A0A3Q0KMV8_SCHMA Loading...

Putative brca1 associated ring domain

AlphaFold DB , UniProt , Accession A0A3Q0KMV8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 874 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
1M36.3Very low62.7Low242 Ų24299.2 Ų99.2100%1.19252%0.518SS*.  0133.80-67.7-179.7176.900108.2
2I40.2Very low63.9Low138 Ų13895.9 Ų95.971%0.70850%0.5SS*.  trans-66.3138.4161.4-61.2170.8000106.8L4I2-L4 PolarHBondContact O-N 2.77Å
3S50.6Low65.2Low46 Ų4696.2 Ų96.232%0.32250%0.498SS..  trans-66.5128.7-174.374.70000110.6S5 Q6 T7S3-S5 PolarHBondContact O-N 2.76Å; S3-S5 PolarHBondContact OG-OG 3.17Å; S3-Q6 WeakPolarHBondContact O-CB 3.19Å; S3-Q6 PolarHBondContact O-N 2.76Å; S3-Q6 WeakPolarHBondContact OG-CB 3.42Å; S3-Q6 WeakPolarHBondContact OG-CG 3.39Å; S3-Q6 PolarHBondContact OG-OE1 2.61Å; S3-T7 PolarHBondContact O-N 2.88Å; S3-T7 PolarHBondContact O-OG1 2.67Å
4L58.2Low66.2Low102 Ų10294.6 Ų94.653%0.53449%0.49SS..Hα-helixtrans-60.2-25.8-172.8-152.778.9000112.4I2 H8I2-L4 PolarHBondContact O-N 2.77Å; L4-H8 WeakPolarHBondContact O-CB 3.3Å; L4-H8 PolarHBondContact O-N 3.13Å
5S63.2Low66.7Low86 Ų8690.1 Ų90.160%0.60147%0.467SS*.Hα-helixtrans-67.3-44.117344.70000113.1S3 H8 R9S3-S5 PolarHBondContact O-N 2.76Å; S3-S5 PolarHBondContact OG-OG 3.17Å; S5-H8 PolarHBondContact O-N 3.23Å; S5-R9 WeakPolarHBondContact O-CB 3.1Å; S5-R9 PolarHBondContact O-N 3.31Å
6Q68Low67.4Low125 Ų12590.8 Ų90.858%0.58447%0.467SS*.Hα-helixtrans-62-45.5173.2-76.8166.7-42.400110.8S3 H8 R9 A10S3-Q6 WeakPolarHBondContact O-CB 3.19Å; S3-Q6 PolarHBondContact O-N 2.76Å; S3-Q6 WeakPolarHBondContact OG-CB 3.42Å; S3-Q6 WeakPolarHBondContact OG-CG 3.39Å; S3-Q6 PolarHBondContact OG-OE1 2.61Å; Q6-H8 VanDerWaalsContact C-N 3.32Å; Q6-H8 PolarHBondContact O-N 3.38Å; Q6-R9 PolarHBondContact O-N 3.4Å; Q6-A10 PolarHBondContact O-N 3.02Å
7T71.8Confident67.9Low59 Ų5993.7 Ų93.736%0.36248%0.483SS..Hα-helixtrans-60.4-43.2177.6-26.50000111.4S3 I11S3-T7 PolarHBondContact O-N 2.88Å; S3-T7 PolarHBondContact O-OG1 2.67Å; T7-I11 HydrophobicContact CG2-CD1 4.31Å; T7-I11 WeakPolarHBondContact O-CB 3.4Å; T7-I11 VanDerWaalsContact O-CD1 3.29Å; T7-I11 WeakPolarHBondContact O-CD1 3.42Å; T7-I11 WeakPolarHBondContact O-CG1 3.17Å; T7-I11 PolarHBondContact O-N 3.16Å
8H71.7Confident68.3Low52 Ų5289.1 Ų89.124%0.24146%0.459CS..Hα-helixtrans-66.6-36.9177.9-169.8-127000112.8L4 S5 Q6 I11 I12 T89 M90L4-H8 WeakPolarHBondContact O-CB 3.3Å; L4-H8 PolarHBondContact O-N 3.13Å; S5-H8 PolarHBondContact O-N 3.23Å; Q6-H8 VanDerWaalsContact C-N 3.32Å; Q6-H8 PolarHBondContact O-N 3.38Å; H8-I11 PolarHBondContact O-N 2.94Å; H8-I12 WeakPolarHBondContact O-CG1 3.38Å; H8-I12 PolarHBondContact O-N 3.45Å; H8-I12 VanDerWaalsContact O-N 3.1Å; H8-T89 PolarHBondContact CD2-OG1 3.48Å; H8-M90 VanDerWaalsContact NE2-CE 3.27Å; H8-M90 WeakPolarHBondContact NE2-CE 3.47Å
9R76Confident69.1Low177 Ų17789.2 Ų89.267%0.66845%0.453SS*.Hα-helixtrans-65-48.5176.9-156.1179.2-160.1147.15.6111.5S5 Q6 I11 I12 E13S5-R9 WeakPolarHBondContact O-CB 3.1Å; S5-R9 PolarHBondContact O-N 3.31Å; Q6-R9 PolarHBondContact O-N 3.4Å; R9-I11 VanDerWaalsContact C-N 3.3Å; R9-I11 PolarHBondContact O-N 3.33Å; R9-I12 WeakPolarHBondContact O-CA 3.31Å; R9-I12 WeakPolarHBondContact O-CB 3.43Å; R9-I12 PolarHBondContact O-N 3.32Å; R9-E13 PolarHBondContact O-N 3.02Å
10A75Confident70Confident50 Ų5084.8 Ų84.841%0.41343%0.43SS..Hα-helixtrans-61.4-35.8175.500000112.8Q6 I12 L14Q6-A10 PolarHBondContact O-N 3.02Å; A10-I12 VanDerWaalsContact C-N 3.3Å; A10-I12 PolarHBondContact O-N 3.34Å; A10-L14 WeakPolarHBondContact O-CB 3.35Å; A10-L14 PolarHBondContact O-N 3.17Å
11I78.7Confident70.6Confident14 Ų1484.7 Ų84.77%0.07243%0.431CS..Hα-helixtrans-66.3-31.4173.5-71.4160.9000111.9T7 H8 R9 L15 L85 K86 T89T7-I11 HydrophobicContact CG2-CD1 4.31Å; T7-I11 WeakPolarHBondContact O-CB 3.4Å; T7-I11 VanDerWaalsContact O-CD1 3.29Å; T7-I11 WeakPolarHBondContact O-CD1 3.42Å; T7-I11 WeakPolarHBondContact O-CG1 3.17Å; T7-I11 PolarHBondContact O-N 3.16Å; H8-I11 PolarHBondContact O-N 2.94Å; R9-I11 VanDerWaalsContact C-N 3.3Å; R9-I11 PolarHBondContact O-N 3.33Å; I11-L15 HydrophobicContact CG2-CD1 4.22Å; I11-L15 WeakPolarHBondContact O-CB 3.45Å; I11-L15 WeakPolarHBondContact O-CD1 3.46Å; I11-L15 VanDerWaalsContact O-CG 3.28Å; I11-L15 WeakPolarHBondContact O-CG 3.34Å; I11-L15 PolarHBondContact O-N 2.92Å; I11-L85 HydrophobicContact CD1-CB 3.82Å; I11-L85 HydrophobicContact CG1-CB 4.16Å; I11-K86 HydrophobicContact CG2-CB 3.78Å; I11-T89 HydrophobicContact CD1-CG2 3.82Å
12I77Confident72.8Confident60 Ų6076.8 Ų76.831%0.30839%0.394SS..Hα-helixtrans-72.5-53.8174.3-69.3165.5000109.7H8 R9 A10 L14 L15 E16H8-I12 WeakPolarHBondContact O-CG1 3.38Å; H8-I12 PolarHBondContact O-N 3.45Å; H8-I12 VanDerWaalsContact O-N 3.1Å; R9-I12 WeakPolarHBondContact O-CA 3.31Å; R9-I12 WeakPolarHBondContact O-CB 3.43Å; R9-I12 PolarHBondContact O-N 3.32Å; A10-I12 VanDerWaalsContact C-N 3.3Å; A10-I12 PolarHBondContact O-N 3.34Å; I12-L14 VanDerWaalsContact C-N 3.3Å; I12-L14 PolarHBondContact O-N 3.11Å; I12-L15 CarbonylContact O-C 3.59Å; I12-L15 WeakPolarHBondContact O-CA 3.42Å; I12-L15 WeakPolarHBondContact O-CB 3.44Å; I12-L15 PolarHBondContact O-N 3.09Å; I12-E16 HydrophobicContact CG2-CG 4.39Å; I12-E16 WeakPolarHBondContact O-CG 3.4Å; I12-E16 PolarHBondContact O-N 3.36Å
13E80.3Confident75Confident100 Ų10072.9 Ų72.947%0.46738%0.378SS..Hα-helixtrans-53.5-46.1179.1-70.1158.4-17900111.5R9 L15 E16 L17R9-E13 PolarHBondContact O-N 3.02Å; E13-L15 PolarHBondContact O-N 3.43Å; E13-E16 PolarHBondContact O-N 3.14Å; E13-L17 WeakPolarHBondContact O-CG 3.46Å; E13-L17 PolarHBondContact O-N 3.33Å
14L79.3Confident76.4Confident73 Ų7375.1 Ų75.138%0.38239%0.39SS..Hα-helixtrans-69.6-16.3177-167.3140.8000113.8A10 I12 M18 L78 A82A10-L14 WeakPolarHBondContact O-CB 3.35Å; A10-L14 PolarHBondContact O-N 3.17Å; I12-L14 VanDerWaalsContact C-N 3.3Å; I12-L14 PolarHBondContact O-N 3.11Å; L14-M18 WeakPolarHBondContact O-CG 3.31Å; L14-L78 HydrophobicContact CD2-CD2 4.3Å; L14-L78 HydrophobicContact CD2-CG 4.4Å; L14-A82 HydrophobicContact CD2-CB 3.58Å
15L74.5Confident77.4Confident28 Ų2872.7 Ų72.715%0.14738%0.381CS..Hα-helixtrans-90.4-17.8169.2-77.9170.6000113.2I11 I12 E13 A82 R83 K86I11-L15 HydrophobicContact CG2-CD1 4.22Å; I11-L15 WeakPolarHBondContact O-CB 3.45Å; I11-L15 WeakPolarHBondContact O-CD1 3.46Å; I11-L15 VanDerWaalsContact O-CG 3.28Å; I11-L15 WeakPolarHBondContact O-CG 3.34Å; I11-L15 PolarHBondContact O-N 2.92Å; I12-L15 CarbonylContact O-C 3.59Å; I12-L15 WeakPolarHBondContact O-CA 3.42Å; I12-L15 WeakPolarHBondContact O-CB 3.44Å; I12-L15 PolarHBondContact O-N 3.09Å; E13-L15 PolarHBondContact O-N 3.43Å; L15-A82 HydrophobicContact CD2-CB 3.66Å; L15-A82 HydrophobicContact CG-CB 3.99Å; L15-R83 HydrophobicContact CD2-CG 4.13Å; L15-K86 HydrophobicContact CD1-CB 3.96Å; L15-K86 HydrophobicContact CD1-CD 3.43Å; L15-K86 VanDerWaalsContact CD1-CD 3.43Å; L15-K86 HydrophobicContact CD1-CG 4.31Å
16E78.4Confident77.8Confident100 Ų10072.8 Ų72.847%0.46738%0.378SS..Hα-helixtrans-83.8-37.5173.9-60.9-158.8111.500111.7I12 E13 M18 R19I12-E16 HydrophobicContact CG2-CG 4.39Å; I12-E16 WeakPolarHBondContact O-CG 3.4Å; I12-E16 PolarHBondContact O-N 3.36Å; E13-E16 PolarHBondContact O-N 3.14Å; E16-M18 PolarHBondContact O-N 3.31Å; E16-M18 VanDerWaalsContact O-N 3.14Å; E16-R19 WeakPolarHBondContact O-CB 3.4Å; E16-R19 WeakPolarHBondContact O-CD 3.5Å; E16-R19 VanDerWaalsContact O-CG 3.3Å; E16-R19 WeakPolarHBondContact O-CG 3.22Å; E16-R19 PolarHBondContact O-N 3.01Å; E16-R19 IonicContact OE1-CZ 3.93Å; E16-R19 IonicContact OE1-NE 3.8Å; E16-R19 IonicContact OE1-NH2 2.74Å; E16-R19 PolarHBondContact OE1-NH2 2.82Å
17L74.9Confident78.1Confident141 Ų14167 Ų6774%0.73835%0.351SS*.THydrogen-bonded Turntrans-62.9-10.9166.6-67169.6000113.8E13E13-L17 WeakPolarHBondContact O-CG 3.46Å; E13-L17 PolarHBondContact O-N 3.33Å
18M75.6Confident78.1Confident10 Ų1070.2 Ų70.25%0.04936%0.362CS..THydrogen-bonded Turntrans-113.431.7-178.8-62.6-67.7-64.900112.3L14 E16 L27 L39 F75 L78 V79L14-M18 WeakPolarHBondContact O-CG 3.31Å; E16-M18 PolarHBondContact O-N 3.31Å; E16-M18 VanDerWaalsContact O-N 3.14Å; M18-L27 WeakPolarHBondContact O-CB 3.27Å; M18-L27 WeakPolarHBondContact O-CG 3.34Å; M18-L27 PolarHBondContact O-N 3.33Å; M18-L39 HydrophobicContact CE-CD2 4.25Å; M18-L39 HydrophobicContact SD-CD2 4.2Å; M18-F75 HydrophobicContact CE-CB 3.99Å; M18-F75 HydrophobicContact CE-CD1 3.92Å; M18-F75 HydrophobicContact CE-CG 4.37Å; M18-F75 WeakPolarHBondContact CE-O 3.21Å; M18-F75 HydrophobicContact SD-CD1 3.99Å; M18-F75 HydrophobicContact SD-CE1 4.48Å; M18-L78 HydrophobicContact CE-CB 4.26Å; M18-L78 HydrophobicContact CE-CD2 4.35Å; M18-L78 HydrophobicContact SD-CD2 4.05Å; M18-V79 HydrophobicContact CE-CG2 3.39Å
19R83.6Confident78.4Confident92 Ų9272.8 Ų72.835%0.34737%0.374SS..BIsolated β-bridgetrans-91.8161.1169.4-67.9171.6-179.1-116.619.4110.4E16 T24 S25 L27E16-R19 WeakPolarHBondContact O-CB 3.4Å; E16-R19 WeakPolarHBondContact O-CD 3.5Å; E16-R19 VanDerWaalsContact O-CG 3.3Å; E16-R19 WeakPolarHBondContact O-CG 3.22Å; E16-R19 PolarHBondContact O-N 3.01Å; E16-R19 IonicContact OE1-CZ 3.93Å; E16-R19 IonicContact OE1-NE 3.8Å; E16-R19 IonicContact OE1-NH2 2.74Å; E16-R19 PolarHBondContact OE1-NH2 2.82Å; R19-T24 WeakPolarHBondContact CB-O 3.45Å; R19-T24 WeakPolarHBondContact CG-O 3.41Å; R19-T24 PolarHBondContact NH1-O 3.36Å; R19-S25 WeakPolarHBondContact CA-O 3.47Å; R19-L27 WeakPolarHBondContact O-CD1 3.42Å
20C86.2Confident78.7Confident1 Ų164.4 Ų64.41%0.00734%0.342CS..  trans-73.2123.6172.8179.70000110.5N22 C23 T24 S25 L27 L39 C41C20-N22 PolarHBondContact O-N 3Å; C20-N22 VanDerWaalsContact O-N 3.15Å; C20-C23 PolarHBondContact O-N 2.73Å; C20-T24 WeakPolarHBondContact O-CA 3.2Å; C20-T24 PolarHBondContact O-N 3.37Å; C20-S25 PolarHBondContact N-O 3.46Å; C20-L27 HydrophobicContact CB-CD2 3.72Å; C20-L27 HydrophobicContact CB-CG 4.5Å; C20-L39 WeakPolarHBondContact CA-O 3.38Å; C20-C41 HydrophobicContact CB-CB 4.09Å; C20-C41 PolarHBondContact SG-N 3.33Å
21D83.8Confident79.1Confident82 Ų8263.4 Ų63.444%0.43933%0.329SS..THydrogen-bonded Turntrans-64.5-24-175-60.2-41.6000113.8H38 L39 V59D21-H38 WeakPolarHBondContact OD2-CA 3.32Å; D21-H38 IonicContact OD2-CD2 3.14Å; D21-L39 PolarHBondContact N-O 3.23Å; D21-L39 PolarHBondContact OD2-N 3.31Å; D21-V59 HydrophobicContact CB-CG2 4.05Å
22N82.9Confident79.4Confident77 Ų7763.9 Ų63.941%0.41233%0.332SS..THydrogen-bonded Turntrans-82.4-38.4177.9-174.613.3000113.1C20 L40 C44 V59C20-N22 PolarHBondContact O-N 3Å; C20-N22 VanDerWaalsContact O-N 3.15Å; N22-L40 HydrophobicContact CB-CD2 3.9Å; N22-C44 HydrophobicContact CB-CB 4.26Å; N22-V59 HydrophobicContact CB-CG2 3.96Å
23C85.1Confident79.5Confident55 Ų5561.1 Ų61.137%0.37232%0.319SS..THydrogen-bonded Turntrans-130.87-169.870.40000115.4C20 S25 C44C20-C23 PolarHBondContact O-N 2.73Å; C23-S25 PolarHBondContact O-N 2.89Å; C23-S25 PolarHBondContact SG-OG 3Å; C23-C44 PolarHBondContact SG-SG 3.3Å
24T80.7Confident79.2Confident93 Ų9359.9 Ų59.957%0.57133%0.333SS*.  trans56.21.9-179.375.20000116.9R19 C20R19-T24 WeakPolarHBondContact CB-O 3.45Å; R19-T24 WeakPolarHBondContact CG-O 3.41Å; R19-T24 PolarHBondContact NH1-O 3.36Å; C20-T24 WeakPolarHBondContact O-CA 3.2Å; C20-T24 PolarHBondContact O-N 3.37Å
25S78.2Confident79.3Confident52 Ų5260.9 Ų60.936%0.36434%0.342SS..PPolyproline II helixtrans-65.3143.6178.266.90000111.9R19 C20 C23 L27R19-S25 WeakPolarHBondContact CA-O 3.47Å; C20-S25 PolarHBondContact N-O 3.46Å; C23-S25 PolarHBondContact O-N 2.89Å; C23-S25 PolarHBondContact SG-OG 3Å; S25-L27 PolarHBondContact O-N 3.39Å
26T71.7Confident79.7Confident88 Ų8860.6 Ų60.654%0.5434%0.342SS..BIsolated β-bridgetrans-66.7124.9-178.3670000110.5R83T26-R83 PolarHBondContact OG1-NH2 2.97Å
27L75.3Confident79.7Confident2 Ų264.6 Ų64.61%0.0136%0.36CS..PPolyproline II helixtrans-65.9146.4-176.1-63.7170.9000111.6M18 R19 C20 S25 P30 L39 C41 V79 R83M18-L27 WeakPolarHBondContact O-CB 3.27Å; M18-L27 WeakPolarHBondContact O-CG 3.34Å; M18-L27 PolarHBondContact O-N 3.33Å; R19-L27 WeakPolarHBondContact O-CD1 3.42Å; C20-L27 HydrophobicContact CB-CD2 3.72Å; C20-L27 HydrophobicContact CB-CG 4.5Å; S25-L27 PolarHBondContact O-N 3.39Å; L27-P30 HydrophobicContact CB-CB 4.4Å; L27-P30 HydrophobicContact CD1-CB 3.89Å; L27-L39 HydrophobicContact CD1-CB 3.7Å; L27-L39 HydrophobicContact CD1-CD2 3.82Å; L27-L39 HydrophobicContact CD1-CG 4.26Å; L27-C41 HydrophobicContact CD2-CB 3.74Å; L27-V79 HydrophobicContact CB-CG2 4.4Å; L27-V79 WeakPolarHBondContact O-CG1 3.32Å; L27-R83 PolarHBondContact O-NH2 3.42Å
28H71.3Confident80.2Confident128 Ų12860.2 Ų60.259%0.59334%0.336SS*.SBendtrans-122.6-36.7178.3-145-42.2000112.2R83H28-R83 PolarHBondContact CD2-NH1 3.42Å; H28-R83 PolarHBondContact CE1-NH1 2.92Å; H28-R83 VanDerWaalsContact CE1-NH1 3.31Å; H28-R83 PolarHBondContact NE2-NH1 3.2Å
29Q77.7Confident80.7Confident106 Ų10660.5 Ų60.550%0.49534%0.338SS..SBendtrans-131.5110.4155.1-75.8-178.1-15.400106.3F31 V71Q29-F31 HydrophobicContact CB-CE2 4.29Å; Q29-F31 WeakPolarHBondContact O-CD2 3.31Å; Q29-F31 PolarHBondContact O-N 2.93Å; Q29-V71 HydrophobicContact CB-CG1 4.01Å; Q29-V71 HydrophobicContact CB-CG2 4.25Å; Q29-V71 HydrophobicContact CG-CG1 4.33Å
30P82.7Confident80.8Confident0 Ų056.1 Ų56.10%032%0.321CS..  trans-73.8117.6176.227.7-32.6000110.3L27 L39 V71 H72 F75 T76L27-P30 HydrophobicContact CB-CB 4.4Å; L27-P30 HydrophobicContact CD1-CB 3.89Å; P30-L39 HydrophobicContact CB-CD2 3.89Å; P30-L39 HydrophobicContact CB-CG 4.18Å; P30-V71 WeakPolarHBondContact O-CA 3.48Å; P30-H72 PolarHBondContact O-N 2.85Å; P30-F75 HydrophobicContact CB-CB 4.09Å; P30-F75 HydrophobicContact CG-CB 3.48Å; P30-F75 VanDerWaalsContact CG-CB 3.48Å; P30-T76 WeakPolarHBondContact CD-OG1 3.24Å
31F83.7Confident80.8Confident30 Ų3056.6 Ų56.613%0.13232%0.324CS..EExtended strand (participates in β ladder)trans-90.6137168.7-71.6-101.5000109.6Q29 L40 I45 Q70 V71Q29-F31 HydrophobicContact CB-CE2 4.29Å; Q29-F31 WeakPolarHBondContact O-CD2 3.31Å; Q29-F31 PolarHBondContact O-N 2.93Å; F31-L40 PolarHBondContact N-O 3.13Å; F31-L40 PolarHBondContact O-N 3.35Å; F31-I45 HydrophobicContact CB-CG2 3.88Å; F31-I45 HydrophobicContact CD1-CD1 3.74Å; F31-I45 HydrophobicContact CD1-CG2 4.48Å; F31-I45 HydrophobicContact CD2-CD1 4.06Å; F31-I45 HydrophobicContact CE1-CD1 3.6Å; F31-I45 HydrophobicContact CE2-CD1 3.96Å; F31-I45 HydrophobicContact CG-CD1 3.96Å; F31-I45 HydrophobicContact CG-CG2 4.1Å; F31-I45 HydrophobicContact CZ-CD1 3.72Å; F31-Q70 WeakPolarHBondContact CA-O 3.47Å; F31-V71 HydrophobicContact CD1-CG2 3.9Å; F31-V71 HydrophobicContact CD2-CG2 4.16Å; F31-V71 HydrophobicContact CE1-CG2 3.45Å; F31-V71 VanDerWaalsContact CE1-CG2 3.45Å; F31-V71 HydrophobicContact CE2-CG2 3.73Å; F31-V71 HydrophobicContact CG-CG2 4.24Å; F31-V71 HydrophobicContact CZ-CG2 3.35Å
32T85.5Confident80.8Confident23 Ų2356.6 Ų56.614%0.14133%0.33CS..EExtended strand (participates in β ladder)trans-121.8163.1166.683.10000109.1L39 F69 Q70 H72 F75T32-L39 HydrophobicContact CG2-CD1 3.8Å; T32-L39 HydrophobicContact CG2-CG 4.13Å; T32-F69 WeakPolarHBondContact O-CA 3.34Å; T32-Q70 PolarHBondContact N-O 3.18Å; T32-Q70 PolarHBondContact O-N 3.07Å; T32-H72 HydrophobicContact CG2-CB 4.1Å; T32-F75 HydrophobicContact CG2-CD2 4.25Å; T32-F75 HydrophobicContact CG2-CE2 4.43Å
33T78.2Confident80.7Confident3 Ų358 Ų582%0.01835%0.346CS..  trans-88.5-16.2178.560.10000113.5V35 C36 V64 F69T33-V35 PolarHBondContact O-N 2.93Å; T33-V35 PolarHBondContact OG1-N 3.31Å; T33-V35 VanDerWaalsContact OG1-N 3.11Å; T33-C36 PolarHBondContact OG1-N 3.14Å; T33-C36 PolarHBondContact OG1-O 3.25Å; T33-C36 PolarHBondContact OG1-SG 3.4Å; T33-V64 HydrophobicContact CG2-CB 4.4Å; T33-V64 HydrophobicContact CG2-CG1 3.84Å; T33-V64 HydrophobicContact CG2-CG2 4.11Å; T33-F69 HydrophobicContact CG2-CD1 3.94Å; T33-F69 HydrophobicContact CG2-CE1 3.64Å; T33-F69 HydrophobicContact CG2-CZ 4.08Å
34G73.9Confident80.6Confident74 Ų7456.4 Ų56.476%0.76334%0.336SS*.SBendtrans67.2-0-165.800000115.1
35V80.8Confident80.5Confident94 Ų9453.8 Ų53.857%0.5732%0.318SS*.SBendtrans-120.1-26.7-175.6-177.50000111.8T33 V62 V64T33-V35 PolarHBondContact O-N 2.93Å; T33-V35 PolarHBondContact OG1-N 3.31Å; T33-V35 VanDerWaalsContact OG1-N 3.11Å; V35-V62 HydrophobicContact CG1-CG1 4.02Å; V35-V64 HydrophobicContact CB-CG2 4.1Å; V35-V64 HydrophobicContact CG1-CG2 4.42Å; V35-V64 HydrophobicContact CG2-CG2 4.4Å
36C83.2Confident80Confident22 Ų2253.5 Ų53.515%0.14932%0.315CS..SBendtrans-137.3156.1171.266.60000109.5T33 H38 C57T33-C36 PolarHBondContact OG1-N 3.14Å; T33-C36 PolarHBondContact OG1-O 3.25Å; T33-C36 PolarHBondContact OG1-SG 3.4Å; C36-H38 VanDerWaalsContact C-N 3.25Å; C36-H38 PolarHBondContact O-N 3.05Å; C36-H38 PolarHBondContact SG-ND1 3.17Å; C36-C57 VanDerWaalsContact SG-SG 3.63Å
37E79.7Confident79.6Confident183 Ų18353.8 Ų53.886%0.85532%0.32SS*.  trans-75-12.7-169.6-54.1-166.6144.300114.3L39E37-L39 VanDerWaalsContact O-CD1 3.3Å; E37-L39 WeakPolarHBondContact O-CD1 3.44Å; E37-L39 PolarHBondContact O-N 3.02Å
38H85Confident78.7Confident50 Ų5063.9 Ų63.923%0.23136%0.358CS..  trans-56.6130-175.8-56.7104.2000114.3D21 C36 C60D21-H38 WeakPolarHBondContact OD2-CA 3.32Å; D21-H38 IonicContact OD2-CD2 3.14Å; C36-H38 VanDerWaalsContact C-N 3.25Å; C36-H38 PolarHBondContact O-N 3.05Å; C36-H38 PolarHBondContact SG-ND1 3.17Å; H38-C60 VanDerWaalsContact CE1-SG 3.53Å; H38-C60 PolarHBondContact ND1-SG 3.35Å
39L86Confident77.7Confident16 Ų1661.1 Ų61.18%0.08436%0.364CS..  trans-96.4124.6173.5-93.968.1000110.6M18 C20 D21 L27 P30 T32 E37 F75M18-L39 HydrophobicContact CE-CD2 4.25Å; M18-L39 HydrophobicContact SD-CD2 4.2Å; C20-L39 WeakPolarHBondContact CA-O 3.38Å; D21-L39 PolarHBondContact N-O 3.23Å; D21-L39 PolarHBondContact OD2-N 3.31Å; L27-L39 HydrophobicContact CD1-CB 3.7Å; L27-L39 HydrophobicContact CD1-CD2 3.82Å; L27-L39 HydrophobicContact CD1-CG 4.26Å; P30-L39 HydrophobicContact CB-CD2 3.89Å; P30-L39 HydrophobicContact CB-CG 4.18Å; T32-L39 HydrophobicContact CG2-CD1 3.8Å; T32-L39 HydrophobicContact CG2-CG 4.13Å; E37-L39 VanDerWaalsContact O-CD1 3.3Å; E37-L39 WeakPolarHBondContact O-CD1 3.44Å; E37-L39 PolarHBondContact O-N 3.02Å; L39-F75 HydrophobicContact CD1-CD2 4.13Å; L39-F75 HydrophobicContact CD1-CE2 3.86Å; L39-F75 HydrophobicContact CD1-CZ 4.23Å; L39-F75 HydrophobicContact CD2-CB 4.37Å; L39-F75 HydrophobicContact CD2-CD1 4.16Å; L39-F75 HydrophobicContact CD2-CD2 4.13Å; L39-F75 HydrophobicContact CD2-CE1 4.47Å; L39-F75 HydrophobicContact CD2-CE2 4.48Å; L39-F75 HydrophobicContact CD2-CG 4Å; L39-F75 HydrophobicContact CG-CD2 4.43Å
40L86.1Confident76.3Confident0 Ų061.2 Ų61.20%037%0.368CS..BIsolated β-bridgetrans-119.8146.3-174.9-62.3170.4000111.8N22 F31 C44 I45 P58 V59 F69N22-L40 HydrophobicContact CB-CD2 3.9Å; F31-L40 PolarHBondContact N-O 3.13Å; F31-L40 PolarHBondContact O-N 3.35Å; L40-C44 HydrophobicContact CD2-CB 4.27Å; L40-I45 HydrophobicContact CB-CG2 4Å; L40-I45 HydrophobicContact CD1-CG2 4.3Å; L40-P58 HydrophobicContact CD1-CG 3.79Å; L40-P58 HydrophobicContact CD2-CG 3.84Å; L40-P58 HydrophobicContact CG-CG 4.5Å; L40-V59 HydrophobicContact CD2-CG2 4.14Å; L40-F69 HydrophobicContact CD1-CD1 4.21Å; L40-F69 HydrophobicContact CD1-CE1 3.74Å
41C86.2Confident74.5Confident10 Ų1068 Ų687%0.06841%0.409CS..  trans-80.5162169.373.30000111.2C20 L27 S43 C44C20-C41 HydrophobicContact CB-CB 4.09Å; C20-C41 PolarHBondContact SG-N 3.33Å; L27-C41 HydrophobicContact CD2-CB 3.74Å; C41-S43 PolarHBondContact O-N 3.03Å; C41-C44 PolarHBondContact O-N 3.31Å
42S82.5Confident72.7Confident82 Ų8276.2 Ų76.257%0.57345%0.445SS*.THydrogen-bonded Turntrans-55.5-18.9175.451.40000114.8I45S42-I45 WeakPolarHBondContact O-CG1 3.48Å
43S81.1Confident70.9Confident106 Ų10677.9 Ų77.974%0.74146%0.461SS*.THydrogen-bonded Turntrans-89-18.7178.7-400000113.6C41C41-S43 PolarHBondContact O-N 3.03Å
44C83.6Confident69.6Low23 Ų2382.2 Ų82.216%0.15550%0.497CS..THydrogen-bonded Turntrans-102-6.9-175.7-74.20000113.7N22 C23 L40 C41N22-C44 HydrophobicContact CB-CB 4.26Å; C23-C44 PolarHBondContact SG-SG 3.3Å; L40-C44 HydrophobicContact CD2-CB 4.27Å; C41-C44 PolarHBondContact O-N 3.31Å
45I78.4Confident69.2Low37 Ų3780.3 Ų80.319%0.1947%0.472CS..SBendtrans-82.8141.6175.555.8177.3000111.2F31 L40 S42 S47 F69F31-I45 HydrophobicContact CB-CG2 3.88Å; F31-I45 HydrophobicContact CD1-CD1 3.74Å; F31-I45 HydrophobicContact CD1-CG2 4.48Å; F31-I45 HydrophobicContact CD2-CD1 4.06Å; F31-I45 HydrophobicContact CE1-CD1 3.6Å; F31-I45 HydrophobicContact CE2-CD1 3.96Å; F31-I45 HydrophobicContact CG-CD1 3.96Å; F31-I45 HydrophobicContact CG-CG2 4.1Å; F31-I45 HydrophobicContact CZ-CD1 3.72Å; L40-I45 HydrophobicContact CB-CG2 4Å; L40-I45 HydrophobicContact CD1-CG2 4.3Å; S42-I45 WeakPolarHBondContact O-CG1 3.48Å; I45-S47 PolarHBondContact O-N 3.05Å; I45-F69 HydrophobicContact CB-CD1 4.21Å; I45-F69 HydrophobicContact CG2-CB 4.42Å; I45-F69 HydrophobicContact CG2-CD1 3.61Å; I45-F69 HydrophobicContact CG2-CE1 4.22Å; I45-F69 HydrophobicContact CG2-CG 4.28Å
46P68Low69Low47 Ų4777.9 Ų77.931%0.30546%0.459SS..PPolyproline II helixtrans-57.2126.6175.9-25.634.9000112F69P46-F69 HydrophobicContact CG-CE2 4.23Å; P46-F69 HydrophobicContact CG-CZ 4.12Å
47S63.1Low68.9Low93 Ų9376.9 Ų76.965%0.6545%0.452SS*.PPolyproline II helixtrans-71.8133.6-174.761.70000111.9I45 G49 N50I45-S47 PolarHBondContact O-N 3.05Å; S47-G49 PolarHBondContact O-N 3.37Å; S47-N50 PolarHBondContact O-N 3.21Å
48R55.8Low68.9Low214 Ų21470.6 Ų70.681%0.80843%0.427SS*.THydrogen-bonded Turntrans-57.2-11.2-170.3-74.7-175.7172.6-179.7-1.5116.4
49G50.8Low68.7Low70 Ų7071 Ų7172%0.72243%0.433SS*.THydrogen-bonded Turntrans-84.8-24.4-178.800000115.2S47 V51S47-G49 PolarHBondContact O-N 3.37Å; G49-V51 PolarHBondContact O-N 2.93Å
50N49Very low68.8Low109 Ų10972.7 Ų72.758%0.58345%0.446SS*.  trans-99.572.4-164.4-152.7-5.7000113.6S47 K52 A53S47-N50 PolarHBondContact O-N 3.21Å; N50-K52 PolarHBondContact O-N 3.44Å; N50-A53 PolarHBondContact O-N 3Å
51V43.9Very low68.6Low142 Ų14276.9 Ų76.986%0.86148%0.475SS*.THydrogen-bonded Turntrans-59.1-9.7-171.9-1730000114.9G49G49-V51 PolarHBondContact O-N 2.93Å
52K45.4Very low68.3Low203 Ų20378.9 Ų78.988%0.88349%0.487SS*.THydrogen-bonded Turntrans-98.7-9.4-179.6-70.1-172.8176.8-177.90115.3N50N50-K52 PolarHBondContact O-N 3.44Å
53A47.6Very low68.2Low57 Ų5780 Ų8047%0.47149%0.492SS..SBendtrans-79125.6170.700000109.4N50 S55N50-A53 PolarHBondContact O-N 3Å; A53-S55 PolarHBondContact O-N 3.23Å
54A51.2Low67.9Low94 Ų9475.1 Ų75.178%0.77746%0.458SS*.  trans-58.2114.8166.800000107.7C56A54-C56 PolarHBondContact O-N 3.08Å
55S66.3Low67.5Low35 Ų3579.4 Ų79.425%0.24548%0.475CS..  trans-81.3106.7-175.924.10000108.5A53 V64A53-S55 PolarHBondContact O-N 3.23Å; S55-V64 CarbonylContact C-O 3.39Å; S55-V64 WeakPolarHBondContact CB-O 3.37Å; S55-V64 CarbonylContact O-C 3.42Å; S55-V64 PolarHBondContact O-N 3.28Å; S55-V64 PolarHBondContact OG-O 3Å
56C75.9Confident67.2Low43 Ų4379.3 Ų79.329%0.29148%0.48SS..BIsolated β-bridgetrans-117.5158.3174.4-64.20000109.4A54 S61 V62A54-C56 PolarHBondContact O-N 3.08Å; C56-S61 WeakPolarHBondContact CB-O 3.45Å; C56-S61 PolarHBondContact SG-O 3Å; C56-S61 VanDerWaalsContact SG-O 3.41Å; C56-V62 CarbonylContact C-O 3.18Å; C56-V62 VanDerWaalsContact CA-O 3.23Å; C56-V62 WeakPolarHBondContact CA-O 3.18Å
57C81.8Confident67.5Low1 Ų185 Ų851%0.00750%0.495CS..  trans-61.4127.3166.1-177.80000109.1C36 V59 S61 V62C36-C57 VanDerWaalsContact SG-SG 3.63Å; C57-V59 PolarHBondContact O-N 3.39Å; C57-V59 VanDerWaalsContact O-N 3.13Å; C57-S61 WeakPolarHBondContact O-CA 3.49Å; C57-S61 PolarHBondContact O-N 3.46Å; C57-V62 PolarHBondContact N-O 2.67Å
58P78.1Confident68.2Low51 Ų5182.6 Ų82.633%0.33148%0.475SS..THydrogen-bonded Turntrans-68.6-9.5-177.530.7-39.4000114.2L40L40-P58 HydrophobicContact CD1-CG 3.79Å; L40-P58 HydrophobicContact CD2-CG 3.84Å; L40-P58 HydrophobicContact CG-CG 4.5Å
59V82.8Confident69.4Low58 Ų5872.9 Ų72.935%0.35244%0.439SS..THydrogen-bonded Turntrans-97.4-60.9177.9-174.80000110.6D21 N22 L40 C57D21-V59 HydrophobicContact CB-CG2 4.05Å; N22-V59 HydrophobicContact CB-CG2 3.96Å; L40-V59 HydrophobicContact CD2-CG2 4.14Å; C57-V59 PolarHBondContact O-N 3.39Å; C57-V59 VanDerWaalsContact O-N 3.13Å
60C86.4Confident71Confident51 Ų5175.6 Ų75.635%0.34543%0.433SS..THydrogen-bonded Turntrans-98.55.1-175.5610000115.6H38 V62H38-C60 VanDerWaalsContact CE1-SG 3.53Å; H38-C60 PolarHBondContact ND1-SG 3.35Å; C60-V62 HydrophobicContact CB-CG2 4.32Å; C60-V62 PolarHBondContact O-N 3.21Å; C60-V62 VanDerWaalsContact SG-CG2 3.59Å
61S82.3Confident72.7Confident88 Ų8873 Ų7362%0.61542%0.421SS*.  trans57.26.9-179.5-61.50000117.1C56 C57C56-S61 WeakPolarHBondContact CB-O 3.45Å; C56-S61 PolarHBondContact SG-O 3Å; C56-S61 VanDerWaalsContact SG-O 3.41Å; C57-S61 WeakPolarHBondContact O-CA 3.49Å; C57-S61 PolarHBondContact O-N 3.46Å
62V81Confident74.4Confident53 Ų5369 Ų6932%0.32139%0.393SS..  trans-59.4130.8174.4173.90000110.4V35 C56 C57 C60 V64V35-V62 HydrophobicContact CG1-CG1 4.02Å; C56-V62 CarbonylContact C-O 3.18Å; C56-V62 VanDerWaalsContact CA-O 3.23Å; C56-V62 WeakPolarHBondContact CA-O 3.18Å; C57-V62 PolarHBondContact N-O 2.67Å; C60-V62 HydrophobicContact CB-CG2 4.32Å; C60-V62 PolarHBondContact O-N 3.21Å; C60-V62 VanDerWaalsContact SG-CG2 3.59Å; V62-V64 HydrophobicContact CG1-CG2 4.25Å; V62-V64 PolarHBondContact O-N 3.04Å
63P80.1Confident76Confident105 Ų10563.1 Ų63.168%0.68238%0.375SS*.BIsolated β-bridgetrans-69.1126178.727.5-34.2000111.8
64V74.3Confident77.4Confident4 Ų467 Ų672%0.02438%0.384CS..  trans-146.4125.2-172.4171.80000108T33 V35 S55 V62 D68 F69T33-V64 HydrophobicContact CG2-CB 4.4Å; T33-V64 HydrophobicContact CG2-CG1 3.84Å; T33-V64 HydrophobicContact CG2-CG2 4.11Å; V35-V64 HydrophobicContact CB-CG2 4.1Å; V35-V64 HydrophobicContact CG1-CG2 4.42Å; V35-V64 HydrophobicContact CG2-CG2 4.4Å; S55-V64 CarbonylContact C-O 3.39Å; S55-V64 WeakPolarHBondContact CB-O 3.37Å; S55-V64 CarbonylContact O-C 3.42Å; S55-V64 PolarHBondContact O-N 3.28Å; S55-V64 PolarHBondContact OG-O 3Å; V62-V64 HydrophobicContact CG1-CG2 4.25Å; V62-V64 PolarHBondContact O-N 3.04Å; V64-D68 HydrophobicContact CG1-CB 3.79Å; V64-F69 HydrophobicContact CB-CE2 4.12Å; V64-F69 HydrophobicContact CB-CZ 4.37Å; V64-F69 HydrophobicContact CG1-CD2 4Å; V64-F69 HydrophobicContact CG1-CE2 3.66Å; V64-F69 HydrophobicContact CG1-CZ 4.12Å
65H74.4Confident78.8Confident112 Ų11266 Ų6652%0.51936%0.362SS..  trans-68.1148-178-70.351.2000111.2R67 D68 F69H65-R67 HydrophobicContact CB-CG 4.1Å; H65-R67 PolarHBondContact O-N 3.24Å; H65-D68 WeakPolarHBondContact CA-OD2 3.45Å; H65-D68 VanDerWaalsContact CB-OD2 3.29Å; H65-D68 WeakPolarHBondContact CB-OD2 3.42Å; H65-D68 IonicContact CG-OD2 3.96Å; H65-D68 PolarHBondContact N-OD2 3Å; H65-D68 WeakPolarHBondContact O-CB 3.46Å; H65-D68 PolarHBondContact O-N 2.88Å; H65-F69 WeakPolarHBondContact O-CD2 3.26Å
66A72.1Confident79.4Confident35 Ų3565.6 Ų65.629%0.28936%0.358SS..THydrogen-bonded Turntrans-58.2-3.6176.100000116.1
67R74.2Confident79.6Confident166 Ų16666.8 Ų66.863%0.62637%0.366SS*.THydrogen-bonded Turntrans-96.9-18.7172.576.6-170.2172.4-164.9-12113.5H65 Q70H65-R67 HydrophobicContact CB-CG 4.1Å; H65-R67 PolarHBondContact O-N 3.24Å; R67-Q70 PolarHBondContact O-NE2 3.41Å
68D79.5Confident79.6Confident44 Ų4470.2 Ų70.224%0.23539%0.385CS..THydrogen-bonded Turntrans-84.7-23.1-174.6-47.8-25.1000110V64 H65 Q70V64-D68 HydrophobicContact CG1-CB 3.79Å; H65-D68 WeakPolarHBondContact CA-OD2 3.45Å; H65-D68 VanDerWaalsContact CB-OD2 3.29Å; H65-D68 WeakPolarHBondContact CB-OD2 3.42Å; H65-D68 IonicContact CG-OD2 3.96Å; H65-D68 PolarHBondContact N-OD2 3Å; H65-D68 WeakPolarHBondContact O-CB 3.46Å; H65-D68 PolarHBondContact O-N 2.88Å; D68-Q70 PolarHBondContact O-N 3.4Å; D68-Q70 VanDerWaalsContact O-N 3.08Å
69F81.2Confident79.7Confident9 Ų967.9 Ų67.94%0.03937%0.369CS..  trans-63103165.4-65.8-93.3000110.9T32 T33 L40 I45 P46 V64 H65T32-F69 WeakPolarHBondContact O-CA 3.34Å; T33-F69 HydrophobicContact CG2-CD1 3.94Å; T33-F69 HydrophobicContact CG2-CE1 3.64Å; T33-F69 HydrophobicContact CG2-CZ 4.08Å; L40-F69 HydrophobicContact CD1-CD1 4.21Å; L40-F69 HydrophobicContact CD1-CE1 3.74Å; I45-F69 HydrophobicContact CB-CD1 4.21Å; I45-F69 HydrophobicContact CG2-CB 4.42Å; I45-F69 HydrophobicContact CG2-CD1 3.61Å; I45-F69 HydrophobicContact CG2-CE1 4.22Å; I45-F69 HydrophobicContact CG2-CG 4.28Å; P46-F69 HydrophobicContact CG-CE2 4.23Å; P46-F69 HydrophobicContact CG-CZ 4.12Å; V64-F69 HydrophobicContact CB-CE2 4.12Å; V64-F69 HydrophobicContact CB-CZ 4.37Å; V64-F69 HydrophobicContact CG1-CD2 4Å; V64-F69 HydrophobicContact CG1-CE2 3.66Å; V64-F69 HydrophobicContact CG1-CZ 4.12Å; H65-F69 WeakPolarHBondContact O-CD2 3.26Å
70Q83.3Confident79.5Confident127 Ų12769.3 Ų69.359%0.59337%0.374SS*.EExtended strand (participates in β ladder)trans-128.3148.1-176.5-64.7-176.129.300111.8F31 T32 R67 D68 H72F31-Q70 WeakPolarHBondContact CA-O 3.47Å; T32-Q70 PolarHBondContact N-O 3.18Å; T32-Q70 PolarHBondContact O-N 3.07Å; R67-Q70 PolarHBondContact O-NE2 3.41Å; D68-Q70 PolarHBondContact O-N 3.4Å; D68-Q70 VanDerWaalsContact O-N 3.08Å; Q70-H72 PolarHBondContact O-N 2.91Å
71V84.8Confident79.3Confident54 Ų5470.7 Ų70.733%0.32738%0.381SS..EExtended strand (participates in β ladder)trans-73.6118.5176.7179.40000109.1Q29 P30 F31 P73 T76Q29-V71 HydrophobicContact CB-CG1 4.01Å; Q29-V71 HydrophobicContact CB-CG2 4.25Å; Q29-V71 HydrophobicContact CG-CG1 4.33Å; P30-V71 WeakPolarHBondContact O-CA 3.48Å; F31-V71 HydrophobicContact CD1-CG2 3.9Å; F31-V71 HydrophobicContact CD2-CG2 4.16Å; F31-V71 HydrophobicContact CE1-CG2 3.45Å; F31-V71 VanDerWaalsContact CE1-CG2 3.45Å; F31-V71 HydrophobicContact CE2-CG2 3.73Å; F31-V71 HydrophobicContact CG-CG2 4.24Å; F31-V71 HydrophobicContact CZ-CG2 3.35Å; V71-P73 WeakPolarHBondContact O-CD 3.5Å; V71-T76 VanDerWaalsContact CG1-OG1 3.25Å; V71-T76 WeakPolarHBondContact CG1-OG1 3.49Å
72H80.2Confident79.2Confident60 Ų6066.7 Ų66.728%0.27835%0.353SS..  trans-81.3119.8-177.9-163.2-120.4000110.8P30 T32 Q70 Q74 F75 T76P30-H72 PolarHBondContact O-N 2.85Å; T32-H72 HydrophobicContact CG2-CB 4.1Å; Q70-H72 PolarHBondContact O-N 2.91Å; H72-Q74 PolarHBondContact CE1-OE1 3.29Å; H72-Q74 PolarHBondContact O-N 3.23Å; H72-F75 HydrophobicContact CB-CB 4.27Å; H72-F75 HydrophobicContact CB-CD2 3.83Å; H72-F75 AromaticContact CG-CD2 3.74Å; H72-F75 AromaticContact ND1-CD2 3.12Å; H72-F75 WeakPolarHBondContact ND1-CD2 3.44Å; H72-F75 AromaticContact ND1-CE2 3.67Å; H72-F75 AromaticContact ND1-CG 3.8Å; H72-F75 PolarHBondContact O-N 3.26Å; H72-T76 WeakPolarHBondContact O-CB 3.46Å; H72-T76 PolarHBondContact O-N 3.44Å; H72-T76 PolarHBondContact O-OG1 2.85Å
73P77.7Confident79Confident78 Ų7867.6 Ų67.651%0.50635%0.351SS..Hα-helixtrans-68.2-34.5-170.125.4-34.1000112.9V71 S77V71-P73 WeakPolarHBondContact O-CD 3.5Å; P73-S77 WeakPolarHBondContact O-CB 3.39Å; P73-S77 PolarHBondContact O-N 2.98Å; P73-S77 PolarHBondContact O-OG 3.15Å
74Q77.1Confident79Confident140 Ų14071.6 Ų71.665%0.65435%0.352SS*.Hα-helixtrans-67.3-50.9177.1-67174.8-16.200111.2H72 T76 S77 L78H72-Q74 PolarHBondContact CE1-OE1 3.29Å; H72-Q74 PolarHBondContact O-N 3.23Å; Q74-T76 VanDerWaalsContact C-N 3.31Å; Q74-T76 PolarHBondContact O-N 2.98Å; Q74-S77 WeakPolarHBondContact O-CB 3.37Å; Q74-S77 PolarHBondContact O-N 3.3Å; Q74-S77 VanDerWaalsContact O-N 3.1Å; Q74-L78 PolarHBondContact O-N 2.98Å
75F80.8Confident79.1Confident73 Ų7375 Ų7532%0.3237%0.37SS..Hα-helixtrans-62.3-37.6177.1-73.9-54.5000112M18 P30 T32 L39 H72 S77 L78 V79M18-F75 HydrophobicContact CE-CB 3.99Å; M18-F75 HydrophobicContact CE-CD1 3.92Å; M18-F75 HydrophobicContact CE-CG 4.37Å; M18-F75 WeakPolarHBondContact CE-O 3.21Å; M18-F75 HydrophobicContact SD-CD1 3.99Å; M18-F75 HydrophobicContact SD-CE1 4.48Å; P30-F75 HydrophobicContact CB-CB 4.09Å; P30-F75 HydrophobicContact CG-CB 3.48Å; P30-F75 VanDerWaalsContact CG-CB 3.48Å; T32-F75 HydrophobicContact CG2-CD2 4.25Å; T32-F75 HydrophobicContact CG2-CE2 4.43Å; L39-F75 HydrophobicContact CD1-CD2 4.13Å; L39-F75 HydrophobicContact CD1-CE2 3.86Å; L39-F75 HydrophobicContact CD1-CZ 4.23Å; L39-F75 HydrophobicContact CD2-CB 4.37Å; L39-F75 HydrophobicContact CD2-CD1 4.16Å; L39-F75 HydrophobicContact CD2-CD2 4.13Å; L39-F75 HydrophobicContact CD2-CE1 4.47Å; L39-F75 HydrophobicContact CD2-CE2 4.48Å; L39-F75 HydrophobicContact CD2-CG 4Å; L39-F75 HydrophobicContact CG-CD2 4.43Å; H72-F75 HydrophobicContact CB-CB 4.27Å; H72-F75 HydrophobicContact CB-CD2 3.83Å; H72-F75 AromaticContact CG-CD2 3.74Å; H72-F75 AromaticContact ND1-CD2 3.12Å; H72-F75 WeakPolarHBondContact ND1-CD2 3.44Å; H72-F75 AromaticContact ND1-CE2 3.67Å; H72-F75 AromaticContact ND1-CG 3.8Å; H72-F75 PolarHBondContact O-N 3.26Å; F75-S77 VanDerWaalsContact C-N 3.31Å; F75-S77 PolarHBondContact O-N 3.26Å; F75-L78 WeakPolarHBondContact O-CB 3.17Å; F75-L78 PolarHBondContact O-N 3.15Å; F75-V79 WeakPolarHBondContact O-CG2 3.28Å; F75-V79 PolarHBondContact O-N 3.28Å
76T79.4Confident79.2Confident25 Ų2573.8 Ų73.815%0.15336%0.363CS..Hα-helixtrans-60.2-42173.8-53.50000111.5P30 V71 H72 Q74 L80P30-T76 WeakPolarHBondContact CD-OG1 3.24Å; V71-T76 VanDerWaalsContact CG1-OG1 3.25Å; V71-T76 WeakPolarHBondContact CG1-OG1 3.49Å; H72-T76 WeakPolarHBondContact O-CB 3.46Å; H72-T76 PolarHBondContact O-N 3.44Å; H72-T76 PolarHBondContact O-OG1 2.85Å; Q74-T76 VanDerWaalsContact C-N 3.31Å; Q74-T76 PolarHBondContact O-N 2.98Å; T76-L80 WeakPolarHBondContact O-CG 3.33Å; T76-L80 PolarHBondContact O-N 2.96Å
77S79.5Confident79.5Confident68 Ų6879.4 Ų79.448%0.47638%0.381SS..Hα-helixtrans-65.8-40.3175-55.50000111.5P73 Q74 F75 L80 V81P73-S77 WeakPolarHBondContact O-CB 3.39Å; P73-S77 PolarHBondContact O-N 2.98Å; P73-S77 PolarHBondContact O-OG 3.15Å; Q74-S77 WeakPolarHBondContact O-CB 3.37Å; Q74-S77 PolarHBondContact O-N 3.3Å; Q74-S77 VanDerWaalsContact O-N 3.1Å; F75-S77 VanDerWaalsContact C-N 3.31Å; F75-S77 PolarHBondContact O-N 3.26Å; S77-L80 PolarHBondContact O-N 3.41Å; S77-V81 WeakPolarHBondContact O-CG2 3.35Å; S77-V81 PolarHBondContact O-N 3.43Å
78L82.2Confident79.3Confident74 Ų7476.8 Ų76.839%0.38738%0.379SS..Hα-helixtrans-62-46.1177.7-149.481.6000111.9L14 M18 Q74 F75 L80 V81 A82L14-L78 HydrophobicContact CD2-CD2 4.3Å; L14-L78 HydrophobicContact CD2-CG 4.4Å; M18-L78 HydrophobicContact CE-CB 4.26Å; M18-L78 HydrophobicContact CE-CD2 4.35Å; M18-L78 HydrophobicContact SD-CD2 4.05Å; Q74-L78 PolarHBondContact O-N 2.98Å; F75-L78 WeakPolarHBondContact O-CB 3.17Å; F75-L78 PolarHBondContact O-N 3.15Å; L78-L80 VanDerWaalsContact C-N 3.29Å; L78-L80 PolarHBondContact O-N 2.92Å; L78-V81 PolarHBondContact O-N 2.96Å; L78-A82 WeakPolarHBondContact O-CB 3.4Å; L78-A82 PolarHBondContact O-N 3.34Å
79V80.3Confident78.9Confident2 Ų275.5 Ų75.51%0.01237%0.373CS..Hα-helixtrans-54.1-45.9172.7170.30000111.1M18 L27 F75 R83M18-V79 HydrophobicContact CE-CG2 3.39Å; L27-V79 HydrophobicContact CB-CG2 4.4Å; L27-V79 WeakPolarHBondContact O-CG1 3.32Å; F75-V79 WeakPolarHBondContact O-CG2 3.28Å; F75-V79 PolarHBondContact O-N 3.28Å; V79-R83 VanDerWaalsContact O-CB 3.31Å; V79-R83 WeakPolarHBondContact O-CB 3.33Å; V79-R83 WeakPolarHBondContact O-CG 3.44Å; V79-R83 PolarHBondContact O-N 3.09Å
80L79.3Confident78.1Confident87 Ų8779 Ų7946%0.45539%0.39SS..Hα-helixtrans-67.6-40.1-177.9-72.2167.9000112.2T76 S77 L78 R84T76-L80 WeakPolarHBondContact O-CG 3.33Å; T76-L80 PolarHBondContact O-N 2.96Å; S77-L80 PolarHBondContact O-N 3.41Å; L78-L80 VanDerWaalsContact C-N 3.29Å; L78-L80 PolarHBondContact O-N 2.92Å; L80-R84 WeakPolarHBondContact O-CB 3.31Å; L80-R84 VanDerWaalsContact O-CG 3.28Å; L80-R84 WeakPolarHBondContact O-CG 3.26Å; L80-R84 PolarHBondContact O-N 3.14Å; L80-R84 VanDerWaalsContact O-N 3.08Å
81V81Confident76.8Confident81 Ų8177.2 Ų77.249%0.49139%0.385SS..Hα-helixtrans-67.2-50.5175.5172.20000110.8S77 L78 R83 R84 L85S77-V81 WeakPolarHBondContact O-CG2 3.35Å; S77-V81 PolarHBondContact O-N 3.43Å; L78-V81 PolarHBondContact O-N 2.96Å; V81-R83 VanDerWaalsContact C-N 3.33Å; V81-R83 PolarHBondContact O-N 3.28Å; V81-R84 WeakPolarHBondContact O-CB 3.29Å; V81-R84 PolarHBondContact O-N 3.49Å; V81-R84 VanDerWaalsContact O-N 3.08Å; V81-L85 HydrophobicContact CG1-CD1 3.88Å; V81-L85 HydrophobicContact CG1-CG 4.33Å; V81-L85 WeakPolarHBondContact O-CG 3.38Å; V81-L85 PolarHBondContact O-N 2.89Å
82A80.4Confident75.2Confident3 Ų377.9 Ų77.93%0.02539%0.389CS..Hα-helixtrans-59.3-42-179.800000112.4L14 L15 L78 L85 K86L14-A82 HydrophobicContact CD2-CB 3.58Å; L15-A82 HydrophobicContact CD2-CB 3.66Å; L15-A82 HydrophobicContact CG-CB 3.99Å; L78-A82 WeakPolarHBondContact O-CB 3.4Å; L78-A82 PolarHBondContact O-N 3.34Å; A82-L85 PolarHBondContact O-N 3.05Å; A82-K86 PolarHBondContact O-N 3.33Å
83R77.3Confident73.7Confident72 Ų7278.5 Ų78.527%0.27240%0.4SS..Hα-helixtrans-66.9-36.7174.3-75.4176.7166.9-174-5.4113L15 T26 L27 H28 V79 V81 K87L15-R83 HydrophobicContact CD2-CG 4.13Å; T26-R83 PolarHBondContact OG1-NH2 2.97Å; L27-R83 PolarHBondContact O-NH2 3.42Å; H28-R83 PolarHBondContact CD2-NH1 3.42Å; H28-R83 PolarHBondContact CE1-NH1 2.92Å; H28-R83 VanDerWaalsContact CE1-NH1 3.31Å; H28-R83 PolarHBondContact NE2-NH1 3.2Å; V79-R83 VanDerWaalsContact O-CB 3.31Å; V79-R83 WeakPolarHBondContact O-CB 3.33Å; V79-R83 WeakPolarHBondContact O-CG 3.44Å; V79-R83 PolarHBondContact O-N 3.09Å; V81-R83 VanDerWaalsContact C-N 3.33Å; V81-R83 PolarHBondContact O-N 3.28Å; R83-K87 WeakPolarHBondContact O-CB 3.42Å; R83-K87 PolarHBondContact O-N 3.12Å; R83-K87 VanDerWaalsContact O-N 3.11Å
84R79.1Confident72.1Confident189 Ų18981.2 Ų81.271%0.71341%0.406SS*.Hα-helixtrans-64.9-45.6173.2-78.8174.6176.2-169.8-0.7111.4L80 V81 K87 L88L80-R84 WeakPolarHBondContact O-CB 3.31Å; L80-R84 VanDerWaalsContact O-CG 3.28Å; L80-R84 WeakPolarHBondContact O-CG 3.26Å; L80-R84 PolarHBondContact O-N 3.14Å; L80-R84 VanDerWaalsContact O-N 3.08Å; V81-R84 WeakPolarHBondContact O-CB 3.29Å; V81-R84 PolarHBondContact O-N 3.49Å; V81-R84 VanDerWaalsContact O-N 3.08Å; R84-K87 PolarHBondContact O-N 3.49Å; R84-L88 WeakPolarHBondContact O-CG 3.28Å; R84-L88 PolarHBondContact O-N 2.87Å
85L76.8Confident70.4Confident77 Ų7781.2 Ų81.240%0.40340%0.404SS..Hα-helixtrans-59.8-48.3176.5-70.3171.9000111.6I11 V81 A82 K87 L88 T89I11-L85 HydrophobicContact CD1-CB 3.82Å; I11-L85 HydrophobicContact CG1-CB 4.16Å; V81-L85 HydrophobicContact CG1-CD1 3.88Å; V81-L85 HydrophobicContact CG1-CG 4.33Å; V81-L85 WeakPolarHBondContact O-CG 3.38Å; V81-L85 PolarHBondContact O-N 2.89Å; A82-L85 PolarHBondContact O-N 3.05Å; L85-K87 VanDerWaalsContact C-N 3.26Å; L85-K87 PolarHBondContact O-N 2.97Å; L85-L88 WeakPolarHBondContact O-CB 3.44Å; L85-L88 PolarHBondContact O-N 3.01Å; L85-L88 VanDerWaalsContact O-N 3.1Å; L85-T89 PolarHBondContact O-N 3.31Å; L85-T89 PolarHBondContact O-OG1 3.03Å
86K77.8Confident68.5Low86 Ų8685.2 Ų85.237%0.37442%0.421SS..Hα-helixtrans-57.7-36.8174.7-177.8164.6179.4168.80112.8I11 L15 A82 T89 M90I11-K86 HydrophobicContact CG2-CB 3.78Å; L15-K86 HydrophobicContact CD1-CB 3.96Å; L15-K86 HydrophobicContact CD1-CD 3.43Å; L15-K86 VanDerWaalsContact CD1-CD 3.43Å; L15-K86 HydrophobicContact CD1-CG 4.31Å; A82-K86 PolarHBondContact O-N 3.33Å; K86-T89 WeakPolarHBondContact CA-OG1 3.15Å; K86-T89 PolarHBondContact O-OG1 3.16Å; K86-T89 VanDerWaalsContact O-OG1 3.08Å; K86-M90 HydrophobicContact CG-CG 4.41Å; K86-M90 WeakPolarHBondContact O-CB 3.5Å; K86-M90 WeakPolarHBondContact O-CG 3.37Å; K86-M90 PolarHBondContact O-N 3.1Å; K86-M90 VanDerWaalsContact O-N 3.08Å
87K77.4Confident66.4Low152 Ų15286.3 Ų86.366%0.66143%0.433SS*.Hα-helixtrans-69.8-36.4177.7-151.7173.2-172.1-178.10112R83 R84 L85 N91R83-K87 WeakPolarHBondContact O-CB 3.42Å; R83-K87 PolarHBondContact O-N 3.12Å; R83-K87 VanDerWaalsContact O-N 3.11Å; R84-K87 PolarHBondContact O-N 3.49Å; L85-K87 VanDerWaalsContact C-N 3.26Å; L85-K87 PolarHBondContact O-N 2.97Å; K87-N91 VanDerWaalsContact O-CG 3.27Å; K87-N91 PolarHBondContact O-N 3.35Å; K87-N91 PolarHBondContact O-OD1 3.38Å
88L70.3Confident64.4Low111 Ų11187.7 Ų87.758%0.58144%0.435SS*.Hα-helixtrans-67.3-46.4173.9-68.8167.1000111.8R84 L85 M90 N91 T92R84-L88 WeakPolarHBondContact O-CG 3.28Å; R84-L88 PolarHBondContact O-N 2.87Å; L85-L88 WeakPolarHBondContact O-CB 3.44Å; L85-L88 PolarHBondContact O-N 3.01Å; L85-L88 VanDerWaalsContact O-N 3.1Å; L88-M90 PolarHBondContact O-N 3.11Å; L88-N91 PolarHBondContact O-N 3.04Å; L88-T92 PolarHBondContact O-N 2.97Å; L88-T92 PolarHBondContact O-OG1 3.27Å
89T70.2Confident62.2Low17 Ų1788.5 Ų88.510%0.10444%0.44CS..Hα-helixtrans-65.8-37.5-179.7550000112.8H8 I11 L85 K86 T92 S93H8-T89 PolarHBondContact CD2-OG1 3.48Å; I11-T89 HydrophobicContact CD1-CG2 3.82Å; L85-T89 PolarHBondContact O-N 3.31Å; L85-T89 PolarHBondContact O-OG1 3.03Å; K86-T89 WeakPolarHBondContact CA-OG1 3.15Å; K86-T89 PolarHBondContact O-OG1 3.16Å; K86-T89 VanDerWaalsContact O-OG1 3.08Å; T89-T92 WeakPolarHBondContact CA-OG1 3.33Å; T89-T92 PolarHBondContact O-N 3.18Å; T89-T92 PolarHBondContact O-OG1 2.93Å; T89-S93 PolarHBondContact O-N 3.47Å; T89-S93 PolarHBondContact O-OG 3.39Å
90M65.2Low60Low83 Ų8392.3 Ų92.341%0.40947%0.467SS..Hα-helixtrans-61.3-47.1173.3-72.9-77.7112.800111.6H8 K86 L88 T92 S93 Q94H8-M90 VanDerWaalsContact NE2-CE 3.27Å; H8-M90 WeakPolarHBondContact NE2-CE 3.47Å; K86-M90 HydrophobicContact CG-CG 4.41Å; K86-M90 WeakPolarHBondContact O-CB 3.5Å; K86-M90 WeakPolarHBondContact O-CG 3.37Å; K86-M90 PolarHBondContact O-N 3.1Å; K86-M90 VanDerWaalsContact O-N 3.08Å; L88-M90 PolarHBondContact O-N 3.11Å; M90-T92 VanDerWaalsContact C-N 3.34Å; M90-T92 PolarHBondContact O-N 3.3Å; M90-S93 PolarHBondContact O-N 3.19Å; M90-S93 VanDerWaalsContact O-N 3.16Å; M90-Q94 PolarHBondContact O-N 3.31Å; M90-Q94 VanDerWaalsContact O-N 3.16Å
91N56.9Low57.8Low90 Ų9095.4 Ų95.448%0.48148%0.479SS..Hα-helixtrans-63.1-37.6179.5-73.516000112.4K87 L88 S93 Q94 K95K87-N91 VanDerWaalsContact O-CG 3.27Å; K87-N91 PolarHBondContact O-N 3.35Å; K87-N91 PolarHBondContact O-OD1 3.38Å; L88-N91 PolarHBondContact O-N 3.04Å; N91-S93 VanDerWaalsContact C-N 3.29Å; N91-S93 PolarHBondContact O-N 3.07Å; N91-Q94 PolarHBondContact O-N 2.91Å; N91-K95 PolarHBondContact O-N 3.03Å
92T51.2Low55.4Low68 Ų6898 Ų9842%0.41749%0.49SS..Hα-helixtrans-65.9-30175.646.90000113.5L88 T89 M90 K96L88-T92 PolarHBondContact O-N 2.97Å; L88-T92 PolarHBondContact O-OG1 3.27Å; T89-T92 WeakPolarHBondContact CA-OG1 3.33Å; T89-T92 PolarHBondContact O-N 3.18Å; T89-T92 PolarHBondContact O-OG1 2.93Å; M90-T92 VanDerWaalsContact C-N 3.34Å; M90-T92 PolarHBondContact O-N 3.3Å; T92-K96 PolarHBondContact O-N 3.17Å
