A0A087XH77_POEFO Loading...

5'-(N(7)-methylguanosine 5'-triphospho)-[mRNA] hydrolase

AlphaFold DB , UniProt , Accession A0A087XH77, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 602 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
1M44.7Very low48.6Very low221 Ų22199.4 Ų99.4100%1.08960%0.6SS**  0-48.20-64-179.986.200112.6S3 A4M1-S3 PolarHBondContact O-N 3.23Å; M1-A4 PolarHBondContact O-N 3.38Å
2S44.4Very low49.7Very low99 Ų9995.8 Ų95.869%0.69259%0.589SS**Hα-helixtrans-52.4-43.6-174.5-154.20000115.8A4 A5 S6S2-A4 VanDerWaalsContact C-N 3.29Å; S2-A4 PolarHBondContact O-N 3.31Å; S2-A5 PolarHBondContact O-N 3.49Å; S2-A5 VanDerWaalsContact O-N 3.09Å; S2-S6 PolarHBondContact O-N 3.46Å; S2-S6 PolarHBondContact O-OG 2.94Å
3S41.4Very low51.1Low82 Ų8295.9 Ų95.957%0.57358%0.576SS**Hα-helixtrans-57.9-32.7-176.547.70000115.1M1 A5 S6 N7M1-S3 PolarHBondContact O-N 3.23Å; S3-A5 VanDerWaalsContact C-N 3.35Å; S3-S6 PolarHBondContact O-N 2.85Å; S3-N7 PolarHBondContact O-N 3.36Å; S3-N7 VanDerWaalsContact O-N 3.09Å; S3-N7 PolarHBondContact O-OD1 3.32Å
4A43.6Very low53Low68 Ų6891.4 Ų91.456%0.56256%0.559SS**Hα-helixtrans-67.3-36.5178.600000112.1M1 S2 S8M1-A4 PolarHBondContact O-N 3.38Å; S2-A4 VanDerWaalsContact C-N 3.29Å; S2-A4 PolarHBondContact O-N 3.31Å; A4-S8 PolarHBondContact O-N 3.2Å; A4-S8 PolarHBondContact O-OG 2.96Å
5A45.9Very low55.2Low61 Ų6190.2 Ų90.250%0.50455%0.548SS..Hα-helixtrans-73.7-35177.500000112.2S2 S3 S8 Y9S2-A5 PolarHBondContact O-N 3.49Å; S2-A5 VanDerWaalsContact O-N 3.09Å; S3-A5 VanDerWaalsContact C-N 3.35Å; A5-S8 PolarHBondContact O-OG 2.88Å; A5-Y9 WeakPolarHBondContact O-CB 3.32Å; A5-Y9 PolarHBondContact O-N 3.01Å; A5-Y9 VanDerWaalsContact O-N 3.09Å
6S44.8Very low57.3Low61 Ų6190.8 Ų90.843%0.42755%0.547SS..Hα-helixtrans-62.3-44.4171.9-51.50000111.5S2 S3 Y9 L10S2-S6 PolarHBondContact O-N 3.46Å; S2-S6 PolarHBondContact O-OG 2.94Å; S3-S6 PolarHBondContact O-N 2.85Å; S6-Y9 PolarHBondContact O-N 2.79Å; S6-L10 WeakPolarHBondContact O-CG 3.38Å; S6-L10 PolarHBondContact O-N 2.83Å; S6-L10 VanDerWaalsContact O-N 3.1Å
7N48.9Very low59.5Low110 Ų11092.6 Ų92.659%0.58855%0.551SS**Hα-helixtrans-68.8-40.6179.9-71.75.9000112.3S3 L10 A11S3-N7 PolarHBondContact O-N 3.36Å; S3-N7 VanDerWaalsContact O-N 3.09Å; S3-N7 PolarHBondContact O-OD1 3.32Å; N7-L10 PolarHBondContact O-N 3.48Å; N7-A11 WeakPolarHBondContact O-CB 3.32Å; N7-A11 PolarHBondContact O-N 3.31Å
8S57Low61.4Low73 Ų7388.8 Ų88.851%0.5153%0.53SS..Hα-helixtrans-67.3-35.9176.964.20000112.6A4 A5 A11 A12A4-S8 PolarHBondContact O-N 3.2Å; A4-S8 PolarHBondContact O-OG 2.96Å; A5-S8 PolarHBondContact O-OG 2.88Å; S8-A11 PolarHBondContact O-N 3.44Å; S8-A12 WeakPolarHBondContact O-CB 3.14Å; S8-A12 PolarHBondContact O-N 2.82Å
9Y44.8Very low63.1Low143 Ų14385.6 Ų85.656%0.56151%0.51SS*.Hα-helixtrans-67.8-39.2175.3-176.1-116.7000112.8A5 S6 K13A5-Y9 WeakPolarHBondContact O-CB 3.32Å; A5-Y9 PolarHBondContact O-N 3.01Å; A5-Y9 VanDerWaalsContact O-N 3.09Å; S6-Y9 PolarHBondContact O-N 2.79Å; Y9-K13 HydrophobicContact CE1-CD 4.2Å; Y9-K13 PolarHBondContact O-N 3.48Å; Y9-K13 VanDerWaalsContact O-N 3.09Å; Y9-K13 WeakPolarHBondContact OH-CE 3.31Å; Y9-K13 PolarHBondContact OH-NZ 3.29Å
10L56.2Low64.7Low116 Ų11684.1 Ų84.161%0.60750%0.503SS*.Hα-helixtrans-69-39.2173.6-71.2173.4000112S6 N7 K13 G14S6-L10 WeakPolarHBondContact O-CG 3.38Å; S6-L10 PolarHBondContact O-N 2.83Å; S6-L10 VanDerWaalsContact O-N 3.1Å; N7-L10 PolarHBondContact O-N 3.48Å; L10-K13 PolarHBondContact O-N 2.62Å; L10-G14 PolarHBondContact O-N 3.06Å
11A62.6Low66.1Low59 Ų5982 Ų8249%0.48850%0.496SS..Hα-helixtrans-62.7-44.4173.500000111.9N7 S8 K13 G14 L15N7-A11 WeakPolarHBondContact O-CB 3.32Å; N7-A11 PolarHBondContact O-N 3.31Å; S8-A11 PolarHBondContact O-N 3.44Å; A11-K13 VanDerWaalsContact C-N 3.34Å; A11-K13 PolarHBondContact O-N 2.83Å; A11-G14 PolarHBondContact O-N 3.14Å; A11-G14 VanDerWaalsContact O-N 3.15Å; A11-L15 WeakPolarHBondContact O-CG 3.3Å; A11-L15 PolarHBondContact O-N 3.27Å
12A62.5Low68.5Low56 Ų5672 Ų7246%0.46345%0.447SS..Hα-helixtrans-59.8-41.6175.700000112.3S8 L15 D16S8-A12 WeakPolarHBondContact O-CB 3.14Å; S8-A12 PolarHBondContact O-N 2.82Å; A12-L15 PolarHBondContact O-N 2.9Å; A12-D16 PolarHBondContact O-N 3.28Å
13K67.3Low71Confident98 Ų9870.7 Ų70.743%0.42643%0.429SS..Hα-helixtrans-66-37.6173-76.9-175.3171179.70113.4Y9 L10 A11 L15 D16 I17Y9-K13 HydrophobicContact CE1-CD 4.2Å; Y9-K13 PolarHBondContact O-N 3.48Å; Y9-K13 VanDerWaalsContact O-N 3.09Å; Y9-K13 WeakPolarHBondContact OH-CE 3.31Å; Y9-K13 PolarHBondContact OH-NZ 3.29Å; L10-K13 PolarHBondContact O-N 2.62Å; A11-K13 VanDerWaalsContact C-N 3.34Å; A11-K13 PolarHBondContact O-N 2.83Å; K13-L15 VanDerWaalsContact C-N 3.29Å; K13-L15 PolarHBondContact O-N 3.36Å; K13-D16 PolarHBondContact O-N 3.03Å; K13-I17 WeakPolarHBondContact O-CG1 3.36Å; K13-I17 PolarHBondContact O-N 3.44Å; K13-I17 VanDerWaalsContact O-N 3.15Å
14G77.9Confident73.6Confident33 Ų3377.3 Ų77.334%0.3444%0.442SS..Hα-helixtrans-63.2-36.2173.700000112.7L10 A11 S18L10-G14 PolarHBondContact O-N 3.06Å; A11-G14 PolarHBondContact O-N 3.14Å; A11-G14 VanDerWaalsContact O-N 3.15Å; G14-S18 WeakPolarHBondContact O-CB 3.5Å; G14-S18 PolarHBondContact O-N 2.92Å; G14-S18 PolarHBondContact O-OG 2.93Å
15L86.8Confident75.9Confident73 Ų7381.2 Ų81.238%0.38245%0.448SS..Hα-helixtrans-68.7-39.8174.5-70.2170000112.5A11 A12 K13 S18 L19 I32 V35A11-L15 WeakPolarHBondContact O-CG 3.3Å; A11-L15 PolarHBondContact O-N 3.27Å; A12-L15 PolarHBondContact O-N 2.9Å; K13-L15 VanDerWaalsContact C-N 3.29Å; K13-L15 PolarHBondContact O-N 3.36Å; L15-S18 CarbonylContact O-C 3.54Å; L15-S18 WeakPolarHBondContact O-CB 3.47Å; L15-S18 PolarHBondContact O-N 3.48Å; L15-L19 WeakPolarHBondContact O-CB 3.26Å; L15-L19 PolarHBondContact O-N 3.32Å; L15-I32 HydrophobicContact CD2-CD1 4.24Å; L15-I32 HydrophobicContact CD2-CG2 4.29Å; L15-V35 HydrophobicContact CD2-CG2 3.61Å
16D88.8Confident78.2Confident100 Ų10079.8 Ų79.854%0.53543%0.433SS..Hα-helixtrans-62.7-45.2176.7-176.438000112.4A12 K13 S18 L19 S20A12-D16 PolarHBondContact O-N 3.28Å; K13-D16 PolarHBondContact O-N 3.03Å; D16-S18 VanDerWaalsContact C-N 3.3Å; D16-S18 PolarHBondContact O-N 3.34Å; D16-L19 PolarHBondContact O-N 2.96Å; D16-S20 WeakPolarHBondContact O-CB 3.46Å; D16-S20 PolarHBondContact O-N 3.21Å; D16-S20 PolarHBondContact O-OG 2.94Å
17I93.4Very high80.6Confident121 Ų12181.9 Ų81.962%0.62145%0.445SS*.Hα-helixtrans-61.2-40.5172.4-64.3165.8000110.9K13 A21K13-I17 WeakPolarHBondContact O-CG1 3.36Å; K13-I17 PolarHBondContact O-N 3.44Å; K13-I17 VanDerWaalsContact O-N 3.15Å; I17-A21 WeakPolarHBondContact O-CB 3.49Å; I17-A21 PolarHBondContact O-N 3.13Å
18S93.9Very high82.9Confident25 Ų2582.8 Ų82.818%0.17544%0.441CS..Hα-helixtrans-68-44.1178.4-58.10000112G14 L15 D16 A21 L22G14-S18 WeakPolarHBondContact O-CB 3.5Å; G14-S18 PolarHBondContact O-N 2.92Å; G14-S18 PolarHBondContact O-OG 2.93Å; L15-S18 CarbonylContact O-C 3.54Å; L15-S18 WeakPolarHBondContact O-CB 3.47Å; L15-S18 PolarHBondContact O-N 3.48Å; D16-S18 VanDerWaalsContact C-N 3.3Å; D16-S18 PolarHBondContact O-N 3.34Å; S18-A21 WeakPolarHBondContact O-CB 3.48Å; S18-A21 PolarHBondContact O-N 2.82Å; S18-A21 VanDerWaalsContact O-N 3.17Å; S18-L22 WeakPolarHBondContact O-CG 3.36Å; S18-L22 PolarHBondContact O-N 3.24Å
19L94.9Very high84.8Confident27 Ų2779.7 Ų79.714%0.14142%0.418CS..Hα-helixtrans-60.8-45.9176.417760.3000110.6L15 D16 A21 L22 Q23 I29 I32L15-L19 WeakPolarHBondContact O-CB 3.26Å; L15-L19 PolarHBondContact O-N 3.32Å; D16-L19 PolarHBondContact O-N 2.96Å; L19-A21 VanDerWaalsContact C-N 3.3Å; L19-A21 PolarHBondContact O-N 3.48Å; L19-L22 PolarHBondContact O-N 2.66Å; L19-Q23 HydrophobicContact CD1-CG 4.24Å; L19-Q23 WeakPolarHBondContact O-CB 3.26Å; L19-Q23 WeakPolarHBondContact O-CG 3.42Å; L19-Q23 PolarHBondContact O-N 2.98Å; L19-I29 HydrophobicContact CD1-CG2 3.78Å; L19-I32 HydrophobicContact CB-CD1 3.93Å; L19-I32 HydrophobicContact CB-CG1 4.42Å; L19-I32 HydrophobicContact CD1-CG1 4.32Å
20S95.1Very high87.2Confident55 Ų5576.9 Ų76.939%0.38541%0.413SS..Hα-helixtrans-58.5-39.6174-62.80000112.4D16 R24D16-S20 WeakPolarHBondContact O-CB 3.46Å; D16-S20 PolarHBondContact O-N 3.21Å; D16-S20 PolarHBondContact O-OG 2.94Å; S20-R24 WeakPolarHBondContact O-CG 3.2Å; S20-R24 PolarHBondContact O-N 3.46Å
21A93.8Very high89Confident42 Ų4275.5 Ų75.535%0.34741%0.406SS..Hα-helixtrans-67.5-40.6175.900000112.4I17 S18 L19 R24I17-A21 WeakPolarHBondContact O-CB 3.49Å; I17-A21 PolarHBondContact O-N 3.13Å; S18-A21 WeakPolarHBondContact O-CB 3.48Å; S18-A21 PolarHBondContact O-N 2.82Å; S18-A21 VanDerWaalsContact O-N 3.17Å; L19-A21 VanDerWaalsContact C-N 3.3Å; L19-A21 PolarHBondContact O-N 3.48Å; A21-R24 PolarHBondContact O-N 3.38Å
22L95.5Very high90.6Very high10 Ų1073.6 Ų73.65%0.05239%0.388CS..Hα-helixtrans-66.7-42.1175.6-66.7-178.2000112.2S18 L19 R24 Q25 D26 I29 I32 F61 Y63 T74 M76S18-L22 WeakPolarHBondContact O-CG 3.36Å; S18-L22 PolarHBondContact O-N 3.24Å; L19-L22 PolarHBondContact O-N 2.66Å; L22-R24 PolarHBondContact O-N 2.96Å; L22-Q25 WeakPolarHBondContact O-CA 3.23Å; L22-Q25 PolarHBondContact O-N 3.2Å; L22-D26 PolarHBondContact O-N 3.13Å; L22-I29 HydrophobicContact CB-CD1 3.92Å; L22-I29 HydrophobicContact CB-CG2 4.48Å; L22-I32 HydrophobicContact CD1-CD1 4.46Å; L22-I32 HydrophobicContact CD1-CG1 4.32Å; L22-F61 HydrophobicContact CD1-CB 4.04Å; L22-F61 HydrophobicContact CD1-CD1 4.47Å; L22-F61 HydrophobicContact CD1-CG 4.14Å; L22-Y63 HydrophobicContact CD1-CD1 4.39Å; L22-T74 HydrophobicContact CD1-CG2 4.3Å; L22-T74 HydrophobicContact CD2-CG2 3.64Å; L22-M76 HydrophobicContact CD2-CG 3.96Å; L22-M76 HydrophobicContact CD2-SD 3.7Å; L22-M76 HydrophobicContact CG-SD 4.48Å
23Q96.1Very high92.2Very high71 Ų7173.3 Ų73.333%0.33238%0.38SS..Hα-helixtrans-63.4-27.3177.5-76.6173.6-22.900113.4L19 Q25 D26 I29L19-Q23 HydrophobicContact CD1-CG 4.24Å; L19-Q23 WeakPolarHBondContact O-CB 3.26Å; L19-Q23 WeakPolarHBondContact O-CG 3.42Å; L19-Q23 PolarHBondContact O-N 2.98Å; Q23-Q25 PolarHBondContact O-N 2.82Å; Q23-D26 CarbonylContact O-C 3.58Å; Q23-I29 HydrophobicContact CG-CB 4.21Å; Q23-I29 HydrophobicContact CG-CG2 4.41Å; Q23-I29 WeakPolarHBondContact CG-O 3.26Å; Q23-I29 PolarHBondContact NE2-O 3.33Å
24R95.1Very high93.6Very high222 Ų22269.8 Ų69.884%0.83837%0.366SS*.THydrogen-bonded Turntrans-68.1-21170.9-73.6175.965.2-138.3-4.4113.6S20 A21 L22S20-R24 WeakPolarHBondContact O-CG 3.2Å; S20-R24 PolarHBondContact O-N 3.46Å; A21-R24 PolarHBondContact O-N 3.38Å; L22-R24 PolarHBondContact O-N 2.96Å
25Q91.8Very high94.4Very high149 Ų14969.9 Ų69.970%0.69636%0.36SS*.THydrogen-bonded Turntrans-96.8-33.6175.7-178.15887.400112.2L22 Q23L22-Q25 WeakPolarHBondContact O-CA 3.23Å; L22-Q25 PolarHBondContact O-N 3.2Å; Q23-Q25 PolarHBondContact O-N 2.82Å
26D94.6Very high94.9Very high32 Ų3266.4 Ų66.417%0.17134%0.342CS..  trans-143.598.8176.4179.57.4000110.8L22 Q23 Y28 I29 R65L22-D26 PolarHBondContact O-N 3.13Å; Q23-D26 CarbonylContact O-C 3.58Å; D26-Y28 PolarHBondContact O-N 2.82Å; D26-Y28 WeakPolarHBondContact OD1-CD2 3.41Å; D26-Y28 PolarHBondContact OD1-N 3.45Å; D26-I29 HydrophobicContact CB-CD1 3.86Å; D26-I29 HydrophobicContact CB-CG1 3.99Å; D26-I29 WeakPolarHBondContact O-CB 3.08Å; D26-I29 PolarHBondContact O-N 2.65Å; D26-R65 IonicContact OD1-CZ 2.65Å; D26-R65 IonicContact OD1-NE 3.01Å; D26-R65 IonicContact OD1-NH2 3.88Å; D26-R65 PolarHBondContact OD1-NH2 3.11Å; D26-R65 IonicContact OD2-CZ 2.82Å; D26-R65 IonicContact OD2-NE 2.9Å; D26-R65 PolarHBondContact OD2-NE 2.84Å; D26-R65 IonicContact OD2-NH2 3.21Å; D26-R65 PolarHBondContact OD2-NH2 3.23Å
27P95.8Very high95.2Very high105 Ų10565.6 Ų65.668%0.68234%0.344SS*.THydrogen-bonded Turntrans-61.1-11.9-178-26.836.1000115.3I29P27-I29 VanDerWaalsContact C-N 3.32Å
28Y96.8Very high95.3Very high129 Ų12962.9 Ų62.951%0.50633%0.329SS..THydrogen-bonded Turntrans-82.3-7.9175.9-62.9-77.3000113.3D26 N30 R65 L66 A67D26-Y28 PolarHBondContact O-N 2.82Å; D26-Y28 WeakPolarHBondContact OD1-CD2 3.41Å; D26-Y28 PolarHBondContact OD1-N 3.45Å; Y28-N30 PolarHBondContact O-N 3.1Å; Y28-R65 CarbonylContact O-C 3.39Å; Y28-R65 WeakPolarHBondContact O-CA 3.43Å; Y28-L66 PolarHBondContact O-N 3Å; Y28-A67 HydrophobicContact CD1-CB 3.64Å; Y28-A67 HydrophobicContact CE1-CB 4.12Å; Y28-A67 HydrophobicContact CG-CB 3.9Å
29I96.6Very high95.5Very high8 Ų861.7 Ų61.74%0.04132%0.32CS..EExtended strand (participates in β ladder)trans-67.6121.5177.9-68.7177.3000110.1L19 L22 Q23 D26 P27 Y63 R65L19-I29 HydrophobicContact CD1-CG2 3.78Å; L22-I29 HydrophobicContact CB-CD1 3.92Å; L22-I29 HydrophobicContact CB-CG2 4.48Å; Q23-I29 HydrophobicContact CG-CB 4.21Å; Q23-I29 HydrophobicContact CG-CG2 4.41Å; Q23-I29 WeakPolarHBondContact CG-O 3.26Å; Q23-I29 PolarHBondContact NE2-O 3.33Å; D26-I29 HydrophobicContact CB-CD1 3.86Å; D26-I29 HydrophobicContact CB-CG1 3.99Å; D26-I29 WeakPolarHBondContact O-CB 3.08Å; D26-I29 PolarHBondContact O-N 2.65Å; P27-I29 VanDerWaalsContact C-N 3.32Å; I29-Y63 HydrophobicContact CD1-CD1 4.31Å; I29-Y63 HydrophobicContact CD1-CD2 4.02Å; I29-Y63 HydrophobicContact CD1-CE1 4.29Å; I29-Y63 HydrophobicContact CD1-CE2 4.02Å; I29-Y63 HydrophobicContact CD1-CG 4.17Å; I29-Y63 HydrophobicContact CG1-CD2 3.86Å; I29-Y63 HydrophobicContact CG1-CE2 4.06Å; I29-Y63 HydrophobicContact CG1-CG 4.34Å; I29-Y63 HydrophobicContact CG2-CD2 4.42Å; I29-Y63 HydrophobicContact CG2-CG 4.3Å; I29-R65 HydrophobicContact CG1-CG 4.23Å
30N95.2Very high95.6Very high83 Ų8360.5 Ų60.544%0.44431%0.314SS..EExtended strand (participates in β ladder)trans-96-51-173.718062.8000112.5Y28 T64 L66Y28-N30 PolarHBondContact O-N 3.1Å; N30-T64 PolarHBondContact N-O 3.29Å; N30-L66 HydrophobicContact CB-CD2 3.84Å; N30-L66 HydrophobicContact CB-CG 4.06Å
31N95.3Very high95.7Very high87 Ų8758.1 Ų58.147%0.46530%0.297SS..EExtended strand (participates in β ladder)trans-155.9147.5-176.3-173.220.8000111.4Y63 T64N31-Y63 CarbonylContact O-C 3.57Å; N31-Y63 WeakPolarHBondContact O-CA 3.45Å; N31-T64 PolarHBondContact N-OG1 2.93Å; N31-T64 VanDerWaalsContact N-OG1 3.17Å; N31-T64 PolarHBondContact O-N 2.9Å; N31-T64 PolarHBondContact O-OG1 3.42Å; N31-T64 VanDerWaalsContact O-OG1 3.07Å
32I95.9Very high95.9Very high19 Ų1958.9 Ų58.910%0.09729%0.291CS..EExtended strand (participates in β ladder)trans-76.3129169.5-66.1165.1000108.8L15 L19 L22 V35 F61L15-I32 HydrophobicContact CD2-CD1 4.24Å; L15-I32 HydrophobicContact CD2-CG2 4.29Å; L19-I32 HydrophobicContact CB-CD1 3.93Å; L19-I32 HydrophobicContact CB-CG1 4.42Å; L19-I32 HydrophobicContact CD1-CG1 4.32Å; L22-I32 HydrophobicContact CD1-CD1 4.46Å; L22-I32 HydrophobicContact CD1-CG1 4.32Å; I32-V35 HydrophobicContact CG2-CG2 3.51Å; I32-F61 HydrophobicContact CD1-CD1 3.79Å; I32-F61 HydrophobicContact CD1-CE1 4.06Å; I32-F61 HydrophobicContact CG1-CD1 4.26Å; I32-F61 HydrophobicContact CG2-CD1 4.15Å
33V95.8Very high96Very high51 Ų5159.8 Ų59.831%0.30930%0.297SS..EExtended strand (participates in β ladder)trans-90.9-40.9179.7179.50000111.5I62 T64 R127V33-I62 HydrophobicContact CB-CB 4.28Å; V33-I62 HydrophobicContact CB-CG2 3.99Å; V33-I62 HydrophobicContact CG1-CG2 4.44Å; V33-I62 HydrophobicContact CG2-CG2 4.42Å; V33-I62 PolarHBondContact N-O 3.36Å; V33-T64 HydrophobicContact CG2-CG2 3.68Å; V33-R127 HydrophobicContact CG1-CG 4.03Å
34D95.9Very high96Very high24 Ų2457 Ų5713%0.12828%0.284CS..EExtended strand (participates in β ladder)trans-163.3153.7-174.5-126.3-33.9000110.2I62 R123 I124 R127D34-I62 HydrophobicContact CB-CB 4.36Å; D34-I62 HydrophobicContact CB-CD1 4.13Å; D34-I62 HydrophobicContact CB-CG1 4.49Å; D34-I62 PolarHBondContact N-O 2.97Å; D34-I62 PolarHBondContact O-N 2.74Å; D34-R123 IonicContact OD1-CZ 3.47Å; D34-R123 IonicContact OD1-NH1 3.56Å; D34-R123 PolarHBondContact OD1-NH1 2.87Å; D34-R123 IonicContact OD2-NH1 2.65Å; D34-I124 HydrophobicContact CB-CD1 3.9Å; D34-R127 HydrophobicContact CB-CG 4.28Å; D34-R127 IonicContact OD2-CZ 3.45Å; D34-R127 VanDerWaalsContact OD2-CZ 3.26Å; D34-R127 IonicContact OD2-NE 3.98Å; D34-R127 PolarHBondContact OD2-NE 2.79Å; D34-R127 IonicContact OD2-NH2 2.64Å; D34-R127 PolarHBondContact OD2-NH2 3.46Å
35V96.4Very high95.8Very high35 Ų3547.7 Ų47.721%0.21225%0.251CS..EExtended strand (participates in β ladder)trans-135147.3-176.6-175.70000111.1L15 I32 T59 L60 F61 R123L15-V35 HydrophobicContact CD2-CG2 3.61Å; I32-V35 HydrophobicContact CG2-CG2 3.51Å; V35-T59 HydrophobicContact CG1-CG2 3.83Å; V35-L60 CarbonylContact C-O 3.53Å; V35-L60 VanDerWaalsContact CA-O 3.29Å; V35-L60 WeakPolarHBondContact CA-O 3.45Å; V35-L60 WeakPolarHBondContact CG1-O 3.4Å; V35-F61 HydrophobicContact CB-CD1 4.4Å; V35-F61 HydrophobicContact CG1-CD1 4.06Å; V35-F61 HydrophobicContact CG1-CE1 3.91Å; V35-F61 HydrophobicContact CG1-CZ 4.41Å; V35-F61 HydrophobicContact CG2-CD1 3.54Å; V35-F61 HydrophobicContact CG2-CE1 3.84Å; V35-F61 HydrophobicContact CG2-CG 4.49Å; V35-R123 VanDerWaalsContact O-CZ 3.28Å; V35-R123 PolarHBondContact O-NH1 3.31Å; V35-R123 PolarHBondContact O-NH2 3.31Å
36A96.8Very high95.6Very high0 Ų044.8 Ų44.80%024%0.24CC..EExtended strand (participates in β ladder)trans-127.1136.9165.400000111.8V39 T59 L60 F115 D120 I124A36-V39 HydrophobicContact CB-CG1 4.2Å; A36-T59 WeakPolarHBondContact O-CG2 3.45Å; A36-L60 HydrophobicContact CB-CB 4.27Å; A36-L60 PolarHBondContact N-O 3.45Å; A36-L60 PolarHBondContact O-N 3.32Å; A36-F115 HydrophobicContact CB-CD1 3.92Å; A36-F115 HydrophobicContact CB-CE1 3.76Å; A36-D120 VanDerWaalsContact CA-OD2 3.24Å; A36-D120 WeakPolarHBondContact CA-OD2 3.48Å; A36-D120 HydrophobicContact CB-CB 3.84Å; A36-D120 WeakPolarHBondContact CB-OD2 3.25Å; A36-I124 HydrophobicContact CB-CG1 4.04Å
37S94Very high95.4Very high83 Ų8354.3 Ų54.358%0.5827%0.274SS*.EExtended strand (participates in β ladder)trans-79.3-27.5-159.3-60.70000115.2R78 D120S37-R78 PolarHBondContact O-NH2 3.34Å; S37-D120 PolarHBondContact N-OD2 3.25Å; S37-D120 VanDerWaalsContact N-OD2 3.16Å
38Q96.1Very high95.1Very high64 Ų6451.7 Ų51.730%0.29926%0.26SS..EExtended strand (participates in β ladder)trans-151.9125.1170.2-178.3172.71.400109.7E57 G58 Y116Q38-E57 PolarHBondContact NE2-OE1 2.85Å; Q38-G58 CarbonylContact C-O 3.49Å; Q38-G58 WeakPolarHBondContact CA-O 3.4Å; Q38-Y116 PolarHBondContact O-N 2.89Å; Q38-Y116 VanDerWaalsContact O-N 3.11Å
39V97.8Very high94.7Very high0 Ų047.5 Ų47.50%025%0.247CC..EExtended strand (participates in β ladder)trans-135.1153.5172.8-58.50000111.3A36 E57 G58 L60 I75 I113 W114 F115A36-V39 HydrophobicContact CB-CG1 4.2Å; V39-E57 WeakPolarHBondContact O-CA 3.41Å; V39-E57 WeakPolarHBondContact O-CG 3.26Å; V39-G58 PolarHBondContact N-O 2.92Å; V39-G58 PolarHBondContact O-N 2.61Å; V39-L60 HydrophobicContact CG1-CB 4.08Å; V39-L60 HydrophobicContact CG1-CD1 4.47Å; V39-L60 HydrophobicContact CG2-CB 3.84Å; V39-L60 HydrophobicContact CG2-CD1 4.39Å; V39-I75 HydrophobicContact CG2-CB 4.43Å; V39-I75 HydrophobicContact CG2-CD1 3.8Å; V39-I75 HydrophobicContact CG2-CG1 3.9Å; V39-I75 HydrophobicContact CG2-CG2 3.68Å; V39-I113 HydrophobicContact CB-CG2 3.7Å; V39-I113 HydrophobicContact CG1-CG2 3.97Å; V39-I113 HydrophobicContact CG2-CG2 4.13Å; V39-W114 CarbonylContact C-O 3.59Å; V39-W114 WeakPolarHBondContact CA-O 3.33Å; V39-W114 VanDerWaalsContact CB-O 3.3Å; V39-W114 WeakPolarHBondContact CB-O 3.37Å; V39-F115 HydrophobicContact CG1-CD1 3.46Å; V39-F115 VanDerWaalsContact CG1-CD1 3.46Å; V39-F115 HydrophobicContact CG1-CD2 4.46Å; V39-F115 HydrophobicContact CG1-CE1 3.55Å; V39-F115 HydrophobicContact CG1-CG 3.94Å; V39-F115 HydrophobicContact CG1-CZ 4.1Å
40A97.8Very high94.6Very high1 Ų152 Ų521%0.00827%0.268CS..EExtended strand (participates in β ladder)trans-125.3136.3172.100000110.6Y42 E57 W114A40-Y42 HydrophobicContact CB-CE2 4.01Å; A40-E57 HydrophobicContact CB-CB 4.43Å; A40-E57 HydrophobicContact CB-CG 3.91Å; A40-W114 HydrophobicContact CB-CE3 4.25Å; A40-W114 PolarHBondContact N-O 3.28Å; A40-W114 PolarHBondContact O-N 3.22Å
41L97.9Very high94.6Very high6 Ų653 Ų533%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-97.2134-178.2-179.272.7000112.1T54 V56 I75 L84 Y103 H111 I113L41-T54 WeakPolarHBondContact CB-OG1 3.28Å; L41-T54 HydrophobicContact CD2-CG2 4.29Å; L41-T54 HydrophobicContact CG-CG2 4.25Å; L41-T54 WeakPolarHBondContact O-CB 3.42Å; L41-T54 PolarHBondContact O-N 2.87Å; L41-T54 PolarHBondContact O-OG1 3.1Å; L41-V56 HydrophobicContact CB-CB 4.08Å; L41-V56 HydrophobicContact CB-CG1 4.44Å; L41-V56 HydrophobicContact CD2-CB 4.08Å; L41-V56 HydrophobicContact CD2-CG1 4.45Å; L41-V56 HydrophobicContact CD2-CG2 4.35Å; L41-V56 PolarHBondContact N-O 3.15Å; L41-I75 HydrophobicContact CB-CD1 4.23Å; L41-I75 HydrophobicContact CD1-CD1 4.5Å; L41-L84 HydrophobicContact CD1-CD2 4.1Å; L41-L84 HydrophobicContact CD2-CB 4.36Å; L41-L84 HydrophobicContact CD2-CD1 4.07Å; L41-L84 HydrophobicContact CD2-CD2 3.96Å; L41-L84 HydrophobicContact CD2-CG 4.35Å; L41-Y103 HydrophobicContact CD1-CE1 4.41Å; L41-H111 HydrophobicContact CD1-CB 4.12Å; L41-I113 HydrophobicContact CD1-CG1 4.11Å
