CD2 3.9Å; L445-W640 HydrophobicContact CB-CE3 4.31Å; L445-W640 HydrophobicContact CB-CG 4.23Å; L445-W640 HydrophobicContact CB-CH2 4.32Å; L445-W640 HydrophobicContact CB-CZ2 3.96Å; L445-W640 HydrophobicContact CB-CZ3 4.5Å; L445-W640 HydrophobicContact CD1-CB 3.9Å; L445-W640 HydrophobicContact CD1-CD2 3.92Å; L445-W640 HydrophobicContact CD1-CE3 3.97Å; L445-W640 HydrophobicContact CD1-CG 3.93Å; L445-W640 HydrophobicContact CD2-CB 4.04Å; L445-W640 HydrophobicContact CD2-CD2 4.41Å; L445-W640 HydrophobicContact CD2-CG 3.87Å; L445-W640 HydrophobicContact CG-CD2 4.29Å; L445-W640 HydrophobicContact CG-CG 4.23Å
446V95.1Very high95.1Very high16 Ų1640.9 Ų40.910%0.09721%0.214CC..  trans-113.8137173.7-157.10000109.4D444 T519 W520 R602 H740D444-V446 HydrophobicContact CB-CG2 4.46Å; V446-T519 CarbonylContact C-O 3.49Å; V446-T519 WeakPolarHBondContact CG1-O 3.47Å; V446-T519 WeakPolarHBondContact O-CA 3.49Å; V446-T519 WeakPolarHBondContact O-CB 3.34Å; V446-T519 WeakPolarHBondContact O-CG2 3.28Å; V446-W520 HydrophobicContact CB-CD2 4.17Å; V446-W520 HydrophobicContact CB-CG 4.49Å; V446-W520 HydrophobicContact CG1-CD2 4.39Å; V446-W520 HydrophobicContact CG1-CE3 4.47Å; V446-W520 HydrophobicContact CG2-CD2 3.94Å; V446-W520 HydrophobicContact CG2-CE3 4.14Å; V446-W520 HydrophobicContact CG2-CH2 3.84Å; V446-W520 HydrophobicContact CG2-CZ2 3.57Å; V446-W520 HydrophobicContact CG2-CZ3 4.1Å; V446-R602 PolarHBondContact O-NH1 3.46Å; V446-H740 HydrophobicContact CG1-CB 4.14Å
447T95.7Very high95.1Very high16 Ų1634.7 Ų34.710%0.09818%0.181CC..  trans-131.7138.5175.7-46.70000107.4T519 R602 Q732T447-T519 CarbonylContact C-O 2.98Å; T447-T519 PolarHBondContact N-O 3.02Å; T447-R602 PolarHBondContact OG1-NH1 3.1Å; T447-R602 PolarHBondContact OG1-NH2 3.36Å; T447-Q732 HydrophobicContact CG2-CG 4.07Å
448F95.9Very high95.1Very high7 Ų736.4 Ų36.43%0.03119%0.194CC..  trans-98.2135.3177.8-172.6-87.4000111.3P411 L450 L502 Q517 A518 T519 V657 V743 V747P411-F448 HydrophobicContact CG-CZ 4.29Å; F448-L450 HydrophobicContact CE1-CD2 4.25Å; F448-L502 HydrophobicContact CD1-CD1 4.16Å; F448-L502 HydrophobicContact CE1-CD1 4.16Å; F448-Q517 WeakPolarHBondContact CB-O 3.47Å; F448-A518 PolarHBondContact N-O 3.05Å; F448-T519 PolarHBondContact N-O 3.03Å; F448-V657 HydrophobicContact CD1-CB 4.5Å; F448-V657 HydrophobicContact CD1-CG1 4.17Å; F448-V657 HydrophobicContact CD1-CG2 4.41Å; F448-V657 WeakPolarHBondContact O-CG1 3.31Å; F448-V743 HydrophobicContact CD2-CG1 4.17Å; F448-V743 HydrophobicContact CE2-CG1 4.43Å; F448-V747 HydrophobicContact CE2-CG2 3.67Å; F448-V747 HydrophobicContact CZ-CG2 4.11Å
449T94.4Very high95Very high9 Ų939.3 Ų39.36%0.05521%0.214CC..  trans-130.6147.8175.435.80000109.1A658 E660T449-A658 WeakPolarHBondContact CA-O 3.3Å; T449-E660 HydrophobicContact CG2-CG 4.42Å; T449-E660 WeakPolarHBondContact OG1-CG 3.32Å; T449-E660 PolarHBondContact OG1-OE1 3.09Å
450L94.9Very high94.8Very high0 Ų042.9 Ų42.90%024%0.244CC..BIsolated β-bridgetrans-72.9131.7170.5-71.7171000109F448 I454 Y500 L502 V657 A658 M659 E660 W750F448-L450 HydrophobicContact CE1-CD2 4.25Å; L450-I454 HydrophobicContact CB-CD1 4.09Å; L450-I454 HydrophobicContact CD2-CD1 4.25Å; L450-Y500 HydrophobicContact CD1-CD1 4.23Å; L450-Y500 HydrophobicContact CD1-CD2 4.06Å; L450-Y500 HydrophobicContact CD1-CG 3.79Å; L450-L502 HydrophobicContact CD2-CD2 4.32Å; L450-V657 HydrophobicContact CD1-CG2 4.28Å; L450-V657 HydrophobicContact CG-CG2 4Å; L450-A658 PolarHBondContact N-O 2.75Å; L450-M659 HydrophobicContact CB-CB 4.46Å; L450-M659 HydrophobicContact CB-CE 4.1Å; L450-M659 HydrophobicContact CB-CG 4.4Å; L450-M659 HydrophobicContact CD1-CE 4.45Å; L450-M659 CarbonylContact O-C 3.46Å; L450-M659 WeakPolarHBondContact O-CA 3.27Å; L450-M659 WeakPolarHBondContact O-CG 3.34Å; L450-E660 PolarHBondContact O-N 3.09Å; L450-W750 HydrophobicContact CD2-CH2 4.33Å
451P92.9Very high94.7Very high8 Ų840.9 Ų40.95%0.05224%0.237CC..  trans-69.2144.2-176.929.2-37.1000112.2D453 I454 V747 W750 L751P451-D453 HydrophobicContact CB-CB 4.49Å; P451-D453 PolarHBondContact O-N 3.41Å; P451-I454 HydrophobicContact CG-CD1 4.08Å; P451-I454 HydrophobicContact CG-CG1 4.23Å; P451-I454 WeakPolarHBondContact O-CD1 3.35Å; P451-I454 WeakPolarHBondContact O-CG1 3.26Å; P451-I454 PolarHBondContact O-N 2.94Å; P451-V747 HydrophobicContact CB-CG1 4.19Å; P451-V747 HydrophobicContact CG-CG1 3.63Å; P451-W750 HydrophobicContact CG-CZ3 4.25Å; P451-L751 HydrophobicContact CB-CD1 4.05Å; P451-L751 HydrophobicContact CG-CD1 3.68Å; P451-L751 HydrophobicContact CG-CD2 3.96Å; P451-L751 HydrophobicContact CG-CG 4.07Å
452A91.1Very high94.5Very high5 Ų542 Ų424%0.04124%0.242CC..G310 helixtrans-62-29.4178.700000113I454 E455 E660 D662 R736A452-I454 PolarHBondContact O-N 2.81Å; A452-E455 WeakPolarHBondContact O-CB 3.48Å; A452-E455 PolarHBondContact O-N 2.84Å; A452-E660 WeakPolarHBondContact CB-O 3.34Å; A452-D662 HydrophobicContact CB-CB 4.19Å; A452-D662 WeakPolarHBondContact CB-OD1 3.37Å; A452-R736 VanDerWaalsContact CB-NH2 3.28Å
453D92.1Very high94.4Very high54 Ų5447.5 Ų47.529%0.28927%0.267SS..G310 helixtrans-46.2-20.2172.3-70.858.4000115.2P451 E455 D456 L751 R755P451-D453 HydrophobicContact CB-CB 4.49Å; P451-D453 PolarHBondContact O-N 3.41Å; D453-E455 VanDerWaalsContact C-N 3.27Å; D453-E455 PolarHBondContact O-N 2.77Å; D453-D456 PolarHBondContact O-N 2.91Å; D453-L751 HydrophobicContact CB-CD1 3.62Å; D453-R755 IonicContact OD2-CZ 3.65Å; D453-R755 IonicContact OD2-NE 2.74Å; D453-R755 IonicContact OD2-NH2 2.94Å; D453-R755 PolarHBondContact OD2-NH2 3.16Å
454I94.4Very high94.2Very high1 Ų149.2 Ų49.21%0.00527%0.271CS..G310 helixtrans-62.1-36.2173.3-66.1167.1000110.8L450 P451 A452 D456 L457 Q462 L465 F466 M659 W750 L751L450-I454 HydrophobicContact CB-CD1 4.09Å; L450-I454 HydrophobicContact CD2-CD1 4.25Å; P451-I454 HydrophobicContact CG-CD1 4.08Å; P451-I454 HydrophobicContact CG-CG1 4.23Å; P451-I454 WeakPolarHBondContact O-CD1 3.35Å; P451-I454 WeakPolarHBondContact O-CG1 3.26Å; P451-I454 PolarHBondContact O-N 2.94Å; A452-I454 PolarHBondContact O-N 2.81Å; I454-D456 VanDerWaalsContact C-N 3.31Å; I454-D456 PolarHBondContact O-N 2.94Å; I454-L457 WeakPolarHBondContact O-CB 3.21Å; I454-L457 PolarHBondContact O-N 3.37Å; I454-Q462 HydrophobicContact CG2-CG 4.48Å; I454-Q462 VanDerWaalsContact O-CG 3.28Å; I454-Q462 WeakPolarHBondContact O-CG 3.38Å; I454-Q462 PolarHBondContact O-NE2 2.96Å; I454-L465 HydrophobicContact CD1-CD1 4.43Å; I454-L465 HydrophobicContact CD1-CD2 3.94Å; I454-L465 HydrophobicContact CG1-CD1 3.97Å; I454-L465 HydrophobicContact CG1-CD2 4.24Å; I454-L465 HydrophobicContact CG2-CD2 4.22Å; I454-F466 HydrophobicContact CG2-CE1 4.3Å; I454-F466 HydrophobicContact CG2-CE2 4.22Å; I454-F466 HydrophobicContact CG2-CZ 3.79Å; I454-M659 HydrophobicContact CB-CE 4.07Å; I454-M659 HydrophobicContact CD1-CE 3.99Å; I454-M659 HydrophobicContact CG2-CE 4.11Å; I454-W750 HydrophobicContact CD1-CH2 4.13Å; I454-W750 HydrophobicContact CD1-CZ3 4.33Å; I454-L751 HydrophobicContact CG1-CD2 3.98Å
455E92.4Very high94.3Very high125 Ų12545.7 Ų45.758%0.58425%0.252SS*.THydrogen-bonded Turntrans-68.1-28.7179.9-58.3-160.714800113.2A452 D453 L457 Q462 M659A452-E455 WeakPolarHBondContact O-CB 3.48Å; A452-E455 PolarHBondContact O-N 2.84Å; D453-E455 VanDerWaalsContact C-N 3.27Å; D453-E455 PolarHBondContact O-N 2.77Å; E455-L457 VanDerWaalsContact C-N 3.29Å; E455-L457 PolarHBondContact O-N 3.35Å; E455-Q462 PolarHBondContact O-NE2 3.02Å; E455-M659 HydrophobicContact CG-SD 3.98Å
456D92.8Very high94.4Very high133 Ų13343.7 Ų43.771%0.71124%0.24SC*.THydrogen-bonded Turntrans-76.2-11.3175.2-90.8-21.4000113.1D453 I454D453-D456 PolarHBondContact O-N 2.91Å; I454-D456 VanDerWaalsContact C-N 3.31Å; I454-D456 PolarHBondContact O-N 2.94Å
457L94.4Very high94.3Very high15 Ų1546.4 Ų46.48%0.07925%0.254CS..SBendtrans-74.6150.1176.7-62.2173.4000111.5I454 E455 V461 Q462 L465 R755I454-L457 WeakPolarHBondContact O-CB 3.21Å; I454-L457 PolarHBondContact O-N 3.37Å; E455-L457 VanDerWaalsContact C-N 3.29Å; E455-L457 PolarHBondContact O-N 3.35Å; L457-V461 HydrophobicContact CB-CB 4.45Å; L457-V461 HydrophobicContact CB-CG1 4.35Å; L457-V461 HydrophobicContact CD1-CG1 4.3Å; L457-Q462 HydrophobicContact CB-CG 3.9Å; L457-Q462 WeakPolarHBondContact O-CG 3.42Å; L457-Q462 PolarHBondContact O-NE2 2.73Å; L457-L465 HydrophobicContact CD1-CD1 3.66Å; L457-R755 HydrophobicContact CD2-CG 4.03Å
458P95.6Very high94.3Very high56 Ų5647.6 Ų47.636%0.36426%0.259SS..  trans-57.5143.1173.2-23.633.2000112A460 V461 Q462P458-A460 VanDerWaalsContact C-N 3.34Å; P458-A460 PolarHBondContact O-N 2.82Å; P458-A460 VanDerWaalsContact O-N 3.14Å; P458-V461 HydrophobicContact CB-CB 4.44Å; P458-V461 HydrophobicContact CB-CG2 4.11Å; P458-V461 HydrophobicContact CG-CG2 4.21Å; P458-V461 CarbonylContact O-C 3.56Å; P458-V461 WeakPolarHBondContact O-CA 3.37Å; P458-V461 VanDerWaalsContact O-CB 3.32Å; P458-V461 WeakPolarHBondContact O-CB 3.11Å; P458-V461 PolarHBondContact O-N 2.67Å; P458-Q462 PolarHBondContact O-N 3.49Å
459P95.2Very high94.3Very high102 Ų10247.4 Ų47.466%0.66226%0.258SS*.Hα-helixtrans-54.3-40.2-172.2-31.336.4000115.7V461 Q462 E463P459-V461 PolarHBondContact O-N 3.24Å; P459-Q462 WeakPolarHBondContact O-CB 3.36Å; P459-Q462 PolarHBondContact O-N 3.09Å; P459-E463 PolarHBondContact O-N 3.12Å
460A94.7Very high94.4Very high75 Ų7547.1 Ų47.162%0.6226%0.256SS*.Hα-helixtrans-68.3-22.1175.700000113.6P458 K464P458-A460 VanDerWaalsContact C-N 3.34Å; P458-A460 PolarHBondContact O-N 2.82Å; P458-A460 VanDerWaalsContact O-N 3.14Å; A460-K464 WeakPolarHBondContact O-CB 3.23Å; A460-K464 PolarHBondContact O-N 3.12Å
461V95.3Very high94.4Very high9 Ų948.1 Ų48.16%0.05526%0.262CS..Hα-helixtrans-82.6-36.6172.5-178.50000110.4L457 P458 P459 L465 Y754 I757L457-V461 HydrophobicContact CB-CB 4.45Å; L457-V461 HydrophobicContact CB-CG1 4.35Å; L457-V461 HydrophobicContact CD1-CG1 4.3Å; P458-V461 HydrophobicContact CB-CB 4.44Å; P458-V461 HydrophobicContact CB-CG2 4.11Å; P458-V461 HydrophobicContact CG-CG2 4.21Å; P458-V461 CarbonylContact O-C 3.56Å; P458-V461 WeakPolarHBondContact O-CA 3.37Å; P458-V461 VanDerWaalsContact O-CB 3.32Å; P458-V461 WeakPolarHBondContact O-CB 3.11Å; P458-V461 PolarHBondContact O-N 2.67Å; P459-V461 PolarHBondContact O-N 3.24Å; V461-L465 VanDerWaalsContact O-CB 3.3Å; V461-L465 WeakPolarHBondContact O-CB 3.17Å; V461-L465 PolarHBondContact O-N 3.24Å; V461-Y754 HydrophobicContact CG1-CD1 4.28Å; V461-I757 HydrophobicContact CG1-CB 4.5Å; V461-I757 HydrophobicContact CG1-CD1 4.36Å; V461-I757 HydrophobicContact CG2-CB 4.21Å; V461-I757 HydrophobicContact CG2-CG2 4.03Å
462Q95.3Very high94.4Very high48 Ų4852.7 Ų52.722%0.22428%0.278CS..Hα-helixtrans-60.8-49.1170.5-61.8-175.115.800111.6I454 E455 L457 P458 P459 K464 L465 F466I454-Q462 HydrophobicContact CG2-CG 4.48Å; I454-Q462 VanDerWaalsContact O-CG 3.28Å; I454-Q462 WeakPolarHBondContact O-CG 3.38Å; I454-Q462 PolarHBondContact O-NE2 2.96Å; E455-Q462 PolarHBondContact O-NE2 3.02Å; L457-Q462 HydrophobicContact CB-CG 3.9Å; L457-Q462 WeakPolarHBondContact O-CG 3.42Å; L457-Q462 PolarHBondContact O-NE2 2.73Å; P458-Q462 PolarHBondContact O-N 3.49Å; P459-Q462 WeakPolarHBondContact O-CB 3.36Å; P459-Q462 PolarHBondContact O-N 3.09Å; Q462-K464 VanDerWaalsContact C-N 3.34Å; Q462-K464 PolarHBondContact O-N 2.99Å; Q462-L465 PolarHBondContact O-N 2.81Å; Q462-F466 HydrophobicContact CB-CD2 4.39Å; Q462-F466 HydrophobicContact CB-CE2 4.25Å; Q462-F466 WeakPolarHBondContact O-CD2 3.49Å; Q462-F466 WeakPolarHBondContact O-CG 3.43Å; Q462-F466 PolarHBondContact O-N 3.07Å
463E94.6Very high94.4Very high124 Ų12458.1 Ų58.158%0.57931%0.306SS*.Hα-helixtrans-56.8-48.3178.5-176.5172.2-148.900111.1P459 F466 D467 R472P459-E463 PolarHBondContact O-N 3.12Å; E463-F466 PolarHBondContact O-N 2.95Å; E463-D467 PolarHBondContact O-N 3.31Å; E463-R472 PolarHBondContact O-NH2 2.94Å
464K93.6Very high94.5Very high88 Ų8856 Ų5638%0.38330%0.295SS..Hα-helixtrans-58.5-47.8174.1-177.1-172.1169.8-171.30112.6A460 Q462 F466 D467 E468 I757A460-K464 WeakPolarHBondContact O-CB 3.23Å; A460-K464 PolarHBondContact O-N 3.12Å; Q462-K464 VanDerWaalsContact C-N 3.34Å; Q462-K464 PolarHBondContact O-N 2.99Å; K464-F466 VanDerWaalsContact C-N 3.32Å; K464-F466 PolarHBondContact O-N 3.08Å; K464-D467 PolarHBondContact O-N 3.1Å; K464-E468 WeakPolarHBondContact CE-OE1 3.4Å; K464-E468 IonicContact NZ-OE1 2.65Å; K464-E468 PolarHBondContact NZ-OE1 2.81Å; K464-E468 PolarHBondContact O-N 3.42Å; K464-I757 HydrophobicContact CD-CD1 4.07Å
465L95.9Very high94.6Very high0 Ų056.8 Ų56.80%030%0.299CS..Hα-helixtrans-59.1-45.4178.7177.1158.7000110.8I454 L457 V461 Q462 E468 V469 W750 L751 Y754I454-L465 HydrophobicContact CD1-CD1 4.43Å; I454-L465 HydrophobicContact CD1-CD2 3.94Å; I454-L465 HydrophobicContact CG1-CD1 3.97Å; I454-L465 HydrophobicContact CG1-CD2 4.24Å; I454-L465 HydrophobicContact CG2-CD2 4.22Å; L457-L465 HydrophobicContact CD1-CD1 3.66Å; V461-L465 VanDerWaalsContact O-CB 3.3Å; V461-L465 WeakPolarHBondContact O-CB 3.17Å; V461-L465 PolarHBondContact O-N 3.24Å; Q462-L465 PolarHBondContact O-N 2.81Å; L465-E468 PolarHBondContact O-N 3.08Å; L465-V469 HydrophobicContact CD2-CG1 4.07Å; L465-V469 WeakPolarHBondContact O-CB 3.37Å; L465-V469 VanDerWaalsContact O-CG1 3.29Å; L465-V469 WeakPolarHBondContact O-CG1 3.41Å; L465-V469 PolarHBondContact O-N 3.04Å; L465-W750 HydrophobicContact CD1-CH2 4.01Å; L465-W750 HydrophobicContact CD1-CZ2 4.21Å; L465-W750 HydrophobicContact CD2-CH2 3.82Å; L465-W750 HydrophobicContact CD2-CZ2 3.99Å; L465-W750 HydrophobicContact CG-CH2 4.03Å; L465-W750 HydrophobicContact CG-CZ2 3.9Å; L465-L751 HydrophobicContact CD1-CD2 4.31Å; L465-Y754 HydrophobicContact CB-CD1 3.83Å; L465-Y754 HydrophobicContact CB-CE1 3.73Å; L465-Y754 HydrophobicContact CB-CG 4.3Å; L465-Y754 HydrophobicContact CD1-CD1 4.26Å; L465-Y754 HydrophobicContact CD1-CD2 3.71Å; L465-Y754 HydrophobicContact CD1-CE2 3.99Å; L465-Y754 HydrophobicContact CD1-CG 3.86Å; L465-Y754 HydrophobicContact CG-CD1 4.32Å; L465-Y754 HydrophobicContact CG-CD2 4.26Å; L465-Y754 HydrophobicContact CG-CE1 4.14Å; L465-Y754 HydrophobicContact CG-CE2 4.08Å; L465-Y754 HydrophobicContact CG-CG 4.38Å
466F96.7Very high94.7Very high27 Ų2754.9 Ų54.912%0.11829%0.288CS..Hα-helixtrans-65.5-37.1176.8-71.6-52.1000112.5I454 Q462 E463 K464 L470 Y500 M659I454-F466 HydrophobicContact CG2-CE1 4.3Å; I454-F466 HydrophobicContact CG2-CE2 4.22Å; I454-F466 HydrophobicContact CG2-CZ 3.79Å; Q462-F466 HydrophobicContact CB-CD2 4.39Å; Q462-F466 HydrophobicContact CB-CE2 4.25Å; Q462-F466 WeakPolarHBondContact O-CD2 3.49Å; Q462-F466 WeakPolarHBondContact O-CG 3.43Å; Q462-F466 PolarHBondContact O-N 3.07Å; E463-F466 PolarHBondContact O-N 2.95Å; K464-F466 VanDerWaalsContact C-N 3.32Å; K464-F466 PolarHBondContact O-N 3.08Å; F466-L470 HydrophobicContact CB-CD1 3.93Å; F466-L470 HydrophobicContact CB-CG 4.32Å; F466-L470 HydrophobicContact CD1-CD1 3.64Å; F466-L470 HydrophobicContact CD1-CG 4.07Å; F466-L470 HydrophobicContact CG-CD1 4.1Å; F466-L470 WeakPolarHBondContact O-CB 3.21Å; F466-L470 WeakPolarHBondContact O-CG 3.02Å; F466-L470 PolarHBondContact O-N 3.45Å; F466-Y500 HydrophobicContact CE1-CD1 4.17Å; F466-Y500 AromaticContact CE1-CE1 3.85Å; F466-Y500 HydrophobicContact CE1-CE1 3.85Å; F466-Y500 HydrophobicContact CZ-CE1 4.16Å; F466-M659 HydrophobicContact CE1-CE 4.15Å; F466-M659 HydrophobicContact CZ-CE 3.97Å
467D93.1Very high94.7Very high73 Ų7348.8 Ų48.839%0.3926%0.256SS..Hα-helixtrans-65.9-36172.9-79.1-9000112.7K408 E463 K464 R472K408-D467 PolarHBondContact NZ-O 3.18Å; E463-D467 PolarHBondContact O-N 3.31Å; K464-D467 PolarHBondContact O-N 3.1Å; D467-R472 IonicContact OD1-CZ 3.3Å; D467-R472 IonicContact OD1-NE 3.84Å; D467-R472 PolarHBondContact OD1-NE 3.49Å; D467-R472 IonicContact OD1-NH2 2.91Å; D467-R472 PolarHBondContact OD1-NH2 2.93Å
468E94.1Very high94.8Very high40 Ų4048.1 Ų48.119%0.18725%0.252CS..Hα-helixtrans-79.1-26.3179.3-75.7-179.4176.800113.5K408 C409 K464 L465 Y754K408-E468 CarbonylContact C-O 3.51Å; K408-E468 VanDerWaalsContact CA-O 3.27Å; K408-E468 WeakPolarHBondContact CA-O 3.12Å; K408-E468 VanDerWaalsContact CD-O 3.29Å; K408-E468 WeakPolarHBondContact CD-O 3.39Å; C409-E468 HydrophobicContact CB-CB 3.98Å; C409-E468 HydrophobicContact CB-CG 4.43Å; C409-E468 PolarHBondContact N-O 2.95Å; K464-E468 WeakPolarHBondContact CE-OE1 3.4Å; K464-E468 IonicContact NZ-OE1 2.65Å; K464-E468 PolarHBondContact NZ-OE1 2.81Å; K464-E468 PolarHBondContact O-N 3.42Å; L465-E468 PolarHBondContact O-N 3.08Å; E468-Y754 WeakPolarHBondContact OE2-CE1 3.49Å; E468-Y754 PolarHBondContact OE2-OH 3Å
469V95.9Very high94.8Very high3 Ų348 Ų482%0.01825%0.247CC..Hα-helixtrans-106.7-29.8-175.882.90000115.2I410 L465 W503 W750I410-V469 HydrophobicContact CG2-CG2 4.05Å; L465-V469 HydrophobicContact CD2-CG1 4.07Å; L465-V469 WeakPolarHBondContact O-CB 3.37Å; L465-V469 VanDerWaalsContact O-CG1 3.29Å; L465-V469 WeakPolarHBondContact O-CG1 3.41Å; L465-V469 PolarHBondContact O-N 3.04Å; V469-W503 PolarHBondContact O-N 3.3Å; V469-W750 HydrophobicContact CB-CZ2 3.87Å; V469-W750 HydrophobicContact CG1-CZ2 4.2Å; V469-W750 HydrophobicContact CG2-CH2 4.38Å; V469-W750 HydrophobicContact CG2-CZ2 3.68Å
470L96.4Very high94.7Very high4 Ų449.5 Ų49.52%0.02125%0.245CC..BIsolated β-bridgetrans-93.5155.4-175.2-55.9-177.6000113K408 F466 Y500 A501 L502K408-L470 PolarHBondContact NZ-O 2.93Å; F466-L470 HydrophobicContact CB-CD1 3.93Å; F466-L470 HydrophobicContact CB-CG 4.32Å; F466-L470 HydrophobicContact CD1-CD1 3.64Å; F466-L470 HydrophobicContact CD1-CG 4.07Å; F466-L470 HydrophobicContact CG-CD1 4.1Å; F466-L470 WeakPolarHBondContact O-CB 3.21Å; F466-L470 WeakPolarHBondContact O-CG 3.02Å; F466-L470 PolarHBondContact O-N 3.45Å; L470-Y500 HydrophobicContact CD1-CD1 3.92Å; L470-Y500 HydrophobicContact CD2-CD1 4.36Å; L470-A501 CarbonylContact C-O 3.44Å; L470-A501 WeakPolarHBondContact CA-O 3.47Å; L470-L502 HydrophobicContact CD2-CD2 4.02Å
471D94.9Very high94.5Very high21 Ų2150.3 Ų50.311%0.11224%0.236CC..  trans-91.297.1161.6-163-48.2000109.8D473 V474 Q475 A501 W503D471-D473 VanDerWaalsContact C-N 3.29Å; D471-D473 PolarHBondContact O-N 3.49Å; D471-D473 PolarHBondContact OD1-N 2.83Å; D471-D473 VanDerWaalsContact OD1-N 3.11Å; D471-V474 HydrophobicContact CB-CB 3.96Å; D471-V474 HydrophobicContact CB-CG2 4.03Å; D471-V474 VanDerWaalsContact CG-CG2 3.4Å; D471-V474 PolarHBondContact O-N 2.86Å; D471-V474 WeakPolarHBondContact OD1-CG2 3.46Å; D471-V474 PolarHBondContact OD1-N 3.03Å; D471-Q475 WeakPolarHBondContact O-CB 3.44Å; D471-Q475 PolarHBondContact O-N 3.34Å; D471-A501 PolarHBondContact N-O 3.45Å; D471-W503 HydrophobicContact CB-CB 4.26Å
472R93.6Very high94.2Very high103 Ų10351.5 Ų51.539%0.38925%0.245SC..Hα-helixtrans-63.8-32.6-179.3-62.9-64.3-158.6178.57.2112.5E463 D467 K476E463-R472 PolarHBondContact O-NH2 2.94Å; D467-R472 IonicContact OD1-CZ 3.3Å; D467-R472 IonicContact OD1-NE 3.84Å; D467-R472 PolarHBondContact OD1-NE 3.49Å; D467-R472 IonicContact OD1-NH2 2.91Å; D467-R472 PolarHBondContact OD1-NH2 2.93Å; R472-K476 WeakPolarHBondContact O-CB 3.45Å; R472-K476 PolarHBondContact O-N 2.87Å
473D91.8Very high94.2Very high119 Ų11952.6 Ų52.664%0.63626%0.256SS*.Hα-helixtrans-73.3-42179.6-78.4-27.3000110.9D471 K476 E477D471-D473 VanDerWaalsContact C-N 3.29Å; D471-D473 PolarHBondContact O-N 3.49Å; D471-D473 PolarHBondContact OD1-N 2.83Å; D471-D473 VanDerWaalsContact OD1-N 3.11Å; D473-K476 PolarHBondContact O-N 2.83Å; D473-E477 PolarHBondContact O-N 2.67Å
474V93.6Very high94.3Very high9 Ų947.7 Ų47.76%0.05523%0.233CC..Hα-helixtrans-67.2-44.4174.9176.50000111.2D471 K476 E477 L478 A501 T649D471-V474 HydrophobicContact CB-CB 3.96Å; D471-V474 HydrophobicContact CB-CG2 4.03Å; D471-V474 VanDerWaalsContact CG-CG2 3.4Å; D471-V474 PolarHBondContact O-N 2.86Å; D471-V474 WeakPolarHBondContact OD1-CG2 3.46Å; D471-V474 PolarHBondContact OD1-N 3.03Å; V474-K476 VanDerWaalsContact C-N 3.3Å; V474-K476 PolarHBondContact O-N 3.04Å; V474-E477 PolarHBondContact O-N 2.9Å; V474-L478 HydrophobicContact CG1-CD1 3.75Å; V474-L478 HydrophobicContact CG1-CG 4.31Å; V474-L478 WeakPolarHBondContact O-CB 3.2Å; V474-L478 WeakPolarHBondContact O-CG 3.36Å; V474-L478 PolarHBondContact O-N 3.24Å; V474-A501 HydrophobicContact CB-CB 4.33Å; V474-A501 HydrophobicContact CG1-CB 3.99Å; V474-T649 HydrophobicContact CG1-CG2 4.06Å; V474-T649 WeakPolarHBondContact CG2-OG1 3.46Å
475Q96.4Very high94.5Very high18 Ų1843.6 Ų43.68%0.08422%0.216CC..Hα-helixtrans-55.4-48.2174.5-17078.233.300110.5D471 L478 E479 N486 L499 A501D471-Q475 WeakPolarHBondContact O-CB 3.44Å; D471-Q475 PolarHBondContact O-N 3.34Å; Q475-L478 PolarHBondContact O-N 3.11Å; Q475-E479 PolarHBondContact NE2-OE2 3.41Å; Q475-E479 VanDerWaalsContact O-CB 3.25Å; Q475-E479 WeakPolarHBondContact O-CB 3.27Å; Q475-E479 PolarHBondContact O-N 2.96Å; Q475-N486 PolarHBondContact NE2-ND2 3.45Å; Q475-L499 PolarHBondContact NE2-O 3.09Å; Q475-A501 HydrophobicContact CB-CB 4.42Å
476K94.9Very high94.6Very high85 Ų8544.9 Ų44.937%0.3722%0.223SC..Hα-helixtrans-63-43.2179.8-175.2177.1-169.881.40112.8R472 D473 V474 L478 E480 E481R472-K476 WeakPolarHBondContact O-CB 3.45Å; R472-K476 PolarHBondContact O-N 2.87Å; D473-K476 PolarHBondContact O-N 2.83Å; V474-K476 VanDerWaalsContact C-N 3.3Å; V474-K476 PolarHBondContact O-N 3.04Å; K476-L478 VanDerWaalsContact C-N 3.34Å; K476-L478 PolarHBondContact O-N 3.05Å; K476-E480 HydrophobicContact CG-CB 4.1Å; K476-E480 HydrophobicContact CG-CG 4.29Å; K476-E480 IonicContact NZ-OE1 3.39Å; K476-E480 PolarHBondContact NZ-OE1 3.18Å; K476-E480 IonicContact NZ-OE2 3.77Å; K476-E480 PolarHBondContact NZ-OE2 3.06Å; K476-E480 WeakPolarHBondContact O-CA 3.15Å; K476-E480 WeakPolarHBondContact O-CB 3.29Å; K476-E480 PolarHBondContact O-N 3.1Å; K476-E481 PolarHBondContact O-N 3.4Å
477E92.9Very high94.6Very high6 Ų646.6 Ų46.63%0.02823%0.228CC..Hα-helixtrans-68.9-31.6178.8-176.3165.8-131.500112.9D473 V474 V609 T649 R650D473-E477 PolarHBondContact O-N 2.67Å; V474-E477 PolarHBondContact O-N 2.9Å; E477-V609 HydrophobicContact CG-CG1 3.95Å; E477-T649 HydrophobicContact CB-CG2 4.11Å; E477-T649 HydrophobicContact CG-CG2 4.06Å; E477-T649 VanDerWaalsContact OE2-CB 3.25Å; E477-T649 WeakPolarHBondContact OE2-CB 3.09Å; E477-T649 WeakPolarHBondContact OE2-CG2 3.31Å; E477-R650 VanDerWaalsContact CD-CZ 3.44Å; E477-R650 IonicContact OE1-CZ 2.71Å; E477-R650 IonicContact OE1-NE 3.07Å; E477-R650 PolarHBondContact OE1-NE 3.06Å; E477-R650 IonicContact OE1-NH2 3.49Å; E477-R650 PolarHBondContact OE1-NH2 2.98Å; E477-R650 VanDerWaalsContact OE2-CD 3.31Å; E477-R650 WeakPolarHBondContact OE2-CD 3.45Å; E477-R650 WeakPolarHBondContact OE2-CG 3.41Å; E477-R650 IonicContact OE2-CZ 2.67Å; E477-R650 IonicContact OE2-NE 3.94Å; E477-R650 PolarHBondContact OE2-NE 2.59Å; E477-R650 IonicContact OE2-NH2 2.63Å
478L95.5Very high94.8Very high0 Ų043.7 Ų43.70%021%0.214CC..Hα-helixtrans-87.7-16.5-179.8-64.2179.6000114.9V474 Q475 K476 S482 I484 I485 V609 T649V474-L478 HydrophobicContact CG1-CD1 3.75Å; V474-L478 HydrophobicContact CG1-CG 4.31Å; V474-L478 WeakPolarHBondContact O-CB 3.2Å; V474-L478 WeakPolarHBondContact O-CG 3.36Å; V474-L478 PolarHBondContact O-N 3.24Å; Q475-L478 PolarHBondContact O-N 3.11Å; K476-L478 VanDerWaalsContact C-N 3.34Å; K476-L478 PolarHBondContact O-N 3.05Å; L478-S482 CarbonylContact C-O 3.47Å; L478-I484 HydrophobicContact CD2-CB 4.26Å; L478-I484 HydrophobicContact CD2-CD1 3.85Å; L478-I484 HydrophobicContact CD2-CG2 4.12Å; L478-I484 WeakPolarHBondContact O-CA 3.2Å; L478-I484 WeakPolarHBondContact O-CB 3.38Å; L478-I484 PolarHBondContact O-N 2.68Å; L478-I485 HydrophobicContact CB-CD1 3.86Å; L478-I485 HydrophobicContact CB-CG1 3.85Å; L478-I485 HydrophobicContact CB-CG2 4.36Å; L478-I485 HydrophobicContact CD1-CD1 4.48Å; L478-I485 PolarHBondContact O-N 3.41Å; L478-V609 HydrophobicContact CD2-CG1 4.45Å; L478-T649 HydrophobicContact CD1-CG2 4.21Å; L478-T649 HydrophobicContact CD2-CG2 3.56Å; L478-T649 HydrophobicContact CG-CG2 3.64Å
479E95.6Very high94.9Very high53 Ų5348.1 Ų48.125%0.24824%0.238CC..Hα-helixtrans-119.7-46.8-176.3-173170.9168.200113.5Q475 I485 N486 R498Q475-E479 PolarHBondContact NE2-OE2 3.41Å; Q475-E479 VanDerWaalsContact O-CB 3.25Å; Q475-E479 WeakPolarHBondContact O-CB 3.27Å; Q475-E479 PolarHBondContact O-N 2.96Å; E479-I485 HydrophobicContact CB-CG1 4.09Å; E479-N486 HydrophobicContact CG-CB 3.95Å; E479-N486 PolarHBondContact OE2-ND2 3.27Å; E479-R498 VanDerWaalsContact CD-NH2 3.26Å; E479-R498 IonicContact OE1-CZ 3.71Å; E479-R498 VanDerWaalsContact OE1-CZ 3.24Å; E479-R498 IonicContact OE1-NH1 2.72Å; E479-R498 PolarHBondContact OE1-NH1 2.88Å; E479-R498 IonicContact OE1-NH2 3.42Å; E479-R498 PolarHBondContact OE1-NH2 3.45Å; E479-R498 IonicContact OE2-CZ 3.47Å; E479-R498 IonicContact OE2-NH1 3.45Å; E479-R498 IonicContact OE2-NH2 2.64Å; E479-R498 PolarHBondContact OE2-NH2 3.18Å
480E93.2Very high94.9Very high135 Ų13549.1 Ų49.163%0.63124%0.243SC*.THydrogen-bonded Turntrans-91.2-48.2-177.6-62.4-179.7-14200113K476 S482K476-E480 HydrophobicContact CG-CB 4.1Å; K476-E480 HydrophobicContact CG-CG 4.29Å; K476-E480 IonicContact NZ-OE1 3.39Å; K476-E480 PolarHBondContact NZ-OE1 3.18Å; K476-E480 IonicContact NZ-OE2 3.77Å; K476-E480 PolarHBondContact NZ-OE2 3.06Å; K476-E480 WeakPolarHBondContact O-CA 3.15Å; K476-E480 WeakPolarHBondContact O-CB 3.29Å; K476-E480 PolarHBondContact O-N 3.1Å; E480-S482 VanDerWaalsContact C-N 3.3Å; E480-S482 PolarHBondContact O-N 2.94Å
481E90.6Very high94.8Very high91 Ų9149.3 Ų49.343%0.42524%0.244SC..SBendtrans-75.5-19.7-177-62.2-167.6-168.400112.9K476 R650K476-E481 PolarHBondContact O-N 3.4Å; E481-R650 IonicContact OE1-NH2 3.63Å; E481-R650 PolarHBondContact OE1-NH2 3.41Å; E481-R650 IonicContact OE2-NH2 3.79Å; E481-R650 PolarHBondContact OE2-NH2 3.3Å
482S89.3Confident94.6Very high34 Ų3448.8 Ų48.824%0.23824%0.243CC..SBendtrans-161.3135.8179.2-71.50000110L478 E480 I484L478-S482 CarbonylContact C-O 3.47Å; E480-S482 VanDerWaalsContact C-N 3.3Å; E480-S482 PolarHBondContact O-N 2.94Å; S482-I484 VanDerWaalsContact C-N 3.34Å; S482-I484 PolarHBondContact O-N 3.31Å
483P94.9Very high94.4Very high71 Ų7148.4 Ų48.446%0.46125%0.252SS..SBendtrans-7977.6-176.831.8-35.6000111.5W487 S689P483-W487 HydrophobicContact CB-CB 3.69Å; P483-W487 HydrophobicContact CB-CG 4.32Å; P483-S689 WeakPolarHBondContact O-CB 3.34Å; P483-S689 PolarHBondContact O-OG 3.41Å
484I96.7Very high94.4Very high21 Ų2148.3 Ų48.311%0.10824%0.243CC..SBendtrans-107.6-46.3-174.9-56.1166.4000110.9L478 S482 W487 V609L478-I484 HydrophobicContact CD2-CB 4.26Å; L478-I484 HydrophobicContact CD2-CD1 3.85Å; L478-I484 HydrophobicContact CD2-CG2 4.12Å; L478-I484 WeakPolarHBondContact O-CA 3.2Å; L478-I484 WeakPolarHBondContact O-CB 3.38Å; L478-I484 PolarHBondContact O-N 2.68Å; S482-I484 VanDerWaalsContact C-N 3.34Å; S482-I484 PolarHBondContact O-N 3.31Å; I484-W487 PolarHBondContact O-NE1 3.26Å; I484-V609 HydrophobicContact CD1-CB 4.31Å; I484-V609 HydrophobicContact CD1-CG1 3.65Å
485I98.1Very high94.3Very high3 Ų349.8 Ų49.82%0.01525%0.25CS..SBendtrans-112.5164167.470.4179.6000110.2L478 E479 W487 Y607 L656L478-I485 HydrophobicContact CB-CD1 3.86Å; L478-I485 HydrophobicContact CB-CG1 3.85Å; L478-I485 HydrophobicContact CB-CG2 4.36Å; L478-I485 HydrophobicContact CD1-CD1 4.48Å; L478-I485 PolarHBondContact O-N 3.41Å; E479-I485 HydrophobicContact CB-CG1 4.09Å; I485-W487 PolarHBondContact O-N 3.26Å; I485-Y607 HydrophobicContact CG2-CG 4.22Å; I485-L656 HydrophobicContact CD1-CD2 3.81Å; I485-L656 HydrophobicContact CG2-CD1 3.73Å; I485-L656 HydrophobicContact CG2-CD2 4.43Å