93S48.5Very low52.9Low72 Ų72102.5 Ų102.550%0.50352%0.521SS..Hα-helixtrans-72.9-41.7175.6-59.80000112T89 M90 N91 A97T89-S93 PolarHBondContact O-N 3.47Å; T89-S93 PolarHBondContact O-OG 3.39Å; M90-S93 PolarHBondContact O-N 3.19Å; M90-S93 VanDerWaalsContact O-N 3.16Å; N91-S93 VanDerWaalsContact C-N 3.29Å; N91-S93 PolarHBondContact O-N 3.07Å; S93-A97 PolarHBondContact O-N 3.07Å
94Q42.7Very low50.7Low135 Ų135105.9 Ų105.963%0.63154%0.543SS*.Hα-helixtrans-65.2-40174.8-73.3-175.4-33.600112.1M90 N91 K96 A97 N98M90-Q94 PolarHBondContact O-N 3.31Å; M90-Q94 VanDerWaalsContact O-N 3.16Å; N91-Q94 PolarHBondContact O-N 2.91Å; Q94-K96 PolarHBondContact O-N 3.45Å; Q94-A97 WeakPolarHBondContact O-CB 3.36Å; Q94-A97 PolarHBondContact O-N 3.12Å; Q94-N98 PolarHBondContact O-N 3.45Å
95K41.7Very low48.5Very low141 Ų141104.8 Ų104.861%0.61355%0.549SS*.Hα-helixtrans-63.4-44.3-179.9-151.2-180-177.6-173.20111.9N91 A97 N98 D99N91-K95 PolarHBondContact O-N 3.03Å; K95-A97 VanDerWaalsContact C-N 3.28Å; K95-A97 PolarHBondContact O-N 3.32Å; K95-N98 PolarHBondContact O-N 3.42Å; K95-D99 WeakPolarHBondContact O-CB 3.45Å; K95-D99 PolarHBondContact O-N 3.34Å
96K41.4Very low46Very low156 Ų156109 Ų10968%0.67857%0.567SS**Hα-helixtrans-60.6-32.3175.4-79-166.2170.6-165.70114.3T92 Q94 S100T92-K96 PolarHBondContact O-N 3.17Å; Q94-K96 PolarHBondContact O-N 3.45Å; K96-S100 WeakPolarHBondContact O-CB 3.43Å; K96-S100 PolarHBondContact O-N 3.4Å; K96-S100 VanDerWaalsContact O-N 3.11Å; K96-S100 PolarHBondContact O-OG 2.92Å
97A36.3Very low43.5Very low49 Ų49110.7 Ų110.741%0.40558%0.58SS.*Hα-helixtrans-64.6-47.8174.800000111.2S93 Q94 K95 S100 Q101S93-A97 PolarHBondContact O-N 3.07Å; Q94-A97 WeakPolarHBondContact O-CB 3.36Å; Q94-A97 PolarHBondContact O-N 3.12Å; K95-A97 VanDerWaalsContact C-N 3.28Å; K95-A97 PolarHBondContact O-N 3.32Å; A97-S100 PolarHBondContact O-N 3.28Å; A97-S100 PolarHBondContact O-OG 3.05Å; A97-Q101 PolarHBondContact O-N 2.67Å
98N35.8Very low41.2Very low97 Ų97110.5 Ų110.552%0.51959%0.587SS.*Hα-helixtrans-67.7-41.6178.5-65.513000112Q94 K95 S100 Q101 N102Q94-N98 PolarHBondContact O-N 3.45Å; K95-N98 PolarHBondContact O-N 3.42Å; N98-S100 PolarHBondContact O-N 3.18Å; N98-Q101 PolarHBondContact O-N 2.87Å; N98-N102 PolarHBondContact O-N 2.66Å
99D35.9Very low39.2Very low90 Ų90112.7 Ų112.748%0.48160%0.597SS.*Hα-helixtrans-61.3-32177.4-62.3-26.9000111.2K95 Q101K95-D99 WeakPolarHBondContact O-CB 3.45Å; K95-D99 PolarHBondContact O-N 3.34Å; D99-Q101 VanDerWaalsContact C-N 3.32Å; D99-Q101 PolarHBondContact O-N 2.99Å
100S34.6Very low37.4Very low83 Ų83117 Ų11758%0.5863%0.625SS**THydrogen-bonded Turntrans-77.2-7.5175.269.30000115.7K96 A97 N98K96-S100 WeakPolarHBondContact O-CB 3.43Å; K96-S100 PolarHBondContact O-N 3.4Å; K96-S100 VanDerWaalsContact O-N 3.11Å; K96-S100 PolarHBondContact O-OG 2.92Å; A97-S100 PolarHBondContact O-N 3.28Å; A97-S100 PolarHBondContact O-OG 3.05Å; N98-S100 PolarHBondContact O-N 3.18Å
101Q34Very low35.4Very low152 Ų152120.5 Ų120.571%0.7165%0.646SS**THydrogen-bonded Turntrans-101-17.5172.3-69.1-172.9-44.500112.9A97 N98 D99A97-Q101 PolarHBondContact O-N 2.67Å; N98-Q101 PolarHBondContact O-N 2.87Å; D99-Q101 VanDerWaalsContact C-N 3.32Å; D99-Q101 PolarHBondContact O-N 2.99Å
102N29.9Very low33.8Very low136 Ų136120.1 Ų120.173%0.72766%0.655SS**THydrogen-bonded Turntrans-947.8-178.1-73.7-20.1000114.5N98N98-N102 PolarHBondContact O-N 2.66Å
103S28.4Very low32.6Very low96 Ų96122.7 Ų122.767%0.67167%0.671SS**THydrogen-bonded Turntrans-95.412175.669.80000114.1
104I31.4Very low31.5Very low143 Ų143128 Ų12873%0.73369%0.685SS**SBendtrans-135.679.1175.2-50.5178.5000109.4
105I31.2Very low30.6Very low166 Ų166128.5 Ų128.585%0.85169%0.692SS**  trans-173.3129.3146.6-97.2150.5000106.8
106E24.6Very low29.9Very low165 Ų165129.7 Ų129.777%0.77170%0.7SS**  trans-93.6156.5178.8-71.6-171.3114.500112.3
107N26.7Very low29.2Very low123 Ų123129 Ų12966%0.65871%0.708SS**  trans45.4108.8146-55.9-29.8000118.9
108N27.2Very low28.8Very low148 Ų148132.4 Ų132.479%0.79172%0.724SS**  175.9150.3101.6-95.9-61.2000116.3
109I28.4Very low28.5Very low157 Ų157134.8 Ų134.881%0.80574%0.736SS**  trans74.3141.9157-65.2157.9000118.2
110P33.1Very low28Very low107 Ų107136 Ų13670%0.69575%0.748SS**  trans-122.5-164.1-166.444.5-28.7000115.6
111D22.9Very low27.5Very low156 Ų156140.2 Ų140.283%0.83476%0.759SS**  trans68.7110.6170.3-74.7-26000119.8
112A24.9Very low27.1Very low82 Ų82139.1 Ų139.168%0.67876%0.762SS**  170110.798.900000114.5
113T24.5Very low26.9Very low123 Ų123137.3 Ų137.376%0.75576%0.756SS**  trans53.6141147.870.70000122.6
114K24.9Very low26.8Very low183 Ų183138.3 Ų138.380%0.79676%0.758SS**  trans65.399.3158.6-62.1168.4-176.2171.90118.1
115N25.6Very low26.5Very low145 Ų145140.1 Ų140.178%0.77576%0.761SS**  -179.9149.893.9-90.7-23.2000114.8
116E25.6Very low26.3Very low167 Ų167143.8 Ų143.878%0.7876%0.764SS**  trans-0.1108.4162-56.9-178.9137.300119.6T118E116-T118 PolarHBondContact O-N 3.47Å
117V27.4Very low26.3Very low141 Ų141139.8 Ų139.886%0.85576%0.759SS**  trans-73.393.9158.6178.90000109L119V117-L119 PolarHBondContact O-N 2.85Å; V117-L119 VanDerWaalsContact O-N 3.13Å
118T28.4Very low26.4Very low120 Ų120144.2 Ų144.274%0.73677%0.768SS**  trans-76.697175.729.90000111.1E116E116-T118 PolarHBondContact O-N 3.47Å
119L28.3Very low26.4Very low148 Ų148142.6 Ų142.678%0.77577%0.768SS**  trans-55.9133.6167.2-79163.4000110.3V117 Q121V117-L119 PolarHBondContact O-N 2.85Å; V117-L119 VanDerWaalsContact O-N 3.13Å; L119-Q121 PolarHBondContact O-N 2.93Å
120P25Very low26.5Very low114 Ų114140 Ų14074%0.7477%0.77SS**  trans-72.496.6-179.129-34.2000110.5V122P120-V122 PolarHBondContact O-N 3.23Å
121Q25.8Very low26.4Very low173 Ų173140.7 Ų140.781%0.80878%0.778SS**  trans-59.1109.8174-74.9-169.6-9.900110.6L119 V123L119-Q121 PolarHBondContact O-N 2.93Å; Q121-V123 HydrophobicContact CB-CG2 4.14Å; Q121-V123 PolarHBondContact O-N 3.39Å
122V24.9Very low26.6Very low128 Ų128144.9 Ų144.978%0.77678%0.782SS**  trans-74.282.1168.3-177.50000108P120 V124P120-V122 PolarHBondContact O-N 3.23Å; V122-V124 HydrophobicContact CG1-CG2 4.24Å; V122-V124 PolarHBondContact O-N 3.11Å
123V26.1Very low27Very low98 Ų98150.4 Ų150.459%0.59479%0.793SS**  trans-68.393.5177.8-174.30000109.3Q121 K125Q121-V123 HydrophobicContact CB-CG2 4.14Å; Q121-V123 PolarHBondContact O-N 3.39Å; V123-K125 HydrophobicContact CG1-CG 4Å; V123-K125 PolarHBondContact O-N 3.14Å
124V25.7Very low27.1Very low117 Ų117153.4 Ų153.471%0.70980%0.799SS**  trans-71.180.7173-174.80000109.1V122 R126V122-V124 HydrophobicContact CG1-CG2 4.24Å; V122-V124 PolarHBondContact O-N 3.11Å; V124-R126 PolarHBondContact O-N 3.04Å
125K25.5Very low27.3Very low182 Ų182153.2 Ų153.279%0.79181%0.806SS**  trans-66.386.5166.2-72.9-165.7174.6-176.80109.3V123 A127V123-K125 HydrophobicContact CG1-CG 4Å; V123-K125 PolarHBondContact O-N 3.14Å; K125-A127 PolarHBondContact O-N 3.49Å
126R27.1Very low27.5Very low242 Ų242151.5 Ų151.591%0.91381%0.805SS**  trans-55.2121.3159.9-89.2-176.8169.7166.2-2.5107.6V124V124-R126 PolarHBondContact O-N 3.04Å
127A24.1Very low27.6Very low81 Ų81152 Ų15267%0.66981%0.807SS**  trans-133.393.1177.600000109.6K125K125-A127 PolarHBondContact O-N 3.49Å
128Y28.8Very low27.4Very low217 Ų217152.3 Ų152.385%0.85180%0.804SS**  trans-152.6126.7154.3-100.3-67.6000111.2
129S27.5Very low27.5Very low113 Ų113155.7 Ų155.779%0.7981%0.809SS**  trans42.295.7157.158.10000119.3
130A30.5Very low27.4Very low104 Ų104156 Ų15686%0.8681%0.811SS**  trans-116.3150.9138.700000108.6
131S31.8Very low27.8Very low121 Ų121155.8 Ų155.885%0.84681%0.81SS**  trans-73.6154.6-166.8-63.20000114.5Q133S131-Q133 PolarHBondContact O-N 3.04Å
132R26Very low28Very low244 Ų244156.5 Ų156.592%0.92181%0.813SS**  trans-54.4124.1164.9-76.1176.6168.4176.5-5.6111
133Q32.4Very low28.1Very low197 Ų197161.7 Ų161.792%0.92182%0.819SS**  trans-125.8151.9133.6-78.1-169.6-35.300108.4S131S131-Q133 PolarHBondContact O-N 3.04Å
134Q26.7Very low28.6Very low187 Ų187162.1 Ų162.187%0.87482%0.823SS**  trans-89.9137.1-172.1-63159.5-90.300110.4
135L29.3Very low28.8Very low179 Ų179164.8 Ų164.894%0.93783%0.832SS**  trans-157.3149.9147.3-106.4162000107.6
136S31.6Very low28.9Very low109 Ų109159 Ų15976%0.76282%0.824SS**  trans-101.5152.5-164.452.90000114.1
137E25.9Very low28.9Very low177 Ų177154.8 Ų154.883%0.82783%0.825SS**  trans-59.1160.4160-39.8164.6142.300109.2
138D24.9Very low28.9Very low147 Ų147155.3 Ų155.379%0.78682%0.824SS**  cis-163-170.31.2-149.3-23.6000110.3
139K30Very low28.8Very low192 Ų192155.8 Ų155.884%0.83583%0.826SS**  trans92.2101158.6-49.9-170.3-176.1177.30119.3
140N25.6Very low28.6Very low154 Ų154160.2 Ų160.282%0.82483%0.83SS**  trans-76.8167.1141.9-111.6-30.5000109.3
141P34.4Very low28.6Very low109 Ų109167 Ų16771%0.70883%0.834SS**  -156.7-172.460.537.7-12.4000119.3
142E29.1Very low28.4Very low188 Ų188164.7 Ų164.788%0.87983%0.829SS**  trans97.7172.3159.4-48.2-140.6149.200119.8
143R28Very low28.2Very low237 Ų237164.5 Ų164.589%0.89483%0.83SS**  trans-139-174.1-146-72.6-176.5174.2-175.40.3111.2
144P36.4Very low27.9Very low107 Ų107160.8 Ų160.870%0.69583%0.825SS**  -130.9-179.7-55.637.5-22.1000112.2
145I30Very low27.8Very low174 Ų174159.9 Ų159.989%0.89283%0.826SS**  trans163.6145.6134.1-87.6157.2000109.6
146G26.6Very low27.5Very low60 Ų60155.3 Ų155.362%0.61981%0.814SS**  trans117.793.1146.500000119.4
147V28.2Very low27.2Very low153 Ų153157.5 Ų157.593%0.92782%0.817SS**  trans70.4154.4146.8-168.80000117.6
148S23.4Very low27.3Very low93 Ų93153 Ų15365%0.6581%0.805SS**  trans-109.7156.4-164.855.20000113.8
149Y27.6Very low27.3Very low227 Ų227152.9 Ų152.989%0.8980%0.804SS**  -148.9132.6129.9-101.2-71.6000110.9
150K23.3Very low27.4Very low205 Ų205149.2 Ų149.289%0.89180%0.798SS**  trans-131.1142.3163.6-102-172.1176.4-177.80106.9
151R28.8Very low27.4Very low248 Ų248148 Ų14894%0.93679%0.792SS**  trans-145.7125.7160.5-132.5172.8-172.9160.92.9109.2
152G27.5Very low27.3Very low71 Ų71150.1 Ų150.173%0.73280%0.795SS**  trans-112.4179.9173.400000110.9
153Y23.5Very low27.4Very low241 Ų241145.5 Ų145.595%0.94578%0.784SS**  trans-88.2139.4173.9-69.6-95.2000111.6
154S25.6Very low27.4Very low119 Ų119140.3 Ų140.383%0.83278%0.779SS**  trans-161.6164.5151.255.50000109.5
155L24.1Very low27.1Very low167 Ų167140.9 Ų140.987%0.87478%0.78SS**  trans-106.9145.9-168.5-83.877.4000113.9
156A24Very low27.1Very low83 Ų83139 Ų13969%0.68677%0.772SS**  trans75.3153.3137.300000122.8
157N25.5Very low27.2Very low156 Ų156142.1 Ų142.183%0.83478%0.779SS**  trans76.2142.3159.1-64.7-0.7000119.7
158S26.2Very low27.1Very low82 Ų82139.7 Ų139.757%0.57377%0.768SS**  cis-168.2174.2-15.347.70000112.8
159D26.7Very low27.3Very low145 Ų145141.2 Ų141.278%0.77577%0.774SS**  trans76.3158.4155.5-48.6-48.4000119.4
160T30.2Very low27.2Very low114 Ų114135 Ų13570%0.69976%0.763SS**  cis-132.9153.58.5560000114
161N27Very low27.3Very low130 Ų130132.8 Ų132.870%0.69576%0.762SS**  177.3122.2113.9-89.9-8.2000114.3
162I32.1Very low27.3Very low153 Ų153127.8 Ų127.879%0.78576%0.758SS**  trans54122.6136-51.1169.6000117.1
163S30.3Very low27.1Very low90 Ų90130.1 Ų130.163%0.62976%0.762SS**  cis-156.2132.811.837.70000109.1
164T29.2Very low27.3Very low129 Ų129123.7 Ų123.779%0.79175%0.752SS**  44.5132.298.572.20000114.8
165V30.3Very low27.4Very low119 Ų119124.7 Ų124.772%0.72175%0.753SS**  cis-154.4136.839.8164.90000112.9
166N28.9Very low27.6Very low134 Ų134120.5 Ų120.572%0.71775%0.751SS**  trans41.3116.2146.7-61.56.8000121.9
167T29.2Very low27.6Very low125 Ų125123.9 Ų123.977%0.76776%0.757SS**  64.1140.384.566.90000116.9
168S26.1Very low27.7Very low102 Ų102123.7 Ų123.771%0.71376%0.756SS**  cis-176.7-178.2-10.149.60000111.3
169V26.4Very low27.8Very low126 Ų126125 Ų12576%0.76477%0.765SS**  trans97.8135.4159.7-1690000119.7
170S25.9Very low27.8Very low96 Ų96121.6 Ų121.667%0.67177%0.765SS**  trans62.5112.2159.659.20000123.1
171N24.9Very low27.9Very low159 Ų159123.8 Ų123.885%0.8577%0.77SS**  28129.2122.4-54-3.2000120.9
172V29.1Very low27.7Very low142 Ų142124.4 Ų124.486%0.86177%0.774SS**  -163.9154.6122.8132.70000110
173C23.3Very low27.5Very low121 Ų121127.9 Ų127.982%0.81878%0.779SS**  trans-96141.3177.9-58.40000112.6
174S29.4Very low27.1Very low105 Ų105132.6 Ų132.673%0.73479%0.788SS**  trans-155.9104.7155.1-76.10000107.7
175T26.7Very low27.6Very low140 Ų140130.9 Ų130.986%0.85978%0.779SS**  57.9108.887.963.40000114.4
176G28.6Very low27.5Very low80 Ų80132.1 Ų132.183%0.82578%0.776SS**  trans-15881.9172.200000110.2
177N24.3Very low27.4Very low154 Ų154135.4 Ų135.482%0.82478%0.78SS**  trans-106.1176.3173-109.68.3000109.8
178D27.5Very low27.3Very low151 Ų151133.6 Ų133.681%0.80777%0.772SS**  trans78.4145.4170.8-55.8-20000117.7
179S27.1Very low27.1Very low109 Ų109133.4 Ų133.476%0.76277%0.771SS**  cis-165.3155.2-26.9570000111.2
180G26.9Very low27.1Very low74 Ų74136.4 Ų136.476%0.76377%0.774SS**  trans75.5169.7164.700000117.1
181I32.1Very low27.2Very low160 Ų160140.1 Ų140.182%0.82178%0.781SS**  cis-138155.1-4.3-64.1-176.8000109.3
182N23.6Very low27.2Very low143 Ų143136.3 Ų136.377%0.76577%0.766SS**  trans-54.1155.4174.8-66.8-68.8000115.1
183Y28.3Very low27.3Very low227 Ų227136.3 Ų136.389%0.8976%0.76SS**  -170.3162.6104.5-107.6-80.3000113.3
184K22.4Very low27.5Very low188 Ų188139.2 Ų139.282%0.81776%0.759SS**  trans-133.8178.2-177-98.7-175.8-179.7176.10107.9
185P38.7Very low27.5Very low93 Ų93138.4 Ų138.460%0.60476%0.758SS**  cis-135.3-137.2-37.240.3-22.2000111.2
186H27.3Very low27.5Very low145 Ų145137.9 Ų137.967%0.67175%0.75SS**  trans84.9154.2167.6-61.5-64.4000118.6
187Y28.7Very low27.6Very low204 Ų204142.2 Ų142.280%0.875%0.746SS**  cis-141.5-166-8.1-130.4-60.9000110.6
188S25.3Very low27.8Very low86 Ų86142.8 Ų142.860%0.60174%0.741SS**  trans-126.7140.3-160.960.30000116.5
189S23.8Very low28Very low99 Ų99143.5 Ų143.569%0.69274%0.74SS**  trans66.8126.2138.4720000123.8
190K24.8Very low28.1Very low188 Ų188149.5 Ų149.582%0.81775%0.746SS**  trans86.9155.5137-74.9172.9178.8176.30121.8
191H29.3Very low28.2Very low175 Ų175152.6 Ų152.681%0.8174%0.744SS**  trans80.3148.7172.8-67.5-78.3000118.7
192S24.9Very low28.1Very low78 Ų78151 Ų15155%0.54574%0.738SS.*  -178.4173.8-50.847.50000110.6
193I29.5Very low28.4Very low143 Ų143152.7 Ų152.773%0.73374%0.738SS**  trans76.5136.6159.9-72.6163.9000115
194K28.8Very low28.2Very low182 Ų182147.7 Ų147.779%0.79173%0.731SS**  cis-160.3143.64-125.7171.2-154.1165.10112.9
195A29.1Very low28.4Very low88 Ų88144.1 Ų144.173%0.72773%0.725SS**  trans60.9160144.100000120.8
196N27.7Very low27.9Very low128 Ų128149.2 Ų149.268%0.68474%0.737SS**  cis-161.6147.97.9-144.9-15.4000114.6
197K29.9Very low27.8Very low172 Ų172150 Ų15075%0.74875%0.746SS**  trans65.6150.6162.4-67.1165.1-173.4172.50117.7
198K28.4Very low28.1Very low165 Ų165145.8 Ų145.872%0.71774%0.744SS**  cis-158.8147.62.8-132.2-178.1-178.4-177.80112.4
199Q31.4Very low28Very low167 Ų167145.7 Ų145.778%0.7875%0.748SS**  trans66.5151.4162-64.9169-1400117.4
200R28.5Very low28Very low234 Ų234151.6 Ų151.688%0.88376%0.757SS**  cis-134.5-1778.1-145.3170.2-178.4172.5-0.9111.8
201L29.3Very low28Very low139 Ų139147.4 Ų147.473%0.72875%0.751SS**  trans-83166.7-165.3-70.873.1000113.2
202N30.3Very low27.7Very low128 Ų128146.2 Ų146.268%0.68475%0.75SS**  cis-155.9143.737.2-112.2-39.3000116
203K30.3Very low27.6Very low178 Ų178147 Ų14777%0.77476%0.756SS**  trans29.2138137.1-70.8179.9178.2-179.90122.5
204V24.5Very low27.4Very low122 Ų122147.6 Ų147.674%0.73976%0.761SS**  cis76.9124.227.5-171.60000112.5
205T26.6Very low27.3Very low113 Ų113145.9 Ų145.969%0.69376%0.759SS**  cis-160.9153.228.20.30000113.9
206K27Very low27.1Very low199 Ų199148.2 Ų148.287%0.86575%0.754SS**  trans62.4141.4138.5-74.7178.5-177-177.70125.1
207L26.5Very low26.9Very low163 Ų163147.2 Ų147.285%0.85375%0.746SS**  trans-87.9-171.2157.9-59.5163.3000109.8
208P35.3Very low26.6Very low115 Ų115142.7 Ų142.775%0.74773%0.733SS**  cis-145.6-174.55.245.5-25.4000118.4
209A22.6Very low26.5Very low84 Ų84141 Ų14169%0.69473%0.73SS**  trans70117.5141.400000125.1
210Y23.6Very low26.3Very low223 Ų223138.2 Ų138.288%0.87573%0.729SS**  trans58.7115.2136-80-79.8000125.9
211S24Very low26.3Very low99 Ų99132.3 Ų132.369%0.69272%0.719SS**  100.1128.2124.173.50000123.6
212N22.8Very low26Very low150 Ų150132.9 Ų132.980%0.80272%0.722SS**  trans73.9121.4145.7-67.17.8000124.5
213S24.5Very low26.1Very low96 Ų96132.1 Ų132.167%0.67173%0.727SS**  trans61.697.4137.564.20000121.7
214D24.7Very low26Very low155 Ų155129.6 Ų129.683%0.82973%0.726SS**  77.2150.9111.5-71.4-32.5000124.6
215I26Very low26.1Very low146 Ų146129.4 Ų129.475%0.74972%0.721SS**  trans85.689.6157.1-68.9153.6000119.2
216H24.5Very low25.9Very low136 Ų136131.9 Ų131.963%0.6373%0.725SS**  72.6130.3126-82.2-120.4000123.3
217Q25Very low25.7Very low108 Ų108127.1 Ų127.151%0.50572%0.717SS.*  trans78.2147.7132.6-69.6179.4-13.200119.5N341Q217-N341 PolarHBondContact OE1-ND2 3.16Å
218T23.8Very low25.6Very low77 Ų77127.3 Ų127.347%0.47271%0.713SS.*  cis-167159.5-0.916.50000113.5
219I25.7Very low25.1Very low130 Ų130128.4 Ų128.467%0.66771%0.712SS**  trans65.6122.8143.4-69.4161.1000117.2V221I219-V221 HydrophobicContact CG2-CG1 4.36Å
220S26.1Very low25.2Very low107 Ų107130 Ų13075%0.74872%0.717SS**  -172.5174.286.359.30000112
221V28.1Very low25.2Very low111 Ų111125.1 Ų125.167%0.67371%0.71SS**  cis-166.4165.5-36.4-84.90000107I219I219-V221 HydrophobicContact CG2-CG1 4.36Å
222N24.9Very low25.8Very low150 Ų150125.5 Ų125.580%0.80271%0.71SS**  cis-167.1124.3-32.7-963.5000108.5
223S31.5Very low26.1Very low113 Ų113127 Ų12779%0.7971%0.71SS**  trans-161.3118.8162.9520000109.3
224V28Very low26.4Very low125 Ų125127.2 Ų127.276%0.75870%0.703SS**  72.9120.660.3174.20000110.5
225N26.1Very low26.7Very low117 Ų117127.8 Ų127.863%0.62670%0.698SS**  cis-152.2161.41.3-118.728.2000110.4
226E23.1Very low27.2Very low165 Ų165125.6 Ų125.677%0.77169%0.694SS**  44.5136.797.2-56.2-178.2151.100115.3
227S23.3Very low27.4Very low100 Ų100126 Ų12670%0.69970%0.699SS**  cis-170-175.12.546.90000112.6
228E24.4Very low27.6Very low166 Ų166129.1 Ų129.178%0.77671%0.714SS**  trans85.1137.3148.9-74.2-169.7158.100125.6
229L24Very low27.9Very low139 Ų139130.5 Ų130.573%0.72873%0.726SS**  trans73128.5139.1-9665.8000126.7
230C25.1Very low28Very low118 Ų118132 Ų13280%0.79774%0.735SS**  trans100.7141131.2-82.20000123.3
231V24.2Very low28.2Very low120 Ų120131.5 Ų131.573%0.72773%0.732SS**  trans-114.8156.5-175.1-149.60000109.8
232P35.9Very low28.3Very low107 Ų107133 Ų13370%0.69574%0.741SS**  -143.8168.711429.9-11.8000113
233F30.1Very low28.5Very low181 Ų181134.3 Ų134.379%0.79474%0.742SS**  cis-172.1155.9-19.3-94-23.7000107.4
234D29.3Very low28.4Very low100 Ų100132 Ų13254%0.53573%0.73SS.*  cis-169.2139.8-21.3-164.426000110.4
235K31Very low28.3Very low167 Ų167132.6 Ų132.673%0.72673%0.733SS**  trans65.1167.1146.4-89.8175.7-151.7128.10123.3
236P36.1Very low28.2Very low101 Ų101132.8 Ų132.866%0.65674%0.739SS**  cis-141.7176.9-18.735.2-15.1000117.3
237I29.6Very low28.4Very low145 Ų145130.5 Ų130.574%0.74474%0.736SS**  trans74.1130159.1-43.7-161.5000116.6
238E29.5Very low28.6Very low172 Ų172133.7 Ų133.780%0.80474%0.739SS**  cis-145155.33.2-140.3149.4-138.700115
239S30.5Very low28.6Very low106 Ų106131.9 Ų131.974%0.74174%0.735SS**  trans26.6114.7160.161.10000124.3
240L27.7Very low28.8Very low161 Ų161131 Ų13184%0.84374%0.736SS**  trans-77.3160.2145-65.6142.5000109.3
241S30Very low28.9Very low97 Ų97136.1 Ų136.168%0.67874%0.738SS**  cis82.1117.125.595.90000117.4
242V30.6Very low29Very low144 Ų144137.5 Ų137.587%0.87374%0.741SS**  trans-161.3152.2177.5175.50000107.4
243E29.1Very low28.6Very low176 Ų176136.2 Ų136.282%0.82274%0.74SS**  cis-172.1165.7-38.2-90.5-127.5102.800106.9
244A28.2Very low28.4Very low65 Ų65138.3 Ų138.354%0.53774%0.743SS.*  cis-169.3157-35.100000110
245V25.7Very low28.4Very low137 Ų137139.9 Ų139.983%0.8375%0.751SS**  trans41.5132.3130.4172.20000120.1
246V25.6Very low28.1Very low122 Ų122140.6 Ų140.674%0.73975%0.754SS**  cis-174.6166.4-880.60000113.3
247V27Very low27.8Very low116 Ų116143.4 Ų143.470%0.70376%0.762SS**  trans68.5106.4154.8174.10000122.7
248H26Very low27.8Very low167 Ų167140.7 Ų140.777%0.77376%0.761SS**  trans68.5146.4133.4-84.1-93000127.8
249N25.9Very low27.7Very low129 Ų129137.2 Ų137.269%0.6976%0.756SS**  trans8370.3148.9-66.7-2.6000122.1
250T28.7Very low27.7Very low121 Ų121141.8 Ų141.874%0.74276%0.762SS**  33.1113.3124.860.10000121.2
251R26.8Very low27.6Very low224 Ų224140 Ų14085%0.84576%0.757SS**  170.6144.7103.4-95.1177.1175.8144.40.8113.3
252N25.8Very low27.7Very low149 Ų149141.5 Ų141.580%0.79777%0.767SS**  trans43.8142.4142.5-58.60000121.7
253A26.4Very low27.4Very low80 Ų80143.6 Ų143.666%0.66176%0.764SS**  cis-174.3161-13.100000111.5
254R27Very low27.5Very low226 Ų226140.8 Ų140.885%0.85376%0.755SS**  trans71.8143.7152.2-79.7174.9174.8148-0.7120.9
255N28.6Very low27.5Very low132 Ų132144.9 Ų144.971%0.70676%0.76SS**  trans73.3137.9151.7-67.1-13.8000117.8
256K25.9Very low27.7Very low183 Ų183144.9 Ų144.980%0.79676%0.755SS**  cis-170.3-174-14.7-130.4-178.4-178.3-173.50108.5
257I30Very low27.8Very low160 Ų160147.7 Ų147.782%0.82176%0.76SS**  trans89.2113.3163.1-59.4165.2000117.8
258A27.8Very low27.7Very low88 Ų88147 Ų14773%0.72776%0.76SS**  trans56.7154.4141.800000121.8
259S27.6Very low27.9Very low99 Ų99149.1 Ų149.169%0.69277%0.767SS**  cis-171.7140.2-18.749.10000111.6
260K30.5Very low27.9Very low201 Ų201151.9 Ų151.987%0.87478%0.776SS**  trans174.7123.3151.1-97.4158-176.7-178.40105.3
261V27Very low27.9Very low123 Ų123152.8 Ų152.875%0.74578%0.781SS**  cis7294.132.7-168.50000113.6
262C31.5Very low27.8Very low130 Ų130151.1 Ų151.188%0.87879%0.785SS**  trans-139.9155.8136-92.80000108.2
263K25.5Very low27.9Very low187 Ų187148.9 Ų148.981%0.81378%0.781SS**  trans-100-175.1170.4-54.9177.3-178.8174.10107.9
264D30.4Very low27.9Very low117 Ų117151 Ų15163%0.62679%0.791SS**  cis-158.117610.3-138.916.9000103.9
265K27.6Very low27.9Very low151 Ų151148.6 Ų148.666%0.65779%0.787SS**  cis-172.4174.75.5-146175.1-158.4156.50107.6
266I30Very low28Very low138 Ų138149.8 Ų149.871%0.70879%0.792SS**  trans67.7139.1155.2-65.6158.2000114.6
267E27.8Very low28.1Very low181 Ų181148 Ų14885%0.84679%0.791SS**  cis-142.8-165.7-6-138.5159.3-133.100111.6
268S24.8Very low27.9Very low102 Ų102146.2 Ų146.271%0.71379%0.787SS**  trans-112.9153.3-165.462.50000115.6
269K30.6Very low28Very low210 Ų210147.6 Ų147.691%0.91379%0.789SS**  trans-163155.2132.5-109.1160.4-172.3172.40111.7
270Q26.5Very low27.7Very low187 Ų187147.2 Ų147.287%0.87479%0.792SS**  trans-99.2137.4-167.8-61.5156.3-47.700112
271T28.2Very low27.7Very low141 Ų141143.5 Ų143.587%0.86579%0.788SS**  trans-141152148.539.30000110
272M25.1Very low27.7Very low189 Ų189147.8 Ų147.893%0.93180%0.797SS**  trans-57.1132.5-164.1-64.7-64.9174.900114.9
273S27.7Very low27.4Very low101 Ų101146 Ų14671%0.70679%0.791SS**  trans-152.994.7157.248.80000112.9K275S273-K275 PolarHBondContact O-N 2.95Å
274S25.7Very low27.4Very low125 Ų125142.8 Ų142.887%0.87479%0.792SS**  trans-81.684.3165.741.30000110.1
275K28.6Very low27.5Very low176 Ų176143.1 Ų143.177%0.76580%0.801SS**  trans-91.6114.9171.5-78.4-172.6174-178.30111.2S273S273-K275 PolarHBondContact O-N 2.95Å
276I30Very low27.6Very low156 Ų156143.1 Ų143.180%0.880%0.803SS**  trans-86.6114.8159.6-62.8172.8000106.2V278I276-V278 HydrophobicContact CG2-CG2 4.3Å; I276-V278 PolarHBondContact O-N 2.9Å
277D26.8Very low27.8Very low146 Ų146141.7 Ų141.778%0.78180%0.803SS**  trans-74.3108.9178.9-77.8-41.1000111
278V25.7Very low28Very low123 Ų123137 Ų13775%0.74579%0.79SS**  trans-109.2110.8169.3-178.30000108.5I276 A280I276-V278 HydrophobicContact CG2-CG2 4.3Å; I276-V278 PolarHBondContact O-N 2.9Å; V278-A280 PolarHBondContact O-N 3.23Å
279P30.2Very low28.5Very low117 Ų117140.7 Ų140.776%0.7679%0.788SS**PPolyproline II helixtrans-76.4122.9179.329.5-32.8000111.1
280A22Very low28.8Very low91 Ų91132.9 Ų132.975%0.75276%0.756SS**PPolyproline II helixtrans-70.1133.2176.900000111.9V278V278-A280 PolarHBondContact O-N 3.23Å
281P30.1Very low29.1Very low123 Ų123127.8 Ų127.880%0.79974%0.738SS**PPolyproline II helixtrans-77.3140.2175.130.9-33.6000112
282F27.9Very low29Very low213 Ų213126.3 Ų126.393%0.93473%0.725SS**PPolyproline II helixtrans-70147.8169.5-95.6-112.1000111.2
283A23.8Very low29.1Very low91 Ų91126.2 Ų126.275%0.75272%0.722SS**PPolyproline II helixtrans-96.4163.5-175.700000114.5
284S26.5Very low29Very low120 Ų120126.8 Ų126.884%0.83973%0.726SS**  trans77148.3177.7-59.30000117
285P32.3Very low29Very low124 Ų124127.1 Ų127.181%0.80572%0.723SS**  cis-105.7-177.46.540.3-33.2000115.6
286E29.6Very low28.8Very low152 Ų152126.8 Ų126.871%0.7173%0.729SS**  trans-50.7142.6-173.7-57.2179.8146.800116.7
287P34.7Very low28.6Very low107 Ų107124.4 Ų124.470%0.69573%0.726SS**  trans-127.367152.938.8-26.3000112.8R289P287-R289 PolarHBondContact O-N 2.89Å
288S32.2Very low28.6Very low82 Ų82123.6 Ų123.657%0.57373%0.729SS**  trans-80.954.4171.7-58.20000112.8
289R33.9Very low28.6Very low181 Ų181123.2 Ų123.268%0.68373%0.732SS**  trans-113.5102.6171.8-77.4-173172.5-169.4-4110P287 T291 Y716P287-R289 PolarHBondContact O-N 2.89Å; R289-T291 VanDerWaalsContact C-N 3.34Å; R289-T291 HydrophobicContact CB-CG2 4.08Å; R289-T291 PolarHBondContact O-N 3.13Å; R289-Y716 PolarHBondContact O-OH 3.02Å; R289-Y716 VanDerWaalsContact O-OH 3.08Å
290L38.3Very low28.4Very low46 Ų46124.9 Ų124.924%0.24173%0.734CS.*  trans-63.598.6155.7-80.1152.8000107P717L290-P717 HydrophobicContact CD2-CB 4.31Å; L290-P717 WeakPolarHBondContact CD2-O 3.34Å
291T32.3Very low28.7Very low80 Ų80126.1 Ų126.149%0.49174%0.735SS.*  trans-90.5130.3177.451.60000110.5R289 Q293R289-T291 VanDerWaalsContact C-N 3.34Å; R289-T291 HydrophobicContact CB-CG2 4.08Å; R289-T291 PolarHBondContact O-N 3.13Å; T291-Q293 PolarHBondContact O-N 2.85Å
292D26.4Very low28.6Very low110 Ų110127.9 Ų127.959%0.58874%0.735SS**  trans-61.8127-177.5-45.7-85000111.8
293Q26.1Very low28.5Very low186 Ų186121.7 Ų121.787%0.86972%0.719SS**  trans-138.653173.8-73.3-157.3-5.500113.1T291T291-Q293 PolarHBondContact O-N 2.85Å
294S25.8Very low28.6Very low113 Ų113127.2 Ų127.279%0.7973%0.726SS**  trans-160.8117.8154.842.10000107.5
295T25.3Very low28.6Very low133 Ų133129.2 Ų129.282%0.81672%0.72SS**SBendcis-128.7145.317.351.60000112.9
296L24.9Very low28.2Very low169 Ų169130.8 Ų130.889%0.88573%0.727SS**  trans167.173.3146.1-94164.1000109.9
297S25.5Very low27.9Very low106 Ų106127.3 Ų127.374%0.74172%0.72SS**  trans-75.8134.3163.451.10000109.7
298P26.5Very low27.5Very low129 Ų129127.9 Ų127.984%0.83872%0.721SS**  trans-70.7132.8179.329.3-33.8000111.1
299S27Very low27.3Very low115 Ų115132 Ų13280%0.80473%0.729SS**  trans-117114.8167580000109.2
300D25.3Very low26.8Very low152 Ų152130.1 Ų130.181%0.81373%0.731SS**  trans-64.5157.2-175.8-90-53.5000114.1
301P29.1Very low26.3Very low117 Ų117133.4 Ų133.476%0.7675%0.754SS**  trans-84125.4-159.431.3-35.6000113.7
302I27Very low26.3Very low159 Ų159135.2 Ų135.282%0.81577%0.767SS**  trans-123115.5159.7-61.1-176.3000109.3
303S25.1Very low26.3Very low83 Ų83136.7 Ų136.758%0.5878%0.779SS**PPolyproline II helixtrans-73.4132.2175171.10000111.2
304F26.8Very low26.2Very low208 Ų208134.2 Ų134.291%0.91277%0.772SS**PPolyproline II helixtrans-95.8137.3137.6-94.5-83.6000109.5
305K26.2Very low26.2Very low162 Ų162136.3 Ų136.370%0.70477%0.774SS**PPolyproline II helixtrans-93.4133.3-164.2-62.7172.5-177.2172.50111.5
306T23.9Very low26.5Very low157 Ų157135 Ų13596%0.96377%0.767SS**  trans-120.386.5130.9-59.50000106.9
307S22.6Very low26.5Very low79 Ų79133.5 Ų133.555%0.55276%0.759SS**  trans-148.4110-177.463.80000110.2
308V28.1Very low26.6Very low119 Ų119135 Ų13572%0.72176%0.763SS**  trans-172.9131.7176.81330000104.7
309F26.5Very low26.6Very low168 Ų168135.1 Ų135.174%0.73776%0.757SS**  cis-138.5147.9-8.8-96.1-46.4000107.2
310L24.5Very low26.6Very low141 Ų141137.3 Ų137.374%0.73876%0.755SS**  47138.492-59.4-174.6000114.5
311T26.5Very low26.8Very low116 Ų116135.4 Ų135.471%0.71275%0.745SS**  cis-162.1159.313.2-0.60000110.2
312P32.8Very low26.8Very low117 Ų117138.7 Ų138.776%0.7675%0.747SS**  trans-88.9158.9162.836.4-33.2000112.9
313V27.3Very low26.8Very low141 Ų141135.7 Ų135.786%0.85575%0.746SS**  trans-148.8152.3172.7-176.80000110.1
314D24.2Very low26.9Very low135 Ų135136 Ų13672%0.72275%0.753SS**  trans-111.7146.4-163-59.9-85.1000117
315L24.4Very low27Very low157 Ų157130.5 Ų130.582%0.82275%0.747SS**  trans59.9-177.4142.3-66.3169.2000118.4
316P32.6Very low27.1Very low104 Ų104126.6 Ų126.668%0.67574%0.739SS**  cis-133.6166.6-8.821.34.1000118.1
317I24.1Very low27.4Very low139 Ų139128.8 Ų128.871%0.71374%0.736SS**  trans46.4123.9135.4-56.7164.1000122.8
318T28.4Very low27.6Very low136 Ų136128.1 Ų128.183%0.83474%0.741SS**  -166.7149.5118.444.10000107.7
319D25.9Very low27.5Very low132 Ų132127.4 Ų127.471%0.70674%0.741SS**  cis176.5145.4-27.4-122.2-42.5000105.7
320E27.7Very low27.3Very low161 Ų161126.5 Ų126.575%0.75274%0.744SS**  trans153.895.6150.1-85.3-85.8140.600114
321N28.8Very low27.6Very low113 Ų113127.8 Ų127.860%0.60475%0.75SS**  72.3128.1128.8-77.3-45.3000125.7
322K29.7Very low27.5Very low186 Ų186126.7 Ų126.781%0.80975%0.747SS**  trans76.7124.8153.3-65.7163.9-175.1165.20117.8
323A25.9Very low27.3Very low96 Ų96130 Ų13079%0.79375%0.749SS**  cis82.8137.945.400000113.2
324A28.6Very low27.2Very low88 Ų88132 Ų13273%0.72775%0.747SS**  cis-167.1176.5-600000111.1
325A28.8Very low27.2Very low94 Ų94132.1 Ų132.178%0.77775%0.747SS**  trans63.2159.2143.700000120.8
326S28.4Very low27.2Very low79 Ų79129.1 Ų129.155%0.55274%0.739SS**  cis-173.8162.9-28.364.10000110.7
327K29.6Very low26.9Very low204 Ų204133.7 Ų133.789%0.88775%0.749SS**  trans70152.7159.9-57.9154.4-168.3170.60116.7
328G26.8Very low27Very low65 Ų65135.7 Ų135.767%0.6775%0.752SS**  cis178.3149.9-10.100000116.7
329S25.4Very low26.8Very low103 Ų103135.1 Ų135.172%0.7274%0.743SS**  trans54.8114.3142.159.90000122.5
330N23.1Very low26.9Very low150 Ų150134.8 Ų134.880%0.80274%0.737SS**  45.4131120.2-52.8-20.4000120.8
331I31.2Very low26.7Very low168 Ų168131.4 Ų131.486%0.86272%0.724SS**  -165.7145.2103.9-99.1157.3000112.6
332S24.8Very low26.8Very low93 Ų93131.7 Ų131.765%0.6574%0.735SS**  trans-79.4148.6-179.21730000113.7
333K28.5Very low26.6Very low185 Ų185127.3 Ų127.380%0.80472%0.724SS**  -179.2122.7122.7-95.6151.3-170173.40115.7
334K23.6Very low26.7Very low184 Ų184132.1 Ų132.180%0.873%0.727SS**  trans53.4143130.1-71.9-169.4175.7-175.10123.4
335N24.1Very low26.8Very low137 Ų137138 Ų13873%0.73374%0.736SS**  trans94.9102.2142.3-72.22.3000121.9
336S24.7Very low26.7Very low94 Ų94138.2 Ų138.266%0.65774%0.738SS**  78.8107.8113.3-60.50000122.7
337K26.4Very low26.8Very low201 Ų201140.8 Ų140.887%0.87475%0.75SS**  trans75.9144.9131.6-65.4-177.9176.61790120.5
338K27Very low26.8Very low181 Ų181136.5 Ų136.579%0.78774%0.743SS**  trans8998.8154.6-78.1-162.5170-174.30121
339I24.1Very low27.1Very low124 Ų124140.2 Ų140.264%0.63675%0.752SS**  86127.6110.1-76.4174.7000120.9
340Q28.1Very low27.6Very low124 Ų124143.5 Ų143.558%0.57976%0.756SS**  trans74.6112.4153.1-80.61584.500123.1
341N23.5Very low28Very low91 Ų91144.1 Ų144.149%0.48776%0.759SS.*  45.4116.8124.7-57.22.6000121.2Q217Q217-N341 PolarHBondContact OE1-ND2 3.16Å
342S31.1Very low28.2Very low118 Ų118147.8 Ų147.883%0.82576%0.762SS**  trans-158.680.3142.721.50000113.7
343V26.1Very low28.4Very low95 Ų95152.5 Ų152.558%0.57677%0.771SS**  40.3121.2125.3-1790000119.7
344K26.8Very low28.6Very low196 Ų196147.4 Ų147.485%0.85276%0.757SS**  trans69.9114.5156.5-68163.9-166.1168.90120.1
345K31.2Very low29.5Very low213 Ų213142 Ų14293%0.92674%0.742SS**  -156.5120.6102.6-109.9172.9-177.1175.50111.4
346A27Very low30.4Very low98 Ų98138.2 Ų138.281%0.8174%0.736SS**PPolyproline II helixtrans-100.1148.4167.200000109.6
347V31Very low31.3Very low133 Ų133140.4 Ų140.481%0.80673%0.734SS**PPolyproline II helixtrans-87.5131.5174.6179.50000108.7V349V347-V349 PolarHBondContact O-N 3.26Å
348P29.2Very low32Very low114 Ų114135.1 Ų135.174%0.7472%0.715SS**PPolyproline II helixtrans-72.9117.2178.429.1-33.4000110.7Q350P348-Q350 PolarHBondContact O-N 2.78Å
349V32.2Very low32.6Very low142 Ų142131.4 Ų131.486%0.86170%0.704SS**PPolyproline II helixtrans-70.7125.7163.6178.90000107.5V347V347-V349 PolarHBondContact O-N 3.26Å
350Q36.4Very low33.8Very low173 Ų173129.8 Ų129.881%0.80870%0.696SS**PPolyproline II helixtrans-73.4134.4-179.7-66.5175.8-13.900110.8P348 R352P348-Q350 PolarHBondContact O-N 2.78Å; Q350-R352 PolarHBondContact O-N 3.33Å
351D30.7Very low34.8Very low163 Ų163127.1 Ų127.187%0.87269%0.685SS**  trans-59.697.2174.1-73.8-60.1000111.5K353D351-K353 PolarHBondContact O-N 3.37Å; D351-K353 VanDerWaalsContact O-N 3.07Å
352R36.2Very low36Very low244 Ų244128.5 Ų128.592%0.92169%0.688SS**  trans-68105.3164.1-70.3-172.2176.9-164-0.8107.6Q350Q350-R352 PolarHBondContact O-N 3.33Å
353K29.7Very low37Very low192 Ų192129.2 Ų129.284%0.83568%0.676SS**PPolyproline II helixtrans-46.5132.2171-66.2177.9-179.2175.50109D351 S355D351-K353 PolarHBondContact O-N 3.37Å; D351-K353 VanDerWaalsContact O-N 3.07Å; K353-S355 PolarHBondContact O-N 3.02Å
354P31.8Very low38.9Very low79 Ų79127.3 Ų127.351%0.51366%0.663SS.*PPolyproline II helixtrans-57.8134.118023.3-32.8000109.8L358P354-L358 HydrophobicContact CB-CB 3.92Å; P354-L358 HydrophobicContact CB-CD1 3.78Å
355S42Very low40.6Very low69 Ų69123.4 Ų123.448%0.48364%0.643SS.*PPolyproline II helixtrans-59.8157.8179.653.50000111.3K353 F357 L358 N359K353-S355 PolarHBondContact O-N 3.02Å; S355-F357 PolarHBondContact O-N 3.43Å; S355-F357 VanDerWaalsContact O-N 3.07Å; S355-L358 PolarHBondContact O-N 3.23Å; S355-N359 PolarHBondContact O-N 3.1Å
356G43.4Very low42.4Very low59 Ų59114.1 Ų114.161%0.60860%0.604SS**Hα-helixtrans-52.4-35.4-17900000113.1L358 N359 L360G356-L358 PolarHBondContact O-N 2.96Å; G356-N359 WeakPolarHBondContact O-CB 3.46Å; G356-N359 PolarHBondContact O-N 3.47Å; G356-L360 PolarHBondContact O-N 3.5Å
357F43.9Very low44.8Very low139 Ų139111.8 Ų111.861%0.6158%0.578SS**Hα-helixtrans-56.6-42.5172.9-173.5-112.3000113.8S355 N359 L360 L361S355-F357 PolarHBondContact O-N 3.43Å; S355-F357 VanDerWaalsContact O-N 3.07Å; F357-N359 PolarHBondContact O-N 2.82Å; F357-L360 WeakPolarHBondContact O-CB 3.32Å; F357-L360 PolarHBondContact O-N 3.15Å; F357-L361 HydrophobicContact CD1-CD1 3.88Å; F357-L361 HydrophobicContact CE1-CD1 3.51Å; F357-L361 HydrophobicContact CE1-CG 4.3Å; F357-L361 HydrophobicContact CZ-CD1 3.93Å; F357-L361 HydrophobicContact CZ-CG 4.34Å; F357-L361 WeakPolarHBondContact O-CG 3.33Å; F357-L361 PolarHBondContact O-N 2.87Å
358L40.1Very low46.8Very low90 Ų90111.2 Ų111.247%0.47158%0.58SS.*Hα-helixtrans-68.9-33.5176.4-70176.5000112.2P354 S355 G356 L361 H362P354-L358 HydrophobicContact CB-CB 3.92Å; P354-L358 HydrophobicContact CB-CD1 3.78Å; S355-L358 PolarHBondContact O-N 3.23Å; G356-L358 PolarHBondContact O-N 2.96Å; L358-L361 HydrophobicContact CD2-CD1 4.5Å; L358-H362 VanDerWaalsContact O-CB 3.3Å; L358-H362 WeakPolarHBondContact O-CB 3.36Å; L358-H362 PolarHBondContact O-N 3.22Å
359N41.1Very low48.7Very low104 Ų104111.4 Ų111.456%0.55657%0.569SS**Hα-helixtrans-69.7-33.9171.1-94.2-23.8000112.2S355 G356 F357 K363S355-N359 PolarHBondContact O-N 3.1Å; G356-N359 WeakPolarHBondContact O-CB 3.46Å; G356-N359 PolarHBondContact O-N 3.47Å; F357-N359 PolarHBondContact O-N 2.82Å; N359-K363 WeakPolarHBondContact O-CG 3.44Å; N359-K363 PolarHBondContact O-N 3.41Å
360L48.7Very low50.6Low90 Ų90104.6 Ų104.647%0.47153%0.528SS..Hα-helixtrans-66.8-49.5173.4-171.365.9000110.7G356 F357 H362 K363 L364G356-L360 PolarHBondContact O-N 3.5Å; F357-L360 WeakPolarHBondContact O-CB 3.32Å; F357-L360 PolarHBondContact O-N 3.15Å; L360-H362 VanDerWaalsContact C-N 3.3Å; L360-H362 PolarHBondContact O-N 3.3Å; L360-K363 WeakPolarHBondContact O-CB 3.39Å; L360-K363 PolarHBondContact O-N 3.09Å; L360-K363 VanDerWaalsContact O-N 3.08Å; L360-L364 HydrophobicContact CG-CD1 4.1Å; L360-L364 VanDerWaalsContact O-CG 3.32Å; L360-L364 WeakPolarHBondContact O-CG 3.37Å; L360-L364 PolarHBondContact O-N 2.87Å
361L48.1Very low52.8Low68 Ų6897.2 Ų97.236%0.35649%0.493SS..Hα-helixtrans-59.2-38.7174.1-70.9176.2000112.4F357 L358 K363 L364 R365F357-L361 HydrophobicContact CD1-CD1 3.88Å; F357-L361 HydrophobicContact CE1-CD1 3.51Å; F357-L361 HydrophobicContact CE1-CG 4.3Å; F357-L361 HydrophobicContact CZ-CD1 3.93Å; F357-L361 HydrophobicContact CZ-CG 4.34Å; F357-L361 WeakPolarHBondContact O-CG 3.33Å; F357-L361 PolarHBondContact O-N 2.87Å; L358-L361 HydrophobicContact CD2-CD1 4.5Å; L361-K363 VanDerWaalsContact C-N 3.34Å; L361-L364 PolarHBondContact O-N 3.37Å; L361-R365 PolarHBondContact O-N 3.48Å
362H50.1Low55.3Low119 Ų11989.6 Ų89.655%0.55145%0.453SS*.Hα-helixtrans-75.4-19.7177.2-153.8-67.7000113.6L358 L360 R365L358-H362 VanDerWaalsContact O-CB 3.3Å; L358-H362 WeakPolarHBondContact O-CB 3.36Å; L358-H362 PolarHBondContact O-N 3.22Å; L360-H362 VanDerWaalsContact C-N 3.3Å; L360-H362 PolarHBondContact O-N 3.3Å; H362-R365 PolarHBondContact NE2-NH1 3.23Å; H362-R365 VanDerWaalsContact NE2-NH1 3.12Å
363K52.2Low57.6Low133 Ų13380.2 Ų80.258%0.57842%0.42SS*.Hα-helixtrans-71.6-52.7164.2-83.1-179.3172.9-1710110.8N359 L360 L361 R365 Q373N359-K363 WeakPolarHBondContact O-CG 3.44Å; N359-K363 PolarHBondContact O-N 3.41Å; L360-K363 WeakPolarHBondContact O-CB 3.39Å; L360-K363 PolarHBondContact O-N 3.09Å; L360-K363 VanDerWaalsContact O-N 3.08Å; L361-K363 VanDerWaalsContact C-N 3.34Å; K363-R365 PolarHBondContact O-N 2.98Å; K363-Q373 VanDerWaalsContact O-CG 3.22Å; K363-Q373 WeakPolarHBondContact O-CG 3.2Å; K363-Q373 PolarHBondContact O-NE2 3.11Å
364L64.7Low60.4Low55 Ų5571.1 Ų71.129%0.28838%0.38SS..Hα-helixtrans-64.7-21.7-175.1-67.6175.3000113.7L360 L361 L394L360-L364 HydrophobicContact CG-CD1 4.1Å; L360-L364 VanDerWaalsContact O-CG 3.32Å; L360-L364 WeakPolarHBondContact O-CG 3.37Å; L360-L364 PolarHBondContact O-N 2.87Å; L361-L364 PolarHBondContact O-N 3.37Å; L364-L394 HydrophobicContact CD2-CD1 3.76Å; L364-L394 HydrophobicContact CD2-CD2 4.02Å; L364-L394 HydrophobicContact CD2-CG 4.3Å
365R63.1Low63.2Low115 Ų11567.4 Ų67.443%0.43436%0.356SS..  trans-45131.7177.5-165-176.7-169.9160.89.9112.9L361 H362 K363 R376L361-R365 PolarHBondContact O-N 3.48Å; H362-R365 PolarHBondContact NE2-NH1 3.23Å; H362-R365 VanDerWaalsContact NE2-NH1 3.12Å; K363-R365 PolarHBondContact O-N 2.98Å; R365-R376 PolarHBondContact O-NH2 3.35Å
366P69.6Low65.4Low18 Ų1867 Ų6712%0.11734%0.344CS..  trans-64.3158.2172.530.5-38.7000111.6G370 E371 I665 M667P366-G370 WeakPolarHBondContact CB-O 3.25Å; P366-E371 WeakPolarHBondContact CA-O 3.26Å; P366-I665 HydrophobicContact CG-CG2 3.89Å; P366-M667 HydrophobicContact CB-CE 4.16Å; P366-M667 HydrophobicContact CB-SD 3.95Å; P366-M667 HydrophobicContact CG-CE 4.46Å; P366-M667 HydrophobicContact CG-SD 3.66Å
367N77.5Confident67.6Low49 Ų4964.2 Ų64.226%0.26232%0.315SS..  trans-81.8-172.9169.775.46.5000112K369 G370 E371N367-K369 PolarHBondContact O-N 3.45Å; N367-K369 VanDerWaalsContact O-N 3.08Å; N367-K369 WeakPolarHBondContact OD1-CB 3.29Å; N367-K369 PolarHBondContact OD1-N 3.21Å; N367-G370 PolarHBondContact O-N 3.09Å; N367-G370 PolarHBondContact OD1-N 2.96Å; N367-E371 PolarHBondContact N-O 2.97Å; N367-E371 VanDerWaalsContact N-O 3.13Å; N367-E371 PolarHBondContact ND2-OE2 3.44Å; N367-E371 WeakPolarHBondContact OD1-CB 3.3Å; N367-E371 PolarHBondContact OD1-N 2.99Å; N367-E371 VanDerWaalsContact OD1-N 3.11Å
368S71.6Confident69.9Low120 Ų12057.6 Ų57.684%0.83929%0.286SS*.THydrogen-bonded Turntrans-65.9-5.5-178.654.10000115.7
369K68.8Low72.4Confident118 Ų11855.2 Ų55.251%0.51327%0.273SS..THydrogen-bonded Turntrans-106.9-0.2171.5-62.3166163-166.70112.8N367 E371 H401N367-K369 PolarHBondContact O-N 3.45Å; N367-K369 VanDerWaalsContact O-N 3.08Å; N367-K369 WeakPolarHBondContact OD1-CB 3.29Å; N367-K369 PolarHBondContact OD1-N 3.21Å; K369-E371 HydrophobicContact CB-CG 4.23Å; K369-E371 HydrophobicContact CD-CG 4.23Å; K369-E371 WeakPolarHBondContact CD-OE1 3.32Å; K369-E371 WeakPolarHBondContact CE-OE1 3.46Å; K369-E371 IonicContact NZ-OE1 3.61Å; K369-E371 PolarHBondContact NZ-OE1 3.49Å; K369-H401 VanDerWaalsContact C-CG 3.44Å; K369-H401 WeakPolarHBondContact O-CB 3.43Å; K369-H401 PolarHBondContact O-CD2 2.88Å; K369-H401 PolarHBondContact O-N 3.1Å
370G73.8Confident74.6Confident0 Ų056.9 Ų56.90%027%0.272CS..  trans87.2-2.8-17200000114.8P366 N367 S372 H401 M667P366-G370 WeakPolarHBondContact CB-O 3.25Å; N367-G370 PolarHBondContact O-N 3.09Å; N367-G370 PolarHBondContact OD1-N 2.96Å; G370-S372 PolarHBondContact O-N 2.7Å; G370-H401 VanDerWaalsContact CA-CE1 3.49Å; G370-H401 WeakPolarHBondContact CA-CE1 3.28Å; G370-H401 WeakPolarHBondContact CA-ND1 3.32Å; G370-H401 PolarHBondContact N-CD2 2.95Å; G370-H401 VanDerWaalsContact N-CD2 3.33Å; G370-H401 PolarHBondContact N-NE2 3.48Å; G370-M667 VanDerWaalsContact O-CE 3.24Å; G370-M667 WeakPolarHBondContact O-CE 3.14Å
371E80.7Confident76.6Confident17 Ų1753.7 Ų53.78%0.07926%0.26CS..  trans-62.1113.4-179.4-60.6167.2-169.700110.4P366 N367 K369 H375 R376P366-E371 WeakPolarHBondContact CA-O 3.26Å; N367-E371 PolarHBondContact N-O 2.97Å; N367-E371 VanDerWaalsContact N-O 3.13Å; N367-E371 PolarHBondContact ND2-OE2 3.44Å; N367-E371 WeakPolarHBondContact OD1-CB 3.3Å; N367-E371 PolarHBondContact OD1-N 2.99Å; N367-E371 VanDerWaalsContact OD1-N 3.11Å; K369-E371 HydrophobicContact CB-CG 4.23Å; K369-E371 HydrophobicContact CD-CG 4.23Å; K369-E371 WeakPolarHBondContact CD-OE1 3.32Å; K369-E371 WeakPolarHBondContact CE-OE1 3.46Å; K369-E371 IonicContact NZ-OE1 3.61Å; K369-E371 PolarHBondContact NZ-OE1 3.49Å; E371-H375 HydrophobicContact CB-CB 3.96Å; E371-H375 HydrophobicContact CG-CB 4.49Å; E371-R376 HydrophobicContact CB-CG 4.2Å; E371-R376 PolarHBondContact O-NE 3.13Å; E371-R376 PolarHBondContact O-NH2 3.22Å
372S84.2Confident78.7Confident4 Ų453 Ų533%0.02826%0.257CS..  trans-63.9177.4172.772.40000111.6G370 L374 H375 R376G370-S372 PolarHBondContact O-N 2.7Å; S372-L374 VanDerWaalsContact C-N 3.28Å; S372-L374 PolarHBondContact OG-N 2.91Å; S372-H375 PolarHBondContact N-ND1 3.32Å; S372-H375 PolarHBondContact OG-N 2.94Å; S372-H375 PolarHBondContact OG-ND1 3.46Å; S372-R376 PolarHBondContact O-N 2.85Å; S372-R376 PolarHBondContact O-NE 3.38Å; S372-R376 PolarHBondContact O-NH2 3.31Å
373Q85.1Confident80.7Confident47 Ų4750.5 Ų50.522%0.2225%0.247CC..Hα-helixtrans-63.3-37.7170.7-71.5-159.5-47.500111.7K363 R376 A377 L389K363-Q373 VanDerWaalsContact O-CG 3.22Å; K363-Q373 WeakPolarHBondContact O-CG 3.2Å; K363-Q373 PolarHBondContact O-NE2 3.11Å; Q373-R376 CarbonylContact O-C 3.58Å; Q373-R376 PolarHBondContact O-N 3.35Å; Q373-R376 VanDerWaalsContact O-N 3.11Å; Q373-A377 PolarHBondContact O-N 2.86Å; Q373-L389 HydrophobicContact CB-CD1 3.79Å; Q373-L389 HydrophobicContact CB-CD2 4.06Å
