A0A087YAQ8_POEFO Loading...

Osteoclast-stimulating factor 1

Induces bone resorption, acting probably through a signaling cascade which results in the secretion of factor(s) enhancing osteoclast formation and activity.

AlphaFold DB , UniProt , Accession A0A087YAQ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,101 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
1Q30.5Very low36.7Very low257 Ų257151.5 Ų151.5100%1.20174%0.737SS**  0112.90-68.9168.5-14.500108.3
2G31Very low36.6Very low76 Ų76151.5 Ų151.578%0.78473%0.734SS**  trans-107.3126.6174.700000110.3K4G2-K4 PolarHBondContact O-N 3.32Å
3R32.1Very low36.6Very low252 Ų252152.9 Ų152.995%0.95175%0.748SS**  trans-67.7113.4170-81.8-178.5168.7173.9-4.2108.4A5R3-A5 PolarHBondContact O-N 2.82Å
4K36.7Very low37.2Very low204 Ų204147.5 Ų147.589%0.88773%0.728SS**PPolyproline II helixtrans-57.5118.5159.9-75.8-174.7172.4-174.80107.2G2 K6G2-K4 PolarHBondContact O-N 3.32Å; K4-K6 PolarHBondContact O-N 2.64Å
5A37.8Very low37.7Very low84 Ų84146.7 Ų146.769%0.69472%0.718SS**PPolyproline II helixtrans-63.7131.2167.200000107.9R3R3-A5 PolarHBondContact O-N 2.82Å
6K33.7Very low38.8Very low152 Ų152148.1 Ų148.166%0.66172%0.723SS**PPolyproline II helixtrans-73.3136.4171.9-75.1-173.2165.4-159.40108.9K4K4-K6 PolarHBondContact O-N 2.64Å
7Y40.4Very low40.8Very low141 Ų141139.6 Ų139.655%0.55368%0.682SS**PPolyproline II helixtrans-74150-178.7-58.5-87.9000111.5W9 Q10Y7-W9 VanDerWaalsContact C-N 3.27Å; Y7-W9 PolarHBondContact O-N 2.83Å; Y7-Q10 PolarHBondContact O-N 2.99Å; Y7-Q10 VanDerWaalsContact O-N 3.12Å
8H38.4Very low43.1Very low171 Ų171132.8 Ų132.879%0.79265%0.654SS**THydrogen-bonded Turntrans-54.7-38-173.6-177.1-22.2000113.7Q10H8-Q10 CarbonylContact O-C 3.58Å; H8-Q10 PolarHBondContact O-N 3Å; H8-Q10 VanDerWaalsContact O-N 3.13Å
9W46.8Very low45Very low153 Ų153128.1 Ų128.158%0.5863%0.634SS**THydrogen-bonded Turntrans-68-8.3-177.366.5-83.9000114.3Y7 S11 E680Y7-W9 VanDerWaalsContact C-N 3.27Å; Y7-W9 PolarHBondContact O-N 2.83Å; W9-S11 PolarHBondContact O-N 2.86Å; W9-E680 HydrophobicContact CH2-CG 4.42Å; W9-E680 WeakPolarHBondContact CH2-OE1 3.38Å
10Q40Very low46.9Very low99 Ų99125 Ų12546%0.46362%0.619SS.*SBendtrans-76.874157.1-66.1-167.3-10.900109.5Y7 H8 Q12Y7-Q10 PolarHBondContact O-N 2.99Å; Y7-Q10 VanDerWaalsContact O-N 3.12Å; H8-Q10 CarbonylContact O-C 3.58Å; H8-Q10 PolarHBondContact O-N 3Å; H8-Q10 VanDerWaalsContact O-N 3.13Å; Q10-Q12 PolarHBondContact O-N 3.22Å
11S35.9Very low48.7Very low77 Ų77120.4 Ų120.454%0.53860%0.597SS.*  trans-64.787.2179.446.10000111.7W9 N13 V14W9-S11 PolarHBondContact O-N 2.86Å; S11-N13 PolarHBondContact O-N 2.97Å; S11-N13 VanDerWaalsContact O-N 3.17Å; S11-V14 PolarHBondContact O-N 2.83Å
12Q35.4Very low51.4Low152 Ų152108.2 Ų108.271%0.7154%0.54SS*.THydrogen-bonded Turntrans-58.9121.5174.5-64.9178.732.200108.9Q10Q10-Q12 PolarHBondContact O-N 3.22Å
13N36.9Very low53.7Low170 Ų170105.6 Ų105.691%0.90951%0.509SS*.THydrogen-bonded Turntrans101.76.3-179.5-50.2-24000117.9S11S11-N13 PolarHBondContact O-N 2.97Å; S11-N13 VanDerWaalsContact O-N 3.17Å
14V45.1Very low55.6Low77 Ų7798.5 Ų98.547%0.46749%0.489SS..  trans-88.9130.1164.5-1740000110.5S11 Q16S11-V14 PolarHBondContact O-N 2.83Å; V14-Q16 PolarHBondContact O-N 2.72Å
15K44.3Very low57.4Low135 Ų13589.4 Ų89.459%0.58745%0.45SS*.  trans-72.5104.8173.5-173.6-168.4-178.1-171.20109S17 D43K15-S17 PolarHBondContact O-N 3.21Å; K15-D43 IonicContact NZ-OD1 2.68Å; K15-D43 PolarHBondContact NZ-OD1 2.8Å; K15-D43 IonicContact NZ-OD2 2.72Å
16Q56.3Low58.9Low170 Ų17090.6 Ų90.679%0.79445%0.454SS*.  trans-7385.6-171.8-162.7170.927.100112.5V14V14-Q16 PolarHBondContact O-N 2.72Å
17S72.8Confident60.9Low3 Ų390.4 Ų90.42%0.02145%0.453CS..  trans-89.5108.7177-165.20000111.7K15 K39 R40 D43K15-S17 PolarHBondContact O-N 3.21Å; S17-K39 PolarHBondContact OG-O 2.74Å; S17-R40 VanDerWaalsContact O-CG 3.27Å; S17-R40 WeakPolarHBondContact O-CG 3.37Å; S17-R40 PolarHBondContact O-NH1 3Å; S17-D43 WeakPolarHBondContact CB-OD2 3.2Å; S17-D43 WeakPolarHBondContact OG-CB 3.37Å; S17-D43 PolarHBondContact OG-OD2 3.1Å
18G81.2Confident62.8Low18 Ų1885.6 Ų85.619%0.18644%0.437CS..SBendtrans62.8-140.9179.100000112.5N36G18-N36 VanDerWaalsContact CA-OD1 3.24Å; G18-N36 WeakPolarHBondContact CA-OD1 3.38Å
19V79.4Confident65.2Low43 Ų4380.2 Ų80.226%0.26142%0.416SS..  trans-127.3128.8179.9-171.90000108.8D21 L24 L25 N36 R40 T48V19-D21 VanDerWaalsContact CG1-O 3.23Å; V19-D21 WeakPolarHBondContact CG1-O 3.43Å; V19-L24 HydrophobicContact CG1-CB 3.87Å; V19-L25 HydrophobicContact CB-CD2 4.35Å; V19-L25 HydrophobicContact CG2-CD2 4.06Å; V19-N36 PolarHBondContact N-OD1 3.49Å; V19-N36 PolarHBondContact O-ND2 2.9Å; V19-R40 WeakPolarHBondContact O-CD 3.21Å; V19-T48 WeakPolarHBondContact O-CG2 3.2Å
20D83.2Confident67.3Low65 Ų6574.1 Ų74.135%0.34839%0.394SS..SBendtrans-72.5-33.4-175.8-71.7-64.3000114.3R40 T48 Y49 P84D20-R40 IonicContact OD1-CZ 3.88Å; D20-R40 IonicContact OD1-NH1 3.19Å; D20-R40 PolarHBondContact OD1-NH1 2.88Å; D20-R40 IonicContact OD1-NH2 2.78Å; D20-R40 PolarHBondContact OD1-NH2 2.66Å; D20-T48 WeakPolarHBondContact O-CG2 3.44Å; D20-Y49 PolarHBondContact O-N 3.3Å; D20-P84 HydrophobicContact CB-CG 3.62Å; D20-P84 VanDerWaalsContact O-CG 3.29Å; D20-P84 WeakPolarHBondContact O-CG 3.28Å; D20-P84 WeakPolarHBondContact OD1-CD 3.42Å
21D84.3Confident69.8Low30 Ų3073.6 Ų73.616%0.1639%0.394CS..BIsolated β-bridgetrans-121.4118.4169.7-174.2-12.4000110.1V19 V23 L24 I50 G51V19-D21 VanDerWaalsContact CG1-O 3.23Å; V19-D21 WeakPolarHBondContact CG1-O 3.43Å; D21-V23 PolarHBondContact O-N 2.65Å; D21-V23 WeakPolarHBondContact OD1-CB 3.49Å; D21-V23 WeakPolarHBondContact OD1-CG2 3.44Å; D21-V23 PolarHBondContact OD1-N 3.33Å; D21-L24 WeakPolarHBondContact O-CB 3.34Å; D21-L24 PolarHBondContact O-N 2.77Å; D21-I50 WeakPolarHBondContact OD1-CA 3.32Å; D21-G51 PolarHBondContact OD1-N 2.75Å; D21-G51 WeakPolarHBondContact OD2-CA 3.15Å; D21-G51 PolarHBondContact OD2-N 2.84Å; D21-G51 VanDerWaalsContact OD2-N 3.15Å
22M87Confident72.4Confident0 Ų070.8 Ų70.80%038%0.375CS..G310 helixtrans-72.7-6.9-174.8-65.2-171.7-62.200114.3L24 L25 I33 N36 L37 T48 Y49 I50 I55 I614M22-L24 PolarHBondContact O-N 2.95Å; M22-L25 HydrophobicContact CB-CD1 3.77Å; M22-L25 HydrophobicContact CB-CG 4.06Å; M22-L25 HydrophobicContact CG-CD1 4.03Å; M22-L25 HydrophobicContact CG-CG 4.32Å; M22-L25 WeakPolarHBondContact O-CB 3.44Å; M22-L25 WeakPolarHBondContact O-CG 3.32Å; M22-L25 PolarHBondContact O-N 3.41Å; M22-L25 HydrophobicContact SD-CD1 4.34Å; M22-I33 HydrophobicContact CE-CG2 4.08Å; M22-I33 HydrophobicContact SD-CG2 3.92Å; M22-N36 WeakPolarHBondContact CG-ND2 3.49Å; M22-N36 HydrophobicContact SD-CB 4.45Å; M22-L37 HydrophobicContact CE-CD2 4.16Å; M22-L37 HydrophobicContact CE-CG 4.46Å; M22-L37 HydrophobicContact SD-CD2 4.15Å; M22-L37 HydrophobicContact SD-CG 4.13Å; M22-T48 HydrophobicContact CE-CG2 4.3Å; M22-T48 HydrophobicContact CG-CG2 3.72Å; M22-T48 HydrophobicContact SD-CG2 4.09Å; M22-Y49 PolarHBondContact N-O 3.07Å; M22-I50 HydrophobicContact CB-CG1 4.34Å; M22-I50 HydrophobicContact CE-CD1 3.98Å; M22-I50 HydrophobicContact CE-CG1 3.78Å; M22-I55 HydrophobicContact CE-CG1 3.84Å; M22-I614 HydrophobicContact CB-CD1 3.73Å; M22-I614 HydrophobicContact CB-CG1 4.22Å
23V79.6Confident75.2Confident21 Ų2163.5 Ų63.513%0.12734%0.341CS..G310 helixtrans-57.1-27.8163.4176.20000111.4D21 I50 R617 R618D21-V23 PolarHBondContact O-N 2.65Å; D21-V23 WeakPolarHBondContact OD1-CB 3.49Å; D21-V23 WeakPolarHBondContact OD1-CG2 3.44Å; D21-V23 PolarHBondContact OD1-N 3.33Å; V23-I50 HydrophobicContact CG2-CG2 4.04Å; V23-R617 HydrophobicContact CG2-CB 3.75Å; V23-R618 HydrophobicContact CG1-CB 4.06Å; V23-R618 HydrophobicContact CG1-CG 4.27Å; V23-R618 WeakPolarHBondContact O-CD 3.2Å
24L72.6Confident78Confident103 Ų10355.5 Ų55.554%0.53930%0.299SS..G310 helixtrans-882.4-179.6-52.3176.3000114.3V19 D21 M22V19-L24 HydrophobicContact CG1-CB 3.87Å; D21-L24 WeakPolarHBondContact O-CB 3.34Å; D21-L24 PolarHBondContact O-N 2.77Å; M22-L24 PolarHBondContact O-N 2.95Å
25L74.2Confident80.3Confident13 Ų1358.5 Ų58.57%0.06831%0.307CS..  trans-61.1140177.8-74.3174.6000111.9V19 M22 K27 I33 N36 R618V19-L25 HydrophobicContact CB-CD2 4.35Å; V19-L25 HydrophobicContact CG2-CD2 4.06Å; M22-L25 HydrophobicContact CB-CD1 3.77Å; M22-L25 HydrophobicContact CB-CG 4.06Å; M22-L25 HydrophobicContact CG-CD1 4.03Å; M22-L25 HydrophobicContact CG-CG 4.32Å; M22-L25 WeakPolarHBondContact O-CB 3.44Å; M22-L25 WeakPolarHBondContact O-CG 3.32Å; M22-L25 PolarHBondContact O-N 3.41Å; M22-L25 HydrophobicContact SD-CD1 4.34Å; L25-K27 PolarHBondContact O-N 2.76Å; L25-I33 HydrophobicContact CD1-CG1 3.93Å; L25-N36 HydrophobicContact CD2-CB 4.08Å; L25-R618 VanDerWaalsContact O-CZ 3.27Å; L25-R618 PolarHBondContact O-NH1 2.89Å; L25-R618 PolarHBondContact O-NH2 2.91Å
26S68.8Low82.7Confident110 Ų11052.5 Ų52.577%0.76928%0.282SS*.SBendtrans-66.2-38.218058.80000113
27K76.1Confident84.6Confident148 Ų14844.5 Ų44.564%0.64325%0.245SC*.SBendtrans-119.5146.5176.2-62.2178.7-179.3177.30110.3L25 A32L25-K27 PolarHBondContact O-N 2.76Å; K27-A32 HydrophobicContact CB-CB 4.47Å
28I81.6Confident85.7Confident40 Ų4047.9 Ų47.921%0.20526%0.259CS..  trans-114.667.8179.8-40173.2000110.4R611 I614 R615I28-R611 HydrophobicContact CG2-CG 4.12Å; I28-I614 HydrophobicContact CD1-CG2 4.19Å; I28-I614 HydrophobicContact CG1-CG2 4.22Å; I28-I614 HydrophobicContact CG2-CB 4.08Å; I28-I614 HydrophobicContact CG2-CG2 3.63Å; I28-R615 HydrophobicContact CD1-CG 4.32Å; I28-R615 HydrophobicContact CG2-CG 3.91Å
29T87.8Confident86.3Confident58 Ų5852.3 Ų52.336%0.35627%0.273SS..SBendtrans-115.7158.3171.559.20000109.4D31 A32 I33T29-D31 PolarHBondContact O-N 3.38Å; T29-A32 PolarHBondContact O-N 3.12Å; T29-A32 PolarHBondContact OG1-N 2.9Å; T29-I33 WeakPolarHBondContact O-CG1 3.46Å; T29-I33 PolarHBondContact O-N 3.33Å
30E90.9Very high87Confident25 Ų2550.4 Ų50.412%0.11726%0.261CS..Hα-helixtrans-56.9-42.3174.8-48.981.1-114.900111A32 I33 V34 K602 V605 E606 R611E30-A32 VanDerWaalsContact C-N 3.29Å; E30-A32 PolarHBondContact O-N 3.22Å; E30-I33 WeakPolarHBondContact O-CA 3.33Å; E30-I33 WeakPolarHBondContact O-CB 3.45Å; E30-I33 PolarHBondContact O-N 2.85Å; E30-V34 VanDerWaalsContact O-CG2 3.3Å; E30-V34 WeakPolarHBondContact O-CG2 3.25Å; E30-V34 PolarHBondContact O-N 2.83Å; E30-K602 HydrophobicContact CB-CD 4.23Å; E30-K602 HydrophobicContact CB-CG 4.17Å; E30-K602 WeakPolarHBondContact OE2-CE 3.45Å; E30-K602 IonicContact OE2-NZ 2.74Å; E30-K602 PolarHBondContact OE2-NZ 2.88Å; E30-V605 HydrophobicContact CB-CG1 4.07Å; E30-V605 HydrophobicContact CG-CG1 4.4Å; E30-E606 HydrophobicContact CG-CG 3.82Å; E30-R611 WeakPolarHBondContact OE1-CD 3.46Å; E30-R611 IonicContact OE1-CZ 2.67Å; E30-R611 IonicContact OE1-NE 2.81Å; E30-R611 IonicContact OE1-NH1 2.75Å; E30-R611 PolarHBondContact OE1-NH1 2.88Å
31D93.5Very high87.6Confident87 Ų8747.6 Ų47.647%0.46525%0.246SC..Hα-helixtrans-62.2-37-174-40.3-55000111.8T29 V34 E35 K602T29-D31 PolarHBondContact O-N 3.38Å; D31-V34 PolarHBondContact O-N 3.35Å; D31-E35 VanDerWaalsContact O-CB 3.28Å; D31-E35 WeakPolarHBondContact O-CB 3.25Å; D31-E35 PolarHBondContact O-N 3.04Å; D31-K602 IonicContact OD1-NZ 3.83Å; D31-K602 PolarHBondContact OD1-NZ 3.36Å; D31-K602 IonicContact OD2-NZ 3.92Å
32A88.8Confident88Confident18 Ų1849.5 Ų49.515%0.14925%0.254CS..Hα-helixtrans-70.9-30.3175.700000112.9K27 T29 E30 N36K27-A32 HydrophobicContact CB-CB 4.47Å; T29-A32 PolarHBondContact O-N 3.12Å; T29-A32 PolarHBondContact OG1-N 2.9Å; E30-A32 VanDerWaalsContact C-N 3.29Å; E30-A32 PolarHBondContact O-N 3.22Å; A32-N36 WeakPolarHBondContact O-CB 3.47Å; A32-N36 PolarHBondContact O-N 3.3Å; A32-N36 VanDerWaalsContact O-N 3.17Å
33I94Very high88.3Confident0 Ų051.9 Ų51.90%027%0.267CS..Hα-helixtrans-71.6-46.8173.6-63.3162.5000109.3M22 L25 T29 E30 N36 L37 V605 R611 I614M22-I33 HydrophobicContact CE-CG2 4.08Å; M22-I33 HydrophobicContact SD-CG2 3.92Å; L25-I33 HydrophobicContact CD1-CG1 3.93Å; T29-I33 WeakPolarHBondContact O-CG1 3.46Å; T29-I33 PolarHBondContact O-N 3.33Å; E30-I33 WeakPolarHBondContact O-CA 3.33Å; E30-I33 WeakPolarHBondContact O-CB 3.45Å; E30-I33 PolarHBondContact O-N 2.85Å; I33-N36 PolarHBondContact O-N 2.98Å; I33-L37 HydrophobicContact CG2-CD1 3.91Å; I33-L37 WeakPolarHBondContact O-CB 3.43Å; I33-L37 VanDerWaalsContact O-CG 3.29Å; I33-L37 WeakPolarHBondContact O-CG 3.5Å; I33-L37 PolarHBondContact O-N 3.03Å; I33-V605 HydrophobicContact CB-CG1 4.03Å; I33-V605 HydrophobicContact CD1-CG1 4.06Å; I33-V605 HydrophobicContact CG2-CG1 3.76Å; I33-V605 HydrophobicContact CG2-CG2 3.89Å; I33-R611 HydrophobicContact CD1-CB 3.93Å; I33-R611 HydrophobicContact CD1-CG 4.39Å; I33-I614 HydrophobicContact CD1-CD1 3.61Å; I33-I614 HydrophobicContact CG1-CD1 3.75Å
34V96.4Very high88.9Confident2 Ų253.1 Ų53.11%0.01227%0.273CS..Hα-helixtrans-60.9-45.7176.9174.60000110.8E30 D31 N36 L37 K38 W596 E598 V601 K602 V605E30-V34 VanDerWaalsContact O-CG2 3.3Å; E30-V34 WeakPolarHBondContact O-CG2 3.25Å; E30-V34 PolarHBondContact O-N 2.83Å; D31-V34 PolarHBondContact O-N 3.35Å; V34-N36 PolarHBondContact O-N 2.69Å; V34-L37 PolarHBondContact O-N 3.41Å; V34-K38 WeakPolarHBondContact O-CB 3.31Å; V34-K38 PolarHBondContact O-N 3.38Å; V34-W596 HydrophobicContact CG1-CZ2 4.14Å; V34-E598 HydrophobicContact CG1-CG 3.65Å; V34-V601 HydrophobicContact CG2-CG1 4.47Å; V34-K602 HydrophobicContact CG2-CB 4.01Å; V34-V605 HydrophobicContact CG2-CB 4.33Å; V34-V605 HydrophobicContact CG2-CG2 3.85Å
35E94.3Very high89.8Confident139 Ų13951.6 Ų51.665%0.6526%0.261SS*.Hα-helixtrans-59.5-45.9176-172.5-171.9175.200111.8D31 K38 K39D31-E35 VanDerWaalsContact O-CB 3.28Å; D31-E35 WeakPolarHBondContact O-CB 3.25Å; D31-E35 PolarHBondContact O-N 3.04Å; E35-K38 PolarHBondContact O-N 3.33Å; E35-K39 WeakPolarHBondContact O-CB 3.29Å; E35-K39 PolarHBondContact O-N 3.4Å
36N93.6Very high90.8Very high10 Ų1051.3 Ų51.35%0.05326%0.259CS..Hα-helixtrans-63.3-46.8179-172.855.5000112G18 V19 M22 L25 A32 I33 V34 K39 R40G18-N36 VanDerWaalsContact CA-OD1 3.24Å; G18-N36 WeakPolarHBondContact CA-OD1 3.38Å; V19-N36 PolarHBondContact N-OD1 3.49Å; V19-N36 PolarHBondContact O-ND2 2.9Å; M22-N36 WeakPolarHBondContact CG-ND2 3.49Å; M22-N36 HydrophobicContact SD-CB 4.45Å; L25-N36 HydrophobicContact CD2-CB 4.08Å; A32-N36 WeakPolarHBondContact O-CB 3.47Å; A32-N36 PolarHBondContact O-N 3.3Å; A32-N36 VanDerWaalsContact O-N 3.17Å; I33-N36 PolarHBondContact O-N 2.98Å; V34-N36 PolarHBondContact O-N 2.69Å; N36-K39 PolarHBondContact O-N 3.38Å; N36-R40 WeakPolarHBondContact O-CB 3.38Å; N36-R40 WeakPolarHBondContact O-CG 3.03Å; N36-R40 PolarHBondContact O-N 2.67Å; N36-R40 VanDerWaalsContact O-N 3.07Å
37L96.2Very high92.1Very high1 Ų146.4 Ų46.41%0.00522%0.224CC..Hα-helixtrans-63.9-42177.6-67.3170.5000111.4M22 I33 V34 R40 Y41 I55 V57 I585 W596 V605M22-L37 HydrophobicContact CE-CD2 4.16Å; M22-L37 HydrophobicContact CE-CG 4.46Å; M22-L37 HydrophobicContact SD-CD2 4.15Å; M22-L37 HydrophobicContact SD-CG 4.13Å; I33-L37 HydrophobicContact CG2-CD1 3.91Å; I33-L37 WeakPolarHBondContact O-CB 3.43Å; I33-L37 VanDerWaalsContact O-CG 3.29Å; I33-L37 WeakPolarHBondContact O-CG 3.5Å; I33-L37 PolarHBondContact O-N 3.03Å; V34-L37 PolarHBondContact O-N 3.41Å; L37-R40 PolarHBondContact O-N 3.1Å; L37-Y41 WeakPolarHBondContact O-CB 3.49Å; L37-Y41 PolarHBondContact O-N 3.42Å; L37-I55 HydrophobicContact CD2-CG2 3.9Å; L37-V57 HydrophobicContact CD2-CG2 4.41Å; L37-I585 HydrophobicContact CD1-CD1 3.78Å; L37-W596 HydrophobicContact CB-CH2 3.83Å; L37-W596 HydrophobicContact CB-CZ2 4.49Å; L37-V605 HydrophobicContact CD1-CG2 4.18Å
38K96.1Very high93Very high74 Ų7439.4 Ų39.432%0.32219%0.194SC..Hα-helixtrans-59.3-48.2176.2-173178.3-172.8-179.30111.5V34 E35 Y41 M42 W596 E598V34-K38 WeakPolarHBondContact O-CB 3.31Å; V34-K38 PolarHBondContact O-N 3.38Å; E35-K38 PolarHBondContact O-N 3.33Å; K38-Y41 PolarHBondContact O-N 2.86Å; K38-M42 VanDerWaalsContact O-CG 3.27Å; K38-M42 WeakPolarHBondContact O-CG 3.49Å; K38-M42 PolarHBondContact O-N 3.4Å; K38-W596 HydrophobicContact CB-CD2 4.09Å; K38-W596 HydrophobicContact CB-CH2 4.07Å; K38-W596 HydrophobicContact CB-CZ2 3.55Å; K38-W596 HydrophobicContact CD-CG 4.28Å; K38-W596 HydrophobicContact CG-CD2 3.85Å; K38-W596 HydrophobicContact CG-CG 3.96Å; K38-W596 HydrophobicContact CG-CZ2 4.22Å; K38-E598 WeakPolarHBondContact CE-OE2 3.36Å; K38-E598 IonicContact NZ-OE2 2.7Å; K38-E598 PolarHBondContact NZ-OE2 3.2Å
39K93.9Very high93.4Very high111 Ų11138.1 Ų38.148%0.48319%0.186SC..Hα-helixtrans-60.8-48.2179.5-175.9174.9179.6178.30111.7S17 E35 N36 M42 D43S17-K39 PolarHBondContact OG-O 2.74Å; E35-K39 WeakPolarHBondContact O-CB 3.29Å; E35-K39 PolarHBondContact O-N 3.4Å; N36-K39 PolarHBondContact O-N 3.38Å; K39-M42 PolarHBondContact O-N 3.04Å; K39-D43 PolarHBondContact O-N 2.88Å
40R94.4Very high93.5Very high4 Ų435.4 Ų35.42%0.01517%0.169CC..Hα-helixtrans-63.3-45.3178.5-71.6177.568.181.4-7.5112.1S17 V19 D20 N36 L37 M42 D43 D44 Y45 F47 T48S17-R40 VanDerWaalsContact O-CG 3.27Å; S17-R40 WeakPolarHBondContact O-CG 3.37Å; S17-R40 PolarHBondContact O-NH1 3Å; V19-R40 WeakPolarHBondContact O-CD 3.21Å; D20-R40 IonicContact OD1-CZ 3.88Å; D20-R40 IonicContact OD1-NH1 3.19Å; D20-R40 PolarHBondContact OD1-NH1 2.88Å; D20-R40 IonicContact OD1-NH2 2.78Å; D20-R40 PolarHBondContact OD1-NH2 2.66Å; N36-R40 WeakPolarHBondContact O-CB 3.38Å; N36-R40 WeakPolarHBondContact O-CG 3.03Å; N36-R40 PolarHBondContact O-N 2.67Å; N36-R40 VanDerWaalsContact O-N 3.07Å; L37-R40 PolarHBondContact O-N 3.1Å; R40-M42 PolarHBondContact O-N 3.07Å; R40-D43 CarbonylContact O-C 3.57Å; R40-D43 PolarHBondContact O-N 3.37Å; R40-D44 PolarHBondContact O-N 3.13Å; R40-Y45 CarbonylContact C-O 3.52Å; R40-Y45 VanDerWaalsContact C-O 3.32Å; R40-Y45 WeakPolarHBondContact CB-O 3.27Å; R40-Y45 PolarHBondContact O-N 3.35Å; R40-F47 PolarHBondContact NE-O 2.94Å; R40-F47 PolarHBondContact NH2-O 2.85Å; R40-T48 PolarHBondContact NE-OG1 3.29Å
41Y95.1Very high93Very high6 Ų635 Ų352%0.02417%0.173CC..Hα-helixtrans-58.1-44.3176.5177.5-103.4000112.8L37 K38 D43 D44 V57 N58 P587 K594 W596L37-Y41 WeakPolarHBondContact O-CB 3.49Å; L37-Y41 PolarHBondContact O-N 3.42Å; K38-Y41 PolarHBondContact O-N 2.86Å; Y41-D43 VanDerWaalsContact C-N 3.31Å; Y41-D43 PolarHBondContact O-N 3.49Å; Y41-D44 WeakPolarHBondContact O-CA 3.46Å; Y41-D44 PolarHBondContact O-N 2.95Å; Y41-V57 HydrophobicContact CD2-CB 4.1Å; Y41-V57 HydrophobicContact CD2-CG1 3.49Å; Y41-V57 VanDerWaalsContact CD2-CG1 3.49Å; Y41-V57 HydrophobicContact CE2-CG1 3.86Å; Y41-V57 HydrophobicContact CG-CG1 4.22Å; Y41-N58 WeakPolarHBondContact CE2-O 3.47Å; Y41-P587 HydrophobicContact CE1-CB 4.25Å; Y41-P587 HydrophobicContact CE1-CG 4.42Å; Y41-P587 HydrophobicContact CE2-CB 4.24Å; Y41-P587 HydrophobicContact CE2-CG 3.84Å; Y41-K594 PolarHBondContact OH-N 3.42Å; Y41-K594 VanDerWaalsContact OH-N 3.09Å; Y41-W596 AromaticContact CD1-CE3 3.58Å; Y41-W596 HydrophobicContact CD1-CE3 3.58Å; Y41-W596 HydrophobicContact CD1-CZ3 4Å; Y41-W596 HydrophobicContact CE1-CE3 4.14Å; Y41-W596 AromaticContact CG-CE3 3.99Å; Y41-W596 HydrophobicContact CG-CE3 3.99Å; Y41-W596 AromaticContact CG-CZ3 3.9Å; Y41-W596 HydrophobicContact CG-CZ3 3.9Å
42M93.8Very high92.4Very high69 Ų6934 Ų3434%0.3417%0.17SC..Hα-helixtrans-66.3-32.6178.7-68.9-64.7175.500113K38 K39 R40 D44 K594 W596K38-M42 VanDerWaalsContact O-CG 3.27Å; K38-M42 WeakPolarHBondContact O-CG 3.49Å; K38-M42 PolarHBondContact O-N 3.4Å; K39-M42 PolarHBondContact O-N 3.04Å; R40-M42 PolarHBondContact O-N 3.07Å; M42-D44 PolarHBondContact O-N 2.9Å; M42-K594 PolarHBondContact O-NZ 2.97Å; M42-K594 HydrophobicContact SD-CB 4.27Å; M42-W596 HydrophobicContact CE-CB 3.79Å
43D91.9Very high92.4Very high50 Ų5033.2 Ų33.227%0.26716%0.164SC..THydrogen-bonded Turntrans-81.711.5170.7-82.5-38.4000113.9K15 S17 K39 R40 Y41 Y45K15-D43 IonicContact NZ-OD1 2.68Å; K15-D43 PolarHBondContact NZ-OD1 2.8Å; K15-D43 IonicContact NZ-OD2 2.72Å; S17-D43 WeakPolarHBondContact CB-OD2 3.2Å; S17-D43 WeakPolarHBondContact OG-CB 3.37Å; S17-D43 PolarHBondContact OG-OD2 3.1Å; K39-D43 PolarHBondContact O-N 2.88Å; R40-D43 CarbonylContact O-C 3.57Å; R40-D43 PolarHBondContact O-N 3.37Å; Y41-D43 VanDerWaalsContact C-N 3.31Å; Y41-D43 PolarHBondContact O-N 3.49Å; D43-Y45 VanDerWaalsContact C-N 3.27Å; D43-Y45 HydrophobicContact CB-CD2 3.82Å; D43-Y45 HydrophobicContact CB-CE2 4.17Å; D43-Y45 WeakPolarHBondContact O-CD2 3.36Å; D43-Y45 PolarHBondContact O-N 2.56Å
44D92.3Very high92.4Very high47 Ų4733.2 Ų33.225%0.25116%0.164SC..THydrogen-bonded Turntrans66.515.8179-70.4-48.2000115.9R40 Y41 M42 I46 K61 M63 Y65 K594R40-D44 PolarHBondContact O-N 3.13Å; Y41-D44 WeakPolarHBondContact O-CA 3.46Å; Y41-D44 PolarHBondContact O-N 2.95Å; M42-D44 PolarHBondContact O-N 2.9Å; D44-I46 PolarHBondContact O-N 2.68Å; D44-K61 WeakPolarHBondContact OD1-CE 3.47Å; D44-K61 IonicContact OD1-NZ 2.69Å; D44-K61 PolarHBondContact OD1-NZ 3.1Å; D44-K61 IonicContact OD2-NZ 3.91Å; D44-K61 PolarHBondContact OD2-NZ 3Å; D44-M63 HydrophobicContact CB-CE 3.84Å; D44-M63 VanDerWaalsContact O-CE 3.23Å; D44-M63 WeakPolarHBondContact O-CE 3.15Å; D44-Y65 PolarHBondContact O-OH 2.97Å; D44-K594 VanDerWaalsContact CG-CE 3.48Å; D44-K594 VanDerWaalsContact CG-NZ 3.28Å; D44-K594 WeakPolarHBondContact OD1-CE 3.18Å; D44-K594 IonicContact OD1-NZ 3.32Å; D44-K594 PolarHBondContact OD1-NZ 2.92Å; D44-K594 WeakPolarHBondContact OD2-CE 3.47Å; D44-K594 IonicContact OD2-NZ 3.47Å; D44-K594 PolarHBondContact OD2-NZ 3.11Å
45Y92.4Very high92.4Very high72 Ų7233.1 Ų33.128%0.28216%0.163SC..  trans-9096.3169.7-65.6-81.2000111R40 D43R40-Y45 CarbonylContact C-O 3.52Å; R40-Y45 VanDerWaalsContact C-O 3.32Å; R40-Y45 WeakPolarHBondContact CB-O 3.27Å; R40-Y45 PolarHBondContact O-N 3.35Å; D43-Y45 VanDerWaalsContact C-N 3.27Å; D43-Y45 HydrophobicContact CB-CD2 3.82Å; D43-Y45 HydrophobicContact CB-CE2 4.17Å; D43-Y45 WeakPolarHBondContact O-CD2 3.36Å; D43-Y45 PolarHBondContact O-N 2.56Å
46I95.1Very high92.5Very high6 Ų627 Ų273%0.03114%0.136CC..  trans-80.4-16.4-17672.2-176.6000115.1D44 V57 P59 M63 Y65 F66D44-I46 PolarHBondContact O-N 2.68Å; I46-V57 WeakPolarHBondContact CB-O 3.31Å; I46-V57 PolarHBondContact O-N 2.92Å; I46-P59 HydrophobicContact CD1-CG 4.36Å; I46-P59 HydrophobicContact CG2-CB 3.99Å; I46-P59 HydrophobicContact CG2-CG 4.37Å; I46-M63 HydrophobicContact CD1-CG 4.33Å; I46-M63 HydrophobicContact CG2-CE 4.12Å; I46-Y65 WeakPolarHBondContact CG1-OH 3.5Å; I46-F66 HydrophobicContact CD1-CE2 4.48Å; I46-F66 HydrophobicContact CD1-CZ 4.23Å
47F96.1Very high92.7Very high7 Ų726.6 Ų26.63%0.03113%0.134CC..EExtended strand (participates in β ladder)trans-108.9139.5-172.2-68.9-58.7000111.7R40 L54 I55 Y65 F66 P84 H85 I86R40-F47 PolarHBondContact NE-O 2.94Å; R40-F47 PolarHBondContact NH2-O 2.85Å; F47-L54 HydrophobicContact CB-CD1 4.08Å; F47-L54 HydrophobicContact CD1-CD1 4Å; F47-L54 HydrophobicContact CD1-CD2 4.1Å; F47-L54 HydrophobicContact CD1-CG 4.2Å; F47-L54 HydrophobicContact CE1-CD2 4.31Å; F47-L54 HydrophobicContact CG-CD1 4.36Å; F47-I55 WeakPolarHBondContact CA-O 3.37Å; F47-Y65 HydrophobicContact CE2-CE2 4.44Å; F47-F66 AromaticContact CE2-CE1 4Å; F47-F66 HydrophobicContact CE2-CE1 4Å; F47-F66 AromaticContact CE2-CZ 3.75Å; F47-F66 HydrophobicContact CE2-CZ 3.75Å; F47-F66 HydrophobicContact CZ-CE1 4.24Å; F47-F66 AromaticContact CZ-CZ 3.96Å; F47-F66 HydrophobicContact CZ-CZ 3.96Å; F47-P84 HydrophobicContact CB-CB 4.17Å; F47-P84 VanDerWaalsContact CB-O 3.23Å; F47-P84 WeakPolarHBondContact CB-O 3.28Å; F47-H85 AromaticContact CD2-CD2 3.44Å; F47-H85 VanDerWaalsContact CD2-CD2 3.44Å; F47-H85 WeakPolarHBondContact CD2-CD2 3.49Å; F47-H85 AromaticContact CE2-CD2 3.41Å; F47-H85 VanDerWaalsContact CE2-CD2 3.41Å; F47-H85 WeakPolarHBondContact CE2-CD2 3.31Å; F47-H85 AromaticContact CE2-NE2 3.59Å; F47-I86 HydrophobicContact CE1-CB 3.98Å; F47-I86 HydrophobicContact CE1-CG2 4.48Å; F47-I86 HydrophobicContact CE2-CB 4.39Å; F47-I86 HydrophobicContact CE2-CG2 4.19Å; F47-I86 HydrophobicContact CZ-CB 3.75Å; F47-I86 HydrophobicContact CZ-CG2 3.76Å
48T95Very high92.6Very high1 Ų128 Ų281%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-150.4142.3178.3-46.40000109.6V19 D20 M22 R40 I55V19-T48 WeakPolarHBondContact O-CG2 3.2Å; D20-T48 WeakPolarHBondContact O-CG2 3.44Å; M22-T48 HydrophobicContact CE-CG2 4.3Å; M22-T48 HydrophobicContact CG-CG2 3.72Å; M22-T48 HydrophobicContact SD-CG2 4.09Å; R40-T48 PolarHBondContact NE-OG1 3.29Å; T48-I55 PolarHBondContact N-O 3.11Å; T48-I55 VanDerWaalsContact N-O 3.12Å; T48-I55 WeakPolarHBondContact O-CA 3.39Å; T48-I55 WeakPolarHBondContact O-CB 3.24Å; T48-I55 PolarHBondContact O-N 3.1Å
