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Alpha-synuclein

Neuronal protein that plays several roles in synaptic activity such as regulation of synaptic vesicle trafficking and subsequent neurotransmitter release (By similarity). Participates as a monomer in synaptic vesicle exocytosis by enhancing vesicle priming, fusion and dilation of exocytotic fusion pores (By similarity). Mechanistically, acts by increasing local Ca(2+) release from microdomains which is essential for the enhancement of ATP-induced exocytosis (By similarity). Also acts as a molecular chaperone in its multimeric membrane-bound state, assisting in the folding of synaptic fusion components called SNAREs (Soluble NSF Attachment Protein REceptors) at presynaptic plasma membrane in conjunction with cysteine string protein-alpha/DNAJC5 (By similarity). This chaperone activity is important to sustain normal SNARE-complex assembly during aging (By similarity). Also plays a role in the regulation of the dopamine neurotransmission by associating with the dopamine transporter (DAT1) and thereby modulating its activity (By similarity).

AlphaFold DB (A0A0D9QW44), UniProt , Accession P61139, Species ERYPA (Erythrocebus patas, Red guenon), Gene SNCA, Length 140 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
1M86.6Confident89.1Confident189 Ų189116.9 Ų116.993%0.93162%0.622SS**  0-0.10-80.4178.5-18000113V3 F4 M5M1-V3 PolarHBondContact O-N 3.15Å; M1-F4 WeakPolarHBondContact O-CB 3.4Å; M1-F4 PolarHBondContact O-N 3.36Å; M1-F4 VanDerWaalsContact O-N 3.11Å; M1-M5 PolarHBondContact O-N 3.42Å; M1-M5 VanDerWaalsContact O-N 3.11Å
2D88.9Confident89.1Confident136 Ų136120 Ų12073%0.72763%0.626SS**Hα-helixtrans-65.2-35.8-168.8-53.3-28.9000114.4F4 M5 K6D2-F4 VanDerWaalsContact C-N 3.31Å; D2-F4 PolarHBondContact O-N 3.01Å; D2-M5 PolarHBondContact O-N 2.84Å; D2-K6 WeakPolarHBondContact O-CB 3.47Å; D2-K6 PolarHBondContact O-N 3.27Å
3V90.1Very high89.1Confident128 Ų128121 Ų12178%0.77663%0.626SS**Hα-helixtrans-65.3-36.9176.7-175.60000111.4M1 G7M1-V3 PolarHBondContact O-N 3.15Å; V3-G7 PolarHBondContact O-N 3.11Å
4F87Confident89.2Confident142 Ų142115.5 Ų115.562%0.62361%0.614SS**Hα-helixtrans-67.3-47.1175.9174.9-95.9000111.2M1 D2 K6 G7 L8M1-F4 WeakPolarHBondContact O-CB 3.4Å; M1-F4 PolarHBondContact O-N 3.36Å; M1-F4 VanDerWaalsContact O-N 3.11Å; D2-F4 VanDerWaalsContact C-N 3.31Å; D2-F4 PolarHBondContact O-N 3.01Å; F4-K6 VanDerWaalsContact C-N 3.31Å; F4-K6 PolarHBondContact O-N 3.37Å; F4-G7 PolarHBondContact O-N 3.08Å; F4-G7 VanDerWaalsContact O-N 3.13Å; F4-L8 PolarHBondContact O-N 3.43Å
5M91.1Very high89.4Confident105 Ų105114.7 Ų114.752%0.51761%0.614SS.*Hα-helixtrans-59.5-43.4176.2-70.8-64.7-175.800111.5M1 D2 G7 L8 S9M1-M5 PolarHBondContact O-N 3.42Å; M1-M5 VanDerWaalsContact O-N 3.11Å; D2-M5 PolarHBondContact O-N 2.84Å; M5-G7 VanDerWaalsContact C-N 3.35Å; M5-G7 PolarHBondContact O-N 2.98Å; M5-L8 PolarHBondContact O-N 3.42Å; M5-S9 PolarHBondContact O-N 3.09Å; M5-S9 PolarHBondContact O-OG 3.33Å; M5-S9 VanDerWaalsContact O-OG 3.1Å
6K91.4Very high89.5Confident164 Ų164112.4 Ų112.471%0.71361%0.606SS**Hα-helixtrans-62.7-40.8174.9-171.8174.1-1781740112.2D2 F4 K10D2-K6 WeakPolarHBondContact O-CB 3.47Å; D2-K6 PolarHBondContact O-N 3.27Å; F4-K6 VanDerWaalsContact C-N 3.31Å; F4-K6 PolarHBondContact O-N 3.37Å; K6-K10 WeakPolarHBondContact O-CB 3.36Å; K6-K10 PolarHBondContact O-N 2.71Å
7G89.8Confident89.4Confident40 Ų40109.1 Ų109.141%0.41260%0.598SS.*Hα-helixtrans-62.8-45175.800000112.6V3 F4 M5 K10 A11V3-G7 PolarHBondContact O-N 3.11Å; F4-G7 PolarHBondContact O-N 3.08Å; F4-G7 VanDerWaalsContact O-N 3.13Å; M5-G7 VanDerWaalsContact C-N 3.35Å; M5-G7 PolarHBondContact O-N 2.98Å; G7-K10 PolarHBondContact O-N 3.37Å; G7-A11 PolarHBondContact O-N 2.98Å
8L88.8Confident89.3Confident101 Ų101106.2 Ų106.253%0.52959%0.59SS.*Hα-helixtrans-63.1-45.2176.9-178.163.7000111.7F4 M5 K10 A11 K12F4-L8 PolarHBondContact O-N 3.43Å; M5-L8 PolarHBondContact O-N 3.42Å; L8-K10 VanDerWaalsContact C-N 3.34Å; L8-K10 PolarHBondContact O-N 2.91Å; L8-A11 PolarHBondContact O-N 3.41Å; L8-K12 PolarHBondContact O-N 2.95Å
9S88.1Confident89.3Confident64 Ų64103.6 Ų103.645%0.44858%0.584SS.*Hα-helixtrans-60.5-44176.4-64.50000111.7M5 A11 K12 E13M5-S9 PolarHBondContact O-N 3.09Å; M5-S9 PolarHBondContact O-OG 3.33Å; M5-S9 VanDerWaalsContact O-OG 3.1Å; S9-A11 VanDerWaalsContact C-N 3.34Å; S9-A11 PolarHBondContact O-N 3.24Å; S9-K12 WeakPolarHBondContact O-CB 3.33Å; S9-K12 PolarHBondContact O-N 3.45Å; S9-E13 WeakPolarHBondContact O-CG 3.4Å; S9-E13 PolarHBondContact O-N 3.44Å
10K89.4Confident89.1Confident159 Ų159104.8 Ų104.869%0.69158%0.584SS**Hα-helixtrans-63.7-38.9176.7-169.7175.2-177.1179.30112.5K6 G7 L8 G14K6-K10 WeakPolarHBondContact O-CB 3.36Å; K6-K10 PolarHBondContact O-N 2.71Å; G7-K10 PolarHBondContact O-N 3.37Å; L8-K10 VanDerWaalsContact C-N 3.34Å; L8-K10 PolarHBondContact O-N 2.91Å; K10-G14 PolarHBondContact O-N 3.25Å
11A89.1Confident89.2Confident58 Ų58107.8 Ų107.848%0.47959%0.591SS.*Hα-helixtrans-64.8-43.517500000111.5G7 L8 S9 E13 G14 V15G7-A11 PolarHBondContact O-N 2.98Å; L8-A11 PolarHBondContact O-N 3.41Å; S9-A11 VanDerWaalsContact C-N 3.34Å; S9-A11 PolarHBondContact O-N 3.24Å; A11-E13 PolarHBondContact O-N 2.85Å; A11-G14 PolarHBondContact O-N 3.21Å; A11-V15 WeakPolarHBondContact O-CG2 3.2Å; A11-V15 PolarHBondContact O-N 2.85Å
12K89.4Confident89.2Confident154 Ų154103 Ų10367%0.6757%0.573SS**Hα-helixtrans-58.9-47.4175.5-178.7-175.6174.9-1740111.5L8 S9 G14 V15 V16L8-K12 PolarHBondContact O-N 2.95Å; S9-K12 WeakPolarHBondContact O-CB 3.33Å; S9-K12 PolarHBondContact O-N 3.45Å; K12-G14 VanDerWaalsContact C-N 3.32Å; K12-G14 PolarHBondContact O-N 3.33Å; K12-V15 PolarHBondContact O-N 3.35Å; K12-V16 WeakPolarHBondContact O-CG2 3.42Å; K12-V16 PolarHBondContact O-N 2.98Å
