A0A5K4FBF9_SCHMA Loading...

LIM/homeobox protein Lhx3

AlphaFold DB , UniProt , Accession A0A5K4FBF9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 462 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
1M48.1Very low71.3Confident222 Ų22292.8 Ų92.8100%1.09445%0.447SS*.  0127.50-72.7179.3173.800107.4
2D55.1Low72.3Confident70 Ų7093 Ų9337%0.37447%0.465SS..  trans-68.7131.6175.1-69.9-10.5000108.9T4 N16D2-T4 PolarHBondContact O-N 3.06Å; D2-N16 PolarHBondContact OD2-ND2 3.08Å
3R72.3Confident72.9Confident209 Ų20991.2 Ų91.279%0.78945%0.45SS*.SBendtrans-78.91-176.6-65.4-177.9179.3175.2-0.9113.7I424R3-I424 PolarHBondContact O-N 3.36Å
4T70.7Confident73.7Confident33 Ų3391.7 Ų91.720%0.20245%0.45CS..EExtended strand (participates in β ladder)trans-142.7132.3-174.952.60000109.3D2 V15 Q422 V423D2-T4 PolarHBondContact O-N 3.06Å; T4-V15 WeakPolarHBondContact OG1-CG2 3.48Å; T4-Q422 WeakPolarHBondContact CA-O 3.48Å; T4-V423 HydrophobicContact CG2-CB 4.48Å; T4-V423 HydrophobicContact CG2-CG1 4.45Å; T4-V423 HydrophobicContact CG2-CG2 4.09Å
5I80Confident74.3Confident46 Ų4688.6 Ų88.624%0.23644%0.438CS..EExtended strand (participates in β ladder)trans-117.8140.5175.2-65.1-171.7000107.5Q422 I424I5-Q422 PolarHBondContact N-O 2.84Å; I5-Q422 VanDerWaalsContact N-O 3.14Å; I5-Q422 PolarHBondContact O-N 2.85Å; I5-I424 HydrophobicContact CB-CD1 4.22Å; I5-I424 HydrophobicContact CD1-CD1 3.57Å; I5-I424 HydrophobicContact CG1-CD1 3.83Å
6L78.2Confident74.9Confident5 Ų589.4 Ų89.43%0.02645%0.445CS..EExtended strand (participates in β ladder)trans-99.3132.6173.5-59.6177.8000108.5W13 V15 L18 L419 K421L6-W13 PolarHBondContact N-O 3.48Å; L6-W13 PolarHBondContact O-N 3.44Å; L6-V15 HydrophobicContact CD1-CG1 4.48Å; L6-V15 HydrophobicContact CD1-CG2 4.31Å; L6-V15 HydrophobicContact CG-CG2 4.11Å; L6-L18 HydrophobicContact CB-CD2 4.16Å; L6-L18 HydrophobicContact CD1-CB 4.39Å; L6-L18 HydrophobicContact CD1-CD2 3.7Å; L6-L419 HydrophobicContact CB-CD2 4.45Å; L6-L419 HydrophobicContact CD1-CD1 4.48Å; L6-K421 HydrophobicContact CD2-CB 4.08Å; L6-K421 HydrophobicContact CD2-CG 4.05Å
7Q77.3Confident75.5Confident84 Ų8488.3 Ų88.339%0.39345%0.447SS..EExtended strand (participates in β ladder)trans-102.7126.2175.4-171.5175.7-22.600110.1L9 N420Q7-L9 PolarHBondContact NE2-O 3.34Å; Q7-N420 PolarHBondContact N-O 3.01Å
8V75.1Confident76.2Confident5 Ų583.4 Ų83.43%0.0342%0.422CS..EExtended strand (participates in β ladder)trans-122.3125.7171.3-179.70000107.3N10 Q11 L18 C31 V33 L38 F417 L419V8-N10 PolarHBondContact O-N 2.78Å; V8-N10 VanDerWaalsContact O-N 3.1Å; V8-Q11 PolarHBondContact N-O 3.01Å; V8-Q11 PolarHBondContact O-N 3.02Å; V8-Q11 VanDerWaalsContact O-O 3.14Å; V8-L18 HydrophobicContact CG2-CD1 3.84Å; V8-L18 HydrophobicContact CG2-CD2 4.07Å; V8-C31 VanDerWaalsContact CG2-SG 3.58Å; V8-V33 HydrophobicContact CG1-CG2 3.76Å; V8-L38 HydrophobicContact CG1-CD2 4.27Å; V8-F417 HydrophobicContact CG1-CD2 4.39Å; V8-L419 HydrophobicContact CG2-CD2 3.28Å
9L73.4Confident76.9Confident83 Ų8384.4 Ų84.444%0.43542%0.423SS..THydrogen-bonded Turntrans50.9-119.4-172.7-68.4156.2000109.6Q7 V33 F417Q7-L9 PolarHBondContact NE2-O 3.34Å; L9-V33 HydrophobicContact CD1-CB 4.32Å; L9-V33 HydrophobicContact CD1-CG1 4.01Å; L9-V33 HydrophobicContact CD1-CG2 4.09Å; L9-F417 HydrophobicContact CD1-CE2 4Å; L9-F417 HydrophobicContact CD1-CZ 4.47Å; L9-F417 HydrophobicContact CD2-CE1 3.89Å; L9-F417 HydrophobicContact CD2-CE2 3.56Å; L9-F417 HydrophobicContact CD2-CZ 3.18Å; L9-F417 HydrophobicContact CG-CD2 4.19Å; L9-F417 HydrophobicContact CG-CE1 4.36Å; L9-F417 HydrophobicContact CG-CE2 3.61Å; L9-F417 HydrophobicContact CG-CZ 3.72Å
10N76.2Confident77.7Confident159 Ų15980.4 Ų80.485%0.8540%0.403SS*.THydrogen-bonded Turntrans-107.815.8178.2-63.7-18.5000112.7V8V8-N10 PolarHBondContact O-N 2.78Å; V8-N10 VanDerWaalsContact O-N 3.1Å
11Q78.5Confident78.3Confident105 Ų10582.3 Ų82.349%0.49141%0.413SS..EExtended strand (participates in β ladder)trans-115.3139.5-178.7-63.2-172.719.800111.8V8 W13V8-Q11 PolarHBondContact N-O 3.01Å; V8-Q11 PolarHBondContact O-N 3.02Å; V8-Q11 VanDerWaalsContact O-O 3.14Å; Q11-W13 VanDerWaalsContact OE1-CZ2 3.26Å
12S82.8Confident80.3Confident95 Ų9574.2 Ų74.266%0.66437%0.374SS*.EExtended strand (participates in β ladder)trans-101.4126.8178.9410000111.1
13W80.8Confident82.1Confident69 Ų6973.8 Ų73.826%0.26138%0.375SS..EExtended strand (participates in β ladder)trans-122.4136.5-175.3-60.183.1000111.2L6 Q11 C17 L18 L38L6-W13 PolarHBondContact N-O 3.48Å; L6-W13 PolarHBondContact O-N 3.44Å; Q11-W13 VanDerWaalsContact OE1-CZ2 3.26Å; W13-C17 HydrophobicContact CE3-CB 4.47Å; W13-L18 HydrophobicContact CB-CB 3.96Å; W13-L18 HydrophobicContact CB-CD1 3.82Å; W13-L18 HydrophobicContact CB-CG 4.41Å; W13-L18 HydrophobicContact CD2-CD1 3.65Å; W13-L18 HydrophobicContact CE3-CD1 4.19Å; W13-L18 HydrophobicContact CG-CB 4.47Å; W13-L18 HydrophobicContact CG-CD1 3.45Å; W13-L18 VanDerWaalsContact CG-CD1 3.45Å; W13-L38 HydrophobicContact CD2-CD1 4.34Å; W13-L38 HydrophobicContact CE3-CD1 4.41Å; W13-L38 HydrophobicContact CH2-CD1 3.81Å; W13-L38 HydrophobicContact CZ2-CD1 3.7Å; W13-L38 HydrophobicContact CZ3-CD1 4.17Å
14H83.3Confident83Confident99 Ų9965.6 Ų65.646%0.45836%0.356SS..EExtended strand (participates in β ladder)trans-61.9143.6162.7-55.9114.8000109.3N16 C17 L18H14-N16 PolarHBondContact O-N 3.29Å; H14-N16 VanDerWaalsContact O-N 3.09Å; H14-C17 HydrophobicContact CB-CB 4.04Å; H14-C17 PolarHBondContact O-N 2.9Å; H14-L18 PolarHBondContact O-N 3.42Å; H14-L18 VanDerWaalsContact O-N 3.08Å
15V83.1Confident84Confident45 Ų4567.9 Ų67.927%0.27337%0.37SS..THydrogen-bonded Turntrans-54.7-33.3178.7-1780000111.8T4 L6T4-V15 WeakPolarHBondContact OG1-CG2 3.48Å; L6-V15 HydrophobicContact CD1-CG1 4.48Å; L6-V15 HydrophobicContact CD1-CG2 4.31Å; L6-V15 HydrophobicContact CG-CG2 4.11Å
16N83.4Confident84.5Confident102 Ų10268.4 Ų68.455%0.54538%0.378SS..THydrogen-bonded Turntrans-82.7-16.4178.5-63-48.9000114.3D2 H14 K19D2-N16 PolarHBondContact OD2-ND2 3.08Å; H14-N16 PolarHBondContact O-N 3.29Å; H14-N16 VanDerWaalsContact O-N 3.09Å; N16-K19 VanDerWaalsContact O-CE 3.23Å; N16-K19 WeakPolarHBondContact O-CE 3.48Å
17C86Confident84.9Confident70 Ų7068.6 Ų68.647%0.47338%0.379SS..THydrogen-bonded Turntrans-92.4-27.2178.2-67.20000112.4W13 H14 K19W13-C17 HydrophobicContact CE3-CB 4.47Å; H14-C17 HydrophobicContact CB-CB 4.04Å; H14-C17 PolarHBondContact O-N 2.9Å; C17-K19 PolarHBondContact O-N 3.05Å
18L86.9Confident85Confident0 Ų068.6 Ų68.60%039%0.388CS..  trans-74.792178.5-164.276.7000110.3L6 V8 W13 H14 S26 L27 L38 L419L6-L18 HydrophobicContact CB-CD2 4.16Å; L6-L18 HydrophobicContact CD1-CB 4.39Å; L6-L18 HydrophobicContact CD1-CD2 3.7Å; V8-L18 HydrophobicContact CG2-CD1 3.84Å; V8-L18 HydrophobicContact CG2-CD2 4.07Å; W13-L18 HydrophobicContact CB-CB 3.96Å; W13-L18 HydrophobicContact CB-CD1 3.82Å; W13-L18 HydrophobicContact CB-CG 4.41Å; W13-L18 HydrophobicContact CD2-CD1 3.65Å; W13-L18 HydrophobicContact CE3-CD1 4.19Å; W13-L18 HydrophobicContact CG-CB 4.47Å; W13-L18 HydrophobicContact CG-CD1 3.45Å; W13-L18 VanDerWaalsContact CG-CD1 3.45Å; H14-L18 PolarHBondContact O-N 3.42Å; H14-L18 VanDerWaalsContact O-N 3.08Å; L18-S26 CarbonylContact O-C 3.57Å; L18-S26 WeakPolarHBondContact O-CA 3.42Å; L18-L27 HydrophobicContact CD2-CB 4.05Å; L18-L27 WeakPolarHBondContact CD2-O 3.39Å; L18-L27 HydrophobicContact CG-CB 4.13Å; L18-L27 PolarHBondContact O-N 2.88Å; L18-L38 HydrophobicContact CD1-CD1 3.45Å; L18-L38 VanDerWaalsContact CD1-CD1 3.45Å; L18-L38 HydrophobicContact CD1-CD2 4.21Å; L18-L38 HydrophobicContact CD1-CG 4.47Å; L18-L419 HydrophobicContact CD2-CD1 3.67Å; L18-L419 HydrophobicContact CD2-CD2 3.49Å; L18-L419 VanDerWaalsContact CD2-CD2 3.49Å; L18-L419 HydrophobicContact CD2-CG 4.27Å
19K90.7Very high85Confident102 Ų10275.7 Ų75.744%0.44342%0.421SS..BIsolated β-bridgetrans-127.9153.7-176.1-69.7-179.8168.3-167.50111.3N16 C17 G24 T25N16-K19 VanDerWaalsContact O-CE 3.23Å; N16-K19 WeakPolarHBondContact O-CE 3.48Å; C17-K19 PolarHBondContact O-N 3.05Å; K19-G24 WeakPolarHBondContact CD-O 3.39Å; K19-T25 CarbonylContact C-O 3.55Å; K19-T25 WeakPolarHBondContact CA-O 3.42Å
20C92.3Very high85.3Confident4 Ų477.4 Ų77.43%0.02743%0.425CS..  trans-67.2135.2167.9-177.40000111.2D22 C23 G24 T25 L27 L38 C40 D43C20-D22 VanDerWaalsContact C-N 3.31Å; C20-D22 PolarHBondContact O-N 3.29Å; C20-D22 PolarHBondContact SG-N 2.91Å; C20-D22 VanDerWaalsContact SG-N 3.42Å; C20-C23 VanDerWaalsContact CB-SG 3.56Å; C20-G24 WeakPolarHBondContact O-CA 3.32Å; C20-G24 PolarHBondContact O-N 2.81Å; C20-T25 PolarHBondContact N-O 3Å; C20-L27 HydrophobicContact CB-CD2 4.21Å; C20-L38 CarbonylContact C-O 3.57Å; C20-L38 WeakPolarHBondContact CA-O 3.39Å; C20-C40 HydrophobicContact CB-CB 4.05Å; C20-C40 PolarHBondContact SG-N 3.11Å; C20-D43 PolarHBondContact SG-OD2 3.48Å
21M90.9Very high85.7Confident122 Ų12269.8 Ų69.860%0.60138%0.384SS*.THydrogen-bonded Turntrans-62.5-33176.2-17161.3175.100113.5L38 Y39M21-L38 WeakPolarHBondContact CB-O 3.35Å; M21-L38 PolarHBondContact N-O 3.3Å; M21-Y39 HydrophobicContact CB-CE1 4.25Å
22D89.7Confident86Confident52 Ų5265.6 Ų65.628%0.27836%0.364SS..THydrogen-bonded Turntrans-85-62.9-178.5-98.27.4000112.4C20 D43 R46 R47C20-D22 VanDerWaalsContact C-N 3.31Å; C20-D22 PolarHBondContact O-N 3.29Å; C20-D22 PolarHBondContact SG-N 2.91Å; C20-D22 VanDerWaalsContact SG-N 3.42Å; D22-D43 HydrophobicContact CB-CB 3.81Å; D22-D43 WeakPolarHBondContact CB-OD2 3.48Å; D22-R46 IonicContact OD2-CZ 2.72Å; D22-R46 IonicContact OD2-NH2 3.39Å; D22-R46 PolarHBondContact OD2-NH2 3.38Å; D22-R47 IonicContact OD1-CZ 3.77Å; D22-R47 IonicContact OD1-NE 2.64Å; D22-R47 PolarHBondContact OD1-NE 3.39Å; D22-R47 IonicContact OD1-NH2 3.91Å; D22-R47 PolarHBondContact OD1-NH2 3.34Å; D22-R47 IonicContact OD2-CZ 3.24Å; D22-R47 IonicContact OD2-NE 3.04Å; D22-R47 PolarHBondContact OD2-NE 3.32Å; D22-R47 IonicContact OD2-NH2 3.6Å
23C92.8Very high86.1Confident60 Ų6062.1 Ų62.141%0.40534%0.339SS..THydrogen-bonded Turntrans-89.7-9.1-176.165.30000115.6C20 T25 D43C20-C23 VanDerWaalsContact CB-SG 3.56Å; C23-T25 PolarHBondContact O-N 3.47Å; C23-T25 VanDerWaalsContact O-N 3.16Å; C23-T25 VanDerWaalsContact SG-CB 3.51Å; C23-T25 PolarHBondContact SG-OG1 2.64Å; C23-D43 WeakPolarHBondContact CB-OD2 3.47Å; C23-D43 PolarHBondContact N-OD2 2.98Å; C23-D43 PolarHBondContact SG-OD2 3.27Å
24G91.4Very high86.1Confident37 Ų3761.8 Ų61.838%0.38134%0.338SS..  trans70.21.8-176.500000115.6K19 C20K19-G24 WeakPolarHBondContact CD-O 3.39Å; C20-G24 WeakPolarHBondContact O-CA 3.32Å; C20-G24 PolarHBondContact O-N 2.81Å
25T91.2Very high86.2Confident82 Ų8262.5 Ų62.550%0.50335%0.349SS..  trans-65.2133.7179.2-57.30000110.9K19 C20 C23 L27K19-T25 CarbonylContact C-O 3.55Å; K19-T25 WeakPolarHBondContact CA-O 3.42Å; C20-T25 PolarHBondContact N-O 3Å; C23-T25 PolarHBondContact O-N 3.47Å; C23-T25 VanDerWaalsContact O-N 3.16Å; C23-T25 VanDerWaalsContact SG-CB 3.51Å; C23-T25 PolarHBondContact SG-OG1 2.64Å; T25-L27 PolarHBondContact O-N 3.05Å
26S89.9Confident86.2Confident57 Ų5767 Ų6740%0.39937%0.372SS..BIsolated β-bridgetrans-66128.8175.4-620000111.3L18L18-S26 CarbonylContact O-C 3.57Å; L18-S26 WeakPolarHBondContact O-CA 3.42Å
27L86.7Confident86.3Confident9 Ų965.3 Ų65.35%0.04736%0.36CS..  trans-89.7115.5-178-54.4175.3000108.8L18 C20 T25 C31 L38 C40 L419L18-L27 HydrophobicContact CD2-CB 4.05Å; L18-L27 WeakPolarHBondContact CD2-O 3.39Å; L18-L27 HydrophobicContact CG-CB 4.13Å; L18-L27 PolarHBondContact O-N 2.88Å; C20-L27 HydrophobicContact CB-CD2 4.21Å; T25-L27 PolarHBondContact O-N 3.05Å; L27-C31 HydrophobicContact CB-CB 4.4Å; L27-C31 HydrophobicContact CD1-CB 3.64Å; L27-L38 HydrophobicContact CD1-CB 4.13Å; L27-L38 HydrophobicContact CD1-CD2 4.49Å; L27-C40 HydrophobicContact CD2-CB 3.64Å; L27-L419 HydrophobicContact CB-CD1 4.28Å; L27-L419 WeakPolarHBondContact O-CD1 3.36Å
28S79.2Confident86.4Confident83 Ų8362.7 Ų62.758%0.5834%0.342SS*.SBendtrans-110.5-28.9-174.154.90000115.1
29E75.8Confident86.5Confident154 Ų15462.7 Ų62.772%0.7234%0.342SS*.SBendtrans-117.3-50-173.4-64.3179.5-174.300113.3L419E29-L419 WeakPolarHBondContact O-CB 3.49Å; E29-L419 PolarHBondContact O-N 3.25Å
30K80.5Confident86.3Confident119 Ų11958.3 Ų58.352%0.51732%0.324SS..EExtended strand (participates in β ladder)trans-136.8148.6179.2-64.1-173.6176.4-170.20110.6F417K30-F417 WeakPolarHBondContact CA-O 3.35Å
31C84.9Confident85.8Confident0 Ų062.6 Ų62.60%034%0.342CS..EExtended strand (participates in β ladder)trans-136.8147.9171.460.70000110.6V8 L27 L38 F417V8-C31 VanDerWaalsContact CG2-SG 3.58Å; L27-C31 HydrophobicContact CB-CB 4.4Å; L27-C31 HydrophobicContact CD1-CB 3.64Å; C31-L38 HydrophobicContact CB-CD2 3.89Å; C31-F417 PolarHBondContact N-O 3.1Å; C31-F417 PolarHBondContact O-N 2.89Å; C31-F417 VanDerWaalsContact O-N 3.08Å
32F83.7Confident85.4Confident17 Ų1762.9 Ų62.98%0.07534%0.342CS..EExtended strand (participates in β ladder)trans-106.9122.8174.3-66.5-98.9000108.4Y39 K41 F44 F45 C416F32-Y39 PolarHBondContact N-O 2.9Å; F32-Y39 PolarHBondContact O-N 3.08Å; F32-K41 HydrophobicContact CD2-CB 4.44Å; F32-K41 HydrophobicContact CE2-CB 3.73Å; F32-K41 HydrophobicContact CE2-CG 3.89Å; F32-K41 HydrophobicContact CZ-CB 4.46Å; F32-K41 HydrophobicContact CZ-CG 4.12Å; F32-F44 HydrophobicContact CB-CB 3.76Å; F32-F44 HydrophobicContact CB-CD1 4.17Å; F32-F44 HydrophobicContact CB-CD2 3.48Å; F32-F44 VanDerWaalsContact CB-CD2 3.48Å; F32-F44 HydrophobicContact CB-CE2 4.21Å; F32-F44 HydrophobicContact CB-CG 3.49Å; F32-F44 VanDerWaalsContact CB-CG 3.49Å; F32-F44 HydrophobicContact CD1-CB 4.37Å; F32-F44 AromaticContact CD1-CD1 3.58Å; F32-F44 HydrophobicContact CD1-CD1 3.58Å; F32-F44 HydrophobicContact CD1-CD2 4.38Å; F32-F44 HydrophobicContact CD1-CE1 4.04Å; F32-F44 AromaticContact CD1-CG 3.81Å; F32-F44 HydrophobicContact CD1-CG 3.81Å; F32-F44 HydrophobicContact CD2-CB 4.22Å; F32-F44 HydrophobicContact CD2-CG 4.49Å; F32-F44 HydrophobicContact CE1-CD1 4.2Å; F32-F44 HydrophobicContact CG-CB 3.85Å; F32-F44 AromaticContact CG-CD1 3.94Å; F32-F44 HydrophobicContact CG-CD1 3.94Å; F32-F44 HydrophobicContact CG-CD2 4.17Å; F32-F44 AromaticContact CG-CG 3.68Å; F32-F44 HydrophobicContact CG-CG 3.68Å; F32-F45 HydrophobicContact CE1-CE2 4.34Å; F32-F45 HydrophobicContact CE1-CZ 4.3Å; F32-F45 HydrophobicContact CZ-CE2 4.14Å; F32-F45 HydrophobicContact CZ-CZ 4.49Å; F32-C416 HydrophobicContact CD1-CB 4.28Å; F32-C416 HydrophobicContact CE1-CB 3.84Å; F32-C416 HydrophobicContact CZ-CB 4.31Å
33V84.7Confident85.3Confident22 Ų2260.6 Ų60.613%0.13333%0.33CS..EExtended strand (participates in β ladder)trans-103.1129.6178.6-176.80000109.2V8 L9 E37 L38 F417V8-V33 HydrophobicContact CG1-CG2 3.76Å; L9-V33 HydrophobicContact CD1-CB 4.32Å; L9-V33 HydrophobicContact CD1-CG1 4.01Å; L9-V33 HydrophobicContact CD1-CG2 4.09Å; V33-E37 WeakPolarHBondContact CA-O 3.43Å; V33-L38 HydrophobicContact CG2-CD2 3.76Å; V33-F417 HydrophobicContact CB-CE2 4.44Å; V33-F417 HydrophobicContact CG2-CD2 3.98Å; V33-F417 HydrophobicContact CG2-CE2 4.28Å
34R82Confident84.9Confident62 Ų6258.2 Ų58.223%0.23431%0.312CS..EExtended strand (participates in β ladder)trans-145.4128.6170.4179.4168.3173.5147-2.9108.8D36 E37 F44 F412R34-D36 VanDerWaalsContact C-N 3.25Å; R34-D36 PolarHBondContact O-N 3.23Å; R34-E37 PolarHBondContact N-O 3.44Å; R34-E37 WeakPolarHBondContact O-CB 3.28Å; R34-E37 PolarHBondContact O-N 2.8Å; R34-F44 HydrophobicContact CB-CE2 4.14Å; R34-F412 VanDerWaalsContact NH2-CD1 3.34Å
35T85.3Confident84.5Confident113 Ų11358.3 Ų58.369%0.69330%0.302SS*.THydrogen-bonded Turntrans47.947.9-179.748.50000112.7E37T35-E37 PolarHBondContact O-N 3.44Å
36D81.5Confident84.1Confident141 Ų14160.3 Ų60.375%0.75430%0.301SS*.THydrogen-bonded Turntrans59.25.2-176.3-56.5-39.8000116.8R34R34-D36 VanDerWaalsContact C-N 3.25Å; R34-D36 PolarHBondContact O-N 3.23Å
37E86.4Confident83.7Confident65 Ų6563 Ų6330%0.30430%0.302SS..EExtended strand (participates in β ladder)trans-93.4144.7172.3-63.4-179.9139.400111.6V33 R34 T35 Y39V33-E37 WeakPolarHBondContact CA-O 3.43Å; R34-E37 PolarHBondContact N-O 3.44Å; R34-E37 WeakPolarHBondContact O-CB 3.28Å; R34-E37 PolarHBondContact O-N 2.8Å; T35-E37 PolarHBondContact O-N 3.44Å; E37-Y39 HydrophobicContact CB-CD2 4.35Å; E37-Y39 HydrophobicContact CB-CE2 3.55Å; E37-Y39 PolarHBondContact OE2-OH 3.18Å
38L88Confident83.6Confident15 Ų1565.5 Ų65.58%0.07931%0.313CS..EExtended strand (participates in β ladder)trans-102.7129.1-178.8-76.8159.6000111.5V8 W13 L18 C20 M21 L27 C31 V33V8-L38 HydrophobicContact CG1-CD2 4.27Å; W13-L38 HydrophobicContact CD2-CD1 4.34Å; W13-L38 HydrophobicContact CE3-CD1 4.41Å; W13-L38 HydrophobicContact CH2-CD1 3.81Å; W13-L38 HydrophobicContact CZ2-CD1 3.7Å; W13-L38 HydrophobicContact CZ3-CD1 4.17Å; L18-L38 HydrophobicContact CD1-CD1 3.45Å; L18-L38 VanDerWaalsContact CD1-CD1 3.45Å; L18-L38 HydrophobicContact CD1-CD2 4.21Å; L18-L38 HydrophobicContact CD1-CG 4.47Å; C20-L38 CarbonylContact C-O 3.57Å; C20-L38 WeakPolarHBondContact CA-O 3.39Å; M21-L38 WeakPolarHBondContact CB-O 3.35Å; M21-L38 PolarHBondContact N-O 3.3Å; L27-L38 HydrophobicContact CD1-CB 4.13Å; L27-L38 HydrophobicContact CD1-CD2 4.49Å; C31-L38 HydrophobicContact CB-CD2 3.89Å; V33-L38 HydrophobicContact CG2-CD2 3.76Å
39Y88.3Confident83.8Confident0 Ų062.4 Ų62.40%029%0.294CS..EExtended strand (participates in β ladder)trans-124.3145.7-179.8-64.5-86.4000112M21 F32 E37 D43 F44 R47 F48M21-Y39 HydrophobicContact CB-CE1 4.25Å; F32-Y39 PolarHBondContact N-O 2.9Å; F32-Y39 PolarHBondContact O-N 3.08Å; E37-Y39 HydrophobicContact CB-CD2 4.35Å; E37-Y39 HydrophobicContact CB-CE2 3.55Å; E37-Y39 PolarHBondContact OE2-OH 3.18Å; Y39-D43 HydrophobicContact CD1-CB 4.33Å; Y39-F44 HydrophobicContact CD2-CD2 4.41Å; Y39-F44 HydrophobicContact CG-CD2 4.48Å; Y39-R47 VanDerWaalsContact CE1-CD 3.49Å; Y39-R47 PolarHBondContact OH-NH1 3.05Å; Y39-F48 HydrophobicContact CD2-CE2 4.05Å; Y39-F48 HydrophobicContact CE1-CE2 4.17Å; Y39-F48 AromaticContact CE2-CE2 3.66Å; Y39-F48 HydrophobicContact CE2-CE2 3.66Å; Y39-F48 HydrophobicContact CE2-CZ 4.14Å; Y39-F48 HydrophobicContact CG-CE2 4.45Å; Y39-F48 AromaticContact CZ-CE2 3.72Å; Y39-F48 AromaticContact CZ-CZ 3.98Å
40C87.2Confident84.4Confident10 Ų1058 Ų587%0.06828%0.278CS..  trans-72.3168.1162.278.40000109.6C20 L27 E42 D43 F44C20-C40 HydrophobicContact CB-CB 4.05Å; C20-C40 PolarHBondContact SG-N 3.11Å; L27-C40 HydrophobicContact CD2-CB 3.64Å; C40-E42 VanDerWaalsContact C-N 3.31Å; C40-E42 PolarHBondContact O-N 3.43Å; C40-E42 PolarHBondContact SG-OE2 3.31Å; C40-D43 PolarHBondContact SG-N 3.09Å; C40-D43 VanDerWaalsContact SG-N 3.37Å; C40-F44 WeakPolarHBondContact O-CB 3.48Å; C40-F44 PolarHBondContact O-N 3.19Å