49Y90.6Very high92.5Very high14 Ų1425.3 Ų25.36%0.05513%0.132CC..EExtended strand (participates in β ladder)trans-89.1158177.6-66.3-52.7000113.4D20 M22 V53 L54 Q79 P84 H85 A88D20-Y49 PolarHBondContact O-N 3.3Å; M22-Y49 PolarHBondContact N-O 3.07Å; Y49-V53 CarbonylContact C-O 3.55Å; Y49-V53 WeakPolarHBondContact CA-O 3.34Å; Y49-L54 HydrophobicContact CD1-CD1 3.97Å; Y49-L54 HydrophobicContact CE1-CD1 3.85Å; Y49-Q79 HydrophobicContact CE1-CG 4.25Å; Y49-Q79 HydrophobicContact CE2-CG 3.79Å; Y49-P84 HydrophobicContact CD1-CB 4.47Å; Y49-P84 HydrophobicContact CD2-CB 3.82Å; Y49-P84 HydrophobicContact CD2-CG 3.73Å; Y49-P84 HydrophobicContact CE1-CB 4.33Å; Y49-P84 HydrophobicContact CE2-CB 3.68Å; Y49-P84 HydrophobicContact CE2-CG 3.84Å; Y49-P84 HydrophobicContact CG-CB 4.2Å; Y49-P84 HydrophobicContact CG-CG 4.4Å; Y49-H85 PolarHBondContact OH-N 3.03Å; Y49-A88 VanDerWaalsContact OH-CB 3.3Å; Y49-A88 WeakPolarHBondContact OH-CB 3.39Å
50I88Confident92.4Very high0 Ų022.3 Ų22.30%012%0.119CC..EExtended strand (participates in β ladder)trans-12880.9151.7-53.9171.6000105.6D21 M22 V23 P52 V53 I55 L610 N613 I614 R617D21-I50 WeakPolarHBondContact OD1-CA 3.32Å; M22-I50 HydrophobicContact CB-CG1 4.34Å; M22-I50 HydrophobicContact CE-CD1 3.98Å; M22-I50 HydrophobicContact CE-CG1 3.78Å; V23-I50 HydrophobicContact CG2-CG2 4.04Å; I50-P52 WeakPolarHBondContact O-CD 3.17Å; I50-P52 VanDerWaalsContact O-N 3.15Å; I50-V53 HydrophobicContact CB-CB 4.32Å; I50-V53 PolarHBondContact N-O 2.93Å; I50-V53 PolarHBondContact O-N 2.9Å; I50-I55 HydrophobicContact CD1-CD1 3.78Å; I50-I55 HydrophobicContact CD1-CG1 4.12Å; I50-I55 HydrophobicContact CG1-CD1 4.27Å; I50-I55 HydrophobicContact CG1-CG1 4.17Å; I50-L610 HydrophobicContact CD1-CB 4Å; I50-L610 HydrophobicContact CD1-CD2 4.06Å; I50-L610 HydrophobicContact CD1-CG 4.46Å; I50-N613 HydrophobicContact CG2-CB 4.45Å; I50-N613 VanDerWaalsContact CG2-OD1 3.26Å; I50-N613 WeakPolarHBondContact CG2-OD1 3.35Å; I50-I614 HydrophobicContact CB-CG1 4.4Å; I50-I614 HydrophobicContact CD1-CD1 4.16Å; I50-I614 HydrophobicContact CD1-CG1 3.95Å; I50-I614 HydrophobicContact CG1-CD1 4.36Å; I50-I614 HydrophobicContact CG1-CG1 3.99Å; I50-I614 HydrophobicContact CG2-CB 4.39Å; I50-I614 HydrophobicContact CG2-CG1 3.55Å; I50-R617 HydrophobicContact CG2-CG 4.4Å
51G81.1Confident92.2Very high18 Ų1826 Ų2619%0.18614%0.135CC..THydrogen-bonded Turntrans53.7-114.6-167.200000112.5D21 V53 Q79D21-G51 PolarHBondContact OD1-N 2.75Å; D21-G51 WeakPolarHBondContact OD2-CA 3.15Å; D21-G51 PolarHBondContact OD2-N 2.84Å; D21-G51 VanDerWaalsContact OD2-N 3.15Å; G51-V53 VanDerWaalsContact C-N 3.32Å; G51-V53 PolarHBondContact O-N 3.22Å; G51-Q79 PolarHBondContact O-NE2 3.09Å
52P80.1Confident91.8Very high64 Ų6433.3 Ų33.342%0.41617%0.169SC..THydrogen-bonded Turntrans-78.4-8.6178.933.7-36.4000114.6I50I50-P52 WeakPolarHBondContact O-CD 3.17Å; I50-P52 VanDerWaalsContact O-N 3.15Å
53V89.4Confident91.7Very high2 Ų230.7 Ų30.71%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-89.6134.5178.5-176.80000109.6Y49 I50 G51 I55 F414 R583Y49-V53 CarbonylContact C-O 3.55Å; Y49-V53 WeakPolarHBondContact CA-O 3.34Å; I50-V53 HydrophobicContact CB-CB 4.32Å; I50-V53 PolarHBondContact N-O 2.93Å; I50-V53 PolarHBondContact O-N 2.9Å; G51-V53 VanDerWaalsContact C-N 3.32Å; G51-V53 PolarHBondContact O-N 3.22Å; V53-I55 HydrophobicContact CG1-CD1 4.37Å; V53-F414 HydrophobicContact CG2-CE2 4.36Å; V53-R583 HydrophobicContact CG1-CG 3.89Å
54L94.9Very high91.4Very high0 Ų033.5 Ų33.50%018%0.177CC..EExtended strand (participates in β ladder)trans-103.2126.1176.317964.5000111.1F47 Y49 I86 L89 Y581 I582 R583F47-L54 HydrophobicContact CB-CD1 4.08Å; F47-L54 HydrophobicContact CD1-CD1 4Å; F47-L54 HydrophobicContact CD1-CD2 4.1Å; F47-L54 HydrophobicContact CD1-CG 4.2Å; F47-L54 HydrophobicContact CE1-CD2 4.31Å; F47-L54 HydrophobicContact CG-CD1 4.36Å; Y49-L54 HydrophobicContact CD1-CD1 3.97Å; Y49-L54 HydrophobicContact CE1-CD1 3.85Å; L54-I86 HydrophobicContact CD2-CB 3.99Å; L54-I86 HydrophobicContact CD2-CG1 4.17Å; L54-L89 HydrophobicContact CB-CD1 3.88Å; L54-L89 HydrophobicContact CD2-CD1 4.31Å; L54-Y581 PolarHBondContact N-O 3.01Å; L54-I582 HydrophobicContact CB-CG1 4.32Å; L54-I582 HydrophobicContact CD2-CD1 4.21Å; L54-I582 HydrophobicContact CD2-CG1 4.42Å; L54-I582 CarbonylContact O-C 3.37Å; L54-I582 VanDerWaalsContact O-CA 3.31Å; L54-I582 WeakPolarHBondContact O-CA 3.38Å; L54-R583 PolarHBondContact O-N 2.82Å
55I96.4Very high91.1Very high0 Ų033.8 Ų33.80%018%0.175CC..EExtended strand (participates in β ladder)trans-93137.1169.8-47.5-54000108.9M22 L37 F47 T48 I50 V53 R583 I585 L610M22-I55 HydrophobicContact CE-CG1 3.84Å; L37-I55 HydrophobicContact CD2-CG2 3.9Å; F47-I55 WeakPolarHBondContact CA-O 3.37Å; T48-I55 PolarHBondContact N-O 3.11Å; T48-I55 VanDerWaalsContact N-O 3.12Å; T48-I55 WeakPolarHBondContact O-CA 3.39Å; T48-I55 WeakPolarHBondContact O-CB 3.24Å; T48-I55 PolarHBondContact O-N 3.1Å; I50-I55 HydrophobicContact CD1-CD1 3.78Å; I50-I55 HydrophobicContact CD1-CG1 4.12Å; I50-I55 HydrophobicContact CG1-CD1 4.27Å; I50-I55 HydrophobicContact CG1-CG1 4.17Å; V53-I55 HydrophobicContact CG1-CD1 4.37Å; I55-R583 WeakPolarHBondContact CA-O 3.49Å; I55-R583 HydrophobicContact CD1-CB 3.76Å; I55-R583 HydrophobicContact CD1-CG 4.16Å; I55-I585 HydrophobicContact CG2-CD1 3.63Å; I55-I585 HydrophobicContact CG2-CG1 4.3Å; I55-L610 HydrophobicContact CD1-CD1 4.01Å; I55-L610 HydrophobicContact CD1-CD2 3.78Å
56S96.6Very high90.9Very high11 Ų1132 Ų328%0.07717%0.169CC..EExtended strand (participates in β ladder)trans-134.7106.5-177.5176.80000110.7R583 C584 I585S56-R583 PolarHBondContact N-O 2.92Å; S56-C584 CarbonylContact O-C 3.43Å; S56-C584 VanDerWaalsContact O-CA 3.27Å; S56-C584 WeakPolarHBondContact O-CA 3.12Å; S56-I585 PolarHBondContact O-N 2.73Å
57V96.9Very high90.6Very high2 Ų234.8 Ų34.81%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-86.5131176.6-172.50000110L37 Y41 I46 P59 I585 P587 W596L37-V57 HydrophobicContact CD2-CG2 4.41Å; Y41-V57 HydrophobicContact CD2-CB 4.1Å; Y41-V57 HydrophobicContact CD2-CG1 3.49Å; Y41-V57 VanDerWaalsContact CD2-CG1 3.49Å; Y41-V57 HydrophobicContact CE2-CG1 3.86Å; Y41-V57 HydrophobicContact CG-CG1 4.22Å; I46-V57 WeakPolarHBondContact CB-O 3.31Å; I46-V57 PolarHBondContact O-N 2.92Å; V57-P59 VanDerWaalsContact O-CD 3.25Å; V57-P59 WeakPolarHBondContact O-CD 3.33Å; V57-I585 CarbonylContact C-O 3.52Å; V57-I585 WeakPolarHBondContact CA-O 3.44Å; V57-I585 HydrophobicContact CG2-CB 4.4Å; V57-P587 HydrophobicContact CG1-CB 3.87Å; V57-P587 HydrophobicContact CG1-CG 3.93Å; V57-W596 HydrophobicContact CG1-CZ3 4.18Å
58N95.1Very high90.1Very high29 Ų2938.5 Ų38.516%0.15521%0.206CC..  trans-66.5118179.8-174.5-9.5000111.5Y41 F60 G113 I585 P587Y41-N58 WeakPolarHBondContact CE2-O 3.47Å; N58-F60 VanDerWaalsContact C-N 3.31Å; N58-F60 WeakPolarHBondContact ND2-CE1 3.4Å; N58-F60 PolarHBondContact O-N 2.83Å; N58-F60 PolarHBondContact OD1-N 2.64Å; N58-G113 PolarHBondContact ND2-O 2.86Å; N58-I585 PolarHBondContact N-O 2.95Å; N58-P587 WeakPolarHBondContact O-CD 3.39Å; N58-P587 VanDerWaalsContact O-CG 3.25Å; N58-P587 WeakPolarHBondContact O-CG 3.19Å
59P93.9Very high89.9Confident19 Ų1947.3 Ų47.312%0.12324%0.239CC..  trans-68.1-22.8179.125-33.2000114.9I46 V57 K61 M63 P593I46-P59 HydrophobicContact CD1-CG 4.36Å; I46-P59 HydrophobicContact CG2-CB 3.99Å; I46-P59 HydrophobicContact CG2-CG 4.37Å; V57-P59 VanDerWaalsContact O-CD 3.25Å; V57-P59 WeakPolarHBondContact O-CD 3.33Å; P59-K61 HydrophobicContact CB-CG 3.98Å; P59-K61 VanDerWaalsContact CG-O 3.3Å; P59-K61 WeakPolarHBondContact CG-O 3.43Å; P59-K61 PolarHBondContact O-N 3.07Å; P59-M63 HydrophobicContact CB-CG 4.07Å; P59-M63 HydrophobicContact CB-SD 3.5Å; P59-M63 VanDerWaalsContact CB-SD 3.5Å; P59-M63 HydrophobicContact CG-CG 3.93Å; P59-M63 HydrophobicContact CG-SD 4.04Å; P59-P593 WeakPolarHBondContact O-CA 3.31Å; P59-P593 WeakPolarHBondContact O-CB 3.35Å
60F90.9Very high89.8Confident47 Ų4747.7 Ų47.721%0.20624%0.242CC..SBendtrans52.525.2-165.5-65.3-64.2000114.5N58 K586 P587 N588 K591 R592N58-F60 VanDerWaalsContact C-N 3.31Å; N58-F60 WeakPolarHBondContact ND2-CE1 3.4Å; N58-F60 PolarHBondContact O-N 2.83Å; N58-F60 PolarHBondContact OD1-N 2.64Å; F60-K586 HydrophobicContact CE2-CG 4.43Å; F60-K586 HydrophobicContact CZ-CG 3.95Å; F60-P587 HydrophobicContact CD2-CG 4.11Å; F60-P587 HydrophobicContact CE2-CG 3.9Å; F60-N588 WeakPolarHBondContact CE2-OD1 3.38Å; F60-K591 HydrophobicContact CD1-CB 4.2Å; F60-K591 HydrophobicContact CE1-CB 4.03Å; F60-K591 HydrophobicContact CE1-CG 4.22Å; F60-K591 HydrophobicContact CZ-CB 4.46Å; F60-R592 WeakPolarHBondContact CD2-O 3.36Å
61K90.7Very high90Very high81 Ų8148.4 Ų48.435%0.35225%0.246SC..SBendtrans-153.4164.4171.658.6168.3175.7169.30110D44 P59 M63 P593D44-K61 WeakPolarHBondContact OD1-CE 3.47Å; D44-K61 IonicContact OD1-NZ 2.69Å; D44-K61 PolarHBondContact OD1-NZ 3.1Å; D44-K61 IonicContact OD2-NZ 3.91Å; D44-K61 PolarHBondContact OD2-NZ 3Å; P59-K61 HydrophobicContact CB-CG 3.98Å; P59-K61 VanDerWaalsContact CG-O 3.3Å; P59-K61 WeakPolarHBondContact CG-O 3.43Å; P59-K61 PolarHBondContact O-N 3.07Å; K61-M63 HydrophobicContact CD-SD 4.18Å; K61-M63 HydrophobicContact CG-SD 3.89Å; K61-P593 HydrophobicContact CB-CB 4.17Å; K61-P593 HydrophobicContact CD-CB 4.16Å; K61-P593 HydrophobicContact CG-CB 4.04Å
62Q87.3Confident90.4Very high161 Ų16154.5 Ų54.575%0.75227%0.269SS*.  trans-69.6144.1166.9-64.3-64.4000110.6
63M90.1Very high90.8Very high14 Ų1455.4 Ų55.47%0.06927%0.27CS..  trans-110.4140.6179.2-54.5-56.9-74.100110.3D44 I46 P59 K61 Y65 F66D44-M63 HydrophobicContact CB-CE 3.84Å; D44-M63 VanDerWaalsContact O-CE 3.23Å; D44-M63 WeakPolarHBondContact O-CE 3.15Å; I46-M63 HydrophobicContact CD1-CG 4.33Å; I46-M63 HydrophobicContact CG2-CE 4.12Å; P59-M63 HydrophobicContact CB-CG 4.07Å; P59-M63 HydrophobicContact CB-SD 3.5Å; P59-M63 VanDerWaalsContact CB-SD 3.5Å; P59-M63 HydrophobicContact CG-CG 3.93Å; P59-M63 HydrophobicContact CG-SD 4.04Å; K61-M63 HydrophobicContact CD-SD 4.18Å; K61-M63 HydrophobicContact CG-SD 3.89Å; M63-Y65 HydrophobicContact CB-CD1 4.37Å; M63-Y65 HydrophobicContact CB-CE1 4Å; M63-Y65 HydrophobicContact CB-CE2 4.13Å; M63-Y65 HydrophobicContact CE-CE1 3.77Å; M63-Y65 WeakPolarHBondContact CE-OH 3.31Å; M63-Y65 PolarHBondContact O-N 3.24Å; M63-F66 HydrophobicContact CB-CD2 3.98Å; M63-F66 HydrophobicContact CB-CE2 3.8Å; M63-F66 HydrophobicContact CG-CE2 4.17Å
64P86.1Confident90.8Very high109 Ų10956 Ų5671%0.70827%0.272SS*.THydrogen-bonded Turntrans-78.50.9-17032.9-37.9000115
65Y85.6Confident90.7Very high52 Ų5261.1 Ų61.120%0.20430%0.296CS..THydrogen-bonded Turntrans-113.927-171.653.6-109.8000113.7D44 I46 F47 M63 E70 H85D44-Y65 PolarHBondContact O-OH 2.97Å; I46-Y65 WeakPolarHBondContact CG1-OH 3.5Å; F47-Y65 HydrophobicContact CE2-CE2 4.44Å; M63-Y65 HydrophobicContact CB-CD1 4.37Å; M63-Y65 HydrophobicContact CB-CE1 4Å; M63-Y65 HydrophobicContact CB-CE2 4.13Å; M63-Y65 HydrophobicContact CE-CE1 3.77Å; M63-Y65 WeakPolarHBondContact CE-OH 3.31Å; M63-Y65 PolarHBondContact O-N 3.24Å; Y65-E70 WeakPolarHBondContact CA-OE2 3.1Å; Y65-E70 VanDerWaalsContact O-CG 3.25Å; Y65-E70 WeakPolarHBondContact O-CG 3.45Å; Y65-H85 AromaticContact CD2-NE2 3.67Å; Y65-H85 AromaticContact CE2-NE2 3.88Å
66F87.9Confident89.9Confident36 Ų3663.3 Ų63.316%0.15832%0.319CS..  trans-10754.5169.3-66.9-66.4000110.1I46 F47 M63 H85 I86 Y87 Y122I46-F66 HydrophobicContact CD1-CE2 4.48Å; I46-F66 HydrophobicContact CD1-CZ 4.23Å; F47-F66 AromaticContact CE2-CE1 4Å; F47-F66 HydrophobicContact CE2-CE1 4Å; F47-F66 AromaticContact CE2-CZ 3.75Å; F47-F66 HydrophobicContact CE2-CZ 3.75Å; F47-F66 HydrophobicContact CZ-CE1 4.24Å; F47-F66 AromaticContact CZ-CZ 3.96Å; F47-F66 HydrophobicContact CZ-CZ 3.96Å; M63-F66 HydrophobicContact CB-CD2 3.98Å; M63-F66 HydrophobicContact CB-CE2 3.8Å; M63-F66 HydrophobicContact CG-CE2 4.17Å; F66-H85 AromaticContact CD1-CE1 3.92Å; F66-H85 AromaticContact CD1-NE2 3.86Å; F66-H85 AromaticContact CE1-CE1 3.74Å; F66-H85 AromaticContact CE1-NE2 3.38Å; F66-H85 WeakPolarHBondContact CE1-NE2 3.39Å; F66-I86 HydrophobicContact CE1-CG2 4.05Å; F66-Y87 HydrophobicContact CD1-CE1 4.47Å; F66-Y122 HydrophobicContact CB-CE1 4.02Å; F66-Y122 AromaticContact CD1-CD1 3.96Å; F66-Y122 HydrophobicContact CD1-CD1 3.96Å; F66-Y122 HydrophobicContact CD1-CD2 4.15Å; F66-Y122 AromaticContact CD1-CE1 3.83Å; F66-Y122 HydrophobicContact CD1-CE1 3.83Å; F66-Y122 HydrophobicContact CD1-CE2 4.01Å; F66-Y122 HydrophobicContact CD1-CG 4.14Å; F66-Y122 AromaticContact CD1-CZ 3.86Å; F66-Y122 HydrophobicContact CD2-CE1 4.01Å; F66-Y122 AromaticContact CD2-CE2 3.99Å; F66-Y122 HydrophobicContact CD2-CE2 3.99Å; F66-Y122 AromaticContact CD2-CZ 3.5Å; F66-Y122 VanDerWaalsContact CD2-CZ 3.5Å; F66-Y122 VanDerWaalsContact CD2-OH 3.27Å; F66-Y122 WeakPolarHBondContact CD2-OH 3.31Å; F66-Y122 HydrophobicContact CE1-CD1 4.3Å; F66-Y122 AromaticContact CE1-CD2 3.66Å; F66-Y122 HydrophobicContact CE1-CD2 3.66Å; F66-Y122 HydrophobicContact CE1-CE1 4.26Å; F66-Y122 AromaticContact CE1-CE2 3.58Å; F66-Y122 HydrophobicContact CE1-CE2 3.58Å; F66-Y122 HydrophobicContact CE1-CG 4.04Å; F66-Y122 AromaticContact CE1-CZ 3.92Å; F66-Y122 HydrophobicContact CE2-CD2 4.45Å; F66-Y122 HydrophobicContact CE2-CE1 4.41Å; F66-Y122 AromaticContact CE2-CE2 3.55Å; F66-Y122 HydrophobicContact CE2-CE2 3.55Å; F66-Y122 AromaticContact CE2-CZ 3.55Å; F66-Y122 WeakPolarHBondContact CE2-OH 3.41Å; F66-Y122 HydrophobicContact CG-CD1 4.27Å; F66-Y122 AromaticContact CG-CE1 3.69Å; F66-Y122 HydrophobicContact CG-CE1 3.69Å; F66-Y122 HydrophobicContact CG-CE2 4.2Å; F66-Y122 AromaticContact CG-CZ 3.66Å; F66-Y122 AromaticContact CZ-CD2 3.82Å; F66-Y122 HydrophobicContact CZ-CD2 3.82Å; F66-Y122 AromaticContact CZ-CE2 3.32Å; F66-Y122 HydrophobicContact CZ-CE2 3.32Å; F66-Y122 AromaticContact CZ-CZ 3.76Å
67T88.9Confident88.9Confident64 Ų6463.4 Ų63.439%0.39332%0.32SS..SBendtrans-115.6168.7-178.279.70000111.8R69 E70 I71T67-R69 PolarHBondContact O-N 2.88Å; T67-R69 VanDerWaalsContact O-N 3.13Å; T67-R69 WeakPolarHBondContact OG1-CB 3.33Å; T67-R69 PolarHBondContact OG1-N 3.11Å; T67-E70 WeakPolarHBondContact CB-OE2 3.49Å; T67-E70 PolarHBondContact N-OE2 3.45Å; T67-E70 PolarHBondContact O-N 3.01Å; T67-E70 PolarHBondContact OG1-OE2 3Å; T67-I71 PolarHBondContact O-N 3.1Å
68D87.3Confident87.5Confident84 Ų8464.4 Ų64.445%0.44933%0.329SS..Hα-helixtrans-53.8-30.5173.8-81.8-6.9000113E70 I71 E72 K129D68-E70 VanDerWaalsContact C-N 3.33Å; D68-E70 PolarHBondContact O-N 3.05Å; D68-I71 WeakPolarHBondContact O-CB 2.84Å; D68-I71 PolarHBondContact O-N 2.95Å; D68-I71 VanDerWaalsContact O-N 3.14Å; D68-E72 PolarHBondContact O-N 3.14Å; D68-K129 IonicContact OD1-NZ 2.71Å; D68-K129 PolarHBondContact OD1-NZ 2.74Å; D68-K129 IonicContact OD2-NZ 2.65Å; D68-K129 PolarHBondContact OD2-NZ 3.27Å
69R89.4Confident86.2Confident186 Ų18665.8 Ų65.870%0.70233%0.334SS*.Hα-helixtrans-61.1-40.7175.2-175.9-167.3177.5-160.1-0.6112.2T67 L73T67-R69 PolarHBondContact O-N 2.88Å; T67-R69 VanDerWaalsContact O-N 3.13Å; T67-R69 WeakPolarHBondContact OG1-CB 3.33Å; T67-R69 PolarHBondContact OG1-N 3.11Å; R69-L73 WeakPolarHBondContact O-CB 3.28Å; R69-L73 PolarHBondContact O-N 2.86Å
70E90.1Very high85Confident22 Ų2269.7 Ų69.710%0.10335%0.347CS..Hα-helixtrans-75.4-29176.6-7177-139.100111.1Y65 T67 D68 L73 Y74 Y87Y65-E70 WeakPolarHBondContact CA-OE2 3.1Å; Y65-E70 VanDerWaalsContact O-CG 3.25Å; Y65-E70 WeakPolarHBondContact O-CG 3.45Å; T67-E70 WeakPolarHBondContact CB-OE2 3.49Å; T67-E70 PolarHBondContact N-OE2 3.45Å; T67-E70 PolarHBondContact O-N 3.01Å; T67-E70 PolarHBondContact OG1-OE2 3Å; D68-E70 VanDerWaalsContact C-N 3.33Å; D68-E70 PolarHBondContact O-N 3.05Å; E70-L73 PolarHBondContact O-N 3.1Å; E70-Y74 WeakPolarHBondContact O-CD2 3.42Å; E70-Y74 PolarHBondContact O-N 2.96Å; E70-Y74 VanDerWaalsContact O-N 3.11Å; E70-Y87 HydrophobicContact CB-CD2 4.14Å; E70-Y87 HydrophobicContact CB-CE2 4.05Å
71I90.3Very high84Confident16 Ų1672.7 Ų72.78%0.08236%0.362CS..Hα-helixtrans-61.1-50.5170.2-58.5-179.1000109.9T67 D68 L73 Y74 Q75 Y87 Y126 K129 V130T67-I71 PolarHBondContact O-N 3.1Å; D68-I71 WeakPolarHBondContact O-CB 2.84Å; D68-I71 PolarHBondContact O-N 2.95Å; D68-I71 VanDerWaalsContact O-N 3.14Å; I71-L73 VanDerWaalsContact C-N 3.31Å; I71-L73 PolarHBondContact O-N 2.92Å; I71-Y74 PolarHBondContact O-N 3.06Å; I71-Q75 WeakPolarHBondContact O-CB 3.37Å; I71-Q75 PolarHBondContact O-N 3.09Å; I71-Y87 HydrophobicContact CG1-CD2 4.17Å; I71-Y87 HydrophobicContact CG1-CE2 3.71Å; I71-Y126 HydrophobicContact CB-CD2 4.39Å; I71-Y126 HydrophobicContact CB-CE2 4.3Å; I71-Y126 HydrophobicContact CG1-CD2 4.12Å; I71-Y126 HydrophobicContact CG2-CD2 3.97Å; I71-Y126 HydrophobicContact CG2-CE2 3.76Å; I71-K129 HydrophobicContact CD1-CB 4Å; I71-K129 HydrophobicContact CD1-CG 3.88Å; I71-K129 HydrophobicContact CG2-CB 4.36Å; I71-K129 HydrophobicContact CG2-CG 4.1Å; I71-V130 HydrophobicContact CG2-CG1 3.72Å
72E89.8Confident83.6Confident145 Ų14570.4 Ų70.468%0.67835%0.354SS*.Hα-helixtrans-58.7-38.5174.9-70.5178.9176.500112.9D68D68-E72 PolarHBondContact O-N 3.14Å
73L88.4Confident83.5Confident83 Ų8365.2 Ų65.244%0.43533%0.334SS..Hα-helixtrans-66.4-38.1-179.4-176.766.1000113.1R69 E70 I71 N82R69-L73 WeakPolarHBondContact O-CB 3.28Å; R69-L73 PolarHBondContact O-N 2.86Å; E70-L73 PolarHBondContact O-N 3.1Å; I71-L73 VanDerWaalsContact C-N 3.31Å; I71-L73 PolarHBondContact O-N 2.92Å; L73-N82 WeakPolarHBondContact CD1-OD1 3.19Å; L73-N82 WeakPolarHBondContact CG-OD1 3.44Å; L73-N82 PolarHBondContact O-ND2 3.4Å
74Y91.1Very high83.6Confident14 Ų1465 Ų656%0.05533%0.334CS..Hα-helixtrans-91.1-14.2-179.3-72-75.4000113.7E70 I71 G76 A77 N82 P83 H85 Y87 A88E70-Y74 WeakPolarHBondContact O-CD2 3.42Å; E70-Y74 PolarHBondContact O-N 2.96Å; E70-Y74 VanDerWaalsContact O-N 3.11Å; I71-Y74 PolarHBondContact O-N 3.06Å; Y74-G76 PolarHBondContact O-N 2.82Å; Y74-G76 VanDerWaalsContact O-N 3.11Å; Y74-A77 PolarHBondContact O-N 2.98Å; Y74-N82 HydrophobicContact CD1-CB 3.89Å; Y74-N82 HydrophobicContact CE1-CB 3.24Å; Y74-P83 WeakPolarHBondContact CE1-O 3.28Å; Y74-P83 PolarHBondContact OH-O 3.44Å; Y74-P83 VanDerWaalsContact OH-O 3.05Å; Y74-H85 HydrophobicContact CD1-CB 4.44Å; Y74-H85 HydrophobicContact CD2-CB 4.28Å; Y74-H85 AromaticContact CD2-ND1 3.78Å; Y74-H85 HydrophobicContact CE1-CB 3.71Å; Y74-H85 HydrophobicContact CE2-CB 3.6Å; Y74-H85 AromaticContact CE2-CG 3.66Å; Y74-H85 AromaticContact CE2-ND1 3.56Å; Y74-H85 AromaticContact CZ-CG 3.9Å; Y74-H85 WeakPolarHBondContact OH-CB 3.33Å; Y74-Y87 HydrophobicContact CD2-CD2 4.21Å; Y74-A88 HydrophobicContact CD1-CB 3.67Å; Y74-A88 HydrophobicContact CE1-CB 4.01Å
75Q91.1Very high84Confident108 Ų10860.1 Ų60.151%0.50530%0.301SS..THydrogen-bonded Turntrans-64.7110.5-175.7-169.61761600112.9I71 A77 Y126 V130I71-Q75 WeakPolarHBondContact O-CB 3.37Å; I71-Q75 PolarHBondContact O-N 3.09Å; Q75-A77 PolarHBondContact O-N 3.15Å; Q75-Y126 VanDerWaalsContact CA-OH 3.26Å; Q75-Y126 WeakPolarHBondContact CA-OH 3.34Å; Q75-Y126 PolarHBondContact N-OH 3.13Å; Q75-V130 HydrophobicContact CG-CG1 4.21Å
76G80.6Confident84.4Confident46 Ų4657.6 Ų57.647%0.47429%0.292SS..THydrogen-bonded Turntrans76.5-4.5-178.900000115.4Y74 D91Y74-G76 PolarHBondContact O-N 2.82Å; Y74-G76 VanDerWaalsContact O-N 3.11Å; G76-D91 WeakPolarHBondContact CA-OD2 3.38Å; G76-D91 PolarHBondContact N-OD1 3Å; G76-D91 VanDerWaalsContact N-OD1 3.12Å; G76-D91 PolarHBondContact N-OD2 3.36Å
77A75.8Confident84.8Confident14 Ų1456.5 Ų56.512%0.11629%0.286CS..  trans-67.9152.8-178.600000112.4Y74 Q75 E81 N82 R95Y74-A77 PolarHBondContact O-N 2.98Å; Q75-A77 PolarHBondContact O-N 3.15Å; A77-E81 WeakPolarHBondContact CA-OE2 3.3Å; A77-N82 WeakPolarHBondContact CB-ND2 3.15Å; A77-R95 PolarHBondContact O-NH2 3.34Å
78A68.1Low84.9Confident23 Ų2353.7 Ų53.719%0.1927%0.27CS..  trans-75.7148.4168.700000111.3Y80 E81A78-Y80 HydrophobicContact CB-CD1 3.88Å; A78-Y80 HydrophobicContact CB-CD2 4.38Å; A78-Y80 HydrophobicContact CB-CE1 3.44Å; A78-Y80 VanDerWaalsContact CB-CE1 3.44Å; A78-Y80 HydrophobicContact CB-CE2 3.98Å; A78-Y80 HydrophobicContact CB-CG 4.34Å; A78-Y80 VanDerWaalsContact CB-CZ 3.49Å; A78-Y80 PolarHBondContact O-N 3.21Å; A78-E81 VanDerWaalsContact CB-CD 3.47Å; A78-E81 HydrophobicContact CB-CG 3.99Å; A78-E81 WeakPolarHBondContact CB-OE1 3.35Å; A78-E81 VanDerWaalsContact N-CD 3.28Å; A78-E81 PolarHBondContact N-OE2 3.12Å; A78-E81 PolarHBondContact O-N 2.89Å
79Q66.2Low85.3Confident58 Ų5850.2 Ų50.227%0.27125%0.251SS..THydrogen-bonded Turntrans-58.1-17.3-176.3-170.3-177.8-17.400114.2Y49 G51Y49-Q79 HydrophobicContact CE1-CG 4.25Å; Y49-Q79 HydrophobicContact CE2-CG 3.79Å; G51-Q79 PolarHBondContact O-NE2 3.09Å
80Y68.6Low85.5Confident100 Ų10041.4 Ų41.439%0.39222%0.218SC..THydrogen-bonded Turntrans-103.6-6.4-179.457.7-99.9000114.6A78 F683A78-Y80 HydrophobicContact CB-CD1 3.88Å; A78-Y80 HydrophobicContact CB-CD2 4.38Å; A78-Y80 HydrophobicContact CB-CE1 3.44Å; A78-Y80 VanDerWaalsContact CB-CE1 3.44Å; A78-Y80 HydrophobicContact CB-CE2 3.98Å; A78-Y80 HydrophobicContact CB-CG 4.34Å; A78-Y80 VanDerWaalsContact CB-CZ 3.49Å; A78-Y80 PolarHBondContact O-N 3.21Å; Y80-F683 AromaticContact CD1-CD1 3.82Å; Y80-F683 HydrophobicContact CD1-CD1 3.82Å; Y80-F683 AromaticContact CD1-CE1 3.26Å; Y80-F683 HydrophobicContact CD1-CE1 3.26Å; Y80-F683 AromaticContact CD1-CZ 4Å; Y80-F683 HydrophobicContact CD1-CZ 4Å; Y80-F683 AromaticContact CD2-CD1 3.93Å; Y80-F683 HydrophobicContact CD2-CD1 3.93Å; Y80-F683 AromaticContact CD2-CE1 3.88Å; Y80-F683 HydrophobicContact CD2-CE1 3.88Å; Y80-F683 HydrophobicContact CD2-CG 4.41Å; Y80-F683 HydrophobicContact CD2-CZ 4.26Å; Y80-F683 AromaticContact CE1-CD1 3.82Å; Y80-F683 HydrophobicContact CE1-CD1 3.82Å; Y80-F683 AromaticContact CE1-CE1 3.71Å; Y80-F683 HydrophobicContact CE1-CE1 3.71Å; Y80-F683 AromaticContact CE2-CD1 3.96Å; Y80-F683 HydrophobicContact CE2-CD1 3.96Å; Y80-F683 HydrophobicContact CE2-CE1 4.29Å; Y80-F683 HydrophobicContact CE2-CG 4.48Å; Y80-F683 AromaticContact CG-CD1 3.86Å; Y80-F683 HydrophobicContact CG-CD1 3.86Å; Y80-F683 AromaticContact CG-CE1 3.34Å; Y80-F683 HydrophobicContact CG-CE1 3.34Å; Y80-F683 HydrophobicContact CG-CE2 4.46Å; Y80-F683 AromaticContact CG-CZ 3.68Å; Y80-F683 HydrophobicContact CG-CZ 3.68Å; Y80-F683 AromaticContact CZ-CD1 3.89Å
81E70.8Confident85.6Confident111 Ų11140.5 Ų40.552%0.51921%0.214SC..THydrogen-bonded Turntrans-77.9-29.3178.7-74.1159.9-165.400111.8A77 A78A77-E81 WeakPolarHBondContact CA-OE2 3.3Å; A78-E81 VanDerWaalsContact CB-CD 3.47Å; A78-E81 HydrophobicContact CB-CG 3.99Å; A78-E81 WeakPolarHBondContact CB-OE1 3.35Å; A78-E81 VanDerWaalsContact N-CD 3.28Å; A78-E81 PolarHBondContact N-OE2 3.12Å; A78-E81 PolarHBondContact O-N 2.89Å
82N81.9Confident85.6Confident32 Ų3241.5 Ų41.517%0.17122%0.219CC..SBendtrans-122.3161.8-178.1-71.1-52.3000111.2L73 Y74 A77L73-N82 WeakPolarHBondContact CD1-OD1 3.19Å; L73-N82 WeakPolarHBondContact CG-OD1 3.44Å; L73-N82 PolarHBondContact O-ND2 3.4Å; Y74-N82 HydrophobicContact CD1-CB 3.89Å; Y74-N82 HydrophobicContact CE1-CB 3.24Å; A77-N82 WeakPolarHBondContact CB-ND2 3.15Å
83P85.9Confident85.7Confident53 Ų5334.6 Ų34.634%0.34419%0.187SC..  trans-59166.8173.6-23.735000113.8Y74 H85Y74-P83 WeakPolarHBondContact CE1-O 3.28Å; Y74-P83 PolarHBondContact OH-O 3.44Å; Y74-P83 VanDerWaalsContact OH-O 3.05Å; P83-H85 PolarHBondContact O-N 2.86Å
84P91.4Very high85.9Confident10 Ų1032.3 Ų32.37%0.06517%0.173CC..SBendtrans-60.2125.6176.2-23.234.1000112.3D20 F47 Y49D20-P84 HydrophobicContact CB-CG 3.62Å; D20-P84 VanDerWaalsContact O-CG 3.29Å; D20-P84 WeakPolarHBondContact O-CG 3.28Å; D20-P84 WeakPolarHBondContact OD1-CD 3.42Å; F47-P84 HydrophobicContact CB-CB 4.17Å; F47-P84 VanDerWaalsContact CB-O 3.23Å; F47-P84 WeakPolarHBondContact CB-O 3.28Å; Y49-P84 HydrophobicContact CD1-CB 4.47Å; Y49-P84 HydrophobicContact CD2-CB 3.82Å; Y49-P84 HydrophobicContact CD2-CG 3.73Å; Y49-P84 HydrophobicContact CE1-CB 4.33Å; Y49-P84 HydrophobicContact CE2-CB 3.68Å; Y49-P84 HydrophobicContact CE2-CG 3.84Å; Y49-P84 HydrophobicContact CG-CB 4.2Å; Y49-P84 HydrophobicContact CG-CG 4.4Å
85H94.1Very high85.8Confident5 Ų534.8 Ų34.82%0.02318%0.182CC..  trans-153.8153.4179.4-159-117.1000112.3F47 Y49 Y65 F66 Y74 P83 Y87 A88F47-H85 AromaticContact CD2-CD2 3.44Å; F47-H85 VanDerWaalsContact CD2-CD2 3.44Å; F47-H85 WeakPolarHBondContact CD2-CD2 3.49Å; F47-H85 AromaticContact CE2-CD2 3.41Å; F47-H85 VanDerWaalsContact CE2-CD2 3.41Å; F47-H85 WeakPolarHBondContact CE2-CD2 3.31Å; F47-H85 AromaticContact CE2-NE2 3.59Å; Y49-H85 PolarHBondContact OH-N 3.03Å; Y65-H85 AromaticContact CD2-NE2 3.67Å; Y65-H85 AromaticContact CE2-NE2 3.88Å; F66-H85 AromaticContact CD1-CE1 3.92Å; F66-H85 AromaticContact CD1-NE2 3.86Å; F66-H85 AromaticContact CE1-CE1 3.74Å; F66-H85 AromaticContact CE1-NE2 3.38Å; F66-H85 WeakPolarHBondContact CE1-NE2 3.39Å; Y74-H85 HydrophobicContact CD1-CB 4.44Å; Y74-H85 HydrophobicContact CD2-CB 4.28Å; Y74-H85 AromaticContact CD2-ND1 3.78Å; Y74-H85 HydrophobicContact CE1-CB 3.71Å; Y74-H85 HydrophobicContact CE2-CB 3.6Å; Y74-H85 AromaticContact CE2-CG 3.66Å; Y74-H85 AromaticContact CE2-ND1 3.56Å; Y74-H85 AromaticContact CZ-CG 3.9Å; Y74-H85 WeakPolarHBondContact OH-CB 3.33Å; P83-H85 PolarHBondContact O-N 2.86Å; H85-Y87 VanDerWaalsContact C-N 3.28Å; H85-Y87 AromaticContact CE1-CD2 3.42Å; H85-Y87 VanDerWaalsContact CE1-CD2 3.42Å; H85-Y87 WeakPolarHBondContact CE1-CD2 3.48Å; H85-Y87 AromaticContact CE1-CE2 3.71Å; H85-Y87 AromaticContact CE1-CG 3.64Å; H85-Y87 WeakPolarHBondContact ND1-CB 3.4Å; H85-Y87 AromaticContact ND1-CD2 3.47Å; H85-Y87 WeakPolarHBondContact ND1-CD2 3.5Å; H85-Y87 AromaticContact ND1-CG 3.42Å; H85-Y87 PolarHBondContact ND1-N 3.11Å; H85-Y87 PolarHBondContact O-N 3.32Å; H85-A88 WeakPolarHBondContact O-CB 3.28Å; H85-A88 PolarHBondContact O-N 3.27Å