486N97.8Very high94.1Very high27 Ų2752.3 Ų52.314%0.14426%0.264CS..SBendtrans55.30.7170.2-59.7-20.2000117.8Q475 E479 S488 L499Q475-N486 PolarHBondContact NE2-ND2 3.45Å; E479-N486 HydrophobicContact CG-CB 3.95Å; E479-N486 PolarHBondContact OE2-ND2 3.27Å; N486-S488 PolarHBondContact O-N 2.92Å; N486-L499 PolarHBondContact ND2-O 3.35Å; N486-L499 PolarHBondContact OD1-N 3.33Å
487W97.4Very high94.1Very high62 Ų6248.5 Ų48.524%0.23525%0.248CC..  trans-63.2-12.7-178.557.1-99.9000114.8P483 I484 I485 P685 R691 I727P483-W487 HydrophobicContact CB-CB 3.69Å; P483-W487 HydrophobicContact CB-CG 4.32Å; I484-W487 PolarHBondContact O-NE1 3.26Å; I485-W487 PolarHBondContact O-N 3.26Å; W487-P685 HydrophobicContact CZ2-CB 4.1Å; W487-P685 HydrophobicContact CZ2-CG 4.39Å; W487-R691 VanDerWaalsContact CZ3-NH1 3.26Å; W487-I727 HydrophobicContact CH2-CD1 4.37Å; W487-I727 HydrophobicContact CH2-CG2 4.45Å; W487-I727 HydrophobicContact CZ3-CD1 4.48Å
488S97.3Very high94.3Very high12 Ų1251.8 Ų51.88%0.08426%0.261CS..  trans-102.5109.4175.1-173.90000110.8N486 E490 L491 G492 I727N486-S488 PolarHBondContact O-N 2.92Å; S488-E490 PolarHBondContact O-N 2.74Å; S488-L491 PolarHBondContact O-N 2.91Å; S488-G492 PolarHBondContact O-N 3.02Å; S488-I727 WeakPolarHBondContact OG-CD1 3.14Å
489L95.4Very high94.5Very high133 Ų13352 Ų5270%0.69626%0.262SS*.Hα-helixtrans-56.6-30.9172.6-172.869.9000112.2T493 R494L489-T493 HydrophobicContact CD1-CG2 4.27Å; L489-T493 WeakPolarHBondContact O-CB 3.22Å; L489-T493 PolarHBondContact O-N 2.8Å; L489-T493 VanDerWaalsContact O-N 3.14Å; L489-R494 PolarHBondContact O-N 2.98Å
490E96.1Very high94.6Very high25 Ų2551.2 Ų51.212%0.11726%0.257CS..Hα-helixtrans-62-45.8173.4171.8174.3-125.800111.9S488 R494 L495 T723 E724 G725 I727S488-E490 PolarHBondContact O-N 2.74Å; E490-R494 WeakPolarHBondContact O-CB 3.47Å; E490-R494 PolarHBondContact O-N 2.94Å; E490-R494 IonicContact OE1-CZ 3.52Å; E490-R494 IonicContact OE1-NH2 2.69Å; E490-R494 PolarHBondContact OE1-NH2 3.26Å; E490-L495 HydrophobicContact CG-CD1 4.11Å; E490-L495 WeakPolarHBondContact O-CG 3.4Å; E490-L495 PolarHBondContact O-N 3.42Å; E490-L495 VanDerWaalsContact O-N 3.09Å; E490-T723 VanDerWaalsContact CD-CB 3.48Å; E490-T723 VanDerWaalsContact CD-OG1 3.29Å; E490-T723 WeakPolarHBondContact OE1-CB 3.35Å; E490-T723 VanDerWaalsContact OE2-CB 3.27Å; E490-T723 WeakPolarHBondContact OE2-CB 3.49Å; E490-T723 PolarHBondContact OE2-OG1 3.15Å; E490-E724 PolarHBondContact OE1-N 3.35Å; E490-G725 PolarHBondContact OE1-N 2.93Å; E490-G725 WeakPolarHBondContact OE2-CA 3.45Å; E490-G725 PolarHBondContact OE2-N 2.82Å; E490-I727 WeakPolarHBondContact OE2-CD1 3.46Å
491L95.1Very high94.9Very high8 Ų844.8 Ų44.84%0.04223%0.227CC..Hα-helixtrans-77-48.9-177.7-55.3-175.9000110.8S488 T493 L495 D496 S497 F683 P685 T723 I727 V729S488-L491 PolarHBondContact O-N 2.91Å; L491-T493 PolarHBondContact O-N 2.99Å; L491-L495 HydrophobicContact CD2-CD1 4.16Å; L491-L495 CarbonylContact O-C 3.58Å; L491-D496 PolarHBondContact O-N 2.71Å; L491-S497 WeakPolarHBondContact O-CA 3.49Å; L491-S497 WeakPolarHBondContact O-CB 3.3Å; L491-S497 PolarHBondContact O-N 2.94Å; L491-F683 HydrophobicContact CD2-CB 4.12Å; L491-P685 HydrophobicContact CD1-CB 3.86Å; L491-P685 HydrophobicContact CD1-CG 3.94Å; L491-T723 HydrophobicContact CD2-CG2 3.85Å; L491-I727 HydrophobicContact CD1-CD1 4.37Å; L491-I727 HydrophobicContact CD1-CG2 4.41Å; L491-I727 HydrophobicContact CD2-CD1 4.36Å; L491-I727 HydrophobicContact CG-CD1 4.16Å; L491-V729 HydrophobicContact CD1-CG1 4.1Å; L491-V729 HydrophobicContact CD2-CG1 3.88Å
492G91Very high95.2Very high9 Ų940.8 Ų40.89%0.09321%0.208CC..Hα-helixtrans-84.4-3-170.900000116.4S488S488-G492 PolarHBondContact O-N 3.02Å
493T90Very high95.5Very high95 Ų9540.6 Ų40.658%0.58320%0.202SC*.Hα-helixtrans-150.4-7.5-175.9-44.70000114.7L489 L491L489-T493 HydrophobicContact CD1-CG2 4.27Å; L489-T493 WeakPolarHBondContact O-CB 3.22Å; L489-T493 PolarHBondContact O-N 2.8Å; L489-T493 VanDerWaalsContact O-N 3.14Å; L491-T493 PolarHBondContact O-N 2.99Å
494R90.6Very high95.2Very high117 Ų11737.3 Ų37.344%0.44218%0.181SC..Hα-helixtrans-117.7-20.2174.3-166-173.973.298.1-13.3113.2L489 E490 E724L489-R494 PolarHBondContact O-N 2.98Å; E490-R494 WeakPolarHBondContact O-CB 3.47Å; E490-R494 PolarHBondContact O-N 2.94Å; E490-R494 IonicContact OE1-CZ 3.52Å; E490-R494 IonicContact OE1-NH2 2.69Å; E490-R494 PolarHBondContact OE1-NH2 3.26Å; R494-E724 IonicContact CZ-OE2 3.72Å; R494-E724 IonicContact NH1-OE2 2.81Å; R494-E724 PolarHBondContact NH1-OE2 3.4Å; R494-E724 IonicContact NH2-OE2 3.82Å; R494-E724 PolarHBondContact NH2-OE2 3.15Å
495L91.5Very high94.4Very high41 Ų4139.3 Ų39.322%0.21519%0.187CC..SBendtrans-126.216.7176.6-57.9175.6000110.9E490 L491 S497 F683 T723E490-L495 HydrophobicContact CG-CD1 4.11Å; E490-L495 WeakPolarHBondContact O-CG 3.4Å; E490-L495 PolarHBondContact O-N 3.42Å; E490-L495 VanDerWaalsContact O-N 3.09Å; L491-L495 HydrophobicContact CD2-CD1 4.16Å; L491-L495 CarbonylContact O-C 3.58Å; L495-S497 PolarHBondContact O-N 3.22Å; L495-S497 PolarHBondContact O-OG 2.9Å; L495-F683 HydrophobicContact CB-CD2 3.77Å; L495-F683 HydrophobicContact CB-CE2 4.09Å; L495-F683 HydrophobicContact CD1-CD2 4.16Å; L495-F683 HydrophobicContact CD1-CE2 4.44Å; L495-F683 HydrophobicContact CD1-CG 4.24Å; L495-F683 HydrophobicContact CD2-CE2 4.4Å; L495-F683 HydrophobicContact CG-CD2 4.45Å; L495-T723 HydrophobicContact CD1-CG2 4.06Å
496D92.4Very high93Very high71 Ų7142.4 Ų42.438%0.3821%0.206SC..  trans47.123.4171-46.6-37.8000116.1L491 R498 N661L491-D496 PolarHBondContact O-N 2.71Å; D496-R498 PolarHBondContact O-N 2.93Å; D496-R498 VanDerWaalsContact O-N 3.14Å; D496-N661 VanDerWaalsContact CB-OD1 3.24Å; D496-N661 WeakPolarHBondContact CB-OD1 3.45Å; D496-N661 PolarHBondContact OD2-ND2 3.01Å; D496-N661 PolarHBondContact OD2-OD1 3.21Å
497S95.9Very high91.5Very high5 Ų544.9 Ų44.94%0.03523%0.23CC..  trans-92.239.8-175.9-61.60000111.4L491 L495 L499 T682 F683L491-S497 WeakPolarHBondContact O-CA 3.49Å; L491-S497 WeakPolarHBondContact O-CB 3.3Å; L491-S497 PolarHBondContact O-N 2.94Å; L495-S497 PolarHBondContact O-N 3.22Å; L495-S497 PolarHBondContact O-OG 2.9Å; S497-L499 PolarHBondContact O-N 3.42Å; S497-T682 WeakPolarHBondContact OG-CA 3.44Å; S497-F683 WeakPolarHBondContact OG-CD2 3.45Å; S497-F683 PolarHBondContact OG-N 3.46Å
498R97.1Very high90.3Very high75 Ų7542.3 Ų42.328%0.28322%0.223SC..  trans-70.7126.6175.5-177.6172.2178.37314109.2E479 D496 Y500 A658E479-R498 VanDerWaalsContact CD-NH2 3.26Å; E479-R498 IonicContact OE1-CZ 3.71Å; E479-R498 VanDerWaalsContact OE1-CZ 3.24Å; E479-R498 IonicContact OE1-NH1 2.72Å; E479-R498 PolarHBondContact OE1-NH1 2.88Å; E479-R498 IonicContact OE1-NH2 3.42Å; E479-R498 PolarHBondContact OE1-NH2 3.45Å; E479-R498 IonicContact OE2-CZ 3.47Å; E479-R498 IonicContact OE2-NH1 3.45Å; E479-R498 IonicContact OE2-NH2 2.64Å; E479-R498 PolarHBondContact OE2-NH2 3.18Å; D496-R498 PolarHBondContact O-N 2.93Å; D496-R498 VanDerWaalsContact O-N 3.14Å; R498-Y500 HydrophobicContact CB-CE2 4.04Å; R498-Y500 HydrophobicContact CG-CD2 4.49Å; R498-Y500 HydrophobicContact CG-CE2 3.89Å; R498-Y500 VanDerWaalsContact O-CD2 3.3Å; R498-Y500 WeakPolarHBondContact O-CD2 3.44Å; R498-Y500 WeakPolarHBondContact O-CE2 3.2Å; R498-A658 WeakPolarHBondContact O-CA 3.48Å
499L98.4Very high89.9Confident5 Ų542.6 Ų42.63%0.02622%0.224CC..  trans-95.3133.9-180-59.7176.2000111.6Q475 N486 S497 Y607 L656 A658 T682 L684Q475-L499 PolarHBondContact NE2-O 3.09Å; N486-L499 PolarHBondContact ND2-O 3.35Å; N486-L499 PolarHBondContact OD1-N 3.33Å; S497-L499 PolarHBondContact O-N 3.42Å; L499-Y607 HydrophobicContact CD1-CE2 4.24Å; L499-L656 HydrophobicContact CB-CB 4.36Å; L499-L656 HydrophobicContact CB-CD2 4.26Å; L499-L656 HydrophobicContact CD1-CB 4.45Å; L499-A658 HydrophobicContact CD2-CB 4.49Å; L499-T682 HydrophobicContact CD2-CG2 4.22Å; L499-L684 HydrophobicContact CD1-CD2 3.81Å; L499-L684 HydrophobicContact CD2-CD2 3.64Å; L499-L684 HydrophobicContact CG-CD2 4.27Å
500Y98.4Very high89.8Confident35 Ų3537 Ų3714%0.13720%0.196CC..EExtended strand (participates in β ladder)trans-115.3124.8-178.8-64-98.6000109.4L450 F466 L470 R498 L502 L656 V657 M659L450-Y500 HydrophobicContact CD1-CD1 4.23Å; L450-Y500 HydrophobicContact CD1-CD2 4.06Å; L450-Y500 HydrophobicContact CD1-CG 3.79Å; F466-Y500 HydrophobicContact CE1-CD1 4.17Å; F466-Y500 AromaticContact CE1-CE1 3.85Å; F466-Y500 HydrophobicContact CE1-CE1 3.85Å; F466-Y500 HydrophobicContact CZ-CE1 4.16Å; L470-Y500 HydrophobicContact CD1-CD1 3.92Å; L470-Y500 HydrophobicContact CD2-CD1 4.36Å; R498-Y500 HydrophobicContact CB-CE2 4.04Å; R498-Y500 HydrophobicContact CG-CD2 4.49Å; R498-Y500 HydrophobicContact CG-CE2 3.89Å; R498-Y500 VanDerWaalsContact O-CD2 3.3Å; R498-Y500 WeakPolarHBondContact O-CD2 3.44Å; R498-Y500 WeakPolarHBondContact O-CE2 3.2Å; Y500-L502 PolarHBondContact O-N 3.14Å; Y500-L656 WeakPolarHBondContact O-CA 3.37Å; Y500-V657 PolarHBondContact N-O 3.02Å; Y500-V657 PolarHBondContact O-N 3.05Å; Y500-V657 VanDerWaalsContact O-N 3.1Å; Y500-M659 HydrophobicContact CE2-CB 4.33Å
501A98.2Very high89.8Confident0 Ų036 Ų360%019%0.191CC..EExtended strand (participates in β ladder)trans-80.1108.4177.100000110.2L470 D471 V474 Q475 A655 L656L470-A501 CarbonylContact C-O 3.44Å; L470-A501 WeakPolarHBondContact CA-O 3.47Å; D471-A501 PolarHBondContact N-O 3.45Å; V474-A501 HydrophobicContact CB-CB 4.33Å; V474-A501 HydrophobicContact CG1-CB 3.99Å; Q475-A501 HydrophobicContact CB-CB 4.42Å; A501-A655 WeakPolarHBondContact CA-O 3.37Å; A501-L656 HydrophobicContact CB-CD2 4.03Å
502L97.7Very high89.9Confident7 Ų735.6 Ų35.64%0.03719%0.189CC..BIsolated β-bridgetrans-72.9142.2176-57.2-174.1000111.1F448 L450 L470 Y500 Q517 S654 A655 V657F448-L502 HydrophobicContact CD1-CD1 4.16Å; F448-L502 HydrophobicContact CE1-CD1 4.16Å; L450-L502 HydrophobicContact CD2-CD2 4.32Å; L470-L502 HydrophobicContact CD2-CD2 4.02Å; Y500-L502 PolarHBondContact O-N 3.14Å; L502-Q517 HydrophobicContact CD1-CB 4.31Å; L502-S654 WeakPolarHBondContact O-CB 3.31Å; L502-A655 HydrophobicContact CB-CB 4.22Å; L502-A655 HydrophobicContact CD1-CB 4.15Å; L502-A655 HydrophobicContact CG-CB 4.29Å; L502-A655 PolarHBondContact N-O 2.88Å; L502-V657 HydrophobicContact CD1-CG1 4.05Å; L502-V657 HydrophobicContact CD1-CG2 3.95Å; L502-V657 HydrophobicContact CD2-CG2 3.78Å; L502-V657 HydrophobicContact CG-CG1 4.46Å; L502-V657 HydrophobicContact CG-CG2 3.82Å
503W95.1Very high90.2Very high31 Ų3135.1 Ų35.112%0.11718%0.184CC..  trans-76.1142.4173.8179.479.8000111.9Q404 K408 I410 V469 D471 Q517Q404-W503 HydrophobicContact CG-CH2 4.25Å; Q404-W503 HydrophobicContact CG-CZ2 4.47Å; K408-W503 HydrophobicContact CB-CD2 4.23Å; K408-W503 HydrophobicContact CB-CE3 3.84Å; K408-W503 HydrophobicContact CB-CH2 4.31Å; K408-W503 HydrophobicContact CB-CZ3 3.88Å; K408-W503 HydrophobicContact CD-CB 4.18Å; K408-W503 HydrophobicContact CD-CD2 3.82Å; K408-W503 HydrophobicContact CD-CE3 4.19Å; K408-W503 HydrophobicContact CD-CG 3.79Å; K408-W503 HydrophobicContact CG-CD2 3.68Å; K408-W503 HydrophobicContact CG-CE3 3.83Å; K408-W503 HydrophobicContact CG-CG 4.18Å; K408-W503 HydrophobicContact CG-CH2 4.31Å; K408-W503 HydrophobicContact CG-CZ2 4.18Å; K408-W503 HydrophobicContact CG-CZ3 4.14Å; I410-W503 HydrophobicContact CG2-CE3 4.17Å; V469-W503 PolarHBondContact O-N 3.3Å; D471-W503 HydrophobicContact CB-CB 4.26Å; W503-Q517 PolarHBondContact O-NE2 2.99Å
504N89.6Confident90.6Very high2 Ų230.6 Ų30.61%0.01116%0.157CC..  trans-142.5175.1169.563.558.3000111.5T506 C510 D513 S514 Q517 H652 F653N504-T506 PolarHBondContact O-N 2.9Å; N504-C510 WeakPolarHBondContact OD1-CB 3.34Å; N504-D513 HydrophobicContact CB-CB 4.18Å; N504-S514 PolarHBondContact ND2-OG 3.12Å; N504-S514 VanDerWaalsContact ND2-OG 3.09Å; N504-Q517 PolarHBondContact ND2-OE1 2.76Å; N504-H652 PolarHBondContact OD1-CE1 2.86Å; N504-H652 PolarHBondContact OD1-NE2 2.9Å; N504-F653 PolarHBondContact ND2-O 3.04Å
505R79.6Confident90.9Very high63 Ų6325 Ų2524%0.23814%0.136CC..  trans-71.3124.1-177.349.2173.7177.1166.72.8110.9A507 D513 D524R505-A507 PolarHBondContact O-N 3.22Å; R505-D513 WeakPolarHBondContact CG-OD2 3.48Å; R505-D513 IonicContact CZ-OD1 3.69Å; R505-D513 IonicContact CZ-OD2 2.7Å; R505-D513 IonicContact NE-OD1 3.64Å; R505-D513 IonicContact NE-OD2 3.95Å; R505-D513 PolarHBondContact NE-OD2 3.27Å; R505-D513 IonicContact NH2-OD1 2.77Å; R505-D513 PolarHBondContact NH2-OD1 2.95Å; R505-D513 IonicContact NH2-OD2 3.16Å; R505-D513 PolarHBondContact NH2-OD2 2.87Å; R505-D524 VanDerWaalsContact NH2-C 3.3Å; R505-D524 PolarHBondContact NH2-O 2.95Å
506T68.8Low91.2Very high68 Ų6823.3 Ų23.342%0.41713%0.126SC..SBendtrans-73.58.5176.453.60000114.4N504 G508N504-T506 PolarHBondContact O-N 2.9Å; T506-G508 PolarHBondContact O-N 2.97Å
507A65.6Low91.5Very high79 Ų7920.1 Ų20.165%0.65311%0.109SC*.SBendtrans-83.731.3-170.400000114.2R505R505-A507 PolarHBondContact O-N 3.22Å
508G72Confident91.6Very high8 Ų820 Ų208%0.08211%0.109CC..SBendtrans86.3-175.6-163.800000112.2T506 C510 G585T506-G508 PolarHBondContact O-N 2.97Å; G508-C510 PolarHBondContact O-N 3.21Å; G508-G585 WeakPolarHBondContact CA-O 3.22Å
509D88.4Confident91.6Very high17 Ų1716.6 Ų16.69%0.09110%0.096CC..  trans56.1-0.2174.7-60.3-18.6000118.4L511 L512 D513 R530 G585D509-L511 PolarHBondContact O-N 2.78Å; D509-L512 WeakPolarHBondContact O-CB 3.3Å; D509-L512 PolarHBondContact O-N 2.84Å; D509-D513 PolarHBondContact O-N 3.18Å; D509-R530 IonicContact OD1-CZ 2.79Å; D509-R530 IonicContact OD1-NE 3.57Å; D509-R530 IonicContact OD1-NH1 2.72Å; D509-R530 PolarHBondContact OD1-NH1 3.14Å; D509-G585 VanDerWaalsContact OD1-CA 3.27Å; D509-G585 WeakPolarHBondContact OD1-CA 3.29Å; D509-G585 PolarHBondContact OD1-N 2.97Å
510C93.4Very high91.6Very high16 Ų1616.5 Ų16.511%0.10810%0.095CC..Hα-helixtrans-48.7-29.2-175.661.20000116.3N504 G508 S514 F653N504-C510 WeakPolarHBondContact OD1-CB 3.34Å; G508-C510 PolarHBondContact O-N 3.21Å; C510-S514 VanDerWaalsContact O-CB 3.22Å; C510-S514 WeakPolarHBondContact O-CB 3.25Å; C510-S514 PolarHBondContact O-N 3.26Å; C510-S514 PolarHBondContact O-OG 2.92Å; C510-F653 PolarHBondContact SG-N 2.91Å; C510-F653 VanDerWaalsContact SG-N 3.43Å
511L96.8Very high91.5Very high3 Ų315 Ų152%0.0169%0.091CC..Hα-helixtrans-62.6-44.3173.1174.359.5000112D509 S514 V515 L588 H592 I593 L596 L646 F653D509-L511 PolarHBondContact O-N 2.78Å; L511-S514 PolarHBondContact O-N 3.42Å; L511-V515 WeakPolarHBondContact O-CG2 3.18Å; L511-V515 PolarHBondContact O-N 3.3Å; L511-L588 HydrophobicContact CB-CD1 4.48Å; L511-L588 HydrophobicContact CD2-CB 3.78Å; L511-L588 HydrophobicContact CD2-CD1 4Å; L511-H592 HydrophobicContact CD2-CB 4.36Å; L511-I593 HydrophobicContact CD1-CD1 4.49Å; L511-I593 HydrophobicContact CD1-CG1 3.91Å; L511-I593 HydrophobicContact CD2-CG1 3.8Å; L511-L596 HydrophobicContact CD1-CD1 4.47Å; L511-L596 HydrophobicContact CD2-CD1 3.9Å; L511-L596 HydrophobicContact CG-CD1 3.96Å; L511-L646 HydrophobicContact CD1-CD1 3.89Å; L511-F653 HydrophobicContact CB-CD2 3.73Å; L511-F653 HydrophobicContact CB-CE2 4.13Å; L511-F653 HydrophobicContact CB-CG 4.16Å; L511-F653 HydrophobicContact CD1-CD1 3.97Å; L511-F653 HydrophobicContact CD1-CD2 4.18Å; L511-F653 HydrophobicContact CD1-CE1 4.06Å; L511-F653 HydrophobicContact CD1-CE2 4.26Å; L511-F653 HydrophobicContact CD1-CG 4.03Å; L511-F653 HydrophobicContact CD1-CZ 4.2Å; L511-F653 HydrophobicContact CG-CD2 4.47Å
512L97.4Very high91.3Very high0 Ų015 Ų150%09%0.091CC..Hα-helixtrans-76-40.6-175.9-58.1168.5000110.5D509 V515 L516 D524 L529 R530 L533 L588 L596D509-L512 WeakPolarHBondContact O-CB 3.3Å; D509-L512 PolarHBondContact O-N 2.84Å; L512-V515 PolarHBondContact O-N 3Å; L512-L516 PolarHBondContact O-N 3Å; L512-D524 HydrophobicContact CB-CB 4.16Å; L512-L529 HydrophobicContact CB-CD2 4.38Å; L512-L529 HydrophobicContact CD2-CB 4.48Å; L512-L529 HydrophobicContact CD2-CD2 4.05Å; L512-L529 HydrophobicContact CD2-CG 3.97Å; L512-R530 HydrophobicContact CD1-CB 3.39Å; L512-R530 HydrophobicContact CD1-CG 3.63Å; L512-L533 HydrophobicContact CD2-CD2 3.88Å; L512-L588 HydrophobicContact CD1-CD1 4.1Å; L512-L588 HydrophobicContact CD2-CD1 4.29Å; L512-L588 HydrophobicContact CG-CD1 4.05Å; L512-L596 HydrophobicContact CD2-CD1 3.95Å; L512-L596 HydrophobicContact CD2-CD2 3.99Å
513D96.4Very high91.1Very high0 Ų017 Ų170%010%0.098CC..Hα-helixtrans-58.4-47169.8-74.3-2.8000111.1N504 R505 D509 V515 L516 Q517 Y523 D524N504-D513 HydrophobicContact CB-CB 4.18Å; R505-D513 WeakPolarHBondContact CG-OD2 3.48Å; R505-D513 IonicContact CZ-OD1 3.69Å; R505-D513 IonicContact CZ-OD2 2.7Å; R505-D513 IonicContact NE-OD1 3.64Å; R505-D513 IonicContact NE-OD2 3.95Å; R505-D513 PolarHBondContact NE-OD2 3.27Å; R505-D513 IonicContact NH2-OD1 2.77Å; R505-D513 PolarHBondContact NH2-OD1 2.95Å; R505-D513 IonicContact NH2-OD2 3.16Å; R505-D513 PolarHBondContact NH2-OD2 2.87Å; D509-D513 PolarHBondContact O-N 3.18Å; D513-V515 VanDerWaalsContact C-N 3.32Å; D513-V515 PolarHBondContact O-N 2.76Å; D513-L516 PolarHBondContact O-N 3.01Å; D513-Q517 VanDerWaalsContact O-CB 3.28Å; D513-Q517 WeakPolarHBondContact O-CB 3.11Å; D513-Q517 VanDerWaalsContact O-CG 3.24Å; D513-Q517 WeakPolarHBondContact O-CG 3.44Å; D513-Q517 PolarHBondContact O-N 3.03Å; D513-Y523 WeakPolarHBondContact OD1-CB 3.37Å; D513-D524 PolarHBondContact OD1-N 3.33Å
514S98.3Very high91Very high0 Ų015.6 Ų15.60%09%0.093CC..Hα-helixtrans-63.2-36.8178.1-60.30000112.8N504 C510 L511 Q517 A518 F653 S654 A655N504-S514 PolarHBondContact ND2-OG 3.12Å; N504-S514 VanDerWaalsContact ND2-OG 3.09Å; C510-S514 VanDerWaalsContact O-CB 3.22Å; C510-S514 WeakPolarHBondContact O-CB 3.25Å; C510-S514 PolarHBondContact O-N 3.26Å; C510-S514 PolarHBondContact O-OG 2.92Å; L511-S514 PolarHBondContact O-N 3.42Å; S514-Q517 PolarHBondContact O-N 3.38Å; S514-A518 VanDerWaalsContact O-CB 3.31Å; S514-A518 WeakPolarHBondContact O-CB 3.49Å; S514-A518 PolarHBondContact O-N 3.4Å; S514-F653 PolarHBondContact OG-O 2.94Å; S514-S654 VanDerWaalsContact OG-C 3.28Å; S514-S654 WeakPolarHBondContact OG-CA 3.34Å; S514-S654 PolarHBondContact OG-N 2.83Å; S514-A655 WeakPolarHBondContact O-CB 3.39Å; S514-A655 PolarHBondContact OG-N 2.59Å
515V98.6Very high90.9Very high0 Ų018 Ų180%010%0.104CC..Hα-helixtrans-67.2-44.5175.6163.70000111.6L511 L512 D513 Q517 T519 L529 L596 L600 I644 L646L511-V515 WeakPolarHBondContact O-CG2 3.18Å; L511-V515 PolarHBondContact O-N 3.3Å; L512-V515 PolarHBondContact O-N 3Å; D513-V515 VanDerWaalsContact C-N 3.32Å; D513-V515 PolarHBondContact O-N 2.76Å; V515-Q517 VanDerWaalsContact C-N 3.33Å; V515-T519 WeakPolarHBondContact O-CG2 3.29Å; V515-T519 PolarHBondContact O-N 3.41Å; V515-T519 PolarHBondContact O-OG1 3.49Å; V515-L529 HydrophobicContact CB-CD2 4.11Å; V515-L529 HydrophobicContact CG1-CD2 3.66Å; V515-L596 HydrophobicContact CG2-CD1 4.37Å; V515-L600 HydrophobicContact CG1-CD1 3.7Å; V515-L600 HydrophobicContact CG1-CD2 3.89Å; V515-L600 HydrophobicContact CG1-CG 4.24Å; V515-I644 HydrophobicContact CG1-CD1 4.34Å; V515-I644 HydrophobicContact CG2-CD1 4.11Å; V515-L646 HydrophobicContact CG2-CD1 4.04Å; V515-L646 HydrophobicContact CG2-CD2 4.4Å
516L97.9Very high91.2Very high4 Ų419 Ų192%0.02111%0.113CC..Hα-helixtrans-71.7-26.7175.9-70-172.5000112.9V426 L512 D513 T519 W520 G521 I522 D524 L529V426-L516 HydrophobicContact CG1-CD2 4.28Å; L512-L516 PolarHBondContact O-N 3Å; D513-L516 PolarHBondContact O-N 3.01Å; L516-T519 WeakPolarHBondContact CA-OG1 3.18Å; L516-T519 PolarHBondContact O-OG1 3.21Å; L516-W520 CarbonylContact O-C 3.6Å; L516-W520 WeakPolarHBondContact O-CA 3.45Å; L516-W520 PolarHBondContact O-N 2.8Å; L516-G521 PolarHBondContact O-N 3.4Å; L516-I522 CarbonylContact C-O 3.52Å; L516-I522 HydrophobicContact CB-CG1 4.28Å; L516-I522 WeakPolarHBondContact CB-O 3.37Å; L516-I522 PolarHBondContact O-N 2.75Å; L516-D524 HydrophobicContact CD1-CB 3.72Å; L516-L529 HydrophobicContact CD1-CB 4.38Å; L516-L529 HydrophobicContact CD2-CD2 4.01Å; L516-L529 HydrophobicContact CG-CD2 3.89Å
517Q97.8Very high92.4Very high4 Ų417.8 Ų17.82%0.01911%0.107CC..Hα-helixtrans-69.1-49.9171.9-80.6-179.4-3600111F448 L502 W503 N504 D513 S514 V515 T519 G521 I522 A655F448-Q517 WeakPolarHBondContact CB-O 3.47Å; L502-Q517 HydrophobicContact CD1-CB 4.31Å; W503-Q517 PolarHBondContact O-NE2 2.99Å; N504-Q517 PolarHBondContact ND2-OE1 2.76Å; D513-Q517 VanDerWaalsContact O-CB 3.28Å; D513-Q517 WeakPolarHBondContact O-CB 3.11Å; D513-Q517 VanDerWaalsContact O-CG 3.24Å; D513-Q517 WeakPolarHBondContact O-CG 3.44Å; D513-Q517 PolarHBondContact O-N 3.03Å; S514-Q517 PolarHBondContact O-N 3.38Å; V515-Q517 VanDerWaalsContact C-N 3.33Å; Q517-T519 PolarHBondContact O-N 3.44Å; Q517-T519 VanDerWaalsContact O-N 3.14Å; Q517-G521 WeakPolarHBondContact O-CA 3.48Å; Q517-G521 PolarHBondContact O-N 3.26Å; Q517-G521 VanDerWaalsContact O-N 3.17Å; Q517-I522 PolarHBondContact N-O 2.82Å; Q517-A655 HydrophobicContact CB-CB 3.68Å
518A98.3Very high93.8Very high3 Ų315.8 Ų15.83%0.0259%0.087CC..Hα-helixtrans-66.6-11.4178.900000114.3F448 S514 I644 A655F448-A518 PolarHBondContact N-O 3.05Å; S514-A518 VanDerWaalsContact O-CB 3.31Å; S514-A518 WeakPolarHBondContact O-CB 3.49Å; S514-A518 PolarHBondContact O-N 3.4Å; A518-I644 HydrophobicContact CB-CB 4.2Å; A518-I644 HydrophobicContact CB-CD1 4.35Å; A518-I644 HydrophobicContact CB-CG2 4.32Å; A518-A655 HydrophobicContact CB-CB 3.99Å
519T97.4Very high95Very high3 Ų315.6 Ų15.62%0.0188%0.084CC..Hα-helixtrans-113.4-60.118051.10000112.9V446 T447 F448 V515 L516 Q517 I644V446-T519 CarbonylContact C-O 3.49Å; V446-T519 WeakPolarHBondContact CG1-O 3.47Å; V446-T519 WeakPolarHBondContact O-CA 3.49Å; V446-T519 WeakPolarHBondContact O-CB 3.34Å; V446-T519 WeakPolarHBondContact O-CG2 3.28Å; T447-T519 CarbonylContact C-O 2.98Å; T447-T519 PolarHBondContact N-O 3.02Å; F448-T519 PolarHBondContact N-O 3.03Å; V515-T519 WeakPolarHBondContact O-CG2 3.29Å; V515-T519 PolarHBondContact O-N 3.41Å; V515-T519 PolarHBondContact O-OG1 3.49Å; L516-T519 WeakPolarHBondContact CA-OG1 3.18Å; L516-T519 PolarHBondContact O-OG1 3.21Å; Q517-T519 PolarHBondContact O-N 3.44Å; Q517-T519 VanDerWaalsContact O-N 3.14Å; T519-I644 HydrophobicContact CG2-CD1 4.45Å; T519-I644 HydrophobicContact CG2-CG2 3.89Å
520W97.2Very high95.4Very high3 Ų315 Ų151%0.0118%0.081CC..Hα-helixtrans-110.50.1-173-6687000114.2I422 E425 V426 V446 L516 I522 H740 V743I422-W520 HydrophobicContact CG2-CB 4.07Å; I422-W520 HydrophobicContact CG2-CD2 4.36Å; I422-W520 HydrophobicContact CG2-CE3 3.79Å; E425-W520 HydrophobicContact CB-CH2 4.33Å; E425-W520 HydrophobicContact CB-CZ3 4.29Å; E425-W520 HydrophobicContact CG-CH2 4.21Å; E425-W520 HydrophobicContact CG-CZ3 4.38Å; V426-W520 HydrophobicContact CG2-CD2 3.64Å; V426-W520 HydrophobicContact CG2-CE3 4.19Å; V426-W520 HydrophobicContact CG2-CG 3.79Å; V426-W520 HydrophobicContact CG2-CZ2 4.08Å; V446-W520 HydrophobicContact CB-CD2 4.17Å; V446-W520 HydrophobicContact CB-CG 4.49Å; V446-W520 HydrophobicContact CG1-CD2 4.39Å; V446-W520 HydrophobicContact CG1-CE3 4.47Å; V446-W520 HydrophobicContact CG2-CD2 3.94Å; V446-W520 HydrophobicContact CG2-CE3 4.14Å; V446-W520 HydrophobicContact CG2-CH2 3.84Å; V446-W520 HydrophobicContact CG2-CZ2 3.57Å; V446-W520 HydrophobicContact CG2-CZ3 4.1Å; L516-W520 CarbonylContact O-C 3.6Å; L516-W520 WeakPolarHBondContact O-CA 3.45Å; L516-W520 PolarHBondContact O-N 2.8Å; W520-I522 VanDerWaalsContact C-N 3.31Å; W520-I522 HydrophobicContact CB-CG1 4.04Å; W520-I522 PolarHBondContact O-N 2.74Å; W520-H740 HydrophobicContact CZ3-CB 4.35Å; W520-H740 AromaticContact CZ3-CE1 3.86Å; W520-H740 AromaticContact CZ3-CG 3.74Å; W520-H740 AromaticContact CZ3-ND1 3.6Å; W520-V743 HydrophobicContact CE3-CG2 3.99Å
521G95.9Very high95.5Very high4 Ų420.5 Ų20.54%0.04110%0.103CC..SBendtrans72.616.8-178.800000115.3L516 Q517L516-G521 PolarHBondContact O-N 3.4Å; Q517-G521 WeakPolarHBondContact O-CA 3.48Å; Q517-G521 PolarHBondContact O-N 3.26Å; Q517-G521 VanDerWaalsContact O-N 3.17Å
522I95.8Very high95.6Very high0 Ų020.9 Ų20.90%011%0.105CC..  trans-128.3170.2-174.766.1157.2000112.6A412 T419 I422 R423 L516 Q517 W520 M746A412-I522 HydrophobicContact CB-CB 4.26Å; A412-I522 HydrophobicContact CB-CG2 4.07Å; T419-I522 HydrophobicContact CG2-CB 4.15Å; T419-I522 HydrophobicContact CG2-CG2 3.66Å; I422-I522 HydrophobicContact CB-CD1 4.36Å; I422-I522 HydrophobicContact CB-CG2 4.45Å; I422-I522 HydrophobicContact CD1-CG2 4.12Å; I422-I522 HydrophobicContact CG2-CD1 3.74Å; I422-I522 HydrophobicContact CG2-CG1 4.17Å; I422-I522 HydrophobicContact CG2-CG2 4.09Å; R423-I522 HydrophobicContact CB-CD1 4.48Å; R423-I522 HydrophobicContact CG-CD1 3.43Å; R423-I522 VanDerWaalsContact CG-CD1 3.43Å; L516-I522 CarbonylContact C-O 3.52Å; L516-I522 HydrophobicContact CB-CG1 4.28Å; L516-I522 WeakPolarHBondContact CB-O 3.37Å; L516-I522 PolarHBondContact O-N 2.75Å; Q517-I522 PolarHBondContact N-O 2.82Å; W520-I522 VanDerWaalsContact C-N 3.31Å; W520-I522 HydrophobicContact CB-CG1 4.04Å; W520-I522 PolarHBondContact O-N 2.74Å; I522-M746 HydrophobicContact CG2-CE 3.74Å; I522-M746 HydrophobicContact CG2-SD 3.76Å
523Y92.3Very high95.6Very high49 Ų4920.9 Ų20.919%0.19211%0.105CC..  trans-106.7157175.654.4-89.2000111.7I410 A412 D513 K525I410-Y523 HydrophobicContact CD1-CD1 3.97Å; I410-Y523 HydrophobicContact CD1-CE1 4.35Å; A412-Y523 HydrophobicContact CB-CD1 3.81Å; A412-Y523 HydrophobicContact CB-CE1 3.65Å; D513-Y523 WeakPolarHBondContact OD1-CB 3.37Å; Y523-K525 HydrophobicContact CD2-CB 3.86Å; Y523-K525 HydrophobicContact CE2-CB 3.65Å; Y523-K525 HydrophobicContact CE2-CD 3.99Å; Y523-K525 HydrophobicContact CE2-CG 3.93Å; Y523-K525 PolarHBondContact O-N 2.96Å
524D94.1Very high95.7Very high2 Ų223.2 Ų23.21%0.01112%0.116CC..  trans-79.465.1-176.7-167.421.9000111R505 L512 D513 L516 D526 S527 V528 L529 R530R505-D524 VanDerWaalsContact NH2-C 3.3Å; R505-D524 PolarHBondContact NH2-O 2.95Å; L512-D524 HydrophobicContact CB-CB 4.16Å; D513-D524 PolarHBondContact OD1-N 3.33Å; L516-D524 HydrophobicContact CD1-CB 3.72Å; D524-D526 VanDerWaalsContact C-N 3.31Å; D524-D526 PolarHBondContact O-N 3.3Å; D524-S527 PolarHBondContact O-N 3.33Å; D524-S527 PolarHBondContact OD1-N 3.1Å; D524-S527 WeakPolarHBondContact OD2-CA 3.44Å; D524-V528 PolarHBondContact OD1-N 3.45Å; D524-L529 PolarHBondContact OD1-N 3.04Å; D524-L529 VanDerWaalsContact OD1-N 3.15Å; D524-L529 WeakPolarHBondContact OD2-CA 3.07Å; D524-L529 WeakPolarHBondContact OD2-CB 3.33Å; D524-L529 PolarHBondContact OD2-N 3.41Å; D524-R530 PolarHBondContact OD2-N 2.8Å
525K86.1Confident95.7Very high53 Ų5324.9 Ų24.923%0.2313%0.125CC..THydrogen-bonded Turntrans-57.2-44.6-173.8-172.9170.7176.4158.80112.4T353 Y523T353-K525 PolarHBondContact OG1-NZ 2.91Å; Y523-K525 HydrophobicContact CD2-CB 3.86Å; Y523-K525 HydrophobicContact CE2-CB 3.65Å; Y523-K525 HydrophobicContact CE2-CD 3.99Å; Y523-K525 HydrophobicContact CE2-CG 3.93Å; Y523-K525 PolarHBondContact O-N 2.96Å