42Y97.4Very high94.6Very high58 Ų5852.9 Ų52.923%0.22726%0.262CS..EExtended strand (participates in β ladder)trans-121.3149.1172.8-61.9-100.2000109.6A40 E52 K53 H111 G112 W114A40-Y42 HydrophobicContact CB-CE2 4.01Å; Y42-E52 CarbonylContact C-O 3.57Å; Y42-E52 VanDerWaalsContact CA-O 3.32Å; Y42-E52 WeakPolarHBondContact CA-O 3.38Å; Y42-K53 HydrophobicContact CD1-CB 3.89Å; Y42-K53 HydrophobicContact CD1-CG 4.28Å; Y42-K53 HydrophobicContact CE1-CB 3.66Å; Y42-K53 HydrophobicContact CE1-CD 4.29Å; Y42-K53 HydrophobicContact CE1-CG 3.84Å; Y42-H111 CarbonylContact O-C 3.59Å; Y42-H111 WeakPolarHBondContact O-CA 3.49Å; Y42-G112 PolarHBondContact N-O 3.5Å; Y42-G112 PolarHBondContact O-N 3.45Å; Y42-W114 HydrophobicContact CD2-CB 4.38Å; Y42-W114 HydrophobicContact CE2-CB 3.88Å
43T96.6Very high94.5Very high28 Ų2857.5 Ų57.517%0.17228%0.282CS..EExtended strand (participates in β ladder)trans-117.9139.7174.6-58.40000109.4E52 T54 V109 H111T43-E52 PolarHBondContact N-O 3.08Å; T43-E52 PolarHBondContact O-N 3.4Å; T43-T54 WeakPolarHBondContact OG1-CG2 3.27Å; T43-V109 HydrophobicContact CG2-CG1 3.82Å; T43-H111 PolarHBondContact OG1-CE1 3.14Å; T43-H111 PolarHBondContact OG1-ND1 3.21Å
44Y95.8Very high94.6Very high13 Ų1356.7 Ų56.75%0.05128%0.276CS..EExtended strand (participates in β ladder)trans-94114.4179.9-174.7-110.4000111.3N46 N49 E50 W51 I110 H292 I296Y44-N46 HydrophobicContact CD1-CB 4.41Å; Y44-N46 HydrophobicContact CE1-CB 4.26Å; Y44-N46 PolarHBondContact O-N 3.41Å; Y44-N49 WeakPolarHBondContact OH-CA 3.21Å; Y44-N49 PolarHBondContact OH-ND2 3.06Å; Y44-N49 PolarHBondContact OH-OD1 3.32Å; Y44-N49 VanDerWaalsContact OH-OD1 3.06Å; Y44-E50 VanDerWaalsContact CD2-O 3.26Å; Y44-E50 WeakPolarHBondContact CD2-O 3.37Å; Y44-W51 AromaticContact CD2-CD2 3.82Å; Y44-W51 HydrophobicContact CD2-CD2 3.82Å; Y44-W51 AromaticContact CD2-CE2 3.67Å; Y44-W51 HydrophobicContact CD2-CE3 4.3Å; Y44-W51 HydrophobicContact CD2-CG 4.12Å; Y44-W51 HydrophobicContact CD2-CZ2 4.08Å; Y44-W51 AromaticContact CD2-NE1 3.82Å; Y44-W51 HydrophobicContact CG-CZ2 4.4Å; Y44-I110 WeakPolarHBondContact CB-O 3.42Å; Y44-I110 PolarHBondContact N-O 3.12Å; Y44-H292 AromaticContact CE1-CD2 3.82Å; Y44-H292 AromaticContact CZ-CD2 3.9Å; Y44-H292 PolarHBondContact OH-CD2 3.11Å; Y44-I296 HydrophobicContact CD1-CG2 4.04Å; Y44-I296 HydrophobicContact CD2-CD1 4.08Å; Y44-I296 HydrophobicContact CE1-CD1 4.44Å; Y44-I296 HydrophobicContact CE1-CG2 3.68Å; Y44-I296 HydrophobicContact CE2-CD1 3.8Å
45N92.4Very high94.5Very high26 Ų2662.1 Ų62.114%0.13930%0.301CS..EExtended strand (participates in β ladder)trans-85.195.2177.4-179.9-16.8000110R47 A48 N49 E50 E52N45-R47 PolarHBondContact O-N 3.06Å; N45-R47 WeakPolarHBondContact OD1-CB 3.26Å; N45-R47 PolarHBondContact OD1-N 3.42Å; N45-A48 PolarHBondContact O-N 3.06Å; N45-A48 PolarHBondContact OD1-N 3.37Å; N45-N49 WeakPolarHBondContact O-CA 3.49Å; N45-N49 PolarHBondContact O-N 3.11Å; N45-E50 HydrophobicContact CB-CG 4.34Å; N45-E50 PolarHBondContact N-O 2.95Å; N45-E50 PolarHBondContact O-N 3.35Å; N45-E52 HydrophobicContact CB-CG 4.24Å; N45-E52 WeakPolarHBondContact CB-OE1 3.28Å; N45-E52 PolarHBondContact ND2-OE1 2.91Å
46N87.8Confident94.6Very high89 Ų8961.3 Ų61.348%0.47630%0.296SS..THydrogen-bonded Turntrans-65.8-6.4-179.9-169.765.1000115Y44 H292 M300Y44-N46 HydrophobicContact CD1-CB 4.41Å; Y44-N46 HydrophobicContact CE1-CB 4.26Å; Y44-N46 PolarHBondContact O-N 3.41Å; N46-H292 PolarHBondContact OD1-NE2 3.21Å; N46-H292 VanDerWaalsContact OD1-NE2 3.11Å; N46-M300 WeakPolarHBondContact OD1-CE 3.2Å
47R88.9Confident94.6Very high232 Ų23263.2 Ų63.288%0.87531%0.305SS*.THydrogen-bonded Turntrans-89.5-36.3172.8-65.4-172.9-61.1-103.2-6.5112.5N45N45-R47 PolarHBondContact O-N 3.06Å; N45-R47 WeakPolarHBondContact OD1-CB 3.26Å; N45-R47 PolarHBondContact OD1-N 3.42Å
48A89.3Confident94.8Very high49 Ų4959.3 Ų59.341%0.40528%0.278SS..THydrogen-bonded Turntrans-97.8-6.8177.900000113.3N45 E50N45-A48 PolarHBondContact O-N 3.06Å; N45-A48 PolarHBondContact OD1-N 3.37Å; A48-E50 HydrophobicContact CB-CG 3.84Å; A48-E50 WeakPolarHBondContact CB-OE1 3.38Å; A48-E50 PolarHBondContact O-N 3.32Å
49N89.8Confident94.8Very high41 Ų4157.4 Ų57.422%0.21927%0.271CS..THydrogen-bonded Turntrans63.326-178.3-156.992.6000113.6Y44 N45 L290 H292Y44-N49 WeakPolarHBondContact OH-CA 3.21Å; Y44-N49 PolarHBondContact OH-ND2 3.06Å; Y44-N49 PolarHBondContact OH-OD1 3.32Å; Y44-N49 VanDerWaalsContact OH-OD1 3.06Å; N45-N49 WeakPolarHBondContact O-CA 3.49Å; N45-N49 PolarHBondContact O-N 3.11Å; N49-L290 HydrophobicContact CB-CB 4.27Å; N49-L290 HydrophobicContact CB-CD1 4.38Å; N49-L290 PolarHBondContact OD1-O 3.11Å; N49-H292 PolarHBondContact OD1-CE1 2.94Å; N49-H292 PolarHBondContact OD1-NE2 3.27Å
50E93.6Very high94.8Very high104 Ų10457.4 Ų57.449%0.48627%0.271SS..EExtended strand (participates in β ladder)trans-121.9166.3-171.473.7-169148.200113.7Y44 N45 A48Y44-E50 VanDerWaalsContact CD2-O 3.26Å; Y44-E50 WeakPolarHBondContact CD2-O 3.37Å; N45-E50 HydrophobicContact CB-CG 4.34Å; N45-E50 PolarHBondContact N-O 2.95Å; N45-E50 PolarHBondContact O-N 3.35Å; A48-E50 HydrophobicContact CB-CG 3.84Å; A48-E50 WeakPolarHBondContact CB-OE1 3.38Å; A48-E50 PolarHBondContact O-N 3.32Å
51W95.2Very high94.8Very high102 Ų10257.6 Ų57.639%0.38627%0.272SS..EExtended strand (participates in β ladder)trans-104.2113.7177.2-75.9100.4000110.7Y44 L102 I110 I296Y44-W51 AromaticContact CD2-CD2 3.82Å; Y44-W51 HydrophobicContact CD2-CD2 3.82Å; Y44-W51 AromaticContact CD2-CE2 3.67Å; Y44-W51 HydrophobicContact CD2-CE3 4.3Å; Y44-W51 HydrophobicContact CD2-CG 4.12Å; Y44-W51 HydrophobicContact CD2-CZ2 4.08Å; Y44-W51 AromaticContact CD2-NE1 3.82Å; Y44-W51 HydrophobicContact CG-CZ2 4.4Å; W51-L102 HydrophobicContact CH2-CD2 3.85Å; W51-L102 HydrophobicContact CH2-CG 4.06Å; W51-L102 HydrophobicContact CZ2-CD2 3.72Å; W51-L102 HydrophobicContact CZ2-CG 4.33Å; W51-I110 HydrophobicContact CH2-CG2 4.06Å; W51-I296 HydrophobicContact CZ2-CD1 3.83Å; W51-I296 HydrophobicContact CZ2-CG1 4.16Å
52E95.7Very high94.8Very high86 Ų8657.3 Ų57.340%0.40227%0.27SS..EExtended strand (participates in β ladder)trans-88.2124.6176-64.5171.2174.400109.2Y42 T43 N45Y42-E52 CarbonylContact C-O 3.57Å; Y42-E52 VanDerWaalsContact CA-O 3.32Å; Y42-E52 WeakPolarHBondContact CA-O 3.38Å; T43-E52 PolarHBondContact N-O 3.08Å; T43-E52 PolarHBondContact O-N 3.4Å; N45-E52 HydrophobicContact CB-CG 4.24Å; N45-E52 WeakPolarHBondContact CB-OE1 3.28Å; N45-E52 PolarHBondContact ND2-OE1 2.91Å
53K94.4Very high94.8Very high116 Ų11654.9 Ų54.950%0.50426%0.26SS..EExtended strand (participates in β ladder)trans-71.5131.8168.6-176.8173.9-179.6178.90108.7Y42 E57Y42-K53 HydrophobicContact CD1-CB 3.89Å; Y42-K53 HydrophobicContact CD1-CG 4.28Å; Y42-K53 HydrophobicContact CE1-CB 3.66Å; Y42-K53 HydrophobicContact CE1-CD 4.29Å; Y42-K53 HydrophobicContact CE1-CG 3.84Å; K53-E57 IonicContact NZ-OE2 3.69Å; K53-E57 PolarHBondContact NZ-OE2 3.23Å
54T96.1Very high94.7Very high33 Ų3355 Ų5520%0.20226%0.261CS..EExtended strand (participates in β ladder)trans-92.9165.4172.775.40000111.5L41 T43 V56L41-T54 WeakPolarHBondContact CB-OG1 3.28Å; L41-T54 HydrophobicContact CD2-CG2 4.29Å; L41-T54 HydrophobicContact CG-CG2 4.25Å; L41-T54 WeakPolarHBondContact O-CB 3.42Å; L41-T54 PolarHBondContact O-N 2.87Å; L41-T54 PolarHBondContact O-OG1 3.1Å; T43-T54 WeakPolarHBondContact OG1-CG2 3.27Å; T54-V56 PolarHBondContact O-N 3.13Å; T54-V56 PolarHBondContact OG1-N 3.37Å
55E95.8Very high94.8Very high138 Ų13856.6 Ų56.665%0.64527%0.267SS*.EExtended strand (participates in β ladder)trans-76.88.7173.4-59.6-168.5-174.800114N77 N80E55-N77 PolarHBondContact O-ND2 3.41Å; E55-N77 PolarHBondContact O-OD1 3.26Å; E55-N80 PolarHBondContact OE2-ND2 3.45Å
56V97.6Very high94.9Very high19 Ų1961.5 Ų61.512%0.11529%0.293CS..EExtended strand (participates in β ladder)trans-96.2103.1-179.4-175.80000110.6L41 T54 I75 N77 L84L41-V56 HydrophobicContact CB-CB 4.08Å; L41-V56 HydrophobicContact CB-CG1 4.44Å; L41-V56 HydrophobicContact CD2-CB 4.08Å; L41-V56 HydrophobicContact CD2-CG1 4.45Å; L41-V56 HydrophobicContact CD2-CG2 4.35Å; L41-V56 PolarHBondContact N-O 3.15Å; T54-V56 PolarHBondContact O-N 3.13Å; T54-V56 PolarHBondContact OG1-N 3.37Å; V56-I75 HydrophobicContact CG1-CB 3.88Å; V56-I75 HydrophobicContact CG1-CD1 4.5Å; V56-I75 HydrophobicContact CG1-CG2 3.77Å; V56-N77 HydrophobicContact CG1-CB 4.46Å; V56-L84 HydrophobicContact CG1-CB 4.1Å
57E97.6Very high95Very high40 Ų4058.8 Ų58.819%0.18728%0.283CS..EExtended strand (participates in β ladder)trans-137.4128.6174.4-169.4174.9148.800110.5Q38 V39 A40 K53 N77 R78 L79Q38-E57 PolarHBondContact NE2-OE1 2.85Å; V39-E57 WeakPolarHBondContact O-CA 3.41Å; V39-E57 WeakPolarHBondContact O-CG 3.26Å; A40-E57 HydrophobicContact CB-CB 4.43Å; A40-E57 HydrophobicContact CB-CG 3.91Å; K53-E57 IonicContact NZ-OE2 3.69Å; K53-E57 PolarHBondContact NZ-OE2 3.23Å; E57-N77 PolarHBondContact N-OD1 3.35Å; E57-N77 PolarHBondContact O-OD1 3.04Å; E57-R78 PolarHBondContact O-N 3Å; E57-L79 HydrophobicContact CB-CD1 3.84Å; E57-L79 HydrophobicContact CB-CG 4.21Å
58G96.9Very high94.9Very high1 Ų152.3 Ų52.31%0.0127%0.273CS..EExtended strand (participates in β ladder)trans168.2-145-174.500000115.6Q38 V39 M76Q38-G58 CarbonylContact C-O 3.49Å; Q38-G58 WeakPolarHBondContact CA-O 3.4Å; V39-G58 PolarHBondContact N-O 2.92Å; V39-G58 PolarHBondContact O-N 2.61Å; G58-M76 WeakPolarHBondContact CA-O 3.35Å
59T96.8Very high95.1Very high24 Ų2452.1 Ų52.115%0.14727%0.267CS..EExtended strand (participates in β ladder)trans-95.2128.5-175.9-38.60000110.5V35 A36 F61 I75 M76 R78V35-T59 HydrophobicContact CG1-CG2 3.83Å; A36-T59 WeakPolarHBondContact O-CG2 3.45Å; T59-F61 HydrophobicContact CG2-CD2 4.2Å; T59-F61 HydrophobicContact CG2-CE1 4.42Å; T59-F61 HydrophobicContact CG2-CE2 3.49Å; T59-F61 VanDerWaalsContact CG2-CE2 3.49Å; T59-F61 HydrophobicContact CG2-CZ 3.62Å; T59-I75 CarbonylContact O-C 3.57Å; T59-I75 WeakPolarHBondContact O-CA 3.37Å; T59-M76 PolarHBondContact N-O 2.68Å; T59-M76 PolarHBondContact O-N 2.98Å; T59-R78 PolarHBondContact OG1-NE 2.95Å; T59-R78 PolarHBondContact OG1-NH2 2.83Å
60L97.9Very high95.2Very high0 Ų054.2 Ų54.20%027%0.272CS..EExtended strand (participates in β ladder)trans-91.5131.9173.3-171.4150.8000110.7V35 A36 V39 I62 F73 T74 I75 I113 F115 I124 M128V35-L60 CarbonylContact C-O 3.53Å; V35-L60 VanDerWaalsContact CA-O 3.29Å; V35-L60 WeakPolarHBondContact CA-O 3.45Å; V35-L60 WeakPolarHBondContact CG1-O 3.4Å; A36-L60 HydrophobicContact CB-CB 4.27Å; A36-L60 PolarHBondContact N-O 3.45Å; A36-L60 PolarHBondContact O-N 3.32Å; V39-L60 HydrophobicContact CG1-CB 4.08Å; V39-L60 HydrophobicContact CG1-CD1 4.47Å; V39-L60 HydrophobicContact CG2-CB 3.84Å; V39-L60 HydrophobicContact CG2-CD1 4.39Å; L60-I62 HydrophobicContact CD2-CG1 3.95Å; L60-F73 HydrophobicContact CD1-CD2 4.27Å; L60-T74 CarbonylContact C-O 3.44Å; L60-T74 WeakPolarHBondContact CA-O 3.4Å; L60-I75 HydrophobicContact CB-CG1 4.39Å; L60-I75 HydrophobicContact CD1-CG1 4.16Å; L60-I75 HydrophobicContact CG-CG1 4.31Å; L60-I113 HydrophobicContact CD1-CD1 3.94Å; L60-I113 HydrophobicContact CD1-CG2 4.18Å; L60-F115 HydrophobicContact CD1-CZ 4.28Å; L60-I124 HydrophobicContact CD2-CD1 4.04Å; L60-I124 HydrophobicContact CD2-CG1 4.5Å; L60-I124 HydrophobicContact CD2-CG2 4.12Å; L60-M128 HydrophobicContact CD1-CE 4.25Å; L60-M128 HydrophobicContact CD2-CE 4.12Å
61F97.6Very high95.3Very high5 Ų550.5 Ų50.52%0.02226%0.255CS..EExtended strand (participates in β ladder)trans-122.5129.6171.5-62.3-94.3000110L22 I32 V35 T59 F73 T74 M76L22-F61 HydrophobicContact CD1-CB 4.04Å; L22-F61 HydrophobicContact CD1-CD1 4.47Å; L22-F61 HydrophobicContact CD1-CG 4.14Å; I32-F61 HydrophobicContact CD1-CD1 3.79Å; I32-F61 HydrophobicContact CD1-CE1 4.06Å; I32-F61 HydrophobicContact CG1-CD1 4.26Å; I32-F61 HydrophobicContact CG2-CD1 4.15Å; V35-F61 HydrophobicContact CB-CD1 4.4Å; V35-F61 HydrophobicContact CG1-CD1 4.06Å; V35-F61 HydrophobicContact CG1-CE1 3.91Å; V35-F61 HydrophobicContact CG1-CZ 4.41Å; V35-F61 HydrophobicContact CG2-CD1 3.54Å; V35-F61 HydrophobicContact CG2-CE1 3.84Å; V35-F61 HydrophobicContact CG2-CG 4.49Å; T59-F61 HydrophobicContact CG2-CD2 4.2Å; T59-F61 HydrophobicContact CG2-CE1 4.42Å; T59-F61 HydrophobicContact CG2-CE2 3.49Å; T59-F61 VanDerWaalsContact CG2-CE2 3.49Å; T59-F61 HydrophobicContact CG2-CZ 3.62Å; F61-F73 CarbonylContact O-C 3.58Å; F61-F73 WeakPolarHBondContact O-CA 3.49Å; F61-F73 WeakPolarHBondContact O-CB 3.16Å; F61-T74 HydrophobicContact CB-CG2 4.08Å; F61-T74 PolarHBondContact N-O 3.01Å; F61-T74 PolarHBondContact O-N 2.9Å; F61-M76 HydrophobicContact CD2-CE 4.19Å; F61-M76 HydrophobicContact CD2-CG 4.05Å; F61-M76 HydrophobicContact CE2-CB 4.22Å; F61-M76 HydrophobicContact CE2-CE 3.35Å; F61-M76 HydrophobicContact CE2-CG 3.97Å; F61-M76 HydrophobicContact CE2-SD 4.43Å; F61-M76 HydrophobicContact CZ-CE 3.76Å
62I97.3Very high95.4Very high0 Ų045.6 Ų45.60%024%0.236CC..EExtended strand (participates in β ladder)trans-94.5137.2161.7-55.5177.5000107.3V33 D34 L60 F73 I88 I124 R127 M128 L131V33-I62 HydrophobicContact CB-CB 4.28Å; V33-I62 HydrophobicContact CB-CG2 3.99Å; V33-I62 HydrophobicContact CG1-CG2 4.44Å; V33-I62 HydrophobicContact CG2-CG2 4.42Å; V33-I62 PolarHBondContact N-O 3.36Å; D34-I62 HydrophobicContact CB-CB 4.36Å; D34-I62 HydrophobicContact CB-CD1 4.13Å; D34-I62 HydrophobicContact CB-CG1 4.49Å; D34-I62 PolarHBondContact N-O 2.97Å; D34-I62 PolarHBondContact O-N 2.74Å; L60-I62 HydrophobicContact CD2-CG1 3.95Å; I62-F73 HydrophobicContact CG1-CB 4.25Å; I62-I88 HydrophobicContact CG2-CD1 4.22Å; I62-I124 HydrophobicContact CD1-CD1 3.7Å; I62-I124 HydrophobicContact CD1-CG2 4.24Å; I62-I124 HydrophobicContact CG1-CD1 4.15Å; I62-R127 HydrophobicContact CD1-CB 3.84Å; I62-R127 HydrophobicContact CD1-CG 3.73Å; I62-M128 HydrophobicContact CD1-CE 4.13Å; I62-M128 HydrophobicContact CD1-CG 3.8Å; I62-M128 HydrophobicContact CG1-CE 4.03Å; I62-L131 HydrophobicContact CG2-CD1 3.59Å
63Y97Very high95.5Very high6 Ų641.5 Ų41.52%0.02422%0.217CC..EExtended strand (participates in β ladder)trans-140161.4-178.254.9-100.9000113.2L22 I29 N31 R65 G72 T74 T85L22-Y63 HydrophobicContact CD1-CD1 4.39Å; I29-Y63 HydrophobicContact CD1-CD1 4.31Å; I29-Y63 HydrophobicContact CD1-CD2 4.02Å; I29-Y63 HydrophobicContact CD1-CE1 4.29Å; I29-Y63 HydrophobicContact CD1-CE2 4.02Å; I29-Y63 HydrophobicContact CD1-CG 4.17Å; I29-Y63 HydrophobicContact CG1-CD2 3.86Å; I29-Y63 HydrophobicContact CG1-CE2 4.06Å; I29-Y63 HydrophobicContact CG1-CG 4.34Å; I29-Y63 HydrophobicContact CG2-CD2 4.42Å; I29-Y63 HydrophobicContact CG2-CG 4.3Å; N31-Y63 CarbonylContact O-C 3.57Å; N31-Y63 WeakPolarHBondContact O-CA 3.45Å; Y63-R65 HydrophobicContact CD2-CG 3.87Å; Y63-R65 HydrophobicContact CE2-CG 3.81Å; Y63-G72 PolarHBondContact N-O 3.21Å; Y63-G72 PolarHBondContact O-N 2.89Å; Y63-T74 HydrophobicContact CD1-CG2 4.18Å; Y63-T74 HydrophobicContact CE1-CG2 3.77Å; Y63-T85 WeakPolarHBondContact OH-CG2 3.3Å
64T96.4Very high95.6Very high31 Ų3136.2 Ų36.219%0.1920%0.195CC..EExtended strand (participates in β ladder)trans-96.7152.916850.70000110.9N30 N31 V33 R70N30-T64 PolarHBondContact N-O 3.29Å; N31-T64 PolarHBondContact N-OG1 2.93Å; N31-T64 VanDerWaalsContact N-OG1 3.17Å; N31-T64 PolarHBondContact O-N 2.9Å; N31-T64 PolarHBondContact O-OG1 3.42Å; N31-T64 VanDerWaalsContact O-OG1 3.07Å; V33-T64 HydrophobicContact CG2-CG2 3.68Å; T64-R70 CarbonylContact C-O 3.47Å; T64-R70 VanDerWaalsContact CA-O 3.3Å; T64-R70 WeakPolarHBondContact CA-O 3.5Å
65R96.2Very high95.7Very high47 Ų4734.7 Ų34.718%0.17719%0.185CC..EExtended strand (participates in β ladder)trans-129.6145.9175.5-58.1-179.275.3-123.712111.2D26 Y28 I29 Y63 A67 S68 P69 R70D26-R65 IonicContact OD1-CZ 2.65Å; D26-R65 IonicContact OD1-NE 3.01Å; D26-R65 IonicContact OD1-NH2 3.88Å; D26-R65 PolarHBondContact OD1-NH2 3.11Å; D26-R65 IonicContact OD2-CZ 2.82Å; D26-R65 IonicContact OD2-NE 2.9Å; D26-R65 PolarHBondContact OD2-NE 2.84Å; D26-R65 IonicContact OD2-NH2 3.21Å; D26-R65 PolarHBondContact OD2-NH2 3.23Å; Y28-R65 CarbonylContact O-C 3.39Å; Y28-R65 WeakPolarHBondContact O-CA 3.43Å; I29-R65 HydrophobicContact CG1-CG 4.23Å; Y63-R65 HydrophobicContact CD2-CG 3.87Å; Y63-R65 HydrophobicContact CE2-CG 3.81Å; R65-A67 WeakPolarHBondContact CB-O 3.5Å; R65-A67 PolarHBondContact NH1-O 3Å; R65-A67 PolarHBondContact O-N 3.33Å; R65-S68 PolarHBondContact NH1-O 2.98Å; R65-P69 WeakPolarHBondContact CD-O 3.4Å; R65-R70 PolarHBondContact N-O 3.17Å
66L94.2Very high95.7Very high128 Ų12830.1 Ų30.167%0.6716%0.164SC*.SBendtrans-72.2-18173.3-59.5-179.4000113.1Y28 N30Y28-L66 PolarHBondContact O-N 3Å; N30-L66 HydrophobicContact CB-CD2 3.84Å; N30-L66 HydrophobicContact CB-CG 4.06Å
67A89.8Confident95.6Very high32 Ų3230.1 Ų30.126%0.26416%0.164SC..SBendtrans-120.4151.2178.400000111.3Y28 R65 P69Y28-A67 HydrophobicContact CD1-CB 3.64Å; Y28-A67 HydrophobicContact CE1-CB 4.12Å; Y28-A67 HydrophobicContact CG-CB 3.9Å; R65-A67 WeakPolarHBondContact CB-O 3.5Å; R65-A67 PolarHBondContact NH1-O 3Å; R65-A67 PolarHBondContact O-N 3.33Å; A67-P69 CarbonylContact O-C 3.28Å; A67-P69 VanDerWaalsContact O-C 3.28Å
68S88.6Confident95.5Very high96 Ų9635.1 Ų35.167%0.67118%0.181SC*.SBendtrans-59.8143175.3-65.90000112.3R65R65-S68 PolarHBondContact NH1-O 2.98Å
69P91.7Very high95.3Very high45 Ų4540.3 Ų40.329%0.29221%0.208SC..SBendcis-64.8133-12.7-21.837.1000111R65 A67 H71 P87 T89R65-P69 WeakPolarHBondContact CD-O 3.4Å; A67-P69 CarbonylContact O-C 3.28Å; A67-P69 VanDerWaalsContact O-C 3.28Å; P69-H71 PolarHBondContact O-N 3.31Å; P69-H71 VanDerWaalsContact O-N 3.12Å; P69-P87 HydrophobicContact CB-CB 4.13Å; P69-P87 HydrophobicContact CG-CB 3.79Å; P69-T89 HydrophobicContact CB-CG2 4.5Å; P69-T89 HydrophobicContact CG-CG2 4.12Å
70R93.9Very high95.1Very high85 Ų8541.4 Ų41.432%0.32121%0.213SC..  trans-66.6-14-174.4-70.9167.4-75-109.4-10.3114.1T64 R65 E135T64-R70 CarbonylContact C-O 3.47Å; T64-R70 VanDerWaalsContact CA-O 3.3Å; T64-R70 WeakPolarHBondContact CA-O 3.5Å; R65-R70 PolarHBondContact N-O 3.17Å; R70-E135 IonicContact CZ-OE1 3.85Å; R70-E135 IonicContact CZ-OE2 3.99Å; R70-E135 IonicContact NE-OE1 3.53Å; R70-E135 PolarHBondContact NE-OE1 3.19Å; R70-E135 IonicContact NE-OE2 3.26Å; R70-E135 IonicContact NH2-OE1 2.68Å; R70-E135 PolarHBondContact NH2-OE1 2.87Å; R70-E135 IonicContact NH2-OE2 2.88Å; R70-E135 PolarHBondContact NH2-OE2 2.78Å
71H95.6Very high94.9Very high26 Ų2650 Ų5012%0.1226%0.255CS..EExtended strand (participates in β ladder)trans-132.5143-174.2-62.7102.9000109.2P69 I88 L131 E135P69-H71 PolarHBondContact O-N 3.31Å; P69-H71 VanDerWaalsContact O-N 3.12Å; H71-I88 HydrophobicContact CB-CB 3.9Å; H71-I88 HydrophobicContact CB-CD1 4.27Å; H71-I88 HydrophobicContact CB-CG2 4.35Å; H71-I88 PolarHBondContact O-N 3.34Å; H71-L131 HydrophobicContact CB-CD1 4.44Å; H71-E135 IonicContact CE1-OE1 2.73Å; H71-E135 IonicContact ND1-OE1 3.67Å; H71-E135 PolarHBondContact ND1-OE1 3.44Å
72G96.1Very high94.7Very high0 Ų056.7 Ų56.70%029%0.286CS..EExtended strand (participates in β ladder)trans-157.4169.817700000110.9Y63Y63-G72 PolarHBondContact N-O 3.21Å; Y63-G72 PolarHBondContact O-N 2.89Å
73F97.2Very high94.6Very high0 Ų060 Ų600%030%0.304CS..EExtended strand (participates in β ladder)trans-136.3156.2166.772.7-85.5000111.1L60 F61 I62 L84 E86 I88 L92 F94 Y103 I113 M128L60-F73 HydrophobicContact CD1-CD2 4.27Å; F61-F73 CarbonylContact O-C 3.58Å; F61-F73 WeakPolarHBondContact O-CA 3.49Å; F61-F73 WeakPolarHBondContact O-CB 3.16Å; I62-F73 HydrophobicContact CG1-CB 4.25Å; F73-L84 HydrophobicContact CE2-CD2 3.87Å; F73-E86 HydrophobicContact CD1-CB 4.12Å; F73-E86 HydrophobicContact CE1-CB 3.55Å; F73-E86 HydrophobicContact CE2-CB 4.17Å; F73-E86 HydrophobicContact CZ-CB 3.59Å; F73-E86 HydrophobicContact CZ-CG 4.1Å; F73-E86 PolarHBondContact N-O 3.34Å; F73-E86 PolarHBondContact O-N 2.85Å; F73-I88 HydrophobicContact CD1-CD1 4.37Å; F73-I88 HydrophobicContact CD1-CG1 4.03Å; F73-L92 HydrophobicContact CE1-CD2 4.33Å; F73-F94 HydrophobicContact CE1-CZ 4.39Å; F73-Y103 HydrophobicContact CZ-CE1 4.03Å; F73-Y103 HydrophobicContact CZ-CE2 4.16Å; F73-Y103 AromaticContact CZ-CZ 3.87Å; F73-I113 HydrophobicContact CE2-CD1 3.82Å; F73-I113 HydrophobicContact CZ-CD1 4.29Å; F73-M128 HydrophobicContact CB-CE 3.77Å; F73-M128 HydrophobicContact CD1-CE 3.66Å; F73-M128 HydrophobicContact CD2-CE 3.76Å; F73-M128 HydrophobicContact CE1-CE 4.13Å; F73-M128 HydrophobicContact CE2-CE 4.22Å; F73-M128 HydrophobicContact CG-CE 3.45Å; F73-M128 VanDerWaalsContact CG-CE 3.45Å; F73-M128 HydrophobicContact CZ-CE 4.38Å
74T97.4Very high94.5Very high5 Ų561 Ų613%0.03131%0.31CS..EExtended strand (participates in β ladder)trans-138147176-179.30000110L22 L60 F61 Y63 M76 L84 T85L22-T74 HydrophobicContact CD1-CG2 4.3Å; L22-T74 HydrophobicContact CD2-CG2 3.64Å; L60-T74 CarbonylContact C-O 3.44Å; L60-T74 WeakPolarHBondContact CA-O 3.4Å; F61-T74 HydrophobicContact CB-CG2 4.08Å; F61-T74 PolarHBondContact N-O 3.01Å; F61-T74 PolarHBondContact O-N 2.9Å; Y63-T74 HydrophobicContact CD1-CG2 4.18Å; Y63-T74 HydrophobicContact CE1-CG2 3.77Å; T74-M76 HydrophobicContact CG2-CG 4.48Å; T74-L84 CarbonylContact C-O 3.48Å; T74-L84 WeakPolarHBondContact CA-O 3.38Å; T74-L84 VanDerWaalsContact CB-O 3.29Å; T74-L84 WeakPolarHBondContact CB-O 3.34Å; T74-L84 PolarHBondContact OG1-O 3.26Å; T74-T85 PolarHBondContact OG1-OG1 3.06Å