86I95.4Very high85.6Confident0 Ų031.8 Ų31.80%017%0.17CC..Hα-helixtrans-66.3-29.5178.2-165.5162.9000113.2F47 L54 F66 L89 A90 A119 Y122 I123 I582F47-I86 HydrophobicContact CE1-CB 3.98Å; F47-I86 HydrophobicContact CE1-CG2 4.48Å; F47-I86 HydrophobicContact CE2-CB 4.39Å; F47-I86 HydrophobicContact CE2-CG2 4.19Å; F47-I86 HydrophobicContact CZ-CB 3.75Å; F47-I86 HydrophobicContact CZ-CG2 3.76Å; L54-I86 HydrophobicContact CD2-CB 3.99Å; L54-I86 HydrophobicContact CD2-CG1 4.17Å; F66-I86 HydrophobicContact CE1-CG2 4.05Å; I86-L89 PolarHBondContact O-N 3.21Å; I86-A90 PolarHBondContact O-N 3.13Å; I86-A119 HydrophobicContact CD1-CB 3.59Å; I86-A119 WeakPolarHBondContact CD1-O 3.07Å; I86-Y122 HydrophobicContact CG2-CD2 4.49Å; I86-I123 HydrophobicContact CD1-CD1 4.1Å; I86-I123 HydrophobicContact CD1-CG1 3.83Å; I86-I123 HydrophobicContact CG1-CD1 4.15Å; I86-I123 HydrophobicContact CG1-CG1 3.73Å; I86-I582 HydrophobicContact CD1-CD1 3.78Å; I86-I582 HydrophobicContact CG1-CD1 3.99Å
87Y95.1Very high86.1Confident12 Ų1229.6 Ų29.65%0.04715%0.147CC..Hα-helixtrans-66.7-34.6175.3-63.5-16.2000112.5F66 E70 I71 Y74 H85 L89 A90 D91 Y126F66-Y87 HydrophobicContact CD1-CE1 4.47Å; E70-Y87 HydrophobicContact CB-CD2 4.14Å; E70-Y87 HydrophobicContact CB-CE2 4.05Å; I71-Y87 HydrophobicContact CG1-CD2 4.17Å; I71-Y87 HydrophobicContact CG1-CE2 3.71Å; Y74-Y87 HydrophobicContact CD2-CD2 4.21Å; H85-Y87 VanDerWaalsContact C-N 3.28Å; H85-Y87 AromaticContact CE1-CD2 3.42Å; H85-Y87 VanDerWaalsContact CE1-CD2 3.42Å; H85-Y87 WeakPolarHBondContact CE1-CD2 3.48Å; H85-Y87 AromaticContact CE1-CE2 3.71Å; H85-Y87 AromaticContact CE1-CG 3.64Å; H85-Y87 WeakPolarHBondContact ND1-CB 3.4Å; H85-Y87 AromaticContact ND1-CD2 3.47Å; H85-Y87 WeakPolarHBondContact ND1-CD2 3.5Å; H85-Y87 AromaticContact ND1-CG 3.42Å; H85-Y87 PolarHBondContact ND1-N 3.11Å; H85-Y87 PolarHBondContact O-N 3.32Å; Y87-L89 VanDerWaalsContact C-N 3.27Å; Y87-L89 PolarHBondContact O-N 3.23Å; Y87-A90 PolarHBondContact O-N 3.17Å; Y87-D91 VanDerWaalsContact O-CB 3.23Å; Y87-D91 WeakPolarHBondContact O-CB 3.49Å; Y87-D91 PolarHBondContact O-N 3.34Å; Y87-Y126 AromaticContact CD1-CD2 3.54Å; Y87-Y126 HydrophobicContact CD1-CD2 3.54Å; Y87-Y126 HydrophobicContact CD1-CE2 4.48Å; Y87-Y126 AromaticContact CD1-CG 3.91Å; Y87-Y126 HydrophobicContact CD1-CG 3.91Å; Y87-Y126 AromaticContact CD2-CD2 3.93Å; Y87-Y126 HydrophobicContact CD2-CD2 3.93Å; Y87-Y126 HydrophobicContact CD2-CE2 4.32Å; Y87-Y126 HydrophobicContact CE1-CD2 4.18Å; Y87-Y126 AromaticContact CG-CD2 3.41Å; Y87-Y126 HydrophobicContact CG-CD2 3.41Å; Y87-Y126 VanDerWaalsContact CG-CD2 3.41Å; Y87-Y126 AromaticContact CG-CE2 3.94Å; Y87-Y126 HydrophobicContact CG-CE2 3.94Å; Y87-Y126 HydrophobicContact CG-CG 4.19Å
88A92.3Very high86.6Confident6 Ų632.5 Ų32.55%0.0516%0.159CC..Hα-helixtrans-61.9-36.3174.200000112.3Y49 Y74 H85 N92Y49-A88 VanDerWaalsContact OH-CB 3.3Å; Y49-A88 WeakPolarHBondContact OH-CB 3.39Å; Y74-A88 HydrophobicContact CD1-CB 3.67Å; Y74-A88 HydrophobicContact CE1-CB 4.01Å; H85-A88 WeakPolarHBondContact O-CB 3.28Å; H85-A88 PolarHBondContact O-N 3.27Å; A88-N92 WeakPolarHBondContact O-CB 3.48Å; A88-N92 PolarHBondContact O-N 3.38Å
89L93.8Very high87.3Confident11 Ų1137 Ų376%0.05818%0.179CC..Hα-helixtrans-70-47.4175.1-176.7152.6000110.8L54 I86 Y87 D91 N92 M93 V106 I123 H580 I582L54-L89 HydrophobicContact CB-CD1 3.88Å; L54-L89 HydrophobicContact CD2-CD1 4.31Å; I86-L89 PolarHBondContact O-N 3.21Å; Y87-L89 VanDerWaalsContact C-N 3.27Å; Y87-L89 PolarHBondContact O-N 3.23Å; L89-D91 VanDerWaalsContact C-N 3.32Å; L89-D91 PolarHBondContact O-N 2.79Å; L89-N92 PolarHBondContact O-N 2.85Å; L89-M93 HydrophobicContact CD2-CG 4.27Å; L89-M93 HydrophobicContact CD2-SD 3.6Å; L89-M93 VanDerWaalsContact O-CG 3.32Å; L89-M93 WeakPolarHBondContact O-CG 3.46Å; L89-M93 PolarHBondContact O-N 3.05Å; L89-V106 HydrophobicContact CD2-CG2 4.02Å; L89-I123 HydrophobicContact CD2-CD1 4.35Å; L89-H580 HydrophobicContact CD2-CB 4.32Å; L89-I582 HydrophobicContact CD1-CD1 4.32Å; L89-I582 HydrophobicContact CD1-CG1 3.95Å; L89-I582 HydrophobicContact CD2-CD1 4.42Å
90A94.3Very high87.9Confident0 Ų036.7 Ų36.70%018%0.179CC..Hα-helixtrans-61.9-37.6177.700000112.9I86 Y87 Y94 I123 Y126 I127I86-A90 PolarHBondContact O-N 3.13Å; Y87-A90 PolarHBondContact O-N 3.17Å; A90-Y94 WeakPolarHBondContact O-CB 3.48Å; A90-Y94 PolarHBondContact O-N 2.83Å; A90-I123 HydrophobicContact CB-CG1 4.47Å; A90-I123 HydrophobicContact CB-CG2 4.17Å; A90-Y126 HydrophobicContact CB-CD1 3.52Å; A90-Y126 HydrophobicContact CB-CE1 4.21Å; A90-Y126 HydrophobicContact CB-CG 4.03Å; A90-I127 HydrophobicContact CB-CG1 4.48Å
91D92.9Very high88.6Confident3 Ų333.8 Ų33.82%0.01618%0.179CC..Hα-helixtrans-68.3-41.5175.5-165.874.1000112.6G76 Y87 L89 Y94 R95 Y126G76-D91 WeakPolarHBondContact CA-OD2 3.38Å; G76-D91 PolarHBondContact N-OD1 3Å; G76-D91 VanDerWaalsContact N-OD1 3.12Å; G76-D91 PolarHBondContact N-OD2 3.36Å; Y87-D91 VanDerWaalsContact O-CB 3.23Å; Y87-D91 WeakPolarHBondContact O-CB 3.49Å; Y87-D91 PolarHBondContact O-N 3.34Å; L89-D91 VanDerWaalsContact C-N 3.32Å; L89-D91 PolarHBondContact O-N 2.79Å; D91-Y94 PolarHBondContact O-N 2.8Å; D91-R95 WeakPolarHBondContact O-CB 3.48Å; D91-R95 PolarHBondContact O-N 2.9Å; D91-R95 IonicContact OD2-CZ 2.73Å; D91-R95 IonicContact OD2-NE 3.16Å; D91-R95 PolarHBondContact OD2-NE 2.89Å; D91-R95 IonicContact OD2-NH2 2.78Å; D91-R95 PolarHBondContact OD2-NH2 3.16Å; D91-Y126 HydrophobicContact CB-CE1 3.74Å; D91-Y126 WeakPolarHBondContact CB-OH 3.41Å; D91-Y126 VanDerWaalsContact CG-OH 3.27Å; D91-Y126 PolarHBondContact OD1-OH 3.14Å
92N89.8Confident89.4Confident37 Ų3732.5 Ų32.520%0.19817%0.174CC..Hα-helixtrans-62.1-45.6174.8-171.2-27.5000110.9A88 L89 N96A88-N92 WeakPolarHBondContact O-CB 3.48Å; A88-N92 PolarHBondContact O-N 3.38Å; L89-N92 PolarHBondContact O-N 2.85Å; N92-N96 WeakPolarHBondContact O-CB 3.25Å; N92-N96 PolarHBondContact O-N 3Å; N92-N96 PolarHBondContact O-ND2 3.34Å; N92-N96 PolarHBondContact O-OD1 2.77Å; N92-N96 PolarHBondContact OD1-ND2 2.98Å
93M92.4Very high89.8Confident0 Ų033.5 Ų33.50%018%0.179CC..Hα-helixtrans-56.2-55.8171.7-67.6176.883.800111.8L89 R95 N96 M97 Q104 C105 V106 I382 H580L89-M93 HydrophobicContact CD2-CG 4.27Å; L89-M93 HydrophobicContact CD2-SD 3.6Å; L89-M93 VanDerWaalsContact O-CG 3.32Å; L89-M93 WeakPolarHBondContact O-CG 3.46Å; L89-M93 PolarHBondContact O-N 3.05Å; M93-R95 VanDerWaalsContact C-N 3.33Å; M93-R95 PolarHBondContact O-N 3.03Å; M93-N96 PolarHBondContact O-N 2.62Å; M93-M97 PolarHBondContact O-N 3.25Å; M93-Q104 HydrophobicContact CB-CB 4.34Å; M93-Q104 HydrophobicContact CB-CG 4.41Å; M93-Q104 HydrophobicContact CE-CB 3.88Å; M93-Q104 WeakPolarHBondContact O-CG 3.47Å; M93-C105 VanDerWaalsContact CE-C 3.46Å; M93-V106 HydrophobicContact CE-CB 3.7Å; M93-V106 HydrophobicContact CE-CG1 4.01Å; M93-V106 HydrophobicContact SD-CB 3.87Å; M93-V106 HydrophobicContact SD-CG1 4.21Å; M93-I382 HydrophobicContact CE-CG2 3.64Å; M93-H580 HydrophobicContact CG-CB 4.37Å; M93-H580 HydrophobicContact SD-CB 4.32Å
94Y92.1Very high90.2Very high35 Ų3531 Ų3114%0.13716%0.162CC..Hα-helixtrans-60.4-41.1-176.8-179.4-110.4000112.3A90 D91 M97 M98 V130 F176 G180 I382A90-Y94 WeakPolarHBondContact O-CB 3.48Å; A90-Y94 PolarHBondContact O-N 2.83Å; D91-Y94 PolarHBondContact O-N 2.8Å; Y94-M97 HydrophobicContact CD2-CE 3.8Å; Y94-M97 HydrophobicContact CE2-CE 3.91Å; Y94-M98 HydrophobicContact CE2-CG 4.38Å; Y94-M98 WeakPolarHBondContact O-CG 3.39Å; Y94-M98 PolarHBondContact O-N 2.86Å; Y94-V130 HydrophobicContact CD1-CG2 4.09Å; Y94-V130 HydrophobicContact CE1-CG2 4.29Å; Y94-F176 HydrophobicContact CD2-CE1 4.29Å; Y94-F176 HydrophobicContact CE2-CD1 4.36Å; Y94-F176 HydrophobicContact CE2-CE1 4.02Å; Y94-G180 PolarHBondContact OH-O 2.82Å; Y94-G180 VanDerWaalsContact OH-O 3.09Å; Y94-I382 HydrophobicContact CD2-CD1 4.27Å
95R88.4Confident90.3Very high66 Ų6630.5 Ų30.525%0.24916%0.159CC..Hα-helixtrans-68.4-40.7174.7-80.9-172.3-73.2120.2-5.7113.5A77 D91 M93 M97 M98 I99A77-R95 PolarHBondContact O-NH2 3.34Å; D91-R95 WeakPolarHBondContact O-CB 3.48Å; D91-R95 PolarHBondContact O-N 2.9Å; D91-R95 IonicContact OD2-CZ 2.73Å; D91-R95 IonicContact OD2-NE 3.16Å; D91-R95 PolarHBondContact OD2-NE 2.89Å; D91-R95 IonicContact OD2-NH2 2.78Å; D91-R95 PolarHBondContact OD2-NH2 3.16Å; M93-R95 VanDerWaalsContact C-N 3.33Å; M93-R95 PolarHBondContact O-N 3.03Å; R95-M97 VanDerWaalsContact C-N 3.34Å; R95-M97 PolarHBondContact O-N 2.86Å; R95-M98 PolarHBondContact O-N 2.95Å; R95-I99 HydrophobicContact CB-CD1 4.09Å; R95-I99 VanDerWaalsContact O-CB 3.24Å; R95-I99 WeakPolarHBondContact O-CB 3.22Å; R95-I99 WeakPolarHBondContact O-CG1 3.5Å; R95-I99 PolarHBondContact O-N 3.38Å
96N86.7Confident90.2Very high45 Ų4530.2 Ų30.224%0.24116%0.158CC..Hα-helixtrans-64.9-41.3179.6-67.7-14.6000111.4N92 M93 M98 I99 D100N92-N96 WeakPolarHBondContact O-CB 3.25Å; N92-N96 PolarHBondContact O-N 3Å; N92-N96 PolarHBondContact O-ND2 3.34Å; N92-N96 PolarHBondContact O-OD1 2.77Å; N92-N96 PolarHBondContact OD1-ND2 2.98Å; M93-N96 PolarHBondContact O-N 2.62Å; N96-M98 VanDerWaalsContact C-N 3.33Å; N96-M98 PolarHBondContact O-N 3.23Å; N96-I99 PolarHBondContact O-N 2.64Å; N96-D100 PolarHBondContact O-N 2.76Å
97M91.8Very high90Very high1 Ų130.6 Ų30.61%0.00516%0.16CC..Hα-helixtrans-54.1-49.4171.2-176.1-171.370.800111.3M93 Y94 R95 G101 E102 Q104 F176 F380 I382M93-M97 PolarHBondContact O-N 3.25Å; Y94-M97 HydrophobicContact CD2-CE 3.8Å; Y94-M97 HydrophobicContact CE2-CE 3.91Å; R95-M97 VanDerWaalsContact C-N 3.34Å; R95-M97 PolarHBondContact O-N 2.86Å; M97-G101 VanDerWaalsContact O-CA 3.32Å; M97-G101 WeakPolarHBondContact O-CA 3.5Å; M97-G101 PolarHBondContact O-N 3.41Å; M97-E102 WeakPolarHBondContact CA-O 3.46Å; M97-Q104 HydrophobicContact CB-CG 4.02Å; M97-F176 HydrophobicContact CE-CB 4.03Å; M97-F176 HydrophobicContact CE-CD1 3.89Å; M97-F176 HydrophobicContact CE-CD2 3.69Å; M97-F176 HydrophobicContact CE-CE1 4.24Å; M97-F176 HydrophobicContact CE-CE2 4.08Å; M97-F176 HydrophobicContact CE-CG 3.59Å; M97-F176 HydrophobicContact CE-CZ 4.33Å; M97-F176 HydrophobicContact SD-CB 4.3Å; M97-F176 HydrophobicContact SD-CD2 3.44Å; M97-F176 WeakPolarHBondContact SD-CD2 3.38Å; M97-F176 HydrophobicContact SD-CE2 3.88Å; M97-F176 HydrophobicContact SD-CG 3.92Å; M97-F380 HydrophobicContact CG-CB 3.84Å; M97-F380 HydrophobicContact CG-CG 4.28Å; M97-F380 HydrophobicContact SD-CB 3.81Å; M97-I382 HydrophobicContact CE-CD1 4.29Å; M97-I382 HydrophobicContact SD-CD1 4.03Å; M97-I382 HydrophobicContact SD-CG1 3.73Å
98M86.6Confident89.8Confident74 Ų7430 Ų3037%0.36516%0.158SC..Hα-helixtrans-74.6-22.3-178-69.2-59-66.800115.1Y94 R95 N96 G180Y94-M98 HydrophobicContact CE2-CG 4.38Å; Y94-M98 WeakPolarHBondContact O-CG 3.39Å; Y94-M98 PolarHBondContact O-N 2.86Å; R95-M98 PolarHBondContact O-N 2.95Å; N96-M98 VanDerWaalsContact C-N 3.33Å; N96-M98 PolarHBondContact O-N 3.23Å; M98-G180 WeakPolarHBondContact SD-CA 3.28Å
99I82.8Confident89.5Confident118 Ų11830.1 Ų30.161%0.60516%0.158SC*.Hα-helixtrans-102-50.7-173.1-68169.1000112.7R95 N96R95-I99 HydrophobicContact CB-CD1 4.09Å; R95-I99 VanDerWaalsContact O-CB 3.24Å; R95-I99 WeakPolarHBondContact O-CB 3.22Å; R95-I99 WeakPolarHBondContact O-CG1 3.5Å; R95-I99 PolarHBondContact O-N 3.38Å; N96-I99 PolarHBondContact O-N 2.64Å
100D78.8Confident89.2Confident51 Ų5129.9 Ų29.927%0.27316%0.158SC..Hα-helixtrans-95.1-13.2-177.7-86.5-56.2000111.3N96 R625 K629N96-D100 PolarHBondContact O-N 2.76Å; D100-R625 IonicContact OD1-NH2 3.46Å; D100-R625 PolarHBondContact OD1-NH2 2.83Å; D100-R625 IonicContact OD2-CZ 3.45Å; D100-R625 IonicContact OD2-NH1 3.5Å; D100-R625 IonicContact OD2-NH2 3.89Å; D100-R625 PolarHBondContact OD2-NH2 2.69Å; D100-K629 IonicContact OD1-NZ 3.58Å; D100-K629 PolarHBondContact OD1-NZ 2.8Å
101G84.3Confident88.6Confident39 Ų3930.3 Ų30.340%0.40216%0.16SC..  trans82.631.817000000114.7M97 F380M97-G101 VanDerWaalsContact O-CA 3.32Å; M97-G101 WeakPolarHBondContact O-CA 3.5Å; M97-G101 PolarHBondContact O-N 3.41Å; G101-F380 WeakPolarHBondContact O-CE1 3.46Å
102E85.9Confident87.9Confident85 Ų8530.5 Ų30.540%0.39716%0.162SC..  trans-119.2140.1-171.2-64.4174.5-176.200111.8M97 Q104 T578M97-E102 WeakPolarHBondContact CA-O 3.46Å; E102-Q104 PolarHBondContact O-NE2 3.15Å; E102-T578 PolarHBondContact OE2-OG1 2.68Å
103N91.7Very high87.5Confident52 Ų5229.5 Ų29.528%0.27816%0.16SC..  trans-61.4141.6169-67.5-19.8000110.4F380 S381 C577 T578N103-F380 VanDerWaalsContact OD1-CA 3.28Å; N103-F380 WeakPolarHBondContact OD1-CA 3.19Å; N103-S381 WeakPolarHBondContact CA-O 3.31Å; N103-S381 PolarHBondContact OD1-N 3.42Å; N103-C577 HydrophobicContact CB-CB 4.27Å; N103-C577 CarbonylContact O-C 3.59Å; N103-C577 WeakPolarHBondContact O-CA 3.42Å; N103-T578 PolarHBondContact O-N 3.02Å
104Q93.8Very high87.2Confident0 Ų029.5 Ų29.50%016%0.16CC..EExtended strand (participates in β ladder)trans-116.7150.1179.9-49.7-67.2-61.100109.6M93 M97 E102 S381 I382 G383 T578 H580M93-Q104 HydrophobicContact CB-CB 4.34Å; M93-Q104 HydrophobicContact CB-CG 4.41Å; M93-Q104 HydrophobicContact CE-CB 3.88Å; M93-Q104 WeakPolarHBondContact O-CG 3.47Å; M97-Q104 HydrophobicContact CB-CG 4.02Å; E102-Q104 PolarHBondContact O-NE2 3.15Å; Q104-S381 PolarHBondContact N-O 2.98Å; Q104-I382 HydrophobicContact CB-CG1 4.37Å; Q104-I382 CarbonylContact O-C 3.58Å; Q104-I382 WeakPolarHBondContact O-CA 3.49Å; Q104-G383 PolarHBondContact O-N 2.82Å; Q104-T578 WeakPolarHBondContact CA-O 3.29Å; Q104-H580 PolarHBondContact OE1-NE2 3.41Å
105C93Very high87Confident0 Ų028.9 Ų28.90%016%0.164CC..EExtended strand (participates in β ladder)trans-136.8147.9167.169.90000111.2M93 G383 L574 C577 T578 P579 H580M93-C105 VanDerWaalsContact CE-C 3.46Å; C105-G383 CarbonylContact C-O 3.47Å; C105-G383 VanDerWaalsContact CA-O 3.28Å; C105-G383 WeakPolarHBondContact CA-O 3.48Å; C105-L574 HydrophobicContact CB-CD2 4.22Å; C105-C577 HydrophobicContact CB-CB 3.8Å; C105-T578 PolarHBondContact N-O 3Å; C105-P579 CarbonylContact O-C 3.55Å; C105-P579 WeakPolarHBondContact O-CA 3.36Å; C105-H580 PolarHBondContact O-N 2.89Å
106V93.1Very high87Confident0 Ų026.3 Ų26.30%016%0.155CC..EExtended strand (participates in β ladder)trans-116.3127170.861.60000110.4L89 M93 I108 I123 G383 V384 L385 H580 I582L89-V106 HydrophobicContact CD2-CG2 4.02Å; M93-V106 HydrophobicContact CE-CB 3.7Å; M93-V106 HydrophobicContact CE-CG1 4.01Å; M93-V106 HydrophobicContact SD-CB 3.87Å; M93-V106 HydrophobicContact SD-CG1 4.21Å; V106-I108 HydrophobicContact CG2-CG1 4.16Å; V106-I123 HydrophobicContact CG1-CD1 3.86Å; V106-I123 HydrophobicContact CG2-CD1 4.16Å; V106-G383 PolarHBondContact N-O 3.41Å; V106-V384 HydrophobicContact CG1-CB 4.13Å; V106-V384 HydrophobicContact CG1-CG1 3.99Å; V106-V384 HydrophobicContact CG1-CG2 3.93Å; V106-L385 PolarHBondContact O-N 3.38Å; V106-H580 WeakPolarHBondContact CA-O 3.31Å; V106-H580 HydrophobicContact CB-CB 4.29Å; V106-H580 HydrophobicContact CG2-CB 4.31Å; V106-I582 HydrophobicContact CG2-CD1 4.09Å; V106-I582 HydrophobicContact CG2-CG1 3.9Å
107I90.3Very high86.9Confident7 Ų725.4 Ų25.44%0.03615%0.151CC..EExtended strand (participates in β ladder)trans-103.4109.6179.2-66.3165000108L385 L574 H580 Y581 I582I107-L385 HydrophobicContact CG1-CD2 4.23Å; I107-L385 HydrophobicContact CG2-CD2 4.4Å; I107-L574 HydrophobicContact CD1-CD1 4.11Å; I107-L574 HydrophobicContact CD1-CD2 4.22Å; I107-L574 HydrophobicContact CG1-CD1 4.49Å; I107-L574 HydrophobicContact CG1-CD2 4.13Å; I107-H580 PolarHBondContact N-O 2.69Å; I107-Y581 HydrophobicContact CB-CD1 3.88Å; I107-Y581 HydrophobicContact CB-CE1 4.04Å; I107-Y581 HydrophobicContact CD1-CD1 4.38Å; I107-Y581 HydrophobicContact CD1-CE1 3.65Å; I107-Y581 HydrophobicContact CG1-CE1 4.39Å; I107-Y581 HydrophobicContact CG2-CD1 4.25Å; I107-Y581 HydrophobicContact CG2-CE1 4.38Å; I107-I582 PolarHBondContact O-N 2.89Å
108I90.6Very high86.6Confident0 Ų028.9 Ų28.90%017%0.172CC..EExtended strand (participates in β ladder)trans-99.9122.3-179.3-48.9179.2000108.3V106 K116 A119 A120 I123 V384 L385 I582V106-I108 HydrophobicContact CG2-CG1 4.16Å; I108-K116 HydrophobicContact CG2-CB 3.72Å; I108-K116 HydrophobicContact CG2-CD 4.46Å; I108-K116 HydrophobicContact CG2-CG 3.96Å; I108-A119 HydrophobicContact CD1-CB 4.28Å; I108-A119 HydrophobicContact CG2-CB 4.31Å; I108-A120 HydrophobicContact CD1-CB 3.83Å; I108-I123 HydrophobicContact CD1-CD1 4.23Å; I108-V384 HydrophobicContact CD1-CG1 4.09Å; I108-L385 WeakPolarHBondContact CB-O 3.42Å; I108-L385 PolarHBondContact N-O 3.37Å; I108-L385 VanDerWaalsContact N-O 3.16Å; I108-I582 HydrophobicContact CG1-CB 4.32Å; I108-I582 HydrophobicContact CG1-CD1 4.43Å; I108-I582 HydrophobicContact CG2-CB 4.24Å; I108-I582 HydrophobicContact CG2-CG2 4.34Å
109S87.2Confident86.9Confident9 Ų925.5 Ų25.56%0.06316%0.156CC..EExtended strand (participates in β ladder)trans-141.8163.2-168.660.30000112.1I582 R583 C584S109-I582 PolarHBondContact N-O 3.4Å; S109-I582 PolarHBondContact OG-O 2.84Å; S109-R583 WeakPolarHBondContact OG-CD 3.46Å; S109-R583 PolarHBondContact OG-NH1 3.44Å; S109-C584 WeakPolarHBondContact O-CB 3.27Å; S109-C584 PolarHBondContact O-N 2.81Å
110G86.3Confident87.1Confident5 Ų520 Ų205%0.05213%0.128CC..EExtended strand (participates in β ladder)trans130.3175.3-172.200000112.5K116 G389 C584G110-K116 PolarHBondContact O-NZ 2.95Å; G110-G389 WeakPolarHBondContact O-CA 3.44Å; G110-C584 WeakPolarHBondContact CA-O 3.41Å
111E82.2Confident87.4Confident9 Ų921.2 Ų21.24%0.04213%0.131CC..SBendtrans-64.3167-174-112168-131.100115A114 K116 R600 Y607E111-A114 VanDerWaalsContact O-CB 3.25Å; E111-A114 WeakPolarHBondContact O-CB 3.25Å; E111-A114 PolarHBondContact O-N 2.97Å; E111-K116 PolarHBondContact O-NZ 2.93Å; E111-R600 IonicContact OE1-CZ 2.86Å; E111-R600 IonicContact OE1-NH2 2.73Å; E111-R600 PolarHBondContact OE1-NH2 2.85Å; E111-R600 IonicContact OE2-CZ 3.18Å; E111-R600 IonicContact OE2-NE 3.45Å; E111-R600 IonicContact OE2-NH2 3.81Å; E111-R600 PolarHBondContact OE2-NH2 3.28Å; E111-Y607 WeakPolarHBondContact CB-OH 3.1Å; E111-Y607 VanDerWaalsContact CG-OH 3.25Å; E111-Y607 WeakPolarHBondContact CG-OH 3.28Å; E111-Y607 PolarHBondContact N-OH 2.96Å; E111-Y607 VanDerWaalsContact OE1-CE1 3.3Å; E111-Y607 WeakPolarHBondContact OE1-CE1 3.44Å; E111-Y607 PolarHBondContact OE1-OH 2.87Å
112S79.2Confident87.7Confident8 Ų821.8 Ų21.86%0.05612%0.121CC..THydrogen-bonded Turntrans-67.1133.6172.1-168.30000110.7A114 S165S112-A114 VanDerWaalsContact C-N 3.34Å; S112-S165 PolarHBondContact OG-OG 3.48Å
113G80.1Confident88Confident15 Ų1517.7 Ų17.716%0.15510%0.102CC..THydrogen-bonded Turntrans811.2-171.900000115.5N58 G115N58-G113 PolarHBondContact ND2-O 2.86Å; G113-G115 PolarHBondContact O-N 2.97Å
114A87.6Confident87.7Confident1 Ų115.4 Ų15.41%0.0089%0.09CC..SBendtrans-74.9-1.8179.300000115.2E111 S112 C584 K586E111-A114 VanDerWaalsContact O-CB 3.25Å; E111-A114 WeakPolarHBondContact O-CB 3.25Å; E111-A114 PolarHBondContact O-N 2.97Å; S112-A114 VanDerWaalsContact C-N 3.34Å; A114-C584 HydrophobicContact CB-CB 3.74Å; A114-C584 WeakPolarHBondContact O-CB 3.22Å; A114-K586 HydrophobicContact CB-CB 4.2Å
115G88Confident87.3Confident21 Ų2116.8 Ų16.822%0.21610%0.104CC..SBendtrans97.89.9175.200000116.8G113 T117 V118 A119G113-G115 PolarHBondContact O-N 2.97Å; G115-T117 PolarHBondContact O-N 3.33Å; G115-V118 WeakPolarHBondContact O-CB 3.28Å; G115-V118 PolarHBondContact O-N 2.75Å; G115-A119 PolarHBondContact O-N 2.97Å
116K88.1Confident87.2Confident13 Ų1316.8 Ų16.86%0.05710%0.104CC..Hα-helixtrans-51.2-51.9-174.9-58.7-167.1-66-77.30114.5I108 G110 E111 V118 A119 A120 D386 I387 C584I108-K116 HydrophobicContact CG2-CB 3.72Å; I108-K116 HydrophobicContact CG2-CD 4.46Å; I108-K116 HydrophobicContact CG2-CG 3.96Å; G110-K116 PolarHBondContact O-NZ 2.95Å; E111-K116 PolarHBondContact O-NZ 2.93Å; K116-V118 VanDerWaalsContact C-N 3.25Å; K116-V118 PolarHBondContact O-N 2.93Å; K116-A119 WeakPolarHBondContact O-CB 3.36Å; K116-A119 PolarHBondContact O-N 3.4Å; K116-A119 VanDerWaalsContact O-N 3.14Å; K116-A120 PolarHBondContact O-N 3.49Å; K116-D386 VanDerWaalsContact CB-OD1 3.28Å; K116-D386 WeakPolarHBondContact CB-OD1 3.36Å; K116-I387 WeakPolarHBondContact CE-O 3.42Å; K116-C584 HydrophobicContact CG-CB 3.94Å
117T83.6Confident86.9Confident26 Ų2616.9 Ų16.916%0.1610%0.104CC..Hα-helixtrans-63.3-28.6178.4-47.60000113.3G115 K121 D386G115-T117 PolarHBondContact O-N 3.33Å; T117-K121 WeakPolarHBondContact O-CG 3.45Å; T117-K121 PolarHBondContact O-N 2.9Å; T117-D386 VanDerWaalsContact CA-OD2 3.31Å; T117-D386 WeakPolarHBondContact CA-OD2 3.45Å; T117-D386 VanDerWaalsContact CB-OD2 3.22Å; T117-D386 WeakPolarHBondContact CB-OD2 3.06Å; T117-D386 WeakPolarHBondContact CG2-OD2 3.25Å; T117-D386 PolarHBondContact N-OD1 2.84Å; T117-D386 PolarHBondContact OG1-OD1 2.9Å; T117-D386 PolarHBondContact OG1-OD2 3Å
118V86.4Confident86.5Confident73 Ų7317.5 Ų17.544%0.44211%0.109SC..Hα-helixtrans-73.7-41.6175.1-179.40000110.3G115 K116 A120 K121 Y122G115-V118 WeakPolarHBondContact O-CB 3.28Å; G115-V118 PolarHBondContact O-N 2.75Å; K116-V118 VanDerWaalsContact C-N 3.25Å; K116-V118 PolarHBondContact O-N 2.93Å; V118-A120 VanDerWaalsContact C-N 3.32Å; V118-A120 PolarHBondContact O-N 3.08Å; V118-K121 PolarHBondContact O-N 3.24Å; V118-Y122 HydrophobicContact CG1-CD2 4.09Å; V118-Y122 HydrophobicContact CG1-CE2 3.5Å; V118-Y122 VanDerWaalsContact CG1-CE2 3.5Å; V118-Y122 WeakPolarHBondContact O-CD2 3.43Å; V118-Y122 PolarHBondContact O-N 2.92Å
119A91.3Very high86.2Confident4 Ų422.7 Ų22.73%0.03313%0.132CC..Hα-helixtrans-59.5-42.3171.100000111.7I86 I108 G115 K116 Y122 I123I86-A119 HydrophobicContact CD1-CB 3.59Å; I86-A119 WeakPolarHBondContact CD1-O 3.07Å; I108-A119 HydrophobicContact CD1-CB 4.28Å; I108-A119 HydrophobicContact CG2-CB 4.31Å; G115-A119 PolarHBondContact O-N 2.97Å; K116-A119 WeakPolarHBondContact O-CB 3.36Å; K116-A119 PolarHBondContact O-N 3.4Å; K116-A119 VanDerWaalsContact O-N 3.14Å; A119-Y122 PolarHBondContact O-N 2.83Å; A119-I123 WeakPolarHBondContact O-CG1 3.4Å; A119-I123 PolarHBondContact O-N 2.86Å; A119-I123 VanDerWaalsContact O-N 3.12Å
120A88.4Confident86.1Confident1 Ų123.1 Ų23.11%0.00813%0.134CC..Hα-helixtrans-59-46.9173.700000112.2I108 K116 V118 Y122 I123 M124 V384 D386I108-A120 HydrophobicContact CD1-CB 3.83Å; K116-A120 PolarHBondContact O-N 3.49Å; V118-A120 VanDerWaalsContact C-N 3.32Å; V118-A120 PolarHBondContact O-N 3.08Å; A120-Y122 PolarHBondContact O-N 3.19Å; A120-I123 PolarHBondContact O-N 3.25Å; A120-M124 HydrophobicContact CB-CE 4.13Å; A120-M124 WeakPolarHBondContact O-CE 3.41Å; A120-M124 WeakPolarHBondContact O-CG 3.31Å; A120-M124 PolarHBondContact O-N 3.08Å; A120-V384 HydrophobicContact CB-CG1 3.87Å; A120-D386 HydrophobicContact CB-CB 4.2Å
121K85.4Confident85.9Confident78 Ų7823.2 Ų23.234%0.33913%0.134SC..Hα-helixtrans-59.8-40.5176.5-75.1174.4-178.41780112.3T117 V118 G125 E152T117-K121 WeakPolarHBondContact O-CG 3.45Å; T117-K121 PolarHBondContact O-N 2.9Å; V118-K121 PolarHBondContact O-N 3.24Å; K121-G125 PolarHBondContact O-N 3.33Å; K121-E152 WeakPolarHBondContact CE-OE1 3.36Å; K121-E152 IonicContact NZ-OE1 3.42Å; K121-E152 PolarHBondContact NZ-OE1 3.15Å; K121-E152 IonicContact NZ-OE2 3.29Å; K121-E152 PolarHBondContact NZ-OE2 3.43Å