526D87Confident95.7Very high83 Ų8324.9 Ų24.944%0.44413%0.125SC..THydrogen-bonded Turntrans-102.516.4-170.2-49-45.6000112.3R423 D524 V528R423-D526 VanDerWaalsContact CD-OD2 3.25Å; R423-D526 WeakPolarHBondContact CD-OD2 3.45Å; R423-D526 IonicContact CZ-OD2 2.78Å; R423-D526 IonicContact NE-OD2 3.37Å; R423-D526 PolarHBondContact NE-OD2 3.01Å; R423-D526 IonicContact NH2-OD2 3.33Å; D524-D526 VanDerWaalsContact C-N 3.31Å; D524-D526 PolarHBondContact O-N 3.3Å; D526-V528 HydrophobicContact CB-CG2 4.25Å; D526-V528 PolarHBondContact O-N 3.38Å
527S93.3Very high95.7Very high42 Ų4224.7 Ų24.729%0.29412%0.124SC..SBendtrans56.330179.6-61.80000114.5D524 K531D524-S527 PolarHBondContact O-N 3.33Å; D524-S527 PolarHBondContact OD1-N 3.1Å; D524-S527 WeakPolarHBondContact OD2-CA 3.44Å; S527-K531 VanDerWaalsContact O-CB 3.26Å; S527-K531 WeakPolarHBondContact O-CB 3.48Å; S527-K531 PolarHBondContact O-N 3.28Å
528V94.9Very high95.6Very high38 Ų3829.7 Ų29.723%0.2315%0.147CC..Hα-helixtrans-67-45.6-179.6177.20000109.6A427 L430 D524 D526 T532A427-V528 HydrophobicContact CB-CG1 4.18Å; L430-V528 HydrophobicContact CD1-CG1 3.86Å; D524-V528 PolarHBondContact OD1-N 3.45Å; D526-V528 HydrophobicContact CB-CG2 4.25Å; D526-V528 PolarHBondContact O-N 3.38Å; V528-T532 VanDerWaalsContact O-CB 3.29Å; V528-T532 WeakPolarHBondContact O-CB 3.42Å; V528-T532 PolarHBondContact O-N 3.48Å; V528-T532 PolarHBondContact O-OG1 2.9Å
529L97.3Very high95.6Very high3 Ų333 Ų332%0.01616%0.164CC..Hα-helixtrans-74.8-37.9177.9-17063.8000111L512 V515 L516 D524 K531 T532 L533 L596 I599L512-L529 HydrophobicContact CB-CD2 4.38Å; L512-L529 HydrophobicContact CD2-CB 4.48Å; L512-L529 HydrophobicContact CD2-CD2 4.05Å; L512-L529 HydrophobicContact CD2-CG 3.97Å; V515-L529 HydrophobicContact CB-CD2 4.11Å; V515-L529 HydrophobicContact CG1-CD2 3.66Å; L516-L529 HydrophobicContact CD1-CB 4.38Å; L516-L529 HydrophobicContact CD2-CD2 4.01Å; L516-L529 HydrophobicContact CG-CD2 3.89Å; D524-L529 PolarHBondContact OD1-N 3.04Å; D524-L529 VanDerWaalsContact OD1-N 3.15Å; D524-L529 WeakPolarHBondContact OD2-CA 3.07Å; D524-L529 WeakPolarHBondContact OD2-CB 3.33Å; D524-L529 PolarHBondContact OD2-N 3.41Å; L529-K531 PolarHBondContact O-N 2.99Å; L529-T532 PolarHBondContact O-N 2.92Å; L529-L533 VanDerWaalsContact O-CB 3.3Å; L529-L533 WeakPolarHBondContact O-CB 3.47Å; L529-L533 PolarHBondContact O-N 3.5Å; L529-L596 HydrophobicContact CD1-CD2 3.87Å; L529-L596 HydrophobicContact CD2-CD2 3.96Å; L529-L596 HydrophobicContact CG-CD2 3.83Å; L529-I599 HydrophobicContact CD1-CG2 4.17Å
530R96.9Very high95.6Very high6 Ų632.9 Ų32.92%0.02316%0.164CC..Hα-helixtrans-57.6-47.8174.4-163.8159-174.5113.77112.1D509 L512 D524 L533 H534 L580 A581 Q583 S586D509-R530 IonicContact OD1-CZ 2.79Å; D509-R530 IonicContact OD1-NE 3.57Å; D509-R530 IonicContact OD1-NH1 2.72Å; D509-R530 PolarHBondContact OD1-NH1 3.14Å; L512-R530 HydrophobicContact CD1-CB 3.39Å; L512-R530 HydrophobicContact CD1-CG 3.63Å; D524-R530 PolarHBondContact OD2-N 2.8Å; R530-L533 WeakPolarHBondContact O-CB 3.23Å; R530-L533 PolarHBondContact O-N 2.76Å; R530-H534 PolarHBondContact O-N 3.07Å; R530-L580 PolarHBondContact NH2-O 2.83Å; R530-A581 WeakPolarHBondContact CG-O 3.42Å; R530-A581 PolarHBondContact NE-O 2.86Å; R530-A581 VanDerWaalsContact NE-O 3.14Å; R530-Q583 PolarHBondContact NE-O 3.2Å; R530-Q583 PolarHBondContact NH2-O 3.4Å; R530-S586 PolarHBondContact NH1-O 3.33Å; R530-S586 PolarHBondContact NH2-O 2.97Å; R530-S586 VanDerWaalsContact NH2-O 3.12Å; R530-S586 PolarHBondContact NH2-OG 2.79Å
531K96.7Very high95.6Very high130 Ų13034.1 Ų34.157%0.56517%0.173SC*.Hα-helixtrans-64.5-46.6177.6-174.8-177.3173-166.70111.3S527 L529 L533 H534 D535S527-K531 VanDerWaalsContact O-CB 3.26Å; S527-K531 WeakPolarHBondContact O-CB 3.48Å; S527-K531 PolarHBondContact O-N 3.28Å; L529-K531 PolarHBondContact O-N 2.99Å; K531-L533 VanDerWaalsContact C-N 3.26Å; K531-L533 PolarHBondContact O-N 3Å; K531-H534 PolarHBondContact O-N 3.38Å; K531-D535 WeakPolarHBondContact CE-OD2 3.48Å; K531-D535 IonicContact NZ-OD2 2.71Å; K531-D535 WeakPolarHBondContact O-CB 3.21Å; K531-D535 PolarHBondContact O-N 3.37Å
532T97.9Very high95.6Very high11 Ų1139.5 Ų39.57%0.06720%0.197CC..Hα-helixtrans-58.7-38.5178.8-59.80000112.2L430 Y440 V528 L529 S536 I599L430-T532 HydrophobicContact CD1-CG2 4.1Å; L430-T532 WeakPolarHBondContact CD1-OG1 3.41Å; L430-T532 HydrophobicContact CD2-CG2 3.82Å; Y440-T532 VanDerWaalsContact CB-CG2 3.43Å; Y440-T532 HydrophobicContact CD1-CG2 4.01Å; Y440-T532 HydrophobicContact CD2-CG2 4.42Å; Y440-T532 HydrophobicContact CG-CG2 3.73Å; V528-T532 VanDerWaalsContact O-CB 3.29Å; V528-T532 WeakPolarHBondContact O-CB 3.42Å; V528-T532 PolarHBondContact O-N 3.48Å; V528-T532 PolarHBondContact O-OG1 2.9Å; L529-T532 PolarHBondContact O-N 2.92Å; T532-S536 VanDerWaalsContact O-CB 3.23Å; T532-S536 WeakPolarHBondContact O-CB 3.41Å; T532-S536 PolarHBondContact O-N 3.23Å; T532-S536 PolarHBondContact O-OG 2.91Å; T532-I599 HydrophobicContact CG2-CD1 4.12Å; T532-I599 HydrophobicContact CG2-CG1 4.44Å; T532-I599 HydrophobicContact CG2-CG2 3.95Å
533L98.6Very high95.6Very high0 Ų044.3 Ų44.30%022%0.215CC..Hα-helixtrans-63-49.8171166.562000111.8L512 L529 R530 K531 L537 A581 L588 H592 V595 L596 I599L512-L533 HydrophobicContact CD2-CD2 3.88Å; L529-L533 VanDerWaalsContact O-CB 3.3Å; L529-L533 WeakPolarHBondContact O-CB 3.47Å; L529-L533 PolarHBondContact O-N 3.5Å; R530-L533 WeakPolarHBondContact O-CB 3.23Å; R530-L533 PolarHBondContact O-N 2.76Å; K531-L533 VanDerWaalsContact C-N 3.26Å; K531-L533 PolarHBondContact O-N 3Å; L533-L537 WeakPolarHBondContact O-CB 3.44Å; L533-L537 PolarHBondContact O-N 3.24Å; L533-A581 HydrophobicContact CG-CB 4.42Å; L533-L588 HydrophobicContact CD2-CD1 3.84Å; L533-H592 HydrophobicContact CD1-CB 4.16Å; L533-H592 HydrophobicContact CD2-CB 4Å; L533-V595 HydrophobicContact CD1-CB 3.65Å; L533-V595 HydrophobicContact CD1-CG1 3.63Å; L533-V595 HydrophobicContact CD1-CG2 4.43Å; L533-L596 HydrophobicContact CB-CD2 4.39Å; L533-L596 HydrophobicContact CD1-CG 4.3Å; L533-L596 HydrophobicContact CD2-CD1 4.42Å; L533-L596 HydrophobicContact CD2-CG 4.41Å; L533-I599 HydrophobicContact CB-CD1 4.32Å
534H97.9Very high95.9Very high49 Ų4942 Ų4223%0.22721%0.206CC..Hα-helixtrans-59.3-53.5177.7174.755.5000112.2R530 K531 S536 L537 H538 A581R530-H534 PolarHBondContact O-N 3.07Å; K531-H534 PolarHBondContact O-N 3.38Å; H534-S536 VanDerWaalsContact C-N 3.33Å; H534-S536 PolarHBondContact O-N 3.08Å; H534-L537 PolarHBondContact O-N 3.4Å; H534-H538 VanDerWaalsContact O-CB 3.26Å; H534-H538 WeakPolarHBondContact O-CB 3.13Å; H534-H538 PolarHBondContact O-N 2.81Å; H534-A581 HydrophobicContact CB-CB 3.8Å
535D98.1Very high96.1Very high35 Ų3543.1 Ų43.119%0.18721%0.21CC..Hα-helixtrans-59.3-43.1-178.8-65.50.9000110.7Y440 K531 D539Y440-D535 HydrophobicContact CD2-CB 4.49Å; Y440-D535 HydrophobicContact CE2-CB 3.91Å; K531-D535 WeakPolarHBondContact CE-OD2 3.48Å; K531-D535 IonicContact NZ-OD2 2.71Å; K531-D535 WeakPolarHBondContact O-CB 3.21Å; K531-D535 PolarHBondContact O-N 3.37Å; D535-D539 WeakPolarHBondContact O-CB 3.35Å; D535-D539 PolarHBondContact O-N 3.12Å
536S98.4Very high96.6Very high0 Ų043.4 Ų43.40%022%0.219CC..Hα-helixtrans-65.7-43.6176.9-60.50000113.4Y440 T532 H534 C540Y440-S536 WeakPolarHBondContact CB-OG 3.5Å; Y440-S536 WeakPolarHBondContact CD2-OG 3.42Å; Y440-S536 PolarHBondContact N-OG 2.98Å; Y440-S536 VanDerWaalsContact N-OG 3.11Å; T532-S536 VanDerWaalsContact O-CB 3.23Å; T532-S536 WeakPolarHBondContact O-CB 3.41Å; T532-S536 PolarHBondContact O-N 3.23Å; T532-S536 PolarHBondContact O-OG 2.91Å; H534-S536 VanDerWaalsContact C-N 3.33Å; H534-S536 PolarHBondContact O-N 3.08Å; S536-C540 VanDerWaalsContact O-CB 3.29Å; S536-C540 WeakPolarHBondContact O-CB 3.47Å; S536-C540 PolarHBondContact O-N 2.99Å; S536-C540 VanDerWaalsContact O-N 3.08Å
537L97.6Very high97Very high1 Ų141 Ų411%0.00520%0.203CC..Hα-helixtrans-70.8-33.2-179.8174.356000111.4L533 H534 S541 F544 W574 L578 A581 T591 V595L533-L537 WeakPolarHBondContact O-CB 3.44Å; L533-L537 PolarHBondContact O-N 3.24Å; H534-L537 PolarHBondContact O-N 3.4Å; L537-S541 WeakPolarHBondContact O-CA 3.37Å; L537-S541 WeakPolarHBondContact O-CB 3.43Å; L537-S541 PolarHBondContact O-N 2.99Å; L537-F544 HydrophobicContact CD1-CB 4.1Å; L537-F544 HydrophobicContact CD1-CD2 4.22Å; L537-F544 HydrophobicContact CD1-CG 4.38Å; L537-W574 HydrophobicContact CD1-CH2 3.63Å; L537-W574 HydrophobicContact CD1-CZ2 3.72Å; L537-L578 HydrophobicContact CD1-CD2 3.85Å; L537-L578 HydrophobicContact CD2-CD2 4.28Å; L537-L578 HydrophobicContact CG-CD2 3.62Å; L537-A581 HydrophobicContact CD2-CB 4.38Å; L537-T591 HydrophobicContact CD1-CG2 4.35Å; L537-V595 HydrophobicContact CB-CG1 4.45Å; L537-V595 HydrophobicContact CB-CG2 4.24Å; L537-V595 HydrophobicContact CD1-CG2 3.98Å
538H96.8Very high97.2Very high108 Ų10839.3 Ų39.350%0.519%0.191SC..Hα-helixtrans-69.2-57.6173.5176.1-89.5000111.7H534 C540 S541H534-H538 VanDerWaalsContact O-CB 3.26Å; H534-H538 WeakPolarHBondContact O-CB 3.13Å; H534-H538 PolarHBondContact O-N 2.81Å; H538-C540 PolarHBondContact O-N 3.37Å; H538-S541 WeakPolarHBondContact O-CB 3.48Å; H538-S541 PolarHBondContact O-N 2.92Å; H538-S541 VanDerWaalsContact O-N 3.1Å
539D96.8Very high97.1Very high72 Ų7239.7 Ų39.739%0.38519%0.189SC..Hα-helixtrans-68.7-36.2-172.4-70.2-0.9000112Q432 D535 S541Q432-D539 PolarHBondContact NE2-OD2 3.43Å; Q432-D539 VanDerWaalsContact NE2-OD2 3.08Å; D535-D539 WeakPolarHBondContact O-CB 3.35Å; D535-D539 PolarHBondContact O-N 3.12Å; D539-S541 VanDerWaalsContact C-N 3.34Å
540C97.6Very high96.9Very high1 Ų142.7 Ų42.71%0.00720%0.203CC..THydrogen-bonded Turntrans-93.818.1174.1-63.30000113.7F437 T438 C439 S536 H538 H542 W543 F544F437-C540 HydrophobicContact CD2-CB 3.79Å; F437-C540 WeakPolarHBondContact CD2-SG 3.47Å; F437-C540 HydrophobicContact CE2-CB 3.69Å; T438-C540 VanDerWaalsContact C-SG 3.55Å; T438-C540 PolarHBondContact N-SG 2.81Å; C439-C540 PolarHBondContact N-SG 2.89Å; S536-C540 VanDerWaalsContact O-CB 3.29Å; S536-C540 WeakPolarHBondContact O-CB 3.47Å; S536-C540 PolarHBondContact O-N 2.99Å; S536-C540 VanDerWaalsContact O-N 3.08Å; H538-C540 PolarHBondContact O-N 3.37Å; C540-H542 VanDerWaalsContact C-N 3.26Å; C540-H542 PolarHBondContact O-N 3.29Å; C540-H542 VanDerWaalsContact O-N 3.08Å; C540-W543 WeakPolarHBondContact O-CB 3.34Å; C540-W543 PolarHBondContact O-N 3.15Å; C540-F544 HydrophobicContact CB-CD2 3.84Å; C540-F544 HydrophobicContact CB-CE2 3.65Å; C540-F544 PolarHBondContact O-N 3.08Å
541S96.7Very high96.7Very high29 Ų2942.6 Ų42.620%0.20320%0.203CC..Hα-helixtrans-44.6-46-174.5164.60000113.6L537 H538 D539 W543 F544 Y545 W574L537-S541 WeakPolarHBondContact O-CA 3.37Å; L537-S541 WeakPolarHBondContact O-CB 3.43Å; L537-S541 PolarHBondContact O-N 2.99Å; H538-S541 WeakPolarHBondContact O-CB 3.48Å; H538-S541 PolarHBondContact O-N 2.92Å; H538-S541 VanDerWaalsContact O-N 3.1Å; D539-S541 VanDerWaalsContact C-N 3.34Å; S541-W543 PolarHBondContact O-N 2.96Å; S541-F544 PolarHBondContact O-N 3.08Å; S541-Y545 WeakPolarHBondContact O-CB 3.38Å; S541-Y545 PolarHBondContact O-N 2.88Å; S541-W574 WeakPolarHBondContact O-CZ2 3.09Å; S541-W574 PolarHBondContact OG-NE1 3.35Å
542H95.9Very high96.3Very high117 Ų11737.7 Ų37.754%0.54218%0.182SC..Hα-helixtrans-65.1-33.3-178.767.9-82.4000114.5C540 S546C540-H542 VanDerWaalsContact C-N 3.26Å; C540-H542 PolarHBondContact O-N 3.29Å; C540-H542 VanDerWaalsContact O-N 3.08Å; H542-S546 PolarHBondContact O-N 3.11Å
543W97.8Very high95.9Very high101 Ų10138.7 Ų38.738%0.38319%0.19SC..Hα-helixtrans-69.2-48.5175.6-66.196.8000111.3D436 F437 C540 S541 L633D436-W543 HydrophobicContact CB-CZ2 4.48Å; D436-W543 PolarHBondContact O-NE1 2.69Å; F437-W543 HydrophobicContact CB-CZ2 4.44Å; F437-W543 HydrophobicContact CD2-CB 4.26Å; F437-W543 AromaticContact CD2-CD1 3.61Å; F437-W543 HydrophobicContact CD2-CD2 4.22Å; F437-W543 AromaticContact CD2-CG 3.8Å; F437-W543 HydrophobicContact CD2-CG 3.8Å; F437-W543 AromaticContact CD2-NE1 3.9Å; F437-W543 HydrophobicContact CE2-CB 4.23Å; F437-W543 HydrophobicContact CE2-CG 4.26Å; C540-W543 WeakPolarHBondContact O-CB 3.34Å; C540-W543 PolarHBondContact O-N 3.15Å; S541-W543 PolarHBondContact O-N 2.96Å; W543-L633 HydrophobicContact CB-CD1 3.94Å; W543-L633 HydrophobicContact CE3-CD2 4.47Å
544F98Very high95.3Very high1 Ų142.8 Ų42.80%0.00421%0.205CC..Hα-helixtrans-71.4-35.1-179.1-66.6-63000112.2F437 L537 C540 S541 S546 R547 W548 W574 F594 V595 H598 L633F437-F544 HydrophobicContact CE2-CE2 4.08Å; F437-F544 AromaticContact CE2-CZ 3.98Å; F437-F544 HydrophobicContact CE2-CZ 3.98Å; F437-F544 HydrophobicContact CZ-CE2 4.45Å; F437-F544 AromaticContact CZ-CZ 3.93Å; F437-F544 HydrophobicContact CZ-CZ 3.93Å; L537-F544 HydrophobicContact CD1-CB 4.1Å; L537-F544 HydrophobicContact CD1-CD2 4.22Å; L537-F544 HydrophobicContact CD1-CG 4.38Å; C540-F544 HydrophobicContact CB-CD2 3.84Å; C540-F544 HydrophobicContact CB-CE2 3.65Å; C540-F544 PolarHBondContact O-N 3.08Å; S541-F544 PolarHBondContact O-N 3.08Å; F544-S546 PolarHBondContact O-N 2.87Å; F544-R547 PolarHBondContact O-N 3.24Å; F544-W548 WeakPolarHBondContact O-CB 3.37Å; F544-W548 PolarHBondContact O-N 3Å; F544-W574 HydrophobicContact CB-CH2 3.71Å; F544-W574 HydrophobicContact CB-CZ2 3.99Å; F544-F594 AromaticContact CD1-CD1 3.81Å; F544-F594 HydrophobicContact CD1-CD1 3.81Å; F544-F594 AromaticContact CD1-CE1 3.87Å; F544-F594 HydrophobicContact CD1-CE1 3.87Å; F544-F594 HydrophobicContact CE1-CD1 4.02Å; F544-F594 HydrophobicContact CE1-CE1 4.09Å; F544-V595 HydrophobicContact CD1-CG2 3.86Å; F544-V595 HydrophobicContact CD2-CG2 3.99Å; F544-V595 HydrophobicContact CE1-CB 4.41Å; F544-V595 HydrophobicContact CE1-CG2 3.76Å; F544-V595 HydrophobicContact CE2-CG1 4.16Å; F544-V595 HydrophobicContact CE2-CG2 3.88Å; F544-V595 HydrophobicContact CG-CG2 3.98Å; F544-V595 HydrophobicContact CZ-CB 4.22Å; F544-V595 HydrophobicContact CZ-CG1 4.04Å; F544-V595 HydrophobicContact CZ-CG2 3.77Å; F544-H598 AromaticContact CE1-ND1 3.86Å; F544-L633 HydrophobicContact CD1-CD1 3.78Å; F544-L633 HydrophobicContact CE1-CD1 3.56Å; F544-L633 HydrophobicContact CZ-CD1 4.14Å
545Y97.7Very high94.6Very high26 Ų2642.3 Ų42.310%0.10220%0.202CC..Hα-helixtrans-56-47.5174.2174.4-108.4000112.3S541 R547 W548 K549 E567 W570 Q571 W574S541-Y545 WeakPolarHBondContact O-CB 3.38Å; S541-Y545 PolarHBondContact O-N 2.88Å; Y545-R547 PolarHBondContact O-N 2.74Å; Y545-W548 AromaticContact CD2-CE3 3.9Å; Y545-W548 HydrophobicContact CD2-CE3 3.9Å; Y545-W548 AromaticContact CD2-CZ3 3.96Å; Y545-W548 HydrophobicContact CD2-CZ3 3.96Å; Y545-W548 HydrophobicContact CE2-CE3 4.14Å; Y545-W548 AromaticContact CE2-CZ3 3.79Å; Y545-W548 HydrophobicContact CE2-CZ3 3.79Å; Y545-W548 PolarHBondContact O-N 3.08Å; Y545-K549 HydrophobicContact CE1-CD 3.94Å; Y545-K549 HydrophobicContact CE2-CD 4.48Å; Y545-K549 VanDerWaalsContact O-CB 3.22Å; Y545-K549 WeakPolarHBondContact O-CB 3.33Å; Y545-K549 PolarHBondContact O-N 2.81Å; Y545-K549 WeakPolarHBondContact OH-CE 3.41Å; Y545-K549 PolarHBondContact OH-NZ 3.04Å; Y545-E567 PolarHBondContact OH-OE1 2.86Å; Y545-W570 HydrophobicContact CE2-CB 4.27Å; Y545-W570 VanDerWaalsContact OH-CB 3.23Å; Y545-W570 WeakPolarHBondContact OH-CB 3.2Å; Y545-Q571 PolarHBondContact OH-NE2 3.44Å; Y545-Q571 VanDerWaalsContact OH-NE2 3.14Å; Y545-W574 HydrophobicContact CD2-CB 3.79Å; Y545-W574 AromaticContact CD2-CD1 3.74Å; Y545-W574 AromaticContact CD2-CD2 3.72Å; Y545-W574 HydrophobicContact CD2-CD2 3.72Å; Y545-W574 HydrophobicContact CD2-CE3 4.26Å; Y545-W574 AromaticContact CD2-CG 3.48Å; Y545-W574 HydrophobicContact CD2-CG 3.48Å; Y545-W574 VanDerWaalsContact CD2-CG 3.48Å; Y545-W574 HydrophobicContact CE2-CB 3.95Å; Y545-W574 HydrophobicContact CE2-CG 4.14Å; Y545-W574 HydrophobicContact CG-CD2 4.44Å; Y545-W574 HydrophobicContact CG-CG 4.4Å
546S95.8Very high93.7Very high59 Ų5941.1 Ų41.141%0.41320%0.196SC..Hα-helixtrans-60.4-46.6179.5-162.70000111.4H542 F544 K549 E550H542-S546 PolarHBondContact O-N 3.11Å; F544-S546 PolarHBondContact O-N 2.87Å; S546-K549 PolarHBondContact O-N 2.92Å; S546-E550 PolarHBondContact O-N 3.45Å
547R96.6Very high92.8Very high31 Ų3146.3 Ų46.312%0.11722%0.22CC..Hα-helixtrans-63.7-42.8178.2-68.7-58.3-162.4137.7-12.8112.5F544 Y545 W551 F594 L633 F698 E703F544-R547 PolarHBondContact O-N 3.24Å; Y545-R547 PolarHBondContact O-N 2.74Å; R547-W551 VanDerWaalsContact O-CB 3.3Å; R547-W551 WeakPolarHBondContact O-CB 3.49Å; R547-W551 PolarHBondContact O-N 3.1Å; R547-W551 VanDerWaalsContact O-N 3.1Å; R547-F594 HydrophobicContact CB-CE1 4.09Å; R547-F594 HydrophobicContact CG-CE1 4.19Å; R547-F594 HydrophobicContact CG-CZ 4.35Å; R547-L633 HydrophobicContact CG-CD2 4.22Å; R547-F698 HydrophobicContact CB-CB 4.33Å; R547-F698 PolarHBondContact NH1-O 2.92Å; R547-E703 IonicContact CZ-OE1 3.37Å; R547-E703 IonicContact CZ-OE2 2.69Å; R547-E703 IonicContact NH1-OE1 2.8Å; R547-E703 PolarHBondContact NH1-OE1 2.89Å; R547-E703 IonicContact NH1-OE2 3.74Å; R547-E703 PolarHBondContact NH1-OE2 3.42Å; R547-E703 IonicContact NH2-OE1 3.62Å; R547-E703 PolarHBondContact NH2-OE1 3.27Å; R547-E703 IonicContact NH2-OE2 2.65Å; R547-E703 PolarHBondContact NH2-OE2 3.05Å
548W96.4Very high91.8Very high8 Ų849.5 Ų49.53%0.0324%0.242CC..Hα-helixtrans-65.4-44.7177.2166.977.7000112.5F544 Y545 W551 E552 W570 D573 W574 I577 F698F544-W548 WeakPolarHBondContact O-CB 3.37Å; F544-W548 PolarHBondContact O-N 3Å; Y545-W548 AromaticContact CD2-CE3 3.9Å; Y545-W548 HydrophobicContact CD2-CE3 3.9Å; Y545-W548 AromaticContact CD2-CZ3 3.96Å; Y545-W548 HydrophobicContact CD2-CZ3 3.96Å; Y545-W548 HydrophobicContact CE2-CE3 4.14Å; Y545-W548 AromaticContact CE2-CZ3 3.79Å; Y545-W548 HydrophobicContact CE2-CZ3 3.79Å; Y545-W548 PolarHBondContact O-N 3.08Å; W548-W551 PolarHBondContact O-N 2.71Å; W548-E552 HydrophobicContact CD2-CG 4.47Å; W548-E552 HydrophobicContact CZ2-CG 4.24Å; W548-E552 PolarHBondContact O-N 2.86Å; W548-W570 AromaticContact CH2-CE3 3.66Å; W548-W570 HydrophobicContact CH2-CE3 3.66Å; W548-W570 HydrophobicContact CH2-CZ3 4.11Å; W548-W570 HydrophobicContact CZ2-CE3 4.46Å; W548-W570 HydrophobicContact CZ2-CZ3 4.48Å; W548-W570 AromaticContact CZ3-CE3 3.72Å; W548-W570 HydrophobicContact CZ3-CE3 3.72Å; W548-W570 HydrophobicContact CZ3-CZ3 4.29Å; W548-D573 HydrophobicContact CH2-CB 3.81Å; W548-D573 HydrophobicContact CZ2-CB 4.21Å; W548-W574 HydrophobicContact CB-CE3 4.32Å; W548-W574 HydrophobicContact CB-CH2 4.45Å; W548-W574 HydrophobicContact CB-CZ3 3.69Å; W548-W574 AromaticContact CD2-CE3 3.62Å; W548-W574 HydrophobicContact CD2-CE3 3.62Å; W548-W574 AromaticContact CD2-CZ3 3.87Å; W548-W574 HydrophobicContact CD2-CZ3 3.87Å; W548-W574 HydrophobicContact CE3-CB 4.48Å; W548-W574 HydrophobicContact CE3-CD2 4.27Å; W548-W574 AromaticContact CE3-CE3 3.48Å; W548-W574 HydrophobicContact CE3-CE3 3.48Å; W548-W574 VanDerWaalsContact CE3-CE3 3.48Å; W548-W574 HydrophobicContact CE3-CZ3 4.07Å; W548-W574 AromaticContact CG-CE3 4Å; W548-W574 HydrophobicContact CG-CE3 4Å; W548-W574 AromaticContact CG-CZ3 3.71Å; W548-W574 HydrophobicContact CG-CZ3 3.71Å; W548-W574 HydrophobicContact CH2-CB 4.28Å; W548-W574 HydrophobicContact CZ3-CB 3.89Å; W548-W574 HydrophobicContact CZ3-CE3 4.01Å; W548-I577 HydrophobicContact CD2-CD1 4.27Å; W548-I577 VanDerWaalsContact CE2-CD1 3.42Å; W548-I577 HydrophobicContact CH2-CD1 4.46Å; W548-I577 HydrophobicContact CZ2-CD1 3.55Å; W548-I577 VanDerWaalsContact NE1-CD1 3.33Å; W548-F698 HydrophobicContact CB-CE1 4.21Å
549K94.6Very high90.6Very high45 Ų4550 Ų5020%0.19624%0.243CC..Hα-helixtrans-65.2-42.8-179.4-172.7-178.7-168.4172.30112.6Y545 S546 W551 S553 E567 W570Y545-K549 HydrophobicContact CE1-CD 3.94Å; Y545-K549 HydrophobicContact CE2-CD 4.48Å; Y545-K549 VanDerWaalsContact O-CB 3.22Å; Y545-K549 WeakPolarHBondContact O-CB 3.33Å; Y545-K549 PolarHBondContact O-N 2.81Å; Y545-K549 WeakPolarHBondContact OH-CE 3.41Å; Y545-K549 PolarHBondContact OH-NZ 3.04Å; S546-K549 PolarHBondContact O-N 2.92Å; K549-W551 VanDerWaalsContact C-N 3.33Å; K549-S553 WeakPolarHBondContact O-CB 3.48Å; K549-S553 PolarHBondContact O-N 3.05Å; K549-S553 VanDerWaalsContact O-N 3.11Å; K549-S553 PolarHBondContact O-OG 2.88Å; K549-E567 IonicContact NZ-OE1 3.2Å; K549-E567 PolarHBondContact NZ-OE1 2.9Å; K549-E567 IonicContact NZ-OE2 2.59Å; K549-E567 PolarHBondContact NZ-OE2 3.4Å; K549-W570 HydrophobicContact CD-CD2 4.39Å; K549-W570 HydrophobicContact CD-CG 4.4Å; K549-W570 HydrophobicContact CG-CD2 3.93Å; K549-W570 HydrophobicContact CG-CE3 4.01Å; K549-W570 HydrophobicContact CG-CG 4.44Å; K549-W570 HydrophobicContact CG-CH2 4.32Å; K549-W570 HydrophobicContact CG-CZ2 4.24Å; K549-W570 HydrophobicContact CG-CZ3 4.21Å
550E92.3Very high89.4Confident66 Ų6649.1 Ų49.131%0.30825%0.251SS..Hα-helixtrans-60.8-43.6171.6-77.9-177.1-113.300111.1S546 S553 W554 S700 A701S546-E550 PolarHBondContact O-N 3.45Å; E550-S553 PolarHBondContact O-N 3.43Å; E550-W554 WeakPolarHBondContact O-CB 3.13Å; E550-W554 PolarHBondContact O-N 3.49Å; E550-S700 VanDerWaalsContact OE2-CA 3.22Å; E550-S700 WeakPolarHBondContact OE2-CA 3.49Å; E550-S700 WeakPolarHBondContact OE2-CB 3.47Å; E550-A701 PolarHBondContact OE2-N 2.69Å
551W91.5Very high88.3Confident4 Ų454.2 Ų54.22%0.01528%0.278CS..Hα-helixtrans-66.6-48.2-178.4-179.171.9000113.6R547 W548 K549 S553 W554 Y555 Q590 R624 H695 H697 F698R547-W551 VanDerWaalsContact O-CB 3.3Å; R547-W551 WeakPolarHBondContact O-CB 3.49Å; R547-W551 PolarHBondContact O-N 3.1Å; R547-W551 VanDerWaalsContact O-N 3.1Å; W548-W551 PolarHBondContact O-N 2.71Å; K549-W551 VanDerWaalsContact C-N 3.33Å; W551-S553 VanDerWaalsContact C-N 3.29Å; W551-S553 PolarHBondContact O-N 2.84Å; W551-W554 PolarHBondContact O-N 2.78Å; W551-Y555 HydrophobicContact CZ2-CD2 4.35Å; W551-Y555 VanDerWaalsContact O-CB 3.26Å; W551-Y555 WeakPolarHBondContact O-CB 3.45Å; W551-Y555 PolarHBondContact O-N 2.97Å; W551-Q590 HydrophobicContact CH2-CB 4.39Å; W551-Q590 HydrophobicContact CH2-CG 4.18Å; W551-R624 HydrophobicContact CH2-CB 4.24Å; W551-H695 AromaticContact NE1-CE1 3.32Å; W551-H695 PolarHBondContact NE1-CE1 2.72Å; W551-H695 VanDerWaalsContact NE1-CE1 3.32Å; W551-H695 AromaticContact NE1-NE2 3.57Å; W551-H697 AromaticContact CE2-ND1 3.9Å; W551-H697 AromaticContact CZ2-ND1 3.63Å; W551-H697 AromaticContact NE1-ND1 3.95Å; W551-F698 HydrophobicContact CB-CD1 3.67Å; W551-F698 HydrophobicContact CB-CE1 4.06Å; W551-F698 HydrophobicContact CD2-CD1 4.17Å; W551-F698 AromaticContact CD2-CE1 3.83Å; W551-F698 HydrophobicContact CD2-CE1 3.83Å; W551-F698 HydrophobicContact CD2-CZ 4.28Å; W551-F698 HydrophobicContact CE3-CD1 4.38Å; W551-F698 AromaticContact CE3-CE1 3.62Å; W551-F698 HydrophobicContact CE3-CE1 3.62Å; W551-F698 HydrophobicContact CE3-CZ 4.02Å; W551-F698 AromaticContact CG-CD1 3.86Å; W551-F698 HydrophobicContact CG-CD1 3.86Å; W551-F698 HydrophobicContact CG-CE1 4.02Å; W551-F698 HydrophobicContact CZ3-CE1 4.38Å; W551-F698 HydrophobicContact CZ3-CZ 4.37Å
552E90.3Very high87.1Confident27 Ų2760.8 Ų60.813%0.12631%0.305CS..Hα-helixtrans-61.4-38.9174.9-74.6-69.2-179.600111.7W548 Y555 S556 W570 R624W548-E552 HydrophobicContact CD2-CG 4.47Å; W548-E552 HydrophobicContact CZ2-CG 4.24Å; W548-E552 PolarHBondContact O-N 2.86Å; E552-Y555 PolarHBondContact O-N 3.48Å; E552-S556 PolarHBondContact O-N 3.17Å; E552-S556 VanDerWaalsContact O-N 3.08Å; E552-S556 PolarHBondContact O-OG 3.13Å; E552-W570 HydrophobicContact CB-CH2 3.97Å; E552-W570 HydrophobicContact CB-CZ3 3.85Å; E552-R624 IonicContact OE1-CZ 2.72Å; E552-R624 IonicContact OE1-NH1 2.69Å; E552-R624 PolarHBondContact OE1-NH1 2.86Å; E552-R624 IonicContact OE1-NH2 2.72Å; E552-R624 PolarHBondContact OE1-NH2 2.83Å; E552-R624 IonicContact OE2-CZ 3.15Å; E552-R624 IonicContact OE2-NH1 3.16Å; E552-R624 PolarHBondContact OE2-NH1 3.15Å; E552-R624 IonicContact OE2-NH2 2.75Å
553S88.2Confident85.9Confident33 Ų3359.9 Ų59.923%0.23130%0.3CS..Hα-helixtrans-65.3-38.2176.6-61.10000112.6K549 E550 W551 S556 Q557 W570K549-S553 WeakPolarHBondContact O-CB 3.48Å; K549-S553 PolarHBondContact O-N 3.05Å; K549-S553 VanDerWaalsContact O-N 3.11Å; K549-S553 PolarHBondContact O-OG 2.88Å; E550-S553 PolarHBondContact O-N 3.43Å; W551-S553 VanDerWaalsContact C-N 3.29Å; W551-S553 PolarHBondContact O-N 2.84Å; S553-S556 PolarHBondContact O-OG 2.89Å; S553-S556 VanDerWaalsContact O-OG 3.1Å; S553-Q557 VanDerWaalsContact O-CG 3.29Å; S553-Q557 WeakPolarHBondContact O-CG 3.37Å; S553-Q557 PolarHBondContact O-NE2 3.14Å; S553-W570 WeakPolarHBondContact OG-CH2 3.45Å; S553-W570 WeakPolarHBondContact OG-CZ2 3.37Å
554W85.8Confident84.9Confident86 Ų8660.7 Ų60.733%0.32632%0.321SS..Hα-helixtrans-72.9-42.6174.3173.184.9000111.8E550 W551 S556 Q557 S558 H695 M704E550-W554 WeakPolarHBondContact O-CB 3.13Å; E550-W554 PolarHBondContact O-N 3.49Å; W551-W554 PolarHBondContact O-N 2.78Å; W554-S556 VanDerWaalsContact C-N 3.33Å; W554-S556 PolarHBondContact O-N 3.03Å; W554-Q557 PolarHBondContact O-N 2.87Å; W554-S558 PolarHBondContact O-N 2.99Å; W554-H695 AromaticContact CH2-CD2 3.83Å; W554-H695 AromaticContact CH2-NE2 3.81Å; W554-H695 AromaticContact CZ3-CD2 3.84Å; W554-H695 AromaticContact CZ3-NE2 3.34Å; W554-H695 VanDerWaalsContact CZ3-NE2 3.34Å; W554-H695 WeakPolarHBondContact CZ3-NE2 3.41Å; W554-M704 HydrophobicContact CB-CE 4.06Å; W554-M704 VanDerWaalsContact CD1-CE 3.47Å; W554-M704 HydrophobicContact CD2-CE 3.95Å; W554-M704 HydrophobicContact CD2-SD 4.15Å; W554-M704 HydrophobicContact CG-CE 3.54Å; W554-M704 HydrophobicContact CG-SD 4.22Å; W554-M704 HydrophobicContact CZ2-SD 4.26Å
555Y83.1Confident84.2Confident39 Ų3962.8 Ų62.815%0.15333%0.332CS..Hα-helixtrans-59.6-43.7-178.1-178.7-95.2000111W551 E552 S558 F559 Y622 R624W551-Y555 HydrophobicContact CZ2-CD2 4.35Å; W551-Y555 VanDerWaalsContact O-CB 3.26Å; W551-Y555 WeakPolarHBondContact O-CB 3.45Å; W551-Y555 PolarHBondContact O-N 2.97Å; E552-Y555 PolarHBondContact O-N 3.48Å; Y555-S558 WeakPolarHBondContact O-CB 3.21Å; Y555-S558 PolarHBondContact O-N 2.93Å; Y555-S558 PolarHBondContact O-OG 2.95Å; Y555-F559 HydrophobicContact CD1-CE2 4.34Å; Y555-F559 HydrophobicContact CD2-CE2 4.39Å; Y555-F559 HydrophobicContact CE1-CD2 4.33Å; Y555-F559 AromaticContact CE1-CE2 3.76Å; Y555-F559 HydrophobicContact CE1-CE2 3.76Å; Y555-F559 AromaticContact CE2-CE2 3.84Å; Y555-F559 HydrophobicContact CE2-CE2 3.84Å; Y555-F559 HydrophobicContact CE2-CZ 4.46Å; Y555-F559 AromaticContact CZ-CE2 3.47Å; Y555-F559 VanDerWaalsContact CZ-CE2 3.47Å; Y555-F559 VanDerWaalsContact O-CD2 3.3Å; Y555-F559 WeakPolarHBondContact O-CD2 3.34Å; Y555-Y622 HydrophobicContact CE2-CE1 4.49Å; Y555-Y622 WeakPolarHBondContact OH-CD1 3.24Å; Y555-Y622 WeakPolarHBondContact OH-CE1 3.36Å; Y555-R624 HydrophobicContact CE1-CG 4.41Å; Y555-R624 HydrophobicContact CE2-CG 4.27Å; Y555-R624 VanDerWaalsContact CZ-CD 3.45Å
556S80.3Confident83.7Confident10 Ų1069 Ų697%0.0736%0.355CS..Hα-helixtrans-65.3-41.6175.864.10000114E552 S553 W554 S558 F559 L561 F563E552-S556 PolarHBondContact O-N 3.17Å; E552-S556 VanDerWaalsContact O-N 3.08Å; E552-S556 PolarHBondContact O-OG 3.13Å; S553-S556 PolarHBondContact O-OG 2.89Å; S553-S556 VanDerWaalsContact O-OG 3.1Å; W554-S556 VanDerWaalsContact C-N 3.33Å; W554-S556 PolarHBondContact O-N 3.03Å; S556-S558 PolarHBondContact O-N 3.27Å; S556-F559 PolarHBondContact O-N 2.62Å; S556-F559 VanDerWaalsContact O-N 3.11Å; S556-L561 PolarHBondContact O-N 3.3Å; S556-F563 WeakPolarHBondContact OG-CE1 3.49Å