13E88.8Confident89.2Confident133 Ų133104.5 Ų104.562%0.62157%0.573SS**Hα-helixtrans-58.4-43.6176.2-73.7170.6-175.400111.9S9 A11 V15 V16 A17S9-E13 WeakPolarHBondContact O-CG 3.4Å; S9-E13 PolarHBondContact O-N 3.44Å; A11-E13 PolarHBondContact O-N 2.85Å; E13-V15 PolarHBondContact O-N 3.02Å; E13-V16 PolarHBondContact O-N 3.45Å; E13-A17 WeakPolarHBondContact O-CB 3.42Å; E13-A17 PolarHBondContact O-N 2.95Å
14G90.1Very high89Confident44 Ų44103.9 Ų103.945%0.45456%0.562SS.*Hα-helixtrans-61.2-41.9176.700000113.3K10 A11 K12 A18K10-G14 PolarHBondContact O-N 3.25Å; A11-G14 PolarHBondContact O-N 3.21Å; K12-G14 VanDerWaalsContact C-N 3.32Å; K12-G14 PolarHBondContact O-N 3.33Å; G14-A18 WeakPolarHBondContact O-CB 3.36Å; G14-A18 PolarHBondContact O-N 3.21Å
15V93Very high88.9Confident103 Ų10398.9 Ų98.962%0.62455%0.551SS**Hα-helixtrans-65.3-44.7176.5172.90000111.2A11 K12 E13 A18 A19A11-V15 WeakPolarHBondContact O-CG2 3.2Å; A11-V15 PolarHBondContact O-N 2.85Å; K12-V15 PolarHBondContact O-N 3.35Å; E13-V15 PolarHBondContact O-N 3.02Å; V15-A18 PolarHBondContact O-N 2.97Å; V15-A19 WeakPolarHBondContact O-CB 3.4Å; V15-A19 PolarHBondContact O-N 3.41Å
16V90.8Very high88.6Confident78 Ų7898.5 Ų98.547%0.47355%0.554SS.*Hα-helixtrans-62.2-46.9178.1173.50000110.5K12 E13 A18 A19 E20K12-V16 WeakPolarHBondContact O-CG2 3.42Å; K12-V16 PolarHBondContact O-N 2.98Å; E13-V16 PolarHBondContact O-N 3.45Å; V16-A18 VanDerWaalsContact C-N 3.34Å; V16-A18 PolarHBondContact O-N 3.3Å; V16-A19 PolarHBondContact O-N 2.98Å; V16-E20 WeakPolarHBondContact O-CB 3.3Å; V16-E20 PolarHBondContact O-N 2.89Å
17A87.3Confident88.1Confident57 Ų5793.7 Ų93.747%0.47155%0.545SS..Hα-helixtrans-62.1-40.2178.600000112.5E13 E20 K21E13-A17 WeakPolarHBondContact O-CB 3.42Å; E13-A17 PolarHBondContact O-N 2.95Å; A17-E20 PolarHBondContact O-N 2.88Å; A17-K21 VanDerWaalsContact O-CB 3.31Å; A17-K21 WeakPolarHBondContact O-CB 3.31Å; A17-K21 PolarHBondContact O-N 3.49Å
18A88.6Confident87.7Confident56 Ų5696.2 Ų96.246%0.46355%0.546SS..Hα-helixtrans-66.2-42.9176.100000112.1G14 V15 V16 T22G14-A18 WeakPolarHBondContact O-CB 3.36Å; G14-A18 PolarHBondContact O-N 3.21Å; V15-A18 PolarHBondContact O-N 2.97Å; V16-A18 VanDerWaalsContact C-N 3.34Å; V16-A18 PolarHBondContact O-N 3.3Å; A18-T22 WeakPolarHBondContact O-CB 3.5Å; A18-T22 PolarHBondContact O-N 3.4Å; A18-T22 PolarHBondContact O-OG1 3.3Å
19A88.8Confident87.3Confident57 Ų5794 Ų9447%0.47154%0.542SS..Hα-helixtrans-63.7-41.9176.300000111.7V15 V16 T22 K23V15-A19 WeakPolarHBondContact O-CB 3.4Å; V15-A19 PolarHBondContact O-N 3.41Å; V16-A19 PolarHBondContact O-N 2.98Å; A19-T22 PolarHBondContact O-N 3.35Å; A19-K23 WeakPolarHBondContact O-CB 3.31Å; A19-K23 PolarHBondContact O-N 2.99Å
20E86.1Confident86.8Confident127 Ų12793.8 Ų93.859%0.59354%0.544SS*.Hα-helixtrans-67.4-45178.9-169.3162.8-159.700111.9V16 A17 T22 K23 Q24V16-E20 WeakPolarHBondContact O-CB 3.3Å; V16-E20 PolarHBondContact O-N 2.89Å; A17-E20 PolarHBondContact O-N 2.88Å; E20-T22 VanDerWaalsContact C-N 3.27Å; E20-T22 PolarHBondContact O-N 3.05Å; E20-K23 PolarHBondContact O-N 2.89Å; E20-Q24 WeakPolarHBondContact O-CB 3.43Å; E20-Q24 PolarHBondContact O-N 3.47Å
21K89.5Confident86.1Confident168 Ų16887.7 Ų87.773%0.7353%0.527SS*.Hα-helixtrans-59.2-38.8173.8-174.6168-176.6164.70112.1A17 G25A17-K21 VanDerWaalsContact O-CB 3.31Å; A17-K21 WeakPolarHBondContact O-CB 3.31Å; A17-K21 PolarHBondContact O-N 3.49Å; K21-G25 PolarHBondContact O-N 3.3Å
22T87.9Confident85.3Confident90 Ų9092.9 Ų92.955%0.55254%0.538SS*.Hα-helixtrans-67.6-46.7176.3-56.60000111.2A18 A19 E20 Q24 G25 V26A18-T22 WeakPolarHBondContact O-CB 3.5Å; A18-T22 PolarHBondContact O-N 3.4Å; A18-T22 PolarHBondContact O-OG1 3.3Å; A19-T22 PolarHBondContact O-N 3.35Å; E20-T22 VanDerWaalsContact C-N 3.27Å; E20-T22 PolarHBondContact O-N 3.05Å; T22-Q24 VanDerWaalsContact C-N 3.31Å; T22-Q24 PolarHBondContact O-N 3.41Å; T22-G25 PolarHBondContact O-N 2.9Å; T22-V26 HydrophobicContact CG2-CG2 4.45Å; T22-V26 VanDerWaalsContact O-CG2 3.31Å; T22-V26 WeakPolarHBondContact O-CG2 3.36Å; T22-V26 PolarHBondContact O-N 2.86Å
23K87.7Confident84.3Confident167 Ų16789.6 Ų89.673%0.72653%0.531SS*.Hα-helixtrans-59.1-43.7177.4-174.4-179.9178.1-175.40111.5A19 E20 A27A19-K23 WeakPolarHBondContact O-CB 3.31Å; A19-K23 PolarHBondContact O-N 2.99Å; E20-K23 PolarHBondContact O-N 2.89Å; K23-A27 VanDerWaalsContact O-CB 3.3Å; K23-A27 WeakPolarHBondContact O-CB 3.25Å; K23-A27 PolarHBondContact O-N 3.38Å
24Q86.3Confident82.9Confident114 Ų11490 Ų9053%0.53353%0.531SS..Hα-helixtrans-65.2-46.5177.6-171.1178-7.500111.6E20 T22 V26 A27 E28E20-Q24 WeakPolarHBondContact O-CB 3.43Å; E20-Q24 PolarHBondContact O-N 3.47Å; T22-Q24 VanDerWaalsContact C-N 3.31Å; T22-Q24 PolarHBondContact O-N 3.41Å; Q24-V26 VanDerWaalsContact C-N 3.35Å; Q24-V26 PolarHBondContact O-N 3.5Å; Q24-A27 PolarHBondContact O-N 2.79Å; Q24-E28 HydrophobicContact CG-CG 4.4Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.44Å; Q24-E28 PolarHBondContact NE2-OE1 3.26Å; Q24-E28 WeakPolarHBondContact O-CB 3.36Å; Q24-E28 WeakPolarHBondContact O-CG 3.35Å; Q24-E28 PolarHBondContact O-N 2.94Å
25G84.7Confident81.3Confident38 Ų3897 Ų9739%0.39255%0.552SS.*Hα-helixtrans-61.1-41.1178.200000113.2K21 T22 A29K21-G25 PolarHBondContact O-N 3.3Å; T22-G25 PolarHBondContact O-N 2.9Å; G25-A29 WeakPolarHBondContact O-CB 3.43Å; G25-A29 PolarHBondContact O-N 3.33Å
26V85.2Confident79.5Confident97 Ų9795 Ų9559%0.58855%0.552SS**Hα-helixtrans-66.5-43.4175.71740000111.1T22 Q24 A29 A30T22-V26 HydrophobicContact CG2-CG2 4.45Å; T22-V26 VanDerWaalsContact O-CG2 3.31Å; T22-V26 WeakPolarHBondContact O-CG2 3.36Å; T22-V26 PolarHBondContact O-N 2.86Å; Q24-V26 VanDerWaalsContact C-N 3.35Å; Q24-V26 PolarHBondContact O-N 3.5Å; V26-A29 PolarHBondContact O-N 3.44Å; V26-A30 WeakPolarHBondContact O-CB 3.25Å; V26-A30 PolarHBondContact O-N 3.18Å