374L88.7Confident82.5Confident0 Ų048.6 Ų48.60%025%0.25CS..Hα-helixtrans-65.5-39.7-179.4-169.461.2000112.4S372 R376 A377 A378 V386 L389 L390 L394 P406 L422S372-L374 VanDerWaalsContact C-N 3.28Å; S372-L374 PolarHBondContact OG-N 2.91Å; L374-R376 VanDerWaalsContact C-N 3.34Å; L374-R376 PolarHBondContact O-N 3.46Å; L374-A377 PolarHBondContact O-N 3.21Å; L374-A378 WeakPolarHBondContact O-CB 3.43Å; L374-A378 PolarHBondContact O-N 3.08Å; L374-V386 HydrophobicContact CD1-CB 4.4Å; L374-V386 HydrophobicContact CD1-CG1 4.15Å; L374-V386 HydrophobicContact CD1-CG2 4.27Å; L374-L389 HydrophobicContact CB-CD1 4.46Å; L374-L389 HydrophobicContact CD1-CB 4.09Å; L374-L389 HydrophobicContact CD1-CD1 4.39Å; L374-L390 HydrophobicContact CD1-CD2 4.35Å; L374-L390 HydrophobicContact CD1-CG 4.18Å; L374-L390 HydrophobicContact CD2-CD2 3.83Å; L374-L394 HydrophobicContact CB-CD2 4.22Å; L374-P406 HydrophobicContact CB-CG 4.15Å; L374-P406 HydrophobicContact CD2-CB 4.46Å; L374-P406 HydrophobicContact CD2-CG 3.95Å; L374-P406 HydrophobicContact CG-CB 4.08Å; L374-P406 HydrophobicContact CG-CG 3.79Å; L374-L422 HydrophobicContact CD1-CD2 4.27Å; L374-L422 HydrophobicContact CD2-CD2 4.04Å; L374-L422 HydrophobicContact CG-CD2 4.24Å
375H89Confident83.7Confident1 Ų148.7 Ų48.71%0.00525%0.249CC..Hα-helixtrans-56.4-48169-74.788.9000111.5E371 S372 A377 A378 I379 I398 W404E371-H375 HydrophobicContact CB-CB 3.96Å; E371-H375 HydrophobicContact CG-CB 4.49Å; S372-H375 PolarHBondContact N-ND1 3.32Å; S372-H375 PolarHBondContact OG-N 2.94Å; S372-H375 PolarHBondContact OG-ND1 3.46Å; H375-A377 VanDerWaalsContact C-N 3.3Å; H375-A377 PolarHBondContact O-N 2.89Å; H375-A378 PolarHBondContact O-N 2.97Å; H375-I379 WeakPolarHBondContact O-CB 3.4Å; H375-I379 WeakPolarHBondContact O-CD1 3.35Å; H375-I379 WeakPolarHBondContact O-CG1 3.32Å; H375-I379 PolarHBondContact O-N 3.36Å; H375-I398 PolarHBondContact CE1-O 3.43Å; H375-W404 PolarHBondContact NE2-O 2.89Å
376R88.5Confident85Confident62 Ų6243.2 Ų43.223%0.23423%0.228CC..Hα-helixtrans-68.7-26.3-178.2-75.6172.8-79.9165.1-12.4113.4R365 E371 S372 Q373 L374 R380R365-R376 PolarHBondContact O-NH2 3.35Å; E371-R376 HydrophobicContact CB-CG 4.2Å; E371-R376 PolarHBondContact O-NE 3.13Å; E371-R376 PolarHBondContact O-NH2 3.22Å; S372-R376 PolarHBondContact O-N 2.85Å; S372-R376 PolarHBondContact O-NE 3.38Å; S372-R376 PolarHBondContact O-NH2 3.31Å; Q373-R376 CarbonylContact O-C 3.58Å; Q373-R376 PolarHBondContact O-N 3.35Å; Q373-R376 VanDerWaalsContact O-N 3.11Å; L374-R376 VanDerWaalsContact C-N 3.34Å; L374-R376 PolarHBondContact O-N 3.46Å; R376-R380 PolarHBondContact O-NH1 2.84Å; R376-R380 VanDerWaalsContact O-NH1 3.13Å; R376-R380 PolarHBondContact O-NH2 3.32Å
377A90.3Very high85.9Confident0 Ų047.4 Ų47.40%025%0.246CC..Hα-helixtrans-74.5-45.9171.100000111Q373 L374 H375 I379 R380 G381 D382 Q385 V386 L389Q373-A377 PolarHBondContact O-N 2.86Å; L374-A377 PolarHBondContact O-N 3.21Å; H375-A377 VanDerWaalsContact C-N 3.3Å; H375-A377 PolarHBondContact O-N 2.89Å; A377-I379 PolarHBondContact O-N 3.5Å; A377-R380 WeakPolarHBondContact O-CB 3.22Å; A377-R380 PolarHBondContact O-N 2.91Å; A377-R380 VanDerWaalsContact O-N 3.07Å; A377-G381 PolarHBondContact O-N 3.39Å; A377-D382 PolarHBondContact O-N 2.88Å; A377-D382 VanDerWaalsContact O-N 3.17Å; A377-Q385 HydrophobicContact CB-CB 4.21Å; A377-Q385 HydrophobicContact CB-CG 3.95Å; A377-V386 HydrophobicContact CB-CG2 3.68Å; A377-L389 HydrophobicContact CB-CD1 4.11Å
378A92.5Very high86.4Confident0 Ų051 Ų510%026%0.262CS..Hα-helixtrans-61-43.4175.600000112.6L374 H375 R380 G381 P406 H415 V418L374-A378 WeakPolarHBondContact O-CB 3.43Å; L374-A378 PolarHBondContact O-N 3.08Å; H375-A378 PolarHBondContact O-N 2.97Å; A378-R380 PolarHBondContact O-N 3.34Å; A378-R380 VanDerWaalsContact O-N 3.16Å; A378-G381 PolarHBondContact O-N 2.92Å; A378-P406 HydrophobicContact CB-CB 4.03Å; A378-P406 WeakPolarHBondContact CB-O 3.47Å; A378-H415 PolarHBondContact O-CD2 3.05Å; A378-V418 HydrophobicContact CB-CG1 3.96Å
379I91.3Very high87.1Confident40 Ų4045.9 Ų45.921%0.20523%0.225CC..Hα-helixtrans-51.4-37.5172.2-76.4164.3000112.2H375 A377 E409 R413 H415H375-I379 WeakPolarHBondContact O-CB 3.4Å; H375-I379 WeakPolarHBondContact O-CD1 3.35Å; H375-I379 WeakPolarHBondContact O-CG1 3.32Å; H375-I379 PolarHBondContact O-N 3.36Å; A377-I379 PolarHBondContact O-N 3.5Å; I379-E409 HydrophobicContact CD1-CG 4.24Å; I379-E409 HydrophobicContact CG1-CB 4.03Å; I379-E409 HydrophobicContact CG1-CG 3.88Å; I379-E409 VanDerWaalsContact CG1-OE2 3.32Å; I379-E409 WeakPolarHBondContact CG1-OE2 3.42Å; I379-R413 VanDerWaalsContact O-CD 3.3Å; I379-R413 WeakPolarHBondContact O-CD 3.46Å; I379-H415 PolarHBondContact O-NE2 3.2Å
380R88.4Confident88Confident139 Ų13941.6 Ų41.653%0.52521%0.208SC..Hα-helixtrans-82.9-17.2-179.5-79.6-169.8-72-79.70114.5R376 A377 A378 D382R376-R380 PolarHBondContact O-NH1 2.84Å; R376-R380 VanDerWaalsContact O-NH1 3.13Å; R376-R380 PolarHBondContact O-NH2 3.32Å; A377-R380 WeakPolarHBondContact O-CB 3.22Å; A377-R380 PolarHBondContact O-N 2.91Å; A377-R380 VanDerWaalsContact O-N 3.07Å; A378-R380 PolarHBondContact O-N 3.34Å; A378-R380 VanDerWaalsContact O-N 3.16Å; R380-D382 VanDerWaalsContact C-N 3.26Å; R380-D382 HydrophobicContact CB-CB 4.03Å
381G90.7Very high88.5Confident22 Ų2246.5 Ų46.523%0.22724%0.242CC..THydrogen-bonded Turntrans71.620.1-166.100000113.3A377 A378 I383 H415A377-G381 PolarHBondContact O-N 3.39Å; A378-G381 PolarHBondContact O-N 2.92Å; G381-I383 PolarHBondContact O-N 3.07Å; G381-H415 PolarHBondContact N-NE2 3.08Å
382D91.3Very high88.4Confident54 Ų5449.1 Ų49.129%0.28927%0.267SS..  trans-82.582.8-173.5-172.5-13.7000110.8A377 R380 S384 Q385 V386A377-D382 PolarHBondContact O-N 2.88Å; A377-D382 VanDerWaalsContact O-N 3.17Å; R380-D382 VanDerWaalsContact C-N 3.26Å; R380-D382 HydrophobicContact CB-CB 4.03Å; D382-S384 VanDerWaalsContact C-N 3.33Å; D382-S384 PolarHBondContact O-N 3.34Å; D382-Q385 HydrophobicContact CB-CB 4.15Å; D382-Q385 PolarHBondContact O-N 3.07Å; D382-Q385 WeakPolarHBondContact OD1-CB 3.3Å; D382-Q385 PolarHBondContact OD1-N 3Å; D382-Q385 VanDerWaalsContact OD1-N 3.14Å; D382-Q385 WeakPolarHBondContact OD2-CB 3.4Å; D382-V386 WeakPolarHBondContact O-CG2 3.45Å; D382-V386 PolarHBondContact O-N 2.81Å
383I92.4Very high88Confident67 Ų6752.1 Ų52.134%0.34430%0.298SS..Hα-helixtrans-54.9-47.9-176.8-55161.4000110.9G381 Q385 V386 E387 E417 V418G381-I383 PolarHBondContact O-N 3.07Å; I383-Q385 VanDerWaalsContact C-N 3.29Å; I383-Q385 PolarHBondContact O-N 2.97Å; I383-V386 WeakPolarHBondContact O-CB 3.47Å; I383-V386 PolarHBondContact O-N 2.91Å; I383-E387 HydrophobicContact CG2-CG 4.37Å; I383-E387 PolarHBondContact O-N 3.11Å; I383-E417 HydrophobicContact CD1-CB 3.51Å; I383-E417 HydrophobicContact CD1-CG 4.18Å; I383-E417 HydrophobicContact CG1-CB 4.03Å; I383-V418 HydrophobicContact CG1-CG2 3.98Å
384S90.9Very high87.6Confident93 Ų9351.1 Ų51.165%0.6529%0.294SS*.Hα-helixtrans-58.3-41.3-178.4-530000112.2D382 E388D382-S384 VanDerWaalsContact C-N 3.33Å; D382-S384 PolarHBondContact O-N 3.34Å; S384-E388 WeakPolarHBondContact O-CB 3.41Å; S384-E388 PolarHBondContact O-N 3.12Å
385Q88.5Confident87.3Confident56 Ų5653 Ų5326%0.26231%0.307SS..Hα-helixtrans-75.8-30.9176.2-173.4166.8101.300113.1A377 D382 I383 L389A377-Q385 HydrophobicContact CB-CB 4.21Å; A377-Q385 HydrophobicContact CB-CG 3.95Å; D382-Q385 HydrophobicContact CB-CB 4.15Å; D382-Q385 PolarHBondContact O-N 3.07Å; D382-Q385 WeakPolarHBondContact OD1-CB 3.3Å; D382-Q385 PolarHBondContact OD1-N 3Å; D382-Q385 VanDerWaalsContact OD1-N 3.14Å; D382-Q385 WeakPolarHBondContact OD2-CB 3.4Å; I383-Q385 VanDerWaalsContact C-N 3.29Å; I383-Q385 PolarHBondContact O-N 2.97Å; Q385-L389 HydrophobicContact CG-CD1 3.95Å; Q385-L389 HydrophobicContact CG-CG 4.32Å; Q385-L389 VanDerWaalsContact O-CB 3.31Å; Q385-L389 WeakPolarHBondContact O-CB 3.06Å; Q385-L389 WeakPolarHBondContact O-CD1 3.44Å; Q385-L389 WeakPolarHBondContact O-CG 3.43Å; Q385-L389 PolarHBondContact O-N 3.45Å
386V90.3Very high87.1Confident0 Ų053.6 Ų53.60%031%0.311CS..Hα-helixtrans-62.8-47.7171.3166.60000109.8L374 A377 D382 I383 L389 L390 V418 A421 L422L374-V386 HydrophobicContact CD1-CB 4.4Å; L374-V386 HydrophobicContact CD1-CG1 4.15Å; L374-V386 HydrophobicContact CD1-CG2 4.27Å; A377-V386 HydrophobicContact CB-CG2 3.68Å; D382-V386 WeakPolarHBondContact O-CG2 3.45Å; D382-V386 PolarHBondContact O-N 2.81Å; I383-V386 WeakPolarHBondContact O-CB 3.47Å; I383-V386 PolarHBondContact O-N 2.91Å; V386-L389 PolarHBondContact O-N 2.8Å; V386-L390 HydrophobicContact CG1-CD1 3.58Å; V386-L390 HydrophobicContact CG1-CG 4.39Å; V386-L390 WeakPolarHBondContact O-CB 3.3Å; V386-L390 WeakPolarHBondContact O-CD1 3.28Å; V386-L390 WeakPolarHBondContact O-CG 3.45Å; V386-L390 PolarHBondContact O-N 3.46Å; V386-V418 HydrophobicContact CG1-CG1 4.46Å; V386-V418 HydrophobicContact CG2-CG1 4.04Å; V386-V418 HydrophobicContact CG2-CG2 4.25Å; V386-A421 HydrophobicContact CG1-CB 4.01Å; V386-L422 HydrophobicContact CG1-CD2 4.34Å; V386-L422 HydrophobicContact CG1-CG 4.32Å
387E90.4Very high87Confident106 Ų10652.1 Ų52.150%0.49531%0.308SS..Hα-helixtrans-65-42.3176.7-67.7-171.2140.800112.4I383 L389 L390 S391 A421I383-E387 HydrophobicContact CG2-CG 4.37Å; I383-E387 PolarHBondContact O-N 3.11Å; E387-L389 PolarHBondContact O-N 3.06Å; E387-L390 PolarHBondContact O-N 3.31Å; E387-S391 WeakPolarHBondContact O-CB 3.42Å; E387-S391 PolarHBondContact O-N 3.1Å; E387-S391 PolarHBondContact O-OG 3.37Å; E387-A421 HydrophobicContact CG-CB 4.34Å
388E87.5Confident86.7Confident125 Ų12554 Ų5458%0.58432%0.317SS*.Hα-helixtrans-55.7-50.9173.1-173.5-171.5177.800111S384 S391 A392S384-E388 WeakPolarHBondContact O-CB 3.41Å; S384-E388 PolarHBondContact O-N 3.12Å; E388-S391 PolarHBondContact O-N 3.46Å; E388-S391 PolarHBondContact O-OG 3.26Å; E388-A392 PolarHBondContact O-N 3.16Å
389L86.8Confident86.2Confident13 Ų1356.9 Ų56.97%0.06833%0.328CS..Hα-helixtrans-68.2-36.7-177.8-71.4171.4000113.2Q373 L374 A377 Q385 V386 E387 A392 L394Q373-L389 HydrophobicContact CB-CD1 3.79Å; Q373-L389 HydrophobicContact CB-CD2 4.06Å; L374-L389 HydrophobicContact CB-CD1 4.46Å; L374-L389 HydrophobicContact CD1-CB 4.09Å; L374-L389 HydrophobicContact CD1-CD1 4.39Å; A377-L389 HydrophobicContact CB-CD1 4.11Å; Q385-L389 HydrophobicContact CG-CD1 3.95Å; Q385-L389 HydrophobicContact CG-CG 4.32Å; Q385-L389 VanDerWaalsContact O-CB 3.31Å; Q385-L389 WeakPolarHBondContact O-CB 3.06Å; Q385-L389 WeakPolarHBondContact O-CD1 3.44Å; Q385-L389 WeakPolarHBondContact O-CG 3.43Å; Q385-L389 PolarHBondContact O-N 3.45Å; V386-L389 PolarHBondContact O-N 2.8Å; E387-L389 PolarHBondContact O-N 3.06Å; L389-A392 PolarHBondContact O-N 2.92Å; L389-L394 HydrophobicContact CB-CD2 4.35Å; L389-L394 HydrophobicContact CD2-CD1 4.28Å; L389-L394 HydrophobicContact CD2-CD2 4.17Å; L389-L394 WeakPolarHBondContact O-CB 3.37Å; L389-L394 VanDerWaalsContact O-CD1 3.26Å; L389-L394 WeakPolarHBondContact O-CD1 3.39Å; L389-L394 PolarHBondContact O-N 3.29Å
390L87.3Confident85.8Confident28 Ų2856.2 Ų56.215%0.14733%0.325CS..Hα-helixtrans-68.6-40.1174.7-68.7166.5000110.8L374 V386 E387 A392 G393 P396 L422 A425L374-L390 HydrophobicContact CD1-CD2 4.35Å; L374-L390 HydrophobicContact CD1-CG 4.18Å; L374-L390 HydrophobicContact CD2-CD2 3.83Å; V386-L390 HydrophobicContact CG1-CD1 3.58Å; V386-L390 HydrophobicContact CG1-CG 4.39Å; V386-L390 WeakPolarHBondContact O-CB 3.3Å; V386-L390 WeakPolarHBondContact O-CD1 3.28Å; V386-L390 WeakPolarHBondContact O-CG 3.45Å; V386-L390 PolarHBondContact O-N 3.46Å; E387-L390 PolarHBondContact O-N 3.31Å; L390-A392 PolarHBondContact O-N 3.04Å; L390-G393 PolarHBondContact O-N 3.23Å; L390-P396 HydrophobicContact CD2-CB 3.91Å; L390-L422 HydrophobicContact CD1-CD2 4.28Å; L390-L422 HydrophobicContact CD2-CD2 4.38Å; L390-A425 HydrophobicContact CB-CB 4.29Å; L390-A425 HydrophobicContact CD1-CB 3.78Å; L390-A425 HydrophobicContact CD2-CB 3.85Å; L390-A425 HydrophobicContact CG-CB 4.18Å
391S84.6Confident85.1Confident102 Ų10254.5 Ų54.571%0.71332%0.323SS*.Hα-helixtrans-64.4-26.5173.778.80000113.2E387 E388 G393E387-S391 WeakPolarHBondContact O-CB 3.42Å; E387-S391 PolarHBondContact O-N 3.1Å; E387-S391 PolarHBondContact O-OG 3.37Å; E388-S391 PolarHBondContact O-N 3.46Å; E388-S391 PolarHBondContact O-OG 3.26Å; S391-G393 PolarHBondContact O-N 3.22Å
392A78.1Confident84.3Confident73 Ų7355.8 Ų55.860%0.60333%0.332SS*.THydrogen-bonded Turntrans-808.3172.100000114E388 L389 L390 L394E388-A392 PolarHBondContact O-N 3.16Å; L389-A392 PolarHBondContact O-N 2.92Å; L390-A392 PolarHBondContact O-N 3.04Å; A392-L394 HydrophobicContact CB-CD1 4.19Å
393G74.9Confident83.7Confident66 Ų6654.1 Ų54.168%0.6833%0.327SS*.THydrogen-bonded Turntrans80.918.1172.900000115.6L390 S391 S395L390-G393 PolarHBondContact O-N 3.23Å; S391-G393 PolarHBondContact O-N 3.22Å; G393-S395 PolarHBondContact O-N 3.48Å
394L77.9Confident83.3Confident26 Ų2653 Ų5314%0.13632%0.318CS..  trans-71.7129.2172.5-81.376.3000110.3L364 L374 L389 A392L364-L394 HydrophobicContact CD2-CD1 3.76Å; L364-L394 HydrophobicContact CD2-CD2 4.02Å; L364-L394 HydrophobicContact CD2-CG 4.3Å; L374-L394 HydrophobicContact CB-CD2 4.22Å; L389-L394 HydrophobicContact CB-CD2 4.35Å; L389-L394 HydrophobicContact CD2-CD1 4.28Å; L389-L394 HydrophobicContact CD2-CD2 4.17Å; L389-L394 WeakPolarHBondContact O-CB 3.37Å; L389-L394 VanDerWaalsContact O-CD1 3.26Å; L389-L394 WeakPolarHBondContact O-CD1 3.39Å; L389-L394 PolarHBondContact O-N 3.29Å; A392-L394 HydrophobicContact CB-CD1 4.19Å
395S81.1Confident83.2Confident41 Ų4148.7 Ų48.729%0.28729%0.288SS..  trans-56.1127172.6173.10000110.9G393 N397 I398G393-S395 PolarHBondContact O-N 3.48Å; S395-N397 PolarHBondContact O-N 2.89Å; S395-N397 PolarHBondContact OG-N 3.29Å; S395-I398 WeakPolarHBondContact O-CB 3.19Å; S395-I398 VanDerWaalsContact O-CG2 3.29Å; S395-I398 WeakPolarHBondContact O-CG2 3.42Å; S395-I398 PolarHBondContact O-N 3.49Å
396P85.9Confident83.3Confident13 Ų1346 Ų468%0.08428%0.275CS..THydrogen-bonded Turntrans-68.7-18174.730.2-36.6000112.6L390 L422 A427L390-P396 HydrophobicContact CD2-CB 3.91Å; P396-L422 HydrophobicContact CB-CD2 4.17Å; P396-A427 HydrophobicContact CB-CB 4.03Å
397N85.8Confident83.4Confident30 Ų3046 Ų4616%0.1628%0.275CS..THydrogen-bonded Turntrans-92.3-2.7-176.2-63.6-49.2000113.7S395 T405 G426 A427 T428 I431S395-N397 PolarHBondContact O-N 2.89Å; S395-N397 PolarHBondContact OG-N 3.29Å; N397-T405 WeakPolarHBondContact O-CG2 3.44Å; N397-G426 PolarHBondContact ND2-O 2.59Å; N397-A427 WeakPolarHBondContact OD1-CA 3.11Å; N397-T428 PolarHBondContact OD1-N 2.94Å; N397-I431 HydrophobicContact CB-CD1 3.81Å; N397-I431 WeakPolarHBondContact OD1-CD1 3.3Å
398I83.6Confident83.5Confident40 Ų4041 Ų4121%0.20525%0.252CS..  trans-52140.3-176.7-163.2168.6000112.1H375 S395 P406 E670H375-I398 PolarHBondContact CE1-O 3.43Å; S395-I398 WeakPolarHBondContact O-CB 3.19Å; S395-I398 VanDerWaalsContact O-CG2 3.29Å; S395-I398 WeakPolarHBondContact O-CG2 3.42Å; S395-I398 PolarHBondContact O-N 3.49Å; I398-P406 HydrophobicContact CG2-CG 4.09Å; I398-P406 VanDerWaalsContact O-CD 3.25Å; I398-P406 WeakPolarHBondContact O-CD 3.47Å; I398-E670 WeakPolarHBondContact CA-OE1 3.39Å
399R82.7Confident83.7Confident60 Ų6036 Ų3623%0.22623%0.228CC..  trans-109.5150.3-174-63.8-179.8-172.4-115.712.1115.5G403 W404 T405 I431 P432 M667R399-G403 PolarHBondContact NH1-O 2.87Å; R399-W404 WeakPolarHBondContact CA-O 3.32Å; R399-T405 HydrophobicContact CG-CG2 4.08Å; R399-I431 VanDerWaalsContact CZ-CG2 3.49Å; R399-I431 VanDerWaalsContact NH2-CG2 3.31Å; R399-P432 PolarHBondContact NH1-O 2.93Å; R399-M667 WeakPolarHBondContact O-CE 3.43Å
400D81.8Confident84Confident27 Ų2735.3 Ų35.314%0.14423%0.225CC..  trans-83.6-173.316995-45.8000112.6A402 G403 W404D400-A402 VanDerWaalsContact C-N 3.34Å; D400-A402 VanDerWaalsContact CG-N 3.29Å; D400-A402 VanDerWaalsContact OD1-C 3.29Å; D400-A402 WeakPolarHBondContact OD1-CA 3.3Å; D400-A402 PolarHBondContact OD1-N 3.42Å; D400-A402 PolarHBondContact OD2-N 3.35Å; D400-G403 PolarHBondContact O-N 3.14Å; D400-G403 PolarHBondContact OD1-N 3.5Å; D400-W404 PolarHBondContact N-O 2.99Å; D400-W404 VanDerWaalsContact N-O 3.08Å; D400-W404 WeakPolarHBondContact OD1-CB 3.46Å; D400-W404 PolarHBondContact OD1-N 3.31Å
401H74.7Confident84.2Confident102 Ų10234 Ų3447%0.47222%0.218SC..THydrogen-bonded Turntrans-73.1-20.6177.1-63.9-18.9000114.2K369 G370 K666K369-H401 VanDerWaalsContact C-CG 3.44Å; K369-H401 WeakPolarHBondContact O-CB 3.43Å; K369-H401 PolarHBondContact O-CD2 2.88Å; K369-H401 PolarHBondContact O-N 3.1Å; G370-H401 VanDerWaalsContact CA-CE1 3.49Å; G370-H401 WeakPolarHBondContact CA-CE1 3.28Å; G370-H401 WeakPolarHBondContact CA-ND1 3.32Å; G370-H401 PolarHBondContact N-CD2 2.95Å; G370-H401 VanDerWaalsContact N-CD2 3.33Å; G370-H401 PolarHBondContact N-NE2 3.48Å; H401-K666 PolarHBondContact CE1-O 3.15Å
402A73Confident84.4Confident50 Ų5031.5 Ų31.541%0.41320%0.196SC..THydrogen-bonded Turntrans-91.4-1.6172.600000113.2D400 W404 G434D400-A402 VanDerWaalsContact C-N 3.34Å; D400-A402 VanDerWaalsContact CG-N 3.29Å; D400-A402 VanDerWaalsContact OD1-C 3.29Å; D400-A402 WeakPolarHBondContact OD1-CA 3.3Å; D400-A402 PolarHBondContact OD1-N 3.42Å; D400-A402 PolarHBondContact OD2-N 3.35Å; A402-W404 VanDerWaalsContact CB-CD1 3.48Å; A402-G434 CarbonylContact O-C 3.56Å; A402-G434 WeakPolarHBondContact O-CA 3.44Å; A402-G434 PolarHBondContact O-N 3.1Å
403G78.8Confident85Confident18 Ų1832.8 Ų32.819%0.18619%0.186CC..SBendtrans90.84.1174.400000115.6R399 D400 G433R399-G403 PolarHBondContact NH1-O 2.87Å; D400-G403 PolarHBondContact O-N 3.14Å; D400-G403 PolarHBondContact OD1-N 3.5Å; G403-G433 WeakPolarHBondContact O-CA 3.37Å
404W84.1Confident85.6Confident45 Ų4530.5 Ų30.517%0.1716%0.163CC..  trans-66.9158.6175.7-61.170.6000110.6H375 R399 D400 A402 H408 L412 G434 E443H375-W404 PolarHBondContact NE2-O 2.89Å; R399-W404 WeakPolarHBondContact CA-O 3.32Å; D400-W404 PolarHBondContact N-O 2.99Å; D400-W404 VanDerWaalsContact N-O 3.08Å; D400-W404 WeakPolarHBondContact OD1-CB 3.46Å; D400-W404 PolarHBondContact OD1-N 3.31Å; A402-W404 VanDerWaalsContact CB-CD1 3.48Å; W404-H408 HydrophobicContact CB-CB 4.45Å; W404-H408 HydrophobicContact CD2-CB 4.4Å; W404-H408 HydrophobicContact CE3-CB 3.49Å; W404-H408 VanDerWaalsContact CE3-CB 3.49Å; W404-H408 HydrophobicContact CZ3-CB 4.11Å; W404-L412 HydrophobicContact CH2-CD1 4.45Å; W404-L412 HydrophobicContact CZ3-CD1 4.28Å; W404-G434 VanDerWaalsContact NE1-CA 3.27Å; W404-E443 HydrophobicContact CH2-CG 4.14Å; W404-E443 WeakPolarHBondContact CH2-OE1 3.29Å; W404-E443 WeakPolarHBondContact CH2-OE2 3.24Å; W404-E443 VanDerWaalsContact CZ3-CD 3.46Å; W404-E443 HydrophobicContact CZ3-CG 3.81Å
405T88.6Confident86.4Confident1 Ų131.9 Ų31.91%0.00617%0.168CC..  trans-117.5165.9169.871.10000110.5N397 R399 L407 H408 E409 I431N397-T405 WeakPolarHBondContact O-CG2 3.44Å; R399-T405 HydrophobicContact CG-CG2 4.08Å; T405-L407 PolarHBondContact O-N 3.28Å; T405-L407 VanDerWaalsContact O-N 3.09Å; T405-L407 PolarHBondContact OG1-N 3.17Å; T405-H408 PolarHBondContact N-ND1 2.99Å; T405-H408 WeakPolarHBondContact O-CB 3.4Å; T405-H408 PolarHBondContact O-N 2.93Å; T405-H408 PolarHBondContact OG1-ND1 3.33Å; T405-E409 PolarHBondContact O-N 3.4Å; T405-I431 HydrophobicContact CG2-CB 4.32Å; T405-I431 HydrophobicContact CG2-CD1 3.99Å; T405-I431 HydrophobicContact CG2-CG2 3.74Å
406P91Very high86.9Confident0 Ų031 Ų310%016%0.162CC..Hα-helixtrans-53.3-29.2172.6-2835.6000113.9L374 A378 I398 E409 A410 L422L374-P406 HydrophobicContact CB-CG 4.15Å; L374-P406 HydrophobicContact CD2-CB 4.46Å; L374-P406 HydrophobicContact CD2-CG 3.95Å; L374-P406 HydrophobicContact CG-CB 4.08Å; L374-P406 HydrophobicContact CG-CG 3.79Å; A378-P406 HydrophobicContact CB-CB 4.03Å; A378-P406 WeakPolarHBondContact CB-O 3.47Å; I398-P406 HydrophobicContact CG2-CG 4.09Å; I398-P406 VanDerWaalsContact O-CD 3.25Å; I398-P406 WeakPolarHBondContact O-CD 3.47Å; P406-E409 PolarHBondContact O-N 3.3Å; P406-A410 WeakPolarHBondContact O-CB 3.47Å; P406-A410 PolarHBondContact O-N 2.79Å; P406-L422 HydrophobicContact CB-CD1 3.91Å; P406-L422 HydrophobicContact CB-CD2 3.98Å
407L93.8Very high87.3Confident0 Ų035 Ų350%018%0.179CC..Hα-helixtrans-70.5-33.5176.5-172.161.9000112.4T405 A410 A411 A419 L422 I423 A427 V429 P440 F452 L456T405-L407 PolarHBondContact O-N 3.28Å; T405-L407 VanDerWaalsContact O-N 3.09Å; T405-L407 PolarHBondContact OG1-N 3.17Å; L407-A410 PolarHBondContact O-N 3.26Å; L407-A411 WeakPolarHBondContact O-CB 3.11Å; L407-A411 PolarHBondContact O-N 3.47Å; L407-A419 HydrophobicContact CD1-CB 3.81Å; L407-L422 HydrophobicContact CB-CD1 4.36Å; L407-L422 HydrophobicContact CD1-CD1 4.42Å; L407-I423 HydrophobicContact CD1-CD1 4.32Å; L407-I423 HydrophobicContact CD1-CG1 4.24Å; L407-I423 HydrophobicContact CD2-CG1 4.29Å; L407-A427 HydrophobicContact CD2-CB 4.22Å; L407-V429 HydrophobicContact CD2-CG1 4.49Å; L407-P440 HydrophobicContact CB-CG 4.42Å; L407-P440 HydrophobicContact CD2-CB 4.44Å; L407-P440 HydrophobicContact CD2-CG 4.09Å; L407-P440 HydrophobicContact CG-CB 4.16Å; L407-P440 HydrophobicContact CG-CG 4.04Å; L407-F452 HydrophobicContact CD1-CZ 4.17Å; L407-L456 HydrophobicContact CD2-CD2 4.32Å
408H91.2Very high87.6Confident0 Ų033.6 Ų33.60%017%0.172CC..Hα-helixtrans-69.5-42.4172.4-62.269.7000111.3W404 T405 A410 A411 L412 I431 G433 E438W404-H408 HydrophobicContact CB-CB 4.45Å; W404-H408 HydrophobicContact CD2-CB 4.4Å; W404-H408 HydrophobicContact CE3-CB 3.49Å; W404-H408 VanDerWaalsContact CE3-CB 3.49Å; W404-H408 HydrophobicContact CZ3-CB 4.11Å; T405-H408 PolarHBondContact N-ND1 2.99Å; T405-H408 WeakPolarHBondContact O-CB 3.4Å; T405-H408 PolarHBondContact O-N 2.93Å; T405-H408 PolarHBondContact OG1-ND1 3.33Å; H408-A410 PolarHBondContact O-N 3.05Å; H408-A411 WeakPolarHBondContact O-CB 3.47Å; H408-A411 PolarHBondContact O-N 2.73Å; H408-A411 VanDerWaalsContact O-N 3.09Å; H408-L412 WeakPolarHBondContact O-CB 3.5Å; H408-L412 PolarHBondContact O-N 2.73Å; H408-I431 PolarHBondContact CE1-O 3.43Å; H408-I431 PolarHBondContact NE2-O 3.15Å; H408-I431 VanDerWaalsContact NE2-O 3.12Å; H408-G433 PolarHBondContact NE2-N 3.13Å; H408-E438 PolarHBondContact NE2-O 3.25Å
409E92.2Very high88.1Confident20 Ų2031.7 Ų31.79%0.09316%0.162CC..Hα-helixtrans-65.5-28.2176.4-83.9-75.1-16500112.6I379 T405 P406 R413I379-E409 HydrophobicContact CD1-CG 4.24Å; I379-E409 HydrophobicContact CG1-CB 4.03Å; I379-E409 HydrophobicContact CG1-CG 3.88Å; I379-E409 VanDerWaalsContact CG1-OE2 3.32Å; I379-E409 WeakPolarHBondContact CG1-OE2 3.42Å; T405-E409 PolarHBondContact O-N 3.4Å; P406-E409 PolarHBondContact O-N 3.3Å; E409-R413 WeakPolarHBondContact O-CD 3.43Å; E409-R413 VanDerWaalsContact O-CG 3.26Å; E409-R413 WeakPolarHBondContact O-CG 3.3Å; E409-R413 PolarHBondContact O-NE 2.87Å; E409-R413 IonicContact OE1-NH2 3.7Å; E409-R413 IonicContact OE2-CZ 3.19Å; E409-R413 IonicContact OE2-NE 2.85Å; E409-R413 PolarHBondContact OE2-NE 3.4Å; E409-R413 IonicContact OE2-NH2 2.7Å; E409-R413 PolarHBondContact OE2-NH2 2.84Å
410A92.8Very high88.6Confident0 Ų033.1 Ų33.10%017%0.17CC..Hα-helixtrans-71.8-42.816800000111.9P406 L407 H408 R413 G414 H415 V418 F452P406-A410 WeakPolarHBondContact O-CB 3.47Å; P406-A410 PolarHBondContact O-N 2.79Å; L407-A410 PolarHBondContact O-N 3.26Å; H408-A410 PolarHBondContact O-N 3.05Å; A410-R413 CarbonylContact O-C 3.58Å; A410-R413 PolarHBondContact O-N 3.12Å; A410-G414 PolarHBondContact O-N 3.31Å; A410-H415 HydrophobicContact CB-CB 4.24Å; A410-H415 PolarHBondContact O-N 3.06Å; A410-V418 HydrophobicContact CB-CG1 4.03Å; A410-F452 VanDerWaalsContact C-CE2 3.43Å; A410-F452 HydrophobicContact CB-CE2 3.9Å; A410-F452 HydrophobicContact CB-CZ 3.88Å; A410-F452 WeakPolarHBondContact O-CE2 3.47Å
411A92Very high89.1Confident0 Ų032.3 Ų32.30%017%0.167CC..Hα-helixtrans-62.6-47.7-179.700000113L407 H408 R413 G414 P440 E443 A444 F452L407-A411 WeakPolarHBondContact O-CB 3.11Å; L407-A411 PolarHBondContact O-N 3.47Å; H408-A411 WeakPolarHBondContact O-CB 3.47Å; H408-A411 PolarHBondContact O-N 2.73Å; H408-A411 VanDerWaalsContact O-N 3.09Å; A411-R413 PolarHBondContact O-N 3.13Å; A411-G414 PolarHBondContact O-N 3.21Å; A411-P440 HydrophobicContact CB-CB 4.1Å; A411-P440 WeakPolarHBondContact CB-O 3.47Å; A411-E443 HydrophobicContact CB-CB 4.21Å; A411-A444 HydrophobicContact CB-CB 4.26Å; A411-F452 VanDerWaalsContact CA-CE1 3.43Å; A411-F452 HydrophobicContact CB-CD1 3.93Å; A411-F452 HydrophobicContact CB-CE1 3.39Å; A411-F452 HydrophobicContact CB-CZ 3.73Å; A411-F452 VanDerWaalsContact N-CZ 3.25Å
412L89.2Confident89.9Confident49 Ų4927.5 Ų27.526%0.25715%0.145SC..THydrogen-bonded Turntrans-52.7-24.7174.7-168.484.3000112.7W404 H408 E443W404-L412 HydrophobicContact CH2-CD1 4.45Å; W404-L412 HydrophobicContact CZ3-CD1 4.28Å; H408-L412 WeakPolarHBondContact O-CB 3.5Å; H408-L412 PolarHBondContact O-N 2.73Å; L412-E443 VanDerWaalsContact CD1-OE2 3.3Å; L412-E443 WeakPolarHBondContact CD1-OE2 3.44Å
413R89.1Confident90.8Very high100 Ų10026.2 Ų26.238%0.37713%0.131SC..THydrogen-bonded Turntrans-116-7.8-169.8-60.1174.3-164.7-78.3-9.1114.3I379 E409 A410 A411 H415I379-R413 VanDerWaalsContact O-CD 3.3Å; I379-R413 WeakPolarHBondContact O-CD 3.46Å; E409-R413 WeakPolarHBondContact O-CD 3.43Å; E409-R413 VanDerWaalsContact O-CG 3.26Å; E409-R413 WeakPolarHBondContact O-CG 3.3Å; E409-R413 PolarHBondContact O-NE 2.87Å; E409-R413 IonicContact OE1-NH2 3.7Å; E409-R413 IonicContact OE2-CZ 3.19Å; E409-R413 IonicContact OE2-NE 2.85Å; E409-R413 PolarHBondContact OE2-NE 3.4Å; E409-R413 IonicContact OE2-NH2 2.7Å; E409-R413 PolarHBondContact OE2-NH2 2.84Å; A410-R413 CarbonylContact O-C 3.58Å; A410-R413 PolarHBondContact O-N 3.12Å; A411-R413 PolarHBondContact O-N 3.13Å; R413-H415 VanDerWaalsContact CB-CD2 3.42Å; R413-H415 WeakPolarHBondContact CB-CD2 3.07Å
414G89.3Confident91.4Very high19 Ų1934 Ų3420%0.19616%0.16CC..THydrogen-bonded Turntrans74.419-176.800000115.1A410 A411 C416 Q449A410-G414 PolarHBondContact O-N 3.31Å; A411-G414 PolarHBondContact O-N 3.21Å; G414-C416 VanDerWaalsContact C-N 3.25Å; G414-C416 PolarHBondContact O-N 3.22Å; G414-C416 PolarHBondContact O-SG 3.43Å; G414-C416 VanDerWaalsContact O-SG 3.34Å; G414-Q449 VanDerWaalsContact CA-CD 3.44Å
415H93.7Very high91.5Very high54 Ų5434.2 Ų34.225%0.2517%0.171CC..  trans-76.469.4-174.9-69.3-49.1000112.6A378 I379 G381 A410 R413 E417 V418 A419A378-H415 PolarHBondContact O-CD2 3.05Å; I379-H415 PolarHBondContact O-NE2 3.2Å; G381-H415 PolarHBondContact N-NE2 3.08Å; A410-H415 HydrophobicContact CB-CB 4.24Å; A410-H415 PolarHBondContact O-N 3.06Å; R413-H415 VanDerWaalsContact CB-CD2 3.42Å; R413-H415 WeakPolarHBondContact CB-CD2 3.07Å; H415-E417 PolarHBondContact O-N 2.94Å; H415-V418 HydrophobicContact CB-CB 4.11Å; H415-V418 HydrophobicContact CB-CG2 4.41Å; H415-V418 WeakPolarHBondContact O-CB 3.17Å; H415-V418 PolarHBondContact O-N 3.27Å; H415-V418 VanDerWaalsContact O-N 3.14Å; H415-A419 PolarHBondContact O-N 3.05Å; H415-A419 VanDerWaalsContact O-N 3.11Å
416C92.3Very high91.3Very high24 Ų2436.3 Ų36.316%0.16219%0.192CC..Hα-helixtrans-58.2-42.2-170.3-62.80000113.7G414 V418 A419 K420 L455G414-C416 VanDerWaalsContact C-N 3.25Å; G414-C416 PolarHBondContact O-N 3.22Å; G414-C416 PolarHBondContact O-SG 3.43Å; G414-C416 VanDerWaalsContact O-SG 3.34Å; C416-V418 VanDerWaalsContact C-N 3.34Å; C416-V418 PolarHBondContact O-N 3.4Å; C416-A419 WeakPolarHBondContact O-CB 3.47Å; C416-A419 PolarHBondContact O-N 3.12Å; C416-A419 VanDerWaalsContact O-N 3.11Å; C416-K420 PolarHBondContact O-N 3.11Å; C416-L455 HydrophobicContact CB-CD1 3.95Å; C416-L455 WeakPolarHBondContact O-CD1 3.42Å
417E92.9Very high91Very high95 Ų9536.7 Ų36.744%0.44420%0.195SC..Hα-helixtrans-66.6-34.2178.8-56.1-48.5131.800112.9I383 H415 A419 K420 A421I383-E417 HydrophobicContact CD1-CB 3.51Å; I383-E417 HydrophobicContact CD1-CG 4.18Å; I383-E417 HydrophobicContact CG1-CB 4.03Å; H415-E417 PolarHBondContact O-N 2.94Å; E417-A419 VanDerWaalsContact C-N 3.32Å; E417-K420 PolarHBondContact O-N 2.72Å; E417-K420 IonicContact OE1-NZ 2.67Å; E417-K420 PolarHBondContact OE1-NZ 2.69Å; E417-K420 WeakPolarHBondContact OE2-CD 3.18Å; E417-K420 WeakPolarHBondContact OE2-CE 3.48Å; E417-K420 IonicContact OE2-NZ 2.77Å; E417-K420 PolarHBondContact OE2-NZ 3.08Å; E417-A421 PolarHBondContact O-N 2.93Å; E417-A421 VanDerWaalsContact O-N 3.09Å
418V93.5Very high90.6Very high1 Ų139.7 Ų39.71%0.00621%0.214CC..Hα-helixtrans-65.9-37.5171.7165.30000110.8A378 I383 V386 A410 H415 C416 A421 L422A378-V418 HydrophobicContact CB-CG1 3.96Å; I383-V418 HydrophobicContact CG1-CG2 3.98Å; V386-V418 HydrophobicContact CG1-CG1 4.46Å; V386-V418 HydrophobicContact CG2-CG1 4.04Å; V386-V418 HydrophobicContact CG2-CG2 4.25Å; A410-V418 HydrophobicContact CB-CG1 4.03Å; H415-V418 HydrophobicContact CB-CB 4.11Å; H415-V418 HydrophobicContact CB-CG2 4.41Å; H415-V418 WeakPolarHBondContact O-CB 3.17Å; H415-V418 PolarHBondContact O-N 3.27Å; H415-V418 VanDerWaalsContact O-N 3.14Å; C416-V418 VanDerWaalsContact C-N 3.34Å; C416-V418 PolarHBondContact O-N 3.4Å; V418-A421 PolarHBondContact O-N 3.01Å; V418-L422 HydrophobicContact CG1-CD1 3.75Å; V418-L422 HydrophobicContact CG1-CG 4.26Å; V418-L422 WeakPolarHBondContact O-CB 3.24Å; V418-L422 VanDerWaalsContact O-CG 3.32Å; V418-L422 WeakPolarHBondContact O-CG 3.25Å; V418-L422 PolarHBondContact O-N 2.93Å
419A92.7Very high90.6Very high0 Ų040.6 Ų40.60%022%0.22CC..Hα-helixtrans-63.3-42.5174.800000112L407 H415 C416 E417 A421 L422 I423 F452 L455L407-A419 HydrophobicContact CD1-CB 3.81Å; H415-A419 PolarHBondContact O-N 3.05Å; H415-A419 VanDerWaalsContact O-N 3.11Å; C416-A419 WeakPolarHBondContact O-CB 3.47Å; C416-A419 PolarHBondContact O-N 3.12Å; C416-A419 VanDerWaalsContact O-N 3.11Å; E417-A419 VanDerWaalsContact C-N 3.32Å; A419-A421 VanDerWaalsContact C-N 3.35Å; A419-A421 PolarHBondContact O-N 3.22Å; A419-L422 PolarHBondContact O-N 2.85Å; A419-I423 WeakPolarHBondContact O-CB 3.39Å; A419-I423 VanDerWaalsContact O-CG1 3.27Å; A419-I423 WeakPolarHBondContact O-CG1 2.93Å; A419-I423 PolarHBondContact O-N 3.13Å; A419-F452 HydrophobicContact CB-CD2 4.44Å; A419-F452 HydrophobicContact CB-CE1 4.29Å; A419-F452 HydrophobicContact CB-CE2 3.55Å; A419-F452 HydrophobicContact CB-CZ 3.45Å; A419-F452 VanDerWaalsContact CB-CZ 3.45Å; A419-L455 HydrophobicContact CB-CD1 4.28Å; A419-L455 HydrophobicContact CB-CD2 3.85Å
420K93.6Very high90.3Very high91 Ų9141.2 Ų41.240%0.39622%0.224SC..Hα-helixtrans-58-46.4173.1-60.5179.6-160.2160.80111.4C416 E417 K424 L455C416-K420 PolarHBondContact O-N 3.11Å; E417-K420 PolarHBondContact O-N 2.72Å; E417-K420 IonicContact OE1-NZ 2.67Å; E417-K420 PolarHBondContact OE1-NZ 2.69Å; E417-K420 WeakPolarHBondContact OE2-CD 3.18Å; E417-K420 WeakPolarHBondContact OE2-CE 3.48Å; E417-K420 IonicContact OE2-NZ 2.77Å; E417-K420 PolarHBondContact OE2-NZ 3.08Å; K420-K424 WeakPolarHBondContact O-CB 3.41Å; K420-K424 PolarHBondContact O-N 2.88Å; K420-L455 HydrophobicContact CG-CD1 3.77Å
421A92.1Very high89.8Confident10 Ų1041.6 Ų41.68%0.08323%0.225CC..Hα-helixtrans-62.3-44.5178.300000112.4V386 E387 E417 V418 A419 A425V386-A421 HydrophobicContact CG1-CB 4.01Å; E387-A421 HydrophobicContact CG-CB 4.34Å; E417-A421 PolarHBondContact O-N 2.93Å; E417-A421 VanDerWaalsContact O-N 3.09Å; V418-A421 PolarHBondContact O-N 3.01Å; A419-A421 VanDerWaalsContact C-N 3.35Å; A419-A421 PolarHBondContact O-N 3.22Å; A421-A425 WeakPolarHBondContact O-CB 3.35Å; A421-A425 PolarHBondContact O-N 3.49Å
422L92.3Very high89.4Confident0 Ų042 Ų420%023%0.228CC..Hα-helixtrans-64.2-48.5177.3-74168.8000112.4L374 V386 L390 P396 P406 L407 V418 A419 A425 G426 A427L374-L422 HydrophobicContact CD1-CD2 4.27Å; L374-L422 HydrophobicContact CD2-CD2 4.04Å; L374-L422 HydrophobicContact CG-CD2 4.24Å; V386-L422 HydrophobicContact CG1-CD2 4.34Å; V386-L422 HydrophobicContact CG1-CG 4.32Å; L390-L422 HydrophobicContact CD1-CD2 4.28Å; L390-L422 HydrophobicContact CD2-CD2 4.38Å; P396-L422 HydrophobicContact CB-CD2 4.17Å; P406-L422 HydrophobicContact CB-CD1 3.91Å; P406-L422 HydrophobicContact CB-CD2 3.98Å; L407-L422 HydrophobicContact CB-CD1 4.36Å; L407-L422 HydrophobicContact CD1-CD1 4.42Å; V418-L422 HydrophobicContact CG1-CD1 3.75Å; V418-L422 HydrophobicContact CG1-CG 4.26Å; V418-L422 WeakPolarHBondContact O-CB 3.24Å; V418-L422 VanDerWaalsContact O-CG 3.32Å; V418-L422 WeakPolarHBondContact O-CG 3.25Å; V418-L422 PolarHBondContact O-N 2.93Å; A419-L422 PolarHBondContact O-N 2.85Å; L422-A425 CarbonylContact O-C 3.53Å; L422-A425 PolarHBondContact O-N 3.13Å; L422-A425 VanDerWaalsContact O-N 3.16Å; L422-G426 PolarHBondContact O-N 3.46Å; L422-A427 HydrophobicContact CB-CB 4Å; L422-A427 VanDerWaalsContact O-CB 3.24Å; L422-A427 WeakPolarHBondContact O-CB 3.32Å; L422-A427 PolarHBondContact O-N 3.47Å
423I91.9Very high88.9Confident24 Ų2439.8 Ų39.812%0.12322%0.217CC..Hα-helixtrans-66.4-41.9-179-64.3166.6000110.5L407 A419 A425 G426 A427 L455 L456 H459L407-I423 HydrophobicContact CD1-CD1 4.32Å; L407-I423 HydrophobicContact CD1-CG1 4.24Å; L407-I423 HydrophobicContact CD2-CG1 4.29Å; A419-I423 WeakPolarHBondContact O-CB 3.39Å; A419-I423 VanDerWaalsContact O-CG1 3.27Å; A419-I423 WeakPolarHBondContact O-CG1 2.93Å; A419-I423 PolarHBondContact O-N 3.13Å; I423-A425 PolarHBondContact O-N 2.97Å; I423-G426 PolarHBondContact O-N 3.12Å; I423-A427 HydrophobicContact CG1-CB 4.32Å; I423-L455 HydrophobicContact CD1-CD2 3.71Å; I423-L456 HydrophobicContact CD1-CD2 4.43Å; I423-H459 HydrophobicContact CD1-CB 4.31Å; I423-H459 HydrophobicContact CG2-CB 4.12Å
424K91.1Very high88.2Confident182 Ų18235.3 Ų35.379%0.79120%0.202SC*.Hα-helixtrans-59.4-27.2173.4-176-178.9175.5-170.10113.2K420K420-K424 WeakPolarHBondContact O-CB 3.41Å; K420-K424 PolarHBondContact O-N 2.88Å
425A85.8Confident87.4Confident49 Ų4939 Ų3941%0.40522%0.222SC..THydrogen-bonded Turntrans-89.74.8174.300000114.4L390 A421 L422 I423L390-A425 HydrophobicContact CB-CB 4.29Å; L390-A425 HydrophobicContact CD1-CB 3.78Å; L390-A425 HydrophobicContact CD2-CB 3.85Å; L390-A425 HydrophobicContact CG-CB 4.18Å; A421-A425 WeakPolarHBondContact O-CB 3.35Å; A421-A425 PolarHBondContact O-N 3.49Å; L422-A425 CarbonylContact O-C 3.53Å; L422-A425 PolarHBondContact O-N 3.13Å; L422-A425 VanDerWaalsContact O-N 3.16Å; I423-A425 PolarHBondContact O-N 2.97Å
426G84.1Confident86.4Confident44 Ų4439.7 Ų39.745%0.45423%0.228SC..THydrogen-bonded Turntrans96.625.5177.800000115.5N397 L422 I423 T428N397-G426 PolarHBondContact ND2-O 2.59Å; L422-G426 PolarHBondContact O-N 3.46Å; I423-G426 PolarHBondContact O-N 3.12Å; G426-T428 PolarHBondContact O-N 3.06Å
427A86.2Confident85.8Confident8 Ų840.1 Ų40.17%0.06623%0.228CC..  trans-62.9125167.800000110.6P396 N397 L407 L422 I423 V429P396-A427 HydrophobicContact CB-CB 4.03Å; N397-A427 WeakPolarHBondContact OD1-CA 3.11Å; L407-A427 HydrophobicContact CD2-CB 4.22Å; L422-A427 HydrophobicContact CB-CB 4Å; L422-A427 VanDerWaalsContact O-CB 3.24Å; L422-A427 WeakPolarHBondContact O-CB 3.32Å; L422-A427 PolarHBondContact O-N 3.47Å; I423-A427 HydrophobicContact CG1-CB 4.32Å; A427-V429 PolarHBondContact O-N 3.26Å
428T85.5Confident85.3Confident64 Ų6435.9 Ų35.939%0.39321%0.209SC..  trans-75.9119.3173.2-57.90000108.8N397 G426 I431N397-T428 PolarHBondContact OD1-N 2.94Å; G426-T428 PolarHBondContact O-N 3.06Å; T428-I431 HydrophobicContact CG2-CG1 3.98Å
429V89.3Confident85.1Confident19 Ų1935.9 Ų35.912%0.11521%0.208CC..THydrogen-bonded Turntrans-67.4-42.2-168.6-1570000112.1L407 A427 I431 P440 L456 A461L407-V429 HydrophobicContact CD2-CG1 4.49Å; A427-V429 PolarHBondContact O-N 3.26Å; V429-I431 PolarHBondContact O-N 3.03Å; V429-P440 WeakPolarHBondContact O-CD 3.01Å; V429-P440 WeakPolarHBondContact O-CG 3.45Å; V429-L456 HydrophobicContact CG1-CB 4.26Å; V429-L456 HydrophobicContact CG1-CD2 3.42Å; V429-L456 VanDerWaalsContact CG1-CD2 3.42Å; V429-L456 HydrophobicContact CG1-CG 4.42Å; V429-A461 HydrophobicContact CB-CB 4.45Å; V429-A461 HydrophobicContact CG1-CB 3.73Å
430D86.4Confident84.9Confident33 Ų3335.9 Ų35.918%0.17621%0.208CC..THydrogen-bonded Turntrans-96.949.6-179.5-62.3-34000113.4P432 A461 N462 R548D430-P432 WeakPolarHBondContact O-CD 3.46Å; D430-A461 WeakPolarHBondContact OD1-CA 3.44Å; D430-N462 PolarHBondContact OD1-N 2.82Å; D430-N462 VanDerWaalsContact OD2-CB 3.26Å; D430-N462 WeakPolarHBondContact OD2-CB 3.15Å; D430-N462 PolarHBondContact OD2-N 3.49Å; D430-R548 PolarHBondContact O-NH1 3.27Å
431I82.7Confident84.8Confident7 Ų731.6 Ų31.64%0.03619%0.19CC..  trans-79.9123.7164-71.6173.6000108.5N397 R399 T405 H408 T428 V429 P440N397-I431 HydrophobicContact CB-CD1 3.81Å; N397-I431 WeakPolarHBondContact OD1-CD1 3.3Å; R399-I431 VanDerWaalsContact CZ-CG2 3.49Å; R399-I431 VanDerWaalsContact NH2-CG2 3.31Å; T405-I431 HydrophobicContact CG2-CB 4.32Å; T405-I431 HydrophobicContact CG2-CD1 3.99Å; T405-I431 HydrophobicContact CG2-CG2 3.74Å; H408-I431 PolarHBondContact CE1-O 3.43Å; H408-I431 PolarHBondContact NE2-O 3.15Å; H408-I431 VanDerWaalsContact NE2-O 3.12Å; T428-I431 HydrophobicContact CG2-CG1 3.98Å; V429-I431 PolarHBondContact O-N 3.03Å; I431-P440 VanDerWaalsContact O-CD 3.32Å; I431-P440 WeakPolarHBondContact O-CD 3.48Å
432P84.4Confident84.7Confident10 Ų1031.1 Ų31.17%0.06519%0.186CC..  trans-77.6136.6165.830.2-33.1000110.6R399 D430 L437 E438 F465R399-P432 PolarHBondContact NH1-O 2.93Å; D430-P432 WeakPolarHBondContact O-CD 3.46Å; P432-L437 HydrophobicContact CB-CB 4.21Å; P432-L437 WeakPolarHBondContact CB-O 3.31Å; P432-E438 CarbonylContact C-O 3.54Å; P432-E438 WeakPolarHBondContact CA-O 3.38Å; P432-F465 HydrophobicContact CB-CE1 4.24Å; P432-F465 HydrophobicContact CB-CZ 4.48Å; P432-F465 HydrophobicContact CG-CE1 4.46Å; P432-F465 HydrophobicContact CG-CZ 4.21Å
433G77.8Confident84.6Confident1 Ų131.7 Ų31.71%0.0119%0.189CC..BIsolated β-bridgetrans-138.8178.3-179.500000113.2G403 H408 L437 E438G403-G433 WeakPolarHBondContact O-CA 3.37Å; H408-G433 PolarHBondContact NE2-N 3.13Å; G433-L437 CarbonylContact O-C 3.57Å; G433-L437 WeakPolarHBondContact O-CA 3.43Å; G433-L437 PolarHBondContact O-N 3.43Å; G433-E438 PolarHBondContact N-O 3.42Å; G433-E438 PolarHBondContact O-N 3.43Å
434G75.6Confident84.5Confident7 Ų730.5 Ų30.57%0.07218%0.183CC..THydrogen-bonded Turntrans68.7-176.9-178.800000115.6A402 W404 D436A402-G434 CarbonylContact O-C 3.56Å; A402-G434 WeakPolarHBondContact O-CA 3.44Å; A402-G434 PolarHBondContact O-N 3.1Å; W404-G434 VanDerWaalsContact NE1-CA 3.27Å; G434-D436 VanDerWaalsContact C-N 3.34Å
435P70.9Confident84.4Confident95 Ų9521.9 Ų21.962%0.61715%0.145SC*.THydrogen-bonded Turntrans-72.6-26.9179.629.5-34.2000113.2
436D74Confident84.4Confident70 Ų7024.6 Ų24.637%0.37415%0.15SC..THydrogen-bonded Turntrans-100.95.8-177.1-70.6-78.9000113.3G434 E438 N468 N469G434-D436 VanDerWaalsContact C-N 3.34Å; D436-E438 HydrophobicContact CB-CG 4.15Å; D436-E438 PolarHBondContact O-N 3.35Å; D436-N468 VanDerWaalsContact C-CB 3.48Å; D436-N468 WeakPolarHBondContact O-CB 3.42Å; D436-N468 PolarHBondContact O-N 3.46Å; D436-N469 PolarHBondContact OD1-ND2 2.8Å
437L79.1Confident84.4Confident32 Ų3225.5 Ų25.517%0.16814%0.144CC..THydrogen-bonded Turntrans56.234.8175.2-48178.6000113.6P432 G433 N468 L549P432-L437 HydrophobicContact CB-CB 4.21Å; P432-L437 WeakPolarHBondContact CB-O 3.31Å; G433-L437 CarbonylContact O-C 3.57Å; G433-L437 WeakPolarHBondContact O-CA 3.43Å; G433-L437 PolarHBondContact O-N 3.43Å; L437-N468 HydrophobicContact CB-CB 3.89Å; L437-N468 HydrophobicContact CD1-CB 3.87Å; L437-N468 HydrophobicContact CG-CB 3.83Å; L437-L549 HydrophobicContact CD1-CD1 3.54Å; L437-L549 HydrophobicContact CD1-CD2 3.56Å; L437-L549 HydrophobicContact CD1-CG 4.17Å; L437-L549 HydrophobicContact CD2-CD2 3.47Å; L437-L549 VanDerWaalsContact CD2-CD2 3.47Å; L437-L549 HydrophobicContact CG-CD2 4.13Å
438E82.6Confident84.3Confident7 Ų725.7 Ų25.73%0.03315%0.146CC..BIsolated β-bridgetrans-62143171.7-59.5-83.3113.700109.3H408 P432 G433 D436 H442 E443 Q446 N467H408-E438 PolarHBondContact NE2-O 3.25Å; P432-E438 CarbonylContact C-O 3.54Å; P432-E438 WeakPolarHBondContact CA-O 3.38Å; G433-E438 PolarHBondContact N-O 3.42Å; G433-E438 PolarHBondContact O-N 3.43Å; D436-E438 HydrophobicContact CB-CG 4.15Å; D436-E438 PolarHBondContact O-N 3.35Å; E438-H442 HydrophobicContact CB-CB 4Å; E438-H442 HydrophobicContact CG-CB 4.49Å; E438-H442 WeakPolarHBondContact OE2-CB 3.06Å; E438-E443 HydrophobicContact CB-CG 4.15Å; E438-E443 WeakPolarHBondContact CB-OE1 3.3Å; E438-E443 WeakPolarHBondContact CG-OE1 3.44Å; E438-Q446 PolarHBondContact OE2-NE2 3.01Å; E438-N467 WeakPolarHBondContact OE1-CB 3.32Å; E438-N467 PolarHBondContact OE1-ND2 2.71Å
439T88.5Confident84.5Confident0 Ų025.4 Ų25.40%014%0.14CC..  trans-90.7165.7165.868.80000109.9L441 H442 E443 F465T439-L441 PolarHBondContact O-N 2.96Å; T439-H442 PolarHBondContact N-ND1 3.44Å; T439-H442 WeakPolarHBondContact O-CB 3.24Å; T439-H442 PolarHBondContact O-N 3.31Å; T439-H442 PolarHBondContact OG1-ND1 2.94Å; T439-E443 PolarHBondContact O-N 3.33Å; T439-E443 VanDerWaalsContact O-N 3.13Å; T439-F465 HydrophobicContact CG2-CD1 3.47Å; T439-F465 VanDerWaalsContact CG2-CD1 3.47Å; T439-F465 HydrophobicContact CG2-CE1 3.81Å; T439-F465 HydrophobicContact CG2-CG 4.02Å
440P89.7Confident84.4Confident0 Ų026.3 Ų26.30%015%0.146CC..Hα-helixtrans-52.1-28.7174.1-28.835.9000114L407 A411 V429 I431 A444 L456L407-P440 HydrophobicContact CB-CG 4.42Å; L407-P440 HydrophobicContact CD2-CB 4.44Å; L407-P440 HydrophobicContact CD2-CG 4.09Å; L407-P440 HydrophobicContact CG-CB 4.16Å; L407-P440 HydrophobicContact CG-CG 4.04Å; A411-P440 HydrophobicContact CB-CB 4.1Å; A411-P440 WeakPolarHBondContact CB-O 3.47Å; V429-P440 WeakPolarHBondContact O-CD 3.01Å; V429-P440 WeakPolarHBondContact O-CG 3.45Å; I431-P440 VanDerWaalsContact O-CD 3.32Å; I431-P440 WeakPolarHBondContact O-CD 3.48Å; P440-A444 VanDerWaalsContact O-CB 3.32Å; P440-A444 WeakPolarHBondContact O-CB 3.22Å; P440-A444 PolarHBondContact O-N 3.26Å; P440-L456 HydrophobicContact CB-CD1 4.07Å; P440-L456 HydrophobicContact CB-CD2 4.25Å
441L91.7Very high84.5Confident1 Ų130.9 Ų30.91%0.00517%0.171CC..Hα-helixtrans-68.3-40.8174.7-176.260.6000112.1T439 I445 C453 L456 L457 A461 P473 L511T439-L441 PolarHBondContact O-N 2.96Å; L441-I445 HydrophobicContact CD1-CD1 4.43Å; L441-I445 HydrophobicContact CG-CD1 4.14Å; L441-I445 WeakPolarHBondContact O-CB 3.4Å; L441-I445 VanDerWaalsContact O-CD1 3.28Å; L441-I445 WeakPolarHBondContact O-CD1 3.34Å; L441-I445 WeakPolarHBondContact O-CG1 3.28Å; L441-I445 PolarHBondContact O-N 3.44Å; L441-C453 HydrophobicContact CD1-CB 4.14Å; L441-L456 HydrophobicContact CB-CD1 4.06Å; L441-L456 HydrophobicContact CD1-CB 4.46Å; L441-L456 HydrophobicContact CD1-CD1 4.23Å; L441-L457 HydrophobicContact CD1-CG 4.44Å; L441-L457 HydrophobicContact CD2-CD2 4.05Å; L441-A461 HydrophobicContact CD2-CB 4.42Å; L441-P473 HydrophobicContact CD2-CB 4.33Å; L441-P473 HydrophobicContact CD2-CG 4.2Å; L441-L511 HydrophobicContact CD2-CD2 4.19Å