75I97.8Very high94.5Very high0 Ų063.2 Ų63.20%032%0.324CS..EExtended strand (participates in β ladder)trans-105.2105.1164.4-55.9172.9000106V39 L41 V56 T59 L60 N77 N83 L84 I113V39-I75 HydrophobicContact CG2-CB 4.43Å; V39-I75 HydrophobicContact CG2-CD1 3.8Å; V39-I75 HydrophobicContact CG2-CG1 3.9Å; V39-I75 HydrophobicContact CG2-CG2 3.68Å; L41-I75 HydrophobicContact CB-CD1 4.23Å; L41-I75 HydrophobicContact CD1-CD1 4.5Å; V56-I75 HydrophobicContact CG1-CB 3.88Å; V56-I75 HydrophobicContact CG1-CD1 4.5Å; V56-I75 HydrophobicContact CG1-CG2 3.77Å; T59-I75 CarbonylContact O-C 3.57Å; T59-I75 WeakPolarHBondContact O-CA 3.37Å; L60-I75 HydrophobicContact CB-CG1 4.39Å; L60-I75 HydrophobicContact CD1-CG1 4.16Å; L60-I75 HydrophobicContact CG-CG1 4.31Å; I75-N77 PolarHBondContact O-N 2.95Å; I75-N77 VanDerWaalsContact O-N 3.16Å; I75-N83 WeakPolarHBondContact O-CA 3.28Å; I75-L84 HydrophobicContact CB-CB 4.17Å; I75-L84 HydrophobicContact CD1-CD2 3.78Å; I75-L84 HydrophobicContact CG1-CB 4.42Å; I75-L84 HydrophobicContact CG1-CD2 4.14Å; I75-L84 PolarHBondContact N-O 2.9Å; I75-L84 PolarHBondContact O-N 2.76Å; I75-I113 HydrophobicContact CD1-CD1 4.48Å; I75-I113 HydrophobicContact CD1-CG2 4.42Å
76M95.4Very high94.5Very high43 Ų4362.3 Ų62.321%0.21232%0.321CS..EExtended strand (participates in β ladder)trans-70.4107.6170.9-71.1-143.3-69.800108.1L22 G58 T59 F61 T74 N83L22-M76 HydrophobicContact CD2-CG 3.96Å; L22-M76 HydrophobicContact CD2-SD 3.7Å; L22-M76 HydrophobicContact CG-SD 4.48Å; G58-M76 WeakPolarHBondContact CA-O 3.35Å; T59-M76 PolarHBondContact N-O 2.68Å; T59-M76 PolarHBondContact O-N 2.98Å; F61-M76 HydrophobicContact CD2-CE 4.19Å; F61-M76 HydrophobicContact CD2-CG 4.05Å; F61-M76 HydrophobicContact CE2-CB 4.22Å; F61-M76 HydrophobicContact CE2-CE 3.35Å; F61-M76 HydrophobicContact CE2-CG 3.97Å; F61-M76 HydrophobicContact CE2-SD 4.43Å; F61-M76 HydrophobicContact CZ-CE 3.76Å; T74-M76 HydrophobicContact CG2-CG 4.48Å; M76-N83 WeakPolarHBondContact CA-OD1 3.44Å
77N96.4Very high94.5Very high18 Ų1858.7 Ų58.710%0.09631%0.306CS..EExtended strand (participates in β ladder)trans-70.2146.1-174.6-164.4-4.6000110.6E55 V56 E57 I75 L79 N80 E82 N83E55-N77 PolarHBondContact O-ND2 3.41Å; E55-N77 PolarHBondContact O-OD1 3.26Å; V56-N77 HydrophobicContact CG1-CB 4.46Å; E57-N77 PolarHBondContact N-OD1 3.35Å; E57-N77 PolarHBondContact O-OD1 3.04Å; I75-N77 PolarHBondContact O-N 2.95Å; I75-N77 VanDerWaalsContact O-N 3.16Å; N77-L79 PolarHBondContact OD1-N 3.46Å; N77-N80 PolarHBondContact ND2-OD1 3.26Å; N77-E82 WeakPolarHBondContact CB-O 3.48Å; N77-E82 PolarHBondContact ND2-O 3.19Å; N77-N83 PolarHBondContact N-OD1 3.12Å
78R94.6Very high94.7Very high145 Ų14557.2 Ų57.255%0.54729%0.293SS..SBendtrans-111.9-9.6176.4-61.7-179.8-172164.74.3112.8S37 E57 T59S37-R78 PolarHBondContact O-NH2 3.34Å; E57-R78 PolarHBondContact O-N 3Å; T59-R78 PolarHBondContact OG1-NE 2.95Å; T59-R78 PolarHBondContact OG1-NH2 2.83Å
79L93.6Very high94.8Very high111 Ų11154.1 Ų54.158%0.58127%0.27SS*.SBendtrans-91.1-42.5-178.9-56.7-177.1000112E57 N77E57-L79 HydrophobicContact CB-CD1 3.84Å; E57-L79 HydrophobicContact CB-CG 4.21Å; N77-L79 PolarHBondContact OD1-N 3.46Å
80N93.4Very high94.6Very high47 Ų4756.7 Ų56.725%0.25128%0.277SS..SBendtrans-143.2-174.1175.570.635.4000109.8E55 N77 E82E55-N80 PolarHBondContact OE2-ND2 3.45Å; N77-N80 PolarHBondContact ND2-OD1 3.26Å; N80-E82 WeakPolarHBondContact OD1-CA 3.45Å; N80-E82 VanDerWaalsContact OD1-CB 3.28Å; N80-E82 WeakPolarHBondContact OD1-CB 3.47Å; N80-E82 PolarHBondContact OD1-N 3.29Å
81M91.9Very high94.2Very high180 Ų18056.9 Ų56.989%0.88728%0.284SS*.SBendtrans-87-1.3-178.8-64-173.1-66.500114.4N83M81-N83 PolarHBondContact O-N 3.36Å
82E94.5Very high94Very high145 Ų14555.9 Ų55.968%0.67828%0.28SS*.  trans-83.998.8-179-55.1-168.8173.800109.8N77 N80N77-E82 WeakPolarHBondContact CB-O 3.48Å; N77-E82 PolarHBondContact ND2-O 3.19Å; N80-E82 WeakPolarHBondContact OD1-CA 3.45Å; N80-E82 VanDerWaalsContact OD1-CB 3.28Å; N80-E82 WeakPolarHBondContact OD1-CB 3.47Å; N80-E82 PolarHBondContact OD1-N 3.29Å
83N95.1Very high93.7Very high70 Ų7058 Ų5837%0.37429%0.291SS..  trans-85.9139.8177.2-57.8-54.6000110.6I75 M76 N77 M81I75-N83 WeakPolarHBondContact O-CA 3.28Å; M76-N83 WeakPolarHBondContact CA-OD1 3.44Å; N77-N83 PolarHBondContact N-OD1 3.12Å; M81-N83 PolarHBondContact O-N 3.36Å
84L95.7Very high93.5Very high27 Ų2759 Ų5914%0.14130%0.296CS..EExtended strand (participates in β ladder)trans-72.5133.1162.6179.574.6000108.4L41 V56 F73 T74 I75 E86L41-L84 HydrophobicContact CD1-CD2 4.1Å; L41-L84 HydrophobicContact CD2-CB 4.36Å; L41-L84 HydrophobicContact CD2-CD1 4.07Å; L41-L84 HydrophobicContact CD2-CD2 3.96Å; L41-L84 HydrophobicContact CD2-CG 4.35Å; V56-L84 HydrophobicContact CG1-CB 4.1Å; F73-L84 HydrophobicContact CE2-CD2 3.87Å; T74-L84 CarbonylContact C-O 3.48Å; T74-L84 WeakPolarHBondContact CA-O 3.38Å; T74-L84 VanDerWaalsContact CB-O 3.29Å; T74-L84 WeakPolarHBondContact CB-O 3.34Å; T74-L84 PolarHBondContact OG1-O 3.26Å; I75-L84 HydrophobicContact CB-CB 4.17Å; I75-L84 HydrophobicContact CD1-CD2 3.78Å; I75-L84 HydrophobicContact CG1-CB 4.42Å; I75-L84 HydrophobicContact CG1-CD2 4.14Å; I75-L84 PolarHBondContact N-O 2.9Å; I75-L84 PolarHBondContact O-N 2.76Å; L84-E86 HydrophobicContact CD1-CG 3.83Å; L84-E86 HydrophobicContact CD2-CG 4.23Å; L84-E86 HydrophobicContact CG-CG 4.02Å
85T96Very high93.4Very high78 Ų7860.9 Ų60.948%0.47930%0.304SS..EExtended strand (participates in β ladder)trans-136.1116.9168.3-61.50000108.8Y63 T74Y63-T85 WeakPolarHBondContact OH-CG2 3.3Å; T74-T85 PolarHBondContact OG1-OG1 3.06Å
86E95.4Very high93.2Very high27 Ų2763.7 Ų63.713%0.12632%0.319CS..EExtended strand (participates in β ladder)trans-126.1123.2-175.5-77.7-86.9-143.200109.9F73 L84 Y103 N105F73-E86 HydrophobicContact CD1-CB 4.12Å; F73-E86 HydrophobicContact CE1-CB 3.55Å; F73-E86 HydrophobicContact CE2-CB 4.17Å; F73-E86 HydrophobicContact CZ-CB 3.59Å; F73-E86 HydrophobicContact CZ-CG 4.1Å; F73-E86 PolarHBondContact N-O 3.34Å; F73-E86 PolarHBondContact O-N 2.85Å; L84-E86 HydrophobicContact CD1-CG 3.83Å; L84-E86 HydrophobicContact CD2-CG 4.23Å; L84-E86 HydrophobicContact CG-CG 4.02Å; E86-Y103 HydrophobicContact CG-CE2 4.3Å; E86-Y103 PolarHBondContact OE1-OH 3.32Å; E86-N105 WeakPolarHBondContact OE1-CB 3.38Å; E86-N105 PolarHBondContact OE1-ND2 3.17Å
87P94.7Very high93.1Very high53 Ų5365.4 Ų65.434%0.34433%0.326SS..EExtended strand (participates in β ladder)trans-72.2139.3175.329-32.2000110.8P69 T89 L92P69-P87 HydrophobicContact CB-CB 4.13Å; P69-P87 HydrophobicContact CG-CB 3.79Å; P87-T89 HydrophobicContact CB-CG2 4.2Å; P87-T89 HydrophobicContact CG-CG2 4.29Å; P87-T89 PolarHBondContact O-N 2.98Å; P87-T89 VanDerWaalsContact O-N 3.1Å; P87-L92 VanDerWaalsContact O-CD1 3.28Å; P87-L92 WeakPolarHBondContact O-CD1 3.37Å
88I94.3Very high92.6Very high0 Ų067.9 Ų67.90%034%0.339CS..  trans-84.188.9171.5-62.2169.5000107.1I62 H71 F73 L131I62-I88 HydrophobicContact CG2-CD1 4.22Å; H71-I88 HydrophobicContact CB-CB 3.9Å; H71-I88 HydrophobicContact CB-CD1 4.27Å; H71-I88 HydrophobicContact CB-CG2 4.35Å; H71-I88 PolarHBondContact O-N 3.34Å; F73-I88 HydrophobicContact CD1-CD1 4.37Å; F73-I88 HydrophobicContact CD1-CG1 4.03Å; I88-L131 HydrophobicContact CD1-CB 4.5Å; I88-L131 HydrophobicContact CD1-CD1 4.07Å; I88-L131 HydrophobicContact CG2-CB 4.23Å
89T90.6Very high92.6Very high32 Ų3263.1 Ų63.120%0.19633%0.327CS..  trans-92.5165167.777.60000111P69 P87 D91 L92P69-T89 HydrophobicContact CB-CG2 4.5Å; P69-T89 HydrophobicContact CG-CG2 4.12Å; P87-T89 HydrophobicContact CB-CG2 4.2Å; P87-T89 HydrophobicContact CG-CG2 4.29Å; P87-T89 PolarHBondContact O-N 2.98Å; P87-T89 VanDerWaalsContact O-N 3.1Å; T89-D91 PolarHBondContact O-N 2.69Å; T89-D91 PolarHBondContact OG1-N 3.47Å; T89-D91 PolarHBondContact OG1-OD2 3.12Å; T89-L92 PolarHBondContact O-N 3.39Å; T89-L92 WeakPolarHBondContact OG1-CD1 3.47Å
90K86.4Confident92.7Very high98 Ų9861.6 Ų61.643%0.42632%0.316SS..THydrogen-bonded Turntrans-55.5-18.9176.271.2-178.4-171.7-179.10114.5Q136 A139K90-Q136 HydrophobicContact CB-CB 4.48Å; K90-Q136 HydrophobicContact CB-CG 3.72Å; K90-Q136 PolarHBondContact O-NE2 3.06Å; K90-A139 HydrophobicContact CD-CB 3.75Å
91D85.4Confident92.8Very high89 Ų8959.3 Ų59.348%0.47630%0.304SS..THydrogen-bonded Turntrans-1007.5-169.8-43.3-81.3000113T89T89-D91 PolarHBondContact O-N 2.69Å; T89-D91 PolarHBondContact OG1-N 3.47Å; T89-D91 PolarHBondContact OG1-OD2 3.12Å
92L91.2Very high93.1Very high5 Ų551 Ų513%0.02626%0.263CS..  trans-87.6115.7171-80.881.7000111.2F73 P87 T89 F94 Y103 R104F73-L92 HydrophobicContact CE1-CD2 4.33Å; P87-L92 VanDerWaalsContact O-CD1 3.28Å; P87-L92 WeakPolarHBondContact O-CD1 3.37Å; T89-L92 PolarHBondContact O-N 3.39Å; T89-L92 WeakPolarHBondContact OG1-CD1 3.47Å; L92-F94 HydrophobicContact CB-CD2 4.18Å; L92-F94 HydrophobicContact CB-CE2 3.53Å; L92-F94 HydrophobicContact CB-CZ 4.06Å; L92-F94 HydrophobicContact CD2-CE2 4.04Å; L92-F94 HydrophobicContact CD2-CZ 3.68Å; L92-F94 HydrophobicContact CG-CE2 4.43Å; L92-Y103 HydrophobicContact CD2-CD2 4.14Å; L92-R104 WeakPolarHBondContact CA-O 3.39Å
93D90.5Very high93.1Very high44 Ų4444 Ų4424%0.23523%0.23CC..EExtended strand (participates in β ladder)trans-85.3130.3168.5-78-49.1000110.3Y103 R104 L299D93-Y103 CarbonylContact O-C 3.2Å; D93-Y103 WeakPolarHBondContact O-CA 3.46Å; D93-R104 HydrophobicContact CB-CB 4.45Å; D93-R104 PolarHBondContact N-O 2.88Å; D93-R104 PolarHBondContact O-N 3.13Å; D93-L299 HydrophobicContact CB-CD2 3.66Å; D93-L299 WeakPolarHBondContact O-CD2 3.32Å
94F93.8Very high93.1Very high23 Ų2342.6 Ų42.610%0.10122%0.22CC..EExtended strand (participates in β ladder)trans-119.6122.1179.7-72-85.3000112.2F73 L92 L101 Y103 M128 R129 T132F73-F94 HydrophobicContact CE1-CZ 4.39Å; L92-F94 HydrophobicContact CB-CD2 4.18Å; L92-F94 HydrophobicContact CB-CE2 3.53Å; L92-F94 HydrophobicContact CB-CZ 4.06Å; L92-F94 HydrophobicContact CD2-CE2 4.04Å; L92-F94 HydrophobicContact CD2-CZ 3.68Å; L92-F94 HydrophobicContact CG-CE2 4.43Å; F94-L101 HydrophobicContact CB-CD1 4.46Å; F94-L101 HydrophobicContact CD1-CD1 4.29Å; F94-L101 HydrophobicContact CD1-CD2 4.23Å; F94-L101 HydrophobicContact CD1-CG 4.32Å; F94-Y103 HydrophobicContact CE1-CG 4.2Å; F94-M128 HydrophobicContact CD1-CB 4.21Å; F94-M128 HydrophobicContact CD1-SD 4.11Å; F94-M128 HydrophobicContact CD2-CB 4.46Å; F94-M128 HydrophobicContact CE1-CB 3.98Å; F94-M128 HydrophobicContact CE1-CG 4.23Å; F94-M128 HydrophobicContact CE1-SD 3.47Å; F94-M128 WeakPolarHBondContact CE1-SD 3.48Å; F94-M128 HydrophobicContact CE2-CB 4.22Å; F94-M128 HydrophobicContact CG-CB 4.44Å; F94-M128 HydrophobicContact CZ-CB 3.98Å; F94-M128 HydrophobicContact CZ-CG 4.34Å; F94-M128 HydrophobicContact CZ-SD 4.06Å; F94-R129 PolarHBondContact O-NH2 2.81Å; F94-T132 VanDerWaalsContact CE2-OG1 3.31Å; F94-T132 WeakPolarHBondContact CE2-OG1 3.3Å
95Q94.2Very high92.9Very high43 Ų4341.6 Ų41.620%0.20121%0.214CC..EExtended strand (participates in β ladder)trans-124.7121.3173.9-175.4160.7-9.400112.4L102 A295 L299Q95-L102 PolarHBondContact N-O 2.91Å; Q95-L102 PolarHBondContact O-N 3.26Å; Q95-A295 VanDerWaalsContact CD-CB 3.45Å; Q95-A295 HydrophobicContact CG-CB 4.17Å; Q95-A295 PolarHBondContact OE1-O 3.48Å; Q95-L299 HydrophobicContact CB-CD1 4.44Å; Q95-L299 HydrophobicContact CB-CD2 4.13Å; Q95-L299 HydrophobicContact CB-CG 4.29Å
96L94.6Very high92.5Very high60 Ų6041 Ų4131%0.31422%0.218SC..EExtended strand (participates in β ladder)trans-80.7131.2175.5177.864000110.3C121 Q122 A125L96-C121 VanDerWaalsContact CD1-SG 3.54Å; L96-Q122 HydrophobicContact CD2-CG 4.17Å; L96-A125 HydrophobicContact CB-CB 4.28Å; L96-A125 HydrophobicContact CD1-CB 4.01Å; L96-A125 HydrophobicContact CD2-CB 4.33Å; L96-A125 HydrophobicContact CG-CB 4.44Å
97Q92.3Very high92.2Very high78 Ų7849.6 Ų49.636%0.36425%0.249SC..EExtended strand (participates in β ladder)trans-139.775.5168.1-66.9-170.3113.800108F100 L102 A295Q97-F100 CarbonylContact C-O 3.54Å; Q97-F100 PolarHBondContact N-O 2.75Å; Q97-F100 WeakPolarHBondContact O-CA 3.41Å; Q97-F100 WeakPolarHBondContact O-CB 3.35Å; Q97-F100 PolarHBondContact O-N 3.12Å; Q97-F100 VanDerWaalsContact O-O 3.11Å; Q97-L102 HydrophobicContact CB-CD1 3.94Å; Q97-L102 HydrophobicContact CG-CD1 4.13Å; Q97-L102 VanDerWaalsContact NE2-CD1 3.3Å; Q97-L102 VanDerWaalsContact NE2-CD2 3.32Å; Q97-A295 HydrophobicContact CG-CB 3.95Å
98D87.4Confident91.9Very high71 Ų7152.6 Ų52.638%0.3826%0.261SS..THydrogen-bonded Turntrans-41.2126.2-175.5-162.3-99.9000112.5K118 Q122D98-K118 WeakPolarHBondContact OD1-CB 3.36Å; D98-K118 WeakPolarHBondContact OD2-CB 3.35Å; D98-Q122 PolarHBondContact OD2-NE2 3.46Å
99P92.7Very high91.8Very high45 Ų4554.7 Ų54.729%0.29227%0.274SS..THydrogen-bonded Turncis-88.815.2936.9-38.1000115.7F115 C121P99-F115 PolarHBondContact O-N 2.82Å; P99-C121 VanDerWaalsContact C-SG 3.57Å; P99-C121 PolarHBondContact O-SG 3.35Å
100F96.1Very high92Very high78 Ų7853.6 Ų53.634%0.34227%0.267SS..EExtended strand (participates in β ladder)trans-104.1139.5-179-58.4-99.1000112.9Q97 L102 I113 W114Q97-F100 CarbonylContact C-O 3.54Å; Q97-F100 PolarHBondContact N-O 2.75Å; Q97-F100 WeakPolarHBondContact O-CA 3.41Å; Q97-F100 WeakPolarHBondContact O-CB 3.35Å; Q97-F100 PolarHBondContact O-N 3.12Å; Q97-F100 VanDerWaalsContact O-O 3.11Å; F100-L102 HydrophobicContact CB-CD1 3.83Å; F100-I113 CarbonylContact C-O 3.56Å; F100-I113 WeakPolarHBondContact CA-O 3.09Å; F100-W114 HydrophobicContact CD1-CB 3.74Å; F100-W114 AromaticContact CD1-CD1 3.89Å; F100-W114 HydrophobicContact CD1-CG 4.25Å; F100-W114 HydrophobicContact CE1-CB 3.67Å; F100-W114 AromaticContact CE1-CD1 3.53Å; F100-W114 AromaticContact CE1-CG 3.93Å; F100-W114 HydrophobicContact CE1-CG 3.93Å; F100-W114 AromaticContact CE2-CD1 3.92Å; F100-W114 AromaticContact CZ-CD1 3.54Å; F100-W114 HydrophobicContact CZ-CG 4.33Å
101L96.7Very high92.5Very high0 Ų049.9 Ų49.90%025%0.251CS..EExtended strand (participates in β ladder)trans-103111.9161.3-179.154.8000109F94 I113 F115 I124 A125 M128F94-L101 HydrophobicContact CB-CD1 4.46Å; F94-L101 HydrophobicContact CD1-CD1 4.29Å; F94-L101 HydrophobicContact CD1-CD2 4.23Å; F94-L101 HydrophobicContact CD1-CG 4.32Å; L101-I113 PolarHBondContact N-O 3.04Å; L101-I113 PolarHBondContact O-N 2.82Å; L101-F115 HydrophobicContact CB-CE2 3.74Å; L101-F115 HydrophobicContact CB-CZ 4.45Å; L101-I124 HydrophobicContact CD2-CG2 4.19Å; L101-A125 HydrophobicContact CD1-CB 3.67Å; L101-A125 HydrophobicContact CD2-CB 3.95Å; L101-A125 HydrophobicContact CG-CB 4.34Å; L101-M128 HydrophobicContact CD2-SD 3.58Å; L101-M128 VanDerWaalsContact CD2-SD 3.58Å
102L96.9Very high93.1Very high4 Ų445.7 Ų45.72%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-89.5140173.4-67.372.8000108.8W51 Q95 Q97 F100 H111 I296 L299W51-L102 HydrophobicContact CH2-CD2 3.85Å; W51-L102 HydrophobicContact CH2-CG 4.06Å; W51-L102 HydrophobicContact CZ2-CD2 3.72Å; W51-L102 HydrophobicContact CZ2-CG 4.33Å; Q95-L102 PolarHBondContact N-O 2.91Å; Q95-L102 PolarHBondContact O-N 3.26Å; Q97-L102 HydrophobicContact CB-CD1 3.94Å; Q97-L102 HydrophobicContact CG-CD1 4.13Å; Q97-L102 VanDerWaalsContact NE2-CD1 3.3Å; Q97-L102 VanDerWaalsContact NE2-CD2 3.32Å; F100-L102 HydrophobicContact CB-CD1 3.83Å; L102-H111 VanDerWaalsContact CA-O 3.3Å; L102-H111 WeakPolarHBondContact CA-O 3.33Å; L102-I296 HydrophobicContact CD2-CG1 4.15Å; L102-L299 HydrophobicContact CB-CD1 3.61Å; L102-L299 HydrophobicContact CD2-CD1 4.29Å
103Y95.9Very high93.4Very high0 Ų045.4 Ų45.40%023%0.228CC..EExtended strand (participates in β ladder)trans-139155.7172.874.9-85.3000111.5L41 F73 E86 L92 D93 F94 N105 I110 H111 I113L41-Y103 HydrophobicContact CD1-CE1 4.41Å; F73-Y103 HydrophobicContact CZ-CE1 4.03Å; F73-Y103 HydrophobicContact CZ-CE2 4.16Å; F73-Y103 AromaticContact CZ-CZ 3.87Å; E86-Y103 HydrophobicContact CG-CE2 4.3Å; E86-Y103 PolarHBondContact OE1-OH 3.32Å; L92-Y103 HydrophobicContact CD2-CD2 4.14Å; D93-Y103 CarbonylContact O-C 3.2Å; D93-Y103 WeakPolarHBondContact O-CA 3.46Å; F94-Y103 HydrophobicContact CE1-CG 4.2Å; Y103-N105 HydrophobicContact CD2-CB 4.49Å; Y103-N105 HydrophobicContact CE2-CB 4.15Å; Y103-I110 WeakPolarHBondContact O-CA 2.86Å; Y103-H111 HydrophobicContact CD1-CB 3.92Å; Y103-H111 HydrophobicContact CE1-CB 3.38Å; Y103-H111 HydrophobicContact CE2-CB 4.17Å; Y103-H111 AromaticContact CE2-CD2 3.86Å; Y103-H111 AromaticContact CZ-CD2 3.74Å; Y103-H111 AromaticContact CZ-CG 3.83Å; Y103-H111 PolarHBondContact N-O 3.04Å; Y103-H111 PolarHBondContact O-N 3.19Å; Y103-I113 HydrophobicContact CD1-CD1 4.04Å; Y103-I113 HydrophobicContact CD1-CG1 4.13Å; Y103-I113 HydrophobicContact CE1-CD1 3.79Å; Y103-I113 HydrophobicContact CE1-CG1 3.83Å
104R94.3Very high93.8Very high40 Ų4046.8 Ų46.815%0.15123%0.23CC..EExtended strand (participates in β ladder)trans-114.2127.4169.2-169.7177-171.6-166.24.4108.7L92 D93 L108 V109 I110 L299 M300L92-R104 WeakPolarHBondContact CA-O 3.39Å; D93-R104 HydrophobicContact CB-CB 4.45Å; D93-R104 PolarHBondContact N-O 2.88Å; D93-R104 PolarHBondContact O-N 3.13Å; R104-L108 PolarHBondContact NE-O 2.93Å; R104-V109 WeakPolarHBondContact CA-O 3.25Å; R104-I110 HydrophobicContact CB-CG1 4.14Å; R104-I110 HydrophobicContact CG-CG1 3.96Å; R104-L299 HydrophobicContact CB-CB 4.49Å; R104-L299 HydrophobicContact CB-CD2 4.45Å; R104-L299 WeakPolarHBondContact CD-O 3.28Å; R104-L299 PolarHBondContact NH1-O 2.94Å; R104-M300 VanDerWaalsContact NH1-C 3.27Å; R104-M300 PolarHBondContact NH1-O 3.18Å
105N91.4Very high94Very high5 Ų545.8 Ų45.83%0.02723%0.225CC..  trans-88.8171.21776322000112.3E86 Y103 R107 L108 V109 H111E86-N105 WeakPolarHBondContact OE1-CB 3.38Å; E86-N105 PolarHBondContact OE1-ND2 3.17Å; Y103-N105 HydrophobicContact CD2-CB 4.49Å; Y103-N105 HydrophobicContact CE2-CB 4.15Å; N105-R107 PolarHBondContact O-N 3.38Å; N105-R107 WeakPolarHBondContact OD1-CB 3.35Å; N105-R107 PolarHBondContact OD1-N 2.86Å; N105-L108 WeakPolarHBondContact O-CA 3.5Å; N105-L108 PolarHBondContact O-N 3.01Å; N105-V109 PolarHBondContact N-O 3.01Å; N105-V109 PolarHBondContact OD1-N 3.38Å; N105-V109 VanDerWaalsContact OD1-N 3.14Å; N105-V109 PolarHBondContact OD1-O 3.47Å; N105-H111 PolarHBondContact ND2-NE2 2.86Å
106A87.8Confident94.1Very high67 Ų6751.9 Ų51.955%0.55425%0.247SC*.THydrogen-bonded Turntrans-61.9-12.7178.400000114L108A106-L108 PolarHBondContact O-N 2.91Å
107R88.9Confident94.1Very high207 Ų20752.3 Ų52.378%0.78125%0.25SS*.THydrogen-bonded Turntrans-84.86.3170.4-60174.861.7-159.4-2.1112.7N105 V109N105-R107 PolarHBondContact O-N 3.38Å; N105-R107 WeakPolarHBondContact OD1-CB 3.35Å; N105-R107 PolarHBondContact OD1-N 2.86Å; R107-V109 HydrophobicContact CB-CG2 4.16Å; R107-V109 PolarHBondContact O-N 3.42Å
108L89.4Confident94.1Very high115 Ų11554 Ų5460%0.60226%0.257SS*.  trans63.87.9-175.7-51.3-177.9000115.2R104 N105 A106R104-L108 PolarHBondContact NE-O 2.93Å; N105-L108 WeakPolarHBondContact O-CA 3.5Å; N105-L108 PolarHBondContact O-N 3.01Å; A106-L108 PolarHBondContact O-N 2.91Å
109V91.9Very high94.5Very high45 Ų4556 Ų5627%0.27326%0.264SS..  trans-76137.2176.6-172.90000109T43 R104 N105 R107 H111T43-V109 HydrophobicContact CG2-CG1 3.82Å; R104-V109 WeakPolarHBondContact CA-O 3.25Å; N105-V109 PolarHBondContact N-O 3.01Å; N105-V109 PolarHBondContact OD1-N 3.38Å; N105-V109 VanDerWaalsContact OD1-N 3.14Å; N105-V109 PolarHBondContact OD1-O 3.47Å; R107-V109 HydrophobicContact CB-CG2 4.16Å; R107-V109 PolarHBondContact O-N 3.42Å; V109-H111 WeakPolarHBondContact CG1-NE2 3.44Å
110I95.3Very high94.7Very high8 Ų855 Ų554%0.04126%0.256CS..EExtended strand (participates in β ladder)trans-98.3130.2175.4-66.7173.1000108.7Y44 W51 Y103 R104 I296 L299 M300Y44-I110 WeakPolarHBondContact CB-O 3.42Å; Y44-I110 PolarHBondContact N-O 3.12Å; W51-I110 HydrophobicContact CH2-CG2 4.06Å; Y103-I110 WeakPolarHBondContact O-CA 2.86Å; R104-I110 HydrophobicContact CB-CG1 4.14Å; R104-I110 HydrophobicContact CG-CG1 3.96Å; I110-I296 HydrophobicContact CD1-CG2 4.06Å; I110-L299 HydrophobicContact CD1-CB 3.84Å; I110-L299 HydrophobicContact CG1-CB 4.3Å; I110-L299 HydrophobicContact CG2-CD1 4.1Å; I110-M300 HydrophobicContact CD1-CG 3.61Å
111H96.8Very high94.7Very high20 Ų2051.3 Ų51.39%0.09324%0.239CC..EExtended strand (participates in β ladder)trans-124.4156.8178.3-66-75.7000110L41 Y42 T43 L102 Y103 N105 V109L41-H111 HydrophobicContact CD1-CB 4.12Å; Y42-H111 CarbonylContact O-C 3.59Å; Y42-H111 WeakPolarHBondContact O-CA 3.49Å; T43-H111 PolarHBondContact OG1-CE1 3.14Å; T43-H111 PolarHBondContact OG1-ND1 3.21Å; L102-H111 VanDerWaalsContact CA-O 3.3Å; L102-H111 WeakPolarHBondContact CA-O 3.33Å; Y103-H111 HydrophobicContact CD1-CB 3.92Å; Y103-H111 HydrophobicContact CE1-CB 3.38Å; Y103-H111 HydrophobicContact CE2-CB 4.17Å; Y103-H111 AromaticContact CE2-CD2 3.86Å; Y103-H111 AromaticContact CZ-CD2 3.74Å; Y103-H111 AromaticContact CZ-CG 3.83Å; Y103-H111 PolarHBondContact N-O 3.04Å; Y103-H111 PolarHBondContact O-N 3.19Å; N105-H111 PolarHBondContact ND2-NE2 2.86Å; V109-H111 WeakPolarHBondContact CG1-NE2 3.44Å
