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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 , UniProt , Accession Q3T0G8, Species BOVIN (Bos taurus, Bovine), 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
1M86.9Confident90.2Very high188 Ų188116.9 Ų116.993%0.92662%0.621SS**  0-4.10-75.2176.5-179.500112.4V3 F4 M5M1-V3 PolarHBondContact O-N 3.15Å; M1-F4 WeakPolarHBondContact O-CB 3.38Å; M1-F4 PolarHBondContact O-N 3.47Å; M1-F4 VanDerWaalsContact O-N 3.11Å; M1-M5 PolarHBondContact O-N 3.28Å
2D89.8Confident90.1Very high134 Ų134119.7 Ų119.772%0.71762%0.624SS**Hα-helixtrans-67.4-37.5-168.4-48.9-66.7000113.5F4 M5 K6D2-F4 VanDerWaalsContact C-N 3.27Å; D2-F4 PolarHBondContact O-N 3.47Å; D2-M5 PolarHBondContact O-N 2.82Å; D2-K6 WeakPolarHBondContact O-CB 3.4Å; D2-K6 PolarHBondContact O-N 3.34Å
3V92.2Very high90.2Very high129 Ų129120.8 Ų120.878%0.78262%0.624SS**Hα-helixtrans-61.2-39175.1-177.90000111.1M1 G7M1-V3 PolarHBondContact O-N 3.15Å; V3-G7 PolarHBondContact O-N 3.38Å
4F90.5Very high90.2Very high147 Ų147115.2 Ų115.265%0.64561%0.611SS**Hα-helixtrans-68-46.6176.9178-94.1000111.4M1 D2 K6 G7 L8M1-F4 WeakPolarHBondContact O-CB 3.38Å; M1-F4 PolarHBondContact O-N 3.47Å; M1-F4 VanDerWaalsContact O-N 3.11Å; D2-F4 VanDerWaalsContact C-N 3.27Å; D2-F4 PolarHBondContact O-N 3.47Å; F4-K6 VanDerWaalsContact C-N 3.3Å; F4-K6 PolarHBondContact O-N 3.06Å; F4-G7 WeakPolarHBondContact O-CA 2.92Å; F4-G7 PolarHBondContact O-N 3.16Å; F4-G7 VanDerWaalsContact O-N 3.1Å; F4-L8 WeakPolarHBondContact O-CB 3.37Å; F4-L8 PolarHBondContact O-N 3.35Å
5M89.9Confident90.4Very high108 Ų108114.3 Ų114.353%0.53261%0.611SS.*Hα-helixtrans-60-40.8176.2-71.8-65.2-16500112.1M1 D2 L8 S9M1-M5 PolarHBondContact O-N 3.28Å; D2-M5 PolarHBondContact O-N 2.82Å; M5-L8 PolarHBondContact O-N 3.04Å; M5-S9 WeakPolarHBondContact O-CB 3.34Å; M5-S9 PolarHBondContact O-N 3.01Å; M5-S9 PolarHBondContact O-OG 3Å
6K91.4Very high90.5Very high166 Ų166111.3 Ų111.372%0.72260%0.598SS**Hα-helixtrans-63.9-41.7173.7-171.7174.5-177173.50111.7D2 F4 S9 K10D2-K6 WeakPolarHBondContact O-CB 3.4Å; D2-K6 PolarHBondContact O-N 3.34Å; F4-K6 VanDerWaalsContact C-N 3.3Å; F4-K6 PolarHBondContact O-N 3.06Å; K6-S9 PolarHBondContact O-N 3.43Å; K6-K10 WeakPolarHBondContact O-CB 3.28Å; K6-K10 PolarHBondContact O-N 2.96Å
7G90.5Very high90.4Very high39 Ų39108.1 Ų108.140%0.40259%0.59SS.*Hα-helixtrans-63.1-46.8175.700000113V3 F4 S9 K10 A11V3-G7 PolarHBondContact O-N 3.38Å; F4-G7 WeakPolarHBondContact O-CA 2.92Å; F4-G7 PolarHBondContact O-N 3.16Å; F4-G7 VanDerWaalsContact O-N 3.1Å; G7-S9 PolarHBondContact O-N 3.28Å; G7-K10 PolarHBondContact O-N 3.18Å; G7-A11 WeakPolarHBondContact O-CB 3.4Å; G7-A11 PolarHBondContact O-N 2.89Å
8L90.4Very high90.3Very high98 Ų98105.1 Ų105.151%0.51358%0.583SS.*Hα-helixtrans-61.4-43.2176.418062.5000111.6F4 M5 A11 K12F4-L8 WeakPolarHBondContact O-CB 3.37Å; F4-L8 PolarHBondContact O-N 3.35Å; M5-L8 PolarHBondContact O-N 3.04Å; L8-A11 PolarHBondContact O-N 3.32Å; L8-K12 WeakPolarHBondContact O-CB 3.4Å; L8-K12 PolarHBondContact O-N 3.31Å
9S90.8Very high90.4Very high61 Ų61102.7 Ų102.743%0.42758%0.578SS.*Hα-helixtrans-63.6-45.2177.6-57.90000111.4M5 K6 G7 A11 K12 E13M5-S9 WeakPolarHBondContact O-CB 3.34Å; M5-S9 PolarHBondContact O-N 3.01Å; M5-S9 PolarHBondContact O-OG 3Å; K6-S9 PolarHBondContact O-N 3.43Å; G7-S9 PolarHBondContact O-N 3.28Å; S9-A11 VanDerWaalsContact C-N 3.32Å; S9-A11 PolarHBondContact O-N 3.45Å; S9-K12 WeakPolarHBondContact O-CB 3.5Å; S9-K12 PolarHBondContact O-N 3.16Å; S9-E13 WeakPolarHBondContact O-CG 3.31Å; S9-E13 PolarHBondContact O-N 3.41Å
10K90.8Very high90.3Very high158 Ų158103.9 Ų103.969%0.68758%0.578SS**Hα-helixtrans-61.9-38.8175.7-172.2175.8-177.5179.10112.3K6 G7 G14K6-K10 WeakPolarHBondContact O-CB 3.28Å; K6-K10 PolarHBondContact O-N 2.96Å; G7-K10 PolarHBondContact O-N 3.18Å; K10-G14 PolarHBondContact O-N 2.96Å
11A88.7Confident90.3Very high58 Ų58106.9 Ų106.948%0.47959%0.585SS.*Hα-helixtrans-65.1-44.617500000111.4G7 L8 S9 G14 V15G7-A11 WeakPolarHBondContact O-CB 3.4Å; G7-A11 PolarHBondContact O-N 2.89Å; L8-A11 PolarHBondContact O-N 3.32Å; S9-A11 VanDerWaalsContact C-N 3.32Å; S9-A11 PolarHBondContact O-N 3.45Å; A11-G14 PolarHBondContact O-N 2.9Å; A11-V15 WeakPolarHBondContact O-CG2 3.4Å; A11-V15 PolarHBondContact O-N 3.27Å
12K89.7Confident90.3Very high150 Ų150102.1 Ų102.165%0.65257%0.567SS**Hα-helixtrans-59.2-47.2175.3-177.6-176.9176.5-174.90111.6L8 S9 G14 V15 V16L8-K12 WeakPolarHBondContact O-CB 3.4Å; L8-K12 PolarHBondContact O-N 3.31Å; S9-K12 WeakPolarHBondContact O-CB 3.5Å; S9-K12 PolarHBondContact O-N 3.16Å; K12-G14 VanDerWaalsContact C-N 3.32Å; K12-G14 PolarHBondContact O-N 3.28Å; K12-V15 PolarHBondContact O-N 3.16Å; K12-V16 WeakPolarHBondContact O-CG2 3.49Å; K12-V16 PolarHBondContact O-N 3.3Å
13E90.5Very high90.2Very high134 Ų134103.6 Ų103.663%0.62657%0.567SS**Hα-helixtrans-58.3-43.1175.4-74.4173.1-178.600111.8S9 V15 V16 A17S9-E13 WeakPolarHBondContact O-CG 3.31Å; S9-E13 PolarHBondContact O-N 3.41Å; E13-V15 PolarHBondContact O-N 3.3Å; E13-V16 PolarHBondContact O-N 3.11Å; E13-A17 VanDerWaalsContact O-CB 3.3Å; E13-A17 WeakPolarHBondContact O-CB 3.39Å; E13-A17 PolarHBondContact O-N 3.49Å
14G90.1Very high89.9Confident43 Ų43103.8 Ų103.844%0.44356%0.56SS.*Hα-helixtrans-61.2-42.317600000113.3K10 A11 K12 A18K10-G14 PolarHBondContact O-N 2.96Å; A11-G14 PolarHBondContact O-N 2.9Å; K12-G14 VanDerWaalsContact C-N 3.32Å; K12-G14 PolarHBondContact O-N 3.28Å; G14-A18 WeakPolarHBondContact O-CB 3.43Å; G14-A18 PolarHBondContact O-N 3.23Å
15V93.5Very high89.7Confident101 Ų10198.7 Ų98.761%0.61255%0.549SS*.Hα-helixtrans-65.3-45.1176.2173.20000111.1A11 K12 E13 A18 A19A11-V15 WeakPolarHBondContact O-CG2 3.4Å; A11-V15 PolarHBondContact O-N 3.27Å; K12-V15 PolarHBondContact O-N 3.16Å; E13-V15 PolarHBondContact O-N 3.3Å; V15-A18 PolarHBondContact O-N 2.79Å; V15-A19 VanDerWaalsContact O-CB 3.32Å; V15-A19 WeakPolarHBondContact O-CB 3.46Å; V15-A19 PolarHBondContact O-N 3.06Å