41K82.1Confident84.9Confident95 Ų9556.9 Ų56.941%0.41327%0.273SS..Hα-helixtrans-56.6-47.6-178-171.9-174.6179.8-174.90111.3F32 F44 F45F32-K41 HydrophobicContact CD2-CB 4.44Å; F32-K41 HydrophobicContact CE2-CB 3.73Å; F32-K41 HydrophobicContact CE2-CG 3.89Å; F32-K41 HydrophobicContact CZ-CB 4.46Å; F32-K41 HydrophobicContact CZ-CG 4.12Å; K41-F44 PolarHBondContact O-N 2.7Å; K41-F45 HydrophobicContact CG-CD2 3.83Å; K41-F45 HydrophobicContact CG-CE2 3.68Å; K41-F45 WeakPolarHBondContact O-CD2 3.33Å; K41-F45 PolarHBondContact O-N 3.32Å
42E82.6Confident85.3Confident127 Ų12756.9 Ų56.959%0.59327%0.273SS*.Hα-helixtrans-65.9-49.5-174.2-5965.6-141.200111.1C40 F45 R46C40-E42 VanDerWaalsContact C-N 3.31Å; C40-E42 PolarHBondContact O-N 3.43Å; C40-E42 PolarHBondContact SG-OE2 3.31Å; E42-F45 PolarHBondContact O-N 3.05Å; E42-R46 WeakPolarHBondContact O-CB 3.36Å; E42-R46 PolarHBondContact O-N 3.34Å
43D86.2Confident85.7Confident5 Ų556.7 Ų56.73%0.02728%0.275CS..Hα-helixtrans-68.5-36.4-179.5-68-15.6000111.5C20 D22 C23 Y39 C40 R46 R47C20-D43 PolarHBondContact SG-OD2 3.48Å; D22-D43 HydrophobicContact CB-CB 3.81Å; D22-D43 WeakPolarHBondContact CB-OD2 3.48Å; C23-D43 WeakPolarHBondContact CB-OD2 3.47Å; C23-D43 PolarHBondContact N-OD2 2.98Å; C23-D43 PolarHBondContact SG-OD2 3.27Å; Y39-D43 HydrophobicContact CD1-CB 4.33Å; C40-D43 PolarHBondContact SG-N 3.09Å; C40-D43 VanDerWaalsContact SG-N 3.37Å; D43-R46 PolarHBondContact O-N 3.21Å; D43-R46 IonicContact OD1-CZ 2.72Å; D43-R46 IonicContact OD1-NH1 2.94Å; D43-R46 PolarHBondContact OD1-NH1 3.37Å; D43-R46 IonicContact OD1-NH2 2.86Å; D43-R46 PolarHBondContact OD1-NH2 3.24Å; D43-R46 IonicContact OD2-NH2 3.8Å; D43-R47 WeakPolarHBondContact O-CB 3.35Å; D43-R47 PolarHBondContact O-N 3.24Å
44F85.6Confident86.1Confident9 Ų957.9 Ų57.94%0.03929%0.291CS..Hα-helixtrans-60.9-53.6174.7-175.7-95000111.5F32 R34 Y39 C40 K41 R46 R47 F48 S414F32-F44 HydrophobicContact CB-CB 3.76Å; F32-F44 HydrophobicContact CB-CD1 4.17Å; F32-F44 HydrophobicContact CB-CD2 3.48Å; F32-F44 VanDerWaalsContact CB-CD2 3.48Å; F32-F44 HydrophobicContact CB-CE2 4.21Å; F32-F44 HydrophobicContact CB-CG 3.49Å; F32-F44 VanDerWaalsContact CB-CG 3.49Å; F32-F44 HydrophobicContact CD1-CB 4.37Å; F32-F44 AromaticContact CD1-CD1 3.58Å; F32-F44 HydrophobicContact CD1-CD1 3.58Å; F32-F44 HydrophobicContact CD1-CD2 4.38Å; F32-F44 HydrophobicContact CD1-CE1 4.04Å; F32-F44 AromaticContact CD1-CG 3.81Å; F32-F44 HydrophobicContact CD1-CG 3.81Å; F32-F44 HydrophobicContact CD2-CB 4.22Å; F32-F44 HydrophobicContact CD2-CG 4.49Å; F32-F44 HydrophobicContact CE1-CD1 4.2Å; F32-F44 HydrophobicContact CG-CB 3.85Å; F32-F44 AromaticContact CG-CD1 3.94Å; F32-F44 HydrophobicContact CG-CD1 3.94Å; F32-F44 HydrophobicContact CG-CD2 4.17Å; F32-F44 AromaticContact CG-CG 3.68Å; F32-F44 HydrophobicContact CG-CG 3.68Å; R34-F44 HydrophobicContact CB-CE2 4.14Å; Y39-F44 HydrophobicContact CD2-CD2 4.41Å; Y39-F44 HydrophobicContact CG-CD2 4.48Å; C40-F44 WeakPolarHBondContact O-CB 3.48Å; C40-F44 PolarHBondContact O-N 3.19Å; K41-F44 PolarHBondContact O-N 2.7Å; F44-R46 VanDerWaalsContact C-N 3.32Å; F44-R46 PolarHBondContact O-N 3.05Å; F44-R47 PolarHBondContact O-N 3.38Å; F44-F48 AromaticContact CD2-CD2 3.56Å; F44-F48 HydrophobicContact CD2-CD2 3.56Å; F44-F48 HydrophobicContact CD2-CE2 4.19Å; F44-F48 HydrophobicContact CE1-CB 4.39Å; F44-F48 HydrophobicContact CE2-CB 4.15Å; F44-F48 AromaticContact CE2-CD2 3.49Å; F44-F48 HydrophobicContact CE2-CD2 3.49Å; F44-F48 VanDerWaalsContact CE2-CD2 3.49Å; F44-F48 HydrophobicContact CE2-CE2 4.25Å; F44-F48 HydrophobicContact CE2-CG 4.15Å; F44-F48 HydrophobicContact CG-CD2 4.3Å; F44-F48 HydrophobicContact CZ-CB 3.97Å; F44-F48 HydrophobicContact CZ-CD2 4.19Å; F44-F48 HydrophobicContact CZ-CG 4.45Å; F44-F48 WeakPolarHBondContact O-CB 3.41Å; F44-F48 PolarHBondContact O-N 2.6Å; F44-S414 VanDerWaalsContact CZ-CB 3.43Å; F44-S414 WeakPolarHBondContact CZ-OG 3.49Å
45F82Confident86.6Confident39 Ų3956.9 Ų56.917%0.17129%0.293CS..Hα-helixtrans-67.2-32.1177.4-71.5-64.2000112.4F32 K41 E42 G49 P61F32-F45 HydrophobicContact CE1-CE2 4.34Å; F32-F45 HydrophobicContact CE1-CZ 4.3Å; F32-F45 HydrophobicContact CZ-CE2 4.14Å; F32-F45 HydrophobicContact CZ-CZ 4.49Å; K41-F45 HydrophobicContact CG-CD2 3.83Å; K41-F45 HydrophobicContact CG-CE2 3.68Å; K41-F45 WeakPolarHBondContact O-CD2 3.33Å; K41-F45 PolarHBondContact O-N 3.32Å; E42-F45 PolarHBondContact O-N 3.05Å; F45-G49 VanDerWaalsContact O-CA 3.28Å; F45-G49 WeakPolarHBondContact O-CA 3.45Å; F45-G49 PolarHBondContact O-N 3.01Å; F45-P61 HydrophobicContact CE1-CG 4.08Å; F45-P61 HydrophobicContact CE2-CG 4.11Å; F45-P61 HydrophobicContact CZ-CG 3.71Å
46R82.6Confident86.9Confident125 Ų12556.2 Ų56.247%0.47229%0.285SS..Hα-helixtrans-62.6-43.9173.6-176.1-178.468.4-133.8-5.3112.2D22 E42 D43 F44 K51D22-R46 IonicContact OD2-CZ 2.72Å; D22-R46 IonicContact OD2-NH2 3.39Å; D22-R46 PolarHBondContact OD2-NH2 3.38Å; E42-R46 WeakPolarHBondContact O-CB 3.36Å; E42-R46 PolarHBondContact O-N 3.34Å; D43-R46 PolarHBondContact O-N 3.21Å; D43-R46 IonicContact OD1-CZ 2.72Å; D43-R46 IonicContact OD1-NH1 2.94Å; D43-R46 PolarHBondContact OD1-NH1 3.37Å; D43-R46 IonicContact OD1-NH2 2.86Å; D43-R46 PolarHBondContact OD1-NH2 3.24Å; D43-R46 IonicContact OD2-NH2 3.8Å; F44-R46 VanDerWaalsContact C-N 3.32Å; F44-R46 PolarHBondContact O-N 3.05Å; R46-K51 PolarHBondContact O-NZ 2.83Å
47R82.6Confident87.2Confident113 Ų11356.5 Ų56.543%0.42628%0.28SS..Hα-helixtrans-77.1-48.5178.9-78.8-170.3171.7-141.8-8.2112.5D22 Y39 D43 F44D22-R47 IonicContact OD1-CZ 3.77Å; D22-R47 IonicContact OD1-NE 2.64Å; D22-R47 PolarHBondContact OD1-NE 3.39Å; D22-R47 IonicContact OD1-NH2 3.91Å; D22-R47 PolarHBondContact OD1-NH2 3.34Å; D22-R47 IonicContact OD2-CZ 3.24Å; D22-R47 IonicContact OD2-NE 3.04Å; D22-R47 PolarHBondContact OD2-NE 3.32Å; D22-R47 IonicContact OD2-NH2 3.6Å; Y39-R47 VanDerWaalsContact CE1-CD 3.49Å; Y39-R47 PolarHBondContact OH-NH1 3.05Å; D43-R47 WeakPolarHBondContact O-CB 3.35Å; D43-R47 PolarHBondContact O-N 3.24Å; F44-R47 PolarHBondContact O-N 3.38Å
48F84.4Confident87.1Confident62 Ų6254.6 Ų54.627%0.27228%0.278SS..Hα-helixtrans-121-8-160.5-52.5-62.6000115Y39 F44Y39-F48 HydrophobicContact CD2-CE2 4.05Å; Y39-F48 HydrophobicContact CE1-CE2 4.17Å; Y39-F48 AromaticContact CE2-CE2 3.66Å; Y39-F48 HydrophobicContact CE2-CE2 3.66Å; Y39-F48 HydrophobicContact CE2-CZ 4.14Å; Y39-F48 HydrophobicContact CG-CE2 4.45Å; Y39-F48 AromaticContact CZ-CE2 3.72Å; Y39-F48 AromaticContact CZ-CZ 3.98Å; F44-F48 AromaticContact CD2-CD2 3.56Å; F44-F48 HydrophobicContact CD2-CD2 3.56Å; F44-F48 HydrophobicContact CD2-CE2 4.19Å; F44-F48 HydrophobicContact CE1-CB 4.39Å; F44-F48 HydrophobicContact CE2-CB 4.15Å; F44-F48 AromaticContact CE2-CD2 3.49Å; F44-F48 HydrophobicContact CE2-CD2 3.49Å; F44-F48 VanDerWaalsContact CE2-CD2 3.49Å; F44-F48 HydrophobicContact CE2-CE2 4.25Å; F44-F48 HydrophobicContact CE2-CG 4.15Å; F44-F48 HydrophobicContact CG-CD2 4.3Å; F44-F48 HydrophobicContact CZ-CB 3.97Å; F44-F48 HydrophobicContact CZ-CD2 4.19Å; F44-F48 HydrophobicContact CZ-CG 4.45Å; F44-F48 WeakPolarHBondContact O-CB 3.41Å; F44-F48 PolarHBondContact O-N 2.6Å
49G84.1Confident87.1Confident18 Ų1854 Ų5419%0.18628%0.275CS..SBendtrans-77.2168.8175.100000113F45 K51F45-G49 VanDerWaalsContact O-CA 3.28Å; F45-G49 WeakPolarHBondContact O-CA 3.45Å; F45-G49 PolarHBondContact O-N 3.01Å; G49-K51 PolarHBondContact O-N 3.42Å
50T87.9Confident86.7Confident62 Ų6256.9 Ų56.938%0.3829%0.293SS..  trans-53.7134.7171.1-52.90000110.2G58 I59 V72 L394T50-G58 WeakPolarHBondContact O-CA 3.39Å; T50-I59 HydrophobicContact CG2-CD1 4.28Å; T50-I59 PolarHBondContact O-N 2.84Å; T50-V72 HydrophobicContact CG2-CB 3.89Å; T50-V72 HydrophobicContact CG2-CG1 4.27Å; T50-V72 HydrophobicContact CG2-CG2 3.8Å; T50-L394 HydrophobicContact CG2-CD1 4.47Å
51K90.2Very high86.2Confident95 Ų9556.9 Ų56.941%0.41329%0.293SS..BIsolated β-bridgetrans-106.6140.4179-64178.6-176.8-64.70110.4R46 G49 A53 K57R46-K51 PolarHBondContact O-NZ 2.83Å; G49-K51 PolarHBondContact O-N 3.42Å; K51-A53 PolarHBondContact O-N 3.35Å; K51-K57 WeakPolarHBondContact CA-O 3.35Å
52C93.3Very high86Confident0 Ų059.3 Ų59.30%031%0.308CS..  trans-70.2114.9173.9168.50000110.2G54 C55 D56 K57 I59 V72 H74 C77C52-G54 PolarHBondContact O-N 3.1Å; C52-C55 PolarHBondContact O-N 3.06Å; C52-D56 WeakPolarHBondContact O-CA 3.5Å; C52-D56 PolarHBondContact O-N 2.73Å; C52-K57 PolarHBondContact N-O 2.75Å; C52-I59 HydrophobicContact CB-CD1 4Å; C52-I59 HydrophobicContact CB-CG1 3.98Å; C52-V72 CarbonylContact C-O 2.98Å; C52-V72 WeakPolarHBondContact CA-O 3.43Å; C52-H74 WeakPolarHBondContact CB-CE1 3.4Å; C52-H74 WeakPolarHBondContact CB-ND1 3.08Å; C52-H74 PolarHBondContact SG-N 3.22Å; C52-H74 VanDerWaalsContact SG-N 3.43Å; C52-H74 PolarHBondContact SG-ND1 3.03Å; C52-C77 WeakPolarHBondContact SG-CB 3.19Å; C52-C77 VanDerWaalsContact SG-SG 3.68Å
53A93Very high86.1Confident13 Ų1356.7 Ų56.711%0.10730%0.295CS..THydrogen-bonded Turntrans-60.4-20.9-176.600000114.3K51 N71 V72 Y73 R99K51-A53 PolarHBondContact O-N 3.35Å; A53-N71 HydrophobicContact CB-CB 3.9Å; A53-V72 PolarHBondContact N-O 3.27Å; A53-Y73 HydrophobicContact CB-CD1 4.2Å; A53-Y73 HydrophobicContact CB-CE1 3.69Å; A53-Y73 HydrophobicContact CB-CE2 4.4Å; A53-R99 HydrophobicContact CB-CB 3.99Å
54G92.3Very high86.2Confident46 Ų4658.7 Ų58.747%0.47431%0.308SS..THydrogen-bonded Turntrans-89.1-11.1176.700000116C52C52-G54 PolarHBondContact O-N 3.1Å
55C93.1Very high86.4Confident42 Ų4258.3 Ų58.328%0.28431%0.306SS..THydrogen-bonded Turntrans-150.25.6-179.879.90000115.8C52 K57 H74 C77C52-C55 PolarHBondContact O-N 3.06Å; C55-K57 PolarHBondContact O-N 2.85Å; C55-H74 PolarHBondContact SG-CE1 2.86Å; C55-H74 PolarHBondContact SG-ND1 2.99Å; C55-C77 VanDerWaalsContact SG-SG 3.66Å
56D90.6Very high86.8Confident98 Ų9857.4 Ų57.452%0.52430%0.301SS..  trans55.36.2177.5-56.1-51.7000117.3C52 R99C52-D56 WeakPolarHBondContact O-CA 3.5Å; C52-D56 PolarHBondContact O-N 2.73Å; D56-R99 IonicContact OD1-NH2 2.65Å
57K88Confident87.1Confident148 Ų14853.1 Ų53.164%0.64329%0.289SS*.PPolyproline II helixtrans-74.7147.6171.6-61.8173.6-173.4174.70110.3K51 C52 C55K51-K57 WeakPolarHBondContact CA-O 3.35Å; C52-K57 PolarHBondContact N-O 2.75Å; C55-K57 PolarHBondContact O-N 2.85Å
58G86Confident87.4Confident25 Ų2547.9 Ų47.926%0.25827%0.27SS..BIsolated β-bridgetrans-71.3137175.800000111.7T50T50-G58 WeakPolarHBondContact O-CA 3.39Å
59I86.7Confident87.4Confident3 Ų349 Ų492%0.01528%0.276CS..PPolyproline II helixtrans-93.3126.6179.7-49.3-176.4000109T50 C52 E63 V65 V72 L394T50-I59 HydrophobicContact CG2-CD1 4.28Å; T50-I59 PolarHBondContact O-N 2.84Å; C52-I59 HydrophobicContact CB-CD1 4Å; C52-I59 HydrophobicContact CB-CG1 3.98Å; I59-E63 HydrophobicContact CG2-CB 4.1Å; I59-V65 HydrophobicContact CD1-CG1 3.83Å; I59-V65 HydrophobicContact CG2-CG1 3.5Å; I59-V65 VanDerWaalsContact CG2-CG1 3.5Å; I59-V72 HydrophobicContact CD1-CB 4.06Å; I59-V72 HydrophobicContact CD1-CG1 3.54Å; I59-L394 HydrophobicContact CG2-CD1 4.14Å
60P80.7Confident87.6Confident59 Ų5956.7 Ų56.738%0.38331%0.307SS..PPolyproline II helixtrans-63.6145.2170.3-17.630.7000112M62 E63P60-M62 VanDerWaalsContact C-N 3.26Å; P60-M62 PolarHBondContact O-N 3.44Å; P60-E63 HydrophobicContact CB-CB 4.29Å; P60-E63 WeakPolarHBondContact CD-OE2 3.42Å; P60-E63 HydrophobicContact CG-CB 4.35Å; P60-E63 WeakPolarHBondContact O-CB 3.37Å; P60-E63 PolarHBondContact O-N 2.9Å
61P77.4Confident87.7Confident11 Ų1155.4 Ų55.47%0.07130%0.298CS..THydrogen-bonded Turntrans-60.2-34179.722.7-33.6000113.4F45 E63 L394F45-P61 HydrophobicContact CE1-CG 4.08Å; F45-P61 HydrophobicContact CE2-CG 4.11Å; F45-P61 HydrophobicContact CZ-CG 3.71Å; P61-E63 VanDerWaalsContact C-N 3.26Å; P61-E63 PolarHBondContact O-N 3.05Å; P61-L394 CarbonylContact C-O 3.58Å; P61-L394 VanDerWaalsContact C-O 3.29Å; P61-L394 VanDerWaalsContact CA-O 3.23Å; P61-L394 WeakPolarHBondContact CA-O 3.44Å; P61-L394 WeakPolarHBondContact CB-O 3.42Å; P61-L394 CarbonylContact O-C 3.58Å; P61-L394 VanDerWaalsContact O-CA 3.24Å; P61-L394 WeakPolarHBondContact O-CA 3.41Å; P61-L394 VanDerWaalsContact O-CB 3.29Å; P61-L394 WeakPolarHBondContact O-CB 3.32Å; P61-L394 PolarHBondContact O-N 3.36Å; P61-L394 VanDerWaalsContact O-N 3.16Å
62M76Confident87.8Confident146 Ų14652 Ų5272%0.71929%0.285SS*.THydrogen-bonded Turntrans-80.2-4179.3-60.3-177.872.600113.9P60P60-M62 VanDerWaalsContact C-N 3.26Å; P60-M62 PolarHBondContact O-N 3.44Å
63E84.8Confident87.8Confident71 Ų7152.1 Ų52.133%0.33229%0.286SS..SBendtrans-79.9140.5-179.7-164.2172.2145.900111.1I59 P60 P61 H74I59-E63 HydrophobicContact CG2-CB 4.1Å; P60-E63 HydrophobicContact CB-CB 4.29Å; P60-E63 WeakPolarHBondContact CD-OE2 3.42Å; P60-E63 HydrophobicContact CG-CB 4.35Å; P60-E63 WeakPolarHBondContact O-CB 3.37Å; P60-E63 PolarHBondContact O-N 2.9Å; P61-E63 VanDerWaalsContact C-N 3.26Å; P61-E63 PolarHBondContact O-N 3.05Å; E63-H74 IonicContact OE1-CD2 2.7Å; E63-H74 PolarHBondContact OE1-CD2 3.41Å; E63-H74 IonicContact OE1-CG 3.72Å
64V88.4Confident87.8Confident48 Ų4852.5 Ų52.529%0.29129%0.285SS..EExtended strand (participates in β ladder)trans-76.7125.7173.9176.60000108.8L75 I391 I393V64-L75 HydrophobicContact CB-CD1 4.03Å; V64-L75 HydrophobicContact CG1-CD1 3.96Å; V64-L75 HydrophobicContact CG1-CD2 4.3Å; V64-L75 HydrophobicContact CG1-CG 4.34Å; V64-I391 HydrophobicContact CG1-CG2 3.46Å; V64-I391 VanDerWaalsContact CG1-CG2 3.46Å; V64-I393 HydrophobicContact CG2-CG1 4.25Å
65V91Very high87.7Confident0 Ų053.5 Ų53.50%028%0.279CS..EExtended strand (participates in β ladder)trans-118161.1-178-67.40000112.6I59 V72 Y73 S392 L394I59-V65 HydrophobicContact CD1-CG1 3.83Å; I59-V65 HydrophobicContact CG2-CG1 3.5Å; I59-V65 VanDerWaalsContact CG2-CG1 3.5Å; V65-V72 HydrophobicContact CB-CG1 3.59Å; V65-V72 HydrophobicContact CG1-CG1 3.74Å; V65-V72 HydrophobicContact CG2-CG1 3.69Å; V65-Y73 WeakPolarHBondContact CA-O 3.36Å; V65-Y73 WeakPolarHBondContact CB-O 3.38Å; V65-S392 WeakPolarHBondContact CG2-O 3.47Å; V65-S392 WeakPolarHBondContact CG2-OG 3.48Å; V65-S392 PolarHBondContact N-O 3.49Å; V65-S392 PolarHBondContact O-N 3.32Å; V65-L394 HydrophobicContact CG1-CD1 4.2Å; V65-L394 HydrophobicContact CG2-CD1 4.33Å; V65-L394 HydrophobicContact CG2-CG 4.26Å
66R90Very high87.8Confident20 Ų2056.9 Ų56.98%0.07530%0.295CS..EExtended strand (participates in β ladder)trans-107.7143.9162.2-71.3179-175.6-75.15.6109.7Y73 L75 F78 L87 N88 T89R66-Y73 PolarHBondContact N-O 3.33Å; R66-Y73 PolarHBondContact O-N 2.84Å; R66-L75 HydrophobicContact CG-CD2 4Å; R66-F78 HydrophobicContact CB-CB 4.14Å; R66-F78 HydrophobicContact CB-CD1 4.36Å; R66-F78 HydrophobicContact CB-CD2 3.53Å; R66-F78 HydrophobicContact CB-CE2 4Å; R66-F78 HydrophobicContact CB-CG 3.74Å; R66-F78 HydrophobicContact CG-CB 4.4Å; R66-F78 HydrophobicContact CG-CD1 4.48Å; R66-F78 HydrophobicContact CG-CD2 4.45Å; R66-F78 HydrophobicContact CG-CG 4.19Å; R66-L87 PolarHBondContact NE-O 3.45Å; R66-N88 PolarHBondContact NH2-OD1 2.97Å; R66-T89 PolarHBondContact NH1-OG1 3.24Å
67T89Confident88Confident36 Ų3653.8 Ų53.822%0.22128%0.28CS..EExtended strand (participates in β ladder)trans-117.3144.8177.7550000110.9N71 V72T67-N71 CarbonylContact C-O 3.57Å; T67-N71 VanDerWaalsContact CA-O 3.31Å; T67-N71 WeakPolarHBondContact CA-O 3.44Å; T67-V72 HydrophobicContact CG2-CG1 4.36Å; T67-V72 HydrophobicContact CG2-CG2 4.25Å
68A88Confident88.3Confident2 Ų246.7 Ų46.72%0.01725%0.249CC..EExtended strand (participates in β ladder)trans-142.2115.2170.400000109.2E70 N71 Y73 F78 F93 L95 L101A68-E70 PolarHBondContact O-N 2.84Å; A68-N71 PolarHBondContact N-O 3.45Å; A68-N71 WeakPolarHBondContact O-CB 3.38Å; A68-N71 PolarHBondContact O-N 3.2Å; A68-Y73 HydrophobicContact CB-CE2 4.07Å; A68-F78 HydrophobicContact CB-CE2 4.03Å; A68-F78 HydrophobicContact CB-CZ 4.41Å; A68-F93 HydrophobicContact CB-CE2 3.8Å; A68-F93 HydrophobicContact CB-CZ 3.77Å; A68-L95 HydrophobicContact CB-CD2 4.5Å; A68-L101 HydrophobicContact CB-CD2 4.34Å
69Q86.1Confident88.8Confident87 Ų8747 Ų4741%0.40725%0.248SC..THydrogen-bonded Turntrans51-125.4-166-55.8174.96.700110N71 L95 I382 H385Q69-N71 VanDerWaalsContact C-N 3.32Å; Q69-L95 HydrophobicContact CB-CD2 4.24Å; Q69-L95 HydrophobicContact CG-CD2 4.01Å; Q69-I382 PolarHBondContact NE2-O 2.87Å; Q69-H385 VanDerWaalsContact CG-CE1 3.46Å; Q69-H385 WeakPolarHBondContact CG-CE1 3.37Å
70E86.8Confident89.2Confident179 Ų17947 Ų4784%0.83625%0.247SC*.THydrogen-bonded Turntrans-83.4-3.5179.4-59.2177.2174.900113.6A68A68-E70 PolarHBondContact O-N 2.84Å
71N90.8Very high89.9Confident34 Ų3447.9 Ų47.918%0.18225%0.252CS..EExtended strand (participates in β ladder)trans-97.9141-172.3-62.4-77.8000112.3A53 T67 A68 Q69 Y73 R99A53-N71 HydrophobicContact CB-CB 3.9Å; T67-N71 CarbonylContact C-O 3.57Å; T67-N71 VanDerWaalsContact CA-O 3.31Å; T67-N71 WeakPolarHBondContact CA-O 3.44Å; A68-N71 PolarHBondContact N-O 3.45Å; A68-N71 WeakPolarHBondContact O-CB 3.38Å; A68-N71 PolarHBondContact O-N 3.2Å; Q69-N71 VanDerWaalsContact C-N 3.32Å; N71-Y73 HydrophobicContact CB-CD2 4.5Å; N71-Y73 HydrophobicContact CB-CE2 3.52Å; N71-Y73 WeakPolarHBondContact CB-OH 3.48Å; N71-R99 WeakPolarHBondContact OD1-CD 3.32Å; N71-R99 WeakPolarHBondContact OD1-CG 3.37Å
72V91.8Very high90.7Very high25 Ų2550.6 Ų50.615%0.15227%0.271CS..EExtended strand (participates in β ladder)trans-113.2142.1177-166.90000109.8T50 C52 A53 I59 V65 T67T50-V72 HydrophobicContact CG2-CB 3.89Å; T50-V72 HydrophobicContact CG2-CG1 4.27Å; T50-V72 HydrophobicContact CG2-CG2 3.8Å; C52-V72 CarbonylContact C-O 2.98Å; C52-V72 WeakPolarHBondContact CA-O 3.43Å; A53-V72 PolarHBondContact N-O 3.27Å; I59-V72 HydrophobicContact CD1-CB 4.06Å; I59-V72 HydrophobicContact CD1-CG1 3.54Å; V65-V72 HydrophobicContact CB-CG1 3.59Å; V65-V72 HydrophobicContact CG1-CG1 3.74Å; V65-V72 HydrophobicContact CG2-CG1 3.69Å; T67-V72 HydrophobicContact CG2-CG1 4.36Å; T67-V72 HydrophobicContact CG2-CG2 4.25Å
73Y93.3Very high91.7Very high1 Ų146.5 Ų46.50%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-136.8146.7-178.2-53.9-102.4000110.6A53 V65 R66 A68 N71 F78 L95 R99 L101A53-Y73 HydrophobicContact CB-CD1 4.2Å; A53-Y73 HydrophobicContact CB-CE1 3.69Å; A53-Y73 HydrophobicContact CB-CE2 4.4Å; V65-Y73 WeakPolarHBondContact CA-O 3.36Å; V65-Y73 WeakPolarHBondContact CB-O 3.38Å; R66-Y73 PolarHBondContact N-O 3.33Å; R66-Y73 PolarHBondContact O-N 2.84Å; A68-Y73 HydrophobicContact CB-CE2 4.07Å; N71-Y73 HydrophobicContact CB-CD2 4.5Å; N71-Y73 HydrophobicContact CB-CE2 3.52Å; N71-Y73 WeakPolarHBondContact CB-OH 3.48Å; Y73-F78 AromaticContact CD2-CD2 3.71Å; Y73-F78 HydrophobicContact CD2-CD2 3.71Å; Y73-F78 AromaticContact CD2-CE2 3.96Å; Y73-F78 HydrophobicContact CD2-CE2 3.96Å; Y73-F78 HydrophobicContact CE2-CD2 4.4Å; Y73-F78 HydrophobicContact CE2-CE2 4.3Å; Y73-F78 AromaticContact CG-CD2 3.82Å; Y73-F78 HydrophobicContact CG-CD2 3.82Å; Y73-F78 HydrophobicContact CG-CE2 4.49Å; Y73-L95 WeakPolarHBondContact OH-CD1 3.43Å; Y73-R99 PolarHBondContact OH-O 3.48Å; Y73-R99 VanDerWaalsContact OH-O 3.1Å; Y73-L101 HydrophobicContact CD1-CD1 4.07Å; Y73-L101 HydrophobicContact CE1-CD1 3.94Å; Y73-L101 HydrophobicContact CE1-CG 4.23Å; Y73-L101 HydrophobicContact CG-CD1 4.43Å