112G97.2Very high94.6Very high1 Ų155.2 Ų55.21%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-129.7118.7176.900000109.6Y42Y42-G112 PolarHBondContact N-O 3.5Å; Y42-G112 PolarHBondContact O-N 3.45Å
113I97.9Very high94.6Very high0 Ų058.5 Ų58.50%027%0.27CS..EExtended strand (participates in β ladder)trans-96.2111.7173.4-52.6176.8000107V39 L41 L60 F73 I75 F100 L101 Y103 F115V39-I113 HydrophobicContact CB-CG2 3.7Å; V39-I113 HydrophobicContact CG1-CG2 3.97Å; V39-I113 HydrophobicContact CG2-CG2 4.13Å; L41-I113 HydrophobicContact CD1-CG1 4.11Å; L60-I113 HydrophobicContact CD1-CD1 3.94Å; L60-I113 HydrophobicContact CD1-CG2 4.18Å; F73-I113 HydrophobicContact CE2-CD1 3.82Å; F73-I113 HydrophobicContact CZ-CD1 4.29Å; I75-I113 HydrophobicContact CD1-CD1 4.48Å; I75-I113 HydrophobicContact CD1-CG2 4.42Å; F100-I113 CarbonylContact C-O 3.56Å; F100-I113 WeakPolarHBondContact CA-O 3.09Å; L101-I113 PolarHBondContact N-O 3.04Å; L101-I113 PolarHBondContact O-N 2.82Å; Y103-I113 HydrophobicContact CD1-CD1 4.04Å; Y103-I113 HydrophobicContact CD1-CG1 4.13Å; Y103-I113 HydrophobicContact CE1-CD1 3.79Å; Y103-I113 HydrophobicContact CE1-CG1 3.83Å; I113-F115 HydrophobicContact CB-CE2 3.85Å; I113-F115 HydrophobicContact CB-CZ 4.41Å; I113-F115 HydrophobicContact CG2-CD2 4.14Å; I113-F115 HydrophobicContact CG2-CE2 3.5Å; I113-F115 HydrophobicContact CG2-CZ 3.78Å; I113-F115 WeakPolarHBondContact O-CD2 3.29Å; I113-F115 WeakPolarHBondContact O-CE2 3.16Å
114W97.7Very high94.7Very high73 Ų7358.5 Ų58.528%0.27727%0.27SS..EExtended strand (participates in β ladder)trans-82.3140.4169.1-179.375.4000110V39 A40 Y42 F100 Y116V39-W114 CarbonylContact C-O 3.59Å; V39-W114 WeakPolarHBondContact CA-O 3.33Å; V39-W114 VanDerWaalsContact CB-O 3.3Å; V39-W114 WeakPolarHBondContact CB-O 3.37Å; A40-W114 HydrophobicContact CB-CE3 4.25Å; A40-W114 PolarHBondContact N-O 3.28Å; A40-W114 PolarHBondContact O-N 3.22Å; Y42-W114 HydrophobicContact CD2-CB 4.38Å; Y42-W114 HydrophobicContact CE2-CB 3.88Å; F100-W114 HydrophobicContact CD1-CB 3.74Å; F100-W114 AromaticContact CD1-CD1 3.89Å; F100-W114 HydrophobicContact CD1-CG 4.25Å; F100-W114 HydrophobicContact CE1-CB 3.67Å; F100-W114 AromaticContact CE1-CD1 3.53Å; F100-W114 AromaticContact CE1-CG 3.93Å; F100-W114 HydrophobicContact CE1-CG 3.93Å; F100-W114 AromaticContact CE2-CD1 3.92Å; F100-W114 AromaticContact CZ-CD1 3.54Å; F100-W114 HydrophobicContact CZ-CG 4.33Å; W114-Y116 HydrophobicContact CH2-CD2 4.07Å
115F97.8Very high94.8Very high1 Ų156.7 Ų56.70%0.00426%0.263CS..EExtended strand (participates in β ladder)trans-116.1139.5178-68.2-106.9000110.8A36 V39 L60 P99 L101 I113 D117 D120 C121 I124A36-F115 HydrophobicContact CB-CD1 3.92Å; A36-F115 HydrophobicContact CB-CE1 3.76Å; V39-F115 HydrophobicContact CG1-CD1 3.46Å; V39-F115 VanDerWaalsContact CG1-CD1 3.46Å; V39-F115 HydrophobicContact CG1-CD2 4.46Å; V39-F115 HydrophobicContact CG1-CE1 3.55Å; V39-F115 HydrophobicContact CG1-CG 3.94Å; V39-F115 HydrophobicContact CG1-CZ 4.1Å; L60-F115 HydrophobicContact CD1-CZ 4.28Å; P99-F115 PolarHBondContact O-N 2.82Å; L101-F115 HydrophobicContact CB-CE2 3.74Å; L101-F115 HydrophobicContact CB-CZ 4.45Å; I113-F115 HydrophobicContact CB-CE2 3.85Å; I113-F115 HydrophobicContact CB-CZ 4.41Å; I113-F115 HydrophobicContact CG2-CD2 4.14Å; I113-F115 HydrophobicContact CG2-CE2 3.5Å; I113-F115 HydrophobicContact CG2-CZ 3.78Å; I113-F115 WeakPolarHBondContact O-CD2 3.29Å; I113-F115 WeakPolarHBondContact O-CE2 3.16Å; F115-D117 WeakPolarHBondContact CB-O 3.32Å; F115-D120 HydrophobicContact CD1-CB 4.02Å; F115-C121 HydrophobicContact CB-CB 3.79Å; F115-C121 HydrophobicContact CD1-CB 4.22Å; F115-C121 HydrophobicContact CD2-CB 3.71Å; F115-C121 WeakPolarHBondContact CD2-SG 3.39Å; F115-C121 HydrophobicContact CE2-CB 4.37Å; F115-C121 HydrophobicContact CG-CB 3.64Å; F115-I124 HydrophobicContact CE1-CB 3.98Å; F115-I124 HydrophobicContact CE1-CG1 4Å; F115-I124 HydrophobicContact CE1-CG2 4.02Å; F115-I124 HydrophobicContact CZ-CB 4.1Å; F115-I124 HydrophobicContact CZ-CG2 3.75Å
116Y96.7Very high95Very high171 Ų17162.5 Ų62.567%0.67129%0.29SS*.SBendtrans-67.1-38.7171.9-177.8-88.9000112.3Q38 W114Q38-Y116 PolarHBondContact O-N 2.89Å; Q38-Y116 VanDerWaalsContact O-N 3.11Å; W114-Y116 HydrophobicContact CH2-CD2 4.07Å
117D95Very high95.3Very high70 Ų7063.7 Ų63.737%0.37428%0.28SS..  trans-107.5125.9172.3-165.1-21.8000110.8F115 Q119 D120 C121F115-D117 WeakPolarHBondContact CB-O 3.32Å; D117-Q119 VanDerWaalsContact C-N 3.26Å; D117-Q119 PolarHBondContact O-N 3.41Å; D117-Q119 WeakPolarHBondContact OD1-CB 3.39Å; D117-Q119 WeakPolarHBondContact OD1-CG 3.2Å; D117-Q119 PolarHBondContact OD1-N 3.35Å; D117-D120 HydrophobicContact CB-CB 4.19Å; D117-D120 WeakPolarHBondContact O-CB 3.48Å; D117-D120 PolarHBondContact O-N 3.44Å; D117-C121 PolarHBondContact O-N 3.03Å
118K92.8Very high95.6Very high114 Ų11453.9 Ų53.950%0.49624%0.243SC..Hα-helixtrans-63.3-29.5173.562.2-179.9-176.2179.90113.3D98 D120 C121 Q122D98-K118 WeakPolarHBondContact OD1-CB 3.36Å; D98-K118 WeakPolarHBondContact OD2-CB 3.35Å; K118-D120 VanDerWaalsContact C-N 3.35Å; K118-C121 WeakPolarHBondContact O-CB 3.35Å; K118-C121 PolarHBondContact O-N 3.3Å; K118-Q122 WeakPolarHBondContact O-CG 3.35Å; K118-Q122 PolarHBondContact O-N 2.93Å
119Q95.4Very high95.8Very high113 Ų11352.8 Ų52.853%0.52823%0.231SC..Hα-helixtrans-67.3-39.5175.5-55.3-66.612.500110.6D117 R123D117-Q119 VanDerWaalsContact C-N 3.26Å; D117-Q119 PolarHBondContact O-N 3.41Å; D117-Q119 WeakPolarHBondContact OD1-CB 3.39Å; D117-Q119 WeakPolarHBondContact OD1-CG 3.2Å; D117-Q119 PolarHBondContact OD1-N 3.35Å; Q119-R123 WeakPolarHBondContact O-CB 3.44Å; Q119-R123 PolarHBondContact O-N 2.93Å
120D96.2Very high95.9Very high23 Ų2354.3 Ų54.312%0.12324%0.237CC..Hα-helixtrans-62.3-45.9170.8-77.813.9000110.3A36 S37 F115 D117 K118 Q122 R123 I124A36-D120 VanDerWaalsContact CA-OD2 3.24Å; A36-D120 WeakPolarHBondContact CA-OD2 3.48Å; A36-D120 HydrophobicContact CB-CB 3.84Å; A36-D120 WeakPolarHBondContact CB-OD2 3.25Å; S37-D120 PolarHBondContact N-OD2 3.25Å; S37-D120 VanDerWaalsContact N-OD2 3.16Å; F115-D120 HydrophobicContact CD1-CB 4.02Å; D117-D120 HydrophobicContact CB-CB 4.19Å; D117-D120 WeakPolarHBondContact O-CB 3.48Å; D117-D120 PolarHBondContact O-N 3.44Å; K118-D120 VanDerWaalsContact C-N 3.35Å; D120-Q122 PolarHBondContact O-N 2.91Å; D120-R123 PolarHBondContact O-N 3.26Å; D120-R123 IonicContact OD1-CZ 2.69Å; D120-R123 IonicContact OD1-NE 3.64Å; D120-R123 IonicContact OD1-NH2 3.62Å; D120-R123 PolarHBondContact OD1-NH2 3.1Å; D120-R123 IonicContact OD2-NH2 2.91Å; D120-R123 PolarHBondContact OD2-NH2 2.9Å; D120-I124 VanDerWaalsContact O-CB 3.24Å; D120-I124 WeakPolarHBondContact O-CB 3.09Å; D120-I124 WeakPolarHBondContact O-CG1 3.34Å; D120-I124 PolarHBondContact O-N 3.41Å
121C96.1Very high95.8Very high0 Ų054.9 Ų54.90%024%0.24CC..Hα-helixtrans-54.3-51.4177.4-1650000112.4L96 P99 F115 D117 K118 A125L96-C121 VanDerWaalsContact CD1-SG 3.54Å; P99-C121 VanDerWaalsContact C-SG 3.57Å; P99-C121 PolarHBondContact O-SG 3.35Å; F115-C121 HydrophobicContact CB-CB 3.79Å; F115-C121 HydrophobicContact CD1-CB 4.22Å; F115-C121 HydrophobicContact CD2-CB 3.71Å; F115-C121 WeakPolarHBondContact CD2-SG 3.39Å; F115-C121 HydrophobicContact CE2-CB 4.37Å; F115-C121 HydrophobicContact CG-CB 3.64Å; D117-C121 PolarHBondContact O-N 3.03Å; K118-C121 WeakPolarHBondContact O-CB 3.35Å; K118-C121 PolarHBondContact O-N 3.3Å; C121-A125 WeakPolarHBondContact O-CB 3.43Å; C121-A125 PolarHBondContact O-N 3.3Å
122Q96.2Very high95.6Very high83 Ų8354.3 Ų54.339%0.38824%0.238SC..Hα-helixtrans-66.9-44.7-178.2-67.9174.929.300112.1L96 D98 K118 D120 A125 Q126L96-Q122 HydrophobicContact CD2-CG 4.17Å; D98-Q122 PolarHBondContact OD2-NE2 3.46Å; K118-Q122 WeakPolarHBondContact O-CG 3.35Å; K118-Q122 PolarHBondContact O-N 2.93Å; D120-Q122 PolarHBondContact O-N 2.91Å; Q122-A125 PolarHBondContact O-N 2.88Å; Q122-Q126 WeakPolarHBondContact O-CB 3.37Å; Q122-Q126 PolarHBondContact O-N 3.3Å
123R96.9Very high95.2Very high73 Ų7358.9 Ų58.928%0.27526%0.259SS..Hα-helixtrans-59.7-49176.5174.817254.276-3.5111.9D34 V35 Q119 D120 Q126 R127D34-R123 IonicContact OD1-CZ 3.47Å; D34-R123 IonicContact OD1-NH1 3.56Å; D34-R123 PolarHBondContact OD1-NH1 2.87Å; D34-R123 IonicContact OD2-NH1 2.65Å; V35-R123 VanDerWaalsContact O-CZ 3.28Å; V35-R123 PolarHBondContact O-NH1 3.31Å; V35-R123 PolarHBondContact O-NH2 3.31Å; Q119-R123 WeakPolarHBondContact O-CB 3.44Å; Q119-R123 PolarHBondContact O-N 2.93Å; D120-R123 PolarHBondContact O-N 3.26Å; D120-R123 IonicContact OD1-CZ 2.69Å; D120-R123 IonicContact OD1-NE 3.64Å; D120-R123 IonicContact OD1-NH2 3.62Å; D120-R123 PolarHBondContact OD1-NH2 3.1Å; D120-R123 IonicContact OD2-NH2 2.91Å; D120-R123 PolarHBondContact OD2-NH2 2.9Å; R123-Q126 PolarHBondContact O-N 3.01Å; R123-R127 WeakPolarHBondContact O-CB 3.32Å; R123-R127 PolarHBondContact O-N 2.95Å
124I96.9Very high94.8Very high0 Ų063 Ų630%028%0.278CS..Hα-helixtrans-66.1-43.9179.2-69.6-63.6000111.2D34 A36 L60 I62 L101 F115 D120 Q126 R127 M128D34-I124 HydrophobicContact CB-CD1 3.9Å; A36-I124 HydrophobicContact CB-CG1 4.04Å; L60-I124 HydrophobicContact CD2-CD1 4.04Å; L60-I124 HydrophobicContact CD2-CG1 4.5Å; L60-I124 HydrophobicContact CD2-CG2 4.12Å; I62-I124 HydrophobicContact CD1-CD1 3.7Å; I62-I124 HydrophobicContact CD1-CG2 4.24Å; I62-I124 HydrophobicContact CG1-CD1 4.15Å; L101-I124 HydrophobicContact CD2-CG2 4.19Å; F115-I124 HydrophobicContact CE1-CB 3.98Å; F115-I124 HydrophobicContact CE1-CG1 4Å; F115-I124 HydrophobicContact CE1-CG2 4.02Å; F115-I124 HydrophobicContact CZ-CB 4.1Å; F115-I124 HydrophobicContact CZ-CG2 3.75Å; D120-I124 VanDerWaalsContact O-CB 3.24Å; D120-I124 WeakPolarHBondContact O-CB 3.09Å; D120-I124 WeakPolarHBondContact O-CG1 3.34Å; D120-I124 PolarHBondContact O-N 3.41Å; I124-Q126 VanDerWaalsContact C-N 3.33Å; I124-Q126 PolarHBondContact O-N 3.08Å; I124-R127 PolarHBondContact O-N 3.07Å; I124-M128 HydrophobicContact CG2-CE 3.76Å; I124-M128 HydrophobicContact CG2-CG 4.35Å; I124-M128 HydrophobicContact CG2-SD 3.82Å; I124-M128 WeakPolarHBondContact O-CB 3.37Å; I124-M128 WeakPolarHBondContact O-CG 3.38Å; I124-M128 PolarHBondContact O-N 2.9Å
125A96.1Very high94.3Very high1 Ų160.4 Ų60.41%0.00827%0.269CS..Hα-helixtrans-62.1-37.8176.600000113L96 L101 C121 Q122 R129L96-A125 HydrophobicContact CB-CB 4.28Å; L96-A125 HydrophobicContact CD1-CB 4.01Å; L96-A125 HydrophobicContact CD2-CB 4.33Å; L96-A125 HydrophobicContact CG-CB 4.44Å; L101-A125 HydrophobicContact CD1-CB 3.67Å; L101-A125 HydrophobicContact CD2-CB 3.95Å; L101-A125 HydrophobicContact CG-CB 4.34Å; C121-A125 WeakPolarHBondContact O-CB 3.43Å; C121-A125 PolarHBondContact O-N 3.3Å; Q122-A125 PolarHBondContact O-N 2.88Å; A125-R129 WeakPolarHBondContact O-CB 3.45Å; A125-R129 PolarHBondContact O-N 2.92Å
126Q95.6Very high93.7Very high128 Ų12862.1 Ų62.160%0.59828%0.277SS*.Hα-helixtrans-67.9-44.2172.9-175.7175.4-4.700111.2Q122 R123 I124 R129 I130Q122-Q126 WeakPolarHBondContact O-CB 3.37Å; Q122-Q126 PolarHBondContact O-N 3.3Å; R123-Q126 PolarHBondContact O-N 3.01Å; I124-Q126 VanDerWaalsContact C-N 3.33Å; I124-Q126 PolarHBondContact O-N 3.08Å; Q126-R129 PolarHBondContact O-N 2.7Å; Q126-I130 HydrophobicContact CG-CD1 3.96Å; Q126-I130 WeakPolarHBondContact O-CG1 3.31Å; Q126-I130 PolarHBondContact O-N 2.91Å; Q126-I130 VanDerWaalsContact O-N 3.09Å
127R95.4Very high93.2Very high92 Ų9258.7 Ų58.735%0.34727%0.269SS..Hα-helixtrans-60-51.8178.5-167.370.263.6-148.3-8.2111.8V33 D34 I62 R123 I124 R129 I130 L131V33-R127 HydrophobicContact CG1-CG 4.03Å; D34-R127 HydrophobicContact CB-CG 4.28Å; D34-R127 IonicContact OD2-CZ 3.45Å; D34-R127 VanDerWaalsContact OD2-CZ 3.26Å; D34-R127 IonicContact OD2-NE 3.98Å; D34-R127 PolarHBondContact OD2-NE 2.79Å; D34-R127 IonicContact OD2-NH2 2.64Å; D34-R127 PolarHBondContact OD2-NH2 3.46Å; I62-R127 HydrophobicContact CD1-CB 3.84Å; I62-R127 HydrophobicContact CD1-CG 3.73Å; R123-R127 WeakPolarHBondContact O-CB 3.32Å; R123-R127 PolarHBondContact O-N 2.95Å; I124-R127 PolarHBondContact O-N 3.07Å; R127-R129 VanDerWaalsContact C-N 3.32Å; R127-R129 PolarHBondContact O-N 2.95Å; R127-I130 PolarHBondContact O-N 2.91Å; R127-L131 HydrophobicContact CG-CD1 4.28Å; R127-L131 WeakPolarHBondContact O-CG 3.49Å; R127-L131 PolarHBondContact O-N 2.95Å
128M95.3Very high92.6Very high0 Ų057.9 Ų57.90%027%0.265CS..Hα-helixtrans-59.2-41.5179.4-71.7177.2168.300111.8L60 I62 F73 F94 L101 I124 I130 L131 T132L60-M128 HydrophobicContact CD1-CE 4.25Å; L60-M128 HydrophobicContact CD2-CE 4.12Å; I62-M128 HydrophobicContact CD1-CE 4.13Å; I62-M128 HydrophobicContact CD1-CG 3.8Å; I62-M128 HydrophobicContact CG1-CE 4.03Å; F73-M128 HydrophobicContact CB-CE 3.77Å; F73-M128 HydrophobicContact CD1-CE 3.66Å; F73-M128 HydrophobicContact CD2-CE 3.76Å; F73-M128 HydrophobicContact CE1-CE 4.13Å; F73-M128 HydrophobicContact CE2-CE 4.22Å; F73-M128 HydrophobicContact CG-CE 3.45Å; F73-M128 VanDerWaalsContact CG-CE 3.45Å; F73-M128 HydrophobicContact CZ-CE 4.38Å; F94-M128 HydrophobicContact CD1-CB 4.21Å; F94-M128 HydrophobicContact CD1-SD 4.11Å; F94-M128 HydrophobicContact CD2-CB 4.46Å; F94-M128 HydrophobicContact CE1-CB 3.98Å; F94-M128 HydrophobicContact CE1-CG 4.23Å; F94-M128 HydrophobicContact CE1-SD 3.47Å; F94-M128 WeakPolarHBondContact CE1-SD 3.48Å; F94-M128 HydrophobicContact CE2-CB 4.22Å; F94-M128 HydrophobicContact CG-CB 4.44Å; F94-M128 HydrophobicContact CZ-CB 3.98Å; F94-M128 HydrophobicContact CZ-CG 4.34Å; F94-M128 HydrophobicContact CZ-SD 4.06Å; L101-M128 HydrophobicContact CD2-SD 3.58Å; L101-M128 VanDerWaalsContact CD2-SD 3.58Å; I124-M128 HydrophobicContact CG2-CE 3.76Å; I124-M128 HydrophobicContact CG2-CG 4.35Å; I124-M128 HydrophobicContact CG2-SD 3.82Å; I124-M128 WeakPolarHBondContact O-CB 3.37Å; I124-M128 WeakPolarHBondContact O-CG 3.38Å; I124-M128 PolarHBondContact O-N 2.9Å; M128-I130 PolarHBondContact O-N 2.88Å; M128-L131 PolarHBondContact O-N 3.06Å; M128-T132 WeakPolarHBondContact O-CB 3.4Å; M128-T132 PolarHBondContact O-N 3.31Å; M128-T132 PolarHBondContact O-OG1 3.47Å
129R92.6Very high91.9Very high92 Ų9254.3 Ų54.335%0.34726%0.257SS..Hα-helixtrans-62.2-43.2176.3-174.7170.3-66.7103.25.2112.6F94 A125 Q126 R127 T132 Q133F94-R129 PolarHBondContact O-NH2 2.81Å; A125-R129 WeakPolarHBondContact O-CB 3.45Å; A125-R129 PolarHBondContact O-N 2.92Å; Q126-R129 PolarHBondContact O-N 2.7Å; R127-R129 VanDerWaalsContact C-N 3.32Å; R127-R129 PolarHBondContact O-N 2.95Å; R129-T132 PolarHBondContact O-N 2.87Å; R129-Q133 WeakPolarHBondContact O-CB 3.47Å; R129-Q133 VanDerWaalsContact O-CG 3.3Å; R129-Q133 WeakPolarHBondContact O-CG 3.47Å; R129-Q133 PolarHBondContact O-N 2.84Å
130I93.4Very high90.6Very high78 Ų7855.2 Ų55.240%0.426%0.261SS..Hα-helixtrans-63.8-46.6177.4-67.8165.6000110.8Q126 R127 M128 T132 Q133 Q134Q126-I130 HydrophobicContact CG-CD1 3.96Å; Q126-I130 WeakPolarHBondContact O-CG1 3.31Å; Q126-I130 PolarHBondContact O-N 2.91Å; Q126-I130 VanDerWaalsContact O-N 3.09Å; R127-I130 PolarHBondContact O-N 2.91Å; M128-I130 PolarHBondContact O-N 2.88Å; I130-T132 PolarHBondContact O-N 3.45Å; I130-Q133 PolarHBondContact O-N 3.16Å; I130-Q134 PolarHBondContact O-N 2.86Å
131L93.4Very high88.9Confident20 Ų2058 Ų5811%0.10528%0.282CS..Hα-helixtrans-64-40.1179.1-63.8-179.4000112I62 H71 I88 R127 M128 Q134 E135I62-L131 HydrophobicContact CG2-CD1 3.59Å; H71-L131 HydrophobicContact CB-CD1 4.44Å; I88-L131 HydrophobicContact CD1-CB 4.5Å; I88-L131 HydrophobicContact CD1-CD1 4.07Å; I88-L131 HydrophobicContact CG2-CB 4.23Å; R127-L131 HydrophobicContact CG-CD1 4.28Å; R127-L131 WeakPolarHBondContact O-CG 3.49Å; R127-L131 PolarHBondContact O-N 2.95Å; M128-L131 PolarHBondContact O-N 3.06Å; L131-Q134 WeakPolarHBondContact O-CB 3.37Å; L131-Q134 PolarHBondContact O-N 3.18Å; L131-E135 WeakPolarHBondContact O-CG 3.39Å; L131-E135 PolarHBondContact O-N 2.87Å
132T92.2Very high86.9Confident8 Ų866.3 Ų66.35%0.04932%0.321CS..Hα-helixtrans-64.5-43.2176.8-52.30000111.5F94 M128 R129 I130 Q134 E135 Q136F94-T132 VanDerWaalsContact CE2-OG1 3.31Å; F94-T132 WeakPolarHBondContact CE2-OG1 3.3Å; M128-T132 WeakPolarHBondContact O-CB 3.4Å; M128-T132 PolarHBondContact O-N 3.31Å; M128-T132 PolarHBondContact O-OG1 3.47Å; R129-T132 PolarHBondContact O-N 2.87Å; I130-T132 PolarHBondContact O-N 3.45Å; T132-Q134 VanDerWaalsContact C-N 3.31Å; T132-Q134 PolarHBondContact O-N 2.77Å; T132-E135 PolarHBondContact O-N 2.83Å; T132-Q136 WeakPolarHBondContact O-CG 3.36Å; T132-Q136 PolarHBondContact O-N 3.07Å
133Q90.1Very high84.4Confident97 Ų9765.6 Ų65.645%0.45334%0.336SS..Hα-helixtrans-62.3-38.5173.8-74.5173.1-8.400111.9R129 I130 Q136 I137R129-Q133 WeakPolarHBondContact O-CB 3.47Å; R129-Q133 VanDerWaalsContact O-CG 3.3Å; R129-Q133 WeakPolarHBondContact O-CG 3.47Å; R129-Q133 PolarHBondContact O-N 2.84Å; I130-Q133 PolarHBondContact O-N 3.16Å; Q133-Q136 PolarHBondContact O-N 3.17Å; Q133-I137 VanDerWaalsContact O-CG1 3.3Å; Q133-I137 WeakPolarHBondContact O-CG1 3.38Å; Q133-I137 PolarHBondContact O-N 3.2Å
134Q89.1Confident81.8Confident86 Ų8665 Ų6540%0.40235%0.352SS..Hα-helixtrans-64.3-40.7176.3-175.658.388.500112.1I130 L131 T132 L138I130-Q134 PolarHBondContact O-N 2.86Å; L131-Q134 WeakPolarHBondContact O-CB 3.37Å; L131-Q134 PolarHBondContact O-N 3.18Å; T132-Q134 VanDerWaalsContact C-N 3.31Å; T132-Q134 PolarHBondContact O-N 2.77Å; Q134-L138 HydrophobicContact CG-CD1 4.12Å; Q134-L138 WeakPolarHBondContact O-CD1 3.38Å; Q134-L138 VanDerWaalsContact O-CG 3.25Å; Q134-L138 WeakPolarHBondContact O-CG 3.39Å; Q134-L138 PolarHBondContact O-N 3.15Å; Q134-L138 VanDerWaalsContact O-N 3.08Å
135E87.4Confident78.7Confident18 Ų1870.3 Ų70.38%0.08439%0.389CS..Hα-helixtrans-69.2-36.1173.7-67.5-63148.300112.4R70 H71 L131 T132 L138 A139R70-E135 IonicContact CZ-OE1 3.85Å; R70-E135 IonicContact CZ-OE2 3.99Å; R70-E135 IonicContact NE-OE1 3.53Å; R70-E135 PolarHBondContact NE-OE1 3.19Å; R70-E135 IonicContact NE-OE2 3.26Å; R70-E135 IonicContact NH2-OE1 2.68Å; R70-E135 PolarHBondContact NH2-OE1 2.87Å; R70-E135 IonicContact NH2-OE2 2.88Å; R70-E135 PolarHBondContact NH2-OE2 2.78Å; H71-E135 IonicContact CE1-OE1 2.73Å; H71-E135 IonicContact ND1-OE1 3.67Å; H71-E135 PolarHBondContact ND1-OE1 3.44Å; L131-E135 WeakPolarHBondContact O-CG 3.39Å; L131-E135 PolarHBondContact O-N 2.87Å; T132-E135 PolarHBondContact O-N 2.83Å; E135-L138 PolarHBondContact O-N 3.37Å; E135-A139 WeakPolarHBondContact O-CB 3.44Å; E135-A139 PolarHBondContact O-N 3.48Å
136Q85.8Confident76Confident38 Ų3877.1 Ų77.118%0.17842%0.424CS..Hα-helixtrans-60.9-46.6171.5-76.7179.4-2.300111.9K90 T132 Q133 L138 A139 Q140K90-Q136 HydrophobicContact CB-CB 4.48Å; K90-Q136 HydrophobicContact CB-CG 3.72Å; K90-Q136 PolarHBondContact O-NE2 3.06Å; T132-Q136 WeakPolarHBondContact O-CG 3.36Å; T132-Q136 PolarHBondContact O-N 3.07Å; Q133-Q136 PolarHBondContact O-N 3.17Å; Q136-L138 VanDerWaalsContact C-N 3.34Å; Q136-L138 PolarHBondContact O-N 2.71Å; Q136-A139 PolarHBondContact O-N 3.32Å; Q136-Q140 WeakPolarHBondContact O-CG 3.4Å; Q136-Q140 PolarHBondContact O-N 3.19Å
137I85.7Confident73.3Confident98 Ų9876.4 Ų76.450%0.50343%0.434SS..Hα-helixtrans-62-41.9177.6-69.5163.5000111Q133 Q140 S141Q133-I137 VanDerWaalsContact O-CG1 3.3Å; Q133-I137 WeakPolarHBondContact O-CG1 3.38Å; Q133-I137 PolarHBondContact O-N 3.2Å; I137-Q140 PolarHBondContact O-N 2.96Å; I137-S141 PolarHBondContact O-N 3.07Å; I137-S141 PolarHBondContact O-OG 2.77Å
138L83.3Confident70.7Confident53 Ų5377.3 Ų77.328%0.27745%0.451SS..Hα-helixtrans-70.8-30.3179.2-69.2166.1000112.7Q134 E135 Q136 S141 Q142Q134-L138 HydrophobicContact CG-CD1 4.12Å; Q134-L138 WeakPolarHBondContact O-CD1 3.38Å; Q134-L138 VanDerWaalsContact O-CG 3.25Å; Q134-L138 WeakPolarHBondContact O-CG 3.39Å; Q134-L138 PolarHBondContact O-N 3.15Å; Q134-L138 VanDerWaalsContact O-N 3.08Å; E135-L138 PolarHBondContact O-N 3.37Å; Q136-L138 VanDerWaalsContact C-N 3.34Å; Q136-L138 PolarHBondContact O-N 2.71Å; L138-S141 PolarHBondContact O-OG 3.06Å; L138-Q142 WeakPolarHBondContact O-CG 3.36Å; L138-Q142 PolarHBondContact O-N 2.95Å
139A77.2Confident67.9Low39 Ų3988.5 Ų88.532%0.32249%0.493SS..Hα-helixtrans-72.2-34.5170.400000112.5K90 E135 Q136 G143K90-A139 HydrophobicContact CD-CB 3.75Å; E135-A139 WeakPolarHBondContact O-CB 3.44Å; E135-A139 PolarHBondContact O-N 3.48Å; Q136-A139 PolarHBondContact O-N 3.32Å; A139-G143 PolarHBondContact O-N 2.97Å
140Q68Low65.3Low133 Ų13388.3 Ų88.362%0.62151%0.512SS*.Hα-helixtrans-73.9-39.8176.3-72.7177.51700112.3Q136 I137 Q142 G143 G144Q136-Q140 WeakPolarHBondContact O-CG 3.4Å; Q136-Q140 PolarHBondContact O-N 3.19Å; I137-Q140 PolarHBondContact O-N 2.96Å; Q140-Q142 VanDerWaalsContact C-N 3.28Å; Q140-Q142 PolarHBondContact O-N 3.23Å; Q140-G143 CarbonylContact O-C 3.53Å; Q140-G143 PolarHBondContact O-N 2.83Å; Q140-G144 WeakPolarHBondContact O-CA 3.29Å; Q140-G144 PolarHBondContact O-N 2.77Å