442H89Confident85Confident0 Ų030.6 Ų30.60%017%0.169CC..Hα-helixtrans-65.1-44.2174.7-63.373.5000111.2E438 T439 A444 I445 Q446 F465 N467 I471 L476E438-H442 HydrophobicContact CB-CB 4Å; E438-H442 HydrophobicContact CG-CB 4.49Å; E438-H442 WeakPolarHBondContact OE2-CB 3.06Å; T439-H442 PolarHBondContact N-ND1 3.44Å; T439-H442 WeakPolarHBondContact O-CB 3.24Å; T439-H442 PolarHBondContact O-N 3.31Å; T439-H442 PolarHBondContact OG1-ND1 2.94Å; H442-A444 PolarHBondContact O-N 3Å; H442-I445 WeakPolarHBondContact O-CB 3.2Å; H442-I445 PolarHBondContact O-N 3.47Å; H442-I445 VanDerWaalsContact O-N 3.14Å; H442-Q446 WeakPolarHBondContact O-CG 3.46Å; H442-Q446 PolarHBondContact O-N 2.96Å; H442-F465 PolarHBondContact CE1-O 3.18Å; H442-F465 PolarHBondContact NE2-O 3.25Å; H442-N467 PolarHBondContact NE2-N 3.21Å; H442-I471 PolarHBondContact NE2-O 3.06Å; H442-L476 HydrophobicContact CB-CD2 3.9Å
443E89.6Confident85.3Confident12 Ų1230.1 Ų30.16%0.05617%0.166CC..Hα-helixtrans-62.6-41.7177.9-70-62.1154.800112.5W404 A411 L412 E438 T439 I445 Q446 N447W404-E443 HydrophobicContact CH2-CG 4.14Å; W404-E443 WeakPolarHBondContact CH2-OE1 3.29Å; W404-E443 WeakPolarHBondContact CH2-OE2 3.24Å; W404-E443 VanDerWaalsContact CZ3-CD 3.46Å; W404-E443 HydrophobicContact CZ3-CG 3.81Å; A411-E443 HydrophobicContact CB-CB 4.21Å; L412-E443 VanDerWaalsContact CD1-OE2 3.3Å; L412-E443 WeakPolarHBondContact CD1-OE2 3.44Å; E438-E443 HydrophobicContact CB-CG 4.15Å; E438-E443 WeakPolarHBondContact CB-OE1 3.3Å; E438-E443 WeakPolarHBondContact CG-OE1 3.44Å; T439-E443 PolarHBondContact O-N 3.33Å; T439-E443 VanDerWaalsContact O-N 3.13Å; E443-I445 VanDerWaalsContact C-N 3.32Å; E443-I445 PolarHBondContact O-N 2.95Å; E443-Q446 PolarHBondContact O-N 3.21Å; E443-N447 PolarHBondContact O-N 3.1Å; E443-N447 PolarHBondContact O-ND2 3.5Å
444A89.9Confident85.9Confident0 Ų034.1 Ų34.10%018%0.184CC..Hα-helixtrans-63.9-37.3173.800000111.9A411 P440 H442 N447 G448 Q449 F452 C453 L456A411-A444 HydrophobicContact CB-CB 4.26Å; P440-A444 VanDerWaalsContact O-CB 3.32Å; P440-A444 WeakPolarHBondContact O-CB 3.22Å; P440-A444 PolarHBondContact O-N 3.26Å; H442-A444 PolarHBondContact O-N 3Å; A444-N447 PolarHBondContact O-N 3.44Å; A444-G448 PolarHBondContact O-N 3.36Å; A444-G448 VanDerWaalsContact O-N 3.1Å; A444-Q449 HydrophobicContact CB-CB 4.26Å; A444-Q449 PolarHBondContact O-N 3.07Å; A444-F452 HydrophobicContact CB-CB 4.34Å; A444-F452 HydrophobicContact CB-CD1 3.92Å; A444-F452 HydrophobicContact CB-CG 4.45Å; A444-C453 WeakPolarHBondContact CB-SG 3.14Å; A444-L456 HydrophobicContact CB-CD1 4.37Å
445I89.8Confident86.7Confident1 Ų134.4 Ų34.41%0.00518%0.184CC..Hα-helixtrans-64-50.1173.5-70.9161.4000111.5L441 H442 E443 N447 G448 P473 L476 V477 L504 I507 L511L441-I445 HydrophobicContact CD1-CD1 4.43Å; L441-I445 HydrophobicContact CG-CD1 4.14Å; L441-I445 WeakPolarHBondContact O-CB 3.4Å; L441-I445 VanDerWaalsContact O-CD1 3.28Å; L441-I445 WeakPolarHBondContact O-CD1 3.34Å; L441-I445 WeakPolarHBondContact O-CG1 3.28Å; L441-I445 PolarHBondContact O-N 3.44Å; H442-I445 WeakPolarHBondContact O-CB 3.2Å; H442-I445 PolarHBondContact O-N 3.47Å; H442-I445 VanDerWaalsContact O-N 3.14Å; E443-I445 VanDerWaalsContact C-N 3.32Å; E443-I445 PolarHBondContact O-N 2.95Å; I445-N447 PolarHBondContact O-N 3.06Å; I445-N447 VanDerWaalsContact O-N 3.16Å; I445-G448 PolarHBondContact O-N 2.95Å; I445-P473 HydrophobicContact CD1-CB 3.64Å; I445-L476 HydrophobicContact CB-CD2 4.22Å; I445-L476 HydrophobicContact CG2-CB 4.43Å; I445-L476 HydrophobicContact CG2-CD2 3.88Å; I445-L476 HydrophobicContact CG2-CG 4.15Å; I445-V477 HydrophobicContact CD1-CG2 4.28Å; I445-V477 HydrophobicContact CG1-CG2 4.25Å; I445-V477 HydrophobicContact CG2-CG2 3.53Å; I445-L504 HydrophobicContact CG2-CD2 4.25Å; I445-I507 HydrophobicContact CG1-CG2 3.91Å; I445-L511 HydrophobicContact CD1-CD1 3.81Å; I445-L511 HydrophobicContact CG1-CD1 4.48Å
446Q85.4Confident87.6Confident106 Ų10629.9 Ų29.950%0.49516%0.155SC..Hα-helixtrans-57.2-33.1-179.6-69.6-152.735.100112.3E438 H442 E443 L476E438-Q446 PolarHBondContact OE2-NE2 3.01Å; H442-Q446 WeakPolarHBondContact O-CG 3.46Å; H442-Q446 PolarHBondContact O-N 2.96Å; E443-Q446 PolarHBondContact O-N 3.21Å; Q446-L476 HydrophobicContact CG-CD2 3.98Å
447N85.1Confident88.3Confident63 Ų6327.8 Ų27.834%0.33714%0.143SC..THydrogen-bonded Turntrans-95.92.9-179-66-84.5000113.8E443 A444 I445 Q449E443-N447 PolarHBondContact O-N 3.1Å; E443-N447 PolarHBondContact O-ND2 3.5Å; A444-N447 PolarHBondContact O-N 3.44Å; I445-N447 PolarHBondContact O-N 3.06Å; I445-N447 VanDerWaalsContact O-N 3.16Å; N447-Q449 HydrophobicContact CB-CG 3.94Å; N447-Q449 PolarHBondContact O-N 3.38Å
448G84.1Confident88.8Confident11 Ų1131.4 Ų31.411%0.11316%0.163CC..THydrogen-bonded Turntrans69.526176.300000115.2A444 I445 V450A444-G448 PolarHBondContact O-N 3.36Å; A444-G448 VanDerWaalsContact O-N 3.1Å; I445-G448 PolarHBondContact O-N 2.95Å; G448-V450 PolarHBondContact O-N 3.09Å; G448-V450 VanDerWaalsContact O-N 3.09Å
449Q88.1Confident89Confident58 Ų5835.7 Ų35.727%0.27118%0.183SC..  trans-85.876.3-170.6-58.4-69.5-2.300111.8G414 A444 N447 D451 F452 C453G414-Q449 VanDerWaalsContact CA-CD 3.44Å; A444-Q449 HydrophobicContact CB-CB 4.26Å; A444-Q449 PolarHBondContact O-N 3.07Å; N447-Q449 HydrophobicContact CB-CG 3.94Å; N447-Q449 PolarHBondContact O-N 3.38Å; Q449-D451 PolarHBondContact O-N 2.93Å; Q449-F452 HydrophobicContact CB-CB 3.8Å; Q449-F452 WeakPolarHBondContact O-CB 3.16Å; Q449-F452 PolarHBondContact O-N 3.27Å; Q449-F452 VanDerWaalsContact O-N 3.14Å; Q449-C453 PolarHBondContact O-N 3.47Å; Q449-C453 PolarHBondContact O-SG 3Å; Q449-C453 VanDerWaalsContact O-SG 3.39Å
450V88.1Confident88.7Confident39 Ų3938.3 Ų38.324%0.23621%0.21CC..Hα-helixtrans-52.7-53.8-173.3-167.50000112.8G448 F452 C453 Q454 A503 D506 I507G448-V450 PolarHBondContact O-N 3.09Å; G448-V450 VanDerWaalsContact O-N 3.09Å; V450-F452 PolarHBondContact O-N 2.9Å; V450-C453 WeakPolarHBondContact O-CB 3.38Å; V450-C453 PolarHBondContact O-N 3.2Å; V450-C453 VanDerWaalsContact O-N 3.15Å; V450-Q454 PolarHBondContact O-N 3.43Å; V450-A503 HydrophobicContact CG2-CB 3.59Å; V450-D506 HydrophobicContact CG1-CB 4.19Å; V450-I507 HydrophobicContact CB-CG1 4.26Å; V450-I507 HydrophobicContact CG1-CG1 4.15Å; V450-I507 HydrophobicContact CG2-CD1 4.08Å; V450-I507 HydrophobicContact CG2-CG1 4.07Å
451D89.4Confident88.5Confident129 Ų12938.6 Ų38.669%0.6921%0.213SC*.Hα-helixtrans-60.4-35.4-178.6-57.6-36.6000112.3Q449 L455Q449-D451 PolarHBondContact O-N 2.93Å; D451-L455 VanDerWaalsContact O-CB 3.3Å; D451-L455 WeakPolarHBondContact O-CB 3.46Å; D451-L455 PolarHBondContact O-N 2.88Å
452F91.9Very high88.1Confident1 Ų141.7 Ų41.70%0.00423%0.229CC..Hα-helixtrans-72.3-40.8178.6-156.6-73.2000111L407 A410 A411 A419 A444 Q449 V450 L455 L456L407-F452 HydrophobicContact CD1-CZ 4.17Å; A410-F452 VanDerWaalsContact C-CE2 3.43Å; A410-F452 HydrophobicContact CB-CE2 3.9Å; A410-F452 HydrophobicContact CB-CZ 3.88Å; A410-F452 WeakPolarHBondContact O-CE2 3.47Å; A411-F452 VanDerWaalsContact CA-CE1 3.43Å; A411-F452 HydrophobicContact CB-CD1 3.93Å; A411-F452 HydrophobicContact CB-CE1 3.39Å; A411-F452 HydrophobicContact CB-CZ 3.73Å; A411-F452 VanDerWaalsContact N-CZ 3.25Å; A419-F452 HydrophobicContact CB-CD2 4.44Å; A419-F452 HydrophobicContact CB-CE1 4.29Å; A419-F452 HydrophobicContact CB-CE2 3.55Å; A419-F452 HydrophobicContact CB-CZ 3.45Å; A419-F452 VanDerWaalsContact CB-CZ 3.45Å; A444-F452 HydrophobicContact CB-CB 4.34Å; A444-F452 HydrophobicContact CB-CD1 3.92Å; A444-F452 HydrophobicContact CB-CG 4.45Å; Q449-F452 HydrophobicContact CB-CB 3.8Å; Q449-F452 WeakPolarHBondContact O-CB 3.16Å; Q449-F452 PolarHBondContact O-N 3.27Å; Q449-F452 VanDerWaalsContact O-N 3.14Å; V450-F452 PolarHBondContact O-N 2.9Å; F452-L455 PolarHBondContact O-N 3.5Å; F452-L456 HydrophobicContact CD1-CD1 3.67Å; F452-L456 HydrophobicContact CD1-CD2 4.43Å; F452-L456 HydrophobicContact CD1-CG 3.83Å; F452-L456 HydrophobicContact CE1-CD1 3.76Å; F452-L456 HydrophobicContact CE1-CD2 3.92Å; F452-L456 HydrophobicContact CE1-CG 3.82Å; F452-L456 VanDerWaalsContact O-CG 3.31Å; F452-L456 WeakPolarHBondContact O-CG 3.34Å; F452-L456 PolarHBondContact O-N 3.13Å
453C90.8Very high87.9Confident0 Ų041.9 Ų41.90%023%0.23CC..Hα-helixtrans-62.4-42.5174.1-690000111.8L441 A444 Q449 V450 L456 L457 I507 M510L441-C453 HydrophobicContact CD1-CB 4.14Å; A444-C453 WeakPolarHBondContact CB-SG 3.14Å; Q449-C453 PolarHBondContact O-N 3.47Å; Q449-C453 PolarHBondContact O-SG 3Å; Q449-C453 VanDerWaalsContact O-SG 3.39Å; V450-C453 WeakPolarHBondContact O-CB 3.38Å; V450-C453 PolarHBondContact O-N 3.2Å; V450-C453 VanDerWaalsContact O-N 3.15Å; C453-L456 PolarHBondContact O-N 3.4Å; C453-L457 VanDerWaalsContact O-CG 3.31Å; C453-L457 WeakPolarHBondContact O-CG 3.35Å; C453-L457 PolarHBondContact O-N 3.49Å; C453-L457 VanDerWaalsContact O-N 3.15Å; C453-I507 HydrophobicContact CB-CG1 4.4Å; C453-M510 HydrophobicContact CB-CE 3.31Å
454Q90.5Very high87.6Confident84 Ų8444.7 Ų44.739%0.39324%0.244SC..Hα-helixtrans-60.6-49.8174.2-1776772.800110.7V450 L456 L457 D458 M510V450-Q454 PolarHBondContact O-N 3.43Å; Q454-L456 VanDerWaalsContact C-N 3.32Å; Q454-L456 PolarHBondContact O-N 3.43Å; Q454-L457 PolarHBondContact O-N 2.95Å; Q454-L457 VanDerWaalsContact O-N 3.13Å; Q454-D458 PolarHBondContact NE2-OD1 3.32Å; Q454-D458 PolarHBondContact O-N 2.99Å; Q454-M510 VanDerWaalsContact CA-SD 3.51Å; Q454-M510 HydrophobicContact CB-SD 3.59Å; Q454-M510 VanDerWaalsContact CB-SD 3.59Å; Q454-M510 HydrophobicContact CG-SD 4.2Å; Q454-M510 PolarHBondContact OE1-SD 2.83Å
455L91.8Very high87.1Confident13 Ų1347 Ų477%0.06825%0.254CS..Hα-helixtrans-55.4-43.5178.2179.9162.7000112.5C416 A419 K420 I423 D451 F452 H459C416-L455 HydrophobicContact CB-CD1 3.95Å; C416-L455 WeakPolarHBondContact O-CD1 3.42Å; A419-L455 HydrophobicContact CB-CD1 4.28Å; A419-L455 HydrophobicContact CB-CD2 3.85Å; K420-L455 HydrophobicContact CG-CD1 3.77Å; I423-L455 HydrophobicContact CD1-CD2 3.71Å; D451-L455 VanDerWaalsContact O-CB 3.3Å; D451-L455 WeakPolarHBondContact O-CB 3.46Å; D451-L455 PolarHBondContact O-N 2.88Å; F452-L455 PolarHBondContact O-N 3.5Å; L455-H459 PolarHBondContact O-N 3.19Å; L455-H459 PolarHBondContact O-ND1 3.5Å
456L90.6Very high86.8Confident0 Ų049.9 Ų49.90%027%0.273CS..Hα-helixtrans-64.3-44177.1-70.2172.8000112L407 I423 V429 P440 L441 A444 F452 C453 Q454 H459 G460 A461L407-L456 HydrophobicContact CD2-CD2 4.32Å; I423-L456 HydrophobicContact CD1-CD2 4.43Å; V429-L456 HydrophobicContact CG1-CB 4.26Å; V429-L456 HydrophobicContact CG1-CD2 3.42Å; V429-L456 VanDerWaalsContact CG1-CD2 3.42Å; V429-L456 HydrophobicContact CG1-CG 4.42Å; P440-L456 HydrophobicContact CB-CD1 4.07Å; P440-L456 HydrophobicContact CB-CD2 4.25Å; L441-L456 HydrophobicContact CB-CD1 4.06Å; L441-L456 HydrophobicContact CD1-CB 4.46Å; L441-L456 HydrophobicContact CD1-CD1 4.23Å; A444-L456 HydrophobicContact CB-CD1 4.37Å; F452-L456 HydrophobicContact CD1-CD1 3.67Å; F452-L456 HydrophobicContact CD1-CD2 4.43Å; F452-L456 HydrophobicContact CD1-CG 3.83Å; F452-L456 HydrophobicContact CE1-CD1 3.76Å; F452-L456 HydrophobicContact CE1-CD2 3.92Å; F452-L456 HydrophobicContact CE1-CG 3.82Å; F452-L456 VanDerWaalsContact O-CG 3.31Å; F452-L456 WeakPolarHBondContact O-CG 3.34Å; F452-L456 PolarHBondContact O-N 3.13Å; C453-L456 PolarHBondContact O-N 3.4Å; Q454-L456 VanDerWaalsContact C-N 3.32Å; Q454-L456 PolarHBondContact O-N 3.43Å; L456-H459 CarbonylContact O-C 3.56Å; L456-H459 PolarHBondContact O-N 3.18Å; L456-G460 PolarHBondContact O-N 2.94Å; L456-A461 HydrophobicContact CB-CB 3.93Å; L456-A461 WeakPolarHBondContact O-CB 3.21Å; L456-A461 PolarHBondContact O-N 3.32Å
457L89.1Confident86.5Confident26 Ų2645.4 Ų45.414%0.13625%0.253CS..Hα-helixtrans-66.3-40.6179-67.2168.9000111.8L441 C453 Q454 H459 G460 P463 M510 L511 A514L441-L457 HydrophobicContact CD1-CG 4.44Å; L441-L457 HydrophobicContact CD2-CD2 4.05Å; C453-L457 VanDerWaalsContact O-CG 3.31Å; C453-L457 WeakPolarHBondContact O-CG 3.35Å; C453-L457 PolarHBondContact O-N 3.49Å; C453-L457 VanDerWaalsContact O-N 3.15Å; Q454-L457 PolarHBondContact O-N 2.95Å; Q454-L457 VanDerWaalsContact O-N 3.13Å; L457-H459 PolarHBondContact O-N 2.7Å; L457-G460 PolarHBondContact O-N 3.14Å; L457-P463 HydrophobicContact CD2-CB 4.18Å; L457-M510 HydrophobicContact CD1-CE 3.87Å; L457-M510 HydrophobicContact CD1-CG 3.72Å; L457-M510 HydrophobicContact CD1-SD 4.02Å; L457-L511 HydrophobicContact CD1-CD2 4.08Å; L457-L511 HydrophobicContact CD2-CD2 4.26Å; L457-A514 HydrophobicContact CD1-CB 4.3Å; L457-A514 HydrophobicContact CD2-CB 4.12Å
458D88.4Confident86.2Confident109 Ų10946.9 Ų46.958%0.58326%0.261SS*.Hα-helixtrans-60.7-28175.1-67-16.8000112.6Q454Q454-D458 PolarHBondContact NE2-OD1 3.32Å; Q454-D458 PolarHBondContact O-N 2.99Å
459H87.5Confident85.7Confident96 Ų9651.1 Ų51.144%0.44428%0.281SS..THydrogen-bonded Turntrans-98.215.1177-64.672.8000113I423 L455 L456 L457I423-H459 HydrophobicContact CD1-CB 4.31Å; I423-H459 HydrophobicContact CG2-CB 4.12Å; L455-H459 PolarHBondContact O-N 3.19Å; L455-H459 PolarHBondContact O-ND1 3.5Å; L456-H459 CarbonylContact O-C 3.56Å; L456-H459 PolarHBondContact O-N 3.18Å; L457-H459 PolarHBondContact O-N 2.7Å
460G82.1Confident85.2Confident56 Ų5650.9 Ų50.958%0.57729%0.294SS*.THydrogen-bonded Turntrans89.318.9168.500000116.4L456 L457 N462L456-G460 PolarHBondContact O-N 2.94Å; L457-G460 PolarHBondContact O-N 3.14Å; G460-N462 PolarHBondContact O-N 3.25Å
461A85.9Confident84.8Confident6 Ų651 Ų515%0.0529%0.292CS..  trans-59.1132.917100000111.6V429 D430 L441 L456 P463V429-A461 HydrophobicContact CB-CB 4.45Å; V429-A461 HydrophobicContact CG1-CB 3.73Å; D430-A461 WeakPolarHBondContact OD1-CA 3.44Å; L441-A461 HydrophobicContact CD2-CB 4.42Å; L456-A461 HydrophobicContact CB-CB 3.93Å; L456-A461 WeakPolarHBondContact O-CB 3.21Å; L456-A461 PolarHBondContact O-N 3.32Å; A461-P463 VanDerWaalsContact O-CD 3.29Å; A461-P463 WeakPolarHBondContact O-CD 3.35Å
462N83.2Confident84.7Confident65 Ų6546.8 Ų46.835%0.34827%0.27SS..  trans-79.6112.3-177.6-174.3-19.9000111.5D430 G460 M464 F465D430-N462 PolarHBondContact OD1-N 2.82Å; D430-N462 VanDerWaalsContact OD2-CB 3.26Å; D430-N462 WeakPolarHBondContact OD2-CB 3.15Å; D430-N462 PolarHBondContact OD2-N 3.49Å; G460-N462 PolarHBondContact O-N 3.25Å; N462-M464 PolarHBondContact O-N 2.78Å; N462-M464 VanDerWaalsContact O-N 3.12Å; N462-M464 WeakPolarHBondContact OD1-CB 3.46Å; N462-M464 PolarHBondContact OD1-N 2.84Å; N462-F465 HydrophobicContact CB-CB 4.45Å; N462-F465 PolarHBondContact O-N 3.26Å
463P84.7Confident84.5Confident5 Ų546.8 Ų46.83%0.03227%0.269CS..THydrogen-bonded Turntrans-69.2-11.3-178.230.7-36.6000113.7L457 A461 I472 P473 L511 A514L457-P463 HydrophobicContact CD2-CB 4.18Å; A461-P463 VanDerWaalsContact O-CD 3.29Å; A461-P463 WeakPolarHBondContact O-CD 3.35Å; P463-I472 WeakPolarHBondContact O-CG2 3.35Å; P463-P473 WeakPolarHBondContact O-CD 3.49Å; P463-P473 WeakPolarHBondContact O-CG 3.49Å; P463-L511 HydrophobicContact CB-CD2 3.93Å; P463-A514 HydrophobicContact CB-CB 4.45Å; P463-A514 HydrophobicContact CG-CB 4.17Å
464M83.7Confident84.3Confident70 Ų7049 Ų4935%0.34528%0.281SS..THydrogen-bonded Turntrans-99.3-2.6-178.7-59.8-70.390.600114N462 P466 I472 I474 S515N462-M464 PolarHBondContact O-N 2.78Å; N462-M464 VanDerWaalsContact O-N 3.12Å; N462-M464 WeakPolarHBondContact OD1-CB 3.46Å; N462-M464 PolarHBondContact OD1-N 2.84Å; M464-P466 WeakPolarHBondContact O-CD 3.32Å; M464-I472 HydrophobicContact CE-CG2 3.88Å; M464-I474 HydrophobicContact CE-CG2 4.35Å; M464-S515 WeakPolarHBondContact CE-OG 3.26Å
465F80.1Confident84.1Confident48 Ų4849.1 Ų49.121%0.21128%0.282CS..  trans-66124.6-179.5-165.8-76.1000111P432 T439 H442 N462 P473P432-F465 HydrophobicContact CB-CE1 4.24Å; P432-F465 HydrophobicContact CB-CZ 4.48Å; P432-F465 HydrophobicContact CG-CE1 4.46Å; P432-F465 HydrophobicContact CG-CZ 4.21Å; T439-F465 HydrophobicContact CG2-CD1 3.47Å; T439-F465 VanDerWaalsContact CG2-CD1 3.47Å; T439-F465 HydrophobicContact CG2-CE1 3.81Å; T439-F465 HydrophobicContact CG2-CG 4.02Å; H442-F465 PolarHBondContact CE1-O 3.18Å; H442-F465 PolarHBondContact NE2-O 3.25Å; N462-F465 HydrophobicContact CB-CB 4.45Å; N462-F465 PolarHBondContact O-N 3.26Å; F465-P473 WeakPolarHBondContact O-CD 3.14Å
466P81.8Confident83.8Confident63 Ų6349.2 Ų49.241%0.40928%0.282SS..  trans-90147.9-178.934.5-33.9000113.4M464 I471 I472M464-P466 WeakPolarHBondContact O-CD 3.32Å; P466-I471 WeakPolarHBondContact CA-O 3.24Å; P466-I472 HydrophobicContact CB-CG1 4.45Å
467N80Confident83.7Confident11 Ų1149.2 Ų49.26%0.05928%0.282CS..  trans-76.7179.4169.174.35.6000112.8E438 H442 N469 G470 I471E438-N467 WeakPolarHBondContact OE1-CB 3.32Å; E438-N467 PolarHBondContact OE1-ND2 2.71Å; H442-N467 PolarHBondContact NE2-N 3.21Å; N467-N469 PolarHBondContact O-N 3.43Å; N467-N469 VanDerWaalsContact O-N 3.1Å; N467-N469 WeakPolarHBondContact OD1-CA 3.49Å; N467-N469 WeakPolarHBondContact OD1-CB 3.11Å; N467-N469 PolarHBondContact OD1-N 3.27Å; N467-G470 PolarHBondContact O-N 3.17Å; N467-G470 PolarHBondContact OD1-N 3.48Å; N467-I471 PolarHBondContact N-O 3.21Å; N467-I471 WeakPolarHBondContact OD1-CB 3.4Å; N467-I471 PolarHBondContact OD1-N 2.88Å; N467-I471 PolarHBondContact OD1-O 3.24Å
468N78.1Confident83.6Confident95 Ų9550.6 Ų50.651%0.50829%0.29SS..THydrogen-bonded Turntrans-58.7-23.6178.7-167.730.9000113.8D436 L437 G470D436-N468 VanDerWaalsContact C-CB 3.48Å; D436-N468 WeakPolarHBondContact O-CB 3.42Å; D436-N468 PolarHBondContact O-N 3.46Å; L437-N468 HydrophobicContact CB-CB 3.89Å; L437-N468 HydrophobicContact CD1-CB 3.87Å; L437-N468 HydrophobicContact CG-CB 3.83Å; N468-G470 VanDerWaalsContact C-N 3.28Å
469N74Confident83.4Confident100 Ų10049 Ų4954%0.53528%0.281SS..THydrogen-bonded Turntrans-87.41.4178.3-62.9-67.1000112.3D436 N467 I471D436-N469 PolarHBondContact OD1-ND2 2.8Å; N467-N469 PolarHBondContact O-N 3.43Å; N467-N469 VanDerWaalsContact O-N 3.1Å; N467-N469 WeakPolarHBondContact OD1-CA 3.49Å; N467-N469 WeakPolarHBondContact OD1-CB 3.11Å; N467-N469 PolarHBondContact OD1-N 3.27Å; N469-I471 VanDerWaalsContact C-N 3.27Å; N469-I471 HydrophobicContact CB-CD1 4Å; N469-I471 HydrophobicContact CB-CG1 4.04Å
470G77.5Confident83.3Confident52 Ų5245.6 Ų45.654%0.53627%0.268SS..SBendtrans74.914.5-17700000113.9N467 N468N467-G470 PolarHBondContact O-N 3.17Å; N467-G470 PolarHBondContact OD1-N 3.48Å; N468-G470 VanDerWaalsContact C-N 3.28Å
471I80.2Confident83.4Confident41 Ų4143.6 Ų43.621%0.2124%0.244CC..  trans-90.2129.9-177.4-54.1175.7000108.5H442 P466 N467 N469 Q475 L476H442-I471 PolarHBondContact NE2-O 3.06Å; P466-I471 WeakPolarHBondContact CA-O 3.24Å; N467-I471 PolarHBondContact N-O 3.21Å; N467-I471 WeakPolarHBondContact OD1-CB 3.4Å; N467-I471 PolarHBondContact OD1-N 2.88Å; N467-I471 PolarHBondContact OD1-O 3.24Å; N469-I471 VanDerWaalsContact C-N 3.27Å; N469-I471 HydrophobicContact CB-CD1 4Å; N469-I471 HydrophobicContact CB-CG1 4.04Å; I471-Q475 HydrophobicContact CG2-CB 3.87Å; I471-L476 HydrophobicContact CG2-CB 4.08Å; I471-L476 HydrophobicContact CG2-CD1 4.35Å
472I87.8Confident83.3Confident42 Ų4246.7 Ų46.722%0.21526%0.264CS..  trans-88.9146.6176.7-58.2174.6000109.1P463 M464 P466 I474 Q475 L476P463-I472 WeakPolarHBondContact O-CG2 3.35Å; M464-I472 HydrophobicContact CE-CG2 3.88Å; P466-I472 HydrophobicContact CB-CG1 4.45Å; I472-I474 VanDerWaalsContact C-N 3.28Å; I472-I474 HydrophobicContact CG2-CG2 4.13Å; I472-I474 PolarHBondContact O-N 2.85Å; I472-Q475 HydrophobicContact CB-CG 4.22Å; I472-Q475 CarbonylContact O-C 3.5Å; I472-Q475 WeakPolarHBondContact O-CA 3.45Å; I472-Q475 VanDerWaalsContact O-CB 3.31Å; I472-Q475 WeakPolarHBondContact O-CB 3.48Å; I472-Q475 PolarHBondContact O-N 2.75Å; I472-L476 PolarHBondContact O-N 3.26Å
473P86Confident83.2Confident0 Ų049.7 Ų49.70%028%0.276CS..Hα-helixtrans-41.8-44.8178.4-37.636.6000116L441 I445 P463 F465 Q475 L476 V477 L511L441-P473 HydrophobicContact CD2-CB 4.33Å; L441-P473 HydrophobicContact CD2-CG 4.2Å; I445-P473 HydrophobicContact CD1-CB 3.64Å; P463-P473 WeakPolarHBondContact O-CD 3.49Å; P463-P473 WeakPolarHBondContact O-CG 3.49Å; F465-P473 WeakPolarHBondContact O-CD 3.14Å; P473-Q475 VanDerWaalsContact C-N 3.35Å; P473-Q475 PolarHBondContact O-N 3.47Å; P473-L476 WeakPolarHBondContact O-CB 3.29Å; P473-L476 PolarHBondContact O-N 3.48Å; P473-V477 PolarHBondContact O-N 2.93Å; P473-V477 VanDerWaalsContact O-N 3.1Å; P473-L511 HydrophobicContact CB-CD1 4.3Å; P473-L511 HydrophobicContact CB-CD2 4.41Å
474I87.3Confident82.7Confident46 Ų4650.6 Ų50.624%0.23628%0.281CS..Hα-helixtrans-67.6-31.7177.7-163.8168.4000113.5M464 I472 D478M464-I474 HydrophobicContact CE-CG2 4.35Å; I472-I474 VanDerWaalsContact C-N 3.28Å; I472-I474 HydrophobicContact CG2-CG2 4.13Å; I472-I474 PolarHBondContact O-N 2.85Å; I474-D478 PolarHBondContact O-N 2.88Å
475Q85.6Confident82.5Confident88 Ų8852.8 Ų52.841%0.41129%0.288SS..Hα-helixtrans-75.1-32.3173.4-60.9170.6-19.200111.5I471 I472 P473 D478 N479I471-Q475 HydrophobicContact CG2-CB 3.87Å; I472-Q475 HydrophobicContact CB-CG 4.22Å; I472-Q475 CarbonylContact O-C 3.5Å; I472-Q475 WeakPolarHBondContact O-CA 3.45Å; I472-Q475 VanDerWaalsContact O-CB 3.31Å; I472-Q475 WeakPolarHBondContact O-CB 3.48Å; I472-Q475 PolarHBondContact O-N 2.75Å; P473-Q475 VanDerWaalsContact C-N 3.35Å; P473-Q475 PolarHBondContact O-N 3.47Å; Q475-D478 PolarHBondContact O-N 2.83Å; Q475-N479 WeakPolarHBondContact O-CB 3.3Å; Q475-N479 PolarHBondContact O-N 3.36Å; Q475-N479 PolarHBondContact O-ND2 2.81Å
476L86.9Confident82Confident15 Ų1557.5 Ų57.58%0.07931%0.311CS..Hα-helixtrans-61.4-47173.4-169.269.9000110.2H442 I445 Q446 I471 I472 P473 D478 N479 S480H442-L476 HydrophobicContact CB-CD2 3.9Å; I445-L476 HydrophobicContact CB-CD2 4.22Å; I445-L476 HydrophobicContact CG2-CB 4.43Å; I445-L476 HydrophobicContact CG2-CD2 3.88Å; I445-L476 HydrophobicContact CG2-CG 4.15Å; Q446-L476 HydrophobicContact CG-CD2 3.98Å; I471-L476 HydrophobicContact CG2-CB 4.08Å; I471-L476 HydrophobicContact CG2-CD1 4.35Å; I472-L476 PolarHBondContact O-N 3.26Å; P473-L476 WeakPolarHBondContact O-CB 3.29Å; P473-L476 PolarHBondContact O-N 3.48Å; L476-D478 PolarHBondContact O-N 2.6Å; L476-N479 PolarHBondContact O-N 2.85Å; L476-S480 PolarHBondContact O-N 3.35Å; L476-S480 PolarHBondContact O-OG 2.79Å
477V87.6Confident81.2Confident0 Ų058.8 Ų58.80%031%0.314CS..Hα-helixtrans-56.3-48.6173.3174.60000111.8I445 P473 N479 S480 I481 L504 I507 R508 L511I445-V477 HydrophobicContact CD1-CG2 4.28Å; I445-V477 HydrophobicContact CG1-CG2 4.25Å; I445-V477 HydrophobicContact CG2-CG2 3.53Å; P473-V477 PolarHBondContact O-N 2.93Å; P473-V477 VanDerWaalsContact O-N 3.1Å; V477-N479 VanDerWaalsContact C-N 3.34Å; V477-N479 PolarHBondContact O-N 3.18Å; V477-S480 PolarHBondContact O-N 2.98Å; V477-I481 HydrophobicContact CG1-CD1 3.65Å; V477-I481 HydrophobicContact CG1-CG1 4.32Å; V477-I481 WeakPolarHBondContact O-CB 3.43Å; V477-I481 VanDerWaalsContact O-CG1 3.3Å; V477-I481 WeakPolarHBondContact O-CG1 3.26Å; V477-I481 PolarHBondContact O-N 3.43Å; V477-L504 HydrophobicContact CG1-CB 4.43Å; V477-L504 HydrophobicContact CG1-CD2 4.43Å; V477-L504 VanDerWaalsContact CG1-O 3.31Å; V477-L504 WeakPolarHBondContact CG1-O 3.33Å; V477-L504 HydrophobicContact CG2-CD2 4.47Å; V477-I507 HydrophobicContact CG2-CG2 3.76Å; V477-R508 HydrophobicContact CG1-CB 3.76Å; V477-R508 HydrophobicContact CG1-CG 4Å; V477-L511 HydrophobicContact CG2-CD1 3.79Å
478D86.4Confident80.2Confident55 Ų5561.5 Ų61.529%0.29433%0.326SS..Hα-helixtrans-60.6-42178.7-83.62.8000112.4I474 Q475 L476 I481 C482 R508I474-D478 PolarHBondContact O-N 2.88Å; Q475-D478 PolarHBondContact O-N 2.83Å; L476-D478 PolarHBondContact O-N 2.6Å; D478-I481 PolarHBondContact O-N 3.42Å; D478-C482 PolarHBondContact O-N 3.42Å; D478-C482 PolarHBondContact O-SG 3.45Å; D478-C482 VanDerWaalsContact O-SG 3.35Å; D478-R508 VanDerWaalsContact CG-NH2 3.27Å; D478-R508 IonicContact OD1-CZ 3.21Å; D478-R508 IonicContact OD1-NE 2.66Å; D478-R508 PolarHBondContact OD1-NE 3.14Å; D478-R508 IonicContact OD1-NH2 2.66Å; D478-R508 PolarHBondContact OD1-NH2 3.43Å; D478-R508 IonicContact OD2-CZ 2.71Å; D478-R508 IonicContact OD2-NH2 3.67Å; D478-R508 PolarHBondContact OD2-NH2 3.17Å
479N85.7Confident79.3Confident76 Ų7663.9 Ų63.941%0.40634%0.339SS..Hα-helixtrans-63.7-45.5175.8-71.4-34.4000112Q475 L476 V477 C482 Q483Q475-N479 WeakPolarHBondContact O-CB 3.3Å; Q475-N479 PolarHBondContact O-N 3.36Å; Q475-N479 PolarHBondContact O-ND2 2.81Å; L476-N479 PolarHBondContact O-N 2.85Å; V477-N479 VanDerWaalsContact C-N 3.34Å; V477-N479 PolarHBondContact O-N 3.18Å; N479-C482 PolarHBondContact O-N 3.33Å; N479-Q483 WeakPolarHBondContact O-CG 3.41Å; N479-Q483 PolarHBondContact O-N 2.72Å
480S84Confident78.3Confident24 Ų2463.1 Ų63.117%0.16834%0.342CS..Hα-helixtrans-63.7-41.3177.4-640000112.2L476 V477 C482 Q483 L484L476-S480 PolarHBondContact O-N 3.35Å; L476-S480 PolarHBondContact O-OG 2.79Å; V477-S480 PolarHBondContact O-N 2.98Å; S480-C482 VanDerWaalsContact C-N 3.34Å; S480-C482 PolarHBondContact O-N 2.94Å; S480-Q483 PolarHBondContact O-N 3.44Å; S480-L484 WeakPolarHBondContact O-CB 3.48Å; S480-L484 VanDerWaalsContact O-CG 3.3Å; S480-L484 WeakPolarHBondContact O-CG 3.37Å; S480-L484 PolarHBondContact O-N 3.44Å
481I85.3Confident76.9Confident14 Ų1465.9 Ų65.97%0.07234%0.344CS..Hα-helixtrans-62.3-40.7175.1-72.3172.3000111V477 D478 K485 L501 L504V477-I481 HydrophobicContact CG1-CD1 3.65Å; V477-I481 HydrophobicContact CG1-CG1 4.32Å; V477-I481 WeakPolarHBondContact O-CB 3.43Å; V477-I481 VanDerWaalsContact O-CG1 3.3Å; V477-I481 WeakPolarHBondContact O-CG1 3.26Å; V477-I481 PolarHBondContact O-N 3.43Å; D478-I481 PolarHBondContact O-N 3.42Å; I481-K485 HydrophobicContact CG2-CD 4.03Å; I481-K485 VanDerWaalsContact O-CG 3.28Å; I481-K485 WeakPolarHBondContact O-CG 3.16Å; I481-K485 PolarHBondContact O-N 3.38Å; I481-K485 VanDerWaalsContact O-N 3.1Å; I481-L501 HydrophobicContact CG2-CD2 4.18Å; I481-L504 HydrophobicContact CD1-CB 4.09Å; I481-L504 HydrophobicContact CG1-CB 3.77Å; I481-L504 HydrophobicContact CG1-CD1 4.31Å
482C83.5Confident75.4Confident71 Ų7169.7 Ų69.748%0.4837%0.374SS..Hα-helixtrans-64.7-49.7176.2-74.30000112.1D478 N479 S480 L484 K485 E486D478-C482 PolarHBondContact O-N 3.42Å; D478-C482 PolarHBondContact O-SG 3.45Å; D478-C482 VanDerWaalsContact O-SG 3.35Å; N479-C482 PolarHBondContact O-N 3.33Å; S480-C482 VanDerWaalsContact C-N 3.34Å; S480-C482 PolarHBondContact O-N 2.94Å; C482-L484 VanDerWaalsContact C-N 3.32Å; C482-L484 PolarHBondContact O-N 3.33Å; C482-K485 PolarHBondContact O-N 2.86Å; C482-K485 VanDerWaalsContact O-N 3.15Å; C482-E486 PolarHBondContact O-N 2.97Å; C482-E486 VanDerWaalsContact O-N 3.07Å
483Q80.2Confident73.7Confident127 Ų12774.4 Ų74.459%0.59339%0.393SS*.Hα-helixtrans-59.6-40.7178-70.5179.88.800112.5N479 S480 E486 L487N479-Q483 WeakPolarHBondContact O-CG 3.41Å; N479-Q483 PolarHBondContact O-N 2.72Å; S480-Q483 PolarHBondContact O-N 3.44Å; Q483-E486 PolarHBondContact O-N 3.3Å; Q483-L487 WeakPolarHBondContact O-CG 3.29Å; Q483-L487 PolarHBondContact O-N 2.91Å; Q483-L487 VanDerWaalsContact O-N 3.14Å
484L75.7Confident72.4Confident25 Ų2577 Ų7713%0.13141%0.412CS..Hα-helixtrans-67.7-34.1177.3-72.1174000112.9S480 C482 L487 H488 Y497 L500 L501 L504S480-L484 WeakPolarHBondContact O-CB 3.48Å; S480-L484 VanDerWaalsContact O-CG 3.3Å; S480-L484 WeakPolarHBondContact O-CG 3.37Å; S480-L484 PolarHBondContact O-N 3.44Å; C482-L484 VanDerWaalsContact C-N 3.32Å; C482-L484 PolarHBondContact O-N 3.33Å; L484-L487 PolarHBondContact O-N 3.2Å; L484-H488 WeakPolarHBondContact O-CB 3.21Å; L484-H488 PolarHBondContact O-N 3.43Å; L484-Y497 HydrophobicContact CD2-CD1 3.82Å; L484-Y497 HydrophobicContact CD2-CE1 4.23Å; L484-L500 HydrophobicContact CD1-CB 4.22Å; L484-L501 HydrophobicContact CB-CD1 4.33Å; L484-L501 HydrophobicContact CB-CG 4.4Å; L484-L504 HydrophobicContact CD1-CD1 3.5Å
485K78.3Confident71.2Confident116 Ų11679.8 Ų79.850%0.50444%0.435SS..Hα-helixtrans-67.9-37.6174.2-76.6170.2178.9172.90112.4I481 C482 H488 L501I481-K485 HydrophobicContact CG2-CD 4.03Å; I481-K485 VanDerWaalsContact O-CG 3.28Å; I481-K485 WeakPolarHBondContact O-CG 3.16Å; I481-K485 PolarHBondContact O-N 3.38Å; I481-K485 VanDerWaalsContact O-N 3.1Å; C482-K485 PolarHBondContact O-N 2.86Å; C482-K485 VanDerWaalsContact O-N 3.15Å; K485-H488 PolarHBondContact O-N 3.08Å; K485-L501 HydrophobicContact CG-CD1 4.34Å; K485-L501 HydrophobicContact CG-CD2 4.46Å
486E70.2Confident70.3Confident147 Ų14783.4 Ų83.469%0.68745%0.449SS*.Hα-helixtrans-63.6-43174.5-70.1175.5179.600111.4C482 Q483C482-E486 PolarHBondContact O-N 2.97Å; C482-E486 VanDerWaalsContact O-N 3.07Å; Q483-E486 PolarHBondContact O-N 3.3Å
487L64.8Low69.3Low90 Ų9086.2 Ų86.247%0.47146%0.459SS..Hα-helixtrans-71.1-29.4177.8-68170.6000114.1Q483 L484 N489 S490Q483-L487 WeakPolarHBondContact O-CG 3.29Å; Q483-L487 PolarHBondContact O-N 2.91Å; Q483-L487 VanDerWaalsContact O-N 3.14Å; L484-L487 PolarHBondContact O-N 3.2Å; L487-N489 PolarHBondContact O-N 3.2Å; L487-S490 PolarHBondContact O-N 3.38Å; L487-S490 PolarHBondContact O-OG 3.44Å
488H60.2Low68.6Low67 Ų6788.3 Ų88.331%0.3147%0.474SS..THydrogen-bonded Turntrans-68.4-12.7-179.4-162.7-68.4000113.1L484 K485 S494L484-H488 WeakPolarHBondContact O-CB 3.21Å; L484-H488 PolarHBondContact O-N 3.43Å; K485-H488 PolarHBondContact O-N 3.08Å; H488-S494 PolarHBondContact CE1-OG 3.49Å; H488-S494 VanDerWaalsContact CE1-OG 3.26Å; H488-S494 WeakPolarHBondContact NE2-CB 3.31Å; H488-S494 PolarHBondContact NE2-OG 3.46Å
489N58.4Low68.2Low146 Ų14692.7 Ų92.778%0.78149%0.491SS*.THydrogen-bonded Turntrans-85.2-9.5178.4-71.8-30.1000114.5L487L487-N489 PolarHBondContact O-N 3.2Å
490S52.9Low67.8Low84 Ų8491.8 Ų91.859%0.58749%0.486SS*.THydrogen-bonded Turntrans-109.3-24.6-170.567.90000116.7L487L487-S490 PolarHBondContact O-N 3.38Å; L487-S490 PolarHBondContact O-OG 3.44Å
491D47.3Very low67.6Low109 Ų10992.2 Ų92.258%0.58349%0.486SS*.  trans-142.8148.4-166.1-99.5-63.2000115.8K493D491-K493 PolarHBondContact O-N 3.25Å
492S49.5Very low67.5Low121 Ų12196.4 Ų96.485%0.84651%0.508SS*.SBendtrans-74.527.1-170.756.10000116.1
493K52.1Low67.5Low142 Ų14293.2 Ų93.262%0.61749%0.487SS*.  trans-108.323.3-176.6-70.5177.6-178.3164.30114.5D491 S495 K496 Y497D491-K493 PolarHBondContact O-N 3.25Å; K493-S495 VanDerWaalsContact C-N 3.29Å; K493-S495 PolarHBondContact O-N 3.23Å; K493-K496 PolarHBondContact O-N 3.08Å; K493-K496 VanDerWaalsContact O-N 3.15Å; K493-Y497 HydrophobicContact CB-CD2 4.4Å; K493-Y497 HydrophobicContact CB-CE2 4.11Å
494S58.1Low67.7Low55 Ų5587.6 Ų87.639%0.38546%0.461SS..Hα-helixtrans-39.2-49.1-174.7175.70000114.9H488 K496 Y497 S498H488-S494 PolarHBondContact CE1-OG 3.49Å; H488-S494 VanDerWaalsContact CE1-OG 3.26Å; H488-S494 WeakPolarHBondContact NE2-CB 3.31Å; H488-S494 PolarHBondContact NE2-OG 3.46Å; S494-K496 VanDerWaalsContact C-N 3.29Å; S494-K496 PolarHBondContact O-N 2.94Å; S494-K496 VanDerWaalsContact O-N 3.13Å; S494-Y497 PolarHBondContact O-N 3.4Å; S494-S498 PolarHBondContact O-N 3.34Å; S494-S498 PolarHBondContact O-OG 3.38Å
495S63.2Low68.2Low103 Ų10389.4 Ų89.472%0.7248%0.476SS*.Hα-helixtrans-56.9-30.4-174.6-177.70000115.5K493 S498K493-S495 VanDerWaalsContact C-N 3.29Å; K493-S495 PolarHBondContact O-N 3.23Å; S495-S498 PolarHBondContact O-OG 2.77Å; S495-S498 VanDerWaalsContact O-OG 3.12Å
496K65.3Low68.6Low165 Ų16588.1 Ų88.172%0.71748%0.475SS*.Hα-helixtrans-84.2-28.8177-166170-176.4179.60112.7K493 S494K493-K496 PolarHBondContact O-N 3.08Å; K493-K496 VanDerWaalsContact O-N 3.15Å; S494-K496 VanDerWaalsContact C-N 3.29Å; S494-K496 PolarHBondContact O-N 2.94Å; S494-K496 VanDerWaalsContact O-N 3.13Å
497Y67.6Low69.4Low73 Ų7381.1 Ų81.129%0.28644%0.442SS..Hα-helixtrans-79.7-35.5176.9-67.3-62.9000112.2L484 K493 S494 F499 L500 L501L484-Y497 HydrophobicContact CD2-CD1 3.82Å; L484-Y497 HydrophobicContact CD2-CE1 4.23Å; K493-Y497 HydrophobicContact CB-CD2 4.4Å; K493-Y497 HydrophobicContact CB-CE2 4.11Å; S494-Y497 PolarHBondContact O-N 3.4Å; Y497-F499 VanDerWaalsContact C-N 3.33Å; Y497-F499 PolarHBondContact O-N 2.85Å; Y497-L500 PolarHBondContact O-N 2.87Å; Y497-L501 WeakPolarHBondContact O-CB 3.18Å; Y497-L501 PolarHBondContact O-N 2.91Å
498S72.5Confident70.5Confident45 Ų4582.4 Ų82.432%0.31544%0.44SS..Hα-helixtrans-61.2-39.1176.558.60000112.7S494 S495 L500 L501 N502S494-S498 PolarHBondContact O-N 3.34Å; S494-S498 PolarHBondContact O-OG 3.38Å; S495-S498 PolarHBondContact O-OG 2.77Å; S495-S498 VanDerWaalsContact O-OG 3.12Å; S498-L500 PolarHBondContact O-N 2.86Å; S498-L501 PolarHBondContact O-N 3.06Å; S498-N502 VanDerWaalsContact O-CG 3.27Å; S498-N502 PolarHBondContact O-N 3.01Å; S498-N502 PolarHBondContact O-OD1 2.71Å
499F78.1Confident71.7Confident147 Ų14784.3 Ų84.365%0.64545%0.45SS*.Hα-helixtrans-59.2-46.6173.9-177.9-94.3000112.2Y497 N502 A503Y497-F499 VanDerWaalsContact C-N 3.33Å; Y497-F499 PolarHBondContact O-N 2.85Å; F499-N502 PolarHBondContact O-N 3.22Å; F499-A503 WeakPolarHBondContact O-CB 3.38Å; F499-A503 PolarHBondContact O-N 3.42Å
500L75.9Confident73.1Confident57 Ų5778.3 Ų78.330%0.29842%0.417SS..Hα-helixtrans-67.8-34.7177.1-70.6170.4000112.6L484 Y497 S498 L504L484-L500 HydrophobicContact CD1-CB 4.22Å; Y497-L500 PolarHBondContact O-N 2.87Å; S498-L500 PolarHBondContact O-N 2.86Å; L500-L504 WeakPolarHBondContact O-CB 3.47Å; L500-L504 WeakPolarHBondContact O-CG 3.34Å; L500-L504 PolarHBondContact O-N 3.09Å
501L80.9Confident74.6Confident33 Ų3374.3 Ų74.317%0.17339%0.389CS..Hα-helixtrans-67.4-38176.4-119.1156.9000112I481 L484 K485 Y497 S498 S505I481-L501 HydrophobicContact CG2-CD2 4.18Å; L484-L501 HydrophobicContact CB-CD1 4.33Å; L484-L501 HydrophobicContact CB-CG 4.4Å; K485-L501 HydrophobicContact CG-CD1 4.34Å; K485-L501 HydrophobicContact CG-CD2 4.46Å; Y497-L501 WeakPolarHBondContact O-CB 3.18Å; Y497-L501 PolarHBondContact O-N 2.91Å; S498-L501 PolarHBondContact O-N 3.06Å; L501-S505 WeakPolarHBondContact O-CB 3.41Å; L501-S505 PolarHBondContact O-N 2.91Å; L501-S505 VanDerWaalsContact O-N 3.11Å
502N83.5Confident76.4Confident102 Ų10271.3 Ų71.355%0.54538%0.377SS..Hα-helixtrans-67.1-52.6172.5-68.63.1000110.6S498 F499 L504 S505 D506S498-N502 VanDerWaalsContact O-CG 3.27Å; S498-N502 PolarHBondContact O-N 3.01Å; S498-N502 PolarHBondContact O-OD1 2.71Å; F499-N502 PolarHBondContact O-N 3.22Å; N502-L504 VanDerWaalsContact C-N 3.28Å; N502-L504 PolarHBondContact O-N 3.24Å; N502-S505 CarbonylContact O-C 3.52Å; N502-S505 WeakPolarHBondContact O-CA 3.17Å; N502-S505 VanDerWaalsContact O-CB 3.22Å; N502-S505 WeakPolarHBondContact O-CB 3.33Å; N502-S505 PolarHBondContact O-N 3.48Å; N502-D506 VanDerWaalsContact O-CG 3.29Å; N502-D506 PolarHBondContact O-N 2.95Å
503A84.2Confident78Confident4 Ų471.5 Ų71.53%0.03336%0.362CS..Hα-helixtrans-54.5-41.9178.500000112.8V450 F499 D506 I507V450-A503 HydrophobicContact CG2-CB 3.59Å; F499-A503 WeakPolarHBondContact O-CB 3.38Å; F499-A503 PolarHBondContact O-N 3.42Å; A503-D506 PolarHBondContact O-N 3.15Å; A503-I507 WeakPolarHBondContact O-CB 3.13Å; A503-I507 WeakPolarHBondContact O-CD1 3.4Å; A503-I507 WeakPolarHBondContact O-CG1 3.31Å; A503-I507 PolarHBondContact O-N 3.18Å
504L84.2Confident79.1Confident8 Ų865.5 Ų65.54%0.04234%0.339CS..Hα-helixtrans-69-30.8174.2-74.7167.2000113I445 V477 I481 L484 L500 N502 R508I445-L504 HydrophobicContact CG2-CD2 4.25Å; V477-L504 HydrophobicContact CG1-CB 4.43Å; V477-L504 HydrophobicContact CG1-CD2 4.43Å; V477-L504 VanDerWaalsContact CG1-O 3.31Å; V477-L504 WeakPolarHBondContact CG1-O 3.33Å; V477-L504 HydrophobicContact CG2-CD2 4.47Å; I481-L504 HydrophobicContact CD1-CB 4.09Å; I481-L504 HydrophobicContact CG1-CB 3.77Å; I481-L504 HydrophobicContact CG1-CD1 4.31Å; L484-L504 HydrophobicContact CD1-CD1 3.5Å; L500-L504 WeakPolarHBondContact O-CB 3.47Å; L500-L504 WeakPolarHBondContact O-CG 3.34Å; L500-L504 PolarHBondContact O-N 3.09Å; N502-L504 VanDerWaalsContact C-N 3.28Å; N502-L504 PolarHBondContact O-N 3.24Å; L504-R508 VanDerWaalsContact O-CB 3.32Å; L504-R508 WeakPolarHBondContact O-CB 3.44Å; L504-R508 PolarHBondContact O-N 3.28Å
505S85.4Confident79.8Confident64 Ų6463.6 Ų63.645%0.44833%0.326SS..Hα-helixtrans-66.7-43.2172.1-168.80000111.7L501 N502 R508 E509L501-S505 WeakPolarHBondContact O-CB 3.41Å; L501-S505 PolarHBondContact O-N 2.91Å; L501-S505 VanDerWaalsContact O-N 3.11Å; N502-S505 CarbonylContact O-C 3.52Å; N502-S505 WeakPolarHBondContact O-CA 3.17Å; N502-S505 VanDerWaalsContact O-CB 3.22Å; N502-S505 WeakPolarHBondContact O-CB 3.33Å; N502-S505 PolarHBondContact O-N 3.48Å; S505-R508 VanDerWaalsContact O-CB 3.28Å; S505-R508 WeakPolarHBondContact O-CB 3.4Å; S505-R508 PolarHBondContact O-N 3.25Å; S505-E509 PolarHBondContact O-N 3.44Å
506D87.3Confident79.7Confident89 Ų8964 Ų6448%0.47632%0.32SS..Hα-helixtrans-64.4-45.5178.5-55.8-32.2000110.4V450 N502 A503 R508 E509 M510V450-D506 HydrophobicContact CG1-CB 4.19Å; N502-D506 VanDerWaalsContact O-CG 3.29Å; N502-D506 PolarHBondContact O-N 2.95Å; A503-D506 PolarHBondContact O-N 3.15Å; D506-R508 VanDerWaalsContact C-N 3.3Å; D506-R508 PolarHBondContact O-N 2.9Å; D506-E509 PolarHBondContact O-N 3.23Å; D506-M510 WeakPolarHBondContact O-CB 3.39Å; D506-M510 PolarHBondContact O-N 3.06Å
507I86.4Confident79.4Confident0 Ų059.4 Ų59.40%031%0.308CS..Hα-helixtrans-59.7-39.3172.8-69.9167.4000111.4I445 V450 C453 V477 A503 M510 L511I445-I507 HydrophobicContact CG1-CG2 3.91Å; V450-I507 HydrophobicContact CB-CG1 4.26Å; V450-I507 HydrophobicContact CG1-CG1 4.15Å; V450-I507 HydrophobicContact CG2-CD1 4.08Å; V450-I507 HydrophobicContact CG2-CG1 4.07Å; C453-I507 HydrophobicContact CB-CG1 4.4Å; V477-I507 HydrophobicContact CG2-CG2 3.76Å; A503-I507 WeakPolarHBondContact O-CB 3.13Å; A503-I507 WeakPolarHBondContact O-CD1 3.4Å; A503-I507 WeakPolarHBondContact O-CG1 3.31Å; A503-I507 PolarHBondContact O-N 3.18Å; I507-M510 HydrophobicContact CG1-CE 4.26Å; I507-M510 PolarHBondContact O-N 3.37Å; I507-L511 HydrophobicContact CG2-CD1 3.81Å; I507-L511 HydrophobicContact CG2-CG 4.31Å; I507-L511 WeakPolarHBondContact O-CB 3.44Å; I507-L511 WeakPolarHBondContact O-CG 3.47Å; I507-L511 PolarHBondContact O-N 2.81Å
508R87.2Confident78.6Confident116 Ų11658.5 Ų58.544%0.43831%0.31SS..Hα-helixtrans-61.1-46.8176.9-161.7-173.4-163.9-126.8-2111.7V477 D478 L504 S505 D506 S512V477-R508 HydrophobicContact CG1-CB 3.76Å; V477-R508 HydrophobicContact CG1-CG 4Å; D478-R508 VanDerWaalsContact CG-NH2 3.27Å; D478-R508 IonicContact OD1-CZ 3.21Å; D478-R508 IonicContact OD1-NE 2.66Å; D478-R508 PolarHBondContact OD1-NE 3.14Å; D478-R508 IonicContact OD1-NH2 2.66Å; D478-R508 PolarHBondContact OD1-NH2 3.43Å; D478-R508 IonicContact OD2-CZ 2.71Å; D478-R508 IonicContact OD2-NH2 3.67Å; D478-R508 PolarHBondContact OD2-NH2 3.17Å; L504-R508 VanDerWaalsContact O-CB 3.32Å; L504-R508 WeakPolarHBondContact O-CB 3.44Å; L504-R508 PolarHBondContact O-N 3.28Å; S505-R508 VanDerWaalsContact O-CB 3.28Å; S505-R508 WeakPolarHBondContact O-CB 3.4Å; S505-R508 PolarHBondContact O-N 3.25Å; D506-R508 VanDerWaalsContact C-N 3.3Å; D506-R508 PolarHBondContact O-N 2.9Å; R508-S512 WeakPolarHBondContact O-CB 3.01Å; R508-S512 PolarHBondContact O-N 3.07Å
509E86.4Confident77.2Confident108 Ų10861 Ų6151%0.50532%0.319SS..Hα-helixtrans-65-45.5179.7-165.5-176133.100110.5S505 D506 S512 K513S505-E509 PolarHBondContact O-N 3.44Å; D506-E509 PolarHBondContact O-N 3.23Å; E509-S512 PolarHBondContact O-N 2.87Å; E509-S512 PolarHBondContact O-OG 3.27Å; E509-K513 WeakPolarHBondContact O-CG 3.34Å; E509-K513 PolarHBondContact O-N 2.83Å; E509-K513 VanDerWaalsContact O-N 3.08Å; E509-K513 WeakPolarHBondContact OE1-CE 3.1Å; E509-K513 IonicContact OE1-NZ 2.61Å; E509-K513 PolarHBondContact OE1-NZ 2.98Å
510M87Confident75.3Confident20 Ų2058.1 Ų58.110%0.09931%0.313CS..Hα-helixtrans-58.4-49.3176179.6177.370.200112.9C453 Q454 L457 D506 I507 S512 K513 A514C453-M510 HydrophobicContact CB-CE 3.31Å; Q454-M510 VanDerWaalsContact CA-SD 3.51Å; Q454-M510 HydrophobicContact CB-SD 3.59Å; Q454-M510 VanDerWaalsContact CB-SD 3.59Å; Q454-M510 HydrophobicContact CG-SD 4.2Å; Q454-M510 PolarHBondContact OE1-SD 2.83Å; L457-M510 HydrophobicContact CD1-CE 3.87Å; L457-M510 HydrophobicContact CD1-CG 3.72Å; L457-M510 HydrophobicContact CD1-SD 4.02Å; D506-M510 WeakPolarHBondContact O-CB 3.39Å; D506-M510 PolarHBondContact O-N 3.06Å; I507-M510 HydrophobicContact CG1-CE 4.26Å; I507-M510 PolarHBondContact O-N 3.37Å; M510-S512 VanDerWaalsContact C-N 3.3Å; M510-S512 PolarHBondContact O-N 3.4Å; M510-K513 PolarHBondContact O-N 3.1Å; M510-A514 PolarHBondContact O-N 2.86Å
511L84.3Confident73.5Confident0 Ų059.8 Ų59.80%033%0.329CS..Hα-helixtrans-63.2-34.8175.8-73.8170.7000112.2L441 I445 L457 P463 P473 V477 I507 A514 S515L441-L511 HydrophobicContact CD2-CD2 4.19Å; I445-L511 HydrophobicContact CD1-CD1 3.81Å; I445-L511 HydrophobicContact CG1-CD1 4.48Å; L457-L511 HydrophobicContact CD1-CD2 4.08Å; L457-L511 HydrophobicContact CD2-CD2 4.26Å; P463-L511 HydrophobicContact CB-CD2 3.93Å; P473-L511 HydrophobicContact CB-CD1 4.3Å; P473-L511 HydrophobicContact CB-CD2 4.41Å; V477-L511 HydrophobicContact CG2-CD1 3.79Å; I507-L511 HydrophobicContact CG2-CD1 3.81Å; I507-L511 HydrophobicContact CG2-CG 4.31Å; I507-L511 WeakPolarHBondContact O-CB 3.44Å; I507-L511 WeakPolarHBondContact O-CG 3.47Å; I507-L511 PolarHBondContact O-N 2.81Å; L511-A514 PolarHBondContact O-N 3Å; L511-S515 WeakPolarHBondContact O-CB 3.41Å; L511-S515 PolarHBondContact O-N 3.12Å; L511-S515 PolarHBondContact O-OG 2.97Å
512S84.9Confident71.3Confident46 Ų4663.2 Ų63.232%0.32235%0.348SS..Hα-helixtrans-64.9-39176790000112.2R508 E509 M510 L516R508-S512 WeakPolarHBondContact O-CB 3.01Å; R508-S512 PolarHBondContact O-N 3.07Å; E509-S512 PolarHBondContact O-N 2.87Å; E509-S512 PolarHBondContact O-OG 3.27Å; M510-S512 VanDerWaalsContact C-N 3.3Å; M510-S512 PolarHBondContact O-N 3.4Å; S512-L516 WeakPolarHBondContact O-CG 3.39Å; S512-L516 PolarHBondContact O-N 3.13Å
513K83.2Confident68.7Low124 Ų12464.1 Ų64.154%0.53935%0.347SS..Hα-helixtrans-65.9-46.6174.3-67.9166.3-177.1166.30111.5E509 M510 L516 S517E509-K513 WeakPolarHBondContact O-CG 3.34Å; E509-K513 PolarHBondContact O-N 2.83Å; E509-K513 VanDerWaalsContact O-N 3.08Å; E509-K513 WeakPolarHBondContact OE1-CE 3.1Å; E509-K513 IonicContact OE1-NZ 2.61Å; E509-K513 PolarHBondContact OE1-NZ 2.98Å; M510-K513 PolarHBondContact O-N 3.1Å; K513-L516 PolarHBondContact O-N 3.46Å; K513-S517 PolarHBondContact O-N 2.98Å