74H92.6Very high92.2Very high22 Ų2246.9 Ų46.910%0.10227%0.271CS..EExtended strand (participates in β ladder)trans-60.1154.6160.6-49117.2000109.8C52 C55 E63 D76 C77 F78C52-H74 WeakPolarHBondContact CB-CE1 3.4Å; C52-H74 WeakPolarHBondContact CB-ND1 3.08Å; C52-H74 PolarHBondContact SG-N 3.22Å; C52-H74 VanDerWaalsContact SG-N 3.43Å; C52-H74 PolarHBondContact SG-ND1 3.03Å; C55-H74 PolarHBondContact SG-CE1 2.86Å; C55-H74 PolarHBondContact SG-ND1 2.99Å; E63-H74 IonicContact OE1-CD2 2.7Å; E63-H74 PolarHBondContact OE1-CD2 3.41Å; E63-H74 IonicContact OE1-CG 3.72Å; H74-D76 VanDerWaalsContact C-N 3.27Å; H74-D76 PolarHBondContact O-N 3.09Å; H74-C77 HydrophobicContact CB-CB 4.13Å; H74-C77 PolarHBondContact ND1-SG 3.42Å; H74-C77 VanDerWaalsContact ND1-SG 3.38Å; H74-C77 PolarHBondContact O-N 3.4Å; H74-C77 VanDerWaalsContact O-N 3.09Å; H74-F78 PolarHBondContact O-N 3.09Å
75L91.3Very high92.6Very high66 Ų6649.5 Ų49.535%0.34628%0.276SS..THydrogen-bonded Turntrans-51.7-45.9174.6-72.3165.5000112.1V64 R66 C77 F78V64-L75 HydrophobicContact CB-CD1 4.03Å; V64-L75 HydrophobicContact CG1-CD1 3.96Å; V64-L75 HydrophobicContact CG1-CD2 4.3Å; V64-L75 HydrophobicContact CG1-CG 4.34Å; R66-L75 HydrophobicContact CG-CD2 4Å; L75-C77 PolarHBondContact O-N 2.75Å; L75-F78 PolarHBondContact O-N 3.41Å
76D94Very high92.7Very high114 Ų11454 Ų5461%0.6130%0.298SS*.THydrogen-bonded Turntrans-72.3-26.9-179.1-60.5-34000113.6H74 F78 M86H74-D76 VanDerWaalsContact C-N 3.27Å; H74-D76 PolarHBondContact O-N 3.09Å; D76-F78 VanDerWaalsContact C-N 3.3Å; D76-M86 HydrophobicContact CB-CE 4.12Å; D76-M86 WeakPolarHBondContact OD1-CE 3.33Å
77C95.2Very high92.9Very high32 Ų3253.1 Ų53.122%0.21630%0.295CS..THydrogen-bonded Turntrans-81.6-10.2177.6-64.90000112.9C52 C55 H74 L75 S79C52-C77 WeakPolarHBondContact SG-CB 3.19Å; C52-C77 VanDerWaalsContact SG-SG 3.68Å; C55-C77 VanDerWaalsContact SG-SG 3.66Å; H74-C77 HydrophobicContact CB-CB 4.13Å; H74-C77 PolarHBondContact ND1-SG 3.42Å; H74-C77 VanDerWaalsContact ND1-SG 3.38Å; H74-C77 PolarHBondContact O-N 3.4Å; H74-C77 VanDerWaalsContact O-N 3.09Å; L75-C77 PolarHBondContact O-N 2.75Å; C77-S79 PolarHBondContact O-N 3.16Å
78F94.6Very high92.9Very high0 Ų055.7 Ų55.70%031%0.307CS..  trans-86.164.4179-158.3-90.1000110.5R66 A68 Y73 H74 L75 D76 L87 F93 L101 I387R66-F78 HydrophobicContact CB-CB 4.14Å; R66-F78 HydrophobicContact CB-CD1 4.36Å; R66-F78 HydrophobicContact CB-CD2 3.53Å; R66-F78 HydrophobicContact CB-CE2 4Å; R66-F78 HydrophobicContact CB-CG 3.74Å; R66-F78 HydrophobicContact CG-CB 4.4Å; R66-F78 HydrophobicContact CG-CD1 4.48Å; R66-F78 HydrophobicContact CG-CD2 4.45Å; R66-F78 HydrophobicContact CG-CG 4.19Å; A68-F78 HydrophobicContact CB-CE2 4.03Å; A68-F78 HydrophobicContact CB-CZ 4.41Å; Y73-F78 AromaticContact CD2-CD2 3.71Å; Y73-F78 HydrophobicContact CD2-CD2 3.71Å; Y73-F78 AromaticContact CD2-CE2 3.96Å; Y73-F78 HydrophobicContact CD2-CE2 3.96Å; Y73-F78 HydrophobicContact CE2-CD2 4.4Å; Y73-F78 HydrophobicContact CE2-CE2 4.3Å; Y73-F78 AromaticContact CG-CD2 3.82Å; Y73-F78 HydrophobicContact CG-CD2 3.82Å; Y73-F78 HydrophobicContact CG-CE2 4.49Å; H74-F78 PolarHBondContact O-N 3.09Å; L75-F78 PolarHBondContact O-N 3.41Å; D76-F78 VanDerWaalsContact C-N 3.3Å; F78-L87 HydrophobicContact CD1-CB 3.64Å; F78-L87 HydrophobicContact CD1-CD1 4.38Å; F78-L87 WeakPolarHBondContact CD1-O 3.26Å; F78-L87 HydrophobicContact CE1-CB 3.61Å; F78-L87 HydrophobicContact CE1-CD1 4.1Å; F78-L87 PolarHBondContact O-N 3.11Å; F78-F93 HydrophobicContact CE1-CE1 4.4Å; F78-F93 HydrophobicContact CZ-CD1 4.39Å; F78-F93 HydrophobicContact CZ-CD2 4.47Å; F78-F93 AromaticContact CZ-CE1 3.92Å; F78-F93 HydrophobicContact CZ-CE1 3.92Å; F78-F93 HydrophobicContact CZ-CE2 4.01Å; F78-F93 AromaticContact CZ-CZ 3.7Å; F78-F93 HydrophobicContact CZ-CZ 3.7Å; F78-L101 HydrophobicContact CB-CD1 4.31Å; F78-L101 HydrophobicContact CD1-CD1 4.22Å; F78-L101 HydrophobicContact CD2-CD1 3.39Å; F78-L101 HydrophobicContact CE1-CD1 4.32Å; F78-L101 HydrophobicContact CE2-CD1 3.59Å; F78-L101 HydrophobicContact CE2-CD2 4.02Å; F78-L101 HydrophobicContact CE2-CG 4.48Å; F78-L101 HydrophobicContact CG-CD1 3.73Å; F78-L101 HydrophobicContact CZ-CD1 4.05Å; F78-L101 HydrophobicContact CZ-CD2 4.14Å; F78-I387 HydrophobicContact CD1-CD1 4.14Å; F78-I387 HydrophobicContact CE1-CD1 3.34Å; F78-I387 HydrophobicContact CE1-CG1 4.27Å; F78-I387 HydrophobicContact CZ-CD1 3.93Å; F78-I387 HydrophobicContact CZ-CG1 4.44Å
79S95.9Very high92.8Very high32 Ų3258.2 Ų58.222%0.22432%0.322CS..BIsolated β-bridgetrans-129.7152.3-173.4530000112.1C77 V81 R85C77-S79 PolarHBondContact O-N 3.16Å; S79-V81 PolarHBondContact O-N 2.8Å; S79-R85 CarbonylContact C-O 3.57Å; S79-R85 VanDerWaalsContact CA-O 3.27Å; S79-R85 WeakPolarHBondContact CA-O 3.3Å
80C96.2Very high92.7Very high1 Ų156.3 Ų56.31%0.00733%0.327CS..  trans-66.5129176.7-179.70000111.3S82 C83 A84 R85 L101 C103 D106C80-S82 PolarHBondContact O-N 3.48Å; C80-S82 PolarHBondContact SG-N 3.29Å; C80-S82 VanDerWaalsContact SG-N 3.39Å; C80-C83 VanDerWaalsContact CB-SG 3.55Å; C80-A84 WeakPolarHBondContact O-CA 3.4Å; C80-A84 PolarHBondContact O-N 2.99Å; C80-R85 PolarHBondContact N-O 2.65Å; C80-L101 CarbonylContact C-O 3.48Å; C80-L101 WeakPolarHBondContact CA-O 3.38Å; C80-C103 HydrophobicContact CB-CB 4.06Å; C80-C103 PolarHBondContact SG-N 3.44Å; C80-D106 PolarHBondContact SG-OD2 3.46Å
81V94.9Very high92.9Very high78 Ų7849.8 Ų49.847%0.47330%0.297SS..THydrogen-bonded Turntrans-64-21.4177.3-64.20000114.6S79 K100 L101 M102S79-V81 PolarHBondContact O-N 2.8Å; V81-K100 HydrophobicContact CG1-CB 3.82Å; V81-K100 HydrophobicContact CG1-CD 4.3Å; V81-K100 HydrophobicContact CG1-CG 4Å; V81-L101 PolarHBondContact N-O 3.33Å; V81-M102 HydrophobicContact CG2-CE 3.94Å
82S95.1Very high92.9Very high69 Ų6951 Ų5148%0.48330%0.302SS..THydrogen-bonded Turntrans-89.2-48.8-178-55.10000112.8C80C80-S82 PolarHBondContact O-N 3.48Å; C80-S82 PolarHBondContact SG-N 3.29Å; C80-S82 VanDerWaalsContact SG-N 3.39Å
83C96.5Very high92.9Very high59 Ų5950 Ų5040%0.39930%0.295SS..THydrogen-bonded Turntrans-107.32.2-17667.20000114.8C80 R85 D106C80-C83 VanDerWaalsContact CB-SG 3.55Å; C83-R85 PolarHBondContact O-N 2.59Å; C83-R85 WeakPolarHBondContact SG-CB 3.41Å; C83-D106 PolarHBondContact SG-OD2 3.02Å
84A95.4Very high92.9Very high79 Ų7951.8 Ų51.865%0.65330%0.303SS*.  trans56.36.6-17500000115.7C80 M86C80-A84 WeakPolarHBondContact O-CA 3.4Å; C80-A84 PolarHBondContact O-N 2.99Å; A84-M86 PolarHBondContact O-N 3.29Å
85R95.3Very high92.9Very high103 Ų10351.2 Ų51.239%0.38930%0.3SS..PPolyproline II helixtrans-69.5127.4-179.4-170.8-178.264.278.7-15.5110.6S79 C80 C83 D91S79-R85 CarbonylContact C-O 3.57Å; S79-R85 VanDerWaalsContact CA-O 3.27Å; S79-R85 WeakPolarHBondContact CA-O 3.3Å; C80-R85 PolarHBondContact N-O 2.65Å; C83-R85 PolarHBondContact O-N 2.59Å; C83-R85 WeakPolarHBondContact SG-CB 3.41Å; R85-D91 IonicContact CZ-OD2 3.36Å; R85-D91 IonicContact NH1-OD2 2.63Å; R85-D91 PolarHBondContact NH1-OD2 3.2Å; R85-D91 IonicContact NH2-OD2 3.09Å
86M94.7Very high92.9Very high95 Ų9550 Ų5047%0.46829%0.294SS..BIsolated β-bridgetrans-60.6135.7169.3-65.3176.8-179.900110.4D76 A84D76-M86 HydrophobicContact CB-CE 4.12Å; D76-M86 WeakPolarHBondContact OD1-CE 3.33Å; A84-M86 PolarHBondContact O-N 3.29Å
87L92.9Very high92.5Very high1 Ų151 Ų511%0.00529%0.289CS..PPolyproline II helixtrans-96.6120.8-178.8-61.5163.7000109.2R66 F78 D91 F93 L101 C103R66-L87 PolarHBondContact NE-O 3.45Å; F78-L87 HydrophobicContact CD1-CB 3.64Å; F78-L87 HydrophobicContact CD1-CD1 4.38Å; F78-L87 WeakPolarHBondContact CD1-O 3.26Å; F78-L87 HydrophobicContact CE1-CB 3.61Å; F78-L87 HydrophobicContact CE1-CD1 4.1Å; F78-L87 PolarHBondContact O-N 3.11Å; L87-D91 WeakPolarHBondContact CA-OD2 3.38Å; L87-D91 HydrophobicContact CB-CB 4.46Å; L87-D91 HydrophobicContact CD2-CB 4.39Å; L87-F93 HydrophobicContact CD1-CB 3.74Å; L87-F93 HydrophobicContact CD1-CG 4.18Å; L87-F93 HydrophobicContact CD2-CB 4.33Å; L87-L101 HydrophobicContact CD1-CB 3.98Å; L87-C103 HydrophobicContact CD2-CB 3.63Å
88N89.4Confident92.2Very high90 Ų9054 Ų5448%0.48130%0.303SS..PPolyproline II helixtrans-96.6167.2-173.4-76.5-49000113.1R66 G90 D91 I387R66-N88 PolarHBondContact NH2-OD1 2.97Å; N88-G90 PolarHBondContact O-N 3.32Å; N88-D91 PolarHBondContact N-OD2 2.83Å; N88-D91 VanDerWaalsContact O-CB 3.28Å; N88-D91 WeakPolarHBondContact O-CB 3.35Å; N88-D91 PolarHBondContact O-N 2.92Å; N88-I387 WeakPolarHBondContact O-CD1 3.28Å
89T85.8Confident92.1Very high55 Ų5559.2 Ų59.234%0.33732%0.323SS..THydrogen-bonded Turntrans-58.1124.1175.8-520000109.5R66 I387R66-T89 PolarHBondContact NH1-OG1 3.24Å; T89-I387 HydrophobicContact CG2-CG2 4.23Å; T89-I387 VanDerWaalsContact CG2-O 3.22Å; T89-I387 WeakPolarHBondContact CG2-O 3.42Å
90G85.1Confident91.9Very high48 Ų4862.2 Ų62.250%0.49533%0.332SS..THydrogen-bonded Turntrans89.9-8-169.800000116.9N88 I387N88-G90 PolarHBondContact O-N 3.32Å; G90-I387 PolarHBondContact N-O 2.94Å; G90-I387 VanDerWaalsContact N-O 3.09Å
91D89.8Confident91.8Very high41 Ų4162.3 Ų62.322%0.21933%0.332CS..  trans-71.8137.9173.9-79.5-7.6000111.6R85 L87 N88R85-D91 IonicContact CZ-OD2 3.36Å; R85-D91 IonicContact NH1-OD2 2.63Å; R85-D91 PolarHBondContact NH1-OD2 3.2Å; R85-D91 IonicContact NH2-OD2 3.09Å; L87-D91 WeakPolarHBondContact CA-OD2 3.38Å; L87-D91 HydrophobicContact CB-CB 4.46Å; L87-D91 HydrophobicContact CD2-CB 4.39Å; N88-D91 PolarHBondContact N-OD2 2.83Å; N88-D91 VanDerWaalsContact O-CB 3.28Å; N88-D91 WeakPolarHBondContact O-CB 3.35Å; N88-D91 PolarHBondContact O-N 2.92Å
92E90.2Very high91.8Very high60 Ų6059.7 Ų59.728%0.2832%0.315SS..EExtended strand (participates in β ladder)trans-81.6124171.3-63.7178.5109.100111K104 K384E92-K104 HydrophobicContact CB-CB 4.01Å; E92-K104 HydrophobicContact CB-CD 3.89Å; E92-K104 HydrophobicContact CG-CD 4.39Å; E92-K104 PolarHBondContact O-N 2.85Å; E92-K104 VanDerWaalsContact O-N 3.13Å; E92-K104 IonicContact OE1-NZ 2.65Å; E92-K104 PolarHBondContact OE1-NZ 3.03Å; E92-K104 WeakPolarHBondContact OE2-CD 3.48Å; E92-K104 WeakPolarHBondContact OE2-CE 3.4Å; E92-K104 IonicContact OE2-NZ 2.73Å; E92-K104 PolarHBondContact OE2-NZ 3.37Å; E92-K384 WeakPolarHBondContact OE1-CE 3.45Å; E92-K384 IonicContact OE1-NZ 2.68Å; E92-K384 PolarHBondContact OE1-NZ 3.29Å
93F93.3Very high91.8Very high3 Ų356.7 Ų56.71%0.01329%0.294CS..EExtended strand (participates in β ladder)trans-139.9164.2178.374.4-82.2000112.8A68 F78 L87 L101 M102 H385 I387A68-F93 HydrophobicContact CB-CE2 3.8Å; A68-F93 HydrophobicContact CB-CZ 3.77Å; F78-F93 HydrophobicContact CE1-CE1 4.4Å; F78-F93 HydrophobicContact CZ-CD1 4.39Å; F78-F93 HydrophobicContact CZ-CD2 4.47Å; F78-F93 AromaticContact CZ-CE1 3.92Å; F78-F93 HydrophobicContact CZ-CE1 3.92Å; F78-F93 HydrophobicContact CZ-CE2 4.01Å; F78-F93 AromaticContact CZ-CZ 3.7Å; F78-F93 HydrophobicContact CZ-CZ 3.7Å; L87-F93 HydrophobicContact CD1-CB 3.74Å; L87-F93 HydrophobicContact CD1-CG 4.18Å; L87-F93 HydrophobicContact CD2-CB 4.33Å; F93-L101 HydrophobicContact CD2-CD2 3.58Å; F93-L101 HydrophobicContact CE2-CD2 3.49Å; F93-L101 VanDerWaalsContact CE2-CD2 3.49Å; F93-M102 WeakPolarHBondContact CA-O 3.32Å; F93-H385 HydrophobicContact CD1-CB 4.2Å; F93-H385 WeakPolarHBondContact CD1-O 3.04Å; F93-H385 HydrophobicContact CE1-CB 3.44Å; F93-H385 VanDerWaalsContact CE1-CB 3.44Å; F93-H385 HydrophobicContact CE2-CB 4.05Å; F93-H385 HydrophobicContact CZ-CB 3.35Å; F93-H385 PolarHBondContact N-O 2.99Å; F93-H385 PolarHBondContact O-N 3.3Å; F93-H385 VanDerWaalsContact O-N 3.15Å; F93-I387 HydrophobicContact CD1-CG1 4.06Å; F93-I387 HydrophobicContact CE1-CD1 4.3Å; F93-I387 HydrophobicContact CE1-CG1 3.57Å
94Y92.8Very high91.6Very high40 Ų4056.8 Ų56.816%0.15729%0.288CS..EExtended strand (participates in β ladder)trans-116.9137.5175.5-67.6-90.7000109.8M102 K104 F107 I381 K384Y94-M102 PolarHBondContact N-O 3.47Å; Y94-M102 PolarHBondContact O-N 3.42Å; Y94-K104 HydrophobicContact CE2-CB 4.15Å; Y94-K104 HydrophobicContact CE2-CG 4.25Å; Y94-F107 AromaticContact CD1-CD1 3.86Å; Y94-F107 HydrophobicContact CD1-CD1 3.86Å; Y94-F107 AromaticContact CD1-CE1 3.87Å; Y94-F107 HydrophobicContact CD1-CE1 3.87Å; Y94-F107 HydrophobicContact CD1-CG 4.27Å; Y94-F107 HydrophobicContact CD1-CZ 4.35Å; Y94-F107 HydrophobicContact CD2-CB 3.53Å; Y94-F107 AromaticContact CD2-CD1 3.47Å; Y94-F107 HydrophobicContact CD2-CD1 3.47Å; Y94-F107 VanDerWaalsContact CD2-CD1 3.47Å; Y94-F107 HydrophobicContact CD2-CD2 4.41Å; Y94-F107 HydrophobicContact CD2-CE1 4.32Å; Y94-F107 AromaticContact CD2-CG 3.51Å; Y94-F107 HydrophobicContact CD2-CG 3.51Å; Y94-F107 AromaticContact CE1-CD1 3.72Å; Y94-F107 HydrophobicContact CE1-CD1 3.72Å; Y94-F107 AromaticContact CE1-CE1 3.65Å; Y94-F107 HydrophobicContact CE1-CE1 3.65Å; Y94-F107 HydrophobicContact CE1-CZ 4.47Å; Y94-F107 HydrophobicContact CE2-CB 3.94Å; Y94-F107 AromaticContact CE2-CD1 3.32Å; Y94-F107 HydrophobicContact CE2-CD1 3.32Å; Y94-F107 HydrophobicContact CE2-CE1 4.13Å; Y94-F107 AromaticContact CE2-CG 3.85Å; Y94-F107 HydrophobicContact CE2-CG 3.85Å; Y94-F107 HydrophobicContact CG-CB 4.18Å; Y94-F107 AromaticContact CG-CD1 3.73Å; Y94-F107 HydrophobicContact CG-CD1 3.73Å; Y94-F107 HydrophobicContact CG-CD2 4.25Å; Y94-F107 HydrophobicContact CG-CE1 4.2Å; Y94-F107 AromaticContact CG-CG 3.74Å; Y94-F107 HydrophobicContact CG-CG 3.74Å; Y94-F107 AromaticContact CZ-CD1 3.45Å; Y94-F107 VanDerWaalsContact CZ-CD1 3.45Å; Y94-F107 AromaticContact CZ-CE1 3.79Å; Y94-I381 HydrophobicContact CD1-CG2 3.76Å; Y94-I381 HydrophobicContact CG-CG2 4.46Å; Y94-K384 HydrophobicContact CE1-CB 4.33Å
95L92.9Very high91.6Very high9 Ų956.6 Ų56.65%0.04728%0.282CS..EExtended strand (participates in β ladder)trans-99.7120.5172.3-175.864000109.4A68 Q69 Y73 L101A68-L95 HydrophobicContact CB-CD2 4.5Å; Q69-L95 HydrophobicContact CB-CD2 4.24Å; Q69-L95 HydrophobicContact CG-CD2 4.01Å; Y73-L95 WeakPolarHBondContact OH-CD1 3.43Å; L95-L101 HydrophobicContact CD1-CD2 3.8Å
96L91Very high91.6Very high41 Ų4153.5 Ų53.522%0.21527%0.273CS..EExtended strand (participates in β ladder)trans-86.4157175.5-77.865.5000110.2D98 R99 K100 M102L96-D98 PolarHBondContact O-N 3.45Å; L96-R99 PolarHBondContact O-N 3.24Å; L96-K100 HydrophobicContact CB-CB 4.23Å; L96-K100 PolarHBondContact N-O 2.98Å; L96-M102 HydrophobicContact CD1-CB 3.82Å; L96-M102 HydrophobicContact CD1-CE 4.46Å; L96-M102 HydrophobicContact CD2-CE 4.11Å
97R86.1Confident91.6Very high135 Ų13550.3 Ų50.351%0.50926%0.256SS..THydrogen-bonded Turntrans-48-37.3178.1-72.8-175169.7-169.8-9.5114.5R99 D379 N380R97-R99 PolarHBondContact O-N 3.28Å; R97-D379 IonicContact CZ-OD1 3.65Å; R97-D379 IonicContact CZ-OD2 3.67Å; R97-D379 PolarHBondContact NE-O 2.87Å; R97-D379 VanDerWaalsContact NH1-CG 3.29Å; R97-D379 PolarHBondContact NH1-O 2.55Å; R97-D379 IonicContact NH1-OD1 3.64Å; R97-D379 IonicContact NH1-OD2 2.7Å; R97-D379 PolarHBondContact NH1-OD2 3.24Å; R97-D379 PolarHBondContact NH2-O 2.99Å; R97-D379 IonicContact NH2-OD1 2.64Å; R97-D379 PolarHBondContact NH2-OD1 2.9Å; R97-D379 IonicContact NH2-OD2 3.79Å; R97-D379 PolarHBondContact NH2-OD2 2.85Å; R97-N380 WeakPolarHBondContact CD-OD1 3.34Å
98D88.7Confident91.6Very high96 Ų9654.9 Ų54.951%0.51328%0.278SS..THydrogen-bonded Turntrans-68.87.8179-72.42.3000115L96 K100L96-D98 PolarHBondContact O-N 3.45Å; D98-K100 HydrophobicContact CB-CB 4.29Å; D98-K100 HydrophobicContact CB-CD 3.66Å; D98-K100 HydrophobicContact CB-CG 3.8Å; D98-K100 PolarHBondContact O-N 3.36Å; D98-K100 WeakPolarHBondContact OD2-CE 3.49Å; D98-K100 IonicContact OD2-NZ 2.82Å; D98-K100 PolarHBondContact OD2-NZ 2.95Å
99R91.4Very high91.8Very high108 Ų10853.5 Ų53.541%0.40827%0.272SS..THydrogen-bonded Turntrans60.228.5-166.6-43.3174.8-61.4-81.76.3112.8A53 D56 N71 Y73 L96 R97A53-R99 HydrophobicContact CB-CB 3.99Å; D56-R99 IonicContact OD1-NH2 2.65Å; N71-R99 WeakPolarHBondContact OD1-CD 3.32Å; N71-R99 WeakPolarHBondContact OD1-CG 3.37Å; Y73-R99 PolarHBondContact OH-O 3.48Å; Y73-R99 VanDerWaalsContact OH-O 3.1Å; L96-R99 PolarHBondContact O-N 3.24Å; R97-R99 PolarHBondContact O-N 3.28Å
100K92.6Very high92.1Very high95 Ų9553 Ų5341%0.41327%0.274SS..EExtended strand (participates in β ladder)trans-97.2139.7179.6-74.2173.5-170.9156.60110.4V81 L96 D98V81-K100 HydrophobicContact CG1-CB 3.82Å; V81-K100 HydrophobicContact CG1-CD 4.3Å; V81-K100 HydrophobicContact CG1-CG 4Å; L96-K100 HydrophobicContact CB-CB 4.23Å; L96-K100 PolarHBondContact N-O 2.98Å; D98-K100 HydrophobicContact CB-CB 4.29Å; D98-K100 HydrophobicContact CB-CD 3.66Å; D98-K100 HydrophobicContact CB-CG 3.8Å; D98-K100 PolarHBondContact O-N 3.36Å; D98-K100 WeakPolarHBondContact OD2-CE 3.49Å; D98-K100 IonicContact OD2-NZ 2.82Å; D98-K100 PolarHBondContact OD2-NZ 2.95Å
101L93.6Very high92.3Very high4 Ų457 Ų572%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-99.9134.8-178.7-60.2164.1000109.9A68 Y73 F78 C80 V81 L87 F93 L95A68-L101 HydrophobicContact CB-CD2 4.34Å; Y73-L101 HydrophobicContact CD1-CD1 4.07Å; Y73-L101 HydrophobicContact CE1-CD1 3.94Å; Y73-L101 HydrophobicContact CE1-CG 4.23Å; Y73-L101 HydrophobicContact CG-CD1 4.43Å; F78-L101 HydrophobicContact CB-CD1 4.31Å; F78-L101 HydrophobicContact CD1-CD1 4.22Å; F78-L101 HydrophobicContact CD2-CD1 3.39Å; F78-L101 HydrophobicContact CE1-CD1 4.32Å; F78-L101 HydrophobicContact CE2-CD1 3.59Å; F78-L101 HydrophobicContact CE2-CD2 4.02Å; F78-L101 HydrophobicContact CE2-CG 4.48Å; F78-L101 HydrophobicContact CG-CD1 3.73Å; F78-L101 HydrophobicContact CZ-CD1 4.05Å; F78-L101 HydrophobicContact CZ-CD2 4.14Å; C80-L101 CarbonylContact C-O 3.48Å; C80-L101 WeakPolarHBondContact CA-O 3.38Å; V81-L101 PolarHBondContact N-O 3.33Å; L87-L101 HydrophobicContact CD1-CB 3.98Å; F93-L101 HydrophobicContact CD2-CD2 3.58Å; F93-L101 HydrophobicContact CE2-CD2 3.49Å; F93-L101 VanDerWaalsContact CE2-CD2 3.49Å; L95-L101 HydrophobicContact CD1-CD2 3.8Å
102M94.9Very high92.4Very high22 Ų2257.4 Ų57.411%0.10829%0.287CS..EExtended strand (participates in β ladder)trans-128.8132.5173.7-167.4174.6-6700109.8V81 F93 Y94 L96 D106 F107V81-M102 HydrophobicContact CG2-CE 3.94Å; F93-M102 WeakPolarHBondContact CA-O 3.32Å; Y94-M102 PolarHBondContact N-O 3.47Å; Y94-M102 PolarHBondContact O-N 3.42Å; L96-M102 HydrophobicContact CD1-CB 3.82Å; L96-M102 HydrophobicContact CD1-CE 4.46Å; L96-M102 HydrophobicContact CD2-CE 4.11Å; M102-D106 HydrophobicContact CG-CB 3.81Å; M102-D106 HydrophobicContact SD-CB 4.26Å; M102-F107 HydrophobicContact CG-CB 4.12Å; M102-F107 VanDerWaalsContact SD-CA 3.55Å; M102-F107 HydrophobicContact SD-CB 3.91Å; M102-F107 HydrophobicContact SD-CD2 4.08Å