141S61.5Low62.6Low80 Ų8089.6 Ų89.656%0.55953%0.534SS*.Hα-helixtrans-68.8-2617765.40000113.2I137 L138 G143I137-S141 PolarHBondContact O-N 3.07Å; I137-S141 PolarHBondContact O-OG 2.77Å; L138-S141 PolarHBondContact O-OG 3.06Å; S141-G143 VanDerWaalsContact C-N 3.34Å
142Q52.2Low60.2Low175 Ų17593.3 Ų93.382%0.81857%0.567SS**THydrogen-bonded Turntrans-80.2-8.5167.9-72-171.4-14.600114.2L138 Q140L138-Q142 WeakPolarHBondContact O-CG 3.36Å; L138-Q142 PolarHBondContact O-N 2.95Å; Q140-Q142 VanDerWaalsContact C-N 3.28Å; Q140-Q142 PolarHBondContact O-N 3.23Å
143G44.7Very low57.6Low68 Ų6896.9 Ų96.970%0.70161%0.606SS**THydrogen-bonded Turntrans-127.4-2-173.100000116.7A139 Q140 S141A139-G143 PolarHBondContact O-N 2.97Å; Q140-G143 CarbonylContact O-C 3.53Å; Q140-G143 PolarHBondContact O-N 2.83Å; S141-G143 VanDerWaalsContact C-N 3.34Å
144G41.4Very low55Low61 Ų6196.3 Ų96.363%0.62963%0.626SS**  trans-145.964.4-163.200000115.7Q140Q140-G144 WeakPolarHBondContact O-CA 3.29Å; Q140-G144 PolarHBondContact O-N 2.77Å
145S33.4Very low52.5Low111 Ų11196 Ų9678%0.77665%0.646SS**  trans-160.5121.8167-1600000108
146I38.5Very low50.1Low145 Ų14599.1 Ų99.174%0.74468%0.683SS**  cis-137.3157.812.446.5174.9000111
147S38.4Very low47.7Very low113 Ų113101.3 Ų101.379%0.7972%0.715SS**  trans-135.391.5162.1-173.50000110.8R149S147-R149 VanDerWaalsContact C-N 3.34Å; S147-R149 PolarHBondContact O-N 2.89Å
148P41.3Very low45.2Very low110 Ų110100.8 Ų100.871%0.71474%0.735SS**  trans-75.988.5170.231.2-31.3000108.9A150P148-A150 PolarHBondContact O-N 2.73Å; P148-A150 VanDerWaalsContact O-N 3.12Å
149R36.2Very low42.8Very low235 Ų235101.6 Ų101.689%0.88776%0.755SS**  trans-52.7119.1170.5169.5174.5164.9155.7-5.5109S147 A151S147-R149 VanDerWaalsContact C-N 3.34Å; S147-R149 PolarHBondContact O-N 2.89Å; R149-A151 PolarHBondContact O-N 2.96Å
150A38Very low40.6Very low89 Ų89108 Ų10874%0.73678%0.783SS**  trans-62.3118.8-176.200000111.7P148P148-A150 PolarHBondContact O-N 2.73Å; P148-A150 VanDerWaalsContact O-N 3.12Å
151A37.9Very low39Very low105 Ų105106.8 Ų106.887%0.86880%0.796SS**  trans-91.4100.115500000106.9R149R149-A151 PolarHBondContact O-N 2.96Å
152A41.9Very low37.6Very low97 Ų97106.8 Ų106.880%0.80281%0.809SS**  trans-99.7146-177.600000111.5
153G37.6Very low36.9Very low84 Ų84101.9 Ų101.987%0.86681%0.805SS**  trans84.9117.6-168.600000110.8
154G35.6Very low36.3Very low85 Ų85106.1 Ų106.188%0.87681%0.812SS**  cis140.8152.410.100000107.7
155G37.1Very low36.3Very low80 Ų80111.7 Ų111.783%0.82583%0.827SS**  cis176153.1-5.200000109.4
156G35.6Very low36.8Very low82 Ų82113 Ų11385%0.84582%0.821SS**  trans87164.8176.500000116.2
157G35.3Very low37.5Very low84 Ų84111.1 Ų111.187%0.86683%0.827SS**  trans86.399.7172.500000115.2
158G34.5Very low38.1Very low88 Ų88112.9 Ų112.991%0.90782%0.821SS**  trans-91.4175.1174.500000113.6
159G32.1Very low38.7Very low69 Ų69112.4 Ų112.471%0.71183%0.826SS**  trans140.4110.7162.300000116.7
160L30.9Very low40.2Very low173 Ų173106.3 Ų106.391%0.90681%0.814SS**  trans64.2125142.8-50.9179.7000121.6
161A35.9Very low42.2Very low108 Ų108106 Ų10689%0.89380%0.8SS**  trans67.1161.2140.400000120.2
162G31.2Very low44.5Very low80 Ų80106.1 Ų106.183%0.82579%0.786SS**  trans109.276.8176.900000113.9
163G37.3Very low46.5Very low72 Ų72105.9 Ų105.974%0.74277%0.77SS**  trans-81.2141.317000000111.8
164N32.7Very low48.6Very low158 Ų158108.2 Ų108.285%0.84576%0.758SS**  trans-148.6104.2161.7-100.6-30.3000108.6E166N164-E166 PolarHBondContact O-N 3.38Å
165N41.9Very low51.1Low177 Ų177109 Ų10995%0.94774%0.74SS**  trans-81.165.5177.7-73.6-30.5000110.5A167N165-A167 PolarHBondContact O-N 3.06Å
166E43.2Very low53.4Low139 Ų139110 Ų11065%0.6573%0.726SS**  trans-65.1128.1167.7-168.1-171.812000109N164 K168N164-E166 PolarHBondContact O-N 3.38Å; E166-K168 PolarHBondContact O-N 3.24Å; E166-K168 WeakPolarHBondContact OE1-CE 3.4Å; E166-K168 IonicContact OE1-NZ 3.57Å
167A53.4Low55.7Low105 Ų105108.4 Ų108.487%0.86870%0.7SS**  trans-75.760.2-172.600000113.1N165 A169N165-A167 PolarHBondContact O-N 3.06Å; A167-A169 PolarHBondContact O-N 3.34Å
168K49.8Very low57.9Low151 Ų151110.6 Ų110.666%0.65769%0.686SS**  trans-63.8130.2170.4-68.3-179.6-177.6173.40108.9E166 V170E166-K168 PolarHBondContact O-N 3.24Å; E166-K168 WeakPolarHBondContact OE1-CE 3.4Å; E166-K168 IonicContact OE1-NZ 3.57Å; K168-V170 PolarHBondContact O-N 3.03Å; K168-V170 VanDerWaalsContact O-N 3.13Å
169A54.2Low60.1Low100 Ų100109.1 Ų109.183%0.82667%0.665SS**  trans-55.1119.8178.700000109.7A167 D171A167-A169 PolarHBondContact O-N 3.34Å; A169-D171 PolarHBondContact O-N 2.89Å; A169-D171 VanDerWaalsContact O-N 3.12Å
170V67.4Low62.4Low106 Ų106111.2 Ų111.264%0.64265%0.651SS**  trans-70.8109.7-176178.70000108.7K168 I172 M175K168-V170 PolarHBondContact O-N 3.03Å; K168-V170 VanDerWaalsContact O-N 3.13Å; V170-I172 PolarHBondContact O-N 2.88Å; V170-M175 HydrophobicContact CG1-CB 4.08Å; V170-M175 HydrophobicContact CG1-SD 4.43Å
171D80.1Confident64.7Low82 Ų82106.6 Ų106.644%0.43963%0.63SS.*  trans-61.5120.2170.3169.427.6000109.5A169 I173 Q174 M175A169-D171 PolarHBondContact O-N 2.89Å; A169-D171 VanDerWaalsContact O-N 3.12Å; D171-I173 PolarHBondContact O-N 3.42Å; D171-I173 WeakPolarHBondContact OD1-CB 3.35Å; D171-I173 PolarHBondContact OD1-N 2.94Å; D171-Q174 HydrophobicContact CB-CB 3.91Å; D171-Q174 WeakPolarHBondContact O-CB 3.43Å; D171-Q174 PolarHBondContact O-N 2.94Å; D171-Q174 WeakPolarHBondContact OD2-CB 3.37Å; D171-Q174 PolarHBondContact OD2-N 3.3Å; D171-M175 PolarHBondContact O-N 2.72Å
172I86.6Confident66.5Low109 Ų109107 Ų10756%0.55961%0.614SS**Hα-helixtrans-61.1-34.1179.3-59173.6000110.1V170 M175 L176V170-I172 PolarHBondContact O-N 2.88Å; I172-M175 HydrophobicContact CG2-CE 4.34Å; I172-M175 PolarHBondContact O-N 2.89Å; I172-L176 HydrophobicContact CG2-CD1 3.92Å; I172-L176 HydrophobicContact CG2-CG 4.31Å; I172-L176 WeakPolarHBondContact O-CB 3.1Å; I172-L176 VanDerWaalsContact O-CG 3.26Å; I172-L176 WeakPolarHBondContact O-CG 3.43Å; I172-L176 PolarHBondContact O-N 3.23Å
173I84.6Confident68.7Low91 Ų91110.8 Ų110.847%0.46760%0.604SS.*Hα-helixtrans-68.1-44.1177-52.7-57000110.4D171 T177D171-I173 PolarHBondContact O-N 3.42Å; D171-I173 WeakPolarHBondContact OD1-CB 3.35Å; D171-I173 PolarHBondContact OD1-N 2.94Å; I173-T177 VanDerWaalsContact O-CB 3.28Å; I173-T177 WeakPolarHBondContact O-CB 3.46Å; I173-T177 PolarHBondContact O-N 3.05Å; I173-T177 PolarHBondContact O-OG1 3.4Å
174Q82.3Confident70.3Confident134 Ų134110.9 Ų110.963%0.62659%0.588SS**Hα-helixtrans-61.3-44.1173.1-169.5177.260.700112D171 T177 K178D171-Q174 HydrophobicContact CB-CB 3.91Å; D171-Q174 WeakPolarHBondContact O-CB 3.43Å; D171-Q174 PolarHBondContact O-N 2.94Å; D171-Q174 WeakPolarHBondContact OD2-CB 3.37Å; D171-Q174 PolarHBondContact OD2-N 3.3Å; Q174-T177 PolarHBondContact O-N 2.7Å; Q174-K178 PolarHBondContact O-N 2.92Å
175M86.7Confident72Confident102 Ų102111.9 Ų111.950%0.50259%0.585SS.*Hα-helixtrans-60.4-49.8177.1-176.7179.867.400112.2V170 D171 I172 T177 K178 A179V170-M175 HydrophobicContact CG1-CB 4.08Å; V170-M175 HydrophobicContact CG1-SD 4.43Å; D171-M175 PolarHBondContact O-N 2.72Å; I172-M175 HydrophobicContact CG2-CE 4.34Å; I172-M175 PolarHBondContact O-N 2.89Å; M175-T177 VanDerWaalsContact C-N 3.31Å; M175-T177 PolarHBondContact O-N 3.5Å; M175-K178 PolarHBondContact O-N 2.99Å; M175-A179 PolarHBondContact O-N 3.35Å
176L85.1Confident72.6Confident100 Ų100107.5 Ų107.552%0.52457%0.568SS.*Hα-helixtrans-65.1-35.3177.5-69.6171.6000112.1I172 R180I172-L176 HydrophobicContact CG2-CD1 3.92Å; I172-L176 HydrophobicContact CG2-CG 4.31Å; I172-L176 WeakPolarHBondContact O-CB 3.1Å; I172-L176 VanDerWaalsContact O-CG 3.26Å; I172-L176 WeakPolarHBondContact O-CG 3.43Å; I172-L176 PolarHBondContact O-N 3.23Å; L176-R180 PolarHBondContact O-N 3.47Å
177T84Confident72.6Confident48 Ų48105 Ų10529%0.29456%0.563SS.*Hα-helixtrans-66.4-42.3175.5-54.30000111I173 Q174 M175 R180 T181 R593I173-T177 VanDerWaalsContact O-CB 3.28Å; I173-T177 WeakPolarHBondContact O-CB 3.46Å; I173-T177 PolarHBondContact O-N 3.05Å; I173-T177 PolarHBondContact O-OG1 3.4Å; Q174-T177 PolarHBondContact O-N 2.7Å; M175-T177 VanDerWaalsContact C-N 3.31Å; M175-T177 PolarHBondContact O-N 3.5Å; T177-R180 PolarHBondContact O-N 3.24Å; T177-T181 PolarHBondContact O-N 2.98Å; T177-T181 VanDerWaalsContact O-N 3.11Å; T177-T181 PolarHBondContact O-OG1 3.02Å; T177-R593 PolarHBondContact OG1-NH1 3.34Å; T177-R593 PolarHBondContact OG1-NH2 2.91Å
178K83Confident72.2Confident131 Ų131104.7 Ų104.757%0.5755%0.554SS**Hα-helixtrans-62.6-46.6175-172.3-175.1175.1-170.70111.7Q174 M175 R180 T181 E182Q174-K178 PolarHBondContact O-N 2.92Å; M175-K178 PolarHBondContact O-N 2.99Å; K178-R180 VanDerWaalsContact C-N 3.31Å; K178-R180 PolarHBondContact O-N 2.95Å; K178-T181 WeakPolarHBondContact CA-OG1 3.22Å; K178-T181 PolarHBondContact O-N 2.88Å; K178-T181 VanDerWaalsContact O-N 3.08Å; K178-T181 PolarHBondContact O-OG1 2.88Å; K178-E182 PolarHBondContact O-N 2.93Å; K178-E182 VanDerWaalsContact O-N 3.11Å
179A80.8Confident71.7Confident57 Ų57105.5 Ų105.547%0.47156%0.56SS.*Hα-helixtrans-57.1-44.1177.700000111.8M175 T181 E182 Y183M175-A179 PolarHBondContact O-N 3.35Å; A179-T181 PolarHBondContact O-N 3Å; A179-E182 PolarHBondContact O-N 3.45Å; A179-Y183 PolarHBondContact O-N 3.47Å
180R79.6Confident71.1Confident112 Ų112107 Ų10742%0.42356%0.561SS.*Hα-helixtrans-59.6-43.4174.1-170.9-176174.8-61.7-25.1112.1L176 T177 K178 E182 Y183 D184L176-R180 PolarHBondContact O-N 3.47Å; T177-R180 PolarHBondContact O-N 3.24Å; K178-R180 VanDerWaalsContact C-N 3.31Å; K178-R180 PolarHBondContact O-N 2.95Å; R180-E182 VanDerWaalsContact C-N 3.33Å; R180-E182 PolarHBondContact O-N 3.23Å; R180-Y183 PolarHBondContact O-N 3.35Å; R180-D184 IonicContact CZ-OD1 3.73Å; R180-D184 IonicContact CZ-OD2 3.88Å; R180-D184 IonicContact NH1-OD2 3Å; R180-D184 PolarHBondContact NH1-OD2 2.97Å; R180-D184 IonicContact NH2-OD1 2.75Å; R180-D184 IonicContact NH2-OD2 3.53Å; R180-D184 PolarHBondContact NH2-OD2 3.01Å; R180-D184 PolarHBondContact O-N 2.88Å
181T78.6Confident69.8Low77 Ų77109.9 Ų109.947%0.47257%0.565SS.*Hα-helixtrans-69-24.9-18050.40000114.7T177 K178 A179 K185T177-T181 PolarHBondContact O-N 2.98Å; T177-T181 VanDerWaalsContact O-N 3.11Å; T177-T181 PolarHBondContact O-OG1 3.02Å; K178-T181 WeakPolarHBondContact CA-OG1 3.22Å; K178-T181 PolarHBondContact O-N 2.88Å; K178-T181 VanDerWaalsContact O-N 3.08Å; K178-T181 PolarHBondContact O-OG1 2.88Å; A179-T181 PolarHBondContact O-N 3Å; T181-K185 VanDerWaalsContact O-CB 3.23Å; T181-K185 WeakPolarHBondContact O-CB 3.25Å; T181-K185 PolarHBondContact O-N 3.05Å
182E73.7Confident67.9Low117 Ų117114.1 Ų114.155%0.54758%0.582SS.*Hα-helixtrans-84.1-31173.4-65.5-167.5141.600112.1K178 A179 R180 S186K178-E182 PolarHBondContact O-N 2.93Å; K178-E182 VanDerWaalsContact O-N 3.11Å; A179-E182 PolarHBondContact O-N 3.45Å; R180-E182 VanDerWaalsContact C-N 3.33Å; R180-E182 PolarHBondContact O-N 3.23Å; E182-S186 PolarHBondContact O-N 2.79Å; E182-S186 PolarHBondContact O-OG 3.45Å
183Y76.8Confident65.6Low159 Ų159116.8 Ų116.862%0.62460%0.596SS**Hα-helixtrans-64.8-54.7170.5-171.7-97.5000111.9A179 R180 K185 S186 T187A179-Y183 PolarHBondContact O-N 3.47Å; R180-Y183 PolarHBondContact O-N 3.35Å; Y183-K185 PolarHBondContact O-N 2.86Å; Y183-K185 VanDerWaalsContact O-N 3.1Å; Y183-S186 PolarHBondContact O-N 2.72Å; Y183-S186 PolarHBondContact O-OG 3.15Å; Y183-T187 HydrophobicContact CE1-CG2 4.17Å; Y183-T187 PolarHBondContact O-N 2.93Å; Y183-T187 PolarHBondContact O-OG1 3.42Å
184D72.3Confident63.2Low73 Ų73116.7 Ų116.739%0.3962%0.617SS.*Hα-helixtrans-57.8-29.5178.2-734.5000112.4R180 T187R180-D184 IonicContact CZ-OD1 3.73Å; R180-D184 IonicContact CZ-OD2 3.88Å; R180-D184 IonicContact NH1-OD2 3Å; R180-D184 PolarHBondContact NH1-OD2 2.97Å; R180-D184 IonicContact NH2-OD1 2.75Å; R180-D184 IonicContact NH2-OD2 3.53Å; R180-D184 PolarHBondContact NH2-OD2 3.01Å; R180-D184 PolarHBondContact O-N 2.88Å; D184-T187 PolarHBondContact O-OG1 3.37Å
185K68.8Low61.1Low179 Ų179113.4 Ų113.478%0.77862%0.619SS**Hα-helixtrans-79.2-21.9178.3-174.9-172.6171.4-158.30113.3T181 Y183T181-K185 VanDerWaalsContact O-CB 3.23Å; T181-K185 WeakPolarHBondContact O-CB 3.25Å; T181-K185 PolarHBondContact O-N 3.05Å; Y183-K185 PolarHBondContact O-N 2.86Å; Y183-K185 VanDerWaalsContact O-N 3.1Å
186S54.3Low58.7Low85 Ų85114.2 Ų114.259%0.59464%0.635SS**Hα-helixtrans-95.6-10.5-178.744.10000113.8E182 Y183 S188E182-S186 PolarHBondContact O-N 2.79Å; E182-S186 PolarHBondContact O-OG 3.45Å; Y183-S186 PolarHBondContact O-N 2.72Å; Y183-S186 PolarHBondContact O-OG 3.15Å; S186-S188 PolarHBondContact O-N 3.09Å
187T43.7Very low56.6Low88 Ų88114.2 Ų114.254%0.5464%0.644SS.*  trans-92.569.8176.252.20000113.1Y183 D184Y183-T187 HydrophobicContact CE1-CG2 4.17Å; Y183-T187 PolarHBondContact O-N 2.93Å; Y183-T187 PolarHBondContact O-OG1 3.42Å; D184-T187 PolarHBondContact O-OG1 3.37Å
188S43.4Very low54.5Low98 Ų98118.6 Ų118.669%0.68567%0.67SS**  trans-112118.9160.960.40000109.8S186S186-S188 PolarHBondContact O-N 3.09Å
189E39.3Very low52.8Low168 Ų168120.3 Ų120.379%0.78568%0.684SS**  trans-55130.1-174.9-80.5178.179.500114.1
190P41.4Very low50.7Low130 Ų130124 Ų12484%0.84471%0.705SS**  trans-76.6128.2153-0.819.2000108.9
191K39.9Very low48.5Very low168 Ų168121.5 Ų121.573%0.7371%0.714SS**  trans-112.6119.8-174.4-167.6157.8-167.7130.70113.9
192E40.6Very low46.6Very low170 Ų170125.5 Ų125.579%0.79473%0.733SS**  trans64.8137.9165.8-63.8-64.292.300119.3
193I38Very low46Very low165 Ų165124.9 Ų124.985%0.84674%0.739SS**  trans-103.9126.3178.3-67.9173.3000110.6G195I193-G195 PolarHBondContact O-N 2.89Å
194G36Very low44.4Very low89 Ų89123.7 Ų123.792%0.91874%0.744SS**  trans-93.149.9-178.100000116.8
195G36.6Very low43Very low65 Ų65127.4 Ų127.467%0.6776%0.762SS**  trans85.3173.115400000121.5I193I193-G195 PolarHBondContact O-N 2.89Å
196S36.8Very low42Very low120 Ų120125.7 Ų125.784%0.83976%0.76SS**  trans85.799.3169.3-157.10000120.9
197S40.7Very low41.4Very low100 Ų100130.9 Ų130.970%0.69977%0.772SS**  20.3127124.6-174.80000120.2
198V39.7Very low41.4Very low140 Ų140132.4 Ų132.485%0.84878%0.783SS**  -157.9151.7113.2134.10000111.1
199L47Very low41.4Very low166 Ų166134.8 Ų134.887%0.86979%0.787SS**  trans-88.6139.1179.8-63.1162.4000112
200C38.1Very low41.2Very low134 Ų134132.6 Ų132.691%0.90579%0.787SS**  trans-157.3144.7134.2-159.50000109.7
201G33.7Very low40.9Very low60 Ų60133.1 Ų133.162%0.61979%0.788SS**  trans-144.4160.7177.300000111.4
202N38Very low40.9Very low161 Ų161134.5 Ų134.586%0.86179%0.794SS**  trans-150.8150.7163.9-103-33.7000109.9
203P61.1Low40.6Very low104 Ų104132.5 Ų132.568%0.67580%0.796SS**  -138.769.6-12735.6-13.1000112.2
204N43.2Very low40.1Very low135 Ų135132.1 Ų132.172%0.72280%0.795SS**  trans-127.1114.3-176.6-79.9-63.9000113
205L42.8Very low40.1Very low150 Ų150133.2 Ų133.279%0.78578%0.784SS**  trans58.9129.6137.6-52.6179.4000118.3
206I46.9Very low39.9Very low143 Ų143138.5 Ų138.573%0.73379%0.791SS**  cis-147.5148.70.2-91.8144.7000106.9
207K43.3Very low39.7Very low195 Ų195139.3 Ų139.385%0.84878%0.782SS**PPolyproline II helixtrans-94.1117.2171.3-65.8-178.8-178.4178.60110.8
208P42.2Very low39Very low119 Ų119141.4 Ų141.477%0.77378%0.78SS**PPolyproline II helixtrans-69.1148.4164.529.1-32.5000110.7
209I43.7Very low38.5Very low149 Ų149141.1 Ų141.176%0.76477%0.77SS**PPolyproline II helixtrans-93134.6-167.6-62.3167.1000110.8V211I209-V211 PolarHBondContact O-N 3.44Å
210P34.8Very low37.7Very low122 Ų122141.3 Ų141.379%0.79277%0.766SS**  trans-68.3113.6172.4-18.131.6000111.9
211V35.5Very low37.2Very low140 Ų140143.8 Ų143.885%0.84876%0.764SS**PPolyproline II helixtrans-81130.9170-800000110.9I209I209-V211 PolarHBondContact O-N 3.44Å
212K39.8Very low37.7Very low198 Ų198146.4 Ų146.486%0.86177%0.769SS**PPolyproline II helixtrans-91.6140.1174.1-65.5177.6179177.20110.3
213P35.1Very low37.2Very low128 Ų128146.2 Ų146.283%0.83177%0.768SS**PPolyproline II helixtrans-76.1139.3160.532.4-32000110.1
214N27.7Very low35.5Very low156 Ų156150.3 Ų150.383%0.83478%0.775SS**  trans-149.7156.9160.5-166.328.3000110.7
215T35.7Very low34.8Very low112 Ų112148.6 Ų148.669%0.68777%0.773SS**  trans-94.6155.1-16750.20000115
216Q31.6Very low34.4Very low176 Ų176148.4 Ų148.482%0.82277%0.773SS**  trans-144152.9154.1-68-169.9-31.200107.2
217H32.4Very low34.2Very low137 Ų137147 Ų14763%0.63477%0.773SS**  cis-164.8148-29.9-105.1-34.6000107.5
218Q27.2Very low33.8Very low144 Ų144144.1 Ų144.167%0.67377%0.772SS**  trans41.6144.7134.1-69.3173.3-17.900121.3
219H28.3Very low34.5Very low135 Ų135143.8 Ų143.863%0.62577%0.77SS**  cis-155.6176.320-81.5-68.5000113.2
220H29.5Very low35Very low170 Ų170142.3 Ų142.379%0.78777%0.77SS**  trans93.2114.7148-58.4-55000121.8
221H29.6Very low34.9Very low186 Ų186144.4 Ų144.486%0.86177%0.774SS**  trans-100.7-177.9153.1-63-58.4000108.4
222P42.8Very low34.8Very low114 Ų114141.6 Ų141.674%0.7477%0.765SS**  cis-129.5-170.210.642.6-22.1000113.7
223L27.6Very low34.5Very low158 Ų158136.8 Ų136.883%0.82776%0.762SS**  cis-164.516446.3-157.784.2000113.9
224K26.7Very low34.5Very low190 Ų190135.7 Ų135.783%0.82676%0.758SS**  trans-37.9170.2165.5-80.8-176.7168.2-175.50118.7
225S27.5Very low34.7Very low98 Ų98134.9 Ų134.969%0.68576%0.758SS**  cis-174.2177.3-13.853.90000111.7
226D33.4Very low34.6Very low147 Ų147133.6 Ų133.679%0.78676%0.759SS**  trans-67.8-174.4176.6-37.6-104.1000115.1
227P43.3Very low34.6Very low113 Ų113130.5 Ų130.573%0.73476%0.763SS**  cis-144.2168.8-1.441.6-20.9000120.2
228V34.7Very low34.5Very low134 Ų134127.9 Ų127.981%0.81277%0.774SS**  trans19.7153.5135.1-171.10000122.6
229P58.4Low34.7Very low113 Ų113131 Ų13173%0.73479%0.785SS**  cis-117.7-109.3-0.224.72.3000115.8
230P53.3Low34.8Very low118 Ų118129.1 Ų129.177%0.76679%0.793SS**  cis-121.4-1021438.5-16.8000119.2
231L32.3Very low34.9Very low166 Ų166125.8 Ų125.887%0.86980%0.795SS**  trans-154.1170.8-154.4-122.970.2000112.5
232A34.9Very low35.3Very low81 Ų81128.7 Ų128.767%0.66980%0.798SS**  cis-160.6160.77.800000115.2
233A33.4Very low35.2Very low96 Ų96129 Ų12979%0.79380%0.801SS**  trans53.7135.6149.200000121.7
234S33.3Very low35.9Very low106 Ų106127 Ų12774%0.74180%0.797SS**  cis-163.6-167.9-10-77.60000106.4
235T32.3Very low36Very low138 Ų138124 Ų12485%0.84779%0.794SS**  cis-162.9-179.78.5-17.10000105.9
236A33.3Very low36.1Very low86 Ų86123.4 Ų123.471%0.71180%0.795SS**  cis-158.5176.91.500000111.5
237A32.8Very low36Very low110 Ų110126.9 Ų126.991%0.90980%0.797SS**  trans22.4113.8155.300000122.4
238G29.8Very low35.2Very low83 Ų83127 Ų12786%0.85680%0.796SS**  trans-174.2117.5159.700000112
239K31.3Very low34.8Very low210 Ų210128 Ų12891%0.91380%0.796SS**  trans-85.5149.6-167.3-79.5-179.3174.2177.30115.2
240A31.5Very low33.4Very low94 Ų94129 Ų12978%0.77780%0.8SS**  trans46.4121.4143.300000119.6
241A30.7Very low32Very low101 Ų101132.2 Ų132.284%0.83580%0.798SS**  cis96.7137.148.800000114.3
242R38.4Very low31.7Very low246 Ų246133 Ų13393%0.92880%0.797SS**  trans-76159.7-177.2-63.2173.6172.6170.4-4.6112.8
243P39.9Very low31.3Very low122 Ų122133.2 Ų133.279%0.79279%0.787SS**  -142.3174.1122.936-21.2000115.1
244P42.5Very low31.2Very low115 Ų115134.3 Ų134.375%0.74779%0.789SS**  trans-117166.7-176.741.7-31.9000116.3
245V29.7Very low31.2Very low128 Ų128136.3 Ų136.378%0.77679%0.791SS**  trans39.6101.2147-175.80000120.5
246A29.4Very low31Very low84 Ų84136.4 Ų136.469%0.69479%0.786SS**  trans36.1131.1133.300000123.7
247R31.6Very low30.7Very low221 Ų221138.4 Ų138.483%0.83480%0.795SS**  -180147.7111.1-104-179.8-177.388-3.5116.2
248T26.4Very low30.4Very low115 Ų115136.3 Ų136.371%0.70678%0.784SS**  trans74.6140143-58.60000121.5
249L26.4Very low30.4Very low155 Ų155143.6 Ų143.681%0.81279%0.785SS**  trans2.9147.6155.4-52.4167.4000119.1
250T27.6Very low30.3Very low134 Ų134141.2 Ų141.282%0.82278%0.783SS**  -154.1174.151.235.40000116.1
251Y25.5Very low30.3Very low185 Ų185143.1 Ų143.173%0.72578%0.784SS**  trans-39157.5160.7-149.3-116.7000116D253Y251-D253 HydrophobicContact CD1-CB 4.44Å; Y251-D253 HydrophobicContact CE1-CB 3.97Å
252E25.9Very low30.5Very low183 Ų183143 Ų14386%0.85578%0.778SS**  trans-146.5148.7141.5-95.7-61.281.900109.7
253D25.8Very low30.7Very low85 Ų85137.5 Ų137.546%0.45577%0.773SS.*  trans-111.5158.3-178.8179-93.4000111Y251Y251-D253 HydrophobicContact CD1-CB 4.44Å; Y251-D253 HydrophobicContact CE1-CB 3.97Å
254S32.1Very low30.2Very low120 Ų120137.3 Ų137.384%0.83978%0.775SS**  trans-155.8109.9162.8-81.40000112
255L31.8Very low29.5Very low148 Ų148135.8 Ų135.878%0.77578%0.78SS**  trans-73.5131.6-175.5-76.1164.2000114.8
256N28.6Very low29.5Very low139 Ų139133.9 Ų133.974%0.74379%0.787SS**  42.3120.6126.1-171.422.3000120G258N256-G258 PolarHBondContact OD1-N 2.92Å
257S27.4Very low29.5Very low129 Ų129133.1 Ų133.190%0.90279%0.787SS**  trans-143.4114144.6-168.20000110