16V92.1Very high89.6Confident66 Ų6698.2 Ų98.240%0.455%0.551SS.*Hα-helixtrans-62.2-47.2177.8173.40000110.5K12 E13 A18 A19 E20K12-V16 WeakPolarHBondContact O-CG2 3.49Å; K12-V16 PolarHBondContact O-N 3.3Å; E13-V16 PolarHBondContact O-N 3.11Å; V16-A18 VanDerWaalsContact C-N 3.35Å; V16-A18 PolarHBondContact O-N 3.38Å; V16-A19 PolarHBondContact O-N 2.98Å; V16-E20 HydrophobicContact CG1-CG 4.31Å; V16-E20 WeakPolarHBondContact O-CB 3.48Å; V16-E20 WeakPolarHBondContact O-CG 3.35Å; V16-E20 PolarHBondContact O-N 3.39Å
17A88.7Confident89.2Confident57 Ų5793.2 Ų93.247%0.47154%0.541SS..Hα-helixtrans-61.9-40.2178.700000112.6E13 K21E13-A17 VanDerWaalsContact O-CB 3.3Å; E13-A17 WeakPolarHBondContact O-CB 3.39Å; E13-A17 PolarHBondContact O-N 3.49Å; A17-K21 VanDerWaalsContact O-CB 3.28Å; A17-K21 WeakPolarHBondContact O-CB 3.26Å; A17-K21 PolarHBondContact O-N 3.32Å
18A89.6Confident88.8Confident55 Ų5595.6 Ų95.646%0.45554%0.542SS..Hα-helixtrans-66.3-43.3175.400000111.8G14 V15 V16 T22G14-A18 WeakPolarHBondContact O-CB 3.43Å; G14-A18 PolarHBondContact O-N 3.23Å; V15-A18 PolarHBondContact O-N 2.79Å; V16-A18 VanDerWaalsContact C-N 3.35Å; V16-A18 PolarHBondContact O-N 3.38Å; A18-T22 WeakPolarHBondContact O-CB 3.42Å; A18-T22 PolarHBondContact O-N 2.95Å; A18-T22 PolarHBondContact O-OG1 3.5Å
19A90.6Very high88.4Confident59 Ų5993.6 Ų93.649%0.48854%0.54SS..Hα-helixtrans-63.5-42.7176.400000111.8V15 V16 T22 K23V15-A19 VanDerWaalsContact O-CB 3.32Å; V15-A19 WeakPolarHBondContact O-CB 3.46Å; V15-A19 PolarHBondContact O-N 3.06Å; V16-A19 PolarHBondContact O-N 2.98Å; A19-T22 PolarHBondContact O-N 3.1Å; A19-K23 WeakPolarHBondContact O-CB 3.47Å; A19-K23 PolarHBondContact O-N 2.91Å
20E88.4Confident87.9Confident126 Ų12693.7 Ų93.759%0.58954%0.544SS*.Hα-helixtrans-65.3-46.8176-76.3-175.1173.400112.3V16 T22 K23 Q24V16-E20 HydrophobicContact CG1-CG 4.31Å; V16-E20 WeakPolarHBondContact O-CB 3.48Å; V16-E20 WeakPolarHBondContact O-CG 3.35Å; V16-E20 PolarHBondContact O-N 3.39Å; E20-T22 PolarHBondContact O-N 2.87Å; E20-K23 PolarHBondContact O-N 2.83Å; E20-K23 VanDerWaalsContact O-N 3.17Å; E20-Q24 WeakPolarHBondContact O-CB 3.31Å; E20-Q24 PolarHBondContact O-N 3.38Å
21K90.6Very high87.2Confident167 Ų16788 Ų8873%0.72653%0.53SS*.Hα-helixtrans-57.7-38.5175.2-175.3174.6-178.3176.20111.6A17 G25A17-K21 VanDerWaalsContact O-CB 3.28Å; A17-K21 WeakPolarHBondContact O-CB 3.26Å; A17-K21 PolarHBondContact O-N 3.32Å; K21-G25 PolarHBondContact O-N 3.44Å
22T88.5Confident86.6Confident89 Ų8994.3 Ų94.355%0.54654%0.542SS..Hα-helixtrans-69.5-46.5176.8-56.10000111.1A18 A19 E20 Q24 G25 V26A18-T22 WeakPolarHBondContact O-CB 3.42Å; A18-T22 PolarHBondContact O-N 2.95Å; A18-T22 PolarHBondContact O-OG1 3.5Å; A19-T22 PolarHBondContact O-N 3.1Å; E20-T22 PolarHBondContact O-N 2.87Å; T22-Q24 VanDerWaalsContact C-N 3.32Å; T22-Q24 PolarHBondContact O-N 2.87Å; T22-G25 PolarHBondContact O-N 3.02Å; T22-V26 HydrophobicContact CG2-CG2 4.35Å; T22-V26 WeakPolarHBondContact O-CB 3.27Å; T22-V26 VanDerWaalsContact O-CG2 3.25Å; T22-V26 WeakPolarHBondContact O-CG2 3.38Å; T22-V26 PolarHBondContact O-N 3.24Å
23K87.7Confident85.8Confident164 Ų16491 Ų9171%0.71353%0.534SS*.Hα-helixtrans-58.7-43.6176.4-175-179178.5-1760111.5A19 E20 A27A19-K23 WeakPolarHBondContact O-CB 3.47Å; A19-K23 PolarHBondContact O-N 2.91Å; E20-K23 PolarHBondContact O-N 2.83Å; E20-K23 VanDerWaalsContact O-N 3.17Å; K23-A27 WeakPolarHBondContact O-CB 3.23Å; K23-A27 PolarHBondContact O-N 2.87Å
24Q85.6Confident84.4Confident134 Ų13492.1 Ų92.163%0.62654%0.537SS*.Hα-helixtrans-66.1-46.6177.1-174179-2.600111.5E20 T22 V26 A27 E28E20-Q24 WeakPolarHBondContact O-CB 3.31Å; E20-Q24 PolarHBondContact O-N 3.38Å; T22-Q24 VanDerWaalsContact C-N 3.32Å; T22-Q24 PolarHBondContact O-N 2.87Å; Q24-V26 PolarHBondContact O-N 3.45Å; Q24-A27 PolarHBondContact O-N 3.13Å; Q24-E28 VanDerWaalsContact O-CB 3.29Å; Q24-E28 WeakPolarHBondContact O-CB 3.27Å; Q24-E28 PolarHBondContact O-N 2.8Å
25G85.5Confident82.9Confident40 Ų4099 Ų9941%0.41256%0.557SS.*Hα-helixtrans-61.7-42178.200000112.8K21 T22 A29K21-G25 PolarHBondContact O-N 3.44Å; T22-G25 PolarHBondContact O-N 3.02Å; G25-A29 WeakPolarHBondContact O-CB 3.45Å; G25-A29 PolarHBondContact O-N 2.86Å
26V88.1Confident81.3Confident97 Ų9796.5 Ų96.559%0.58855%0.552SS**Hα-helixtrans-66-45.1175.5173.30000110.9T22 Q24 E28 A29 A30T22-V26 HydrophobicContact CG2-CG2 4.35Å; T22-V26 WeakPolarHBondContact O-CB 3.27Å; T22-V26 VanDerWaalsContact O-CG2 3.25Å; T22-V26 WeakPolarHBondContact O-CG2 3.38Å; T22-V26 PolarHBondContact O-N 3.24Å; Q24-V26 PolarHBondContact O-N 3.45Å; V26-E28 PolarHBondContact O-N 2.88Å; V26-A29 PolarHBondContact O-N 3.44Å; V26-A30 WeakPolarHBondContact O-CB 3.36Å; V26-A30 PolarHBondContact O-N 2.94Å
27A83.4Confident79.6Confident61 Ų6197.7 Ų97.750%0.50456%0.56SS.*Hα-helixtrans-64.2-39.6178.100000112.3K23 Q24 A30 G31K23-A27 WeakPolarHBondContact O-CB 3.23Å; K23-A27 PolarHBondContact O-N 2.87Å; Q24-A27 PolarHBondContact O-N 3.13Å; A27-A30 PolarHBondContact O-N 3.35Å; A27-G31 PolarHBondContact O-N 2.89Å
28E81.7Confident78.2Confident89 Ų89101.6 Ų101.642%0.41657%0.572SS.*Hα-helixtrans-68.3-42.3177.4-170.3178.317300111.5Q24 V26 G31 R32Q24-E28 VanDerWaalsContact O-CB 3.29Å; Q24-E28 WeakPolarHBondContact O-CB 3.27Å; Q24-E28 PolarHBondContact O-N 2.8Å; V26-E28 PolarHBondContact O-N 2.88Å; E28-G31 PolarHBondContact O-N 3.49Å; E28-R32 HydrophobicContact CG-CG 4.44Å; E28-R32 WeakPolarHBondContact O-CB 3.33Å; E28-R32 VanDerWaalsContact O-CG 3.28Å; E28-R32 WeakPolarHBondContact O-CG 3.3Å; E28-R32 PolarHBondContact O-N 2.91Å; E28-R32 IonicContact OE1-CZ 3.22Å; E28-R32 VanDerWaalsContact OE1-CZ 3.22Å; E28-R32 IonicContact OE1-NE 3.01Å; E28-R32 PolarHBondContact OE1-NE 3.21Å; E28-R32 IonicContact OE1-NH2 2.66Å; E28-R32 PolarHBondContact OE1-NH2 3.28Å