27A82.1Confident77.8Confident63 Ų6395.5 Ų95.552%0.52156%0.555SS.*Hα-helixtrans-65.6-40.8178.500000112.4K23 Q24 G31K23-A27 VanDerWaalsContact O-CB 3.3Å; K23-A27 WeakPolarHBondContact O-CB 3.25Å; K23-A27 PolarHBondContact O-N 3.38Å; Q24-A27 PolarHBondContact O-N 2.79Å; A27-G31 PolarHBondContact O-N 3.25Å
28E81.4Confident76.4Confident93 Ų9399.7 Ų99.744%0.43557%0.568SS.*Hα-helixtrans-66.6-41.9176-75.8-179.5-163.500111.9Q24 G31 K32Q24-E28 HydrophobicContact CG-CG 4.4Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.44Å; Q24-E28 PolarHBondContact NE2-OE1 3.26Å; Q24-E28 WeakPolarHBondContact O-CB 3.36Å; Q24-E28 WeakPolarHBondContact O-CG 3.35Å; Q24-E28 PolarHBondContact O-N 2.94Å; E28-G31 PolarHBondContact O-N 2.74Å; E28-K32 WeakPolarHBondContact O-CB 3.42Å; E28-K32 WeakPolarHBondContact O-CG 3.13Å; E28-K32 PolarHBondContact O-N 3.06Å
29A79.3Confident74.8Confident54 Ų54107.6 Ų107.645%0.44659%0.588SS.*Hα-helixtrans-62.9-45.617500000111.7G25 V26 G31 K32 T33G25-A29 WeakPolarHBondContact O-CB 3.43Å; G25-A29 PolarHBondContact O-N 3.33Å; V26-A29 PolarHBondContact O-N 3.44Å; A29-G31 VanDerWaalsContact C-N 3.3Å; A29-G31 PolarHBondContact O-N 3.46Å; A29-K32 PolarHBondContact O-N 3.23Å; A29-T33 PolarHBondContact O-N 3.39Å; A29-T33 VanDerWaalsContact O-N 3.09Å; A29-T33 PolarHBondContact O-OG1 3.04Å
30A77.4Confident73.4Confident60 Ų60109 Ų10950%0.49659%0.591SS.*Hα-helixtrans-61.9-39174.300000111.8V26 T33 K34V26-A30 WeakPolarHBondContact O-CB 3.25Å; V26-A30 PolarHBondContact O-N 3.18Å; A30-T33 PolarHBondContact O-N 3.43Å; A30-K34 PolarHBondContact O-N 3.02Å
31G74.1Confident72.1Confident31 Ų31104.7 Ų104.732%0.3258%0.58SS.*Hα-helixtrans-64.6-46.1176.300000113.5A27 E28 A29 T33 K34A27-G31 PolarHBondContact O-N 3.25Å; E28-G31 PolarHBondContact O-N 2.74Å; A29-G31 VanDerWaalsContact C-N 3.3Å; A29-G31 PolarHBondContact O-N 3.46Å; G31-T33 PolarHBondContact O-N 3.5Å; G31-K34 WeakPolarHBondContact O-CB 3.3Å; G31-K34 WeakPolarHBondContact O-CG 3.42Å; G31-K34 PolarHBondContact O-N 3.26Å; G31-K34 VanDerWaalsContact O-N 3.11Å
32K72.2Confident70.7Confident167 Ų167101.6 Ų101.673%0.72658%0.579SS**Hα-helixtrans-65.8-24.3176.1-73.6178.4179.9175.30112.7E28 A29 K34E28-K32 WeakPolarHBondContact O-CB 3.42Å; E28-K32 WeakPolarHBondContact O-CG 3.13Å; E28-K32 PolarHBondContact O-N 3.06Å; A29-K32 PolarHBondContact O-N 3.23Å; K32-K34 VanDerWaalsContact C-N 3.34Å
33T68.4Low69.3Low85 Ų85106.7 Ų106.752%0.52159%0.594SS.*THydrogen-bonded Turntrans-85.3-4.2175.9-42.90000112.9A29 A30 G31 E35 G36A29-T33 PolarHBondContact O-N 3.39Å; A29-T33 VanDerWaalsContact O-N 3.09Å; A29-T33 PolarHBondContact O-OG1 3.04Å; A30-T33 PolarHBondContact O-N 3.43Å; G31-T33 PolarHBondContact O-N 3.5Å; T33-E35 PolarHBondContact O-N 3.44Å; T33-E35 VanDerWaalsContact O-N 3.15Å; T33-G36 PolarHBondContact O-N 2.97Å
34K61Low68.1Low141 Ų141102.2 Ų102.261%0.61358%0.581SS**Hα-helixtrans-60-23.6177.4-75.8178.7176.5176.60113.5A30 G31 K32 G36A30-K34 PolarHBondContact O-N 3.02Å; G31-K34 WeakPolarHBondContact O-CB 3.3Å; G31-K34 WeakPolarHBondContact O-CG 3.42Å; G31-K34 PolarHBondContact O-N 3.26Å; G31-K34 VanDerWaalsContact O-N 3.11Å; K32-K34 VanDerWaalsContact C-N 3.34Å; K34-G36 VanDerWaalsContact C-N 3.25Å; K34-G36 PolarHBondContact O-N 3.26Å
35E56.1Low67.1Low192 Ų192104.2 Ų104.290%0.89759%0.588SS**Hα-helixtrans-69.3-23.5176.2-133.8170.4-171.400112.5T33T33-E35 PolarHBondContact O-N 3.44Å; T33-E35 VanDerWaalsContact O-N 3.15Å
36G55.9Low66.1Low61 Ų61110.4 Ų110.463%0.62961%0.606SS**Hα-helixtrans-90-17.9-179.700000116.3T33 K34T33-G36 PolarHBondContact O-N 2.97Å; K34-G36 VanDerWaalsContact C-N 3.25Å; K34-G36 PolarHBondContact O-N 3.26Å
37V53.9Low65.2Low87 Ų87108.3 Ų108.353%0.52760%0.604SS.*Hα-helixtrans-119.4-13.9-164.8-1730000114.5Y39 V40 G41V37-Y39 PolarHBondContact O-N 3.01Å; V37-V40 PolarHBondContact O-N 3.47Å; V37-V40 VanDerWaalsContact O-N 3.08Å; V37-G41 PolarHBondContact O-N 3.46Å
38L57.5Low64.8Low145 Ų145109 Ų10976%0.75960%0.602SS**THydrogen-bonded Turntrans-56.2-21.8177.6-109.6150.8000113.4
39Y55.5Low64.3Low222 Ų222109.4 Ų109.487%0.87161%0.611SS**THydrogen-bonded Turntrans-79.7-22.5179.1-169.3-107.9000115V37V37-Y39 PolarHBondContact O-N 3.01Å
40V58.4Low64Low88 Ų88113.9 Ų113.953%0.53362%0.622SS.*THydrogen-bonded Turntrans-108.3-23.9-174.8-174.20000112.9V37 S42 K43 T44V37-V40 PolarHBondContact O-N 3.47Å; V37-V40 VanDerWaalsContact O-N 3.08Å; V40-S42 VanDerWaalsContact C-N 3.35Å; V40-S42 PolarHBondContact O-N 2.94Å; V40-K43 PolarHBondContact O-N 3.24Å; V40-T44 PolarHBondContact O-OG1 3.25Å
41G59.8Low64Low36 Ų36112.6 Ų112.637%0.37162%0.615SS.*Hα-helixtrans-65.9-23.5-171.200000116.6V37 K45V37-G41 PolarHBondContact O-N 3.46Å; G41-K45 WeakPolarHBondContact O-CB 3.4Å; G41-K45 PolarHBondContact O-N 2.92Å
42S59.1Low64.1Low102 Ų102115.2 Ų115.271%0.71362%0.624SS**Hα-helixtrans-70.4-31.6-178.8-59.80000113.3V40V40-S42 VanDerWaalsContact C-N 3.35Å; V40-S42 PolarHBondContact O-N 2.94Å
43K59.5Low64.3Low197 Ų197110 Ų11086%0.85761%0.612SS**Hα-helixtrans-82.3-27.5176.8-81.9-160.3175.7-172.30113.7V40V40-K43 PolarHBondContact O-N 3.24Å
44T62.6Low64.8Low74 Ų74109.1 Ų109.145%0.45461%0.607SS.*Hα-helixtrans-86.5-16.2-178.7-380000112.3V40 E46 G47 V48V40-T44 PolarHBondContact O-OG1 3.25Å; T44-E46 PolarHBondContact O-N 2.98Å; T44-G47 PolarHBondContact O-N 2.77Å; T44-V48 HydrophobicContact CG2-CG2 3.92Å; T44-V48 WeakPolarHBondContact O-CB 3.37Å; T44-V48 VanDerWaalsContact O-CG2 3.25Å; T44-V48 WeakPolarHBondContact O-CG2 3.46Å; T44-V48 PolarHBondContact O-N 2.85Å
45K64.4Low65.8Low155 Ų155106.5 Ų106.567%0.67460%0.603SS**Hα-helixtrans-58.4-44.6-177.1-138.5177.5-176-179.30113G41 V48 V49G41-K45 WeakPolarHBondContact O-CB 3.4Å; G41-K45 PolarHBondContact O-N 2.92Å; K45-V48 PolarHBondContact O-N 3.48Å; K45-V49 VanDerWaalsContact O-CG2 3.25Å; K45-V49 WeakPolarHBondContact O-CG2 3.33Å; K45-V49 PolarHBondContact O-N 3.31Å
46E64Low66.8Low168 Ų168100 Ų10079%0.78558%0.582SS**Hα-helixtrans-68.7-41.6178.6-73.2-178.1161.400112.3T44 V48 V49 H50T44-E46 PolarHBondContact O-N 2.98Å; E46-V48 VanDerWaalsContact C-N 3.34Å; E46-V48 PolarHBondContact O-N 3.32Å; E46-V49 PolarHBondContact O-N 3.19Å; E46-H50 PolarHBondContact O-N 3.42Å