258G26.7Very low29.4Very low65 Ų65129.8 Ų129.867%0.6779%0.786SS**  trans-98.2171.3-170.700000115.4N256N256-G258 PolarHBondContact OD1-N 2.92Å
259R29.8Very low29.7Very low236 Ų236131 Ų13189%0.89179%0.793SS**  trans-152.5121.6166.7-165.4169.4-176165.40.8111.8
260N28.6Very low30Very low161 Ų161127 Ų12786%0.86178%0.783SS**  trans-75.8137.9173.2-69.6-20.6000111.2
261V32Very low30.2Very low133 Ų133130.9 Ų130.981%0.80679%0.788SS**  trans-145.1124.3155.3-175.80000108.3
262S34.1Very low30.4Very low100 Ų100125.5 Ų125.570%0.69979%0.789SS**  trans-91.4166171.7-47.70000111
263P41.9Very low31.6Very low129 Ų129122.9 Ų122.984%0.83879%0.788SS**  trans-127.1163.9134.136.5-29.4000112.6
264S31.1Very low31.8Very low119 Ų119123 Ų12383%0.83280%0.801SS**  trans-141.5146.1-180-57.40000111.3
265G28.2Very low31.8Very low83 Ų83123.9 Ų123.986%0.85680%0.796SS**  trans92.6136.514500000118.7
266G28.6Very low31.8Very low88 Ų88126.3 Ų126.391%0.90780%0.795SS**  trans106.6130.4169.600000114.3
267G30Very low31.9Very low67 Ų67127.1 Ų127.169%0.69179%0.794SS**  cis173.8150.7-7.600000113.4
268D29.7Very low32.1Very low152 Ų152129.5 Ų129.581%0.81379%0.791SS**  trans68.6105.7153-55.2-17.1000123.3
269T32.5Very low32.3Very low139 Ų139132.1 Ų132.185%0.85380%0.799SS**  51.7152.7128.758.60000122.7
270A32.8Very low32.3Very low73 Ų73124.9 Ų124.960%0.60380%0.798SS**  cis-166.8159.8-16.500000106.2
271F31.6Very low32.3Very low214 Ų214123.1 Ų123.194%0.93980%0.798SS**  -168.1166.560.1-85.9-94.1000109.8
272G29.6Very low32.1Very low72 Ų72123.2 Ų123.274%0.74280%0.799SS**  trans-107.8-147.9177.600000114.4
273P50.9Low32.2Very low129 Ų129125.8 Ų125.884%0.83880%0.804SS**  cis-142.1-166.52.744.6-25.7000116.3
274A30.6Very low31.5Very low87 Ų87124.8 Ų124.872%0.71980%0.801SS**  trans70.9142.9168.200000117.2
275D30.3Very low31.5Very low139 Ų139127.6 Ų127.674%0.74380%0.8SS**  cis-128143.4-2-88.5-54.9000108.2
276R32.9Very low31.4Very low199 Ų199131 Ų13175%0.75180%0.798SS**  63.8132.167.7175.7-176-178.698.113.7111.2
277E30.9Very low31.9Very low155 Ų155131.7 Ų131.772%0.72479%0.787SS**  cis-109.1-116.517-63.5-171.4148.500115.7
278E31.9Very low32Very low180 Ų180135.4 Ų135.484%0.84179%0.791SS**  trans-155137.4-152.6171.6-176.9125.200111.9
279S30Very low32.6Very low120 Ų120135 Ų13584%0.83978%0.784SS**  trans179.2113.4142-84.40000110.9
280G30.8Very low33.5Very low84 Ų84133.1 Ų133.187%0.86677%0.768SS**  trans-103.8136.3176.700000112.6
281S28.4Very low35Very low123 Ų123138.5 Ų138.586%0.8678%0.781SS**  trans-137.8135.3167.651.50000111.6
282T28.2Very low37Very low135 Ų135130.2 Ų130.283%0.82875%0.745SS**  trans-62.8140.8-162.936.40000115.6S284T282-S284 PolarHBondContact O-N 3.1Å
283L34.5Very low39.4Very low154 Ų154129.1 Ų129.181%0.80673%0.726SS**  trans-53115.9166.9-170137.2000111.7Q285L283-Q285 HydrophobicContact CD2-CB 4.1Å
284S28Very low41.1Very low109 Ų109127.8 Ų127.876%0.76272%0.717SS**  trans-119.5103.9167.151.90000109.2T282 L286T282-S284 PolarHBondContact O-N 3.1Å; S284-L286 PolarHBondContact O-N 2.82Å
285Q30.6Very low43.6Very low177 Ų177123.8 Ų123.883%0.82768%0.683SS**  trans-83.380.5-166.7-163.2171.322.200111.2L283L283-Q285 HydrophobicContact CD2-CB 4.1Å
286L26.3Very low46.2Very low154 Ų154117.4 Ų117.481%0.80665%0.649SS**  trans-62.7136.3173.5-166.271.5000110S284 N288S284-L286 PolarHBondContact O-N 2.82Å; L286-N288 PolarHBondContact O-N 3.39Å
287P38.5Very low48.7Very low103 Ų103109 Ų10967%0.66962%0.623SS**  trans-57.6129.3174.1-24.334.3000110.6Q289P287-Q289 PolarHBondContact O-N 3.41Å
288N32.4Very low51.4Low145 Ų145107.9 Ų107.978%0.77562%0.615SS**  trans-7571-177.5-168.616.3000111.5L286 L290L286-N288 PolarHBondContact O-N 3.39Å; N288-L290 VanDerWaalsContact C-N 3.26Å; N288-L290 PolarHBondContact O-N 3.23Å
289Q42.3Very low54Low145 Ų14599.5 Ų99.568%0.67858%0.576SS**  trans-65.790.3160.9-76.8-74-5.500107.8P287 Q291P287-Q289 PolarHBondContact O-N 3.41Å; Q289-Q291 PolarHBondContact O-N 3.4Å
290L53Low56.6Low99 Ų9996.8 Ų96.852%0.51855%0.551SS.*  trans-46.9109.1164.7-99.4140.8000108N49 N288 H292N49-L290 HydrophobicContact CB-CB 4.27Å; N49-L290 HydrophobicContact CB-CD1 4.38Å; N49-L290 PolarHBondContact OD1-O 3.11Å; N288-L290 VanDerWaalsContact C-N 3.26Å; N288-L290 PolarHBondContact O-N 3.23Å; L290-H292 PolarHBondContact O-N 3.23Å; L290-H292 PolarHBondContact O-ND1 2.96Å
291Q63.3Low58.9Low186 Ų18699.3 Ų99.387%0.86954%0.54SS*.  trans-70.1107.4-170.8-65.8-167.213.700110.4Q289 C293Q289-Q291 PolarHBondContact O-N 3.4Å; Q291-C293 PolarHBondContact O-N 2.86Å
292H74Confident60.4Low40 Ų4094.8 Ų94.819%0.18551%0.514CS..  trans-49136.4169.6-55.271.3000109.9Y44 N46 N49 L290 I296 M300Y44-H292 AromaticContact CE1-CD2 3.82Å; Y44-H292 AromaticContact CZ-CD2 3.9Å; Y44-H292 PolarHBondContact OH-CD2 3.11Å; N46-H292 PolarHBondContact OD1-NE2 3.21Å; N46-H292 VanDerWaalsContact OD1-NE2 3.11Å; N49-H292 PolarHBondContact OD1-CE1 2.94Å; N49-H292 PolarHBondContact OD1-NE2 3.27Å; L290-H292 PolarHBondContact O-N 3.23Å; L290-H292 PolarHBondContact O-ND1 2.96Å; H292-I296 HydrophobicContact CB-CB 4.2Å; H292-I296 HydrophobicContact CB-CG2 4.04Å; H292-M300 VanDerWaalsContact CD2-SD 3.51Å
293C79.8Confident61.5Low49 Ų4994.2 Ų94.233%0.33150%0.501SS..  trans-60.5153.117976.90000110.6Q291 A295 I296 A297Q291-C293 PolarHBondContact O-N 2.86Å; C293-A295 PolarHBondContact O-N 3.49Å; C293-I296 PolarHBondContact O-N 3.38Å; C293-A297 PolarHBondContact O-N 3.11Å
294P86.1Confident61.9Low101 Ų10198.6 Ų98.666%0.65651%0.507SS*.Hα-helixtrans-56.9-17.4-172.2-29.236.3000115.7K298P294-K298 WeakPolarHBondContact O-CB 3.46Å; P294-K298 WeakPolarHBondContact O-CD 3.35Å; P294-K298 VanDerWaalsContact O-CG 3.23Å; P294-K298 WeakPolarHBondContact O-CG 3.1Å; P294-K298 PolarHBondContact O-N 2.99Å
295A83.6Confident62.4Low2 Ų296.8 Ų96.82%0.01751%0.506CS..Hα-helixtrans-79.5-46.4172.100000113.6Q95 Q97 C293 A297 K298 L299Q95-A295 VanDerWaalsContact CD-CB 3.45Å; Q95-A295 HydrophobicContact CG-CB 4.17Å; Q95-A295 PolarHBondContact OE1-O 3.48Å; Q97-A295 HydrophobicContact CG-CB 3.95Å; C293-A295 PolarHBondContact O-N 3.49Å; A295-A297 VanDerWaalsContact C-N 3.28Å; A295-A297 PolarHBondContact O-N 2.89Å; A295-K298 PolarHBondContact O-N 2.86Å; A295-L299 WeakPolarHBondContact O-CG 3.46Å; A295-L299 PolarHBondContact O-N 2.94Å
296I85.4Confident62.5Low5 Ų592.9 Ų92.93%0.02650%0.504CS..Hα-helixtrans-63.2-41.5175.3-63.4168.6000109Y44 W51 L102 I110 H292 C293 K298 L299 M300Y44-I296 HydrophobicContact CD1-CG2 4.04Å; Y44-I296 HydrophobicContact CD2-CD1 4.08Å; Y44-I296 HydrophobicContact CE1-CD1 4.44Å; Y44-I296 HydrophobicContact CE1-CG2 3.68Å; Y44-I296 HydrophobicContact CE2-CD1 3.8Å; W51-I296 HydrophobicContact CZ2-CD1 3.83Å; W51-I296 HydrophobicContact CZ2-CG1 4.16Å; L102-I296 HydrophobicContact CD2-CG1 4.15Å; I110-I296 HydrophobicContact CD1-CG2 4.06Å; H292-I296 HydrophobicContact CB-CB 4.2Å; H292-I296 HydrophobicContact CB-CG2 4.04Å; C293-I296 PolarHBondContact O-N 3.38Å; I296-K298 PolarHBondContact O-N 2.86Å; I296-L299 PolarHBondContact O-N 2.84Å; I296-M300 HydrophobicContact CG2-CG 4.28Å; I296-M300 HydrophobicContact CG2-SD 3.83Å; I296-M300 WeakPolarHBondContact O-CB 3.3Å; I296-M300 VanDerWaalsContact O-CG 3.25Å; I296-M300 WeakPolarHBondContact O-CG 3.49Å; I296-M300 PolarHBondContact O-N 2.81Å
297A85Confident62.9Low23 Ų2390.4 Ų90.419%0.1951%0.505CS..Hα-helixtrans-55.8-48.7173.200000112.5C293 A295 L299 M300 Q301C293-A297 PolarHBondContact O-N 3.11Å; A295-A297 VanDerWaalsContact C-N 3.28Å; A295-A297 PolarHBondContact O-N 2.89Å; A297-L299 PolarHBondContact O-N 3.27Å; A297-M300 PolarHBondContact O-N 2.82Å; A297-Q301 WeakPolarHBondContact O-CB 3.26Å; A297-Q301 WeakPolarHBondContact O-CG 3.46Å; A297-Q301 PolarHBondContact O-N 2.86Å
298K87.3Confident62.5Low131 Ų13188.7 Ų88.757%0.5751%0.507SS*.Hα-helixtrans-59.7-45.4176.1-81.1172.6-178.8-177.30112.8P294 A295 I296 Q301 G302P294-K298 WeakPolarHBondContact O-CB 3.46Å; P294-K298 WeakPolarHBondContact O-CD 3.35Å; P294-K298 VanDerWaalsContact O-CG 3.23Å; P294-K298 WeakPolarHBondContact O-CG 3.1Å; P294-K298 PolarHBondContact O-N 2.99Å; A295-K298 PolarHBondContact O-N 2.86Å; I296-K298 PolarHBondContact O-N 2.86Å; K298-Q301 PolarHBondContact O-N 2.84Å; K298-G302 PolarHBondContact O-N 3.38Å
299L86.4Confident62.6Low4 Ų488.8 Ų88.82%0.02151%0.513CS..Hα-helixtrans-62.5-41.8176.3-69.7175000111.7D93 Q95 L102 R104 I110 A295 I296 A297 Q301 G302D93-L299 HydrophobicContact CB-CD2 3.66Å; D93-L299 WeakPolarHBondContact O-CD2 3.32Å; Q95-L299 HydrophobicContact CB-CD1 4.44Å; Q95-L299 HydrophobicContact CB-CD2 4.13Å; Q95-L299 HydrophobicContact CB-CG 4.29Å; L102-L299 HydrophobicContact CB-CD1 3.61Å; L102-L299 HydrophobicContact CD2-CD1 4.29Å; R104-L299 HydrophobicContact CB-CB 4.49Å; R104-L299 HydrophobicContact CB-CD2 4.45Å; R104-L299 WeakPolarHBondContact CD-O 3.28Å; R104-L299 PolarHBondContact NH1-O 2.94Å; I110-L299 HydrophobicContact CD1-CB 3.84Å; I110-L299 HydrophobicContact CG1-CB 4.3Å; I110-L299 HydrophobicContact CG2-CD1 4.1Å; A295-L299 WeakPolarHBondContact O-CG 3.46Å; A295-L299 PolarHBondContact O-N 2.94Å; I296-L299 PolarHBondContact O-N 2.84Å; A297-L299 PolarHBondContact O-N 3.27Å; L299-Q301 VanDerWaalsContact C-N 3.28Å; L299-Q301 PolarHBondContact O-N 3.21Å; L299-G302 PolarHBondContact O-N 3.4Å
300M84.6Confident62Low64 Ų6486.1 Ų86.132%0.31552%0.524SS..Hα-helixtrans-63.5-32.8175.2-70.2173.678.200112.6N46 R104 I110 H292 I296 A297N46-M300 WeakPolarHBondContact OD1-CE 3.2Å; R104-M300 VanDerWaalsContact NH1-C 3.27Å; R104-M300 PolarHBondContact NH1-O 3.18Å; I110-M300 HydrophobicContact CD1-CG 3.61Å; H292-M300 VanDerWaalsContact CD2-SD 3.51Å; I296-M300 HydrophobicContact CG2-CG 4.28Å; I296-M300 HydrophobicContact CG2-SD 3.83Å; I296-M300 WeakPolarHBondContact O-CB 3.3Å; I296-M300 VanDerWaalsContact O-CG 3.25Å; I296-M300 WeakPolarHBondContact O-CG 3.49Å; I296-M300 PolarHBondContact O-N 2.81Å; A297-M300 PolarHBondContact O-N 2.82Å
301Q78.5Confident60.8Low136 Ų13685.2 Ų85.264%0.63654%0.538SS*.Hα-helixtrans-79.7-11-176.3-72.3159.412.100114.9A297 K298 L299A297-Q301 WeakPolarHBondContact O-CB 3.26Å; A297-Q301 WeakPolarHBondContact O-CG 3.46Å; A297-Q301 PolarHBondContact O-N 2.86Å; K298-Q301 PolarHBondContact O-N 2.84Å; L299-Q301 VanDerWaalsContact C-N 3.28Å; L299-Q301 PolarHBondContact O-N 3.21Å
302G60.4Low59.6Low29 Ų2983.3 Ų83.330%0.29954%0.539SS..  trans42.791.2157.300000117.2K298 L299 R304K298-G302 PolarHBondContact O-N 3.38Å; L299-G302 PolarHBondContact O-N 3.4Å; G302-R304 PolarHBondContact O-N 2.75Å
303Q51.5Low57.4Low122 Ų12289.6 Ų89.657%0.5757%0.574SS**  trans0.869.3-179.4-158.8176.51.300118.1G305Q303-G305 PolarHBondContact O-N 2.98Å
304R43Very low54.8Low246 Ų24695.2 Ų95.293%0.92860%0.595SS**  trans-65.998.6167.1-95.9-163.6178.2-154.33.3111.3G302G302-R304 PolarHBondContact O-N 2.75Å
305G37.9Very low52.3Low71 Ų7196.1 Ų96.173%0.73260%0.599SS**  trans52.967.1149.700000117.7Q303 A307Q303-G305 PolarHBondContact O-N 2.98Å; G305-A307 PolarHBondContact O-N 2.87Å; G305-A307 VanDerWaalsContact O-N 3.11Å
306A34Very low49.6Very low96 Ų96103.8 Ų103.879%0.79364%0.639SS**  trans-83.175.6172.200000112.3
307A34.2Very low47Very low101 Ų101109.1 Ų109.184%0.83568%0.676SS**  trans-137.6103.1170.300000110.7G305G305-A307 PolarHBondContact O-N 2.87Å; G305-A307 VanDerWaalsContact O-N 3.11Å
308G30.3Very low44.1Very low68 Ų68117.3 Ų117.370%0.70171%0.711SS**SBendtrans130.4105.217600000114
309T33.4Very low41.3Very low147 Ų147116.3 Ų116.390%0.90272%0.72SS**  trans36.5119.4150.645.10000119.7
310G31.3Very low39.6Very low89 Ų89121.7 Ų121.792%0.91876%0.755SS**  trans-70154.3175.500000114.6
311G27.7Very low36.9Very low79 Ų79127.2 Ų127.281%0.81478%0.78SS**  trans-144.8120.9167.900000109.1
312V37Very low34.6Very low147 Ų147128.5 Ų128.589%0.89179%0.792SS**  trans-77.7124.9170.5171.90000107.9
313L27.8Very low33.2Very low172 Ų172137 Ų13790%0.90181%0.814SS**  trans-159.8150.9142.6-112.3166.1000110.8
314Q26.1Very low32.2Very low166 Ų166139.9 Ų139.978%0.77683%0.833SS**  trans-118.2155.3-173.3-175.2158.4-12.400110.3L316Q314-L316 PolarHBondContact O-N 2.87Å
315T33.8Very low31.7Very low120 Ų120133.3 Ų133.374%0.73682%0.823SS**  trans-24.8118.6176.853.90000117.9
316L25.6Very low31.2Very low164 Ų164133.6 Ų133.686%0.85983%0.826SS**  trans-145.2122.3141.7-79.6-178.9000105.7Q314Q314-L316 PolarHBondContact O-N 2.87Å
317S30.3Very low31Very low116 Ų116136 Ų13681%0.81183%0.826SS**  77.692.971.4-172.50000111.9
318E25.5Very low30.9Very low196 Ų196139 Ų13992%0.91683%0.828SS**  trans-117.8137.3174.2-169177.2125.500109.5
319S28.1Very low30.8Very low110 Ų110138.9 Ų138.977%0.76983%0.827SS**  trans-146.5148.5177.4-157.50000108.6
320P50.3Low31Very low116 Ų116138.4 Ų138.475%0.75382%0.824SS**  trans-102.2129.1-142.735.5-34000115.7
321E28.5Very low31.9Very low180 Ų180138.9 Ų138.984%0.84181%0.811SS**  trans-141.192.4170.9-67-165.6134.200113.5
322N30Very low32.1Very low164 Ų164142.8 Ų142.888%0.87781%0.812SS**  -172.3157.2115.4-112.4-72.7000115.1
323R32Very low32.7Very low207 Ų207140.5 Ų140.578%0.78180%0.8SS**  trans-98.9138168.8-75.7178.1164.7-131.73110.4
324L30.1Very low32.9Very low183 Ų183139 Ų13996%0.95879%0.791SS**  trans-134.4144.8142.2-76.1-180000108.9
325C31Very low33.2Very low107 Ų107139.8 Ų139.872%0.72379%0.792SS**  trans-106.4151.7-168.9-660000112.8
326G29.2Very low33.1Very low77 Ų77144.7 Ų144.779%0.79480%0.797SS**  72.585.8129.900000117.9
327D29.5Very low33.4Very low146 Ų146143.4 Ų143.478%0.78179%0.79SS**  trans-61150.5151.3174.136000111.3
328N32.2Very low33.4Very low164 Ų164144.4 Ų144.488%0.87779%0.786SS**  trans-177.8102.5155-105.5-75000110.3
329G27.1Very low33.7Very low67 Ų67141.9 Ų141.969%0.69177%0.774SS**  trans-174.3104.7173.300000115
330V37.4Very low33.7Very low137 Ų137142 Ų14283%0.8377%0.767SS**  trans-115.1167.3-171.7-126.90000111
331P49.9Very low32.7Very low99 Ų99144.8 Ų144.864%0.64377%0.769SS**  -137-174.4-94.547.8-33.3000117.1
332L33Very low33.9Very low160 Ų160141.9 Ų141.984%0.83877%0.766SS**  trans72.2171155.8-69.5175.5000118.5
333P48.8Very low34.8Very low100 Ų100139.1 Ų139.165%0.64976%0.757SS**  cis-146-170.9-40.440.5-21.7000117.8
334I31.9Very low35.6Very low139 Ų139135 Ų13571%0.71376%0.756SS**  trans103134.7147.1-73.3168.6000123.8
335K32.9Very low35.7Very low183 Ų183134.4 Ų134.480%0.79675%0.753SS**  trans73133.5162.5-80.5159.9-171.9175.20119.2
336R32.8Very low35.6Very low223 Ų223137.7 Ų137.784%0.84276%0.763SS**  80.6146.956.4-76.6-170.2177.7-176.21.7113.2
337L31.6Very low35.6Very low137 Ų137138 Ų13872%0.71776%0.758SS**  cis-163.7-175.524.8-137.4163.2000112.3
338L30.2Very low35.6Very low137 Ų137137.4 Ų137.472%0.71776%0.76SS**  trans86.6143.9167.4-54.5156.2000116.1
339Q30.9Very low35.5Very low143 Ų143133.7 Ų133.767%0.66875%0.747SS**  cis-153.81383.3-167.475.486.900113.6
340N28Very low35.6Very low114 Ų114139.4 Ų139.461%0.6175%0.753SS**  trans47.4108.9153.1-60.4-0.6000125.9
341H29Very low35.2Very low174 Ų174138.8 Ų138.881%0.80675%0.75SS**  45.4167.2106.3-57.9-52.7000124.3
342P54.6Low34.1Very low119 Ų119138.4 Ų138.477%0.77376%0.755SS**  cis-117-61.8-23.424.2-15.3000125
343P49.4Very low33.8Very low106 Ų106137.1 Ų137.169%0.68875%0.754SS**  -133.5-179.4-126.842-25.2000117.5
344P48.2Very low32.9Very low119 Ų119136.8 Ų136.877%0.77376%0.759SS**  cis-124.4179.9-23.132.1-13000113.8
345L32.8Very low34.2Very low171 Ų171135.8 Ų135.890%0.89576%0.762SS**  trans-135.7158.4164-73.1177.2000110.3
346L29.3Very low34.8Very low176 Ų176133 Ų13392%0.92176%0.762SS**  trans-155157.6158.1-115.4171.5000110.6
347A29.3Very low34.6Very low83 Ų83126.6 Ų126.669%0.68676%0.757SS**  trans-151.8157.2-174.900000111.2
348T29.2Very low34.3Very low135 Ų135127.7 Ų127.783%0.82876%0.763SS**  trans175.5105.6141.735.50000113.3
349S30.3Very low34.3Very low85 Ų85128.7 Ų128.759%0.59476%0.764SS**  29.3142127.663.50000125.3
350F29Very low34Very low187 Ų187129.7 Ų129.782%0.8277%0.766SS**  trans103.8113.9143.2-61.5-56000123.2
351T27.5Very low34Very low125 Ų125130.4 Ų130.477%0.76777%0.77SS**  trans57.6111.4136.557.10000125.4
352A28.5Very low33.8Very low90 Ų90130.1 Ų130.174%0.74477%0.769SS**  82.5141.2117.100000124.7
353T25.7Very low32.4Very low134 Ų134134.6 Ų134.682%0.82277%0.772SS**  trans107.1107.4144.8-40.70000121
354A30.9Very low32Very low92 Ų92135 Ų13576%0.7678%0.775SS**  trans68.4156145.100000123.6
355P57.8Low31Very low119 Ų119135.1 Ų135.177%0.77377%0.773SS**  trans-110.8170.1-17743.5-35.4000115
356P46.3Very low30.7Very low124 Ų124132.3 Ų132.381%0.80577%0.768SS**  -136.4156.797.2158000112.7
357A28.3Very low30.6Very low88 Ų88132.8 Ų132.873%0.72777%0.765SS**  cis91.5137.54800000115.4
358L26Very low31.2Very low161 Ų161134.8 Ų134.884%0.84377%0.771SS**  trans73145171.9-65.1176.5000117.4
359Q30Very low31.2Very low157 Ų157131.3 Ų131.373%0.73476%0.762SS**  cis-162.6162.8-6-155.1-178.649.800112.8
360K24.8Very low31.1Very low164 Ų164136 Ų13671%0.71378%0.775SS**  trans94.8116.6136.7-148.7170.8-173.6176.20121.9
361N26.7Very low31.1Very low130 Ų130133.7 Ų133.770%0.69577%0.77SS**  trans29.3159139.3-49.114.2000122.4
362Q25.9Very low31Very low168 Ų168133.8 Ų133.879%0.78577%0.766SS**  cis-158.3164.120-152.9141.3-38.500115.7
363Y25.4Very low31Very low212 Ų212134.9 Ų134.983%0.83177%0.768SS**  trans-71163.9170.4-78.1-85.6000114.4
364P40.2Very low31Very low116 Ų116134 Ų13475%0.75376%0.763SS**  -136.3151.265.217.39000117
365T26.3Very low30.8Very low121 Ų121134.8 Ų134.874%0.74276%0.762SS**  78.4134.478.6-340000112.8
366S27.3Very low29.3Very low111 Ų111140.7 Ų140.778%0.77677%0.769SS**  cis-158.8174.142.8-46.40000116.3
367Q27.1Very low28.3Very low186 Ų186140.6 Ų140.687%0.86977%0.771SS**  trans-106.2-167.4160.5-80.1-171.7-23.500110.2
368P42.5Very low28.3Very low125 Ų125144.1 Ų144.181%0.81277%0.773SS**  cis-124.8-155.8-4.845.2-27.3000112.4
369G27.9Very low28.3Very low62 Ų62142.6 Ų142.664%0.63977%0.765SS**  cis141.8151.5-1300000115.6
370Q29.6Very low28.1Very low185 Ų185143.3 Ų143.386%0.86477%0.768SS**  trans69.6159.8173.7-61.7178.7-100.400116.9
371L28.4Very low28.1Very low137 Ų137140 Ų14072%0.71777%0.771SS**  cis-155.6-166.3-15.1-109.1169.7000107.3
372D26.3Very low28.2Very low128 Ų128141.5 Ų141.568%0.68477%0.774SS**  cis-149.6-13511.8-157.3-96.8000113.4
373S27.4Very low28.4Very low112 Ų112142 Ų14278%0.78378%0.776SS**  trans-150.9-153-164.3-166.70000115.7
374V27Very low28.4Very low117 Ų117134.8 Ų134.871%0.70977%0.766SS**  trans109.6131158.8-178.50000121.3
375S25Very low27.9Very low108 Ų108138 Ų13876%0.75577%0.771SS**  trans64.1152.3158-72.60000123
376R25.9Very low28.1Very low243 Ų243139.9 Ų139.992%0.91777%0.771SS**  cis136.6121.7-23.3-175.5177.3-166.6177.95.4112.3
377S27.1Very low28.3Very low121 Ų121140.8 Ų140.885%0.84677%0.767SS**  trans-142.8-140.4-174.366.90000116.5
378H27.4Very low28.3Very low163 Ų163138.4 Ų138.476%0.75576%0.759SS**  -174147.1-126.4-165.5-104.9000109.5
379L26.8Very low27.8Very low129 Ų129140.1 Ų140.168%0.67576%0.761SS**  cis-160.6-157.7-8.7-156.969.4000108.8
380E24.3Very low27.7Very low172 Ų172140.2 Ų140.280%0.80476%0.762SS**  trans62.7117.7171.2-96.8146.49300117.5
381A25.4Very low27.7Very low93 Ų93139.8 Ų139.877%0.76977%0.765SS**  74.8143.458.600000112.9
382Q28.9Very low27.7Very low163 Ų163138.8 Ų138.876%0.76277%0.765SS**  cis-161.8157.427-174.1178.73.900112.1
383Q29.5Very low27.9Very low179 Ų179142.2 Ų142.284%0.83677%0.773SS**  trans62.6149.6167.6-78.9159.86.500119
384G26.1Very low28Very low60 Ų60144.2 Ų144.262%0.61977%0.774SS**  cis165.5153.3-12.700000114.4
385Q30.3Very low28Very low182 Ų182146.8 Ų146.885%0.8578%0.779SS**  trans78.5119.7170.7-54.7-175.68900116.1
386Q30.5Very low28.2Very low161 Ų161145.8 Ų145.875%0.75278%0.777SS**  70.2135.878.1-74.2-156.611400114
387L30.2Very low28.2Very low131 Ų131142.7 Ų142.769%0.68677%0.773SS**  cis-146.9144.16.9-92.2139.2000107.9
388L27.1Very low28.1Very low135 Ų135145.6 Ų145.671%0.70778%0.775SS**  69.9112.176.9-169.170.5000117
389L32.4Very low28.2Very low161 Ų161144.6 Ų144.684%0.84377%0.771SS**  trans61.1147.8166.7-61.8163.6000117.3
390G27.1Very low28.3Very low65 Ų65147.7 Ų147.767%0.6778%0.779SS**  cis129.1107.6-7.300000113.8
391L28.1Very low28.5Very low175 Ų175151.3 Ų151.392%0.91679%0.785SS**  trans-168179.3165.4-116.1171.5000113.6
392T29.5Very low28.4Very low117 Ų117150 Ų15072%0.71878%0.781SS**  trans-136.1149.3-162.260.90000115.6
393K30Very low29.7Very low200 Ų200148.2 Ų148.287%0.8778%0.783SS**  trans70.7126.2143-143.8-176.8-170.7-174.40120.3
394L29.2Very low29.6Very low153 Ų153145.8 Ų145.880%0.80178%0.781SS**  trans-161.7161.7160.3-115114.4000107.6
395Q27.6Very low29.5Very low172 Ų172150 Ų15080%0.80479%0.789SS**  cis-152.8175.8-7.4-169.9153.3-3.200109.8
396A29Very low29.4Very low86 Ų86146.4 Ų146.471%0.71178%0.784SS**  trans-124.6163.5171.900000113.1
397E25.1Very low29.4Very low179 Ų179143.1 Ų143.184%0.83678%0.784SS**  trans-22.3147.4171.2-169.8-179.2115.500120
398M25.7Very low29.3Very low181 Ų181141 Ų14189%0.89279%0.786SS**  trans-150.8168.4157.1-91.1-127.872.500112.8
399Q29.7Very low29.6Very low143 Ų143143.9 Ų143.967%0.66880%0.798SS**  trans-131.2149.5-144.9173.668.1-44.500114.1