514A76.7Confident66.1Low17 Ų1771.6 Ų71.614%0.1439%0.386CS..Hα-helixtrans-63.4-40.6177.700000112.5L457 P463 M510 L511 L516 S517 T518L457-A514 HydrophobicContact CD1-CB 4.3Å; L457-A514 HydrophobicContact CD2-CB 4.12Å; P463-A514 HydrophobicContact CB-CB 4.45Å; P463-A514 HydrophobicContact CG-CB 4.17Å; M510-A514 PolarHBondContact O-N 2.86Å; L511-A514 PolarHBondContact O-N 3Å; A514-L516 VanDerWaalsContact C-N 3.3Å; A514-L516 PolarHBondContact O-N 2.92Å; A514-S517 PolarHBondContact O-N 2.74Å; A514-S517 PolarHBondContact O-OG 2.86Å; A514-T518 PolarHBondContact O-N 3.05Å; A514-T518 PolarHBondContact O-OG1 2.77Å
515S71Confident63.5Low14 Ų1476.4 Ų76.410%0.09842%0.419CS..Hα-helixtrans-61.8-39.2176-55.30000111.8M464 L511 I519M464-S515 WeakPolarHBondContact CE-OG 3.26Å; L511-S515 WeakPolarHBondContact O-CB 3.41Å; L511-S515 PolarHBondContact O-N 3.12Å; L511-S515 PolarHBondContact O-OG 2.97Å; S515-I519 WeakPolarHBondContact O-CD1 3.42Å; S515-I519 WeakPolarHBondContact O-CG1 3.39Å; S515-I519 PolarHBondContact O-N 3.08Å
516L62.1Low60.6Low113 Ų11379.2 Ų79.259%0.59243%0.429SS*.Hα-helixtrans-69.7-38.8177-74.2168.4000112.5S512 K513 A514 I519 V520S512-L516 WeakPolarHBondContact O-CG 3.39Å; S512-L516 PolarHBondContact O-N 3.13Å; K513-L516 PolarHBondContact O-N 3.46Å; A514-L516 VanDerWaalsContact C-N 3.3Å; A514-L516 PolarHBondContact O-N 2.92Å; L516-I519 PolarHBondContact O-N 3.35Å; L516-V520 WeakPolarHBondContact O-CG2 3.22Å; L516-V520 PolarHBondContact O-N 2.94Å
517S58.5Low57.7Low68 Ų6881.1 Ų81.148%0.47644%0.444SS..Hα-helixtrans-67.3-39.7176.662.90000112K513 A514 I519 V520 S521K513-S517 PolarHBondContact O-N 2.98Å; A514-S517 PolarHBondContact O-N 2.74Å; A514-S517 PolarHBondContact O-OG 2.86Å; S517-I519 VanDerWaalsContact C-N 3.27Å; S517-I519 PolarHBondContact O-N 3.03Å; S517-V520 PolarHBondContact O-N 3.09Å; S517-S521 PolarHBondContact O-N 3.46Å; S517-S521 VanDerWaalsContact O-N 3.13Å; S517-S521 PolarHBondContact O-OG 2.88Å
518T50.5Low54.8Low53 Ų5388.2 Ų88.233%0.32548%0.482SS..Hα-helixtrans-56.1-41.8174-47.90000111.7A514 V520A514-T518 PolarHBondContact O-N 3.05Å; A514-T518 PolarHBondContact O-OG1 2.77Å; T518-V520 VanDerWaalsContact C-N 3.3Å; T518-V520 PolarHBondContact O-N 2.71Å
519I44.1Very low51.9Low97 Ų9790.8 Ų90.850%0.49750%0.504SS..Hα-helixtrans-73.6-18.1179-64.6164.7000112.9S515 L516 S517S515-I519 WeakPolarHBondContact O-CD1 3.42Å; S515-I519 WeakPolarHBondContact O-CG1 3.39Å; S515-I519 PolarHBondContact O-N 3.08Å; L516-I519 PolarHBondContact O-N 3.35Å; S517-I519 VanDerWaalsContact C-N 3.27Å; S517-I519 PolarHBondContact O-N 3.03Å
520V37.8Very low49.2Very low88 Ų8894.1 Ų94.153%0.53352%0.517SS..Hα-helixtrans-85.8-37.8177.3169.80000111.5L516 S517 T518 D522 K523L516-V520 WeakPolarHBondContact O-CG2 3.22Å; L516-V520 PolarHBondContact O-N 2.94Å; S517-V520 PolarHBondContact O-N 3.09Å; T518-V520 VanDerWaalsContact C-N 3.3Å; T518-V520 PolarHBondContact O-N 2.71Å; V520-D522 PolarHBondContact O-N 2.93Å; V520-K523 WeakPolarHBondContact O-CB 3.38Å; V520-K523 PolarHBondContact O-N 3.2Å
521S38.8Very low46.3Very low91 Ų91100.3 Ų100.364%0.63656%0.556SS**Hα-helixtrans-59.6-29.7178.3-59.10000113.9S517 K523S517-S521 PolarHBondContact O-N 3.46Å; S517-S521 VanDerWaalsContact O-N 3.13Å; S517-S521 PolarHBondContact O-OG 2.88Å; S521-K523 VanDerWaalsContact C-N 3.31Å; S521-K523 PolarHBondContact O-N 2.88Å
522D34Very low43.5Very low105 Ų105106.8 Ų106.856%0.56159%0.59SS**G310 helixtrans-77.4-8.3176.6-77.9-24.6000114.1V520 C525V520-D522 PolarHBondContact O-N 2.93Å; D522-C525 WeakPolarHBondContact O-CB 3.34Å; D522-C525 PolarHBondContact O-N 2.92Å
523K29Very low40.8Very low122 Ų122108.6 Ų108.653%0.5360%0.603SS.*G310 helixtrans-77.1-24.5-171.7-74.7-175.8177.41790115V520 S521 C525 L526V520-K523 WeakPolarHBondContact O-CB 3.38Å; V520-K523 PolarHBondContact O-N 3.2Å; S521-K523 VanDerWaalsContact C-N 3.31Å; S521-K523 PolarHBondContact O-N 2.88Å; K523-C525 PolarHBondContact O-N 2.81Å; K523-C525 VanDerWaalsContact O-N 3.12Å; K523-L526 PolarHBondContact O-N 3.4Å; K523-L526 VanDerWaalsContact O-N 3.07Å
524D30.2Very low38.4Very low160 Ų160109.8 Ų109.886%0.85661%0.613SS**G310 helixtrans-67.8-9.6174.2-68.5-20000112.2
525C28.1Very low36.2Very low109 Ų109115.9 Ų115.974%0.73664%0.643SS**G310 helixtrans-95.1-3.3173.9-60.20000114.3D522 K523D522-C525 WeakPolarHBondContact O-CB 3.34Å; D522-C525 PolarHBondContact O-N 2.92Å; K523-C525 PolarHBondContact O-N 2.81Å; K523-C525 VanDerWaalsContact O-N 3.12Å
526L24.8Very low34.4Very low123 Ų123118.9 Ų118.964%0.64466%0.664SS**  trans-112.854-163.5-82.5166.5000115.1K523K523-L526 PolarHBondContact O-N 3.4Å; K523-L526 VanDerWaalsContact O-N 3.07Å
527T28Very low33.2Very low129 Ų129118.2 Ų118.279%0.79167%0.665SS**  trans-112.939.9169.651.30000113.9
528N25.2Very low32.4Very low149 Ų149117.9 Ų117.980%0.79766%0.662SS**  trans-150.5110.1161.1-105.9-51.7000113.2K530N528-K530 PolarHBondContact O-N 3.4Å
529N25.6Very low31.7Very low171 Ų171118.8 Ų118.891%0.91467%0.671SS**  trans-78.381.7178.5-78.6-37.9000112.1
530K28.9Very low31.5Very low177 Ų177115.2 Ų115.277%0.7766%0.656SS**SBendtrans-132.4143.2155.6-78.3-172.5177.4176.90110.1N528 L532N528-K530 PolarHBondContact O-N 3.4Å; K530-L532 HydrophobicContact CB-CD1 4.5Å; K530-L532 PolarHBondContact O-N 3.16Å
531T26.2Very low31.8Very low151 Ų151113.8 Ų113.893%0.92665%0.647SS**  trans-71.188.1-177.847.90000111.3
532L25.6Very low32.1Very low136 Ų136111.7 Ų111.771%0.71263%0.631SS**  trans-135.5165.4-177.8-89.7161000112K530 I534K530-L532 HydrophobicContact CB-CD1 4.5Å; K530-L532 PolarHBondContact O-N 3.16Å; L532-I534 PolarHBondContact O-N 2.93Å
533S28.8Very low32.8Very low84 Ų84108.2 Ų108.259%0.58761%0.611SS**  trans59.83.5162.564.80000122.4L535 S536S533-L535 PolarHBondContact O-N 3.47Å; S533-S536 VanDerWaalsContact O-CB 3.32Å; S533-S536 WeakPolarHBondContact O-CB 3.42Å; S533-S536 PolarHBondContact O-N 2.89Å
534I32.4Very low33.8Very low148 Ų148105.3 Ų105.376%0.75960%0.6SS**Hα-helixtrans-59.3-32.4163.9-68.1-179.7000111.1L532 S536 S538L532-I534 PolarHBondContact O-N 2.93Å; I534-S536 VanDerWaalsContact C-N 3.28Å; I534-S536 PolarHBondContact O-N 2.88Å; I534-S538 PolarHBondContact O-OG 3.1Å
535L30.8Very low34.7Very low146 Ų146101.7 Ų101.776%0.76458%0.578SS**Hα-helixtrans-70.8-16.7174.9-67.8167.3000114.5S533 S539S533-L535 PolarHBondContact O-N 3.47Å; L535-S539 PolarHBondContact O-N 3.14Å; L535-S539 PolarHBondContact O-OG 3.13Å
536S33.2Very low35.8Very low77 Ų77103.3 Ų103.354%0.53857%0.569SS.*Hα-helixtrans-73.6-51.5-175.7-169.40000111S533 I534 S538 S539 A540S533-S536 VanDerWaalsContact O-CB 3.32Å; S533-S536 WeakPolarHBondContact O-CB 3.42Å; S533-S536 PolarHBondContact O-N 2.89Å; I534-S536 VanDerWaalsContact C-N 3.28Å; I534-S536 PolarHBondContact O-N 2.88Å; S536-S538 VanDerWaalsContact C-N 3.34Å; S536-S538 PolarHBondContact O-N 3.21Å; S536-S539 WeakPolarHBondContact O-CB 3.37Å; S536-S539 PolarHBondContact O-N 2.9Å; S536-S539 VanDerWaalsContact O-N 3.1Å; S536-A540 PolarHBondContact O-N 3.28Å
537V36.3Very low37.1Very low99 Ų9998.1 Ų98.160%0.654%0.541SS*.Hα-helixtrans-61-44.8-179.6-176.80000110.4S539 A540 T541V537-S539 PolarHBondContact O-N 2.91Å; V537-S539 VanDerWaalsContact O-N 3.15Å; V537-A540 PolarHBondContact O-N 2.81Å; V537-A540 VanDerWaalsContact O-N 3.13Å; V537-T541 HydrophobicContact CG1-CG2 4.06Å; V537-T541 PolarHBondContact O-N 2.92Å; V537-T541 PolarHBondContact O-OG1 2.91Å
538S41.8Very low38.5Very low60 Ų6096.3 Ų96.342%0.4252%0.519SS..Hα-helixtrans-57.9-28.4176.5-54.70000114I534 S536 T541 T542I534-S538 PolarHBondContact O-OG 3.1Å; S536-S538 VanDerWaalsContact C-N 3.34Å; S536-S538 PolarHBondContact O-N 3.21Å; S538-T541 PolarHBondContact O-OG1 3.21Å; S538-T542 VanDerWaalsContact O-CB 3.31Å; S538-T542 WeakPolarHBondContact O-CB 3.48Å; S538-T542 WeakPolarHBondContact O-CG2 3.26Å; S538-T542 PolarHBondContact O-N 3.07Å; S538-T542 VanDerWaalsContact O-N 3.09Å; S538-T542 PolarHBondContact O-OG1 3.33Å
539S36.8Very low40Very low73 Ų7392.8 Ų92.851%0.5150%0.5SS..Hα-helixtrans-73.8-40178.1-62.50000111.7L535 S536 V537 T542 F543L535-S539 PolarHBondContact O-N 3.14Å; L535-S539 PolarHBondContact O-OG 3.13Å; S536-S539 WeakPolarHBondContact O-CB 3.37Å; S536-S539 PolarHBondContact O-N 2.9Å; S536-S539 VanDerWaalsContact O-N 3.1Å; V537-S539 PolarHBondContact O-N 2.91Å; V537-S539 VanDerWaalsContact O-N 3.15Å; S539-T542 PolarHBondContact O-OG1 3.19Å; S539-F543 VanDerWaalsContact O-CB 3.29Å; S539-F543 WeakPolarHBondContact O-CB 3.33Å; S539-F543 PolarHBondContact O-N 2.97Å
540A40Very low42.2Very low22 Ų2292.8 Ų92.818%0.18249%0.487CS..Hα-helixtrans-72.1-45174.800000112.2S536 V537 F543 I544S536-A540 PolarHBondContact O-N 3.28Å; V537-A540 PolarHBondContact O-N 2.81Å; V537-A540 VanDerWaalsContact O-N 3.13Å; A540-F543 WeakPolarHBondContact O-CB 3.43Å; A540-F543 PolarHBondContact O-N 3.21Å; A540-I544 WeakPolarHBondContact O-CG1 3.41Å; A540-I544 PolarHBondContact O-N 3.32Å; A540-I544 VanDerWaalsContact O-N 3.1Å
541T43.2Very low44.9Very low57 Ų5784.5 Ų84.535%0.3545%0.452SS..Hα-helixtrans-64.3-47.1179.663.50000111.5V537 S538 F543 I544 E545V537-T541 HydrophobicContact CG1-CG2 4.06Å; V537-T541 PolarHBondContact O-N 2.92Å; V537-T541 PolarHBondContact O-OG1 2.91Å; S538-T541 PolarHBondContact O-OG1 3.21Å; T541-F543 PolarHBondContact O-N 3.06Å; T541-I544 PolarHBondContact O-N 3.03Å; T541-E545 WeakPolarHBondContact O-CB 3.26Å; T541-E545 VanDerWaalsContact O-CG 3.31Å; T541-E545 WeakPolarHBondContact O-CG 3.38Å; T541-E545 PolarHBondContact O-N 3.26Å
542T45.9Very low47.9Very low48 Ų4878.4 Ų78.429%0.29441%0.413SS..Hα-helixtrans-65.7-24.7176.6610000113.1S538 S539 R546S538-T542 VanDerWaalsContact O-CB 3.31Å; S538-T542 WeakPolarHBondContact O-CB 3.48Å; S538-T542 WeakPolarHBondContact O-CG2 3.26Å; S538-T542 PolarHBondContact O-N 3.07Å; S538-T542 VanDerWaalsContact O-N 3.09Å; S538-T542 PolarHBondContact O-OG1 3.33Å; S539-T542 PolarHBondContact O-OG1 3.19Å; T542-R546 WeakPolarHBondContact O-CB 3.33Å; T542-R546 WeakPolarHBondContact O-CD 3.21Å; T542-R546 WeakPolarHBondContact O-CG 3.32Å; T542-R546 PolarHBondContact O-N 3.29Å; T542-R546 PolarHBondContact OG1-NH1 2.68Å
543F48.2Very low51.2Low32 Ų3271.9 Ų71.914%0.1438%0.379CS..Hα-helixtrans-70.6-36.6172.2-176.1-95.7000112.4S539 A540 T541 R547 Q649 R695 E696S539-F543 VanDerWaalsContact O-CB 3.29Å; S539-F543 WeakPolarHBondContact O-CB 3.33Å; S539-F543 PolarHBondContact O-N 2.97Å; A540-F543 WeakPolarHBondContact O-CB 3.43Å; A540-F543 PolarHBondContact O-N 3.21Å; T541-F543 PolarHBondContact O-N 3.06Å; F543-R547 VanDerWaalsContact CE1-CZ 3.46Å; F543-R547 PolarHBondContact O-NH1 3.16Å; F543-Q649 WeakPolarHBondContact CE2-O 3.39Å; F543-Q649 WeakPolarHBondContact CZ-O 3.49Å; F543-R695 HydrophobicContact CD1-CB 4.24Å; F543-R695 HydrophobicContact CE1-CB 3.34Å; F543-R695 HydrophobicContact CE1-CG 4.49Å; F543-R695 HydrophobicContact CE2-CB 4.01Å; F543-R695 HydrophobicContact CE2-CG 4.46Å; F543-R695 HydrophobicContact CZ-CB 3.19Å; F543-R695 HydrophobicContact CZ-CG 3.89Å; F543-E696 HydrophobicContact CD1-CG 4.43Å; F543-E696 HydrophobicContact CE1-CG 4.13Å
544I50.5Low54.3Low60 Ų6068 Ų6831%0.30835%0.351SS..Hα-helixtrans-76.4-46.3176.4-65.8168.4000110.9A540 T541 R546 R547 E696A540-I544 WeakPolarHBondContact O-CG1 3.41Å; A540-I544 PolarHBondContact O-N 3.32Å; A540-I544 VanDerWaalsContact O-N 3.1Å; T541-I544 PolarHBondContact O-N 3.03Å; I544-R546 PolarHBondContact O-N 3.49Å; I544-R547 PolarHBondContact O-N 3.21Å; I544-R547 VanDerWaalsContact O-N 3.13Å; I544-E696 HydrophobicContact CG1-CG 4.46Å
545E48.8Very low57.2Low84 Ų8461.3 Ų61.339%0.39332%0.32SS..Hα-helixtrans-57.1-45.4179.8-74.4163.3-156.900112.4T541 R547 R548T541-E545 WeakPolarHBondContact O-CB 3.26Å; T541-E545 VanDerWaalsContact O-CG 3.31Å; T541-E545 WeakPolarHBondContact O-CG 3.38Å; T541-E545 PolarHBondContact O-N 3.26Å; E545-R547 PolarHBondContact O-N 2.99Å; E545-R548 PolarHBondContact O-N 3.06Å; E545-R548 VanDerWaalsContact O-N 3.09Å
546R50.2Low60.1Low143 Ų14354.9 Ų54.954%0.5429%0.286SS..Hα-helixtrans-50.3-32.3176.7-81.6170.4-175.6125.7-3.4113.3T542 I544 T586T542-R546 WeakPolarHBondContact O-CB 3.33Å; T542-R546 WeakPolarHBondContact O-CD 3.21Å; T542-R546 WeakPolarHBondContact O-CG 3.32Å; T542-R546 PolarHBondContact O-N 3.29Å; T542-R546 PolarHBondContact OG1-NH1 2.68Å; I544-R546 PolarHBondContact O-N 3.49Å; R546-T586 HydrophobicContact CB-CG2 4.26Å
547R53.1Low62.6Low15 Ų1553.6 Ų53.66%0.05729%0.285CS..Hα-helixtrans-83.2-29.3-177.1-70.1175.5169.365.25.1114F543 I544 E545 T586 Q649 G650F543-R547 VanDerWaalsContact CE1-CZ 3.46Å; F543-R547 PolarHBondContact O-NH1 3.16Å; I544-R547 PolarHBondContact O-N 3.21Å; I544-R547 VanDerWaalsContact O-N 3.13Å; E545-R547 PolarHBondContact O-N 2.99Å; R547-T586 HydrophobicContact CG-CG2 3.84Å; R547-Q649 PolarHBondContact NH2-O 3.01Å; R547-G650 PolarHBondContact NH2-O 3.18Å
548R56.5Low65.2Low91 Ų9150.2 Ų50.234%0.34326%0.263SS..Hα-helixtrans-78.9-26.6-174.6-67.8-178.6173.5-168.2-2.8112.2D430 E545D430-R548 PolarHBondContact O-NH1 3.27Å; E545-R548 PolarHBondContact O-N 3.06Å; E545-R548 VanDerWaalsContact O-N 3.09Å
549L57.3Low67.6Low75 Ų7550.7 Ų50.739%0.39326%0.264SS..SBendtrans-113.2105.9-166.5-52.5178.5000112.2L437L437-L549 HydrophobicContact CD1-CD1 3.54Å; L437-L549 HydrophobicContact CD1-CD2 3.56Å; L437-L549 HydrophobicContact CD1-CG 4.17Å; L437-L549 HydrophobicContact CD2-CD2 3.47Å; L437-L549 VanDerWaalsContact CD2-CD2 3.47Å; L437-L549 HydrophobicContact CG-CD2 4.13Å
550R71.9Confident70.1Confident170 Ų17058.4 Ų58.464%0.64228%0.282SS*.SBendtrans46.189.8-174.3-87.3-167.7165164-0.9113.7H574R550-H574 WeakPolarHBondContact CD-O 3.39Å; R550-H574 WeakPolarHBondContact CG-O 3.33Å; R550-H574 PolarHBondContact NE-O 3.38Å
551P85.1Confident72.6Confident4 Ų462.6 Ų62.63%0.02631%0.306CS..  trans-61.1146.7-174.927.5-34.9000112.2L553 A575 R576 H587P551-L553 HydrophobicContact CB-CD2 3.98Å; P551-L553 HydrophobicContact CG-CD2 4.34Å; P551-A575 HydrophobicContact CG-CB 3.99Å; P551-A575 VanDerWaalsContact O-CA 3.31Å; P551-A575 WeakPolarHBondContact O-CA 3.21Å; P551-A575 VanDerWaalsContact O-CB 3.28Å; P551-A575 WeakPolarHBondContact O-CB 3.37Å; P551-R576 PolarHBondContact O-N 3.48Å; P551-H587 VanDerWaalsContact CB-CE1 3.42Å; P551-H587 WeakPolarHBondContact CB-CE1 3.31Å; P551-H587 WeakPolarHBondContact CB-ND1 3.28Å
552I90Very high75.1Confident22 Ų2261.1 Ų61.111%0.11330%0.295CS..EExtended strand (participates in β ladder)trans-108.3108.9176.2-59.1-173.9000106.5R576 F578 E584 V585 T586 H587I552-R576 HydrophobicContact CG1-CB 4.27Å; I552-F578 HydrophobicContact CG2-CD2 3.45Å; I552-F578 VanDerWaalsContact CG2-CD2 3.45Å; I552-F578 HydrophobicContact CG2-CE2 3.7Å; I552-F578 HydrophobicContact CG2-CG 4.11Å; I552-E584 HydrophobicContact CD1-CB 4.02Å; I552-E584 WeakPolarHBondContact CD1-O 3.48Å; I552-V585 HydrophobicContact CG2-CG2 4.34Å; I552-T586 PolarHBondContact N-OG1 3.29Å; I552-T586 PolarHBondContact O-N 2.85Å; I552-T586 VanDerWaalsContact O-N 3.12Å; I552-T586 PolarHBondContact O-OG1 3.46Å; I552-H587 PolarHBondContact O-N 3.31Å; I552-H587 VanDerWaalsContact O-N 3.15Å
553L93.8Very high77.4Confident0 Ų061.9 Ų61.90%030%0.295CS..EExtended strand (participates in β ladder)trans-96.7138.2-172.7-46.2-176.8000111.1P551 F566 A570 A575 R576 V577 F578 H587 W658P551-L553 HydrophobicContact CB-CD2 3.98Å; P551-L553 HydrophobicContact CG-CD2 4.34Å; L553-F566 HydrophobicContact CB-CE2 3.77Å; L553-F566 HydrophobicContact CB-CZ 3.54Å; L553-F566 HydrophobicContact CD1-CE2 4.02Å; L553-F566 HydrophobicContact CD1-CZ 4.32Å; L553-A570 HydrophobicContact CD1-CB 3.85Å; L553-A575 HydrophobicContact CD1-CB 3.85Å; L553-A575 HydrophobicContact CD2-CB 4.45Å; L553-A575 HydrophobicContact CG-CB 3.85Å; L553-R576 PolarHBondContact N-O 3.02Å; L553-V577 WeakPolarHBondContact O-CA 3.15Å; L553-F578 PolarHBondContact O-N 3.17Å; L553-H587 CarbonylContact C-O 3.49Å; L553-H587 WeakPolarHBondContact CA-O 3.34Å; L553-H587 HydrophobicContact CD2-CB 3.69Å; L553-W658 HydrophobicContact CD1-CZ3 4.42Å; L553-W658 HydrophobicContact CD2-CH2 4.31Å; L553-W658 HydrophobicContact CD2-CZ3 4.34Å
554L94.6Very high79.6Confident1 Ų164.3 Ų64.31%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-120.7132.8168.4175.663.3000109.7F578 S579 I581 V585 H587 V588 V589 K642L554-F578 VanDerWaalsContact CD1-O 3.3Å; L554-F578 WeakPolarHBondContact CD1-O 3.35Å; L554-S579 WeakPolarHBondContact CD1-O 3.36Å; L554-I581 HydrophobicContact CD2-CB 4.05Å; L554-I581 HydrophobicContact CD2-CD1 3.57Å; L554-I581 HydrophobicContact CD2-CG1 4.42Å; L554-V585 HydrophobicContact CB-CG1 3.74Å; L554-V585 HydrophobicContact CB-CG2 4.45Å; L554-V585 HydrophobicContact CD2-CG1 4.4Å; L554-H587 PolarHBondContact N-O 2.83Å; L554-V588 HydrophobicContact CB-CG2 4.17Å; L554-V588 HydrophobicContact CD2-CG2 4.32Å; L554-V588 CarbonylContact O-C 3.52Å; L554-V588 WeakPolarHBondContact O-CA 3.5Å; L554-V589 PolarHBondContact O-N 2.91Å; L554-K642 HydrophobicContact CD1-CD 4.3Å; L554-K642 HydrophobicContact CD2-CB 4.36Å; L554-K642 HydrophobicContact CD2-CD 4.25Å; L554-K642 HydrophobicContact CD2-CG 4.49Å; L554-K642 HydrophobicContact CG-CD 4.39Å
555G92.8Very high81.7Confident9 Ų963 Ų639%0.09331%0.31CS..EExtended strand (participates in β ladder)trans-88135.9171.700000111.9
556T91.9Very high84Confident10 Ų1059 Ų596%0.06129%0.291CS..EExtended strand (participates in β ladder)trans-134.5134.9168.4-166.20000112.1L558 V588 V589 T590 G591 T640T556-L558 PolarHBondContact O-N 3.43Å; T556-L558 VanDerWaalsContact O-N 3.17Å; T556-V588 HydrophobicContact CG2-CG1 3.78Å; T556-V589 PolarHBondContact N-O 3.12Å; T556-T590 HydrophobicContact CG2-CG2 3.96Å; T556-T590 CarbonylContact O-C 3.04Å; T556-T590 WeakPolarHBondContact O-CA 3.37Å; T556-G591 PolarHBondContact O-N 2.99Å; T556-T640 PolarHBondContact OG1-OG1 3.21Å; T556-T640 VanDerWaalsContact OG1-OG1 3.07Å
557G86.7Confident86.1Confident50 Ų5055.6 Ų55.652%0.51528%0.283SS..SBendtrans66.69.1-179.300000116
558L90.5Very high88.1Confident28 Ų2861.7 Ų61.715%0.14731%0.306CS..  trans-69.7134.2-177.3-57.5-173.8000112T556 Q562 Q563 F566 V589 F656T556-L558 PolarHBondContact O-N 3.43Å; T556-L558 VanDerWaalsContact O-N 3.17Å; L558-Q562 HydrophobicContact CB-CB 4.16Å; L558-Q562 HydrophobicContact CD2-CB 4.36Å; L558-Q563 HydrophobicContact CB-CB 4.37Å; L558-F566 HydrophobicContact CD1-CB 4Å; L558-F566 HydrophobicContact CD1-CD1 4.21Å; L558-F566 HydrophobicContact CD1-CD2 4.13Å; L558-F566 HydrophobicContact CD1-CG 3.88Å; L558-V589 HydrophobicContact CD2-CG1 4.47Å; L558-F656 HydrophobicContact CD2-CD2 3.67Å; L558-F656 HydrophobicContact CD2-CE2 4.02Å
559T91.1Very high89.9Confident71 Ų7157.3 Ų57.344%0.43629%0.29SS..  trans-68162.4166.660.80000111.5T561 Q562 Q563T559-T561 PolarHBondContact O-N 2.89Å; T559-T561 PolarHBondContact OG1-OG1 3.3Å; T559-Q562 PolarHBondContact O-N 3.2Å; T559-Q562 VanDerWaalsContact O-N 3.12Å; T559-Q562 WeakPolarHBondContact OG1-CB 3.39Å; T559-Q562 VanDerWaalsContact OG1-CG 3.24Å; T559-Q562 WeakPolarHBondContact OG1-CG 3.37Å; T559-Q562 PolarHBondContact OG1-N 2.85Å; T559-Q562 PolarHBondContact OG1-OE1 3.45Å; T559-Q563 WeakPolarHBondContact O-CB 3.31Å; T559-Q563 PolarHBondContact O-N 3.06Å
560R90.6Very high91.6Very high234 Ų23453.8 Ų53.888%0.88327%0.271SS*.Hα-helixtrans-59.3-30.8-178.7-171.7176.2-179.8179.40.9113.8S564R560-S564 PolarHBondContact O-N 3.48Å
561T92.7Very high92.6Very high111 Ų11150.3 Ų50.368%0.68127%0.269SS*.Hα-helixtrans-73.5-49.1173.440.30000111.2T559 Q563 S564 L565T559-T561 PolarHBondContact O-N 2.89Å; T559-T561 PolarHBondContact OG1-OG1 3.3Å; T561-Q563 PolarHBondContact O-N 3.41Å; T561-S564 WeakPolarHBondContact O-CB 3.46Å; T561-S564 PolarHBondContact O-N 2.66Å; T561-S564 VanDerWaalsContact O-N 3.15Å; T561-L565 PolarHBondContact O-N 2.82Å; T561-L565 VanDerWaalsContact O-N 3.08Å
562Q94.4Very high92.8Very high26 Ų2653.1 Ų53.112%0.12128%0.283CS..Hα-helixtrans-57-45.2175.2-74.1171.5-52.700112L558 T559 S564 L565 F566 G591 F656L558-Q562 HydrophobicContact CB-CB 4.16Å; L558-Q562 HydrophobicContact CD2-CB 4.36Å; T559-Q562 PolarHBondContact O-N 3.2Å; T559-Q562 VanDerWaalsContact O-N 3.12Å; T559-Q562 WeakPolarHBondContact OG1-CB 3.39Å; T559-Q562 VanDerWaalsContact OG1-CG 3.24Å; T559-Q562 WeakPolarHBondContact OG1-CG 3.37Å; T559-Q562 PolarHBondContact OG1-N 2.85Å; T559-Q562 PolarHBondContact OG1-OE1 3.45Å; Q562-S564 VanDerWaalsContact C-N 3.29Å; Q562-S564 PolarHBondContact O-N 3.36Å; Q562-L565 PolarHBondContact O-N 3.03Å; Q562-L565 VanDerWaalsContact O-N 3.17Å; Q562-F566 VanDerWaalsContact O-CB 3.31Å; Q562-F566 WeakPolarHBondContact O-CB 3.38Å; Q562-F566 PolarHBondContact O-N 3.07Å; Q562-G591 PolarHBondContact NE2-O 3.23Å; Q562-F656 HydrophobicContact CB-CD2 4.13Å; Q562-F656 HydrophobicContact CB-CE1 4.04Å; Q562-F656 HydrophobicContact CB-CE2 3.56Å; Q562-F656 HydrophobicContact CB-CZ 3.52Å; Q562-F656 HydrophobicContact CG-CD1 3.89Å; Q562-F656 HydrophobicContact CG-CD2 4.19Å; Q562-F656 HydrophobicContact CG-CE1 3.61Å; Q562-F656 HydrophobicContact CG-CE2 3.95Å; Q562-F656 HydrophobicContact CG-CG 4.18Å; Q562-F656 HydrophobicContact CG-CZ 3.66Å; Q562-F656 WeakPolarHBondContact O-CZ 3.43Å
563Q94.6Very high92.6Very high64 Ų6453.2 Ų53.230%0.29928%0.283SS..Hα-helixtrans-60.5-36.8177.1-172.767.658.800112.6L558 T559 T561 F566 N567L558-Q563 HydrophobicContact CB-CB 4.37Å; T559-Q563 WeakPolarHBondContact O-CB 3.31Å; T559-Q563 PolarHBondContact O-N 3.06Å; T561-Q563 PolarHBondContact O-N 3.41Å; Q563-F566 VanDerWaalsContact NE2-CD1 3.27Å; Q563-N567 PolarHBondContact NE2-OD1 3.12Å; Q563-N567 WeakPolarHBondContact O-CB 3.36Å; Q563-N567 PolarHBondContact O-N 2.94Å; Q563-N567 PolarHBondContact O-OD1 3.2Å
564S94.9Very high92.3Very high83 Ų8358.9 Ų58.958%0.5831%0.309SS*.Hα-helixtrans-67.1-42.2175.8-169.40000111.6R560 T561 Q562 R568R560-S564 PolarHBondContact O-N 3.48Å; T561-S564 WeakPolarHBondContact O-CB 3.46Å; T561-S564 PolarHBondContact O-N 2.66Å; T561-S564 VanDerWaalsContact O-N 3.15Å; Q562-S564 VanDerWaalsContact C-N 3.29Å; Q562-S564 PolarHBondContact O-N 3.36Å; S564-R568 WeakPolarHBondContact O-CB 3.31Å; S564-R568 PolarHBondContact O-N 2.86Å; S564-R568 VanDerWaalsContact O-N 3.17Å
565L95.4Very high92.1Very high33 Ų3359.5 Ų59.517%0.17332%0.315CS..Hα-helixtrans-66.7-47175.3179.860.5000111.7T561 Q562 N567 R568 V569 F656 I659 E660 A663T561-L565 PolarHBondContact O-N 2.82Å; T561-L565 VanDerWaalsContact O-N 3.08Å; Q562-L565 PolarHBondContact O-N 3.03Å; Q562-L565 VanDerWaalsContact O-N 3.17Å; L565-N567 PolarHBondContact O-N 3.42Å; L565-R568 WeakPolarHBondContact O-CB 3.41Å; L565-R568 PolarHBondContact O-N 3.05Å; L565-R568 VanDerWaalsContact O-N 3.11Å; L565-V569 HydrophobicContact CD1-CG2 4.14Å; L565-V569 HydrophobicContact CG-CG2 4.43Å; L565-V569 WeakPolarHBondContact O-CG2 3.45Å; L565-V569 PolarHBondContact O-N 3.37Å; L565-F656 HydrophobicContact CB-CZ 4.19Å; L565-F656 HydrophobicContact CD2-CE1 3.88Å; L565-F656 HydrophobicContact CD2-CZ 3.97Å; L565-F656 HydrophobicContact CG-CZ 4.28Å; L565-I659 HydrophobicContact CD2-CG2 4.31Å; L565-I659 HydrophobicContact CG-CG2 3.94Å; L565-E660 HydrophobicContact CD2-CG 4.09Å; L565-A663 HydrophobicContact CD1-CB 4.03Å
566F95.9Very high92Very high0 Ų066.4 Ų66.40%034%0.338CS..Hα-helixtrans-55-48.9175.2166.8-89.6000111.8L553 L558 Q562 Q563 R568 V569 A570 V577 V589 F656 I659L553-F566 HydrophobicContact CB-CE2 3.77Å; L553-F566 HydrophobicContact CB-CZ 3.54Å; L553-F566 HydrophobicContact CD1-CE2 4.02Å; L553-F566 HydrophobicContact CD1-CZ 4.32Å; L558-F566 HydrophobicContact CD1-CB 4Å; L558-F566 HydrophobicContact CD1-CD1 4.21Å; L558-F566 HydrophobicContact CD1-CD2 4.13Å; L558-F566 HydrophobicContact CD1-CG 3.88Å; Q562-F566 VanDerWaalsContact O-CB 3.31Å; Q562-F566 WeakPolarHBondContact O-CB 3.38Å; Q562-F566 PolarHBondContact O-N 3.07Å; Q563-F566 VanDerWaalsContact NE2-CD1 3.27Å; F566-R568 VanDerWaalsContact C-N 3.29Å; F566-R568 PolarHBondContact O-N 3.28Å; F566-V569 PolarHBondContact O-N 2.91Å; F566-A570 VanDerWaalsContact O-CB 3.32Å; F566-A570 WeakPolarHBondContact O-CB 3.43Å; F566-A570 PolarHBondContact O-N 3.04Å; F566-V577 HydrophobicContact CE1-CB 4.45Å; F566-V577 HydrophobicContact CE1-CG1 3.73Å; F566-V577 HydrophobicContact CE1-CG2 3.87Å; F566-V577 HydrophobicContact CZ-CG1 4.42Å; F566-V577 HydrophobicContact CZ-CG2 4.34Å; F566-V589 HydrophobicContact CD2-CB 3.99Å; F566-V589 HydrophobicContact CD2-CG1 4.35Å; F566-V589 HydrophobicContact CD2-CG2 4.05Å; F566-V589 HydrophobicContact CE2-CB 3.82Å; F566-V589 HydrophobicContact CE2-CG2 3.75Å; F566-F656 HydrophobicContact CB-CE2 4.26Å; F566-I659 HydrophobicContact CB-CG2 4.42Å; F566-I659 HydrophobicContact CD2-CD1 3.81Å; F566-I659 HydrophobicContact CD2-CG1 4.02Å
567N95.4Very high92Very high71 Ų7168.9 Ų68.938%0.3835%0.353SS..Hα-helixtrans-61.4-36.5176.8-72.1-4.2000112.3Q563 L565 T571Q563-N567 PolarHBondContact NE2-OD1 3.12Å; Q563-N567 WeakPolarHBondContact O-CB 3.36Å; Q563-N567 PolarHBondContact O-N 2.94Å; Q563-N567 PolarHBondContact O-OD1 3.2Å; L565-N567 PolarHBondContact O-N 3.42Å; N567-T571 PolarHBondContact O-N 3.31Å; N567-T571 PolarHBondContact O-OG1 3.02Å
568R94.6Very high92.3Very high142 Ų14269.2 Ų69.254%0.53634%0.34SS..Hα-helixtrans-71.4-37.4176.9-176.1176.769.689.1-5.9112.5S564 L565 F566 T571 M572S564-R568 WeakPolarHBondContact O-CB 3.31Å; S564-R568 PolarHBondContact O-N 2.86Å; S564-R568 VanDerWaalsContact O-N 3.17Å; L565-R568 WeakPolarHBondContact O-CB 3.41Å; L565-R568 PolarHBondContact O-N 3.05Å; L565-R568 VanDerWaalsContact O-N 3.11Å; F566-R568 VanDerWaalsContact C-N 3.29Å; F566-R568 PolarHBondContact O-N 3.28Å; R568-T571 PolarHBondContact O-OG1 2.94Å; R568-T571 VanDerWaalsContact O-OG1 3.11Å; R568-M572 WeakPolarHBondContact O-CB 3.25Å; R568-M572 PolarHBondContact O-N 3.15Å
569V94Very high92.2Very high0 Ų072.6 Ų72.60%037%0.366CS..Hα-helixtrans-72.6-41.2176.4170.40000110.7L565 F566 T571 M572 I573 I659 C662 A663L565-V569 HydrophobicContact CD1-CG2 4.14Å; L565-V569 HydrophobicContact CG-CG2 4.43Å; L565-V569 WeakPolarHBondContact O-CG2 3.45Å; L565-V569 PolarHBondContact O-N 3.37Å; F566-V569 PolarHBondContact O-N 2.91Å; V569-T571 VanDerWaalsContact C-N 3.35Å; V569-T571 PolarHBondContact O-N 3.01Å; V569-M572 HydrophobicContact CG1-CE 4.13Å; V569-M572 HydrophobicContact CG2-CE 4.39Å; V569-M572 WeakPolarHBondContact O-CB 3.3Å; V569-M572 PolarHBondContact O-N 3.43Å; V569-M572 VanDerWaalsContact O-N 3.12Å; V569-I573 HydrophobicContact CG1-CG2 4.5Å; V569-I573 WeakPolarHBondContact O-CG1 3.36Å; V569-I573 PolarHBondContact O-N 3.28Å; V569-I659 HydrophobicContact CB-CD1 4.19Å; V569-I659 HydrophobicContact CB-CG2 4.13Å; V569-I659 HydrophobicContact CG1-CD1 3.77Å; V569-I659 HydrophobicContact CG1-CG2 4.42Å; V569-I659 HydrophobicContact CG2-CG2 3.93Å; V569-C662 HydrophobicContact CG1-CB 3.78Å; V569-A663 HydrophobicContact CG2-CB 3.62Å
570A93.4Very high92Very high0 Ų072.5 Ų72.50%037%0.368CS..Hα-helixtrans-56.3-46176.900000112.4L553 F566 I573 H574 A575 V577L553-A570 HydrophobicContact CD1-CB 3.85Å; F566-A570 VanDerWaalsContact O-CB 3.32Å; F566-A570 WeakPolarHBondContact O-CB 3.43Å; F566-A570 PolarHBondContact O-N 3.04Å; A570-I573 PolarHBondContact O-N 2.94Å; A570-H574 PolarHBondContact O-N 2.84Å; A570-H574 VanDerWaalsContact O-N 3.15Å; A570-A575 HydrophobicContact CB-CB 4.3Å; A570-A575 PolarHBondContact O-N 3.35Å; A570-V577 HydrophobicContact CB-CG2 3.44Å; A570-V577 VanDerWaalsContact CB-CG2 3.44Å
571T91.7Very high91.8Very high98 Ų9863.6 Ų63.660%0.60134%0.338SS*.Hα-helixtrans-67.7-3617751.20000112.7N567 R568 V569 H574N567-T571 PolarHBondContact O-N 3.31Å; N567-T571 PolarHBondContact O-OG1 3.02Å; R568-T571 PolarHBondContact O-OG1 2.94Å; R568-T571 VanDerWaalsContact O-OG1 3.11Å; V569-T571 VanDerWaalsContact C-N 3.35Å; V569-T571 PolarHBondContact O-N 3.01Å; T571-H574 PolarHBondContact O-N 3.05Å; T571-H574 PolarHBondContact O-ND1 3.07Å
572M89.4Confident91.5Very high63 Ų6359.4 Ų59.431%0.3131%0.313SS..Hα-helixtrans-64.6-40.2175.3178.7-170.876.900113R568 V569 H574 C662 K666R568-M572 WeakPolarHBondContact O-CB 3.25Å; R568-M572 PolarHBondContact O-N 3.15Å; V569-M572 HydrophobicContact CG1-CE 4.13Å; V569-M572 HydrophobicContact CG2-CE 4.39Å; V569-M572 WeakPolarHBondContact O-CB 3.3Å; V569-M572 PolarHBondContact O-N 3.43Å; V569-M572 VanDerWaalsContact O-N 3.12Å; M572-H574 VanDerWaalsContact C-N 3.29Å; M572-C662 VanDerWaalsContact CE-O 3.26Å; M572-C662 WeakPolarHBondContact CE-O 3.47Å; M572-K666 HydrophobicContact SD-CB 4.26Å
573I87.2Confident90.9Very high24 Ų2463.6 Ų63.612%0.12334%0.342CS..THydrogen-bonded Turntrans-90.813.1175.872.6174.5000113.2V569 A570 A575 W658 R668V569-I573 HydrophobicContact CG1-CG2 4.5Å; V569-I573 WeakPolarHBondContact O-CG1 3.36Å; V569-I573 PolarHBondContact O-N 3.28Å; A570-I573 PolarHBondContact O-N 2.94Å; I573-A575 HydrophobicContact CD1-CB 4.31Å; I573-A575 HydrophobicContact CG1-CB 3.91Å; I573-A575 PolarHBondContact O-N 3.29Å; I573-A575 VanDerWaalsContact O-N 3.16Å; I573-W658 HydrophobicContact CD1-CH2 3.66Å; I573-W658 HydrophobicContact CD1-CZ2 4.4Å; I573-W658 HydrophobicContact CD1-CZ3 4.31Å; I573-R668 HydrophobicContact CB-CB 4.42Å; I573-R668 HydrophobicContact CG2-CB 4.24Å
574H87.5Confident90.3Very high119 Ų11965.3 Ų65.355%0.55135%0.35SS*.THydrogen-bonded Turntrans54.728.8-179.7-58.5-34.4000115.6R550 A570 T571 M572R550-H574 WeakPolarHBondContact CD-O 3.39Å; R550-H574 WeakPolarHBondContact CG-O 3.33Å; R550-H574 PolarHBondContact NE-O 3.38Å; A570-H574 PolarHBondContact O-N 2.84Å; A570-H574 VanDerWaalsContact O-N 3.15Å; T571-H574 PolarHBondContact O-N 3.05Å; T571-H574 PolarHBondContact O-ND1 3.07Å; M572-H574 VanDerWaalsContact C-N 3.29Å
575A89.4Confident90Very high14 Ų1461.6 Ų61.612%0.11632%0.324CS..  trans-79158.2174.700000112.4P551 L553 A570 I573P551-A575 HydrophobicContact CG-CB 3.99Å; P551-A575 VanDerWaalsContact O-CA 3.31Å; P551-A575 WeakPolarHBondContact O-CA 3.21Å; P551-A575 VanDerWaalsContact O-CB 3.28Å; P551-A575 WeakPolarHBondContact O-CB 3.37Å; L553-A575 HydrophobicContact CD1-CB 3.85Å; L553-A575 HydrophobicContact CD2-CB 4.45Å; L553-A575 HydrophobicContact CG-CB 3.85Å; A570-A575 HydrophobicContact CB-CB 4.3Å; A570-A575 PolarHBondContact O-N 3.35Å; I573-A575 HydrophobicContact CD1-CB 4.31Å; I573-A575 HydrophobicContact CG1-CB 3.91Å; I573-A575 PolarHBondContact O-N 3.29Å; I573-A575 VanDerWaalsContact O-N 3.16Å
576R90.1Very high89.7Confident153 Ų15360.2 Ų60.258%0.57732%0.317SS*.EExtended strand (participates in β ladder)trans-92.4150.5165.5-69.8-179.4171.3177.8-1.7110P551 I552 L553P551-R576 PolarHBondContact O-N 3.48Å; I552-R576 HydrophobicContact CG1-CB 4.27Å; L553-R576 PolarHBondContact N-O 3.02Å
577V93.2Very high89.5Confident62 Ų6260.2 Ų60.238%0.37632%0.317SS..EExtended strand (participates in β ladder)trans-115.9130.4174.7172.70000109.7L553 F566 A570L553-V577 WeakPolarHBondContact O-CA 3.15Å; F566-V577 HydrophobicContact CE1-CB 4.45Å; F566-V577 HydrophobicContact CE1-CG1 3.73Å; F566-V577 HydrophobicContact CE1-CG2 3.87Å; F566-V577 HydrophobicContact CZ-CG1 4.42Å; F566-V577 HydrophobicContact CZ-CG2 4.34Å; A570-V577 HydrophobicContact CB-CG2 3.44Å; A570-V577 VanDerWaalsContact CB-CG2 3.44Å
578F92.4Very high89.5Confident58 Ų5856.9 Ų56.925%0.25430%0.299SS..EExtended strand (participates in β ladder)trans-112155.3172.1-86.6-125.1000110.5I552 L553 L554 E584 V585I552-F578 HydrophobicContact CG2-CD2 3.45Å; I552-F578 VanDerWaalsContact CG2-CD2 3.45Å; I552-F578 HydrophobicContact CG2-CE2 3.7Å; I552-F578 HydrophobicContact CG2-CG 4.11Å; L553-F578 PolarHBondContact O-N 3.17Å; L554-F578 VanDerWaalsContact CD1-O 3.3Å; L554-F578 WeakPolarHBondContact CD1-O 3.35Å; F578-E584 WeakPolarHBondContact CZ-OE2 3.39Å; F578-V585 HydrophobicContact CB-CG2 4.31Å; F578-V585 HydrophobicContact CG-CG2 4.49Å
579S87.5Confident89.5Confident98 Ų9850.1 Ų50.169%0.68527%0.274SS*.SBendtrans-99.1-34.3177.351.30000113.2L554 K642L554-S579 WeakPolarHBondContact CD1-O 3.36Å; S579-K642 PolarHBondContact O-NZ 3.04Å
580S88Confident89.4Confident69 Ų6950.1 Ų50.148%0.48327%0.274SS..SBendtrans-106.7163.1175.552.30000111.6
581I85.8Confident89.1Confident47 Ų4751.1 Ų51.124%0.24128%0.284CS..  trans-75.7139.4170.6-165.970.6000110.1L554 V585 A646L554-I581 HydrophobicContact CD2-CB 4.05Å; L554-I581 HydrophobicContact CD2-CD1 3.57Å; L554-I581 HydrophobicContact CD2-CG1 4.42Å; I581-V585 HydrophobicContact CD1-CB 4.11Å; I581-V585 HydrophobicContact CD1-CG1 4.15Å; I581-V585 HydrophobicContact CD1-CG2 4.39Å; I581-A646 HydrophobicContact CD1-CB 4.49Å
582S86.5Confident88.6Confident24 Ų2447 Ų4717%0.16826%0.26CS..  trans-145.8150179.9162.50000107.7E584 V585S582-E584 PolarHBondContact O-N 2.97Å; S582-E584 PolarHBondContact OG-N 2.89Å; S582-V585 WeakPolarHBondContact O-CB 3.37Å; S582-V585 WeakPolarHBondContact O-CG2 3.32Å; S582-V585 PolarHBondContact O-N 3.16Å
583P81.4Confident88.1Confident113 Ų11348.7 Ų48.773%0.73427%0.27SS*.THydrogen-bonded Turntrans-60.7-10.4172.627.2-36.4000114.1
584E82.5Confident87.4Confident101 Ų10149.5 Ų49.547%0.47227%0.273SS..THydrogen-bonded Turntrans-79-17.5169.6-59.8-169.5149.200113.8I552 F578 S582 T586I552-E584 HydrophobicContact CD1-CB 4.02Å; I552-E584 WeakPolarHBondContact CD1-O 3.48Å; F578-E584 WeakPolarHBondContact CZ-OE2 3.39Å; S582-E584 PolarHBondContact O-N 2.97Å; S582-E584 PolarHBondContact OG-N 2.89Å; E584-T586 PolarHBondContact O-N 3.15Å
585V88.9Confident86Confident4 Ų451.3 Ų51.32%0.02428%0.282CS..  trans-70.5125-176.9176.30000109.8I552 L554 F578 I581 S582 V588 C651I552-V585 HydrophobicContact CG2-CG2 4.34Å; L554-V585 HydrophobicContact CB-CG1 3.74Å; L554-V585 HydrophobicContact CB-CG2 4.45Å; L554-V585 HydrophobicContact CD2-CG1 4.4Å; F578-V585 HydrophobicContact CB-CG2 4.31Å; F578-V585 HydrophobicContact CG-CG2 4.49Å; I581-V585 HydrophobicContact CD1-CB 4.11Å; I581-V585 HydrophobicContact CD1-CG1 4.15Å; I581-V585 HydrophobicContact CD1-CG2 4.39Å; S582-V585 WeakPolarHBondContact O-CB 3.37Å; S582-V585 WeakPolarHBondContact O-CG2 3.32Å; S582-V585 PolarHBondContact O-N 3.16Å; V585-V588 HydrophobicContact CG1-CG2 3.88Å; V585-C651 PolarHBondContact O-SG 3.16Å
586T89.1Confident84Confident5 Ų557.5 Ų57.53%0.03131%0.312CS..  trans-107.9-25.6-176.743.50000113.2R546 R547 I552 E584 W652R546-T586 HydrophobicContact CB-CG2 4.26Å; R547-T586 HydrophobicContact CG-CG2 3.84Å; I552-T586 PolarHBondContact N-OG1 3.29Å; I552-T586 PolarHBondContact O-N 2.85Å; I552-T586 VanDerWaalsContact O-N 3.12Å; I552-T586 PolarHBondContact O-OG1 3.46Å; E584-T586 PolarHBondContact O-N 3.15Å; T586-W652 PolarHBondContact O-N 2.87Å
587H92.3Very high81.4Confident0 Ų054.3 Ų54.30%031%0.314CS..EExtended strand (participates in β ladder)trans-138.1135.8-177.2-52.365.7000110P551 I552 L553 L554 W652 R668 E671P551-H587 VanDerWaalsContact CB-CE1 3.42Å; P551-H587 WeakPolarHBondContact CB-CE1 3.31Å; P551-H587 WeakPolarHBondContact CB-ND1 3.28Å; I552-H587 PolarHBondContact O-N 3.31Å; I552-H587 VanDerWaalsContact O-N 3.15Å; L553-H587 CarbonylContact C-O 3.49Å; L553-H587 WeakPolarHBondContact CA-O 3.34Å; L553-H587 HydrophobicContact CD2-CB 3.69Å; L554-H587 PolarHBondContact N-O 2.83Å; H587-W652 CarbonylContact C-O 3.59Å; H587-W652 WeakPolarHBondContact CA-O 3.43Å; H587-W652 HydrophobicContact CB-CB 4.27Å; H587-W652 AromaticContact CD2-CD1 3.51Å; H587-W652 AromaticContact CD2-CG 3.75Å; H587-W652 AromaticContact CE1-CD1 3.91Å; H587-W652 AromaticContact NE2-CD1 3.3Å; H587-W652 VanDerWaalsContact NE2-CD1 3.3Å; H587-W652 AromaticContact NE2-CG 3.99Å; H587-W652 AromaticContact NE2-NE1 3.94Å; H587-R668 PolarHBondContact NE2-NH2 3.18Å; H587-E671 IonicContact CD2-OE1 2.79Å; H587-E671 IonicContact NE2-OE1 2.69Å
588V94.2Very high78.4Confident0 Ų056.8 Ų56.80%033%0.334CS..EExtended strand (participates in β ladder)trans-122.8115.6176.7-1760000108.7L554 T556 V585 A646 C651 W652 I653 L654L554-V588 HydrophobicContact CB-CG2 4.17Å; L554-V588 HydrophobicContact CD2-CG2 4.32Å; L554-V588 CarbonylContact O-C 3.52Å; L554-V588 WeakPolarHBondContact O-CA 3.5Å; T556-V588 HydrophobicContact CG2-CG1 3.78Å; V585-V588 HydrophobicContact CG1-CG2 3.88Å; V588-A646 HydrophobicContact CB-CB 4.17Å; V588-A646 HydrophobicContact CG2-CB 3.5Å; V588-C651 HydrophobicContact CG2-CB 4.28Å; V588-W652 PolarHBondContact N-O 2.87Å; V588-I653 WeakPolarHBondContact O-CA 3.17Å; V588-L654 PolarHBondContact O-N 3.36Å
589V94.7Very high75.5Confident0 Ų060.7 Ų60.70%036%0.357CS..EExtended strand (participates in β ladder)trans-92.7122.7176.9-178.50000108.6L554 T556 L558 F566 F656 W658 I659L554-V589 PolarHBondContact O-N 2.91Å; T556-V589 PolarHBondContact N-O 3.12Å; L558-V589 HydrophobicContact CD2-CG1 4.47Å; F566-V589 HydrophobicContact CD2-CB 3.99Å; F566-V589 HydrophobicContact CD2-CG1 4.35Å; F566-V589 HydrophobicContact CD2-CG2 4.05Å; F566-V589 HydrophobicContact CE2-CB 3.82Å; F566-V589 HydrophobicContact CE2-CG2 3.75Å; V589-F656 HydrophobicContact CG1-CD2 3.96Å; V589-W658 HydrophobicContact CG2-CE3 4.14Å; V589-W658 HydrophobicContact CG2-CZ3 4.29Å; V589-I659 HydrophobicContact CB-CG1 4.47Å; V589-I659 HydrophobicContact CG1-CG1 3.79Å; V589-I659 HydrophobicContact CG2-CD1 4.24Å; V589-I659 HydrophobicContact CG2-CG1 4.04Å
590T92.5Very high72.7Confident1 Ų163.3 Ų63.31%0.00637%0.368CS..EExtended strand (participates in β ladder)trans-88.5159.5176.670.10000110.9T556 A592 C637 I653 L654 F656 V676T556-T590 HydrophobicContact CG2-CG2 3.96Å; T556-T590 CarbonylContact O-C 3.04Å; T556-T590 WeakPolarHBondContact O-CA 3.37Å; T590-A592 PolarHBondContact O-N 2.85Å; T590-C637 HydrophobicContact CG2-CB 3.82Å; T590-I653 HydrophobicContact CG2-CG2 3.61Å; T590-L654 PolarHBondContact N-O 2.85Å; T590-L654 PolarHBondContact OG1-O 3.37Å; T590-F656 PolarHBondContact O-N 3.2Å; T590-V676 HydrophobicContact CG2-CG2 4.2Å
591G86.5Confident70Confident21 Ų2165.4 Ų65.422%0.21638%0.378CS..SBendtrans-77.92.1171.700000114.9T556 Q562T556-G591 PolarHBondContact O-N 2.99Å; Q562-G591 PolarHBondContact NE2-O 3.23Å
592A82.5Confident67.2Low12 Ų1270 Ų7010%0.09940%0.403CS..  trans-73.2148.1178.400000110.9T590 T636 C637 F656T590-A592 PolarHBondContact O-N 2.85Å; A592-T636 WeakPolarHBondContact CB-O 3.39Å; A592-C637 HydrophobicContact CB-CB 4.19Å; A592-F656 WeakPolarHBondContact O-CB 3.49Å; A592-F656 PolarHBondContact O-N 3.33Å
593L77.1Confident64.2Low97 Ų9778.1 Ų78.151%0.50844%0.438SS..  trans-108.5153.3169.6-63.7169.4000108.5F656 D657L593-F656 HydrophobicContact CD2-CB 4.03Å; L593-F656 HydrophobicContact CD2-CD1 4.38Å; L593-D657 WeakPolarHBondContact CA-OD2 3.26Å; L593-D657 VanDerWaalsContact CD2-OD1 3.3Å; L593-D657 WeakPolarHBondContact CD2-OD1 3.49Å
594Q73.1Confident61.5Low41 Ų4180.9 Ų80.919%0.19244%0.442CS..  trans-83.3117.4178-167.7170.335.100110.1L596 G633 A635 D657Q594-L596 PolarHBondContact O-N 3.32Å; Q594-G633 VanDerWaalsContact CG-C 3.5Å; Q594-G633 VanDerWaalsContact CG-O 3.25Å; Q594-G633 WeakPolarHBondContact CG-O 3.31Å; Q594-G633 PolarHBondContact NE2-O 2.76Å; Q594-A635 HydrophobicContact CB-CB 4.33Å; Q594-A635 HydrophobicContact CG-CB 4.43Å; Q594-D657 WeakPolarHBondContact CB-OD2 3.39Å; Q594-D657 PolarHBondContact N-OD2 3.3Å
595E57.3Low58.8Low158 Ų15881.8 Ų81.874%0.73846%0.459SS*.BIsolated β-bridgetrans-72.193.7173.8-69.2-169-177.500109.5S597 G633 Q634E595-S597 PolarHBondContact O-N 3.22Å; E595-G633 WeakPolarHBondContact O-CA 3.47Å; E595-Q634 PolarHBondContact N-O 2.68Å; E595-Q634 PolarHBondContact O-N 3.39Å
596L48.7Very low56Low143 Ų14388.7 Ų88.775%0.74950%0.501SS*.  trans-64.7113.8164.7-65175.3000108.2Q594 S598Q594-L596 PolarHBondContact O-N 3.32Å; L596-S598 PolarHBondContact O-N 2.76Å; L596-S598 VanDerWaalsContact O-N 3.08Å
597S35.7Very low52.9Low87 Ų8795.5 Ų95.561%0.60854%0.537SS*.  trans-58.5113.6170.252.60000109E595 D599E595-S597 PolarHBondContact O-N 3.22Å; S597-D599 PolarHBondContact O-N 2.8Å
598S30.6Very low49.9Very low114 Ų114104.4 Ų104.480%0.79758%0.576SS**  trans-55.6130.718055.50000110.8L596L596-S598 PolarHBondContact O-N 2.76Å; L596-S598 VanDerWaalsContact O-N 3.08Å
599D31Very low46.7Very low140 Ų140110.5 Ų110.575%0.74961%0.614SS**  trans-52.8146.8-167.1-61.1-74.6000114.6S597 V601S597-D599 PolarHBondContact O-N 2.8Å; D599-V601 HydrophobicContact CB-CG2 3.8Å; D599-V601 PolarHBondContact O-N 3.17Å
600V28.2Very low43.7Very low152 Ų152120.2 Ų120.292%0.92166%0.656SS**  trans-66.1101.2158.6176.40000107.5
601V31.8Very low40.5Very low114 Ų114129.2 Ų129.269%0.69170%0.695SS**  trans-116.3100.5171.8-173.30000108.8D599D599-V601 HydrophobicContact CB-CG2 3.8Å; D599-V601 PolarHBondContact O-N 3.17Å
602D25.9Very low37.6Very low143 Ų143135 Ų13577%0.76572%0.72SS**  trans29116.9157.2-53.7-36.4000119E604D602-E604 PolarHBondContact O-N 3.34Å
603E23.2Very low35.1Very low194 Ų194142 Ų14291%0.90776%0.757SS**  trans-61.4125.9153.4-70-160.9136.800109.8
604E25.3Very low32.6Very low171 Ų171147.2 Ų147.280%0.79978%0.775SS**  162.292.6129.3-88.1-159.7147.100112D602D602-E604 PolarHBondContact O-N 3.34Å
605S25.7Very low30.7Very low121 Ų121150.7 Ų150.785%0.84680%0.804SS**SBendtrans-163.67.9155.151.10000118
606V30.7Very low29.5Very low148 Ų148152.7 Ų152.790%0.89781%0.81SS**  trans-118.541.9173.9-160.10000112.4K608V606-K608 PolarHBondContact O-N 3.11Å
607N24.8Very low28.3Very low148 Ų148156.9 Ų156.979%0.79182%0.816SS**  trans-92.883.8-177.9-146.6-21.6000111.9
608K29.1Very low27.8Very low187 Ų187159.4 Ų159.481%0.81382%0.823SS**  trans-156.1100.7168.2-117164.1-169.6170.60114.3V606V606-K608 PolarHBondContact O-N 3.11Å
609T27Very low27.7Very low129 Ų129159.6 Ų159.679%0.79182%0.824SS**  trans64.8127.1165.869.50000116.1
610K30.2Very low27.3Very low204 Ų204164.3 Ų164.389%0.88783%0.831SS**  cis-135.7175.633.5-72175.4177.9172.70113.6
611K26.4Very low27.2Very low189 Ų189162.7 Ų162.782%0.82283%0.827SS**  trans-95.4167.2-172.1-58.2177.9175.9178.30113.7
612N25.1Very low26.8Very low142 Ų142164.3 Ų164.376%0.75983%0.831SS**  trans74.9134.5161.5-56.4-13.2000115
613N30.7Very low26.9Very low161 Ų161166.6 Ų166.686%0.86183%0.834SS**  cis-140171.135.4-96-41.9000115.4
614K24.9Very low27Very low205 Ų205164.2 Ų164.289%0.89183%0.827SS**  trans-105.4140.1174.5-68.3175175.4175.10112.2
615S33.2Very low26.9Very low114 Ų114164 Ų16480%0.79783%0.832SS**  trans-162111.415250.30000114.2
616K30.7Very low26.9Very low200 Ų200166 Ų16687%0.8783%0.833SS**  trans35.2123.3145.3-62.8172.5-177.8175.60119.1
617R24.8Very low26.6Very low231 Ų231167.9 Ų167.987%0.87283%0.832SS**  57.9133.675.4-81.8-169.8177.9171.6-1.6113.1
618N24.7Very low26.7Very low141 Ų141168.9 Ų168.975%0.75484%0.836SS**  cis-114.8-159.55.6-79.8-27.7000109.4
619S29.2Very low26.5Very low118 Ų118167.9 Ų167.983%0.82584%0.839SS**  cis-148.6-15918.5-65.30000112.3