557Q80.1Confident83.4Confident109 Ų10970.6 Ų70.651%0.50936%0.356SS..Hα-helixtrans-60.5-32.4175.3-73.9172.76700112S553 W554 F559 G560S553-Q557 VanDerWaalsContact O-CG 3.29Å; S553-Q557 WeakPolarHBondContact O-CG 3.37Å; S553-Q557 PolarHBondContact O-NE2 3.14Å; W554-Q557 PolarHBondContact O-N 2.87Å; Q557-F559 PolarHBondContact O-N 3.33Å; Q557-G560 PolarHBondContact O-N 3.45Å
558S76.1Confident83.1Confident67 Ų6775 Ų7547%0.46938%0.378SS..Hα-helixtrans-62.2-23.4176.780.90000113.8W554 Y555 S556W554-S558 PolarHBondContact O-N 2.99Å; Y555-S558 WeakPolarHBondContact O-CB 3.21Å; Y555-S558 PolarHBondContact O-N 2.93Å; Y555-S558 PolarHBondContact O-OG 2.95Å; S556-S558 PolarHBondContact O-N 3.27Å
559F70.4Confident82.9Confident118 Ų11878.3 Ų78.352%0.51839%0.394SS..THydrogen-bonded Turntrans-96.19.2171.9-64.7-84.7000113.7Y555 S556 Q557 L561Y555-F559 HydrophobicContact CD1-CE2 4.34Å; Y555-F559 HydrophobicContact CD2-CE2 4.39Å; Y555-F559 HydrophobicContact CE1-CD2 4.33Å; Y555-F559 AromaticContact CE1-CE2 3.76Å; Y555-F559 HydrophobicContact CE1-CE2 3.76Å; Y555-F559 AromaticContact CE2-CE2 3.84Å; Y555-F559 HydrophobicContact CE2-CE2 3.84Å; Y555-F559 HydrophobicContact CE2-CZ 4.46Å; Y555-F559 AromaticContact CZ-CE2 3.47Å; Y555-F559 VanDerWaalsContact CZ-CE2 3.47Å; Y555-F559 VanDerWaalsContact O-CD2 3.3Å; Y555-F559 WeakPolarHBondContact O-CD2 3.34Å; S556-F559 PolarHBondContact O-N 2.62Å; S556-F559 VanDerWaalsContact O-N 3.11Å; Q557-F559 PolarHBondContact O-N 3.33Å; F559-L561 HydrophobicContact CB-CD1 4.36Å; F559-L561 HydrophobicContact CB-CG 4.23Å; F559-L561 PolarHBondContact O-N 3.05Å
560G73.3Confident82.8Confident54 Ų5477 Ų7756%0.55739%0.388SS*.THydrogen-bonded Turntrans71.412.7-175.100000114.3Q557 H562Q557-G560 PolarHBondContact O-N 3.45Å; G560-H562 PolarHBondContact O-N 3.2Å
561L73.8Confident82.9Confident109 Ų10978 Ų7857%0.57139%0.392SS*.  trans-87.886.4-179.3-62.5178.3000110.3S556 F559 F563S556-L561 PolarHBondContact O-N 3.3Å; F559-L561 HydrophobicContact CB-CD1 4.36Å; F559-L561 HydrophobicContact CB-CG 4.23Å; F559-L561 PolarHBondContact O-N 3.05Å; L561-F563 VanDerWaalsContact C-N 3.3Å; L561-F563 PolarHBondContact O-N 3.32Å
562H71.3Confident83Confident167 Ų16784.5 Ų84.577%0.77342%0.423SS*.  trans-69.486.6167.3-72.6-75.8000110.5G560G560-H562 PolarHBondContact O-N 3.2Å
563F71.1Confident83.1Confident98 Ų9886.9 Ų86.943%0.4344%0.437SS..  trans-99.4159.5162.471.4-120.3000111.3S556 L561 L565 W570S556-F563 WeakPolarHBondContact OG-CE1 3.49Å; L561-F563 VanDerWaalsContact C-N 3.3Å; L561-F563 PolarHBondContact O-N 3.32Å; F563-L565 HydrophobicContact CD2-CD1 4.42Å; F563-L565 HydrophobicContact CD2-CG 3.91Å; F563-L565 HydrophobicContact CE2-CD1 3.87Å; F563-L565 HydrophobicContact CE2-CG 3.85Å; F563-L565 HydrophobicContact CZ-CD1 4.43Å; F563-W570 HydrophobicContact CE2-CH2 4.11Å; F563-W570 HydrophobicContact CE2-CZ2 4.11Å
564S76.8Confident83.5Confident117 Ų11785.5 Ų85.582%0.81843%0.426SS*.  trans-135.7116.4165-175.10000107.8
565L82.7Confident83.9Confident46 Ų4684 Ų8424%0.24143%0.432CS..  trans-91.8144.7173.1-65.3174.4000109F563 Q569 W570F563-L565 HydrophobicContact CD2-CD1 4.42Å; F563-L565 HydrophobicContact CD2-CG 3.91Å; F563-L565 HydrophobicContact CE2-CD1 3.87Å; F563-L565 HydrophobicContact CE2-CG 3.85Å; F563-L565 HydrophobicContact CZ-CD1 4.43Å; L565-Q569 HydrophobicContact CB-CB 4.32Å; L565-W570 HydrophobicContact CB-CD2 4.29Å; L565-W570 HydrophobicContact CB-CG 4.41Å; L565-W570 HydrophobicContact CB-CZ2 4.31Å; L565-W570 HydrophobicContact CD1-CD2 4.27Å; L565-W570 HydrophobicContact CD1-CE3 4.33Å; L565-W570 HydrophobicContact CD1-CH2 4.31Å; L565-W570 HydrophobicContact CD1-CZ2 4.23Å; L565-W570 HydrophobicContact CD1-CZ3 4.35Å; L565-W570 PolarHBondContact O-NE1 3.05Å
566R86.9Confident84.5Confident155 Ų15587.8 Ų87.859%0.58545%0.45SS*.  trans-73.5160.6174.5-52.8-175.8-177.9178.91.4110.7E568 Q569 W570R566-E568 WeakPolarHBondContact CB-OE2 3.41Å; R566-E568 PolarHBondContact O-N 3.38Å; R566-Q569 HydrophobicContact CB-CG 4.43Å; R566-Q569 PolarHBondContact O-N 3.04Å; R566-Q569 VanDerWaalsContact O-N 3.1Å; R566-W570 VanDerWaalsContact O-CD1 3.28Å; R566-W570 PolarHBondContact O-N 2.92Å
567E90.3Very high85.2Confident94 Ų9487.6 Ų87.644%0.43945%0.448SS..Hα-helixtrans-59.2-38.1-177.9-16262-155.100111.8Y545 K549 Q569 W570 Q571Y545-E567 PolarHBondContact OH-OE1 2.86Å; K549-E567 IonicContact NZ-OE1 3.2Å; K549-E567 PolarHBondContact NZ-OE1 2.9Å; K549-E567 IonicContact NZ-OE2 2.59Å; K549-E567 PolarHBondContact NZ-OE2 3.4Å; E567-Q569 VanDerWaalsContact C-N 3.29Å; E567-Q569 PolarHBondContact O-N 3.14Å; E567-W570 PolarHBondContact O-N 3.47Å; E567-Q571 VanDerWaalsContact O-CG 3.29Å; E567-Q571 WeakPolarHBondContact O-CG 3.3Å; E567-Q571 PolarHBondContact O-N 3.14Å
568E91.1Very high85.9Confident124 Ų12484 Ų8458%0.57943%0.432SS*.Hα-helixtrans-60.4-40.2178.3-53.784.6175.600111.7R566 Q571 E572R566-E568 WeakPolarHBondContact CB-OE2 3.41Å; R566-E568 PolarHBondContact O-N 3.38Å; E568-Q571 PolarHBondContact O-N 3.03Å; E568-E572 WeakPolarHBondContact O-CG 3.49Å; E568-E572 PolarHBondContact O-N 2.8Å
569Q90.5Very high86.8Confident77 Ų7782.4 Ų82.436%0.3642%0.421SS..Hα-helixtrans-68.8-42.9179.5-57.7-180-9000111.4L565 R566 E567 Q571 E572 D573L565-Q569 HydrophobicContact CB-CB 4.32Å; R566-Q569 HydrophobicContact CB-CG 4.43Å; R566-Q569 PolarHBondContact O-N 3.04Å; R566-Q569 VanDerWaalsContact O-N 3.1Å; E567-Q569 VanDerWaalsContact C-N 3.29Å; E567-Q569 PolarHBondContact O-N 3.14Å; Q569-Q571 PolarHBondContact O-N 3.01Å; Q569-E572 PolarHBondContact O-N 3.06Å; Q569-D573 PolarHBondContact O-N 2.85Å
570W93.1Very high87.8Confident17 Ų1777.6 Ų77.66%0.06440%0.4CS..Hα-helixtrans-60.5-33.9173.9-71.9114.6000112.4Y545 W548 K549 E552 S553 F563 L565 R566 E567 W574Y545-W570 HydrophobicContact CE2-CB 4.27Å; Y545-W570 VanDerWaalsContact OH-CB 3.23Å; Y545-W570 WeakPolarHBondContact OH-CB 3.2Å; W548-W570 AromaticContact CH2-CE3 3.66Å; W548-W570 HydrophobicContact CH2-CE3 3.66Å; W548-W570 HydrophobicContact CH2-CZ3 4.11Å; W548-W570 HydrophobicContact CZ2-CE3 4.46Å; W548-W570 HydrophobicContact CZ2-CZ3 4.48Å; W548-W570 AromaticContact CZ3-CE3 3.72Å; W548-W570 HydrophobicContact CZ3-CE3 3.72Å; W548-W570 HydrophobicContact CZ3-CZ3 4.29Å; K549-W570 HydrophobicContact CD-CD2 4.39Å; K549-W570 HydrophobicContact CD-CG 4.4Å; K549-W570 HydrophobicContact CG-CD2 3.93Å; K549-W570 HydrophobicContact CG-CE3 4.01Å; K549-W570 HydrophobicContact CG-CG 4.44Å; K549-W570 HydrophobicContact CG-CH2 4.32Å; K549-W570 HydrophobicContact CG-CZ2 4.24Å; K549-W570 HydrophobicContact CG-CZ3 4.21Å; E552-W570 HydrophobicContact CB-CH2 3.97Å; E552-W570 HydrophobicContact CB-CZ3 3.85Å; S553-W570 WeakPolarHBondContact OG-CH2 3.45Å; S553-W570 WeakPolarHBondContact OG-CZ2 3.37Å; F563-W570 HydrophobicContact CE2-CH2 4.11Å; F563-W570 HydrophobicContact CE2-CZ2 4.11Å; L565-W570 HydrophobicContact CB-CD2 4.29Å; L565-W570 HydrophobicContact CB-CG 4.41Å; L565-W570 HydrophobicContact CB-CZ2 4.31Å; L565-W570 HydrophobicContact CD1-CD2 4.27Å; L565-W570 HydrophobicContact CD1-CE3 4.33Å; L565-W570 HydrophobicContact CD1-CH2 4.31Å; L565-W570 HydrophobicContact CD1-CZ2 4.23Å; L565-W570 HydrophobicContact CD1-CZ3 4.35Å; L565-W570 PolarHBondContact O-NE1 3.05Å; R566-W570 VanDerWaalsContact O-CD1 3.28Å; R566-W570 PolarHBondContact O-N 2.92Å; E567-W570 PolarHBondContact O-N 3.47Å; W570-W574 WeakPolarHBondContact O-CB 3.32Å; W570-W574 PolarHBondContact O-N 2.77Å
571Q94.4Very high88.7Confident87 Ų8775.1 Ų75.141%0.40737%0.374SS..Hα-helixtrans-75.4-35.1176.1-63-64.9-30.400112.1Y545 E567 E568 Q569 A575Y545-Q571 PolarHBondContact OH-NE2 3.44Å; Y545-Q571 VanDerWaalsContact OH-NE2 3.14Å; E567-Q571 VanDerWaalsContact O-CG 3.29Å; E567-Q571 WeakPolarHBondContact O-CG 3.3Å; E567-Q571 PolarHBondContact O-N 3.14Å; E568-Q571 PolarHBondContact O-N 3.03Å; Q569-Q571 PolarHBondContact O-N 3.01Å; Q571-A575 VanDerWaalsContact O-CB 3.23Å; Q571-A575 WeakPolarHBondContact O-CB 3.24Å; Q571-A575 PolarHBondContact O-N 2.88Å
572E92.7Very high89.5Confident140 Ų14072.9 Ų72.965%0.65437%0.368SS*.Hα-helixtrans-64.1-50.4172.8-75176.1171.400111.6E568 Q569 W574 A575 F576E568-E572 WeakPolarHBondContact O-CG 3.49Å; E568-E572 PolarHBondContact O-N 2.8Å; Q569-E572 PolarHBondContact O-N 3.06Å; E572-W574 VanDerWaalsContact C-N 3.35Å; E572-W574 PolarHBondContact O-N 3.46Å; E572-A575 PolarHBondContact O-N 2.87Å; E572-F576 PolarHBondContact O-N 3.31Å
573D93.8Very high90.3Very high78 Ų7869.5 Ų69.542%0.41735%0.352SS..Hα-helixtrans-63-40177.5-72.8-26000111.5W548 Q569 F576 I577W548-D573 HydrophobicContact CH2-CB 3.81Å; W548-D573 HydrophobicContact CZ2-CB 4.21Å; Q569-D573 PolarHBondContact O-N 2.85Å; D573-F576 WeakPolarHBondContact O-CB 3.48Å; D573-F576 PolarHBondContact O-N 2.79Å; D573-I577 WeakPolarHBondContact O-CG1 3.05Å; D573-I577 PolarHBondContact O-N 3.47Å; D573-I577 VanDerWaalsContact O-N 3.14Å
574W96.4Very high90.9Very high4 Ų470 Ų702%0.01537%0.366CS..Hα-helixtrans-64.9-45174.5-175.9-119.5000112.4L537 S541 F544 Y545 W548 W570 E572 F576 I577 L578 T591L537-W574 HydrophobicContact CD1-CH2 3.63Å; L537-W574 HydrophobicContact CD1-CZ2 3.72Å; S541-W574 WeakPolarHBondContact O-CZ2 3.09Å; S541-W574 PolarHBondContact OG-NE1 3.35Å; F544-W574 HydrophobicContact CB-CH2 3.71Å; F544-W574 HydrophobicContact CB-CZ2 3.99Å; Y545-W574 HydrophobicContact CD2-CB 3.79Å; Y545-W574 AromaticContact CD2-CD1 3.74Å; Y545-W574 AromaticContact CD2-CD2 3.72Å; Y545-W574 HydrophobicContact CD2-CD2 3.72Å; Y545-W574 HydrophobicContact CD2-CE3 4.26Å; Y545-W574 AromaticContact CD2-CG 3.48Å; Y545-W574 HydrophobicContact CD2-CG 3.48Å; Y545-W574 VanDerWaalsContact CD2-CG 3.48Å; Y545-W574 HydrophobicContact CE2-CB 3.95Å; Y545-W574 HydrophobicContact CE2-CG 4.14Å; Y545-W574 HydrophobicContact CG-CD2 4.44Å; Y545-W574 HydrophobicContact CG-CG 4.4Å; W548-W574 HydrophobicContact CB-CE3 4.32Å; W548-W574 HydrophobicContact CB-CH2 4.45Å; W548-W574 HydrophobicContact CB-CZ3 3.69Å; W548-W574 AromaticContact CD2-CE3 3.62Å; W548-W574 HydrophobicContact CD2-CE3 3.62Å; W548-W574 AromaticContact CD2-CZ3 3.87Å; W548-W574 HydrophobicContact CD2-CZ3 3.87Å; W548-W574 HydrophobicContact CE3-CB 4.48Å; W548-W574 HydrophobicContact CE3-CD2 4.27Å; W548-W574 AromaticContact CE3-CE3 3.48Å; W548-W574 HydrophobicContact CE3-CE3 3.48Å; W548-W574 VanDerWaalsContact CE3-CE3 3.48Å; W548-W574 HydrophobicContact CE3-CZ3 4.07Å; W548-W574 AromaticContact CG-CE3 4Å; W548-W574 HydrophobicContact CG-CE3 4Å; W548-W574 AromaticContact CG-CZ3 3.71Å; W548-W574 HydrophobicContact CG-CZ3 3.71Å; W548-W574 HydrophobicContact CH2-CB 4.28Å; W548-W574 HydrophobicContact CZ3-CB 3.89Å; W548-W574 HydrophobicContact CZ3-CE3 4.01Å; W570-W574 WeakPolarHBondContact O-CB 3.32Å; W570-W574 PolarHBondContact O-N 2.77Å; E572-W574 VanDerWaalsContact C-N 3.35Å; E572-W574 PolarHBondContact O-N 3.46Å; W574-F576 PolarHBondContact O-N 2.81Å; W574-I577 HydrophobicContact CE3-CB 4.43Å; W574-I577 HydrophobicContact CE3-CD1 4.33Å; W574-I577 HydrophobicContact CE3-CG2 4.46Å; W574-I577 HydrophobicContact CZ3-CG2 4.28Å; W574-I577 WeakPolarHBondContact O-CB 3.24Å; W574-I577 PolarHBondContact O-N 3.11Å; W574-L578 HydrophobicContact CZ2-CD2 3.82Å; W574-L578 WeakPolarHBondContact O-CG 3.43Å; W574-L578 PolarHBondContact O-N 3.33Å; W574-T591 HydrophobicContact CH2-CG2 3.82Å; W574-T591 HydrophobicContact CZ3-CG2 3.79Å
575A94.9Very high91Very high54 Ų5465.6 Ų65.645%0.44634%0.338SS..Hα-helixtrans-61.6-33.5177.300000112.2Q571 E572 S579Q571-A575 VanDerWaalsContact O-CB 3.23Å; Q571-A575 WeakPolarHBondContact O-CB 3.24Å; Q571-A575 PolarHBondContact O-N 2.88Å; E572-A575 PolarHBondContact O-N 2.87Å; A575-S579 WeakPolarHBondContact O-CB 3.24Å; A575-S579 PolarHBondContact O-N 3.45Å; A575-S579 VanDerWaalsContact O-N 3.1Å
576F94.8Very high91.3Very high119 Ų11964.5 Ų64.552%0.52234%0.335SS..Hα-helixtrans-61.8-49169.9178.2-104.7000111.6E572 D573 W574 L578 S579 L580E572-F576 PolarHBondContact O-N 3.31Å; D573-F576 WeakPolarHBondContact O-CB 3.48Å; D573-F576 PolarHBondContact O-N 2.79Å; W574-F576 PolarHBondContact O-N 2.81Å; F576-L578 PolarHBondContact O-N 3.49Å; F576-S579 WeakPolarHBondContact O-CB 3.33Å; F576-S579 PolarHBondContact O-N 2.77Å; F576-S579 PolarHBondContact O-OG 2.68Å; F576-L580 HydrophobicContact CE1-CD1 4.25Å; F576-L580 HydrophobicContact CE1-CD2 4.27Å; F576-L580 HydrophobicContact CE1-CG 4.45Å; F576-L580 HydrophobicContact CE2-CD2 4.44Å; F576-L580 HydrophobicContact CZ-CD2 3.97Å; F576-L580 PolarHBondContact O-N 3.11Å
577I95.1Very high91.4Very high5 Ų560.6 Ų60.63%0.02633%0.331CS..Hα-helixtrans-58.8-46.2177.1-66.9168.9000111.4W548 D573 W574 S579 L580 T591 H592W548-I577 HydrophobicContact CD2-CD1 4.27Å; W548-I577 VanDerWaalsContact CE2-CD1 3.42Å; W548-I577 HydrophobicContact CH2-CD1 4.46Å; W548-I577 HydrophobicContact CZ2-CD1 3.55Å; W548-I577 VanDerWaalsContact NE1-CD1 3.33Å; D573-I577 WeakPolarHBondContact O-CG1 3.05Å; D573-I577 PolarHBondContact O-N 3.47Å; D573-I577 VanDerWaalsContact O-N 3.14Å; W574-I577 HydrophobicContact CE3-CB 4.43Å; W574-I577 HydrophobicContact CE3-CD1 4.33Å; W574-I577 HydrophobicContact CE3-CG2 4.46Å; W574-I577 HydrophobicContact CZ3-CG2 4.28Å; W574-I577 WeakPolarHBondContact O-CB 3.24Å; W574-I577 PolarHBondContact O-N 3.11Å; I577-S579 PolarHBondContact O-N 2.84Å; I577-L580 WeakPolarHBondContact O-CB 3.4Å; I577-L580 PolarHBondContact O-N 3.27Å; I577-L580 VanDerWaalsContact O-N 3.12Å; I577-T591 HydrophobicContact CG2-CG2 4.37Å; I577-H592 PolarHBondContact O-NE2 2.78Å
578L94.4Very high91.6Very high33 Ų3356.8 Ų56.817%0.17331%0.314CS..Hα-helixtrans-56.2-36.3174.7-64.8-176.4000112.2L537 W574 F576 L580L537-L578 HydrophobicContact CD1-CD2 3.85Å; L537-L578 HydrophobicContact CD2-CD2 4.28Å; L537-L578 HydrophobicContact CG-CD2 3.62Å; W574-L578 HydrophobicContact CZ2-CD2 3.82Å; W574-L578 WeakPolarHBondContact O-CG 3.43Å; W574-L578 PolarHBondContact O-N 3.33Å; F576-L578 PolarHBondContact O-N 3.49Å; L578-L580 VanDerWaalsContact C-N 3.33Å; L578-L580 PolarHBondContact O-N 3.33Å
579S94.1Very high91.7Very high34 Ų3453.8 Ų53.824%0.23830%0.3CS..Hα-helixtrans-73.7-19.5-179.1840000114.1A575 F576 I577 S582 Q583A575-S579 WeakPolarHBondContact O-CB 3.24Å; A575-S579 PolarHBondContact O-N 3.45Å; A575-S579 VanDerWaalsContact O-N 3.1Å; F576-S579 WeakPolarHBondContact O-CB 3.33Å; F576-S579 PolarHBondContact O-N 2.77Å; F576-S579 PolarHBondContact O-OG 2.68Å; I577-S579 PolarHBondContact O-N 2.84Å; S579-S582 PolarHBondContact O-OG 2.86Å; S579-S582 VanDerWaalsContact O-OG 3.07Å; S579-Q583 WeakPolarHBondContact O-CG 3.26Å; S579-Q583 PolarHBondContact O-NE2 3.45Å; S579-Q583 PolarHBondContact OG-NE2 3.02Å
580L93.3Very high92Very high17 Ų1750.5 Ų50.59%0.08928%0.284CS..Hα-helixtrans-66.1-51.8177.3-64.7175.1000109.8R530 F576 I577 L578 S582 Q583 S586 L588 E589R530-L580 PolarHBondContact NH2-O 2.83Å; F576-L580 HydrophobicContact CE1-CD1 4.25Å; F576-L580 HydrophobicContact CE1-CD2 4.27Å; F576-L580 HydrophobicContact CE1-CG 4.45Å; F576-L580 HydrophobicContact CE2-CD2 4.44Å; F576-L580 HydrophobicContact CZ-CD2 3.97Å; F576-L580 PolarHBondContact O-N 3.11Å; I577-L580 WeakPolarHBondContact O-CB 3.4Å; I577-L580 PolarHBondContact O-N 3.27Å; I577-L580 VanDerWaalsContact O-N 3.12Å; L578-L580 VanDerWaalsContact C-N 3.33Å; L578-L580 PolarHBondContact O-N 3.33Å; L580-S582 PolarHBondContact O-N 3.44Å; L580-S582 VanDerWaalsContact O-N 3.09Å; L580-Q583 PolarHBondContact O-N 2.88Å; L580-S586 PolarHBondContact O-OG 2.89Å; L580-L588 HydrophobicContact CB-CD2 4.27Å; L580-E589 HydrophobicContact CD1-CG 4.02Å
581A92.1Very high92.2Very high2 Ų249.8 Ų49.82%0.01728%0.282CS..Hα-helixtrans-54.2-34.9-178.500000113.8R530 L533 H534 L537R530-A581 WeakPolarHBondContact CG-O 3.42Å; R530-A581 PolarHBondContact NE-O 2.86Å; R530-A581 VanDerWaalsContact NE-O 3.14Å; L533-A581 HydrophobicContact CG-CB 4.42Å; H534-A581 HydrophobicContact CB-CB 3.8Å; L537-A581 HydrophobicContact CD2-CB 4.38Å
582S89.2Confident92.4Very high62 Ų6245.7 Ų45.743%0.43426%0.263SS..Hα-helixtrans-79.4-17.2179.163.10000115.4S579 L580 P584S579-S582 PolarHBondContact O-OG 2.86Å; S579-S582 VanDerWaalsContact O-OG 3.07Å; L580-S582 PolarHBondContact O-N 3.44Å; L580-S582 VanDerWaalsContact O-N 3.09Å; S582-P584 WeakPolarHBondContact O-CD 3.37Å
583Q87.7Confident92.7Very high96 Ų9639 Ų3945%0.44923%0.232SC..SBendtrans-92.1112-179.1-73.417273.400110.4R530 S579 L580 S586R530-Q583 PolarHBondContact NE-O 3.2Å; R530-Q583 PolarHBondContact NH2-O 3.4Å; S579-Q583 WeakPolarHBondContact O-CG 3.26Å; S579-Q583 PolarHBondContact O-NE2 3.45Å; S579-Q583 PolarHBondContact OG-NE2 3.02Å; L580-Q583 PolarHBondContact O-N 2.88Å; Q583-S586 WeakPolarHBondContact O-CB 3.29Å; Q583-S586 PolarHBondContact O-N 3.04Å
584P83.7Confident92.9Very high110 Ų11035.3 Ų35.371%0.71421%0.212SC*.THydrogen-bonded Turntrans-57.8140.9-179.6-24.535.1000112.4S582 S586S582-P584 WeakPolarHBondContact O-CD 3.37Å; P584-S586 PolarHBondContact O-N 3.35Å; P584-S586 VanDerWaalsContact O-N 3.12Å
585G80.1Confident93Very high23 Ų2335.1 Ų35.124%0.23721%0.211CC..THydrogen-bonded Turntrans71.9-7.2-179.600000115.8G508 D509G508-G585 WeakPolarHBondContact CA-O 3.22Å; D509-G585 VanDerWaalsContact OD1-CA 3.27Å; D509-G585 WeakPolarHBondContact OD1-CA 3.29Å; D509-G585 PolarHBondContact OD1-N 2.97Å
586S87.9Confident93.2Very high24 Ų2432.6 Ų32.617%0.16819%0.19CC..  trans-67142.6178.91020000111.2R530 L580 Q583 P584R530-S586 PolarHBondContact NH1-O 3.33Å; R530-S586 PolarHBondContact NH2-O 2.97Å; R530-S586 VanDerWaalsContact NH2-O 3.12Å; R530-S586 PolarHBondContact NH2-OG 2.79Å; L580-S586 PolarHBondContact O-OG 2.89Å; Q583-S586 WeakPolarHBondContact O-CB 3.29Å; Q583-S586 PolarHBondContact O-N 3.04Å; P584-S586 PolarHBondContact O-N 3.35Å; P584-S586 VanDerWaalsContact O-N 3.12Å
587S89.7Confident93.4Very high73 Ų7326.9 Ų26.951%0.5117%0.165SC..  trans-57.4142.4171.9-45.10000110.9
588L94Very high93.6Very high13 Ų1326.7 Ų26.77%0.06816%0.164CC..  trans-116.7135.2-175.8-64.9179.8000111L511 L512 L533 L580 H592L511-L588 HydrophobicContact CB-CD1 4.48Å; L511-L588 HydrophobicContact CD2-CB 3.78Å; L511-L588 HydrophobicContact CD2-CD1 4Å; L512-L588 HydrophobicContact CD1-CD1 4.1Å; L512-L588 HydrophobicContact CD2-CD1 4.29Å; L512-L588 HydrophobicContact CG-CD1 4.05Å; L533-L588 HydrophobicContact CD2-CD1 3.84Å; L580-L588 HydrophobicContact CB-CD2 4.27Å; L588-H592 HydrophobicContact CB-CB 4.09Å
589E93.6Very high93.8Very high62 Ų6225.1 Ų25.129%0.2916%0.156SC..  trans-93.3176.5-177.2-57.1-164.9161.200114.2L580 T591 H592L580-E589 HydrophobicContact CD1-CG 4.02Å; E589-T591 PolarHBondContact O-N 2.87Å; E589-T591 VanDerWaalsContact O-N 3.12Å; E589-H592 PolarHBondContact N-ND1 2.96Å; E589-H592 WeakPolarHBondContact O-CB 3.49Å; E589-H592 PolarHBondContact O-N 3.22Å; E589-H592 PolarHBondContact O-ND1 3.21Å
590Q96.2Very high94Very high7 Ų723.6 Ų23.63%0.03315%0.145CC..Hα-helixtrans-51.1-39.4-174.9-64.177.143.100113.3W551 H592 I593 F594 R624 F625 Y629 F698W551-Q590 HydrophobicContact CH2-CB 4.39Å; W551-Q590 HydrophobicContact CH2-CG 4.18Å; Q590-H592 PolarHBondContact O-N 2.94Å; Q590-I593 WeakPolarHBondContact O-CB 3.25Å; Q590-I593 PolarHBondContact O-N 3.43Å; Q590-I593 VanDerWaalsContact O-N 3.08Å; Q590-F594 PolarHBondContact O-N 3.23Å; Q590-F594 VanDerWaalsContact O-N 3.15Å; Q590-R624 HydrophobicContact CG-CB 4.24Å; Q590-R624 VanDerWaalsContact CG-O 3.32Å; Q590-R624 WeakPolarHBondContact CG-O 3.18Å; Q590-F625 HydrophobicContact CG-CD1 3.86Å; Q590-F625 HydrophobicContact CG-CE1 4.05Å; Q590-F625 VanDerWaalsContact NE2-CD1 3.27Å; Q590-F625 VanDerWaalsContact NE2-CE2 3.29Å; Q590-Y629 HydrophobicContact CB-CE1 4.16Å; Q590-Y629 WeakPolarHBondContact O-CE1 3.12Å; Q590-F698 HydrophobicContact CB-CE2 4.07Å; Q590-F698 HydrophobicContact CB-CZ 3.91Å
591T98.1Very high94.3Very high3 Ų324.1 Ų24.12%0.01815%0.146CC..Hα-helixtrans-54.9-37.3176.9-50.40000112.3L537 W574 I577 E589 F594 V595L537-T591 HydrophobicContact CD1-CG2 4.35Å; W574-T591 HydrophobicContact CH2-CG2 3.82Å; W574-T591 HydrophobicContact CZ3-CG2 3.79Å; I577-T591 HydrophobicContact CG2-CG2 4.37Å; E589-T591 PolarHBondContact O-N 2.87Å; E589-T591 VanDerWaalsContact O-N 3.12Å; T591-F594 WeakPolarHBondContact O-CB 3.19Å; T591-F594 PolarHBondContact O-N 2.81Å; T591-V595 WeakPolarHBondContact O-CG2 3.5Å; T591-V595 PolarHBondContact O-N 2.84Å
592H98.4Very high94.5Very high0 Ų024.2 Ų24.20%015%0.146CC..Hα-helixtrans-69.9-35.2179.9-57.591.4000111.9L511 L533 I577 L588 E589 Q590 F594 V595 L596L511-H592 HydrophobicContact CD2-CB 4.36Å; L533-H592 HydrophobicContact CD1-CB 4.16Å; L533-H592 HydrophobicContact CD2-CB 4Å; I577-H592 PolarHBondContact O-NE2 2.78Å; L588-H592 HydrophobicContact CB-CB 4.09Å; E589-H592 PolarHBondContact N-ND1 2.96Å; E589-H592 WeakPolarHBondContact O-CB 3.49Å; E589-H592 PolarHBondContact O-N 3.22Å; E589-H592 PolarHBondContact O-ND1 3.21Å; Q590-H592 PolarHBondContact O-N 2.94Å; H592-F594 VanDerWaalsContact C-N 3.32Å; H592-V595 PolarHBondContact O-N 3.24Å; H592-L596 WeakPolarHBondContact O-CB 3.37Å; H592-L596 WeakPolarHBondContact O-CG 3.37Å; H592-L596 PolarHBondContact O-N 3.39Å
593I98.8Very high95Very high0 Ų021.3 Ų21.30%013%0.125CC..Hα-helixtrans-66-39.2174.4-53.8165.4000110L511 Q590 L596 A597 I604 V606 F625 Y629 F653L511-I593 HydrophobicContact CD1-CD1 4.49Å; L511-I593 HydrophobicContact CD1-CG1 3.91Å; L511-I593 HydrophobicContact CD2-CG1 3.8Å; Q590-I593 WeakPolarHBondContact O-CB 3.25Å; Q590-I593 PolarHBondContact O-N 3.43Å; Q590-I593 VanDerWaalsContact O-N 3.08Å; I593-L596 PolarHBondContact O-N 2.81Å; I593-A597 PolarHBondContact O-N 2.86Å; I593-I604 HydrophobicContact CG2-CB 4.16Å; I593-I604 HydrophobicContact CG2-CD1 4.03Å; I593-I604 HydrophobicContact CG2-CG2 3.89Å; I593-V606 HydrophobicContact CD1-CG2 4.34Å; I593-V606 HydrophobicContact CG2-CG2 4.33Å; I593-F625 HydrophobicContact CD1-CD1 3.63Å; I593-F625 HydrophobicContact CD1-CE1 3.96Å; I593-Y629 HydrophobicContact CB-CD1 3.81Å; I593-Y629 HydrophobicContact CB-CE1 3.8Å; I593-Y629 HydrophobicContact CB-CG 4.18Å; I593-Y629 HydrophobicContact CD1-CE1 4.26Å; I593-Y629 HydrophobicContact CD1-CE2 4.37Å; I593-Y629 HydrophobicContact CG2-CD1 3.77Å; I593-Y629 HydrophobicContact CG2-CD2 3.71Å; I593-Y629 HydrophobicContact CG2-CE1 4.05Å; I593-Y629 HydrophobicContact CG2-CE2 4.02Å; I593-Y629 HydrophobicContact CG2-CG 3.59Å; I593-F653 HydrophobicContact CD1-CE1 3.97Å; I593-F653 HydrophobicContact CD1-CZ 3.84Å
594F98.8Very high95.5Very high1 Ų116.7 Ų16.70%0.00410%0.104CC..Hα-helixtrans-62.5-46.1173.8-174.3-116.4000112.1F544 R547 Q590 T591 H592 L596 A597 H598 Y629 L630 L632 F698F544-F594 AromaticContact CD1-CD1 3.81Å; F544-F594 HydrophobicContact CD1-CD1 3.81Å; F544-F594 AromaticContact CD1-CE1 3.87Å; F544-F594 HydrophobicContact CD1-CE1 3.87Å; F544-F594 HydrophobicContact CE1-CD1 4.02Å; F544-F594 HydrophobicContact CE1-CE1 4.09Å; R547-F594 HydrophobicContact CB-CE1 4.09Å; R547-F594 HydrophobicContact CG-CE1 4.19Å; R547-F594 HydrophobicContact CG-CZ 4.35Å; Q590-F594 PolarHBondContact O-N 3.23Å; Q590-F594 VanDerWaalsContact O-N 3.15Å; T591-F594 WeakPolarHBondContact O-CB 3.19Å; T591-F594 PolarHBondContact O-N 2.81Å; H592-F594 VanDerWaalsContact C-N 3.32Å; F594-L596 PolarHBondContact O-N 2.69Å; F594-A597 PolarHBondContact O-N 2.86Å; F594-H598 AromaticContact CE1-CE1 3.7Å; F594-H598 AromaticContact CE2-CE1 3.72Å; F594-H598 AromaticContact CZ-CE1 3.57Å; F594-H598 PolarHBondContact O-N 2.72Å; F594-H598 PolarHBondContact O-ND1 2.8Å; F594-Y629 HydrophobicContact CB-CD1 4.25Å; F594-L630 WeakPolarHBondContact CD2-O 3.45Å; F594-L630 WeakPolarHBondContact CE2-O 3.41Å; F594-L632 HydrophobicContact CE2-CB 4.36Å; F594-L632 HydrophobicContact CE2-CD1 4.09Å; F594-L632 HydrophobicContact CE2-CG 4.23Å; F594-L632 HydrophobicContact CZ-CB 4.28Å; F594-L632 HydrophobicContact CZ-CD1 4.38Å; F594-F698 HydrophobicContact CB-CD2 3.45Å; F594-F698 VanDerWaalsContact CB-CD2 3.45Å; F594-F698 HydrophobicContact CB-CE2 3.65Å; F594-F698 HydrophobicContact CB-CG 4.33Å; F594-F698 HydrophobicContact CD1-CB 4.13Å; F594-F698 HydrophobicContact CD1-CD2 4.01Å; F594-F698 HydrophobicContact CD1-CG 4.05Å; F594-F698 HydrophobicContact CD2-CB 3.85Å; F594-F698 AromaticContact CD2-CD2 3.66Å; F594-F698 HydrophobicContact CD2-CD2 3.66Å; F594-F698 HydrophobicContact CD2-CG 4.1Å; F594-F698 HydrophobicContact CE1-CB 3.93Å; F594-F698 HydrophobicContact CE1-CG 4.32Å; F594-F698 HydrophobicContact CE2-CB 3.63Å; F594-F698 HydrophobicContact CE2-CD2 4.34Å; F594-F698 HydrophobicContact CE2-CG 4.36Å; F594-F698 HydrophobicContact CG-CB 4.09Å; F594-F698 AromaticContact CG-CD2 3.46Å; F594-F698 HydrophobicContact CG-CD2 3.46Å; F594-F698 VanDerWaalsContact CG-CD2 3.46Å; F594-F698 HydrophobicContact CG-CE2 4.17Å; F594-F698 AromaticContact CG-CG 3.93Å; F594-F698 HydrophobicContact CG-CG 3.93Å; F594-F698 HydrophobicContact CZ-CB 3.67Å; F594-F698 HydrophobicContact CZ-CG 4.46Å
595V98.8Very high96.3Very high0 Ų011.5 Ų11.50%07%0.07CC..Hα-helixtrans-62.5-42.1174.4-179.40000111.2L533 L537 F544 T591 H592 A597 H598 I599L533-V595 HydrophobicContact CD1-CB 3.65Å; L533-V595 HydrophobicContact CD1-CG1 3.63Å; L533-V595 HydrophobicContact CD1-CG2 4.43Å; L537-V595 HydrophobicContact CB-CG1 4.45Å; L537-V595 HydrophobicContact CB-CG2 4.24Å; L537-V595 HydrophobicContact CD1-CG2 3.98Å; F544-V595 HydrophobicContact CD1-CG2 3.86Å; F544-V595 HydrophobicContact CD2-CG2 3.99Å; F544-V595 HydrophobicContact CE1-CB 4.41Å; F544-V595 HydrophobicContact CE1-CG2 3.76Å; F544-V595 HydrophobicContact CE2-CG1 4.16Å; F544-V595 HydrophobicContact CE2-CG2 3.88Å; F544-V595 HydrophobicContact CG-CG2 3.98Å; F544-V595 HydrophobicContact CZ-CB 4.22Å; F544-V595 HydrophobicContact CZ-CG1 4.04Å; F544-V595 HydrophobicContact CZ-CG2 3.77Å; T591-V595 WeakPolarHBondContact O-CG2 3.5Å; T591-V595 PolarHBondContact O-N 2.84Å; H592-V595 PolarHBondContact O-N 3.24Å; V595-A597 VanDerWaalsContact C-N 3.33Å; V595-A597 PolarHBondContact O-N 3.33Å; V595-H598 WeakPolarHBondContact O-CB 3.43Å; V595-H598 PolarHBondContact O-N 3.41Å; V595-I599 HydrophobicContact CG1-CD1 3.92Å; V595-I599 HydrophobicContact CG1-CG1 4.47Å; V595-I599 PolarHBondContact O-N 2.87Å
596L98.9Very high97.2Very high0 Ų010.4 Ų10.40%06%0.058CC..Hα-helixtrans-60-39.9176.3-74165.9000112L511 L512 V515 L529 L533 H592 I593 F594 H598 I599 L600 I604L511-L596 HydrophobicContact CD1-CD1 4.47Å; L511-L596 HydrophobicContact CD2-CD1 3.9Å; L511-L596 HydrophobicContact CG-CD1 3.96Å; L512-L596 HydrophobicContact CD2-CD1 3.95Å; L512-L596 HydrophobicContact CD2-CD2 3.99Å; V515-L596 HydrophobicContact CG2-CD1 4.37Å; L529-L596 HydrophobicContact CD1-CD2 3.87Å; L529-L596 HydrophobicContact CD2-CD2 3.96Å; L529-L596 HydrophobicContact CG-CD2 3.83Å; L533-L596 HydrophobicContact CB-CD2 4.39Å; L533-L596 HydrophobicContact CD1-CG 4.3Å; L533-L596 HydrophobicContact CD2-CD1 4.42Å; L533-L596 HydrophobicContact CD2-CG 4.41Å; H592-L596 WeakPolarHBondContact O-CB 3.37Å; H592-L596 WeakPolarHBondContact O-CG 3.37Å; H592-L596 PolarHBondContact O-N 3.39Å; I593-L596 PolarHBondContact O-N 2.81Å; F594-L596 PolarHBondContact O-N 2.69Å; L596-H598 PolarHBondContact O-N 2.79Å; L596-I599 HydrophobicContact CD2-CD1 4.43Å; L596-I599 PolarHBondContact O-N 2.85Å; L596-I599 VanDerWaalsContact O-N 3.1Å; L596-L600 VanDerWaalsContact O-CG 3.3Å; L596-L600 WeakPolarHBondContact O-CG 3.19Å; L596-L600 PolarHBondContact O-N 2.8Å; L596-I604 HydrophobicContact CB-CD1 3.94Å