122Y90.4Very high85.5Confident50 Ų5024.7 Ų24.720%0.19615%0.151CC..Hα-helixtrans-66.6-37.4176-69-41.3000113.9F66 I86 V118 A119 A120 Y126F66-Y122 HydrophobicContact CB-CE1 4.02Å; F66-Y122 AromaticContact CD1-CD1 3.96Å; F66-Y122 HydrophobicContact CD1-CD1 3.96Å; F66-Y122 HydrophobicContact CD1-CD2 4.15Å; F66-Y122 AromaticContact CD1-CE1 3.83Å; F66-Y122 HydrophobicContact CD1-CE1 3.83Å; F66-Y122 HydrophobicContact CD1-CE2 4.01Å; F66-Y122 HydrophobicContact CD1-CG 4.14Å; F66-Y122 AromaticContact CD1-CZ 3.86Å; F66-Y122 HydrophobicContact CD2-CE1 4.01Å; F66-Y122 AromaticContact CD2-CE2 3.99Å; F66-Y122 HydrophobicContact CD2-CE2 3.99Å; F66-Y122 AromaticContact CD2-CZ 3.5Å; F66-Y122 VanDerWaalsContact CD2-CZ 3.5Å; F66-Y122 VanDerWaalsContact CD2-OH 3.27Å; F66-Y122 WeakPolarHBondContact CD2-OH 3.31Å; F66-Y122 HydrophobicContact CE1-CD1 4.3Å; F66-Y122 AromaticContact CE1-CD2 3.66Å; F66-Y122 HydrophobicContact CE1-CD2 3.66Å; F66-Y122 HydrophobicContact CE1-CE1 4.26Å; F66-Y122 AromaticContact CE1-CE2 3.58Å; F66-Y122 HydrophobicContact CE1-CE2 3.58Å; F66-Y122 HydrophobicContact CE1-CG 4.04Å; F66-Y122 AromaticContact CE1-CZ 3.92Å; F66-Y122 HydrophobicContact CE2-CD2 4.45Å; F66-Y122 HydrophobicContact CE2-CE1 4.41Å; F66-Y122 AromaticContact CE2-CE2 3.55Å; F66-Y122 HydrophobicContact CE2-CE2 3.55Å; F66-Y122 AromaticContact CE2-CZ 3.55Å; F66-Y122 WeakPolarHBondContact CE2-OH 3.41Å; F66-Y122 HydrophobicContact CG-CD1 4.27Å; F66-Y122 AromaticContact CG-CE1 3.69Å; F66-Y122 HydrophobicContact CG-CE1 3.69Å; F66-Y122 HydrophobicContact CG-CE2 4.2Å; F66-Y122 AromaticContact CG-CZ 3.66Å; F66-Y122 AromaticContact CZ-CD2 3.82Å; F66-Y122 HydrophobicContact CZ-CD2 3.82Å; F66-Y122 AromaticContact CZ-CE2 3.32Å; F66-Y122 HydrophobicContact CZ-CE2 3.32Å; F66-Y122 AromaticContact CZ-CZ 3.76Å; I86-Y122 HydrophobicContact CG2-CD2 4.49Å; V118-Y122 HydrophobicContact CG1-CD2 4.09Å; V118-Y122 HydrophobicContact CG1-CE2 3.5Å; V118-Y122 VanDerWaalsContact CG1-CE2 3.5Å; V118-Y122 WeakPolarHBondContact O-CD2 3.43Å; V118-Y122 PolarHBondContact O-N 2.92Å; A119-Y122 PolarHBondContact O-N 2.83Å; A120-Y122 PolarHBondContact O-N 3.19Å; Y122-Y126 WeakPolarHBondContact O-CB 3.43Å; Y122-Y126 PolarHBondContact O-N 2.87Å
123I91.8Very high85Confident0 Ų026.2 Ų26.20%017%0.169CC..Hα-helixtrans-66.8-47.3176-65.7172.3000110.4I86 L89 A90 V106 I108 A119 A120 G125 Y126 I127 V384 I582I86-I123 HydrophobicContact CD1-CD1 4.1Å; I86-I123 HydrophobicContact CD1-CG1 3.83Å; I86-I123 HydrophobicContact CG1-CD1 4.15Å; I86-I123 HydrophobicContact CG1-CG1 3.73Å; L89-I123 HydrophobicContact CD2-CD1 4.35Å; A90-I123 HydrophobicContact CB-CG1 4.47Å; A90-I123 HydrophobicContact CB-CG2 4.17Å; V106-I123 HydrophobicContact CG1-CD1 3.86Å; V106-I123 HydrophobicContact CG2-CD1 4.16Å; I108-I123 HydrophobicContact CD1-CD1 4.23Å; A119-I123 WeakPolarHBondContact O-CG1 3.4Å; A119-I123 PolarHBondContact O-N 2.86Å; A119-I123 VanDerWaalsContact O-N 3.12Å; A120-I123 PolarHBondContact O-N 3.25Å; I123-G125 VanDerWaalsContact C-N 3.35Å; I123-G125 PolarHBondContact O-N 3.38Å; I123-Y126 PolarHBondContact O-N 3.49Å; I123-I127 HydrophobicContact CG2-CD1 3.67Å; I123-I127 HydrophobicContact CG2-CG1 4.44Å; I123-I127 WeakPolarHBondContact O-CB 3.23Å; I123-I127 WeakPolarHBondContact O-CG1 3.45Å; I123-I127 PolarHBondContact O-N 3.5Å; I123-V384 HydrophobicContact CG2-CG2 4.15Å; I123-I582 HydrophobicContact CD1-CD1 3.69Å
124M85Confident84.6Confident4 Ų427.7 Ų27.72%0.0218%0.183CC..Hα-helixtrans-61.4-42.2177.1-69.6-173.5-81.600111.7A120 S128 I144 L145 F172 I174 V384A120-M124 HydrophobicContact CB-CE 4.13Å; A120-M124 WeakPolarHBondContact O-CE 3.41Å; A120-M124 WeakPolarHBondContact O-CG 3.31Å; A120-M124 PolarHBondContact O-N 3.08Å; M124-S128 WeakPolarHBondContact O-CB 3.47Å; M124-S128 PolarHBondContact O-N 3.02Å; M124-I144 HydrophobicContact SD-CG2 4.07Å; M124-L145 HydrophobicContact CB-CD2 4.43Å; M124-F172 HydrophobicContact CE-CD2 4.2Å; M124-F172 HydrophobicContact CE-CE2 4.04Å; M124-F172 HydrophobicContact CE-CZ 4.44Å; M124-F172 HydrophobicContact SD-CB 4.44Å; M124-F172 HydrophobicContact SD-CD1 4.3Å; M124-F172 HydrophobicContact SD-CD2 4.13Å; M124-F172 HydrophobicContact SD-CE2 4.4Å; M124-F172 HydrophobicContact SD-CG 4.07Å; M124-I174 HydrophobicContact CG-CD1 4.35Å; M124-V384 HydrophobicContact CG-CG2 4.48Å
125G85.1Confident84Confident29 Ų2932.9 Ų32.930%0.29922%0.22SC..Hα-helixtrans-62.6-44.7175.200000113.5K121 I123 S128 K129K121-G125 PolarHBondContact O-N 3.33Å; I123-G125 VanDerWaalsContact C-N 3.35Å; I123-G125 PolarHBondContact O-N 3.38Å; G125-S128 WeakPolarHBondContact O-CB 3.17Å; G125-S128 PolarHBondContact O-N 3.49Å; G125-K129 PolarHBondContact O-N 2.9Å
126Y90.4Very high83.2Confident0 Ų038 Ų380%024%0.236CC..Hα-helixtrans-61.3-53176.6-177.1-90.5000111.7I71 Q75 Y87 A90 D91 Y122 I123 S128 K129 V130I71-Y126 HydrophobicContact CB-CD2 4.39Å; I71-Y126 HydrophobicContact CB-CE2 4.3Å; I71-Y126 HydrophobicContact CG1-CD2 4.12Å; I71-Y126 HydrophobicContact CG2-CD2 3.97Å; I71-Y126 HydrophobicContact CG2-CE2 3.76Å; Q75-Y126 VanDerWaalsContact CA-OH 3.26Å; Q75-Y126 WeakPolarHBondContact CA-OH 3.34Å; Q75-Y126 PolarHBondContact N-OH 3.13Å; Y87-Y126 AromaticContact CD1-CD2 3.54Å; Y87-Y126 HydrophobicContact CD1-CD2 3.54Å; Y87-Y126 HydrophobicContact CD1-CE2 4.48Å; Y87-Y126 AromaticContact CD1-CG 3.91Å; Y87-Y126 HydrophobicContact CD1-CG 3.91Å; Y87-Y126 AromaticContact CD2-CD2 3.93Å; Y87-Y126 HydrophobicContact CD2-CD2 3.93Å; Y87-Y126 HydrophobicContact CD2-CE2 4.32Å; Y87-Y126 HydrophobicContact CE1-CD2 4.18Å; Y87-Y126 AromaticContact CG-CD2 3.41Å; Y87-Y126 HydrophobicContact CG-CD2 3.41Å; Y87-Y126 VanDerWaalsContact CG-CD2 3.41Å; Y87-Y126 AromaticContact CG-CE2 3.94Å; Y87-Y126 HydrophobicContact CG-CE2 3.94Å; Y87-Y126 HydrophobicContact CG-CG 4.19Å; A90-Y126 HydrophobicContact CB-CD1 3.52Å; A90-Y126 HydrophobicContact CB-CE1 4.21Å; A90-Y126 HydrophobicContact CB-CG 4.03Å; D91-Y126 HydrophobicContact CB-CE1 3.74Å; D91-Y126 WeakPolarHBondContact CB-OH 3.41Å; D91-Y126 VanDerWaalsContact CG-OH 3.27Å; D91-Y126 PolarHBondContact OD1-OH 3.14Å; Y122-Y126 WeakPolarHBondContact O-CB 3.43Å; Y122-Y126 PolarHBondContact O-N 2.87Å; I123-Y126 PolarHBondContact O-N 3.49Å; Y126-S128 VanDerWaalsContact C-N 3.28Å; Y126-S128 PolarHBondContact O-N 2.94Å; Y126-K129 PolarHBondContact O-N 3.37Å; Y126-V130 HydrophobicContact CD1-CG1 4.26Å; Y126-V130 HydrophobicContact CD1-CG2 4.1Å; Y126-V130 HydrophobicContact CD2-CG1 4.42Å; Y126-V130 HydrophobicContact CE1-CB 4.41Å; Y126-V130 HydrophobicContact CE1-CG1 3.76Å; Y126-V130 HydrophobicContact CE1-CG2 3.79Å; Y126-V130 HydrophobicContact CE2-CG1 3.94Å; Y126-V130 WeakPolarHBondContact O-CG2 3.41Å; Y126-V130 PolarHBondContact O-N 3.32Å
127I88.1Confident82.7Confident1 Ų137.7 Ų37.71%0.00524%0.235CC..Hα-helixtrans-58.5-41.9178.6-70.4172.5000110.7A90 I123 K129 S131 I174 F176 I382A90-I127 HydrophobicContact CB-CG1 4.48Å; I123-I127 HydrophobicContact CG2-CD1 3.67Å; I123-I127 HydrophobicContact CG2-CG1 4.44Å; I123-I127 WeakPolarHBondContact O-CB 3.23Å; I123-I127 WeakPolarHBondContact O-CG1 3.45Å; I123-I127 PolarHBondContact O-N 3.5Å; I127-K129 VanDerWaalsContact C-N 3.35Å; I127-K129 PolarHBondContact O-N 2.86Å; I127-S131 VanDerWaalsContact O-CB 3.22Å; I127-S131 WeakPolarHBondContact O-CB 3.41Å; I127-S131 PolarHBondContact O-N 2.97Å; I127-S131 PolarHBondContact O-OG 3.04Å; I127-I174 HydrophobicContact CB-CD1 4.44Å; I127-I174 HydrophobicContact CD1-CD1 4.49Å; I127-I174 HydrophobicContact CG2-CD1 3.88Å; I127-F176 HydrophobicContact CG2-CE1 4.08Å; I127-F176 HydrophobicContact CG2-CZ 3.64Å; I127-I382 HydrophobicContact CD1-CB 4.46Å; I127-I382 HydrophobicContact CD1-CD1 3.97Å; I127-I382 HydrophobicContact CD1-CG2 3.83Å
128S81.5Confident82.4Confident21 Ų2140.5 Ų40.515%0.14725%0.247CC..Hα-helixtrans-59.1-42.7174.7-178.40000112.1M124 G125 Y126 K141M124-S128 WeakPolarHBondContact O-CB 3.47Å; M124-S128 PolarHBondContact O-N 3.02Å; G125-S128 WeakPolarHBondContact O-CB 3.17Å; G125-S128 PolarHBondContact O-N 3.49Å; Y126-S128 VanDerWaalsContact C-N 3.28Å; Y126-S128 PolarHBondContact O-N 2.94Å; S128-K141 VanDerWaalsContact O-CE 3.29Å; S128-K141 WeakPolarHBondContact O-CE 3.4Å; S128-K141 PolarHBondContact O-NZ 3.26Å; S128-K141 WeakPolarHBondContact OG-CD 3.42Å
129K83.9Confident82.2Confident109 Ų10941.8 Ų41.847%0.47425%0.248SC..Hα-helixtrans-70.8-49.2179.4-165.965.2171.3-110.20112.9D68 I71 G125 Y126 I127 S131D68-K129 IonicContact OD1-NZ 2.71Å; D68-K129 PolarHBondContact OD1-NZ 2.74Å; D68-K129 IonicContact OD2-NZ 2.65Å; D68-K129 PolarHBondContact OD2-NZ 3.27Å; I71-K129 HydrophobicContact CD1-CB 4Å; I71-K129 HydrophobicContact CD1-CG 3.88Å; I71-K129 HydrophobicContact CG2-CB 4.36Å; I71-K129 HydrophobicContact CG2-CG 4.1Å; G125-K129 PolarHBondContact O-N 2.9Å; Y126-K129 PolarHBondContact O-N 3.37Å; I127-K129 VanDerWaalsContact C-N 3.35Å; I127-K129 PolarHBondContact O-N 2.86Å; K129-S131 PolarHBondContact O-N 3.39Å
130V86.4Confident81.7Confident18 Ų1841.9 Ų41.911%0.10925%0.248CC..Hα-helixtrans-78.1-18.1-170.8-57.40000115.1I71 Q75 Y94 Y126I71-V130 HydrophobicContact CG2-CG1 3.72Å; Q75-V130 HydrophobicContact CG-CG1 4.21Å; Y94-V130 HydrophobicContact CD1-CG2 4.09Å; Y94-V130 HydrophobicContact CE1-CG2 4.29Å; Y126-V130 HydrophobicContact CD1-CG1 4.26Å; Y126-V130 HydrophobicContact CD1-CG2 4.1Å; Y126-V130 HydrophobicContact CD2-CG1 4.42Å; Y126-V130 HydrophobicContact CE1-CB 4.41Å; Y126-V130 HydrophobicContact CE1-CG1 3.76Å; Y126-V130 HydrophobicContact CE1-CG2 3.79Å; Y126-V130 HydrophobicContact CE2-CG1 3.94Å; Y126-V130 WeakPolarHBondContact O-CG2 3.41Å; Y126-V130 PolarHBondContact O-N 3.32Å
131S81.1Confident81.2Confident7 Ų742.4 Ų42.45%0.04925%0.25CC..THydrogen-bonded Turntrans-85.5-6.4-173.757.60000115.9I127 K129 K141 G180 P182I127-S131 VanDerWaalsContact O-CB 3.22Å; I127-S131 WeakPolarHBondContact O-CB 3.41Å; I127-S131 PolarHBondContact O-N 2.97Å; I127-S131 PolarHBondContact O-OG 3.04Å; K129-S131 PolarHBondContact O-N 3.39Å; S131-K141 WeakPolarHBondContact OG-CE 3.5Å; S131-K141 PolarHBondContact OG-NZ 3.03Å; S131-G180 WeakPolarHBondContact CB-O 3.31Å; S131-P182 WeakPolarHBondContact OG-CD 3.5Å
132G73.3Confident81Confident39 Ų3941.6 Ų41.640%0.40225%0.249SC..  trans61-148174.500000114.9V137 K141G132-V137 VanDerWaalsContact O-CG1 3.27Å; G132-V137 WeakPolarHBondContact O-CG1 3.24Å; G132-K141 PolarHBondContact O-NZ 3.07Å
133G68.6Low80.8Confident41 Ų4139.2 Ų39.242%0.42324%0.24SC..  trans96.5166.5176.600000116.2E181G133-E181 VanDerWaalsContact CA-CD 3.48Å
134G71.8Confident80.3Confident45 Ų4539.7 Ų39.746%0.46424%0.242SC..  trans-85.6-169.9-175.900000115.3K136 V137 Q138G134-K136 VanDerWaalsContact C-N 3.33Å; G134-K136 PolarHBondContact O-N 3.18Å; G134-V137 WeakPolarHBondContact O-CA 3.28Å; G134-V137 WeakPolarHBondContact O-CB 3.26Å; G134-V137 PolarHBondContact O-N 3.01Å; G134-Q138 PolarHBondContact O-N 2.83Å
135S74.5Confident80.1Confident110 Ų11042.6 Ų42.677%0.76926%0.258SS*.Hα-helixtrans-56-37.6-174.653.80000114.9V137 Q138 H139S135-V137 VanDerWaalsContact C-N 3.34Å; S135-V137 PolarHBondContact O-N 3.36Å; S135-Q138 PolarHBondContact O-N 3.25Å; S135-H139 PolarHBondContact O-N 3.46Å
136K72.7Confident80.1Confident128 Ų12844.2 Ų44.256%0.55726%0.257SS*.Hα-helixtrans-62.5-41.2174-169.1-160.5172.7-149.70111.8G134 H139 V140 D183G134-K136 VanDerWaalsContact C-N 3.33Å; G134-K136 PolarHBondContact O-N 3.18Å; K136-H139 PolarHBondContact O-N 3.35Å; K136-V140 PolarHBondContact O-N 3.17Å; K136-V140 VanDerWaalsContact O-N 3.14Å; K136-D183 PolarHBondContact NZ-O 2.99Å
137V76.1Confident80Confident7 Ų744.2 Ų44.24%0.04226%0.257CS..Hα-helixtrans-68.6-38.8179.11690000110.4G132 G134 S135 V140 K141 E181 P182G132-V137 VanDerWaalsContact O-CG1 3.27Å; G132-V137 WeakPolarHBondContact O-CG1 3.24Å; G134-V137 WeakPolarHBondContact O-CA 3.28Å; G134-V137 WeakPolarHBondContact O-CB 3.26Å; G134-V137 PolarHBondContact O-N 3.01Å; S135-V137 VanDerWaalsContact C-N 3.34Å; S135-V137 PolarHBondContact O-N 3.36Å; V137-V140 PolarHBondContact O-N 3.11Å; V137-K141 HydrophobicContact CG1-CD 4.2Å; V137-K141 VanDerWaalsContact O-CG 3.31Å; V137-K141 WeakPolarHBondContact O-CG 3.41Å; V137-K141 PolarHBondContact O-N 3.03Å; V137-K141 VanDerWaalsContact O-N 3.08Å; V137-E181 HydrophobicContact CG2-CB 4.05Å; V137-P182 HydrophobicContact CG1-CG 3.91Å; V137-P182 WeakPolarHBondContact CG1-O 3.38Å
138Q78.9Confident80Confident86 Ų8644.3 Ų44.340%0.40226%0.258SS..Hα-helixtrans-61.9-46.8172.5-168.157.444.700111.6G134 S135 V140 K141 D142G134-Q138 PolarHBondContact O-N 2.83Å; S135-Q138 PolarHBondContact O-N 3.25Å; Q138-V140 VanDerWaalsContact C-N 3.33Å; Q138-V140 PolarHBondContact O-N 3.3Å; Q138-K141 WeakPolarHBondContact O-CA 3.43Å; Q138-K141 WeakPolarHBondContact O-CB 3.35Å; Q138-K141 PolarHBondContact O-N 2.92Å; Q138-D142 PolarHBondContact NE2-OD1 3.47Å; Q138-D142 PolarHBondContact O-N 2.94Å
139H80.8Confident80.5Confident100 Ų10044.8 Ų44.846%0.46326%0.261SS..Hα-helixtrans-57.8-41.3177.4-178.644.8000113.2S135 K136 D142 I143S135-H139 PolarHBondContact O-N 3.46Å; K136-H139 PolarHBondContact O-N 3.35Å; H139-D142 PolarHBondContact O-N 3.19Å; H139-I143 VanDerWaalsContact CE1-CD1 3.48Å; H139-I143 WeakPolarHBondContact CE1-CD1 3.47Å; H139-I143 WeakPolarHBondContact O-CG1 3.35Å; H139-I143 PolarHBondContact O-N 2.91Å
140V80.8Confident81Confident6 Ų639.6 Ų39.64%0.03624%0.238CC..Hα-helixtrans-63.1-42.5174.2171.50000111.5K136 V137 Q138 I144 I373K136-V140 PolarHBondContact O-N 3.17Å; K136-V140 VanDerWaalsContact O-N 3.14Å; V137-V140 PolarHBondContact O-N 3.11Å; Q138-V140 VanDerWaalsContact C-N 3.33Å; Q138-V140 PolarHBondContact O-N 3.3Å; V140-I144 HydrophobicContact CG1-CD1 3.83Å; V140-I144 VanDerWaalsContact O-CG1 3.28Å; V140-I144 WeakPolarHBondContact O-CG1 3.44Å; V140-I144 PolarHBondContact O-N 3.45Å; V140-I373 HydrophobicContact CG1-CG2 4.46Å
141K78.1Confident81.3Confident11 Ų1138.8 Ų38.85%0.04823%0.233CC..Hα-helixtrans-62-43.8175-69.7163.8176.5-171.60111.9S128 S131 G132 V137 Q138 I144 L145 P182S128-K141 VanDerWaalsContact O-CE 3.29Å; S128-K141 WeakPolarHBondContact O-CE 3.4Å; S128-K141 PolarHBondContact O-NZ 3.26Å; S128-K141 WeakPolarHBondContact OG-CD 3.42Å; S131-K141 WeakPolarHBondContact OG-CE 3.5Å; S131-K141 PolarHBondContact OG-NZ 3.03Å; G132-K141 PolarHBondContact O-NZ 3.07Å; V137-K141 HydrophobicContact CG1-CD 4.2Å; V137-K141 VanDerWaalsContact O-CG 3.31Å; V137-K141 WeakPolarHBondContact O-CG 3.41Å; V137-K141 PolarHBondContact O-N 3.03Å; V137-K141 VanDerWaalsContact O-N 3.08Å; Q138-K141 WeakPolarHBondContact O-CA 3.43Å; Q138-K141 WeakPolarHBondContact O-CB 3.35Å; Q138-K141 PolarHBondContact O-N 2.92Å; K141-I144 PolarHBondContact O-N 2.92Å; K141-L145 WeakPolarHBondContact O-CG 3.48Å; K141-L145 PolarHBondContact O-N 2.7Å; K141-P182 HydrophobicContact CD-CG 4.47Å; K141-P182 HydrophobicContact CG-CG 4.27Å
142D82.3Confident81.9Confident61 Ų6139.4 Ų39.433%0.32624%0.235SC..Hα-helixtrans-63.1-45.4-179.6-60.7-27000110.7Q138 H139 L145 Q146Q138-D142 PolarHBondContact NE2-OD1 3.47Å; Q138-D142 PolarHBondContact O-N 2.94Å; H139-D142 PolarHBondContact O-N 3.19Å; D142-L145 PolarHBondContact O-N 3.02Å; D142-Q146 VanDerWaalsContact O-CB 3.29Å; D142-Q146 WeakPolarHBondContact O-CB 3.43Å; D142-Q146 VanDerWaalsContact O-CG 3.3Å; D142-Q146 WeakPolarHBondContact O-CG 3.41Å; D142-Q146 PolarHBondContact O-N 2.89Å
143I86.1Confident83Confident0 Ų037.6 Ų37.60%022%0.216CC..Hα-helixtrans-61.6-45.1174.6-63.9158.8000111.3H139 L145 Q146 S147 V262 I263 I369 A372 I373H139-I143 VanDerWaalsContact CE1-CD1 3.48Å; H139-I143 WeakPolarHBondContact CE1-CD1 3.47Å; H139-I143 WeakPolarHBondContact O-CG1 3.35Å; H139-I143 PolarHBondContact O-N 2.91Å; I143-L145 VanDerWaalsContact C-N 3.32Å; I143-L145 PolarHBondContact O-N 2.83Å; I143-Q146 PolarHBondContact O-N 2.9Å; I143-S147 WeakPolarHBondContact O-CB 3.47Å; I143-S147 PolarHBondContact O-N 2.91Å; I143-V262 HydrophobicContact CG1-CG1 4.43Å; I143-I263 HydrophobicContact CG2-CG1 4.14Å; I143-I369 HydrophobicContact CG2-CG2 4.11Å; I143-A372 HydrophobicContact CD1-CB 3.89Å; I143-A372 HydrophobicContact CG2-CB 4.31Å; I143-I373 HydrophobicContact CB-CG2 3.77Å; I143-I373 HydrophobicContact CD1-CG2 4.08Å; I143-I373 HydrophobicContact CG2-CG2 3.46Å; I143-I373 VanDerWaalsContact CG2-CG2 3.46Å
144I81.8Confident84.3Confident11 Ų1135.6 Ų35.66%0.05620%0.196CC..Hα-helixtrans-60.9-42.1179.4-71.2168.3000110.8M124 V140 K141 S147 N148 I174 I373M124-I144 HydrophobicContact SD-CG2 4.07Å; V140-I144 HydrophobicContact CG1-CD1 3.83Å; V140-I144 VanDerWaalsContact O-CG1 3.28Å; V140-I144 WeakPolarHBondContact O-CG1 3.44Å; V140-I144 PolarHBondContact O-N 3.45Å; K141-I144 PolarHBondContact O-N 2.92Å; I144-S147 PolarHBondContact O-OG 2.82Å; I144-N148 PolarHBondContact O-ND2 2.77Å; I144-I174 HydrophobicContact CD1-CG1 4.43Å; I144-I373 HydrophobicContact CG1-CD1 4.23Å; I144-I373 HydrophobicContact CG1-CG2 4.31Å
145L81.1Confident85.4Confident65 Ų6533.5 Ų33.534%0.3417%0.174SC..Hα-helixtrans-68.8-51.8177.2-68171.6000111.6M124 K141 D142 I143 S147 N148M124-L145 HydrophobicContact CB-CD2 4.43Å; K141-L145 WeakPolarHBondContact O-CG 3.48Å; K141-L145 PolarHBondContact O-N 2.7Å; D142-L145 PolarHBondContact O-N 3.02Å; I143-L145 VanDerWaalsContact C-N 3.32Å; I143-L145 PolarHBondContact O-N 2.83Å; L145-S147 PolarHBondContact O-N 3.12Å; L145-N148 PolarHBondContact O-N 3.46Å; L145-N148 VanDerWaalsContact O-N 3.16Å; L145-N148 PolarHBondContact O-ND2 2.9Å
146Q83.7Confident86.2Confident62 Ų6228.3 Ų28.329%0.2914%0.138SC..Hα-helixtrans-71.1-13.1-178-63.5-6822.200114.2D142 I143 N148 P149 A259 V262D142-Q146 VanDerWaalsContact O-CB 3.29Å; D142-Q146 WeakPolarHBondContact O-CB 3.43Å; D142-Q146 VanDerWaalsContact O-CG 3.3Å; D142-Q146 WeakPolarHBondContact O-CG 3.41Å; D142-Q146 PolarHBondContact O-N 2.89Å; I143-Q146 PolarHBondContact O-N 2.9Å; Q146-N148 PolarHBondContact O-N 2.84Å; Q146-P149 WeakPolarHBondContact O-CD 3.48Å; Q146-A259 WeakPolarHBondContact O-CB 3.13Å; Q146-V262 HydrophobicContact CB-CB 4.45Å; Q146-V262 HydrophobicContact CB-CG1 4.21Å; Q146-V262 HydrophobicContact CG-CG1 4.15Å
147S88.5Confident87.1Confident0 Ų022.2 Ų22.20%011%0.111CC..Hα-helixtrans-60.9-22.5168.273.20000113.2I143 I144 L145 L151I143-S147 WeakPolarHBondContact O-CB 3.47Å; I143-S147 PolarHBondContact O-N 2.91Å; I144-S147 PolarHBondContact O-OG 2.82Å; L145-S147 PolarHBondContact O-N 3.12Å; S147-L151 WeakPolarHBondContact O-CB 3.39Å; S147-L151 VanDerWaalsContact O-CG 3.25Å; S147-L151 WeakPolarHBondContact O-CG 3.36Å; S147-L151 PolarHBondContact O-N 2.85Å
148N87.9Confident87.8Confident4 Ų423.7 Ų23.72%0.02112%0.117CC..Hα-helixtrans-70.8-51.2-175.3-71-84.9000113.4I144 L145 Q146 L150 L151 E152 K170I144-N148 PolarHBondContact O-ND2 2.77Å; L145-N148 PolarHBondContact O-N 3.46Å; L145-N148 VanDerWaalsContact O-N 3.16Å; L145-N148 PolarHBondContact O-ND2 2.9Å; Q146-N148 PolarHBondContact O-N 2.84Å; N148-L150 VanDerWaalsContact C-N 3.32Å; N148-L150 PolarHBondContact O-N 3.12Å; N148-L151 PolarHBondContact O-N 3.32Å; N148-E152 VanDerWaalsContact O-CB 3.3Å; N148-E152 WeakPolarHBondContact O-CB 3.41Å; N148-E152 VanDerWaalsContact O-CG 3.26Å; N148-E152 WeakPolarHBondContact O-CG 3.43Å; N148-E152 PolarHBondContact O-N 3.09Å; N148-K170 PolarHBondContact OD1-NZ 3.24Å
149P92.1Very high88.1Confident31 Ų3119.6 Ų19.620%0.20110%0.098CC..Hα-helixtrans-47.7-50.3171.7-31.434.4000113.6Q146 E152 A153 E255 A259Q146-P149 WeakPolarHBondContact O-CD 3.48Å; P149-E152 PolarHBondContact O-N 3.15Å; P149-A153 WeakPolarHBondContact O-CB 3.21Å; P149-A153 PolarHBondContact O-N 2.92Å; P149-E255 HydrophobicContact CB-CB 4.38Å; P149-A259 HydrophobicContact CB-CB 4.32Å
150L94.8Very high88Confident0 Ų019.4 Ų19.40%010%0.104CC..Hα-helixtrans-62.4-47.2179.6-178.961.7000113.1N148 E152 A153 F154 T256 A259 M260 I263 I265 L365 I369N148-L150 VanDerWaalsContact C-N 3.32Å; N148-L150 PolarHBondContact O-N 3.12Å; L150-E152 VanDerWaalsContact C-N 3.33Å; L150-A153 PolarHBondContact O-N 3.28Å; L150-F154 HydrophobicContact CD1-CD2 3.83Å; L150-F154 HydrophobicContact CD1-CE2 3.72Å; L150-F154 PolarHBondContact O-N 2.97Å; L150-T256 HydrophobicContact CD1-CG2 3.88Å; L150-A259 HydrophobicContact CB-CB 4.05Å; L150-M260 HydrophobicContact CD1-CG 3.62Å; L150-M260 HydrophobicContact CD1-SD 4.08Å; L150-M260 HydrophobicContact CD2-CG 3.96Å; L150-M260 HydrophobicContact CG-CG 4.4Å; L150-I263 HydrophobicContact CB-CD1 4.48Å; L150-I263 HydrophobicContact CD2-CD1 3.41Å; L150-I263 VanDerWaalsContact CD2-CD1 3.41Å; L150-I265 HydrophobicContact CD2-CD1 4.36Å; L150-L365 HydrophobicContact CD1-CD1 4.17Å; L150-L365 HydrophobicContact CD1-CD2 4.48Å; L150-L365 HydrophobicContact CD2-CD2 4.29Å; L150-I369 HydrophobicContact CD2-CD1 4.38Å
151L93.4Very high87.6Confident0 Ų021.5 Ų21.50%011%0.111CC..Hα-helixtrans-73.7-24.2-179.6-67.1174.8000112.9S147 N148 G155 F168 I187 F362 V366 I369S147-L151 WeakPolarHBondContact O-CB 3.39Å; S147-L151 VanDerWaalsContact O-CG 3.25Å; S147-L151 WeakPolarHBondContact O-CG 3.36Å; S147-L151 PolarHBondContact O-N 2.85Å; N148-L151 PolarHBondContact O-N 3.32Å; L151-G155 WeakPolarHBondContact O-CA 3.32Å; L151-G155 PolarHBondContact O-N 3.23Å; L151-F168 HydrophobicContact CB-CZ 4.02Å; L151-F168 WeakPolarHBondContact O-CE1 3.32Å; L151-I187 HydrophobicContact CD1-CD1 4.05Å; L151-I187 HydrophobicContact CD1-CG2 4.42Å; L151-F362 HydrophobicContact CD2-CE2 3.96Å; L151-F362 HydrophobicContact CD2-CZ 4.22Å; L151-V366 HydrophobicContact CD2-CG2 3.68Å; L151-I369 HydrophobicContact CD1-CD1 3.92Å; L151-I369 HydrophobicContact CD2-CD1 3.93Å; L151-I369 HydrophobicContact CG-CD1 3.85Å
152E92.1Very high87.7Confident20 Ų2022.7 Ų22.79%0.09312%0.118CC..Hα-helixtrans-78.7-36.6172.1-69179.3-144.600111.3K121 N148 P149 L150 N156 N164 K170K121-E152 WeakPolarHBondContact CE-OE1 3.36Å; K121-E152 IonicContact NZ-OE1 3.42Å; K121-E152 PolarHBondContact NZ-OE1 3.15Å; K121-E152 IonicContact NZ-OE2 3.29Å; K121-E152 PolarHBondContact NZ-OE2 3.43Å; N148-E152 VanDerWaalsContact O-CB 3.3Å; N148-E152 WeakPolarHBondContact O-CB 3.41Å; N148-E152 VanDerWaalsContact O-CG 3.26Å; N148-E152 WeakPolarHBondContact O-CG 3.43Å; N148-E152 PolarHBondContact O-N 3.09Å; P149-E152 PolarHBondContact O-N 3.15Å; L150-E152 VanDerWaalsContact C-N 3.33Å; E152-N156 HydrophobicContact CB-CB 4.47Å; E152-N156 WeakPolarHBondContact O-CA 3.46Å; E152-N156 WeakPolarHBondContact O-CB 3.06Å; E152-N156 PolarHBondContact O-N 3.16Å; E152-N164 PolarHBondContact OE2-ND2 2.94Å; E152-K170 IonicContact OE1-NZ 2.65Å
153A96.3Very high87.8Confident1 Ų121.6 Ų21.61%0.00811%0.112CC..Hα-helixtrans-58.1-50.6173.500000112.5P149 L150 H208 I209 T256P149-A153 WeakPolarHBondContact O-CB 3.21Å; P149-A153 PolarHBondContact O-N 2.92Å; L150-A153 PolarHBondContact O-N 3.28Å; A153-H208 PolarHBondContact O-N 3.35Å; A153-I209 HydrophobicContact CB-CB 4.4Å; A153-I209 HydrophobicContact CB-CD1 4.44Å; A153-I209 WeakPolarHBondContact O-CB 3.2Å; A153-I209 PolarHBondContact O-N 3.18Å; A153-T256 HydrophobicContact CB-CG2 3.78Å; A153-T256 WeakPolarHBondContact CB-OG1 3.23Å
154F97.2Very high87.8Confident0 Ų024.7 Ų24.70%013%0.128CC..Hα-helixtrans-88.7-18.8-178.6-73.6-97.7000114.3L150 F207 I209 T256 V273 Y358 L361 F362 L365L150-F154 HydrophobicContact CD1-CD2 3.83Å; L150-F154 HydrophobicContact CD1-CE2 3.72Å; L150-F154 PolarHBondContact O-N 2.97Å; F154-F207 WeakPolarHBondContact O-CD1 3.3Å; F154-I209 HydrophobicContact CD1-CB 4.39Å; F154-I209 HydrophobicContact CD1-CG1 4.32Å; F154-I209 HydrophobicContact CD1-CG2 3.95Å; F154-I209 HydrophobicContact CD2-CB 4.35Å; F154-I209 HydrophobicContact CD2-CD1 4.36Å; F154-I209 HydrophobicContact CD2-CG1 4.24Å; F154-I209 HydrophobicContact CE1-CB 4.42Å; F154-I209 HydrophobicContact CE1-CG1 3.87Å; F154-I209 HydrophobicContact CE1-CG2 4.17Å; F154-I209 HydrophobicContact CE2-CB 4.39Å; F154-I209 HydrophobicContact CE2-CD1 3.7Å; F154-I209 HydrophobicContact CE2-CG1 3.78Å; F154-I209 HydrophobicContact CG-CB 4.36Å; F154-I209 HydrophobicContact CG-CG2 4.25Å; F154-I209 HydrophobicContact CZ-CB 4.42Å; F154-I209 HydrophobicContact CZ-CD1 3.86Å; F154-I209 HydrophobicContact CZ-CG1 3.58Å; F154-T256 HydrophobicContact CE2-CG2 4.45Å; F154-V273 HydrophobicContact CE1-CG1 4.21Å; F154-V273 HydrophobicContact CE2-CG1 4.42Å; F154-V273 HydrophobicContact CZ-CG1 3.57Å; F154-Y358 VanDerWaalsContact CA-OH 3.29Å; F154-Y358 WeakPolarHBondContact CA-OH 3.42Å; F154-Y358 HydrophobicContact CD1-CE2 4.25Å; F154-Y358 WeakPolarHBondContact O-CE1 3.43Å; F154-Y358 PolarHBondContact O-OH 3.35Å; F154-L361 HydrophobicContact CE1-CD2 3.86Å; F154-L361 HydrophobicContact CE1-CG 4.44Å; F154-F362 HydrophobicContact CB-CD2 3.73Å; F154-F362 HydrophobicContact CB-CE2 4.1Å; F154-L365 HydrophobicContact CB-CD1 4.36Å; F154-L365 HydrophobicContact CD1-CD1 3.9Å; F154-L365 HydrophobicContact CD2-CD1 3.58Å; F154-L365 HydrophobicContact CE1-CD1 4.01Å; F154-L365 HydrophobicContact CE2-CD1 3.7Å; F154-L365 HydrophobicContact CG-CD1 3.69Å; F154-L365 HydrophobicContact CZ-CD1 3.91Å
155G93.6Very high88Confident0 Ų024.2 Ų24.20%013%0.126CC..Hα-helixtrans-112-12.4-17300000115.8L151 R167 F168L151-G155 WeakPolarHBondContact O-CA 3.32Å; L151-G155 PolarHBondContact O-N 3.23Å; G155-R167 PolarHBondContact O-N 3.38Å; G155-F168 WeakPolarHBondContact O-CD1 3.44Å
156N92.5Very high88.2Confident1 Ų121.7 Ų21.71%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-113.8156.4-179.5-60.417.5000112.3E152 N164 S165 S166 F207 H208E152-N156 HydrophobicContact CB-CB 4.47Å; E152-N156 WeakPolarHBondContact O-CA 3.46Å; E152-N156 WeakPolarHBondContact O-CB 3.06Å; E152-N156 PolarHBondContact O-N 3.16Å; N156-N164 WeakPolarHBondContact CB-OD1 3.44Å; N156-N164 PolarHBondContact ND2-OD1 3.42Å; N156-S165 VanDerWaalsContact CA-O 3.27Å; N156-S165 WeakPolarHBondContact CA-O 3.13Å; N156-S165 WeakPolarHBondContact CB-O 3.22Å; N156-S166 VanDerWaalsContact OD1-CA 3.3Å; N156-S166 WeakPolarHBondContact OD1-CA 3.35Å; N156-F207 WeakPolarHBondContact O-CA 3.43Å; N156-H208 WeakPolarHBondContact CB-NE2 3.12Å; N156-H208 PolarHBondContact O-CD2 3.18Å; N156-H208 PolarHBondContact O-N 2.68Å; N156-H208 VanDerWaalsContact O-N 3.1Å