620R22.9Very low26.5Very low238 Ų238166.7 Ų166.790%0.89884%0.836SS**  trans-126.8148.5-178.1-67.1170.1170.1146.9-7.8112
621S26Very low26.4Very low119 Ų119162.1 Ų162.183%0.83283%0.83SS**  trans-151.2127.4136.9-171.90000107.9
622L23.4Very low27.2Very low148 Ų148158.8 Ų158.878%0.77582%0.821SS**  trans-94.9137.9171.1-70.689.3000108.8
623K27.8Very low28.3Very low191 Ų191152.5 Ų152.583%0.8379%0.79SS**  trans-164.6126.1151.8-112.1161.6-174.8-178.20112.5
624N25Very low30Very low143 Ų143149.8 Ų149.877%0.76577%0.772SS**  trans62.985.3153.3-58.813.1000118.4N626N624-N626 PolarHBondContact O-N 2.84Å; N624-N626 VanDerWaalsContact O-N 3.17Å
625D23.2Very low31.9Very low166 Ų166140.1 Ų140.189%0.88873%0.731SS**  trans-66101.8157.7-47.6-86.1000110.5
626N24.7Very low33.8Very low164 Ų164137.9 Ų137.988%0.87771%0.712SS**  trans-161.414.3166.7-122.3-8.3000115.7N624N624-N626 PolarHBondContact O-N 2.84Å; N624-N626 VanDerWaalsContact O-N 3.17Å
627E25.7Very low36.2Very low188 Ų188128.5 Ų128.588%0.87967%0.672SS**  trans-112.919.9-168.7-154.9163.9-137.900113.7L629E627-L629 PolarHBondContact O-N 2.92Å
628L25.4Very low39Very low168 Ų168120.3 Ų120.388%0.8865%0.648SS**  trans-100.630.2-167.8-140.6123.7000114.7
629L25.6Very low42Very low167 Ų167115.1 Ų115.187%0.87462%0.618SS**SBendtrans-13130.4-179.5-78.3174.1000113.1E627E627-L629 PolarHBondContact O-N 2.92Å
630S26.7Very low44.8Very low104 Ų104110 Ų11073%0.72758%0.582SS**  trans-146.331.9-178.3-71.10000115N632S630-N632 PolarHBondContact O-N 2.86Å
631S28.9Very low48Very low107 Ų107100.3 Ų100.375%0.74855%0.548SS*.  trans-76.646.2163.962.30000112.1
632N42.3Very low51.2Low119 Ų11996.7 Ų96.764%0.63652%0.517SS*.PPolyproline II helixtrans-75.3132.1171.3-74.46000108.4S630S630-N632 PolarHBondContact O-N 2.86Å
633G49.6Very low54.5Low11 Ų1189.7 Ų89.711%0.11348%0.48CS..PPolyproline II helixtrans-56.6140.3-173.600000112.4Q594 E595Q594-G633 VanDerWaalsContact CG-C 3.5Å; Q594-G633 VanDerWaalsContact CG-O 3.25Å; Q594-G633 WeakPolarHBondContact CG-O 3.31Å; Q594-G633 PolarHBondContact NE2-O 2.76Å; E595-G633 WeakPolarHBondContact O-CA 3.47Å
634Q64.7Low57.6Low104 Ų10480.6 Ų80.649%0.48644%0.441SS..BIsolated β-bridgetrans-81.9129.5-174.1-63.8-178.916.600109.9E595 M684E595-Q634 PolarHBondContact N-O 2.68Å; E595-Q634 PolarHBondContact O-N 3.39Å; Q634-M684 HydrophobicContact CG-CE 4.38Å; Q634-M684 HydrophobicContact CG-SD 4.07Å
635A65.3Low60.8Low2 Ų274 Ų742%0.01741%0.406CS..  trans-127.3105.5176.400000108.2Q594 V676 T677Q594-A635 HydrophobicContact CB-CB 4.33Å; Q594-A635 HydrophobicContact CG-CB 4.43Å; A635-V676 WeakPolarHBondContact O-CG1 3.32Å; A635-T677 PolarHBondContact O-N 2.94Å; A635-T677 PolarHBondContact O-OG1 2.89Å
636T73.4Confident64.2Low67 Ų6766.1 Ų66.141%0.41136%0.364SS..EExtended strand (participates in β ladder)trans-110.4128.7-179.166.60000110A592 P683A592-T636 WeakPolarHBondContact CB-O 3.39Å; T636-P683 HydrophobicContact CG2-CB 3.5Å
637C82.1Confident67.4Low3 Ų358.3 Ų58.32%0.0232%0.322CS..EExtended strand (participates in β ladder)trans-106.1151.2-177.271.90000112.8T590 A592 R639 F643 V676 G678 C679 S680T590-C637 HydrophobicContact CG2-CB 3.82Å; A592-C637 HydrophobicContact CB-CB 4.19Å; C637-R639 PolarHBondContact O-N 3.32Å; C637-F643 WeakPolarHBondContact SG-CD2 3.43Å; C637-F643 WeakPolarHBondContact SG-CE2 3.4Å; C637-V676 HydrophobicContact CB-CG1 4.33Å; C637-G678 PolarHBondContact N-O 2.7Å; C637-C679 CarbonylContact O-C 3.54Å; C637-C679 WeakPolarHBondContact O-CA 3.38Å; C637-C679 WeakPolarHBondContact O-CB 3.46Å; C637-S680 PolarHBondContact O-N 2.82Å
638P83Confident70.6Confident58 Ų5849.4 Ų49.438%0.37728%0.28SS..  trans-61.1138.6174.226.1-34.7000111.3T640P638-T640 PolarHBondContact O-N 3.11Å
639R87.2Confident73.6Confident33 Ų3343 Ų4313%0.12525%0.246CC..  trans-61.499.1177.5-171-178.7-168.3171.68.9111.2C637 L644 S680 L860 D861C637-R639 PolarHBondContact O-N 3.32Å; R639-L644 HydrophobicContact CG-CD1 4.49Å; R639-S680 PolarHBondContact N-OG 2.9Å; R639-L860 VanDerWaalsContact NH2-CB 3.29Å; R639-L860 PolarHBondContact NH2-O 3.41Å; R639-D861 IonicContact CZ-OD1 3.8Å; R639-D861 IonicContact NH1-OD1 3.87Å; R639-D861 PolarHBondContact NH1-OD1 3.44Å; R639-D861 VanDerWaalsContact NH2-CA 3.32Å; R639-D861 IonicContact NH2-OD1 2.7Å; R639-D861 PolarHBondContact NH2-OD1 2.87Å
640T89Confident76.7Confident10 Ų1035 Ų356%0.06120%0.204CC..  trans-118.2149.6179.156.30000111T556 P638 K642 F643 L644T556-T640 PolarHBondContact OG1-OG1 3.21Å; T556-T640 VanDerWaalsContact OG1-OG1 3.07Å; P638-T640 PolarHBondContact O-N 3.11Å; T640-K642 PolarHBondContact O-N 3.48Å; T640-F643 WeakPolarHBondContact O-CB 3.45Å; T640-F643 PolarHBondContact O-N 3.21Å; T640-F643 WeakPolarHBondContact OG1-CB 3.44Å; T640-F643 PolarHBondContact OG1-N 3.06Å; T640-L644 PolarHBondContact O-N 3.17Å
641L89.6Confident79.7Confident34 Ų3430.1 Ų30.118%0.17817%0.17CC..Hα-helixtrans-58.2-36.4175.3-175.674.4000112F643 L644 S645 P719 E723 L727L641-F643 PolarHBondContact O-N 2.97Å; L641-L644 PolarHBondContact O-N 2.92Å; L641-S645 WeakPolarHBondContact O-CB 3.45Å; L641-S645 PolarHBondContact O-N 3.31Å; L641-S645 PolarHBondContact O-OG 3.04Å; L641-P719 HydrophobicContact CD1-CB 4.35Å; L641-P719 HydrophobicContact CD1-CG 4.29Å; L641-E723 HydrophobicContact CD2-CB 3.59Å; L641-E723 HydrophobicContact CD2-CG 3.59Å; L641-E723 VanDerWaalsContact CD2-OE1 3.28Å; L641-E723 WeakPolarHBondContact CD2-OE1 3.2Å; L641-L727 HydrophobicContact CD1-CD1 4.33Å; L641-L727 HydrophobicContact CD1-CD2 4.24Å
642K92.2Very high82.6Confident44 Ų4426.2 Ų26.219%0.19114%0.139CC..Hα-helixtrans-60.4-42.1174-61-172.6-169.6-173.50111.6L554 S579 T640 A646L554-K642 HydrophobicContact CD1-CD 4.3Å; L554-K642 HydrophobicContact CD2-CB 4.36Å; L554-K642 HydrophobicContact CD2-CD 4.25Å; L554-K642 HydrophobicContact CD2-CG 4.49Å; L554-K642 HydrophobicContact CG-CD 4.39Å; S579-K642 PolarHBondContact O-NZ 3.04Å; T640-K642 PolarHBondContact O-N 3.48Å; K642-A646 VanDerWaalsContact O-CB 3.25Å; K642-A646 WeakPolarHBondContact O-CB 3.15Å; K642-A646 PolarHBondContact O-N 3.14Å; K642-A646 VanDerWaalsContact O-N 3.07Å
643F92.7Very high85Confident0 Ų020.6 Ų20.60%011%0.109CC..Hα-helixtrans-63.2-53.6173.8170.1-91.9000111.7C637 T640 L641 S645 A646 V647 I653 V676 C679 P688C637-F643 WeakPolarHBondContact SG-CD2 3.43Å; C637-F643 WeakPolarHBondContact SG-CE2 3.4Å; T640-F643 WeakPolarHBondContact O-CB 3.45Å; T640-F643 PolarHBondContact O-N 3.21Å; T640-F643 WeakPolarHBondContact OG1-CB 3.44Å; T640-F643 PolarHBondContact OG1-N 3.06Å; L641-F643 PolarHBondContact O-N 2.97Å; F643-S645 VanDerWaalsContact C-N 3.27Å; F643-S645 PolarHBondContact O-N 2.87Å; F643-A646 WeakPolarHBondContact O-CB 3.24Å; F643-A646 PolarHBondContact O-N 3.21Å; F643-V647 HydrophobicContact CD1-CG2 4.2Å; F643-V647 HydrophobicContact CD2-CG2 4.4Å; F643-V647 HydrophobicContact CE1-CG2 3.73Å; F643-V647 HydrophobicContact CE2-CG2 3.97Å; F643-V647 HydrophobicContact CZ-CG2 3.61Å; F643-V647 WeakPolarHBondContact O-CG2 3.42Å; F643-V647 PolarHBondContact O-N 3.15Å; F643-I653 HydrophobicContact CD2-CD1 3.74Å; F643-I653 HydrophobicContact CD2-CG2 3.85Å; F643-I653 HydrophobicContact CE2-CD1 3.79Å; F643-I653 HydrophobicContact CE2-CG2 3.98Å; F643-V676 HydrophobicContact CE2-CG1 4.27Å; F643-C679 HydrophobicContact CD1-CB 4.04Å; F643-C679 HydrophobicContact CE1-CB 3.57Å; F643-C679 HydrophobicContact CZ-CB 3.85Å; F643-P688 HydrophobicContact CE2-CG 3.95Å; F643-P688 HydrophobicContact CZ-CG 4.08Å
644L93.6Very high87.1Confident0 Ų020 Ų200%010%0.103CC..Hα-helixtrans-59.6-39.7-177.8-61.9174.6000111.8R639 T640 L641 V647 L648 L727 L860 A863 A864R639-L644 HydrophobicContact CG-CD1 4.49Å; T640-L644 PolarHBondContact O-N 3.17Å; L641-L644 PolarHBondContact O-N 2.92Å; L644-V647 PolarHBondContact O-N 2.91Å; L644-L648 WeakPolarHBondContact O-CG 3.22Å; L644-L648 PolarHBondContact O-N 2.82Å; L644-L648 VanDerWaalsContact O-N 3.14Å; L644-L727 HydrophobicContact CB-CD1 3.92Å; L644-L860 HydrophobicContact CD1-CB 4.16Å; L644-L860 HydrophobicContact CD1-CD2 4.02Å; L644-A863 HydrophobicContact CB-CB 4.29Å; L644-A863 HydrophobicContact CD2-CB 4.12Å; L644-A864 HydrophobicContact CD2-CB 3.91Å
645S93Very high88.4Confident6 Ų615.1 Ų15.14%0.0428%0.08CC..Hα-helixtrans-65.1-40.3175.8-55.20000112.3L641 F643 L648 Q649 L727L641-S645 WeakPolarHBondContact O-CB 3.45Å; L641-S645 PolarHBondContact O-N 3.31Å; L641-S645 PolarHBondContact O-OG 3.04Å; F643-S645 VanDerWaalsContact C-N 3.27Å; F643-S645 PolarHBondContact O-N 2.87Å; S645-L648 PolarHBondContact O-N 2.85Å; S645-Q649 WeakPolarHBondContact O-CB 3.48Å; S645-Q649 VanDerWaalsContact O-CG 3.3Å; S645-Q649 WeakPolarHBondContact O-CG 3.38Å; S645-Q649 PolarHBondContact O-N 2.82Å; S645-L727 WeakPolarHBondContact OG-CD1 3.46Å
646A93Very high89.8Confident0 Ų015 Ų150%08%0.08CC..Hα-helixtrans-68-37.6178.200000112.6I581 V588 K642 F643 Q649 G650 C651 I653I581-A646 HydrophobicContact CD1-CB 4.49Å; V588-A646 HydrophobicContact CB-CB 4.17Å; V588-A646 HydrophobicContact CG2-CB 3.5Å; K642-A646 VanDerWaalsContact O-CB 3.25Å; K642-A646 WeakPolarHBondContact O-CB 3.15Å; K642-A646 PolarHBondContact O-N 3.14Å; K642-A646 VanDerWaalsContact O-N 3.07Å; F643-A646 WeakPolarHBondContact O-CB 3.24Å; F643-A646 PolarHBondContact O-N 3.21Å; A646-Q649 PolarHBondContact O-N 2.97Å; A646-G650 PolarHBondContact O-N 3.07Å; A646-C651 HydrophobicContact CB-CB 4.04Å; A646-C651 PolarHBondContact O-N 2.92Å; A646-I653 HydrophobicContact CB-CD1 3.76Å; A646-I653 HydrophobicContact CB-CG1 4.13Å
647V93.1Very high90.6Very high0 Ų013.4 Ų13.40%07%0.068CC..Hα-helixtrans-60.5-52.1172.4175.40000109.3F643 L644 Q649 G650 I653 A687 P688 A691 Y866F643-V647 HydrophobicContact CD1-CG2 4.2Å; F643-V647 HydrophobicContact CD2-CG2 4.4Å; F643-V647 HydrophobicContact CE1-CG2 3.73Å; F643-V647 HydrophobicContact CE2-CG2 3.97Å; F643-V647 HydrophobicContact CZ-CG2 3.61Å; F643-V647 WeakPolarHBondContact O-CG2 3.42Å; F643-V647 PolarHBondContact O-N 3.15Å; L644-V647 PolarHBondContact O-N 2.91Å; V647-Q649 VanDerWaalsContact C-N 3.25Å; V647-Q649 PolarHBondContact O-N 2.9Å; V647-G650 WeakPolarHBondContact O-CA 2.99Å; V647-G650 PolarHBondContact O-N 2.84Å; V647-I653 HydrophobicContact CB-CD1 4.4Å; V647-I653 HydrophobicContact CG2-CD1 3.45Å; V647-I653 VanDerWaalsContact CG2-CD1 3.45Å; V647-A687 HydrophobicContact CG1-CB 4.2Å; V647-P688 HydrophobicContact CG2-CG 4.2Å; V647-A691 HydrophobicContact CG1-CB 3.79Å; V647-A691 WeakPolarHBondContact O-CB 3.33Å; V647-Y866 HydrophobicContact CG1-CD2 3.78Å; V647-Y866 HydrophobicContact CG1-CG 4.24Å
648L91.8Very high91.1Very high0 Ų013.2 Ų13.20%07%0.067CC..Hα-helixtrans-62.6-30.1-178.8-67.5176.1000113.7L644 S645 G650 R695 L702 F703 L727 S730 A863 Y866L644-L648 WeakPolarHBondContact O-CG 3.22Å; L644-L648 PolarHBondContact O-N 2.82Å; L644-L648 VanDerWaalsContact O-N 3.14Å; S645-L648 PolarHBondContact O-N 2.85Å; L648-G650 VanDerWaalsContact C-N 3.32Å; L648-R695 PolarHBondContact O-NE 3.44Å; L648-R695 PolarHBondContact O-NH2 3.08Å; L648-L702 HydrophobicContact CD2-CB 4Å; L648-L702 HydrophobicContact CD2-CD2 3.95Å; L648-F703 HydrophobicContact CD1-CD2 4.46Å; L648-F703 HydrophobicContact CD1-CE2 3.81Å; L648-F703 HydrophobicContact CD2-CD2 4.42Å; L648-F703 HydrophobicContact CD2-CE2 3.88Å; L648-F703 HydrophobicContact CD2-CZ 4.37Å; L648-L727 HydrophobicContact CD1-CD1 3.68Å; L648-L727 HydrophobicContact CD1-CG 3.81Å; L648-L727 VanDerWaalsContact CD1-O 3.31Å; L648-L727 WeakPolarHBondContact CD1-O 3.47Å; L648-S730 CarbonylContact C-O 3.59Å; L648-A863 HydrophobicContact CD1-CB 3.97Å; L648-A863 HydrophobicContact CD2-CB 4.13Å; L648-A863 HydrophobicContact CG-CB 4.08Å; L648-Y866 HydrophobicContact CD2-CD2 4.23Å; L648-Y866 HydrophobicContact CD2-CE2 4.22Å
649Q89.2Confident91.7Very high34 Ų3410.5 Ų10.516%0.1595%0.049CC..THydrogen-bonded Turntrans-80.1-7.1171.9-70.4174.8-16.400114F543 R547 S645 A646 V647 C651F543-Q649 WeakPolarHBondContact CE2-O 3.39Å; F543-Q649 WeakPolarHBondContact CZ-O 3.49Å; R547-Q649 PolarHBondContact NH2-O 3.01Å; S645-Q649 WeakPolarHBondContact O-CB 3.48Å; S645-Q649 VanDerWaalsContact O-CG 3.3Å; S645-Q649 WeakPolarHBondContact O-CG 3.38Å; S645-Q649 PolarHBondContact O-N 2.82Å; A646-Q649 PolarHBondContact O-N 2.97Å; V647-Q649 VanDerWaalsContact C-N 3.25Å; V647-Q649 PolarHBondContact O-N 2.9Å; Q649-C651 PolarHBondContact O-N 3.13Å
650G89.5Confident91.9Very high0 Ų013.4 Ų13.40%06%0.064CC..THydrogen-bonded Turntrans62.527-175.400000113.6R547 A646 V647 L648R547-G650 PolarHBondContact NH2-O 3.18Å; A646-G650 PolarHBondContact O-N 3.07Å; V647-G650 WeakPolarHBondContact O-CA 2.99Å; V647-G650 PolarHBondContact O-N 2.84Å; L648-G650 VanDerWaalsContact C-N 3.32Å
651C89.6Confident92Very high1 Ų114.8 Ų14.81%0.0077%0.073CC..  trans-61.2154.5175.1-56.50000110.3V585 V588 A646 Q649 I653V585-C651 PolarHBondContact O-SG 3.16Å; V588-C651 HydrophobicContact CG2-CB 4.28Å; A646-C651 HydrophobicContact CB-CB 4.04Å; A646-C651 PolarHBondContact O-N 2.92Å; Q649-C651 PolarHBondContact O-N 3.13Å; C651-I653 PolarHBondContact O-N 3.33Å
652W91.1Very high92.1Very high25 Ų2513.2 Ų13.210%0.0956%0.064CC..EExtended strand (participates in β ladder)trans-61129.6162.1-74.2104.3000109T586 H587 V588 L654 E671 E672 R692T586-W652 PolarHBondContact O-N 2.87Å; H587-W652 CarbonylContact C-O 3.59Å; H587-W652 WeakPolarHBondContact CA-O 3.43Å; H587-W652 HydrophobicContact CB-CB 4.27Å; H587-W652 AromaticContact CD2-CD1 3.51Å; H587-W652 AromaticContact CD2-CG 3.75Å; H587-W652 AromaticContact CE1-CD1 3.91Å; H587-W652 AromaticContact NE2-CD1 3.3Å; H587-W652 VanDerWaalsContact NE2-CD1 3.3Å; H587-W652 AromaticContact NE2-CG 3.99Å; H587-W652 AromaticContact NE2-NE1 3.94Å; V588-W652 PolarHBondContact N-O 2.87Å; W652-L654 HydrophobicContact CB-CD2 4.25Å; W652-L654 HydrophobicContact CB-CG 4.34Å; W652-L654 HydrophobicContact CE3-CD2 4.19Å; W652-E671 HydrophobicContact CD2-CB 3.72Å; W652-E671 HydrophobicContact CD2-CG 4.19Å; W652-E671 HydrophobicContact CE3-CB 3.59Å; W652-E671 HydrophobicContact CE3-CG 4.48Å; W652-E671 HydrophobicContact CG-CB 4.36Å; W652-E671 HydrophobicContact CG-CG 4.33Å; W652-E671 HydrophobicContact CH2-CB 4.07Å; W652-E671 HydrophobicContact CZ2-CB 4.19Å; W652-E671 HydrophobicContact CZ3-CB 3.77Å; W652-E672 HydrophobicContact CH2-CG 3.49Å; W652-E672 VanDerWaalsContact CH2-CG 3.49Å; W652-E672 HydrophobicContact CZ3-CG 3.86Å; W652-R692 VanDerWaalsContact CH2-NH2 3.32Å; W652-R692 VanDerWaalsContact CZ3-NE 3.34Å; W652-R692 VanDerWaalsContact CZ3-NH2 3.32Å
653I93.1Very high92.1Very high0 Ų012 Ų120%06%0.062CC..EExtended strand (participates in β ladder)trans-119.5113.2174-53-171.9000108.1V588 T590 F643 A646 V647 C651 E675 V676 P688V588-I653 WeakPolarHBondContact O-CA 3.17Å; T590-I653 HydrophobicContact CG2-CG2 3.61Å; F643-I653 HydrophobicContact CD2-CD1 3.74Å; F643-I653 HydrophobicContact CD2-CG2 3.85Å; F643-I653 HydrophobicContact CE2-CD1 3.79Å; F643-I653 HydrophobicContact CE2-CG2 3.98Å; A646-I653 HydrophobicContact CB-CD1 3.76Å; A646-I653 HydrophobicContact CB-CG1 4.13Å; V647-I653 HydrophobicContact CB-CD1 4.4Å; V647-I653 HydrophobicContact CG2-CD1 3.45Å; V647-I653 VanDerWaalsContact CG2-CD1 3.45Å; C651-I653 PolarHBondContact O-N 3.33Å; I653-E675 WeakPolarHBondContact O-CA 3.4Å; I653-V676 HydrophobicContact CG2-CB 4.04Å; I653-V676 HydrophobicContact CG2-CG1 4.45Å; I653-V676 HydrophobicContact CG2-CG2 4.12Å; I653-V676 PolarHBondContact O-N 2.94Å; I653-P688 HydrophobicContact CB-CB 4Å; I653-P688 HydrophobicContact CB-CG 4.3Å; I653-P688 HydrophobicContact CD1-CB 4.06Å; I653-P688 HydrophobicContact CD1-CG 4.12Å; I653-P688 HydrophobicContact CG1-CB 4.12Å
654L92.9Very high91.8Very high0 Ų018.4 Ų18.40%09%0.092CC..EExtended strand (participates in β ladder)trans-116149.8-165.9-52.5178.8000111.7V588 T590 W652 W658 E671 F674 V676V588-L654 PolarHBondContact O-N 3.36Å; T590-L654 PolarHBondContact N-O 2.85Å; T590-L654 PolarHBondContact OG1-O 3.37Å; W652-L654 HydrophobicContact CB-CD2 4.25Å; W652-L654 HydrophobicContact CB-CG 4.34Å; W652-L654 HydrophobicContact CE3-CD2 4.19Å; L654-W658 HydrophobicContact CB-CB 4.35Å; L654-W658 HydrophobicContact CD1-CB 4.38Å; L654-W658 HydrophobicContact CD1-CD2 3.57Å; L654-W658 HydrophobicContact CD1-CE3 3.81Å; L654-W658 HydrophobicContact CD1-CG 3.82Å; L654-W658 HydrophobicContact CD1-CZ2 4.36Å; L654-W658 HydrophobicContact CD1-CZ3 4.31Å; L654-E671 HydrophobicContact CD1-CB 4.33Å; L654-E671 HydrophobicContact CD1-CG 3.75Å; L654-E671 HydrophobicContact CD2-CB 3.99Å; L654-E671 HydrophobicContact CD2-CG 4.3Å; L654-F674 CarbonylContact C-O 3.57Å; L654-F674 VanDerWaalsContact CA-O 3.32Å; L654-F674 WeakPolarHBondContact CA-O 3.4Å; L654-V676 VanDerWaalsContact C-CG2 3.48Å
655S92.9Very high91.5Very high0 Ų021 Ų210%011%0.105CC..  trans-68.2165.1165.478.40000110.7D657 F674S655-D657 WeakPolarHBondContact CB-OD2 3.3Å; S655-D657 PolarHBondContact O-N 3.06Å; S655-D657 PolarHBondContact OG-N 3.5Å; S655-D657 PolarHBondContact OG-OD2 3.43Å; S655-F674 PolarHBondContact N-O 3.05Å
656F93.1Very high91.2Very high1 Ų126.7 Ų26.70%0.00413%0.129CC..THydrogen-bonded Turntrans-69.9-22.8177.1-164.7-102.9000112.4L558 Q562 L565 F566 V589 T590 A592 L593 W658 I659 E660L558-F656 HydrophobicContact CD2-CD2 3.67Å; L558-F656 HydrophobicContact CD2-CE2 4.02Å; Q562-F656 HydrophobicContact CB-CD2 4.13Å; Q562-F656 HydrophobicContact CB-CE1 4.04Å; Q562-F656 HydrophobicContact CB-CE2 3.56Å; Q562-F656 HydrophobicContact CB-CZ 3.52Å; Q562-F656 HydrophobicContact CG-CD1 3.89Å; Q562-F656 HydrophobicContact CG-CD2 4.19Å; Q562-F656 HydrophobicContact CG-CE1 3.61Å; Q562-F656 HydrophobicContact CG-CE2 3.95Å; Q562-F656 HydrophobicContact CG-CG 4.18Å; Q562-F656 HydrophobicContact CG-CZ 3.66Å; Q562-F656 WeakPolarHBondContact O-CZ 3.43Å; L565-F656 HydrophobicContact CB-CZ 4.19Å; L565-F656 HydrophobicContact CD2-CE1 3.88Å; L565-F656 HydrophobicContact CD2-CZ 3.97Å; L565-F656 HydrophobicContact CG-CZ 4.28Å; F566-F656 HydrophobicContact CB-CE2 4.26Å; V589-F656 HydrophobicContact CG1-CD2 3.96Å; T590-F656 PolarHBondContact O-N 3.2Å; A592-F656 WeakPolarHBondContact O-CB 3.49Å; A592-F656 PolarHBondContact O-N 3.33Å; L593-F656 HydrophobicContact CD2-CB 4.03Å; L593-F656 HydrophobicContact CD2-CD1 4.38Å; F656-W658 PolarHBondContact O-N 3.03Å; F656-I659 HydrophobicContact CD2-CB 4.37Å; F656-I659 HydrophobicContact CE1-CG2 4.36Å; F656-I659 HydrophobicContact CE2-CB 4.08Å; F656-I659 HydrophobicContact CE2-CG1 4.37Å; F656-I659 HydrophobicContact CE2-CG2 3.88Å; F656-I659 HydrophobicContact CZ-CB 4.23Å; F656-I659 HydrophobicContact CZ-CG2 3.7Å; F656-I659 WeakPolarHBondContact O-CA 3.45Å; F656-I659 WeakPolarHBondContact O-CB 3.44Å; F656-I659 PolarHBondContact O-N 2.89Å; F656-E660 HydrophobicContact CD1-CG 3.62Å; F656-E660 HydrophobicContact CE1-CG 3.56Å; F656-E660 WeakPolarHBondContact CE1-OE1 3.46Å; F656-E660 PolarHBondContact O-N 3.21Å; F656-E660 VanDerWaalsContact O-N 3.16Å
657D90.9Very high90.6Very high32 Ų3227.4 Ų27.417%0.17113%0.133CC..Hα-helixtrans-61.2-25.5179.3-37-89.1000112.3L593 Q594 S655 E660 T661 F674L593-D657 WeakPolarHBondContact CA-OD2 3.26Å; L593-D657 VanDerWaalsContact CD2-OD1 3.3Å; L593-D657 WeakPolarHBondContact CD2-OD1 3.49Å; Q594-D657 WeakPolarHBondContact CB-OD2 3.39Å; Q594-D657 PolarHBondContact N-OD2 3.3Å; S655-D657 WeakPolarHBondContact CB-OD2 3.3Å; S655-D657 PolarHBondContact O-N 3.06Å; S655-D657 PolarHBondContact OG-N 3.5Å; S655-D657 PolarHBondContact OG-OD2 3.43Å; D657-E660 PolarHBondContact O-N 2.77Å; D657-T661 VanDerWaalsContact O-CB 3.24Å; D657-T661 WeakPolarHBondContact O-CB 3.28Å; D657-T661 PolarHBondContact O-N 3.5Å; D657-T661 PolarHBondContact O-OG1 2.92Å; D657-F674 HydrophobicContact CB-CD1 4.05Å; D657-F674 HydrophobicContact CB-CE1 4.16Å
658W93.2Very high90.2Very high0 Ų030.9 Ų30.90%015%0.146CC..Hα-helixtrans-60.9-44170.3-17777.7000111.7L553 I573 V589 L654 F656 C662 R668 V669 E671 F674L553-W658 HydrophobicContact CD1-CZ3 4.42Å; L553-W658 HydrophobicContact CD2-CH2 4.31Å; L553-W658 HydrophobicContact CD2-CZ3 4.34Å; I573-W658 HydrophobicContact CD1-CH2 3.66Å; I573-W658 HydrophobicContact CD1-CZ2 4.4Å; I573-W658 HydrophobicContact CD1-CZ3 4.31Å; V589-W658 HydrophobicContact CG2-CE3 4.14Å; V589-W658 HydrophobicContact CG2-CZ3 4.29Å; L654-W658 HydrophobicContact CB-CB 4.35Å; L654-W658 HydrophobicContact CD1-CB 4.38Å; L654-W658 HydrophobicContact CD1-CD2 3.57Å; L654-W658 HydrophobicContact CD1-CE3 3.81Å; L654-W658 HydrophobicContact CD1-CG 3.82Å; L654-W658 HydrophobicContact CD1-CZ2 4.36Å; L654-W658 HydrophobicContact CD1-CZ3 4.31Å; F656-W658 PolarHBondContact O-N 3.03Å; W658-C662 VanDerWaalsContact O-CB 3.26Å; W658-C662 WeakPolarHBondContact O-CB 3.48Å; W658-C662 PolarHBondContact O-N 3.08Å; W658-C662 PolarHBondContact O-SG 2.95Å; W658-R668 HydrophobicContact CZ2-CG 4.01Å; W658-V669 PolarHBondContact NE1-O 3.4Å; W658-E671 HydrophobicContact CZ2-CG 4.27Å; W658-E671 VanDerWaalsContact CZ2-OE1 3.32Å; W658-E671 WeakPolarHBondContact CZ2-OE1 3.3Å; W658-F674 HydrophobicContact CB-CB 3.81Å; W658-F674 HydrophobicContact CB-CD1 4.03Å; W658-F674 HydrophobicContact CB-CD2 4.21Å; W658-F674 HydrophobicContact CB-CG 3.75Å; W658-F674 AromaticContact CD1-CD2 3.58Å; W658-F674 HydrophobicContact CG-CB 4.43Å; W658-F674 HydrophobicContact CG-CD2 4.31Å; W658-F674 HydrophobicContact CG-CG 4.32Å
659I94.3Very high89.9Confident0 Ų032.4 Ų32.40%016%0.156CC..Hα-helixtrans-67-41.3176.5-71.1-65000110.9L565 F566 V569 V589 F656 A663L565-I659 HydrophobicContact CD2-CG2 4.31Å; L565-I659 HydrophobicContact CG-CG2 3.94Å; F566-I659 HydrophobicContact CB-CG2 4.42Å; F566-I659 HydrophobicContact CD2-CD1 3.81Å; F566-I659 HydrophobicContact CD2-CG1 4.02Å; V569-I659 HydrophobicContact CB-CD1 4.19Å; V569-I659 HydrophobicContact CB-CG2 4.13Å; V569-I659 HydrophobicContact CG1-CD1 3.77Å; V569-I659 HydrophobicContact CG1-CG2 4.42Å; V569-I659 HydrophobicContact CG2-CG2 3.93Å; V589-I659 HydrophobicContact CB-CG1 4.47Å; V589-I659 HydrophobicContact CG1-CG1 3.79Å; V589-I659 HydrophobicContact CG2-CD1 4.24Å; V589-I659 HydrophobicContact CG2-CG1 4.04Å; F656-I659 HydrophobicContact CD2-CB 4.37Å; F656-I659 HydrophobicContact CE1-CG2 4.36Å; F656-I659 HydrophobicContact CE2-CB 4.08Å; F656-I659 HydrophobicContact CE2-CG1 4.37Å; F656-I659 HydrophobicContact CE2-CG2 3.88Å; F656-I659 HydrophobicContact CZ-CB 4.23Å; F656-I659 HydrophobicContact CZ-CG2 3.7Å; F656-I659 WeakPolarHBondContact O-CA 3.45Å; F656-I659 WeakPolarHBondContact O-CB 3.44Å; F656-I659 PolarHBondContact O-N 2.89Å; I659-A663 VanDerWaalsContact O-CB 3.32Å; I659-A663 WeakPolarHBondContact O-CB 3.33Å; I659-A663 PolarHBondContact O-N 2.97Å
660E92.4Very high89.7Confident94 Ų9434.3 Ų34.344%0.43916%0.164SC..Hα-helixtrans-68.1-41.5178.7-55.2-146.7146.100111.8L565 F656 D657 A663 H664L565-E660 HydrophobicContact CD2-CG 4.09Å; F656-E660 HydrophobicContact CD1-CG 3.62Å; F656-E660 HydrophobicContact CE1-CG 3.56Å; F656-E660 WeakPolarHBondContact CE1-OE1 3.46Å; F656-E660 PolarHBondContact O-N 3.21Å; F656-E660 VanDerWaalsContact O-N 3.16Å; D657-E660 PolarHBondContact O-N 2.77Å; E660-A663 WeakPolarHBondContact O-CB 3.47Å; E660-A663 PolarHBondContact O-N 3.46Å; E660-H664 WeakPolarHBondContact O-CB 3.48Å; E660-H664 PolarHBondContact O-N 3.28Å
661T91.3Very high89.7Confident40 Ų4035 Ų3525%0.24517%0.167CC..Hα-helixtrans-65.9-44.7176.1-530000110.9D657 A663 H664 I665 V669 F674D657-T661 VanDerWaalsContact O-CB 3.24Å; D657-T661 WeakPolarHBondContact O-CB 3.28Å; D657-T661 PolarHBondContact O-N 3.5Å; D657-T661 PolarHBondContact O-OG1 2.92Å; T661-A663 VanDerWaalsContact C-N 3.3Å; T661-A663 PolarHBondContact O-N 3.11Å; T661-H664 PolarHBondContact O-N 3.19Å; T661-I665 HydrophobicContact CG2-CD1 3.67Å; T661-I665 HydrophobicContact CG2-CG1 4.2Å; T661-I665 WeakPolarHBondContact O-CG1 3.33Å; T661-I665 PolarHBondContact O-N 3.41Å; T661-V669 HydrophobicContact CG2-CG2 4.15Å; T661-F674 HydrophobicContact CG2-CZ 4.1Å
662C90.7Very high89.5Confident0 Ų039.8 Ų39.80%019%0.19CC..Hα-helixtrans-57.9-41.7171.7-71.90000111.6V569 M572 W658 K666 M667 V669V569-C662 HydrophobicContact CG1-CB 3.78Å; M572-C662 VanDerWaalsContact CE-O 3.26Å; M572-C662 WeakPolarHBondContact CE-O 3.47Å; W658-C662 VanDerWaalsContact O-CB 3.26Å; W658-C662 WeakPolarHBondContact O-CB 3.48Å; W658-C662 PolarHBondContact O-N 3.08Å; W658-C662 PolarHBondContact O-SG 2.95Å; C662-K666 WeakPolarHBondContact O-CA 3.39Å; C662-K666 PolarHBondContact O-N 2.83Å; C662-M667 VanDerWaalsContact CA-O 3.29Å; C662-M667 WeakPolarHBondContact CA-O 3.5Å; C662-M667 WeakPolarHBondContact CB-O 3.36Å; C662-M667 PolarHBondContact O-N 3.43Å; C662-M667 PolarHBondContact SG-O 3.12Å; C662-V669 PolarHBondContact SG-N 3.08Å; C662-V669 VanDerWaalsContact SG-N 3.44Å
663A91.7Very high89.1Confident18 Ų1840.7 Ų40.715%0.14921%0.207CC..Hα-helixtrans-65.4-36.7176.900000113.5L565 V569 I659 E660 T661L565-A663 HydrophobicContact CD1-CB 4.03Å; V569-A663 HydrophobicContact CG2-CB 3.62Å; I659-A663 VanDerWaalsContact O-CB 3.32Å; I659-A663 WeakPolarHBondContact O-CB 3.33Å; I659-A663 PolarHBondContact O-N 2.97Å; E660-A663 WeakPolarHBondContact O-CB 3.47Å; E660-A663 PolarHBondContact O-N 3.46Å; T661-A663 VanDerWaalsContact C-N 3.3Å; T661-A663 PolarHBondContact O-N 3.11Å
664H87.6Confident88.9Confident135 Ų13542 Ų4263%0.62521%0.213SC*.Hα-helixtrans-74.6-49.7-179.3-179.7-107.1000111.9E660 T661 K666E660-H664 WeakPolarHBondContact O-CB 3.48Å; E660-H664 PolarHBondContact O-N 3.28Å; T661-H664 PolarHBondContact O-N 3.19Å; H664-K666 VanDerWaalsContact C-N 3.31Å
665I86.7Confident88.8Confident54 Ų5443.1 Ų43.128%0.27722%0.218SC..Hα-helixtrans-74.9-24.8-179.9-55.1-178.2000111.2P366 T661 M667 V669P366-I665 HydrophobicContact CG-CG2 3.89Å; T661-I665 HydrophobicContact CG2-CD1 3.67Å; T661-I665 HydrophobicContact CG2-CG1 4.2Å; T661-I665 WeakPolarHBondContact O-CG1 3.33Å; T661-I665 PolarHBondContact O-N 3.41Å; I665-M667 HydrophobicContact CB-CG 4.31Å; I665-M667 HydrophobicContact CG2-CG 3.64Å; I665-M667 HydrophobicContact CG2-SD 3.45Å; I665-M667 WeakPolarHBondContact CG2-SD 3.07Å; I665-V669 HydrophobicContact CD1-CG2 4.09Å
666K86.1Confident88.6Confident126 Ų12643.2 Ų43.255%0.54822%0.219SC..THydrogen-bonded Turntrans67.532.2-175.5-53.2-174.1177.8-173.20114.5H401 M572 C662 H664H401-K666 PolarHBondContact CE1-O 3.15Å; M572-K666 HydrophobicContact SD-CB 4.26Å; C662-K666 WeakPolarHBondContact O-CA 3.39Å; C662-K666 PolarHBondContact O-N 2.83Å; H664-K666 VanDerWaalsContact C-N 3.31Å
667M80.7Confident88.3Confident15 Ų1544.8 Ų44.87%0.07423%0.228CC..SBendtrans-143.3168.4174.873.1-163-51.800110P366 G370 R399 C662 I665P366-M667 HydrophobicContact CB-CE 4.16Å; P366-M667 HydrophobicContact CB-SD 3.95Å; P366-M667 HydrophobicContact CG-CE 4.46Å; P366-M667 HydrophobicContact CG-SD 3.66Å; G370-M667 VanDerWaalsContact O-CE 3.24Å; G370-M667 WeakPolarHBondContact O-CE 3.14Å; R399-M667 WeakPolarHBondContact O-CE 3.43Å; C662-M667 VanDerWaalsContact CA-O 3.29Å; C662-M667 WeakPolarHBondContact CA-O 3.5Å; C662-M667 WeakPolarHBondContact CB-O 3.36Å; C662-M667 PolarHBondContact O-N 3.43Å; C662-M667 PolarHBondContact SG-O 3.12Å; I665-M667 HydrophobicContact CB-CG 4.31Å; I665-M667 HydrophobicContact CG2-CG 3.64Å; I665-M667 HydrophobicContact CG2-SD 3.45Å; I665-M667 WeakPolarHBondContact CG2-SD 3.07Å
668R84.5Confident88.1Confident73 Ų7343.2 Ų43.228%0.27522%0.22SC..  trans-71.6132.7165.4-175.7-177.6179.5-178.41.3108.5I573 H587 W658 E671I573-R668 HydrophobicContact CB-CB 4.42Å; I573-R668 HydrophobicContact CG2-CB 4.24Å; H587-R668 PolarHBondContact NE2-NH2 3.18Å; W658-R668 HydrophobicContact CZ2-CG 4.01Å; R668-E671 IonicContact CZ-OE1 3.26Å; R668-E671 IonicContact NE-OE1 2.71Å; R668-E671 PolarHBondContact NE-OE1 3.15Å; R668-E671 IonicContact NH2-OE1 3.91Å; R668-E671 PolarHBondContact NH2-OE1 3.39Å; R668-E671 IonicContact NH2-OE2 2.86Å
669V86Confident87.8Confident33 Ų3343.2 Ų43.220%0.222%0.22CC..  trans-106.5150.7176.9-175.20000108.6W658 T661 C662 I665 E671 F674W658-V669 PolarHBondContact NE1-O 3.4Å; T661-V669 HydrophobicContact CG2-CG2 4.15Å; C662-V669 PolarHBondContact SG-N 3.08Å; C662-V669 VanDerWaalsContact SG-N 3.44Å; I665-V669 HydrophobicContact CD1-CG2 4.09Å; V669-E671 PolarHBondContact O-N 3.17Å; V669-F674 HydrophobicContact CG1-CE2 3.92Å; V669-F674 HydrophobicContact CG1-CZ 4.5Å
670E86.3Confident87.3Confident73 Ų7345.9 Ų45.934%0.34124%0.239SC..  trans-51.2135.9174.8-56.5-59.4154.200111.5I398I398-E670 WeakPolarHBondContact CA-OE1 3.39Å
671E88.6Confident87Confident14 Ų1444.1 Ų44.17%0.06523%0.234CC..SBendtrans-74.8-29.6-174-75.278-170.200114.5H587 W652 L654 W658 R668 V669 G673 F674H587-E671 IonicContact CD2-OE1 2.79Å; H587-E671 IonicContact NE2-OE1 2.69Å; W652-E671 HydrophobicContact CD2-CB 3.72Å; W652-E671 HydrophobicContact CD2-CG 4.19Å; W652-E671 HydrophobicContact CE3-CB 3.59Å; W652-E671 HydrophobicContact CE3-CG 4.48Å; W652-E671 HydrophobicContact CG-CB 4.36Å; W652-E671 HydrophobicContact CG-CG 4.33Å; W652-E671 HydrophobicContact CH2-CB 4.07Å; W652-E671 HydrophobicContact CZ2-CB 4.19Å; W652-E671 HydrophobicContact CZ3-CB 3.77Å; L654-E671 HydrophobicContact CD1-CB 4.33Å; L654-E671 HydrophobicContact CD1-CG 3.75Å; L654-E671 HydrophobicContact CD2-CB 3.99Å; L654-E671 HydrophobicContact CD2-CG 4.3Å; W658-E671 HydrophobicContact CZ2-CG 4.27Å; W658-E671 VanDerWaalsContact CZ2-OE1 3.32Å; W658-E671 WeakPolarHBondContact CZ2-OE1 3.3Å; R668-E671 IonicContact CZ-OE1 3.26Å; R668-E671 IonicContact NE-OE1 2.71Å; R668-E671 PolarHBondContact NE-OE1 3.15Å; R668-E671 IonicContact NH2-OE1 3.91Å; R668-E671 PolarHBondContact NH2-OE1 3.39Å; R668-E671 IonicContact NH2-OE2 2.86Å; V669-E671 PolarHBondContact O-N 3.17Å; E671-G673 VanDerWaalsContact C-N 3.32Å; E671-G673 PolarHBondContact O-N 2.72Å; E671-F674 PolarHBondContact O-N 3.22Å
672E84.7Confident86.7Confident103 Ų10342.8 Ų42.848%0.48123%0.227SC..G310 helixtrans-61-32.3-168.9-74.5-153.7128.400115.3W652 F674 R689 R692W652-E672 HydrophobicContact CH2-CG 3.49Å; W652-E672 VanDerWaalsContact CH2-CG 3.49Å; W652-E672 HydrophobicContact CZ3-CG 3.86Å; E672-F674 PolarHBondContact O-N 3.46Å; E672-R689 IonicContact OE1-NH2 3.22Å; E672-R689 PolarHBondContact OE1-NH2 3.22Å; E672-R692 IonicContact OE1-NH2 3.14Å; E672-R692 PolarHBondContact OE1-NH2 3.11Å
673G82.8Confident86.1Confident44 Ų4445.6 Ų45.645%0.45425%0.246SC..G310 helixtrans-67.2-15.8178.600000114.2E671E671-G673 VanDerWaalsContact C-N 3.32Å; E671-G673 PolarHBondContact O-N 2.72Å
674F90.1Very high85.5Confident28 Ų2850.3 Ų50.312%0.12327%0.266CS..G310 helixtrans-120.710-170.1-54.5-89.3000113L654 S655 D657 W658 T661 V669 E671 E672 V676L654-F674 CarbonylContact C-O 3.57Å; L654-F674 VanDerWaalsContact CA-O 3.32Å; L654-F674 WeakPolarHBondContact CA-O 3.4Å; S655-F674 PolarHBondContact N-O 3.05Å; D657-F674 HydrophobicContact CB-CD1 4.05Å; D657-F674 HydrophobicContact CB-CE1 4.16Å; W658-F674 HydrophobicContact CB-CB 3.81Å; W658-F674 HydrophobicContact CB-CD1 4.03Å; W658-F674 HydrophobicContact CB-CD2 4.21Å; W658-F674 HydrophobicContact CB-CG 3.75Å; W658-F674 AromaticContact CD1-CD2 3.58Å; W658-F674 HydrophobicContact CG-CB 4.43Å; W658-F674 HydrophobicContact CG-CD2 4.31Å; W658-F674 HydrophobicContact CG-CG 4.32Å; T661-F674 HydrophobicContact CG2-CZ 4.1Å; V669-F674 HydrophobicContact CG1-CE2 3.92Å; V669-F674 HydrophobicContact CG1-CZ 4.5Å; E671-F674 PolarHBondContact O-N 3.22Å; E672-F674 PolarHBondContact O-N 3.46Å; F674-V676 PolarHBondContact O-N 3.48Å
675E89.3Confident85.3Confident22 Ų2244.7 Ų44.710%0.10324%0.242CC..BIsolated β-bridgetrans-70.6126.8-178.5-169.9163.1-141.100111.4I653 R689 R692I653-E675 WeakPolarHBondContact O-CA 3.4Å; E675-R689 HydrophobicContact CG-CB 4.49Å; E675-R689 WeakPolarHBondContact OE2-CB 3.37Å; E675-R689 WeakPolarHBondContact OE2-CD 3.2Å; E675-R689 VanDerWaalsContact OE2-CG 3.3Å; E675-R689 WeakPolarHBondContact OE2-CG 3.41Å; E675-R689 IonicContact OE2-NE 3.58Å; E675-R692 IonicContact OE1-CZ 3.98Å; E675-R692 IonicContact OE1-NE 3.3Å; E675-R692 PolarHBondContact OE1-NE 3.28Å; E675-R692 IonicContact OE1-NH2 2.81Å; E675-R692 IonicContact OE2-CZ 2.97Å; E675-R692 IonicContact OE2-NE 3.67Å; E675-R692 PolarHBondContact OE2-NE 2.67Å; E675-R692 IonicContact OE2-NH2 3.14Å; E675-R692 PolarHBondContact OE2-NH2 3.11Å
676V89.9Confident85.2Confident3 Ų343.4 Ų43.42%0.01824%0.241CC..  trans-66.6132-174.7166.20000111T590 A635 C637 F643 I653 L654 F674 G678 P688T590-V676 HydrophobicContact CG2-CG2 4.2Å; A635-V676 WeakPolarHBondContact O-CG1 3.32Å; C637-V676 HydrophobicContact CB-CG1 4.33Å; F643-V676 HydrophobicContact CE2-CG1 4.27Å; I653-V676 HydrophobicContact CG2-CB 4.04Å; I653-V676 HydrophobicContact CG2-CG1 4.45Å; I653-V676 HydrophobicContact CG2-CG2 4.12Å; I653-V676 PolarHBondContact O-N 2.94Å; L654-V676 VanDerWaalsContact C-CG2 3.48Å; F674-V676 PolarHBondContact O-N 3.48Å; V676-G678 WeakPolarHBondContact CG1-O 3.48Å; V676-G678 PolarHBondContact O-N 3.13Å; V676-P688 WeakPolarHBondContact O-CG 3.44Å
677T86.6Confident85.3Confident33 Ų3337.4 Ų37.420%0.20222%0.215CC..  trans-73.4-28-175.957.40000113A635 P683 M684 G686A635-T677 PolarHBondContact O-N 2.94Å; A635-T677 PolarHBondContact O-OG1 2.89Å; T677-P683 CarbonylContact C-O 3.57Å; T677-P683 VanDerWaalsContact C-O 3.32Å; T677-P683 WeakPolarHBondContact CB-O 3.42Å; T677-P683 PolarHBondContact OG1-O 2.88Å; T677-M684 HydrophobicContact CG2-SD 4.49Å; T677-G686 VanDerWaalsContact O-CA 3.32Å; T677-G686 WeakPolarHBondContact O-CA 3.48Å; T677-G686 PolarHBondContact O-N 3.31Å
678G86.4Confident85.8Confident0 Ų036.7 Ų36.70%021%0.212CC..EExtended strand (participates in β ladder)trans169.8-165.9-176.900000113.1C637 V676 A682 P683C637-G678 PolarHBondContact N-O 2.7Å; V676-G678 WeakPolarHBondContact CG1-O 3.48Å; V676-G678 PolarHBondContact O-N 3.13Å; G678-A682 WeakPolarHBondContact CA-O 3.39Å; G678-P683 WeakPolarHBondContact CA-O 3.33Å; G678-P683 PolarHBondContact N-O 3.24Å
679C86.3Confident85.9Confident0 Ų039 Ų390%022%0.221CC..EExtended strand (participates in β ladder)trans-119.4174.1-179.468.20000112.8C637 F643 T681 A682 P683C637-C679 CarbonylContact O-C 3.54Å; C637-C679 WeakPolarHBondContact O-CA 3.38Å; C637-C679 WeakPolarHBondContact O-CB 3.46Å; F643-C679 HydrophobicContact CD1-CB 4.04Å; F643-C679 HydrophobicContact CE1-CB 3.57Å; F643-C679 HydrophobicContact CZ-CB 3.85Å; C679-T681 PolarHBondContact O-N 3.31Å; C679-A682 PolarHBondContact N-O 3.28Å; C679-A682 VanDerWaalsContact N-O 3.17Å; C679-A682 CarbonylContact O-C 3.51Å; C679-A682 PolarHBondContact O-N 3.11Å; C679-P683 WeakPolarHBondContact O-CA 3.41Å
680S85.1Confident86Confident56 Ų5642.9 Ų42.939%0.39223%0.232SC..THydrogen-bonded Turntrans-51.4-32.8-175.853.20000115.1C637 R639C637-S680 PolarHBondContact O-N 2.82Å; R639-S680 PolarHBondContact N-OG 2.9Å
681T85.6Confident86.1Confident57 Ų5739.4 Ų39.435%0.3522%0.216SC..THydrogen-bonded Turntrans-91.3-9.7177.458.40000114.2C679C679-T681 PolarHBondContact O-N 3.31Å
682A84.4Confident86Confident11 Ų1139.1 Ų39.19%0.09121%0.214CC..BIsolated β-bridgetrans-153.466.9-177.100000110.2G678 C679 M684 S685 A864 E865G678-A682 WeakPolarHBondContact CA-O 3.39Å; C679-A682 PolarHBondContact N-O 3.28Å; C679-A682 VanDerWaalsContact N-O 3.17Å; C679-A682 CarbonylContact O-C 3.51Å; C679-A682 PolarHBondContact O-N 3.11Å; A682-M684 PolarHBondContact O-N 3.3Å; A682-S685 PolarHBondContact O-N 3.33Å; A682-S685 PolarHBondContact O-OG 3.15Å; A682-A864 HydrophobicContact CB-CB 4.33Å; A682-E865 HydrophobicContact CB-CG 4.12Å
683P78.8Confident86Confident60 Ų6038.3 Ų38.339%0.3921%0.213SC..THydrogen-bonded Turntrans-72-30.2-162.224.9-35000114.8T636 T677 G678 C679T636-P683 HydrophobicContact CG2-CB 3.5Å; T677-P683 CarbonylContact C-O 3.57Å; T677-P683 VanDerWaalsContact C-O 3.32Å; T677-P683 WeakPolarHBondContact CB-O 3.42Å; T677-P683 PolarHBondContact OG1-O 2.88Å; G678-P683 WeakPolarHBondContact CA-O 3.33Å; G678-P683 PolarHBondContact N-O 3.24Å; C679-P683 WeakPolarHBondContact O-CA 3.41Å
684M80Confident86Confident117 Ų11737.7 Ų37.758%0.57620%0.203SC*.THydrogen-bonded Turntrans-114.627.1-179.6-62.4-60.2-73.700111.7Q634 T677 A682 G686Q634-M684 HydrophobicContact CG-CE 4.38Å; Q634-M684 HydrophobicContact CG-SD 4.07Å; T677-M684 HydrophobicContact CG2-SD 4.49Å; A682-M684 PolarHBondContact O-N 3.3Å; M684-G686 VanDerWaalsContact C-N 3.28Å; M684-G686 PolarHBondContact O-N 3.29Å
685S83.3Confident85.6Confident17 Ų1738 Ų3812%0.11920%0.203CC..  trans-67.2-29.2-178.862.60000112.8A682 A687 R690 A864A682-S685 PolarHBondContact O-N 3.33Å; A682-S685 PolarHBondContact O-OG 3.15Å; S685-A687 PolarHBondContact O-N 3.28Å; S685-A687 WeakPolarHBondContact OG-CB 3.45Å; S685-A687 PolarHBondContact OG-N 3.23Å; S685-R690 PolarHBondContact O-NH1 3.4Å; S685-R690 PolarHBondContact O-NH2 3.39Å; S685-A864 PolarHBondContact OG-O 3.27Å
686G84.9Confident85.2Confident26 Ų2639.3 Ų39.327%0.26821%0.209SC..  trans68.514.8-167.800000112.9T677 M684 R689 R690T677-G686 VanDerWaalsContact O-CA 3.32Å; T677-G686 WeakPolarHBondContact O-CA 3.48Å; T677-G686 PolarHBondContact O-N 3.31Å; M684-G686 VanDerWaalsContact C-N 3.28Å; M684-G686 PolarHBondContact O-N 3.29Å; G686-R689 PolarHBondContact O-N 3.19Å; G686-R690 PolarHBondContact O-N 2.96Å
687A87.7Confident84.6Confident0 Ų043.5 Ų43.50%024%0.244CC..Hα-helixtrans-55.9-44.2-170.700000114.3V647 S685 R690 A691 A864V647-A687 HydrophobicContact CG1-CB 4.2Å; S685-A687 PolarHBondContact O-N 3.28Å; S685-A687 WeakPolarHBondContact OG-CB 3.45Å; S685-A687 PolarHBondContact OG-N 3.23Å; A687-R690 PolarHBondContact O-N 3.01Å; A687-A691 VanDerWaalsContact O-CB 3.24Å; A687-A691 WeakPolarHBondContact O-CB 3.2Å; A687-A691 PolarHBondContact O-N 3.21Å; A687-A864 VanDerWaalsContact CB-O 3.28Å; A687-A864 WeakPolarHBondContact CB-O 3.5Å
688P89.9Confident84.2Confident1 Ų143.9 Ų43.91%0.00625%0.254CS..Hα-helixtrans-61-49.7179-24.737000112.2F643 V647 I653 V676 A691 R692F643-P688 HydrophobicContact CE2-CG 3.95Å; F643-P688 HydrophobicContact CZ-CG 4.08Å; V647-P688 HydrophobicContact CG2-CG 4.2Å; I653-P688 HydrophobicContact CB-CB 4Å; I653-P688 HydrophobicContact CB-CG 4.3Å; I653-P688 HydrophobicContact CD1-CB 4.06Å; I653-P688 HydrophobicContact CD1-CG 4.12Å; I653-P688 HydrophobicContact CG1-CB 4.12Å; V676-P688 WeakPolarHBondContact O-CG 3.44Å; P688-A691 PolarHBondContact O-N 3.32Å; P688-R692 WeakPolarHBondContact O-CB 3.2Å; P688-R692 PolarHBondContact O-N 3.01Å
689R87.9Confident84.1Confident121 Ų12146.2 Ų46.246%0.45727%0.271SS..Hα-helixtrans-65.2-42.6179.9-167.9169.5-167.2-173.99.9112.3E672 E675 G686 A691 R692 L693E672-R689 IonicContact OE1-NH2 3.22Å; E672-R689 PolarHBondContact OE1-NH2 3.22Å; E675-R689 HydrophobicContact CG-CB 4.49Å; E675-R689 WeakPolarHBondContact OE2-CB 3.37Å; E675-R689 WeakPolarHBondContact OE2-CD 3.2Å; E675-R689 VanDerWaalsContact OE2-CG 3.3Å; E675-R689 WeakPolarHBondContact OE2-CG 3.41Å; E675-R689 IonicContact OE2-NE 3.58Å; G686-R689 PolarHBondContact O-N 3.19Å; R689-A691 VanDerWaalsContact C-N 3.34Å; R689-A691 PolarHBondContact O-N 3.48Å; R689-R692 PolarHBondContact O-N 3.16Å; R689-L693 HydrophobicContact CG-CD1 4.04Å; R689-L693 HydrophobicContact CG-CG 4.48Å; R689-L693 WeakPolarHBondContact O-CB 3.39Å; R689-L693 VanDerWaalsContact O-CG 3.28Å; R689-L693 WeakPolarHBondContact O-CG 3.44Å; R689-L693 PolarHBondContact O-N 3.4Å
690R86.8Confident83.7Confident115 Ų11551.3 Ų51.343%0.43430%0.298SS..Hα-helixtrans-59-45.2173.6-79.8-150.3-67-93.8-1.7111.7S685 G686 A687 A694 E865 Y866S685-R690 PolarHBondContact O-NH1 3.4Å; S685-R690 PolarHBondContact O-NH2 3.39Å; G686-R690 PolarHBondContact O-N 2.96Å; A687-R690 PolarHBondContact O-N 3.01Å; R690-A694 VanDerWaalsContact O-CB 3.29Å; R690-A694 WeakPolarHBondContact O-CB 3.46Å; R690-A694 PolarHBondContact O-N 3.31Å; R690-E865 PolarHBondContact NH2-O 2.99Å; R690-Y866 HydrophobicContact CB-CD1 4.24Å
691A88.6Confident83.5Confident0 Ų049 Ų490%028%0.283CS..Hα-helixtrans-68.9-42.3-178.200000112.6V647 A687 P688 R689 A694 R695 Y866V647-A691 HydrophobicContact CG1-CB 3.79Å; V647-A691 WeakPolarHBondContact O-CB 3.33Å; A687-A691 VanDerWaalsContact O-CB 3.24Å; A687-A691 WeakPolarHBondContact O-CB 3.2Å; A687-A691 PolarHBondContact O-N 3.21Å; P688-A691 PolarHBondContact O-N 3.32Å; R689-A691 VanDerWaalsContact C-N 3.34Å; R689-A691 PolarHBondContact O-N 3.48Å; A691-A694 PolarHBondContact O-N 2.89Å; A691-R695 WeakPolarHBondContact O-CB 3.44Å; A691-R695 VanDerWaalsContact O-CG 3.24Å; A691-R695 WeakPolarHBondContact O-CG 3.49Å; A691-R695 PolarHBondContact O-N 3.31Å; A691-Y866 VanDerWaalsContact CA-CE1 3.48Å; A691-Y866 HydrophobicContact CB-CD1 3.85Å; A691-Y866 HydrophobicContact CB-CD2 3.45Å; A691-Y866 VanDerWaalsContact CB-CD2 3.45Å; A691-Y866 HydrophobicContact CB-CE1 3.84Å; A691-Y866 HydrophobicContact CB-CE2 3.4Å; A691-Y866 HydrophobicContact CB-CG 3.65Å
692R86.9Confident83.6Confident7 Ų747.6 Ų47.63%0.02627%0.273CS..Hα-helixtrans-57.5-53.6173.8-179.6174.663.482.2-12.6111W652 E672 E675 P688 R689 A694 R695 E696W652-R692 VanDerWaalsContact CH2-NH2 3.32Å; W652-R692 VanDerWaalsContact CZ3-NE 3.34Å; W652-R692 VanDerWaalsContact CZ3-NH2 3.32Å; E672-R692 IonicContact OE1-NH2 3.14Å; E672-R692 PolarHBondContact OE1-NH2 3.11Å; E675-R692 IonicContact OE1-CZ 3.98Å; E675-R692 IonicContact OE1-NE 3.3Å; E675-R692 PolarHBondContact OE1-NE 3.28Å; E675-R692 IonicContact OE1-NH2 2.81Å; E675-R692 IonicContact OE2-CZ 2.97Å; E675-R692 IonicContact OE2-NE 3.67Å; E675-R692 PolarHBondContact OE2-NE 2.67Å; E675-R692 IonicContact OE2-NH2 3.14Å; E675-R692 PolarHBondContact OE2-NH2 3.11Å; P688-R692 WeakPolarHBondContact O-CB 3.2Å; P688-R692 PolarHBondContact O-N 3.01Å; R689-R692 PolarHBondContact O-N 3.16Å; R692-A694 PolarHBondContact O-N 2.87Å; R692-R695 PolarHBondContact O-N 3.09Å; R692-E696 HydrophobicContact CG-CG 4.37Å; R692-E696 WeakPolarHBondContact CG-OE1 3.37Å; R692-E696 IonicContact NH1-OE1 3.69Å; R692-E696 PolarHBondContact NH1-OE1 3.48Å; R692-E696 IonicContact NH1-OE2 2.86Å; R692-E696 PolarHBondContact NH1-OE2 3.32Å; R692-E696 VanDerWaalsContact NH1-OE2 3.14Å; R692-E696 WeakPolarHBondContact O-CB 3.29Å; R692-E696 VanDerWaalsContact O-CG 3.3Å; R692-E696 WeakPolarHBondContact O-CG 3.48Å; R692-E696 PolarHBondContact O-N 3.42Å
693L84.8Confident83.7Confident87 Ų8747.1 Ų47.146%0.45527%0.269SS..Hα-helixtrans-60.6-42.4178.4-70.1170.6000112.6R689 R695 E696 A697R689-L693 HydrophobicContact CG-CD1 4.04Å; R689-L693 HydrophobicContact CG-CG 4.48Å; R689-L693 WeakPolarHBondContact O-CB 3.39Å; R689-L693 VanDerWaalsContact O-CG 3.28Å; R689-L693 WeakPolarHBondContact O-CG 3.44Å; R689-L693 PolarHBondContact O-N 3.4Å; L693-R695 VanDerWaalsContact C-N 3.32Å; L693-R695 PolarHBondContact O-N 3.48Å; L693-E696 PolarHBondContact O-N 2.84Å; L693-A697 WeakPolarHBondContact O-CB 3.42Å; L693-A697 PolarHBondContact O-N 3.22Å