103C95.1Very high92.4Very high6 Ų662.1 Ų62.14%0.04130%0.302CS..EExtended strand (participates in β ladder)trans-70.9152.9176.296.20000110.4C80 L87 S105 D106 F107C80-C103 HydrophobicContact CB-CB 4.06Å; C80-C103 PolarHBondContact SG-N 3.44Å; L87-C103 HydrophobicContact CD2-CB 3.63Å; C103-S105 VanDerWaalsContact C-N 3.31Å; C103-S105 PolarHBondContact O-N 2.98Å; C103-D106 PolarHBondContact O-N 2.98Å; C103-D106 PolarHBondContact SG-OD2 3.2Å; C103-F107 PolarHBondContact O-N 3.05Å
104K93.1Very high92.1Very high61 Ų6167 Ų6727%0.26533%0.325SS..Hα-helixtrans-50.8-46.2-178.4174.2176.9170.9-177.20114.1E92 Y94 D106 F107 E108E92-K104 HydrophobicContact CB-CB 4.01Å; E92-K104 HydrophobicContact CB-CD 3.89Å; E92-K104 HydrophobicContact CG-CD 4.39Å; E92-K104 PolarHBondContact O-N 2.85Å; E92-K104 VanDerWaalsContact O-N 3.13Å; E92-K104 IonicContact OE1-NZ 2.65Å; E92-K104 PolarHBondContact OE1-NZ 3.03Å; E92-K104 WeakPolarHBondContact OE2-CD 3.48Å; E92-K104 WeakPolarHBondContact OE2-CE 3.4Å; E92-K104 IonicContact OE2-NZ 2.73Å; E92-K104 PolarHBondContact OE2-NZ 3.37Å; Y94-K104 HydrophobicContact CE2-CB 4.15Å; Y94-K104 HydrophobicContact CE2-CG 4.25Å; K104-D106 PolarHBondContact O-N 2.95Å; K104-F107 PolarHBondContact O-N 3.28Å; K104-E108 WeakPolarHBondContact CE-OE1 3.44Å; K104-E108 HydrophobicContact CG-CG 4.25Å; K104-E108 WeakPolarHBondContact CG-OE1 3.43Å; K104-E108 WeakPolarHBondContact O-CB 3.38Å; K104-E108 WeakPolarHBondContact O-CG 3.36Å; K104-E108 PolarHBondContact O-N 3.2Å
105S94.5Very high91.7Very high76 Ų7668 Ų6853%0.53134%0.341SS..Hα-helixtrans-63-41.4-178.51780000112.8C103 T109C103-S105 VanDerWaalsContact C-N 3.31Å; C103-S105 PolarHBondContact O-N 2.98Å; S105-T109 VanDerWaalsContact O-CB 3.32Å; S105-T109 WeakPolarHBondContact O-CB 3.49Å; S105-T109 PolarHBondContact O-N 3.48Å; S105-T109 PolarHBondContact O-OG1 2.99Å
106D96.1Very high91.4Very high37 Ų3773.9 Ų73.920%0.19837%0.369CS..Hα-helixtrans-69.6-37.2176.4-67.5-57.7000111.4C80 C83 M102 C103 K104 T109 A110C80-D106 PolarHBondContact SG-OD2 3.46Å; C83-D106 PolarHBondContact SG-OD2 3.02Å; M102-D106 HydrophobicContact CG-CB 3.81Å; M102-D106 HydrophobicContact SD-CB 4.26Å; C103-D106 PolarHBondContact O-N 2.98Å; C103-D106 PolarHBondContact SG-OD2 3.2Å; K104-D106 PolarHBondContact O-N 2.95Å; D106-T109 PolarHBondContact O-N 3.47Å; D106-A110 WeakPolarHBondContact O-CB 3.49Å; D106-A110 PolarHBondContact O-N 3.22Å
107F93.9Very high91Very high28 Ų2877.3 Ų77.312%0.12339%0.386CS..Hα-helixtrans-67.1-47.3178.4-178.8-103.9000112.4Y94 M102 C103 K104 T109 A110 K111 I381Y94-F107 AromaticContact CD1-CD1 3.86Å; Y94-F107 HydrophobicContact CD1-CD1 3.86Å; Y94-F107 AromaticContact CD1-CE1 3.87Å; Y94-F107 HydrophobicContact CD1-CE1 3.87Å; Y94-F107 HydrophobicContact CD1-CG 4.27Å; Y94-F107 HydrophobicContact CD1-CZ 4.35Å; Y94-F107 HydrophobicContact CD2-CB 3.53Å; Y94-F107 AromaticContact CD2-CD1 3.47Å; Y94-F107 HydrophobicContact CD2-CD1 3.47Å; Y94-F107 VanDerWaalsContact CD2-CD1 3.47Å; Y94-F107 HydrophobicContact CD2-CD2 4.41Å; Y94-F107 HydrophobicContact CD2-CE1 4.32Å; Y94-F107 AromaticContact CD2-CG 3.51Å; Y94-F107 HydrophobicContact CD2-CG 3.51Å; Y94-F107 AromaticContact CE1-CD1 3.72Å; Y94-F107 HydrophobicContact CE1-CD1 3.72Å; Y94-F107 AromaticContact CE1-CE1 3.65Å; Y94-F107 HydrophobicContact CE1-CE1 3.65Å; Y94-F107 HydrophobicContact CE1-CZ 4.47Å; Y94-F107 HydrophobicContact CE2-CB 3.94Å; Y94-F107 AromaticContact CE2-CD1 3.32Å; Y94-F107 HydrophobicContact CE2-CD1 3.32Å; Y94-F107 HydrophobicContact CE2-CE1 4.13Å; Y94-F107 AromaticContact CE2-CG 3.85Å; Y94-F107 HydrophobicContact CE2-CG 3.85Å; Y94-F107 HydrophobicContact CG-CB 4.18Å; Y94-F107 AromaticContact CG-CD1 3.73Å; Y94-F107 HydrophobicContact CG-CD1 3.73Å; Y94-F107 HydrophobicContact CG-CD2 4.25Å; Y94-F107 HydrophobicContact CG-CE1 4.2Å; Y94-F107 AromaticContact CG-CG 3.74Å; Y94-F107 HydrophobicContact CG-CG 3.74Å; Y94-F107 AromaticContact CZ-CD1 3.45Å; Y94-F107 VanDerWaalsContact CZ-CD1 3.45Å; Y94-F107 AromaticContact CZ-CE1 3.79Å; M102-F107 HydrophobicContact CG-CB 4.12Å; M102-F107 VanDerWaalsContact SD-CA 3.55Å; M102-F107 HydrophobicContact SD-CB 3.91Å; M102-F107 HydrophobicContact SD-CD2 4.08Å; C103-F107 PolarHBondContact O-N 3.05Å; K104-F107 PolarHBondContact O-N 3.28Å; F107-T109 VanDerWaalsContact C-N 3.29Å; F107-T109 PolarHBondContact O-N 3.33Å; F107-A110 PolarHBondContact O-N 3.24Å; F107-K111 WeakPolarHBondContact O-CB 3.29Å; F107-K111 PolarHBondContact O-N 3.46Å; F107-I381 HydrophobicContact CE2-CB 4.37Å; F107-I381 HydrophobicContact CE2-CD1 3.71Å; F107-I381 HydrophobicContact CE2-CG1 3.59Å; F107-I381 HydrophobicContact CE2-CG2 4.14Å; F107-I381 HydrophobicContact CZ-CB 4.28Å; F107-I381 HydrophobicContact CZ-CD1 3.97Å; F107-I381 HydrophobicContact CZ-CG1 3.95Å; F107-I381 HydrophobicContact CZ-CG2 3.97Å
108E93.3Very high91Very high97 Ų9775 Ų7545%0.45338%0.384SS..Hα-helixtrans-61.1-40174.9-71.4171.5169.200111K104 K111 A112K104-E108 WeakPolarHBondContact CE-OE1 3.44Å; K104-E108 HydrophobicContact CG-CG 4.25Å; K104-E108 WeakPolarHBondContact CG-OE1 3.43Å; K104-E108 WeakPolarHBondContact O-CB 3.38Å; K104-E108 WeakPolarHBondContact O-CG 3.36Å; K104-E108 PolarHBondContact O-N 3.2Å; E108-K111 PolarHBondContact O-N 2.7Å; E108-A112 WeakPolarHBondContact O-CB 3.37Å; E108-A112 PolarHBondContact O-N 2.95Å
109T94.3Very high90.6Very high61 Ų6175.8 Ų75.837%0.37439%0.388SS..Hα-helixtrans-65.7-41.7175.2-57.50000112.4S105 D106 F107 A112 R113S105-T109 VanDerWaalsContact O-CB 3.32Å; S105-T109 WeakPolarHBondContact O-CB 3.49Å; S105-T109 PolarHBondContact O-N 3.48Å; S105-T109 PolarHBondContact O-OG1 2.99Å; D106-T109 PolarHBondContact O-N 3.47Å; F107-T109 VanDerWaalsContact C-N 3.29Å; F107-T109 PolarHBondContact O-N 3.33Å; T109-A112 PolarHBondContact O-N 3.19Å; T109-R113 WeakPolarHBondContact O-CG 3.11Å; T109-R113 PolarHBondContact O-N 3.46Å; T109-R113 VanDerWaalsContact O-N 3.12Å
110A91.9Very high90.1Very high45 Ų4574.4 Ų74.437%0.37240%0.4SS..Hα-helixtrans-64.5-46176.400000111.3D106 F107 A112 R113 E114D106-A110 WeakPolarHBondContact O-CB 3.49Å; D106-A110 PolarHBondContact O-N 3.22Å; F107-A110 PolarHBondContact O-N 3.24Å; A110-A112 VanDerWaalsContact C-N 3.35Å; A110-A112 PolarHBondContact O-N 3.49Å; A110-R113 PolarHBondContact O-N 3.12Å; A110-E114 PolarHBondContact O-N 3.1Å
111K89.9Confident89.4Confident133 Ų13376.2 Ų76.258%0.57841%0.414SS*.Hα-helixtrans-62.7-38.6177-174175.1-179176.80112.5F107 E108 E114 A115F107-K111 WeakPolarHBondContact O-CB 3.29Å; F107-K111 PolarHBondContact O-N 3.46Å; E108-K111 PolarHBondContact O-N 2.7Å; K111-E114 PolarHBondContact O-N 3.17Å; K111-A115 PolarHBondContact O-N 3.45Å; K111-A115 VanDerWaalsContact O-N 3.1Å
112A90.4Very high88.7Confident48 Ų4882 Ų8240%0.39744%0.439SS..Hα-helixtrans-62.8-45174.500000111.7E108 T109 A110 E114 A115 E116E108-A112 WeakPolarHBondContact O-CB 3.37Å; E108-A112 PolarHBondContact O-N 2.95Å; T109-A112 PolarHBondContact O-N 3.19Å; A110-A112 VanDerWaalsContact C-N 3.35Å; A110-A112 PolarHBondContact O-N 3.49Å; A112-E114 PolarHBondContact O-N 2.85Å; A112-A115 PolarHBondContact O-N 3.45Å; A112-E116 WeakPolarHBondContact O-CG 3.49Å; A112-E116 PolarHBondContact O-N 3.06Å
113R89.9Confident87.6Confident160 Ų16092 Ų9260%0.60448%0.476SS*.Hα-helixtrans-64.1-38.1176.8-71.8175.8-178.7-178.32.7113.1T109 A110 E116 L117T109-R113 WeakPolarHBondContact O-CG 3.11Å; T109-R113 PolarHBondContact O-N 3.46Å; T109-R113 VanDerWaalsContact O-N 3.12Å; A110-R113 PolarHBondContact O-N 3.12Å; R113-E116 PolarHBondContact O-N 3.49Å; R113-L117 VanDerWaalsContact O-CG 3.29Å; R113-L117 WeakPolarHBondContact O-CG 3.32Å; R113-L117 PolarHBondContact O-N 3.43Å
114E87.7Confident86.8Confident105 Ų10597.9 Ų97.949%0.49151%0.514SS..Hα-helixtrans-60.9-47.3174.4-170.4175.2-168.600110.6A110 K111 A112 E116 L117 D118A110-E114 PolarHBondContact O-N 3.1Å; K111-E114 PolarHBondContact O-N 3.17Å; A112-E114 PolarHBondContact O-N 2.85Å; E114-E116 PolarHBondContact O-N 2.9Å; E114-L117 PolarHBondContact O-N 2.92Å; E114-D118 WeakPolarHBondContact O-CB 3.39Å; E114-D118 PolarHBondContact O-N 3.24Å
115A85.6Confident86.2Confident61 Ų61106.1 Ų106.150%0.50454%0.543SS..Hα-helixtrans-63.6-37.2175.400000113.4K111 A112 N119K111-A115 PolarHBondContact O-N 3.45Å; K111-A115 VanDerWaalsContact O-N 3.1Å; A112-A115 PolarHBondContact O-N 3.45Å; A115-N119 VanDerWaalsContact O-CB 3.32Å; A115-N119 WeakPolarHBondContact O-CB 3.35Å; A115-N119 PolarHBondContact O-N 2.81Å
116E85.1Confident85.8Confident133 Ų133106.8 Ų106.862%0.62154%0.544SS*.Hα-helixtrans-64.1-44.5174.4-76.5172.9-179.900112.1A112 R113 E114 N119 A120A112-E116 WeakPolarHBondContact O-CG 3.49Å; A112-E116 PolarHBondContact O-N 3.06Å; R113-E116 PolarHBondContact O-N 3.49Å; E114-E116 PolarHBondContact O-N 2.9Å; E116-N119 PolarHBondContact O-N 3.26Å; E116-A120 WeakPolarHBondContact O-CB 3.36Å; E116-A120 PolarHBondContact O-N 2.84Å
117L84.1Confident85.5Confident112 Ų112111.2 Ų111.259%0.58657%0.573SS**Hα-helixtrans-64-44.3176.4-71.4169.3000111.4R113 E114 N119 A120 N121R113-L117 VanDerWaalsContact O-CG 3.29Å; R113-L117 WeakPolarHBondContact O-CG 3.32Å; R113-L117 PolarHBondContact O-N 3.43Å; E114-L117 PolarHBondContact O-N 2.92Å; L117-N119 PolarHBondContact O-N 2.87Å; L117-A120 PolarHBondContact O-N 3.26Å; L117-N121 WeakPolarHBondContact O-CB 3.45Å; L117-N121 VanDerWaalsContact O-CG 3.23Å; L117-N121 PolarHBondContact O-N 2.67Å; L117-N121 PolarHBondContact O-ND2 3.36Å
118D84.3Confident85.5Confident88 Ų88112.5 Ų112.547%0.47158%0.58SS.*Hα-helixtrans-62.4-30.8174.8-91.7-5.9000113E114 K122E114-D118 WeakPolarHBondContact O-CB 3.39Å; E114-D118 PolarHBondContact O-N 3.24Å; D118-K122 WeakPolarHBondContact O-CE 3.4Å; D118-K122 VanDerWaalsContact O-CG 3.32Å; D118-K122 WeakPolarHBondContact O-CG 3.4Å; D118-K122 PolarHBondContact O-NZ 3.11Å
119N81.6Confident85.6Confident112 Ų112111.1 Ų111.160%0.59958%0.582SS**Hα-helixtrans-81.6-35.5176.5-155.644.3000112.2A115 E116 L117 N121 K122A115-N119 VanDerWaalsContact O-CB 3.32Å; A115-N119 WeakPolarHBondContact O-CB 3.35Å; A115-N119 PolarHBondContact O-N 2.81Å; E116-N119 PolarHBondContact O-N 3.26Å; L117-N119 PolarHBondContact O-N 2.87Å; N119-N121 VanDerWaalsContact C-N 3.33Å; N119-K122 WeakPolarHBondContact O-CB 2.94Å; N119-K122 PolarHBondContact O-N 2.63Å
120A79.5Confident85.6Confident79 Ų79111.4 Ų111.465%0.65359%0.59SS**Hα-helixtrans-67-32.7173.200000112.7E116 L117 K122E116-A120 WeakPolarHBondContact O-CB 3.36Å; E116-A120 PolarHBondContact O-N 2.84Å; L117-A120 PolarHBondContact O-N 3.26Å; A120-K122 VanDerWaalsContact C-N 3.27Å; A120-K122 PolarHBondContact O-N 3.38Å
121N78.3Confident85.8Confident132 Ų132117 Ų11771%0.70661%0.606SS**THydrogen-bonded Turntrans-73.9-14.4174.8-73-28000113.4L117 N119L117-N121 WeakPolarHBondContact O-CB 3.45Å; L117-N121 VanDerWaalsContact O-CG 3.23Å; L117-N121 PolarHBondContact O-N 2.67Å; L117-N121 PolarHBondContact O-ND2 3.36Å; N119-N121 VanDerWaalsContact C-N 3.33Å
122K78.3Confident86.1Confident125 Ų125112.7 Ų112.754%0.54359%0.588SS.*SBendtrans-78.3128.3172.7-68.1170-141.8-48.60109.2D118 N119 A120D118-K122 WeakPolarHBondContact O-CE 3.4Å; D118-K122 VanDerWaalsContact O-CG 3.32Å; D118-K122 WeakPolarHBondContact O-CG 3.4Å; D118-K122 PolarHBondContact O-NZ 3.11Å; N119-K122 WeakPolarHBondContact O-CB 2.94Å; N119-K122 PolarHBondContact O-N 2.63Å; A120-K122 VanDerWaalsContact C-N 3.27Å; A120-K122 PolarHBondContact O-N 3.38Å
123R72.4Confident86.4Confident234 Ų234113.3 Ų113.388%0.88358%0.584SS**PPolyproline II helixtrans-54.9136.8175.2-66.4-178.3-174.9169.72.5109.9R125R123-R125 PolarHBondContact O-N 2.88Å
124P79Confident86.7Confident129 Ų129111.5 Ų111.584%0.83858%0.583SS**PPolyproline II helixtrans-49.9127.3178.4-29.435.2000111.8T126P124-T126 PolarHBondContact O-N 2.82Å
125R81Confident87.1Confident233 Ų233107 Ų10788%0.87956%0.564SS**PPolyproline II helixtrans-69.8122.1179.8-171.6-179.3-174.5112.2-7.1109.1R123 T127R123-R125 PolarHBondContact O-N 2.88Å; R125-T127 PolarHBondContact O-N 2.94Å
126T85.3Confident87.7Confident91 Ų91104.1 Ų104.156%0.55854%0.54SS*.PPolyproline II helixtrans-63.6119.7173.853.30000110.3P124 V164P124-T126 PolarHBondContact O-N 2.82Å; T126-V164 HydrophobicContact CG2-CG2 4.07Å
127T90.2Very high88.3Confident130 Ų130101.8 Ų101.880%0.79853%0.528SS*.PPolyproline II helixtrans-85.8134.4170.8500000109.8R125R125-T127 PolarHBondContact O-N 2.94Å
128I93Very high88.9Confident54 Ų54102.1 Ų102.128%0.27752%0.521SS..  trans-109.3122.1177.1-62.9173000107.2Q132 L133 L136 L160 V164 W168I128-Q132 HydrophobicContact CG2-CB 3.72Å; I128-L133 HydrophobicContact CG2-CB 4.32Å; I128-L136 HydrophobicContact CD1-CD1 4.4Å; I128-L136 HydrophobicContact CG2-CD1 3.96Å; I128-L160 HydrophobicContact CG1-CD1 4.42Å; I128-L160 HydrophobicContact CG1-CD2 4.4Å; I128-L160 HydrophobicContact CG2-CD1 4.24Å; I128-V164 HydrophobicContact CD1-CG1 4.05Å; I128-V164 HydrophobicContact CG1-CG1 4.36Å; I128-W168 HydrophobicContact CD1-CG 4.43Å
129S95Very high89.5Confident69 Ų6998.4 Ų98.448%0.48350%0.501SS..  trans-67154179.61780000112K131 Q132 L133S129-K131 VanDerWaalsContact C-N 3.31Å; S129-K131 PolarHBondContact O-N 3.09Å; S129-Q132 WeakPolarHBondContact O-CB 3.46Å; S129-Q132 PolarHBondContact O-N 3.39Å; S129-L133 PolarHBondContact O-N 3.44Å
130A95.4Very high90.3Very high67 Ų6794 Ų9455%0.55448%0.477SS*.Hα-helixtrans-52-47177.500000112.4Q132 L133 E134A130-Q132 VanDerWaalsContact C-N 3.32Å; A130-Q132 PolarHBondContact O-N 2.93Å; A130-L133 CarbonylContact O-C 3.59Å; A130-L133 WeakPolarHBondContact O-CA 3.45Å; A130-L133 WeakPolarHBondContact O-CB 3.05Å; A130-L133 PolarHBondContact O-N 3.1Å; A130-L133 VanDerWaalsContact O-N 3.08Å; A130-E134 WeakPolarHBondContact O-CG 3.33Å; A130-E134 PolarHBondContact O-N 3.32Å
131K95.1Very high91Very high162 Ų16295 Ų9570%0.70448%0.479SS*.Hα-helixtrans-60.8-37176.5-175.1-178.6178.2-174.90113.2S129 A135S129-K131 VanDerWaalsContact C-N 3.31Å; S129-K131 PolarHBondContact O-N 3.09Å; K131-A135 PolarHBondContact O-N 3.21Å
132Q97Very high91.8Very high43 Ų4395.2 Ų95.220%0.20148%0.475CS..Hα-helixtrans-70.9-38.3175.9-64.8170.4-42.200110.5I128 S129 A130 A135 L136 T158 L160I128-Q132 HydrophobicContact CG2-CB 3.72Å; S129-Q132 WeakPolarHBondContact O-CB 3.46Å; S129-Q132 PolarHBondContact O-N 3.39Å; A130-Q132 VanDerWaalsContact C-N 3.32Å; A130-Q132 PolarHBondContact O-N 2.93Å; Q132-A135 PolarHBondContact O-N 3.05Å; Q132-L136 WeakPolarHBondContact O-CD1 3.27Å; Q132-L136 WeakPolarHBondContact O-CG 3.35Å; Q132-L136 PolarHBondContact O-N 3.01Å; Q132-L136 VanDerWaalsContact O-N 3.08Å; Q132-T158 HydrophobicContact CB-CG2 4.44Å; Q132-T158 PolarHBondContact NE2-O 2.88Å; Q132-L160 HydrophobicContact CB-CD1 4.19Å
133L96.8Very high92.6Very high61 Ų6191 Ų9132%0.31946%0.462SS..Hα-helixtrans-66.2-35.5177.1-173.864.3000112.5I128 S129 A130 L136 K137 W168I128-L133 HydrophobicContact CG2-CB 4.32Å; S129-L133 PolarHBondContact O-N 3.44Å; A130-L133 CarbonylContact O-C 3.59Å; A130-L133 WeakPolarHBondContact O-CA 3.45Å; A130-L133 WeakPolarHBondContact O-CB 3.05Å; A130-L133 PolarHBondContact O-N 3.1Å; A130-L133 VanDerWaalsContact O-N 3.08Å; L133-L136 PolarHBondContact O-N 3.08Å; L133-K137 HydrophobicContact CG-CG 4.48Å; L133-K137 WeakPolarHBondContact O-CB 3.16Å; L133-K137 WeakPolarHBondContact O-CG 3.28Å; L133-K137 PolarHBondContact O-N 2.99Å; L133-W168 HydrophobicContact CD1-CZ2 3.81Å; L133-W168 VanDerWaalsContact CD1-NE1 3.35Å
134E96.6Very high93.7Very high122 Ų12282.8 Ų82.857%0.5744%0.439SS*.Hα-helixtrans-60.4-49172.8-74.6162.8-155.600112A130 L136 K137 R138A130-E134 WeakPolarHBondContact O-CG 3.33Å; A130-E134 PolarHBondContact O-N 3.32Å; E134-L136 VanDerWaalsContact C-N 3.34Å; E134-L136 PolarHBondContact O-N 3.22Å; E134-K137 PolarHBondContact O-N 3.22Å; E134-R138 WeakPolarHBondContact O-CB 3.05Å; E134-R138 PolarHBondContact O-N 2.86Å
135A96.5Very high94.5Very high11 Ų1184.7 Ų84.79%0.09143%0.434CS..Hα-helixtrans-61.3-42.1176.800000111.9K131 Q132 R138 V139 L154 T158K131-A135 PolarHBondContact O-N 3.21Å; Q132-A135 PolarHBondContact O-N 3.05Å; A135-R138 PolarHBondContact O-N 3.13Å; A135-V139 PolarHBondContact O-N 3.03Å; A135-L154 HydrophobicContact CB-CD1 3.91Å; A135-T158 HydrophobicContact CB-CG2 3.8Å
136L97.5Very high95.2Very high0 Ų073.9 Ų73.90%039%0.394CS..Hα-helixtrans-63-43.2173.5-73.1160.3000112.5I128 Q132 L133 E134 Y140 L154 L160 V165 W168 F169I128-L136 HydrophobicContact CD1-CD1 4.4Å; I128-L136 HydrophobicContact CG2-CD1 3.96Å; Q132-L136 WeakPolarHBondContact O-CD1 3.27Å; Q132-L136 WeakPolarHBondContact O-CG 3.35Å; Q132-L136 PolarHBondContact O-N 3.01Å; Q132-L136 VanDerWaalsContact O-N 3.08Å; L133-L136 PolarHBondContact O-N 3.08Å; E134-L136 VanDerWaalsContact C-N 3.34Å; E134-L136 PolarHBondContact O-N 3.22Å; L136-Y140 WeakPolarHBondContact O-CB 3.36Å; L136-Y140 PolarHBondContact O-N 3.46Å; L136-L154 HydrophobicContact CD2-CD2 3.7Å; L136-L154 HydrophobicContact CD2-CG 4.41Å; L136-L154 HydrophobicContact CG-CD2 4.39Å; L136-L160 HydrophobicContact CD1-CD1 3.81Å; L136-V165 HydrophobicContact CD2-CG1 4.22Å; L136-W168 HydrophobicContact CB-CD2 3.93Å; L136-W168 HydrophobicContact CB-CE3 3.94Å; L136-W168 HydrophobicContact CB-CH2 3.76Å; L136-W168 HydrophobicContact CB-CZ2 3.71Å; L136-W168 HydrophobicContact CB-CZ3 3.86Å; L136-W168 HydrophobicContact CD1-CD2 4.04Å; L136-W168 HydrophobicContact CD1-CG 3.96Å; L136-W168 HydrophobicContact CD2-CB 4.39Å; L136-W168 HydrophobicContact CD2-CD2 3.89Å; L136-W168 HydrophobicContact CD2-CE3 3.76Å; L136-W168 HydrophobicContact CD2-CG 4.16Å; L136-W168 HydrophobicContact CD2-CZ3 4.37Å; L136-W168 HydrophobicContact CG-CD2 4.19Å; L136-W168 HydrophobicContact CG-CE3 4.34Å; L136-W168 WeakPolarHBondContact O-CH2 3.43Å; L136-W168 WeakPolarHBondContact O-CZ3 3.22Å; L136-F169 HydrophobicContact CD2-CD2 4.42Å; L136-F169 HydrophobicContact CD2-CE2 3.88Å
137K97Very high95.8Very high84 Ų8474.2 Ų74.237%0.36540%0.396SS..Hα-helixtrans-60.7-45.8175.3-80.7-179.3176.5-172.10110.9L133 E134 Y140 S141 D246L133-K137 HydrophobicContact CG-CG 4.48Å; L133-K137 WeakPolarHBondContact O-CB 3.16Å; L133-K137 WeakPolarHBondContact O-CG 3.28Å; L133-K137 PolarHBondContact O-N 2.99Å; E134-K137 PolarHBondContact O-N 3.22Å; K137-Y140 WeakPolarHBondContact O-CB 3.38Å; K137-Y140 PolarHBondContact O-N 3.1Å; K137-S141 PolarHBondContact O-N 3.35Å; K137-S141 VanDerWaalsContact O-N 3.09Å; K137-S141 PolarHBondContact O-OG 3.47Å; K137-D246 IonicContact NZ-OD2 3.02Å; K137-D246 PolarHBondContact NZ-OD2 2.7Å