157A92.2Very high88.4Confident0 Ų018.9 Ų18.90%010%0.101CC..EExtended strand (participates in β ladder)trans-146.7164.3178.100000111.4T159 S165 R167 N206A157-T159 PolarHBondContact O-N 3.2Å; A157-S165 PolarHBondContact N-O 2.85Å; A157-S165 WeakPolarHBondContact O-CA 3.41Å; A157-S165 WeakPolarHBondContact O-CB 3.31Å; A157-S165 PolarHBondContact O-N 3.24Å; A157-R167 HydrophobicContact CB-CG 4.06Å; A157-N206 WeakPolarHBondContact CB-O 3.25Å
158K90.4Very high88.3Confident38 Ų3819 Ų1917%0.16510%0.101CC..  trans-78117169.9-174.8-135.5-175.7-176.70109.2N163 S203 E204 R205 H208 T241 V244K158-N163 WeakPolarHBondContact CA-O 3.48Å; K158-S203 WeakPolarHBondContact CD-O 3.46Å; K158-S203 WeakPolarHBondContact CE-O 3.27Å; K158-S203 PolarHBondContact NZ-O 2.99Å; K158-E204 CarbonylContact O-C 3.02Å; K158-E204 VanDerWaalsContact O-CA 3.32Å; K158-E204 WeakPolarHBondContact O-CA 3.49Å; K158-E204 VanDerWaalsContact O-CB 3.32Å; K158-E204 WeakPolarHBondContact O-CB 3.43Å; K158-R205 HydrophobicContact CB-CB 3.81Å; K158-R205 HydrophobicContact CB-CG 3.81Å; K158-R205 HydrophobicContact CD-CG 4.11Å; K158-R205 PolarHBondContact O-N 3.15Å; K158-H208 PolarHBondContact N-CE1 2.97Å; K158-T241 HydrophobicContact CD-CG2 3.83Å; K158-V244 HydrophobicContact CB-CG2 3.94Å; K158-V244 HydrophobicContact CD-CG2 3.86Å; K158-V244 HydrophobicContact CG-CG1 4.49Å; K158-V244 HydrophobicContact CG-CG2 3.83Å
159T84.2Confident88.1Confident1 Ų118.8 Ų18.81%0.00610%0.101CC..  trans-103.3168166.361.20000110.7A157 R161 N162 E204A157-T159 PolarHBondContact O-N 3.2Å; T159-R161 PolarHBondContact O-N 2.61Å; T159-N162 PolarHBondContact N-O 3.01Å; T159-N162 PolarHBondContact O-N 3.32Å; T159-N162 PolarHBondContact OG1-N 3.1Å; T159-N162 PolarHBondContact OG1-O 3.36Å; T159-E204 WeakPolarHBondContact CA-OE1 3.43Å; T159-E204 WeakPolarHBondContact CB-OE1 3.11Å; T159-E204 WeakPolarHBondContact CG2-OE1 3.22Å
160V79.7Confident87.8Confident95 Ų9517.4 Ų17.458%0.5769%0.091SC*.SBendtrans-53-41.4173.6-176.70000111.1E204V160-E204 HydrophobicContact CG2-CG 4.06Å; V160-E204 PolarHBondContact N-OE1 3.34Å; V160-E204 VanDerWaalsContact N-OE1 3.15Å
161R72.8Confident87.5Confident50 Ų5017.5 Ų17.519%0.1899%0.092CC..SBendtrans-81.6-28.1-177.1-72.8-169.7172145.311.3115.1T159 I392 K586 K591T159-R161 PolarHBondContact O-N 2.61Å; R161-I392 VanDerWaalsContact CZ-O 3.23Å; R161-I392 PolarHBondContact NH1-O 3.45Å; R161-I392 PolarHBondContact NH2-O 3.17Å; R161-K586 PolarHBondContact O-NZ 2.7Å; R161-K591 WeakPolarHBondContact O-CE 3.24Å
162N78.5Confident87.2Confident37 Ų3717.6 Ų17.620%0.1989%0.092CC..  trans-150.2125.7-172.3178.615.6000112.1T159 N164 S165T159-N162 PolarHBondContact N-O 3.01Å; T159-N162 PolarHBondContact O-N 3.32Å; T159-N162 PolarHBondContact OG1-N 3.1Å; T159-N162 PolarHBondContact OG1-O 3.36Å; N162-N164 VanDerWaalsContact C-N 3.31Å; N162-N164 PolarHBondContact ND2-O 2.98Å; N162-N164 PolarHBondContact O-N 2.8Å; N162-N164 PolarHBondContact OD1-N 2.8Å; N162-N164 VanDerWaalsContact OD1-N 3.15Å; N162-N164 PolarHBondContact OD1-O 3.3Å; N162-S165 WeakPolarHBondContact ND2-CA 3.36Å
163N85.1Confident87.1Confident37 Ų3717.2 Ų17.220%0.1989%0.09CC..SBendtrans-67.3-30.2-177-66.128.5000112.7K158 H208 V244 D245 K591K158-N163 WeakPolarHBondContact CA-O 3.48Å; N163-H208 PolarHBondContact O-CE1 3.37Å; N163-H208 PolarHBondContact O-NE2 3.23Å; N163-V244 HydrophobicContact CB-CG1 3.72Å; N163-V244 WeakPolarHBondContact ND2-CG1 3.44Å; N163-D245 PolarHBondContact ND2-O 3.28Å; N163-K591 PolarHBondContact OD1-NZ 3.31Å
164N86.8Confident86.8Confident65 Ų6517.6 Ų17.635%0.3489%0.092SC..SBendtrans-12679.2174.8-177.611.8000109E152 N156 N162 H208E152-N164 PolarHBondContact OE2-ND2 2.94Å; N156-N164 WeakPolarHBondContact CB-OD1 3.44Å; N156-N164 PolarHBondContact ND2-OD1 3.42Å; N162-N164 VanDerWaalsContact C-N 3.31Å; N162-N164 PolarHBondContact ND2-O 2.98Å; N162-N164 PolarHBondContact O-N 2.8Å; N162-N164 PolarHBondContact OD1-N 2.8Å; N162-N164 VanDerWaalsContact OD1-N 3.15Å; N162-N164 PolarHBondContact OD1-O 3.3Å; N164-H208 WeakPolarHBondContact CA-NE2 3.34Å; N164-H208 WeakPolarHBondContact CB-NE2 3.44Å; N164-H208 PolarHBondContact OD1-NE2 2.87Å
165S84.8Confident86.4Confident2 Ų218 Ų181%0.0149%0.094CC..EExtended strand (participates in β ladder)trans-102117.4-174.5-162.60000111.8S112 N156 A157 N162 R167S112-S165 PolarHBondContact OG-OG 3.48Å; N156-S165 VanDerWaalsContact CA-O 3.27Å; N156-S165 WeakPolarHBondContact CA-O 3.13Å; N156-S165 WeakPolarHBondContact CB-O 3.22Å; A157-S165 PolarHBondContact N-O 2.85Å; A157-S165 WeakPolarHBondContact O-CA 3.41Å; A157-S165 WeakPolarHBondContact O-CB 3.31Å; A157-S165 PolarHBondContact O-N 3.24Å; N162-S165 WeakPolarHBondContact ND2-CA 3.36Å; S165-R167 WeakPolarHBondContact O-CD 3.27Å; S165-R167 PolarHBondContact O-N 3.19Å
166S86.1Confident86.2Confident12 Ų1218 Ų188%0.0849%0.094CC..EExtended strand (participates in β ladder)trans-54.7124.1169.4-340000110.5N156N156-S166 VanDerWaalsContact OD1-CA 3.3Å; N156-S166 WeakPolarHBondContact OD1-CA 3.35Å
167R87.8Confident86Confident2 Ų219 Ų191%0.00810%0.101CC..SBendtrans-109.324.9173.8-49.6-50.4-58.3159.5-9.2111.8G155 A157 S165 L192 E193 F207 E391G155-R167 PolarHBondContact O-N 3.38Å; A157-R167 HydrophobicContact CB-CG 4.06Å; S165-R167 WeakPolarHBondContact O-CD 3.27Å; S165-R167 PolarHBondContact O-N 3.19Å; R167-L192 CarbonylContact O-C 3.57Å; R167-L192 WeakPolarHBondContact O-CA 3.5Å; R167-E193 HydrophobicContact CB-CB 3.84Å; R167-E193 IonicContact CZ-OE1 3.81Å; R167-E193 IonicContact CZ-OE2 3.36Å; R167-E193 IonicContact NE-OE1 3.31Å; R167-E193 PolarHBondContact NE-OE1 3.39Å; R167-E193 IonicContact NE-OE2 3.87Å; R167-E193 PolarHBondContact NE-OE2 3.33Å; R167-E193 IonicContact NH2-OE1 3.11Å; R167-E193 PolarHBondContact NH2-OE1 2.92Å; R167-E193 IonicContact NH2-OE2 2.62Å; R167-E193 PolarHBondContact O-N 2.42Å; R167-F207 HydrophobicContact CB-CE1 3.99Å; R167-F207 HydrophobicContact CB-CZ 4.37Å; R167-F207 HydrophobicContact CG-CE1 4.34Å; R167-E391 IonicContact CZ-OE1 3.62Å; R167-E391 IonicContact CZ-OE2 2.8Å; R167-E391 IonicContact NH1-OE1 3.89Å; R167-E391 PolarHBondContact NH1-OE1 3.34Å; R167-E391 IonicContact NH1-OE2 2.83Å; R167-E391 IonicContact NH2-OE1 2.67Å; R167-E391 IonicContact NH2-OE2 2.74Å; R167-E391 PolarHBondContact NH2-OE2 3.17Å
168F86.3Confident85.6Confident2 Ų228.2 Ų28.21%0.00914%0.136CC..SBendtrans-149.7162.6171.874.6-67.6000108.4L151 G155 K170 N189 F190 L192 F362L151-F168 HydrophobicContact CB-CZ 4.02Å; L151-F168 WeakPolarHBondContact O-CE1 3.32Å; G155-F168 WeakPolarHBondContact O-CD1 3.44Å; F168-K170 HydrophobicContact CD2-CB 4.35Å; F168-K170 HydrophobicContact CE2-CB 3.72Å; F168-K170 HydrophobicContact CE2-CD 4.13Å; F168-K170 HydrophobicContact CE2-CG 4.35Å; F168-K170 HydrophobicContact CZ-CB 4.35Å; F168-K170 HydrophobicContact CZ-CD 3.89Å; F168-N189 HydrophobicContact CD2-CB 4.37Å; F168-F190 WeakPolarHBondContact CA-O 3.38Å; F168-F190 WeakPolarHBondContact CB-O 3.48Å; F168-L192 HydrophobicContact CB-CB 4.39Å; F168-L192 HydrophobicContact CB-CD1 4.14Å; F168-F362 HydrophobicContact CB-CE1 4.47Å; F168-F362 HydrophobicContact CD1-CZ 4.09Å; F168-F362 AromaticContact CD2-CE1 3.93Å; F168-F362 HydrophobicContact CD2-CE1 3.93Å; F168-F362 AromaticContact CD2-CZ 3.63Å; F168-F362 HydrophobicContact CD2-CZ 3.63Å; F168-F362 HydrophobicContact CE1-CZ 4.16Å; F168-F362 HydrophobicContact CE2-CE1 4.34Å; F168-F362 AromaticContact CE2-CZ 3.67Å; F168-F362 HydrophobicContact CE2-CZ 3.67Å; F168-F362 HydrophobicContact CG-CE1 4.17Å; F168-F362 AromaticContact CG-CZ 3.85Å; F168-F362 HydrophobicContact CG-CZ 3.85Å; F168-F362 AromaticContact CZ-CZ 3.96Å; F168-F362 HydrophobicContact CZ-CZ 3.96Å
169G83.1Confident85.2Confident1 Ų129.1 Ų29.11%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-98.6141.4167.300000111.2F190G169-F190 PolarHBondContact N-O 3.32Å; G169-F190 PolarHBondContact O-N 2.8Å
170K86Confident85.2Confident2 Ų229.1 Ų29.11%0.00916%0.157CC..EExtended strand (participates in β ladder)trans-125.2128.2177.458.1-169.8-176.6172.10111.9N148 E152 F168 F172 D386N148-K170 PolarHBondContact OD1-NZ 3.24Å; E152-K170 IonicContact OE1-NZ 2.65Å; F168-K170 HydrophobicContact CD2-CB 4.35Å; F168-K170 HydrophobicContact CE2-CB 3.72Å; F168-K170 HydrophobicContact CE2-CD 4.13Å; F168-K170 HydrophobicContact CE2-CG 4.35Å; F168-K170 HydrophobicContact CZ-CB 4.35Å; F168-K170 HydrophobicContact CZ-CD 3.89Å; K170-F172 HydrophobicContact CB-CE2 4.25Å; K170-F172 HydrophobicContact CD-CE2 3.48Å; K170-F172 VanDerWaalsContact CD-CE2 3.48Å; K170-F172 HydrophobicContact CD-CZ 3.81Å; K170-F172 HydrophobicContact CG-CD2 4.36Å; K170-F172 HydrophobicContact CG-CE2 3.73Å; K170-F172 HydrophobicContact CG-CZ 4.44Å; K170-D386 WeakPolarHBondContact CE-OD2 3.46Å; K170-D386 HydrophobicContact CG-CB 4.01Å; K170-D386 WeakPolarHBondContact CG-O 3.47Å; K170-D386 PolarHBondContact N-O 2.88Å; K170-D386 PolarHBondContact O-N 2.92Å
171Y88Confident85.5Confident1 Ų128.7 Ų28.70%0.00415%0.148CC..EExtended strand (participates in β ladder)trans-112.4110.5168.8-175.7-121.8000108.5E173 I187 S188 L385 L570 T573 L574Y171-E173 HydrophobicContact CD1-CG 3.7Å; Y171-E173 HydrophobicContact CE1-CG 3.27Å; Y171-I187 WeakPolarHBondContact O-CA 3.34Å; Y171-S188 PolarHBondContact N-O 2.65Å; Y171-S188 PolarHBondContact O-N 2.93Å; Y171-L385 HydrophobicContact CD2-CB 3.87Å; Y171-L385 HydrophobicContact CD2-CD1 3.99Å; Y171-L385 HydrophobicContact CE2-CB 4.41Å; Y171-L385 HydrophobicContact CG-CD1 4.33Å; Y171-L570 HydrophobicContact CG-CD1 4.46Å; Y171-T573 HydrophobicContact CD1-CG2 4.44Å; Y171-T573 HydrophobicContact CE1-CG2 3.61Å; Y171-L574 HydrophobicContact CE2-CD2 3.9Å
172F88.2Confident86.2Confident3 Ų326.4 Ų26.41%0.01314%0.14CC..EExtended strand (participates in β ladder)trans-90.2134.9171.4-63.7-91.3000109M124 K170 I187 G383 V384M124-F172 HydrophobicContact CE-CD2 4.2Å; M124-F172 HydrophobicContact CE-CE2 4.04Å; M124-F172 HydrophobicContact CE-CZ 4.44Å; M124-F172 HydrophobicContact SD-CB 4.44Å; M124-F172 HydrophobicContact SD-CD1 4.3Å; M124-F172 HydrophobicContact SD-CD2 4.13Å; M124-F172 HydrophobicContact SD-CE2 4.4Å; M124-F172 HydrophobicContact SD-CG 4.07Å; K170-F172 HydrophobicContact CB-CE2 4.25Å; K170-F172 HydrophobicContact CD-CE2 3.48Å; K170-F172 VanDerWaalsContact CD-CE2 3.48Å; K170-F172 HydrophobicContact CD-CZ 3.81Å; K170-F172 HydrophobicContact CG-CD2 4.36Å; K170-F172 HydrophobicContact CG-CE2 3.73Å; K170-F172 HydrophobicContact CG-CZ 4.44Å; F172-I187 HydrophobicContact CD1-CD1 3.82Å; F172-I187 HydrophobicContact CD1-CG1 3.76Å; F172-I187 HydrophobicContact CE1-CD1 3.59Å; F172-I187 HydrophobicContact CE1-CG1 4.06Å; F172-G383 CarbonylContact O-C 3.56Å; F172-G383 VanDerWaalsContact O-CA 3.26Å; F172-G383 WeakPolarHBondContact O-CA 3.35Å; F172-V384 HydrophobicContact CB-CB 4.47Å; F172-V384 PolarHBondContact N-O 3.18Å; F172-V384 PolarHBondContact O-N 2.83Å
173E89.3Confident86.6Confident12 Ų1226.1 Ų26.16%0.05614%0.138CC..EExtended strand (participates in β ladder)trans-117.5109.9169.4-59.9-177.9-92.700107.6Y171 G185 K186Y171-E173 HydrophobicContact CD1-CG 3.7Å; Y171-E173 HydrophobicContact CE1-CG 3.27Å; E173-G185 CarbonylContact O-C 3.59Å; E173-G185 WeakPolarHBondContact O-CA 3.13Å; E173-K186 HydrophobicContact CB-CB 4.26Å; E173-K186 PolarHBondContact N-O 3.05Å; E173-K186 PolarHBondContact O-N 3.41Å; E173-K186 WeakPolarHBondContact OE1-CE 3.29Å; E173-K186 IonicContact OE1-NZ 3.58Å; E173-K186 PolarHBondContact OE1-NZ 2.88Å
174I89.4Confident86.8Confident9 Ų924.3 Ų24.35%0.04613%0.129CC..EExtended strand (participates in β ladder)trans-81123.7168.6-53.2177000106.3M124 I127 I144 F176 P182 S381 I382M124-I174 HydrophobicContact CG-CD1 4.35Å; I127-I174 HydrophobicContact CB-CD1 4.44Å; I127-I174 HydrophobicContact CD1-CD1 4.49Å; I127-I174 HydrophobicContact CG2-CD1 3.88Å; I144-I174 HydrophobicContact CD1-CG1 4.43Å; I174-F176 HydrophobicContact CB-CE2 3.82Å; I174-F176 HydrophobicContact CB-CZ 3.99Å; I174-F176 HydrophobicContact CG2-CD2 4.42Å; I174-F176 HydrophobicContact CG2-CE1 4.09Å; I174-F176 HydrophobicContact CG2-CE2 3.65Å; I174-F176 HydrophobicContact CG2-CZ 3.47Å; I174-F176 VanDerWaalsContact CG2-CZ 3.47Å; I174-F176 WeakPolarHBondContact O-CD2 3.43Å; I174-F176 VanDerWaalsContact O-CE2 3.27Å; I174-F176 WeakPolarHBondContact O-CE2 3.47Å; I174-P182 HydrophobicContact CG2-CB 3.58Å; I174-S381 CarbonylContact O-C 3.57Å; I174-S381 VanDerWaalsContact O-CA 3.22Å; I174-S381 WeakPolarHBondContact O-CA 3.13Å; I174-I382 PolarHBondContact N-O 2.84Å; I174-I382 PolarHBondContact O-N 3.49Å
175Q90.6Very high86.9Confident7 Ų721.4 Ų21.43%0.03311%0.114CC..EExtended strand (participates in β ladder)trans-104.2134.9-179-66.3-178.3-10.900110.5P182 D183 G184 K375 E378 F380Q175-P182 CarbonylContact O-C 3.51Å; Q175-P182 VanDerWaalsContact O-CA 3.27Å; Q175-P182 WeakPolarHBondContact O-CA 3.48Å; Q175-D183 PolarHBondContact O-N 3.24Å; Q175-D183 VanDerWaalsContact O-N 3.09Å; Q175-G184 PolarHBondContact N-O 3.09Å; Q175-G184 PolarHBondContact O-N 3.34Å; Q175-G184 VanDerWaalsContact O-O 3.14Å; Q175-K375 HydrophobicContact CB-CD 4.29Å; Q175-K375 VanDerWaalsContact OE1-CB 3.23Å; Q175-E378 PolarHBondContact NE2-OE1 3.36Å; Q175-E378 VanDerWaalsContact NE2-OE1 3.14Å; Q175-F380 WeakPolarHBondContact CA-O 3.48Å
176F89.2Confident87.1Confident0 Ų024.6 Ų24.60%013%0.128CC..EExtended strand (participates in β ladder)trans-116.6151.5-172.6-60.4-94.1000112Y94 M97 I127 I174 G180 E181 P182 K375 F380 I382Y94-F176 HydrophobicContact CD2-CE1 4.29Å; Y94-F176 HydrophobicContact CE2-CD1 4.36Å; Y94-F176 HydrophobicContact CE2-CE1 4.02Å; M97-F176 HydrophobicContact CE-CB 4.03Å; M97-F176 HydrophobicContact CE-CD1 3.89Å; M97-F176 HydrophobicContact CE-CD2 3.69Å; M97-F176 HydrophobicContact CE-CE1 4.24Å; M97-F176 HydrophobicContact CE-CE2 4.08Å; M97-F176 HydrophobicContact CE-CG 3.59Å; M97-F176 HydrophobicContact CE-CZ 4.33Å; M97-F176 HydrophobicContact SD-CB 4.3Å; M97-F176 HydrophobicContact SD-CD2 3.44Å; M97-F176 WeakPolarHBondContact SD-CD2 3.38Å; M97-F176 HydrophobicContact SD-CE2 3.88Å; M97-F176 HydrophobicContact SD-CG 3.92Å; I127-F176 HydrophobicContact CG2-CE1 4.08Å; I127-F176 HydrophobicContact CG2-CZ 3.64Å; I174-F176 HydrophobicContact CB-CE2 3.82Å; I174-F176 HydrophobicContact CB-CZ 3.99Å; I174-F176 HydrophobicContact CG2-CD2 4.42Å; I174-F176 HydrophobicContact CG2-CE1 4.09Å; I174-F176 HydrophobicContact CG2-CE2 3.65Å; I174-F176 HydrophobicContact CG2-CZ 3.47Å; I174-F176 VanDerWaalsContact CG2-CZ 3.47Å; I174-F176 WeakPolarHBondContact O-CD2 3.43Å; I174-F176 VanDerWaalsContact O-CE2 3.27Å; I174-F176 WeakPolarHBondContact O-CE2 3.47Å; F176-G180 VanDerWaalsContact CD1-O 3.29Å; F176-G180 WeakPolarHBondContact CD1-O 3.2Å; F176-E181 WeakPolarHBondContact CA-O 3.38Å; F176-P182 HydrophobicContact CD1-CB 3.84Å; F176-P182 HydrophobicContact CD1-CG 4.45Å; F176-P182 HydrophobicContact CE1-CB 3.75Å; F176-P182 HydrophobicContact CE1-CG 4.17Å; F176-P182 HydrophobicContact CZ-CB 4.4Å; F176-K375 VanDerWaalsContact C-NZ 3.32Å; F176-K375 PolarHBondContact O-NZ 3.42Å; F176-F380 HydrophobicContact CB-CB 4.44Å; F176-F380 PolarHBondContact N-O 2.61Å; F176-I382 HydrophobicContact CD2-CG1 4.42Å; F176-I382 HydrophobicContact CE2-CB 3.84Å; F176-I382 HydrophobicContact CE2-CD1 3.77Å; F176-I382 HydrophobicContact CE2-CG1 3.61Å; F176-I382 HydrophobicContact CZ-CB 4.44Å; F176-I382 HydrophobicContact CZ-CD1 3.82Å; F176-I382 HydrophobicContact CZ-CG1 4.18Å
177S87.1Confident87.3Confident23 Ų2324.2 Ų24.216%0.16113%0.125CC..  trans-76162.8161.265.70000110.6G179 G180 E181 D183S177-G179 PolarHBondContact O-N 2.75Å; S177-G179 PolarHBondContact OG-N 3.13Å; S177-G180 PolarHBondContact O-N 3.03Å; S177-E181 PolarHBondContact N-O 3.22Å; S177-E181 PolarHBondContact OG-N 3.14Å; S177-E181 PolarHBondContact OG-O 3.23Å; S177-E181 VanDerWaalsContact OG-O 3.05Å; S177-D183 PolarHBondContact N-OD1 3.35Å
178R84.3Confident87.2Confident193 Ų19325.6 Ų25.673%0.72814%0.135SC*.THydrogen-bonded Turntrans-57.5-13.7170.2-54.3-176.9-163.7-144.7-11.1114.8E379 F380R178-E379 IonicContact CZ-OE1 3.95Å; R178-E379 VanDerWaalsContact CZ-OE1 3.26Å; R178-E379 PolarHBondContact N-OE2 2.57Å; R178-E379 IonicContact NE-OE1 3.71Å; R178-E379 PolarHBondContact NE-OE1 2.98Å; R178-E379 IonicContact NH2-OE1 3.63Å; R178-E379 PolarHBondContact NH2-OE1 3.03Å; R178-F380 HydrophobicContact CG-CE2 4.37Å
179G82.9Confident87.2Confident58 Ų5826.9 Ų26.960%0.59814%0.142SC*.THydrogen-bonded Turntrans-82.6-13.1174.700000114.2S177S177-G179 PolarHBondContact O-N 2.75Å; S177-G179 PolarHBondContact OG-N 3.13Å
180G84.2Confident86.9Confident1 Ų127.9 Ų27.91%0.0115%0.146CC..SBendtrans91.3-2.7-173.400000114.5Y94 M98 S131 F176 S177Y94-G180 PolarHBondContact OH-O 2.82Å; Y94-G180 VanDerWaalsContact OH-O 3.09Å; M98-G180 WeakPolarHBondContact SD-CA 3.28Å; S131-G180 WeakPolarHBondContact CB-O 3.31Å; F176-G180 VanDerWaalsContact CD1-O 3.29Å; F176-G180 WeakPolarHBondContact CD1-O 3.2Å; S177-G180 PolarHBondContact O-N 3.03Å
181E86.2Confident86.4Confident85 Ų8529.1 Ų29.140%0.39715%0.152SC..  trans-78.2131.2173.5-55.9-172.3173.300110.6G133 V137 F176 S177 D183G133-E181 VanDerWaalsContact CA-CD 3.48Å; V137-E181 HydrophobicContact CG2-CB 4.05Å; F176-E181 WeakPolarHBondContact CA-O 3.38Å; S177-E181 PolarHBondContact N-O 3.22Å; S177-E181 PolarHBondContact OG-N 3.14Å; S177-E181 PolarHBondContact OG-O 3.23Å; S177-E181 VanDerWaalsContact OG-O 3.05Å; E181-D183 PolarHBondContact O-N 2.9Å
182P86.5Confident86.3Confident2 Ų230.5 Ų30.51%0.01316%0.159CC..EExtended strand (participates in β ladder)trans-78.5105.7176.329.2-33000110.7S131 V137 K141 I174 Q175 F176S131-P182 WeakPolarHBondContact OG-CD 3.5Å; V137-P182 HydrophobicContact CG1-CG 3.91Å; V137-P182 WeakPolarHBondContact CG1-O 3.38Å; K141-P182 HydrophobicContact CD-CG 4.47Å; K141-P182 HydrophobicContact CG-CG 4.27Å; I174-P182 HydrophobicContact CG2-CB 3.58Å; Q175-P182 CarbonylContact O-C 3.51Å; Q175-P182 VanDerWaalsContact O-CA 3.27Å; Q175-P182 WeakPolarHBondContact O-CA 3.48Å; F176-P182 HydrophobicContact CD1-CB 3.84Å; F176-P182 HydrophobicContact CD1-CG 4.45Å; F176-P182 HydrophobicContact CE1-CB 3.75Å; F176-P182 HydrophobicContact CE1-CG 4.17Å; F176-P182 HydrophobicContact CZ-CB 4.4Å
183D85.9Confident86.1Confident31 Ų3131.2 Ų31.217%0.16616%0.163CC..EExtended strand (participates in β ladder)trans-108.86.6-172.166.6-36.7000114K136 Q175 S177 E181 K375K136-D183 PolarHBondContact NZ-O 2.99Å; Q175-D183 PolarHBondContact O-N 3.24Å; Q175-D183 VanDerWaalsContact O-N 3.09Å; S177-D183 PolarHBondContact N-OD1 3.35Å; E181-D183 PolarHBondContact O-N 2.9Å; D183-K375 WeakPolarHBondContact OD1-CD 3.35Å; D183-K375 WeakPolarHBondContact OD1-CE 3.49Å; D183-K375 IonicContact OD1-NZ 3.01Å; D183-K375 PolarHBondContact OD1-NZ 2.66Å; D183-K375 WeakPolarHBondContact OD2-CE 3.23Å; D183-K375 IonicContact OD2-NZ 3.18Å; D183-K375 PolarHBondContact OD2-NZ 3.45Å
184G89.4Confident85.9Confident0 Ų033 Ų330%017%0.171CC..EExtended strand (participates in β ladder)trans-172.8-167167.200000112.8Q175 I373Q175-G184 PolarHBondContact N-O 3.09Å; Q175-G184 PolarHBondContact O-N 3.34Å; Q175-G184 VanDerWaalsContact O-O 3.14Å; G184-I373 CarbonylContact C-O 3.56Å; G184-I373 WeakPolarHBondContact CA-O 3.49Å
185G89.6Confident85.6Confident4 Ų434.1 Ų34.14%0.04118%0.179CC..EExtended strand (participates in β ladder)trans-171.7-173.7175.600000113.2E173 I373E173-G185 CarbonylContact O-C 3.59Å; E173-G185 WeakPolarHBondContact O-CA 3.13Å; G185-I373 VanDerWaalsContact C-CD1 3.49Å; G185-I373 PolarHBondContact N-O 3.07Å; G185-I373 WeakPolarHBondContact O-CG1 3.29Å
186K89.9Confident85.6Confident68 Ų6834.1 Ų34.130%0.29618%0.179SC..EExtended strand (participates in β ladder)trans-157145.4177.4170.1157.6144.1-102.40110.7E173 N370 E378E173-K186 HydrophobicContact CB-CB 4.26Å; E173-K186 PolarHBondContact N-O 3.05Å; E173-K186 PolarHBondContact O-N 3.41Å; E173-K186 WeakPolarHBondContact OE1-CE 3.29Å; E173-K186 IonicContact OE1-NZ 3.58Å; E173-K186 PolarHBondContact OE1-NZ 2.88Å; K186-N370 WeakPolarHBondContact CA-OD1 3.47Å; K186-E378 IonicContact NZ-OE1 3.54Å
187I89.6Confident85.8Confident5 Ų534.1 Ų34.13%0.02618%0.179CC..EExtended strand (participates in β ladder)trans-122.5122.5174.5-55.4-175.8000108.2L151 Y171 F172 V366 I369 N370 I373L151-I187 HydrophobicContact CD1-CD1 4.05Å; L151-I187 HydrophobicContact CD1-CG2 4.42Å; Y171-I187 WeakPolarHBondContact O-CA 3.34Å; F172-I187 HydrophobicContact CD1-CD1 3.82Å; F172-I187 HydrophobicContact CD1-CG1 3.76Å; F172-I187 HydrophobicContact CE1-CD1 3.59Å; F172-I187 HydrophobicContact CE1-CG1 4.06Å; I187-V366 HydrophobicContact CG2-CG1 4.36Å; I187-I369 HydrophobicContact CD1-CB 4.28Å; I187-I369 HydrophobicContact CD1-CD1 4.43Å; I187-I369 HydrophobicContact CD1-CG2 3.47Å; I187-I369 VanDerWaalsContact CD1-CG2 3.47Å; I187-I369 HydrophobicContact CG1-CG2 4.36Å; I187-N370 PolarHBondContact N-OD1 3.32Å; I187-N370 PolarHBondContact O-ND2 3.47Å; I187-N370 PolarHBondContact O-OD1 2.85Å; I187-I373 HydrophobicContact CG1-CD1 4.35Å
188S85.8Confident86Confident30 Ų3033.3 Ų33.321%0.2117%0.173CC..EExtended strand (participates in β ladder)trans-105.1118.4168.2-55.40000109.4Y171 F190Y171-S188 PolarHBondContact N-O 2.65Å; Y171-S188 PolarHBondContact O-N 2.93Å; S188-F190 VanDerWaalsContact CB-CZ 3.49Å
189N85.8Confident86.1Confident29 Ų2927 Ų2716%0.15516%0.159CC..EExtended strand (participates in β ladder)trans-92.4144.3172.968.6-37.1000110.8F168 F362 D363 V366F168-N189 HydrophobicContact CD2-CB 4.37Å; N189-F362 HydrophobicContact CB-CE1 4.14Å; N189-D363 PolarHBondContact ND2-OD1 2.45Å; N189-V366 HydrophobicContact CB-CG1 4.22Å; N189-V366 HydrophobicContact CB-CG2 3.94Å
190F76.8Confident86.3Confident22 Ų2225 Ų2510%0.09613%0.134CC..EExtended strand (participates in β ladder)trans-137.2137.5-177.3-59.4-70000109.5F168 G169 S188 L192 Q566 L570F168-F190 WeakPolarHBondContact CA-O 3.38Å; F168-F190 WeakPolarHBondContact CB-O 3.48Å; G169-F190 PolarHBondContact N-O 3.32Å; G169-F190 PolarHBondContact O-N 2.8Å; S188-F190 VanDerWaalsContact CB-CZ 3.49Å; F190-L192 PolarHBondContact O-N 3.43Å; F190-Q566 HydrophobicContact CD1-CB 4.03Å; F190-Q566 HydrophobicContact CD1-CG 4.36Å; F190-L570 HydrophobicContact CE1-CB 4.4Å; F190-L570 HydrophobicContact CE2-CD1 3.96Å; F190-L570 HydrophobicContact CE2-CD2 4.42Å; F190-L570 HydrophobicContact CZ-CB 4.14Å; F190-L570 HydrophobicContact CZ-CD1 4.15Å
191L75.2Confident86.2Confident29 Ų2929 Ų2915%0.15216%0.155CC..  trans61.848.8153.6-49.5166.3000114.5Y388 V406 I563L191-Y388 HydrophobicContact CB-CE1 3.99Å; L191-Y388 WeakPolarHBondContact CB-OH 3.4Å; L191-Y388 WeakPolarHBondContact CD1-OH 3.07Å; L191-V406 HydrophobicContact CD1-CB 4.22Å; L191-V406 HydrophobicContact CD1-CG1 4.08Å; L191-V406 HydrophobicContact CD1-CG2 3.69Å; L191-I563 HydrophobicContact CD2-CB 3.85Å; L191-I563 HydrophobicContact CD2-CD1 4.49Å; L191-I563 HydrophobicContact CD2-CG1 3.53Å; L191-I563 HydrophobicContact CD2-CG2 3.7Å
192L85.9Confident86Confident29 Ų2933 Ų3315%0.15217%0.173CC..  trans-63.9128.5171.4-177.971.5000111.3R167 F168 F190 K194 F207 Y358 F362R167-L192 CarbonylContact O-C 3.57Å; R167-L192 WeakPolarHBondContact O-CA 3.5Å; F168-L192 HydrophobicContact CB-CB 4.39Å; F168-L192 HydrophobicContact CB-CD1 4.14Å; F190-L192 PolarHBondContact O-N 3.43Å; L192-K194 VanDerWaalsContact C-N 3.28Å; L192-K194 PolarHBondContact O-N 2.94Å; L192-F207 HydrophobicContact CD1-CE1 3.87Å; L192-F207 HydrophobicContact CD1-CZ 3.83Å; L192-F207 HydrophobicContact CG-CZ 4.41Å; L192-Y358 HydrophobicContact CD2-CD1 4.21Å; L192-Y358 HydrophobicContact CD2-CE1 4.39Å; L192-F362 HydrophobicContact CB-CD1 4.48Å; L192-F362 HydrophobicContact CD1-CD1 4.22Å; L192-F362 HydrophobicContact CD1-CE1 4.14Å; L192-F362 HydrophobicContact CD1-CZ 4.43Å; L192-F362 HydrophobicContact CD2-CB 3.99Å; L192-F362 HydrophobicContact CD2-CD1 3.79Å; L192-F362 HydrophobicContact CD2-CE1 4.48Å; L192-F362 HydrophobicContact CD2-CG 3.99Å; L192-F362 HydrophobicContact CG-CD1 4.39Å
193E84.6Confident86Confident19 Ų1936.1 Ų36.19%0.08920%0.195CC..  trans-71.574176.7-168.3-178.7-121.900112R167 S195 R196 E399R167-E193 HydrophobicContact CB-CB 3.84Å; R167-E193 IonicContact CZ-OE1 3.81Å; R167-E193 IonicContact CZ-OE2 3.36Å; R167-E193 IonicContact NE-OE1 3.31Å; R167-E193 PolarHBondContact NE-OE1 3.39Å; R167-E193 IonicContact NE-OE2 3.87Å; R167-E193 PolarHBondContact NE-OE2 3.33Å; R167-E193 IonicContact NH2-OE1 3.11Å; R167-E193 PolarHBondContact NH2-OE1 2.92Å; R167-E193 IonicContact NH2-OE2 2.62Å; R167-E193 PolarHBondContact O-N 2.42Å; E193-S195 PolarHBondContact O-N 3.11Å; E193-S195 VanDerWaalsContact O-N 3.14Å; E193-R196 HydrophobicContact CG-CB 4.32Å; E193-R196 WeakPolarHBondContact O-CB 3.34Å; E193-R196 PolarHBondContact O-N 3.15Å; E193-R196 VanDerWaalsContact O-N 3.17Å; E193-R196 IonicContact OE1-NH2 2.74Å; E193-R196 IonicContact OE2-CZ 3.25Å; E193-R196 VanDerWaalsContact OE2-CZ 3.29Å; E193-R196 IonicContact OE2-NE 2.76Å; E193-R196 PolarHBondContact OE2-NE 2.91Å; E193-R196 IonicContact OE2-NH2 3.73Å; E193-R196 PolarHBondContact OE2-NH2 2.78Å; E193-E399 HydrophobicContact CG-CG 4.29Å