29A81.7Confident76.8Confident57 Ų57107.6 Ų107.647%0.47158%0.584SS.*Hα-helixtrans-62.9-41.2174.500000112.4G25 V26 G31 R32 T33G25-A29 WeakPolarHBondContact O-CB 3.45Å; G25-A29 PolarHBondContact O-N 2.86Å; V26-A29 PolarHBondContact O-N 3.44Å; A29-G31 VanDerWaalsContact C-N 3.34Å; A29-R32 PolarHBondContact O-N 3.02Å; A29-T33 PolarHBondContact O-N 3.4Å; A29-T33 PolarHBondContact O-OG1 3.32Å
30A80.2Confident75.4Confident63 Ų63108.7 Ų108.752%0.52158%0.584SS.*Hα-helixtrans-66.3-35.2174.100000112.2V26 A27 T33V26-A30 WeakPolarHBondContact O-CB 3.36Å; V26-A30 PolarHBondContact O-N 2.94Å; A27-A30 PolarHBondContact O-N 3.35Å; A30-T33 WeakPolarHBondContact CA-OG1 3.41Å; A30-T33 PolarHBondContact O-OG1 3.2Å
31G77.1Confident74.1Confident38 Ų38104.3 Ų104.339%0.39257%0.573SS.*Hα-helixtrans-76.6-28177.500000114.1A27 E28 A29 K34A27-G31 PolarHBondContact O-N 2.89Å; E28-G31 PolarHBondContact O-N 3.49Å; A29-G31 VanDerWaalsContact C-N 3.34Å; G31-K34 WeakPolarHBondContact O-CE 3.37Å; G31-K34 WeakPolarHBondContact O-CG 3.34Å
32R75.9Confident72.8Confident191 Ų191101 Ų10172%0.72157%0.571SS**Hα-helixtrans-76.6-23.8175.6-74.6176.7179.9-125.95.4112.3E28 A29 K34E28-R32 HydrophobicContact CG-CG 4.44Å; E28-R32 WeakPolarHBondContact O-CB 3.33Å; E28-R32 VanDerWaalsContact O-CG 3.28Å; E28-R32 WeakPolarHBondContact O-CG 3.3Å; E28-R32 PolarHBondContact O-N 2.91Å; E28-R32 IonicContact OE1-CZ 3.22Å; E28-R32 VanDerWaalsContact OE1-CZ 3.22Å; E28-R32 IonicContact OE1-NE 3.01Å; E28-R32 PolarHBondContact OE1-NE 3.21Å; E28-R32 IonicContact OE1-NH2 2.66Å; E28-R32 PolarHBondContact OE1-NH2 3.28Å; A29-R32 PolarHBondContact O-N 3.02Å; R32-K34 PolarHBondContact O-N 2.84Å
33T72.1Confident71.5Confident80 Ų80104.9 Ų104.949%0.49158%0.58SS.*  trans-81.740.3176.841.10000113.7A29 A30 E35 G36A29-T33 PolarHBondContact O-N 3.4Å; A29-T33 PolarHBondContact O-OG1 3.32Å; A30-T33 WeakPolarHBondContact CA-OG1 3.41Å; A30-T33 PolarHBondContact O-OG1 3.2Å; T33-E35 PolarHBondContact O-N 3.47Å; T33-E35 VanDerWaalsContact O-N 3.08Å; T33-G36 PolarHBondContact O-N 3.03Å
34K62Low70.6Confident157 Ų157100.2 Ų100.268%0.68357%0.565SS**Hα-helixtrans-58-25.1-178.8-61.2-168177.2176.90114G31 R32G31-K34 WeakPolarHBondContact O-CE 3.37Å; G31-K34 WeakPolarHBondContact O-CG 3.34Å; R32-K34 PolarHBondContact O-N 2.84Å
35E58.4Low69.7Low187 Ų187101.1 Ų101.187%0.87457%0.567SS**Hα-helixtrans-77.3-31.8-178.9-113.5171.8171.200113.8T33T33-E35 PolarHBondContact O-N 3.47Å; T33-E35 VanDerWaalsContact O-N 3.08Å
36G59.1Low68.8Low50 Ų50107.3 Ų107.352%0.51559%0.585SS.*Hα-helixtrans-78.5-26.3-178.400000114.1T33T33-G36 PolarHBondContact O-N 3.03Å
37V56Low68.1Low91 Ų91105.1 Ų105.155%0.55258%0.583SS**Hα-helixtrans-95.5-31.1-167.1-172.10000113.1Y39 G41V37-Y39 VanDerWaalsContact C-N 3.31Å; V37-Y39 PolarHBondContact O-N 2.89Å; V37-G41 WeakPolarHBondContact O-CA 3.47Å; V37-G41 PolarHBondContact O-N 3.35Å
38L60Low67.8Low138 Ų138105.8 Ų105.872%0.72358%0.58SS**Hα-helixtrans-65-33.5179.5-85.9160.7000112.9
39Y59.4Low67.5Low182 Ų182106 Ų10671%0.71459%0.587SS**Hα-helixtrans-80.4-39.9-176.2-173.5-106.2000113.6V37V37-Y39 VanDerWaalsContact C-N 3.31Å; V37-Y39 PolarHBondContact O-N 2.89Å
40V61.8Low67.2Low82 Ų82110 Ų11050%0.49760%0.596SS.*Hα-helixtrans-88.1-32.2-179.3-179.50000111.7S42 K43 T44V40-S42 PolarHBondContact O-N 3.49Å; V40-K43 PolarHBondContact O-N 2.84Å; V40-T44 WeakPolarHBondContact O-CB 3.39Å; V40-T44 PolarHBondContact O-N 2.84Å; V40-T44 PolarHBondContact O-OG1 2.92Å; V40-T44 VanDerWaalsContact O-OG1 3.11Å
41G61.6Low67.1Low34 Ų34108.4 Ų108.435%0.35159%0.586SS.*Hα-helixtrans-59.8-39.9-174.800000113.7V37 K45V37-G41 WeakPolarHBondContact O-CA 3.47Å; V37-G41 PolarHBondContact O-N 3.35Å; G41-K45 VanDerWaalsContact O-CB 3.3Å; G41-K45 WeakPolarHBondContact O-CB 3.27Å; G41-K45 PolarHBondContact O-N 3.37Å
42S62.8Low67.4Low97 Ų97110.6 Ų110.668%0.67859%0.592SS**Hα-helixtrans-70.1-36.6-179.2-56.70000113.1V40V40-S42 PolarHBondContact O-N 3.49Å
43K62.5Low67.6Low170 Ų170105.3 Ų105.374%0.73958%0.581SS**Hα-helixtrans-75.9-31.2177.1-73.7-167176.8-175.60112.9V40V40-K43 PolarHBondContact O-N 2.84Å
44T68.8Low68Low66 Ų66104.1 Ų104.141%0.40557%0.574SS.*Hα-helixtrans-94.4-14-173.1-56.90000112.5V40 E46 G47 V48V40-T44 WeakPolarHBondContact O-CB 3.39Å; V40-T44 PolarHBondContact O-N 2.84Å; V40-T44 PolarHBondContact O-OG1 2.92Å; V40-T44 VanDerWaalsContact O-OG1 3.11Å; T44-E46 PolarHBondContact O-N 3.28Å; T44-G47 PolarHBondContact O-N 2.86Å; T44-V48 HydrophobicContact CG2-CG2 3.46Å; T44-V48 VanDerWaalsContact CG2-CG2 3.46Å; T44-V48 WeakPolarHBondContact O-CB 3.46Å; T44-V48 VanDerWaalsContact O-CG2 3.27Å; T44-V48 WeakPolarHBondContact O-CG2 3.4Å; T44-V48 PolarHBondContact O-N 3.35Å
45K66.5Low69.2Low154 Ų154100.7 Ų100.767%0.6757%0.565SS**Hα-helixtrans-55.9-45.7-179-169.3176.4-179.1-175.80113G41 V49G41-K45 VanDerWaalsContact O-CB 3.3Å; G41-K45 WeakPolarHBondContact O-CB 3.27Å; G41-K45 PolarHBondContact O-N 3.37Å; K45-V49 VanDerWaalsContact O-CG2 3.29Å; K45-V49 WeakPolarHBondContact O-CG2 3.14Å; K45-V49 PolarHBondContact O-N 2.94Å; K45-V49 VanDerWaalsContact O-N 3.07Å
46E66.4Low70.2Confident169 Ų16994.4 Ų94.479%0.7955%0.546SS*.Hα-helixtrans-69.3-43.1-179.9-67.5-179.7175.300111.8T44 V48 V49 H50T44-E46 PolarHBondContact O-N 3.28Å; E46-V48 VanDerWaalsContact C-N 3.35Å; E46-V48 PolarHBondContact O-N 3.37Å; E46-V49 PolarHBondContact O-N 2.92Å; E46-H50 PolarHBondContact O-N 3.47Å
47G72.1Confident71.4Confident52 Ų5298.4 Ų98.454%0.53655%0.551SS.*Hα-helixtrans-65-36.1175.900000113.3T44 G51T44-G47 PolarHBondContact O-N 2.86Å; G47-G51 PolarHBondContact O-N 3.43Å
48V78.3Confident72.9Confident74 Ų74100.1 Ų100.145%0.44855%0.551SS.*Hα-helixtrans-69.9-38.8176.3168.70000111.2T44 E46 H50 G51 V52T44-V48 HydrophobicContact CG2-CG2 3.46Å; T44-V48 VanDerWaalsContact CG2-CG2 3.46Å; T44-V48 WeakPolarHBondContact O-CB 3.46Å; T44-V48 VanDerWaalsContact O-CG2 3.27Å; T44-V48 WeakPolarHBondContact O-CG2 3.4Å; T44-V48 PolarHBondContact O-N 3.35Å; E46-V48 VanDerWaalsContact C-N 3.35Å; E46-V48 PolarHBondContact O-N 3.37Å; V48-H50 VanDerWaalsContact C-N 3.32Å; V48-H50 PolarHBondContact O-N 3.24Å; V48-G51 CarbonylContact O-C 3.56Å; V48-G51 PolarHBondContact O-N 3.24Å; V48-V52 HydrophobicContact CG1-CG2 3.71Å; V48-V52 VanDerWaalsContact O-CB 3.25Å; V48-V52 WeakPolarHBondContact O-CB 3.4Å; V48-V52 WeakPolarHBondContact O-CG2 3.43Å; V48-V52 PolarHBondContact O-N 2.99Å