138R96.8Very high96Very high119 Ų11976.4 Ų76.445%0.44939%0.389SS..Hα-helixtrans-57.1-54.5179.2-177.7-177.372.6-140.12.3112.1E134 A135 Y140 S141 E142 E157E134-R138 WeakPolarHBondContact O-CB 3.05Å; E134-R138 PolarHBondContact O-N 2.86Å; A135-R138 PolarHBondContact O-N 3.13Å; R138-Y140 VanDerWaalsContact C-N 3.25Å; R138-Y140 PolarHBondContact O-N 2.85Å; R138-S141 PolarHBondContact O-N 2.87Å; R138-S141 PolarHBondContact O-OG 2.64Å; R138-E142 PolarHBondContact O-N 3.22Å; R138-E157 IonicContact NH2-OE2 2.69Å; R138-E157 PolarHBondContact NH2-OE2 2.84Å
139V97.1Very high96.2Very high10 Ų1079.8 Ų79.86%0.06140%0.404CS..Hα-helixtrans-65-30.6178.51780000111.5A135 E142 S143 P146 I150 L154 F169A135-V139 PolarHBondContact O-N 3.03Å; V139-E142 PolarHBondContact O-N 3.35Å; V139-S143 CarbonylContact O-C 3.29Å; V139-S143 PolarHBondContact O-N 3.5Å; V139-P146 HydrophobicContact CG1-CB 4.24Å; V139-I150 HydrophobicContact CG1-CG2 3.66Å; V139-L154 HydrophobicContact CB-CD2 4.11Å; V139-L154 HydrophobicContact CG1-CD2 4.33Å; V139-L154 HydrophobicContact CG2-CD1 4.08Å; V139-L154 HydrophobicContact CG2-CD2 4.08Å; V139-F169 HydrophobicContact CB-CZ 4.11Å; V139-F169 HydrophobicContact CG1-CE1 4.48Å; V139-F169 HydrophobicContact CG1-CZ 3.83Å
140Y97.4Very high96.3Very high20 Ų2079.1 Ų79.18%0.07839%0.394CS..Hα-helixtrans-65.9-37.5174.6-167.3-90.3000113.6L136 K137 R138 E142 S143 P144 W168 F169 R172 R173 E176L136-Y140 WeakPolarHBondContact O-CB 3.36Å; L136-Y140 PolarHBondContact O-N 3.46Å; K137-Y140 WeakPolarHBondContact O-CB 3.38Å; K137-Y140 PolarHBondContact O-N 3.1Å; R138-Y140 VanDerWaalsContact C-N 3.25Å; R138-Y140 PolarHBondContact O-N 2.85Å; Y140-E142 VanDerWaalsContact C-N 3.33Å; Y140-S143 CarbonylContact O-C 3.59Å; Y140-P144 HydrophobicContact CD2-CB 4.48Å; Y140-P144 HydrophobicContact CE1-CB 4.36Å; Y140-P144 HydrophobicContact CE1-CG 4.47Å; Y140-P144 HydrophobicContact CE2-CB 3.99Å; Y140-P144 WeakPolarHBondContact O-CD 3.4Å; Y140-W168 HydrophobicContact CD2-CH2 4.33Å; Y140-W168 AromaticContact CD2-CZ3 3.91Å; Y140-W168 HydrophobicContact CD2-CZ3 3.91Å; Y140-W168 HydrophobicContact CG-CH2 4.32Å; Y140-W168 HydrophobicContact CG-CZ3 4.27Å; Y140-F169 AromaticContact CD2-CD1 3.69Å; Y140-F169 HydrophobicContact CD2-CD1 3.69Å; Y140-F169 AromaticContact CD2-CE1 3.73Å; Y140-F169 HydrophobicContact CD2-CE1 3.73Å; Y140-F169 HydrophobicContact CE2-CD1 4.32Å; Y140-F169 HydrophobicContact CG-CE1 4.38Å; Y140-R172 HydrophobicContact CD1-CG 4.2Å; Y140-R172 HydrophobicContact CD2-CB 4.22Å; Y140-R172 HydrophobicContact CD2-CG 3.59Å; Y140-R172 HydrophobicContact CE1-CG 3.96Å; Y140-R172 HydrophobicContact CE2-CB 3.85Å; Y140-R172 HydrophobicContact CE2-CG 3.3Å; Y140-R172 HydrophobicContact CG-CG 4.04Å; Y140-R173 HydrophobicContact CE2-CG 3.95Å; Y140-E176 PolarHBondContact OH-OE2 2.92Å
141S95.7Very high96.4Very high99 Ų9978.6 Ų78.669%0.69238%0.378SS*.Hα-helixtrans-67.8-32.3174.932.60000113.1K137 R138K137-S141 PolarHBondContact O-N 3.35Å; K137-S141 VanDerWaalsContact O-N 3.09Å; K137-S141 PolarHBondContact O-OG 3.47Å; R138-S141 PolarHBondContact O-N 2.87Å; R138-S141 PolarHBondContact O-OG 2.64Å
142E95.3Very high96.5Very high137 Ų13773.7 Ų73.764%0.6436%0.357SS*.Hα-helixtrans-76.7-47.4175.5-66162.7-156.400111.6R138 V139 Y140R138-E142 PolarHBondContact O-N 3.22Å; V139-E142 PolarHBondContact O-N 3.35Å; Y140-E142 VanDerWaalsContact C-N 3.33Å
143S93.7Very high96.5Very high37 Ų3775.6 Ų75.626%0.25937%0.366SS..  trans-147.1108.817864.10000112.2V139 Y140 K145 P146V139-S143 CarbonylContact O-C 3.29Å; V139-S143 PolarHBondContact O-N 3.5Å; Y140-S143 CarbonylContact O-C 3.59Å; S143-K145 PolarHBondContact O-N 3.41Å; S143-K145 VanDerWaalsContact O-N 3.09Å; S143-P146 WeakPolarHBondContact O-CD 3.35Å
144P95.7Very high96.5Very high61 Ų6172.8 Ų72.840%0.39635%0.352SS..SBendtrans-64.3-14.2175-26.535.8000114.5Y140 R173Y140-P144 HydrophobicContact CD2-CB 4.48Å; Y140-P144 HydrophobicContact CE1-CB 4.36Å; Y140-P144 HydrophobicContact CE1-CG 4.47Å; Y140-P144 HydrophobicContact CE2-CB 3.99Å; Y140-P144 WeakPolarHBondContact O-CD 3.4Å; P144-R173 WeakPolarHBondContact O-CD 3.2Å; P144-R173 PolarHBondContact O-NH1 3.34Å
145K96.5Very high96.5Very high168 Ų16868.1 Ų68.173%0.7333%0.332SS*.SBendtrans-128.970.6177.1-66.3179.3-178.31760109.6S143 V147S143-K145 PolarHBondContact O-N 3.41Å; S143-K145 VanDerWaalsContact O-N 3.09Å; K145-V147 PolarHBondContact O-N 3.01Å
146P96.3Very high96.5Very high7 Ų775.3 Ų75.35%0.04536%0.364CS..  trans-64.9137.5-176.228.3-36.1000111.3V139 S143 I150 R151 F169V139-P146 HydrophobicContact CG1-CB 4.24Å; S143-P146 WeakPolarHBondContact O-CD 3.35Å; P146-I150 HydrophobicContact CB-CB 4.17Å; P146-I150 HydrophobicContact CB-CG2 3.87Å; P146-R151 HydrophobicContact CB-CG 4.02Å; P146-R151 HydrophobicContact CG-CG 3.63Å; P146-R151 PolarHBondContact O-NE 2.75Å; P146-F169 VanDerWaalsContact CD-CD1 3.4Å; P146-F169 HydrophobicContact CG-CD1 3.7Å; P146-F169 HydrophobicContact CG-CD2 4.05Å; P146-F169 HydrophobicContact CG-CE1 3.57Å; P146-F169 HydrophobicContact CG-CE2 3.95Å; P146-F169 HydrophobicContact CG-CG 3.96Å; P146-F169 HydrophobicContact CG-CZ 3.73Å
147V96.4Very high96.4Very high98 Ų9880.1 Ų80.159%0.59439%0.386SS*.  trans-61166.2174.2-62.40000111.1K145 H149 I150 R151K145-V147 PolarHBondContact O-N 3.01Å; V147-H149 PolarHBondContact O-N 2.89Å; V147-I150 HydrophobicContact CG2-CB 4.17Å; V147-I150 HydrophobicContact CG2-CG1 3.63Å; V147-I150 PolarHBondContact O-N 2.94Å; V147-R151 PolarHBondContact O-N 2.71Å
148R96Very high96.4Very high176 Ų17676.8 Ų76.866%0.66437%0.373SS*.Hα-helixtrans-53.3-51.8-175.7-179.8179.6167.5-176.7-6.8112.3I150 R151 E152R148-I150 PolarHBondContact O-N 3.15Å; R148-R151 WeakPolarHBondContact O-CA 3.22Å; R148-R151 WeakPolarHBondContact O-CB 3.31Å; R148-R151 PolarHBondContact O-N 3.25Å; R148-E152 HydrophobicContact CG-CG 4.48Å; R148-E152 IonicContact CZ-OE1 3.24Å; R148-E152 VanDerWaalsContact CZ-OE1 3.25Å; R148-E152 IonicContact NE-OE1 3.81Å; R148-E152 PolarHBondContact NE-OE1 2.89Å; R148-E152 IonicContact NE-OE2 2.86Å; R148-E152 IonicContact NH2-OE1 3.25Å; R148-E152 PolarHBondContact NH2-OE1 3.04Å; R148-E152 PolarHBondContact O-N 2.9Å
149H97Very high96.3Very high125 Ų12574.3 Ų74.358%0.57939%0.385SS*.Hα-helixtrans-59.2-42.8-177.5-178.452.7000113.5V147 R151 E152 Q153V147-H149 PolarHBondContact O-N 2.89Å; H149-R151 VanDerWaalsContact C-N 3.27Å; H149-R151 PolarHBondContact O-N 3.46Å; H149-E152 WeakPolarHBondContact O-CB 3.48Å; H149-E152 PolarHBondContact O-N 2.84Å; H149-Q153 PolarHBondContact O-N 3.24Å
150I96.7Very high96.2Very high55 Ų5574.7 Ų74.728%0.28239%0.386SS..Hα-helixtrans-64.3-32.5176.9-61.2-62.6000111.6V139 P146 V147 R148 L154V139-I150 HydrophobicContact CG1-CG2 3.66Å; P146-I150 HydrophobicContact CB-CB 4.17Å; P146-I150 HydrophobicContact CB-CG2 3.87Å; V147-I150 HydrophobicContact CG2-CB 4.17Å; V147-I150 HydrophobicContact CG2-CG1 3.63Å; V147-I150 PolarHBondContact O-N 2.94Å; R148-I150 PolarHBondContact O-N 3.15Å; I150-L154 VanDerWaalsContact O-CB 3.28Å; I150-L154 WeakPolarHBondContact O-CB 3.49Å; I150-L154 PolarHBondContact O-N 3.38Å
151R97.4Very high96.1Very high56 Ų5678.6 Ų78.621%0.21141%0.409CS..Hα-helixtrans-72.7-31.8172.5-70.3-175.5-83.4141.4-2.6112.6P146 V147 R148 H149 S155 M162 V165P146-R151 HydrophobicContact CB-CG 4.02Å; P146-R151 HydrophobicContact CG-CG 3.63Å; P146-R151 PolarHBondContact O-NE 2.75Å; V147-R151 PolarHBondContact O-N 2.71Å; R148-R151 WeakPolarHBondContact O-CA 3.22Å; R148-R151 WeakPolarHBondContact O-CB 3.31Å; R148-R151 PolarHBondContact O-N 3.25Å; H149-R151 VanDerWaalsContact C-N 3.27Å; H149-R151 PolarHBondContact O-N 3.46Å; R151-S155 WeakPolarHBondContact O-CB 3.33Å; R151-S155 PolarHBondContact O-N 3.35Å; R151-M162 VanDerWaalsContact C-CE 3.47Å; R151-M162 HydrophobicContact CB-CE 4.06Å; R151-M162 HydrophobicContact CB-SD 4.02Å; R151-M162 WeakPolarHBondContact O-CE 3.47Å; R151-V165 HydrophobicContact CB-CG1 4.33Å; R151-V165 HydrophobicContact CG-CG1 4.29Å
152E97.4Very high96.1Very high58 Ų5876.5 Ų76.527%0.27139%0.389SS..Hα-helixtrans-68.3-51.5176-71.9166.7157.100109.6R148 H149 L154 S155 E156 M162R148-E152 HydrophobicContact CG-CG 4.48Å; R148-E152 IonicContact CZ-OE1 3.24Å; R148-E152 VanDerWaalsContact CZ-OE1 3.25Å; R148-E152 IonicContact NE-OE1 3.81Å; R148-E152 PolarHBondContact NE-OE1 2.89Å; R148-E152 IonicContact NE-OE2 2.86Å; R148-E152 IonicContact NH2-OE1 3.25Å; R148-E152 PolarHBondContact NH2-OE1 3.04Å; R148-E152 PolarHBondContact O-N 2.9Å; H149-E152 WeakPolarHBondContact O-CB 3.48Å; H149-E152 PolarHBondContact O-N 2.84Å; E152-L154 VanDerWaalsContact C-N 3.31Å; E152-L154 PolarHBondContact O-N 3.2Å; E152-S155 VanDerWaalsContact O-CB 3.32Å; E152-S155 WeakPolarHBondContact O-CB 3.5Å; E152-S155 PolarHBondContact O-N 3.43Å; E152-S155 VanDerWaalsContact O-N 3.11Å; E152-E156 PolarHBondContact O-N 2.99Å; E152-M162 VanDerWaalsContact CA-CE 3.48Å; E152-M162 HydrophobicContact CB-CE 4.05Å; E152-M162 HydrophobicContact CG-CE 3.38Å
153Q96.5Very high96.1Very high83 Ų8378.2 Ų78.239%0.38839%0.389SS..Hα-helixtrans-54.5-44.5172.4-178.5-177.6-11.600112.4H149 S155 E156 E157H149-Q153 PolarHBondContact O-N 3.24Å; Q153-S155 VanDerWaalsContact C-N 3.34Å; Q153-S155 PolarHBondContact O-N 3.15Å; Q153-E156 PolarHBondContact O-N 3.01Å; Q153-E157 HydrophobicContact CG-CG 4.4Å; Q153-E157 WeakPolarHBondContact CG-OE1 2.95Å; Q153-E157 PolarHBondContact NE2-OE1 2.98Å; Q153-E157 WeakPolarHBondContact O-CB 3.46Å; Q153-E157 WeakPolarHBondContact O-CG 3.46Å; Q153-E157 PolarHBondContact O-N 3.31Å
154L96.9Very high96.3Very high3 Ų377.7 Ų77.72%0.01639%0.385CS..Hα-helixtrans-70.6-30-179.6-170.163.1000113.1A135 L136 V139 I150 E152 T158 V165 F169A135-L154 HydrophobicContact CB-CD1 3.91Å; L136-L154 HydrophobicContact CD2-CD2 3.7Å; L136-L154 HydrophobicContact CD2-CG 4.41Å; L136-L154 HydrophobicContact CG-CD2 4.39Å; V139-L154 HydrophobicContact CB-CD2 4.11Å; V139-L154 HydrophobicContact CG1-CD2 4.33Å; V139-L154 HydrophobicContact CG2-CD1 4.08Å; V139-L154 HydrophobicContact CG2-CD2 4.08Å; I150-L154 VanDerWaalsContact O-CB 3.28Å; I150-L154 WeakPolarHBondContact O-CB 3.49Å; I150-L154 PolarHBondContact O-N 3.38Å; E152-L154 VanDerWaalsContact C-N 3.31Å; E152-L154 PolarHBondContact O-N 3.2Å; L154-T158 HydrophobicContact CD1-CG2 3.85Å; L154-T158 HydrophobicContact CG-CG2 4.27Å; L154-T158 WeakPolarHBondContact O-CB 3.45Å; L154-T158 WeakPolarHBondContact O-CG2 3.47Å; L154-T158 PolarHBondContact O-N 2.85Å; L154-T158 PolarHBondContact O-OG1 3.35Å; L154-V165 HydrophobicContact CD2-CG1 4.1Å; L154-F169 HydrophobicContact CD2-CE2 3.78Å; L154-F169 HydrophobicContact CD2-CZ 4.18Å
155S97.2Very high96.3Very high24 Ų2474.8 Ų74.817%0.16837%0.366CS..Hα-helixtrans-63.5-44.8171.6-176.50000110.4R151 E152 Q153 G159 L160 M162R151-S155 WeakPolarHBondContact O-CB 3.33Å; R151-S155 PolarHBondContact O-N 3.35Å; E152-S155 VanDerWaalsContact O-CB 3.32Å; E152-S155 WeakPolarHBondContact O-CB 3.5Å; E152-S155 PolarHBondContact O-N 3.43Å; E152-S155 VanDerWaalsContact O-N 3.11Å; Q153-S155 VanDerWaalsContact C-N 3.34Å; Q153-S155 PolarHBondContact O-N 3.15Å; S155-G159 WeakPolarHBondContact O-CA 3.37Å; S155-G159 PolarHBondContact O-N 3.35Å; S155-L160 WeakPolarHBondContact CA-O 3.33Å; S155-L160 WeakPolarHBondContact CB-O 3.44Å; S155-L160 PolarHBondContact O-N 3.42Å; S155-L160 PolarHBondContact OG-O 3.17Å; S155-M162 PolarHBondContact OG-N 2.72Å
156E96.8Very high96.3Very high162 Ų16270.1 Ų70.176%0.75735%0.346SS*.Hα-helixtrans-65.7-48.8175.1-66.6173-174.600112.4E152 Q153 T158 G159E152-E156 PolarHBondContact O-N 2.99Å; Q153-E156 PolarHBondContact O-N 3.01Å; E156-T158 VanDerWaalsContact C-N 3.33Å; E156-T158 PolarHBondContact O-N 3.09Å; E156-G159 PolarHBondContact O-N 3.09Å
157E95.8Very high96.3Very high100 Ų10072 Ų7247%0.46736%0.358SS..Hα-helixtrans-61.9-35.8179.6-79.8-176-155.200113.4R138 Q153R138-E157 IonicContact NH2-OE2 2.69Å; R138-E157 PolarHBondContact NH2-OE2 2.84Å; Q153-E157 HydrophobicContact CG-CG 4.4Å; Q153-E157 WeakPolarHBondContact CG-OE1 2.95Å; Q153-E157 PolarHBondContact NE2-OE1 2.98Å; Q153-E157 WeakPolarHBondContact O-CB 3.46Å; Q153-E157 WeakPolarHBondContact O-CG 3.46Å; Q153-E157 PolarHBondContact O-N 3.31Å
158T95.2Very high96.4Very high15 Ų1568.9 Ų68.99%0.09234%0.335CS..Hα-helixtrans-95.7-14.4-176.3610000113.9Q132 A135 L154 E156 L160Q132-T158 HydrophobicContact CB-CG2 4.44Å; Q132-T158 PolarHBondContact NE2-O 2.88Å; A135-T158 HydrophobicContact CB-CG2 3.8Å; L154-T158 HydrophobicContact CD1-CG2 3.85Å; L154-T158 HydrophobicContact CG-CG2 4.27Å; L154-T158 WeakPolarHBondContact O-CB 3.45Å; L154-T158 WeakPolarHBondContact O-CG2 3.47Å; L154-T158 PolarHBondContact O-N 2.85Å; L154-T158 PolarHBondContact O-OG1 3.35Å; E156-T158 VanDerWaalsContact C-N 3.33Å; E156-T158 PolarHBondContact O-N 3.09Å; T158-L160 PolarHBondContact O-N 2.7Å; T158-L160 WeakPolarHBondContact OG1-CB 3.15Å; T158-L160 WeakPolarHBondContact OG1-CG 3.23Å; T158-L160 PolarHBondContact OG1-N 3.07Å
159G95.6Very high96.5Very high67 Ų6760.7 Ų60.769%0.69130%0.304SS*.THydrogen-bonded Turntrans64.518.5-169.600000113.6S155 E156S155-G159 WeakPolarHBondContact O-CA 3.37Å; S155-G159 PolarHBondContact O-N 3.35Å; E156-G159 PolarHBondContact O-N 3.09Å
160L95.3Very high96.4Very high17 Ų1758.8 Ų58.89%0.08930%0.296CS..  trans-91.6140.9175.5-65.4175.6000109.9I128 Q132 L136 S155 T158 V164 V165I128-L160 HydrophobicContact CG1-CD1 4.42Å; I128-L160 HydrophobicContact CG1-CD2 4.4Å; I128-L160 HydrophobicContact CG2-CD1 4.24Å; Q132-L160 HydrophobicContact CB-CD1 4.19Å; L136-L160 HydrophobicContact CD1-CD1 3.81Å; S155-L160 WeakPolarHBondContact CA-O 3.33Å; S155-L160 WeakPolarHBondContact CB-O 3.44Å; S155-L160 PolarHBondContact O-N 3.42Å; S155-L160 PolarHBondContact OG-O 3.17Å; T158-L160 PolarHBondContact O-N 2.7Å; T158-L160 WeakPolarHBondContact OG1-CB 3.15Å; T158-L160 WeakPolarHBondContact OG1-CG 3.23Å; T158-L160 PolarHBondContact OG1-N 3.07Å; L160-V164 HydrophobicContact CB-CG1 4.45Å; L160-V164 HydrophobicContact CD1-CG1 4.42Å; L160-V164 HydrophobicContact CD2-CG1 4.28Å; L160-V165 HydrophobicContact CB-CG2 3.96Å
161D95.7Very high96.4Very high103 Ų10360.9 Ų60.955%0.55131%0.307SS*.  trans-57.1141.2172.3179.7-84000111.6R163 V164 V165D161-R163 PolarHBondContact O-N 2.86Å; D161-R163 VanDerWaalsContact O-N 3.1Å; D161-R163 WeakPolarHBondContact OD1-CA 3.44Å; D161-R163 WeakPolarHBondContact OD1-CB 3.31Å; D161-R163 PolarHBondContact OD1-N 3.3Å; D161-V164 HydrophobicContact CB-CG2 4.12Å; D161-V164 WeakPolarHBondContact O-CA 3.4Å; D161-V164 WeakPolarHBondContact O-CB 3.33Å; D161-V164 PolarHBondContact O-N 3.36Å; D161-V165 PolarHBondContact O-N 2.87Å
162M95.7Very high96.4Very high55 Ų5563.2 Ų63.227%0.27132%0.316SS..Hα-helixtrans-47.2-40.7178.2169.553.158.600113R151 E152 S155 V165 Q166R151-M162 VanDerWaalsContact C-CE 3.47Å; R151-M162 HydrophobicContact CB-CE 4.06Å; R151-M162 HydrophobicContact CB-SD 4.02Å; R151-M162 WeakPolarHBondContact O-CE 3.47Å; E152-M162 VanDerWaalsContact CA-CE 3.48Å; E152-M162 HydrophobicContact CB-CE 4.05Å; E152-M162 HydrophobicContact CG-CE 3.38Å; S155-M162 PolarHBondContact OG-N 2.72Å; M162-V165 PolarHBondContact O-N 3.1Å; M162-Q166 WeakPolarHBondContact O-CB 3.47Å; M162-Q166 PolarHBondContact O-N 2.99Å
163R95.3Very high96.4Very high172 Ų17264.3 Ų64.365%0.64932%0.318SS*.Hα-helixtrans-67.2-37.8177.4-171.8175.6176.875.93.9111.6D161 Q166 V167D161-R163 PolarHBondContact O-N 2.86Å; D161-R163 VanDerWaalsContact O-N 3.1Å; D161-R163 WeakPolarHBondContact OD1-CA 3.44Å; D161-R163 WeakPolarHBondContact OD1-CB 3.31Å; D161-R163 PolarHBondContact OD1-N 3.3Å; R163-Q166 PolarHBondContact O-N 3.24Å; R163-V167 HydrophobicContact CG-CG2 4.24Å; R163-V167 VanDerWaalsContact O-CB 3.26Å; R163-V167 WeakPolarHBondContact O-CB 3.44Å; R163-V167 WeakPolarHBondContact O-CG2 3.47Å; R163-V167 PolarHBondContact O-N 3.09Å
164V96.2Very high96.3Very high27 Ų2762.4 Ų62.416%0.16432%0.316CS..Hα-helixtrans-64.5-44.7175.6177.80000110.3T126 I128 L160 D161 V167 W168T126-V164 HydrophobicContact CG2-CG2 4.07Å; I128-V164 HydrophobicContact CD1-CG1 4.05Å; I128-V164 HydrophobicContact CG1-CG1 4.36Å; L160-V164 HydrophobicContact CB-CG1 4.45Å; L160-V164 HydrophobicContact CD1-CG1 4.42Å; L160-V164 HydrophobicContact CD2-CG1 4.28Å; D161-V164 HydrophobicContact CB-CG2 4.12Å; D161-V164 WeakPolarHBondContact O-CA 3.4Å; D161-V164 WeakPolarHBondContact O-CB 3.33Å; D161-V164 PolarHBondContact O-N 3.36Å; V164-V167 PolarHBondContact O-N 3.49Å; V164-W168 WeakPolarHBondContact O-CB 3.19Å; V164-W168 PolarHBondContact O-N 3.39Å
165V96.9Very high96.2Very high0 Ų068.6 Ų68.60%034%0.343CS..Hα-helixtrans-58.9-51.7173.9178.30000110.5L136 R151 L154 L160 D161 M162 V167 W168 F169L136-V165 HydrophobicContact CD2-CG1 4.22Å; R151-V165 HydrophobicContact CB-CG1 4.33Å; R151-V165 HydrophobicContact CG-CG1 4.29Å; L154-V165 HydrophobicContact CD2-CG1 4.1Å; L160-V165 HydrophobicContact CB-CG2 3.96Å; D161-V165 PolarHBondContact O-N 2.87Å; M162-V165 PolarHBondContact O-N 3.1Å; V165-V167 PolarHBondContact O-N 2.69Å; V165-W168 PolarHBondContact O-N 3.3Å; V165-F169 HydrophobicContact CG1-CD2 4.07Å; V165-F169 HydrophobicContact CG1-CE2 4.06Å; V165-F169 WeakPolarHBondContact O-CD2 3.28Å; V165-F169 PolarHBondContact O-N 3.49Å; V165-F169 VanDerWaalsContact O-N 3.09Å
166Q96.6Very high96Very high70 Ų7070.5 Ų70.533%0.32735%0.35SS..Hα-helixtrans-58.4-45.4178.7175.4168.8-32.900112.8M162 R163 F169 Q170M162-Q166 WeakPolarHBondContact O-CB 3.47Å; M162-Q166 PolarHBondContact O-N 2.99Å; R163-Q166 PolarHBondContact O-N 3.24Å; Q166-F169 PolarHBondContact O-N 2.72Å; Q166-Q170 WeakPolarHBondContact O-CG 3.37Å; Q166-Q170 PolarHBondContact O-N 3.31Å
167V96.3Very high95.8Very high46 Ų4670.6 Ų70.628%0.27935%0.347SS..Hα-helixtrans-66.7-36.3178.31680000111.1R163 V164 V165 Q170 N171R163-V167 HydrophobicContact CG-CG2 4.24Å; R163-V167 VanDerWaalsContact O-CB 3.26Å; R163-V167 WeakPolarHBondContact O-CB 3.44Å; R163-V167 WeakPolarHBondContact O-CG2 3.47Å; R163-V167 PolarHBondContact O-N 3.09Å; V164-V167 PolarHBondContact O-N 3.49Å; V165-V167 PolarHBondContact O-N 2.69Å; V167-Q170 PolarHBondContact O-N 3.28Å; V167-N171 WeakPolarHBondContact CG1-ND2 3.33Å; V167-N171 VanDerWaalsContact O-CB 3.3Å; V167-N171 WeakPolarHBondContact O-CB 3.41Å; V167-N171 VanDerWaalsContact O-CG 3.23Å; V167-N171 PolarHBondContact O-N 3.33Å; V167-N171 PolarHBondContact O-ND2 3.17Å