47G67.2Low68Low53 Ų53104 Ų10455%0.54658%0.584SS.*Hα-helixtrans-65.8-35.217600000113.3T44 G51T44-G47 PolarHBondContact O-N 2.77Å; G47-G51 PolarHBondContact O-N 3.37Å
48V72.3Confident69.4Low77 Ų77106.4 Ų106.447%0.46759%0.588SS.*Hα-helixtrans-70.4-39.3175.3170.50000111.2T44 K45 E46 H50 G51 V52T44-V48 HydrophobicContact CG2-CG2 3.92Å; T44-V48 WeakPolarHBondContact O-CB 3.37Å; T44-V48 VanDerWaalsContact O-CG2 3.25Å; T44-V48 WeakPolarHBondContact O-CG2 3.46Å; T44-V48 PolarHBondContact O-N 2.85Å; K45-V48 PolarHBondContact O-N 3.48Å; E46-V48 VanDerWaalsContact C-N 3.34Å; E46-V48 PolarHBondContact O-N 3.32Å; V48-H50 VanDerWaalsContact C-N 3.3Å; V48-H50 PolarHBondContact O-N 3.38Å; V48-G51 CarbonylContact O-C 3.59Å; V48-G51 PolarHBondContact O-N 3.42Å; V48-V52 HydrophobicContact CG1-CG2 3.77Å; V48-V52 VanDerWaalsContact O-CB 3.3Å; V48-V52 WeakPolarHBondContact O-CB 3.18Å; V48-V52 WeakPolarHBondContact O-CG2 3.2Å; V48-V52 PolarHBondContact O-N 3.3Å
49V72Confident70.6Confident103 Ų103102.5 Ų102.562%0.62457%0.57SS**Hα-helixtrans-60.5-42.5177.9169.60000111.1K45 E46 V52 A53K45-V49 VanDerWaalsContact O-CG2 3.25Å; K45-V49 WeakPolarHBondContact O-CG2 3.33Å; K45-V49 PolarHBondContact O-N 3.31Å; E46-V49 PolarHBondContact O-N 3.19Å; V49-V52 PolarHBondContact O-N 3.45Å; V49-A53 PolarHBondContact O-N 3.21Å
50H72.4Confident71.9Confident147 Ų14799.4 Ų99.468%0.68156%0.561SS**Hα-helixtrans-67.8-42.8176-151.479.4000111.9E46 V48 V52 A53 T54E46-H50 PolarHBondContact O-N 3.42Å; V48-H50 VanDerWaalsContact C-N 3.3Å; V48-H50 PolarHBondContact O-N 3.38Å; H50-V52 VanDerWaalsContact C-N 3.34Å; H50-V52 PolarHBondContact O-N 3.38Å; H50-A53 PolarHBondContact O-N 2.89Å; H50-T54 PolarHBondContact O-N 3.37Å; H50-T54 PolarHBondContact O-OG1 2.87Å
51G76.9Confident72.9Confident34 Ų34101.8 Ų101.835%0.35157%0.566SS.*Hα-helixtrans-63-36.8175.100000113.5G47 V48 T54 V55G47-G51 PolarHBondContact O-N 3.37Å; V48-G51 CarbonylContact O-C 3.59Å; V48-G51 PolarHBondContact O-N 3.42Å; G51-T54 PolarHBondContact O-N 2.89Å; G51-V55 WeakPolarHBondContact O-CB 3.49Å; G51-V55 WeakPolarHBondContact O-CG2 3.32Å; G51-V55 PolarHBondContact O-N 3.48Å
52V77.8Confident73.7Confident85 Ų85106.2 Ų106.252%0.51558%0.577SS.*Hα-helixtrans-68.2-35.7178.1168.70000111.1V48 V49 H50 V55 A56V48-V52 HydrophobicContact CG1-CG2 3.77Å; V48-V52 VanDerWaalsContact O-CB 3.3Å; V48-V52 WeakPolarHBondContact O-CB 3.18Å; V48-V52 WeakPolarHBondContact O-CG2 3.2Å; V48-V52 PolarHBondContact O-N 3.3Å; V49-V52 PolarHBondContact O-N 3.45Å; H50-V52 VanDerWaalsContact C-N 3.34Å; H50-V52 PolarHBondContact O-N 3.38Å; V52-V55 PolarHBondContact O-N 3.13Å; V52-A56 WeakPolarHBondContact O-CB 3.35Å; V52-A56 PolarHBondContact O-N 3.1Å
53A76.4Confident74.6Confident57 Ų57105.8 Ų105.847%0.47157%0.57SS.*Hα-helixtrans-62.3-47.8173.500000111.5V49 H50 V55 A56 E57V49-A53 PolarHBondContact O-N 3.21Å; H50-A53 PolarHBondContact O-N 2.89Å; A53-V55 PolarHBondContact O-N 3.41Å; A53-A56 WeakPolarHBondContact O-CB 3.2Å; A53-A56 PolarHBondContact O-N 2.9Å; A53-E57 PolarHBondContact O-N 2.96Å
54T77.9Confident75.7Confident67 Ų67100.9 Ų100.941%0.41156%0.557SS.*Hα-helixtrans-64.6-39.1176-51.30000112.4H50 G51 A56 K58H50-T54 PolarHBondContact O-N 3.37Å; H50-T54 PolarHBondContact O-OG1 2.87Å; G51-T54 PolarHBondContact O-N 2.89Å; T54-A56 VanDerWaalsContact C-N 3.34Å; T54-K58 PolarHBondContact O-N 2.62Å
55V83Confident76.6Confident87 Ų87103 Ų10353%0.52757%0.566SS.*Hα-helixtrans-68.4-35.2176170.50000110.8G51 V52 A53 K58 T59G51-V55 WeakPolarHBondContact O-CB 3.49Å; G51-V55 WeakPolarHBondContact O-CG2 3.32Å; G51-V55 PolarHBondContact O-N 3.48Å; V52-V55 PolarHBondContact O-N 3.13Å; A53-V55 PolarHBondContact O-N 3.41Å; V55-K58 PolarHBondContact O-N 3.23Å; V55-T59 WeakPolarHBondContact O-CA 3.14Å; V55-T59 WeakPolarHBondContact O-CB 3.48Å; V55-T59 PolarHBondContact O-N 3.43Å; V55-T59 PolarHBondContact O-OG1 3.17Å
56A76.9Confident77.7Confident55 Ų55100 Ų10046%0.45556%0.56SS.*Hα-helixtrans-63.6-42.2177.300000111.7V52 A53 T54 T59 K60V52-A56 WeakPolarHBondContact O-CB 3.35Å; V52-A56 PolarHBondContact O-N 3.1Å; A53-A56 WeakPolarHBondContact O-CB 3.2Å; A53-A56 PolarHBondContact O-N 2.9Å; T54-A56 VanDerWaalsContact C-N 3.34Å; A56-T59 PolarHBondContact O-N 2.75Å; A56-K60 PolarHBondContact O-N 3.3Å
57E80.2Confident78.6Confident146 Ų14693.6 Ų93.668%0.68254%0.539SS*.Hα-helixtrans-62.5-49.6173.9-71.8-172.9160.200111.8A53 T59 K60 E61A53-E57 PolarHBondContact O-N 2.96Å; E57-T59 VanDerWaalsContact C-N 3.27Å; E57-T59 PolarHBondContact O-N 3.34Å; E57-K60 WeakPolarHBondContact O-CB 3.36Å; E57-K60 PolarHBondContact O-N 3.31Å; E57-K60 VanDerWaalsContact O-N 3.14Å; E57-E61 PolarHBondContact O-N 3.14Å
58K84Confident79.6Confident136 Ų13692.8 Ų92.859%0.59153%0.53SS*.Hα-helixtrans-61.7-35.3175.3-70.1-171.6177.5-169.60112.9T54 V55 E61 Q62T54-K58 PolarHBondContact O-N 2.62Å; V55-K58 PolarHBondContact O-N 3.23Å; K58-E61 PolarHBondContact O-N 3.11Å; K58-Q62 WeakPolarHBondContact O-CG 3.26Å; K58-Q62 PolarHBondContact O-N 3.26Å
59T81.8Confident80.2Confident63 Ų6392.3 Ų92.339%0.38754%0.535SS..Hα-helixtrans-68-37.7177.1-60.70000110.4V55 A56 E57 E61 Q62 V63V55-T59 WeakPolarHBondContact O-CA 3.14Å; V55-T59 WeakPolarHBondContact O-CB 3.48Å; V55-T59 PolarHBondContact O-N 3.43Å; V55-T59 PolarHBondContact O-OG1 3.17Å; A56-T59 PolarHBondContact O-N 2.75Å; E57-T59 VanDerWaalsContact C-N 3.27Å; E57-T59 PolarHBondContact O-N 3.34Å; T59-E61 VanDerWaalsContact C-N 3.32Å; T59-E61 PolarHBondContact O-N 3.33Å; T59-Q62 PolarHBondContact O-N 2.73Å; T59-V63 HydrophobicContact CG2-CG2 3.95Å; T59-V63 WeakPolarHBondContact O-CB 3.39Å; T59-V63 WeakPolarHBondContact O-CG2 3.49Å; T59-V63 PolarHBondContact O-N 3.39Å