597A98.9Very high97.7Very high0 Ų09.5 Ų9.50%05%0.051CC..Hα-helixtrans-58.3-35.3174.100000112.5I593 F594 V595 R601 R602 I604I593-A597 PolarHBondContact O-N 2.86Å; F594-A597 PolarHBondContact O-N 2.86Å; V595-A597 VanDerWaalsContact C-N 3.33Å; V595-A597 PolarHBondContact O-N 3.33Å; A597-R601 WeakPolarHBondContact O-CA 3.22Å; A597-R601 PolarHBondContact O-N 3.49Å; A597-R602 PolarHBondContact O-N 2.84Å; A597-I604 HydrophobicContact CB-CD1 4.17Å; A597-I604 HydrophobicContact CB-CG1 4.06Å
598H98.8Very high97.9Very high0 Ų06 Ų60%03%0.027CC..Hα-helixtrans-71.3-39.7174.1-64.779.4000112.4F544 F594 V595 L596 R601 P631 L632 L633 W634F544-H598 AromaticContact CE1-ND1 3.86Å; F594-H598 AromaticContact CE1-CE1 3.7Å; F594-H598 AromaticContact CE2-CE1 3.72Å; F594-H598 AromaticContact CZ-CE1 3.57Å; F594-H598 PolarHBondContact O-N 2.72Å; F594-H598 PolarHBondContact O-ND1 2.8Å; V595-H598 WeakPolarHBondContact O-CB 3.43Å; V595-H598 PolarHBondContact O-N 3.41Å; L596-H598 PolarHBondContact O-N 2.79Å; H598-R601 PolarHBondContact O-N 3.09Å; H598-P631 WeakPolarHBondContact NE2-CA 3.42Å; H598-L632 PolarHBondContact NE2-N 3.41Å; H598-L633 WeakPolarHBondContact NE2-CB 3.46Å; H598-L633 PolarHBondContact NE2-N 3.05Å; H598-W634 AromaticContact CD2-CD1 3.97Å; H598-W634 PolarHBondContact O-NE1 3.44Å
599I98.8Very high97.7Very high0 Ų05.7 Ų5.70%03%0.026CC..Hα-helixtrans-65.9-42.3176.8-65.5163.8000110.9L430 Y440 F441 L442 L529 T532 L533 V595 L596 R601L430-I599 HydrophobicContact CD2-CG2 3.9Å; Y440-I599 WeakPolarHBondContact O-CA 3.31Å; F441-I599 CarbonylContact C-O 3.5Å; F441-I599 VanDerWaalsContact CA-O 3.28Å; F441-I599 WeakPolarHBondContact CA-O 3.49Å; L442-I599 PolarHBondContact N-O 2.74Å; L529-I599 HydrophobicContact CD1-CG2 4.17Å; T532-I599 HydrophobicContact CG2-CD1 4.12Å; T532-I599 HydrophobicContact CG2-CG1 4.44Å; T532-I599 HydrophobicContact CG2-CG2 3.95Å; L533-I599 HydrophobicContact CB-CD1 4.32Å; V595-I599 HydrophobicContact CG1-CD1 3.92Å; V595-I599 HydrophobicContact CG1-CG1 4.47Å; V595-I599 PolarHBondContact O-N 2.87Å; L596-I599 HydrophobicContact CD2-CD1 4.43Å; L596-I599 PolarHBondContact O-N 2.85Å; L596-I599 VanDerWaalsContact O-N 3.1Å; I599-R601 PolarHBondContact O-N 2.84Å
600L98.6Very high97.2Very high3 Ų36 Ų62%0.0163%0.026CC..THydrogen-bonded Turntrans-75.9-7.5175.1-57.3178.7000113.4L442 V515 L596 R602 I604 W640 I644L442-L600 HydrophobicContact CD1-CD2 3.67Å; V515-L600 HydrophobicContact CG1-CD1 3.7Å; V515-L600 HydrophobicContact CG1-CD2 3.89Å; V515-L600 HydrophobicContact CG1-CG 4.24Å; L596-L600 VanDerWaalsContact O-CG 3.3Å; L596-L600 WeakPolarHBondContact O-CG 3.19Å; L596-L600 PolarHBondContact O-N 2.8Å; L600-R602 HydrophobicContact CB-CG 3.84Å; L600-R602 PolarHBondContact O-N 3.09Å; L600-I604 HydrophobicContact CD1-CD1 3.9Å; L600-I604 HydrophobicContact CD1-CG1 4.18Å; L600-W640 VanDerWaalsContact O-CZ3 3.3Å; L600-W640 WeakPolarHBondContact O-CZ3 3.32Å; L600-I644 HydrophobicContact CD1-CD1 3.58Å; L600-I644 HydrophobicContact CD1-CG1 4.31Å
601R98.4Very high96.5Very high28 Ų2811.6 Ų11.611%0.1065%0.048CC..THydrogen-bonded Turntrans47.329.2-171.7-72.5163.253.6-138.6-8.1113.6F441 L442 T443 A597 H598 I599 F638 C639 W640F441-R601 HydrophobicContact CB-CG 3.89Å; L442-R601 WeakPolarHBondContact O-CD 3.38Å; L442-R601 PolarHBondContact O-NH1 2.74Å; T443-R601 PolarHBondContact O-NH1 2.88Å; A597-R601 WeakPolarHBondContact O-CA 3.22Å; A597-R601 PolarHBondContact O-N 3.49Å; H598-R601 PolarHBondContact O-N 3.09Å; I599-R601 PolarHBondContact O-N 2.84Å; R601-F638 VanDerWaalsContact CD-CE1 3.49Å; R601-F638 HydrophobicContact CG-CD1 4.15Å; R601-F638 HydrophobicContact CG-CE1 3.86Å; R601-F638 HydrophobicContact CG-CZ 4.48Å; R601-F638 VanDerWaalsContact CZ-O 3.27Å; R601-F638 PolarHBondContact NE-O 3.14Å; R601-F638 PolarHBondContact NH2-O 3.34Å; R601-C639 CarbonylContact O-C 3.47Å; R601-C639 WeakPolarHBondContact O-CA 3.43Å; R601-C639 VanDerWaalsContact O-CB 3.25Å; R601-C639 WeakPolarHBondContact O-CB 3.1Å; R601-W640 HydrophobicContact CB-CE3 3.74Å; R601-W640 HydrophobicContact CB-CZ3 3.74Å; R601-W640 VanDerWaalsContact NH1-CZ2 3.32Å; R601-W640 PolarHBondContact O-N 3.48Å
602R98.3Very high95.3Very high4 Ų415.4 Ų15.42%0.0156%0.062CC..SBendtrans-147.3150.8-177.875.6-165.9-70.1-169.3-0.6110.8L445 V446 T447 A597 L600 W640 S642 P643L445-R602 VanDerWaalsContact CD1-CZ 3.48Å; V446-R602 PolarHBondContact O-NH1 3.46Å; T447-R602 PolarHBondContact OG1-NH1 3.1Å; T447-R602 PolarHBondContact OG1-NH2 3.36Å; A597-R602 PolarHBondContact O-N 2.84Å; L600-R602 HydrophobicContact CB-CG 3.84Å; L600-R602 PolarHBondContact O-N 3.09Å; R602-W640 HydrophobicContact CB-CB 4.33Å; R602-S642 VanDerWaalsContact CZ-O 3.29Å; R602-S642 PolarHBondContact NE-O 2.91Å; R602-S642 PolarHBondContact NH2-O 2.94Å; R602-S642 PolarHBondContact NH2-OG 3.27Å; R602-P643 PolarHBondContact NH2-O 3.18Å
603P98.8Very high94Very high0 Ų018.8 Ų18.80%08%0.077CC..  trans-59.4147.8175.2-28.338.3000114Y629 L630 W640 P643 I644 L718P603-Y629 WeakPolarHBondContact CA-O 3.49Å; P603-L630 HydrophobicContact CB-CD2 3.89Å; P603-L630 HydrophobicContact CG-CD2 3.86Å; P603-W640 WeakPolarHBondContact CD-O 3.28Å; P603-P643 HydrophobicContact CB-CB 4.17Å; P603-P643 VanDerWaalsContact O-CA 3.24Å; P603-P643 WeakPolarHBondContact O-CA 3.25Å; P603-I644 PolarHBondContact O-N 2.65Å; P603-I644 VanDerWaalsContact O-N 3.08Å; P603-L718 HydrophobicContact CB-CD2 3.66Å; P603-L718 HydrophobicContact CB-CG 4.35Å; P603-L718 HydrophobicContact CG-CD2 3.65Å; P603-L718 HydrophobicContact CG-CG 4.04Å
604I98.9Very high92.4Very high0 Ų019.3 Ų19.30%08%0.081CC..EExtended strand (participates in β ladder)trans-115128.6169.3-55.7179.7000107.9I593 L596 A597 L600 V606 Y629 I644 L646I593-I604 HydrophobicContact CG2-CB 4.16Å; I593-I604 HydrophobicContact CG2-CD1 4.03Å; I593-I604 HydrophobicContact CG2-CG2 3.89Å; L596-I604 HydrophobicContact CB-CD1 3.94Å; A597-I604 HydrophobicContact CB-CD1 4.17Å; A597-I604 HydrophobicContact CB-CG1 4.06Å; L600-I604 HydrophobicContact CD1-CD1 3.9Å; L600-I604 HydrophobicContact CD1-CG1 4.18Å; I604-V606 HydrophobicContact CG2-CG2 4.23Å; I604-Y629 PolarHBondContact N-O 2.78Å; I604-Y629 PolarHBondContact O-N 2.62Å; I604-I644 HydrophobicContact CB-CG1 4.35Å; I604-I644 HydrophobicContact CD1-CD1 4.37Å; I604-I644 HydrophobicContact CG1-CD1 4.12Å; I604-I644 HydrophobicContact CG1-CG1 3.89Å; I604-I644 HydrophobicContact CG2-CG1 4.22Å; I604-L646 HydrophobicContact CG2-CD1 3.6Å; I604-L646 HydrophobicContact CG2-CG 3.98Å
605I98.9Very high90.7Very high0 Ų023.6 Ų23.60%010%0.099CC..EExtended strand (participates in β ladder)trans-106.9128.4173.5-54.4171.6000108Y607 V628 P643 I644 A645 L646 L684 L686 L694 A730I605-Y607 HydrophobicContact CB-CE2 4.38Å; I605-Y607 HydrophobicContact CG2-CD2 4.33Å; I605-Y607 HydrophobicContact CG2-CE1 4.05Å; I605-Y607 HydrophobicContact CG2-CE2 3.69Å; I605-V628 HydrophobicContact CG1-CG1 4.4Å; I605-P643 HydrophobicContact CD1-CB 3.86Å; I605-P643 HydrophobicContact CD1-CG 3.84Å; I605-P643 HydrophobicContact CG1-CB 4.07Å; I605-I644 PolarHBondContact N-O 2.64Å; I605-A645 CarbonylContact O-C 3.52Å; I605-A645 WeakPolarHBondContact O-CA 3.3Å; I605-L646 PolarHBondContact O-N 3.45Å; I605-L684 HydrophobicContact CD1-CB 4.24Å; I605-L684 HydrophobicContact CD1-CD1 4.35Å; I605-L686 HydrophobicContact CD1-CD2 3.9Å; I605-L694 HydrophobicContact CG2-CD1 4.18Å; I605-A730 HydrophobicContact CD1-CB 4.12Å
606V98.8Very high89.3Confident0 Ų032 Ų320%013%0.131CC..EExtended strand (participates in β ladder)trans-113.8121.6178.3-177.20000109.6I593 I604 F625 Q626 G627 Y629 L646 F653I593-V606 HydrophobicContact CD1-CG2 4.34Å; I593-V606 HydrophobicContact CG2-CG2 4.33Å; I604-V606 HydrophobicContact CG2-CG2 4.23Å; V606-F625 WeakPolarHBondContact CB-O 3.43Å; V606-F625 HydrophobicContact CG1-CB 4.29Å; V606-F625 WeakPolarHBondContact CG1-O 3.15Å; V606-Q626 VanDerWaalsContact O-CA 3.31Å; V606-Q626 WeakPolarHBondContact O-CA 3.4Å; V606-G627 PolarHBondContact N-O 2.8Å; V606-G627 PolarHBondContact O-N 3.37Å; V606-Y629 HydrophobicContact CB-CE2 4.03Å; V606-Y629 HydrophobicContact CG2-CD2 3.91Å; V606-Y629 HydrophobicContact CG2-CE2 3.48Å; V606-Y629 VanDerWaalsContact CG2-CE2 3.48Å; V606-L646 WeakPolarHBondContact CA-O 3.45Å; V606-L646 HydrophobicContact CG2-CB 4.34Å; V606-L646 HydrophobicContact CG2-CD1 4.49Å; V606-F653 HydrophobicContact CG1-CE1 4.39Å
607Y98.4Very high87.7Confident5 Ų534.3 Ų34.32%0.0216%0.155CC..EExtended strand (participates in β ladder)trans-104125.5171.4-59.1-75.4000108.2I485 L499 I605 A645 L646 G647 Y648 L656 P685 L694I485-Y607 HydrophobicContact CG2-CG 4.22Å; L499-Y607 HydrophobicContact CD1-CE2 4.24Å; I605-Y607 HydrophobicContact CB-CE2 4.38Å; I605-Y607 HydrophobicContact CG2-CD2 4.33Å; I605-Y607 HydrophobicContact CG2-CE1 4.05Å; I605-Y607 HydrophobicContact CG2-CE2 3.69Å; Y607-A645 HydrophobicContact CD2-CB 4.39Å; Y607-A645 HydrophobicContact CE2-CB 4.05Å; Y607-L646 PolarHBondContact N-O 3.35Å; Y607-G647 CarbonylContact O-C 3.53Å; Y607-G647 VanDerWaalsContact O-CA 3.29Å; Y607-G647 WeakPolarHBondContact O-CA 3.43Å; Y607-Y648 PolarHBondContact O-N 2.75Å; Y607-L656 HydrophobicContact CD2-CD1 3.82Å; Y607-L656 HydrophobicContact CG-CD1 4.42Å; Y607-P685 HydrophobicContact CE1-CG 3.99Å; Y607-P685 WeakPolarHBondContact CE1-O 3.49Å; Y607-P685 VanDerWaalsContact OH-CD 3.31Å; Y607-P685 WeakPolarHBondContact OH-CD 3.49Å; Y607-P685 PolarHBondContact OH-O 3.19Å; Y607-L694 HydrophobicContact CD1-CD1 4.46Å; Y607-L694 HydrophobicContact CE1-CD1 3.89Å
608G95Very high86.7Confident0 Ų039.6 Ų39.60%018%0.18CC..EExtended strand (participates in β ladder)trans-168.7163.8-175.400000115.4K610 Q626 Y648G608-K610 PolarHBondContact O-N 2.69Å; G608-Q626 PolarHBondContact O-OE1 3.05Å; G608-Y648 WeakPolarHBondContact CA-O 3.27Å
609V89.5Confident85.8Confident6 Ų643.8 Ų43.84%0.03621%0.205CC..  trans-62.3118.5-174.3-65.50000111.3E477 L478 I484 Y611 T623 Y648E477-V609 HydrophobicContact CG-CG1 3.95Å; L478-V609 HydrophobicContact CD2-CG1 4.45Å; I484-V609 HydrophobicContact CD1-CB 4.31Å; I484-V609 HydrophobicContact CD1-CG1 3.65Å; V609-Y611 PolarHBondContact O-N 3.1Å; V609-T623 HydrophobicContact CG2-CG2 4.26Å; V609-T623 WeakPolarHBondContact O-CB 3.24Å; V609-T623 WeakPolarHBondContact O-CG2 3.31Å; V609-T623 PolarHBondContact O-OG1 3.32Å; V609-Y648 PolarHBondContact N-O 2.9Å; V609-Y648 VanDerWaalsContact N-O 3.11Å
610K84.1Confident84.6Confident70 Ų7047.2 Ų47.230%0.30422%0.223SC..SBendtrans-54.7-26.6177-68.5174.9179.8171.50112.4G608 Y622 T623 D688 E690G608-K610 PolarHBondContact O-N 2.69Å; K610-Y622 HydrophobicContact CB-CE2 4.28Å; K610-Y622 WeakPolarHBondContact O-CD2 3.18Å; K610-Y622 WeakPolarHBondContact O-CE2 3.32Å; K610-T623 PolarHBondContact O-N 3.22Å; K610-D688 WeakPolarHBondContact CE-OD2 3.39Å; K610-D688 IonicContact NZ-OD2 3.19Å; K610-D688 PolarHBondContact NZ-OD2 3.11Å; K610-E690 IonicContact NZ-OE2 2.74Å
611Y80.9Confident83.3Confident124 Ų12448 Ų4849%0.48623%0.231SC..EExtended strand (participates in β ladder)trans-134.2139.9178.2-60.7-82.1000111.3V609 T619 G621 Y622V609-Y611 PolarHBondContact O-N 3.1Å; Y611-T619 HydrophobicContact CD1-CG2 3.58Å; Y611-T619 HydrophobicContact CE1-CG2 4.4Å; Y611-T619 HydrophobicContact CG-CG2 4.05Å; Y611-G621 WeakPolarHBondContact CA-O 3.25Å; Y611-Y622 HydrophobicContact CD1-CD2 4.01Å; Y611-Y622 AromaticContact CE1-CD2 3.69Å; Y611-Y622 HydrophobicContact CE1-CD2 3.69Å
612Y72.7Confident82.4Confident82 Ų8251.7 Ų51.732%0.32225%0.246SC..EExtended strand (participates in β ladder)trans-92.2130.8167.565.9-83000110.3M26 L620 G621 T623M26-Y612 HydrophobicContact CE-CD2 4.3Å; Y612-L620 HydrophobicContact CD2-CB 3.69Å; Y612-L620 HydrophobicContact CD2-CD1 4.34Å; Y612-L620 HydrophobicContact CE2-CB 3.41Å; Y612-L620 VanDerWaalsContact CE2-CB 3.41Å; Y612-L620 HydrophobicContact CE2-CD1 4.34Å; Y612-L620 PolarHBondContact O-N 3.32Å; Y612-G621 VanDerWaalsContact CD1-O 3.28Å; Y612-G621 WeakPolarHBondContact CD1-O 3.39Å; Y612-G621 VanDerWaalsContact CE1-C 3.44Å; Y612-G621 PolarHBondContact N-O 3.2Å; Y612-T623 HydrophobicContact CD1-CG2 3.98Å
613K70.7Confident81.7Confident72 Ų7251.9 Ų51.931%0.31325%0.248SC..EExtended strand (participates in β ladder)trans-101.9150.6-175.1-56.4167.8-166.5157.30110.1E618K613-E618 CarbonylContact C-O 3.53Å; K613-E618 WeakPolarHBondContact CA-O 3.45Å
614S66.2Low81.2Confident11 Ų1154.6 Ų54.68%0.07726%0.258CS..PPolyproline II helixtrans-71.7168.1164.383.50000110.3R616 G617 E618S614-R616 PolarHBondContact O-N 2.89Å; S614-R616 WeakPolarHBondContact OG-CB 3.29Å; S614-R616 PolarHBondContact OG-N 2.87Å; S614-G617 PolarHBondContact O-N 2.88Å; S614-E618 PolarHBondContact N-O 2.89Å; S614-E618 PolarHBondContact OG-N 2.71Å; S614-E618 PolarHBondContact OG-OE2 2.71Å
615F62Low81Confident90 Ų9055.5 Ų55.540%0.39526%0.262SS..THydrogen-bonded Turntrans-58.2-9170.571.2-101.1000114.3T25 R28T25-F615 WeakPolarHBondContact O-CD1 3.4Å; R28-F615 HydrophobicContact CG-CD1 4.03Å; R28-F615 HydrophobicContact CG-CE1 4.41Å; R28-F615 HydrophobicContact CG-CG 4.26Å; R28-F615 VanDerWaalsContact NE-CD2 3.31Å; R28-F615 VanDerWaalsContact NH2-CD2 3.25Å
616R69.1Low80.8Confident178 Ų17857.1 Ų57.167%0.67227%0.269SS*.THydrogen-bonded Turntrans-94.80.1175.1-56.3-176175.1-127-1.5113S614 E618S614-R616 PolarHBondContact O-N 2.89Å; S614-R616 WeakPolarHBondContact OG-CB 3.29Å; S614-R616 PolarHBondContact OG-N 2.87Å; R616-E618 VanDerWaalsContact C-N 3.25Å; R616-E618 HydrophobicContact CB-CG 3.97Å; R616-E618 WeakPolarHBondContact CD-OE2 3.35Å; R616-E618 PolarHBondContact O-N 2.81Å
617G66.2Low80.8Confident48 Ų4857.1 Ų57.150%0.49527%0.269SS..SBendtrans78.13.8-170.600000114.3S614S614-G617 PolarHBondContact O-N 2.88Å
618E77.7Confident80.8Confident111 Ų11156.9 Ų56.952%0.51927%0.269SS..  trans-76.7125.3179.7-59.8161.6143.400109.8K613 S614 R616 L620K613-E618 CarbonylContact C-O 3.53Å; K613-E618 WeakPolarHBondContact CA-O 3.45Å; S614-E618 PolarHBondContact N-O 2.89Å; S614-E618 PolarHBondContact OG-N 2.71Å; S614-E618 PolarHBondContact OG-OE2 2.71Å; R616-E618 VanDerWaalsContact C-N 3.25Å; R616-E618 HydrophobicContact CB-CG 3.97Å; R616-E618 WeakPolarHBondContact CD-OE2 3.35Å; R616-E618 PolarHBondContact O-N 2.81Å; E618-L620 PolarHBondContact O-N 3.16Å; E618-L620 VanDerWaalsContact O-N 3.16Å
619T79.3Confident81Confident87 Ų8756.9 Ų56.953%0.53427%0.269SS..EExtended strand (participates in β ladder)trans-58.8118.2173.6-63.10000110.7Y611Y611-T619 HydrophobicContact CD1-CG2 3.58Å; Y611-T619 HydrophobicContact CE1-CG2 4.4Å; Y611-T619 HydrophobicContact CG-CG2 4.05Å
620L73.9Confident81.4Confident73 Ų7356.6 Ų56.638%0.38227%0.267SS..EExtended strand (participates in β ladder)trans-91-30.6175.6-68.1176.6000111.8M26 Y612 E618M26-L620 HydrophobicContact SD-CD1 3.69Å; Y612-L620 HydrophobicContact CD2-CB 3.69Å; Y612-L620 HydrophobicContact CD2-CD1 4.34Å; Y612-L620 HydrophobicContact CE2-CB 3.41Å; Y612-L620 VanDerWaalsContact CE2-CB 3.41Å; Y612-L620 HydrophobicContact CE2-CD1 4.34Å; Y612-L620 PolarHBondContact O-N 3.32Å; E618-L620 PolarHBondContact O-N 3.16Å; E618-L620 VanDerWaalsContact O-N 3.16Å
621G71.6Confident82.1Confident18 Ų1853.2 Ų53.219%0.18625%0.252CS..EExtended strand (participates in β ladder)trans-177177.5174.300000113.3Y611 Y612Y611-G621 WeakPolarHBondContact CA-O 3.25Å; Y612-G621 VanDerWaalsContact CD1-O 3.28Å; Y612-G621 WeakPolarHBondContact CD1-O 3.39Å; Y612-G621 VanDerWaalsContact CE1-C 3.44Å; Y612-G621 PolarHBondContact N-O 3.2Å
622Y79.6Confident82.9Confident107 Ų10748 Ų4842%0.4223%0.233SC..EExtended strand (participates in β ladder)trans-85.9147.1175.1-172-102.5000110.4Y555 K610 Y611 R624Y555-Y622 HydrophobicContact CE2-CE1 4.49Å; Y555-Y622 WeakPolarHBondContact OH-CD1 3.24Å; Y555-Y622 WeakPolarHBondContact OH-CE1 3.36Å; K610-Y622 HydrophobicContact CB-CE2 4.28Å; K610-Y622 WeakPolarHBondContact O-CD2 3.18Å; K610-Y622 WeakPolarHBondContact O-CE2 3.32Å; Y611-Y622 HydrophobicContact CD1-CD2 4.01Å; Y611-Y622 AromaticContact CE1-CD2 3.69Å; Y611-Y622 HydrophobicContact CE1-CD2 3.69Å; Y622-R624 HydrophobicContact CD1-CG 4.22Å
623T83.3Confident84.1Confident7 Ų745.8 Ų45.84%0.04323%0.226CC..  trans-103.5135.3169.993.90000109.6V609 K610 Y612 Y648V609-T623 HydrophobicContact CG2-CG2 4.26Å; V609-T623 WeakPolarHBondContact O-CB 3.24Å; V609-T623 WeakPolarHBondContact O-CG2 3.31Å; V609-T623 PolarHBondContact O-OG1 3.32Å; K610-T623 PolarHBondContact O-N 3.22Å; Y612-T623 HydrophobicContact CD1-CG2 3.98Å; T623-Y648 HydrophobicContact CG2-CE1 3.87Å
624R87.4Confident85.4Confident57 Ų5743.5 Ų43.522%0.21522%0.216CC..  trans-96.415.2-176.6-51.6-169.1-60.4176.23.9113W551 E552 Y555 Q590 Y622 H697W551-R624 HydrophobicContact CH2-CB 4.24Å; E552-R624 IonicContact OE1-CZ 2.72Å; E552-R624 IonicContact OE1-NH1 2.69Å; E552-R624 PolarHBondContact OE1-NH1 2.86Å; E552-R624 IonicContact OE1-NH2 2.72Å; E552-R624 PolarHBondContact OE1-NH2 2.83Å; E552-R624 IonicContact OE2-CZ 3.15Å; E552-R624 IonicContact OE2-NH1 3.16Å; E552-R624 PolarHBondContact OE2-NH1 3.15Å; E552-R624 IonicContact OE2-NH2 2.75Å; Y555-R624 HydrophobicContact CE1-CG 4.41Å; Y555-R624 HydrophobicContact CE2-CG 4.27Å; Y555-R624 VanDerWaalsContact CZ-CD 3.45Å; Q590-R624 HydrophobicContact CG-CB 4.24Å; Q590-R624 VanDerWaalsContact CG-O 3.32Å; Q590-R624 WeakPolarHBondContact CG-O 3.18Å; Y622-R624 HydrophobicContact CD1-CG 4.22Å; R624-H697 PolarHBondContact O-CE1 2.93Å
625F94.8Very high86.9Confident20 Ų2049.5 Ų49.59%0.08824%0.243CC..  trans-91.9-34.6-166.6-75.1-71.9000114.7Q590 I593 V606 G627 Y629 Y648 F653Q590-F625 HydrophobicContact CG-CD1 3.86Å; Q590-F625 HydrophobicContact CG-CE1 4.05Å; Q590-F625 VanDerWaalsContact NE2-CD1 3.27Å; Q590-F625 VanDerWaalsContact NE2-CE2 3.29Å; I593-F625 HydrophobicContact CD1-CD1 3.63Å; I593-F625 HydrophobicContact CD1-CE1 3.96Å; V606-F625 WeakPolarHBondContact CB-O 3.43Å; V606-F625 HydrophobicContact CG1-CB 4.29Å; V606-F625 WeakPolarHBondContact CG1-O 3.15Å; F625-G627 PolarHBondContact O-N 2.68Å; F625-Y629 WeakPolarHBondContact O-CE2 3.23Å; F625-Y629 PolarHBondContact O-OH 3.48Å; F625-Y648 HydrophobicContact CB-CD1 3.99Å; F625-Y648 HydrophobicContact CB-CE1 4.42Å; F625-Y648 HydrophobicContact CB-CG 4.06Å; F625-Y648 AromaticContact CD2-CD1 3.9Å; F625-Y648 HydrophobicContact CD2-CD1 3.9Å; F625-Y648 HydrophobicContact CD2-CD2 4.11Å; F625-Y648 AromaticContact CD2-CE1 3.48Å; F625-Y648 HydrophobicContact CD2-CE1 3.48Å; F625-Y648 VanDerWaalsContact CD2-CE1 3.48Å; F625-Y648 AromaticContact CD2-CE2 3.69Å; F625-Y648 HydrophobicContact CD2-CE2 3.69Å; F625-Y648 HydrophobicContact CD2-CG 4.2Å; F625-Y648 AromaticContact CD2-CZ 3.35Å; F625-Y648 HydrophobicContact CE2-CD2 4.5Å; F625-Y648 HydrophobicContact CE2-CE1 4.1Å; F625-Y648 AromaticContact CE2-CE2 3.73Å; F625-Y648 HydrophobicContact CE2-CE2 3.73Å; F625-Y648 AromaticContact CE2-CZ 3.49Å; F625-Y648 VanDerWaalsContact CE2-CZ 3.49Å; F625-Y648 WeakPolarHBondContact CE2-OH 3.46Å; F625-Y648 HydrophobicContact CG-CD1 4.26Å; F625-Y648 HydrophobicContact CG-CD2 4.3Å; F625-Y648 HydrophobicContact CG-CE1 4.29Å; F625-Y648 HydrophobicContact CG-CE2 4.31Å; F625-Y648 HydrophobicContact CG-CG 4.27Å; F625-Y648 HydrophobicContact CZ-CE2 4.38Å; F625-F653 HydrophobicContact CD1-CE1 4.34Å; F625-F653 AromaticContact CD1-CZ 3.67Å; F625-F653 HydrophobicContact CD1-CZ 3.67Å; F625-F653 HydrophobicContact CE1-CE2 4.31Å; F625-F653 AromaticContact CE1-CZ 3.66Å; F625-F653 HydrophobicContact CE1-CZ 3.66Å; F625-F653 HydrophobicContact CG-CZ 4.19Å; F625-F653 HydrophobicContact CZ-CZ 4.19Å
626Q96.4Very high88.6Confident33 Ų3349.4 Ų49.415%0.15424%0.243CC..  trans-58.7135.1-179.5-179.7178.9-47.800111V606 G608 L694 H697V606-Q626 VanDerWaalsContact O-CA 3.31Å; V606-Q626 WeakPolarHBondContact O-CA 3.4Å; G608-Q626 PolarHBondContact O-OE1 3.05Å; Q626-L694 HydrophobicContact CG-CD2 4Å; Q626-H697 PolarHBondContact O-NE2 3.45Å
627G97.8Very high89.9Confident0 Ų046.1 Ų46.10%025%0.248CC..EExtended strand (participates in β ladder)trans144.5-169.917800000114.2V606 F625 H695V606-G627 PolarHBondContact N-O 2.8Å; V606-G627 PolarHBondContact O-N 3.37Å; F625-G627 PolarHBondContact O-N 2.68Å; G627-H695 CarbonylContact C-O 3.59Å; G627-H695 WeakPolarHBondContact CA-O 3.47Å
628V98.8Very high91.4Very high0 Ų045.7 Ų45.70%023%0.232CC..EExtended strand (participates in β ladder)trans-110132179.4-170.30000109.7I605 L630 L686 L694 H695 I696 H697 L714 L718I605-V628 HydrophobicContact CG1-CG1 4.4Å; V628-L630 HydrophobicContact CG1-CD2 3.61Å; V628-L630 HydrophobicContact CG1-CG 4.12Å; V628-L686 HydrophobicContact CG2-CD2 3.99Å; V628-L694 HydrophobicContact CG2-CB 4.21Å; V628-H695 PolarHBondContact N-O 2.97Å; V628-I696 WeakPolarHBondContact O-CA 3.46Å; V628-H697 PolarHBondContact O-N 3.47Å; V628-L714 HydrophobicContact CB-CD2 4.12Å; V628-L714 HydrophobicContact CG1-CD2 3.88Å; V628-L714 HydrophobicContact CG2-CD2 4Å; V628-L718 HydrophobicContact CG1-CD1 4.33Å
629Y98.9Very high92.4Very high0 Ų041.3 Ų41.30%021%0.213CC..EExtended strand (participates in β ladder)trans-113.2110.5177.5-60.7-103.3000108Q590 I593 F594 P603 I604 V606 F625 H697 F698Q590-Y629 HydrophobicContact CB-CE1 4.16Å; Q590-Y629 WeakPolarHBondContact O-CE1 3.12Å; I593-Y629 HydrophobicContact CB-CD1 3.81Å; I593-Y629 HydrophobicContact CB-CE1 3.8Å; I593-Y629 HydrophobicContact CB-CG 4.18Å; I593-Y629 HydrophobicContact CD1-CE1 4.26Å; I593-Y629 HydrophobicContact CD1-CE2 4.37Å; I593-Y629 HydrophobicContact CG2-CD1 3.77Å; I593-Y629 HydrophobicContact CG2-CD2 3.71Å; I593-Y629 HydrophobicContact CG2-CE1 4.05Å; I593-Y629 HydrophobicContact CG2-CE2 4.02Å; I593-Y629 HydrophobicContact CG2-CG 3.59Å; F594-Y629 HydrophobicContact CB-CD1 4.25Å; P603-Y629 WeakPolarHBondContact CA-O 3.49Å; I604-Y629 PolarHBondContact N-O 2.78Å; I604-Y629 PolarHBondContact O-N 2.62Å; V606-Y629 HydrophobicContact CB-CE2 4.03Å; V606-Y629 HydrophobicContact CG2-CD2 3.91Å; V606-Y629 HydrophobicContact CG2-CE2 3.48Å; V606-Y629 VanDerWaalsContact CG2-CE2 3.48Å; F625-Y629 WeakPolarHBondContact O-CE2 3.23Å; F625-Y629 PolarHBondContact O-OH 3.48Å; Y629-H697 HydrophobicContact CD1-CB 3.74Å; Y629-H697 HydrophobicContact CE1-CB 3.74Å; Y629-H697 AromaticContact CE1-CD2 3.78Å; Y629-H697 AromaticContact CE1-CG 3.61Å; Y629-H697 AromaticContact CE2-CD2 3.54Å; Y629-H697 AromaticContact CE2-NE2 3.95Å; Y629-H697 HydrophobicContact CG-CB 4.33Å; Y629-H697 AromaticContact CZ-CD2 3.4Å; Y629-H697 VanDerWaalsContact CZ-CD2 3.4Å; Y629-H697 AromaticContact CZ-CG 3.7Å; Y629-H697 AromaticContact CZ-NE2 3.69Å; Y629-H697 PolarHBondContact OH-NE2 3.16Å; Y629-F698 HydrophobicContact CD1-CD2 4.49Å; Y629-F698 HydrophobicContact CD1-CE2 4.34Å; Y629-F698 HydrophobicContact CE1-CE2 4.16Å
630L98.8Very high93.3Very high0 Ų039.9 Ų39.90%020%0.198CC..  trans-100.5144.4-176.3-60-179.5000110.7F594 P603 V628 L632 I696 L713 W717 L718F594-L630 WeakPolarHBondContact CD2-O 3.45Å; F594-L630 WeakPolarHBondContact CE2-O 3.41Å; P603-L630 HydrophobicContact CB-CD2 3.89Å; P603-L630 HydrophobicContact CG-CD2 3.86Å; V628-L630 HydrophobicContact CG1-CD2 3.61Å; V628-L630 HydrophobicContact CG1-CG 4.12Å; L630-L632 HydrophobicContact CB-CD2 3.66Å; L630-L632 HydrophobicContact CB-CG 3.84Å; L630-L632 HydrophobicContact CD1-CD2 4.11Å; L630-L632 PolarHBondContact O-N 2.97Å; L630-I696 HydrophobicContact CD1-CG2 3.69Å; L630-I696 HydrophobicContact CG-CG2 4.02Å; L630-L713 HydrophobicContact CD1-CD2 4.48Å; L630-L713 HydrophobicContact CD1-CG 4.3Å; L630-W717 HydrophobicContact CD1-CB 4.08Å; L630-W717 HydrophobicContact CD1-CG 3.96Å; L630-W717 HydrophobicContact CD2-CB 3.82Å; L630-W717 HydrophobicContact CD2-CG 4.37Å; L630-W717 HydrophobicContact CG-CB 4.45Å; L630-L718 HydrophobicContact CD2-CD1 4.5Å
631P98.4Very high94.4Very high0 Ų039.5 Ų39.50%019%0.194CC..  trans-77.756.8176.929.8-32.6000113.2H598 L633 W634 C639 W717H598-P631 WeakPolarHBondContact NE2-CA 3.42Å; P631-L633 PolarHBondContact O-N 3.25Å; P631-L633 VanDerWaalsContact O-N 3.08Å; P631-W634 PolarHBondContact O-N 2.94Å; P631-C639 HydrophobicContact CG-CB 4.07Å; P631-C639 VanDerWaalsContact CG-SG 3.57Å; P631-W717 HydrophobicContact CG-CE3 4.03Å; P631-W717 HydrophobicContact CG-CZ3 3.81Å; P631-W717 WeakPolarHBondContact O-CH2 3.11Å; P631-W717 WeakPolarHBondContact O-CZ3 3.38Å
632L98.2Very high95.6Very high15 Ų1539.1 Ų39.18%0.07919%0.188CC..THydrogen-bonded Turntrans-61.1-16.5-167.9-61.2175.3000116.4F594 H598 L630 L699 W717F594-L632 HydrophobicContact CE2-CB 4.36Å; F594-L632 HydrophobicContact CE2-CD1 4.09Å; F594-L632 HydrophobicContact CE2-CG 4.23Å; F594-L632 HydrophobicContact CZ-CB 4.28Å; F594-L632 HydrophobicContact CZ-CD1 4.38Å; H598-L632 PolarHBondContact NE2-N 3.41Å; L630-L632 HydrophobicContact CB-CD2 3.66Å; L630-L632 HydrophobicContact CB-CG 3.84Å; L630-L632 HydrophobicContact CD1-CD2 4.11Å; L630-L632 PolarHBondContact O-N 2.97Å; L632-L699 HydrophobicContact CD1-CD2 3.93Å; L632-W717 HydrophobicContact CD2-CZ2 3.86Å
633L97.9Very high96.5Very high35 Ų3534 Ų3418%0.18317%0.168CC..THydrogen-bonded Turntrans-90.6-4.3177.9-54175.7000113F437 W543 F544 R547 H598 P631F437-L633 HydrophobicContact CE1-CB 3.9Å; F437-L633 HydrophobicContact CE2-CB 4.18Å; F437-L633 HydrophobicContact CE2-CD1 3.7Å; F437-L633 HydrophobicContact CZ-CB 3.66Å; F437-L633 HydrophobicContact CZ-CD1 3.77Å; F437-L633 HydrophobicContact CZ-CG 4.38Å; W543-L633 HydrophobicContact CB-CD1 3.94Å; W543-L633 HydrophobicContact CE3-CD2 4.47Å; F544-L633 HydrophobicContact CD1-CD1 3.78Å; F544-L633 HydrophobicContact CE1-CD1 3.56Å; F544-L633 HydrophobicContact CZ-CD1 4.14Å; R547-L633 HydrophobicContact CG-CD2 4.22Å; H598-L633 WeakPolarHBondContact NE2-CB 3.46Å; H598-L633 PolarHBondContact NE2-N 3.05Å; P631-L633 PolarHBondContact O-N 3.25Å; P631-L633 VanDerWaalsContact O-N 3.08Å
634W97.9Very high97.2Very high24 Ų2433.7 Ų33.79%0.09117%0.166CC..SBendtrans-93.1162.5168.8-71.5136.4000111.9R433 F437 C439 F441 H598 P631 F638 C639 W717R433-W634 HydrophobicContact CB-CH2 3.64Å; R433-W634 HydrophobicContact CB-CZ3 4.3Å; R433-W634 HydrophobicContact CG-CH2 3.64Å; R433-W634 HydrophobicContact CG-CZ3 3.78Å; F437-W634 HydrophobicContact CD1-CD2 4.42Å; F437-W634 AromaticContact CD1-CE3 3.93Å; F437-W634 HydrophobicContact CD1-CE3 3.93Å; F437-W634 AromaticContact CD1-CH2 3.57Å; F437-W634 HydrophobicContact CD1-CH2 3.57Å; F437-W634 HydrophobicContact CD1-CZ2 4.16Å; F437-W634 AromaticContact CD1-CZ3 3.48Å; F437-W634 HydrophobicContact CD1-CZ3 3.48Å; F437-W634 VanDerWaalsContact CD1-CZ3 3.48Å; F437-W634 AromaticContact CE1-CD2 3.98Å; F437-W634 HydrophobicContact CE1-CD2 3.98Å; F437-W634 AromaticContact CE1-CE2 3.89Å; F437-W634 AromaticContact CE1-CE3 3.96Å; F437-W634 HydrophobicContact CE1-CE3 3.96Å; F437-W634 AromaticContact CE1-CH2 3.68Å; F437-W634 HydrophobicContact CE1-CH2 3.68Å; F437-W634 AromaticContact CE1-CZ2 3.76Å; F437-W634 HydrophobicContact CE1-CZ2 3.76Å; F437-W634 AromaticContact CE1-CZ3 3.81Å; F437-W634 HydrophobicContact CE1-CZ3 3.81Å; C439-W634 HydrophobicContact CB-CH2 4.1Å; C439-W634 HydrophobicContact CB-CZ2 3.87Å; F441-W634 HydrophobicContact CB-CZ2 4.38Å; H598-W634 AromaticContact CD2-CD1 3.97Å; H598-W634 PolarHBondContact O-NE1 3.44Å; P631-W634 PolarHBondContact O-N 2.94Å; W634-F638 HydrophobicContact CB-CD1 4.22Å; W634-F638 AromaticContact CD2-CD1 3.61Å; W634-F638 HydrophobicContact CD2-CD1 3.61Å; W634-F638 AromaticContact CD2-CE1 3.79Å; W634-F638 HydrophobicContact CD2-CE1 3.79Å; W634-F638 AromaticContact CE2-CE1 3.8Å; W634-F638 AromaticContact CE3-CD1 3.82Å; W634-F638 HydrophobicContact CE3-CD1 3.82Å; W634-F638 AromaticContact CE3-CE1 3.95Å; W634-F638 HydrophobicContact CE3-CE1 3.95Å; W634-F638 AromaticContact CG-CD1 3.8Å; W634-F638 HydrophobicContact CG-CD1 3.8Å; W634-F638 HydrophobicContact CG-CE1 4.34Å; W634-F638 HydrophobicContact CH2-CE1 4.28Å; W634-F638 HydrophobicContact CZ2-CE1 4.06Å; W634-F638 HydrophobicContact CZ3-CD1 4.48Å; W634-F638 HydrophobicContact CZ3-CE1 4.2Å; W634-C639 VanDerWaalsContact CB-SG 3.56Å; W634-W717 WeakPolarHBondContact O-CH2 3.22Å