49V75.1Confident74Confident93 Ų9396.3 Ų96.356%0.56453%0.534SS*.Hα-helixtrans-61.8-42.7177.7170.40000111.2K45 E46 V52 T53K45-V49 VanDerWaalsContact O-CG2 3.29Å; K45-V49 WeakPolarHBondContact O-CG2 3.14Å; K45-V49 PolarHBondContact O-N 2.94Å; K45-V49 VanDerWaalsContact O-N 3.07Å; E46-V49 PolarHBondContact O-N 2.92Å; V49-V52 PolarHBondContact O-N 3.48Å; V49-T53 PolarHBondContact O-N 2.91Å; V49-T53 PolarHBondContact O-OG1 3.37Å; V49-T53 VanDerWaalsContact O-OG1 3.05Å
50H74.9Confident75.1Confident141 Ų14195.1 Ų95.165%0.65353%0.532SS*.Hα-helixtrans-65.5-46.1174.2-168.968.4000111.4E46 V48 V52 T53 T54E46-H50 PolarHBondContact O-N 3.47Å; V48-H50 VanDerWaalsContact C-N 3.32Å; V48-H50 PolarHBondContact O-N 3.24Å; H50-V52 VanDerWaalsContact C-N 3.33Å; H50-V52 PolarHBondContact O-N 3.28Å; H50-T53 PolarHBondContact O-N 3.49Å; H50-T54 PolarHBondContact O-N 3.43Å; H50-T54 PolarHBondContact O-OG1 3.01Å
51G79.3Confident76Confident31 Ų3197.7 Ų97.732%0.3254%0.539SS..Hα-helixtrans-60.1-39.2176.500000113.5G47 V48 T53 T54 V55G47-G51 PolarHBondContact O-N 3.43Å; V48-G51 CarbonylContact O-C 3.56Å; V48-G51 PolarHBondContact O-N 3.24Å; G51-T53 VanDerWaalsContact C-N 3.3Å; G51-T53 PolarHBondContact O-N 2.88Å; G51-T54 PolarHBondContact O-N 3.36Å; G51-V55 WeakPolarHBondContact O-CB 3.32Å; G51-V55 WeakPolarHBondContact O-CG2 3.4Å; G51-V55 PolarHBondContact O-N 3.37Å
52V82.7Confident76.8Confident84 Ų84101.9 Ų101.951%0.50955%0.549SS..Hα-helixtrans-66-34.4178.4166.50000110.8V48 V49 H50 A56V48-V52 HydrophobicContact CG1-CG2 3.71Å; V48-V52 VanDerWaalsContact O-CB 3.25Å; V48-V52 WeakPolarHBondContact O-CB 3.4Å; V48-V52 WeakPolarHBondContact O-CG2 3.43Å; V48-V52 PolarHBondContact O-N 2.99Å; V49-V52 PolarHBondContact O-N 3.48Å; H50-V52 VanDerWaalsContact C-N 3.33Å; H50-V52 PolarHBondContact O-N 3.28Å; V52-A56 WeakPolarHBondContact O-CB 3.28Å; V52-A56 PolarHBondContact O-N 2.94Å
53T80Confident77.6Confident79 Ų79101.6 Ų101.649%0.48554%0.543SS..Hα-helixtrans-64.8-50.1175.1-53.20000110.4V49 H50 G51 V55 A56 E57V49-T53 PolarHBondContact O-N 2.91Å; V49-T53 PolarHBondContact O-OG1 3.37Å; V49-T53 VanDerWaalsContact O-OG1 3.05Å; H50-T53 PolarHBondContact O-N 3.49Å; G51-T53 VanDerWaalsContact C-N 3.3Å; G51-T53 PolarHBondContact O-N 2.88Å; T53-V55 VanDerWaalsContact C-N 3.35Å; T53-V55 PolarHBondContact O-N 2.94Å; T53-A56 WeakPolarHBondContact O-CB 3.39Å; T53-A56 PolarHBondContact O-N 2.81Å; T53-E57 PolarHBondContact O-N 2.85Å; T53-E57 VanDerWaalsContact O-N 3.09Å
54T80.9Confident78.6Confident56 Ų5697.1 Ų97.134%0.34453%0.53SS..Hα-helixtrans-62.5-40.5176.5-53.40000112.4H50 G51 K58H50-T54 PolarHBondContact O-N 3.43Å; H50-T54 PolarHBondContact O-OG1 3.01Å; G51-T54 PolarHBondContact O-N 3.36Å; T54-K58 WeakPolarHBondContact O-CG 3.38Å; T54-K58 PolarHBondContact O-N 2.92Å; T54-K58 VanDerWaalsContact O-N 3.13Å
55V86.6Confident79.3Confident84 Ų8498.8 Ų98.851%0.50954%0.537SS..Hα-helixtrans-66.4-41.2175.6170.60000110G51 T53 E57 K58 T59G51-V55 WeakPolarHBondContact O-CB 3.32Å; G51-V55 WeakPolarHBondContact O-CG2 3.4Å; G51-V55 PolarHBondContact O-N 3.37Å; T53-V55 VanDerWaalsContact C-N 3.35Å; T53-V55 PolarHBondContact O-N 2.94Å; V55-E57 VanDerWaalsContact C-N 3.31Å; V55-E57 PolarHBondContact O-N 3.22Å; V55-K58 CarbonylContact O-C 3.58Å; V55-K58 PolarHBondContact O-N 3.4Å; V55-T59 WeakPolarHBondContact O-CA 3.33Å; V55-T59 WeakPolarHBondContact O-CB 3.27Å; V55-T59 PolarHBondContact O-N 2.82Å; V55-T59 PolarHBondContact O-OG1 3.27Å
56A80.6Confident80.3Confident56 Ų5695.8 Ų95.846%0.46353%0.531SS..Hα-helixtrans-60.3-41178.500000111.8V52 T53 T59 K60V52-A56 WeakPolarHBondContact O-CB 3.28Å; V52-A56 PolarHBondContact O-N 2.94Å; T53-A56 WeakPolarHBondContact O-CB 3.39Å; T53-A56 PolarHBondContact O-N 2.81Å; A56-T59 PolarHBondContact O-N 2.81Å; A56-K60 PolarHBondContact O-N 3.35Å
57E83.9Confident81.1Confident134 Ų13489.3 Ų89.363%0.62651%0.51SS*.Hα-helixtrans-62.2-50.7173.5-69.9-178.2163.100111.7T53 V55 T59 K60 E61T53-E57 PolarHBondContact O-N 2.85Å; T53-E57 VanDerWaalsContact O-N 3.09Å; V55-E57 VanDerWaalsContact C-N 3.31Å; V55-E57 PolarHBondContact O-N 3.22Å; E57-T59 VanDerWaalsContact C-N 3.31Å; E57-T59 PolarHBondContact O-N 3.4Å; E57-K60 WeakPolarHBondContact O-CB 3.25Å; E57-K60 PolarHBondContact O-N 2.92Å; E57-E61 PolarHBondContact O-N 2.99Å
58K86.7Confident81.7Confident127 Ų12792.7 Ų92.755%0.55251%0.511SS*.Hα-helixtrans-62-37.4176.2-70.1-178.6178.6-1740112.8T54 V55 K60 E61 Q62T54-K58 WeakPolarHBondContact O-CG 3.38Å; T54-K58 PolarHBondContact O-N 2.92Å; T54-K58 VanDerWaalsContact O-N 3.13Å; V55-K58 CarbonylContact O-C 3.58Å; V55-K58 PolarHBondContact O-N 3.4Å; K58-K60 VanDerWaalsContact C-N 3.33Å; K58-E61 PolarHBondContact O-N 2.75Å; K58-Q62 WeakPolarHBondContact O-CG 3.3Å; K58-Q62 PolarHBondContact O-N 2.89Å
59T82.9Confident82.1Confident58 Ų5892.1 Ų92.136%0.35651%0.514SS..Hα-helixtrans-67.8-34.9178-660000110.3V55 A56 E57 E61 Q62 V63V55-T59 WeakPolarHBondContact O-CA 3.33Å; V55-T59 WeakPolarHBondContact O-CB 3.27Å; V55-T59 PolarHBondContact O-N 2.82Å; V55-T59 PolarHBondContact O-OG1 3.27Å; A56-T59 PolarHBondContact O-N 2.81Å; E57-T59 VanDerWaalsContact C-N 3.31Å; E57-T59 PolarHBondContact O-N 3.4Å; T59-E61 VanDerWaalsContact C-N 3.33Å; T59-E61 PolarHBondContact O-N 2.82Å; T59-Q62 PolarHBondContact O-N 3.36Å; T59-V63 HydrophobicContact CG2-CG2 3.78Å; T59-V63 VanDerWaalsContact O-CB 3.26Å; T59-V63 WeakPolarHBondContact O-CB 3.23Å; T59-V63 WeakPolarHBondContact O-CG2 3.29Å; T59-V63 PolarHBondContact O-N 3.17Å
60K83.1Confident82.9Confident156 Ų15691.8 Ų91.868%0.67851%0.512SS*.Hα-helixtrans-60.3-43.9174.4-174.3-178.9177-176.50111.7A56 E57 K58 V63 T64A56-K60 PolarHBondContact O-N 3.35Å; E57-K60 WeakPolarHBondContact O-CB 3.25Å; E57-K60 PolarHBondContact O-N 2.92Å; K58-K60 VanDerWaalsContact C-N 3.33Å; K60-V63 PolarHBondContact O-N 2.76Å; K60-T64 PolarHBondContact O-N 3.39Å; K60-T64 PolarHBondContact O-OG1 3.26Å