694A82.4Confident84Confident30 Ų3049.5 Ų49.525%0.24827%0.274CS..Hα-helixtrans-62.6-38.7177.200000112.3R690 A691 R692 S699 Y866R690-A694 VanDerWaalsContact O-CB 3.29Å; R690-A694 WeakPolarHBondContact O-CB 3.46Å; R690-A694 PolarHBondContact O-N 3.31Å; A691-A694 PolarHBondContact O-N 2.89Å; R692-A694 PolarHBondContact O-N 2.87Å; A694-S699 WeakPolarHBondContact O-CB 3.21Å; A694-S699 PolarHBondContact O-N 3.48Å; A694-Y866 HydrophobicContact CB-CE1 4.04Å
695R82.9Confident83.8Confident36 Ų3645.8 Ų45.814%0.13627%0.267CS..Hα-helixtrans-74.8-36.6175.9-66.7-65.4-157.4168.70.4113F543 L648 A691 R692 L693 A697 G698 S699 L700 S730F543-R695 HydrophobicContact CD1-CB 4.24Å; F543-R695 HydrophobicContact CE1-CB 3.34Å; F543-R695 HydrophobicContact CE1-CG 4.49Å; F543-R695 HydrophobicContact CE2-CB 4.01Å; F543-R695 HydrophobicContact CE2-CG 4.46Å; F543-R695 HydrophobicContact CZ-CB 3.19Å; F543-R695 HydrophobicContact CZ-CG 3.89Å; L648-R695 PolarHBondContact O-NE 3.44Å; L648-R695 PolarHBondContact O-NH2 3.08Å; A691-R695 WeakPolarHBondContact O-CB 3.44Å; A691-R695 VanDerWaalsContact O-CG 3.24Å; A691-R695 WeakPolarHBondContact O-CG 3.49Å; A691-R695 PolarHBondContact O-N 3.31Å; R692-R695 PolarHBondContact O-N 3.09Å; L693-R695 VanDerWaalsContact C-N 3.32Å; L693-R695 PolarHBondContact O-N 3.48Å; R695-A697 PolarHBondContact O-N 3.05Å; R695-G698 PolarHBondContact O-N 3.05Å; R695-S699 WeakPolarHBondContact CD-O 3.31Å; R695-S699 PolarHBondContact NH1-O 2.96Å; R695-L700 PolarHBondContact NH1-O 3.35Å; R695-S730 PolarHBondContact NH2-O 3.48Å
696E80.1Confident83.9Confident49 Ų4946.4 Ų46.423%0.22927%0.269CS..Hα-helixtrans-62.1-34.2172.4-73.8167174.800111.1F543 I544 R692 L693 G698F543-E696 HydrophobicContact CD1-CG 4.43Å; F543-E696 HydrophobicContact CE1-CG 4.13Å; I544-E696 HydrophobicContact CG1-CG 4.46Å; R692-E696 HydrophobicContact CG-CG 4.37Å; R692-E696 WeakPolarHBondContact CG-OE1 3.37Å; R692-E696 IonicContact NH1-OE1 3.69Å; R692-E696 PolarHBondContact NH1-OE1 3.48Å; R692-E696 IonicContact NH1-OE2 2.86Å; R692-E696 PolarHBondContact NH1-OE2 3.32Å; R692-E696 VanDerWaalsContact NH1-OE2 3.14Å; R692-E696 WeakPolarHBondContact O-CB 3.29Å; R692-E696 VanDerWaalsContact O-CG 3.3Å; R692-E696 WeakPolarHBondContact O-CG 3.48Å; R692-E696 PolarHBondContact O-N 3.42Å; L693-E696 PolarHBondContact O-N 2.84Å; E696-G698 PolarHBondContact O-N 3.35Å
697A78.2Confident83.9Confident90 Ų9045.5 Ų45.574%0.74426%0.258SS*.THydrogen-bonded Turntrans-77.49.2169.500000114.8L693 R695L693-A697 WeakPolarHBondContact O-CB 3.42Å; L693-A697 PolarHBondContact O-N 3.22Å; R695-A697 PolarHBondContact O-N 3.05Å
698G78.2Confident84Confident41 Ų4145.5 Ų45.542%0.42326%0.258SS..THydrogen-bonded Turntrans88.610.7173.600000116.6R695 E696 L700R695-G698 PolarHBondContact O-N 3.05Å; E696-G698 PolarHBondContact O-N 3.35Å; G698-L700 PolarHBondContact O-N 3.41Å
699S83.4Confident83.9Confident50 Ų5045.5 Ų45.535%0.3526%0.257SS..  trans-62.4132.4-179.4-179.50000113.6A694 R695 G701A694-S699 WeakPolarHBondContact O-CB 3.21Å; A694-S699 PolarHBondContact O-N 3.48Å; R695-S699 WeakPolarHBondContact CD-O 3.31Å; R695-S699 PolarHBondContact NH1-O 2.96Å; S699-G701 PolarHBondContact O-N 3.08Å; S699-G701 PolarHBondContact OG-N 3.35Å
700L77.3Confident84Confident107 Ų10739.7 Ų39.756%0.5624%0.235SC*.  trans-71.2-16.7175.5-62.7177.1000113.2R695 G698 H704R695-L700 PolarHBondContact NH1-O 3.35Å; G698-L700 PolarHBondContact O-N 3.41Å; L700-H704 HydrophobicContact CB-CB 4.08Å; L700-H704 VanDerWaalsContact CD1-CE1 3.48Å; L700-H704 WeakPolarHBondContact CD1-CE1 3.5Å
701G82.5Confident83.9Confident8 Ų834.3 Ų34.38%0.08222%0.215CC..  trans138.2166.3167.700000114.2S699 F703 H704 G731S699-G701 PolarHBondContact O-N 3.08Å; S699-G701 PolarHBondContact OG-N 3.35Å; G701-F703 VanDerWaalsContact C-N 3.27Å; G701-F703 PolarHBondContact O-N 3.32Å; G701-H704 WeakPolarHBondContact O-CB 3.42Å; G701-H704 PolarHBondContact O-N 2.96Å; G701-G731 CarbonylContact C-O 3.6Å; G701-G731 VanDerWaalsContact CA-O 3.26Å; G701-G731 WeakPolarHBondContact CA-O 3.34Å
702L86.3Confident83.4Confident27 Ų2734.9 Ų34.914%0.14122%0.221CC..THydrogen-bonded Turntrans-61.5-33.3-177.8-17865.4000113.5L648 G731 C862 Y866 L868L648-L702 HydrophobicContact CD2-CB 4Å; L648-L702 HydrophobicContact CD2-CD2 3.95Å; L702-G731 PolarHBondContact N-O 2.81Å; L702-C862 HydrophobicContact CD2-CB 4.44Å; L702-C862 WeakPolarHBondContact CD2-O 3.39Å; L702-Y866 HydrophobicContact CB-CD2 4.21Å; L702-Y866 HydrophobicContact CB-CE2 3.78Å; L702-Y866 HydrophobicContact CD2-CD2 3.98Å; L702-Y866 HydrophobicContact CD2-CE2 4.4Å; L702-Y866 HydrophobicContact CD2-CG 4.41Å; L702-L868 HydrophobicContact CD1-CG 4.3Å; L702-L868 HydrophobicContact CG-CD2 4.29Å
703F87.1Confident83.1Confident0 Ų039.3 Ų39.30%025%0.245CC..THydrogen-bonded Turntrans-105.515.5-178.1-52.3-50.1000112.1L648 G701 G705 L706 G731 A733 L859 C862 L868L648-F703 HydrophobicContact CD1-CD2 4.46Å; L648-F703 HydrophobicContact CD1-CE2 3.81Å; L648-F703 HydrophobicContact CD2-CD2 4.42Å; L648-F703 HydrophobicContact CD2-CE2 3.88Å; L648-F703 HydrophobicContact CD2-CZ 4.37Å; G701-F703 VanDerWaalsContact C-N 3.27Å; G701-F703 PolarHBondContact O-N 3.32Å; F703-G705 PolarHBondContact O-N 3.29Å; F703-L706 HydrophobicContact CB-CD1 4.08Å; F703-L706 HydrophobicContact CD1-CD1 4.03Å; F703-L706 HydrophobicContact CG-CD1 4.49Å; F703-L706 WeakPolarHBondContact O-CB 3.46Å; F703-L706 PolarHBondContact O-N 3.07Å; F703-G731 PolarHBondContact N-O 3.46Å; F703-A733 HydrophobicContact CB-CB 3.77Å; F703-A733 WeakPolarHBondContact O-CA 3.41Å; F703-L859 HydrophobicContact CD1-CD1 4.45Å; F703-L859 HydrophobicContact CD2-CD1 3.85Å; F703-L859 HydrophobicContact CE1-CD1 4.1Å; F703-L859 HydrophobicContact CE2-CD1 3.45Å; F703-L859 VanDerWaalsContact CE2-CD1 3.45Å; F703-L859 HydrophobicContact CE2-CG 4.17Å; F703-L859 HydrophobicContact CG-CD1 4.36Å; F703-L859 HydrophobicContact CZ-CD1 3.6Å; F703-L859 HydrophobicContact CZ-CG 4.26Å; F703-C862 HydrophobicContact CE1-CB 3.7Å; F703-C862 HydrophobicContact CZ-CB 3.89Å; F703-L868 HydrophobicContact CD1-CD2 3.72Å; F703-L868 HydrophobicContact CE1-CD2 3.95Å
704H84.1Confident83Confident110 Ų11036.5 Ų36.551%0.50923%0.23SC..THydrogen-bonded Turntrans-60.6135178.6-179.365.8000111.2L700 G701 L706 G732L700-H704 HydrophobicContact CB-CB 4.08Å; L700-H704 VanDerWaalsContact CD1-CE1 3.48Å; L700-H704 WeakPolarHBondContact CD1-CE1 3.5Å; G701-H704 WeakPolarHBondContact O-CB 3.42Å; G701-H704 PolarHBondContact O-N 2.96Å; H704-L706 VanDerWaalsContact C-N 3.28Å; H704-L706 PolarHBondContact O-N 3.47Å; H704-G732 WeakPolarHBondContact CA-O 3.36Å
705G77.6Confident82.7Confident40 Ų4038.9 Ų38.941%0.41224%0.241SC..THydrogen-bonded Turntrans81.7-7.8-173.600000115.1F703 S795F703-G705 PolarHBondContact O-N 3.29Å; G705-S795 WeakPolarHBondContact O-CB 3.32Å; G705-S795 PolarHBondContact O-OG 3.1Å
706L83.6Confident82Confident30 Ų3044.2 Ų44.216%0.15726%0.262CS..  trans-82.1128.5172.8-59.5-176.2000111F703 H704 I708 S734 L798 W858 L868F703-L706 HydrophobicContact CB-CD1 4.08Å; F703-L706 HydrophobicContact CD1-CD1 4.03Å; F703-L706 HydrophobicContact CG-CD1 4.49Å; F703-L706 WeakPolarHBondContact O-CB 3.46Å; F703-L706 PolarHBondContact O-N 3.07Å; H704-L706 VanDerWaalsContact C-N 3.28Å; H704-L706 PolarHBondContact O-N 3.47Å; L706-I708 HydrophobicContact CB-CD1 4.48Å; L706-I708 HydrophobicContact CB-CG1 4.33Å; L706-S734 PolarHBondContact O-N 3.41Å; L706-L798 HydrophobicContact CD1-CD1 4.22Å; L706-L798 HydrophobicContact CD2-CD1 4.3Å; L706-W858 HydrophobicContact CD1-CH2 4.21Å; L706-L868 HydrophobicContact CD1-CD2 4.26Å
707N85.5Confident81.5Confident7 Ų745.5 Ų45.54%0.03727%0.274CS..EExtended strand (participates in β ladder)trans-91.7121.7169.2-74.1-43000109.1S734 V736 A754 S795 L797 L798N707-S734 WeakPolarHBondContact OD1-CB 3.33Å; N707-V736 HydrophobicContact CB-CG2 4.29Å; N707-A754 PolarHBondContact ND2-O 3.16Å; N707-S795 PolarHBondContact ND2-OG 3.37Å; N707-L797 HydrophobicContact CB-CD1 3.86Å; N707-L798 PolarHBondContact O-N 2.71Å
708I89.6Confident81.5Confident0 Ų042.1 Ų42.10%025%0.245CC..EExtended strand (participates in β ladder)trans-125.1137.4-172.5-63.1-175000110.7L706 F710 A728 A733 S734 V735 V736 L798 L800 L859L706-I708 HydrophobicContact CB-CD1 4.48Å; L706-I708 HydrophobicContact CB-CG1 4.33Å; I708-F710 HydrophobicContact CG2-CD2 4.27Å; I708-F710 HydrophobicContact CG2-CE2 3.76Å; I708-F710 HydrophobicContact CG2-CZ 3.94Å; I708-A728 HydrophobicContact CD1-CB 4.25Å; I708-A733 HydrophobicContact CD1-CB 3.62Å; I708-A733 HydrophobicContact CG1-CB 4.17Å; I708-S734 PolarHBondContact N-O 2.81Å; I708-V735 CarbonylContact O-C 3.4Å; I708-V735 VanDerWaalsContact O-CA 3.28Å; I708-V735 WeakPolarHBondContact O-CA 3.28Å; I708-V736 PolarHBondContact O-N 2.79Å; I708-L798 CarbonylContact C-O 3.32Å; I708-L798 WeakPolarHBondContact CA-O 3.31Å; I708-L798 HydrophobicContact CG1-CB 4.46Å; I708-L800 HydrophobicContact CD1-CD1 4.39Å; I708-L800 HydrophobicContact CG2-CD1 3.59Å; I708-L800 HydrophobicContact CG2-CG 4.09Å; I708-L859 HydrophobicContact CD1-CD1 4.17Å
709C88.7Confident81.8Confident0 Ų040.8 Ų40.80%023%0.228CC..EExtended strand (participates in β ladder)trans-120.2146.2164.5-74.10000110.6F737 L798 L800C709-F737 WeakPolarHBondContact CA-O 3.35Å; C709-F737 HydrophobicContact CB-CE1 4.32Å; C709-F737 HydrophobicContact CB-CE2 4.42Å; C709-F737 HydrophobicContact CB-CZ 4.25Å; C709-F737 WeakPolarHBondContact SG-CD1 3.42Å; C709-F737 WeakPolarHBondContact SG-CE1 3.22Å; C709-L798 PolarHBondContact N-O 2.7Å; C709-L800 PolarHBondContact O-N 3.37Å
710F89Confident82Confident0 Ų040.8 Ų40.80%023%0.229CC..EExtended strand (participates in β ladder)trans-108.5125.2169.7-66.5-83.2000109.6I708 F714 R721 L724 A728 V735 F737 R739 L800 L859I708-F710 HydrophobicContact CG2-CD2 4.27Å; I708-F710 HydrophobicContact CG2-CE2 3.76Å; I708-F710 HydrophobicContact CG2-CZ 3.94Å; F710-F714 HydrophobicContact CB-CE2 4.05Å; F710-F714 HydrophobicContact CB-CZ 4.02Å; F710-F714 HydrophobicContact CD1-CE1 4.33Å; F710-F714 AromaticContact CD1-CZ 3.88Å; F710-F714 HydrophobicContact CD1-CZ 3.88Å; F710-F714 HydrophobicContact CG-CZ 4.45Å; F710-R721 HydrophobicContact CB-CG 3.99Å; F710-L724 HydrophobicContact CD1-CB 4.07Å; F710-L724 HydrophobicContact CD1-CD1 4.25Å; F710-L724 HydrophobicContact CE1-CB 3.48Å; F710-L724 VanDerWaalsContact CE1-CB 3.48Å; F710-L724 HydrophobicContact CE1-CD1 4.1Å; F710-L724 HydrophobicContact CE1-CG 4.37Å; F710-L724 HydrophobicContact CZ-CB 3.76Å; F710-A728 HydrophobicContact CE2-CB 4.12Å; F710-A728 HydrophobicContact CZ-CB 4.03Å; F710-V735 HydrophobicContact CD2-CG1 4Å; F710-V735 HydrophobicContact CE2-CG1 4.11Å; F710-V735 HydrophobicContact CE2-CG2 4.26Å; F710-F737 PolarHBondContact N-O 3.14Å; F710-R739 PolarHBondContact O-N 3.04Å; F710-R739 VanDerWaalsContact O-N 3.12Å; F710-L800 WeakPolarHBondContact CA-O 3.44Å; F710-L800 HydrophobicContact CD1-CB 3.74Å; F710-L800 HydrophobicContact CD1-CD1 4.25Å; F710-L800 HydrophobicContact CE1-CB 3.79Å; F710-L800 HydrophobicContact CE1-CD1 3.45Å; F710-L800 VanDerWaalsContact CE1-CD1 3.45Å; F710-L800 HydrophobicContact CE1-CG 4.26Å; F710-L800 HydrophobicContact CZ-CD1 3.73Å; F710-L859 HydrophobicContact CE1-CD2 4.33Å; F710-L859 HydrophobicContact CZ-CD2 4.02Å
711L84.3Confident82.5Confident1 Ų138.6 Ų38.61%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-133.1137.4-172.7-103164000112.3F737 R739 C742 L747 V799 L800 Y819 A820L711-F737 HydrophobicContact CD1-CE2 4.24Å; L711-F737 HydrophobicContact CD1-CZ 4.24Å; L711-F737 HydrophobicContact CG-CE2 4.19Å; L711-R739 WeakPolarHBondContact CA-O 3.27Å; L711-C742 HydrophobicContact CD2-CB 3.84Å; L711-L747 HydrophobicContact CD1-CD1 4.27Å; L711-L747 HydrophobicContact CD1-CD2 4.19Å; L711-V799 HydrophobicContact CB-CG1 3.92Å; L711-V799 HydrophobicContact CD1-CG1 3.67Å; L711-V799 HydrophobicContact CG-CG1 4.39Å; L711-L800 PolarHBondContact N-O 2.96Å; L711-Y819 HydrophobicContact CD2-CE1 4.41Å; L711-A820 HydrophobicContact CB-CB 4.28Å
712G80Confident82.7Confident13 Ų1342.3 Ų42.313%0.13423%0.231CC..SBendtrans86.8172-172.200000113.4F714 D740G712-F714 WeakPolarHBondContact O-CD2 3.41Å; G712-F714 WeakPolarHBondContact O-CE2 3.35Å; G712-D740 VanDerWaalsContact CA-O 3.28Å; G712-D740 WeakPolarHBondContact CA-O 3.23Å; G712-D740 PolarHBondContact N-O 2.92Å
713N79Confident82.9Confident99 Ų9944.2 Ų44.253%0.52924%0.239SC..  trans-70.2153.7168.7-76-49.8000110.4V805N713-V805 WeakPolarHBondContact O-CG2 3.28Å
714F82.5Confident83.1Confident28 Ų2844.2 Ų44.212%0.12324%0.239CC..  trans-121.2125.7173.6-66.3-95.1000108.8F710 G712 V718 R721 L724 D802 C856F710-F714 HydrophobicContact CB-CE2 4.05Å; F710-F714 HydrophobicContact CB-CZ 4.02Å; F710-F714 HydrophobicContact CD1-CE1 4.33Å; F710-F714 AromaticContact CD1-CZ 3.88Å; F710-F714 HydrophobicContact CD1-CZ 3.88Å; F710-F714 HydrophobicContact CG-CZ 4.45Å; G712-F714 WeakPolarHBondContact O-CD2 3.41Å; G712-F714 WeakPolarHBondContact O-CE2 3.35Å; F714-V718 HydrophobicContact CD1-CG1 3.99Å; F714-R721 HydrophobicContact CD2-CB 3.76Å; F714-R721 HydrophobicContact CD2-CG 3.94Å; F714-R721 HydrophobicContact CE2-CB 4.26Å; F714-R721 HydrophobicContact CE2-CG 3.92Å; F714-R721 HydrophobicContact CG-CB 4.48Å; F714-L724 HydrophobicContact CD1-CD1 3.42Å; F714-L724 VanDerWaalsContact CD1-CD1 3.42Å; F714-L724 HydrophobicContact CE1-CD1 3.6Å; F714-L724 HydrophobicContact CG-CD1 4.13Å; F714-L724 HydrophobicContact CZ-CD1 4.41Å; F714-D802 HydrophobicContact CD1-CB 3.78Å; F714-D802 HydrophobicContact CE1-CB 4.15Å; F714-D802 HydrophobicContact CG-CB 4.37Å; F714-C856 HydrophobicContact CE1-CB 3.92Å
715V75.8Confident83.4Confident80 Ų8039.7 Ų39.749%0.48522%0.219SC..  trans-124.2139.8-170.3-176.80000110.4V718 D802 V805V715-V718 WeakPolarHBondContact O-CB 3.42Å; V715-V718 PolarHBondContact O-N 2.9Å; V715-D802 PolarHBondContact N-OD2 3.18Å; V715-V805 HydrophobicContact CB-CG2 4.46Å; V715-V805 HydrophobicContact CG2-CG2 3.91Å
716Y68.5Low84Confident149 Ų14944.5 Ų44.558%0.58423%0.225SC*.THydrogen-bonded Turntrans-51.7127.9175.6-177.2-86.8000110.6R289R289-Y716 PolarHBondContact O-OH 3.02Å; R289-Y716 VanDerWaalsContact O-OH 3.08Å
717P70.5Confident84.4Confident75 Ų7543 Ų4349%0.48722%0.217SC..THydrogen-bonded Turncis-78.4-16.824.530.3-37.2000116.8L290L290-P717 HydrophobicContact CD2-CB 4.31Å; L290-P717 WeakPolarHBondContact CD2-O 3.34Å
718V77.5Confident84.7Confident20 Ų2042.7 Ų42.712%0.12122%0.215CC..SBendtrans-65.3139.9-174.9-175.60000111.1F714 V715 L724 D802 C856F714-V718 HydrophobicContact CD1-CG1 3.99Å; V715-V718 WeakPolarHBondContact O-CB 3.42Å; V715-V718 PolarHBondContact O-N 2.9Å; V718-L724 HydrophobicContact CG1-CD1 4.11Å; V718-D802 WeakPolarHBondContact CG2-OD1 3.44Å; V718-C856 WeakPolarHBondContact CG1-SG 3.44Å
719P85.5Confident84.7Confident12 Ų1250 Ų508%0.07824%0.243CC..PPolyproline II helixtrans-59156.2174-22.833.5000112.6L641 E723 L724 L860L641-P719 HydrophobicContact CD1-CB 4.35Å; L641-P719 HydrophobicContact CD1-CG 4.29Å; P719-E723 HydrophobicContact CB-CB 4.08Å; P719-L724 HydrophobicContact CB-CD2 4.04Å; P719-L724 HydrophobicContact CB-CG 4.22Å; P719-L724 HydrophobicContact CG-CD2 4.11Å; P719-L860 HydrophobicContact CG-CD1 4.41Å; P719-L860 HydrophobicContact CG-CD2 4.45Å
720S87.5Confident84.7Confident51 Ų5150.8 Ų50.836%0.35725%0.248SC..PPolyproline II helixtrans-62.9154179.563.10000112.3D722 E723 L724S720-D722 PolarHBondContact O-N 3.48Å; S720-D722 VanDerWaalsContact O-N 3.13Å; S720-E723 WeakPolarHBondContact CB-OE2 3.35Å; S720-E723 PolarHBondContact N-OE2 3.27Å; S720-E723 WeakPolarHBondContact O-CA 3.45Å; S720-E723 WeakPolarHBondContact O-CB 3.48Å; S720-E723 PolarHBondContact O-N 2.97Å; S720-E723 VanDerWaalsContact OG-CD 3.25Å; S720-E723 VanDerWaalsContact OG-CG 3.22Å; S720-E723 WeakPolarHBondContact OG-CG 3.5Å; S720-E723 PolarHBondContact OG-OE2 3.1Å; S720-L724 PolarHBondContact O-N 3.42Å
721R87.2Confident84.5Confident61 Ų6150.8 Ų50.823%0.2325%0.248CC..Hα-helixtrans-50.8-39.9180-169-175.165.2-156.70.4113F710 F714 L724 T725 S738 D740F710-R721 HydrophobicContact CB-CG 3.99Å; F714-R721 HydrophobicContact CD2-CB 3.76Å; F714-R721 HydrophobicContact CD2-CG 3.94Å; F714-R721 HydrophobicContact CE2-CB 4.26Å; F714-R721 HydrophobicContact CE2-CG 3.92Å; F714-R721 HydrophobicContact CG-CB 4.48Å; R721-L724 PolarHBondContact O-N 2.88Å; R721-T725 WeakPolarHBondContact O-CB 3.25Å; R721-T725 PolarHBondContact O-N 2.6Å; R721-T725 PolarHBondContact O-OG1 3.49Å; R721-S738 WeakPolarHBondContact CD-OG 3.45Å; R721-S738 VanDerWaalsContact CG-OG 3.25Å; R721-S738 WeakPolarHBondContact CG-OG 3.5Å; R721-D740 IonicContact CZ-OD1 3.76Å; R721-D740 IonicContact CZ-OD2 3.65Å; R721-D740 IonicContact NH1-OD1 2.7Å; R721-D740 PolarHBondContact NH1-OD1 3.13Å; R721-D740 IonicContact NH1-OD2 3.49Å; R721-D740 PolarHBondContact NH1-OD2 2.89Å
722D87.6Confident84.5Confident85 Ų8551.7 Ų51.746%0.45526%0.258SS..Hα-helixtrans-72.5-32179.3-59.4-3.4000112.5S720 R726S720-D722 PolarHBondContact O-N 3.48Å; S720-D722 VanDerWaalsContact O-N 3.13Å; D722-R726 WeakPolarHBondContact O-CB 3.32Å; D722-R726 WeakPolarHBondContact O-CG 3.48Å; D722-R726 PolarHBondContact O-N 3.35Å; D722-R726 PolarHBondContact O-NE 2.97Å
723E89.7Confident84.8Confident68 Ų6851.5 Ų51.532%0.31826%0.255SS..Hα-helixtrans-69.9-43.5173-76.2172.3129.200111.6L641 P719 S720 T725 R726 L727L641-E723 HydrophobicContact CD2-CB 3.59Å; L641-E723 HydrophobicContact CD2-CG 3.59Å; L641-E723 VanDerWaalsContact CD2-OE1 3.28Å; L641-E723 WeakPolarHBondContact CD2-OE1 3.2Å; P719-E723 HydrophobicContact CB-CB 4.08Å; S720-E723 WeakPolarHBondContact CB-OE2 3.35Å; S720-E723 PolarHBondContact N-OE2 3.27Å; S720-E723 WeakPolarHBondContact O-CA 3.45Å; S720-E723 WeakPolarHBondContact O-CB 3.48Å; S720-E723 PolarHBondContact O-N 2.97Å; S720-E723 VanDerWaalsContact OG-CD 3.25Å; S720-E723 VanDerWaalsContact OG-CG 3.22Å; S720-E723 WeakPolarHBondContact OG-CG 3.5Å; S720-E723 PolarHBondContact OG-OE2 3.1Å; E723-T725 VanDerWaalsContact C-N 3.34Å; E723-R726 VanDerWaalsContact CG-NH2 3.31Å; E723-R726 PolarHBondContact O-N 2.89Å; E723-L727 WeakPolarHBondContact O-CB 3.38Å; E723-L727 PolarHBondContact O-N 3.42Å
724L90.8Very high85.1Confident0 Ų048.5 Ų48.50%024%0.242CC..Hα-helixtrans-63.5-40.1172.8-63.8176000111.6F710 F714 V718 P719 S720 R721 R726 L727 A728 C856 L860F710-L724 HydrophobicContact CD1-CB 4.07Å; F710-L724 HydrophobicContact CD1-CD1 4.25Å; F710-L724 HydrophobicContact CE1-CB 3.48Å; F710-L724 VanDerWaalsContact CE1-CB 3.48Å; F710-L724 HydrophobicContact CE1-CD1 4.1Å; F710-L724 HydrophobicContact CE1-CG 4.37Å; F710-L724 HydrophobicContact CZ-CB 3.76Å; F714-L724 HydrophobicContact CD1-CD1 3.42Å; F714-L724 VanDerWaalsContact CD1-CD1 3.42Å; F714-L724 HydrophobicContact CE1-CD1 3.6Å; F714-L724 HydrophobicContact CG-CD1 4.13Å; F714-L724 HydrophobicContact CZ-CD1 4.41Å; V718-L724 HydrophobicContact CG1-CD1 4.11Å; P719-L724 HydrophobicContact CB-CD2 4.04Å; P719-L724 HydrophobicContact CB-CG 4.22Å; P719-L724 HydrophobicContact CG-CD2 4.11Å; S720-L724 PolarHBondContact O-N 3.42Å; R721-L724 PolarHBondContact O-N 2.88Å; L724-R726 PolarHBondContact O-N 3.02Å; L724-L727 PolarHBondContact O-N 3.18Å; L724-A728 WeakPolarHBondContact O-CB 3.43Å; L724-A728 PolarHBondContact O-N 2.81Å; L724-C856 HydrophobicContact CD1-CB 4.18Å; L724-L860 HydrophobicContact CD2-CD2 3.88Å
725T91.6Very high85.3Confident14 Ų1447.8 Ų47.89%0.08624%0.24CC..Hα-helixtrans-60.8-43.8173.9-61.70000111.4R721 E723 R729 V735 S738R721-T725 WeakPolarHBondContact O-CB 3.25Å; R721-T725 PolarHBondContact O-N 2.6Å; R721-T725 PolarHBondContact O-OG1 3.49Å; E723-T725 VanDerWaalsContact C-N 3.34Å; T725-R729 WeakPolarHBondContact O-CB 3.34Å; T725-R729 WeakPolarHBondContact O-CG 3.35Å; T725-R729 PolarHBondContact O-N 3.12Å; T725-R729 VanDerWaalsContact O-N 3.16Å; T725-V735 HydrophobicContact CG2-CB 4.49Å; T725-V735 HydrophobicContact CG2-CG1 4.11Å; T725-S738 PolarHBondContact OG1-OG 2.88Å; T725-S738 VanDerWaalsContact OG1-OG 3.05Å
726R90.1Very high85.5Confident141 Ų14146.4 Ų46.453%0.53223%0.232SC..Hα-helixtrans-65.7-36.2173.8-76.7-176.8-68.3-91.21.6112.7D722 E723 L724 S730D722-R726 WeakPolarHBondContact O-CB 3.32Å; D722-R726 WeakPolarHBondContact O-CG 3.48Å; D722-R726 PolarHBondContact O-N 3.35Å; D722-R726 PolarHBondContact O-NE 2.97Å; E723-R726 VanDerWaalsContact CG-NH2 3.31Å; E723-R726 PolarHBondContact O-N 2.89Å; L724-R726 PolarHBondContact O-N 3.02Å; R726-S730 WeakPolarHBondContact O-CB 3.48Å; R726-S730 PolarHBondContact O-N 3.26Å; R726-S730 PolarHBondContact O-OG 3.35Å
727L91.5Very high86Confident0 Ų040.1 Ų40.10%021%0.207CC..Hα-helixtrans-70.3-44.1178.8-170.974000112.2L641 L644 S645 L648 E723 L724 S730 G731 L859 L860L641-L727 HydrophobicContact CD1-CD1 4.33Å; L641-L727 HydrophobicContact CD1-CD2 4.24Å; L644-L727 HydrophobicContact CB-CD1 3.92Å; S645-L727 WeakPolarHBondContact OG-CD1 3.46Å; L648-L727 HydrophobicContact CD1-CD1 3.68Å; L648-L727 HydrophobicContact CD1-CG 3.81Å; L648-L727 VanDerWaalsContact CD1-O 3.31Å; L648-L727 WeakPolarHBondContact CD1-O 3.47Å; E723-L727 WeakPolarHBondContact O-CB 3.38Å; E723-L727 PolarHBondContact O-N 3.42Å; L724-L727 PolarHBondContact O-N 3.18Å; L727-S730 PolarHBondContact O-N 3.08Å; L727-S730 PolarHBondContact O-OG 3.26Å; L727-G731 PolarHBondContact O-N 3.01Å; L727-L859 HydrophobicContact CD2-CD2 4.34Å; L727-L860 HydrophobicContact CD2-CD2 3.45Å; L727-L860 VanDerWaalsContact CD2-CD2 3.45Å
728A91.4Very high86.5Confident0 Ų038 Ų380%020%0.195CC..Hα-helixtrans-59.6-48174.600000111.1I708 F710 L724 S730 G731 G732 A733 V735 L859I708-A728 HydrophobicContact CD1-CB 4.25Å; F710-A728 HydrophobicContact CE2-CB 4.12Å; F710-A728 HydrophobicContact CZ-CB 4.03Å; L724-A728 WeakPolarHBondContact O-CB 3.43Å; L724-A728 PolarHBondContact O-N 2.81Å; A728-S730 PolarHBondContact O-N 3.04Å; A728-G731 CarbonylContact O-C 3.47Å; A728-G731 PolarHBondContact O-N 3.05Å; A728-G731 VanDerWaalsContact O-N 3.16Å; A728-G732 PolarHBondContact O-N 2.9Å; A728-A733 HydrophobicContact CB-CB 4.14Å; A728-A733 WeakPolarHBondContact O-CB 3.41Å; A728-A733 PolarHBondContact O-N 2.79Å; A728-V735 HydrophobicContact CB-CG2 3.76Å; A728-L859 HydrophobicContact CB-CD2 4.21Å
729R90.6Very high86.6Confident152 Ų15241.3 Ų41.357%0.57421%0.205SC*.Hα-helixtrans-63.4-38.4176.6-70.9176.3177.8178.5-1.7112.8T725 G731 G732 V735T725-R729 WeakPolarHBondContact O-CB 3.34Å; T725-R729 WeakPolarHBondContact O-CG 3.35Å; T725-R729 PolarHBondContact O-N 3.12Å; T725-R729 VanDerWaalsContact O-N 3.16Å; R729-G731 PolarHBondContact O-N 2.75Å; R729-G732 PolarHBondContact O-N 3.3Å; R729-V735 HydrophobicContact CG-CB 4.44Å; R729-V735 HydrophobicContact CG-CG2 3.87Å
730S88.3Confident86Confident17 Ų1743.7 Ų43.712%0.11922%0.217CC..Hα-helixtrans-69.3-23.617675.90000113.2L648 R695 R726 L727 A728 G732L648-S730 CarbonylContact C-O 3.59Å; R695-S730 PolarHBondContact NH2-O 3.48Å; R726-S730 WeakPolarHBondContact O-CB 3.48Å; R726-S730 PolarHBondContact O-N 3.26Å; R726-S730 PolarHBondContact O-OG 3.35Å; L727-S730 PolarHBondContact O-N 3.08Å; L727-S730 PolarHBondContact O-OG 3.26Å; A728-S730 PolarHBondContact O-N 3.04Å; S730-G732 VanDerWaalsContact C-N 3.33Å
731G84.4Confident85.5Confident0 Ų046.4 Ų46.40%023%0.231CC..THydrogen-bonded Turntrans-82.3-0.3167.200000115.3G701 L702 F703 L727 A728 R729G701-G731 CarbonylContact C-O 3.6Å; G701-G731 VanDerWaalsContact CA-O 3.26Å; G701-G731 WeakPolarHBondContact CA-O 3.34Å; L702-G731 PolarHBondContact N-O 2.81Å; F703-G731 PolarHBondContact N-O 3.46Å; L727-G731 PolarHBondContact O-N 3.01Å; A728-G731 CarbonylContact O-C 3.47Å; A728-G731 PolarHBondContact O-N 3.05Å; A728-G731 VanDerWaalsContact O-N 3.16Å; R729-G731 PolarHBondContact O-N 2.75Å
732G85Confident85.3Confident21 Ų2144 Ų4422%0.21622%0.224CC..THydrogen-bonded Turntrans90.57.1177.300000115.8H704 A728 R729 S730H704-G732 WeakPolarHBondContact CA-O 3.36Å; A728-G732 PolarHBondContact O-N 2.9Å; R729-G732 PolarHBondContact O-N 3.3Å; S730-G732 VanDerWaalsContact C-N 3.33Å
733A86.5Confident85.1Confident8 Ų840.9 Ų40.97%0.06621%0.209CC..  trans-73.1145.9177.700000112.7F703 I708 A728F703-A733 HydrophobicContact CB-CB 3.77Å; F703-A733 WeakPolarHBondContact O-CA 3.41Å; I708-A733 HydrophobicContact CD1-CB 3.62Å; I708-A733 HydrophobicContact CG1-CB 4.17Å; A728-A733 HydrophobicContact CB-CB 4.14Å; A728-A733 WeakPolarHBondContact O-CB 3.41Å; A728-A733 PolarHBondContact O-N 2.79Å
734S85.7Confident84.8Confident37 Ų3738.4 Ų38.426%0.25920%0.198SC..EExtended strand (participates in β ladder)trans-78.1123.3163.6-176.50000108.7L706 N707 I708L706-S734 PolarHBondContact O-N 3.41Å; N707-S734 WeakPolarHBondContact OD1-CB 3.33Å; I708-S734 PolarHBondContact N-O 2.81Å
735V85.1Confident84.4Confident12 Ų1239 Ų397%0.07320%0.201CC..EExtended strand (participates in β ladder)trans-108100.9175.4-177.40000108.6I708 F710 T725 A728 R729I708-V735 CarbonylContact O-C 3.4Å; I708-V735 VanDerWaalsContact O-CA 3.28Å; I708-V735 WeakPolarHBondContact O-CA 3.28Å; F710-V735 HydrophobicContact CD2-CG1 4Å; F710-V735 HydrophobicContact CE2-CG1 4.11Å; F710-V735 HydrophobicContact CE2-CG2 4.26Å; T725-V735 HydrophobicContact CG2-CB 4.49Å; T725-V735 HydrophobicContact CG2-CG1 4.11Å; A728-V735 HydrophobicContact CB-CG2 3.76Å; R729-V735 HydrophobicContact CG-CB 4.44Å; R729-V735 HydrophobicContact CG-CG2 3.87Å
736V80.2Confident84Confident52 Ų5243.3 Ų43.332%0.31522%0.216SC..EExtended strand (participates in β ladder)trans-71.6-49.4-168.7-175.60000111.2N707 I708 Y750 A754 L797N707-V736 HydrophobicContact CB-CG2 4.29Å; I708-V736 PolarHBondContact O-N 2.79Å; V736-Y750 HydrophobicContact CG1-CD1 4.33Å; V736-A754 HydrophobicContact CG2-CB 4.42Å; V736-L797 HydrophobicContact CG2-CD1 4.02Å
737F80.7Confident83.8Confident16 Ų1636.6 Ų36.67%0.0719%0.191CC..EExtended strand (participates in β ladder)trans-151.4162.8167.571-95.6000112.3C709 F710 L711 R739 C742 L747 Y750C709-F737 WeakPolarHBondContact CA-O 3.35Å; C709-F737 HydrophobicContact CB-CE1 4.32Å; C709-F737 HydrophobicContact CB-CE2 4.42Å; C709-F737 HydrophobicContact CB-CZ 4.25Å; C709-F737 WeakPolarHBondContact SG-CD1 3.42Å; C709-F737 WeakPolarHBondContact SG-CE1 3.22Å; F710-F737 PolarHBondContact N-O 3.14Å; L711-F737 HydrophobicContact CD1-CE2 4.24Å; L711-F737 HydrophobicContact CD1-CZ 4.24Å; L711-F737 HydrophobicContact CG-CE2 4.19Å; F737-R739 HydrophobicContact CD2-CB 4.28Å; F737-R739 HydrophobicContact CD2-CG 4.23Å; F737-C742 HydrophobicContact CE2-CB 4.03Å; F737-C742 HydrophobicContact CZ-CB 4.27Å; F737-L747 HydrophobicContact CE1-CD1 4.22Å; F737-L747 HydrophobicContact CZ-CD1 3.92Å; F737-Y750 AromaticContact CD1-CD2 3.56Å; F737-Y750 HydrophobicContact CD1-CD2 3.56Å; F737-Y750 AromaticContact CD1-CE2 3.65Å; F737-Y750 HydrophobicContact CD1-CE2 3.65Å; F737-Y750 HydrophobicContact CD1-CG 4.22Å; F737-Y750 AromaticContact CE1-CD2 3.34Å; F737-Y750 HydrophobicContact CE1-CD2 3.34Å; F737-Y750 AromaticContact CE1-CE2 3.8Å; F737-Y750 HydrophobicContact CE1-CE2 3.8Å; F737-Y750 HydrophobicContact CE1-CG 4.11Å; F737-Y750 HydrophobicContact CG-CE2 4.46Å; F737-Y750 HydrophobicContact CZ-CD2 4.35Å
738S80.5Confident83.4Confident31 Ų3136.6 Ų36.622%0.21719%0.191CC..EExtended strand (participates in β ladder)trans-145.295.6-174.2-163.70000108.5R721 T725R721-S738 WeakPolarHBondContact CD-OG 3.45Å; R721-S738 VanDerWaalsContact CG-OG 3.25Å; R721-S738 WeakPolarHBondContact CG-OG 3.5Å; T725-S738 PolarHBondContact OG1-OG 2.88Å; T725-S738 VanDerWaalsContact OG1-OG 3.05Å
739R78.6Confident82.9Confident89 Ų8941.8 Ų41.834%0.33621%0.21SC..EExtended strand (participates in β ladder)trans-148144.7-169.1-63.3-174.2-179.1-156.1-0.4110.9F710 L711 F737 V741 D784F710-R739 PolarHBondContact O-N 3.04Å; F710-R739 VanDerWaalsContact O-N 3.12Å; L711-R739 WeakPolarHBondContact CA-O 3.27Å; F737-R739 HydrophobicContact CD2-CB 4.28Å; F737-R739 HydrophobicContact CD2-CG 4.23Å; R739-V741 VanDerWaalsContact C-N 3.34Å; R739-V741 PolarHBondContact O-N 3.49Å; R739-D784 IonicContact CZ-OD2 2.75Å; R739-D784 IonicContact NH2-OD2 3.91Å; R739-D784 PolarHBondContact NH2-OD2 2.94Å
740D72.9Confident82.4Confident63 Ų6337 Ų3734%0.33719%0.193SC..SBendtrans-73.2-27.9-175.6-48.7-61.8000112.9G712 R721G712-D740 VanDerWaalsContact CA-O 3.28Å; G712-D740 WeakPolarHBondContact CA-O 3.23Å; G712-D740 PolarHBondContact N-O 2.92Å; R721-D740 IonicContact CZ-OD1 3.76Å; R721-D740 IonicContact CZ-OD2 3.65Å; R721-D740 IonicContact NH1-OD1 2.7Å; R721-D740 PolarHBondContact NH1-OD1 3.13Å; R721-D740 IonicContact NH1-OD2 3.49Å; R721-D740 PolarHBondContact NH1-OD2 2.89Å
741V78.1Confident81.9Confident108 Ų10836.3 Ų36.366%0.65519%0.187SC*.  trans-133.7141.1179.8-177.40000108.4R739 Y819R739-V741 VanDerWaalsContact C-N 3.34Å; R739-V741 PolarHBondContact O-N 3.49Å; V741-Y819 WeakPolarHBondContact CG1-OH 3.39Å
742C81.4Confident81.4Confident10 Ų1037.1 Ų37.17%0.06819%0.192CC..  trans-152141.5171.4-167.30000109.1L711 F737 Y819L711-C742 HydrophobicContact CD2-CB 3.84Å; F737-C742 HydrophobicContact CE2-CB 4.03Å; F737-C742 HydrophobicContact CZ-CB 4.27Å; C742-Y819 PolarHBondContact N-OH 3.3Å; C742-Y819 VanDerWaalsContact N-OH 3.15Å; C742-Y819 PolarHBondContact O-OH 3.48Å
743S83.5Confident80.8Confident20 Ų2041.5 Ų41.514%0.1421%0.207CC..  trans-76.3143.6178.2590000111.6I745 R746 L747 E775S743-I745 VanDerWaalsContact C-N 3.25Å; S743-I745 PolarHBondContact O-N 3.31Å; S743-R746 PolarHBondContact O-N 2.97Å; S743-L747 PolarHBondContact O-N 3.27Å; S743-L747 VanDerWaalsContact O-N 3.12Å; S743-E775 VanDerWaalsContact CB-CD 3.47Å; S743-E775 WeakPolarHBondContact CB-OE1 3.35Å; S743-E775 WeakPolarHBondContact CB-OE2 3.05Å; S743-E775 PolarHBondContact OG-OE2 3.47Å
744P84.1Confident79.7Confident16 Ų1641.6 Ų41.610%0.10421%0.207CC..Hα-helixtrans-57.1-39.5-174.3-24.333.5000112.7R746 L747 A748 T823 K826 A827 L830P744-R746 VanDerWaalsContact C-N 3.28Å; P744-R746 PolarHBondContact O-N 3.37Å; P744-L747 PolarHBondContact O-N 2.85Å; P744-A748 WeakPolarHBondContact O-CB 3.49Å; P744-A748 PolarHBondContact O-N 2.84Å; P744-T823 HydrophobicContact CG-CG2 4.28Å; P744-K826 HydrophobicContact CB-CB 3.69Å; P744-K826 HydrophobicContact CG-CB 3.8Å; P744-K826 HydrophobicContact CG-CD 4.05Å; P744-A827 HydrophobicContact CB-CB 4.34Å; P744-A827 WeakPolarHBondContact O-CB 3.38Å; P744-L830 HydrophobicContact CB-CD1 4.21Å
745I83Confident78.3Confident12 Ų1239.9 Ų39.96%0.06220%0.196CC..Hα-helixtrans-58.8-33.7175.5-165.3174.9000113.5S743 R749 L763 A768 F772 L830S743-I745 VanDerWaalsContact C-N 3.25Å; S743-I745 PolarHBondContact O-N 3.31Å; I745-R749 WeakPolarHBondContact O-CB 3.39Å; I745-R749 PolarHBondContact O-N 2.93Å; I745-L763 HydrophobicContact CG1-CD2 4.22Å; I745-A768 HydrophobicContact CD1-CB 3.72Å; I745-A768 HydrophobicContact CG1-CB 4.39Å; I745-F772 HydrophobicContact CD1-CD2 4.25Å; I745-F772 HydrophobicContact CD1-CE2 4.08Å; I745-L830 HydrophobicContact CB-CD1 4.16Å
746R82.9Confident76.9Confident104 Ų10444 Ų4439%0.39222%0.217SC..Hα-helixtrans-79-41.5178-174.2173.9-175150.23.1111.4S743 P744 A748 R749 Y750S743-R746 PolarHBondContact O-N 2.97Å; P744-R746 VanDerWaalsContact C-N 3.28Å; P744-R746 PolarHBondContact O-N 3.37Å; R746-A748 VanDerWaalsContact C-N 3.34Å; R746-R749 PolarHBondContact O-N 2.95Å; R746-Y750 HydrophobicContact CG-CD2 4.01Å; R746-Y750 HydrophobicContact CG-CE2 3.63Å; R746-Y750 PolarHBondContact NE-OH 2.79Å; R746-Y750 PolarHBondContact NH2-OH 3.02Å; R746-Y750 VanDerWaalsContact O-CD2 3.23Å; R746-Y750 WeakPolarHBondContact O-CD2 3.44Å; R746-Y750 PolarHBondContact O-N 2.9Å; R746-Y750 VanDerWaalsContact O-N 3.08Å
747L84.8Confident75.6Confident0 Ų042.2 Ų42.20%021%0.206CC..Hα-helixtrans-60.7-43.2172.8177.663.3000111.5L711 F737 S743 P744 R749 Y750 A751 L797 V799 T823 V824 A827 L851L711-L747 HydrophobicContact CD1-CD1 4.27Å; L711-L747 HydrophobicContact CD1-CD2 4.19Å; F737-L747 HydrophobicContact CE1-CD1 4.22Å; F737-L747 HydrophobicContact CZ-CD1 3.92Å; S743-L747 PolarHBondContact O-N 3.27Å; S743-L747 VanDerWaalsContact O-N 3.12Å; P744-L747 PolarHBondContact O-N 2.85Å; L747-R749 VanDerWaalsContact C-N 3.35Å; L747-R749 PolarHBondContact O-N 2.65Å; L747-Y750 PolarHBondContact O-N 3.48Å; L747-A751 PolarHBondContact O-N 3.25Å; L747-A751 VanDerWaalsContact O-N 3.09Å; L747-L797 HydrophobicContact CD1-CD2 4.26Å; L747-V799 HydrophobicContact CD1-CG2 3.9Å; L747-V799 HydrophobicContact CD2-CG2 4.37Å; L747-T823 HydrophobicContact CD2-CG2 3.98Å; L747-V824 HydrophobicContact CD2-CG2 3.89Å; L747-A827 HydrophobicContact CB-CB 4.2Å; L747-A827 HydrophobicContact CD2-CB 3.93Å; L747-A827 HydrophobicContact CG-CB 4.08Å; L747-L851 HydrophobicContact CD1-CD2 3.69Å; L747-L851 HydrophobicContact CD2-CD1 4.45Å; L747-L851 HydrophobicContact CD2-CD2 4.28Å; L747-L851 HydrophobicContact CG-CD1 4.09Å; L747-L851 HydrophobicContact CG-CD2 3.83Å
748A83Confident74.4Confident0 Ų045.2 Ų45.20%023%0.229CC..Hα-helixtrans-62.1-40.3176.600000112.6P744 R746 A751 I752 L763 A827 L830 I831P744-A748 WeakPolarHBondContact O-CB 3.49Å; P744-A748 PolarHBondContact O-N 2.84Å; R746-A748 VanDerWaalsContact C-N 3.34Å; A748-A751 PolarHBondContact O-N 3.38Å; A748-I752 PolarHBondContact O-N 3.09Å; A748-L763 HydrophobicContact CB-CD1 3.61Å; A748-A827 HydrophobicContact CB-CB 4.07Å; A748-L830 HydrophobicContact CB-CB 4.38Å; A748-I831 HydrophobicContact CB-CD1 4.03Å; A748-I831 HydrophobicContact CB-CG1 3.86Å
749R81.2Confident73.1Confident110 Ų11048 Ų4842%0.41525%0.248SC..Hα-helixtrans-65.4-46.5177.6-154175.8-60.11753.3111.8I745 R746 L747 A751 I752 E753I745-R749 WeakPolarHBondContact O-CB 3.39Å; I745-R749 PolarHBondContact O-N 2.93Å; R746-R749 PolarHBondContact O-N 2.95Å; L747-R749 VanDerWaalsContact C-N 3.35Å; L747-R749 PolarHBondContact O-N 2.65Å; R749-A751 VanDerWaalsContact C-N 3.26Å; R749-A751 PolarHBondContact O-N 2.85Å; R749-I752 PolarHBondContact O-N 2.99Å; R749-E753 WeakPolarHBondContact O-CG 3.45Å; R749-E753 PolarHBondContact O-N 3.29Å; R749-E753 VanDerWaalsContact O-N 3.11Å
750Y79.9Confident72.4Confident52 Ų5246.7 Ų46.720%0.20425%0.247CC..Hα-helixtrans-60.1-32.3174.1-75.1-53.9000113.2V736 F737 R746 L747 E753 A754V736-Y750 HydrophobicContact CG1-CD1 4.33Å; F737-Y750 AromaticContact CD1-CD2 3.56Å; F737-Y750 HydrophobicContact CD1-CD2 3.56Å; F737-Y750 AromaticContact CD1-CE2 3.65Å; F737-Y750 HydrophobicContact CD1-CE2 3.65Å; F737-Y750 HydrophobicContact CD1-CG 4.22Å; F737-Y750 AromaticContact CE1-CD2 3.34Å; F737-Y750 HydrophobicContact CE1-CD2 3.34Å; F737-Y750 AromaticContact CE1-CE2 3.8Å; F737-Y750 HydrophobicContact CE1-CE2 3.8Å; F737-Y750 HydrophobicContact CE1-CG 4.11Å; F737-Y750 HydrophobicContact CG-CE2 4.46Å; F737-Y750 HydrophobicContact CZ-CD2 4.35Å; R746-Y750 HydrophobicContact CG-CD2 4.01Å; R746-Y750 HydrophobicContact CG-CE2 3.63Å; R746-Y750 PolarHBondContact NE-OH 2.79Å; R746-Y750 PolarHBondContact NH2-OH 3.02Å; R746-Y750 VanDerWaalsContact O-CD2 3.23Å; R746-Y750 WeakPolarHBondContact O-CD2 3.44Å; R746-Y750 PolarHBondContact O-N 2.9Å; R746-Y750 VanDerWaalsContact O-N 3.08Å; L747-Y750 PolarHBondContact O-N 3.48Å; Y750-E753 PolarHBondContact O-N 3.18Å; Y750-A754 WeakPolarHBondContact O-CB 3.39Å; Y750-A754 PolarHBondContact O-N 3.02Å
751A77.7Confident72.1Confident1 Ų145.2 Ų45.21%0.00824%0.237CC..Hα-helixtrans-69.1-33.9177.400000113.6L747 A748 R749 L797 I831 L851L747-A751 PolarHBondContact O-N 3.25Å; L747-A751 VanDerWaalsContact O-N 3.09Å; A748-A751 PolarHBondContact O-N 3.38Å; R749-A751 VanDerWaalsContact C-N 3.26Å; R749-A751 PolarHBondContact O-N 2.85Å; A751-L797 HydrophobicContact CB-CB 4.42Å; A751-L797 HydrophobicContact CB-CD2 4.18Å; A751-I831 HydrophobicContact CB-CD1 4.25Å; A751-L851 HydrophobicContact CB-CD1 3.94Å; A751-L851 HydrophobicContact CB-CD2 3.93Å; A751-L851 HydrophobicContact CB-CG 3.58Å
752I75.4Confident71.7Confident18 Ų1844 Ų449%0.09223%0.227CC..Hα-helixtrans-72.4-41.6174.9-62.5165.9000110.1A748 R749 N757 W761 L763A748-I752 PolarHBondContact O-N 3.09Å; R749-I752 PolarHBondContact O-N 2.99Å; I752-N757 PolarHBondContact O-N 3.31Å; I752-N757 VanDerWaalsContact O-N 3.13Å; I752-W761 HydrophobicContact CG1-CB 4.27Å; I752-L763 HydrophobicContact CD1-CB 4.06Å; I752-L763 HydrophobicContact CD1-CD1 4.18Å
753E71.7Confident71.2Confident113 Ų11345.1 Ų45.153%0.52823%0.232SC..Hα-helixtrans-70.1-53.6-179.2-69.9168.8-172.900112.7R749 Y750 A755 N756R749-E753 WeakPolarHBondContact O-CG 3.45Å; R749-E753 PolarHBondContact O-N 3.29Å; R749-E753 VanDerWaalsContact O-N 3.11Å; Y750-E753 PolarHBondContact O-N 3.18Å; E753-A755 VanDerWaalsContact C-N 3.28Å; E753-A755 PolarHBondContact O-N 2.94Å; E753-N756 PolarHBondContact O-N 3.41Å
754A63.9Low70.5Confident10 Ų1045 Ų458%0.08323%0.23CC..Hα-helixtrans-66.5-24.7-169.200000114.6N707 V736 Y750N707-A754 PolarHBondContact ND2-O 3.16Å; V736-A754 HydrophobicContact CG2-CB 4.42Å; Y750-A754 WeakPolarHBondContact O-CB 3.39Å; Y750-A754 PolarHBondContact O-N 3.02Å
755A56.1Low69.3Low1 Ų148.6 Ų48.61%0.00825%0.251CS..THydrogen-bonded Turntrans-94.611.4-179.200000113.6E753 N757 P794 S795E753-A755 VanDerWaalsContact C-N 3.28Å; E753-A755 PolarHBondContact O-N 2.94Å; A755-N757 HydrophobicContact CB-CB 3.92Å; A755-N757 VanDerWaalsContact CB-ND2 3.33Å; A755-N757 WeakPolarHBondContact CB-ND2 3.39Å; A755-N757 PolarHBondContact O-N 3.12Å; A755-N757 VanDerWaalsContact O-N 3.14Å; A755-P794 WeakPolarHBondContact O-CA 3.43Å; A755-P794 WeakPolarHBondContact O-CB 3.48Å; A755-S795 WeakPolarHBondContact CB-O 3.49Å
756N56.1Low67.9Low99 Ų9952.9 Ų52.953%0.52928%0.278SS..THydrogen-bonded Turntrans52.727.7-169.2-75.6-54.2000113.1E753 S758E753-N756 PolarHBondContact O-N 3.41Å; N756-S758 PolarHBondContact O-N 3.33Å
757N52.9Low66.5Low14 Ų1451.6 Ų51.68%0.07528%0.276CS..G310 helixtrans-93.712.3-162.2-103.1-14.6000114I752 A755 S759 I760 W761I752-N757 PolarHBondContact O-N 3.31Å; I752-N757 VanDerWaalsContact O-N 3.13Å; A755-N757 HydrophobicContact CB-CB 3.92Å; A755-N757 VanDerWaalsContact CB-ND2 3.33Å; A755-N757 WeakPolarHBondContact CB-ND2 3.39Å; A755-N757 PolarHBondContact O-N 3.12Å; A755-N757 VanDerWaalsContact O-N 3.14Å; N757-S759 PolarHBondContact O-N 2.97Å; N757-I760 PolarHBondContact O-N 3.24Å; N757-W761 PolarHBondContact O-N 3.4Å
758S54.4Low64.8Low79 Ų7951.9 Ų51.955%0.55228%0.278SS*.G310 helixtrans-61.8-14.9-179.261.50000114.3N756 K834N756-S758 PolarHBondContact O-N 3.33Å; S758-K834 PolarHBondContact O-NZ 2.94Å
759S53.9Low63Low88 Ų8856.9 Ų56.962%0.61531%0.305SS*.G310 helixtrans-84.6-26.7171510000114N757N757-S759 PolarHBondContact O-N 2.97Å
760I63.3Low61.3Low62 Ų6258.8 Ų58.832%0.31832%0.317SS..THydrogen-bonded Turntrans-105-38.8-171.5-57.6-179.4000111.8N757 P833 K834 L847N757-I760 PolarHBondContact O-N 3.24Å; I760-P833 CarbonylContact O-C 3.53Å; I760-P833 WeakPolarHBondContact O-CA 2.96Å; I760-K834 PolarHBondContact O-N 2.86Å; I760-L847 HydrophobicContact CG2-CD1 4.05Å
761W66.8Low59.5Low32 Ų3259.4 Ų59.412%0.12132%0.321CS..EExtended strand (participates in β ladder)trans-121.6148-174.2-5893.1000111.4I752 N757 I831 P833 K834 L847 P850I752-W761 HydrophobicContact CG1-CB 4.27Å; N757-W761 PolarHBondContact O-N 3.4Å; W761-I831 HydrophobicContact CB-CG2 4.02Å; W761-I831 HydrophobicContact CD2-CG2 4.09Å; W761-I831 HydrophobicContact CE3-CG2 3.55Å; W761-I831 HydrophobicContact CG-CG2 4.32Å; W761-I831 HydrophobicContact CZ3-CG2 4.32Å; W761-P833 HydrophobicContact CE3-CB 4.09Å; W761-P833 HydrophobicContact CZ3-CB 4.08Å; W761-P833 HydrophobicContact CZ3-CG 4.35Å; W761-K834 WeakPolarHBondContact O-CE 3.32Å; W761-L847 HydrophobicContact CZ2-CB 4.29Å; W761-P850 HydrophobicContact CD2-CG 4.19Å; W761-P850 HydrophobicContact CE3-CG 4.46Å; W761-P850 HydrophobicContact CZ2-CG 4.34Å
762D69.2Low57.6Low83 Ų8365 Ų6544%0.44435%0.345SS..EExtended strand (participates in β ladder)trans-134.5157.2177-129.511.6000111.3K832 K834D762-K832 PolarHBondContact N-O 3.09Å; D762-K832 PolarHBondContact O-N 3.04Å; D762-K834 HydrophobicContact CB-CD 4.41Å; D762-K834 HydrophobicContact CB-CG 4Å; D762-K834 VanDerWaalsContact CG-NZ 3.34Å; D762-K834 WeakPolarHBondContact OD1-CE 3.34Å; D762-K834 IonicContact OD1-NZ 2.82Å; D762-K834 PolarHBondContact OD1-NZ 3.43Å; D762-K834 WeakPolarHBondContact OD2-CE 3.28Å; D762-K834 IonicContact OD2-NZ 3.61Å
763L70.9Confident55.8Low33 Ų3371 Ų7117%0.17338%0.378CS..EExtended strand (participates in β ladder)trans-86.4134.2176.8-159.475.3000110.5I745 A748 I752 T765 A768 L830I745-L763 HydrophobicContact CG1-CD2 4.22Å; A748-L763 HydrophobicContact CB-CD1 3.61Å; I752-L763 HydrophobicContact CD1-CB 4.06Å; I752-L763 HydrophobicContact CD1-CD1 4.18Å; L763-T765 PolarHBondContact O-N 3.29Å; L763-A768 HydrophobicContact CD2-CB 4.41Å; L763-L830 HydrophobicContact CD1-CB 4.44Å
764N69.3Low54.4Low19 Ų1974.1 Ų74.110%0.10239%0.392CS..  trans-75.581.9-178.1-169.637.3000111.8V766 E767 A768 L830 K832N764-V766 PolarHBondContact O-N 2.99Å; N764-E767 PolarHBondContact ND2-OE1 3.08Å; N764-E767 VanDerWaalsContact ND2-OE1 3.13Å; N764-E767 PolarHBondContact ND2-OE2 3.28Å; N764-E767 PolarHBondContact O-N 2.99Å; N764-A768 PolarHBondContact O-N 3.05Å; N764-A768 VanDerWaalsContact O-N 3.09Å; N764-L830 WeakPolarHBondContact CB-O 3.45Å; N764-L830 PolarHBondContact N-O 3.01Å; N764-K832 HydrophobicContact CB-CD 4.13Å; N764-K832 HydrophobicContact CB-CG 4.46Å; N764-K832 VanDerWaalsContact CG-CE 3.44Å; N764-K832 WeakPolarHBondContact ND2-CE 3.42Å; N764-K832 PolarHBondContact ND2-NZ 3.23Å; N764-K832 PolarHBondContact OD1-NZ 3.17Å
765T58.8Low53Low91 Ų9178.8 Ų78.856%0.55841%0.412SS*.Hα-helixtrans-52.1-29.4-17352.70000115.1L763 E767 N769L763-T765 PolarHBondContact O-N 3.29Å; T765-E767 VanDerWaalsContact C-N 3.34Å; T765-E767 PolarHBondContact O-N 3.1Å; T765-N769 PolarHBondContact O-N 2.96Å; T765-N769 PolarHBondContact O-OD1 2.88Å
766V54.6Low51.5Low101 Ų10185.5 Ų85.561%0.61245%0.448SS*.Hα-helixtrans-70.5-27-179.7-176.50000113.2N764N764-V766 PolarHBondContact O-N 2.99Å
767E53.1Low50.2Low78 Ų7887.9 Ų87.936%0.36446%0.461SS..Hα-helixtrans-97.3-37.4175.4-80154.5-151.900111.5N764 T765 N769 K770 L830N764-E767 PolarHBondContact ND2-OE1 3.08Å; N764-E767 VanDerWaalsContact ND2-OE1 3.13Å; N764-E767 PolarHBondContact ND2-OE2 3.28Å; N764-E767 PolarHBondContact O-N 2.99Å; T765-E767 VanDerWaalsContact C-N 3.34Å; T765-E767 PolarHBondContact O-N 3.1Å; E767-N769 PolarHBondContact O-N 3.19Å; E767-K770 WeakPolarHBondContact O-CB 3.15Å; E767-K770 PolarHBondContact O-N 3.33Å; E767-L830 HydrophobicContact CB-CD2 3.76Å