635E97.1Very high97.8Very high137 Ų13731 Ų3164%0.6416%0.156SC*.  trans-69.5136.5162.7-63.3176.9155.600109.1S637 F638E635-S637 PolarHBondContact O-N 3.43Å; E635-S637 VanDerWaalsContact O-N 3.12Å; E635-F638 WeakPolarHBondContact O-CB 3.09Å; E635-F638 PolarHBondContact O-N 2.85Å
636Q97.1Very high98Very high87 Ų8730 Ų3041%0.40715%0.152SC..G310 helixtrans-52.7-37.9-178.6-70.3177-0.400112.6F638 C639 E716 W717Q636-F638 PolarHBondContact O-N 2.98Å; Q636-C639 PolarHBondContact O-N 2.99Å; Q636-C639 VanDerWaalsContact O-N 3.14Å; Q636-E716 PolarHBondContact NE2-OE2 2.64Å; Q636-W717 HydrophobicContact CG-CD2 3.99Å; Q636-W717 HydrophobicContact CG-CE3 4.13Å; Q636-W717 HydrophobicContact CG-CH2 3.86Å; Q636-W717 HydrophobicContact CG-CZ2 3.68Å; Q636-W717 HydrophobicContact CG-CZ3 4.06Å
637S97.4Very high98Very high110 Ų11028.5 Ų28.577%0.76914%0.144SC*.G310 helixtrans-68.6-13.1177.5490000115.2E635E635-S637 PolarHBondContact O-N 3.43Å; E635-S637 VanDerWaalsContact O-N 3.12Å
638F97.6Very high97.9Very high39 Ų3929.6 Ų29.617%0.17115%0.149CC..G310 helixtrans-88.3-14.4173.1-172.9-121.4000112.3F441 R601 W634 E635 Q636F441-F638 HydrophobicContact CB-CE1 4.5Å; F441-F638 HydrophobicContact CD1-CZ 4.22Å; F441-F638 HydrophobicContact CD2-CE1 4.43Å; F441-F638 AromaticContact CD2-CZ 3.74Å; F441-F638 HydrophobicContact CD2-CZ 3.74Å; F441-F638 HydrophobicContact CE1-CZ 4.35Å; F441-F638 AromaticContact CE2-CZ 3.88Å; F441-F638 HydrophobicContact CE2-CZ 3.88Å; F441-F638 HydrophobicContact CG-CE1 4.24Å; F441-F638 AromaticContact CG-CZ 3.93Å; F441-F638 HydrophobicContact CG-CZ 3.93Å; F441-F638 HydrophobicContact CZ-CZ 4.18Å; R601-F638 VanDerWaalsContact CD-CE1 3.49Å; R601-F638 HydrophobicContact CG-CD1 4.15Å; R601-F638 HydrophobicContact CG-CE1 3.86Å; R601-F638 HydrophobicContact CG-CZ 4.48Å; R601-F638 VanDerWaalsContact CZ-O 3.27Å; R601-F638 PolarHBondContact NE-O 3.14Å; R601-F638 PolarHBondContact NH2-O 3.34Å; W634-F638 HydrophobicContact CB-CD1 4.22Å; W634-F638 AromaticContact CD2-CD1 3.61Å; W634-F638 HydrophobicContact CD2-CD1 3.61Å; W634-F638 AromaticContact CD2-CE1 3.79Å; W634-F638 HydrophobicContact CD2-CE1 3.79Å; W634-F638 AromaticContact CE2-CE1 3.8Å; W634-F638 AromaticContact CE3-CD1 3.82Å; W634-F638 HydrophobicContact CE3-CD1 3.82Å; W634-F638 AromaticContact CE3-CE1 3.95Å; W634-F638 HydrophobicContact CE3-CE1 3.95Å; W634-F638 AromaticContact CG-CD1 3.8Å; W634-F638 HydrophobicContact CG-CD1 3.8Å; W634-F638 HydrophobicContact CG-CE1 4.34Å; W634-F638 HydrophobicContact CH2-CE1 4.28Å; W634-F638 HydrophobicContact CZ2-CE1 4.06Å; W634-F638 HydrophobicContact CZ3-CD1 4.48Å; W634-F638 HydrophobicContact CZ3-CE1 4.2Å; E635-F638 WeakPolarHBondContact O-CB 3.09Å; E635-F638 PolarHBondContact O-N 2.85Å; Q636-F638 PolarHBondContact O-N 2.98Å
639C98.3Very high97.5Very high18 Ų1829.8 Ų29.812%0.12215%0.15CC..SBendtrans-104.3154.6-174.6-69.20000112.9R601 P631 W634 Q636 W717R601-C639 CarbonylContact O-C 3.47Å; R601-C639 WeakPolarHBondContact O-CA 3.43Å; R601-C639 VanDerWaalsContact O-CB 3.25Å; R601-C639 WeakPolarHBondContact O-CB 3.1Å; P631-C639 HydrophobicContact CG-CB 4.07Å; P631-C639 VanDerWaalsContact CG-SG 3.57Å; W634-C639 VanDerWaalsContact CB-SG 3.56Å; Q636-C639 PolarHBondContact O-N 2.99Å; Q636-C639 VanDerWaalsContact O-N 3.14Å; C639-W717 HydrophobicContact CB-CZ3 4.21Å
640W97.6Very high96.5Very high57 Ų5735.8 Ų35.822%0.21617%0.173CC..  trans-94.5140.7173-58.7-73.6000111T443 D444 L445 L600 R601 R602 P603T443-W640 VanDerWaalsContact O-CH2 3.27Å; T443-W640 WeakPolarHBondContact O-CH2 3.47Å; T443-W640 WeakPolarHBondContact O-CZ2 3.34Å; D444-W640 WeakPolarHBondContact O-CH2 3.5Å; L445-W640 HydrophobicContact CB-CD2 3.9Å; L445-W640 HydrophobicContact CB-CE3 4.31Å; L445-W640 HydrophobicContact CB-CG 4.23Å; L445-W640 HydrophobicContact CB-CH2 4.32Å; L445-W640 HydrophobicContact CB-CZ2 3.96Å; L445-W640 HydrophobicContact CB-CZ3 4.5Å; L445-W640 HydrophobicContact CD1-CB 3.9Å; L445-W640 HydrophobicContact CD1-CD2 3.92Å; L445-W640 HydrophobicContact CD1-CE3 3.97Å; L445-W640 HydrophobicContact CD1-CG 3.93Å; L445-W640 HydrophobicContact CD2-CB 4.04Å; L445-W640 HydrophobicContact CD2-CD2 4.41Å; L445-W640 HydrophobicContact CD2-CG 3.87Å; L445-W640 HydrophobicContact CG-CD2 4.29Å; L445-W640 HydrophobicContact CG-CG 4.23Å; L600-W640 VanDerWaalsContact O-CZ3 3.3Å; L600-W640 WeakPolarHBondContact O-CZ3 3.32Å; R601-W640 HydrophobicContact CB-CE3 3.74Å; R601-W640 HydrophobicContact CB-CZ3 3.74Å; R601-W640 VanDerWaalsContact NH1-CZ2 3.32Å; R601-W640 PolarHBondContact O-N 3.48Å; R602-W640 HydrophobicContact CB-CB 4.33Å; P603-W640 WeakPolarHBondContact CD-O 3.28Å
641K97.4Very high95.8Very high66 Ų6637.6 Ų37.629%0.28719%0.191SC..SBendtrans-83-21.1-176.6-74.5-166.6156.1-143.40115.5P643 R715 E716 L718 D719K641-P643 WeakPolarHBondContact O-CD 3.22Å; K641-R715 PolarHBondContact NZ-O 3.3Å; K641-R715 VanDerWaalsContact NZ-O 3.09Å; K641-E716 WeakPolarHBondContact CE-O 3.32Å; K641-E716 PolarHBondContact NZ-O 2.9Å; K641-L718 PolarHBondContact NZ-O 2.99Å; K641-D719 HydrophobicContact CD-CB 4.4Å; K641-D719 WeakPolarHBondContact CD-OD1 3.44Å; K641-D719 WeakPolarHBondContact CD-OD2 3.38Å; K641-D719 IonicContact NZ-OD1 3.42Å; K641-D719 PolarHBondContact NZ-OD1 3.27Å; K641-D719 VanDerWaalsContact NZ-OD1 3.15Å
642S97.1Very high95.3Very high10 Ų1038.8 Ų38.87%0.0720%0.197CC..  trans-70.4116.1175.8-178.80000109.1R602 Q732 K733R602-S642 VanDerWaalsContact CZ-O 3.29Å; R602-S642 PolarHBondContact NE-O 2.91Å; R602-S642 PolarHBondContact NH2-O 2.94Å; R602-S642 PolarHBondContact NH2-OG 3.27Å; S642-Q732 WeakPolarHBondContact OG-CA 3.33Å; S642-K733 PolarHBondContact OG-N 3.49Å; S642-K733 PolarHBondContact OG-O 2.91Å
643P98.4Very high95.2Very high0 Ų038.4 Ų38.40%019%0.194CC..  trans-79.5174-178.335-39.6000112.7R602 P603 I605 K641 L684 L718 A730 Q732R602-P643 PolarHBondContact NH2-O 3.18Å; P603-P643 HydrophobicContact CB-CB 4.17Å; P603-P643 VanDerWaalsContact O-CA 3.24Å; P603-P643 WeakPolarHBondContact O-CA 3.25Å; I605-P643 HydrophobicContact CD1-CB 3.86Å; I605-P643 HydrophobicContact CD1-CG 3.84Å; I605-P643 HydrophobicContact CG1-CB 4.07Å; K641-P643 WeakPolarHBondContact O-CD 3.22Å; P643-L684 HydrophobicContact CG-CD1 3.68Å; P643-L718 HydrophobicContact CB-CD2 3.81Å; P643-L718 HydrophobicContact CG-CD2 3.99Å; P643-A730 HydrophobicContact CG-CB 4.22Å; P643-Q732 HydrophobicContact CG-CB 4.35Å; P643-Q732 PolarHBondContact O-NE2 3.23Å
644I98.7Very high95.2Very high0 Ų036.8 Ų36.80%019%0.186CC..EExtended strand (participates in β ladder)trans-110.5155.4154.358.5166.1000111.1V515 A518 T519 L600 P603 I604 I605V515-I644 HydrophobicContact CG1-CD1 4.34Å; V515-I644 HydrophobicContact CG2-CD1 4.11Å; A518-I644 HydrophobicContact CB-CB 4.2Å; A518-I644 HydrophobicContact CB-CD1 4.35Å; A518-I644 HydrophobicContact CB-CG2 4.32Å; T519-I644 HydrophobicContact CG2-CD1 4.45Å; T519-I644 HydrophobicContact CG2-CG2 3.89Å; L600-I644 HydrophobicContact CD1-CD1 3.58Å; L600-I644 HydrophobicContact CD1-CG1 4.31Å; P603-I644 PolarHBondContact O-N 2.65Å; P603-I644 VanDerWaalsContact O-N 3.08Å; I604-I644 HydrophobicContact CB-CG1 4.35Å; I604-I644 HydrophobicContact CD1-CD1 4.37Å; I604-I644 HydrophobicContact CG1-CD1 4.12Å; I604-I644 HydrophobicContact CG1-CG1 3.89Å; I604-I644 HydrophobicContact CG2-CG1 4.22Å; I605-I644 PolarHBondContact N-O 2.64Å
645A98.8Very high95.2Very high0 Ų035.6 Ų35.60%018%0.181CC..EExtended strand (participates in β ladder)trans-113137.7177.700000111.7I605 Y607 L656 L684I605-A645 CarbonylContact O-C 3.52Å; I605-A645 WeakPolarHBondContact O-CA 3.3Å; Y607-A645 HydrophobicContact CD2-CB 4.39Å; Y607-A645 HydrophobicContact CE2-CB 4.05Å; A645-L656 HydrophobicContact CB-CB 3.93Å; A645-L656 PolarHBondContact O-N 2.89Å; A645-L684 HydrophobicContact CB-CD1 4.27Å; A645-L684 HydrophobicContact CB-CD2 4.13Å
646L98.8Very high95.3Very high0 Ų029.1 Ų29.10%015%0.151CC..EExtended strand (participates in β ladder)trans-128.5138.3177.8-58.4178.2000110.6L511 V515 I604 I605 V606 Y607 S654L511-L646 HydrophobicContact CD1-CD1 3.89Å; V515-L646 HydrophobicContact CG2-CD1 4.04Å; V515-L646 HydrophobicContact CG2-CD2 4.4Å; I604-L646 HydrophobicContact CG2-CD1 3.6Å; I604-L646 HydrophobicContact CG2-CG 3.98Å; I605-L646 PolarHBondContact O-N 3.45Å; V606-L646 WeakPolarHBondContact CA-O 3.45Å; V606-L646 HydrophobicContact CG2-CB 4.34Å; V606-L646 HydrophobicContact CG2-CD1 4.49Å; Y607-L646 PolarHBondContact N-O 3.35Å; L646-S654 WeakPolarHBondContact CA-O 3.48Å
647G97.9Very high95.3Very high0 Ų025.1 Ų25.10%013%0.132CC..EExtended strand (participates in β ladder)trans-90.3142.7170.300000110.8Y607 F653 S654Y607-G647 CarbonylContact O-C 3.53Å; Y607-G647 VanDerWaalsContact O-CA 3.29Å; Y607-G647 WeakPolarHBondContact O-CA 3.43Å; G647-F653 WeakPolarHBondContact O-CA 3.41Å; G647-S654 PolarHBondContact N-O 2.98Å; G647-S654 PolarHBondContact O-N 3.18Å
648Y95.8Very high95.2Very high23 Ų2319.9 Ų19.99%0.0910%0.096CC..EExtended strand (participates in β ladder)trans-132.7120.8173.3-179.9-94000113.4Y607 G608 V609 T623 F625 G651 H652 F653Y607-Y648 PolarHBondContact O-N 2.75Å; G608-Y648 WeakPolarHBondContact CA-O 3.27Å; V609-Y648 PolarHBondContact N-O 2.9Å; V609-Y648 VanDerWaalsContact N-O 3.11Å; T623-Y648 HydrophobicContact CG2-CE1 3.87Å; F625-Y648 HydrophobicContact CB-CD1 3.99Å; F625-Y648 HydrophobicContact CB-CE1 4.42Å; F625-Y648 HydrophobicContact CB-CG 4.06Å; F625-Y648 AromaticContact CD2-CD1 3.9Å; F625-Y648 HydrophobicContact CD2-CD1 3.9Å; F625-Y648 HydrophobicContact CD2-CD2 4.11Å; F625-Y648 AromaticContact CD2-CE1 3.48Å; F625-Y648 HydrophobicContact CD2-CE1 3.48Å; F625-Y648 VanDerWaalsContact CD2-CE1 3.48Å; F625-Y648 AromaticContact CD2-CE2 3.69Å; F625-Y648 HydrophobicContact CD2-CE2 3.69Å; F625-Y648 HydrophobicContact CD2-CG 4.2Å; F625-Y648 AromaticContact CD2-CZ 3.35Å; F625-Y648 HydrophobicContact CE2-CD2 4.5Å; F625-Y648 HydrophobicContact CE2-CE1 4.1Å; F625-Y648 AromaticContact CE2-CE2 3.73Å; F625-Y648 HydrophobicContact CE2-CE2 3.73Å; F625-Y648 AromaticContact CE2-CZ 3.49Å; F625-Y648 VanDerWaalsContact CE2-CZ 3.49Å; F625-Y648 WeakPolarHBondContact CE2-OH 3.46Å; F625-Y648 HydrophobicContact CG-CD1 4.26Å; F625-Y648 HydrophobicContact CG-CD2 4.3Å; F625-Y648 HydrophobicContact CG-CE1 4.29Å; F625-Y648 HydrophobicContact CG-CE2 4.31Å; F625-Y648 HydrophobicContact CG-CG 4.27Å; F625-Y648 HydrophobicContact CZ-CE2 4.38Å; Y648-G651 WeakPolarHBondContact OH-CA 3.42Å; Y648-H652 WeakPolarHBondContact CA-O 3.34Å; Y648-H652 WeakPolarHBondContact CD2-O 3.49Å; Y648-F653 AromaticContact CD2-CD1 3.88Å; Y648-F653 HydrophobicContact CD2-CD1 3.88Å; Y648-F653 AromaticContact CD2-CD2 4Å; Y648-F653 HydrophobicContact CD2-CD2 4Å; Y648-F653 AromaticContact CD2-CE1 3.57Å; Y648-F653 HydrophobicContact CD2-CE1 3.57Å; Y648-F653 AromaticContact CD2-CE2 3.7Å; Y648-F653 HydrophobicContact CD2-CE2 3.7Å; Y648-F653 HydrophobicContact CD2-CG 4.09Å; Y648-F653 AromaticContact CD2-CZ 3.48Å; Y648-F653 HydrophobicContact CD2-CZ 3.48Å; Y648-F653 VanDerWaalsContact CD2-CZ 3.48Å; Y648-F653 HydrophobicContact CE2-CD2 4.34Å; Y648-F653 HydrophobicContact CE2-CE1 4.46Å; Y648-F653 AromaticContact CE2-CE2 3.86Å; Y648-F653 HydrophobicContact CE2-CE2 3.86Å; Y648-F653 AromaticContact CE2-CZ 3.93Å; Y648-F653 HydrophobicContact CE2-CZ 3.93Å; Y648-F653 HydrophobicContact CG-CE1 4.16Å; Y648-F653 HydrophobicContact CG-CZ 4.38Å
649T90.4Very high95Very high4 Ų419 Ų193%0.0259%0.092CC..EExtended strand (participates in β ladder)trans-141.6135.2-176.446.30000110.5V474 E477 L478 G651 H652V474-T649 HydrophobicContact CG1-CG2 4.06Å; V474-T649 WeakPolarHBondContact CG2-OG1 3.46Å; E477-T649 HydrophobicContact CB-CG2 4.11Å; E477-T649 HydrophobicContact CG-CG2 4.06Å; E477-T649 VanDerWaalsContact OE2-CB 3.25Å; E477-T649 WeakPolarHBondContact OE2-CB 3.09Å; E477-T649 WeakPolarHBondContact OE2-CG2 3.31Å; L478-T649 HydrophobicContact CD1-CG2 4.21Å; L478-T649 HydrophobicContact CD2-CG2 3.56Å; L478-T649 HydrophobicContact CG-CG2 3.64Å; T649-G651 PolarHBondContact O-N 3.08Å; T649-H652 PolarHBondContact N-O 3.48Å; T649-H652 VanDerWaalsContact N-O 3.11Å; T649-H652 WeakPolarHBondContact O-CA 3.39Å; T649-H652 WeakPolarHBondContact O-CB 3.44Å; T649-H652 PolarHBondContact O-N 3.19Å
650R78.1Confident94.5Very high127 Ų12719 Ų1948%0.4799%0.09SC..THydrogen-bonded Turntrans52.213165.7-63.3171-1711718.7118.1E477 E481E477-R650 VanDerWaalsContact CD-CZ 3.44Å; E477-R650 IonicContact OE1-CZ 2.71Å; E477-R650 IonicContact OE1-NE 3.07Å; E477-R650 PolarHBondContact OE1-NE 3.06Å; E477-R650 IonicContact OE1-NH2 3.49Å; E477-R650 PolarHBondContact OE1-NH2 2.98Å; E477-R650 VanDerWaalsContact OE2-CD 3.31Å; E477-R650 WeakPolarHBondContact OE2-CD 3.45Å; E477-R650 WeakPolarHBondContact OE2-CG 3.41Å; E477-R650 IonicContact OE2-CZ 2.67Å; E477-R650 IonicContact OE2-NE 3.94Å; E477-R650 PolarHBondContact OE2-NE 2.59Å; E477-R650 IonicContact OE2-NH2 2.63Å; E481-R650 IonicContact OE1-NH2 3.63Å; E481-R650 PolarHBondContact OE1-NH2 3.41Å; E481-R650 IonicContact OE2-NH2 3.79Å; E481-R650 PolarHBondContact OE2-NH2 3.3Å
651G82.3Confident93.5Very high37 Ų3720 Ų2038%0.38110%0.1SC..THydrogen-bonded Turntrans106.19-173.600000114.9Y648 T649Y648-G651 WeakPolarHBondContact OH-CA 3.42Å; T649-G651 PolarHBondContact O-N 3.08Å
652H89.1Confident91.6Very high26 Ų2620.1 Ų20.112%0.1210%0.104CC..EExtended strand (participates in β ladder)trans-123.3150.1-173.3-162.2-103.6000111.3N504 Y648 T649N504-H652 PolarHBondContact OD1-CE1 2.86Å; N504-H652 PolarHBondContact OD1-NE2 2.9Å; Y648-H652 WeakPolarHBondContact CA-O 3.34Å; Y648-H652 WeakPolarHBondContact CD2-O 3.49Å; T649-H652 PolarHBondContact N-O 3.48Å; T649-H652 VanDerWaalsContact N-O 3.11Å; T649-H652 WeakPolarHBondContact O-CA 3.39Å; T649-H652 WeakPolarHBondContact O-CB 3.44Å; T649-H652 PolarHBondContact O-N 3.19Å
653F96Very high89.5Confident7 Ų722.4 Ų22.43%0.03113%0.129CC..EExtended strand (participates in β ladder)trans-114.5143.3171.1-72.3-86.7000110.8N504 C510 L511 S514 I593 V606 F625 G647 Y648N504-F653 PolarHBondContact ND2-O 3.04Å; C510-F653 PolarHBondContact SG-N 2.91Å; C510-F653 VanDerWaalsContact SG-N 3.43Å; L511-F653 HydrophobicContact CB-CD2 3.73Å; L511-F653 HydrophobicContact CB-CE2 4.13Å; L511-F653 HydrophobicContact CB-CG 4.16Å; L511-F653 HydrophobicContact CD1-CD1 3.97Å; L511-F653 HydrophobicContact CD1-CD2 4.18Å; L511-F653 HydrophobicContact CD1-CE1 4.06Å; L511-F653 HydrophobicContact CD1-CE2 4.26Å; L511-F653 HydrophobicContact CD1-CG 4.03Å; L511-F653 HydrophobicContact CD1-CZ 4.2Å; L511-F653 HydrophobicContact CG-CD2 4.47Å; S514-F653 PolarHBondContact OG-O 2.94Å; I593-F653 HydrophobicContact CD1-CE1 3.97Å; I593-F653 HydrophobicContact CD1-CZ 3.84Å; V606-F653 HydrophobicContact CG1-CE1 4.39Å; F625-F653 HydrophobicContact CD1-CE1 4.34Å; F625-F653 AromaticContact CD1-CZ 3.67Å; F625-F653 HydrophobicContact CD1-CZ 3.67Å; F625-F653 HydrophobicContact CE1-CE2 4.31Å; F625-F653 AromaticContact CE1-CZ 3.66Å; F625-F653 HydrophobicContact CE1-CZ 3.66Å; F625-F653 HydrophobicContact CG-CZ 4.19Å; F625-F653 HydrophobicContact CZ-CZ 4.19Å; G647-F653 WeakPolarHBondContact O-CA 3.41Å; Y648-F653 AromaticContact CD2-CD1 3.88Å; Y648-F653 HydrophobicContact CD2-CD1 3.88Å; Y648-F653 AromaticContact CD2-CD2 4Å; Y648-F653 HydrophobicContact CD2-CD2 4Å; Y648-F653 AromaticContact CD2-CE1 3.57Å; Y648-F653 HydrophobicContact CD2-CE1 3.57Å; Y648-F653 AromaticContact CD2-CE2 3.7Å; Y648-F653 HydrophobicContact CD2-CE2 3.7Å; Y648-F653 HydrophobicContact CD2-CG 4.09Å; Y648-F653 AromaticContact CD2-CZ 3.48Å; Y648-F653 HydrophobicContact CD2-CZ 3.48Å; Y648-F653 VanDerWaalsContact CD2-CZ 3.48Å; Y648-F653 HydrophobicContact CE2-CD2 4.34Å; Y648-F653 HydrophobicContact CE2-CE1 4.46Å; Y648-F653 AromaticContact CE2-CE2 3.86Å; Y648-F653 HydrophobicContact CE2-CE2 3.86Å; Y648-F653 AromaticContact CE2-CZ 3.93Å; Y648-F653 HydrophobicContact CE2-CZ 3.93Å; Y648-F653 HydrophobicContact CG-CE1 4.16Å; Y648-F653 HydrophobicContact CG-CZ 4.38Å
654S97.7Very high86.9Confident0 Ų030.7 Ų30.70%017%0.166CC..EExtended strand (participates in β ladder)trans-130.4147.7170.5-65.80000110.1L502 S514 L646 G647L502-S654 WeakPolarHBondContact O-CB 3.31Å; S514-S654 VanDerWaalsContact OG-C 3.28Å; S514-S654 WeakPolarHBondContact OG-CA 3.34Å; S514-S654 PolarHBondContact OG-N 2.83Å; L646-S654 WeakPolarHBondContact CA-O 3.48Å; G647-S654 PolarHBondContact N-O 2.98Å; G647-S654 PolarHBondContact O-N 3.18Å
655A98.6Very high84.2Confident0 Ų038.5 Ų38.50%021%0.207CC..EExtended strand (participates in β ladder)trans-67.9134167.900000109.6A501 L502 S514 Q517 A518 V657A501-A655 WeakPolarHBondContact CA-O 3.37Å; L502-A655 HydrophobicContact CB-CB 4.22Å; L502-A655 HydrophobicContact CD1-CB 4.15Å; L502-A655 HydrophobicContact CG-CB 4.29Å; L502-A655 PolarHBondContact N-O 2.88Å; S514-A655 WeakPolarHBondContact O-CB 3.39Å; S514-A655 PolarHBondContact OG-N 2.59Å; Q517-A655 HydrophobicContact CB-CB 3.68Å; A518-A655 HydrophobicContact CB-CB 3.99Å; A655-V657 HydrophobicContact CB-CG1 4.35Å
656L98.7Very high81.6Confident1 Ų142.8 Ų42.81%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-106.8112.8169.4-73.5172000108.3I485 L499 Y500 A501 Y607 A645I485-L656 HydrophobicContact CD1-CD2 3.81Å; I485-L656 HydrophobicContact CG2-CD1 3.73Å; I485-L656 HydrophobicContact CG2-CD2 4.43Å; L499-L656 HydrophobicContact CB-CB 4.36Å; L499-L656 HydrophobicContact CB-CD2 4.26Å; L499-L656 HydrophobicContact CD1-CB 4.45Å; Y500-L656 WeakPolarHBondContact O-CA 3.37Å; A501-L656 HydrophobicContact CB-CD2 4.03Å; Y607-L656 HydrophobicContact CD2-CD1 3.82Å; Y607-L656 HydrophobicContact CG-CD1 4.42Å; A645-L656 HydrophobicContact CB-CB 3.93Å; A645-L656 PolarHBondContact O-N 2.89Å
657V97.6Very high79Confident2 Ų253 Ų531%0.01227%0.269CS..EExtended strand (participates in β ladder)trans-123.7150.1-176.7-570000110.3F448 L450 Y500 L502 A655F448-V657 HydrophobicContact CD1-CB 4.5Å; F448-V657 HydrophobicContact CD1-CG1 4.17Å; F448-V657 HydrophobicContact CD1-CG2 4.41Å; F448-V657 WeakPolarHBondContact O-CG1 3.31Å; L450-V657 HydrophobicContact CD1-CG2 4.28Å; L450-V657 HydrophobicContact CG-CG2 4Å; Y500-V657 PolarHBondContact N-O 3.02Å; Y500-V657 PolarHBondContact O-N 3.05Å; Y500-V657 VanDerWaalsContact O-N 3.1Å; L502-V657 HydrophobicContact CD1-CG1 4.05Å; L502-V657 HydrophobicContact CD1-CG2 3.95Å; L502-V657 HydrophobicContact CD2-CG2 3.78Å; L502-V657 HydrophobicContact CG-CG1 4.46Å; L502-V657 HydrophobicContact CG-CG2 3.82Å; A655-V657 HydrophobicContact CB-CG1 4.35Å
658A95.5Very high76.2Confident0 Ų055.5 Ų55.50%029%0.294CS..PPolyproline II helixtrans-90170171.100000111.6T449 L450 R498 L499 T682T449-A658 WeakPolarHBondContact CA-O 3.3Å; L450-A658 PolarHBondContact N-O 2.75Å; R498-A658 WeakPolarHBondContact O-CA 3.48Å; L499-A658 HydrophobicContact CD2-CB 4.49Å; A658-T682 HydrophobicContact CB-CG2 3.62Å; A658-T682 VanDerWaalsContact CB-OG1 3.24Å; A658-T682 WeakPolarHBondContact CB-OG1 3.29Å
659M92Very high73.4Confident21 Ų2159.8 Ų59.810%0.10333%0.334CS..BIsolated β-bridgetrans-83.9150.8163.2-165159.1-76.200109.9L450 I454 E455 F466 Y500L450-M659 HydrophobicContact CB-CB 4.46Å; L450-M659 HydrophobicContact CB-CE 4.1Å; L450-M659 HydrophobicContact CB-CG 4.4Å; L450-M659 HydrophobicContact CD1-CE 4.45Å; L450-M659 CarbonylContact O-C 3.46Å; L450-M659 WeakPolarHBondContact O-CA 3.27Å; L450-M659 WeakPolarHBondContact O-CG 3.34Å; I454-M659 HydrophobicContact CB-CE 4.07Å; I454-M659 HydrophobicContact CD1-CE 3.99Å; I454-M659 HydrophobicContact CG2-CE 4.11Å; E455-M659 HydrophobicContact CG-SD 3.98Å; F466-M659 HydrophobicContact CE1-CE 4.15Å; F466-M659 HydrophobicContact CZ-CE 3.97Å; Y500-M659 HydrophobicContact CE2-CB 4.33Å
660E88.3Confident71.4Confident17 Ų1763.3 Ų63.38%0.07937%0.372CS..PPolyproline II helixtrans-71.6133.4167.9-63.4-173.1160.100109.7T449 L450 A452 R736 N739T449-E660 HydrophobicContact CG2-CG 4.42Å; T449-E660 WeakPolarHBondContact OG1-CG 3.32Å; T449-E660 PolarHBondContact OG1-OE1 3.09Å; L450-E660 PolarHBondContact O-N 3.09Å; A452-E660 WeakPolarHBondContact CB-O 3.34Å; E660-R736 IonicContact OE2-CZ 3.77Å; E660-R736 VanDerWaalsContact OE2-CZ 3.3Å; E660-R736 IonicContact OE2-NE 2.71Å; E660-R736 PolarHBondContact OE2-NE 3.39Å; E660-R736 IonicContact OE2-NH2 3.98Å; E660-R736 PolarHBondContact OE2-NH2 2.94Å; E660-N739 PolarHBondContact OE1-ND2 2.76Å; E660-N739 VanDerWaalsContact OE1-ND2 3.12Å
661N76.6Confident69.6Low79 Ų7962 Ų6242%0.42239%0.388SS..PPolyproline II helixtrans-83.3122.1171.5-115.721.4000110.4D496 G663D496-N661 VanDerWaalsContact CB-OD1 3.24Å; D496-N661 WeakPolarHBondContact CB-OD1 3.45Å; D496-N661 PolarHBondContact OD2-ND2 3.01Å; D496-N661 PolarHBondContact OD2-OD1 3.21Å; N661-G663 PolarHBondContact O-N 2.93Å
662D58.3Low67.5Low68 Ų6864.5 Ų64.536%0.36439%0.392SS..PPolyproline II helixtrans-72.2116160.8-98.523.8000108.8A452 F664 R736A452-D662 HydrophobicContact CB-CB 4.19Å; A452-D662 WeakPolarHBondContact CB-OD1 3.37Å; D662-F664 PolarHBondContact O-N 3.4Å; D662-R736 IonicContact OD1-CZ 3.89Å; D662-R736 IonicContact OD1-NH1 2.71Å; D662-R736 PolarHBondContact OD1-NH1 3.09Å; D662-R736 IonicContact OD1-NH2 2.69Å; D662-R736 PolarHBondContact OD1-NH2 3.03Å
663G52.4Low65.4Low58 Ų5871.1 Ų71.160%0.59843%0.428SS*.  trans-61.391.7-176.100000112.9N661 D665 N666N661-G663 PolarHBondContact O-N 2.93Å; G663-D665 PolarHBondContact O-N 3.34Å; G663-N666 PolarHBondContact O-N 2.72Å
664F42.7Very low62.8Low175 Ų17575.2 Ų75.277%0.76845%0.45SS*.G310 helixtrans-61.7-21.2-162.5-129.7-92.4000115.1D662 N666D662-F664 PolarHBondContact O-N 3.4Å; F664-N666 VanDerWaalsContact C-N 3.31Å; F664-N666 PolarHBondContact O-N 2.72Å
665D43.6Very low60.3Low163 Ų16380.3 Ų80.387%0.87248%0.482SS*.G310 helixtrans-71-19.9177.1-72.5-41.4000114G663G663-D665 PolarHBondContact O-N 3.34Å
666N43.8Very low57.9Low90 Ų9086.6 Ų86.648%0.48152%0.515SS..G310 helixtrans-100.725.1-167.9-87.9-40.9000115.7G663 F664 G668G663-N666 PolarHBondContact O-N 2.72Å; F664-N666 VanDerWaalsContact C-N 3.31Å; F664-N666 PolarHBondContact O-N 2.72Å; N666-G668 PolarHBondContact O-N 3.01Å
667R44.2Very low55.6Low216 Ų21690.1 Ų90.182%0.81553%0.534SS*.  trans-72.527.4158.2-70.5-168.5179.2-166.9-0.2112.9
668G37.9Very low53.9Low52 Ų5292.7 Ų92.754%0.53655%0.547SS..SBendtrans-92.4141.6173.100000112N666 G670N666-G668 PolarHBondContact O-N 3.01Å; G668-G670 PolarHBondContact O-N 2.85Å
669A38.2Very low52.9Low112 Ų11297 Ų9793%0.92657%0.568SS**  trans-73.386.5-171.100000114.1
670G47.9Very low52.4Low79 Ų7997 Ų9781%0.81457%0.569SS**SBendtrans66.152144.600000118.1G668G668-G670 PolarHBondContact O-N 2.85Å
671A41.3Very low52.6Low99 Ų9998.2 Ų98.282%0.81858%0.577SS**  trans-157.557.1165.500000113.7
672N37.1Very low53.5Low89 Ų8994.8 Ų94.848%0.47656%0.559SS.*  trans-120.4132.2169.1-147.3-6.7000110N674 D677N672-N674 PolarHBondContact OD1-ND2 3.26Å; N672-D677 PolarHBondContact ND2-OD2 2.92Å
673L45.3Very low55.4Low166 Ų16693.5 Ų93.587%0.86955%0.551SS**  trans-122.48.5-170.5-71175.9000113.1
674N41.7Very low57.6Low93 Ų9390.8 Ų90.850%0.49752%0.522SS..  trans-67.3139.1174.3-61.1-20.4000109.9N672 D677N672-N674 PolarHBondContact OD1-ND2 3.26Å; N674-D677 WeakPolarHBondContact CB-OD1 3.37Å; N674-D677 PolarHBondContact ND2-OD1 3.16Å
675T45.6Very low60.3Low107 Ų10783 Ų8366%0.65649%0.489SS*.SBendtrans-89.3-12.6-179.346.40000114
676D46.3Very low62.9Low132 Ų13275.2 Ų75.271%0.70645%0.448SS*.SBendtrans-92.2-15-175.9-61.8-5.9000112.5D678 E679D676-D678 PolarHBondContact O-N 2.78Å; D676-E679 PolarHBondContact O-N 3.06Å
677D50.6Low65.5Low75 Ų7571.6 Ų71.640%0.40143%0.429SS..THydrogen-bonded Turntrans-65.34.2-176.1-66.919.6000114.7N672 N674N672-D677 PolarHBondContact ND2-OD2 2.92Å; N674-D677 WeakPolarHBondContact CB-OD1 3.37Å; N674-D677 PolarHBondContact ND2-OD1 3.16Å
678D62.1Low68Low55 Ų5562 Ų6229%0.29439%0.393SS..THydrogen-bonded Turntrans-120.413-179.2-98.6-44.8000113.1D676 S735 R737D676-D678 PolarHBondContact O-N 2.78Å; D678-S735 WeakPolarHBondContact O-CA 3.46Å; D678-S735 VanDerWaalsContact O-CB 3.26Å; D678-S735 WeakPolarHBondContact O-CB 3.42Å; D678-S735 PolarHBondContact O-OG 3.37Å; D678-R737 HydrophobicContact CB-CG 4.43Å; D678-R737 IonicContact OD2-CZ 3.27Å; D678-R737 IonicContact OD2-NE 2.7Å; D678-R737 PolarHBondContact OD2-NE 3.33Å; D678-R737 IonicContact OD2-NH2 2.82Å; D678-R737 PolarHBondContact OD2-NH2 3.42Å
679E74.4Confident70.7Confident92 Ų9261.6 Ų61.643%0.4338%0.382SS..EExtended strand (participates in β ladder)trans-94.4114.9173.6-164.8-173.2-136.100111.5D676 V681 K733 S734D676-E679 PolarHBondContact O-N 3.06Å; E679-V681 HydrophobicContact CG-CG2 4.44Å; E679-K733 HydrophobicContact CG-CB 4.45Å; E679-K733 WeakPolarHBondContact OE1-CD 3.4Å; E679-K733 WeakPolarHBondContact OE1-CG 3.46Å; E679-K733 IonicContact OE1-NZ 3.21Å; E679-K733 PolarHBondContact OE1-NZ 2.91Å; E679-K733 IonicContact OE2-NZ 2.71Å; E679-K733 PolarHBondContact OE2-NZ 3.24Å; E679-S734 CarbonylContact C-O 3.55Å; E679-S734 WeakPolarHBondContact CA-O 3.37Å; E679-S734 WeakPolarHBondContact CG-O 3.22Å
680T82.9Confident73.5Confident20 Ų2063.2 Ų63.212%0.12337%0.371CS..EExtended strand (participates in β ladder)trans-87.7140.3170.850.70000110.3S734T680-S734 PolarHBondContact N-O 3.38Å; T680-S734 PolarHBondContact O-N 3.17Å; T680-S734 PolarHBondContact OG1-O 3.09Å; T680-S734 PolarHBondContact OG1-OG 3.34Å
681V92.1Very high75.7Confident43 Ų4364.7 Ų64.726%0.26135%0.352SS..EExtended strand (participates in β ladder)trans-131113.4-174.2-1740000110.6E679 F683 L731 K733E679-V681 HydrophobicContact CG-CG2 4.44Å; V681-F683 HydrophobicContact CB-CE2 4.39Å; V681-F683 HydrophobicContact CG1-CE1 4.34Å; V681-F683 HydrophobicContact CG1-CE2 4.15Å; V681-F683 HydrophobicContact CG1-CZ 4.02Å; V681-L731 HydrophobicContact CG1-CB 4.11Å; V681-L731 HydrophobicContact CG1-CD2 3.94Å; V681-L731 HydrophobicContact CG1-CG 4.42Å; V681-K733 HydrophobicContact CG2-CG 4.19Å
682T96Very high78.3Confident6 Ų666.5 Ų66.54%0.03734%0.341CS..EExtended strand (participates in β ladder)trans-94.7124.8173.1-56.50000110.3S497 L499 A658 L684 Q732S497-T682 WeakPolarHBondContact OG-CA 3.44Å; L499-T682 HydrophobicContact CD2-CG2 4.22Å; A658-T682 HydrophobicContact CB-CG2 3.62Å; A658-T682 VanDerWaalsContact CB-OG1 3.24Å; A658-T682 WeakPolarHBondContact CB-OG1 3.29Å; T682-L684 HydrophobicContact CG2-CD2 3.9Å; T682-L684 HydrophobicContact CG2-CG 4.18Å; T682-Q732 PolarHBondContact N-O 3.28Å; T682-Q732 PolarHBondContact O-N 3.49Å