168W97.3Very high95.6Very high33 Ų3374.4 Ų74.413%0.12536%0.357CS..Hα-helixtrans-60.7-48.5174.1-174.996.2000111.5I128 L133 L136 Y140 V164 V165 Q170 N171 R172I128-W168 HydrophobicContact CD1-CG 4.43Å; L133-W168 HydrophobicContact CD1-CZ2 3.81Å; L133-W168 VanDerWaalsContact CD1-NE1 3.35Å; L136-W168 HydrophobicContact CB-CD2 3.93Å; L136-W168 HydrophobicContact CB-CE3 3.94Å; L136-W168 HydrophobicContact CB-CH2 3.76Å; L136-W168 HydrophobicContact CB-CZ2 3.71Å; L136-W168 HydrophobicContact CB-CZ3 3.86Å; L136-W168 HydrophobicContact CD1-CD2 4.04Å; L136-W168 HydrophobicContact CD1-CG 3.96Å; L136-W168 HydrophobicContact CD2-CB 4.39Å; L136-W168 HydrophobicContact CD2-CD2 3.89Å; L136-W168 HydrophobicContact CD2-CE3 3.76Å; L136-W168 HydrophobicContact CD2-CG 4.16Å; L136-W168 HydrophobicContact CD2-CZ3 4.37Å; L136-W168 HydrophobicContact CG-CD2 4.19Å; L136-W168 HydrophobicContact CG-CE3 4.34Å; L136-W168 WeakPolarHBondContact O-CH2 3.43Å; L136-W168 WeakPolarHBondContact O-CZ3 3.22Å; Y140-W168 HydrophobicContact CD2-CH2 4.33Å; Y140-W168 AromaticContact CD2-CZ3 3.91Å; Y140-W168 HydrophobicContact CD2-CZ3 3.91Å; Y140-W168 HydrophobicContact CG-CH2 4.32Å; Y140-W168 HydrophobicContact CG-CZ3 4.27Å; V164-W168 WeakPolarHBondContact O-CB 3.19Å; V164-W168 PolarHBondContact O-N 3.39Å; V165-W168 PolarHBondContact O-N 3.3Å; W168-Q170 VanDerWaalsContact C-N 3.34Å; W168-Q170 PolarHBondContact O-N 3.31Å; W168-N171 PolarHBondContact O-N 2.8Å; W168-R172 HydrophobicContact CE3-CB 4.3Å; W168-R172 HydrophobicContact CH2-CB 4.3Å; W168-R172 HydrophobicContact CH2-CG 3.99Å; W168-R172 HydrophobicContact CZ2-CG 4.42Å; W168-R172 HydrophobicContact CZ3-CB 4.17Å; W168-R172 HydrophobicContact CZ3-CG 4.21Å; W168-R172 VanDerWaalsContact O-CB 3.28Å; W168-R172 WeakPolarHBondContact O-CB 3.08Å; W168-R172 PolarHBondContact O-N 3.44Å
169F98Very high95.2Very high3 Ų378.7 Ų78.71%0.01338%0.379CS..Hα-helixtrans-63.7-37.3176.9-85.6-87.4000112.6L136 V139 Y140 P146 L154 V165 Q166 R173L136-F169 HydrophobicContact CD2-CD2 4.42Å; L136-F169 HydrophobicContact CD2-CE2 3.88Å; V139-F169 HydrophobicContact CB-CZ 4.11Å; V139-F169 HydrophobicContact CG1-CE1 4.48Å; V139-F169 HydrophobicContact CG1-CZ 3.83Å; Y140-F169 AromaticContact CD2-CD1 3.69Å; Y140-F169 HydrophobicContact CD2-CD1 3.69Å; Y140-F169 AromaticContact CD2-CE1 3.73Å; Y140-F169 HydrophobicContact CD2-CE1 3.73Å; Y140-F169 HydrophobicContact CE2-CD1 4.32Å; Y140-F169 HydrophobicContact CG-CE1 4.38Å; P146-F169 VanDerWaalsContact CD-CD1 3.4Å; P146-F169 HydrophobicContact CG-CD1 3.7Å; P146-F169 HydrophobicContact CG-CD2 4.05Å; P146-F169 HydrophobicContact CG-CE1 3.57Å; P146-F169 HydrophobicContact CG-CE2 3.95Å; P146-F169 HydrophobicContact CG-CG 3.96Å; P146-F169 HydrophobicContact CG-CZ 3.73Å; L154-F169 HydrophobicContact CD2-CE2 3.78Å; L154-F169 HydrophobicContact CD2-CZ 4.18Å; V165-F169 HydrophobicContact CG1-CD2 4.07Å; V165-F169 HydrophobicContact CG1-CE2 4.06Å; V165-F169 WeakPolarHBondContact O-CD2 3.28Å; V165-F169 PolarHBondContact O-N 3.49Å; V165-F169 VanDerWaalsContact O-N 3.09Å; Q166-F169 PolarHBondContact O-N 2.72Å; F169-R173 WeakPolarHBondContact O-CG 3.46Å; F169-R173 PolarHBondContact O-N 3.38Å; F169-R173 VanDerWaalsContact O-N 3.16Å
170Q96.3Very high94.8Very high85 Ų8582.3 Ų82.340%0.39738%0.376SS..Hα-helixtrans-62.9-50173.3-72.6176.2-2.700111.4Q166 V167 W168 R172 R173 A174Q166-Q170 WeakPolarHBondContact O-CG 3.37Å; Q166-Q170 PolarHBondContact O-N 3.31Å; V167-Q170 PolarHBondContact O-N 3.28Å; W168-Q170 VanDerWaalsContact C-N 3.34Å; W168-Q170 PolarHBondContact O-N 3.31Å; Q170-R172 PolarHBondContact O-N 3.5Å; Q170-R173 PolarHBondContact O-N 3.38Å; Q170-A174 WeakPolarHBondContact O-CB 3.29Å; Q170-A174 PolarHBondContact O-N 3.18Å
171N96.9Very high94.3Very high99 Ų9988.4 Ų88.453%0.52940%0.402SS..Hα-helixtrans-64.7-37.9179.8-73-15.7000112.4V167 W168 A174 K175V167-N171 WeakPolarHBondContact CG1-ND2 3.33Å; V167-N171 VanDerWaalsContact O-CB 3.3Å; V167-N171 WeakPolarHBondContact O-CB 3.41Å; V167-N171 VanDerWaalsContact O-CG 3.23Å; V167-N171 PolarHBondContact O-N 3.33Å; V167-N171 PolarHBondContact O-ND2 3.17Å; W168-N171 PolarHBondContact O-N 2.8Å; N171-A174 PolarHBondContact O-N 3.43Å; N171-K175 WeakPolarHBondContact O-CB 3.18Å; N171-K175 PolarHBondContact O-N 3Å
172R96.4Very high93.5Very high105 Ų10586.5 Ų86.540%0.39639%0.391SS..Hα-helixtrans-63.4-49.6176.9-177.265.5-175.7178.33.4111.2Y140 W168 Q170 A174 K175 E176Y140-R172 HydrophobicContact CD1-CG 4.2Å; Y140-R172 HydrophobicContact CD2-CB 4.22Å; Y140-R172 HydrophobicContact CD2-CG 3.59Å; Y140-R172 HydrophobicContact CE1-CG 3.96Å; Y140-R172 HydrophobicContact CE2-CB 3.85Å; Y140-R172 HydrophobicContact CE2-CG 3.3Å; Y140-R172 HydrophobicContact CG-CG 4.04Å; W168-R172 HydrophobicContact CE3-CB 4.3Å; W168-R172 HydrophobicContact CH2-CB 4.3Å; W168-R172 HydrophobicContact CH2-CG 3.99Å; W168-R172 HydrophobicContact CZ2-CG 4.42Å; W168-R172 HydrophobicContact CZ3-CB 4.17Å; W168-R172 HydrophobicContact CZ3-CG 4.21Å; W168-R172 VanDerWaalsContact O-CB 3.28Å; W168-R172 WeakPolarHBondContact O-CB 3.08Å; W168-R172 PolarHBondContact O-N 3.44Å; Q170-R172 PolarHBondContact O-N 3.5Å; R172-A174 VanDerWaalsContact C-N 3.31Å; R172-A174 PolarHBondContact O-N 3.06Å; R172-K175 PolarHBondContact O-N 2.88Å; R172-E176 PolarHBondContact O-N 3.06Å
173R97.1Very high92.6Very high82 Ų8287.6 Ų87.631%0.30941%0.409SS..Hα-helixtrans-61.2-38.5173.7-70.6-169.5-59.2-91.4-2.1112.3Y140 P144 F169 Q170 E176 K177Y140-R173 HydrophobicContact CE2-CG 3.95Å; P144-R173 WeakPolarHBondContact O-CD 3.2Å; P144-R173 PolarHBondContact O-NH1 3.34Å; F169-R173 WeakPolarHBondContact O-CG 3.46Å; F169-R173 PolarHBondContact O-N 3.38Å; F169-R173 VanDerWaalsContact O-N 3.16Å; Q170-R173 PolarHBondContact O-N 3.38Å; R173-E176 PolarHBondContact O-N 2.98Å; R173-K177 WeakPolarHBondContact O-CB 3.23Å; R173-K177 PolarHBondContact O-N 3.02Å
174A95.4Very high91.2Very high43 Ų4381.5 Ų81.536%0.35540%0.4SS..Hα-helixtrans-65.6-42.7176.900000112.3Q170 N171 R172 K177 R178Q170-A174 WeakPolarHBondContact O-CB 3.29Å; Q170-A174 PolarHBondContact O-N 3.18Å; N171-A174 PolarHBondContact O-N 3.43Å; R172-A174 VanDerWaalsContact C-N 3.31Å; R172-A174 PolarHBondContact O-N 3.06Å; A174-K177 PolarHBondContact O-N 3.29Å; A174-R178 WeakPolarHBondContact O-CG 3.24Å; A174-R178 PolarHBondContact O-N 2.85Å
175K94.4Very high89.5Confident133 Ų13384.9 Ų84.958%0.57841%0.41SS*.Hα-helixtrans-62.6-43.9174.8-175.5169.6179.9172.10111.2N171 R172 K177 R178 L179N171-K175 WeakPolarHBondContact O-CB 3.18Å; N171-K175 PolarHBondContact O-N 3Å; R172-K175 PolarHBondContact O-N 2.88Å; K175-K177 PolarHBondContact O-N 3.33Å; K175-R178 PolarHBondContact O-N 3.05Å; K175-L179 HydrophobicContact CG-CD1 3.96Å; K175-L179 WeakPolarHBondContact O-CG 3.2Å; K175-L179 PolarHBondContact O-N 2.77Å
176E93.3Very high87.5Confident64 Ų6490.4 Ų90.430%0.29944%0.439SS..Hα-helixtrans-61.3-42.5176-164-168138.400112.4Y140 R172 R173 R178 L179 K180Y140-E176 PolarHBondContact OH-OE2 2.92Å; R172-E176 PolarHBondContact O-N 3.06Å; R173-E176 PolarHBondContact O-N 2.98Å; E176-R178 VanDerWaalsContact C-N 3.34Å; E176-R178 PolarHBondContact O-N 3.44Å; E176-L179 PolarHBondContact O-N 2.81Å; E176-K180 HydrophobicContact CG-CD 4.4Å; E176-K180 WeakPolarHBondContact O-CB 3.45Å; E176-K180 WeakPolarHBondContact O-CG 3.21Å; E176-K180 PolarHBondContact O-N 3.23Å; E176-K180 WeakPolarHBondContact OE1-CE 3.49Å; E176-K180 IonicContact OE1-NZ 3.18Å; E176-K180 PolarHBondContact OE1-NZ 2.85Å
177K92.1Very high85.5Confident164 Ų16492.7 Ų92.771%0.71345%0.453SS*.Hα-helixtrans-63.5-36.7175.1-173.8177.2-179.6179.80112.6R173 A174 K175 K181R173-K177 WeakPolarHBondContact O-CB 3.23Å; R173-K177 PolarHBondContact O-N 3.02Å; A174-K177 PolarHBondContact O-N 3.29Å; K175-K177 PolarHBondContact O-N 3.33Å; K177-K181 PolarHBondContact O-N 3.16Å
178R91.5Very high83.1Confident180 Ų180100.1 Ų100.168%0.67948%0.476SS*.Hα-helixtrans-65.6-55.8174.3-72.2177.5-175.4-177.40.6110.7A174 K175 E176 K180 K181 D182A174-R178 WeakPolarHBondContact O-CG 3.24Å; A174-R178 PolarHBondContact O-N 2.85Å; K175-R178 PolarHBondContact O-N 3.05Å; E176-R178 VanDerWaalsContact C-N 3.34Å; E176-R178 PolarHBondContact O-N 3.44Å; R178-K180 VanDerWaalsContact C-N 3.3Å; R178-K180 PolarHBondContact O-N 3.03Å; R178-K181 CarbonylContact O-C 3.51Å; R178-K181 WeakPolarHBondContact O-CA 3.11Å; R178-K181 PolarHBondContact O-N 2.65Å; R178-D182 VanDerWaalsContact O-CG 3.27Å; R178-D182 PolarHBondContact O-N 2.68Å
179L87.8Confident80.9Confident104 Ų104103 Ų10355%0.54550%0.501SS..Hα-helixtrans-48.2-48.5176.9-75.1159.6000112.4K175 E176 K181 D182 A183K175-L179 HydrophobicContact CG-CD1 3.96Å; K175-L179 WeakPolarHBondContact O-CG 3.2Å; K175-L179 PolarHBondContact O-N 2.77Å; E176-L179 PolarHBondContact O-N 2.81Å; L179-K181 VanDerWaalsContact C-N 3.33Å; L179-K181 PolarHBondContact O-N 3.37Å; L179-D182 PolarHBondContact O-N 2.88Å; L179-A183 WeakPolarHBondContact O-CB 3.35Å; L179-A183 PolarHBondContact O-N 3.47Å
180K87.1Confident78.8Confident144 Ų144107.9 Ų107.963%0.62653%0.526SS*.Hα-helixtrans-61.3-34.9176.3-76.2173.3169.3171.60113.6E176 R178E176-K180 HydrophobicContact CG-CD 4.4Å; E176-K180 WeakPolarHBondContact O-CB 3.45Å; E176-K180 WeakPolarHBondContact O-CG 3.21Å; E176-K180 PolarHBondContact O-N 3.23Å; E176-K180 WeakPolarHBondContact OE1-CE 3.49Å; E176-K180 IonicContact OE1-NZ 3.18Å; E176-K180 PolarHBondContact OE1-NZ 2.85Å; R178-K180 VanDerWaalsContact C-N 3.3Å; R178-K180 PolarHBondContact O-N 3.03Å
181K83.3Confident76.7Confident144 Ų144106.4 Ų106.463%0.62653%0.525SS*.Hα-helixtrans-84.1-24.9178-161.1-162167-168.50112.4K177 R178 L179 R185K177-K181 PolarHBondContact O-N 3.16Å; R178-K181 CarbonylContact O-C 3.51Å; R178-K181 WeakPolarHBondContact O-CA 3.11Å; R178-K181 PolarHBondContact O-N 2.65Å; L179-K181 VanDerWaalsContact C-N 3.33Å; L179-K181 PolarHBondContact O-N 3.37Å; K181-R185 VanDerWaalsContact CD-NH2 3.33Å; K181-R185 PolarHBondContact O-NE 2.9Å; K181-R185 PolarHBondContact O-NH2 2.96Å
182D79.5Confident74.3Confident63 Ų63107.9 Ų107.934%0.33753%0.533SS..Hα-helixtrans-79.9-38.4-179.9-63.8-40.7000110.4R178 L179 G184 R185R178-D182 VanDerWaalsContact O-CG 3.27Å; R178-D182 PolarHBondContact O-N 2.68Å; L179-D182 PolarHBondContact O-N 2.88Å; D182-G184 PolarHBondContact O-N 2.73Å; D182-G184 VanDerWaalsContact O-N 3.1Å; D182-R185 PolarHBondContact O-N 3.45Å; D182-R185 IonicContact OD1-CZ 3.81Å; D182-R185 IonicContact OD1-NH1 2.65Å; D182-R185 PolarHBondContact OD1-NH1 2.86Å; D182-R185 IonicContact OD1-NH2 2.67Å; D182-R185 PolarHBondContact OD1-NH2 3.09Å
183A76.5Confident72.1Confident78 Ų78107.5 Ų107.565%0.64555%0.546SS*.THydrogen-bonded Turntrans-53.2-31.4172.400000114L179L179-A183 WeakPolarHBondContact O-CB 3.35Å; L179-A183 PolarHBondContact O-N 3.47Å
184G65.9Low69.9Low44 Ų44109.4 Ų109.445%0.45456%0.562SS.*THydrogen-bonded Turntrans-90.1-12.7175.600000115.7D182D182-G184 PolarHBondContact O-N 2.73Å; D182-G184 VanDerWaalsContact O-N 3.1Å
185R61.3Low67.5Low98 Ų98114 Ų11437%0.3758%0.58SS.*THydrogen-bonded Turntrans-93.9-18.6-171.9-119178.6-61.4119.712.4114.7K181 D182 I187 W188 S189K181-R185 VanDerWaalsContact CD-NH2 3.33Å; K181-R185 PolarHBondContact O-NE 2.9Å; K181-R185 PolarHBondContact O-NH2 2.96Å; D182-R185 PolarHBondContact O-N 3.45Å; D182-R185 IonicContact OD1-CZ 3.81Å; D182-R185 IonicContact OD1-NH1 2.65Å; D182-R185 PolarHBondContact OD1-NH1 2.86Å; D182-R185 IonicContact OD1-NH2 2.67Å; D182-R185 PolarHBondContact OD1-NH2 3.09Å; R185-I187 PolarHBondContact O-N 3.17Å; R185-I187 VanDerWaalsContact O-N 3.09Å; R185-W188 PolarHBondContact O-N 3.06Å; R185-S189 PolarHBondContact O-N 2.81Å
186N55.4Low65.1Low116 Ų116114.6 Ų114.662%0.6259%0.588SS**THydrogen-bonded Turntrans-60.2-19.8176-67.2-7.3000113.2
187I55Low62.5Low119 Ų119116.6 Ų116.661%0.6161%0.609SS**THydrogen-bonded Turntrans-78-36.4175.2-74.6157.8000112R185 S191R185-I187 PolarHBondContact O-N 3.17Å; R185-I187 VanDerWaalsContact O-N 3.09Å; I187-S191 PolarHBondContact O-OG 3.04Å
188W45.5Very low60Low201 Ų201114 Ų11476%0.76161%0.612SS**Hα-helixtrans-86-26.9-174.3-67.958000112.2R185 I190R185-W188 PolarHBondContact O-N 3.06Å; W188-I190 VanDerWaalsContact C-N 3.3Å; W188-I190 PolarHBondContact O-N 2.65Å
189S49.8Very low57.4Low94 Ų94111.8 Ų111.866%0.65762%0.618SS**Hα-helixtrans-77.7-9.7179.3-159.70000114.7R185R185-S189 PolarHBondContact O-N 2.81Å
190I54.7Low55.2Low105 Ų105114.5 Ų114.554%0.53863%0.633SS.*Hα-helixtrans-99-30.7175.5-62.1175.5000110.6W188 D192 S193 L194W188-I190 VanDerWaalsContact C-N 3.3Å; W188-I190 PolarHBondContact O-N 2.65Å; I190-D192 PolarHBondContact O-N 3.37Å; I190-S193 PolarHBondContact O-N 3.18Å; I190-L194 HydrophobicContact CG2-CD1 3.86Å; I190-L194 PolarHBondContact O-N 3.15Å
191S51.1Low52.8Low54 Ų54113.6 Ų113.638%0.37864%0.64SS.*Hα-helixtrans-62.8-40.4-177.6-60.20000113.8I187 S193 L195I187-S191 PolarHBondContact O-OG 3.04Å; S191-S193 VanDerWaalsContact C-N 3.29Å; S191-S193 PolarHBondContact O-N 2.72Å; S191-L195 WeakPolarHBondContact O-CB 3.18Å; S191-L195 VanDerWaalsContact O-CG 3.31Å; S191-L195 WeakPolarHBondContact O-CG 3.08Å; S191-L195 PolarHBondContact O-N 3.4Å
192D48.2Very low50.8Low131 Ų131111.5 Ų111.570%0.70164%0.643SS**Hα-helixtrans-71.5-18.8-178.8-82.6-30.4000114I190I190-D192 PolarHBondContact O-N 3.37Å
193S48.3Very low49.1Very low96 Ų96114.5 Ų114.567%0.67166%0.664SS**Hα-helixtrans-94.9-15.2179.9-60.40000114.4I190 S191I190-S193 PolarHBondContact O-N 3.18Å; S191-S193 VanDerWaalsContact C-N 3.29Å; S191-S193 PolarHBondContact O-N 2.72Å
194L51Low47.5Very low123 Ų123117.6 Ų117.664%0.64467%0.67SS**Hα-helixtrans-111.8-7.8-177.6-66.1178.8000114.3I190I190-L194 HydrophobicContact CG2-CD1 3.86Å; I190-L194 PolarHBondContact O-N 3.15Å
195L45.7Very low46.1Very low139 Ų139120.4 Ų120.473%0.72868%0.683SS**SBendtrans-936.6179.2-67.9175.8000114.8S191S191-L195 WeakPolarHBondContact O-CB 3.18Å; S191-L195 VanDerWaalsContact O-CG 3.31Å; S191-L195 WeakPolarHBondContact O-CG 3.08Å; S191-L195 PolarHBondContact O-N 3.4Å
196I45.1Very low45.2Very low146 Ų146121.5 Ų121.575%0.74971%0.705SS**SBendtrans-111.736.1177.6-38.2-177.4000111.5
197S37.9Very low44.7Very low105 Ų105122.3 Ų122.373%0.73471%0.714SS**SBendtrans-148.114.3179.9-68.70000115.3
198S39.5Very low44.1Very low111 Ų111122.2 Ų122.278%0.77672%0.722SS**  trans-14249.2-176.9-62.80000114.1
199T36.5Very low43.9Very low132 Ų132118.7 Ų118.781%0.8172%0.722SS**  trans-11982.116554.20000110.6
200N41.9Very low43.1Very low162 Ų162119 Ų11987%0.86672%0.723SS**  trans-155.9142.5158.4-101.1-30.8000110.6
201T37.5Very low42.6Very low125 Ų125121 Ų12177%0.76773%0.732SS**  trans86.973.6169.8-23.80000118.7
202S40.7Very low42Very low99 Ų99124.6 Ų124.669%0.69275%0.747SS**  61.3130117.4-45.60000123.3
203T43.2Very low41.5Very low127 Ų127125.4 Ų125.478%0.77975%0.746SS**  trans98.9128.5149.371.40000121.2
204N42.6Very low41Very low143 Ų143124.9 Ų124.977%0.76574%0.743SS**  trans76.287.8150.7-63.5-0.8000121.7
205S37.4Very low40.4Very low103 Ų103128 Ų12872%0.7275%0.748SS**  50.1110.2119.263.10000120.5
206S42.5Very low40Very low121 Ų121128.4 Ų128.485%0.84675%0.749SS**  176.9127.8106.5-73.60000111
207T44.3Very low39.5Very low132 Ų132131.3 Ų131.381%0.8175%0.752SS**  trans-82.1159.7175.846.20000112.3
208P41.8Very low39.3Very low118 Ų118130.2 Ų130.277%0.76675%0.745SS**  -133.4127108.235.8-26.3000113.2
209V41.4Very low39.1Very low126 Ų126130.5 Ų130.576%0.76474%0.742SS**  84.6134.589.7-178.10000113.7
210C34.7Very low38.7Very low101 Ų101129.2 Ų129.268%0.68274%0.737SS**  trans-104.8176.4-166.255.80000114.1
211M43Very low38.4Very low147 Ų147125.8 Ų125.872%0.72473%0.726SS**  trans-165.5101.3147.5-81.2-39151.800106.8
212N38.6Very low38.2Very low130 Ų130126.6 Ų126.670%0.69573%0.726SS**  61.7144.489.674.50.3000114.7
213E37.8Very low38Very low147 Ų147129.2 Ų129.269%0.68773%0.732SS**  cis-136.3146.320.8-78.8-16785.100112.1
214S38.2Very low37.8Very low85 Ų85131.5 Ų131.559%0.59474%0.738SS**  48.5131.783.938.80000115.4
215Y38.4Very low37.7Very low190 Ų190132 Ų13275%0.74574%0.741SS**  cis-143.4138.435-79.1-103.3000111.1
216L36.2Very low37.7Very low146 Ų146131.4 Ų131.476%0.76473%0.726SS**  94133.465.3-123.3176.8000114.5
217Y35.4Very low37.3Very low207 Ų207130.6 Ų130.681%0.81272%0.72SS**  trans78.3138.8167-133.5-103.9000118.6
218S32.8Very low37Very low82 Ų82129.5 Ų129.557%0.57372%0.718SS**  cis168.9154.9-28.5176.70000106.4
219T36.3Very low36.7Very low117 Ų117128.5 Ų128.572%0.71872%0.719SS**  trans90.8154.7156.6-21.80000117
220C27.5Very low36.9Very low105 Ų105128 Ų12871%0.70972%0.718SS**  trans-117.7172.8-142.752.10000115.2
221S35.7Very low36.8Very low90 Ų90134.3 Ų134.363%0.62973%0.729SS**  trans100112.5151.1-46.40000117.8
222N34.5Very low36.5Very low143 Ų143132.9 Ų132.977%0.76573%0.733SS**  trans68.1148.5142.7-50.6-5.1000117
223D36.1Very low36.3Very low154 Ų154129.3 Ų129.382%0.82473%0.726SS**  cis-129.1155.48.3-73.7-77.6000110.9
224L39Very low36.2Very low174 Ų174128.6 Ų128.691%0.91173%0.727SS**  trans-132.291.7-176.7-132169.3000111.6
225D39.7Very low36.3Very low153 Ų153131.7 Ų131.782%0.81874%0.737SS**  trans-88.1130.5172.5-113.2-36.9000111.4
226K37Very low36.3Very low92 Ų92127.6 Ų127.640%0.474%0.736SS.*  trans62.396.9136.1-166.1-176.1-177.8-179.50119.5C283 D284K226-C283 WeakPolarHBondContact CE-O 3.32Å; K226-C283 PolarHBondContact NZ-O 2.86Å; K226-D284 WeakPolarHBondContact CE-OD1 3.4Å; K226-D284 IonicContact NZ-OD1 2.81Å; K226-D284 PolarHBondContact NZ-OD1 3.16Å; K226-D284 IonicContact NZ-OD2 3.02Å; K226-D284 PolarHBondContact NZ-OD2 2.95Å
227S35.3Very low36.2Very low104 Ų104127.5 Ų127.573%0.72774%0.735SS**  172.2142.8117.545.80000115
228S37.5Very low36.3Very low109 Ų109124.3 Ų124.376%0.76273%0.731SS**  trans48.192.2156.2520000119.4
229A36.1Very low36.4Very low96 Ų96127.7 Ų127.779%0.79374%0.742SS**PPolyproline II helixtrans-71.1128.7155.200000110.4
230P44.4Very low36.3Very low116 Ų116128.9 Ų128.975%0.75374%0.743SS**PPolyproline II helixtrans-77.5127.6172.130.2-31.5000110.5C232P230-C232 PolarHBondContact O-N 2.92Å
231Y34.1Very low36.5Very low233 Ų233131 Ų13191%0.91475%0.748SS**PPolyproline II helixtrans-47.6119.8176.4-103.1-115.4000113.1G233Y231-G233 VanDerWaalsContact C-N 3.35Å; Y231-G233 PolarHBondContact O-N 2.86Å; Y231-G233 VanDerWaalsContact O-N 3.15Å
232C35.6Very low36.4Very low118 Ų118131.7 Ų131.780%0.79775%0.752SS**  trans-78.486.4159.5-63.50000108.4P230 D234P230-C232 PolarHBondContact O-N 2.92Å; C232-D234 PolarHBondContact O-N 3.34Å
233G35.3Very low36.5Very low54 Ų54130.9 Ų130.956%0.55775%0.753SS**  trans-82.3108.717200000110.7Y231 N235Y231-G233 VanDerWaalsContact C-N 3.35Å; Y231-G233 PolarHBondContact O-N 2.86Å; Y231-G233 VanDerWaalsContact O-N 3.15Å; G233-N235 PolarHBondContact O-N 3.06Å; G233-N235 VanDerWaalsContact O-N 3.1Å
234D35Very low36.7Very low132 Ų132128.1 Ų128.171%0.70675%0.746SS**  trans-60110.7170.9-77.5-59.8000110.3C232 S236C232-D234 PolarHBondContact O-N 3.34Å; D234-S236 PolarHBondContact O-N 3.37Å