194K86.2Confident86.1Confident50 Ų5034.8 Ų34.822%0.21719%0.188CC..G310 helixtrans-54.8-33.2-177.2-56.6-170.6-162.1171.90113.9L192 R196 V197 K355 A359 D522L192-K194 VanDerWaalsContact C-N 3.28Å; L192-K194 PolarHBondContact O-N 2.94Å; K194-R196 PolarHBondContact O-N 3.1Å; K194-V197 VanDerWaalsContact O-CB 3.25Å; K194-V197 WeakPolarHBondContact O-CB 3.33Å; K194-V197 VanDerWaalsContact O-CG2 3.22Å; K194-V197 WeakPolarHBondContact O-CG2 3.21Å; K194-V197 PolarHBondContact O-N 3.45Å; K194-V197 VanDerWaalsContact O-N 3.16Å; K194-K355 HydrophobicContact CB-CB 4.33Å; K194-K355 HydrophobicContact CB-CG 4.42Å; K194-A359 HydrophobicContact CD-CB 4.08Å; K194-A359 HydrophobicContact CG-CB 4.27Å; K194-D522 IonicContact NZ-OD1 2.7Å; K194-D522 PolarHBondContact NZ-OD1 3.04Å; K194-D522 IonicContact NZ-OD2 3.66Å; K194-D522 PolarHBondContact NZ-OD2 3.25Å
195S82.5Confident86.3Confident32 Ų3234.8 Ų34.822%0.22419%0.188CC..G310 helixtrans-61.8-29.7-177.438.10000112.8E193 V197 V198 S199 E399E193-S195 PolarHBondContact O-N 3.11Å; E193-S195 VanDerWaalsContact O-N 3.14Å; S195-V197 PolarHBondContact O-N 2.86Å; S195-V197 VanDerWaalsContact O-N 3.15Å; S195-V198 WeakPolarHBondContact O-CG2 3.49Å; S195-V198 PolarHBondContact O-N 2.97Å; S195-V198 VanDerWaalsContact O-N 3.11Å; S195-S199 PolarHBondContact O-N 3.31Å; S195-S199 VanDerWaalsContact O-N 3.12Å; S195-E399 WeakPolarHBondContact CB-OE1 3.37Å; S195-E399 WeakPolarHBondContact OG-CG 3.43Å; S195-E399 PolarHBondContact OG-OE1 3.16Å
196R89.9Confident86.6Confident6 Ų634.6 Ų34.62%0.02319%0.186CC..G310 helixtrans-57.9-28.7176.1-175.3166.9-59.9-87.4-11113.6E193 K194 V198 S199 Q200 E204 R205 N206 F207E193-R196 HydrophobicContact CG-CB 4.32Å; E193-R196 WeakPolarHBondContact O-CB 3.34Å; E193-R196 PolarHBondContact O-N 3.15Å; E193-R196 VanDerWaalsContact O-N 3.17Å; E193-R196 IonicContact OE1-NH2 2.74Å; E193-R196 IonicContact OE2-CZ 3.25Å; E193-R196 VanDerWaalsContact OE2-CZ 3.29Å; E193-R196 IonicContact OE2-NE 2.76Å; E193-R196 PolarHBondContact OE2-NE 2.91Å; E193-R196 IonicContact OE2-NH2 3.73Å; E193-R196 PolarHBondContact OE2-NH2 2.78Å; K194-R196 PolarHBondContact O-N 3.1Å; R196-V198 PolarHBondContact O-N 3.39Å; R196-S199 VanDerWaalsContact CA-O 3.31Å; R196-S199 WeakPolarHBondContact CA-O 2.86Å; R196-Q200 HydrophobicContact CG-CG 4.45Å; R196-Q200 PolarHBondContact O-NE2 2.65Å; R196-E204 IonicContact CZ-OE2 3.1Å; R196-E204 VanDerWaalsContact CZ-OE2 3.31Å; R196-E204 IonicContact NH1-OE2 2.64Å; R196-E204 PolarHBondContact NH1-OE2 3.47Å; R196-E204 IonicContact NH2-OE2 2.99Å; R196-E204 PolarHBondContact NH2-OE2 2.79Å; R196-R205 PolarHBondContact NH1-O 3.4Å; R196-N206 VanDerWaalsContact O-CG 3.22Å; R196-N206 PolarHBondContact O-ND2 3Å; R196-N206 PolarHBondContact O-OD1 3.17Å; R196-F207 HydrophobicContact CB-CD2 4.49Å; R196-F207 HydrophobicContact CB-CE2 3.83Å; R196-F207 HydrophobicContact CB-CZ 4.21Å; R196-F207 HydrophobicContact CG-CD2 4.35Å; R196-F207 HydrophobicContact CG-CE2 4.15Å
197V93.9Very high87Confident0 Ų031.4 Ų31.40%017%0.172CC..G310 helixtrans-55-38.4177.6176.80000111.6K194 S195 N206 F207 I280 A354 Y358K194-V197 VanDerWaalsContact O-CB 3.25Å; K194-V197 WeakPolarHBondContact O-CB 3.33Å; K194-V197 VanDerWaalsContact O-CG2 3.22Å; K194-V197 WeakPolarHBondContact O-CG2 3.21Å; K194-V197 PolarHBondContact O-N 3.45Å; K194-V197 VanDerWaalsContact O-N 3.16Å; S195-V197 PolarHBondContact O-N 2.86Å; S195-V197 VanDerWaalsContact O-N 3.15Å; V197-N206 PolarHBondContact O-ND2 2.83Å; V197-F207 HydrophobicContact CG2-CD2 4.23Å; V197-F207 HydrophobicContact CG2-CE2 3.84Å; V197-I280 HydrophobicContact CG1-CG2 3.87Å; V197-A354 HydrophobicContact CG1-CB 4.38Å; V197-Y358 HydrophobicContact CG1-CG 4.41Å; V197-Y358 HydrophobicContact CG2-CD1 3.52Å; V197-Y358 HydrophobicContact CG2-CD2 4.29Å; V197-Y358 HydrophobicContact CG2-CE1 4.23Å; V197-Y358 HydrophobicContact CG2-CG 3.57Å
198V91.6Very high87.3Confident6 Ų631.7 Ų31.74%0.03617%0.174CC..THydrogen-bonded Turntrans-111.3-19.7-172.2-52.30000114.1S195 R196 Y235 Q238 D351 A354 K355S195-V198 WeakPolarHBondContact O-CG2 3.49Å; S195-V198 PolarHBondContact O-N 2.97Å; S195-V198 VanDerWaalsContact O-N 3.11Å; R196-V198 PolarHBondContact O-N 3.39Å; V198-Y235 HydrophobicContact CB-CD1 3.96Å; V198-Y235 HydrophobicContact CB-CE1 3.57Å; V198-Y235 HydrophobicContact CG1-CD1 4.4Å; V198-Y235 HydrophobicContact CG1-CE1 3.77Å; V198-Y235 HydrophobicContact CG1-CE2 4.21Å; V198-Y235 WeakPolarHBondContact O-CD1 3.43Å; V198-Q238 PolarHBondContact O-NE2 3.06Å; V198-D351 HydrophobicContact CB-CB 4.45Å; V198-D351 HydrophobicContact CG1-CB 4.06Å; V198-D351 HydrophobicContact CG2-CB 4.39Å; V198-D351 WeakPolarHBondContact CG2-OD2 3.31Å; V198-A354 HydrophobicContact CG1-CB 4.02Å; V198-K355 HydrophobicContact CG1-CG 4Å
199S86.1Confident87.9Confident62 Ų6230.3 Ų30.343%0.43416%0.164SC..  trans-149.9148.2180-170.20000113S195 R196 Q238S195-S199 PolarHBondContact O-N 3.31Å; S195-S199 VanDerWaalsContact O-N 3.12Å; R196-S199 VanDerWaalsContact CA-O 3.31Å; R196-S199 WeakPolarHBondContact CA-O 2.86Å; S199-Q238 VanDerWaalsContact CA-OE1 3.23Å; S199-Q238 PolarHBondContact OG-OE1 2.7Å
200Q86.4Confident88.5Confident16 Ų1628.9 Ų28.98%0.07516%0.156CC..  trans-135.1149.4-178-54.184.744.400111R196 N206 Y235R196-Q200 HydrophobicContact CG-CG 4.45Å; R196-Q200 PolarHBondContact O-NE2 2.65Å; Q200-N206 HydrophobicContact CG-CB 4.16Å; Q200-N206 PolarHBondContact NE2-ND2 2.72Å; Q200-N206 VanDerWaalsContact NE2-ND2 3.19Å; Q200-Y235 PolarHBondContact NE2-O 3.49Å; Q200-Y235 PolarHBondContact OE1-O 2.91Å
201N82Confident89.5Confident84 Ų8428 Ų2845%0.44915%0.152SC..  trans-71.7159.8170.6-57.4-62000110.9E204 S239N201-E204 HydrophobicContact CB-CG 4.02Å; N201-E204 PolarHBondContact ND2-OE2 2.85Å; N201-E204 WeakPolarHBondContact O-CB 3.5Å; N201-E204 PolarHBondContact O-N 2.88Å; N201-E204 VanDerWaalsContact O-N 3.15Å; N201-S239 VanDerWaalsContact O-CB 3.31Å; N201-S239 WeakPolarHBondContact O-CB 3.19Å
202E82.9Confident90.5Very high169 Ų16927.1 Ų27.179%0.7915%0.147SC*.THydrogen-bonded Turntrans-49.6141.4171.5-65.4179-171.400111.9E204E202-E204 PolarHBondContact O-N 3.01Å; E202-E204 VanDerWaalsContact O-N 3.09Å
203S85.2Confident91Very high67 Ų6725.8 Ų25.847%0.46914%0.14SC..THydrogen-bonded Turntrans62.81.7-177.6-58.50000117K158 T241K158-S203 WeakPolarHBondContact CD-O 3.46Å; K158-S203 WeakPolarHBondContact CE-O 3.27Å; K158-S203 PolarHBondContact NZ-O 2.99Å; S203-T241 WeakPolarHBondContact CA-OG1 3.27Å
204E89.4Confident91.6Very high4 Ų425.3 Ų25.32%0.01914%0.138CC..  trans-95.4165177-58.3-152.5142.200113.2K158 T159 V160 R196 N201 E202 S239 T241K158-E204 CarbonylContact O-C 3.02Å; K158-E204 VanDerWaalsContact O-CA 3.32Å; K158-E204 WeakPolarHBondContact O-CA 3.49Å; K158-E204 VanDerWaalsContact O-CB 3.32Å; K158-E204 WeakPolarHBondContact O-CB 3.43Å; T159-E204 WeakPolarHBondContact CA-OE1 3.43Å; T159-E204 WeakPolarHBondContact CB-OE1 3.11Å; T159-E204 WeakPolarHBondContact CG2-OE1 3.22Å; V160-E204 HydrophobicContact CG2-CG 4.06Å; V160-E204 PolarHBondContact N-OE1 3.34Å; V160-E204 VanDerWaalsContact N-OE1 3.15Å; R196-E204 IonicContact CZ-OE2 3.1Å; R196-E204 VanDerWaalsContact CZ-OE2 3.31Å; R196-E204 IonicContact NH1-OE2 2.64Å; R196-E204 PolarHBondContact NH1-OE2 3.47Å; R196-E204 IonicContact NH2-OE2 2.99Å; R196-E204 PolarHBondContact NH2-OE2 2.79Å; N201-E204 HydrophobicContact CB-CG 4.02Å; N201-E204 PolarHBondContact ND2-OE2 2.85Å; N201-E204 WeakPolarHBondContact O-CB 3.5Å; N201-E204 PolarHBondContact O-N 2.88Å; N201-E204 VanDerWaalsContact O-N 3.15Å; E202-E204 PolarHBondContact O-N 3.01Å; E202-E204 VanDerWaalsContact O-N 3.09Å; E204-S239 WeakPolarHBondContact O-CB 3.14Å; E204-S239 PolarHBondContact O-OG 3.15Å; E204-T241 WeakPolarHBondContact O-CB 3.45Å
205R93.6Very high92Very high0 Ų026.7 Ų26.70%015%0.145CC..  trans-105.5162.1167.2-68.5-150.7-54.5-169.53.4111.4K158 R196 H208 Y211 T241 Y242 V244 D249K158-R205 HydrophobicContact CB-CB 3.81Å; K158-R205 HydrophobicContact CB-CG 3.81Å; K158-R205 HydrophobicContact CD-CG 4.11Å; K158-R205 PolarHBondContact O-N 3.15Å; R196-R205 PolarHBondContact NH1-O 3.4Å; R205-H208 PolarHBondContact NH2-ND1 3.47Å; R205-H208 VanDerWaalsContact NH2-ND1 3.11Å; R205-Y211 HydrophobicContact CB-CE2 3.68Å; R205-Y211 HydrophobicContact CG-CE1 4.41Å; R205-Y211 HydrophobicContact CG-CE2 4.13Å; R205-T241 HydrophobicContact CG-CG2 3.94Å; R205-T241 WeakPolarHBondContact CG-O 3.48Å; R205-Y242 VanDerWaalsContact CD-O 3.28Å; R205-Y242 WeakPolarHBondContact CD-O 3.25Å; R205-Y242 PolarHBondContact NH1-O 2.74Å; R205-V244 HydrophobicContact CG-CG2 4.24Å; R205-D249 IonicContact CZ-OD1 2.63Å; R205-D249 IonicContact CZ-OD2 2.67Å; R205-D249 IonicContact NH1-OD1 2.77Å; R205-D249 PolarHBondContact NH1-OD1 3.33Å; R205-D249 IonicContact NH1-OD2 3.77Å; R205-D249 PolarHBondContact NH1-OD2 3.21Å; R205-D249 IonicContact NH2-OD1 3.36Å; R205-D249 PolarHBondContact NH2-OD1 2.86Å; R205-D249 IonicContact NH2-OD2 2.71Å
206N95.8Very high92.6Very high0 Ų026 Ų260%014%0.143CC..SBendtrans-68.2-173.7157-156.1-27.6000109.3A157 R196 V197 Q200 Y210 Y211 Y235 L236A157-N206 WeakPolarHBondContact CB-O 3.25Å; R196-N206 VanDerWaalsContact O-CG 3.22Å; R196-N206 PolarHBondContact O-ND2 3Å; R196-N206 PolarHBondContact O-OD1 3.17Å; V197-N206 PolarHBondContact O-ND2 2.83Å; Q200-N206 HydrophobicContact CG-CB 4.16Å; Q200-N206 PolarHBondContact NE2-ND2 2.72Å; Q200-N206 VanDerWaalsContact NE2-ND2 3.19Å; N206-Y210 HydrophobicContact CB-CD2 4.12Å; N206-Y210 WeakPolarHBondContact OD1-CE2 3.41Å; N206-Y211 HydrophobicContact CB-CE2 4.03Å; N206-Y211 PolarHBondContact N-OH 2.77Å; N206-Y235 PolarHBondContact ND2-O 2.89Å; N206-L236 HydrophobicContact CB-CD2 3.67Å
207F97.3Very high92.9Very high0 Ų026 Ų260%015%0.145CC..BIsolated β-bridgetrans-59.2144.9175.3-67.3-80.5000112.3F154 N156 R167 L192 R196 V197 I209 Y210 Y211 Y358F154-F207 WeakPolarHBondContact O-CD1 3.3Å; N156-F207 WeakPolarHBondContact O-CA 3.43Å; R167-F207 HydrophobicContact CB-CE1 3.99Å; R167-F207 HydrophobicContact CB-CZ 4.37Å; R167-F207 HydrophobicContact CG-CE1 4.34Å; L192-F207 HydrophobicContact CD1-CE1 3.87Å; L192-F207 HydrophobicContact CD1-CZ 3.83Å; L192-F207 HydrophobicContact CG-CZ 4.41Å; R196-F207 HydrophobicContact CB-CD2 4.49Å; R196-F207 HydrophobicContact CB-CE2 3.83Å; R196-F207 HydrophobicContact CB-CZ 4.21Å; R196-F207 HydrophobicContact CG-CD2 4.35Å; R196-F207 HydrophobicContact CG-CE2 4.15Å; V197-F207 HydrophobicContact CG2-CD2 4.23Å; V197-F207 HydrophobicContact CG2-CE2 3.84Å; F207-I209 VanDerWaalsContact C-N 3.28Å; F207-I209 HydrophobicContact CB-CG2 4.33Å; F207-I209 PolarHBondContact O-N 3.44Å; F207-Y210 HydrophobicContact CB-CD2 4.27Å; F207-Y210 HydrophobicContact CB-CE2 4.29Å; F207-Y210 WeakPolarHBondContact O-CD2 3.35Å; F207-Y210 PolarHBondContact O-N 3.28Å; F207-Y211 WeakPolarHBondContact O-CD2 3.3Å; F207-Y358 WeakPolarHBondContact CB-OH 3.43Å; F207-Y358 HydrophobicContact CD1-CE1 4.42Å; F207-Y358 HydrophobicContact CD2-CD1 4.42Å; F207-Y358 AromaticContact CD2-CE1 3.62Å; F207-Y358 HydrophobicContact CD2-CE1 3.62Å; F207-Y358 AromaticContact CD2-CZ 3.67Å; F207-Y358 HydrophobicContact CE2-CD1 4.31Å; F207-Y358 AromaticContact CE2-CE1 3.75Å; F207-Y358 HydrophobicContact CE2-CE1 3.75Å; F207-Y358 AromaticContact CG-CE1 3.99Å; F207-Y358 HydrophobicContact CG-CE1 3.99Å; F207-Y358 AromaticContact CG-CZ 3.79Å; F207-Y358 VanDerWaalsContact CG-OH 3.23Å; F207-Y358 WeakPolarHBondContact CG-OH 3.19Å; F207-Y358 HydrophobicContact CZ-CE1 4.2Å
208H97.1Very high92.9Very high12 Ų1229.9 Ų29.96%0.05617%0.166CC..Hα-helixtrans-60.6-34.6-171.3-63.8-45.6000113.5A153 N156 K158 N163 N164 R205 Y210 Y211 Q212A153-H208 PolarHBondContact O-N 3.35Å; N156-H208 WeakPolarHBondContact CB-NE2 3.12Å; N156-H208 PolarHBondContact O-CD2 3.18Å; N156-H208 PolarHBondContact O-N 2.68Å; N156-H208 VanDerWaalsContact O-N 3.1Å; K158-H208 PolarHBondContact N-CE1 2.97Å; N163-H208 PolarHBondContact O-CE1 3.37Å; N163-H208 PolarHBondContact O-NE2 3.23Å; N164-H208 WeakPolarHBondContact CA-NE2 3.34Å; N164-H208 WeakPolarHBondContact CB-NE2 3.44Å; N164-H208 PolarHBondContact OD1-NE2 2.87Å; R205-H208 PolarHBondContact NH2-ND1 3.47Å; R205-H208 VanDerWaalsContact NH2-ND1 3.11Å; H208-Y210 PolarHBondContact O-N 3.18Å; H208-Y210 VanDerWaalsContact O-N 3.07Å; H208-Y211 PolarHBondContact O-N 2.86Å; H208-Q212 WeakPolarHBondContact O-CB 3.32Å; H208-Q212 VanDerWaalsContact O-CG 3.31Å; H208-Q212 WeakPolarHBondContact O-CG 3.49Å; H208-Q212 PolarHBondContact O-N 2.73Å
209I98.1Very high93Very high0 Ų033.4 Ų33.40%020%0.195CC..Hα-helixtrans-51.6-34.4-178.7-173.964.3000113.7A153 F154 F207 L213 T256 T277 Y358A153-I209 HydrophobicContact CB-CB 4.4Å; A153-I209 HydrophobicContact CB-CD1 4.44Å; A153-I209 WeakPolarHBondContact O-CB 3.2Å; A153-I209 PolarHBondContact O-N 3.18Å; F154-I209 HydrophobicContact CD1-CB 4.39Å; F154-I209 HydrophobicContact CD1-CG1 4.32Å; F154-I209 HydrophobicContact CD1-CG2 3.95Å; F154-I209 HydrophobicContact CD2-CB 4.35Å; F154-I209 HydrophobicContact CD2-CD1 4.36Å; F154-I209 HydrophobicContact CD2-CG1 4.24Å; F154-I209 HydrophobicContact CE1-CB 4.42Å; F154-I209 HydrophobicContact CE1-CG1 3.87Å; F154-I209 HydrophobicContact CE1-CG2 4.17Å; F154-I209 HydrophobicContact CE2-CB 4.39Å; F154-I209 HydrophobicContact CE2-CD1 3.7Å; F154-I209 HydrophobicContact CE2-CG1 3.78Å; F154-I209 HydrophobicContact CG-CB 4.36Å; F154-I209 HydrophobicContact CG-CG2 4.25Å; F154-I209 HydrophobicContact CZ-CB 4.42Å; F154-I209 HydrophobicContact CZ-CD1 3.86Å; F154-I209 HydrophobicContact CZ-CG1 3.58Å; F207-I209 VanDerWaalsContact C-N 3.28Å; F207-I209 HydrophobicContact CB-CG2 4.33Å; F207-I209 PolarHBondContact O-N 3.44Å; I209-L213 WeakPolarHBondContact O-CB 3.48Å; I209-L213 PolarHBondContact O-N 3.45Å; I209-T256 HydrophobicContact CD1-CG2 4.21Å; I209-T277 HydrophobicContact CG1-CG2 4.12Å; I209-T277 HydrophobicContact CG2-CG2 4.3Å; I209-Y358 HydrophobicContact CG2-CE2 4.19Å; I209-Y358 WeakPolarHBondContact CG2-OH 2.8Å
210Y97.9Very high93.3Very high0 Ų038 Ų380%021%0.21CC..Hα-helixtrans-66.1-44179.3-64.5-63.6000112.4N206 F207 H208 I214 L236 T277 I280 L281 Y358N206-Y210 HydrophobicContact CB-CD2 4.12Å; N206-Y210 WeakPolarHBondContact OD1-CE2 3.41Å; F207-Y210 HydrophobicContact CB-CD2 4.27Å; F207-Y210 HydrophobicContact CB-CE2 4.29Å; F207-Y210 WeakPolarHBondContact O-CD2 3.35Å; F207-Y210 PolarHBondContact O-N 3.28Å; H208-Y210 PolarHBondContact O-N 3.18Å; H208-Y210 VanDerWaalsContact O-N 3.07Å; Y210-I214 VanDerWaalsContact O-CG1 3.31Å; Y210-I214 WeakPolarHBondContact O-CG1 3.31Å; Y210-I214 PolarHBondContact O-N 2.82Å; Y210-I214 VanDerWaalsContact O-N 3.09Å; Y210-L236 HydrophobicContact CD2-CD2 4.17Å; Y210-L236 HydrophobicContact CG-CD2 4.07Å; Y210-T277 HydrophobicContact CD1-CG2 3.59Å; Y210-T277 HydrophobicContact CE1-CG2 3.59Å; Y210-I280 WeakPolarHBondContact OH-CG2 3.43Å; Y210-L281 HydrophobicContact CD1-CD1 3.79Å; Y210-L281 HydrophobicContact CD1-CD2 3.46Å; Y210-L281 VanDerWaalsContact CD1-CD2 3.46Å; Y210-L281 HydrophobicContact CD1-CG 3.52Å; Y210-L281 HydrophobicContact CE1-CD2 3.75Å; Y210-L281 HydrophobicContact CE1-CG 3.79Å; Y210-L281 HydrophobicContact CG-CD2 3.96Å; Y210-L281 HydrophobicContact CG-CG 4.43Å; Y210-Y358 HydrophobicContact CE2-CD2 4.45Å; Y210-Y358 AromaticContact CE2-CE2 3.93Å; Y210-Y358 HydrophobicContact CE2-CE2 3.93Å; Y210-Y358 AromaticContact CZ-CD2 3.92Å; Y210-Y358 AromaticContact CZ-CE2 3.71Å; Y210-Y358 WeakPolarHBondContact OH-CD2 3.46Å; Y210-Y358 WeakPolarHBondContact OH-CE2 3.4Å
211Y96.9Very high93.6Very high4 Ų439.9 Ų39.92%0.01622%0.219CC..Hα-helixtrans-73.3-38.5178.9-52.7-88.8000110.9R205 N206 F207 H208 I214 E215 L236 Y242R205-Y211 HydrophobicContact CB-CE2 3.68Å; R205-Y211 HydrophobicContact CG-CE1 4.41Å; R205-Y211 HydrophobicContact CG-CE2 4.13Å; N206-Y211 HydrophobicContact CB-CE2 4.03Å; N206-Y211 PolarHBondContact N-OH 2.77Å; F207-Y211 WeakPolarHBondContact O-CD2 3.3Å; H208-Y211 PolarHBondContact O-N 2.86Å; Y211-I214 PolarHBondContact O-N 3.09Å; Y211-E215 WeakPolarHBondContact O-CB 3.5Å; Y211-E215 PolarHBondContact O-N 2.87Å; Y211-L236 HydrophobicContact CE1-CD2 4.29Å; Y211-L236 HydrophobicContact CE2-CD2 4.09Å; Y211-Y242 WeakPolarHBondContact CD1-O 3.46Å; Y211-Y242 HydrophobicContact CE1-CD1 4.42Å
212Q97.3Very high94.2Very high10 Ų1039.1 Ų39.15%0.04721%0.212CC..Hα-helixtrans-59.3-45.8172.8-70.6173.8-13.800112H208 G216 D249 D252 F253H208-Q212 WeakPolarHBondContact O-CB 3.32Å; H208-Q212 VanDerWaalsContact O-CG 3.31Å; H208-Q212 WeakPolarHBondContact O-CG 3.49Å; H208-Q212 PolarHBondContact O-N 2.73Å; Q212-G216 WeakPolarHBondContact O-CA 3.17Å; Q212-G216 PolarHBondContact O-N 2.82Å; Q212-D249 WeakPolarHBondContact CA-O 3.35Å; Q212-D249 HydrophobicContact CG-CB 4.08Å; Q212-D249 WeakPolarHBondContact CG-O 3.48Å; Q212-D252 HydrophobicContact CG-CB 4.31Å; Q212-F253 HydrophobicContact CB-CB 3.88Å; Q212-F253 HydrophobicContact CB-CD2 4.13Å; Q212-F253 HydrophobicContact CB-CG 4.48Å; Q212-F253 WeakPolarHBondContact O-CB 3.47Å; Q212-F253 WeakPolarHBondContact O-CG 3.45Å
213L97.3Very high94.7Very high0 Ų038.8 Ų38.80%021%0.21CC..Hα-helixtrans-64.5-46.6176.817859.4000111.9I209 A217 L225 L227 F253 L274 T277 A278I209-L213 WeakPolarHBondContact O-CB 3.48Å; I209-L213 PolarHBondContact O-N 3.45Å; L213-A217 HydrophobicContact CD1-CB 4.24Å; L213-A217 WeakPolarHBondContact O-CB 3.4Å; L213-A217 PolarHBondContact O-N 2.75Å; L213-A217 VanDerWaalsContact O-N 3.11Å; L213-L225 HydrophobicContact CD1-CD1 4.13Å; L213-L227 HydrophobicContact CD1-CD1 3.93Å; L213-L227 HydrophobicContact CD2-CD1 4.49Å; L213-L227 HydrophobicContact CD2-CD2 4.24Å; L213-L227 HydrophobicContact CG-CD1 3.81Å; L213-L227 HydrophobicContact CG-CD2 4.22Å; L213-F253 HydrophobicContact CB-CE2 4.32Å; L213-F253 HydrophobicContact CD1-CE2 3.92Å; L213-F253 HydrophobicContact CD1-CZ 4.06Å; L213-L274 HydrophobicContact CD1-CB 4.26Å; L213-L274 HydrophobicContact CD1-CD1 4.14Å; L213-L274 HydrophobicContact CD1-CD2 4.22Å; L213-L274 HydrophobicContact CD1-CG 4.43Å; L213-T277 HydrophobicContact CD2-CG2 3.93Å; L213-A278 HydrophobicContact CD2-CB 4.43Å
214I96.4Very high95Very high10 Ų1037.4 Ų37.45%0.05121%0.206CC..Hα-helixtrans-65.8-42.4-178.7-69.8167.1000112Y210 Y211 K222 L227 M228 P230 Y233 L236 L281Y210-I214 VanDerWaalsContact O-CG1 3.31Å; Y210-I214 WeakPolarHBondContact O-CG1 3.31Å; Y210-I214 PolarHBondContact O-N 2.82Å; Y210-I214 VanDerWaalsContact O-N 3.09Å; Y211-I214 PolarHBondContact O-N 3.09Å; I214-K222 WeakPolarHBondContact O-CE 3.13Å; I214-K222 PolarHBondContact O-NZ 2.95Å; I214-L227 HydrophobicContact CG1-CD2 4.24Å; I214-M228 VanDerWaalsContact CG2-O 3.31Å; I214-M228 WeakPolarHBondContact CG2-O 3.49Å; I214-P230 HydrophobicContact CD1-CB 4.42Å; I214-P230 HydrophobicContact CD1-CG 4.19Å; I214-P230 HydrophobicContact CG2-CG 3.98Å; I214-Y233 HydrophobicContact CD1-CD2 3.87Å; I214-Y233 HydrophobicContact CD1-CE2 3.82Å; I214-Y233 HydrophobicContact CG1-CE2 4.43Å; I214-L236 HydrophobicContact CD1-CD1 3.54Å; I214-L281 HydrophobicContact CD1-CD1 4.09Å
215E95.2Very high95.3Very high78 Ų7838 Ų3836%0.36421%0.209SC..Hα-helixtrans-76.5-51.6178.3-70.2-79.6-161.700111.1Y211 K222 K243 D249Y211-E215 WeakPolarHBondContact O-CB 3.5Å; Y211-E215 PolarHBondContact O-N 2.87Å; E215-K222 PolarHBondContact O-NZ 2.85Å; E215-K243 VanDerWaalsContact OE1-CE 3.29Å; E215-K243 WeakPolarHBondContact OE1-CE 3.32Å; E215-K243 IonicContact OE1-NZ 2.76Å; E215-K243 PolarHBondContact OE1-NZ 2.71Å; E215-D249 HydrophobicContact CB-CB 4.45Å
216G94.7Very high95.4Very high17 Ų1738.7 Ų38.718%0.17522%0.216CC..Hα-helixtrans-86.6-13.1-166.900000117.9Q212 F253Q212-G216 WeakPolarHBondContact O-CA 3.17Å; Q212-G216 PolarHBondContact O-N 2.82Å; G216-F253 VanDerWaalsContact C-CD1 3.44Å; G216-F253 WeakPolarHBondContact O-CD1 3.38Å
217A95.4Very high95.4Very high8 Ų839.5 Ų39.57%0.06622%0.22CC..SBendtrans-60.5145.5174.900000112.3L213 Q221 K222 L227L213-A217 HydrophobicContact CD1-CB 4.24Å; L213-A217 WeakPolarHBondContact O-CB 3.4Å; L213-A217 PolarHBondContact O-N 2.75Å; L213-A217 VanDerWaalsContact O-N 3.11Å; A217-Q221 HydrophobicContact CB-CB 3.92Å; A217-K222 HydrophobicContact CB-CG 3.74Å; A217-K222 WeakPolarHBondContact O-CE 3.47Å; A217-L227 HydrophobicContact CB-CD1 3.85Å
218N94.2Very high95.2Very high81 Ų8144.7 Ų44.743%0.43325%0.246SC..  trans-76166.3172.377.150.8000111.7Q220 Q221 K222N218-Q220 VanDerWaalsContact C-N 3.32Å; N218-Q220 PolarHBondContact O-N 3.43Å; N218-Q220 WeakPolarHBondContact OD1-CB 3.41Å; N218-Q220 PolarHBondContact OD1-N 3.5Å; N218-Q221 PolarHBondContact ND2-OE1 2.83Å; N218-Q221 VanDerWaalsContact ND2-OE1 3.1Å; N218-Q221 WeakPolarHBondContact O-CA 3.46Å; N218-Q221 WeakPolarHBondContact O-CB 3.08Å; N218-Q221 PolarHBondContact O-N 2.92Å; N218-Q221 PolarHBondContact OD1-N 2.82Å; N218-K222 PolarHBondContact O-N 2.66Å
219A93.4Very high95.1Very high80 Ų8048 Ų4866%0.66127%0.267SS*.Hα-helixtrans-55.8-40.8-175.100000114.1K222 E223A219-K222 PolarHBondContact O-N 3.22Å; A219-E223 WeakPolarHBondContact O-CB 3.35Å; A219-E223 PolarHBondContact O-N 2.76Å
220Q93Very high94.9Very high159 Ų15948.9 Ų48.974%0.74327%0.273SS*.Hα-helixtrans-68.8-35.2178.2-63.3175.9-13.400111.9N218 G224N218-Q220 VanDerWaalsContact C-N 3.32Å; N218-Q220 PolarHBondContact O-N 3.43Å; N218-Q220 WeakPolarHBondContact OD1-CB 3.41Å; N218-Q220 PolarHBondContact OD1-N 3.5Å; Q220-G224 PolarHBondContact O-N 2.94Å
221Q92.9Very high94.7Very high54 Ų5453 Ų5325%0.25230%0.295SS..Hα-helixtrans-68.1-41.5172.2-69.9173.1-52.600111.5A217 N218 L225A217-Q221 HydrophobicContact CB-CB 3.92Å; N218-Q221 PolarHBondContact ND2-OE1 2.83Å; N218-Q221 VanDerWaalsContact ND2-OE1 3.1Å; N218-Q221 WeakPolarHBondContact O-CA 3.46Å; N218-Q221 WeakPolarHBondContact O-CB 3.08Å; N218-Q221 PolarHBondContact O-N 2.92Å; N218-Q221 PolarHBondContact OD1-N 2.82Å; Q221-L225 WeakPolarHBondContact O-CB 3.11Å; Q221-L225 VanDerWaalsContact O-CG 3.28Å; Q221-L225 WeakPolarHBondContact O-CG 3.2Å; Q221-L225 PolarHBondContact O-N 2.71Å
222K93.8Very high94.5Very high69 Ų6956.7 Ų56.730%0.331%0.309SS..Hα-helixtrans-64.6-41177.5-62.3-165.1-162.1-1600111.8I214 E215 A217 N218 A219 G226 L227I214-K222 WeakPolarHBondContact O-CE 3.13Å; I214-K222 PolarHBondContact O-NZ 2.95Å; E215-K222 PolarHBondContact O-NZ 2.85Å; A217-K222 HydrophobicContact CB-CG 3.74Å; A217-K222 WeakPolarHBondContact O-CE 3.47Å; N218-K222 PolarHBondContact O-N 2.66Å; A219-K222 PolarHBondContact O-N 3.22Å; K222-G226 CarbonylContact O-C 3.53Å; K222-G226 WeakPolarHBondContact O-CA 3.15Å; K222-G226 PolarHBondContact O-N 2.63Å; K222-G226 VanDerWaalsContact O-N 3.1Å; K222-L227 HydrophobicContact CB-CB 4.13Å; K222-L227 HydrophobicContact CG-CB 4.21Å; K222-L227 HydrophobicContact CG-CD1 4.22Å; K222-L227 PolarHBondContact O-N 3.38Å
223E93.4Very high94.5Very high162 Ų16256.2 Ų56.276%0.75731%0.307SS*.Hα-helixtrans-63.6-55.5173.5-173.5175.7-16600111.7A219 L225 G226A219-E223 WeakPolarHBondContact O-CB 3.35Å; A219-E223 PolarHBondContact O-N 2.76Å; E223-L225 VanDerWaalsContact C-N 3.29Å; E223-L225 PolarHBondContact O-N 2.84Å; E223-G226 PolarHBondContact O-N 2.94Å; E223-G226 VanDerWaalsContact O-N 3.14Å
224G92.9Very high94.4Very high37 Ų3761.2 Ų61.238%0.38133%0.326SS..Hα-helixtrans-68.2-21-175.900000115.6Q220Q220-G224 PolarHBondContact O-N 2.94Å
225L95.8Very high94.4Very high18 Ų1860.7 Ų60.79%0.09432%0.324CS..THydrogen-bonded Turntrans-100.8-2.5175.2-62.5177.3000113.2L213 Q221 E223 L227 L274 Q275 A278 H282 L309L213-L225 HydrophobicContact CD1-CD1 4.13Å; Q221-L225 WeakPolarHBondContact O-CB 3.11Å; Q221-L225 VanDerWaalsContact O-CG 3.28Å; Q221-L225 WeakPolarHBondContact O-CG 3.2Å; Q221-L225 PolarHBondContact O-N 2.71Å; E223-L225 VanDerWaalsContact C-N 3.29Å; E223-L225 PolarHBondContact O-N 2.84Å; L225-L227 VanDerWaalsContact C-N 3.34Å; L225-L227 HydrophobicContact CB-CD1 4.11Å; L225-L227 HydrophobicContact CB-CD2 4.44Å; L225-L227 HydrophobicContact CB-CG 3.82Å; L225-L227 HydrophobicContact CD1-CD1 4.08Å; L225-L227 PolarHBondContact O-N 2.84Å; L225-L274 HydrophobicContact CD1-CB 4.26Å; L225-Q275 HydrophobicContact CD2-CB 4.15Å; L225-Q275 HydrophobicContact CD2-CG 4.25Å; L225-A278 HydrophobicContact CB-CB 4Å; L225-A278 HydrophobicContact CD2-CB 4.25Å; L225-A278 HydrophobicContact CG-CB 4.49Å; L225-H282 PolarHBondContact O-NE2 3.25Å; L225-L309 HydrophobicContact CD2-CD2 3.9Å