768A49.2Very low49Very low5 Ų594.3 Ų94.34%0.04150%0.496CS..Hα-helixtrans-48.1-44.6172.500000112.5I745 L763 N764 K770 E771 F772I745-A768 HydrophobicContact CD1-CB 3.72Å; I745-A768 HydrophobicContact CG1-CB 4.39Å; L763-A768 HydrophobicContact CD2-CB 4.41Å; N764-A768 PolarHBondContact O-N 3.05Å; N764-A768 VanDerWaalsContact O-N 3.09Å; A768-K770 PolarHBondContact O-N 3.24Å; A768-K770 VanDerWaalsContact O-N 3.15Å; A768-E771 PolarHBondContact O-N 3.03Å; A768-F772 WeakPolarHBondContact O-CD2 3.42Å
769N45.1Very low47.6Very low106 Ų10698.1 Ų98.157%0.56751%0.51SS*.Hα-helixtrans-69.5-6.7-178.7-68-1.4000114.5T765 E767T765-N769 PolarHBondContact O-N 2.96Å; T765-N769 PolarHBondContact O-OD1 2.88Å; E767-N769 PolarHBondContact O-N 3.19Å
770K46.3Very low46.3Very low150 Ų150100.6 Ų100.665%0.65251%0.514SS*.Hα-helixtrans-92.5-24176.1-62.9-178.9-177.9175.70113.7E767 A768E767-K770 WeakPolarHBondContact O-CB 3.15Å; E767-K770 PolarHBondContact O-N 3.33Å; A768-K770 PolarHBondContact O-N 3.24Å; A768-K770 VanDerWaalsContact O-N 3.15Å
771E40.9Very low44.5Very low64 Ų64102.4 Ų102.430%0.29953%0.533SS..Hα-helixtrans-81.6-24.8172.5-65.4-170.7141.300111.4A768 D773 Q774A768-E771 PolarHBondContact O-N 3.03Å; E771-D773 PolarHBondContact O-N 2.94Å; E771-D773 VanDerWaalsContact O-N 3.17Å; E771-Q774 PolarHBondContact O-N 3.11Å; E771-Q774 VanDerWaalsContact O-N 3.09Å
772F38.7Very low42.5Very low118 Ų118111 Ų11152%0.51857%0.571SS.*THydrogen-bonded Turntrans-56.6-30179.3-104.4-78.5000114.6I745 A768 Q774I745-F772 HydrophobicContact CD1-CD2 4.25Å; I745-F772 HydrophobicContact CD1-CE2 4.08Å; A768-F772 WeakPolarHBondContact O-CD2 3.42Å; F772-Q774 PolarHBondContact O-N 2.74Å
773D37.7Very low40.4Very low145 Ų145114.3 Ų114.378%0.77559%0.587SS**THydrogen-bonded Turntrans-73.3-3179.5-71.1-30.9000113.8E771E771-D773 PolarHBondContact O-N 2.94Å; E771-D773 VanDerWaalsContact O-N 3.17Å
774Q41.2Very low38.3Very low178 Ų178118.1 Ų118.183%0.83261%0.608SS**THydrogen-bonded Turntrans-118.6-22.1-177.3-64.8-170.7-9.200115.7E771 F772E771-Q774 PolarHBondContact O-N 3.11Å; E771-Q774 VanDerWaalsContact O-N 3.09Å; F772-Q774 PolarHBondContact O-N 2.74Å
775E33.7Very low36.4Very low108 Ų108125.8 Ų125.851%0.50564%0.643SS.*  trans-98.222-172.5-58.5-156.2143.300115.2S743 N777S743-E775 VanDerWaalsContact CB-CD 3.47Å; S743-E775 WeakPolarHBondContact CB-OE1 3.35Å; S743-E775 WeakPolarHBondContact CB-OE2 3.05Å; S743-E775 PolarHBondContact OG-OE2 3.47Å; E775-N777 PolarHBondContact O-N 3.15Å
776N26.5Very low35Very low143 Ų143128.7 Ų128.777%0.76565%0.654SS**THydrogen-bonded Turntrans-80.544-165-147.8-0.6000115.4
777N28.5Very low34Very low149 Ų149128.3 Ų128.380%0.79765%0.652SS**THydrogen-bonded Turntrans-129.6-25.3-176.4-101.7-30.2000115.9E775 N779E775-N777 PolarHBondContact O-N 3.15Å; N777-N779 VanDerWaalsContact C-N 3.35Å; N777-N779 PolarHBondContact O-N 2.87Å
778D27.7Very low32.7Very low149 Ų149133.3 Ų133.380%0.79768%0.677SS**  trans-88.261.6-171.4-85.37.1000113.9I780D778-I780 PolarHBondContact O-N 3.35Å
779N24.4Very low32.1Very low158 Ų158137.2 Ų137.285%0.84570%0.696SS**  trans-75.166.9170.5-93.4-47.7000112N777N777-N779 VanDerWaalsContact C-N 3.35Å; N777-N779 PolarHBondContact O-N 2.87Å
780I27.4Very low31.5Very low140 Ų140139.8 Ų139.872%0.71871%0.71SS**  trans-128.1110179.4-57.7-176.8000111.9D778D778-I780 PolarHBondContact O-N 3.35Å
781S25.2Very low30.9Very low100 Ų100136.5 Ų136.570%0.69971%0.706SS**  trans24.3107.9164.659.30000119.2I783S781-I783 PolarHBondContact O-N 3.21Å
782F24.7Very low30.7Very low213 Ų213140.5 Ų140.593%0.93473%0.73SS**SBendtrans-64.495.7146.4-85.1-107.2000109.3
783I25.4Very low30.9Very low153 Ų153141.5 Ų141.579%0.78574%0.74SS**  trans-172.999145.9-86.7141.4000105.2S781S781-I783 PolarHBondContact O-N 3.21Å
784D26.7Very low31.5Very low113 Ų113138.4 Ų138.460%0.60473%0.728SS**SBendtrans-125.6137.9154.9-92.2-34.4000103.6R739 I786R739-D784 IonicContact CZ-OD2 2.75Å; R739-D784 IonicContact NH2-OD2 3.91Å; R739-D784 PolarHBondContact NH2-OD2 2.94Å; D784-I786 PolarHBondContact O-N 3Å
785E28.5Very low32.4Very low180 Ų180131.1 Ų131.184%0.84170%0.697SS**  trans-64.7109.3-166.9-67.8-179.4106.800113.5T787E785-T787 VanDerWaalsContact C-N 3.25Å; E785-T787 PolarHBondContact O-N 3.26Å
786I30.1Very low34.3Very low152 Ų152127.3 Ų127.378%0.77968%0.682SS**  trans-73.687.3160.2-55.9176.7000107.2D784 M788D784-I786 PolarHBondContact O-N 3Å; I786-M788 PolarHBondContact O-N 2.94Å
787T32.7Very low37Very low92 Ų92120.5 Ų120.556%0.56465%0.646SS**PPolyproline II helixtrans-58119165.950.10000108.6E785 I789E785-T787 VanDerWaalsContact C-N 3.25Å; E785-T787 PolarHBondContact O-N 3.26Å; T787-I789 PolarHBondContact O-N 3.28Å; T787-I789 VanDerWaalsContact O-N 3.14Å
788M26.9Very low39.7Very low183 Ų183113.5 Ų113.590%0.90161%0.608SS**PPolyproline II helixtrans-53.2118.1179.1-71.6-73.917700110.6I786I786-M788 PolarHBondContact O-N 2.94Å
789I35Very low42.6Very low87 Ų87106.4 Ų106.445%0.44657%0.57SS.*PPolyproline II helixtrans-84.1123.4-176.5-53.9178.4000108.7T787 S791T787-I789 PolarHBondContact O-N 3.28Å; T787-I789 VanDerWaalsContact O-N 3.14Å; I789-S791 PolarHBondContact O-N 3.08Å
790D33.7Very low45.7Very low160 Ų16098.9 Ų98.986%0.85653%0.53SS*.PPolyproline II helixtrans-60.6124.8172.7-87.6-45.2000110.5
791S33.9Very low48.5Very low81 Ų8193.2 Ų93.257%0.56650%0.5SS*.SBendtrans-70133.2-176.857.40000111.7I789I789-S791 PolarHBondContact O-N 3.08Å
792N36.8Very low51.4Low149 Ų14988.7 Ų88.780%0.79747%0.468SS*.SBendtrans164.212.2132.9-79.1-20.2000115.9
793N42Very low53.8Low139 Ų13981.3 Ų81.374%0.74344%0.441SS*.  trans-139.7135.2171.2-97.2-46000113.4S795N793-S795 PolarHBondContact O-N 2.95Å
794P50.2Low55.7Low80 Ų8076.8 Ų76.852%0.51943%0.432SS..  trans-8678.9175.134.8-33.5000110.8A755A755-P794 WeakPolarHBondContact O-CA 3.43Å; A755-P794 WeakPolarHBondContact O-CB 3.48Å
795S60.8Low57.1Low25 Ų2573.7 Ų73.718%0.17542%0.417CS..  trans-80.1134.2176.752.10000112.2G705 N707 A755 N793G705-S795 WeakPolarHBondContact O-CB 3.32Å; G705-S795 PolarHBondContact O-OG 3.1Å; N707-S795 PolarHBondContact ND2-OG 3.37Å; A755-S795 WeakPolarHBondContact CB-O 3.49Å; N793-S795 PolarHBondContact O-N 2.95Å
796S72.4Confident58.2Low27 Ų2771.6 Ų71.619%0.18941%0.411CS..  trans-62.4146.1175.850.10000111.7L798 P849S796-L798 PolarHBondContact O-N 3.26Å; S796-P849 WeakPolarHBondContact CB-O 3.22Å
797L83.5Confident58.6Low1 Ų168.9 Ų68.91%0.00541%0.406CS..EExtended strand (participates in β ladder)trans-81.1109.9-179.2-176.759.2000109.9N707 V736 L747 A751 P850 L851 Q852N707-L797 HydrophobicContact CB-CD1 3.86Å; V736-L797 HydrophobicContact CG2-CD1 4.02Å; L747-L797 HydrophobicContact CD1-CD2 4.26Å; A751-L797 HydrophobicContact CB-CB 4.42Å; A751-L797 HydrophobicContact CB-CD2 4.18Å; L797-P850 PolarHBondContact N-O 3.3Å; L797-L851 HydrophobicContact CB-CD2 4.03Å; L797-L851 HydrophobicContact CD2-CD2 3.99Å; L797-L851 HydrophobicContact CG-CD2 4.11Å; L797-Q852 PolarHBondContact O-N 3.15Å; L797-Q852 VanDerWaalsContact O-N 3.15Å
798L86.8Confident58.6Low2 Ų273.8 Ų73.81%0.0142%0.419CS..EExtended strand (participates in β ladder)trans-87118.7-176.3-54.4-173.3000110.6L706 N707 I708 C709 S796 Q852 I854 F871L706-L798 HydrophobicContact CD1-CD1 4.22Å; L706-L798 HydrophobicContact CD2-CD1 4.3Å; N707-L798 PolarHBondContact O-N 2.71Å; I708-L798 CarbonylContact C-O 3.32Å; I708-L798 WeakPolarHBondContact CA-O 3.31Å; I708-L798 HydrophobicContact CG1-CB 4.46Å; C709-L798 PolarHBondContact N-O 2.7Å; S796-L798 PolarHBondContact O-N 3.26Å; L798-Q852 HydrophobicContact CD2-CB 4.17Å; L798-I854 HydrophobicContact CB-CD1 4.37Å; L798-I854 HydrophobicContact CD1-CD1 4.15Å; L798-I854 HydrophobicContact CD2-CD1 3.9Å; L798-I854 HydrophobicContact CG-CD1 4.36Å; L798-F871 HydrophobicContact CD1-CE1 4.09Å; L798-F871 HydrophobicContact CD1-CZ 4.28Å; L798-F871 HydrophobicContact CD2-CE1 4.47Å; L798-F871 HydrophobicContact CD2-CZ 4.24Å
799V87.5Confident59.1Low0 Ų069.3 Ų69.30%040%0.404CS..EExtended strand (participates in β ladder)trans-99.6101.8-179.6176.30000109.6L711 L747 V824 L851 Q852 S853 I854L711-V799 HydrophobicContact CB-CG1 3.92Å; L711-V799 HydrophobicContact CD1-CG1 3.67Å; L711-V799 HydrophobicContact CG-CG1 4.39Å; L747-V799 HydrophobicContact CD1-CG2 3.9Å; L747-V799 HydrophobicContact CD2-CG2 4.37Å; V799-V824 HydrophobicContact CB-CG2 3.76Å; V799-V824 HydrophobicContact CG1-CG2 3.79Å; V799-V824 HydrophobicContact CG2-CG2 3.78Å; V799-L851 HydrophobicContact CG2-CD2 3.92Å; V799-Q852 PolarHBondContact N-O 2.85Å; V799-S853 WeakPolarHBondContact O-CA 3.39Å; V799-I854 PolarHBondContact O-N 2.89Å
800L89Confident59Low0 Ų074.5 Ų74.50%042%0.423CS..EExtended strand (participates in β ladder)trans-85.1129.4178-65177.6000111.3I708 C709 F710 L711 I854 C856 L859I708-L800 HydrophobicContact CD1-CD1 4.39Å; I708-L800 HydrophobicContact CG2-CD1 3.59Å; I708-L800 HydrophobicContact CG2-CG 4.09Å; C709-L800 PolarHBondContact O-N 3.37Å; F710-L800 WeakPolarHBondContact CA-O 3.44Å; F710-L800 HydrophobicContact CD1-CB 3.74Å; F710-L800 HydrophobicContact CD1-CD1 4.25Å; F710-L800 HydrophobicContact CE1-CB 3.79Å; F710-L800 HydrophobicContact CE1-CD1 3.45Å; F710-L800 VanDerWaalsContact CE1-CD1 3.45Å; F710-L800 HydrophobicContact CE1-CG 4.26Å; F710-L800 HydrophobicContact CZ-CD1 3.73Å; L711-L800 PolarHBondContact N-O 2.96Å; L800-I854 VanDerWaalsContact CA-O 3.3Å; L800-I854 WeakPolarHBondContact CA-O 3.48Å; L800-I854 HydrophobicContact CD2-CB 3.84Å; L800-I854 HydrophobicContact CD2-CG2 3.73Å; L800-C856 HydrophobicContact CB-CB 4.46Å; L800-L859 HydrophobicContact CD1-CB 4.16Å; L800-L859 HydrophobicContact CD1-CD1 4.31Å; L800-L859 HydrophobicContact CD1-CD2 4.05Å; L800-L859 HydrophobicContact CD1-CG 4.41Å
801Y88Confident58.8Low20 Ų2073.5 Ų73.58%0.07842%0.418CS..EExtended strand (participates in β ladder)trans-135157.4-179.668.7-91.4000112.3P803 I818 A820 V821 I854 P855 C856Y801-P803 HydrophobicContact CE2-CB 4.29Å; Y801-P803 WeakPolarHBondContact O-CD 3.31Å; Y801-I818 HydrophobicContact CD2-CD1 4.31Å; Y801-I818 HydrophobicContact CD2-CG2 3.79Å; Y801-I818 HydrophobicContact CE2-CD1 3.65Å; Y801-I818 HydrophobicContact CE2-CG2 4.12Å; Y801-I818 HydrophobicContact CG-CG2 4.49Å; Y801-A820 VanDerWaalsContact CB-CB 3.45Å; Y801-A820 HydrophobicContact CD1-CB 4.28Å; Y801-A820 HydrophobicContact CG-CB 3.96Å; Y801-V821 HydrophobicContact CD1-CG2 4.4Å; Y801-V821 HydrophobicContact CE1-CG2 3.86Å; Y801-V821 HydrophobicContact CE2-CG2 4.42Å; Y801-I854 VanDerWaalsContact CD1-O 3.26Å; Y801-I854 WeakPolarHBondContact CD1-O 3.48Å; Y801-I854 VanDerWaalsContact CE1-C 3.41Å; Y801-I854 WeakPolarHBondContact CE1-O 3.45Å; Y801-I854 PolarHBondContact N-O 3.44Å; Y801-P855 HydrophobicContact CE2-CB 4.48Å; Y801-C856 WeakPolarHBondContact O-CB 3.5Å; Y801-C856 PolarHBondContact O-N 2.87Å; Y801-C856 PolarHBondContact O-SG 2.84Å; Y801-C856 VanDerWaalsContact O-SG 3.36Å
802D84.6Confident58.7Low6 Ų678.9 Ų78.93%0.03243%0.434CS..  trans-84.1116.3172.9-176.1-6.6000110.9F714 V715 V718 G804 V805F714-D802 HydrophobicContact CD1-CB 3.78Å; F714-D802 HydrophobicContact CE1-CB 4.15Å; F714-D802 HydrophobicContact CG-CB 4.37Å; V715-D802 PolarHBondContact N-OD2 3.18Å; V718-D802 WeakPolarHBondContact CG2-OD1 3.44Å; D802-G804 PolarHBondContact O-N 3.43Å; D802-G804 WeakPolarHBondContact OD1-CA 3.32Å; D802-G804 PolarHBondContact OD1-N 3.45Å; D802-V805 HydrophobicContact CB-CG2 3.93Å
803P74.8Confident58.4Low58 Ų5876.4 Ų76.438%0.37743%0.428SS..THydrogen-bonded Turntrans-69.7-13.2176.930.2-35.6000113.7Y801 P855Y801-P803 HydrophobicContact CE2-CB 4.29Å; Y801-P803 WeakPolarHBondContact O-CD 3.31Å; P803-P855 HydrophobicContact CG-CB 4.23Å
804G66.2Low57.9Low57 Ų5779 Ų7959%0.58843%0.433SS*.THydrogen-bonded Turntrans-80-13-178.300000115.3D802 L806D802-G804 PolarHBondContact O-N 3.43Å; D802-G804 WeakPolarHBondContact OD1-CA 3.32Å; D802-G804 PolarHBondContact OD1-N 3.45Å; G804-L806 PolarHBondContact O-N 2.87Å
805V56.9Low57.4Low49 Ų4983.1 Ų83.130%0.29745%0.451SS..  trans-83.360.3-173.1-169.90000112.3N713 V715 D802 S807N713-V805 WeakPolarHBondContact O-CG2 3.28Å; V715-V805 HydrophobicContact CB-CG2 4.46Å; V715-V805 HydrophobicContact CG2-CG2 3.91Å; D802-V805 HydrophobicContact CB-CG2 3.93Å; V805-S807 VanDerWaalsContact C-N 3.26Å; V805-S807 PolarHBondContact O-N 3.04Å; V805-S807 VanDerWaalsContact O-N 3.08Å
806L49.8Very low56.7Low135 Ų13589.6 Ų89.671%0.70748%0.476SS*.  trans-75.982.1156.4-72.8174.3000108.9G804 K808G804-L806 PolarHBondContact O-N 2.87Å; L806-K808 PolarHBondContact O-N 3.1Å
807S40Very low55.9Low96 Ų9691.5 Ų91.567%0.67149%0.489SS*.  trans-65.697.8176.149.20000110.7V805 P809V805-S807 VanDerWaalsContact C-N 3.26Å; V805-S807 PolarHBondContact O-N 3.04Å; V805-S807 VanDerWaalsContact O-N 3.08Å; S807-P809 WeakPolarHBondContact O-CD 3.28Å
808K33Very low55Low195 Ų19594.1 Ų94.185%0.84850%0.503SS*.  trans-59.8123.9175.5-65.6165.4-178.5163.80110.9L806L806-K808 PolarHBondContact O-N 3.1Å
809P36.5Very low54.4Low88 Ų8898.3 Ų98.357%0.57152%0.519SS*.  -95.7140.5121.431.3-31.6000108.7S807 N811S807-P809 WeakPolarHBondContact O-CD 3.28Å; P809-N811 VanDerWaalsContact C-N 3.32Å; P809-N811 PolarHBondContact O-N 3.08Å; P809-N811 VanDerWaalsContact O-N 3.15Å
810K32.9Very low53.8Low196 Ų19698.5 Ų98.585%0.85252%0.52SS*.SBendtrans-79.488.9161.2-68.6-178-178.7179.90107.4
811N28.7Very low53.4Low140 Ų140100.3 Ų100.375%0.74953%0.531SS*.SBendtrans172.9155.5148.2-88.8-6.7000110.6P809P809-N811 VanDerWaalsContact C-N 3.32Å; P809-N811 PolarHBondContact O-N 3.08Å; P809-N811 VanDerWaalsContact O-N 3.15Å
812E31.6Very low53.1Low194 Ų194102 Ų10291%0.90754%0.54SS*.  trans67.9154.9173.9-68.7169.9-159.700116.8
813S31.3Very low53Low96 Ų96101.9 Ų101.967%0.67154%0.539SS*.  trans-104.6-175.9-158.649.80000113.1
814F32.8Very low53.5Low194 Ų19499.2 Ų99.285%0.85152%0.522SS*.SBendtrans78.1149.2-177.1-59.3-83.8000116.1K816F814-K816 PolarHBondContact O-N 2.88Å; F814-K816 VanDerWaalsContact O-N 3.1Å
815N39.6Very low54.3Low166 Ų166100.3 Ų100.389%0.88852%0.518SS*.  trans-67.8104.8-173.1-66.5-20.1000110.4S817N815-S817 PolarHBondContact O-N 3.39Å
816K44.3Very low55.6Low161 Ų161102.8 Ų102.870%0.752%0.524SS*.  trans-74.4107.7161.8-80.6-177.3174173.80109.1F814F814-K816 PolarHBondContact O-N 2.88Å; F814-K816 VanDerWaalsContact O-N 3.1Å
817S55.7Low57.2Low68 Ų6896.3 Ų96.348%0.47649%0.491SS..  trans-59.6154.2166.9160000110.7N815 Y819 E822N815-S817 PolarHBondContact O-N 3.39Å; S817-Y819 PolarHBondContact O-N 2.74Å; S817-E822 WeakPolarHBondContact CB-OE1 3.33Å; S817-E822 WeakPolarHBondContact OG-CG 3.12Å; S817-E822 PolarHBondContact OG-OE1 2.96Å
818I66.2Low59.3Low55 Ų5594.6 Ų94.628%0.28247%0.473SS..  trans-69.6127.6-178.3-60174.7000108.4Y801 A820 V821 E822Y801-I818 HydrophobicContact CD2-CD1 4.31Å; Y801-I818 HydrophobicContact CD2-CG2 3.79Å; Y801-I818 HydrophobicContact CE2-CD1 3.65Å; Y801-I818 HydrophobicContact CE2-CG2 4.12Å; Y801-I818 HydrophobicContact CG-CG2 4.49Å; I818-A820 PolarHBondContact O-N 3.19Å; I818-V821 HydrophobicContact CB-CG2 4.13Å; I818-V821 WeakPolarHBondContact O-CA 3.44Å; I818-V821 WeakPolarHBondContact O-CB 3.49Å; I818-V821 PolarHBondContact O-N 3.33Å; I818-E822 PolarHBondContact O-N 3.15Å
819Y73.8Confident61.8Low91 Ų9188.7 Ų88.736%0.35746%0.457SS..Hα-helixtrans-48.6-39.4-173.7166.2-103.8000114.2L711 V741 C742 S817 E822 T823L711-Y819 HydrophobicContact CD2-CE1 4.41Å; V741-Y819 WeakPolarHBondContact CG1-OH 3.39Å; C742-Y819 PolarHBondContact N-OH 3.3Å; C742-Y819 VanDerWaalsContact N-OH 3.15Å; C742-Y819 PolarHBondContact O-OH 3.48Å; S817-Y819 PolarHBondContact O-N 2.74Å; Y819-E822 PolarHBondContact O-N 2.87Å; Y819-T823 VanDerWaalsContact CE2-OG1 3.31Å; Y819-T823 WeakPolarHBondContact CE2-OG1 3.41Å; Y819-T823 WeakPolarHBondContact O-CB 3.03Å; Y819-T823 PolarHBondContact O-N 3.04Å; Y819-T823 PolarHBondContact O-OG1 3.36Å
820A75.2Confident63.9Low3 Ų385 Ų853%0.02543%0.432CS..Hα-helixtrans-64.9-39.3176.200000112.9L711 Y801 I818 T823 V824L711-A820 HydrophobicContact CB-CB 4.28Å; Y801-A820 VanDerWaalsContact CB-CB 3.45Å; Y801-A820 HydrophobicContact CD1-CB 4.28Å; Y801-A820 HydrophobicContact CG-CB 3.96Å; I818-A820 PolarHBondContact O-N 3.19Å; A820-T823 PolarHBondContact O-N 2.7Å; A820-V824 WeakPolarHBondContact O-CB 3.3Å; A820-V824 VanDerWaalsContact O-CG2 3.31Å; A820-V824 WeakPolarHBondContact O-CG2 3.47Å; A820-V824 PolarHBondContact O-N 3.14Å
821V80.6Confident66.2Low38 Ų3876.3 Ų76.323%0.2340%0.395CS..Hα-helixtrans-71.6-37.4176.5-176.30000111Y801 I818 T823 V824 T825Y801-V821 HydrophobicContact CD1-CG2 4.4Å; Y801-V821 HydrophobicContact CE1-CG2 3.86Å; Y801-V821 HydrophobicContact CE2-CG2 4.42Å; I818-V821 HydrophobicContact CB-CG2 4.13Å; I818-V821 WeakPolarHBondContact O-CA 3.44Å; I818-V821 WeakPolarHBondContact O-CB 3.49Å; I818-V821 PolarHBondContact O-N 3.33Å; V821-T823 VanDerWaalsContact C-N 3.32Å; V821-T823 PolarHBondContact O-N 2.74Å; V821-V824 PolarHBondContact O-N 2.74Å; V821-T825 WeakPolarHBondContact O-CB 3.14Å; V821-T825 WeakPolarHBondContact O-CG2 3.41Å; V821-T825 PolarHBondContact O-N 3.42Å; V821-T825 PolarHBondContact O-OG1 3.23Å
822E81.6Confident68.3Low56 Ų5674.2 Ų74.226%0.26238%0.379SS..Hα-helixtrans-62.8-39.5170.3-64-168177.100112S817 I818 Y819 T825 K826S817-E822 WeakPolarHBondContact CB-OE1 3.33Å; S817-E822 WeakPolarHBondContact OG-CG 3.12Å; S817-E822 PolarHBondContact OG-OE1 2.96Å; I818-E822 PolarHBondContact O-N 3.15Å; Y819-E822 PolarHBondContact O-N 2.87Å; E822-T825 WeakPolarHBondContact CA-OG1 3.44Å; E822-T825 PolarHBondContact O-OG1 3.24Å; E822-K826 WeakPolarHBondContact O-CB 3.43Å; E822-K826 WeakPolarHBondContact O-CD 3.12Å; E822-K826 WeakPolarHBondContact O-CG 3.49Å; E822-K826 PolarHBondContact O-N 3.04Å
823T82.5Confident70.2Confident3 Ų368.2 Ų68.22%0.01836%0.357CS..Hα-helixtrans-71.4-39.4180-55.80000110.9P744 L747 Y819 A820 V821 A827P744-T823 HydrophobicContact CG-CG2 4.28Å; L747-T823 HydrophobicContact CD2-CG2 3.98Å; Y819-T823 VanDerWaalsContact CE2-OG1 3.31Å; Y819-T823 WeakPolarHBondContact CE2-OG1 3.41Å; Y819-T823 WeakPolarHBondContact O-CB 3.03Å; Y819-T823 PolarHBondContact O-N 3.04Å; Y819-T823 PolarHBondContact O-OG1 3.36Å; A820-T823 PolarHBondContact O-N 2.7Å; V821-T823 VanDerWaalsContact C-N 3.32Å; V821-T823 PolarHBondContact O-N 2.74Å; T823-A827 WeakPolarHBondContact O-CB 3.44Å; T823-A827 PolarHBondContact O-N 3.2Å
824V83.7Confident71.8Confident3 Ų366.9 Ų66.92%0.01834%0.339CS..Hα-helixtrans-66.6-43.7174.2166.30000112.1L747 V799 A820 V821 A827 L828 L851L747-V824 HydrophobicContact CD2-CG2 3.89Å; V799-V824 HydrophobicContact CB-CG2 3.76Å; V799-V824 HydrophobicContact CG1-CG2 3.79Å; V799-V824 HydrophobicContact CG2-CG2 3.78Å; A820-V824 WeakPolarHBondContact O-CB 3.3Å; A820-V824 VanDerWaalsContact O-CG2 3.31Å; A820-V824 WeakPolarHBondContact O-CG2 3.47Å; A820-V824 PolarHBondContact O-N 3.14Å; V821-V824 PolarHBondContact O-N 2.74Å; V824-A827 PolarHBondContact O-N 3.31Å; V824-L828 HydrophobicContact CG1-CD1 3.95Å; V824-L828 HydrophobicContact CG1-CG 4.46Å; V824-L828 WeakPolarHBondContact O-CB 3.34Å; V824-L828 WeakPolarHBondContact O-CG 3.3Å; V824-L828 PolarHBondContact O-N 2.92Å; V824-L851 HydrophobicContact CG1-CB 4.28Å
825T84.3Confident72.5Confident80 Ų8067.7 Ų67.749%0.49134%0.342SS..Hα-helixtrans-67.4-39.7178.747.40000112V821 E822 L828 S829V821-T825 WeakPolarHBondContact O-CB 3.14Å; V821-T825 WeakPolarHBondContact O-CG2 3.41Å; V821-T825 PolarHBondContact O-N 3.42Å; V821-T825 PolarHBondContact O-OG1 3.23Å; E822-T825 WeakPolarHBondContact CA-OG1 3.44Å; E822-T825 PolarHBondContact O-OG1 3.24Å; T825-L828 PolarHBondContact O-N 3.26Å; T825-S829 PolarHBondContact O-N 3.05Å; T825-S829 VanDerWaalsContact O-N 3.11Å
826K84Confident72.4Confident100 Ų10064.4 Ų64.444%0.43533%0.332SS..Hα-helixtrans-61.1-47.9169.3-71.5167.9-174.1168.70111.7P744 E822 L828 S829 L830P744-K826 HydrophobicContact CB-CB 3.69Å; P744-K826 HydrophobicContact CG-CB 3.8Å; P744-K826 HydrophobicContact CG-CD 4.05Å; E822-K826 WeakPolarHBondContact O-CB 3.43Å; E822-K826 WeakPolarHBondContact O-CD 3.12Å; E822-K826 WeakPolarHBondContact O-CG 3.49Å; E822-K826 PolarHBondContact O-N 3.04Å; K826-L828 VanDerWaalsContact C-N 3.35Å; K826-L828 PolarHBondContact O-N 3.15Å; K826-S829 PolarHBondContact O-N 3.18Å; K826-S829 VanDerWaalsContact O-N 3.11Å; K826-S829 PolarHBondContact O-OG 2.97Å; K826-L830 PolarHBondContact O-N 3.39Å
827A83.8Confident71.9Confident0 Ų062.6 Ų62.60%034%0.335CS..Hα-helixtrans-61.2-40.3178.700000112.5P744 L747 A748 T823 V824 S829 L830 I831 L851P744-A827 HydrophobicContact CB-CB 4.34Å; P744-A827 WeakPolarHBondContact O-CB 3.38Å; L747-A827 HydrophobicContact CB-CB 4.2Å; L747-A827 HydrophobicContact CD2-CB 3.93Å; L747-A827 HydrophobicContact CG-CB 4.08Å; A748-A827 HydrophobicContact CB-CB 4.07Å; T823-A827 WeakPolarHBondContact O-CB 3.44Å; T823-A827 PolarHBondContact O-N 3.2Å; V824-A827 PolarHBondContact O-N 3.31Å; A827-S829 VanDerWaalsContact C-N 3.35Å; A827-S829 PolarHBondContact O-N 3.11Å; A827-L830 PolarHBondContact O-N 2.97Å; A827-I831 WeakPolarHBondContact O-CG1 3.45Å; A827-L851 HydrophobicContact CB-CD1 3.61Å
828L83.9Confident70.7Confident59 Ų5967.8 Ų67.831%0.30936%0.357SS..Hα-helixtrans-61.8-39.1173.4-78167.5000112.2V824 T825 K826 L830 I831 P850 L851V824-L828 HydrophobicContact CG1-CD1 3.95Å; V824-L828 HydrophobicContact CG1-CG 4.46Å; V824-L828 WeakPolarHBondContact O-CB 3.34Å; V824-L828 WeakPolarHBondContact O-CG 3.3Å; V824-L828 PolarHBondContact O-N 2.92Å; T825-L828 PolarHBondContact O-N 3.26Å; K826-L828 VanDerWaalsContact C-N 3.35Å; K826-L828 PolarHBondContact O-N 3.15Å; L828-L830 PolarHBondContact O-N 3.15Å; L828-I831 PolarHBondContact O-N 3.38Å; L828-I831 VanDerWaalsContact O-N 3.15Å; L828-P850 HydrophobicContact CD2-CG 4.34Å; L828-L851 HydrophobicContact CD2-CB 3.94Å; L828-L851 HydrophobicContact CG-CB 4.12Å
829S84.2Confident68.8Low71 Ų7170.7 Ų70.750%0.49738%0.378SS..Hα-helixtrans-64.8-26.6176.873.60000113.8T825 K826 A827 I831T825-S829 PolarHBondContact O-N 3.05Å; T825-S829 VanDerWaalsContact O-N 3.11Å; K826-S829 PolarHBondContact O-N 3.18Å; K826-S829 VanDerWaalsContact O-N 3.11Å; K826-S829 PolarHBondContact O-OG 2.97Å; A827-S829 VanDerWaalsContact C-N 3.35Å; A827-S829 PolarHBondContact O-N 3.11Å; S829-I831 VanDerWaalsContact C-N 3.34Å
830L81.6Confident66.7Low11 Ų1174.4 Ų74.46%0.05840%0.403CS..THydrogen-bonded Turntrans-81.7-6.3176.3-64.1174000113.9P744 I745 A748 L763 N764 E767 K826 A827 L828P744-L830 HydrophobicContact CB-CD1 4.21Å; I745-L830 HydrophobicContact CB-CD1 4.16Å; A748-L830 HydrophobicContact CB-CB 4.38Å; L763-L830 HydrophobicContact CD1-CB 4.44Å; N764-L830 WeakPolarHBondContact CB-O 3.45Å; N764-L830 PolarHBondContact N-O 3.01Å; E767-L830 HydrophobicContact CB-CD2 3.76Å; K826-L830 PolarHBondContact O-N 3.39Å; A827-L830 PolarHBondContact O-N 2.97Å; L828-L830 PolarHBondContact O-N 3.15Å
831I80.1Confident64.5Low13 Ų1380.2 Ų80.27%0.06744%0.443CS..EExtended strand (participates in β ladder)trans-104.9135.9-178.4-62.9166000109.8A748 A751 W761 A827 L828 S829 P850 L851A748-I831 HydrophobicContact CB-CD1 4.03Å; A748-I831 HydrophobicContact CB-CG1 3.86Å; A751-I831 HydrophobicContact CB-CD1 4.25Å; W761-I831 HydrophobicContact CB-CG2 4.02Å; W761-I831 HydrophobicContact CD2-CG2 4.09Å; W761-I831 HydrophobicContact CE3-CG2 3.55Å; W761-I831 HydrophobicContact CG-CG2 4.32Å; W761-I831 HydrophobicContact CZ3-CG2 4.32Å; A827-I831 WeakPolarHBondContact O-CG1 3.45Å; L828-I831 PolarHBondContact O-N 3.38Å; L828-I831 VanDerWaalsContact O-N 3.15Å; S829-I831 VanDerWaalsContact C-N 3.34Å; I831-P850 HydrophobicContact CD1-CG 4.07Å; I831-P850 HydrophobicContact CG2-CG 4.16Å; I831-L851 HydrophobicContact CD1-CD1 3.9Å
832K74.6Confident62Low96 Ų9683.4 Ų83.442%0.41747%0.467SS..EExtended strand (participates in β ladder)trans-132.8143.9176.5-69.3179.4179.2170.60111.7D762 N764D762-K832 PolarHBondContact N-O 3.09Å; D762-K832 PolarHBondContact O-N 3.04Å; N764-K832 HydrophobicContact CB-CD 4.13Å; N764-K832 HydrophobicContact CB-CG 4.46Å; N764-K832 VanDerWaalsContact CG-CE 3.44Å; N764-K832 WeakPolarHBondContact ND2-CE 3.42Å; N764-K832 PolarHBondContact ND2-NZ 3.23Å; N764-K832 PolarHBondContact OD1-NZ 3.17Å
833P70Confident59.9Low68 Ų6883.8 Ų83.844%0.44248%0.476SS..EExtended strand (participates in β ladder)trans-72.7142.4174.629.9-33.8000111.2I760 W761 K835I760-P833 CarbonylContact O-C 3.53Å; I760-P833 WeakPolarHBondContact O-CA 2.96Å; W761-P833 HydrophobicContact CE3-CB 4.09Å; W761-P833 HydrophobicContact CZ3-CB 4.08Å; W761-P833 HydrophobicContact CZ3-CG 4.35Å; P833-K835 PolarHBondContact O-N 3.25Å
834K64.6Low57.9Low69 Ų6987.5 Ų87.530%0.351%0.507SS..  trans-73.1110.2-179.6-74.3-174.1171.1177.50111.3S758 I760 W761 D762 S836S758-K834 PolarHBondContact O-NZ 2.94Å; I760-K834 PolarHBondContact O-N 2.86Å; W761-K834 WeakPolarHBondContact O-CE 3.32Å; D762-K834 HydrophobicContact CB-CD 4.41Å; D762-K834 HydrophobicContact CB-CG 4Å; D762-K834 VanDerWaalsContact CG-NZ 3.34Å; D762-K834 WeakPolarHBondContact OD1-CE 3.34Å; D762-K834 IonicContact OD1-NZ 2.82Å; D762-K834 PolarHBondContact OD1-NZ 3.43Å; D762-K834 WeakPolarHBondContact OD2-CE 3.28Å; D762-K834 IonicContact OD2-NZ 3.61Å; K834-S836 PolarHBondContact O-N 3.15Å
835K49.1Very low56Low210 Ų21094.3 Ų94.391%0.91354%0.543SS*.  trans-76.161.1176-68.2-169.2174.4-172.80112.7P833P833-K835 PolarHBondContact O-N 3.25Å
836S36.8Very low54.3Low97 Ų9796 Ų9668%0.67855%0.549SS*.  trans-155.954.5-178.666.10000116.9K834K834-S836 PolarHBondContact O-N 3.15Å
837T34.3Very low52.9Low123 Ų12395.2 Ų95.276%0.75555%0.549SS*.  trans-139.2114.2154.545.10000111T839T837-T839 PolarHBondContact O-N 2.73Å; T837-T839 VanDerWaalsContact O-N 3.13Å
838N29.3Very low51.8Low178 Ų17899.5 Ų99.595%0.95258%0.577SS**  trans-81.176.6172-82.3-16.8000111
839T27.5Very low51.1Low115 Ų11599.6 Ų99.671%0.70658%0.581SS**  trans-157.9123.2163.47.80000112.9T837T837-T839 PolarHBondContact O-N 2.73Å; T837-T839 VanDerWaalsContact O-N 3.13Å
840L29.1Very low50.6Low169 Ų16996.4 Ų96.489%0.88556%0.559SS**  trans62146.3170.7-87.268000118.2
841S28.5Very low50.6Low125 Ų12596 Ų9687%0.87456%0.557SS**  trans-84.7113-179.550.80000112.3
842S29.1Very low50.8Low106 Ų10697.7 Ų97.774%0.74156%0.564SS**  trans-138.9152.2151.457.90000108.6
843S36.2Very low51.3Low64 Ų6493.7 Ų93.745%0.44855%0.549SS..  trans-62.1146.6-179.6-12.50000110.5D845 D846S843-D845 PolarHBondContact O-N 3.47Å; S843-D846 WeakPolarHBondContact CB-OD2 3.25Å; S843-D846 PolarHBondContact N-OD2 2.98Å; S843-D846 PolarHBondContact O-N 3.02Å; S843-D846 PolarHBondContact OG-OD2 3.48Å
844A40.7Very low52.1Low80 Ų8090.5 Ų90.566%0.66153%0.528SS*.G310 helixtrans-67.9-16.6172.500000112.2
845D45.4Very low53.3Low147 Ų14788.1 Ų88.179%0.78652%0.519SS*.G310 helixtrans-80.2-12.4-177.4-45.6-76.4000113.7S843S843-D845 PolarHBondContact O-N 3.47Å
846D47.4Very low55.1Low114 Ų11478.1 Ų78.161%0.6148%0.476SS*.G310 helixtrans-87.1-4.3-176-67.4-60.9000114.1S843S843-D846 WeakPolarHBondContact CB-OD2 3.25Å; S843-D846 PolarHBondContact N-OD2 2.98Å; S843-D846 PolarHBondContact O-N 3.02Å; S843-D846 PolarHBondContact OG-OD2 3.48Å
847L54.2Low57.5Low84 Ų8476.1 Ų76.144%0.4446%0.46SS..SBendtrans-85127.5176.8-77.6169.7000111.1I760 W761I760-L847 HydrophobicContact CG2-CD1 4.05Å; W761-L847 HydrophobicContact CZ2-CB 4.29Å
848P61.4Low60.1Low90 Ų9070.9 Ų70.958%0.58443%0.426SS*.PPolyproline II helixtrans-63.2141.917826.7-34.1000110.9
849P68.6Low63Low61 Ų6162.4 Ų62.440%0.39638%0.381SS..PPolyproline II helixtrans-64.2138.4-174.526-34.7000111.2S796 L851S796-P849 WeakPolarHBondContact CB-O 3.22Å; P849-L851 PolarHBondContact O-N 2.87Å
850P75.3Confident66Low4 Ų457.3 Ų57.33%0.02635%0.349CS..SBendtrans-69.9-17-175.227.8-34.7000113.3W761 L797 L828 I831W761-P850 HydrophobicContact CD2-CG 4.19Å; W761-P850 HydrophobicContact CE3-CG 4.46Å; W761-P850 HydrophobicContact CZ2-CG 4.34Å; L797-P850 PolarHBondContact N-O 3.3Å; L828-P850 HydrophobicContact CD2-CG 4.34Å; I831-P850 HydrophobicContact CD1-CG 4.07Å; I831-P850 HydrophobicContact CG2-CG 4.16Å
851L81.5Confident68.9Low2 Ų251.7 Ų51.71%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-127.2137.9173.4-79.9162.1000109.7L747 A751 L797 V799 V824 A827 L828 I831 P849L747-L851 HydrophobicContact CD1-CD2 3.69Å; L747-L851 HydrophobicContact CD2-CD1 4.45Å; L747-L851 HydrophobicContact CD2-CD2 4.28Å; L747-L851 HydrophobicContact CG-CD1 4.09Å; L747-L851 HydrophobicContact CG-CD2 3.83Å; A751-L851 HydrophobicContact CB-CD1 3.94Å; A751-L851 HydrophobicContact CB-CD2 3.93Å; A751-L851 HydrophobicContact CB-CG 3.58Å; L797-L851 HydrophobicContact CB-CD2 4.03Å; L797-L851 HydrophobicContact CD2-CD2 3.99Å; L797-L851 HydrophobicContact CG-CD2 4.11Å; V799-L851 HydrophobicContact CG2-CD2 3.92Å; V824-L851 HydrophobicContact CG1-CB 4.28Å; A827-L851 HydrophobicContact CB-CD1 3.61Å; L828-L851 HydrophobicContact CD2-CB 3.94Å; L828-L851 HydrophobicContact CG-CB 4.12Å; I831-L851 HydrophobicContact CD1-CD1 3.9Å; P849-L851 PolarHBondContact O-N 2.87Å
852Q83.5Confident71.8Confident49 Ų4945.7 Ų45.723%0.22928%0.279CS..EExtended strand (participates in β ladder)trans-139.7125171-168.9171.70.700110.8L797 L798 V799 I854L797-Q852 PolarHBondContact O-N 3.15Å; L797-Q852 VanDerWaalsContact O-N 3.15Å; L798-Q852 HydrophobicContact CD2-CB 4.17Å; V799-Q852 PolarHBondContact N-O 2.85Å; Q852-I854 HydrophobicContact CG-CD1 4.49Å; Q852-I854 HydrophobicContact CG-CG1 4.23Å
853S85.6Confident74.7Confident13 Ų1340.7 Ų40.79%0.09124%0.243CC..EExtended strand (participates in β ladder)trans-81.3131.3173.254.60000110.6V799V799-S853 WeakPolarHBondContact O-CA 3.39Å
854I87Confident77.3Confident0 Ų037.7 Ų37.70%022%0.222CC..EExtended strand (participates in β ladder)trans-137.2137.1-178.3-64.9171.7000109.2L798 V799 L800 Y801 Q852 W858 F871 P872L798-I854 HydrophobicContact CB-CD1 4.37Å; L798-I854 HydrophobicContact CD1-CD1 4.15Å; L798-I854 HydrophobicContact CD2-CD1 3.9Å; L798-I854 HydrophobicContact CG-CD1 4.36Å; V799-I854 PolarHBondContact O-N 2.89Å; L800-I854 VanDerWaalsContact CA-O 3.3Å; L800-I854 WeakPolarHBondContact CA-O 3.48Å; L800-I854 HydrophobicContact CD2-CB 3.84Å; L800-I854 HydrophobicContact CD2-CG2 3.73Å; Y801-I854 VanDerWaalsContact CD1-O 3.26Å; Y801-I854 WeakPolarHBondContact CD1-O 3.48Å; Y801-I854 VanDerWaalsContact CE1-C 3.41Å; Y801-I854 WeakPolarHBondContact CE1-O 3.45Å; Y801-I854 PolarHBondContact N-O 3.44Å; Q852-I854 HydrophobicContact CG-CD1 4.49Å; Q852-I854 HydrophobicContact CG-CG1 4.23Å; I854-W858 HydrophobicContact CG2-CB 3.66Å; I854-W858 HydrophobicContact CG2-CD2 4.04Å; I854-W858 HydrophobicContact CG2-CE3 4.13Å; I854-W858 HydrophobicContact CG2-CG 3.86Å; I854-F871 HydrophobicContact CD1-CD1 3.39Å; I854-F871 HydrophobicContact CD1-CE1 3.6Å; I854-F871 HydrophobicContact CD1-CG 4.13Å; I854-F871 HydrophobicContact CD1-CZ 4.47Å; I854-F871 HydrophobicContact CG1-CD1 4.43Å; I854-P872 HydrophobicContact CG2-CG 4.39Å
855P88.1Confident79.4Confident19 Ų1937 Ų3712%0.12321%0.206CC..EExtended strand (participates in β ladder)trans-66.5135.5172.727.8-35.1000111.1Y801 P803 T857 W858 P872Y801-P855 HydrophobicContact CE2-CB 4.48Å; P803-P855 HydrophobicContact CG-CB 4.23Å; P855-T857 PolarHBondContact O-N 3.08Å; P855-W858 WeakPolarHBondContact O-CB 3.29Å; P855-W858 PolarHBondContact O-N 3.02Å; P855-P872 HydrophobicContact CG-CG 3.86Å
856C88.1Confident81.5Confident0 Ų031 Ų310%017%0.172CC..THydrogen-bonded Turntrans-60.8-16.4-175.163.40000115F714 V718 L724 L800 Y801 W858 L859F714-C856 HydrophobicContact CE1-CB 3.92Å; V718-C856 WeakPolarHBondContact CG1-SG 3.44Å; L724-C856 HydrophobicContact CD1-CB 4.18Å; L800-C856 HydrophobicContact CB-CB 4.46Å; Y801-C856 WeakPolarHBondContact O-CB 3.5Å; Y801-C856 PolarHBondContact O-N 2.87Å; Y801-C856 PolarHBondContact O-SG 2.84Å; Y801-C856 VanDerWaalsContact O-SG 3.36Å; C856-W858 VanDerWaalsContact C-N 3.27Å; C856-W858 PolarHBondContact O-N 2.88Å; C856-L859 PolarHBondContact O-N 3.44Å
857T86.5Confident83.3Confident56 Ų5632.9 Ų32.934%0.34417%0.171SC..Hα-helixtrans-58.9-37.4171.552.10000112P855 L859 L860 D861P855-T857 PolarHBondContact O-N 3.08Å; T857-L859 VanDerWaalsContact C-N 3.26Å; T857-L859 PolarHBondContact O-N 3.08Å; T857-L860 CarbonylContact O-C 3.58Å; T857-L860 WeakPolarHBondContact O-CA 3.48Å; T857-L860 VanDerWaalsContact O-CB 3.31Å; T857-L860 WeakPolarHBondContact O-CB 3.44Å; T857-L860 PolarHBondContact O-N 3.3Å; T857-D861 VanDerWaalsContact O-CG 3.26Å; T857-D861 PolarHBondContact O-N 2.89Å
858W89.4Confident84.7Confident12 Ų1233.1 Ų33.15%0.04517%0.172CC..Hα-helixtrans-54.6-40178.7176.289000112.5L706 I854 P855 C856 L860 D861 C862 L868 L869 P870 F871L706-W858 HydrophobicContact CD1-CH2 4.21Å; I854-W858 HydrophobicContact CG2-CB 3.66Å; I854-W858 HydrophobicContact CG2-CD2 4.04Å; I854-W858 HydrophobicContact CG2-CE3 4.13Å; I854-W858 HydrophobicContact CG2-CG 3.86Å; P855-W858 WeakPolarHBondContact O-CB 3.29Å; P855-W858 PolarHBondContact O-N 3.02Å; C856-W858 VanDerWaalsContact C-N 3.27Å; C856-W858 PolarHBondContact O-N 2.88Å; W858-L860 VanDerWaalsContact C-N 3.34Å; W858-L860 PolarHBondContact O-N 2.92Å; W858-D861 PolarHBondContact O-N 2.82Å; W858-C862 WeakPolarHBondContact O-CB 3.41Å; W858-C862 PolarHBondContact O-N 3.46Å; W858-C862 PolarHBondContact O-SG 3.2Å; W858-L868 HydrophobicContact CH2-CD2 4.29Å; W858-L869 PolarHBondContact NE1-O 3.13Å; W858-L869 VanDerWaalsContact NE1-O 3.08Å; W858-P870 PolarHBondContact NE1-O 3.18Å; W858-F871 AromaticContact CE2-CD1 3.86Å; W858-F871 HydrophobicContact CH2-CD1 4.34Å; W858-F871 AromaticContact CH2-CE1 3.78Å; W858-F871 HydrophobicContact CH2-CE1 3.78Å; W858-F871 AromaticContact CZ2-CD1 3.71Å; W858-F871 HydrophobicContact CZ2-CD1 3.71Å; W858-F871 AromaticContact CZ2-CE1 3.51Å; W858-F871 HydrophobicContact CZ2-CE1 3.51Å
859L90.4Very high85.7Confident0 Ų030.7 Ų30.70%015%0.154CC..Hα-helixtrans-62.7-41.8175.4-173.178.3000111.5F703 I708 F710 L727 A728 L800 C856 T857 A863F703-L859 HydrophobicContact CD1-CD1 4.45Å; F703-L859 HydrophobicContact CD2-CD1 3.85Å; F703-L859 HydrophobicContact CE1-CD1 4.1Å; F703-L859 HydrophobicContact CE2-CD1 3.45Å; F703-L859 VanDerWaalsContact CE2-CD1 3.45Å; F703-L859 HydrophobicContact CE2-CG 4.17Å; F703-L859 HydrophobicContact CG-CD1 4.36Å; F703-L859 HydrophobicContact CZ-CD1 3.6Å; F703-L859 HydrophobicContact CZ-CG 4.26Å; I708-L859 HydrophobicContact CD1-CD1 4.17Å; F710-L859 HydrophobicContact CE1-CD2 4.33Å; F710-L859 HydrophobicContact CZ-CD2 4.02Å; L727-L859 HydrophobicContact CD2-CD2 4.34Å; A728-L859 HydrophobicContact CB-CD2 4.21Å; L800-L859 HydrophobicContact CD1-CB 4.16Å; L800-L859 HydrophobicContact CD1-CD1 4.31Å; L800-L859 HydrophobicContact CD1-CD2 4.05Å; L800-L859 HydrophobicContact CD1-CG 4.41Å; C856-L859 PolarHBondContact O-N 3.44Å; T857-L859 VanDerWaalsContact C-N 3.26Å; T857-L859 PolarHBondContact O-N 3.08Å; L859-A863 WeakPolarHBondContact O-CB 3.21Å; L859-A863 PolarHBondContact O-N 2.82Å
860L90.9Very high86.3Confident8 Ų833.1 Ų33.14%0.04217%0.169CC..Hα-helixtrans-69.1-36.2177.8-53.1179.2000111.5R639 L644 P719 L724 L727 T857 W858 A864R639-L860 VanDerWaalsContact NH2-CB 3.29Å; R639-L860 PolarHBondContact NH2-O 3.41Å; L644-L860 HydrophobicContact CD1-CB 4.16Å; L644-L860 HydrophobicContact CD1-CD2 4.02Å; P719-L860 HydrophobicContact CG-CD1 4.41Å; P719-L860 HydrophobicContact CG-CD2 4.45Å; L724-L860 HydrophobicContact CD2-CD2 3.88Å; L727-L860 HydrophobicContact CD2-CD2 3.45Å; L727-L860 VanDerWaalsContact CD2-CD2 3.45Å; T857-L860 CarbonylContact O-C 3.58Å; T857-L860 WeakPolarHBondContact O-CA 3.48Å; T857-L860 VanDerWaalsContact O-CB 3.31Å; T857-L860 WeakPolarHBondContact O-CB 3.44Å; T857-L860 PolarHBondContact O-N 3.3Å; W858-L860 VanDerWaalsContact C-N 3.34Å; W858-L860 PolarHBondContact O-N 2.92Å; L860-A864 PolarHBondContact O-N 3.29Å; L860-A864 VanDerWaalsContact O-N 3.13Å
861D89.2Confident86.4Confident51 Ų5136.6 Ų36.627%0.27318%0.184SC..Hα-helixtrans-74.4-45.6-177.4-62.6-40.3000110.2R639 T857 W858 A863 A864 E865 L869R639-D861 IonicContact CZ-OD1 3.8Å; R639-D861 IonicContact NH1-OD1 3.87Å; R639-D861 PolarHBondContact NH1-OD1 3.44Å; R639-D861 VanDerWaalsContact NH2-CA 3.32Å; R639-D861 IonicContact NH2-OD1 2.7Å; R639-D861 PolarHBondContact NH2-OD1 2.87Å; T857-D861 VanDerWaalsContact O-CG 3.26Å; T857-D861 PolarHBondContact O-N 2.89Å; W858-D861 PolarHBondContact O-N 2.82Å; D861-A863 PolarHBondContact O-N 3.05Å; D861-A864 WeakPolarHBondContact O-CB 3.23Å; D861-A864 PolarHBondContact O-N 2.99Å; D861-E865 PolarHBondContact O-N 3Å; D861-E865 VanDerWaalsContact O-N 3.12Å; D861-L869 HydrophobicContact CB-CD1 3.7Å
862C89.4Confident85.8Confident0 Ų038.9 Ų38.90%020%0.199CC..Hα-helixtrans-56.2-39.2171.1-67.50000112.4L702 F703 W858 A864 Y866 R867 L869L702-C862 HydrophobicContact CD2-CB 4.44Å; L702-C862 WeakPolarHBondContact CD2-O 3.39Å; F703-C862 HydrophobicContact CE1-CB 3.7Å; F703-C862 HydrophobicContact CZ-CB 3.89Å; W858-C862 WeakPolarHBondContact O-CB 3.41Å; W858-C862 PolarHBondContact O-N 3.46Å; W858-C862 PolarHBondContact O-SG 3.2Å; C862-A864 VanDerWaalsContact C-N 3.35Å; C862-Y866 VanDerWaalsContact O-CA 3.22Å; C862-Y866 WeakPolarHBondContact O-CA 3.2Å; C862-Y866 PolarHBondContact O-N 2.85Å; C862-R867 WeakPolarHBondContact CA-O 3.49Å; C862-R867 WeakPolarHBondContact CB-O 3.45Å; C862-R867 PolarHBondContact O-N 3.25Å; C862-R867 VanDerWaalsContact O-N 3.09Å; C862-L869 PolarHBondContact SG-N 3.46Å
863A90.9Very high84.4Confident0 Ų044.6 Ų44.60%023%0.231CC..Hα-helixtrans-72-23.9175.800000113.8L644 L648 L859 D861L644-A863 HydrophobicContact CB-CB 4.29Å; L644-A863 HydrophobicContact CD2-CB 4.12Å; L648-A863 HydrophobicContact CD1-CB 3.97Å; L648-A863 HydrophobicContact CD2-CB 4.13Å; L648-A863 HydrophobicContact CG-CB 4.08Å; L859-A863 WeakPolarHBondContact O-CB 3.21Å; L859-A863 PolarHBondContact O-N 2.82Å; D861-A863 PolarHBondContact O-N 3.05Å
864A89Confident82.3Confident1 Ų150.4 Ų50.41%0.00827%0.27CS..Hα-helixtrans-79.5-34.2177.600000112.6L644 A682 S685 A687 L860 D861 C862L644-A864 HydrophobicContact CD2-CB 3.91Å; A682-A864 HydrophobicContact CB-CB 4.33Å; S685-A864 PolarHBondContact OG-O 3.27Å; A687-A864 VanDerWaalsContact CB-O 3.28Å; A687-A864 WeakPolarHBondContact CB-O 3.5Å; L860-A864 PolarHBondContact O-N 3.29Å; L860-A864 VanDerWaalsContact O-N 3.13Å; D861-A864 WeakPolarHBondContact O-CB 3.23Å; D861-A864 PolarHBondContact O-N 2.99Å; C862-A864 VanDerWaalsContact C-N 3.35Å
865E86Confident82.1Confident67 Ų6752.9 Ų52.931%0.31328%0.284SS..Hα-helixtrans-88.2-16.8171.9-74.8-169.5-146.800113.9A682 R690 D861 R867A682-E865 HydrophobicContact CB-CG 4.12Å; R690-E865 PolarHBondContact NH2-O 2.99Å; D861-E865 PolarHBondContact O-N 3Å; D861-E865 VanDerWaalsContact O-N 3.12Å; E865-R867 VanDerWaalsContact C-N 3.35Å; E865-R867 HydrophobicContact CB-CB 4.03Å
866Y88.7Confident81.8Confident20 Ų2054.7 Ų54.78%0.07829%0.292CS..THydrogen-bonded Turntrans48.457-162.1-162.4-101000111.7V647 L648 R690 A691 A694 L702 C862V647-Y866 HydrophobicContact CG1-CD2 3.78Å; V647-Y866 HydrophobicContact CG1-CG 4.24Å; L648-Y866 HydrophobicContact CD2-CD2 4.23Å; L648-Y866 HydrophobicContact CD2-CE2 4.22Å; R690-Y866 HydrophobicContact CB-CD1 4.24Å; A691-Y866 VanDerWaalsContact CA-CE1 3.48Å; A691-Y866 HydrophobicContact CB-CD1 3.85Å; A691-Y866 HydrophobicContact CB-CD2 3.45Å; A691-Y866 VanDerWaalsContact CB-CD2 3.45Å; A691-Y866 HydrophobicContact CB-CE1 3.84Å; A691-Y866 HydrophobicContact CB-CE2 3.4Å; A691-Y866 HydrophobicContact CB-CG 3.65Å; A694-Y866 HydrophobicContact CB-CE1 4.04Å; L702-Y866 HydrophobicContact CB-CD2 4.21Å; L702-Y866 HydrophobicContact CB-CE2 3.78Å; L702-Y866 HydrophobicContact CD2-CD2 3.98Å; L702-Y866 HydrophobicContact CD2-CE2 4.4Å; L702-Y866 HydrophobicContact CD2-CG 4.41Å; C862-Y866 VanDerWaalsContact O-CA 3.22Å; C862-Y866 WeakPolarHBondContact O-CA 3.2Å; C862-Y866 PolarHBondContact O-N 2.85Å
867R85Confident81.4Confident154 Ų15457.7 Ų57.758%0.58131%0.308SS*.SBendtrans-151.3141-178.7-176-180-178.4169.24.5108.9C862 E865 L869C862-R867 WeakPolarHBondContact CA-O 3.49Å; C862-R867 WeakPolarHBondContact CB-O 3.45Å; C862-R867 PolarHBondContact O-N 3.25Å; C862-R867 VanDerWaalsContact O-N 3.09Å; E865-R867 VanDerWaalsContact C-N 3.35Å; E865-R867 HydrophobicContact CB-CB 4.03Å; R867-L869 PolarHBondContact O-N 3.23Å
868L84.4Confident81.1Confident89 Ų8957.8 Ų57.847%0.46631%0.306SS..  trans-72.4111.1164.8-65.6178.2000108.5L702 F703 L706 W858L702-L868 HydrophobicContact CD1-CG 4.3Å; L702-L868 HydrophobicContact CG-CD2 4.29Å; F703-L868 HydrophobicContact CD1-CD2 3.72Å; F703-L868 HydrophobicContact CE1-CD2 3.95Å; L706-L868 HydrophobicContact CD1-CD2 4.26Å; W858-L868 HydrophobicContact CH2-CD2 4.29Å
869L81.9Confident80.6Confident38 Ų3860.7 Ų60.720%0.19932%0.323CS..PPolyproline II helixtrans-78.6152.8173.8-62.4175.8000109.7W858 D861 C862 R867W858-L869 PolarHBondContact NE1-O 3.13Å; W858-L869 VanDerWaalsContact NE1-O 3.08Å; D861-L869 HydrophobicContact CB-CD1 3.7Å; C862-L869 PolarHBondContact SG-N 3.46Å; R867-L869 PolarHBondContact O-N 3.23Å
870P80.5Confident80Confident112 Ų11264.7 Ų64.773%0.72734%0.344SS*.PPolyproline II helixtrans-50.1144.1168.6-2434000110.8W858W858-P870 PolarHBondContact NE1-O 3.18Å
871F79Confident79.2Confident78 Ų7868.8 Ų68.834%0.34237%0.366SS..PPolyproline II helixtrans-62.4136.7172.1-60.5-48.9000109.3L798 I854 W858 N873L798-F871 HydrophobicContact CD1-CE1 4.09Å; L798-F871 HydrophobicContact CD1-CZ 4.28Å; L798-F871 HydrophobicContact CD2-CE1 4.47Å; L798-F871 HydrophobicContact CD2-CZ 4.24Å; I854-F871 HydrophobicContact CD1-CD1 3.39Å; I854-F871 HydrophobicContact CD1-CE1 3.6Å; I854-F871 HydrophobicContact CD1-CG 4.13Å; I854-F871 HydrophobicContact CD1-CZ 4.47Å; I854-F871 HydrophobicContact CG1-CD1 4.43Å; W858-F871 AromaticContact CE2-CD1 3.86Å; W858-F871 HydrophobicContact CH2-CD1 4.34Å; W858-F871 AromaticContact CH2-CE1 3.78Å; W858-F871 HydrophobicContact CH2-CE1 3.78Å; W858-F871 AromaticContact CZ2-CD1 3.71Å; W858-F871 HydrophobicContact CZ2-CD1 3.71Å; W858-F871 AromaticContact CZ2-CE1 3.51Å; W858-F871 HydrophobicContact CZ2-CE1 3.51Å; F871-N873 PolarHBondContact O-N 2.92Å
872P68.1Low78.4Confident49 Ų4970.2 Ų70.232%0.31837%0.373SS..PPolyproline II helixtrans-65.1136.917527.8-33000109.3I854 P855 C874I854-P872 HydrophobicContact CG2-CG 4.39Å; P855-P872 HydrophobicContact CG-CG 3.86Å; P872-C874 PolarHBondContact O-N 3.25Å; P872-C874 PolarHBondContact O-SG 3.23Å
873N54.2Low77.5Confident169 Ų16976 Ų7690%0.90440%0.404SS*.PPolyproline II helixtrans-60.6122.6171.6-64.3-1.3000108.5F871F871-N873 PolarHBondContact O-N 2.92Å
874C42.1Very low76.3Confident135 Ų13582.9 Ų82.991%0.91244%0.441SS*.  trans-114.70177.1-690000109.5P872P872-C874 PolarHBondContact O-N 3.25Å; P872-C874 PolarHBondContact O-SG 3.23Å

Retrieved 874 of 874 residues in 1457.5 ms (Link to these results)

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