683F98Very high81.2Confident42 Ų4263.1 Ų63.118%0.18432%0.323CS..EExtended strand (participates in β ladder)trans-92.898.4-178.7-62.3-91.4000110.8L491 L495 S497 V681 V729 L731L491-F683 HydrophobicContact CD2-CB 4.12Å; L495-F683 HydrophobicContact CB-CD2 3.77Å; L495-F683 HydrophobicContact CB-CE2 4.09Å; L495-F683 HydrophobicContact CD1-CD2 4.16Å; L495-F683 HydrophobicContact CD1-CE2 4.44Å; L495-F683 HydrophobicContact CD1-CG 4.24Å; L495-F683 HydrophobicContact CD2-CE2 4.4Å; L495-F683 HydrophobicContact CG-CD2 4.45Å; S497-F683 WeakPolarHBondContact OG-CD2 3.45Å; S497-F683 PolarHBondContact OG-N 3.46Å; V681-F683 HydrophobicContact CB-CE2 4.39Å; V681-F683 HydrophobicContact CG1-CE1 4.34Å; V681-F683 HydrophobicContact CG1-CE2 4.15Å; V681-F683 HydrophobicContact CG1-CZ 4.02Å; F683-V729 HydrophobicContact CB-CB 4.32Å; F683-V729 HydrophobicContact CB-CG1 4.38Å; F683-V729 HydrophobicContact CB-CG2 4.33Å; F683-V729 HydrophobicContact CD1-CG2 3.91Å; F683-L731 HydrophobicContact CD1-CD2 3.35Å; F683-L731 HydrophobicContact CE1-CD2 3.4Å; F683-L731 VanDerWaalsContact CE1-CD2 3.4Å; F683-L731 HydrophobicContact CG-CD2 4.32Å; F683-L731 HydrophobicContact CZ-CD2 4.39Å
684L98.6Very high83.6Confident0 Ų055.4 Ų55.40%028%0.283CS..EExtended strand (participates in β ladder)trans-93119.6-175.7-64.5172.7000110.9L499 I605 P643 A645 T682 L686 V729 A730 Q732L499-L684 HydrophobicContact CD1-CD2 3.81Å; L499-L684 HydrophobicContact CD2-CD2 3.64Å; L499-L684 HydrophobicContact CG-CD2 4.27Å; I605-L684 HydrophobicContact CD1-CB 4.24Å; I605-L684 HydrophobicContact CD1-CD1 4.35Å; P643-L684 HydrophobicContact CG-CD1 3.68Å; A645-L684 HydrophobicContact CB-CD1 4.27Å; A645-L684 HydrophobicContact CB-CD2 4.13Å; T682-L684 HydrophobicContact CG2-CD2 3.9Å; T682-L684 HydrophobicContact CG2-CG 4.18Å; L684-L686 PolarHBondContact O-N 2.89Å; L684-V729 CarbonylContact O-C 3.39Å; L684-V729 VanDerWaalsContact O-CA 3.24Å; L684-V729 WeakPolarHBondContact O-CA 3.47Å; L684-A730 PolarHBondContact N-O 2.87Å; L684-A730 PolarHBondContact O-N 2.92Å; L684-Q732 HydrophobicContact CD1-CB 3.7Å; L684-Q732 HydrophobicContact CG-CB 4.34Å
685P98.4Very high86.1Confident12 Ų1253.6 Ų53.68%0.07827%0.271CS..EExtended strand (participates in β ladder)trans-66.7129.5-175.225.8-32.3000112.6W487 L491 Y607 V687 I727W487-P685 HydrophobicContact CZ2-CB 4.1Å; W487-P685 HydrophobicContact CZ2-CG 4.39Å; L491-P685 HydrophobicContact CD1-CB 3.86Å; L491-P685 HydrophobicContact CD1-CG 3.94Å; Y607-P685 HydrophobicContact CE1-CG 3.99Å; Y607-P685 WeakPolarHBondContact CE1-O 3.49Å; Y607-P685 VanDerWaalsContact OH-CD 3.31Å; Y607-P685 WeakPolarHBondContact OH-CD 3.49Å; Y607-P685 PolarHBondContact OH-O 3.19Å; P685-V687 VanDerWaalsContact C-N 3.31Å; P685-I727 HydrophobicContact CB-CG2 4.34Å
686L98.7Very high88.5Confident0 Ų048.6 Ų48.60%024%0.241CC..SBendtrans-93.26.6172-65.3176000112.5I605 V628 L684 L694 L714 L718 C720 L728 A730I605-L686 HydrophobicContact CD1-CD2 3.9Å; V628-L686 HydrophobicContact CG2-CD2 3.99Å; L684-L686 PolarHBondContact O-N 2.89Å; L686-L694 WeakPolarHBondContact O-CB 3.43Å; L686-L694 WeakPolarHBondContact O-CG 3.43Å; L686-L694 PolarHBondContact O-N 2.82Å; L686-L714 HydrophobicContact CD1-CB 4.43Å; L686-L714 HydrophobicContact CD1-CD1 4.43Å; L686-L718 HydrophobicContact CD1-CD1 4.16Å; L686-L718 HydrophobicContact CD2-CD1 4.05Å; L686-C720 HydrophobicContact CD1-CB 4.38Å; L686-C720 VanDerWaalsContact CD1-SG 3.55Å; L686-L728 HydrophobicContact CB-CD2 3.97Å; L686-L728 HydrophobicContact CB-CG 4.05Å; L686-L728 HydrophobicContact CD1-CD2 4.27Å; L686-L728 HydrophobicContact CD1-CG 4.15Å; L686-L728 PolarHBondContact N-O 3.26Å; L686-A730 HydrophobicContact CD1-CB 4.04Å; L686-A730 HydrophobicContact CD2-CB 4.05Å; L686-A730 HydrophobicContact CG-CB 4.05Å
687V97.9Very high91Very high13 Ų1342.5 Ų42.58%0.07921%0.208CC..BIsolated β-bridgetrans-123.3156171.8-64.80000109.9P685 K692 I727 L728P685-V687 VanDerWaalsContact C-N 3.31Å; V687-K692 CarbonylContact C-O 3.43Å; V687-K692 WeakPolarHBondContact CA-O 3.34Å; V687-K692 WeakPolarHBondContact CB-O 3.39Å; V687-I727 HydrophobicContact CG2-CG2 3.71Å; V687-L728 HydrophobicContact CG1-CB 4.31Å
688D96.1Very high93.2Very high14 Ų1439 Ų398%0.07519%0.189CC..  trans-81.8-179.816770.717000112.6K610 E690 R691 K692 L694K610-D688 WeakPolarHBondContact CE-OD2 3.39Å; K610-D688 IonicContact NZ-OD2 3.19Å; K610-D688 PolarHBondContact NZ-OD2 3.11Å; D688-E690 PolarHBondContact O-N 3.31Å; D688-E690 VanDerWaalsContact O-N 3.15Å; D688-E690 WeakPolarHBondContact OD1-CA 3.5Å; D688-E690 WeakPolarHBondContact OD1-CB 3.19Å; D688-E690 PolarHBondContact OD1-N 3.1Å; D688-R691 WeakPolarHBondContact O-CA 3.26Å; D688-R691 PolarHBondContact O-N 2.79Å; D688-K692 PolarHBondContact N-O 3.42Å; D688-K692 PolarHBondContact OD1-N 3.41Å; D688-L694 HydrophobicContact CB-CD2 4.42Å
689S95.8Very high94.8Very high44 Ų4436.5 Ų36.531%0.30818%0.176SC..THydrogen-bonded Turntrans-62-17179.744.40000114.2P483 R691P483-S689 WeakPolarHBondContact O-CB 3.34Å; P483-S689 PolarHBondContact O-OG 3.41Å; S689-R691 VanDerWaalsContact C-N 3.27Å
690E95.9Very high95.7Very high147 Ų14732.8 Ų32.869%0.68716%0.16SC*.THydrogen-bonded Turntrans-89.68.2174.8-56.8175.6146.500111.8K610 D688 K692K610-E690 IonicContact NZ-OE2 2.74Å; D688-E690 PolarHBondContact O-N 3.31Å; D688-E690 VanDerWaalsContact O-N 3.15Å; D688-E690 WeakPolarHBondContact OD1-CA 3.5Å; D688-E690 WeakPolarHBondContact OD1-CB 3.19Å; D688-E690 PolarHBondContact OD1-N 3.1Å; E690-K692 PolarHBondContact O-N 3.38Å
691R95.1Very high95.9Very high110 Ų11035.6 Ų35.642%0.41519%0.185SC..SBendtrans64.611.5-172.1-61.6-64.9-158.2-120.710.2114.8W487 D688 S689 G725 I727W487-R691 VanDerWaalsContact CZ3-NH1 3.26Å; D688-R691 WeakPolarHBondContact O-CA 3.26Å; D688-R691 PolarHBondContact O-N 2.79Å; S689-R691 VanDerWaalsContact C-N 3.27Å; R691-G725 PolarHBondContact NH2-O 3.08Å; R691-I727 VanDerWaalsContact NH2-CG1 3.34Å
692K95.6Very high95.8Very high137 Ų13742.5 Ų42.560%0.59621%0.214SC*.PPolyproline II helixtrans-78.4134.1179.2-176.1179.8176179.40111V687 D688 E690 L694V687-K692 CarbonylContact C-O 3.43Å; V687-K692 WeakPolarHBondContact CA-O 3.34Å; V687-K692 WeakPolarHBondContact CB-O 3.39Å; D688-K692 PolarHBondContact N-O 3.42Å; D688-K692 PolarHBondContact OD1-N 3.41Å; E690-K692 PolarHBondContact O-N 3.38Å; K692-L694 PolarHBondContact O-N 2.96Å
693L97.1Very high95.5Very high18 Ų1844.9 Ų44.99%0.09423%0.225CC..BIsolated β-bridgetrans-54.8135.7175.1-165.471.3000112.3E707 Q710 L714 L728L693-E707 HydrophobicContact CB-CG 3.96Å; L693-E707 WeakPolarHBondContact CB-OE1 3.01Å; L693-E707 HydrophobicContact CD2-CG 3.87Å; L693-Q710 HydrophobicContact CD2-CB 3.7Å; L693-L714 HydrophobicContact CD1-CD1 3.88Å; L693-L714 HydrophobicContact CD2-CD1 4.32Å; L693-L714 HydrophobicContact CG-CD1 4.33Å; L693-L728 HydrophobicContact CD1-CD2 3.54Å
694L96.9Very high95Very high4 Ų445.6 Ų45.62%0.02123%0.229CC..PPolyproline II helixtrans-68135.9174.4-69-177.1000111I605 Y607 Q626 V628 L686 D688 K692 I696I605-L694 HydrophobicContact CG2-CD1 4.18Å; Y607-L694 HydrophobicContact CD1-CD1 4.46Å; Y607-L694 HydrophobicContact CE1-CD1 3.89Å; Q626-L694 HydrophobicContact CG-CD2 4Å; V628-L694 HydrophobicContact CG2-CB 4.21Å; L686-L694 WeakPolarHBondContact O-CB 3.43Å; L686-L694 WeakPolarHBondContact O-CG 3.43Å; L686-L694 PolarHBondContact O-N 2.82Å; D688-L694 HydrophobicContact CB-CD2 4.42Å; K692-L694 PolarHBondContact O-N 2.96Å; L694-I696 PolarHBondContact O-N 3.18Å
695H93.8Very high94.5Very high55 Ų5547 Ų4726%0.25524%0.244SC..PPolyproline II helixtrans-61.6130.6179169.3-86.9000111.8W551 W554 G627 V628 H697W551-H695 AromaticContact NE1-CE1 3.32Å; W551-H695 PolarHBondContact NE1-CE1 2.72Å; W551-H695 VanDerWaalsContact NE1-CE1 3.32Å; W551-H695 AromaticContact NE1-NE2 3.57Å; W554-H695 AromaticContact CH2-CD2 3.83Å; W554-H695 AromaticContact CH2-NE2 3.81Å; W554-H695 AromaticContact CZ3-CD2 3.84Å; W554-H695 AromaticContact CZ3-NE2 3.34Å; W554-H695 VanDerWaalsContact CZ3-NE2 3.34Å; W554-H695 WeakPolarHBondContact CZ3-NE2 3.41Å; G627-H695 CarbonylContact C-O 3.59Å; G627-H695 WeakPolarHBondContact CA-O 3.47Å; V628-H695 PolarHBondContact N-O 2.97Å; H695-H697 AromaticContact CE1-CE1 3.51Å; H695-H697 AromaticContact CE1-CG 3.6Å; H695-H697 AromaticContact CE1-ND1 3.22Å; H695-H697 PolarHBondContact CE1-ND1 2.92Å; H695-H697 AromaticContact CE1-NE2 3.97Å; H695-H697 AromaticContact ND1-CD2 3.44Å; H695-H697 PolarHBondContact ND1-CD2 2.89Å; H695-H697 AromaticContact ND1-CE1 3.2Å; H695-H697 PolarHBondContact ND1-CE1 3.36Å; H695-H697 AromaticContact ND1-CG 3.48Å; H695-H697 AromaticContact ND1-ND1 3.32Å; H695-H697 PolarHBondContact ND1-ND1 3.49Å; H695-H697 AromaticContact ND1-NE2 3.25Å; H695-H697 PolarHBondContact ND1-NE2 2.87Å
696I97.2Very high94.2Very high2 Ų250.2 Ų50.21%0.0126%0.261CS..BIsolated β-bridgetrans-91.6121174.4-45175.7000108.6V628 L630 L694 L699 Q710 L713 L714V628-I696 WeakPolarHBondContact O-CA 3.46Å; L630-I696 HydrophobicContact CD1-CG2 3.69Å; L630-I696 HydrophobicContact CG-CG2 4.02Å; L694-I696 PolarHBondContact O-N 3.18Å; I696-L699 HydrophobicContact CB-CD1 4.08Å; I696-L699 HydrophobicContact CB-CD2 4.28Å; I696-L699 HydrophobicContact CB-CG 4.14Å; I696-L699 HydrophobicContact CG2-CD2 3.79Å; I696-L699 HydrophobicContact CG2-CG 4.15Å; I696-Q710 HydrophobicContact CD1-CB 3.93Å; I696-Q710 HydrophobicContact CD1-CG 4.3Å; I696-L713 HydrophobicContact CD1-CD2 4.25Å; I696-L714 HydrophobicContact CD1-CD1 4.09Å; I696-L714 HydrophobicContact CD1-CD2 4Å; I696-L714 HydrophobicContact CD1-CG 3.71Å; I696-L714 HydrophobicContact CG1-CD1 4.4Å; I696-L714 HydrophobicContact CG1-CD2 4.15Å; I696-L714 HydrophobicContact CG1-CG 4.28Å
697H97.1Very high93.8Very high3 Ų355.6 Ų55.61%0.01429%0.286CS..THydrogen-bonded Turntrans-81.8148.1-174.6-70.9-85.9000113.1W551 R624 Q626 V628 Y629 H695 L699W551-H697 AromaticContact CE2-ND1 3.9Å; W551-H697 AromaticContact CZ2-ND1 3.63Å; W551-H697 AromaticContact NE1-ND1 3.95Å; R624-H697 PolarHBondContact O-CE1 2.93Å; Q626-H697 PolarHBondContact O-NE2 3.45Å; V628-H697 PolarHBondContact O-N 3.47Å; Y629-H697 HydrophobicContact CD1-CB 3.74Å; Y629-H697 HydrophobicContact CE1-CB 3.74Å; Y629-H697 AromaticContact CE1-CD2 3.78Å; Y629-H697 AromaticContact CE1-CG 3.61Å; Y629-H697 AromaticContact CE2-CD2 3.54Å; Y629-H697 AromaticContact CE2-NE2 3.95Å; Y629-H697 HydrophobicContact CG-CB 4.33Å; Y629-H697 AromaticContact CZ-CD2 3.4Å; Y629-H697 VanDerWaalsContact CZ-CD2 3.4Å; Y629-H697 AromaticContact CZ-CG 3.7Å; Y629-H697 AromaticContact CZ-NE2 3.69Å; Y629-H697 PolarHBondContact OH-NE2 3.16Å; H695-H697 AromaticContact CE1-CE1 3.51Å; H695-H697 AromaticContact CE1-CG 3.6Å; H695-H697 AromaticContact CE1-ND1 3.22Å; H695-H697 PolarHBondContact CE1-ND1 2.92Å; H695-H697 AromaticContact CE1-NE2 3.97Å; H695-H697 AromaticContact ND1-CD2 3.44Å; H695-H697 PolarHBondContact ND1-CD2 2.89Å; H695-H697 AromaticContact ND1-CE1 3.2Å; H695-H697 PolarHBondContact ND1-CE1 3.36Å; H695-H697 AromaticContact ND1-CG 3.48Å; H695-H697 AromaticContact ND1-ND1 3.32Å; H695-H697 PolarHBondContact ND1-ND1 3.49Å; H695-H697 AromaticContact ND1-NE2 3.25Å; H695-H697 PolarHBondContact ND1-NE2 2.87Å; H697-L699 VanDerWaalsContact C-N 3.28Å; H697-L699 PolarHBondContact O-N 3.46Å
698F97.3Very high93.6Very high1 Ų161.9 Ų61.90%0.00432%0.315CS..THydrogen-bonded Turntrans59.127.7174-55.9-74000116.5R547 W548 W551 Q590 F594 Y629R547-F698 HydrophobicContact CB-CB 4.33Å; R547-F698 PolarHBondContact NH1-O 2.92Å; W548-F698 HydrophobicContact CB-CE1 4.21Å; W551-F698 HydrophobicContact CB-CD1 3.67Å; W551-F698 HydrophobicContact CB-CE1 4.06Å; W551-F698 HydrophobicContact CD2-CD1 4.17Å; W551-F698 AromaticContact CD2-CE1 3.83Å; W551-F698 HydrophobicContact CD2-CE1 3.83Å; W551-F698 HydrophobicContact CD2-CZ 4.28Å; W551-F698 HydrophobicContact CE3-CD1 4.38Å; W551-F698 AromaticContact CE3-CE1 3.62Å; W551-F698 HydrophobicContact CE3-CE1 3.62Å; W551-F698 HydrophobicContact CE3-CZ 4.02Å; W551-F698 AromaticContact CG-CD1 3.86Å; W551-F698 HydrophobicContact CG-CD1 3.86Å; W551-F698 HydrophobicContact CG-CE1 4.02Å; W551-F698 HydrophobicContact CZ3-CE1 4.38Å; W551-F698 HydrophobicContact CZ3-CZ 4.37Å; Q590-F698 HydrophobicContact CB-CE2 4.07Å; Q590-F698 HydrophobicContact CB-CZ 3.91Å; F594-F698 HydrophobicContact CB-CD2 3.45Å; F594-F698 VanDerWaalsContact CB-CD2 3.45Å; F594-F698 HydrophobicContact CB-CE2 3.65Å; F594-F698 HydrophobicContact CB-CG 4.33Å; F594-F698 HydrophobicContact CD1-CB 4.13Å; F594-F698 HydrophobicContact CD1-CD2 4.01Å; F594-F698 HydrophobicContact CD1-CG 4.05Å; F594-F698 HydrophobicContact CD2-CB 3.85Å; F594-F698 AromaticContact CD2-CD2 3.66Å; F594-F698 HydrophobicContact CD2-CD2 3.66Å; F594-F698 HydrophobicContact CD2-CG 4.1Å; F594-F698 HydrophobicContact CE1-CB 3.93Å; F594-F698 HydrophobicContact CE1-CG 4.32Å; F594-F698 HydrophobicContact CE2-CB 3.63Å; F594-F698 HydrophobicContact CE2-CD2 4.34Å; F594-F698 HydrophobicContact CE2-CG 4.36Å; F594-F698 HydrophobicContact CG-CB 4.09Å; F594-F698 AromaticContact CG-CD2 3.46Å; F594-F698 HydrophobicContact CG-CD2 3.46Å; F594-F698 VanDerWaalsContact CG-CD2 3.46Å; F594-F698 HydrophobicContact CG-CE2 4.17Å; F594-F698 AromaticContact CG-CG 3.93Å; F594-F698 HydrophobicContact CG-CG 3.93Å; F594-F698 HydrophobicContact CZ-CB 3.67Å; F594-F698 HydrophobicContact CZ-CG 4.46Å; Y629-F698 HydrophobicContact CD1-CD2 4.49Å; Y629-F698 HydrophobicContact CD1-CE2 4.34Å; Y629-F698 HydrophobicContact CE1-CE2 4.16Å
699L95.7Very high93.5Very high4 Ų466.5 Ų66.52%0.02134%0.336CS..  trans-61136163.4-60.5-172.6000110.8L632 I696 H697 E703 M704 L713L632-L699 HydrophobicContact CD1-CD2 3.93Å; I696-L699 HydrophobicContact CB-CD1 4.08Å; I696-L699 HydrophobicContact CB-CD2 4.28Å; I696-L699 HydrophobicContact CB-CG 4.14Å; I696-L699 HydrophobicContact CG2-CD2 3.79Å; I696-L699 HydrophobicContact CG2-CG 4.15Å; H697-L699 VanDerWaalsContact C-N 3.28Å; H697-L699 PolarHBondContact O-N 3.46Å; L699-E703 HydrophobicContact CB-CB 4.29Å; L699-E703 HydrophobicContact CD2-CB 4.01Å; L699-M704 HydrophobicContact CB-CE 4.45Å; L699-L713 HydrophobicContact CD1-CD2 4.44Å; L699-L713 HydrophobicContact CD2-CD2 3.46Å; L699-L713 VanDerWaalsContact CD2-CD2 3.46Å
700S93.1Very high93.5Very high14 Ų1466.1 Ų66.110%0.09833%0.329CS..  trans-73.3166.6166.666.60000111E550 Q702 E703 M704E550-S700 VanDerWaalsContact OE2-CA 3.22Å; E550-S700 WeakPolarHBondContact OE2-CA 3.49Å; E550-S700 WeakPolarHBondContact OE2-CB 3.47Å; S700-Q702 PolarHBondContact O-N 3.5Å; S700-Q702 PolarHBondContact OG-N 2.94Å; S700-E703 VanDerWaalsContact CB-OE2 3.27Å; S700-E703 WeakPolarHBondContact CB-OE2 3.18Å; S700-E703 PolarHBondContact N-OE2 3.49Å; S700-E703 PolarHBondContact O-N 2.99Å; S700-E703 VanDerWaalsContact O-N 3.16Å; S700-E703 VanDerWaalsContact OG-CD 3.32Å; S700-E703 PolarHBondContact OG-N 2.8Å; S700-E703 PolarHBondContact OG-OE2 3.35Å; S700-M704 PolarHBondContact O-N 2.83Å
701A88.4Confident93.5Very high78 Ų7862.2 Ų62.265%0.64531%0.311SS*.THydrogen-bonded Turntrans-58.9-11.8174.100000114.8E550E550-A701 PolarHBondContact OE2-N 2.69Å
702Q88.3Confident93.5Very high189 Ų18963.1 Ų63.188%0.88332%0.317SS*.THydrogen-bonded Turntrans-97.3-27.1178.5-59.8-178.935.700113.6S700S700-Q702 PolarHBondContact O-N 3.5Å; S700-Q702 PolarHBondContact OG-N 2.94Å
703E91.7Very high93.6Very high56 Ų5657.6 Ų57.626%0.26230%0.295SS..THydrogen-bonded Turntrans-89.6-15.8173.9-59.7142.2144.300111.5R547 L699 S700 L713R547-E703 IonicContact CZ-OE1 3.37Å; R547-E703 IonicContact CZ-OE2 2.69Å; R547-E703 IonicContact NH1-OE1 2.8Å; R547-E703 PolarHBondContact NH1-OE1 2.89Å; R547-E703 IonicContact NH1-OE2 3.74Å; R547-E703 PolarHBondContact NH1-OE2 3.42Å; R547-E703 IonicContact NH2-OE1 3.62Å; R547-E703 PolarHBondContact NH2-OE1 3.27Å; R547-E703 IonicContact NH2-OE2 2.65Å; R547-E703 PolarHBondContact NH2-OE2 3.05Å; L699-E703 HydrophobicContact CB-CB 4.29Å; L699-E703 HydrophobicContact CD2-CB 4.01Å; S700-E703 VanDerWaalsContact CB-OE2 3.27Å; S700-E703 WeakPolarHBondContact CB-OE2 3.18Å; S700-E703 PolarHBondContact N-OE2 3.49Å; S700-E703 PolarHBondContact O-N 2.99Å; S700-E703 VanDerWaalsContact O-N 3.16Å; S700-E703 VanDerWaalsContact OG-CD 3.32Å; S700-E703 PolarHBondContact OG-N 2.8Å; S700-E703 PolarHBondContact OG-OE2 3.35Å; E703-L713 HydrophobicContact CB-CD2 4.44Å
704M87.3Confident93.7Very high56 Ų5656.8 Ų56.828%0.27629%0.29SS..  trans-57.8132.6169.4-152.677.166.700110.7W554 L699 S700W554-M704 HydrophobicContact CB-CE 4.06Å; W554-M704 VanDerWaalsContact CD1-CE 3.47Å; W554-M704 HydrophobicContact CD2-CE 3.95Å; W554-M704 HydrophobicContact CD2-SD 4.15Å; W554-M704 HydrophobicContact CG-CE 3.54Å; W554-M704 HydrophobicContact CG-SD 4.22Å; W554-M704 HydrophobicContact CZ2-SD 4.26Å; L699-M704 HydrophobicContact CB-CE 4.45Å; S700-M704 PolarHBondContact O-N 2.83Å
705G87.3Confident93.7Very high30 Ų3060.7 Ų60.731%0.30931%0.305SS..  trans-161.6-170.7-174.600000113.9
706N91.3Very high93.9Very high79 Ų7961.3 Ų61.342%0.42231%0.308SS..  trans-72.9172.4167.174.6-11.4000111.1E708 Q709 Q710N706-E708 VanDerWaalsContact C-N 3.25Å; N706-E708 PolarHBondContact O-N 3.4Å; N706-Q709 PolarHBondContact O-N 2.87Å; N706-Q709 VanDerWaalsContact O-N 3.11Å; N706-Q709 VanDerWaalsContact OD1-CB 3.31Å; N706-Q709 WeakPolarHBondContact OD1-CB 3.5Å; N706-Q709 WeakPolarHBondContact OD1-CG 3.42Å; N706-Q709 PolarHBondContact OD1-N 3.32Å; N706-Q709 PolarHBondContact OD1-OE1 3.24Å; N706-Q710 PolarHBondContact O-N 2.61Å
707E91.2Very high93.9Very high113 Ų11362 Ų6253%0.52831%0.31SS..Hα-helixtrans-60.6-33.8-177.2-160.5164.5173.200112.6L693 Q710 E711L693-E707 HydrophobicContact CB-CG 3.96Å; L693-E707 WeakPolarHBondContact CB-OE1 3.01Å; L693-E707 HydrophobicContact CD2-CG 3.87Å; E707-Q710 PolarHBondContact O-N 3.42Å; E707-E711 WeakPolarHBondContact O-CB 3.15Å; E707-E711 PolarHBondContact O-N 3.47Å
708E93.4Very high94Very high146 Ų14661.9 Ų61.968%0.68231%0.31SS*.Hα-helixtrans-65-42173.6-178.5-174.4-166.900112.8N706 E711 K712N706-E708 VanDerWaalsContact C-N 3.25Å; N706-E708 PolarHBondContact O-N 3.4Å; E708-E711 PolarHBondContact O-N 2.76Å; E708-K712 WeakPolarHBondContact O-CB 3.48Å; E708-K712 PolarHBondContact O-N 2.81Å
709Q94.2Very high94Very high111 Ų11164.9 Ų64.952%0.51933%0.326SS..Hα-helixtrans-67.3-37.5174.6-74.7166.6-38.400111.5N706 K712 L713N706-Q709 PolarHBondContact O-N 2.87Å; N706-Q709 VanDerWaalsContact O-N 3.11Å; N706-Q709 VanDerWaalsContact OD1-CB 3.31Å; N706-Q709 WeakPolarHBondContact OD1-CB 3.5Å; N706-Q709 WeakPolarHBondContact OD1-CG 3.42Å; N706-Q709 PolarHBondContact OD1-N 3.32Å; N706-Q709 PolarHBondContact OD1-OE1 3.24Å; Q709-K712 PolarHBondContact O-N 3.23Å; Q709-L713 PolarHBondContact O-N 3.34Å
710Q95.1Very high94.1Very high35 Ų3565.8 Ų65.816%0.16433%0.332CS..Hα-helixtrans-69.1-41.3174.8-70.5-173.7-26.600112.1L693 I696 N706 E707 L713 L714L693-Q710 HydrophobicContact CD2-CB 3.7Å; I696-Q710 HydrophobicContact CD1-CB 3.93Å; I696-Q710 HydrophobicContact CD1-CG 4.3Å; N706-Q710 PolarHBondContact O-N 2.61Å; E707-Q710 PolarHBondContact O-N 3.42Å; Q710-L713 PolarHBondContact O-N 3.45Å; Q710-L714 WeakPolarHBondContact O-CG 3.33Å; Q710-L714 PolarHBondContact O-N 2.92Å
711E95.9Very high94.3Very high66 Ų6667.1 Ų67.131%0.30834%0.341SS..Hα-helixtrans-60.8-44.7171.4-175.4-176.3138.300111.2E707 E708 L713 L714 R715 L728E707-E711 WeakPolarHBondContact O-CB 3.15Å; E707-E711 PolarHBondContact O-N 3.47Å; E708-E711 PolarHBondContact O-N 2.76Å; E711-L713 VanDerWaalsContact C-N 3.32Å; E711-L713 PolarHBondContact O-N 3.32Å; E711-L714 WeakPolarHBondContact O-CB 3.45Å; E711-L714 PolarHBondContact O-N 3.49Å; E711-R715 WeakPolarHBondContact O-CG 3.31Å; E711-R715 PolarHBondContact O-N 3.11Å; E711-R715 IonicContact OE1-CZ 2.76Å; E711-R715 IonicContact OE1-NE 2.71Å; E711-R715 PolarHBondContact OE1-NE 3.3Å; E711-R715 IonicContact OE1-NH2 3.83Å; E711-R715 PolarHBondContact OE1-NH2 3.09Å; E711-L728 HydrophobicContact CG-CD1 4.2Å; E711-L728 HydrophobicContact CG-CD2 3.87Å
712K96.6Very high94.7Very high128 Ų12867.2 Ų67.256%0.55733%0.333SS*.Hα-helixtrans-58-44.8175.8-178.5178.1176.7-76.80111.4E708 Q709 L714 R715 E716E708-K712 WeakPolarHBondContact O-CB 3.48Å; E708-K712 PolarHBondContact O-N 2.81Å; Q709-K712 PolarHBondContact O-N 3.23Å; K712-L714 VanDerWaalsContact C-N 3.35Å; K712-L714 PolarHBondContact O-N 2.97Å; K712-R715 PolarHBondContact O-N 3.39Å; K712-E716 IonicContact NZ-OE1 2.76Å; K712-E716 PolarHBondContact NZ-OE1 3.21Å; K712-E716 PolarHBondContact O-N 2.79Å; K712-E716 VanDerWaalsContact O-N 3.08Å
713L97.3Very high95.2Very high22 Ų2258.9 Ų58.912%0.11530%0.295CS..Hα-helixtrans-61.1-42.8176.5-175.365.1000111.6L630 I696 L699 E703 Q709 Q710 E711 R715 E716 W717L630-L713 HydrophobicContact CD1-CD2 4.48Å; L630-L713 HydrophobicContact CD1-CG 4.3Å; I696-L713 HydrophobicContact CD1-CD2 4.25Å; L699-L713 HydrophobicContact CD1-CD2 4.44Å; L699-L713 HydrophobicContact CD2-CD2 3.46Å; L699-L713 VanDerWaalsContact CD2-CD2 3.46Å; E703-L713 HydrophobicContact CB-CD2 4.44Å; Q709-L713 PolarHBondContact O-N 3.34Å; Q710-L713 PolarHBondContact O-N 3.45Å; E711-L713 VanDerWaalsContact C-N 3.32Å; E711-L713 PolarHBondContact O-N 3.32Å; L713-R715 VanDerWaalsContact C-N 3.33Å; L713-R715 PolarHBondContact O-N 3.19Å; L713-E716 PolarHBondContact O-N 2.97Å; L713-W717 PolarHBondContact O-N 2.74Å
714L98.1Very high95.3Very high0 Ų064 Ų640%032%0.32CS..Hα-helixtrans-59.4-43.2174.2-70.5164.4000111.5V628 L686 L693 I696 Q710 E711 K712 E716 W717 L718V628-L714 HydrophobicContact CB-CD2 4.12Å; V628-L714 HydrophobicContact CG1-CD2 3.88Å; V628-L714 HydrophobicContact CG2-CD2 4Å; L686-L714 HydrophobicContact CD1-CB 4.43Å; L686-L714 HydrophobicContact CD1-CD1 4.43Å; L693-L714 HydrophobicContact CD1-CD1 3.88Å; L693-L714 HydrophobicContact CD2-CD1 4.32Å; L693-L714 HydrophobicContact CG-CD1 4.33Å; I696-L714 HydrophobicContact CD1-CD1 4.09Å; I696-L714 HydrophobicContact CD1-CD2 4Å; I696-L714 HydrophobicContact CD1-CG 3.71Å; I696-L714 HydrophobicContact CG1-CD1 4.4Å; I696-L714 HydrophobicContact CG1-CD2 4.15Å; I696-L714 HydrophobicContact CG1-CG 4.28Å; Q710-L714 WeakPolarHBondContact O-CG 3.33Å; Q710-L714 PolarHBondContact O-N 2.92Å; E711-L714 WeakPolarHBondContact O-CB 3.45Å; E711-L714 PolarHBondContact O-N 3.49Å; K712-L714 VanDerWaalsContact C-N 3.35Å; K712-L714 PolarHBondContact O-N 2.97Å; L714-E716 VanDerWaalsContact C-N 3.27Å; L714-E716 PolarHBondContact O-N 3.21Å; L714-W717 PolarHBondContact O-N 2.69Å; L714-L718 HydrophobicContact CB-CD1 4.27Å; L714-L718 HydrophobicContact CD2-CD1 3.65Å; L714-L718 WeakPolarHBondContact O-CB 3.29Å; L714-L718 PolarHBondContact O-N 3.21Å
715R97.9Very high95.6Very high86 Ų8663.2 Ų63.233%0.32533%0.325SS..Hα-helixtrans-66.6-22.8177.7-68.8178.5-179.5-68.9-1.2114.4K641 E711 K712 L713 L718 C720 L728K641-R715 PolarHBondContact NZ-O 3.3Å; K641-R715 VanDerWaalsContact NZ-O 3.09Å; E711-R715 WeakPolarHBondContact O-CG 3.31Å; E711-R715 PolarHBondContact O-N 3.11Å; E711-R715 IonicContact OE1-CZ 2.76Å; E711-R715 IonicContact OE1-NE 2.71Å; E711-R715 PolarHBondContact OE1-NE 3.3Å; E711-R715 IonicContact OE1-NH2 3.83Å; E711-R715 PolarHBondContact OE1-NH2 3.09Å; K712-R715 PolarHBondContact O-N 3.39Å; L713-R715 VanDerWaalsContact C-N 3.33Å; L713-R715 PolarHBondContact O-N 3.19Å; R715-L718 VanDerWaalsContact O-O 3.11Å; R715-C720 HydrophobicContact CG-CB 4.15Å; R715-C720 PolarHBondContact NH1-O 3.01Å; R715-L728 VanDerWaalsContact NH2-CD1 3.28Å
716E97.3Very high96Very high68 Ų6863.9 Ų63.932%0.31833%0.332SS..Hα-helixtrans-74.8-43.8171.7-72.1176.8-15700111.6Q636 K641 K712 L713 L714Q636-E716 PolarHBondContact NE2-OE2 2.64Å; K641-E716 WeakPolarHBondContact CE-O 3.32Å; K641-E716 PolarHBondContact NZ-O 2.9Å; K712-E716 IonicContact NZ-OE1 2.76Å; K712-E716 PolarHBondContact NZ-OE1 3.21Å; K712-E716 PolarHBondContact O-N 2.79Å; K712-E716 VanDerWaalsContact O-N 3.08Å; L713-E716 PolarHBondContact O-N 2.97Å; L714-E716 VanDerWaalsContact C-N 3.27Å; L714-E716 PolarHBondContact O-N 3.21Å
717W98.4Very high96.3Very high18 Ų1860.1 Ų60.17%0.06831%0.312CS..Hα-helixtrans-91.4-19.2-173.9-72.997.4000116.1L630 P631 L632 W634 Q636 C639 L713 L714L630-W717 HydrophobicContact CD1-CB 4.08Å; L630-W717 HydrophobicContact CD1-CG 3.96Å; L630-W717 HydrophobicContact CD2-CB 3.82Å; L630-W717 HydrophobicContact CD2-CG 4.37Å; L630-W717 HydrophobicContact CG-CB 4.45Å; P631-W717 HydrophobicContact CG-CE3 4.03Å; P631-W717 HydrophobicContact CG-CZ3 3.81Å; P631-W717 WeakPolarHBondContact O-CH2 3.11Å; P631-W717 WeakPolarHBondContact O-CZ3 3.38Å; L632-W717 HydrophobicContact CD2-CZ2 3.86Å; W634-W717 WeakPolarHBondContact O-CH2 3.22Å; Q636-W717 HydrophobicContact CG-CD2 3.99Å; Q636-W717 HydrophobicContact CG-CE3 4.13Å; Q636-W717 HydrophobicContact CG-CH2 3.86Å; Q636-W717 HydrophobicContact CG-CZ2 3.68Å; Q636-W717 HydrophobicContact CG-CZ3 4.06Å; C639-W717 HydrophobicContact CB-CZ3 4.21Å; L713-W717 PolarHBondContact O-N 2.74Å; L714-W717 PolarHBondContact O-N 2.69Å
718L98.4Very high96.7Very high0 Ų055.3 Ų55.30%029%0.29CS..SBendtrans-123.3162.9178.7-65.1150.2000109.1P603 V628 L630 K641 P643 L686 L714 R715 C720 A730P603-L718 HydrophobicContact CB-CD2 3.66Å; P603-L718 HydrophobicContact CB-CG 4.35Å; P603-L718 HydrophobicContact CG-CD2 3.65Å; P603-L718 HydrophobicContact CG-CG 4.04Å; V628-L718 HydrophobicContact CG1-CD1 4.33Å; L630-L718 HydrophobicContact CD2-CD1 4.5Å; K641-L718 PolarHBondContact NZ-O 2.99Å; P643-L718 HydrophobicContact CB-CD2 3.81Å; P643-L718 HydrophobicContact CG-CD2 3.99Å; L686-L718 HydrophobicContact CD1-CD1 4.16Å; L686-L718 HydrophobicContact CD2-CD1 4.05Å; L714-L718 HydrophobicContact CB-CD1 4.27Å; L714-L718 HydrophobicContact CD2-CD1 3.65Å; L714-L718 WeakPolarHBondContact O-CB 3.29Å; L714-L718 PolarHBondContact O-N 3.21Å; R715-L718 VanDerWaalsContact O-O 3.11Å; L718-C720 VanDerWaalsContact CB-SG 3.5Å; L718-A730 HydrophobicContact CB-CB 4.44Å; L718-A730 HydrophobicContact CD1-CB 4.39Å; L718-A730 HydrophobicContact CD2-CB 4.04Å
719D97.3Very high96.9Very high63 Ų6348.3 Ų48.334%0.33726%0.257SS..  trans-91.2116.3161.3-75-40000107.8K641 A730 L731K641-D719 HydrophobicContact CD-CB 4.4Å; K641-D719 WeakPolarHBondContact CD-OD1 3.44Å; K641-D719 WeakPolarHBondContact CD-OD2 3.38Å; K641-D719 IonicContact NZ-OD1 3.42Å; K641-D719 PolarHBondContact NZ-OD1 3.27Å; K641-D719 VanDerWaalsContact NZ-OD1 3.15Å; D719-A730 CarbonylContact O-C 3.34Å; D719-A730 WeakPolarHBondContact O-CA 3.46Å; D719-L731 HydrophobicContact CB-CB 4.37Å; D719-L731 HydrophobicContact CB-CD1 4.48Å; D719-L731 PolarHBondContact O-N 3.11Å
720C97.8Very high97.1Very high23 Ų2343 Ų4316%0.15523%0.233CC..EExtended strand (participates in β ladder)trans-125.5136.3-174-500000112.2L686 R715 L718 L728 V729L686-C720 HydrophobicContact CD1-CB 4.38Å; L686-C720 VanDerWaalsContact CD1-SG 3.55Å; R715-C720 HydrophobicContact CG-CB 4.15Å; R715-C720 PolarHBondContact NH1-O 3.01Å; L718-C720 VanDerWaalsContact CB-SG 3.5Å; C720-L728 HydrophobicContact CB-CD1 4.38Å; C720-V729 CarbonylContact C-O 3.59Å; C720-V729 WeakPolarHBondContact CA-O 3.06Å; C720-V729 WeakPolarHBondContact CB-O 3.3Å
721C97.3Very high97.2Very high42 Ų4242.8 Ų42.828%0.28423%0.232SC..EExtended strand (participates in β ladder)trans-117.8178.8165.874.80000110.9V729C721-V729 PolarHBondContact N-O 3.17Å; C721-V729 VanDerWaalsContact N-O 3.09Å; C721-V729 PolarHBondContact O-N 3.19Å; C721-V729 VanDerWaalsContact O-N 3.09Å; C721-V729 WeakPolarHBondContact SG-CG2 3.4Å
722V97.8Very high97.2Very high80 Ų8039.8 Ų39.849%0.48522%0.218SC..EExtended strand (participates in β ladder)trans-119.6128.6167.3-175.40000106.5I727 L728V722-I727 CarbonylContact C-O 3.49Å; V722-I727 VanDerWaalsContact CA-O 3.31Å; V722-I727 WeakPolarHBondContact CA-O 3.38Å; V722-L728 HydrophobicContact CG2-CD1 4.11Å