226G94.5Very high94.4Very high13 Ų1357 Ų5713%0.13431%0.307CS..THydrogen-bonded Turntrans58.740.5-17500000113.4K222 E223 M228 Y233 H282K222-G226 CarbonylContact O-C 3.53Å; K222-G226 WeakPolarHBondContact O-CA 3.15Å; K222-G226 PolarHBondContact O-N 2.63Å; K222-G226 VanDerWaalsContact O-N 3.1Å; E223-G226 PolarHBondContact O-N 2.94Å; E223-G226 VanDerWaalsContact O-N 3.14Å; G226-M228 PolarHBondContact O-N 3.31Å; G226-Y233 PolarHBondContact O-OH 3.34Å; G226-H282 PolarHBondContact O-CE1 2.62Å; G226-H282 PolarHBondContact O-NE2 2.61Å; G226-H282 VanDerWaalsContact O-NE2 3.15Å
227L95.4Very high94.3Very high18 Ų1858.8 Ų58.89%0.09431%0.312CS..  trans-78.8113.9-176-66.6171.5000111.8L213 I214 A217 K222 L225 Y233 A278L213-L227 HydrophobicContact CD1-CD1 3.93Å; L213-L227 HydrophobicContact CD2-CD1 4.49Å; L213-L227 HydrophobicContact CD2-CD2 4.24Å; L213-L227 HydrophobicContact CG-CD1 3.81Å; L213-L227 HydrophobicContact CG-CD2 4.22Å; I214-L227 HydrophobicContact CG1-CD2 4.24Å; A217-L227 HydrophobicContact CB-CD1 3.85Å; K222-L227 HydrophobicContact CB-CB 4.13Å; K222-L227 HydrophobicContact CG-CB 4.21Å; K222-L227 HydrophobicContact CG-CD1 4.22Å; K222-L227 PolarHBondContact O-N 3.38Å; L225-L227 VanDerWaalsContact C-N 3.34Å; L225-L227 HydrophobicContact CB-CD1 4.11Å; L225-L227 HydrophobicContact CB-CD2 4.44Å; L225-L227 HydrophobicContact CB-CG 3.82Å; L225-L227 HydrophobicContact CD1-CD1 4.08Å; L225-L227 PolarHBondContact O-N 2.84Å; L227-Y233 WeakPolarHBondContact CA-OH 3.25Å; L227-A278 HydrophobicContact CD2-CB 4.19Å
228M94.4Very high94Very high108 Ų10861.3 Ų61.353%0.53232%0.323SS..  trans-101.5-176.7171.4-69.7-159.3161.200111.8I214 G226 Y232 Y233I214-M228 VanDerWaalsContact CG2-O 3.31Å; I214-M228 WeakPolarHBondContact CG2-O 3.49Å; G226-M228 PolarHBondContact O-N 3.31Å; M228-Y232 HydrophobicContact CB-CD1 3.73Å; M228-Y232 HydrophobicContact CB-CE1 4.46Å; M228-Y232 HydrophobicContact CB-CG 3.86Å; M228-Y232 HydrophobicContact CG-CD1 4.2Å; M228-Y232 HydrophobicContact CG-CE1 4.49Å; M228-Y232 HydrophobicContact CG-CG 4.38Å; M228-Y232 HydrophobicContact SD-CD1 4.11Å; M228-Y232 HydrophobicContact SD-CD2 3.81Å; M228-Y232 HydrophobicContact SD-CE1 4.24Å; M228-Y232 HydrophobicContact SD-CE2 3.95Å; M228-Y232 HydrophobicContact SD-CG 3.9Å; M228-Y233 HydrophobicContact CB-CE2 4.44Å; M228-Y233 PolarHBondContact N-OH 3.19Å
229T93.9Very high93.6Very high81 Ų8158.2 Ų58.250%0.49731%0.307SS..  trans-66.6153.8176.152.30000111.4D231 Y232T229-D231 WeakPolarHBondContact CB-OD1 3.32Å; T229-D231 PolarHBondContact O-N 3.1Å; T229-D231 VanDerWaalsContact O-N 3.1Å; T229-D231 PolarHBondContact OG1-OD1 3.16Å; T229-Y232 WeakPolarHBondContact O-CB 3.37Å; T229-Y232 PolarHBondContact O-N 3.21Å; T229-Y232 VanDerWaalsContact O-N 3.07Å
230P93.4Very high93.1Very high20 Ų2056.9 Ų56.913%0.1330%0.302CS..G310 helixtrans-60.1-25.2-171.9-27.737.6000115.5I214 Y232 Y233 L236 Y242I214-P230 HydrophobicContact CD1-CB 4.42Å; I214-P230 HydrophobicContact CD1-CG 4.19Å; I214-P230 HydrophobicContact CG2-CG 3.98Å; P230-Y232 VanDerWaalsContact C-N 3.31Å; P230-Y232 PolarHBondContact O-N 3.31Å; P230-Y233 PolarHBondContact O-N 3.09Å; P230-L236 HydrophobicContact CB-CD1 4.29Å; P230-L236 WeakPolarHBondContact O-CB 3.48Å; P230-Y242 HydrophobicContact CB-CD1 3.42Å; P230-Y242 VanDerWaalsContact CB-CD1 3.42Å; P230-Y242 HydrophobicContact CB-CE1 3.93Å; P230-Y242 HydrophobicContact CB-CG 4.06Å; P230-Y242 HydrophobicContact CG-CD1 4.43Å
231D93.6Very high92.9Very high86 Ų8650.3 Ų50.346%0.4627%0.272SS..G310 helixtrans-68.7-24.5177.455.6-64.2000113.9T229 Y233 N237 Y242T229-D231 WeakPolarHBondContact CB-OD1 3.32Å; T229-D231 PolarHBondContact O-N 3.1Å; T229-D231 VanDerWaalsContact O-N 3.1Å; T229-D231 PolarHBondContact OG1-OD1 3.16Å; D231-Y233 PolarHBondContact O-N 3.11Å; D231-N237 WeakPolarHBondContact O-CB 3.45Å; D231-N237 PolarHBondContact O-ND2 3.06Å; D231-Y242 HydrophobicContact CB-CE2 4.39Å
232Y94.4Very high92.8Very high82 Ų8251 Ų5132%0.32227%0.273SS..G310 helixtrans-67.3-22.6174.3172.3-100.9000113M228 T229 P230 N285M228-Y232 HydrophobicContact CB-CD1 3.73Å; M228-Y232 HydrophobicContact CB-CE1 4.46Å; M228-Y232 HydrophobicContact CB-CG 3.86Å; M228-Y232 HydrophobicContact CG-CD1 4.2Å; M228-Y232 HydrophobicContact CG-CE1 4.49Å; M228-Y232 HydrophobicContact CG-CG 4.38Å; M228-Y232 HydrophobicContact SD-CD1 4.11Å; M228-Y232 HydrophobicContact SD-CD2 3.81Å; M228-Y232 HydrophobicContact SD-CE1 4.24Å; M228-Y232 HydrophobicContact SD-CE2 3.95Å; M228-Y232 HydrophobicContact SD-CG 3.9Å; T229-Y232 WeakPolarHBondContact O-CB 3.37Å; T229-Y232 PolarHBondContact O-N 3.21Å; T229-Y232 VanDerWaalsContact O-N 3.07Å; P230-Y232 VanDerWaalsContact C-N 3.31Å; P230-Y232 PolarHBondContact O-N 3.31Å; Y232-N285 WeakPolarHBondContact CE1-ND2 3.27Å; Y232-N285 PolarHBondContact O-ND2 2.79Å; Y232-N285 PolarHBondContact O-OD1 2.67Å
233Y96.5Very high92.5Very high0 Ų054.7 Ų54.70%029%0.289CS..  trans-99.2119.5-173.9-62-69.1000112.6I214 G226 L227 M228 P230 D231 Y235 L236 N237 L281 H282 N285I214-Y233 HydrophobicContact CD1-CD2 3.87Å; I214-Y233 HydrophobicContact CD1-CE2 3.82Å; I214-Y233 HydrophobicContact CG1-CE2 4.43Å; G226-Y233 PolarHBondContact O-OH 3.34Å; L227-Y233 WeakPolarHBondContact CA-OH 3.25Å; M228-Y233 HydrophobicContact CB-CE2 4.44Å; M228-Y233 PolarHBondContact N-OH 3.19Å; P230-Y233 PolarHBondContact O-N 3.09Å; D231-Y233 PolarHBondContact O-N 3.11Å; Y233-Y235 PolarHBondContact O-N 3.17Å; Y233-Y235 VanDerWaalsContact O-N 3.16Å; Y233-L236 HydrophobicContact CD2-CD1 4.08Å; Y233-L236 HydrophobicContact CG-CD1 4.43Å; Y233-L236 PolarHBondContact O-N 2.85Å; Y233-N237 VanDerWaalsContact O-CG 3.29Å; Y233-N237 PolarHBondContact O-N 3.36Å; Y233-L281 HydrophobicContact CD1-CB 3.61Å; Y233-L281 HydrophobicContact CD2-CD1 4.18Å; Y233-L281 HydrophobicContact CE1-CB 3.8Å; Y233-L281 HydrophobicContact CE2-CD1 4.2Å; Y233-L281 HydrophobicContact CG-CB 4.04Å; Y233-L281 HydrophobicContact CG-CD1 4.35Å; Y233-L281 HydrophobicContact CG-CD2 4.44Å; Y233-H282 AromaticContact CE1-CE1 3.99Å; Y233-H282 AromaticContact CE1-ND1 3.93Å; Y233-N285 WeakPolarHBondContact CA-OD1 3.47Å
234Y95.2Very high92.3Very high104 Ų10447.5 Ų47.541%0.40826%0.256SS..Hα-helixtrans-56.3-32.8178.2178-101.4000113.1L236 N237 Q238 G284 N285Y234-L236 VanDerWaalsContact C-N 3.25Å; Y234-L236 PolarHBondContact O-N 3.49Å; Y234-N237 WeakPolarHBondContact CA-OD1 2.75Å; Y234-N237 PolarHBondContact O-OD1 3.42Å; Y234-Q238 HydrophobicContact CE2-CG 4.48Å; Y234-Q238 WeakPolarHBondContact O-CG 3.14Å; Y234-Q238 PolarHBondContact O-NE2 3.3Å; Y234-G284 WeakPolarHBondContact CB-O 3.21Å; Y234-G284 WeakPolarHBondContact CD1-O 3.22Å; Y234-N285 PolarHBondContact N-OD1 3.43Å
235Y96.2Very high91.7Very high0 Ų052.8 Ų52.80%028%0.276CS..Hα-helixtrans-78.41176-67.8-20.7000114.6V198 Q200 N206 Y233 I280 D351 A354V198-Y235 HydrophobicContact CB-CD1 3.96Å; V198-Y235 HydrophobicContact CB-CE1 3.57Å; V198-Y235 HydrophobicContact CG1-CD1 4.4Å; V198-Y235 HydrophobicContact CG1-CE1 3.77Å; V198-Y235 HydrophobicContact CG1-CE2 4.21Å; V198-Y235 WeakPolarHBondContact O-CD1 3.43Å; Q200-Y235 PolarHBondContact NE2-O 3.49Å; Q200-Y235 PolarHBondContact OE1-O 2.91Å; N206-Y235 PolarHBondContact ND2-O 2.89Å; Y233-Y235 PolarHBondContact O-N 3.17Å; Y233-Y235 VanDerWaalsContact O-N 3.16Å; Y235-I280 HydrophobicContact CD2-CG2 4.25Å; Y235-I280 VanDerWaalsContact CD2-O 3.28Å; Y235-I280 WeakPolarHBondContact CD2-O 3.43Å; Y235-I280 HydrophobicContact CE2-CG2 4.25Å; Y235-I280 VanDerWaalsContact CE2-O 3.24Å; Y235-I280 WeakPolarHBondContact CE2-O 3.25Å; Y235-D351 PolarHBondContact OH-OD1 3.17Å; Y235-A354 HydrophobicContact CE2-CB 3.69Å
236L95.5Very high91Very high0 Ų056.3 Ų56.30%032%0.316CS..Hα-helixtrans-126.3-22.7178.3-58.2179.7000113.9N206 Y210 Y211 I214 P230 Y233 Y234 Y242 L281N206-L236 HydrophobicContact CB-CD2 3.67Å; Y210-L236 HydrophobicContact CD2-CD2 4.17Å; Y210-L236 HydrophobicContact CG-CD2 4.07Å; Y211-L236 HydrophobicContact CE1-CD2 4.29Å; Y211-L236 HydrophobicContact CE2-CD2 4.09Å; I214-L236 HydrophobicContact CD1-CD1 3.54Å; P230-L236 HydrophobicContact CB-CD1 4.29Å; P230-L236 WeakPolarHBondContact O-CB 3.48Å; Y233-L236 HydrophobicContact CD2-CD1 4.08Å; Y233-L236 HydrophobicContact CG-CD1 4.43Å; Y233-L236 PolarHBondContact O-N 2.85Å; Y234-L236 VanDerWaalsContact C-N 3.25Å; Y234-L236 PolarHBondContact O-N 3.49Å; L236-Y242 WeakPolarHBondContact O-CE1 3.31Å; L236-L281 HydrophobicContact CD1-CD1 4.19Å; L236-L281 HydrophobicContact CD1-CD2 3.76Å; L236-L281 HydrophobicContact CD2-CD2 4.02Å; L236-L281 HydrophobicContact CG-CD2 3.71Å
237N93.2Very high90.7Very high55 Ų5558 Ų5829%0.29432%0.324SS..Hα-helixtrans-88.3-16.3-171.668.813.4000115.4D231 Y233 Y234 S239 G240 Y242D231-N237 WeakPolarHBondContact O-CB 3.45Å; D231-N237 PolarHBondContact O-ND2 3.06Å; Y233-N237 VanDerWaalsContact O-CG 3.29Å; Y233-N237 PolarHBondContact O-N 3.36Å; Y234-N237 WeakPolarHBondContact CA-OD1 2.75Å; Y234-N237 PolarHBondContact O-OD1 3.42Å; N237-S239 VanDerWaalsContact C-N 3.27Å; N237-S239 PolarHBondContact O-N 3.3Å; N237-S239 VanDerWaalsContact O-N 3.13Å; N237-G240 PolarHBondContact O-N 2.66Å; N237-G240 VanDerWaalsContact O-N 3.1Å; N237-Y242 WeakPolarHBondContact CA-OH 3.21Å; N237-Y242 HydrophobicContact CB-CE1 4.32Å; N237-Y242 WeakPolarHBondContact CB-OH 3.42Å
238Q88.2Confident90.5Very high61 Ų6161.3 Ų61.329%0.28534%0.342SS..THydrogen-bonded Turntrans-53.6-35.2-176.3-73.3168.951.500115V198 S199 Y234V198-Q238 PolarHBondContact O-NE2 3.06Å; S199-Q238 VanDerWaalsContact CA-OE1 3.23Å; S199-Q238 PolarHBondContact OG-OE1 2.7Å; Y234-Q238 HydrophobicContact CE2-CG 4.48Å; Y234-Q238 WeakPolarHBondContact O-CG 3.14Å; Y234-Q238 PolarHBondContact O-NE2 3.3Å
239S85.6Confident90.6Very high15 Ų1556.9 Ų56.911%0.10532%0.32CS..THydrogen-bonded Turntrans-97.1-0.2-176.368.90000114.5N201 E204 N237 T241N201-S239 VanDerWaalsContact O-CB 3.31Å; N201-S239 WeakPolarHBondContact O-CB 3.19Å; E204-S239 WeakPolarHBondContact O-CB 3.14Å; E204-S239 PolarHBondContact O-OG 3.15Å; N237-S239 VanDerWaalsContact C-N 3.27Å; N237-S239 PolarHBondContact O-N 3.3Å; N237-S239 VanDerWaalsContact O-N 3.13Å; S239-T241 PolarHBondContact O-N 3.31Å; S239-T241 PolarHBondContact O-OG1 3.42Å; S239-T241 WeakPolarHBondContact OG-CB 3.45Å; S239-T241 PolarHBondContact OG-N 3.05Å
240G83.5Confident90.6Very high53 Ų5355.4 Ų55.455%0.54631%0.313SS..SBendtrans58.59.1-170.700000115.1N237N237-G240 PolarHBondContact O-N 2.66Å; N237-G240 VanDerWaalsContact O-N 3.1Å
241T88.2Confident90.7Very high20 Ų2059.3 Ų59.312%0.12333%0.328CS..  trans-112.8102.3-166-630000111.3K158 S203 E204 R205 S239K158-T241 HydrophobicContact CD-CG2 3.83Å; S203-T241 WeakPolarHBondContact CA-OG1 3.27Å; E204-T241 WeakPolarHBondContact O-CB 3.45Å; R205-T241 HydrophobicContact CG-CG2 3.94Å; R205-T241 WeakPolarHBondContact CG-O 3.48Å; S239-T241 PolarHBondContact O-N 3.31Å; S239-T241 PolarHBondContact O-OG1 3.42Å; S239-T241 WeakPolarHBondContact OG-CB 3.45Å; S239-T241 PolarHBondContact OG-N 3.05Å
242Y91.1Very high90.8Very high68 Ų6857 Ų5727%0.26732%0.316SS..  trans-103.5-41.9-177.6-49.5-61.9000113.3R205 Y211 P230 D231 L236 N237R205-Y242 VanDerWaalsContact CD-O 3.28Å; R205-Y242 WeakPolarHBondContact CD-O 3.25Å; R205-Y242 PolarHBondContact NH1-O 2.74Å; Y211-Y242 WeakPolarHBondContact CD1-O 3.46Å; Y211-Y242 HydrophobicContact CE1-CD1 4.42Å; P230-Y242 HydrophobicContact CB-CD1 3.42Å; P230-Y242 VanDerWaalsContact CB-CD1 3.42Å; P230-Y242 HydrophobicContact CB-CE1 3.93Å; P230-Y242 HydrophobicContact CB-CG 4.06Å; P230-Y242 HydrophobicContact CG-CD1 4.43Å; D231-Y242 HydrophobicContact CB-CE2 4.39Å; L236-Y242 WeakPolarHBondContact O-CE1 3.31Å; N237-Y242 WeakPolarHBondContact CA-OH 3.21Å; N237-Y242 HydrophobicContact CB-CE1 4.32Å; N237-Y242 WeakPolarHBondContact CB-OH 3.42Å
243K88.5Confident90.9Very high147 Ų14753.4 Ų53.464%0.63930%0.302SS*.  trans-105.6160.9-176.1-57.2-158.7174.5-148.60112.4E215E215-K243 VanDerWaalsContact OE1-CE 3.29Å; E215-K243 WeakPolarHBondContact OE1-CE 3.32Å; E215-K243 IonicContact OE1-NZ 2.76Å; E215-K243 PolarHBondContact OE1-NZ 2.71Å
244V87.9Confident90.9Very high11 Ų1156.6 Ų56.67%0.06732%0.324CS..  trans-138.1127.9-177.2176.10000109.5K158 N163 R205 G246 T247K158-V244 HydrophobicContact CB-CG2 3.94Å; K158-V244 HydrophobicContact CD-CG2 3.86Å; K158-V244 HydrophobicContact CG-CG1 4.49Å; K158-V244 HydrophobicContact CG-CG2 3.83Å; N163-V244 HydrophobicContact CB-CG1 3.72Å; N163-V244 WeakPolarHBondContact ND2-CG1 3.44Å; R205-V244 HydrophobicContact CG-CG2 4.24Å; V244-G246 PolarHBondContact O-N 3.35Å; V244-T247 WeakPolarHBondContact CG1-OG1 3.29Å; V244-T247 PolarHBondContact O-N 2.81Å; V244-T247 VanDerWaalsContact O-N 3.17Å
245D80.8Confident90.9Very high149 Ų14955 Ų5580%0.79732%0.321SS*.THydrogen-bonded Turntrans-62.1127.7-178.9-51.7-57.2000111.4N163 T247N163-D245 PolarHBondContact ND2-O 3.28Å; D245-T247 VanDerWaalsContact C-N 3.32Å
246G80.5Confident90.9Very high91 Ų9155.1 Ų55.194%0.93832%0.321SS*.THydrogen-bonded Turntrans80.90.5-178.700000115.7V244V244-G246 PolarHBondContact O-N 3.35Å
247T88Confident90.9Very high48 Ų4857.1 Ų57.129%0.29433%0.331SS..  trans-97.8146.5175.4-59.90000110.7V244 D245 D252V244-T247 WeakPolarHBondContact CG1-OG1 3.29Å; V244-T247 PolarHBondContact O-N 2.81Å; V244-T247 VanDerWaalsContact O-N 3.17Å; D245-T247 VanDerWaalsContact C-N 3.32Å; T247-D252 WeakPolarHBondContact CG2-OD2 3.3Å
248N92.8Very high91Very high89 Ų8959.4 Ų59.448%0.47634%0.34SS..  trans-129.183.2173.5-178.7-11.7000108.9S250 K251 D252N248-S250 PolarHBondContact O-N 3.43Å; N248-S250 PolarHBondContact OD1-N 3.02Å; N248-K251 HydrophobicContact CB-CB 4.06Å; N248-K251 PolarHBondContact O-N 2.92Å; N248-K251 PolarHBondContact OD1-N 3.47Å; N248-D252 PolarHBondContact O-N 3.41Å
249D94.6Very high91.3Very high14 Ų1456.5 Ų56.58%0.07533%0.326CS..Hα-helixtrans-54.6-29.3-173.8-65.6-67.4000113R205 Q212 E215 F253R205-D249 IonicContact CZ-OD1 2.63Å; R205-D249 IonicContact CZ-OD2 2.67Å; R205-D249 IonicContact NH1-OD1 2.77Å; R205-D249 PolarHBondContact NH1-OD1 3.33Å; R205-D249 IonicContact NH1-OD2 3.77Å; R205-D249 PolarHBondContact NH1-OD2 3.21Å; R205-D249 IonicContact NH2-OD1 3.36Å; R205-D249 PolarHBondContact NH2-OD1 2.86Å; R205-D249 IonicContact NH2-OD2 2.71Å; Q212-D249 WeakPolarHBondContact CA-O 3.35Å; Q212-D249 HydrophobicContact CG-CB 4.08Å; Q212-D249 WeakPolarHBondContact CG-O 3.48Å; E215-D249 HydrophobicContact CB-CB 4.45Å; D249-F253 VanDerWaalsContact O-CB 3.31Å; D249-F253 WeakPolarHBondContact O-CB 3.2Å; D249-F253 PolarHBondContact O-N 2.89Å
250S95.1Very high91.8Very high51 Ų5155.8 Ų55.836%0.35732%0.322SS..Hα-helixtrans-72.2-36.2174.4174.70000113.9N248 S254N248-S250 PolarHBondContact O-N 3.43Å; N248-S250 PolarHBondContact OD1-N 3.02Å; S250-S254 PolarHBondContact O-N 3Å; S250-S254 PolarHBondContact O-OG 2.99Å
251K95.5Very high92.3Very high101 Ų10160.1 Ų60.144%0.43933%0.327SS..Hα-helixtrans-72-43.2173.3177.8-179.4162.8-700110N248 F253 S254 E255N248-K251 HydrophobicContact CB-CB 4.06Å; N248-K251 PolarHBondContact O-N 2.92Å; N248-K251 PolarHBondContact OD1-N 3.47Å; K251-F253 VanDerWaalsContact C-N 3.29Å; K251-F253 PolarHBondContact O-N 3.15Å; K251-S254 WeakPolarHBondContact O-CA 3.45Å; K251-S254 VanDerWaalsContact O-CB 3.28Å; K251-S254 WeakPolarHBondContact O-CB 3.5Å; K251-S254 PolarHBondContact O-N 3.48Å; K251-E255 WeakPolarHBondContact CE-OE1 3.26Å; K251-E255 IonicContact NZ-OE1 2.74Å; K251-E255 PolarHBondContact NZ-OE1 3.28Å; K251-E255 IonicContact NZ-OE2 3.62Å; K251-E255 PolarHBondContact O-N 2.96Å; K251-E255 VanDerWaalsContact O-N 3.08Å
252D95.1Very high92.5Very high37 Ų3761.2 Ų61.220%0.19833%0.334CS..Hα-helixtrans-69-29.7-177.2-52.4-20.7000111.2Q212 T247 N248 T256Q212-D252 HydrophobicContact CG-CB 4.31Å; T247-D252 WeakPolarHBondContact CG2-OD2 3.3Å; N248-D252 PolarHBondContact O-N 3.41Å; D252-T256 WeakPolarHBondContact O-CB 3.41Å; D252-T256 PolarHBondContact O-N 3.11Å; D252-T256 PolarHBondContact O-OG1 2.87Å
253F97Very high92.6Very high7 Ų758.5 Ų58.53%0.03132%0.324CS..Hα-helixtrans-60-43.9165.3-175.7-112.5000112.4Q212 L213 G216 D249 K251 T256 M257 L274Q212-F253 HydrophobicContact CB-CB 3.88Å; Q212-F253 HydrophobicContact CB-CD2 4.13Å; Q212-F253 HydrophobicContact CB-CG 4.48Å; Q212-F253 WeakPolarHBondContact O-CB 3.47Å; Q212-F253 WeakPolarHBondContact O-CG 3.45Å; L213-F253 HydrophobicContact CB-CE2 4.32Å; L213-F253 HydrophobicContact CD1-CE2 3.92Å; L213-F253 HydrophobicContact CD1-CZ 4.06Å; G216-F253 VanDerWaalsContact C-CD1 3.44Å; G216-F253 WeakPolarHBondContact O-CD1 3.38Å; D249-F253 VanDerWaalsContact O-CB 3.31Å; D249-F253 WeakPolarHBondContact O-CB 3.2Å; D249-F253 PolarHBondContact O-N 2.89Å; K251-F253 VanDerWaalsContact C-N 3.29Å; K251-F253 PolarHBondContact O-N 3.15Å; F253-T256 WeakPolarHBondContact O-CB 3.26Å; F253-T256 PolarHBondContact O-N 3Å; F253-T256 VanDerWaalsContact O-N 3.13Å; F253-M257 HydrophobicContact CD1-CG 4.35Å; F253-M257 HydrophobicContact CE1-CG 4.01Å; F253-M257 HydrophobicContact CE2-CG 4.36Å; F253-M257 HydrophobicContact CE2-SD 4.22Å; F253-M257 HydrophobicContact CZ-CG 4.01Å; F253-M257 HydrophobicContact CZ-SD 3.97Å; F253-M257 WeakPolarHBondContact O-CG 3.32Å; F253-M257 PolarHBondContact O-N 2.83Å; F253-L274 HydrophobicContact CE2-CD1 4.23Å; F253-L274 HydrophobicContact CE2-CD2 4.02Å; F253-L274 HydrophobicContact CZ-CD1 3.85Å; F253-L274 HydrophobicContact CZ-CD2 4.49Å
254S96.2Very high92.8Very high67 Ų6754.2 Ų54.247%0.46932%0.321SS..Hα-helixtrans-64.1-43.4-179.1-53.60000111.2S250 K251 T256 M257 E258S250-S254 PolarHBondContact O-N 3Å; S250-S254 PolarHBondContact O-OG 2.99Å; K251-S254 WeakPolarHBondContact O-CA 3.45Å; K251-S254 VanDerWaalsContact O-CB 3.28Å; K251-S254 WeakPolarHBondContact O-CB 3.5Å; K251-S254 PolarHBondContact O-N 3.48Å; S254-T256 VanDerWaalsContact C-N 3.29Å; S254-T256 PolarHBondContact O-N 3.23Å; S254-M257 PolarHBondContact O-N 2.82Å; S254-E258 PolarHBondContact O-N 2.67Å
255E95.1Very high93.2Very high72 Ų7254 Ų5434%0.33632%0.32SS..Hα-helixtrans-63.7-33.2173.1-66.9-177.8-179.200112.3P149 K251 A259P149-E255 HydrophobicContact CB-CB 4.38Å; K251-E255 WeakPolarHBondContact CE-OE1 3.26Å; K251-E255 IonicContact NZ-OE1 2.74Å; K251-E255 PolarHBondContact NZ-OE1 3.28Å; K251-E255 IonicContact NZ-OE2 3.62Å; K251-E255 PolarHBondContact O-N 2.96Å; K251-E255 VanDerWaalsContact O-N 3.08Å; E255-A259 VanDerWaalsContact O-CB 3.31Å; E255-A259 WeakPolarHBondContact O-CB 3.3Å; E255-A259 PolarHBondContact O-N 2.94Å
256T96.3Very high93.9Very high2 Ų250.1 Ų50.11%0.01230%0.302CS..Hα-helixtrans-69-39.7175.9-59.90000112L150 A153 F154 I209 D252 F253 S254 M260L150-T256 HydrophobicContact CD1-CG2 3.88Å; A153-T256 HydrophobicContact CB-CG2 3.78Å; A153-T256 WeakPolarHBondContact CB-OG1 3.23Å; F154-T256 HydrophobicContact CE2-CG2 4.45Å; I209-T256 HydrophobicContact CD1-CG2 4.21Å; D252-T256 WeakPolarHBondContact O-CB 3.41Å; D252-T256 PolarHBondContact O-N 3.11Å; D252-T256 PolarHBondContact O-OG1 2.87Å; F253-T256 WeakPolarHBondContact O-CB 3.26Å; F253-T256 PolarHBondContact O-N 3Å; F253-T256 VanDerWaalsContact O-N 3.13Å; S254-T256 VanDerWaalsContact C-N 3.29Å; S254-T256 PolarHBondContact O-N 3.23Å; T256-M260 WeakPolarHBondContact O-CG 3.47Å; T256-M260 PolarHBondContact O-N 3.28Å; T256-M260 VanDerWaalsContact O-N 3.17Å
257M96.3Very high94.6Very high42 Ų4250.3 Ų50.321%0.20729%0.289CS..Hα-helixtrans-67.1-43.5173.6-66.1-57.5-56.700111.8F253 S254 A259 M260 Q261 Q270 L274F253-M257 HydrophobicContact CD1-CG 4.35Å; F253-M257 HydrophobicContact CE1-CG 4.01Å; F253-M257 HydrophobicContact CE2-CG 4.36Å; F253-M257 HydrophobicContact CE2-SD 4.22Å; F253-M257 HydrophobicContact CZ-CG 4.01Å; F253-M257 HydrophobicContact CZ-SD 3.97Å; F253-M257 WeakPolarHBondContact O-CG 3.32Å; F253-M257 PolarHBondContact O-N 2.83Å; S254-M257 PolarHBondContact O-N 2.82Å; M257-A259 PolarHBondContact O-N 2.91Å; M257-M260 HydrophobicContact CE-CE 3.86Å; M257-M260 PolarHBondContact O-N 3.2Å; M257-M260 HydrophobicContact SD-CE 3.36Å; M257-M260 WeakPolarHBondContact SD-CE 3.27Å; M257-Q261 PolarHBondContact O-N 3.42Å; M257-Q261 VanDerWaalsContact O-N 3.11Å; M257-Q270 HydrophobicContact CE-CB 4.32Å; M257-L274 HydrophobicContact CE-CD1 4.42Å; M257-L274 HydrophobicContact SD-CD1 3.95Å; M257-L274 HydrophobicContact SD-CD2 4.37Å
258E95.1Very high95Very high103 Ų10352.3 Ų52.348%0.48130%0.298SS..Hα-helixtrans-60-44.4174.7-173.8-179.3168.600111.4S254 M260 Q261 V262S254-E258 PolarHBondContact O-N 2.67Å; E258-M260 PolarHBondContact O-N 2.87Å; E258-Q261 WeakPolarHBondContact O-CB 3.38Å; E258-Q261 PolarHBondContact O-N 3.27Å; E258-Q261 VanDerWaalsContact O-N 3.09Å; E258-V262 HydrophobicContact CG-CG2 4.44Å; E258-V262 WeakPolarHBondContact O-CG2 3.48Å; E258-V262 PolarHBondContact O-N 3.45Å
259A94.8Very high95.1Very high0 Ų049.3 Ų49.30%028%0.282CS..Hα-helixtrans-56.4-47.5175.500000112.3Q146 P149 L150 E255 M257 Q261 V262 I263Q146-A259 WeakPolarHBondContact O-CB 3.13Å; P149-A259 HydrophobicContact CB-CB 4.32Å; L150-A259 HydrophobicContact CB-CB 4.05Å; E255-A259 VanDerWaalsContact O-CB 3.31Å; E255-A259 WeakPolarHBondContact O-CB 3.3Å; E255-A259 PolarHBondContact O-N 2.94Å; M257-A259 PolarHBondContact O-N 2.91Å; A259-Q261 VanDerWaalsContact C-N 3.27Å; A259-Q261 PolarHBondContact O-N 2.75Å; A259-V262 PolarHBondContact O-N 3Å; A259-I263 WeakPolarHBondContact O-CB 3.41Å; A259-I263 VanDerWaalsContact O-CD1 3.27Å; A259-I263 WeakPolarHBondContact O-CD1 3.22Å; A259-I263 VanDerWaalsContact O-CG1 3.24Å; A259-I263 WeakPolarHBondContact O-CG1 3.27Å; A259-I263 PolarHBondContact O-N 2.89Å
260M95.8Very high95.2Very high0 Ų049.7 Ų49.70%028%0.283CS..Hα-helixtrans-60.5-35.8176.2-69.3-164.3-72.100112.6L150 T256 M257 E258 G264 I265 Q270 V273L150-M260 HydrophobicContact CD1-CG 3.62Å; L150-M260 HydrophobicContact CD1-SD 4.08Å; L150-M260 HydrophobicContact CD2-CG 3.96Å; L150-M260 HydrophobicContact CG-CG 4.4Å; T256-M260 WeakPolarHBondContact O-CG 3.47Å; T256-M260 PolarHBondContact O-N 3.28Å; T256-M260 VanDerWaalsContact O-N 3.17Å; M257-M260 HydrophobicContact CE-CE 3.86Å; M257-M260 PolarHBondContact O-N 3.2Å; M257-M260 HydrophobicContact SD-CE 3.36Å; M257-M260 WeakPolarHBondContact SD-CE 3.27Å; E258-M260 PolarHBondContact O-N 2.87Å; M260-G264 PolarHBondContact O-N 3.45Å; M260-I265 HydrophobicContact CB-CB 4.34Å; M260-I265 HydrophobicContact CB-CD1 4.17Å; M260-I265 HydrophobicContact CG-CD1 4.01Å; M260-I265 WeakPolarHBondContact O-CB 3.47Å; M260-I265 PolarHBondContact O-N 2.86Å; M260-I265 HydrophobicContact SD-CD1 4.41Å; M260-Q270 HydrophobicContact CB-CG 4Å; M260-Q270 HydrophobicContact CE-CB 4.26Å; M260-Q270 HydrophobicContact CE-CG 4.25Å; M260-Q270 HydrophobicContact SD-CG 4.23Å; M260-V273 HydrophobicContact SD-CG1 4.26Å
261Q94.2Very high95.3Very high143 Ų14349.8 Ų49.867%0.66829%0.288SS*.Hα-helixtrans-68.6-42.8174.9-175.3177.2-13.300112.2M257 E258 A259 G264M257-Q261 PolarHBondContact O-N 3.42Å; M257-Q261 VanDerWaalsContact O-N 3.11Å; E258-Q261 WeakPolarHBondContact O-CB 3.38Å; E258-Q261 PolarHBondContact O-N 3.27Å; E258-Q261 VanDerWaalsContact O-N 3.09Å; A259-Q261 VanDerWaalsContact C-N 3.27Å; A259-Q261 PolarHBondContact O-N 2.75Å; Q261-G264 PolarHBondContact O-N 2.61Å
262V91.7Very high95.3Very high44 Ų4446.2 Ų46.227%0.26727%0.272SS..Hα-helixtrans-67-35.4178.2173.10000112.3I143 Q146 E258 A259 G264I143-V262 HydrophobicContact CG1-CG1 4.43Å; Q146-V262 HydrophobicContact CB-CB 4.45Å; Q146-V262 HydrophobicContact CB-CG1 4.21Å; Q146-V262 HydrophobicContact CG-CG1 4.15Å; E258-V262 HydrophobicContact CG-CG2 4.44Å; E258-V262 WeakPolarHBondContact O-CG2 3.48Å; E258-V262 PolarHBondContact O-N 3.45Å; A259-V262 PolarHBondContact O-N 3Å; V262-G264 PolarHBondContact O-N 3.14Å
263I93.1Very high95.4Very high11 Ų1144.5 Ų44.56%0.05626%0.263CS..Hα-helixtrans-67.5-19.2172.5-66.8157.1000111.7I143 L150 A259 I265 I369 A372I143-I263 HydrophobicContact CG2-CG1 4.14Å; L150-I263 HydrophobicContact CB-CD1 4.48Å; L150-I263 HydrophobicContact CD2-CD1 3.41Å; L150-I263 VanDerWaalsContact CD2-CD1 3.41Å; A259-I263 WeakPolarHBondContact O-CB 3.41Å; A259-I263 VanDerWaalsContact O-CD1 3.27Å; A259-I263 WeakPolarHBondContact O-CD1 3.22Å; A259-I263 VanDerWaalsContact O-CG1 3.24Å; A259-I263 WeakPolarHBondContact O-CG1 3.27Å; A259-I263 PolarHBondContact O-N 2.89Å; I263-I265 HydrophobicContact CB-CG1 4.32Å; I263-I265 HydrophobicContact CG2-CD1 4.31Å; I263-I265 HydrophobicContact CG2-CG1 3.91Å; I263-I369 HydrophobicContact CD1-CD1 4.27Å; I263-I369 HydrophobicContact CD1-CG1 3.63Å; I263-I369 HydrophobicContact CG1-CG1 4.09Å; I263-I369 HydrophobicContact CG2-CG1 4.07Å; I263-A372 HydrophobicContact CG2-CB 4.34Å; I263-A372 WeakPolarHBondContact O-CB 3.27Å
264G93.4Very high95.4Very high56 Ų5644.3 Ų44.358%0.57726%0.262SS*.THydrogen-bonded Turntrans83.624.9-178.500000114.1M260 Q261 V262 P266M260-G264 PolarHBondContact O-N 3.45Å; Q261-G264 PolarHBondContact O-N 2.61Å; V262-G264 PolarHBondContact O-N 3.14Å; G264-P266 WeakPolarHBondContact O-CD 3.38Å