61E81Confident83.4Confident136 Ų13689.4 Ų89.464%0.63651%0.508SS*.Hα-helixtrans-63.6-46174.6-65.9179.3172.200111.2E57 K58 T59 V63 T64 N65E57-E61 PolarHBondContact O-N 2.99Å; K58-E61 PolarHBondContact O-N 2.75Å; T59-E61 VanDerWaalsContact C-N 3.33Å; T59-E61 PolarHBondContact O-N 2.82Å; E61-V63 PolarHBondContact O-N 3.47Å; E61-T64 WeakPolarHBondContact O-CB 3.25Å; E61-T64 PolarHBondContact O-N 3.4Å; E61-N65 PolarHBondContact O-N 3.42Å
62Q77.8Confident83.9Confident122 Ų12292.4 Ų92.457%0.5752%0.52SS*.Hα-helixtrans-63.6-41.1177-71.4-176.315.200113K58 T59 T64 N65 V66K58-Q62 WeakPolarHBondContact O-CG 3.3Å; K58-Q62 PolarHBondContact O-N 2.89Å; T59-Q62 PolarHBondContact O-N 3.36Å; Q62-T64 VanDerWaalsContact C-N 3.25Å; Q62-T64 PolarHBondContact O-N 3.48Å; Q62-N65 PolarHBondContact O-N 2.83Å; Q62-V66 WeakPolarHBondContact O-CB 3.49Å; Q62-V66 WeakPolarHBondContact O-CG2 3.47Å; Q62-V66 PolarHBondContact O-N 2.91Å
63V80.6Confident84.2Confident91 Ų9190 Ų9055%0.55251%0.512SS*.Hα-helixtrans-64.5-34.8177.4167.50000110.3T59 K60 E61 G67T59-V63 HydrophobicContact CG2-CG2 3.78Å; T59-V63 VanDerWaalsContact O-CB 3.26Å; T59-V63 WeakPolarHBondContact O-CB 3.23Å; T59-V63 WeakPolarHBondContact O-CG2 3.29Å; T59-V63 PolarHBondContact O-N 3.17Å; K60-V63 PolarHBondContact O-N 2.76Å; E61-V63 PolarHBondContact O-N 3.47Å; V63-G67 WeakPolarHBondContact O-CA 3.2Å; V63-G67 PolarHBondContact O-N 2.86Å
64T82.6Confident84.7Confident76 Ų7690.8 Ų90.847%0.46652%0.516SS..Hα-helixtrans-64.9-50.3173.4-53.30000110.3K60 E61 Q62 V66 G67 E68K60-T64 PolarHBondContact O-N 3.39Å; K60-T64 PolarHBondContact O-OG1 3.26Å; E61-T64 WeakPolarHBondContact O-CB 3.25Å; E61-T64 PolarHBondContact O-N 3.4Å; Q62-T64 VanDerWaalsContact C-N 3.25Å; Q62-T64 PolarHBondContact O-N 3.48Å; T64-V66 PolarHBondContact O-N 2.82Å; T64-G67 WeakPolarHBondContact O-CA 3.26Å; T64-G67 PolarHBondContact O-N 2.87Å; T64-G67 VanDerWaalsContact O-N 3.1Å; T64-E68 PolarHBondContact O-N 3.49Å
65N83.6Confident85Confident102 Ų10291.2 Ų91.255%0.54552%0.519SS..Hα-helixtrans-61.3-41.3177.4-65.9-13.6000112.7E61 Q62 G67 E68 A69E61-N65 PolarHBondContact O-N 3.42Å; Q62-N65 PolarHBondContact O-N 2.83Å; N65-G67 VanDerWaalsContact C-N 3.34Å; N65-E68 PolarHBondContact O-N 3.3Å; N65-A69 WeakPolarHBondContact O-CB 3.43Å; N65-A69 PolarHBondContact O-N 2.9Å
66V87Confident85.1Confident91 Ų9189.6 Ų89.655%0.55251%0.514SS*.Hα-helixtrans-66.7-39.3175.3171.30000110.1Q62 T64 A69 V70Q62-V66 WeakPolarHBondContact O-CB 3.49Å; Q62-V66 WeakPolarHBondContact O-CG2 3.47Å; Q62-V66 PolarHBondContact O-N 2.91Å; T64-V66 PolarHBondContact O-N 2.82Å; V66-A69 PolarHBondContact O-N 3.29Å; V66-V70 HydrophobicContact CG1-CG2 4.25Å; V66-V70 WeakPolarHBondContact O-CB 3.46Å; V66-V70 VanDerWaalsContact O-CG2 3.25Å; V66-V70 WeakPolarHBondContact O-CG2 3.31Å; V66-V70 PolarHBondContact O-N 2.95Å
67G84Confident85.7Confident33 Ų3391.3 Ų91.334%0.3452%0.519SS..Hα-helixtrans-58.4-48.6174.300000111.5V63 T64 N65 A69 V70 V71V63-G67 WeakPolarHBondContact O-CA 3.2Å; V63-G67 PolarHBondContact O-N 2.86Å; T64-G67 WeakPolarHBondContact O-CA 3.26Å; T64-G67 PolarHBondContact O-N 2.87Å; T64-G67 VanDerWaalsContact O-N 3.1Å; N65-G67 VanDerWaalsContact C-N 3.34Å; G67-A69 PolarHBondContact O-N 2.92Å; G67-V70 PolarHBondContact O-N 2.82Å; G67-V71 VanDerWaalsContact O-CG2 3.3Å; G67-V71 WeakPolarHBondContact O-CG2 3.36Å; G67-V71 PolarHBondContact O-N 3.41Å
68E84.9Confident85.8Confident123 Ų12387.4 Ų87.458%0.57551%0.51SS*.Hα-helixtrans-61.5-41.6174.5-69.7-176.9167.400112.2T64 N65 V70 V71 T72T64-E68 PolarHBondContact O-N 3.49Å; N65-E68 PolarHBondContact O-N 3.3Å; E68-V70 PolarHBondContact O-N 3.45Å; E68-V71 PolarHBondContact O-N 3.01Å; E68-T72 VanDerWaalsContact O-CB 3.31Å; E68-T72 WeakPolarHBondContact O-CB 3.32Å; E68-T72 PolarHBondContact O-N 2.9Å; E68-T72 PolarHBondContact O-OG1 3.29Å
69A86.9Confident86Confident61 Ų6187 Ų8750%0.50451%0.51SS..Hα-helixtrans-64.5-39.6176.900000112.2N65 V66 G67 G73N65-A69 WeakPolarHBondContact O-CB 3.43Å; N65-A69 PolarHBondContact O-N 2.9Å; V66-A69 PolarHBondContact O-N 3.29Å; G67-A69 PolarHBondContact O-N 2.92Å; A69-G73 PolarHBondContact O-N 3.47Å
70V90.5Very high86.4Confident86 Ų8691.8 Ų91.852%0.52153%0.525SS..Hα-helixtrans-65.5-46.3175170.60000110.2V66 G67 E68 T72 G73 V74V66-V70 HydrophobicContact CG1-CG2 4.25Å; V66-V70 WeakPolarHBondContact O-CB 3.46Å; V66-V70 VanDerWaalsContact O-CG2 3.25Å; V66-V70 WeakPolarHBondContact O-CG2 3.31Å; V66-V70 PolarHBondContact O-N 2.95Å; G67-V70 PolarHBondContact O-N 2.82Å; E68-V70 PolarHBondContact O-N 3.45Å; V70-T72 VanDerWaalsContact C-N 3.35Å; V70-T72 PolarHBondContact O-N 3.45Å; V70-G73 PolarHBondContact O-N 3.1Å; V70-V74 HydrophobicContact CG1-CG2 4.3Å; V70-V74 WeakPolarHBondContact O-CB 3.48Å; V70-V74 VanDerWaalsContact O-CG2 3.27Å; V70-V74 WeakPolarHBondContact O-CG2 3.28Å; V70-V74 PolarHBondContact O-N 3.4Å
71V86.9Confident86.7Confident92 Ų9288.5 Ų88.556%0.55852%0.519SS*.Hα-helixtrans-61.5-44.5177.4171.70000111G67 E68 V74 T75G67-V71 VanDerWaalsContact O-CG2 3.3Å; G67-V71 WeakPolarHBondContact O-CG2 3.36Å; G67-V71 PolarHBondContact O-N 3.41Å; E68-V71 PolarHBondContact O-N 3.01Å; V71-V74 PolarHBondContact O-N 2.66Å; V71-T75 WeakPolarHBondContact O-CB 3.15Å; V71-T75 PolarHBondContact O-N 2.78Å; V71-T75 PolarHBondContact O-OG1 2.85Å
72T89.1Confident87.1Confident93 Ų9387.1 Ų87.157%0.57152%0.519SS*.Hα-helixtrans-62-44.5176.2-57.20000110.7E68 V70 T75 A76E68-T72 VanDerWaalsContact O-CB 3.31Å; E68-T72 WeakPolarHBondContact O-CB 3.32Å; E68-T72 PolarHBondContact O-N 2.9Å; E68-T72 PolarHBondContact O-OG1 3.29Å; V70-T72 VanDerWaalsContact C-N 3.35Å; V70-T72 PolarHBondContact O-N 3.45Å; T72-T75 PolarHBondContact O-N 2.92Å; T72-A76 VanDerWaalsContact O-CB 3.27Å; T72-A76 WeakPolarHBondContact O-CB 3.06Å; T72-A76 PolarHBondContact O-N 3.23Å