60K82.5Confident81Confident157 Ų15791.5 Ų91.568%0.68353%0.53SS*.Hα-helixtrans-60.8-41.6176.1-173179.9178.6-177.50112A56 E57 T64A56-K60 PolarHBondContact O-N 3.3Å; E57-K60 WeakPolarHBondContact O-CB 3.36Å; E57-K60 PolarHBondContact O-N 3.31Å; E57-K60 VanDerWaalsContact O-N 3.14Å; K60-T64 PolarHBondContact O-N 2.8Å; K60-T64 PolarHBondContact O-OG1 3.27Å
61E79.6Confident81.6Confident138 Ų13889 Ų8965%0.64552%0.524SS*.Hα-helixtrans-65.5-44.7174.1-68.3-178.9171.500111.5E57 K58 T59 V63 T64 N65E57-E61 PolarHBondContact O-N 3.14Å; K58-E61 PolarHBondContact O-N 3.11Å; T59-E61 VanDerWaalsContact C-N 3.32Å; T59-E61 PolarHBondContact O-N 3.33Å; E61-V63 PolarHBondContact O-N 3.48Å; E61-T64 WeakPolarHBondContact O-CB 3.42Å; E61-T64 PolarHBondContact O-N 3.43Å; E61-N65 PolarHBondContact O-N 3.11Å
62Q77.1Confident82.2Confident130 Ų13091.9 Ų91.961%0.60754%0.536SS*.Hα-helixtrans-64.1-40176-73-16711.200113.1K58 T59 T64 N65 V66K58-Q62 WeakPolarHBondContact O-CG 3.26Å; K58-Q62 PolarHBondContact O-N 3.26Å; T59-Q62 PolarHBondContact O-N 2.73Å; Q62-T64 VanDerWaalsContact C-N 3.28Å; Q62-T64 PolarHBondContact O-N 3.05Å; Q62-N65 PolarHBondContact O-N 2.78Å; Q62-V66 WeakPolarHBondContact O-CB 3.29Å; Q62-V66 VanDerWaalsContact O-CG2 3.26Å; Q62-V66 WeakPolarHBondContact O-CG2 3.45Å; Q62-V66 PolarHBondContact O-N 3.48Å
63V78.5Confident82.7Confident92 Ų9289.5 Ų89.556%0.55853%0.528SS*.Hα-helixtrans-64.3-36.7177168.80000110.5T59 E61 V66 G67T59-V63 HydrophobicContact CG2-CG2 3.95Å; T59-V63 WeakPolarHBondContact O-CB 3.39Å; T59-V63 WeakPolarHBondContact O-CG2 3.49Å; T59-V63 PolarHBondContact O-N 3.39Å; E61-V63 PolarHBondContact O-N 3.48Å; V63-V66 PolarHBondContact O-N 3.18Å; V63-G67 PolarHBondContact O-N 3.05Å
64T81.9Confident83.3Confident95 Ų9591.2 Ų91.258%0.58353%0.533SS*.Hα-helixtrans-62.5-45.6172.8-55.10000111.1K60 E61 Q62 G67 G68K60-T64 PolarHBondContact O-N 2.8Å; K60-T64 PolarHBondContact O-OG1 3.27Å; E61-T64 WeakPolarHBondContact O-CB 3.42Å; E61-T64 PolarHBondContact O-N 3.43Å; Q62-T64 VanDerWaalsContact C-N 3.28Å; Q62-T64 PolarHBondContact O-N 3.05Å; T64-G67 PolarHBondContact O-N 3.05Å; T64-G68 PolarHBondContact O-N 3.45Å
65N82.1Confident83.8Confident119 Ų11991.3 Ų91.364%0.63653%0.533SS*.Hα-helixtrans-65.1-42.3177.5-69.2-21.2000112.6E61 Q62 G67 G68 A69E61-N65 PolarHBondContact O-N 3.11Å; Q62-N65 PolarHBondContact O-N 2.78Å; N65-G67 VanDerWaalsContact C-N 3.32Å; N65-G68 PolarHBondContact O-N 2.84Å; N65-A69 PolarHBondContact O-N 3.01Å
66V86.8Confident84.1Confident90 Ų9089.6 Ų89.655%0.54553%0.528SS..Hα-helixtrans-64-40.2174.2172.30000110.2Q62 V63 G68 A69 V70Q62-V66 WeakPolarHBondContact O-CB 3.29Å; Q62-V66 VanDerWaalsContact O-CG2 3.26Å; Q62-V66 WeakPolarHBondContact O-CG2 3.45Å; Q62-V66 PolarHBondContact O-N 3.48Å; V63-V66 PolarHBondContact O-N 3.18Å; V66-G68 VanDerWaalsContact C-N 3.34Å; V66-G68 PolarHBondContact O-N 2.86Å; V66-A69 PolarHBondContact O-N 3.23Å; V66-V70 HydrophobicContact CG1-CG2 4.26Å; V66-V70 VanDerWaalsContact O-CG2 3.29Å; V66-V70 WeakPolarHBondContact O-CG2 3.32Å; V66-V70 PolarHBondContact O-N 3.41Å
67G84.1Confident84.8Confident34 Ų3491.5 Ų91.535%0.35153%0.534SS..Hα-helixtrans-58-46.7174.200000111.7V63 T64 N65 V70 V71V63-G67 PolarHBondContact O-N 3.05Å; T64-G67 PolarHBondContact O-N 3.05Å; N65-G67 VanDerWaalsContact C-N 3.32Å; G67-V70 PolarHBondContact O-N 3.37Å; G67-V71 WeakPolarHBondContact O-CG2 3.45Å; G67-V71 PolarHBondContact O-N 2.95Å
68G86.4Confident85.1Confident36 Ų3687 Ų8737%0.37152%0.522SS..Hα-helixtrans-57.8-48.5172.600000112.4T64 N65 V66 V70 V71 T72T64-G68 PolarHBondContact O-N 3.45Å; N65-G68 PolarHBondContact O-N 2.84Å; V66-G68 VanDerWaalsContact C-N 3.34Å; V66-G68 PolarHBondContact O-N 2.86Å; G68-V70 VanDerWaalsContact C-N 3.35Å; G68-V70 PolarHBondContact O-N 2.84Å; G68-V71 PolarHBondContact O-N 3.05Å; G68-T72 PolarHBondContact O-N 3.37Å; G68-T72 PolarHBondContact O-OG1 3.23Å; G68-T72 VanDerWaalsContact O-OG1 3.05Å
69A85.6Confident85.3Confident67 Ų6786.1 Ų86.155%0.55452%0.519SS*.Hα-helixtrans-62.1-39179.300000113.1N65 V66 G73N65-A69 PolarHBondContact O-N 3.01Å; V66-A69 PolarHBondContact O-N 3.23Å; A69-G73 PolarHBondContact O-N 3.5Å
70V89.3Confident85.8Confident86 Ų8690.7 Ų90.752%0.52153%0.534SS..Hα-helixtrans-64.7-46.2175.4171.40000110.3V66 G67 G68 T72 G73 V74V66-V70 HydrophobicContact CG1-CG2 4.26Å; V66-V70 VanDerWaalsContact O-CG2 3.29Å; V66-V70 WeakPolarHBondContact O-CG2 3.32Å; V66-V70 PolarHBondContact O-N 3.41Å; G67-V70 PolarHBondContact O-N 3.37Å; G68-V70 VanDerWaalsContact C-N 3.35Å; G68-V70 PolarHBondContact O-N 2.84Å; V70-T72 PolarHBondContact O-N 2.85Å; V70-G73 PolarHBondContact O-N 3.2Å; V70-V74 HydrophobicContact CG1-CG2 4.34Å; V70-V74 VanDerWaalsContact O-CG2 3.32Å; V70-V74 WeakPolarHBondContact O-CG2 3.33Å; V70-V74 PolarHBondContact O-N 2.95Å
71V85.6Confident86.1Confident94 Ų9487.5 Ų87.557%0.5753%0.528SS*.Hα-helixtrans-61.1-46.7177.5172.50000110.9G67 G68 G73 V74 T75G67-V71 WeakPolarHBondContact O-CG2 3.45Å; G67-V71 PolarHBondContact O-N 2.95Å; G68-V71 PolarHBondContact O-N 3.05Å; V71-G73 VanDerWaalsContact C-N 3.32Å; V71-G73 PolarHBondContact O-N 3.47Å; V71-V74 PolarHBondContact O-N 3.45Å; V71-T75 WeakPolarHBondContact O-CB 3.27Å; V71-T75 PolarHBondContact O-N 3.45Å; V71-T75 PolarHBondContact O-OG1 2.89Å
72T88.6Confident86.6Confident96 Ų9686 Ų8659%0.58953%0.528SS*.Hα-helixtrans-60.8-42.3175.8-55.50000111.6G68 V70 T75 A76G68-T72 PolarHBondContact O-N 3.37Å; G68-T72 PolarHBondContact O-OG1 3.23Å; G68-T72 VanDerWaalsContact O-OG1 3.05Å; V70-T72 PolarHBondContact O-N 2.85Å; T72-T75 PolarHBondContact O-N 3.25Å; T72-A76 VanDerWaalsContact O-CB 3.27Å; T72-A76 WeakPolarHBondContact O-CB 3.27Å; T72-A76 PolarHBondContact O-N 2.66Å
73G89.1Confident87.2Confident34 Ų3486.3 Ų86.335%0.35153%0.53SS..Hα-helixtrans-61.8-47.5177.100000112.5A69 V70 V71 A76 V77A69-G73 PolarHBondContact O-N 3.5Å; V70-G73 PolarHBondContact O-N 3.2Å; V71-G73 VanDerWaalsContact C-N 3.32Å; V71-G73 PolarHBondContact O-N 3.47Å; G73-A76 PolarHBondContact O-N 3.31Å; G73-V77 WeakPolarHBondContact O-CB 3.4Å; G73-V77 VanDerWaalsContact O-CG2 3.24Å; G73-V77 WeakPolarHBondContact O-CG2 3.36Å; G73-V77 PolarHBondContact O-N 2.88Å