235N39.9Very low36.4Very low150 Ų150123.6 Ų123.680%0.80274%0.741SS**  trans-85.696.9164.7-72.4-75.3000107.2G233 I237G233-N235 PolarHBondContact O-N 3.06Å; G233-N235 VanDerWaalsContact O-N 3.1Å; N235-I237 PolarHBondContact O-N 3.49Å; N235-I237 VanDerWaalsContact O-N 3.11Å
236S38.6Very low36.3Very low104 Ų104122.4 Ų122.473%0.72774%0.735SS**  trans-55.3116.8161.8460000108.6D234 I238D234-S236 PolarHBondContact O-N 3.37Å; S236-I238 PolarHBondContact O-N 2.96Å
237I35Very low36.5Very low144 Ų144127.2 Ų127.274%0.73876%0.759SS**  trans-75.393.3-179.7-64.3172.9000107.4N235 L239N235-I237 PolarHBondContact O-N 3.49Å; N235-I237 VanDerWaalsContact O-N 3.11Å; I237-L239 HydrophobicContact CG2-CD1 4.28Å; I237-L239 HydrophobicContact CG2-CD2 4.48Å; I237-L239 HydrophobicContact CG2-CG 3.83Å
238I36.8Very low36.3Very low141 Ų141132.5 Ų132.572%0.72376%0.764SS**  trans-86.9110.5156-62.6-172.2000106.4S236 D240S236-I238 PolarHBondContact O-N 2.96Å; I238-D240 PolarHBondContact O-N 3.5Å
239L35.9Very low36.4Very low153 Ų153135.1 Ų135.180%0.80177%0.769SS**  trans-78.488.5169-78.1157.7000108.3I237 D241I237-L239 HydrophobicContact CG2-CD1 4.28Å; I237-L239 HydrophobicContact CG2-CD2 4.48Å; I237-L239 HydrophobicContact CG2-CG 3.83Å; L239-D241 PolarHBondContact O-N 2.83Å; L239-D241 VanDerWaalsContact O-N 3.11Å
240D34Very low36.2Very low141 Ų141134.7 Ų134.775%0.75476%0.76SS**  trans-79.774.5163.558.8-27.3000109.9I238 S242I238-D240 PolarHBondContact O-N 3.5Å; D240-S242 PolarHBondContact O-N 2.97Å
241D30.3Very low36Very low151 Ų151138.6 Ų138.681%0.80777%0.765SS**  trans-66.798.3168.9-178.728.5000109.9L239L239-D241 PolarHBondContact O-N 2.83Å; L239-D241 VanDerWaalsContact O-N 3.11Å
242S35Very low36.1Very low103 Ų103133.7 Ų133.772%0.7276%0.755SS**  trans-159.2108.7168.9-80.10000111.1D240D240-S242 PolarHBondContact O-N 2.97Å
243T36.1Very low36Very low127 Ų127136.6 Ų136.678%0.77976%0.757SS**SBendtrans134.6127.9140.8-53.10000113.3
244S40.5Very low35.9Very low95 Ų95143.2 Ų143.266%0.66477%0.77SS**  trans57.6105.6166.758.30000117.1
245G31.3Very low35.8Very low79 Ų79144.8 Ų144.881%0.81477%0.774SS**  trans-69.1143.6153.800000110.5
246D38.3Very low35.2Very low129 Ų129141.2 Ų141.269%0.6977%0.772SS**  trans-116.1138.2163-81.2-37.1000106.2K137K137-D246 IonicContact NZ-OD2 3.02Å; K137-D246 PolarHBondContact NZ-OD2 2.7Å
247E40.7Very low35Very low193 Ų193141.6 Ų141.690%0.90277%0.774SS**  trans-77.6163.3-161.1-66.7176.8115.400115.9L249E247-L249 PolarHBondContact O-N 3.39Å
248Y31.7Very low34.8Very low215 Ų215141.1 Ų141.184%0.84378%0.778SS**  trans-50.8129.4163-114.3-108.8000111.7
249L38.7Very low34.8Very low164 Ų164139.5 Ų139.586%0.85978%0.779SS**  trans-14987.6158.6-130.2148000111.1E247E247-L249 PolarHBondContact O-N 3.39Å
250S32.5Very low34.7Very low87 Ų87136.5 Ų136.561%0.60877%0.771SS**  trans-64.4140164.7-54.10000109.8
251K39.6Very low34.8Very low198 Ų198136.8 Ų136.886%0.86177%0.772SS**  trans-149113151-154.8162.7-172.8173.50111.2
252D36.6Very low35.3Very low130 Ų130135.3 Ų135.370%0.69577%0.769SS**  trans-72.7169.2175.6-57.9-80.5000112.5
253E34.2Very low35.2Very low179 Ų179137 Ų13784%0.83677%0.77SS**  trans54.3119.1158.2-67.4177.399.400119.4
254F33.1Very low35.6Very low192 Ų192136.2 Ų136.284%0.84277%0.77SS**  -164.6155.391.1-160.3-110.5000112.3
255Q32.9Very low35.4Very low166 Ų166139.4 Ų139.478%0.77678%0.779SS**  trans-95.5143.5-177.9-68.7163.9-64.300113
256G27.2Very low35.3Very low74 Ų74141.1 Ų141.176%0.76378%0.778SS**  trans64.5105133.400000121.1
257S34.5Very low35.2Very low112 Ų112143 Ų14378%0.78379%0.787SS**  trans169111.8138.1320000106.8
258V30.9Very low34.8Very low134 Ų134142.5 Ų142.581%0.81279%0.785SS**  68.1133.166.2-177.60000113.1
259S36Very low35.2Very low108 Ų108141 Ų14176%0.75579%0.785SS**  trans84.9142.1179.7-23.10000115.8
260S35.4Very low35Very low89 Ų89138.3 Ų138.362%0.62278%0.778SS**  cis-178.6143.8-35.843.80000108
261D36.3Very low35Very low147 Ų147142.7 Ų142.779%0.78679%0.788SS**  trans64.2151.8160.9-41.1-35.9000117
262T39.6Very low34.9Very low120 Ų120141.2 Ų141.274%0.73679%0.79SS**  cis-149.9148.310.380000111.5
263D33.6Very low34.9Very low138 Ų138141.9 Ų141.974%0.73879%0.793SS**  trans22.8130143.2-49.4-37.2000122.5
264S43.4Very low34.8Very low111 Ų111140.9 Ų140.978%0.77679%0.793SS**  174.6140.598.6-75.90000116
265N37.2Very low34.9Very low162 Ų162139.2 Ų139.287%0.86679%0.788SS**  trans68.7103.1159-77.4-11.8000122
266C28.4Very low35Very low115 Ų115135.1 Ų135.178%0.77778%0.777SS**  trans-68158.9150.5-48.10000112.2
267L36.9Very low35.2Very low169 Ų169140.8 Ų140.889%0.88578%0.781SS**  trans-155.6112.2141.6-116.5153.2000108.7
268E33.1Very low34.9Very low183 Ų183143.5 Ų143.586%0.85579%0.787SS**  trans-88.8138.6172.1-62.6-177.6125.900109.1
269E39.1Very low35Very low184 Ų184146.7 Ų146.786%0.8679%0.79SS**  trans-128.5127.2164.6-80.2-108.1103.500107.5
270P35.1Very low34.7Very low107 Ų107146 Ų14670%0.69579%0.785SS**  trans-102.9157.4-172.739.8-35.6000113.7
271E32.9Very low34.3Very low179 Ų179147.6 Ų147.684%0.83679%0.791SS**  trans54.6115.5157.2-44.1-131.5123.200118.9
272D37.7Very low34.2Very low167 Ų167146.2 Ų146.289%0.89379%0.788SS**  trans-141.8130.2145.3-127-25.1000111.2
273L34.5Very low33.5Very low143 Ų143144.8 Ų144.875%0.74978%0.782SS**  trans-79.3134.7-173.8-73.3125.5000111.3
274N33.9Very low33.4Very low158 Ų158144.2 Ų144.285%0.84578%0.779SS**  trans-153106.1139.4-121.3-38.4000115.4
275H33.7Very low32.8Very low158 Ų158145.4 Ų145.473%0.73178%0.781SS**  trans11.8148.5146.4-89.7-83.6000123.6
276S34.7Very low32.8Very low79 Ų79142.1 Ų142.155%0.55277%0.771SS**  trans81.3129.4143-760000119
277F33.3Very low33Very low194 Ų194145.5 Ų145.585%0.85178%0.775SS**  cis-142.7139.2-4.4-87.1-75.9000109.6
278N28.2Very low32.8Very low168 Ų168141.6 Ų141.690%0.89876%0.762SS**  trans-99.8133.8159.4-91.2-31.5000108.5
279F31.2Very low32.9Very low202 Ų202141.6 Ų141.689%0.88676%0.759SS**  trans-119.1108.3158.5-172.7-100.2000108
280S30.2Very low32.7Very low93 Ų93140.2 Ų140.265%0.6575%0.752SS**  trans-96.3145.5177.3-1720000110.1
281V27.9Very low32.6Very low123 Ų123141.3 Ų141.375%0.74575%0.751SS**  trans-64.6137.3170.51760000109.9
282V32.9Very low32.5Very low118 Ų118138.1 Ų138.172%0.71574%0.744SS**  trans-142.3122.1155.1-121.90000109
283C26.3Very low32.3Very low90 Ų90137.5 Ų137.561%0.60874%0.74SS**  trans-87.6159.1166.240.30000109.9K226K226-C283 WeakPolarHBondContact CE-O 3.32Å; K226-C283 PolarHBondContact NZ-O 2.86Å
284D30.4Very low32.2Very low126 Ų126136.8 Ų136.867%0.67474%0.742SS**  trans-146.4138.2162.7-105-43000111K226K226-D284 WeakPolarHBondContact CE-OD1 3.4Å; K226-D284 IonicContact NZ-OD1 2.81Å; K226-D284 PolarHBondContact NZ-OD1 3.16Å; K226-D284 IonicContact NZ-OD2 3.02Å; K226-D284 PolarHBondContact NZ-OD2 2.95Å
285T30.4Very low32.4Very low136 Ų136134.4 Ų134.483%0.83474%0.738SS**  trans-130.8121.9174.9-58.50000107.4
286S37.1Very low32.4Very low93 Ų93133 Ų13365%0.6574%0.741SS**  trans-163.2123.7162.919.70000112.9
287H34.4Very low32.5Very low185 Ų185135.5 Ų135.586%0.85675%0.753SS**  trans36.1141.2143.8-57.7-86.5000121.4
288S31.5Very low32.6Very low88 Ų88134 Ų13462%0.61575%0.748SS**  cis139.71451.4178.70000107
289K35.8Very low33.1Very low182 Ų182136.3 Ų136.379%0.79175%0.75SS**  trans76.2148.7172.3-59.8165.4-172.6-178.80115.8
290H34.5Very low33.4Very low155 Ų155134 Ų13472%0.71875%0.747SS**  cis-163163.10.9-128.3-63.3000110.4
291I33.4Very low33.9Very low131 Ų131134.6 Ų134.667%0.67275%0.748SS**  trans65.599.6151.7-63.4163000116.1
292T30Very low34.3Very low112 Ų112136.1 Ų136.169%0.68775%0.752SS**  51.6118.985.870.90000116.4
293D34.5Very low34.4Very low153 Ų153136.6 Ų136.682%0.81875%0.75SS**  -177.8165113.3-89.2-1.7000113.7
294T31.7Very low34.9Very low128 Ų128139.1 Ų139.179%0.78575%0.75SS**  trans-90.5146.3-163.349.30000115.5
295S38.4Very low35.1Very low109 Ų109140.2 Ų140.276%0.76275%0.752SS**  178.7116.3122370000114.4
296T33.7Very low35.2Very low129 Ų129141.5 Ų141.579%0.79175%0.748SS**  31.5118.8117.1-28.80000119.6
297T36Very low35Very low130 Ų130145.7 Ų145.780%0.79876%0.755SS**  169.1141.7103.6-58.90000111
298E35.5Very low34.8Very low163 Ų163143.6 Ų143.676%0.76275%0.749SS**  trans-72.1155-175.5-56.1159.6105.300115
299K40.3Very low35Very low216 Ų216145.6 Ų145.694%0.93976%0.758SS**  trans-156.4142.9134.8-110163.9-171.2179.40112.1
300L37.2Very low35.1Very low155 Ų155144.9 Ų144.981%0.81276%0.757SS**  trans-103.3-179.6-162.5-91.7164.6000112.9
301P39.7Very low35.3Very low105 Ų105143.2 Ų143.268%0.68275%0.753SS**  trans-122-174.8-14146.4-37.2000116.2
302L35.6Very low35.7Very low155 Ų155143 Ų14381%0.81275%0.753SS**  trans-148.9160.2157.9-66.897.1000107.3
303N35.1Very low36.2Very low127 Ų127146.7 Ų146.768%0.67976%0.76SS**  cis-152142.8-9.6-113.73.8000107.1
304K37Very low36.4Very low143 Ų143145 Ų14562%0.62276%0.76SS**  60.9118.588.9-89.3179.7160.8-80.30117.8
305E36.3Very low36.8Very low149 Ų149143.2 Ų143.270%0.69676%0.759SS**  trans56.7142.6134.8-65.7152.5-174.800118.4
306E31.7Very low36.8Very low163 Ų163145.1 Ų145.176%0.76276%0.759SS**  cis175.2-176.1-8-169.1173.1-151.200103.8
307F33.3Very low37.1Very low182 Ų182144.7 Ų144.780%0.79875%0.752SS**  trans89.3141.6164.8-91.2-98.8000122.5
308L29.4Very low37Very low141 Ų141147.1 Ų147.174%0.73875%0.754SS**  trans-72.6153.5-178.5-73.558.1000112.9
309T36.7Very low37.1Very low129 Ų129143.5 Ų143.579%0.79175%0.752SS**  172.9135.4104.532.20000114.4
310H37.3Very low36.9Very low167 Ų167138.5 Ų138.577%0.77374%0.744SS**  trans40139.8142-95.2-92.8000125.1
311D39.4Very low37Very low120 Ų120136.2 Ų136.264%0.64274%0.741SS**  112.8111.3128.9-79.7-14.3000124.4
312N40.7Very low36.9Very low126 Ų126140.8 Ų140.867%0.67475%0.75SS**  74.9110.8125-63.4-33.8000124.1
313K41.4Very low36.8Very low191 Ų191137.8 Ų137.883%0.8374%0.742SS**  176.2121.4109.9-93.9160.1-179.1172.30111.4
314S38.7Very low36.7Very low117 Ų117137 Ų13782%0.81874%0.742SS**  68.5132.291.9-48.70000114
315A39.9Very low36.4Very low91 Ų91137.5 Ų137.575%0.75275%0.751SS**  cis-145.7-173.611.700000109.6
316L37.9Very low36.1Very low148 Ų148141 Ų14178%0.77576%0.759SS**  cis-173.2136.836.8-174.770.5000112.3
317L39.1Very low36Very low120 Ų120141.5 Ų141.563%0.62876%0.761SS**  trans54.7116.7156.2-62.7170000120.6
318Q35.4Very low36.1Very low182 Ų182140 Ų14085%0.8576%0.762SS**  73.6138.679.7-72-178.815.200114.5
319A37.1Very low36.2Very low86 Ų86142.1 Ų142.171%0.71177%0.768SS**  cis-155.1166.71600000114.7
320S36.1Very low36.1Very low111 Ų111141.4 Ų141.478%0.77677%0.768SS**  trans20.2150.4143.5-39.50000121.8
321S38.6Very low35.8Very low107 Ų107139.1 Ų139.175%0.74877%0.765SS**  cis-166.2158.525.3-31.20000113.3
322K38.2Very low35.7Very low202 Ų202141.8 Ų141.888%0.87877%0.773SS**  trans9.5147.2130.2-72.2176.9-177.8-179.40118.4
323S32.8Very low35.4Very low92 Ų92141.1 Ų141.164%0.64377%0.77SS**  cis176.7172.419.3155.70000111.3
324T33.5Very low34.9Very low110 Ų110138.6 Ų138.668%0.67577%0.765SS**  trans67.7110.4152.833.60000119.2
325L30.2Very low34.6Very low154 Ų154140.2 Ų140.281%0.80676%0.763SS**  75.7119.490.6-75.3-173000115.1
326Y30.9Very low34.4Very low222 Ų222140.6 Ų140.687%0.87176%0.76SS**  -170.9125121.5-119.5-88.1000110.7
327E29.1Very low34.3Very low173 Ų173139 Ų13981%0.80876%0.756SS**  trans-76156.1162.4-67.9166.6106.700109.9
328N35.9Very low34.2Very low152 Ų152142.2 Ų142.281%0.81377%0.765SS**  trans-162.5125.3143.8-96.9-43.3000112
329H31.8Very low34.3Very low185 Ų185137.7 Ų137.786%0.85676%0.759SS**  trans-59.1154.1160.1-82.9-110.3000111.1
330S34Very low34.3Very low114 Ų114141 Ų14180%0.79776%0.76SS**  -178156.4111.3-1600000113.6
331V30.5Very low34.3Very low119 Ų119143.2 Ų143.272%0.72176%0.758SS**  trans-79.5152-176.6-79.10000115
332H38Very low34Very low175 Ų175143.5 Ų143.581%0.8176%0.755SS**  trans-153116.8148-128-97000107.7
333N34.7Very low34Very low113 Ų113142.5 Ų142.560%0.60475%0.753SS**  54.3130.771.1-71.4-20.8000113.3
334L30.2Very low33.8Very low137 Ų137145.7 Ų145.772%0.71776%0.762SS**  cis-178.6170.7-8.9-126.7169.2000106.4
335I33.3Very low34Very low152 Ų152145.5 Ų145.578%0.77977%0.772SS**  trans76.2138166.5-52.1138.2000113.7
336S34.6Very low34.2Very low99 Ų99146.3 Ų146.369%0.69277%0.769SS**  cis-152.7124.833.5-1470000117.6
337T37.1Very low34.3Very low113 Ų113145.9 Ų145.969%0.69377%0.772SS**  trans16.4147.1142.468.30000127.2
338K36Very low34.6Very low189 Ų189145.2 Ų145.282%0.82277%0.769SS**  trans78.7142.3148.7-75168176.8-175.10118.5
339A37.9Very low34.3Very low86 Ų86141.2 Ų141.271%0.71176%0.764SS**  cis-138.1153.68.500000110.5
340E35.9Very low34.4Very low157 Ų157138.3 Ų138.373%0.73476%0.764SS**  59.6125.665.9-103.3179.8108.300112.7
341Q36.4Very low34.2Very low157 Ų157139.4 Ų139.473%0.73477%0.766SS**  cis-147.414221.7-80166.20.800112.7
342V33.6Very low34.3Very low113 Ų113141.3 Ų141.369%0.68577%0.767SS**  57.1111.4102.5-165.20000117.4
343H37.1Very low33.8Very low181 Ų181138.8 Ų138.884%0.83876%0.764SS**  -177119.5112.3-108-72.6000114.2
344D29.8Very low33.7Very low158 Ų158144.4 Ų144.485%0.84578%0.777SS**  trans-73.2143.1162.2-80.2-75.4000111.6
345A36.8Very low33.6Very low106 Ų106145.6 Ų145.688%0.87678%0.783SS**  trans-144.899.9160.500000110.5
346K33.9Very low33.6Very low172 Ų172144.1 Ų144.175%0.74879%0.786SS**  trans-95.8126.1-179.2-176.7175.8-175.7173.20109.1
347F34Very low33.4Very low212 Ų212145.7 Ų145.793%0.9379%0.792SS**  trans-131.5140.5167.3-118.2-89000112.7
348H35.6Very low33.2Very low160 Ų160146.1 Ų146.174%0.74180%0.796SS**  trans-83.9156.5-168.4-90.1-116.3000112.8
349G29.1Very low33Very low68 Ų68146 Ų14670%0.70180%0.799SS**  trans-72.8-177.2-171.400000117
350S33.7Very low32.6Very low124 Ų124147.6 Ų147.687%0.86780%0.802SS**  trans-158.9137134.9-820000110
351T29.3Very low32.5Very low136 Ų136147.3 Ų147.383%0.83480%0.804SS**  trans-74.4134.3171.444.80000110.6
352H33.7Very low32.3Very low160 Ų160148 Ų14874%0.74181%0.808SS**  trans-148.3118.7148.9-130.5-77.4000112.1W354H352-W354 AromaticContact ND1-NE1 3.7Å
353T28.1Very low32Very low122 Ų122150.6 Ų150.675%0.74882%0.818SS**  trans-67.7135.8168.221.10000110.8
354W32.4Very low31.8Very low231 Ų231150.4 Ų150.488%0.87582%0.817SS**  trans-146.8122.6152.2-81.7102.5000110.2H352H352-W354 AromaticContact ND1-NE1 3.7Å
355L27Very low31.7Very low161 Ų161146.7 Ų146.784%0.84382%0.817SS**  trans-78.4137.7164.8-68.9103000109.2
356S32.8Very low31.4Very low121 Ų121150.7 Ų150.785%0.84682%0.815SS**  trans-170.5124.9140.3-83.40000112.6
357T30.7Very low31Very low133 Ų133147.9 Ų147.982%0.81682%0.816SS**  trans-9.9133.9163.8-43.30000119.8
358P33.4Very low31.1Very low122 Ų122144.1 Ų144.179%0.79281%0.81SS**PPolyproline II helixtrans-86.5144.9169.234.6-32.7000113.3
359Q32.8Very low31Very low186 Ų186143.1 Ų143.187%0.86981%0.811SS**PPolyproline II helixtrans-98.4153.8163.1-93.5-170.8-35.900111
360P29.1Very low31.2Very low119 Ų119146.9 Ų146.977%0.77382%0.815SS**PPolyproline II helixtrans-86.5136.8-176.233.9-33.5000112.5
361L33Very low31.2Very low151 Ų151148.3 Ų148.379%0.79181%0.808SS**  trans-132.3106.9169.5-81175000112.5
362Q32.9Very low31.3Very low172 Ų172146.5 Ų146.580%0.80480%0.801SS**  trans44.6113.2135.9-69.5170.1-3000119.6Q364Q362-Q364 PolarHBondContact O-N 2.93Å
363N27.1Very low31.4Very low168 Ų168147.8 Ų147.890%0.89880%0.804SS**  trans-47.2128.9163.4-69.4-10.5000112.7
364Q32.6Very low31.7Very low176 Ų176150.7 Ų150.782%0.82281%0.807SS**  trans-118.6123.2147.4-67.5-171.27.900107.4Q362Q362-Q364 PolarHBondContact O-N 2.93Å
365G26.9Very low31.7Very low81 Ų81145.6 Ų145.684%0.83580%0.803SS**  trans-74.7131.1-175.500000111.7
366F30.4Very low32.1Very low190 Ų190144.1 Ų144.183%0.83380%0.796SS**  trans-108.5131.7162.8-90.2-92.3000109.2
367S27.2Very low32.3Very low112 Ų112145.2 Ų145.278%0.78379%0.793SS**  trans-65.7131.8175.6-169.10000109.7
368V35.5Very low32.6Very low133 Ų133144.5 Ų144.581%0.80678%0.784SS**  trans-105.9121.4169.7-164.30000106.8D370V368-D370 PolarHBondContact O-N 2.94Å; V368-D370 VanDerWaalsContact O-N 3.09Å
369D33.7Very low33Very low139 Ų139143.8 Ų143.874%0.74377%0.774SS**  trans-66109.3-179-74.4-58.4000110.8Q371D369-Q371 PolarHBondContact O-N 3.43Å
370D32.4Very low33.4Very low148 Ų148139.6 Ų139.679%0.79176%0.757SS**  trans-79.168.4-178.2-159.12000110.8V368 S372V368-D370 PolarHBondContact O-N 2.94Å; V368-D370 VanDerWaalsContact O-N 3.09Å; D370-S372 PolarHBondContact O-N 2.64Å
371Q35.2Very low34.2Very low154 Ų154137.2 Ų137.272%0.7274%0.737SS**  trans-71.681.1171.5-72.8-168.39.700110D369 F373D369-Q371 PolarHBondContact O-N 3.43Å; Q371-F373 VanDerWaalsContact C-N 3.31Å; Q371-F373 PolarHBondContact O-N 3.42Å
372S31.4Very low35Very low98 Ų98135 Ų13569%0.68573%0.725SS**  trans-58.287.7168.341.40000111.1D370 K374D370-S372 PolarHBondContact O-N 2.64Å; S372-K374 PolarHBondContact O-N 3.46Å
373F34.6Very low35.8Very low186 Ų186132 Ų13282%0.81671%0.714SS**  trans-59.3107.5167.8-91.8-94.8000109.1Q371Q371-F373 VanDerWaalsContact C-N 3.31Å; Q371-F373 PolarHBondContact O-N 3.42Å
374K33.8Very low36.8Very low183 Ų183129.9 Ų129.980%0.79670%0.697SS**  trans-61.5140.7170.6-69.1-179.4177.8177.70109S372 D376S372-K374 PolarHBondContact O-N 3.46Å; K374-D376 PolarHBondContact O-N 2.9Å
375P33.6Very low37.8Very low124 Ų124123.8 Ų123.881%0.80567%0.668SS**  trans-72.6112.2177.929-32.5000109.7
376D35.6Very low38.6Very low130 Ų130122.8 Ų122.870%0.69565%0.648SS**  trans-61.7148.3163.1-69.3-37.2000109.6K374 N378K374-D376 PolarHBondContact O-N 2.9Å; D376-N378 PolarHBondContact O-N 2.82Å
377N36.6Very low39.7Very low144 Ų144114.1 Ų114.177%0.7761%0.61SS**SBendtrans-64.716.8-164.7-94.8-43.2000117.7
378N37.7Very low40.5Very low119 Ų119116.1 Ų116.164%0.63661%0.607SS**  trans-99.355.3165.2-87.810.4000111.3D376 N380D376-N378 PolarHBondContact O-N 2.82Å; N378-N380 VanDerWaalsContact C-N 3.26Å; N378-N380 PolarHBondContact O-N 3.22Å
379D40.8Very low40.8Very low107 Ų107116.5 Ų116.557%0.57261%0.605SS**  21.349.1128.3-144.548.3000118.6R97R97-D379 IonicContact CZ-OD1 3.65Å; R97-D379 IonicContact CZ-OD2 3.67Å; R97-D379 PolarHBondContact NE-O 2.87Å; R97-D379 VanDerWaalsContact NH1-CG 3.29Å; R97-D379 PolarHBondContact NH1-O 2.55Å; R97-D379 IonicContact NH1-OD1 3.64Å; R97-D379 IonicContact NH1-OD2 2.7Å; R97-D379 PolarHBondContact NH1-OD2 3.24Å; R97-D379 PolarHBondContact NH2-O 2.99Å; R97-D379 IonicContact NH2-OD1 2.64Å; R97-D379 PolarHBondContact NH2-OD1 2.9Å; R97-D379 IonicContact NH2-OD2 3.79Å; R97-D379 PolarHBondContact NH2-OD2 2.85Å
380N41.8Very low41.4Very low97 Ų97113.2 Ų113.252%0.51959%0.588SS.*  trans-156.7-18.3179.1-98.9-39.9000119R97 N378R97-N380 WeakPolarHBondContact CD-OD1 3.34Å; N378-N380 VanDerWaalsContact C-N 3.26Å; N378-N380 PolarHBondContact O-N 3.22Å