73G89Confident87.6Confident34 Ų3487.9 Ų87.935%0.35152%0.523SS..Hα-helixtrans-62-47.317700000112.6A69 V70 T75 A76 V77A69-G73 PolarHBondContact O-N 3.47Å; V70-G73 PolarHBondContact O-N 3.1Å; G73-T75 VanDerWaalsContact C-N 3.34Å; G73-T75 PolarHBondContact O-N 3.24Å; G73-A76 PolarHBondContact O-N 2.87Å; G73-V77 WeakPolarHBondContact O-CB 3.48Å; G73-V77 VanDerWaalsContact O-CG2 3.23Å; G73-V77 WeakPolarHBondContact O-CG2 3.35Å; G73-V77 PolarHBondContact O-N 2.99Å
74V89.4Confident87.8Confident95 Ų9585 Ų8558%0.57651%0.511SS*.Hα-helixtrans-61.9-43.91771710000110.7V70 V71 V77 A78V70-V74 HydrophobicContact CG1-CG2 4.3Å; V70-V74 WeakPolarHBondContact O-CB 3.48Å; V70-V74 VanDerWaalsContact O-CG2 3.27Å; V70-V74 WeakPolarHBondContact O-CG2 3.28Å; V70-V74 PolarHBondContact O-N 3.4Å; V71-V74 PolarHBondContact O-N 2.66Å; V74-V77 PolarHBondContact O-N 2.77Å; V74-A78 WeakPolarHBondContact O-CB 3.13Å; V74-A78 PolarHBondContact O-N 3.29Å
75T87.9Confident87.9Confident66 Ų6684 Ų8441%0.40551%0.511SS..Hα-helixtrans-63-47.3178-560000111.2V71 T72 G73 V77 A78 Q79V71-T75 WeakPolarHBondContact O-CB 3.15Å; V71-T75 PolarHBondContact O-N 2.78Å; V71-T75 PolarHBondContact O-OG1 2.85Å; T72-T75 PolarHBondContact O-N 2.92Å; G73-T75 VanDerWaalsContact C-N 3.34Å; G73-T75 PolarHBondContact O-N 3.24Å; T75-V77 PolarHBondContact O-N 3.5Å; T75-A78 PolarHBondContact O-N 2.81Å; T75-Q79 WeakPolarHBondContact O-CB 3.41Å; T75-Q79 WeakPolarHBondContact O-CG 3.33Å; T75-Q79 PolarHBondContact O-N 3.47Å
76A89.5Confident87.8Confident49 Ų4981.1 Ų81.141%0.40551%0.505SS..Hα-helixtrans-63.7-40.8178.600000112.1T72 G73 K80T72-A76 VanDerWaalsContact O-CB 3.27Å; T72-A76 WeakPolarHBondContact O-CB 3.06Å; T72-A76 PolarHBondContact O-N 3.23Å; G73-A76 PolarHBondContact O-N 2.87Å; A76-K80 WeakPolarHBondContact O-CB 3.39Å; A76-K80 PolarHBondContact O-N 2.97Å
77V91.4Very high87.8Confident93 Ų9380.7 Ų80.756%0.56451%0.506SS*.Hα-helixtrans-63.6-47.2174.4170.60000110.3G73 V74 T75 Q79 K80 T81G73-V77 WeakPolarHBondContact O-CB 3.48Å; G73-V77 VanDerWaalsContact O-CG2 3.23Å; G73-V77 WeakPolarHBondContact O-CG2 3.35Å; G73-V77 PolarHBondContact O-N 2.99Å; V74-V77 PolarHBondContact O-N 2.77Å; T75-V77 PolarHBondContact O-N 3.5Å; V77-Q79 PolarHBondContact O-N 3.42Å; V77-K80 PolarHBondContact O-N 3.47Å; V77-T81 VanDerWaalsContact O-CB 3.27Å; V77-T81 WeakPolarHBondContact O-CB 3.45Å; V77-T81 PolarHBondContact O-N 2.95Å; V77-T81 PolarHBondContact O-OG1 2.92Å
78A87.6Confident87.8Confident52 Ų5284.4 Ų84.443%0.4352%0.517SS..Hα-helixtrans-60.2-48.5179.400000112.1V74 T75 T81 V82V74-A78 WeakPolarHBondContact O-CB 3.13Å; V74-A78 PolarHBondContact O-N 3.29Å; T75-A78 PolarHBondContact O-N 2.81Å; A78-T81 PolarHBondContact O-N 3.44Å; A78-V82 WeakPolarHBondContact O-CG2 3.19Å; A78-V82 PolarHBondContact O-N 3.46Å
79Q89.6Confident87.7Confident118 Ų11880 Ų8055%0.55150%0.501SS*.Hα-helixtrans-59.6-50.4176.8-73.6177.3-27.100111.2T75 V77 T81 V82 E83T75-Q79 WeakPolarHBondContact O-CB 3.41Å; T75-Q79 WeakPolarHBondContact O-CG 3.33Å; T75-Q79 PolarHBondContact O-N 3.47Å; V77-Q79 PolarHBondContact O-N 3.42Å; Q79-T81 VanDerWaalsContact C-N 3.31Å; Q79-T81 PolarHBondContact O-N 2.92Å; Q79-V82 PolarHBondContact O-N 3.18Å; Q79-E83 WeakPolarHBondContact O-CG 3.21Å; Q79-E83 PolarHBondContact O-N 2.78Å
80K91.5Very high87.4Confident158 Ų15880.1 Ų80.169%0.68750%0.503SS*.Hα-helixtrans-66.1-32-179.1-168.3171.8-175.6175.10112.9A76 V77 G84A76-K80 WeakPolarHBondContact O-CB 3.39Å; A76-K80 PolarHBondContact O-N 2.97Å; V77-K80 PolarHBondContact O-N 3.47Å; K80-G84 PolarHBondContact O-N 3.02Å
81T89.6Confident87Confident88 Ų8880.3 Ų80.354%0.5451%0.513SS..Hα-helixtrans-68.9-41.7174.5-66.60000111.3V77 A78 Q79 G84 A85V77-T81 VanDerWaalsContact O-CB 3.27Å; V77-T81 WeakPolarHBondContact O-CB 3.45Å; V77-T81 PolarHBondContact O-N 2.95Å; V77-T81 PolarHBondContact O-OG1 2.92Å; A78-T81 PolarHBondContact O-N 3.44Å; Q79-T81 VanDerWaalsContact C-N 3.31Å; Q79-T81 PolarHBondContact O-N 2.92Å; T81-G84 PolarHBondContact O-N 3.38Å; T81-A85 VanDerWaalsContact O-CB 3.26Å; T81-A85 WeakPolarHBondContact O-CB 3.38Å; T81-A85 PolarHBondContact O-N 3.39Å
82V89.3Confident86.7Confident106 Ų10679.5 Ų79.564%0.64251%0.508SS*.Hα-helixtrans-66.1-46.2176.1172.90000110.8A78 Q79 G84 A85 G86A78-V82 WeakPolarHBondContact O-CG2 3.19Å; A78-V82 PolarHBondContact O-N 3.46Å; Q79-V82 PolarHBondContact O-N 3.18Å; V82-G84 PolarHBondContact O-N 3.42Å; V82-A85 PolarHBondContact O-N 3.27Å; V82-G86 PolarHBondContact O-N 3.49Å
83E87.8Confident86.3Confident139 Ų13977.7 Ų77.765%0.6551%0.508SS*.Hα-helixtrans-60.9-44175-72174.3-172.800111.8Q79 G86 S87Q79-E83 WeakPolarHBondContact O-CG 3.21Å; Q79-E83 PolarHBondContact O-N 2.78Å; E83-G86 PolarHBondContact O-N 3.26Å; E83-S87 WeakPolarHBondContact O-CB 3.49Å; E83-S87 PolarHBondContact O-N 3.23Å
84G85.5Confident85.8Confident29 Ų2983.9 Ų83.930%0.29953%0.526SS..Hα-helixtrans-63-44.3176.700000112.4K80 T81 V82 S87 I88K80-G84 PolarHBondContact O-N 3.02Å; T81-G84 PolarHBondContact O-N 3.38Å; V82-G84 PolarHBondContact O-N 3.42Å; G84-S87 PolarHBondContact O-N 2.72Å; G84-I88 WeakPolarHBondContact O-CD1 3.25Å; G84-I88 VanDerWaalsContact O-CG1 3.23Å; G84-I88 WeakPolarHBondContact O-CG1 3.29Å; G84-I88 PolarHBondContact O-N 3.02Å
85A84.2Confident85.1Confident57 Ų5781.6 Ų81.647%0.47152%0.522SS..Hα-helixtrans-63-42.6175.500000111.6T81 V82 I88 A89T81-A85 VanDerWaalsContact O-CB 3.26Å; T81-A85 WeakPolarHBondContact O-CB 3.38Å; T81-A85 PolarHBondContact O-N 3.39Å; V82-A85 PolarHBondContact O-N 3.27Å; A85-I88 PolarHBondContact O-N 3.48Å; A85-A89 WeakPolarHBondContact O-CB 3.43Å; A85-A89 PolarHBondContact O-N 3.02Å
86G83Confident84.4Confident41 Ų4188.8 Ų88.842%0.42355%0.547SS..Hα-helixtrans-62.1-41.4174.200000112.4V82 E83 A89 A90V82-G86 PolarHBondContact O-N 3.49Å; E83-G86 PolarHBondContact O-N 3.26Å; G86-A89 PolarHBondContact O-N 2.89Å; G86-A90 VanDerWaalsContact O-CB 3.31Å; G86-A90 WeakPolarHBondContact O-CB 3.34Å; G86-A90 PolarHBondContact O-N 3.05Å