723T96.9Very high96.9Very high15 Ų1537 Ų379%0.09221%0.206CC..  trans-71.6168.2179.266.10000112.1E490 L491 L495 G725 G726 I727 V729E490-T723 VanDerWaalsContact CD-CB 3.48Å; E490-T723 VanDerWaalsContact CD-OG1 3.29Å; E490-T723 WeakPolarHBondContact OE1-CB 3.35Å; E490-T723 VanDerWaalsContact OE2-CB 3.27Å; E490-T723 WeakPolarHBondContact OE2-CB 3.49Å; E490-T723 PolarHBondContact OE2-OG1 3.15Å; L491-T723 HydrophobicContact CD2-CG2 3.85Å; L495-T723 HydrophobicContact CD1-CG2 4.06Å; T723-G725 PolarHBondContact O-N 2.99Å; T723-G726 WeakPolarHBondContact O-CA 3.37Å; T723-G726 PolarHBondContact O-N 3.28Å; T723-I727 HydrophobicContact CG2-CB 4.25Å; T723-I727 PolarHBondContact N-O 2.93Å; T723-I727 VanDerWaalsContact OG1-CB 3.29Å; T723-I727 WeakPolarHBondContact OG1-CB 3.33Å; T723-I727 WeakPolarHBondContact OG1-CG1 3.16Å; T723-I727 PolarHBondContact OG1-N 3.47Å; T723-V729 HydrophobicContact CG2-CG1 4.1Å; T723-V729 HydrophobicContact CG2-CG2 3.98Å
724E94.5Very high96.2Very high164 Ų16436.6 Ų36.677%0.76621%0.205SC*.THydrogen-bonded Turntrans-62.4-31.8175-62.7170.9113.300111.9E490 R494 G726E490-E724 PolarHBondContact OE1-N 3.35Å; R494-E724 IonicContact CZ-OE2 3.72Å; R494-E724 IonicContact NH1-OE2 2.81Å; R494-E724 PolarHBondContact NH1-OE2 3.4Å; R494-E724 IonicContact NH2-OE2 3.82Å; R494-E724 PolarHBondContact NH2-OE2 3.15Å; E724-G726 PolarHBondContact O-N 3.08Å
725G93.6Very high95.2Very high38 Ų3837.7 Ų37.739%0.39221%0.213SC..THydrogen-bonded Turntrans-73.86.3168.500000115.3E490 R691 T723E490-G725 PolarHBondContact OE1-N 2.93Å; E490-G725 WeakPolarHBondContact OE2-CA 3.45Å; E490-G725 PolarHBondContact OE2-N 2.82Å; R691-G725 PolarHBondContact NH2-O 3.08Å; T723-G725 PolarHBondContact O-N 2.99Å
726G95.9Very high93.8Very high45 Ų4537.7 Ų37.746%0.46421%0.213SC..  trans75.527.1176.100000114.5T723 E724T723-G726 WeakPolarHBondContact O-CA 3.37Å; T723-G726 PolarHBondContact O-N 3.28Å; E724-G726 PolarHBondContact O-N 3.08Å
727I97.9Very high92.2Very high0 Ų042.3 Ų42.30%023%0.227CC..  trans-96.2120.5-178.3-45.7-177.4000109.6W487 S488 E490 L491 P685 V687 R691 V722 T723 V729W487-I727 HydrophobicContact CH2-CD1 4.37Å; W487-I727 HydrophobicContact CH2-CG2 4.45Å; W487-I727 HydrophobicContact CZ3-CD1 4.48Å; S488-I727 WeakPolarHBondContact OG-CD1 3.14Å; E490-I727 WeakPolarHBondContact OE2-CD1 3.46Å; L491-I727 HydrophobicContact CD1-CD1 4.37Å; L491-I727 HydrophobicContact CD1-CG2 4.41Å; L491-I727 HydrophobicContact CD2-CD1 4.36Å; L491-I727 HydrophobicContact CG-CD1 4.16Å; P685-I727 HydrophobicContact CB-CG2 4.34Å; V687-I727 HydrophobicContact CG2-CG2 3.71Å; R691-I727 VanDerWaalsContact NH2-CG1 3.34Å; V722-I727 CarbonylContact C-O 3.49Å; V722-I727 VanDerWaalsContact CA-O 3.31Å; V722-I727 WeakPolarHBondContact CA-O 3.38Å; T723-I727 HydrophobicContact CG2-CB 4.25Å; T723-I727 PolarHBondContact N-O 2.93Å; T723-I727 VanDerWaalsContact OG1-CB 3.29Å; T723-I727 WeakPolarHBondContact OG1-CB 3.33Å; T723-I727 WeakPolarHBondContact OG1-CG1 3.16Å; T723-I727 PolarHBondContact OG1-N 3.47Å; I727-V729 HydrophobicContact CB-CG1 4.27Å; I727-V729 HydrophobicContact CG2-CG1 3.9Å; I727-V729 PolarHBondContact O-N 2.84Å
728L98.4Very high91Very high11 Ų1146.4 Ų46.46%0.05826%0.257CS..EExtended strand (participates in β ladder)trans-69.1122.2167.3-17872.6000109.2L686 V687 L693 E711 R715 C720 V722L686-L728 HydrophobicContact CB-CD2 3.97Å; L686-L728 HydrophobicContact CB-CG 4.05Å; L686-L728 HydrophobicContact CD1-CD2 4.27Å; L686-L728 HydrophobicContact CD1-CG 4.15Å; L686-L728 PolarHBondContact N-O 3.26Å; V687-L728 HydrophobicContact CG1-CB 4.31Å; L693-L728 HydrophobicContact CD1-CD2 3.54Å; E711-L728 HydrophobicContact CG-CD1 4.2Å; E711-L728 HydrophobicContact CG-CD2 3.87Å; R715-L728 VanDerWaalsContact NH2-CD1 3.28Å; C720-L728 HydrophobicContact CB-CD1 4.38Å; V722-L728 HydrophobicContact CG2-CD1 4.11Å
729V98.6Very high90.3Very high0 Ų048.5 Ų48.50%027%0.269CS..EExtended strand (participates in β ladder)trans-133.8145.5-175.8-67.60000110.9L491 F683 L684 C720 C721 T723 I727L491-V729 HydrophobicContact CD1-CG1 4.1Å; L491-V729 HydrophobicContact CD2-CG1 3.88Å; F683-V729 HydrophobicContact CB-CB 4.32Å; F683-V729 HydrophobicContact CB-CG1 4.38Å; F683-V729 HydrophobicContact CB-CG2 4.33Å; F683-V729 HydrophobicContact CD1-CG2 3.91Å; L684-V729 CarbonylContact O-C 3.39Å; L684-V729 VanDerWaalsContact O-CA 3.24Å; L684-V729 WeakPolarHBondContact O-CA 3.47Å; C720-V729 CarbonylContact C-O 3.59Å; C720-V729 WeakPolarHBondContact CA-O 3.06Å; C720-V729 WeakPolarHBondContact CB-O 3.3Å; C721-V729 PolarHBondContact N-O 3.17Å; C721-V729 VanDerWaalsContact N-O 3.09Å; C721-V729 PolarHBondContact O-N 3.19Å; C721-V729 VanDerWaalsContact O-N 3.09Å; C721-V729 WeakPolarHBondContact SG-CG2 3.4Å; T723-V729 HydrophobicContact CG2-CG1 4.1Å; T723-V729 HydrophobicContact CG2-CG2 3.98Å; I727-V729 HydrophobicContact CB-CG1 4.27Å; I727-V729 HydrophobicContact CG2-CG1 3.9Å; I727-V729 PolarHBondContact O-N 2.84Å
730A98.6Very high90Very high0 Ų047.6 Ų47.60%026%0.262CS..EExtended strand (participates in β ladder)trans-89.6147.1164.600000110.3I605 P643 L684 L686 L718 D719I605-A730 HydrophobicContact CD1-CB 4.12Å; P643-A730 HydrophobicContact CG-CB 4.22Å; L684-A730 PolarHBondContact N-O 2.87Å; L684-A730 PolarHBondContact O-N 2.92Å; L686-A730 HydrophobicContact CD1-CB 4.04Å; L686-A730 HydrophobicContact CD2-CB 4.05Å; L686-A730 HydrophobicContact CG-CB 4.05Å; L718-A730 HydrophobicContact CB-CB 4.44Å; L718-A730 HydrophobicContact CD1-CB 4.39Å; L718-A730 HydrophobicContact CD2-CB 4.04Å; D719-A730 CarbonylContact O-C 3.34Å; D719-A730 WeakPolarHBondContact O-CA 3.46Å
731L97.4Very high89.8Confident29 Ų2951 Ų5115%0.15228%0.284CS..EExtended strand (participates in β ladder)trans-96.5107.4177.7-54-174.8000109.9V681 F683 D719 K733V681-L731 HydrophobicContact CG1-CB 4.11Å; V681-L731 HydrophobicContact CG1-CD2 3.94Å; V681-L731 HydrophobicContact CG1-CG 4.42Å; F683-L731 HydrophobicContact CD1-CD2 3.35Å; F683-L731 HydrophobicContact CE1-CD2 3.4Å; F683-L731 VanDerWaalsContact CE1-CD2 3.4Å; F683-L731 HydrophobicContact CG-CD2 4.32Å; F683-L731 HydrophobicContact CZ-CD2 4.39Å; D719-L731 HydrophobicContact CB-CB 4.37Å; D719-L731 HydrophobicContact CB-CD1 4.48Å; D719-L731 PolarHBondContact O-N 3.11Å; L731-K733 PolarHBondContact O-N 3.47Å
732Q96.3Very high89.7Confident4 Ų450.8 Ų50.82%0.01928%0.28CS..EExtended strand (participates in β ladder)trans-84.4103162.1171.4176.786.100107.8T447 S642 P643 T682 L684T447-Q732 HydrophobicContact CG2-CG 4.07Å; S642-Q732 WeakPolarHBondContact OG-CA 3.33Å; P643-Q732 HydrophobicContact CG-CB 4.35Å; P643-Q732 PolarHBondContact O-NE2 3.23Å; T682-Q732 PolarHBondContact N-O 3.28Å; T682-Q732 PolarHBondContact O-N 3.49Å; L684-Q732 HydrophobicContact CD1-CB 3.7Å; L684-Q732 HydrophobicContact CG-CB 4.34Å
733K89.3Confident89.6Confident69 Ų6947.6 Ų47.630%0.326%0.261SS..EExtended strand (participates in β ladder)trans-89.9137.8175.8-74.2159.3158.3-81.70110.7S642 E679 V681 L731S642-K733 PolarHBondContact OG-N 3.49Å; S642-K733 PolarHBondContact OG-O 2.91Å; E679-K733 HydrophobicContact CG-CB 4.45Å; E679-K733 WeakPolarHBondContact OE1-CD 3.4Å; E679-K733 WeakPolarHBondContact OE1-CG 3.46Å; E679-K733 IonicContact OE1-NZ 3.21Å; E679-K733 PolarHBondContact OE1-NZ 2.91Å; E679-K733 IonicContact OE2-NZ 2.71Å; E679-K733 PolarHBondContact OE2-NZ 3.24Å; V681-K733 HydrophobicContact CG2-CG 4.19Å; L731-K733 PolarHBondContact O-N 3.47Å
734S82.7Confident89.5Confident13 Ų1349.8 Ų49.89%0.09127%0.274CS..EExtended strand (participates in β ladder)trans-139.7161.3171.8330000110.1E679 T680E679-S734 CarbonylContact C-O 3.55Å; E679-S734 WeakPolarHBondContact CA-O 3.37Å; E679-S734 WeakPolarHBondContact CG-O 3.22Å; T680-S734 PolarHBondContact N-O 3.38Å; T680-S734 PolarHBondContact O-N 3.17Å; T680-S734 PolarHBondContact OG1-O 3.09Å; T680-S734 PolarHBondContact OG1-OG 3.34Å
735S77Confident89.6Confident23 Ų2346.5 Ų46.516%0.16126%0.259CS..EExtended strand (participates in β ladder)trans-150.9133173.1178.10000110.5D678 R737 C738 N739D678-S735 WeakPolarHBondContact O-CA 3.46Å; D678-S735 VanDerWaalsContact O-CB 3.26Å; D678-S735 WeakPolarHBondContact O-CB 3.42Å; D678-S735 PolarHBondContact O-OG 3.37Å; S735-R737 PolarHBondContact O-N 3.04Å; S735-R737 VanDerWaalsContact O-N 3.1Å; S735-C738 CarbonylContact O-C 3.59Å; S735-C738 WeakPolarHBondContact O-CA 3.48Å; S735-C738 PolarHBondContact O-N 3.01Å; S735-N739 PolarHBondContact O-N 2.95Å; S735-N739 VanDerWaalsContact O-N 3.16Å; S735-N739 PolarHBondContact O-OD1 3.24Å
736R69.4Low89.7Confident87 Ų8744.7 Ų44.733%0.32824%0.24SC..THydrogen-bonded Turntrans-55.3-31.1-179.9-73.6-179.2167.51612113.3A452 E660 D662 C738A452-R736 VanDerWaalsContact CB-NH2 3.28Å; E660-R736 IonicContact OE2-CZ 3.77Å; E660-R736 VanDerWaalsContact OE2-CZ 3.3Å; E660-R736 IonicContact OE2-NE 2.71Å; E660-R736 PolarHBondContact OE2-NE 3.39Å; E660-R736 IonicContact OE2-NH2 3.98Å; E660-R736 PolarHBondContact OE2-NH2 2.94Å; D662-R736 IonicContact OD1-CZ 3.89Å; D662-R736 IonicContact OD1-NH1 2.71Å; D662-R736 PolarHBondContact OD1-NH1 3.09Å; D662-R736 IonicContact OD1-NH2 2.69Å; D662-R736 PolarHBondContact OD1-NH2 3.03Å; R736-C738 VanDerWaalsContact C-N 3.28Å; R736-C738 PolarHBondContact O-N 3.42Å
737R63.3Low89.7Confident164 Ų16443.2 Ų43.262%0.61922%0.222SC*.THydrogen-bonded Turntrans-72.3-20.1176.7-58.6-172.5-171.7-179.39.2113.7D678 S735D678-R737 HydrophobicContact CB-CG 4.43Å; D678-R737 IonicContact OD2-CZ 3.27Å; D678-R737 IonicContact OD2-NE 2.7Å; D678-R737 PolarHBondContact OD2-NE 3.33Å; D678-R737 IonicContact OD2-NH2 2.82Å; D678-R737 PolarHBondContact OD2-NH2 3.42Å; S735-R737 PolarHBondContact O-N 3.04Å; S735-R737 VanDerWaalsContact O-N 3.1Å
738C72.9Confident89.5Confident104 Ų10446.6 Ų46.670%0.70324%0.238SC*.THydrogen-bonded Turntrans-104-6.3-179.8-62.60000113S735 R736 H740S735-C738 CarbonylContact O-C 3.59Å; S735-C738 WeakPolarHBondContact O-CA 3.48Å; S735-C738 PolarHBondContact O-N 3.01Å; R736-C738 VanDerWaalsContact C-N 3.28Å; R736-C738 PolarHBondContact O-N 3.42Å; C738-H740 PolarHBondContact O-N 2.92Å
739N83.4Confident89.3Confident44 Ų4449.7 Ų49.724%0.23525%0.251CS..SBendtrans-61.2134.3176.5-74-3.1000110.5E660 S735E660-N739 PolarHBondContact OE1-ND2 2.76Å; E660-N739 VanDerWaalsContact OE1-ND2 3.12Å; S735-N739 PolarHBondContact O-N 2.95Å; S735-N739 VanDerWaalsContact O-N 3.16Å; S735-N739 PolarHBondContact O-OD1 3.24Å
740H91.5Very high89.2Confident44 Ų4449.9 Ų49.920%0.20425%0.252CS..  trans-67.9126.8-172.5-174.7-100.2000111.5V446 W520 C738 L742 V743 T744V446-H740 HydrophobicContact CG1-CB 4.14Å; W520-H740 HydrophobicContact CZ3-CB 4.35Å; W520-H740 AromaticContact CZ3-CE1 3.86Å; W520-H740 AromaticContact CZ3-CG 3.74Å; W520-H740 AromaticContact CZ3-ND1 3.6Å; C738-H740 PolarHBondContact O-N 2.92Å; H740-L742 VanDerWaalsContact C-N 3.28Å; H740-L742 PolarHBondContact O-N 3.11Å; H740-V743 HydrophobicContact CB-CB 4.38Å; H740-V743 HydrophobicContact CB-CG2 4.01Å; H740-V743 WeakPolarHBondContact O-CA 3.34Å; H740-V743 WeakPolarHBondContact O-CB 3.35Å; H740-V743 PolarHBondContact O-N 3.32Å; H740-T744 PolarHBondContact O-N 2.96Å; H740-T744 PolarHBondContact O-OG1 2.93Å
741P93.4Very high89Confident95 Ų9549.9 Ų49.962%0.61725%0.252SS*.Hα-helixtrans-56.1-34.1-168.4-30.135.9000115.9Q745P741-Q745 WeakPolarHBondContact O-CB 3.18Å; P741-Q745 PolarHBondContact O-N 3.02Å
742L95.8Very high88.9Confident37 Ų3751.7 Ų51.719%0.19426%0.262CS..Hα-helixtrans-70.2-33.6175.9-59-176.6000112.5L418 Q421 I422 H740 M746L418-L742 HydrophobicContact CD1-CB 4Å; L418-L742 HydrophobicContact CD1-CD2 3.8Å; L418-L742 HydrophobicContact CD1-CG 4.4Å; Q421-L742 HydrophobicContact CB-CD1 3.86Å; I422-L742 HydrophobicContact CD1-CB 4.32Å; I422-L742 HydrophobicContact CG1-CB 3.63Å; I422-L742 HydrophobicContact CG1-CD1 4.3Å; H740-L742 VanDerWaalsContact C-N 3.28Å; H740-L742 PolarHBondContact O-N 3.11Å; L742-M746 WeakPolarHBondContact O-CB 3.41Å; L742-M746 PolarHBondContact O-N 2.86Å
743V95.2Very high88.6Confident13 Ų1353.6 Ų53.68%0.07928%0.282CS..Hα-helixtrans-71.8-45.7177.3-178.20000109.3I422 F448 W520 H740 Q745 M746 V747I422-V743 HydrophobicContact CD1-CG2 4.26Å; F448-V743 HydrophobicContact CD2-CG1 4.17Å; F448-V743 HydrophobicContact CE2-CG1 4.43Å; W520-V743 HydrophobicContact CE3-CG2 3.99Å; H740-V743 HydrophobicContact CB-CB 4.38Å; H740-V743 HydrophobicContact CB-CG2 4.01Å; H740-V743 WeakPolarHBondContact O-CA 3.34Å; H740-V743 WeakPolarHBondContact O-CB 3.35Å; H740-V743 PolarHBondContact O-N 3.32Å; V743-Q745 VanDerWaalsContact C-N 3.35Å; V743-Q745 PolarHBondContact O-N 3.36Å; V743-M746 HydrophobicContact CG1-CE 4.37Å; V743-M746 WeakPolarHBondContact O-CB 3.44Å; V743-M746 PolarHBondContact O-N 2.96Å; V743-V747 WeakPolarHBondContact O-CG2 3.5Å; V743-V747 PolarHBondContact O-N 3.49Å
744T94.4Very high88.8Confident61 Ų6150.7 Ų50.737%0.37427%0.27SS..Hα-helixtrans-55.4-48.2172.4-47.90000111.3H740 M746 V747 E748H740-T744 PolarHBondContact O-N 2.96Å; H740-T744 PolarHBondContact O-OG1 2.93Å; T744-M746 VanDerWaalsContact C-N 3.25Å; T744-M746 PolarHBondContact O-N 3.36Å; T744-V747 PolarHBondContact O-N 3.25Å; T744-E748 WeakPolarHBondContact O-CG 3.17Å; T744-E748 PolarHBondContact O-N 3.06Å
745Q95.8Very high89.3Confident95 Ų9554.5 Ų54.544%0.44428%0.282SS..Hα-helixtrans-63.5-28.9177.3-172.5-177.984.100113.2L418 P741 V743 K749L418-Q745 HydrophobicContact CD2-CB 3.94Å; L418-Q745 HydrophobicContact CD2-CG 3.79Å; P741-Q745 WeakPolarHBondContact O-CB 3.18Å; P741-Q745 PolarHBondContact O-N 3.02Å; V743-Q745 VanDerWaalsContact C-N 3.35Å; V743-Q745 PolarHBondContact O-N 3.36Å; Q745-K749 WeakPolarHBondContact O-CG 3.34Å; Q745-K749 PolarHBondContact O-N 3.44Å
746M96.5Very high90Very high1 Ų160.5 Ų60.51%0.00531%0.307CS..Hα-helixtrans-74.1-43.1176.7-179-178.763.400111.3P411 A412 L418 I422 I522 L742 V743 T744 W750P411-M746 HydrophobicContact CB-CE 4.03Å; P411-M746 HydrophobicContact CB-CG 3.91Å; P411-M746 HydrophobicContact CB-SD 4.21Å; P411-M746 WeakPolarHBondContact O-CG 3.28Å; A412-M746 HydrophobicContact CB-SD 4.34Å; L418-M746 HydrophobicContact CD2-CB 3.85Å; L418-M746 HydrophobicContact CG-CB 4.34Å; I422-M746 HydrophobicContact CD1-CB 4.13Å; I422-M746 HydrophobicContact CD1-CE 3.82Å; I422-M746 HydrophobicContact CD1-CG 4.49Å; I422-M746 HydrophobicContact CD1-SD 3.63Å; I522-M746 HydrophobicContact CG2-CE 3.74Å; I522-M746 HydrophobicContact CG2-SD 3.76Å; L742-M746 WeakPolarHBondContact O-CB 3.41Å; L742-M746 PolarHBondContact O-N 2.86Å; V743-M746 HydrophobicContact CG1-CE 4.37Å; V743-M746 WeakPolarHBondContact O-CB 3.44Å; V743-M746 PolarHBondContact O-N 2.96Å; T744-M746 VanDerWaalsContact C-N 3.25Å; T744-M746 PolarHBondContact O-N 3.36Å; M746-W750 PolarHBondContact O-N 2.86Å
747V95.7Very high90.9Very high14 Ų1459.1 Ų59.19%0.08531%0.306CS..Hα-helixtrans-65.6-44.7176.9174.10000111F448 P451 V743 T744 K749 W750 L751F448-V747 HydrophobicContact CE2-CG2 3.67Å; F448-V747 HydrophobicContact CZ-CG2 4.11Å; P451-V747 HydrophobicContact CB-CG1 4.19Å; P451-V747 HydrophobicContact CG-CG1 3.63Å; V743-V747 WeakPolarHBondContact O-CG2 3.5Å; V743-V747 PolarHBondContact O-N 3.49Å; T744-V747 PolarHBondContact O-N 3.25Å; V747-K749 PolarHBondContact O-N 3.32Å; V747-W750 HydrophobicContact CG1-CE3 4.33Å; V747-W750 WeakPolarHBondContact O-CB 3.45Å; V747-W750 PolarHBondContact O-N 3Å; V747-W750 VanDerWaalsContact O-N 3.11Å; V747-L751 HydrophobicContact CG1-CD1 4.39Å; V747-L751 HydrophobicContact CG1-CG 4.44Å; V747-L751 PolarHBondContact O-N 3.32Å
748E94.7Very high91.7Very high71 Ų7161.9 Ų61.933%0.33232%0.316SS..Hα-helixtrans-57.6-47.7175.9-76.6-56.8129.500112.6T744 W750 L751 D752 R755T744-E748 WeakPolarHBondContact O-CG 3.17Å; T744-E748 PolarHBondContact O-N 3.06Å; E748-W750 PolarHBondContact O-N 3.32Å; E748-L751 PolarHBondContact O-N 3.36Å; E748-D752 WeakPolarHBondContact O-CB 3.41Å; E748-D752 PolarHBondContact O-N 3.45Å; E748-R755 IonicContact OE1-NH2 2.7Å; E748-R755 PolarHBondContact OE1-NH2 3.38Å; E748-R755 IonicContact OE2-CZ 3.33Å; E748-R755 VanDerWaalsContact OE2-CZ 3.3Å; E748-R755 IonicContact OE2-NH1 2.67Å; E748-R755 PolarHBondContact OE2-NH1 3.31Å; E748-R755 IonicContact OE2-NH2 2.68Å; E748-R755 PolarHBondContact OE2-NH2 3.32Å
749K94.4Very high91.5Very high76 Ų7661.7 Ų61.733%0.3331%0.314SS..Hα-helixtrans-62.3-29.6177.2-76.9175.9178.21730113.3V414 C415 L418 Q745 V747V414-K749 HydrophobicContact CG1-CB 4.41Å; C415-K749 HydrophobicContact CB-CD 3.99Å; C415-K749 PolarHBondContact SG-NZ 3.05Å; C415-K749 VanDerWaalsContact SG-NZ 3.38Å; L418-K749 HydrophobicContact CD2-CD 4.23Å; Q745-K749 WeakPolarHBondContact O-CG 3.34Å; Q745-K749 PolarHBondContact O-N 3.44Å; V747-K749 PolarHBondContact O-N 3.32Å
750W95.5Very high89.7Confident3 Ų365.5 Ų65.51%0.01134%0.342CS..Hα-helixtrans-76.3-47176.3167.783000110.8C409 P411 V414 L450 P451 I454 L465 V469 M746 V747 E748 D752 G753 Y754C409-W750 PolarHBondContact O-NE1 3.02Å; P411-W750 HydrophobicContact CB-CB 4.17Å; P411-W750 HydrophobicContact CB-CD2 4.46Å; P411-W750 HydrophobicContact CB-CG 4.15Å; P411-W750 HydrophobicContact CG-CB 4.39Å; P411-W750 HydrophobicContact CG-CD2 3.73Å; P411-W750 HydrophobicContact CG-CE3 4.06Å; P411-W750 HydrophobicContact CG-CG 3.9Å; V414-W750 HydrophobicContact CB-CB 4.5Å; V414-W750 HydrophobicContact CG2-CB 3.97Å; V414-W750 HydrophobicContact CG2-CG 4.25Å; L450-W750 HydrophobicContact CD2-CH2 4.33Å; P451-W750 HydrophobicContact CG-CZ3 4.25Å; I454-W750 HydrophobicContact CD1-CH2 4.13Å; I454-W750 HydrophobicContact CD1-CZ3 4.33Å; L465-W750 HydrophobicContact CD1-CH2 4.01Å; L465-W750 HydrophobicContact CD1-CZ2 4.21Å; L465-W750 HydrophobicContact CD2-CH2 3.82Å; L465-W750 HydrophobicContact CD2-CZ2 3.99Å; L465-W750 HydrophobicContact CG-CH2 4.03Å; L465-W750 HydrophobicContact CG-CZ2 3.9Å; V469-W750 HydrophobicContact CB-CZ2 3.87Å; V469-W750 HydrophobicContact CG1-CZ2 4.2Å; V469-W750 HydrophobicContact CG2-CH2 4.38Å; V469-W750 HydrophobicContact CG2-CZ2 3.68Å; M746-W750 PolarHBondContact O-N 2.86Å; V747-W750 HydrophobicContact CG1-CE3 4.33Å; V747-W750 WeakPolarHBondContact O-CB 3.45Å; V747-W750 PolarHBondContact O-N 3Å; V747-W750 VanDerWaalsContact O-N 3.11Å; E748-W750 PolarHBondContact O-N 3.32Å; W750-D752 VanDerWaalsContact C-N 3.33Å; W750-D752 PolarHBondContact O-N 2.92Å; W750-G753 PolarHBondContact O-N 3.08Å; W750-G753 VanDerWaalsContact O-N 3.13Å; W750-Y754 AromaticContact CD1-CE2 3.9Å; W750-Y754 HydrophobicContact CD2-CE2 4.11Å; W750-Y754 AromaticContact CE2-CE2 3.72Å; W750-Y754 HydrophobicContact CG-CE2 4.22Å; W750-Y754 HydrophobicContact CZ2-CE2 4.21Å; W750-Y754 AromaticContact NE1-CE2 3.59Å; W750-Y754 WeakPolarHBondContact O-CD2 3.31Å; W750-Y754 WeakPolarHBondContact O-CE2 3.46Å
751L95.2Very high87.4Confident0 Ų067.5 Ų67.50%037%0.366CS..Hα-helixtrans-58-41.8172.5-73.2-178.9000112.7P451 D453 I454 L465 V747 E748 G753 Y754 R755P451-L751 HydrophobicContact CB-CD1 4.05Å; P451-L751 HydrophobicContact CG-CD1 3.68Å; P451-L751 HydrophobicContact CG-CD2 3.96Å; P451-L751 HydrophobicContact CG-CG 4.07Å; D453-L751 HydrophobicContact CB-CD1 3.62Å; I454-L751 HydrophobicContact CG1-CD2 3.98Å; L465-L751 HydrophobicContact CD1-CD2 4.31Å; V747-L751 HydrophobicContact CG1-CD1 4.39Å; V747-L751 HydrophobicContact CG1-CG 4.44Å; V747-L751 PolarHBondContact O-N 3.32Å; E748-L751 PolarHBondContact O-N 3.36Å; L751-G753 PolarHBondContact O-N 3.05Å; L751-G753 VanDerWaalsContact O-N 3.11Å; L751-Y754 WeakPolarHBondContact O-CA 3.31Å; L751-Y754 PolarHBondContact O-N 3.05Å; L751-R755 WeakPolarHBondContact O-CG 3.38Å; L751-R755 PolarHBondContact O-N 3.02Å
752D94Very high84.9Confident68 Ų6868 Ų6836%0.36437%0.372SS..Hα-helixtrans-55-30.2177-83.4-10.5000113E748 W750 Y754 R755 Q756E748-D752 WeakPolarHBondContact O-CB 3.41Å; E748-D752 PolarHBondContact O-N 3.45Å; W750-D752 VanDerWaalsContact C-N 3.33Å; W750-D752 PolarHBondContact O-N 2.92Å; D752-Y754 VanDerWaalsContact C-N 3.33Å; D752-R755 IonicContact OD1-CZ 3.63Å; D752-R755 IonicContact OD1-NH1 3.87Å; D752-R755 PolarHBondContact OD1-NH1 2.96Å; D752-Q756 WeakPolarHBondContact O-CB 3.5Å; D752-Q756 VanDerWaalsContact O-CG 3.24Å; D752-Q756 WeakPolarHBondContact O-CG 3.23Å; D752-Q756 PolarHBondContact O-N 3.32Å; D752-Q756 PolarHBondContact O-NE2 3.07Å
753G90.3Very high82.2Confident44 Ų4474.3 Ų74.345%0.45441%0.405SS..Hα-helixtrans-64.1-35.9173.600000113.1W750 L751 I757W750-G753 PolarHBondContact O-N 3.08Å; W750-G753 VanDerWaalsContact O-N 3.13Å; L751-G753 PolarHBondContact O-N 3.05Å; L751-G753 VanDerWaalsContact O-N 3.11Å; G753-I757 WeakPolarHBondContact O-CG1 3.45Å
754Y93.9Very high79.4Confident8 Ų878.8 Ų78.83%0.03144%0.437CS..Hα-helixtrans-86.6-40.1178.2-57.6-82.9000112.3V461 L465 E468 W750 L751 D752 Q756 I757V461-Y754 HydrophobicContact CG1-CD1 4.28Å; L465-Y754 HydrophobicContact CB-CD1 3.83Å; L465-Y754 HydrophobicContact CB-CE1 3.73Å; L465-Y754 HydrophobicContact CB-CG 4.3Å; L465-Y754 HydrophobicContact CD1-CD1 4.26Å; L465-Y754 HydrophobicContact CD1-CD2 3.71Å; L465-Y754 HydrophobicContact CD1-CE2 3.99Å; L465-Y754 HydrophobicContact CD1-CG 3.86Å; L465-Y754 HydrophobicContact CG-CD1 4.32Å; L465-Y754 HydrophobicContact CG-CD2 4.26Å; L465-Y754 HydrophobicContact CG-CE1 4.14Å; L465-Y754 HydrophobicContact CG-CE2 4.08Å; L465-Y754 HydrophobicContact CG-CG 4.38Å; E468-Y754 WeakPolarHBondContact OE2-CE1 3.49Å; E468-Y754 PolarHBondContact OE2-OH 3Å; W750-Y754 AromaticContact CD1-CE2 3.9Å; W750-Y754 HydrophobicContact CD2-CE2 4.11Å; W750-Y754 AromaticContact CE2-CE2 3.72Å; W750-Y754 HydrophobicContact CG-CE2 4.22Å; W750-Y754 HydrophobicContact CZ2-CE2 4.21Å; W750-Y754 AromaticContact NE1-CE2 3.59Å; W750-Y754 WeakPolarHBondContact O-CD2 3.31Å; W750-Y754 WeakPolarHBondContact O-CE2 3.46Å; L751-Y754 WeakPolarHBondContact O-CA 3.31Å; L751-Y754 PolarHBondContact O-N 3.05Å; D752-Y754 VanDerWaalsContact C-N 3.33Å; Y754-Q756 PolarHBondContact O-N 3.32Å; Y754-Q756 VanDerWaalsContact O-N 3.12Å; Y754-I757 HydrophobicContact CD1-CD1 4.07Å; Y754-I757 WeakPolarHBondContact O-CB 3.43Å; Y754-I757 PolarHBondContact O-N 3.41Å
755R93.8Very high76.9Confident93 Ų9382.8 Ų82.835%0.35146%0.456SS..Hα-helixtrans-56.2-26.5173.3-65.8172.6-176.8148.5-7.3112.3D453 L457 E748 L751 D752D453-R755 IonicContact OD2-CZ 3.65Å; D453-R755 IonicContact OD2-NE 2.74Å; D453-R755 IonicContact OD2-NH2 2.94Å; D453-R755 PolarHBondContact OD2-NH2 3.16Å; L457-R755 HydrophobicContact CD2-CG 4.03Å; E748-R755 IonicContact OE1-NH2 2.7Å; E748-R755 PolarHBondContact OE1-NH2 3.38Å; E748-R755 IonicContact OE2-CZ 3.33Å; E748-R755 VanDerWaalsContact OE2-CZ 3.3Å; E748-R755 IonicContact OE2-NH1 2.67Å; E748-R755 PolarHBondContact OE2-NH1 3.31Å; E748-R755 IonicContact OE2-NH2 2.68Å; E748-R755 PolarHBondContact OE2-NH2 3.32Å; L751-R755 WeakPolarHBondContact O-CG 3.38Å; L751-R755 PolarHBondContact O-N 3.02Å; D752-R755 IonicContact OD1-CZ 3.63Å; D752-R755 IonicContact OD1-NH1 3.87Å; D752-R755 PolarHBondContact OD1-NH1 2.96Å
756Q90.7Very high74.2Confident148 Ų14881.6 Ų81.669%0.69247%0.47SS*.THydrogen-bonded Turntrans-84.3-10.8175.7-75.4172.174.500114.8D752 Y754 R758D752-Q756 WeakPolarHBondContact O-CB 3.5Å; D752-Q756 VanDerWaalsContact O-CG 3.24Å; D752-Q756 WeakPolarHBondContact O-CG 3.23Å; D752-Q756 PolarHBondContact O-N 3.32Å; D752-Q756 PolarHBondContact O-NE2 3.07Å; Y754-Q756 PolarHBondContact O-N 3.32Å; Y754-Q756 VanDerWaalsContact O-N 3.12Å; Q756-R758 PolarHBondContact O-N 3.1Å
757I88.6Confident71.3Confident58 Ų5890.5 Ų90.530%0.29751%0.511SS..  trans-73.797.2177.5-58.4177.6000108.8V461 K464 G753 Y754V461-I757 HydrophobicContact CG1-CB 4.5Å; V461-I757 HydrophobicContact CG1-CD1 4.36Å; V461-I757 HydrophobicContact CG2-CB 4.21Å; V461-I757 HydrophobicContact CG2-CG2 4.03Å; K464-I757 HydrophobicContact CD-CD1 4.07Å; G753-I757 WeakPolarHBondContact O-CG1 3.45Å; Y754-I757 HydrophobicContact CD1-CD1 4.07Å; Y754-I757 WeakPolarHBondContact O-CB 3.43Å; Y754-I757 PolarHBondContact O-N 3.41Å
758R79.8Confident68.5Low223 Ų22398.5 Ų98.584%0.84255%0.547SS*.PPolyproline II helixtrans-64.4137167-64-175.5-179.9-166.2-2108.9Q756 C760Q756-R758 PolarHBondContact O-N 3.1Å; R758-C760 PolarHBondContact O-N 3.33Å
759P68.2Low65.8Low100 Ų100104 Ų10465%0.64957%0.573SS**PPolyproline II helixtrans-52.2129.5166.8-24.233.8000109.2A761P759-A761 PolarHBondContact O-N 3.03Å
760C47.1Very low63.1Low124 Ų124109.2 Ų109.284%0.83860%0.599SS**PPolyproline II helixtrans-62.8120.6162.1-1710000105.8R758 S762R758-C760 PolarHBondContact O-N 3.33Å; C760-S762 PolarHBondContact O-N 3.4Å
761A42.3Very low60.5Low85 Ų85116.4 Ų116.470%0.70264%0.637SS**  trans-61.8106.1167.300000106.5P759 L763P759-A761 PolarHBondContact O-N 3.03Å; A761-L763 PolarHBondContact O-N 3.17Å
762S40.5Very low57.8Low105 Ų105124.6 Ų124.673%0.73468%0.681SS**  trans-48.8130.5158.4460000106.6C760 S764C760-S762 PolarHBondContact O-N 3.4Å; S762-S764 PolarHBondContact O-N 3.36Å
763L40.6Very low55.5Low170 Ų170128.6 Ų128.689%0.8970%0.703SS**  trans-56.5109.1166.8-69.5168000105.7A761 D765A761-L763 PolarHBondContact O-N 3.17Å; L763-D765 PolarHBondContact O-N 3.34Å; L763-D765 VanDerWaalsContact O-N 3.16Å
764S36.6Very low53.5Low108 Ų108134.3 Ų134.376%0.75572%0.723SS**  trans-61.6117.6160.8-167.20000104.4S762 G766S762-S764 PolarHBondContact O-N 3.36Å; S764-G766 PolarHBondContact O-N 2.92Å
765D40.1Very low50.8Low145 Ų145146.8 Ų146.878%0.77578%0.781SS**  trans-53.8139.4154.4-75.5-48.7000106.7L763 E767L763-D765 PolarHBondContact O-N 3.34Å; L763-D765 VanDerWaalsContact O-N 3.16Å; D765-E767 PolarHBondContact O-N 3.25Å
766G39.4Very low48.7Very low70 Ų70149.5 Ų149.572%0.72280%0.803SS**  trans-73.596-178.800000109.2S764 E768S764-G766 PolarHBondContact O-N 2.92Å; G766-E768 PolarHBondContact O-N 3.44Å
767E37Very low46.4Very low187 Ų187149.6 Ų149.687%0.87481%0.809SS**  trans-65.7107.8153.5-66.1-172.2157.400105.9D765 E769D765-E767 PolarHBondContact O-N 3.25Å; E767-E769 PolarHBondContact O-N 3.1Å
768E36Very low44.1Very low182 Ų182154.7 Ų154.785%0.8584%0.837SS**  trans-67.5129.2-179.6-63.4-178130.300108.7G766 E770G766-E768 PolarHBondContact O-N 3.44Å; E768-E770 PolarHBondContact O-N 2.89Å
769E38.4Very low42Very low188 Ų188150.6 Ų150.688%0.87984%0.837SS**  trans-68.897.4173.4-67.2177.7135.600108.6E767 D771E767-E769 PolarHBondContact O-N 3.1Å; E769-D771 PolarHBondContact O-N 3.14Å
770E36.5Very low40.4Very low185 Ų185153.8 Ų153.886%0.86485%0.849SS**  trans-76.8108.6163.3-73.3-165.213000108.8E768 D772E768-E770 PolarHBondContact O-N 2.89Å; E770-D772 PolarHBondContact O-N 3.13Å
771D41.9Very low39.9Very low153 Ų153155.8 Ų155.882%0.81885%0.849SS**  trans-66.392.5173.7-74-53.1000110.9E769 D773E769-D771 PolarHBondContact O-N 3.14Å; D771-D773 VanDerWaalsContact C-N 3.3Å; D771-D773 PolarHBondContact O-N 3.12Å
772D38.5Very low39.8Very low172 Ų172160.9 Ų160.992%0.9286%0.86SS**  trans-77.278.5168.9-105.1-16.1000110.7E770E770-D772 PolarHBondContact O-N 3.13Å
773D45.4Very low39.7Very low153 Ų153165.2 Ų165.282%0.81887%0.87SS**  trans-99.785.4173.9-147.216.3000109.3D771D771-D773 VanDerWaalsContact C-N 3.3Å; D771-D773 PolarHBondContact O-N 3.12Å
774D47.9Very low39.6Very low164 Ų164164.8 Ų164.888%0.87787%0.868SS**  trans-170.2147.6156.2-106.9-26.6000115.4
775E37.9Very low39.9Very low270 Ų270169.9 Ų169.9100%1.26288%0.878SS**  trans59.40175.1-57.8-154.2139.700121.3

Retrieved 775 of 775 residues in 472.4 ms (Link to these results)

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