74V88.9Confident87.7Confident94 Ų9483.3 Ų83.357%0.5752%0.517SS*.Hα-helixtrans-62.2-46.1178172.50000110.8V70 V71 A76 V77 A78V70-V74 HydrophobicContact CG1-CG2 4.34Å; V70-V74 VanDerWaalsContact O-CG2 3.32Å; V70-V74 WeakPolarHBondContact O-CG2 3.33Å; V70-V74 PolarHBondContact O-N 2.95Å; V71-V74 PolarHBondContact O-N 3.45Å; V74-A76 PolarHBondContact O-N 2.94Å; V74-V77 PolarHBondContact O-N 3.5Å; V74-A78 WeakPolarHBondContact O-CB 3.49Å; V74-A78 PolarHBondContact O-N 3.39Å
75T87.6Confident88Confident69 Ų6981.5 Ų81.542%0.42351%0.511SS..Hα-helixtrans-61-46.6177.7-60.90000111.5V71 T72 V77 A78 Q79V71-T75 WeakPolarHBondContact O-CB 3.27Å; V71-T75 PolarHBondContact O-N 3.45Å; V71-T75 PolarHBondContact O-OG1 2.89Å; T72-T75 PolarHBondContact O-N 3.25Å; T75-V77 PolarHBondContact O-N 3.46Å; T75-A78 PolarHBondContact O-N 3.29Å; T75-Q79 HydrophobicContact CG2-CG 4.49Å; T75-Q79 WeakPolarHBondContact O-CB 3.24Å; T75-Q79 WeakPolarHBondContact O-CG 3.44Å; T75-Q79 PolarHBondContact O-N 3.27Å
76A89.2Confident88.2Confident50 Ų5077.8 Ų77.841%0.41350%0.501SS..Hα-helixtrans-63.4-40.8178.800000112.2T72 G73 V74 K80T72-A76 VanDerWaalsContact O-CB 3.27Å; T72-A76 WeakPolarHBondContact O-CB 3.27Å; T72-A76 PolarHBondContact O-N 2.66Å; G73-A76 PolarHBondContact O-N 3.31Å; V74-A76 PolarHBondContact O-N 2.94Å; A76-K80 WeakPolarHBondContact O-CB 3.45Å; A76-K80 PolarHBondContact O-N 2.9Å
77V91.3Very high88.4Confident95 Ų9577.3 Ų77.358%0.57650%0.502SS*.Hα-helixtrans-64.9-44175.9170.40000110.7G73 V74 T75 K80 T81G73-V77 WeakPolarHBondContact O-CB 3.4Å; G73-V77 VanDerWaalsContact O-CG2 3.24Å; G73-V77 WeakPolarHBondContact O-CG2 3.36Å; G73-V77 PolarHBondContact O-N 2.88Å; V74-V77 PolarHBondContact O-N 3.5Å; T75-V77 PolarHBondContact O-N 3.46Å; V77-K80 PolarHBondContact O-N 3.35Å; V77-T81 VanDerWaalsContact O-CB 3.27Å; V77-T81 WeakPolarHBondContact O-CB 3.31Å; V77-T81 PolarHBondContact O-N 2.91Å; V77-T81 PolarHBondContact O-OG1 2.96Å
78A87.5Confident88.5Confident52 Ų5281 Ų8143%0.4351%0.513SS..Hα-helixtrans-61.7-49.6178.300000111.6V74 T75 K80 T81 V82V74-A78 WeakPolarHBondContact O-CB 3.49Å; V74-A78 PolarHBondContact O-N 3.39Å; T75-A78 PolarHBondContact O-N 3.29Å; A78-K80 PolarHBondContact O-N 2.94Å; A78-T81 PolarHBondContact O-N 3.5Å; A78-V82 WeakPolarHBondContact O-CG2 3.36Å; A78-V82 PolarHBondContact O-N 3.43Å
79Q87.9Confident88.5Confident117 Ų11780.7 Ų80.755%0.54751%0.506SS..Hα-helixtrans-58.1-51.4177.2-72.9177.2-43.300111.4T75 T81 V82 E83T75-Q79 HydrophobicContact CG2-CG 4.49Å; T75-Q79 WeakPolarHBondContact O-CB 3.24Å; T75-Q79 WeakPolarHBondContact O-CG 3.44Å; T75-Q79 PolarHBondContact O-N 3.27Å; Q79-T81 VanDerWaalsContact C-N 3.27Å; Q79-T81 PolarHBondContact O-N 2.9Å; Q79-V82 PolarHBondContact O-N 3.02Å; Q79-E83 WeakPolarHBondContact O-CG 3.23Å; Q79-E83 PolarHBondContact O-N 3.12Å
80K91.5Very high88.5Confident159 Ų15980.5 Ų80.569%0.69151%0.505SS*.Hα-helixtrans-64.2-31.6-179.7-167.7172.9-175.4175.30112.9A76 V77 A78 G84A76-K80 WeakPolarHBondContact O-CB 3.45Å; A76-K80 PolarHBondContact O-N 2.9Å; V77-K80 PolarHBondContact O-N 3.35Å; A78-K80 PolarHBondContact O-N 2.94Å; K80-G84 PolarHBondContact O-N 3.46Å
81T89.9Confident88.4Confident90 Ų9080.7 Ų80.755%0.55252%0.516SS*.Hα-helixtrans-69.3-42.2176.5-58.70000111.1V77 A78 Q79 G84 A85V77-T81 VanDerWaalsContact O-CB 3.27Å; V77-T81 WeakPolarHBondContact O-CB 3.31Å; V77-T81 PolarHBondContact O-N 2.91Å; V77-T81 PolarHBondContact O-OG1 2.96Å; A78-T81 PolarHBondContact O-N 3.5Å; Q79-T81 VanDerWaalsContact C-N 3.27Å; Q79-T81 PolarHBondContact O-N 2.9Å; T81-G84 PolarHBondContact O-N 3.47Å; T81-A85 WeakPolarHBondContact O-CB 3.47Å; T81-A85 PolarHBondContact O-N 3.36Å
82V90.6Very high88.3Confident108 Ų10880.1 Ų80.166%0.65551%0.513SS*.Hα-helixtrans-65.4-46.4176.6173.40000110.8A78 Q79 G84 A85 G86A78-V82 WeakPolarHBondContact O-CG2 3.36Å; A78-V82 PolarHBondContact O-N 3.43Å; Q79-V82 PolarHBondContact O-N 3.02Å; V82-G84 PolarHBondContact O-N 3.17Å; V82-A85 PolarHBondContact O-N 2.88Å; V82-G86 PolarHBondContact O-N 3.48Å
83E89.7Confident88.1Confident136 Ų13677.8 Ų77.864%0.63651%0.508SS*.Hα-helixtrans-61.2-43.5175.8-70.7171.6-166.800111.8Q79 G86 S87Q79-E83 WeakPolarHBondContact O-CG 3.23Å; Q79-E83 PolarHBondContact O-N 3.12Å; E83-G86 PolarHBondContact O-N 2.91Å; E83-S87 WeakPolarHBondContact O-CB 3.21Å; E83-S87 PolarHBondContact O-N 3.45Å
84G87.9Confident88Confident29 Ų2984 Ų8430%0.29953%0.525SS..Hα-helixtrans-63-44.9176.800000112.5K80 T81 V82 G86 S87 I88K80-G84 PolarHBondContact O-N 3.46Å; T81-G84 PolarHBondContact O-N 3.47Å; V82-G84 PolarHBondContact O-N 3.17Å; G84-G86 VanDerWaalsContact C-N 3.34Å; G84-G86 PolarHBondContact O-N 2.85Å; G84-S87 PolarHBondContact O-N 3.15Å; G84-I88 WeakPolarHBondContact O-CD1 3.44Å; G84-I88 VanDerWaalsContact O-CG1 3.23Å; G84-I88 WeakPolarHBondContact O-CG1 3.42Å; G84-I88 PolarHBondContact O-N 2.92Å
85A88.1Confident87.8Confident56 Ų5684.1 Ų84.146%0.46353%0.526SS..Hα-helixtrans-61.5-43.1175.700000111.7T81 V82 I88 A89T81-A85 WeakPolarHBondContact O-CB 3.47Å; T81-A85 PolarHBondContact O-N 3.36Å; V82-A85 PolarHBondContact O-N 2.88Å; A85-I88 PolarHBondContact O-N 3.38Å; A85-A89 WeakPolarHBondContact O-CB 3.42Å; A85-A89 PolarHBondContact O-N 3.26Å
86G86.4Confident87.6Confident41 Ų4191 Ų9142%0.42355%0.55SS.*Hα-helixtrans-62.3-41.8174.700000112.6V82 E83 G84 A89 A90V82-G86 PolarHBondContact O-N 3.48Å; E83-G86 PolarHBondContact O-N 2.91Å; G84-G86 VanDerWaalsContact C-N 3.34Å; G84-G86 PolarHBondContact O-N 2.85Å; G86-A89 PolarHBondContact O-N 3.48Å; G86-A90 VanDerWaalsContact O-CB 3.31Å; G86-A90 WeakPolarHBondContact O-CB 3.34Å; G86-A90 PolarHBondContact O-N 3.3Å