87S86.8Confident83.6Confident81 Ų8194.1 Ų94.157%0.56656%0.561SS**Hα-helixtrans-64.2-40.7175.7-176.90000112.1E83 G84 A90 A91E83-S87 WeakPolarHBondContact O-CB 3.49Å; E83-S87 PolarHBondContact O-N 3.23Å; G84-S87 PolarHBondContact O-N 2.72Å; S87-A90 PolarHBondContact O-N 3.19Å; S87-A91 VanDerWaalsContact O-CB 3.27Å; S87-A91 WeakPolarHBondContact O-CB 3.45Å; S87-A91 PolarHBondContact O-N 3.37Å
88I84.3Confident82.6Confident112 Ų11297 Ų9757%0.57457%0.574SS**Hα-helixtrans-66.4-44.6175.1-65.9161.4000110.7G84 A85 A90 A91 T92G84-I88 WeakPolarHBondContact O-CD1 3.25Å; G84-I88 VanDerWaalsContact O-CG1 3.23Å; G84-I88 WeakPolarHBondContact O-CG1 3.29Å; G84-I88 PolarHBondContact O-N 3.02Å; A85-I88 PolarHBondContact O-N 3.48Å; I88-A90 VanDerWaalsContact C-N 3.31Å; I88-A90 PolarHBondContact O-N 3.05Å; I88-A91 PolarHBondContact O-N 3.19Å; I88-T92 HydrophobicContact CG2-CG2 4.32Å; I88-T92 WeakPolarHBondContact O-CB 3.3Å; I88-T92 VanDerWaalsContact O-CG2 3.31Å; I88-T92 WeakPolarHBondContact O-CG2 3.12Å; I88-T92 PolarHBondContact O-N 3.43Å; I88-T92 PolarHBondContact O-OG1 3.22Å
89A81.3Confident81.4Confident29 Ų29102 Ų10224%0.2459%0.588CS.*Hα-helixtrans-61.4-40.6176.700000111.9A85 G86 T92 G93 F94A85-A89 WeakPolarHBondContact O-CB 3.43Å; A85-A89 PolarHBondContact O-N 3.02Å; G86-A89 PolarHBondContact O-N 2.89Å; A89-T92 WeakPolarHBondContact CA-OG1 3.2Å; A89-T92 PolarHBondContact O-OG1 2.78Å; A89-G93 PolarHBondContact O-N 3.08Å; A89-F94 HydrophobicContact CB-CE1 3.98Å; A89-F94 HydrophobicContact CB-CZ 4.08Å; A89-F94 PolarHBondContact O-N 3.21Å
90A81.2Confident79.9Confident65 Ų65106.3 Ų106.354%0.53761%0.61SS.*Hα-helixtrans-66.7-43.3174.800000112.2G86 S87 I88 G93G86-A90 VanDerWaalsContact O-CB 3.31Å; G86-A90 WeakPolarHBondContact O-CB 3.34Å; G86-A90 PolarHBondContact O-N 3.05Å; S87-A90 PolarHBondContact O-N 3.19Å; I88-A90 VanDerWaalsContact C-N 3.31Å; I88-A90 PolarHBondContact O-N 3.05Å; A90-G93 PolarHBondContact O-N 3.09Å; A90-G93 VanDerWaalsContact O-N 3.13Å
91A81.1Confident78.4Confident90 Ų90101.5 Ų101.574%0.74461%0.606SS**Hα-helixtrans-68.5-33.4179.200000113.1S87 I88 G93S87-A91 VanDerWaalsContact O-CB 3.27Å; S87-A91 WeakPolarHBondContact O-CB 3.45Å; S87-A91 PolarHBondContact O-N 3.37Å; I88-A91 PolarHBondContact O-N 3.19Å; A91-G93 PolarHBondContact O-N 3.13Å
92T81.9Confident77Confident74 Ų74107 Ų10745%0.45462%0.623SS.*THydrogen-bonded Turntrans-77.6-5.6173.252.80000112.9I88 A89 F94 G95I88-T92 HydrophobicContact CG2-CG2 4.32Å; I88-T92 WeakPolarHBondContact O-CB 3.3Å; I88-T92 VanDerWaalsContact O-CG2 3.31Å; I88-T92 WeakPolarHBondContact O-CG2 3.12Å; I88-T92 PolarHBondContact O-N 3.43Å; I88-T92 PolarHBondContact O-OG1 3.22Å; A89-T92 WeakPolarHBondContact CA-OG1 3.2Å; A89-T92 PolarHBondContact O-OG1 2.78Å; T92-F94 PolarHBondContact O-N 3.19Å; T92-G95 PolarHBondContact O-N 3.49Å
93G80.3Confident75.8Confident55 Ų55105.4 Ų105.457%0.56763%0.627SS**THydrogen-bonded Turntrans64.123.1176.700000114A89 A90 A91 G95A89-G93 PolarHBondContact O-N 3.08Å; A90-G93 PolarHBondContact O-N 3.09Å; A90-G93 VanDerWaalsContact O-N 3.13Å; A91-G93 PolarHBondContact O-N 3.13Å; G93-G95 PolarHBondContact O-N 3.38Å; G93-G95 VanDerWaalsContact O-N 3.16Å
94F79.3Confident74.2Confident164 Ų164108 Ų10872%0.71964%0.639SS**THydrogen-bonded Turntrans55.126.8-175.3-61.7-91.7000114.3A89 T92 K96A89-F94 HydrophobicContact CB-CE1 3.98Å; A89-F94 HydrophobicContact CB-CZ 4.08Å; A89-F94 PolarHBondContact O-N 3.21Å; T92-F94 PolarHBondContact O-N 3.19Å; F94-K96 PolarHBondContact O-N 3.45Å
95G73.9Confident73.1Confident47 Ų47116 Ų11649%0.48567%0.669SS.*  trans-66.5128.1176.700000112T92 G93 K97T92-G95 PolarHBondContact O-N 3.49Å; G93-G95 PolarHBondContact O-N 3.38Å; G93-G95 VanDerWaalsContact O-N 3.16Å; G95-K97 VanDerWaalsContact C-N 3.29Å
96K73.5Confident71.9Confident218 Ų218116.5 Ų116.595%0.94868%0.68SS**SBendtrans-69.8-26.8173.3-76.9-174.7179.5-178.40113F94F94-K96 PolarHBondContact O-N 3.45Å
97K72.2Confident70.8Confident160 Ų160118.9 Ų118.970%0.69670%0.695SS**SBendtrans-143.9134.9177.3-72.8-177.1179.4172.10109G95 H99G95-K97 VanDerWaalsContact C-N 3.29Å; K97-H99 PolarHBondContact O-N 3.39Å
98D69.7Low69.6Low155 Ų155121.2 Ų121.283%0.82971%0.712SS**  trans-74.470.8170.9-62.4-58.2000110.2
99H63.9Low69.1Low155 Ų155124.8 Ų124.872%0.71873%0.726SS**  trans-100.6106.4172.2-91.5-64000110.3K97 G101K97-H99 PolarHBondContact O-N 3.39Å; H99-G101 PolarHBondContact O-N 2.7Å
100M56.9Low68.8Low209 Ų209133.1 Ų133.1100%1.0376%0.76SS**  trans-82.490.1163-92.7-175.6172.500109
101G59.8Low68.7Low58 Ų58133.5 Ų133.560%0.59877%0.77SS**SBendtrans165.8139.1173.800000111.2H99 G103H99-G101 PolarHBondContact O-N 2.7Å; G101-G103 PolarHBondContact O-N 2.75Å
102K61.3Low68.6Low204 Ų204137.4 Ų137.489%0.88778%0.777SS**  trans-65.6123.9162.4-75.7-174.4173.4-176.20106E104K102-E104 VanDerWaalsContact C-N 3.35Å; K102-E104 PolarHBondContact O-N 2.8Å
103G63.3Low68.5Low72 Ų72141.1 Ų141.174%0.74279%0.793SS**  trans-58.3103.9167.700000107.4G101 E105G101-G103 PolarHBondContact O-N 2.75Å; G103-E105 PolarHBondContact O-N 3.34Å
104E55.4Low68.5Low193 Ų193148 Ų14890%0.90281%0.81SS**  trans-71.990.4169.5-78.1-173.9129.500106.8K102 G106K102-E104 VanDerWaalsContact C-N 3.35Å; K102-E104 PolarHBondContact O-N 2.8Å; E104-G106 PolarHBondContact O-N 3.28Å
105E63Low68.8Low197 Ų197146.7 Ų146.792%0.92181%0.811SS**  trans-74.599.4166.4-72.5-176.1167.500107.8G103G103-E105 PolarHBondContact O-N 3.34Å
106G58.2Low69.2Low68 Ų68152 Ų15270%0.70183%0.825SS**  trans-100137.4175.600000112E104E104-G106 PolarHBondContact O-N 3.28Å
107A60.7Low69.8Low90 Ų90147.4 Ų147.474%0.74482%0.818SS**SBendtrans53.2109.6171.500000117Q109A107-Q109 PolarHBondContact O-N 2.69Å; A107-Q109 VanDerWaalsContact O-N 3.16Å
108S61.4Low70.5Confident130 Ų130146.3 Ų146.391%0.90982%0.824SS**  trans-53.2115.8168.146.30000111.2
109Q72.7Confident71.1Confident188 Ų188143.2 Ų143.288%0.87981%0.807SS**  trans-106.6121168.6-67.3-174-3100108.4A107A107-Q109 PolarHBondContact O-N 2.69Å; A107-Q109 VanDerWaalsContact O-N 3.16Å