381I46.4Very low41.9Very low69 Ų69110.9 Ų110.935%0.35457%0.574SS.*EExtended strand (participates in β ladder)trans-134.1132-175.1-61102.5000112Y94 F107Y94-I381 HydrophobicContact CD1-CG2 3.76Å; Y94-I381 HydrophobicContact CG-CG2 4.46Å; F107-I381 HydrophobicContact CE2-CB 4.37Å; F107-I381 HydrophobicContact CE2-CD1 3.71Å; F107-I381 HydrophobicContact CE2-CG1 3.59Å; F107-I381 HydrophobicContact CE2-CG2 4.14Å; F107-I381 HydrophobicContact CZ-CB 4.28Å; F107-I381 HydrophobicContact CZ-CD1 3.97Å; F107-I381 HydrophobicContact CZ-CG1 3.95Å; F107-I381 HydrophobicContact CZ-CG2 3.97Å
382I48.5Very low42.3Very low104 Ų104105.5 Ų105.553%0.53355%0.554SS.*EExtended strand (participates in β ladder)trans-130.9126.5177.7-68.3-176.8000111Q69Q69-I382 PolarHBondContact NE2-O 2.87Å
383L51Low42.7Very low110 Ų110105.8 Ų105.858%0.57655%0.546SS*.EExtended strand (participates in β ladder)trans61.4109.1167.6-65.5165.8000117.7H385L383-H385 WeakPolarHBondContact CB-CE1 3.5Å; L383-H385 WeakPolarHBondContact CB-ND1 3.23Å; L383-H385 PolarHBondContact O-N 2.86Å; L383-H385 PolarHBondContact O-ND1 2.91Å
384K46.9Very low43.2Very low124 Ų12499.7 Ų99.754%0.53952%0.522SS..EExtended strand (participates in β ladder)trans-51.6116.3150.6166-179.4160.1169.20108.2E92 Y94E92-K384 WeakPolarHBondContact OE1-CE 3.45Å; E92-K384 IonicContact OE1-NZ 2.68Å; E92-K384 PolarHBondContact OE1-NZ 3.29Å; Y94-K384 HydrophobicContact CE1-CB 4.33Å
385H53.7Low43.1Very low48 Ų4895 Ų9522%0.22251%0.512CS..EExtended strand (participates in β ladder)trans-108132.4171.2-80.473.3000109.2Q69 F93 L383Q69-H385 VanDerWaalsContact CG-CE1 3.46Å; Q69-H385 WeakPolarHBondContact CG-CE1 3.37Å; F93-H385 HydrophobicContact CD1-CB 4.2Å; F93-H385 WeakPolarHBondContact CD1-O 3.04Å; F93-H385 HydrophobicContact CE1-CB 3.44Å; F93-H385 VanDerWaalsContact CE1-CB 3.44Å; F93-H385 HydrophobicContact CE2-CB 4.05Å; F93-H385 HydrophobicContact CZ-CB 3.35Å; F93-H385 PolarHBondContact N-O 2.99Å; F93-H385 PolarHBondContact O-N 3.3Å; F93-H385 VanDerWaalsContact O-N 3.15Å; L383-H385 WeakPolarHBondContact CB-CE1 3.5Å; L383-H385 WeakPolarHBondContact CB-ND1 3.23Å; L383-H385 PolarHBondContact O-N 2.86Å; L383-H385 PolarHBondContact O-ND1 2.91Å
386S44.7Very low43.3Very low60 Ų6093 Ų9342%0.4250%0.495SS..EExtended strand (participates in β ladder)trans-91133.7157.8-173.60000107.2E388S386-E388 VanDerWaalsContact C-N 3.34Å; S386-E388 PolarHBondContact O-N 3.03Å
387I53Low43.7Very low7 Ų792.1 Ų92.14%0.03650%0.496CS..  trans-76.590.1173.9-51.8178.3000108.7F78 N88 T89 G90 F93 N389 N390F78-I387 HydrophobicContact CD1-CD1 4.14Å; F78-I387 HydrophobicContact CE1-CD1 3.34Å; F78-I387 HydrophobicContact CE1-CG1 4.27Å; F78-I387 HydrophobicContact CZ-CD1 3.93Å; F78-I387 HydrophobicContact CZ-CG1 4.44Å; N88-I387 WeakPolarHBondContact O-CD1 3.28Å; T89-I387 HydrophobicContact CG2-CG2 4.23Å; T89-I387 VanDerWaalsContact CG2-O 3.22Å; T89-I387 WeakPolarHBondContact CG2-O 3.42Å; G90-I387 PolarHBondContact N-O 2.94Å; G90-I387 VanDerWaalsContact N-O 3.09Å; F93-I387 HydrophobicContact CD1-CG1 4.06Å; F93-I387 HydrophobicContact CE1-CD1 4.3Å; F93-I387 HydrophobicContact CE1-CG1 3.57Å; I387-N389 PolarHBondContact O-N 3.05Å; I387-N390 HydrophobicContact CG2-CB 4.33Å
388E43.2Very low44Very low154 Ų15491.8 Ų91.872%0.7249%0.494SS*.  trans-77.799.4166.7-67.1-177.1-176.600109.6S386 N390S386-E388 VanDerWaalsContact C-N 3.34Å; S386-E388 PolarHBondContact O-N 3.03Å; E388-N390 PolarHBondContact O-N 2.88Å; E388-N390 PolarHBondContact O-ND2 3.06Å; E388-N390 PolarHBondContact O-OD1 3.24Å
389N41.6Very low44Very low141 Ų14192.6 Ų92.675%0.75450%0.499SS*.SBendtrans42.124.5168.8-71.7-17.2000118.3I387 I391I387-N389 PolarHBondContact O-N 3.05Å; N389-I391 PolarHBondContact O-N 3.32Å
390N46.6Very low43.6Very low71 Ų7196.5 Ų96.538%0.3851%0.51SS..  trans-78.453-177.6-74-33.5000112.8I387 E388I387-N390 HydrophobicContact CG2-CB 4.33Å; E388-N390 PolarHBondContact O-N 2.88Å; E388-N390 PolarHBondContact O-ND2 3.06Å; E388-N390 PolarHBondContact O-OD1 3.24Å
391I43.2Very low42.9Very low98 Ų9898 Ų9850%0.50352%0.518SS..EExtended strand (participates in β ladder)trans-92.596.7164-62.8-176000105.8V64 N389V64-I391 HydrophobicContact CG1-CG2 3.46Å; V64-I391 VanDerWaalsContact CG1-CG2 3.46Å; N389-I391 PolarHBondContact O-N 3.32Å
392S44.4Very low42.1Very low42 Ų42102 Ų10229%0.29454%0.535SS..EExtended strand (participates in β ladder)trans-102.2141.917541.30000110.2V65V65-S392 WeakPolarHBondContact CG2-O 3.47Å; V65-S392 WeakPolarHBondContact CG2-OG 3.48Å; V65-S392 PolarHBondContact N-O 3.49Å; V65-S392 PolarHBondContact O-N 3.32Å
393I39.4Very low41.1Very low104 Ų104104.5 Ų104.553%0.53355%0.55SS..EExtended strand (participates in β ladder)trans-102.4129.2166.7-57.8174000105.3V64 S395V64-I393 HydrophobicContact CG2-CG1 4.25Å; I393-S395 PolarHBondContact O-N 3.08Å
394L44.5Very low40Very low58 Ų58106.5 Ų106.530%0.30456%0.559SS.*  trans-79.152.5178-75.8166.9000111.2T50 I59 P61 V65T50-L394 HydrophobicContact CG2-CD1 4.47Å; I59-L394 HydrophobicContact CG2-CD1 4.14Å; P61-L394 CarbonylContact C-O 3.58Å; P61-L394 VanDerWaalsContact C-O 3.29Å; P61-L394 VanDerWaalsContact CA-O 3.23Å; P61-L394 WeakPolarHBondContact CA-O 3.44Å; P61-L394 WeakPolarHBondContact CB-O 3.42Å; P61-L394 CarbonylContact O-C 3.58Å; P61-L394 VanDerWaalsContact O-CA 3.24Å; P61-L394 WeakPolarHBondContact O-CA 3.41Å; P61-L394 VanDerWaalsContact O-CB 3.29Å; P61-L394 WeakPolarHBondContact O-CB 3.32Å; P61-L394 PolarHBondContact O-N 3.36Å; P61-L394 VanDerWaalsContact O-N 3.16Å; V65-L394 HydrophobicContact CG1-CD1 4.2Å; V65-L394 HydrophobicContact CG2-CD1 4.33Å; V65-L394 HydrophobicContact CG2-CG 4.26Å
395S31.6Very low39.1Very low84 Ų84107.5 Ų107.559%0.58757%0.57SS**  trans-55.1136.8-171.152.10000113.5I393I393-S395 PolarHBondContact O-N 3.08Å
396D38.4Very low37.8Very low83 Ų83113.8 Ų113.844%0.44460%0.599SS.*  trans-52.3146.5168.6-81.2-51.2000111.3D398D396-D398 PolarHBondContact O-N 3Å
397P43Very low37Very low111 Ų111119 Ų11972%0.72161%0.614SS**THydrogen-bonded Turntrans-66.3-2.2-177.227.3-35.7000115.2
398D44.4Very low35.8Very low137 Ų137122.6 Ų122.673%0.73365%0.645SS**THydrogen-bonded Turntrans-83.3-11.9-176.4-79.5-35.5000114.8D396 K400D396-D398 PolarHBondContact O-N 3Å; D398-K400 PolarHBondContact O-N 3.41Å
399N37.9Very low35.2Very low136 Ų136120.9 Ų120.973%0.72765%0.65SS**  trans-92.997.9-179.5-159.78000112.4N401N399-N401 VanDerWaalsContact C-N 3.32Å; N399-N401 PolarHBondContact O-N 3.09Å
400K31Very low34.8Very low189 Ų189120 Ų12082%0.82265%0.645SS**  trans-65.385.1171-65.2174.9-178.8175.10110.6D398D398-K400 PolarHBondContact O-N 3.41Å
401N28.6Very low34.3Very low127 Ų127121.9 Ų121.968%0.67966%0.662SS**  trans177.5127.4144-91.4-23.2000113.5N399N399-N401 VanDerWaalsContact C-N 3.32Å; N399-N401 PolarHBondContact O-N 3.09Å
402H28.9Very low34.3Very low153 Ų153122.7 Ų122.771%0.70866%0.662SS**SBendtrans84.8117.4161.6-52.3-56.3000121.2
403N26.7Very low34Very low158 Ų158126.7 Ų126.785%0.84568%0.684SS**  trans61.767.8144-55.7-4.2000118.1
404I28.5Very low34.3Very low152 Ų152123.7 Ų123.778%0.77967%0.672SS**  trans-83.5121173.7-62.8172.5000110.9
405L28.5Very low34.4Very low144 Ų144125 Ų12575%0.75468%0.68SS**  trans-72.3122.7161.9-77.5171.7000109.5F407L405-F407 PolarHBondContact O-N 3.08Å; L405-F407 VanDerWaalsContact O-N 3.09Å
406H25.4Very low35.3Very low181 Ų181124 Ų12484%0.83867%0.672SS**  trans-79.889.2-175.1-132.2-91.1000110.7A408H406-A408 PolarHBondContact O-N 2.88Å; H406-A408 VanDerWaalsContact O-N 3.17Å
407F28.7Very low36Very low169 Ų169122.6 Ų122.674%0.74166%0.662SS**  trans-71.8107.2164.6-73.7-78.6000109L405L405-F407 PolarHBondContact O-N 3.08Å; L405-F407 VanDerWaalsContact O-N 3.09Å
408A26.8Very low36.5Very low82 Ų82121.1 Ų121.168%0.67865%0.654SS**  trans-60.8141.6176.100000111H406H406-A408 PolarHBondContact O-N 2.88Å; H406-A408 VanDerWaalsContact O-N 3.17Å
409S30.2Very low37.1Very low118 Ų118115.6 Ų115.683%0.82562%0.624SS**  trans56.471.4169.1490000117.1
410N33.5Very low37.8Very low123 Ų123114.9 Ų114.966%0.65862%0.621SS**  trans-117.591.3155.8-159.16000109.8F412N410-F412 PolarHBondContact O-N 2.91Å; N410-F412 WeakPolarHBondContact OD1-CD2 3.48Å
411P36.5Very low38.7Very low111 Ų111112.9 Ų112.972%0.72161%0.612SS**  trans-74.623.7-173.631.7-37000114.4
412F42.9Very low39.6Very low115 Ų115112 Ų11250%0.50460%0.604SS.*  trans-113.849.9-167-65.9-87.6000112.6R34 N410 S414R34-F412 VanDerWaalsContact NH2-CD1 3.34Å; N410-F412 PolarHBondContact O-N 2.91Å; N410-F412 WeakPolarHBondContact OD1-CD2 3.48Å; F412-S414 VanDerWaalsContact C-N 3.26Å; F412-S414 PolarHBondContact O-N 3.45Å
413V37.7Very low40.1Very low126 Ų126109.8 Ų109.876%0.76460%0.601SS**  trans-69.588.1167.5-176.30000108.7
414S46Very low40.8Very low40 Ų40106 Ų10628%0.2858%0.579SS.*PPolyproline II helixtrans-78.3117.3168.153.30000109.2F44 F412 C416F44-S414 VanDerWaalsContact CZ-CB 3.43Å; F44-S414 WeakPolarHBondContact CZ-OG 3.49Å; F412-S414 VanDerWaalsContact C-N 3.26Å; F412-S414 PolarHBondContact O-N 3.45Å; S414-C416 PolarHBondContact O-N 3.46Å
415N47.4Very low41Very low87 Ų87102.5 Ų102.547%0.46557%0.569SS.*PPolyproline II helixtrans-71.5120.4-178.8-64.3-27.8000110.6F417N415-F417 HydrophobicContact CB-CD2 4.2Å; N415-F417 HydrophobicContact CB-CE1 4.04Å; N415-F417 HydrophobicContact CB-CE2 3.33Å; N415-F417 HydrophobicContact CB-CZ 3.22Å; N415-F417 WeakPolarHBondContact O-CD2 3.39Å; N415-F417 WeakPolarHBondContact O-CE2 3.32Å
416C49.8Very low41.3Very low63 Ų63102.8 Ų102.843%0.42657%0.571SS.*EExtended strand (participates in β ladder)trans-78.1121.5167.2171.70000108.7F32 S414F32-C416 HydrophobicContact CD1-CB 4.28Å; F32-C416 HydrophobicContact CE1-CB 3.84Å; F32-C416 HydrophobicContact CZ-CB 4.31Å; S414-C416 PolarHBondContact O-N 3.46Å
417F54.4Low41.8Very low52 Ų5297.9 Ų97.923%0.22856%0.557CS.*EExtended strand (participates in β ladder)trans-108.3125.3177.7-65.4-71.9000111.5V8 L9 K30 C31 V33 N415V8-F417 HydrophobicContact CG1-CD2 4.39Å; L9-F417 HydrophobicContact CD1-CE2 4Å; L9-F417 HydrophobicContact CD1-CZ 4.47Å; L9-F417 HydrophobicContact CD2-CE1 3.89Å; L9-F417 HydrophobicContact CD2-CE2 3.56Å; L9-F417 HydrophobicContact CD2-CZ 3.18Å; L9-F417 HydrophobicContact CG-CD2 4.19Å; L9-F417 HydrophobicContact CG-CE1 4.36Å; L9-F417 HydrophobicContact CG-CE2 3.61Å; L9-F417 HydrophobicContact CG-CZ 3.72Å; K30-F417 WeakPolarHBondContact CA-O 3.35Å; C31-F417 PolarHBondContact N-O 3.1Å; C31-F417 PolarHBondContact O-N 2.89Å; C31-F417 VanDerWaalsContact O-N 3.08Å; V33-F417 HydrophobicContact CB-CE2 4.44Å; V33-F417 HydrophobicContact CG2-CD2 3.98Å; V33-F417 HydrophobicContact CG2-CE2 4.28Å; N415-F417 HydrophobicContact CB-CD2 4.2Å; N415-F417 HydrophobicContact CB-CE1 4.04Å; N415-F417 HydrophobicContact CB-CE2 3.33Å; N415-F417 HydrophobicContact CB-CZ 3.22Å; N415-F417 WeakPolarHBondContact O-CD2 3.39Å; N415-F417 WeakPolarHBondContact O-CE2 3.32Å
418S53.5Low41.9Very low81 Ų8198.2 Ų98.257%0.56656%0.561SS**EExtended strand (participates in β ladder)trans-76.2132.6163.8-62.50000109.3N420S418-N420 PolarHBondContact O-N 3.25Å
419L55.4Low41.9Very low20 Ų20103.5 Ų103.511%0.10558%0.577CS.*  trans-81.2110.6-173.3-70.9167.5000111.6L6 V8 L18 L27 E29 K421L6-L419 HydrophobicContact CB-CD2 4.45Å; L6-L419 HydrophobicContact CD1-CD1 4.48Å; V8-L419 HydrophobicContact CG2-CD2 3.28Å; L18-L419 HydrophobicContact CD2-CD1 3.67Å; L18-L419 HydrophobicContact CD2-CD2 3.49Å; L18-L419 VanDerWaalsContact CD2-CD2 3.49Å; L18-L419 HydrophobicContact CD2-CG 4.27Å; L27-L419 HydrophobicContact CB-CD1 4.28Å; L27-L419 WeakPolarHBondContact O-CD1 3.36Å; E29-L419 WeakPolarHBondContact O-CB 3.49Å; E29-L419 PolarHBondContact O-N 3.25Å; L419-K421 PolarHBondContact O-N 3.29Å
420N52.3Low41.8Very low121 Ų121101.7 Ų101.765%0.64756%0.564SS**EExtended strand (participates in β ladder)trans-75.5114.3170.1-83.5-24.7000109.9Q7 S418 Q422Q7-N420 PolarHBondContact N-O 3.01Å; S418-N420 PolarHBondContact O-N 3.25Å; N420-Q422 PolarHBondContact O-N 3.14Å
421K50.8Low41.5Very low148 Ų148102.5 Ų102.564%0.64357%0.574SS**EExtended strand (participates in β ladder)trans-89.1101.1179.6-172.1175.4-174.4175.40110.4L6 L419L6-K421 HydrophobicContact CD2-CB 4.08Å; L6-K421 HydrophobicContact CD2-CG 4.05Å; L419-K421 PolarHBondContact O-N 3.29Å
422Q47.6Very low41.3Very low109 Ų109105.7 Ų105.751%0.50958%0.576SS.*EExtended strand (participates in β ladder)trans-90.5127.3172.4-70.4-174.5-4.200110.5T4 I5 N420T4-Q422 WeakPolarHBondContact CA-O 3.48Å; I5-Q422 PolarHBondContact N-O 2.84Å; I5-Q422 VanDerWaalsContact N-O 3.14Å; I5-Q422 PolarHBondContact O-N 2.85Å; N420-Q422 PolarHBondContact O-N 3.14Å
423V39.1Very low40.6Very low105 Ų105108.8 Ų108.864%0.63659%0.592SS**EExtended strand (participates in β ladder)trans-91.7119.2171.1-176.10000107.5T4 S425T4-V423 HydrophobicContact CG2-CB 4.48Å; T4-V423 HydrophobicContact CG2-CG1 4.45Å; T4-V423 HydrophobicContact CG2-CG2 4.09Å; V423-S425 PolarHBondContact O-N 3.01Å
424I41.2Very low40.2Very low78 Ų78108.6 Ų108.640%0.459%0.591SS.*  trans-95.296.1177.3-57.2-179.5000107.4R3 I5R3-I424 PolarHBondContact O-N 3.36Å; I5-I424 HydrophobicContact CB-CD1 4.22Å; I5-I424 HydrophobicContact CD1-CD1 3.57Å; I5-I424 HydrophobicContact CG1-CD1 3.83Å
425S33.5Very low39.3Very low79 Ų79116.7 Ų116.755%0.55262%0.618SS**  trans-75.7126.9164.947.60000109.4V423 S427V423-S425 PolarHBondContact O-N 3.01Å; S425-S427 PolarHBondContact O-N 3.45Å
426N34Very low38.4Very low151 Ų151120 Ų12081%0.80763%0.634SS**SBendtrans-75.162.5173.1-73.5-10.8000111.2
427S36.3Very low37.3Very low78 Ų78124.8 Ų124.855%0.54565%0.65SS.*SBendtrans-162.9124.3172.652.90000107.8S425S425-S427 PolarHBondContact O-N 3.45Å
428E30.6Very low36.2Very low176 Ų176127.3 Ų127.382%0.82267%0.672SS**  trans7297.3172.9-53.3-175.6158.900116.5S430E428-S430 VanDerWaalsContact C-N 3.26Å; E428-S430 PolarHBondContact O-N 3.25Å
429L27.8Very low35.2Very low192 Ų192130 Ų130100%1.00568%0.684SS**  trans-58.294.7145.1-100.870000107.8
430S27.1Very low34.1Very low81 Ų81134.7 Ų134.757%0.56671%0.71SS**  trans-129.197.8166.8-163.10000109.1E428 K432E428-S430 VanDerWaalsContact C-N 3.26Å; E428-S430 PolarHBondContact O-N 3.25Å; S430-K432 PolarHBondContact O-N 3.18Å
431T27.9Very low33.1Very low139 Ų139136.7 Ų136.785%0.85371%0.713SS**  trans-58.6102.9168.944.10000109.5
432K31.3Very low32.2Very low178 Ų178137.6 Ų137.677%0.77471%0.714SS**  trans-116.794.9161.1-79.7-170.7175178.60109.4S430 T434S430-K432 PolarHBondContact O-N 3.18Å; K432-T434 PolarHBondContact O-N 3.2Å
433E28Very low31.4Very low181 Ų181137.6 Ų137.685%0.84672%0.723SS**  trans-47.6123166.2-61.7164.3119.400109.2
434T30.2Very low31.2Very low121 Ų121142.3 Ų142.374%0.74273%0.731SS**  trans-114.995.4165.9-55.60000107.3K432 L436K432-T434 PolarHBondContact O-N 3.2Å; T434-L436 PolarHBondContact O-N 2.81Å
435Y26.3Very low30.7Very low211 Ų211143.6 Ų143.683%0.82775%0.745SS**  trans-61111.9174.4-129.7-96.2000109
436L28.7Very low30.5Very low156 Ų156147 Ų14782%0.81776%0.757SS**  trans-133.9137.1161.2-73.2178.8000108.3T434T434-L436 PolarHBondContact O-N 2.81Å
437Q27.8Very low30.4Very low164 Ų164146.9 Ų146.977%0.76676%0.756SS**  trans-77.7159.3-152.4-58.3-165.4-65.800113.3V439Q437-V439 PolarHBondContact O-N 3.27Å
438P30.1Very low30.2Very low105 Ų105147 Ų14768%0.68276%0.762SS**  trans-55.6125.8159.4-15.829.5000108.6D440P438-D440 PolarHBondContact O-N 3Å
439V34.2Very low30.3Very low136 Ų136143.8 Ų143.882%0.82476%0.759SS**  trans-77.199.4155.4-95.60000106.3Q437 F441Q437-V439 PolarHBondContact O-N 3.27Å; V439-F441 PolarHBondContact O-N 2.93Å
440D30.8Very low30.6Very low120 Ų120139.6 Ų139.664%0.64275%0.746SS**  trans-59.5103.8179.9-67.4-45.4000111P438 Y442P438-D440 PolarHBondContact O-N 3Å; D440-Y442 HydrophobicContact CB-CD2 4.09Å; D440-Y442 HydrophobicContact CB-CE2 4.18Å
441F32.7Very low30.9Very low162 Ų162143.4 Ų143.471%0.71176%0.759SS**  trans-107.686.6160.4-98.2-86.3000108.8V439 P443V439-F441 PolarHBondContact O-N 2.93Å; F441-P443 WeakPolarHBondContact O-CD 3.4Å
442Y31.6Very low31.3Very low167 Ų167141.2 Ų141.266%0.65575%0.749SS**  trans-65.4127.7175.4-91.2-92.5000111.4D440 Y444D440-Y442 HydrophobicContact CB-CD2 4.09Å; D440-Y442 HydrophobicContact CB-CE2 4.18Å; Y442-Y444 HydrophobicContact CD1-CD2 4.42Å; Y442-Y444 AromaticContact CD1-CE2 3.82Å; Y442-Y444 HydrophobicContact CD1-CE2 3.82Å; Y442-Y444 HydrophobicContact CE1-CE2 4.49Å; Y442-Y444 HydrophobicContact CG-CE2 4.49Å
443P30.9Very low31.7Very low109 Ų109140.2 Ų140.271%0.70875%0.747SS**  trans-84.5122162.432.7-28.3000109.2F441F441-P443 WeakPolarHBondContact O-CD 3.4Å
444Y33.4Very low32.1Very low204 Ų204142.2 Ų142.280%0.875%0.749SS**  trans-116.4101.3163.7-93.3-75.7000110.9Y442Y442-Y444 HydrophobicContact CD1-CD2 4.42Å; Y442-Y444 AromaticContact CD1-CE2 3.82Å; Y442-Y444 HydrophobicContact CD1-CE2 3.82Å; Y442-Y444 HydrophobicContact CE1-CE2 4.49Å; Y442-Y444 HydrophobicContact CG-CE2 4.49Å
445C31Very low32.4Very low105 Ų105140.3 Ų140.371%0.70975%0.753SS**  trans-90.2141.1168.5-680000110.4
446L30.8Very low32.9Very low151 Ų151138.2 Ų138.279%0.79176%0.755SS**  trans53.4112.4141.6-59.3170.4000119.6
447N30.8Very low33.4Very low148 Ų148135.9 Ų135.979%0.79175%0.749SS**  176.9121.8105.7-89-25.1000108.8
448A31.3Very low34Very low82 Ų82137.1 Ų137.168%0.67876%0.755SS**  83.1132.97500000113.5
449S33.2Very low34.7Very low108 Ų108137.3 Ų137.376%0.75576%0.759SS**  trans75.695.5161.6-530000119.6
450S33.6Very low35.2Very low103 Ų103135.8 Ų135.872%0.7275%0.754SS**  68.3151.2121.868.20000122.4
451L35.3Very low35.7Very low162 Ų162135.4 Ų135.485%0.84876%0.76SS**  trans79101.7156.9-75.1152.1000118.3
452S35.3Very low36.5Very low92 Ų92137.3 Ų137.364%0.64379%0.794SS**  trans-59.1154.1157.451.20000114.3
453Q39.3Very low36.7Very low158 Ų158135.8 Ų135.874%0.73880%0.801SS**  trans86.1118.3141.5-84.6175.15.900121.3
454Y36.6Very low37Very low222 Ų222137.2 Ų137.287%0.87181%0.806SS**  trans72.9130.1154.7-60.6-68.8000121.4
455G37.5Very low37.2Very low82 Ų82133.5 Ų133.585%0.84581%0.806SS**  trans131.788.2149.700000118.5
456I35.6Very low37.6Very low166 Ų166135.2 Ų135.285%0.85181%0.812SS**  trans-103160.2163.8-69.6173.6000107.2
457P40Very low38Very low108 Ų108134.2 Ų134.270%0.70181%0.813SS**  cis-134.9166.64.422.92.5000119.1
458Q39.7Very low38.5Very low190 Ų190133.3 Ų133.389%0.88882%0.815SS**  trans33132.3135.6-54.3-173.6-5.900124.8
459S44.1Very low39Very low109 Ų109136.9 Ų136.976%0.76282%0.824SS**  -167.6108.6123.434.60000108.8
460S45.3Very low39.4Very low104 Ų104139.2 Ų139.273%0.72783%0.83SS**  72.192.593.6730000116.7
461S40.6Very low39.9Very low111 Ų111142.2 Ų142.278%0.77684%0.839SS**  trans40.9109.9137.259.90000120.9
462S49.8Very low40.4Very low202 Ų202140.4 Ų140.4100%1.41384%0.838SS**  -159.20110.6-72.40000109.9

Retrieved 462 of 462 residues in 473.1 ms (Link to these results)

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