400K29.5Very low29.4Very low193 Ų193138.9 Ų138.984%0.83979%0.786SS**  trans64.8149.6167.3-88.1-178.4174-177.20120.2
401R27.8Very low29.6Very low248 Ų248143 Ų14394%0.93680%0.798SS**  trans-139.3147.1167.9180-178.7-73.4-123.52.5109.8
402G23.9Very low29.6Very low66 Ų66138.9 Ų138.968%0.6879%0.789SS**  trans-141.1165.717000000110.8
403P55.3Low29.7Very low126 Ų126138.7 Ų138.782%0.81879%0.793SS**  trans-126.4152.7-144.540.2-27.7000117.8
404T27.3Very low29.8Very low128 Ų128134.6 Ų134.679%0.78578%0.784SS**  trans-172157.4153.332.80000106.8
405D25.4Very low29.9Very low147 Ų147132.9 Ų132.979%0.78678%0.784SS**  cis-153.2166.4-8-130.3-41.7000112.4
406S27.6Very low30Very low108 Ų108129.7 Ų129.776%0.75578%0.78SS**  trans37.9122.9154.6-158.40000122.8
407A29.3Very low29.9Very low91 Ų91130.9 Ų130.975%0.75278%0.782SS**  165.6141.7100.800000116.3
408A29.4Very low30Very low88 Ų88130.4 Ų130.473%0.72778%0.779SS**  trans66121.6148.500000123.7
409M32.1Very low30.3Very low194 Ų194127.7 Ų127.796%0.95677%0.773SS**  trans57.4132.8142.5-56.4-62168.600121
410G28.4Very low30.3Very low57 Ų57129.2 Ų129.259%0.58878%0.782SS**  cis161.9153.4-7.500000113.3
411T31Very low30.5Very low151 Ų151127.9 Ų127.993%0.92678%0.781SS**  trans62143.2173.4650000117.2
412A29.5Very low31.4Very low88 Ų88121.5 Ų121.573%0.72777%0.771SS**  cis-143.1158.3-2.500000108.4
413S31.5Very low31.5Very low114 Ų114124.6 Ų124.680%0.79778%0.781SS**  61.4126.858.4-101.50000113.5
414V31.7Very low30.3Very low113 Ų113122.4 Ų122.469%0.68578%0.781SS**  cis-154.8146.24.8176.70000111.3
415C30.5Very low30.4Very low118 Ų118128.2 Ų128.280%0.79779%0.789SS**  trans167.1119.5136.1-96.10000110.3
416C30.1Very low30.8Very low105 Ų105126.2 Ų126.271%0.70979%0.786SS**  75131.357.5-63.80000113.1
417C28.1Very low31.5Very low111 Ų111126.8 Ų126.875%0.7579%0.788SS**  cis-155.7137.8-4.9-99.10000108.1
418Q27.5Very low31.3Very low169 Ų169125.5 Ų125.579%0.7978%0.783SS**  80.5140.182.7-156.975.819.700114.7
419V31.6Very low31.4Very low124 Ų124128.8 Ų128.875%0.75279%0.788SS**  trans77.7133.6172-169.10000114.3
420M29.5Very low31.2Very low174 Ų174125.5 Ų125.586%0.85778%0.778SS**  cis-141166.96.4-146.4155.217700112.9
421M33.8Very low31.5Very low166 Ų166128.1 Ų128.182%0.81879%0.788SS**  trans-133.6154.9168.6-90.6-79.2-155.800108.2
422P45.7Very low31.6Very low113 Ų113128.1 Ų128.173%0.73478%0.777SS**  -150.2151.498.136.7-18.8000117.7
423C27.5Very low31.7Very low132 Ų132133.4 Ų133.489%0.89279%0.789SS**  trans61116.1149.1-640000120.9
424G29.5Very low32Very low80 Ų80135 Ų13583%0.82578%0.784SS**  trans-158-8.1173.600000119.2
425R29.8Very low33Very low250 Ų250133.6 Ų133.694%0.94379%0.793SS**  trans62.5120.3174.5-151.3173.5-167.41653117.2
426S33.1Very low33.8Very low105 Ų105134.2 Ų134.273%0.73479%0.793SS**  trans-95.3-175.3174.755.10000112.2
427P42.5Very low35.5Very low120 Ų120133.5 Ų133.578%0.77979%0.785SS**  cis-112.9-169.7-21.723.30.7000110.3
428G25.2Very low37.6Very low64 Ų64130.6 Ų130.666%0.6677%0.766SS**  cis82.9137.331.600000111.6
429L31.5Very low39.5Very low157 Ų157127.9 Ų127.982%0.82276%0.763SS**  cis-161.1152.69.4-90.4163.2000111.9
430T28.3Very low41.5Very low124 Ų124129 Ų12976%0.76176%0.76SS**  trans57140.3143.459.40000125.1
431S33.1Very low43.9Very low112 Ų112125.3 Ų125.378%0.78374%0.74SS**  trans105.1159.7132.6-146.90000121
432Q32.8Very low46Very low152 Ų152122.2 Ų122.271%0.7173%0.726SS**  trans58.5106.1165.6-91.4174.6-23.300120.3
433M33.6Very low47.6Very low199 Ų199122 Ų12298%0.9872%0.719SS**  trans-87.7103.7150.8-87.4-73.3169.100109.4
434Q36Very low50.2Low146 Ų146122.5 Ų122.568%0.68271%0.708SS**  trans-13291.5176.9-162.6166.26.600109.5V436Q434-V436 PolarHBondContact O-N 3.18Å
435G54Low52.6Low84 Ų84126 Ų12687%0.86670%0.7SS**  trans-76.486.6-169.700000114.2
436V46.3Very low54.8Low132 Ų132119 Ų11980%0.868%0.681SS**  trans-130.499.7163.7-175.70000108.1Q434Q434-V436 PolarHBondContact O-N 3.18Å
437V66.8Low57Low90 Ų90120.5 Ų120.555%0.54568%0.676SS.*  trans-67136.6178.7176.20000109.7E441V437-E441 HydrophobicContact CG1-CB 3.75Å
438S72.4Confident58.8Low50 Ų50119.9 Ų119.935%0.3567%0.666SS.*  trans-67.2142.5-179.1178.30000111.4H440 E441 L442S438-H440 PolarHBondContact O-N 3.46Å; S438-H440 PolarHBondContact OG-N 2.91Å; S438-E441 WeakPolarHBondContact CB-OE2 3.38Å; S438-E441 PolarHBondContact N-OE2 3.4Å; S438-E441 PolarHBondContact O-N 2.94Å; S438-L442 PolarHBondContact O-N 3.21Å; S438-L442 VanDerWaalsContact O-N 3.16Å
439P67.2Low61.3Low112 Ų112120.5 Ų120.573%0.72766%0.657SS**Hα-helixtrans-52.4-31.4172.9-27.635.4000113.4L443P439-L443 WeakPolarHBondContact O-CB 3.35Å; P439-L443 PolarHBondContact O-N 3.09Å
440H72.1Confident63.2Low147 Ų147119.4 Ų119.468%0.68165%0.647SS**Hα-helixtrans-69.7-39.5175.9-95-74.5000113.7S438 L442 L443 Q444S438-H440 PolarHBondContact O-N 3.46Å; S438-H440 PolarHBondContact OG-N 2.91Å; H440-L442 VanDerWaalsContact C-N 3.34Å; H440-L443 PolarHBondContact O-N 2.95Å; H440-Q444 VanDerWaalsContact O-CB 3.3Å; H440-Q444 WeakPolarHBondContact O-CB 3.44Å; H440-Q444 PolarHBondContact O-N 3.11Å
441E81.3Confident65Low97 Ų97119.8 Ų119.845%0.45364%0.641SS.*Hα-helixtrans-66.1-39.6176-68.8175.495.900111.2V437 S438 Q444 K445V437-E441 HydrophobicContact CG1-CB 3.75Å; S438-E441 WeakPolarHBondContact CB-OE2 3.38Å; S438-E441 PolarHBondContact N-OE2 3.4Å; S438-E441 PolarHBondContact O-N 2.94Å; E441-Q444 PolarHBondContact O-N 2.88Å; E441-K445 WeakPolarHBondContact O-CG 3.3Å; E441-K445 PolarHBondContact O-N 2.88Å
442L78.4Confident66.4Low100 Ų100121 Ų12152%0.52463%0.634SS.*Hα-helixtrans-67.6-41.2-179.9-151.9159.8000110.6S438 H440 K445 L446S438-L442 PolarHBondContact O-N 3.21Å; S438-L442 VanDerWaalsContact O-N 3.16Å; H440-L442 VanDerWaalsContact C-N 3.34Å; L442-K445 PolarHBondContact O-N 2.73Å; L442-L446 HydrophobicContact CD2-CD1 3.93Å; L442-L446 PolarHBondContact O-N 2.65Å
443L77.8Confident67.4Low110 Ų110120.8 Ų120.858%0.57663%0.633SS**Hα-helixtrans-64.3-42.1172.4-16074.2000112.1P439 H440 K445 L446 Q447P439-L443 WeakPolarHBondContact O-CB 3.35Å; P439-L443 PolarHBondContact O-N 3.09Å; H440-L443 PolarHBondContact O-N 2.95Å; L443-K445 PolarHBondContact O-N 3.16Å; L443-L446 PolarHBondContact O-N 3.45Å; L443-Q447 PolarHBondContact O-N 2.77Å
444Q82.6Confident67.7Low142 Ų142115.9 Ų115.966%0.66462%0.618SS**Hα-helixtrans-64.9-38177.7-170174.419.300112.2H440 E441 Q447 L448H440-Q444 VanDerWaalsContact O-CB 3.3Å; H440-Q444 WeakPolarHBondContact O-CB 3.44Å; H440-Q444 PolarHBondContact O-N 3.11Å; E441-Q444 PolarHBondContact O-N 2.88Å; Q444-Q447 PolarHBondContact O-N 2.64Å; Q444-L448 PolarHBondContact O-N 3.43Å; Q444-L448 VanDerWaalsContact O-N 3.11Å
445K79.9Confident67.7Low154 Ų154113 Ų11367%0.6761%0.614SS**Hα-helixtrans-71.4-36.3174.2-73.5-167.6175.9-168.70112.9E441 L442 L443 Q447 L448 V449E441-K445 WeakPolarHBondContact O-CG 3.3Å; E441-K445 PolarHBondContact O-N 2.88Å; L442-K445 PolarHBondContact O-N 2.73Å; L443-K445 PolarHBondContact O-N 3.16Å; K445-Q447 VanDerWaalsContact C-N 3.35Å; K445-L448 PolarHBondContact O-N 2.81Å; K445-V449 WeakPolarHBondContact O-CG2 3.13Å; K445-V449 PolarHBondContact O-N 3.09Å
446L76.8Confident66.6Low103 Ų103114.6 Ų114.654%0.53961%0.607SS.*Hα-helixtrans-60.4-44.5170.2-92.2165.3000111.6L442 L443 L448 V449 Q450L442-L446 HydrophobicContact CD2-CD1 3.93Å; L442-L446 PolarHBondContact O-N 2.65Å; L443-L446 PolarHBondContact O-N 3.45Å; L446-L448 VanDerWaalsContact C-N 3.29Å; L446-L448 PolarHBondContact O-N 3.49Å; L446-V449 PolarHBondContact O-N 3.45Å; L446-Q450 VanDerWaalsContact O-CB 3.31Å; L446-Q450 WeakPolarHBondContact O-CB 3.3Å; L446-Q450 PolarHBondContact O-N 3.15Å
447Q79.4Confident65.8Low135 Ų135113.9 Ų113.963%0.63161%0.608SS**Hα-helixtrans-58.9-41.2176.6-159.573.318.500111.9L443 Q444 K445 Q451L443-Q447 PolarHBondContact O-N 2.77Å; Q444-Q447 PolarHBondContact O-N 2.64Å; K445-Q447 VanDerWaalsContact C-N 3.35Å; Q447-Q451 PolarHBondContact O-N 3.34Å
448L78.9Confident64Low108 Ų108118 Ų11857%0.56562%0.621SS**Hα-helixtrans-67.7-46.3178.7-147.396.7000112.1Q444 K445 L446 Q450 Q451 E452Q444-L448 PolarHBondContact O-N 3.43Å; Q444-L448 VanDerWaalsContact O-N 3.11Å; K445-L448 PolarHBondContact O-N 2.81Å; L446-L448 VanDerWaalsContact C-N 3.29Å; L446-L448 PolarHBondContact O-N 3.49Å; L448-Q450 VanDerWaalsContact C-N 3.3Å; L448-Q450 PolarHBondContact O-N 3.09Å; L448-Q451 WeakPolarHBondContact O-CB 3.39Å; L448-Q451 PolarHBondContact O-N 3.03Å; L448-Q451 VanDerWaalsContact O-N 3.12Å; L448-E452 PolarHBondContact O-N 2.77Å
449V78.2Confident61.8Low77 Ų77122.8 Ų122.847%0.46764%0.638SS.*Hα-helixtrans-63.7-36.3177.2170.40000111.5K445 L446 Q451 E452 Q453K445-V449 WeakPolarHBondContact O-CG2 3.13Å; K445-V449 PolarHBondContact O-N 3.09Å; L446-V449 PolarHBondContact O-N 3.45Å; V449-Q451 VanDerWaalsContact C-N 3.26Å; V449-Q451 PolarHBondContact O-N 3.26Å; V449-E452 PolarHBondContact O-N 2.96Å; V449-Q453 PolarHBondContact O-N 3.39Å
450Q70.9Confident60.2Low133 Ų133125.6 Ų125.662%0.62164%0.641SS**Hα-helixtrans-65.5-31.5175.5-167.566.183.700112.2L446 L448L446-Q450 VanDerWaalsContact O-CB 3.31Å; L446-Q450 WeakPolarHBondContact O-CB 3.3Å; L446-Q450 PolarHBondContact O-N 3.15Å; L448-Q450 VanDerWaalsContact C-N 3.3Å; L448-Q450 PolarHBondContact O-N 3.09Å
451Q66.8Low59.2Low132 Ų132123.7 Ų123.762%0.61764%0.642SS**Hα-helixtrans-77.7-41.3176.1-170.4168.88.700112.1Q447 L448 V449 Q453 S454Q447-Q451 PolarHBondContact O-N 3.34Å; L448-Q451 WeakPolarHBondContact O-CB 3.39Å; L448-Q451 PolarHBondContact O-N 3.03Å; L448-Q451 VanDerWaalsContact O-N 3.12Å; V449-Q451 VanDerWaalsContact C-N 3.26Å; V449-Q451 PolarHBondContact O-N 3.26Å; Q451-Q453 VanDerWaalsContact C-N 3.28Å; Q451-Q453 PolarHBondContact O-N 2.98Å; Q451-S454 WeakPolarHBondContact O-CB 3.24Å; Q451-S454 PolarHBondContact O-N 3.06Å; Q451-S454 PolarHBondContact O-OG 3.42Å
452E62.7Low56.8Low139 Ų139129.6 Ų129.665%0.6566%0.66SS**Hα-helixtrans-63.1-31.9-179.6-160.6174.5109.300112.9L448 V449 S454 S455L448-E452 PolarHBondContact O-N 2.77Å; V449-E452 PolarHBondContact O-N 2.96Å; E452-S454 PolarHBondContact O-N 3.38Å; E452-S455 PolarHBondContact O-OG 3.37Å
453Q53Low54.4Low146 Ų146130.3 Ų130.368%0.68266%0.664SS**THydrogen-bonded Turntrans-70.6-6.4173.7-69.5-173.83300114.5V449 Q451V449-Q453 PolarHBondContact O-N 3.39Å; Q451-Q453 VanDerWaalsContact C-N 3.28Å; Q451-Q453 PolarHBondContact O-N 2.98Å
454S39.6Very low52.4Low96 Ų96132.9 Ų132.967%0.67167%0.672SS**THydrogen-bonded Turntrans-92.3-5.9179.872.40000114.7Q451 E452Q451-S454 WeakPolarHBondContact O-CB 3.24Å; Q451-S454 PolarHBondContact O-N 3.06Å; Q451-S454 PolarHBondContact O-OG 3.42Å; E452-S454 PolarHBondContact O-N 3.38Å
455S37.4Very low50.7Low86 Ų86131.8 Ų131.860%0.60168%0.677SS**  trans-128.644.2-161.658.10000115.5E452E452-S455 PolarHBondContact O-OG 3.37Å
456T29.3Very low48.5Very low117 Ų117132.9 Ų132.972%0.71869%0.685SS**  trans-132.790.4176.850.70000113.8
457S29.7Very low47Very low118 Ų118134.2 Ų134.283%0.82570%0.699SS**  trans-164.278.3166.6-790000114.2
458H29.3Very low44.7Very low176 Ų176130.9 Ų130.982%0.81570%0.701SS**  trans-179.4140.5134-113-97.9000113.8
459E27.3Very low42.5Very low150 Ų150134.5 Ų134.570%0.70172%0.72SS**  trans30.8120.1155.9-71.3-179.493.100126.3
460H32.7Very low40.3Very low171 Ų171135.3 Ų135.379%0.79274%0.735SS**  38.1161.3108.2-71.7-58.1000123.5
461P51.5Low38.7Very low107 Ų107135 Ų13570%0.69574%0.744SS**  cis-145.8155.5-39.339.2-22.5000116.4
462R30.6Very low37.3Very low222 Ų222139.9 Ų139.984%0.83876%0.757SS**  trans176.1145.5131.9-106.7-167.7153.8-173.6-5.2119.1
463L28.8Very low35.9Very low114 Ų114143.4 Ų143.460%0.59777%0.771SS**  trans62.594.1148-57172.2000123.5
464H34.8Very low34.9Very low164 Ų164144.4 Ų144.476%0.75978%0.78SS**  trans49.4160.9131.5-52.8-59.5000124.1
465P46.5Very low34.5Very low119 Ų119151.4 Ų151.477%0.77379%0.792SS**  cis-121.4-179.5-9.728.3-6.5000115
466H35.1Very low34.6Very low178 Ų178152.4 Ų152.482%0.82480%0.796SS**  trans-100.7178.8178.2-49.3-76.4000112.5
467P43.6Very low34.5Very low130 Ų130152.5 Ų152.584%0.84480%0.802SS**  cis-116.6171.848.540.2-32.5000114.4
468G31.8Very low34.7Very low65 Ų65151.6 Ų151.667%0.6780%0.801SS**  cis130.2108.1-8.400000114.3
469L33.9Very low34.8Very low185 Ų185148.5 Ų148.597%0.96980%0.799SS**  trans174103.9153-101.7173.7000112.8
470A32Very low34.9Very low93 Ų93150.7 Ų150.777%0.76981%0.809SS**  trans-178.2133.1151.300000109.6
471P37.4Very low34.7Very low126 Ų126148 Ų14882%0.81881%0.81SS**PPolyproline II helixtrans-83.7146.5-174.832.7-34.7000113.4
472R37.2Very low33.7Very low236 Ų236152.6 Ų152.689%0.89182%0.822SS**PPolyproline II helixtrans-100.4141.6161.9-73-167180-164.72.3110.1
473F33.1Very low33.6Very low212 Ų212145.8 Ų145.893%0.9382%0.822SS**PPolyproline II helixtrans-69.5136.5167.3-77.3-101.3000110.2
474L31.6Very low33.8Very low168 Ų168146.4 Ų146.488%0.8884%0.835SS**PPolyproline II helixtrans-103.9134174.8-72169.7000109.8
475W30.2Very low33.5Very low243 Ų243144.2 Ų144.292%0.9284%0.839SS**PPolyproline II helixtrans-89.8134.2170.6-175.3-88.7000109.6S477W475-S477 PolarHBondContact O-N 3.42Å
476P39.4Very low32.7Very low107 Ų107147 Ų14770%0.69585%0.846SS**PPolyproline II helixtrans-67.1132.6-179.4-20.533.1000112.9
477S28.8Very low32.4Very low119 Ų119142.2 Ų142.283%0.83285%0.845SS**PPolyproline II helixtrans-94137.9162.3-170.40000109.3W475W475-S477 PolarHBondContact O-N 3.42Å
478A33.9Very low31.7Very low99 Ų99143.3 Ų143.382%0.81885%0.849SS**PPolyproline II helixtrans-78.9136.1-178.700000111.5
479S31.4Very low31.7Very low110 Ų110143.6 Ų143.677%0.76985%0.852SS**PPolyproline II helixtrans-76137.1-175.350.30000113.3
480Q29.4Very low32.3Very low196 Ų196140.6 Ų140.692%0.91684%0.844SS**PPolyproline II helixtrans-68.3144.9153.4-71.3-177.9-11.100109.7
481S29Very low32.2Very low116 Ų116142.5 Ų142.581%0.81185%0.846SS**  trans-139.5144.6160.458.50000109.2
482Q29.9Very low31.8Very low202 Ų202144.9 Ų144.994%0.94485%0.846SS**  trans-90.4144.7179.7-67.7177.4-53.200110.6
483G28.9Very low31.5Very low80 Ų80139.4 Ų139.483%0.82584%0.839SS**  trans-158.7112.7169.500000110.5
484S32Very low31.3Very low126 Ų126135 Ų13588%0.88183%0.83SS**  trans-116.9131.1-178.8-61.20000110.9
485S28.5Very low31.3Very low119 Ų119133.6 Ų133.683%0.83283%0.828SS**  trans-154.4154.4159.958.10000111.5
486L29.7Very low31.4Very low176 Ų176126.1 Ų126.192%0.92182%0.818SS**  trans-72.2154.9-173.4-85.553.5000113
487G28.3Very low31.6Very low78 Ų78126.6 Ų126.680%0.80482%0.821SS**  trans-174.257.8178.400000117
488T29.7Very low31.5Very low153 Ų153127.2 Ų127.294%0.93982%0.815SS**  trans-28.4133.4173.5-42.40000118.5
489G31.2Very low31.5Very low71 Ų71130.8 Ų130.873%0.73282%0.815SS**  trans158.3124.6159.800000116
490P46.6Very low31.4Very low123 Ų123133.6 Ų133.680%0.79981%0.813SS**  trans-107.3164.8-178.239.6-34.2000114.5
491T30.2Very low31.4Very low133 Ų133129.3 Ų129.382%0.81681%0.805SS**  -171.2157.3128.1-75.50000110.5
492Q29.5Very low31.4Very low175 Ų175130 Ų13082%0.81880%0.795SS**  trans-71.5164.5-175-59.7153.854.900112.1
493T30Very low31.4Very low121 Ų121128.6 Ų128.674%0.74279%0.794SS**  -177.7137.184.1-65.10000112
494T28.8Very low31.5Very low119 Ų119132.6 Ų132.673%0.7379%0.791SS**  trans17.5134.5143.2-400000118.9
495V32.1Very low31.6Very low140 Ų140136 Ų13685%0.84879%0.79SS**  cis-152.4177.745.7-141.40000112.7
496A31.6Very low31.7Very low86 Ų86138.9 Ų138.971%0.71179%0.79SS**  trans-146-179.7165.300000109.2
497P44.1Very low31.8Very low117 Ų117138.4 Ų138.476%0.7679%0.787SS**  cis-129.2-135.6-10.342.4-23.1000111.7
498D27.8Very low32.1Very low131 Ų131141.3 Ų141.370%0.70178%0.783SS**  trans75.7135.3165.8-103.9-142.9000117.7
499Q32.1Very low32.3Very low174 Ų174138.9 Ų138.981%0.81377%0.772SS**  cis-134.6165.34.7-80.1-170.4-1.800114.9
500K29.5Very low32.5Very low169 Ų169141.6 Ų141.674%0.73578%0.777SS**  trans-101.9130.3176.3172-149.3167.3-163.60111.5E502K500-E502 IonicContact NZ-OE2 2.87Å
501S30.5Very low31.8Very low106 Ų106143 Ų14374%0.74177%0.773SS**  trans-174.7114.1138.9-79.40000108.4
502E28.1Very low31.9Very low130 Ų130146.4 Ų146.461%0.60777%0.771SS**  79.298.972.8-166.916715300112.3K500K500-E502 IonicContact NZ-OE2 2.87Å
503L29.8Very low32.2Very low174 Ų174145.7 Ų145.791%0.91177%0.771SS**  trans-122.8113.7172.1-73.6176.9000109.2
504Q31.1Very low32.6Very low163 Ų163145.4 Ų145.476%0.76277%0.771SS**  trans-83158168.9-64.4-175.38.100110.7
505F34.1Very low32.8Very low198 Ų198144.7 Ų144.787%0.86878%0.777SS**  trans-67.5142179.1-59.8-98.2000112.4
506Q31Very low33Very low180 Ų180144.1 Ų144.184%0.84177%0.774SS**  trans-155.3149140.9-122.8162.6100.900113.1I508Q506-I508 HydrophobicContact CB-CD1 4.43Å
507I32.2Very low33.5Very low165 Ų165146.5 Ų146.585%0.84678%0.78SS**  trans-107.9116.6-172.8-61.3164.1000108.5
508I35Very low33.1Very low140 Ų140145.3 Ų145.372%0.71878%0.78SS**  trans-134.5141.7166.6-70.493.6000109.7Q506Q506-I508 HydrophobicContact CB-CD1 4.43Å
509S32.2Very low33.7Very low102 Ų102145 Ų14571%0.71379%0.785SS**  trans-69.1141.7-178.6-177.20000113.2Q511S509-Q511 PolarHBondContact O-N 3.15Å
510P36.3Very low34.5Very low128 Ų128143 Ų14383%0.83178%0.784SS**  trans-75.1119.4177.230.5-33.8000111.5
511Q32.9Very low35.1Very low153 Ų153143.1 Ų143.172%0.71579%0.792SS**  trans-123.5131.3168.4-146.7-163.7107.400111.1S509S509-Q511 PolarHBondContact O-N 3.15Å
512R32.1Very low35.6Very low204 Ų204146.3 Ų146.377%0.7780%0.8SS**  trans65.1108.5155.3-162.2-170.4-49.5172.36.6118.1
513I35Very low36.2Very low160 Ų160148.3 Ų148.382%0.82181%0.814SS**  trans-99.7139.8153.6-59.6175.4000107.9
514P37.9Very low36.8Very low114 Ų114145 Ų14574%0.7481%0.805SS**  trans-78.9138.2174.1-4.322000111.5
515A34.1Very low37.2Very low105 Ų105143.4 Ų143.487%0.86881%0.809SS**  trans-111.9130.117200000110.7
516T36.6Very low37.9Very low128 Ų128139.2 Ų139.279%0.78580%0.804SS**  trans-110.7116.1-172.4-64.40000111.4
517V40.4Very low38.2Very low136 Ų136136.5 Ų136.582%0.82480%0.8SS**  trans58.7104.3157-176.90000118.6
518A35.6Very low38.4Very low92 Ų92137.5 Ų137.576%0.7680%0.798SS**  -155.1140.7128.500000109
519P41.6Very low38.7Very low124 Ų124137.6 Ų137.681%0.80581%0.806SS**  trans-83.1150.9-171.832.1-35.3000114.3
520T48.4Very low38.8Very low131 Ų131141.3 Ų141.380%0.80481%0.812SS**  trans-77.1128.8179.648.70000113.6
521L43.3Very low38.5Very low172 Ų172141 Ų14190%0.90181%0.808SS**  trans-140.879158.1-75-179.6000110.8
522L40.4Very low38.5Very low173 Ų173143.3 Ų143.391%0.90682%0.815SS**  trans-93122.6160.8-76.1174.3000108.8
523L41.2Very low38.4Very low172 Ų172139.4 Ų139.490%0.90182%0.82SS**  trans-83.2113.5-179-76.6159.7000110.8
524S41Very low38.3Very low104 Ų104137.1 Ų137.173%0.72782%0.817SS**  trans-75.6132.4168.6-630000110.8S526S524-S526 PolarHBondContact O-N 3.46Å
525P39.7Very low37.9Very low131 Ų131137 Ų13785%0.85182%0.819SS**  trans-75.194.4177.629.8-33.6000110.8
526S48.6Very low37.6Very low109 Ų109143 Ų14376%0.76282%0.819SS**  trans-147.686.1174.7-72.70000111.7S524S524-S526 PolarHBondContact O-N 3.46Å
527V37.3Very low37.2Very low124 Ų124144.4 Ų144.475%0.75282%0.821SS**  trans-143.6131.1169.9-136.20000105.1
528F37.4Very low37.5Very low185 Ų185143 Ų14381%0.81182%0.816SS**  cis-132.314119.4-86.8-109.4000112.7
529T40.8Very low37.3Very low142 Ų142145.3 Ų145.387%0.87182%0.82SS**  trans-147.978161.546.10000113.2
530Q33.4Very low36.6Very low181 Ų181144.2 Ų144.285%0.84682%0.821SS**  trans-167.3156.6163.4-112-178.163.800108.4
531T30.4Very low35.7Very low121 Ų121142.4 Ų142.474%0.74282%0.819SS**  cis-127.8168.410.249.60000113.6
532K34.1Very low36Very low201 Ų201139.6 Ų139.687%0.87481%0.811SS**  trans-98.2134.6174.8167.3-173.2176.6-177.90110.4
533S28.6Very low35.2Very low123 Ų123139 Ų13986%0.8680%0.804SS**  trans-137159.4161.960.60000110.2
534S33Very low34.5Very low111 Ų111136.1 Ų136.178%0.77680%0.798SS**  trans-130.8129.7-160.8176.70000113.5
535S31Very low33.8Very low112 Ų112138.8 Ų138.878%0.78380%0.804SS**  trans-172.2116.4142.745.80000115.4
536R26.8Very low33.2Very low230 Ų230138.6 Ų138.687%0.86881%0.806SS**  52.4104126.4-158.7179.1-152.8179.85.9121
537L28.9Very low32.5Very low158 Ų158140.1 Ų140.183%0.82781%0.81SS**  39.6158.6123.1-65.8177.6000122.4
538P46.3Very low32.8Very low108 Ų108139.4 Ų139.470%0.70181%0.808SS**  cis-139.2177-10.836.4-15.2000117.2
539V30Very low32.3Very low140 Ų140135.6 Ų135.685%0.84881%0.805SS**  trans9.7125.7144-176.30000120.7
540A28.2Very low31.7Very low100 Ų100134.8 Ų134.883%0.82680%0.8SS**  trans-176.2171.2134.700000112.7
541A29Very low31.5Very low93 Ų93133.8 Ų133.877%0.76980%0.8SS**  trans-139.4-176.5167.500000107.9
542P48.9Very low31.2Very low113 Ų113133.4 Ų133.473%0.73480%0.801SS**  cis-126.8-136.4-10.539.2-19.6000111.8
543E23.8Very low30.7Very low161 Ų161133.3 Ų133.375%0.75280%0.8SS**  trans105.3121.4157.2-64.8-65.387.200122.8
544S27.3Very low30.8Very low112 Ų112133.5 Ų133.578%0.78380%0.798SS**  trans76.6158.2140.679.10000122.2
545N26.1Very low30.5Very low160 Ų160133.4 Ų133.486%0.85680%0.798SS**  trans-114.4141.2-178.1-64.7-75.2000111.8
546S27.9Very low30.4Very low127 Ų127136.2 Ų136.289%0.88880%0.803SS**  -178.6155.1126.634.70000114.2