110E75.3Confident72.2Confident204 Ų204141.4 Ų141.495%0.95381%0.809SS**  trans-89.4129.3166.7-73.2-174.7156.800108.8
111G78.4Confident73.7Confident73 Ų73137.1 Ų137.175%0.75379%0.791SS**  trans-154.7147.7175.800000109.7
112I80Confident74.9Confident171 Ų171140 Ų14088%0.87779%0.792SS**  trans-91.6126.3171.2-60.9169.8000106.4E114I112-E114 PolarHBondContact O-N 3.32Å
113L79.3Confident75.9Confident152 Ų152138.9 Ų138.980%0.79679%0.79SS**  trans-72.5123168.7-65.4172.3000107.7D115L113-D115 PolarHBondContact O-N 3.07Å
114E81.1Confident77Confident200 Ų200138.4 Ų138.494%0.93578%0.779SS**SBendtrans-67.6-27.5175.2-69.3-173160.800112I112I112-E114 PolarHBondContact O-N 3.32Å
115D85.4Confident78.3Confident136 Ų136140.8 Ų140.873%0.72778%0.782SS**SBendtrans-83.5126.1177-153.717.7000109.7L113L113-D115 PolarHBondContact O-N 3.07Å
116M82Confident79.3Confident160 Ų160139.2 Ų139.279%0.78877%0.774SS**PPolyproline II helixtrans-64.3137.5175.1-67.9-172.6-60.800108.8V118M116-V118 PolarHBondContact O-N 3.38Å
117P85.1Confident80.4Confident121 Ų121140.8 Ų140.879%0.78676%0.764SS**PPolyproline II helixtrans-59.4137.6176.826-33.2000109.5D119P117-D119 PolarHBondContact O-N 2.99Å
118V87.2Confident81.5Confident137 Ų137140 Ų14083%0.8375%0.752SS**  trans-67.7104.3167.1-179.50000106.4M116 P120M116-V118 PolarHBondContact O-N 3.38Å; V118-P120 VanDerWaalsContact O-CD 3.28Å; V118-P120 WeakPolarHBondContact O-CD 3.27Å
119D83.3Confident82.6Confident90 Ų90139.1 Ų139.148%0.48175%0.745SS.*  trans-78.6111.4169-157.3-34.5000108.1P117 D121P117-D119 PolarHBondContact O-N 2.99Å; D119-D121 PolarHBondContact O-N 2.92Å; D119-D121 WeakPolarHBondContact OD1-CB 3.35Å; D119-D121 PolarHBondContact OD1-N 3.33Å
120P86.8Confident83.2Confident116 Ų116139 Ų13975%0.75375%0.745SS**SBendtrans-69.5-21.4177.131.4-35.7000111.6V118V118-P120 VanDerWaalsContact O-CD 3.28Å; V118-P120 WeakPolarHBondContact O-CD 3.27Å
121D87.4Confident83.3Confident120 Ų120136.1 Ų136.164%0.64273%0.731SS**SBendtrans-82125.7177.7-64.5-36.7000108.2D119 E123D119-D121 PolarHBondContact O-N 2.92Å; D119-D121 WeakPolarHBondContact OD1-CB 3.35Å; D119-D121 PolarHBondContact OD1-N 3.33Å; D121-E123 PolarHBondContact O-N 3.42Å
122N84.8Confident83.2Confident119 Ų119134.8 Ų134.864%0.63672%0.718SS**  trans-71.11.5-178.5-169.431.7000113.1A124N122-A124 WeakPolarHBondContact O-CB 3.39Å; N122-A124 PolarHBondContact O-N 3.46Å
123E83.8Confident83.1Confident180 Ų180135 Ų13584%0.84171%0.709SS**SBendtrans42.124.4-172.3-62.8-158.1140.100115.2D121D121-E123 PolarHBondContact O-N 3.42Å
124A85.9Confident83.2Confident61 Ų61135 Ų13550%0.50471%0.705SS.*SBendtrans-132.9142.5-174.600000109.8N122 E126N122-A124 WeakPolarHBondContact O-CB 3.39Å; N122-A124 PolarHBondContact O-N 3.46Å; A124-E126 PolarHBondContact O-N 3.36Å
125Y83.4Confident83.5Confident244 Ų244132.9 Ų132.996%0.95770%0.7SS**  trans-67.4104.7164.7-79.6-82.3000108.3
126E82.3Confident83.5Confident163 Ų163134.4 Ų134.476%0.76270%0.697SS**PPolyproline II helixtrans-80.8124.2170.9-166.4172.6-17800109A124A124-E126 PolarHBondContact O-N 3.36Å
127M82.4Confident83.3Confident101 Ų101134.6 Ų134.650%0.49870%0.696SS.*PPolyproline II helixtrans-62132.2174-72.2-75.8-68.500108.8S129 E131M127-S129 PolarHBondContact O-N 2.92Å; M127-E131 WeakPolarHBondContact CE-OE2 3.34Å
128P83.7Confident83.2Confident74 Ų74134.4 Ų134.448%0.48169%0.694SS.*PPolyproline II helixtrans-59.2134.4177.825.1-32.5000109.4E130 E131P128-E130 PolarHBondContact O-N 3.24Å; P128-E131 HydrophobicContact CG-CG 4.5Å; P128-E131 PolarHBondContact O-N 3.46Å; P128-E131 VanDerWaalsContact O-N 3.16Å
129S85.4Confident82.7Confident111 Ų111136.7 Ų136.778%0.77670%0.696SS**G310 helixtrans-61.7-12.6179.653.10000113.7M127 E131 G132M127-S129 PolarHBondContact O-N 2.92Å; S129-E131 VanDerWaalsContact C-N 3.28Å; S129-E131 PolarHBondContact O-N 2.81Å; S129-G132 PolarHBondContact O-N 3.29Å
130E84.8Confident81.8Confident187 Ų187139.8 Ų139.887%0.87473%0.734SS**G310 helixtrans-61.8-29.3173.4-66.9-168.4158.400113.5P128 G132P128-E130 PolarHBondContact O-N 3.24Å; E130-G132 PolarHBondContact O-N 3.35Å
131E76Confident81.5Confident142 Ų142141 Ų14166%0.66473%0.734SS**G310 helixtrans-70.6-18.8179.3-69.8-158.617700112.8M127 P128 S129M127-E131 WeakPolarHBondContact CE-OE2 3.34Å; P128-E131 HydrophobicContact CG-CG 4.5Å; P128-E131 PolarHBondContact O-N 3.46Å; P128-E131 VanDerWaalsContact O-N 3.16Å; S129-E131 VanDerWaalsContact C-N 3.28Å; S129-E131 PolarHBondContact O-N 2.81Å
132G76.3Confident81.2Confident46 Ų46142.1 Ų142.147%0.47474%0.738SS.*  trans60.1165.4-174.500000112.4S129 E130S129-G132 PolarHBondContact O-N 3.29Å; E130-G132 PolarHBondContact O-N 3.35Å
133Y79.4Confident81Confident175 Ų175143.4 Ų143.469%0.68674%0.744SS**  trans-115.7131.3170-64.7-85.5000107.4D135Y133-D135 PolarHBondContact O-N 3.29Å
134Q82Confident80.9Confident152 Ų152141.2 Ų141.271%0.7174%0.738SS**  trans-77.4106.1171.6-76-177.8600108.3Y136Q134-Y136 PolarHBondContact O-N 3.11Å
135D86.3Confident80.6Confident156 Ų156146.3 Ų146.383%0.83475%0.753SS**  trans-81.36.1179-66.8-27000113.6Y133Y133-D135 PolarHBondContact O-N 3.29Å
136Y84.9Confident80.4Confident168 Ų168139.7 Ų139.766%0.65974%0.739SS**SBendtrans-131.5135.4-17951.7-88.5000111.1Q134Q134-Y136 PolarHBondContact O-N 3.11Å
137E77.5Confident80.2Confident164 Ų164138.1 Ų138.177%0.76674%0.738SS**  trans-72.5138.5168-87.2-175.1144.200109.8E139E137-E139 PolarHBondContact O-N 3.05Å; E137-E139 VanDerWaalsContact O-N 3.15Å
138P83.1Confident80.1Confident116 Ų116140.9 Ų140.975%0.75376%0.756SS**THydrogen-bonded Turntrans-69.9-4.4178.927.4-34.2000114.6
139E77.8Confident79.8Confident185 Ų185146.5 Ų146.586%0.86478%0.779SS**THydrogen-bonded Turntrans-11118.6-168.2-68.7-105.5158.200114.8E137E137-E139 PolarHBondContact O-N 3.05Å; E137-E139 VanDerWaalsContact O-N 3.15Å
140A63.7Low79.2Confident156 Ų156149.7 Ų149.7100%1.28978%0.78SS**  trans-102.70170.800000112.2

Retrieved 140 of 140 residues in 55.1 ms (Link to these results)