87S91.3Very high87.3Confident81 Ų8195.8 Ų95.857%0.56656%0.561SS**Hα-helixtrans-64.2-41.2176.3-176.90000112.2E83 G84 A90 A91E83-S87 WeakPolarHBondContact O-CB 3.21Å; E83-S87 PolarHBondContact O-N 3.45Å; G84-S87 PolarHBondContact O-N 3.15Å; S87-A90 PolarHBondContact O-N 2.86Å; S87-A91 VanDerWaalsContact O-CB 3.27Å; S87-A91 WeakPolarHBondContact O-CB 3.07Å; S87-A91 PolarHBondContact O-N 3.5Å
88I87Confident86.9Confident112 Ų11299.2 Ų99.257%0.57458%0.576SS**Hα-helixtrans-65.2-47.2175.8-66161.7000110.3G84 A85 A90 A91 T92G84-I88 WeakPolarHBondContact O-CD1 3.44Å; G84-I88 VanDerWaalsContact O-CG1 3.23Å; G84-I88 WeakPolarHBondContact O-CG1 3.42Å; G84-I88 PolarHBondContact O-N 2.92Å; A85-I88 PolarHBondContact O-N 3.38Å; I88-A90 VanDerWaalsContact C-N 3.33Å; I88-A90 PolarHBondContact O-N 3.27Å; I88-A91 PolarHBondContact O-N 2.97Å; I88-T92 HydrophobicContact CG2-CG2 4.19Å; I88-T92 WeakPolarHBondContact O-CB 3.16Å; I88-T92 WeakPolarHBondContact O-CG2 3.47Å; I88-T92 PolarHBondContact O-N 3.06Å; I88-T92 PolarHBondContact O-OG1 3.45Å; I88-T92 VanDerWaalsContact O-OG1 3.12Å
89A84.9Confident86.5Confident28 Ų28102.7 Ų102.723%0.23158%0.584CS.*Hα-helixtrans-59.2-44.8177.900000111.5A85 G86 T92 G93 F94A85-A89 WeakPolarHBondContact O-CB 3.42Å; A85-A89 PolarHBondContact O-N 3.26Å; G86-A89 PolarHBondContact O-N 3.48Å; A89-T92 WeakPolarHBondContact CA-OG1 3.27Å; A89-T92 PolarHBondContact O-N 3Å; A89-T92 PolarHBondContact O-OG1 3.39Å; A89-G93 PolarHBondContact O-N 2.88Å; A89-F94 HydrophobicContact CB-CD1 4.5Å; A89-F94 HydrophobicContact CB-CE1 3.85Å; A89-F94 HydrophobicContact CB-CZ 3.94Å; A89-F94 PolarHBondContact O-N 3.39Å
90A87.1Confident85.8Confident64 Ų64105.9 Ų105.953%0.52960%0.604SS.*Hα-helixtrans-62.5-44.7175.300000112.4G86 S87 I88 T92 G93G86-A90 VanDerWaalsContact O-CB 3.31Å; G86-A90 WeakPolarHBondContact O-CB 3.34Å; G86-A90 PolarHBondContact O-N 3.3Å; S87-A90 PolarHBondContact O-N 2.86Å; I88-A90 VanDerWaalsContact C-N 3.33Å; I88-A90 PolarHBondContact O-N 3.27Å; A90-T92 VanDerWaalsContact C-N 3.33Å; A90-T92 PolarHBondContact O-N 2.96Å; A90-G93 PolarHBondContact O-N 2.95Å; A90-G93 VanDerWaalsContact O-N 3.12Å
91A85.7Confident85.1Confident90 Ų90101.5 Ų101.574%0.74460%0.604SS**Hα-helixtrans-65.7-34.9178.900000112.7S87 I88 G93S87-A91 VanDerWaalsContact O-CB 3.27Å; S87-A91 WeakPolarHBondContact O-CB 3.07Å; S87-A91 PolarHBondContact O-N 3.5Å; I88-A91 PolarHBondContact O-N 2.97Å; A91-G93 PolarHBondContact O-N 3.2Å
92T83.9Confident84.7Confident82 Ų82106.6 Ų106.650%0.50362%0.618SS.*THydrogen-bonded Turntrans-76.8-5.9175.563.70000113.4I88 A89 A90 F94 V95I88-T92 HydrophobicContact CG2-CG2 4.19Å; I88-T92 WeakPolarHBondContact O-CB 3.16Å; I88-T92 WeakPolarHBondContact O-CG2 3.47Å; I88-T92 PolarHBondContact O-N 3.06Å; I88-T92 PolarHBondContact O-OG1 3.45Å; I88-T92 VanDerWaalsContact O-OG1 3.12Å; A89-T92 WeakPolarHBondContact CA-OG1 3.27Å; A89-T92 PolarHBondContact O-N 3Å; A89-T92 PolarHBondContact O-OG1 3.39Å; A90-T92 VanDerWaalsContact C-N 3.33Å; A90-T92 PolarHBondContact O-N 2.96Å; T92-F94 PolarHBondContact O-N 3.24Å; T92-V95 WeakPolarHBondContact O-CG2 3.48Å; T92-V95 PolarHBondContact O-N 3.45Å
93G85.3Confident84.1Confident47 Ų47107.1 Ų107.149%0.48562%0.617SS.*THydrogen-bonded Turntrans65.720.2177.200000114.6A89 A90 A91 V95A89-G93 PolarHBondContact O-N 2.88Å; A90-G93 PolarHBondContact O-N 2.95Å; A90-G93 VanDerWaalsContact O-N 3.12Å; A91-G93 PolarHBondContact O-N 3.2Å; G93-V95 PolarHBondContact O-N 2.87Å
94F85.9Confident83.4Confident164 Ų164109.9 Ų109.972%0.71963%0.63SS**THydrogen-bonded Turntrans55.531.2-176.7-62.3-90.1000114.4A89 T92A89-F94 HydrophobicContact CB-CD1 4.5Å; A89-F94 HydrophobicContact CB-CE1 3.85Å; A89-F94 HydrophobicContact CB-CZ 3.94Å; A89-F94 PolarHBondContact O-N 3.39Å; T92-F94 PolarHBondContact O-N 3.24Å
95V85.5Confident83Confident97 Ų97117.2 Ų117.259%0.58866%0.657SS**  trans-82.4130.9-178.8-171.20000110.7T92 G93 K97T92-V95 WeakPolarHBondContact O-CG2 3.48Å; T92-V95 PolarHBondContact O-N 3.45Å; G93-V95 PolarHBondContact O-N 2.87Å; V95-K97 WeakPolarHBondContact CG1-O 3.4Å
96K83.4Confident82.6Confident214 Ų214117.9 Ų117.993%0.9367%0.669SS**SBendtrans-72.5-31.4-180-68-178.4-178.6178.10113.8
97K83.4Confident82.1Confident149 Ų149119.6 Ų119.665%0.64868%0.679SS**SBendtrans-139.1126.7175.7-77.2-166.6177.289.50108.8V95 Q99V95-K97 WeakPolarHBondContact CG1-O 3.4Å; K97-Q99 VanDerWaalsContact C-N 3.34Å; K97-Q99 HydrophobicContact CB-CG 4.46Å; K97-Q99 PolarHBondContact O-N 3.23Å
98D81.3Confident81.5Confident167 Ų167122.4 Ų122.489%0.89370%0.695SS**  trans-71.893171.6-166.714.2000108.8
99Q80.1Confident81.2Confident126 Ų126125.7 Ų125.759%0.58971%0.709SS**  trans-128.8128.4177.2-83.8-175.69600108.8K97K97-Q99 VanDerWaalsContact C-N 3.34Å; K97-Q99 HydrophobicContact CB-CG 4.46Å; K97-Q99 PolarHBondContact O-N 3.23Å
100L73.5Confident81.3Confident184 Ų184134 Ų13496%0.96374%0.743SS**  trans-106.9118.8176.7-169.369.8000109.2
101G77.4Confident81.3Confident67 Ų67134.5 Ų134.569%0.69175%0.754SS**SBendtrans124.6170.2-177.500000112.6
102K79.6Confident81.4Confident196 Ų196137.7 Ų137.785%0.85276%0.757SS**  trans-90.1140169.9-66.6-178.3178.7179.90108.1E104K102-E104 PolarHBondContact O-N 3.48Å
103N79.4Confident81.6Confident119 Ų119141.8 Ų141.864%0.63677%0.774SS**  trans-66.8100.6162.3-78-6.8000107E105N103-E105 PolarHBondContact O-N 3.39Å; N103-E105 VanDerWaalsContact O-N 3.16Å
104E74.9Confident81.7Confident194 Ų194148.7 Ų148.791%0.90779%0.794SS**  trans-72103.9169.9-78.6-170.3140.300108.4K102K102-E104 PolarHBondContact O-N 3.48Å
105E79.3Confident82Confident184 Ų184147.8 Ų147.886%0.8680%0.797SS**  trans-90.8124.8170.3-71.9174.9178.100108.7N103N103-E105 PolarHBondContact O-N 3.39Å; N103-E105 VanDerWaalsContact O-N 3.16Å
106G78.9Confident82.2Confident70 Ų70151.2 Ų151.272%0.72281%0.809SS**  trans-146.4156.1179.500000111.6
107A76.5Confident82.5Confident77 Ų77146.8 Ų146.864%0.63680%0.802SS**  trans63.795.9-17700000114.5Q109A107-Q109 PolarHBondContact O-N 3.23Å