547V32.2Very low30.4Very low140 Ų140132.5 Ų132.585%0.84880%0.796SS**  trans-87.4175.3-178.2-92.80000112.2
548P44.5Very low31Very low109 Ų109133.7 Ų133.771%0.70880%0.797SS**  cis-142179.31342-22.9000118.9
549S26Very low30.4Very low105 Ų105135.7 Ų135.773%0.73480%0.797SS**  trans97.9145137.2-790000124.5
550T28.2Very low31.2Very low126 Ų126133.7 Ų133.777%0.77380%0.795SS**  trans77.5113.5156.536.40000122.9
551L29.2Very low32.7Very low160 Ų160131.7 Ų131.784%0.83878%0.784SS**  trans64.2132.5131.7-118.261.8000119.3
552C24.6Very low34.5Very low113 Ų113132 Ų13276%0.76479%0.787SS**  cis-163.6153.2-15-126.60000109.5
553K24.2Very low36Very low198 Ų198131.6 Ų131.686%0.86178%0.778SS**  trans-157.6125154.5-138171.2-173.5176.10110.8
554P31.1Very low39.2Very low127 Ų127126.2 Ų126.283%0.82576%0.758SS**  trans-84.1132.9179.832.1-32.6000111.4
555S25.4Very low42Very low109 Ų109131.2 Ų131.276%0.76276%0.76SS**  trans-119.4108.2162.353.40000108.1Q557S555-Q557 PolarHBondContact O-N 3.26Å
556L29.9Very low45Very low171 Ų171127.1 Ų127.190%0.89574%0.744SS**  trans-71.2100.4171.2-81.9170000108.8
557Q27.6Very low47.9Very low153 Ų153126.2 Ų126.272%0.71573%0.725SS**  trans-105.991.2163.1-179.8174.7-5.200106.7S555 E559S555-Q557 PolarHBondContact O-N 3.26Å; Q557-E559 HydrophobicContact CG-CG 3.99Å; Q557-E559 PolarHBondContact O-N 3.44Å
558E40.3Very low50.7Low183 Ų183123.6 Ų123.686%0.85571%0.706SS**  trans-79.759.4178.4-160.2171.4162.900110.8A560E558-A560 PolarHBondContact O-N 3.27Å
559E34.5Very low52.9Low149 Ų149123.9 Ų123.970%0.69670%0.698SS**  trans-65.9111.9158.6-82.7-70.1140.800107.4Q557 G561Q557-E559 HydrophobicContact CG-CG 3.99Å; Q557-E559 PolarHBondContact O-N 3.44Å; E559-G561 PolarHBondContact O-N 2.99Å
560A46.7Very low56Low98 Ų98124 Ų12481%0.8169%0.687SS**  trans-72.266.1176.400000110.9E558 A562E558-A560 PolarHBondContact O-N 3.27Å; A560-A562 PolarHBondContact O-N 3.46Å
561G59.3Low59Low58 Ų58119.8 Ų119.860%0.59867%0.665SS**PPolyproline II helixtrans-55.1129.5177.900000110.7E559 L563E559-G561 PolarHBondContact O-N 2.99Å; G561-L563 PolarHBondContact O-N 2.93Å; G561-L563 VanDerWaalsContact O-N 3.12Å
562A66.6Low62Low101 Ų101115.7 Ų115.784%0.83564%0.643SS**PPolyproline II helixtrans-54.8120.4-17600000110.8A560 S564A560-A562 PolarHBondContact O-N 3.46Å; A562-S564 PolarHBondContact O-N 2.86Å
563L80.8Confident65.3Low104 Ų104113.9 Ų113.955%0.54563%0.626SS.*PPolyproline II helixtrans-52.4131.3-178.8-64.5176.1000110.2G561 Q567 L568G561-L563 PolarHBondContact O-N 2.93Å; G561-L563 VanDerWaalsContact O-N 3.12Å; L563-Q567 HydrophobicContact CB-CB 4.09Å; L563-Q567 HydrophobicContact CD2-CB 4.24Å; L563-L568 HydrophobicContact CB-CB 4.32Å
564S89.9Confident68.5Low48 Ų48109.9 Ų109.934%0.33661%0.61SS.*PPolyproline II helixtrans-60.4159.1175.2830000110.6A562 S566 Q567 L568A562-S564 PolarHBondContact O-N 2.86Å; S564-S566 PolarHBondContact O-N 3.35Å; S564-S566 VanDerWaalsContact O-N 3.11Å; S564-S566 PolarHBondContact OG-OG 2.83Å; S564-Q567 PolarHBondContact O-N 2.87Å; S564-Q567 WeakPolarHBondContact OG-CG 3.48Å; S564-Q567 PolarHBondContact OG-N 3.2Å; S564-Q567 PolarHBondContact OG-OE1 3.31Å; S564-L568 PolarHBondContact O-N 2.97Å
565R87.1Confident71.4Confident217 Ų217107 Ų10782%0.81959%0.587SS**Hα-helixtrans-53-38.1-178.8-177.2-177.7171.8100.93.7112.8Q569R565-Q569 WeakPolarHBondContact O-CB 3.35Å; R565-Q569 PolarHBondContact O-N 3.42Å; R565-Q569 VanDerWaalsContact O-N 3.1Å
566S88.7Confident74.7Confident74 Ų74105.4 Ų105.452%0.51757%0.569SS.*Hα-helixtrans-73.4-43.3175.647.70000112.1S564 L568 Q569 E570S564-S566 PolarHBondContact O-N 3.35Å; S564-S566 VanDerWaalsContact O-N 3.11Å; S564-S566 PolarHBondContact OG-OG 2.83Å; S566-L568 VanDerWaalsContact C-N 3.31Å; S566-L568 PolarHBondContact O-N 2.81Å; S566-Q569 WeakPolarHBondContact O-CB 3.37Å; S566-Q569 PolarHBondContact O-N 2.96Å; S566-Q569 VanDerWaalsContact O-N 3.13Å; S566-E570 WeakPolarHBondContact O-CG 3.4Å; S566-E570 PolarHBondContact O-N 3.42Å
567Q90.2Very high77.4Confident107 Ų107104.1 Ų104.150%0.556%0.559SS.*Hα-helixtrans-60-40.1175.9-71.9167.1-34.800112.2L563 S564 A571L563-Q567 HydrophobicContact CB-CB 4.09Å; L563-Q567 HydrophobicContact CD2-CB 4.24Å; S564-Q567 PolarHBondContact O-N 2.87Å; S564-Q567 WeakPolarHBondContact OG-CG 3.48Å; S564-Q567 PolarHBondContact OG-N 3.2Å; S564-Q567 PolarHBondContact OG-OE1 3.31Å; Q567-A571 WeakPolarHBondContact O-CB 3.42Å; Q567-A571 PolarHBondContact O-N 3.49Å
568L90.9Very high80.4Confident86 Ų86101.4 Ų101.445%0.4555%0.553SS.*Hα-helixtrans-67.3-38.8174.3-179.261.6000112L563 S564 S566 L572L563-L568 HydrophobicContact CB-CB 4.32Å; S564-L568 PolarHBondContact O-N 2.97Å; S566-L568 VanDerWaalsContact C-N 3.31Å; S566-L568 PolarHBondContact O-N 2.81Å; L568-L572 HydrophobicContact CD1-CD1 4.19Å; L568-L572 HydrophobicContact CD1-CG 4.26Å; L568-L572 HydrophobicContact CG-CD1 4.09Å; L568-L572 WeakPolarHBondContact O-CB 3.24Å; L568-L572 VanDerWaalsContact O-CG 3.26Å; L568-L572 WeakPolarHBondContact O-CG 3.22Å; L568-L572 PolarHBondContact O-N 3.41Å
569Q90.3Very high82.8Confident114 Ų11495.3 Ų95.353%0.53353%0.526SS..Hα-helixtrans-64.2-47.9175.9-178-179.9-50.700111.6R565 S566 L572 L573R565-Q569 WeakPolarHBondContact O-CB 3.35Å; R565-Q569 PolarHBondContact O-N 3.42Å; R565-Q569 VanDerWaalsContact O-N 3.1Å; S566-Q569 WeakPolarHBondContact O-CB 3.37Å; S566-Q569 PolarHBondContact O-N 2.96Å; S566-Q569 VanDerWaalsContact O-N 3.13Å; Q569-L572 PolarHBondContact O-N 3.06Å; Q569-L573 WeakPolarHBondContact O-CB 3.47Å; Q569-L573 PolarHBondContact O-N 3.24Å
570E91.6Very high85.4Confident109 Ų10992.5 Ų92.551%0.50952%0.523SS..Hα-helixtrans-64-41.1176.3-65.4-52.9128.600111.6S566 L573 H574S566-E570 WeakPolarHBondContact O-CG 3.4Å; S566-E570 PolarHBondContact O-N 3.42Å; E570-L573 PolarHBondContact O-N 3.27Å; E570-H574 VanDerWaalsContact O-CB 3.26Å; E570-H574 WeakPolarHBondContact O-CB 3.36Å; E570-H574 PolarHBondContact O-N 3.41Å
571A90.6Very high87.4Confident36 Ų3691.5 Ų91.530%0.29851%0.51SS..Hα-helixtrans-62.7-43.317600000112.3Q567 H574 L575Q567-A571 WeakPolarHBondContact O-CB 3.42Å; Q567-A571 PolarHBondContact O-N 3.49Å; A571-H574 PolarHBondContact O-N 3.02Å; A571-L575 WeakPolarHBondContact O-CB 3.47Å; A571-L575 VanDerWaalsContact O-CG 3.27Å; A571-L575 WeakPolarHBondContact O-CG 3.23Å; A571-L575 PolarHBondContact O-N 3.45Å
572L92.7Very high89Confident74 Ų7491.5 Ų91.539%0.38749%0.493SS..Hα-helixtrans-66.1-39.9175.4-73.8170000112L568 Q569 L575 I576 F582L568-L572 HydrophobicContact CD1-CD1 4.19Å; L568-L572 HydrophobicContact CD1-CG 4.26Å; L568-L572 HydrophobicContact CG-CD1 4.09Å; L568-L572 WeakPolarHBondContact O-CB 3.24Å; L568-L572 VanDerWaalsContact O-CG 3.26Å; L568-L572 WeakPolarHBondContact O-CG 3.22Å; L568-L572 PolarHBondContact O-N 3.41Å; Q569-L572 PolarHBondContact O-N 3.06Å; L572-L575 PolarHBondContact O-N 3.19Å; L572-I576 WeakPolarHBondContact O-CB 3.5Å; L572-I576 WeakPolarHBondContact O-CD1 3.43Å; L572-I576 VanDerWaalsContact O-CG1 3.26Å; L572-I576 WeakPolarHBondContact O-CG1 3.45Å; L572-I576 PolarHBondContact O-N 3.09Å; L572-F582 HydrophobicContact CD2-CE1 4.44Å; L572-F582 HydrophobicContact CD2-CZ 3.91Å
573L92.8Very high90.2Very high76 Ų7690.4 Ų90.440%0.39847%0.473SS..Hα-helixtrans-65.2-43.6176.6-172.864.9000111.3Q569 E570 I576 Q577Q569-L573 WeakPolarHBondContact O-CB 3.47Å; Q569-L573 PolarHBondContact O-N 3.24Å; E570-L573 PolarHBondContact O-N 3.27Å; L573-I576 PolarHBondContact O-N 3.24Å; L573-Q577 VanDerWaalsContact O-CG 3.32Å; L573-Q577 WeakPolarHBondContact O-CG 3.41Å; L573-Q577 PolarHBondContact O-N 3.29Å
574H91.5Very high90.6Very high114 Ų11490.4 Ų90.453%0.52847%0.474SS..Hα-helixtrans-62.2-43.8175-177.5-77.7000111.9E570 A571 Q577 T578E570-H574 VanDerWaalsContact O-CB 3.26Å; E570-H574 WeakPolarHBondContact O-CB 3.36Å; E570-H574 PolarHBondContact O-N 3.41Å; A571-H574 PolarHBondContact O-N 3.02Å; H574-Q577 PolarHBondContact O-N 2.99Å; H574-T578 PolarHBondContact CE1-OG1 3.4Å; H574-T578 WeakPolarHBondContact O-CB 3.41Å; H574-T578 PolarHBondContact O-N 2.98Å; H574-T578 PolarHBondContact O-OG1 2.81Å
575L93.3Very high90.7Very high66 Ų6692 Ų9235%0.34649%0.485SS..Hα-helixtrans-62.9-42.8175.2-74.4168.8000111.8A571 L572 Q577 T578 D579 F582A571-L575 WeakPolarHBondContact O-CB 3.47Å; A571-L575 VanDerWaalsContact O-CG 3.27Å; A571-L575 WeakPolarHBondContact O-CG 3.23Å; A571-L575 PolarHBondContact O-N 3.45Å; L572-L575 PolarHBondContact O-N 3.19Å; L575-Q577 VanDerWaalsContact C-N 3.27Å; L575-Q577 PolarHBondContact O-N 3.32Å; L575-T578 PolarHBondContact O-N 2.95Å; L575-D579 HydrophobicContact CD2-CB 4.37Å; L575-D579 WeakPolarHBondContact O-CA 3.18Å; L575-D579 WeakPolarHBondContact O-CB 3.35Å; L575-D579 PolarHBondContact O-N 3.26Å; L575-F582 HydrophobicContact CB-CD1 3.66Å; L575-F582 HydrophobicContact CB-CE1 3.76Å; L575-F582 HydrophobicContact CB-CG 4.22Å; L575-F582 HydrophobicContact CB-CZ 4.42Å; L575-F582 HydrophobicContact CD1-CZ 4.38Å
576I92.8Very high90.9Very high75 Ų7585.5 Ų85.539%0.38547%0.466SS..Hα-helixtrans-61.5-34.3175.4-73.4166.2000112.3L572 L573 F582 L583L572-I576 WeakPolarHBondContact O-CB 3.5Å; L572-I576 WeakPolarHBondContact O-CD1 3.43Å; L572-I576 VanDerWaalsContact O-CG1 3.26Å; L572-I576 WeakPolarHBondContact O-CG1 3.45Å; L572-I576 PolarHBondContact O-N 3.09Å; L573-I576 PolarHBondContact O-N 3.24Å; I576-F582 HydrophobicContact CG1-CD1 4.29Å; I576-F582 HydrophobicContact CG1-CE1 4Å; I576-L583 HydrophobicContact CG2-CD1 4.39Å
577Q87.9Confident91Very high144 Ų14488.8 Ų88.867%0.67347%0.468SS*.Hα-helixtrans-86.4-28.8-178.9-70.3176.411.400114L573 H574 L575L573-Q577 VanDerWaalsContact O-CG 3.32Å; L573-Q577 WeakPolarHBondContact O-CG 3.41Å; L573-Q577 PolarHBondContact O-N 3.29Å; H574-Q577 PolarHBondContact O-N 2.99Å; L575-Q577 VanDerWaalsContact C-N 3.27Å; L575-Q577 PolarHBondContact O-N 3.32Å
578T89.2Confident90.9Very high96 Ų9691 Ų9159%0.58948%0.476SS*.Hα-helixtrans-110.6-30.4-168-49.40000113.3H574 L575H574-T578 PolarHBondContact CE1-OG1 3.4Å; H574-T578 WeakPolarHBondContact O-CB 3.41Å; H574-T578 PolarHBondContact O-N 2.98Å; H574-T578 PolarHBondContact O-OG1 2.81Å; L575-T578 PolarHBondContact O-N 2.95Å
579D92.6Very high90.6Very high56 Ų5690 Ų9030%0.29948%0.48SS..  trans-108.896.9180-174.9-8.3000110.6L575 S581 F582 L583L575-D579 HydrophobicContact CD2-CB 4.37Å; L575-D579 WeakPolarHBondContact O-CA 3.18Å; L575-D579 WeakPolarHBondContact O-CB 3.35Å; L575-D579 PolarHBondContact O-N 3.26Å; D579-S581 PolarHBondContact O-N 3.01Å; D579-S581 WeakPolarHBondContact OD1-CA 3.41Å; D579-S581 VanDerWaalsContact OD1-CB 3.3Å; D579-S581 WeakPolarHBondContact OD1-CB 3.19Å; D579-S581 PolarHBondContact OD1-N 3.32Å; D579-S581 PolarHBondContact OD1-OG 3.32Å; D579-F582 HydrophobicContact CB-CB 3.87Å; D579-F582 WeakPolarHBondContact O-CB 3.43Å; D579-F582 PolarHBondContact O-N 3.28Å; D579-F582 PolarHBondContact OD1-N 3.5Å; D579-L583 PolarHBondContact O-N 3.45Å; D579-L583 VanDerWaalsContact O-N 3.14Å
580S89.2Confident90.5Very high90 Ų9090.7 Ų90.763%0.62948%0.479SS*.Hα-helixtrans-61.9-26.817554.80000113L583 D584S580-L583 PolarHBondContact O-N 3.22Å; S580-D584 VanDerWaalsContact O-CB 3.31Å; S580-D584 WeakPolarHBondContact O-CB 3.35Å; S580-D584 PolarHBondContact O-N 3.36Å
581S87.1Confident90.3Very high76 Ų7688.3 Ų88.353%0.53147%0.471SS..Hα-helixtrans-75.5-33.6178.680.80000112.3D579 S585D579-S581 PolarHBondContact O-N 3.01Å; D579-S581 WeakPolarHBondContact OD1-CA 3.41Å; D579-S581 VanDerWaalsContact OD1-CB 3.3Å; D579-S581 WeakPolarHBondContact OD1-CB 3.19Å; D579-S581 PolarHBondContact OD1-N 3.32Å; D579-S581 PolarHBondContact OD1-OG 3.32Å; S581-S585 VanDerWaalsContact O-CB 3.25Å; S581-S585 WeakPolarHBondContact O-CB 3.44Å; S581-S585 PolarHBondContact O-N 3.12Å
582F92.6Very high90Very high58 Ų5889.5 Ų89.525%0.25448%0.477SS..Hα-helixtrans-64.4-46.6169.6-178.9-106.8000110.9L572 L575 I576 D579 S585 I586L572-F582 HydrophobicContact CD2-CE1 4.44Å; L572-F582 HydrophobicContact CD2-CZ 3.91Å; L575-F582 HydrophobicContact CB-CD1 3.66Å; L575-F582 HydrophobicContact CB-CE1 3.76Å; L575-F582 HydrophobicContact CB-CG 4.22Å; L575-F582 HydrophobicContact CB-CZ 4.42Å; L575-F582 HydrophobicContact CD1-CZ 4.38Å; I576-F582 HydrophobicContact CG1-CD1 4.29Å; I576-F582 HydrophobicContact CG1-CE1 4Å; D579-F582 HydrophobicContact CB-CB 3.87Å; D579-F582 WeakPolarHBondContact O-CB 3.43Å; D579-F582 PolarHBondContact O-N 3.28Å; D579-F582 PolarHBondContact OD1-N 3.5Å; F582-S585 WeakPolarHBondContact O-CB 3.41Å; F582-S585 PolarHBondContact O-N 3.42Å; F582-I586 HydrophobicContact CD1-CD1 3.91Å; F582-I586 HydrophobicContact CE1-CD1 3.49Å; F582-I586 VanDerWaalsContact CE1-CD1 3.49Å; F582-I586 HydrophobicContact CE2-CD1 4.2Å; F582-I586 HydrophobicContact CG-CD1 4.45Å; F582-I586 HydrophobicContact CZ-CD1 3.65Å; F582-I586 WeakPolarHBondContact O-CG1 3.47Å; F582-I586 PolarHBondContact O-N 3.32Å
583L91.8Very high89.6Confident78 Ų7892.5 Ų92.541%0.40848%0.483SS..Hα-helixtrans-64.1-44.7177-176.657.6000112.4I576 D579 S580 S585 I586 Y587I576-L583 HydrophobicContact CG2-CD1 4.39Å; D579-L583 PolarHBondContact O-N 3.45Å; D579-L583 VanDerWaalsContact O-N 3.14Å; S580-L583 PolarHBondContact O-N 3.22Å; L583-S585 VanDerWaalsContact C-N 3.32Å; L583-S585 PolarHBondContact O-N 2.96Å; L583-I586 PolarHBondContact O-N 2.65Å; L583-Y587 WeakPolarHBondContact O-CB 3.4Å; L583-Y587 PolarHBondContact O-N 3.43Å
584D89.1Confident88.8Confident105 Ų10593.3 Ų93.356%0.56148%0.484SS*.Hα-helixtrans-62.3-37174.7-90.5-19.2000112.1S580 Y587 K588S580-D584 VanDerWaalsContact O-CB 3.31Å; S580-D584 WeakPolarHBondContact O-CB 3.35Å; S580-D584 PolarHBondContact O-N 3.36Å; D584-Y587 PolarHBondContact O-N 2.99Å; D584-K588 WeakPolarHBondContact O-CB 3.42Å; D584-K588 PolarHBondContact O-N 3.01Å
585S92.1Very high87.6Confident80 Ų8090.7 Ų90.756%0.55948%0.482SS*.Hα-helixtrans-63.4-46.1175.8-171.20000111.5S581 F582 L583 A589S581-S585 VanDerWaalsContact O-CB 3.25Å; S581-S585 WeakPolarHBondContact O-CB 3.44Å; S581-S585 PolarHBondContact O-N 3.12Å; F582-S585 WeakPolarHBondContact O-CB 3.41Å; F582-S585 PolarHBondContact O-N 3.42Å; L583-S585 VanDerWaalsContact C-N 3.32Å; L583-S585 PolarHBondContact O-N 2.96Å; S585-A589 WeakPolarHBondContact O-CB 3.46Å; S585-A589 PolarHBondContact O-N 3.18Å
586I92.3Very high85.9Confident82 Ų8294.6 Ų94.642%0.42150%0.503SS..Hα-helixtrans-64-46.1175.1-69171.3000111F582 L583 A589 Y590F582-I586 HydrophobicContact CD1-CD1 3.91Å; F582-I586 HydrophobicContact CE1-CD1 3.49Å; F582-I586 VanDerWaalsContact CE1-CD1 3.49Å; F582-I586 HydrophobicContact CE2-CD1 4.2Å; F582-I586 HydrophobicContact CG-CD1 4.45Å; F582-I586 HydrophobicContact CZ-CD1 3.65Å; F582-I586 WeakPolarHBondContact O-CG1 3.47Å; F582-I586 PolarHBondContact O-N 3.32Å; L583-I586 PolarHBondContact O-N 2.65Å; I586-A589 PolarHBondContact O-N 2.91Å; I586-Y590 WeakPolarHBondContact O-CB 3.37Å; I586-Y590 PolarHBondContact O-N 3.38Å
587Y89.9Confident84.1Confident143 Ų14394.2 Ų94.256%0.56152%0.518SS*.Hα-helixtrans-64-42.3179.5179.3-106.8000111.8L583 D584 Y590 V591L583-Y587 WeakPolarHBondContact O-CB 3.4Å; L583-Y587 PolarHBondContact O-N 3.43Å; D584-Y587 PolarHBondContact O-N 2.99Å; Y587-Y590 WeakPolarHBondContact O-CB 3.46Å; Y587-Y590 PolarHBondContact O-N 3.11Å; Y587-V591 HydrophobicContact CD1-CG2 4.23Å; Y587-V591 HydrophobicContact CD2-CG2 4.22Å; Y587-V591 HydrophobicContact CE1-CG2 3.77Å; Y587-V591 HydrophobicContact CE2-CG2 3.76Å; Y587-V591 HydrophobicContact CG-CG2 4.44Å; Y587-V591 WeakPolarHBondContact O-CG2 3.44Å; Y587-V591 PolarHBondContact O-N 3.45Å
588K87.8Confident82.3Confident153 Ų15392.6 Ų92.667%0.66552%0.523SS*.Hα-helixtrans-63.5-41.4175.4-176.3176.6-179.5178.70111.9D584 S592D584-K588 WeakPolarHBondContact O-CB 3.42Å; D584-K588 PolarHBondContact O-N 3.01Å; K588-S592 VanDerWaalsContact O-CB 3.28Å; K588-S592 WeakPolarHBondContact O-CB 3.3Å; K588-S592 PolarHBondContact O-N 2.97Å; K588-S592 PolarHBondContact O-OG 3.45Å
589A84.6Confident80.4Confident66 Ų6691.8 Ų91.855%0.54553%0.533SS..Hα-helixtrans-63.8-42.3173.900000111.5S585 I586 R593S585-A589 WeakPolarHBondContact O-CB 3.46Å; S585-A589 PolarHBondContact O-N 3.18Å; I586-A589 PolarHBondContact O-N 2.91Å; A589-R593 PolarHBondContact O-N 2.89Å
590Y88.1Confident78.1Confident128 Ų12894.5 Ų94.550%0.50256%0.557SS.*Hα-helixtrans-60.2-53.7174.3177.2-88.6000111.7I586 Y587 S592 R593 F594I586-Y590 WeakPolarHBondContact O-CB 3.37Å; I586-Y590 PolarHBondContact O-N 3.38Å; Y587-Y590 WeakPolarHBondContact O-CB 3.46Å; Y587-Y590 PolarHBondContact O-N 3.11Å; Y590-S592 VanDerWaalsContact C-N 3.33Å; Y590-S592 PolarHBondContact O-N 3.48Å; Y590-R593 VanDerWaalsContact O-CB 3.26Å; Y590-R593 WeakPolarHBondContact O-CB 3.31Å; Y590-R593 PolarHBondContact O-N 2.93Å; Y590-R593 VanDerWaalsContact O-N 3.13Å; Y590-F594 HydrophobicContact CD1-CD2 4.28Å; Y590-F594 HydrophobicContact CD1-CE2 4.1Å; Y590-F594 HydrophobicContact CD2-CE2 4.05Å; Y590-F594 HydrophobicContact CE1-CD2 4.05Å; Y590-F594 AromaticContact CE1-CE2 3.71Å; Y590-F594 HydrophobicContact CE1-CE2 3.71Å; Y590-F594 AromaticContact CE2-CE2 3.67Å; Y590-F594 HydrophobicContact CE2-CE2 3.67Å; Y590-F594 HydrophobicContact CE2-CZ 4.26Å; Y590-F594 HydrophobicContact CG-CE2 4.25Å; Y590-F594 AromaticContact CZ-CE2 3.48Å; Y590-F594 VanDerWaalsContact CZ-CE2 3.48Å; Y590-F594 WeakPolarHBondContact O-CD2 3.4Å
591V88Confident76.1Confident59 Ų5999.3 Ų99.336%0.35857%0.566SS.*Hα-helixtrans-62.5-38.9-179.6172.40000111.7Y587 R593 F594 A595Y587-V591 HydrophobicContact CD1-CG2 4.23Å; Y587-V591 HydrophobicContact CD2-CG2 4.22Å; Y587-V591 HydrophobicContact CE1-CG2 3.77Å; Y587-V591 HydrophobicContact CE2-CG2 3.76Å; Y587-V591 HydrophobicContact CG-CG2 4.44Å; Y587-V591 WeakPolarHBondContact O-CG2 3.44Å; Y587-V591 PolarHBondContact O-N 3.45Å; V591-R593 PolarHBondContact O-N 3.32Å; V591-F594 PolarHBondContact O-N 3.04Å; V591-A595 PolarHBondContact O-N 3.45Å
592S85.1Confident73.8Confident61 Ų61110.7 Ų110.743%0.42760%0.599SS.*Hα-helixtrans-59.6-29177.2-59.40000112.9K588 Y590 F594K588-S592 VanDerWaalsContact O-CB 3.28Å; K588-S592 WeakPolarHBondContact O-CB 3.3Å; K588-S592 PolarHBondContact O-N 2.97Å; K588-S592 PolarHBondContact O-OG 3.45Å; Y590-S592 VanDerWaalsContact C-N 3.33Å; Y590-S592 PolarHBondContact O-N 3.48Å; S592-F594 VanDerWaalsContact C-N 3.31Å; S592-F594 PolarHBondContact O-N 3.49Å
593R83.1Confident72.8Confident136 Ų136113.3 Ų113.351%0.51362%0.617SS.*Hα-helixtrans-66.2-30.5174.5-172-179.5175.5-175.6-2.3112.9T177 A589 Y590 V591T177-R593 PolarHBondContact OG1-NH1 3.34Å; T177-R593 PolarHBondContact OG1-NH2 2.91Å; A589-R593 PolarHBondContact O-N 2.89Å; Y590-R593 VanDerWaalsContact O-CB 3.26Å; Y590-R593 WeakPolarHBondContact O-CB 3.31Å; Y590-R593 PolarHBondContact O-N 2.93Å; Y590-R593 VanDerWaalsContact O-N 3.13Å; V591-R593 PolarHBondContact O-N 3.32Å
594F76.4Confident71.8Confident94 Ų94115.2 Ų115.241%0.41263%0.628SS.*Hα-helixtrans-97.6-31.1-177.8-62.2-80000113Y590 V591 S592 N596 G597Y590-F594 HydrophobicContact CD1-CD2 4.28Å; Y590-F594 HydrophobicContact CD1-CE2 4.1Å; Y590-F594 HydrophobicContact CD2-CE2 4.05Å; Y590-F594 HydrophobicContact CE1-CD2 4.05Å; Y590-F594 AromaticContact CE1-CE2 3.71Å; Y590-F594 HydrophobicContact CE1-CE2 3.71Å; Y590-F594 AromaticContact CE2-CE2 3.67Å; Y590-F594 HydrophobicContact CE2-CE2 3.67Å; Y590-F594 HydrophobicContact CE2-CZ 4.26Å; Y590-F594 HydrophobicContact CG-CE2 4.25Å; Y590-F594 AromaticContact CZ-CE2 3.48Å; Y590-F594 VanDerWaalsContact CZ-CE2 3.48Å; Y590-F594 WeakPolarHBondContact O-CD2 3.4Å; V591-F594 PolarHBondContact O-N 3.04Å; S592-F594 VanDerWaalsContact C-N 3.31Å; S592-F594 PolarHBondContact O-N 3.49Å; F594-N596 PolarHBondContact O-N 3.16Å; F594-G597 PolarHBondContact O-N 3.07Å; F594-G597 VanDerWaalsContact O-N 3.13Å
595A66.9Low70.9Confident58 Ų58115.7 Ų115.748%0.47963%0.631SS.*Hα-helixtrans-58.9-33.2-179.800000113.4V591 G597V591-A595 PolarHBondContact O-N 3.45Å; A595-G597 PolarHBondContact O-N 3Å
596N58Low69.6Low148 Ų148117.8 Ų117.879%0.79164%0.636SS**THydrogen-bonded Turntrans-75.20.8-179.8-68.6-8.8000114.3F594F594-N596 PolarHBondContact O-N 3.16Å
597G53.3Low68.2Low67 Ų67120.1 Ų120.169%0.69165%0.649SS**THydrogen-bonded Turntrans-85.6-12.9-174.500000116.6F594 A595F594-G597 PolarHBondContact O-N 3.07Å; F594-G597 VanDerWaalsContact O-N 3.13Å; A595-G597 PolarHBondContact O-N 3Å
598S51.4Low66.8Low111 Ų111118.5 Ų118.578%0.77666%0.655SS**SBendtrans-95.3-14-167.854.80000115.8S600S598-S600 PolarHBondContact O-N 2.9Å
599G49.2Very low65.3Low78 Ų78116.1 Ų116.180%0.80465%0.654SS**SBendtrans-89.27.2-166.300000117.6
600S44.4Very low63.8Low114 Ų114119.9 Ų119.980%0.79766%0.662SS**  trans-128.952.6-168.3-159.90000114.2S598S598-S600 PolarHBondContact O-N 2.9Å
601K46.8Very low61.7Low190 Ų190119.3 Ų119.383%0.82668%0.676SS**  trans-151.8100.4160.3-72-167.5-178.7-179.90110
602Y38.3Very low59.3Low315 Ų315124.7 Ų124.7100%1.23571%0.705SS**  trans-170.70136.5-94.9-60.6000109.3

Retrieved 602 of 602 residues in 225.2 ms (Link to these results)

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