108P77.7Confident82.9Confident139 Ų139146.2 Ų146.290%0.90381%0.81SS**  trans-64.5131.6173.827.2-31.9000110
109Q82.4Confident83.3Confident182 Ų182142.7 Ų142.785%0.8579%0.791SS**  trans-122.9131.9172.7-64.5-176.823.600108.5A107A107-Q109 PolarHBondContact O-N 3.23Å
110E86.3Confident83.8Confident203 Ų203142.1 Ų142.195%0.94980%0.798SS**  trans-104.9136.1174.3-64.9-175.6171.200109.2
111G86Confident84.7Confident74 Ų74139 Ų13976%0.76378%0.783SS**  trans-164.8157.4179.600000111.1
112I89.7Confident85.2Confident157 Ų157141.3 Ų141.381%0.80578%0.779SS**  trans-96.5132.617254.1168.3000109.2
113L87.3Confident85.6Confident167 Ų167140.2 Ų140.287%0.87478%0.777SS**  trans-75.6124.6167.1-62.4177.2000107.6D115L113-D115 VanDerWaalsContact C-N 3.34Å
114Q86.9Confident86.2Confident193 Ų193137.7 Ų137.790%0.90277%0.773SS**SBendtrans-73.3-30.1178.2-73.3172.1400111.9
115D92.1Very high86.8Confident145 Ų145140 Ų14078%0.77578%0.775SS**SBendtrans-79.6129.3171.9-110.7-18000109.6L113L113-D115 VanDerWaalsContact C-N 3.34Å
116M89.8Confident87.1Confident169 Ų169138.9 Ų138.983%0.83377%0.77SS**PPolyproline II helixtrans-63.4138.4169.8-67.7-169.3-64.500108.9
117P89.6Confident87.5Confident121 Ų121141.1 Ų141.179%0.78676%0.763SS**PPolyproline II helixtrans-60.2142.9175.426.9-33.5000109.4D119P117-D119 PolarHBondContact O-N 3.4Å; P117-D119 VanDerWaalsContact O-N 3.12Å
118V92.7Very high88Confident136 Ų136141.4 Ų141.482%0.82476%0.758SS**  trans-67.9111.7167.1179.40000106.5P120V118-P120 VanDerWaalsContact O-CD 3.31Å; V118-P120 WeakPolarHBondContact O-CD 3.49Å
119D89.7Confident88.4Confident93 Ų93140.4 Ų140.450%0.49775%0.754SS.*  trans-83.3111.2166.4-154.1-38.6000108.1P117 D121P117-D119 PolarHBondContact O-N 3.4Å; P117-D119 VanDerWaalsContact O-N 3.12Å; D119-D121 PolarHBondContact O-N 3.22Å; D119-D121 WeakPolarHBondContact OD1-CB 3.31Å; D119-D121 PolarHBondContact OD1-N 2.86Å
120P89.9Confident88.7Confident114 Ų114140.4 Ų140.474%0.7475%0.754SS**  trans-71.6-18.6177.231.4-34.8000111.9V118V118-P120 VanDerWaalsContact O-CD 3.31Å; V118-P120 WeakPolarHBondContact O-CD 3.49Å
121D91.9Very high88.5Confident120 Ų120138 Ų13864%0.64274%0.743SS**SBendtrans-81.4131.1177.3-67.1-32.9000109.1D119 E123D119-D121 PolarHBondContact O-N 3.22Å; D119-D121 WeakPolarHBondContact OD1-CB 3.31Å; D119-D121 PolarHBondContact OD1-N 2.86Å; D121-E123 PolarHBondContact O-N 3.12Å
122N88.7Confident88.1Confident114 Ų114136.4 Ų136.461%0.6173%0.727SS**  trans-76.61-176.7-163.123.1000112.9A124N122-A124 WeakPolarHBondContact O-CB 3.4Å; N122-A124 PolarHBondContact O-N 3.42Å
123E88.6Confident87.8Confident173 Ų173137.1 Ų137.181%0.80872%0.721SS**  trans42.627.9-175.2-62.3-164.9155.300115D121D121-E123 PolarHBondContact O-N 3.12Å
124A91.7Very high87.8Confident66 Ų66136.8 Ų136.855%0.54571%0.714SS.*SBendtrans-136.4145.1-173.900000110.6N122 E126N122-A124 WeakPolarHBondContact O-CB 3.4Å; N122-A124 PolarHBondContact O-N 3.42Å; A124-E126 PolarHBondContact O-N 2.9Å; A124-E126 VanDerWaalsContact O-N 3.15Å
125Y86.1Confident87.9Confident244 Ų244135 Ų13596%0.95771%0.711SS**  trans-70.5106.7166.2-75.8-80.1000108.8
126E86.3Confident87.5Confident160 Ų160136.3 Ų136.375%0.74871%0.706SS**PPolyproline II helixtrans-87.3127.1175.2-151.3170.4-161.200109.3A124A124-E126 PolarHBondContact O-N 2.9Å; A124-E126 VanDerWaalsContact O-N 3.15Å
127M88.2Confident87.2Confident117 Ų117135.8 Ų135.858%0.57670%0.702SS**PPolyproline II helixtrans-69.4137.2176.7-64.7-160.2-52.500109.4S129 Y133M127-S129 PolarHBondContact O-N 3.41Å; M127-Y133 HydrophobicContact CE-CE1 3.95Å
128P86.7Confident86.8Confident83 Ų83135.9 Ų135.954%0.53970%0.702SS.*PPolyproline II helixtrans-61.5139.1177.526.5-33.1000109.7E130 E131P128-E130 PolarHBondContact O-N 2.96Å; P128-E131 HydrophobicContact CG-CG 4.33Å; P128-E131 PolarHBondContact O-N 2.87Å
129S86.9Confident86.1Confident117 Ų117138.5 Ų138.582%0.81871%0.705SS**THydrogen-bonded Turntrans-62.2-7.7178.456.80000114.1M127 G132M127-S129 PolarHBondContact O-N 3.41Å; S129-G132 PolarHBondContact O-N 3.36Å
130E88.6Confident84.8Confident182 Ų182141.5 Ų141.585%0.8574%0.744SS**THydrogen-bonded Turntrans-68.9-32.1176.8-169.7173.3178.400113P128 G132P128-E130 PolarHBondContact O-N 2.96Å; E130-G132 PolarHBondContact O-N 3.16Å
131E80.4Confident84.5Confident153 Ų153142.9 Ų142.972%0.71574%0.744SS**SBendtrans-67.1-21.3177.3-68.2-67.3152.100112.1P128P128-E131 HydrophobicContact CG-CG 4.33Å; P128-E131 PolarHBondContact O-N 2.87Å
132G78Confident84.1Confident40 Ų40144.1 Ų144.141%0.41275%0.749SS.*  trans59.9179-17800000113.1S129 E130S129-G132 PolarHBondContact O-N 3.36Å; E130-G132 PolarHBondContact O-N 3.16Å
133Y84.4Confident83.9Confident173 Ų173145.8 Ų145.868%0.67876%0.757SS**  trans-126.3134.2170.5-64.4-83.1000107.7M127 D135M127-Y133 HydrophobicContact CE-CE1 3.95Å; Y133-D135 PolarHBondContact O-N 2.99Å
134Q86.3Confident83.6Confident159 Ų159144.2 Ų144.274%0.74375%0.754SS**  trans-78.9106.8172.6-76.4-177.2-7.600108.7Y136Q134-Y136 VanDerWaalsContact C-N 3.27Å
135D89.1Confident83.1Confident155 Ų155149.1 Ų149.183%0.82977%0.767SS**  trans-86.35.4177.9-64.2-32.8000113.1Y133Y133-D135 PolarHBondContact O-N 2.99Å
136Y84.9Confident82.9Confident173 Ų173142.7 Ų142.768%0.67875%0.754SS**SBendtrans-135.3142.3-179.755.4-91.1000111.6Q134Q134-Y136 VanDerWaalsContact C-N 3.27Å
137E82.3Confident82.6Confident159 Ų159141.5 Ų141.574%0.74376%0.755SS**  trans-83.1142.5175.2-69.7-173156.300110.9E139E137-E139 PolarHBondContact O-N 3.12Å
138P81.8Confident82.2Confident122 Ų122143.4 Ų143.479%0.79277%0.768SS**THydrogen-bonded Turntrans-71.6-8.3-176.528.2-35.1000114.8
139E78.5Confident81.8Confident191 Ų191148.4 Ų148.489%0.89379%0.787SS**THydrogen-bonded Turntrans-111.219.4-173.5-62.5-153.2168.400115.3E137E137-E139 PolarHBondContact O-N 3.12Å
140A61Low81.4Confident157 Ų157151.3 Ų151.3100%1.29879%0.785SS**  trans-117.60173.100000113

Retrieved 140 of 140 residues in 486.5 ms (Link to these results)