265I95.8Very high95.5Very high8 Ų842.5 Ų42.54%0.04125%0.246CC..  trans-69.4122.9172.1-56.1-175.8000108.2L150 M260 I263 I269 Q270 L365 A368L150-I265 HydrophobicContact CD2-CD1 4.36Å; M260-I265 HydrophobicContact CB-CB 4.34Å; M260-I265 HydrophobicContact CB-CD1 4.17Å; M260-I265 HydrophobicContact CG-CD1 4.01Å; M260-I265 WeakPolarHBondContact O-CB 3.47Å; M260-I265 PolarHBondContact O-N 2.86Å; M260-I265 HydrophobicContact SD-CD1 4.41Å; I263-I265 HydrophobicContact CB-CG1 4.32Å; I263-I265 HydrophobicContact CG2-CD1 4.31Å; I263-I265 HydrophobicContact CG2-CG1 3.91Å; I265-I269 HydrophobicContact CG2-CB 4.03Å; I265-I269 HydrophobicContact CG2-CG2 3.89Å; I265-Q270 HydrophobicContact CB-CG 4.18Å; I265-Q270 HydrophobicContact CG2-CG 3.89Å; I265-Q270 PolarHBondContact O-NE2 3.24Å; I265-L365 HydrophobicContact CD1-CD2 3.88Å; I265-A368 HydrophobicContact CD1-CB 4.15Å; I265-A368 HydrophobicContact CG1-CB 4.21Å
266P96.2Very high95.6Very high66 Ų6639 Ų3943%0.42923%0.23SC..  trans-59.3145.3-179.2-25.735.7000112.8G264 D268 I269 Q270G264-P266 WeakPolarHBondContact O-CD 3.38Å; P266-D268 VanDerWaalsContact C-N 3.28Å; P266-D268 WeakPolarHBondContact CB-OD1 3.42Å; P266-D268 PolarHBondContact O-N 3.16Å; P266-I269 HydrophobicContact CB-CB 4.49Å; P266-I269 HydrophobicContact CB-CG1 4.12Å; P266-I269 HydrophobicContact CG-CG1 4.27Å; P266-I269 CarbonylContact O-C 3.48Å; P266-I269 WeakPolarHBondContact O-CA 3.36Å; P266-I269 WeakPolarHBondContact O-CB 3.47Å; P266-I269 PolarHBondContact O-N 3.49Å; P266-Q270 WeakPolarHBondContact O-CG 3.23Å; P266-Q270 PolarHBondContact O-N 2.84Å
267S95.3Very high95.7Very high95 Ų9539 Ų3966%0.66423%0.23SC*.Hα-helixtrans-63.4-29.6-173.553.10000114.2A271S267-A271 PolarHBondContact O-N 3.14Å
268D95Very high95.7Very high90 Ų9037 Ų3748%0.48122%0.22SC..Hα-helixtrans-68.6-34.1171.560.5-63.6000112.2P266 Q272P266-D268 VanDerWaalsContact C-N 3.28Å; P266-D268 WeakPolarHBondContact CB-OD1 3.42Å; P266-D268 PolarHBondContact O-N 3.16Å; D268-Q272 WeakPolarHBondContact O-CG 3.42Å; D268-Q272 PolarHBondContact O-N 3.2Å; D268-Q272 VanDerWaalsContact O-N 3.17Å; D268-Q272 PolarHBondContact O-NE2 3.26Å
269I96.6Very high95.9Very high26 Ų2632 Ų3213%0.13320%0.197CC..Hα-helixtrans-75.7-40.2172.9-55.3-62.1000110.5I265 P266 A271 Q272 V273 Y364 F539I265-I269 HydrophobicContact CG2-CB 4.03Å; I265-I269 HydrophobicContact CG2-CG2 3.89Å; P266-I269 HydrophobicContact CB-CB 4.49Å; P266-I269 HydrophobicContact CB-CG1 4.12Å; P266-I269 HydrophobicContact CG-CG1 4.27Å; P266-I269 CarbonylContact O-C 3.48Å; P266-I269 WeakPolarHBondContact O-CA 3.36Å; P266-I269 WeakPolarHBondContact O-CB 3.47Å; P266-I269 PolarHBondContact O-N 3.49Å; I269-A271 VanDerWaalsContact C-N 3.28Å; I269-A271 PolarHBondContact O-N 2.7Å; I269-Q272 CarbonylContact O-C 3.52Å; I269-Q272 PolarHBondContact O-N 2.72Å; I269-Q272 VanDerWaalsContact O-N 3.1Å; I269-V273 HydrophobicContact CG2-CG2 4.29Å; I269-V273 VanDerWaalsContact O-CG2 3.27Å; I269-V273 WeakPolarHBondContact O-CG2 3.4Å; I269-V273 PolarHBondContact O-N 3.12Å; I269-Y364 HydrophobicContact CG2-CE1 4.06Å; I269-F539 HydrophobicContact CD1-CB 4.08Å; I269-F539 HydrophobicContact CD1-CD2 4.07Å; I269-F539 HydrophobicContact CD1-CG 4.11Å; I269-F539 HydrophobicContact CG2-CD1 4.47Å; I269-F539 HydrophobicContact CG2-CD2 4.1Å; I269-F539 HydrophobicContact CG2-CE1 4.2Å; I269-F539 HydrophobicContact CG2-CE2 3.84Å; I269-F539 HydrophobicContact CG2-CG 4.41Å; I269-F539 HydrophobicContact CG2-CZ 3.89Å
270Q96.7Very high96Very high22 Ų2232 Ų3210%0.10320%0.197CC..Hα-helixtrans-56-44172.6-65.1-179.219.200111.3M257 M260 I265 P266 V273 L274M257-Q270 HydrophobicContact CE-CB 4.32Å; M260-Q270 HydrophobicContact CB-CG 4Å; M260-Q270 HydrophobicContact CE-CB 4.26Å; M260-Q270 HydrophobicContact CE-CG 4.25Å; M260-Q270 HydrophobicContact SD-CG 4.23Å; I265-Q270 HydrophobicContact CB-CG 4.18Å; I265-Q270 HydrophobicContact CG2-CG 3.89Å; I265-Q270 PolarHBondContact O-NE2 3.24Å; P266-Q270 WeakPolarHBondContact O-CG 3.23Å; P266-Q270 PolarHBondContact O-N 2.84Å; Q270-V273 WeakPolarHBondContact O-CB 3.22Å; Q270-V273 PolarHBondContact O-N 3.02Å; Q270-L274 PolarHBondContact O-N 3.07Å
271A95.4Very high96.1Very high54 Ų5432 Ų3245%0.44620%0.197SC..Hα-helixtrans-59-48.5173.500000111.7S267 I269 V273 L274 Q275S267-A271 PolarHBondContact O-N 3.14Å; I269-A271 VanDerWaalsContact C-N 3.28Å; I269-A271 PolarHBondContact O-N 2.7Å; A271-V273 VanDerWaalsContact C-N 3.33Å; A271-V273 PolarHBondContact O-N 3.33Å; A271-L274 PolarHBondContact O-N 3.25Å; A271-Q275 VanDerWaalsContact O-CB 3.31Å; A271-Q275 WeakPolarHBondContact O-CB 3.44Å; A271-Q275 PolarHBondContact O-N 2.86Å
272Q96.3Very high96.3Very high26 Ų2625.5 Ų25.512%0.12117%0.167CC..Hα-helixtrans-65.9-29.4178.5-73.7164.594.300113.4D268 I269 Q275 I276 F537 F539D268-Q272 WeakPolarHBondContact O-CG 3.42Å; D268-Q272 PolarHBondContact O-N 3.2Å; D268-Q272 VanDerWaalsContact O-N 3.17Å; D268-Q272 PolarHBondContact O-NE2 3.26Å; I269-Q272 CarbonylContact O-C 3.52Å; I269-Q272 PolarHBondContact O-N 2.72Å; I269-Q272 VanDerWaalsContact O-N 3.1Å; Q272-Q275 WeakPolarHBondContact O-CB 3.27Å; Q272-Q275 PolarHBondContact O-N 3.35Å; Q272-I276 WeakPolarHBondContact O-CD1 3.25Å; Q272-I276 VanDerWaalsContact O-CG1 3.27Å; Q272-I276 WeakPolarHBondContact O-CG1 3.4Å; Q272-I276 PolarHBondContact O-N 3.42Å; Q272-F537 HydrophobicContact CG-CD1 4.49Å; Q272-F539 HydrophobicContact CB-CD1 3.73Å; Q272-F539 HydrophobicContact CB-CE1 4.4Å; Q272-F539 VanDerWaalsContact OE1-CB 3.3Å
273V97.8Very high96.5Very high0 Ų023.4 Ų23.40%015%0.154CC..Hα-helixtrans-62.9-47.2172.2166.40000110.7F154 M260 I269 Q270 A271 Q275 T277 L361 L365 F539F154-V273 HydrophobicContact CE1-CG1 4.21Å; F154-V273 HydrophobicContact CE2-CG1 4.42Å; F154-V273 HydrophobicContact CZ-CG1 3.57Å; M260-V273 HydrophobicContact SD-CG1 4.26Å; I269-V273 HydrophobicContact CG2-CG2 4.29Å; I269-V273 VanDerWaalsContact O-CG2 3.27Å; I269-V273 WeakPolarHBondContact O-CG2 3.4Å; I269-V273 PolarHBondContact O-N 3.12Å; Q270-V273 WeakPolarHBondContact O-CB 3.22Å; Q270-V273 PolarHBondContact O-N 3.02Å; A271-V273 VanDerWaalsContact C-N 3.33Å; A271-V273 PolarHBondContact O-N 3.33Å; V273-Q275 VanDerWaalsContact C-N 3.33Å; V273-T277 PolarHBondContact O-N 3.2Å; V273-T277 VanDerWaalsContact O-N 3.14Å; V273-T277 PolarHBondContact O-OG1 3.43Å; V273-L361 HydrophobicContact CB-CD1 4.31Å; V273-L361 HydrophobicContact CG1-CD1 4.23Å; V273-L361 HydrophobicContact CG1-CD2 4.4Å; V273-L361 HydrophobicContact CG2-CD1 3.94Å; V273-L365 HydrophobicContact CG1-CD2 4.46Å; V273-L365 HydrophobicContact CG2-CD2 4.3Å; V273-F539 HydrophobicContact CG2-CE1 4Å; V273-F539 HydrophobicContact CG2-CZ 4.13Å
274L97.3Very high96.6Very high3 Ų322.9 Ų22.92%0.01615%0.151CC..Hα-helixtrans-67.5-35.9174.8-57.7-174.3000111.8L213 L225 F253 M257 Q270 A271 T277 A278L213-L274 HydrophobicContact CD1-CB 4.26Å; L213-L274 HydrophobicContact CD1-CD1 4.14Å; L213-L274 HydrophobicContact CD1-CD2 4.22Å; L213-L274 HydrophobicContact CD1-CG 4.43Å; L225-L274 HydrophobicContact CD1-CB 4.26Å; F253-L274 HydrophobicContact CE2-CD1 4.23Å; F253-L274 HydrophobicContact CE2-CD2 4.02Å; F253-L274 HydrophobicContact CZ-CD1 3.85Å; F253-L274 HydrophobicContact CZ-CD2 4.49Å; M257-L274 HydrophobicContact CE-CD1 4.42Å; M257-L274 HydrophobicContact SD-CD1 3.95Å; M257-L274 HydrophobicContact SD-CD2 4.37Å; Q270-L274 PolarHBondContact O-N 3.07Å; A271-L274 PolarHBondContact O-N 3.25Å; L274-T277 WeakPolarHBondContact O-CB 3.45Å; L274-T277 PolarHBondContact O-N 2.95Å; L274-A278 PolarHBondContact O-N 3.27Å
275Q96.6Very high96.7Very high29 Ų2921.4 Ų21.414%0.13613%0.13CC..Hα-helixtrans-63.3-43.9178.4-166.4-175.5-30.100112.4L225 A271 Q272 V273 T277 A278 G279 L309L225-Q275 HydrophobicContact CD2-CB 4.15Å; L225-Q275 HydrophobicContact CD2-CG 4.25Å; A271-Q275 VanDerWaalsContact O-CB 3.31Å; A271-Q275 WeakPolarHBondContact O-CB 3.44Å; A271-Q275 PolarHBondContact O-N 2.86Å; Q272-Q275 WeakPolarHBondContact O-CB 3.27Å; Q272-Q275 PolarHBondContact O-N 3.35Å; V273-Q275 VanDerWaalsContact C-N 3.33Å; Q275-T277 VanDerWaalsContact C-N 3.33Å; Q275-A278 PolarHBondContact O-N 3.41Å; Q275-G279 PolarHBondContact O-N 3Å; Q275-L309 HydrophobicContact CG-CB 4.23Å; Q275-L309 HydrophobicContact CG-CD2 3.82Å; Q275-L309 WeakPolarHBondContact CG-O 3.28Å; Q275-L309 PolarHBondContact NE2-O 3.22Å
276I97.9Very high96.7Very high0 Ų021 Ų210%013%0.128CC..Hα-helixtrans-64.4-40.3172-65.9160.9000110.4Q272 G279 I280 L357 L361 F539 I540 L543Q272-I276 WeakPolarHBondContact O-CD1 3.25Å; Q272-I276 VanDerWaalsContact O-CG1 3.27Å; Q272-I276 WeakPolarHBondContact O-CG1 3.4Å; Q272-I276 PolarHBondContact O-N 3.42Å; I276-G279 PolarHBondContact O-N 3.01Å; I276-I280 HydrophobicContact CG2-CD1 3.89Å; I276-I280 HydrophobicContact CG2-CG1 4.43Å; I276-I280 WeakPolarHBondContact O-CD1 3.2Å; I276-I280 VanDerWaalsContact O-CG1 3.28Å; I276-I280 WeakPolarHBondContact O-CG1 3.46Å; I276-I280 PolarHBondContact O-N 2.78Å; I276-L357 HydrophobicContact CG2-CB 4.36Å; I276-L357 HydrophobicContact CG2-CD2 4.26Å; I276-L361 HydrophobicContact CB-CD2 4.25Å; I276-L361 HydrophobicContact CD1-CD1 4.11Å; I276-L361 HydrophobicContact CG2-CD2 3.99Å; I276-F539 HydrophobicContact CD1-CD1 3.81Å; I276-F539 HydrophobicContact CD1-CE1 3.66Å; I276-I540 HydrophobicContact CD1-CD1 4.44Å; I276-I540 HydrophobicContact CD1-CG1 3.79Å; I276-I540 HydrophobicContact CG1-CD1 3.96Å; I276-I540 HydrophobicContact CG1-CG1 3.87Å; I276-L543 HydrophobicContact CD1-CD1 3.89Å
277T97.9Very high96.6Very high0 Ų019.4 Ų19.40%012%0.118CC..Hα-helixtrans-62-45.2178.3-56.10000111.7I209 Y210 L213 V273 L274 Q275 I280 L281I209-T277 HydrophobicContact CG1-CG2 4.12Å; I209-T277 HydrophobicContact CG2-CG2 4.3Å; Y210-T277 HydrophobicContact CD1-CG2 3.59Å; Y210-T277 HydrophobicContact CE1-CG2 3.59Å; L213-T277 HydrophobicContact CD2-CG2 3.93Å; V273-T277 PolarHBondContact O-N 3.2Å; V273-T277 VanDerWaalsContact O-N 3.14Å; V273-T277 PolarHBondContact O-OG1 3.43Å; L274-T277 WeakPolarHBondContact O-CB 3.45Å; L274-T277 PolarHBondContact O-N 2.95Å; Q275-T277 VanDerWaalsContact C-N 3.33Å; T277-I280 PolarHBondContact O-N 2.87Å; T277-L281 PolarHBondContact O-N 3.21Å
278A97.9Very high96.5Very high0 Ų015.3 Ų15.30%09%0.089CC..Hα-helixtrans-66-41.7172.400000112.1L213 L225 L227 L274 Q275 I280 L281 H282 L309L213-A278 HydrophobicContact CD2-CB 4.43Å; L225-A278 HydrophobicContact CB-CB 4Å; L225-A278 HydrophobicContact CD2-CB 4.25Å; L225-A278 HydrophobicContact CG-CB 4.49Å; L227-A278 HydrophobicContact CD2-CB 4.19Å; L274-A278 PolarHBondContact O-N 3.27Å; Q275-A278 PolarHBondContact O-N 3.41Å; A278-I280 VanDerWaalsContact C-N 3.28Å; A278-I280 PolarHBondContact O-N 2.88Å; A278-L281 WeakPolarHBondContact O-CB 3.46Å; A278-L281 PolarHBondContact O-N 3.3Å; A278-L281 VanDerWaalsContact O-N 3.08Å; A278-H282 PolarHBondContact O-CD2 2.98Å; A278-H282 PolarHBondContact O-N 3.1Å; A278-L309 HydrophobicContact CB-CD1 4.08Å
279G97.5Very high96.3Very high0 Ų014.4 Ų14.40%08%0.083CC..Hα-helixtrans-58.8-36.5176.600000113.2Q275 I276 H282 L283Q275-G279 PolarHBondContact O-N 3Å; I276-G279 PolarHBondContact O-N 3.01Å; G279-H282 PolarHBondContact O-N 3.19Å; G279-L283 WeakPolarHBondContact O-CB 3.49Å; G279-L283 WeakPolarHBondContact O-CG 3.46Å; G279-L283 PolarHBondContact O-N 3.12Å
280I98.2Very high95.9Very high0 Ų018.9 Ų18.90%010%0.103CC..Hα-helixtrans-66.3-40173.9-68158.9000111.6V197 Y210 Y235 I276 T277 A278 L283 G284 A354 L357 Y358V197-I280 HydrophobicContact CG1-CG2 3.87Å; Y210-I280 WeakPolarHBondContact OH-CG2 3.43Å; Y235-I280 HydrophobicContact CD2-CG2 4.25Å; Y235-I280 VanDerWaalsContact CD2-O 3.28Å; Y235-I280 WeakPolarHBondContact CD2-O 3.43Å; Y235-I280 HydrophobicContact CE2-CG2 4.25Å; Y235-I280 VanDerWaalsContact CE2-O 3.24Å; Y235-I280 WeakPolarHBondContact CE2-O 3.25Å; I276-I280 HydrophobicContact CG2-CD1 3.89Å; I276-I280 HydrophobicContact CG2-CG1 4.43Å; I276-I280 WeakPolarHBondContact O-CD1 3.2Å; I276-I280 VanDerWaalsContact O-CG1 3.28Å; I276-I280 WeakPolarHBondContact O-CG1 3.46Å; I276-I280 PolarHBondContact O-N 2.78Å; T277-I280 PolarHBondContact O-N 2.87Å; A278-I280 VanDerWaalsContact C-N 3.28Å; A278-I280 PolarHBondContact O-N 2.88Å; I280-L283 PolarHBondContact O-N 3.23Å; I280-G284 PolarHBondContact O-N 3.42Å; I280-A354 HydrophobicContact CG2-CB 4.05Å; I280-L357 HydrophobicContact CD1-CB 3.87Å; I280-L357 HydrophobicContact CG1-CB 3.97Å; I280-L357 HydrophobicContact CG1-CD1 4.28Å; I280-Y358 HydrophobicContact CD1-CD2 4.04Å
281L97.5Very high95.2Very high0 Ų019.3 Ų19.30%011%0.111CC..Hα-helixtrans-62.8-46.6175.3-70.2-179.2000111.7Y210 I214 Y233 L236 T277 A278 G284Y210-L281 HydrophobicContact CD1-CD1 3.79Å; Y210-L281 HydrophobicContact CD1-CD2 3.46Å; Y210-L281 VanDerWaalsContact CD1-CD2 3.46Å; Y210-L281 HydrophobicContact CD1-CG 3.52Å; Y210-L281 HydrophobicContact CE1-CD2 3.75Å; Y210-L281 HydrophobicContact CE1-CG 3.79Å; Y210-L281 HydrophobicContact CG-CD2 3.96Å; Y210-L281 HydrophobicContact CG-CG 4.43Å; I214-L281 HydrophobicContact CD1-CD1 4.09Å; Y233-L281 HydrophobicContact CD1-CB 3.61Å; Y233-L281 HydrophobicContact CD2-CD1 4.18Å; Y233-L281 HydrophobicContact CE1-CB 3.8Å; Y233-L281 HydrophobicContact CE2-CD1 4.2Å; Y233-L281 HydrophobicContact CG-CB 4.04Å; Y233-L281 HydrophobicContact CG-CD1 4.35Å; Y233-L281 HydrophobicContact CG-CD2 4.44Å; L236-L281 HydrophobicContact CD1-CD1 4.19Å; L236-L281 HydrophobicContact CD1-CD2 3.76Å; L236-L281 HydrophobicContact CD2-CD2 4.02Å; L236-L281 HydrophobicContact CG-CD2 3.71Å; T277-L281 PolarHBondContact O-N 3.21Å; A278-L281 WeakPolarHBondContact O-CB 3.46Å; A278-L281 PolarHBondContact O-N 3.3Å; A278-L281 VanDerWaalsContact O-N 3.08Å; L281-G284 PolarHBondContact O-N 2.79Å
282H97.6Very high94Very high6 Ų620.1 Ų20.13%0.02812%0.124CC..Hα-helixtrans-66.9-36.8177.2-71.8-74000112.8L225 G226 Y233 A278 G279 G284 N285 F305 P306 L309L225-H282 PolarHBondContact O-NE2 3.25Å; G226-H282 PolarHBondContact O-CE1 2.62Å; G226-H282 PolarHBondContact O-NE2 2.61Å; G226-H282 VanDerWaalsContact O-NE2 3.15Å; Y233-H282 AromaticContact CE1-CE1 3.99Å; Y233-H282 AromaticContact CE1-ND1 3.93Å; A278-H282 PolarHBondContact O-CD2 2.98Å; A278-H282 PolarHBondContact O-N 3.1Å; G279-H282 PolarHBondContact O-N 3.19Å; H282-G284 PolarHBondContact O-N 3Å; H282-N285 PolarHBondContact O-N 3.46Å; H282-N285 VanDerWaalsContact O-N 3.11Å; H282-F305 HydrophobicContact CB-CB 4.23Å; H282-F305 AromaticContact CE1-CG 3.96Å; H282-P306 HydrophobicContact CB-CB 4.24Å; H282-P306 HydrophobicContact CB-CG 4.38Å; H282-L309 VanDerWaalsContact CD2-CD1 3.44Å; H282-L309 WeakPolarHBondContact CD2-CD1 3.24Å
283L96.6Very high92.9Very high0 Ų025.2 Ų25.20%015%0.152CC..Hα-helixtrans-55.4-37.6171.7-85178000111.9G279 I280 N285 I286 P306 L310 L317 R350 L353 L357G279-L283 WeakPolarHBondContact O-CB 3.49Å; G279-L283 WeakPolarHBondContact O-CG 3.46Å; G279-L283 PolarHBondContact O-N 3.12Å; I280-L283 PolarHBondContact O-N 3.23Å; L283-N285 PolarHBondContact O-N 2.89Å; L283-I286 HydrophobicContact CD2-CD1 3.75Å; L283-I286 WeakPolarHBondContact O-CB 3.3Å; L283-I286 WeakPolarHBondContact O-CG1 3.44Å; L283-I286 PolarHBondContact O-N 2.94Å; L283-P306 HydrophobicContact CD2-CB 3.79Å; L283-P306 HydrophobicContact CD2-CG 4.41Å; L283-P306 HydrophobicContact CG-CB 3.86Å; L283-L310 HydrophobicContact CD1-CD1 3.87Å; L283-L310 HydrophobicContact CG-CD1 4.24Å; L283-L317 HydrophobicContact CD2-CD1 4.18Å; L283-L317 HydrophobicContact CD2-CD2 4.47Å; L283-R350 VanDerWaalsContact O-CD 3.26Å; L283-R350 WeakPolarHBondContact O-CD 3.48Å; L283-R350 WeakPolarHBondContact O-CG 3.25Å; L283-L353 HydrophobicContact CD1-CD2 3.96Å; L283-L353 HydrophobicContact CD1-CG 4.1Å; L283-L353 HydrophobicContact CD2-CD2 4.27Å; L283-L357 HydrophobicContact CD1-CD1 3.87Å
284G95.7Very high92.1Very high0 Ų029.6 Ų29.60%017%0.173CC..Hα-helixtrans-65.5-23.7179.800000114.5Y234 I280 L281 H282 I286 R350Y234-G284 WeakPolarHBondContact CB-O 3.21Å; Y234-G284 WeakPolarHBondContact CD1-O 3.22Å; I280-G284 PolarHBondContact O-N 3.42Å; L281-G284 PolarHBondContact O-N 2.79Å; H282-G284 PolarHBondContact O-N 3Å; G284-I286 VanDerWaalsContact C-N 3.31Å; G284-R350 PolarHBondContact O-NH1 3.04Å
285N95.8Very high91.5Very high24 Ų2429.8 Ų29.813%0.12818%0.175CC..THydrogen-bonded Turntrans-80.6-9.8178.1-73.710.6000113.2Y232 Y233 Y234 H282 L283 S287 L302Y232-N285 WeakPolarHBondContact CE1-ND2 3.27Å; Y232-N285 PolarHBondContact O-ND2 2.79Å; Y232-N285 PolarHBondContact O-OD1 2.67Å; Y233-N285 WeakPolarHBondContact CA-OD1 3.47Å; Y234-N285 PolarHBondContact N-OD1 3.43Å; H282-N285 PolarHBondContact O-N 3.46Å; H282-N285 VanDerWaalsContact O-N 3.11Å; L283-N285 PolarHBondContact O-N 2.89Å; N285-S287 PolarHBondContact O-N 3.37Å; N285-S287 VanDerWaalsContact O-N 3.13Å; N285-L302 WeakPolarHBondContact O-CD1 3.38Å
286I95.6Very high91.2Very high0 Ų033.5 Ų33.50%019%0.192CC..  trans-67.7112174.1-57.7168.8000108.9L283 G284 F288 V297 L303 P306 L317 L321 R350L283-I286 HydrophobicContact CD2-CD1 3.75Å; L283-I286 WeakPolarHBondContact O-CB 3.3Å; L283-I286 WeakPolarHBondContact O-CG1 3.44Å; L283-I286 PolarHBondContact O-N 2.94Å; G284-I286 VanDerWaalsContact C-N 3.31Å; I286-F288 HydrophobicContact CG2-CE1 4.15Å; I286-F288 HydrophobicContact CG2-CE2 4.35Å; I286-F288 HydrophobicContact CG2-CZ 3.88Å; I286-V297 HydrophobicContact CG2-CG1 4.04Å; I286-V297 HydrophobicContact CG2-CG2 4.41Å; I286-L303 HydrophobicContact CD1-CD2 3.84Å; I286-L303 HydrophobicContact CG1-CD2 4.21Å; I286-L303 HydrophobicContact CG2-CD2 4.19Å; I286-P306 HydrophobicContact CD1-CG 4.06Å; I286-L317 HydrophobicContact CD1-CD2 4.43Å; I286-L321 HydrophobicContact CD1-CD1 3.92Å; I286-L321 HydrophobicContact CG2-CD1 4.43Å; I286-R350 VanDerWaalsContact O-CD 3.25Å; I286-R350 WeakPolarHBondContact O-CD 3.43Å; I286-R350 PolarHBondContact O-NH1 2.84Å
287S93.1Very high90.8Very high33 Ų3334.1 Ų34.123%0.23120%0.196CC..  trans-99.1155.4172.746.50000111.7N285 E298N285-S287 PolarHBondContact O-N 3.37Å; N285-S287 VanDerWaalsContact O-N 3.13Å; S287-E298 WeakPolarHBondContact CB-OE2 3.42Å; S287-E298 PolarHBondContact O-N 2.79Å; S287-E298 WeakPolarHBondContact OG-CB 3.33Å; S287-E298 PolarHBondContact OG-OE2 2.9Å
288F93.5Very high90.5Very high9 Ų940 Ų404%0.03922%0.223CC..EExtended strand (participates in β ladder)trans-125.5145.5-179.5-56.9-81.7000110.5I286 E296 V297 L321 T322 Q343 A346 R350I286-F288 HydrophobicContact CG2-CE1 4.15Å; I286-F288 HydrophobicContact CG2-CE2 4.35Å; I286-F288 HydrophobicContact CG2-CZ 3.88Å; F288-E296 CarbonylContact C-O 3.58Å; F288-E296 WeakPolarHBondContact CA-O 3.49Å; F288-V297 HydrophobicContact CD1-CG2 3.97Å; F288-V297 HydrophobicContact CE1-CG2 3.78Å; F288-L321 HydrophobicContact CE1-CB 4.09Å; F288-L321 HydrophobicContact CZ-CB 4.06Å; F288-L321 HydrophobicContact CZ-CD1 4.29Å; F288-T322 HydrophobicContact CD1-CG2 4.2Å; F288-T322 HydrophobicContact CE1-CG2 4.09Å; F288-Q343 HydrophobicContact CB-CG 3.95Å; F288-Q343 WeakPolarHBondContact O-CG 3.19Å; F288-Q343 PolarHBondContact O-NE2 2.68Å; F288-A346 HydrophobicContact CD1-CB 3.71Å; F288-A346 HydrophobicContact CD2-CB 3.95Å; F288-A346 HydrophobicContact CE1-CB 3.76Å; F288-A346 HydrophobicContact CE2-CB 4.01Å; F288-A346 HydrophobicContact CG-CB 3.81Å; F288-A346 HydrophobicContact CZ-CB 3.92Å; F288-R350 HydrophobicContact CE2-CB 4.05Å; F288-R350 HydrophobicContact CZ-CB 4.24Å
289I91.3Very high90.1Very high71 Ų7141.7 Ų41.736%0.36424%0.235SC..EExtended strand (participates in β ladder)trans-117.3159.1173.655.6172.9000110.3S295 E296 E298I289-S295 WeakPolarHBondContact O-CA 3.34Å; I289-E296 HydrophobicContact CG1-CB 4.14Å; I289-E296 PolarHBondContact N-O 2.81Å; I289-E296 PolarHBondContact O-N 2.9Å; I289-E298 HydrophobicContact CG2-CB 4.02Å; I289-E298 HydrophobicContact CG2-CG 3.94Å
290E88.4Confident89.8Confident120 Ų12045.7 Ų45.756%0.56126%0.26SS*.EExtended strand (participates in β ladder)trans-94120177.5-177.6166.3-134.500111.4Q294E290-Q294 WeakPolarHBondContact CA-O 3.3Å
291A81.9Confident89.4Confident31 Ų3151.7 Ų51.726%0.25629%0.291SS..EExtended strand (participates in β ladder)trans-120.699.4175.200000109N293 Q294 E296A291-N293 PolarHBondContact O-N 2.91Å; A291-Q294 PolarHBondContact N-O 2.8Å; A291-Q294 WeakPolarHBondContact O-CB 3.2Å; A291-Q294 PolarHBondContact O-N 3.3Å; A291-E296 HydrophobicContact CB-CG 3.88Å
292G69.8Low89.2Confident71 Ų7154.1 Ų54.173%0.73230%0.304SS*.THydrogen-bonded Turntrans58.345.8174.900000114.7Q294G292-Q294 PolarHBondContact O-N 2.98Å
293N72.3Confident89Confident133 Ų13354 Ų5471%0.71130%0.304SS*.THydrogen-bonded Turntrans67.96.4-172.4-50.3-8.8000115.3A291A291-N293 PolarHBondContact O-N 2.91Å
294Q81.3Confident88.8Confident92 Ų9256.7 Ų56.743%0.4333%0.326SS..EExtended strand (participates in β ladder)trans-107.2161.6172.8-53.9-174.85.100110.3E290 A291 G292E290-Q294 WeakPolarHBondContact CA-O 3.3Å; A291-Q294 PolarHBondContact N-O 2.8Å; A291-Q294 WeakPolarHBondContact O-CB 3.2Å; A291-Q294 PolarHBondContact O-N 3.3Å; G292-Q294 PolarHBondContact O-N 2.98Å
295S86.1Confident88.7Confident7 Ų761.1 Ų61.15%0.04935%0.345CS..EExtended strand (participates in β ladder)trans-96131174.150.40000111.5I289 T322 L341 A346I289-S295 WeakPolarHBondContact O-CA 3.34Å; S295-T322 WeakPolarHBondContact O-CB 3.38Å; S295-T322 WeakPolarHBondContact O-CG2 3.37Å; S295-L341 WeakPolarHBondContact CB-O 3.25Å; S295-L341 PolarHBondContact N-O 3.5Å; S295-L341 PolarHBondContact OG-O 2.79Å; S295-A346 WeakPolarHBondContact OG-CB 3.44Å
296E88.8Confident88.7Confident106 Ų10660 Ų6050%0.49534%0.339SS..EExtended strand (participates in β ladder)trans-117.6155.5165.7-68.9-178178.500109.2F288 I289 A291F288-E296 CarbonylContact C-O 3.58Å; F288-E296 WeakPolarHBondContact CA-O 3.49Å; I289-E296 HydrophobicContact CG1-CB 4.14Å; I289-E296 PolarHBondContact N-O 2.81Å; I289-E296 PolarHBondContact O-N 2.9Å; A291-E296 HydrophobicContact CB-CG 3.88Å
297V90.6Very high88.6Confident14 Ų1460.1 Ų60.19%0.08534%0.34CS..EExtended strand (participates in β ladder)trans-81.5130.6176.3175.50000108.5I286 F288 S299 L303 Q318 T322I286-V297 HydrophobicContact CG2-CG1 4.04Å; I286-V297 HydrophobicContact CG2-CG2 4.41Å; F288-V297 HydrophobicContact CD1-CG2 3.97Å; F288-V297 HydrophobicContact CE1-CG2 3.78Å; V297-S299 VanDerWaalsContact C-N 3.35Å; V297-S299 WeakPolarHBondContact CG1-O 3.42Å; V297-S299 PolarHBondContact O-N 2.97Å; V297-L303 HydrophobicContact CG1-CD1 4.45Å; V297-L303 HydrophobicContact CG1-CD2 4.25Å; V297-L303 HydrophobicContact CG1-CG 4.3Å; V297-L303 HydrophobicContact CG2-CD2 4.45Å; V297-Q318 HydrophobicContact CG2-CG 3.99Å; V297-T322 HydrophobicContact CG2-CG2 4.15Å
298E90.3Very high88.8Confident123 Ų12366.1 Ų66.158%0.57536%0.359SS*.SBendtrans-64.3-37.3-174.2-171.4178.2-155.500113S287 I289S287-E298 WeakPolarHBondContact CB-OE2 3.42Å; S287-E298 PolarHBondContact O-N 2.79Å; S287-E298 WeakPolarHBondContact OG-CB 3.33Å; S287-E298 PolarHBondContact OG-OE2 2.9Å; I289-E298 HydrophobicContact CG2-CB 4.02Å; I289-E298 HydrophobicContact CG2-CG 3.94Å
299S90.8Very high88.9Confident36 Ų3665.8 Ų65.825%0.25236%0.357SS..  trans-140.9120174.6171.90000110.5V297 D301 L302V297-S299 VanDerWaalsContact C-N 3.35Å; V297-S299 WeakPolarHBondContact CG1-O 3.42Å; V297-S299 PolarHBondContact O-N 2.97Å; S299-D301 PolarHBondContact O-N 3.05Å; S299-D301 PolarHBondContact OG-N 3.19Å; S299-L302 PolarHBondContact O-N 3.29Å
300T90.3Very high89.2Confident84 Ų8462.4 Ų62.452%0.51534%0.34SS..G310 helixtrans-67.7-22.217644.80000112.8L302 L303T300-L302 VanDerWaalsContact C-N 3.26Å; T300-L302 PolarHBondContact O-N 2.69Å; T300-L303 HydrophobicContact CG2-CD1 4.33Å; T300-L303 VanDerWaalsContact O-CB 3.28Å; T300-L303 WeakPolarHBondContact O-CB 3.33Å; T300-L303 PolarHBondContact O-N 3.04Å; T300-L303 VanDerWaalsContact O-N 3.12Å
301D90.7Very high89.5Confident125 Ų12557.1 Ų57.167%0.66832%0.318SS*.G310 helixtrans-64.1-32.9176.2-59.6-42.1000111.8S299 L303 A304S299-D301 PolarHBondContact O-N 3.05Å; S299-D301 PolarHBondContact OG-N 3.19Å; D301-L303 PolarHBondContact O-N 2.97Å; D301-A304 WeakPolarHBondContact O-CB 3.18Å; D301-A304 PolarHBondContact O-N 3.37Å
302L91.9Very high90.2Very high52 Ų5256.1 Ų56.127%0.27231%0.308SS..G310 helixtrans-68.5-12.5177.1-59.9176.4000113.1N285 S299 T300 P306N285-L302 WeakPolarHBondContact O-CD1 3.38Å; S299-L302 PolarHBondContact O-N 3.29Å; T300-L302 VanDerWaalsContact C-N 3.26Å; T300-L302 PolarHBondContact O-N 2.69Å; L302-P306 WeakPolarHBondContact O-CD 3.44Å; L302-P306 VanDerWaalsContact O-CG 3.28Å; L302-P306 WeakPolarHBondContact O-CG 3.45Å
303L93.5Very high91.4Very high4 Ų456.6 Ų56.62%0.02129%0.294CS..G310 helixtrans-79.5-23.7171.8-56.3171000112.4I286 V297 T300 D301 P306 A307 P314 L317 Q318I286-L303 HydrophobicContact CD1-CD2 3.84Å; I286-L303 HydrophobicContact CG1-CD2 4.21Å; I286-L303 HydrophobicContact CG2-CD2 4.19Å; V297-L303 HydrophobicContact CG1-CD1 4.45Å; V297-L303 HydrophobicContact CG1-CD2 4.25Å; V297-L303 HydrophobicContact CG1-CG 4.3Å; V297-L303 HydrophobicContact CG2-CD2 4.45Å; T300-L303 HydrophobicContact CG2-CD1 4.33Å; T300-L303 VanDerWaalsContact O-CB 3.28Å; T300-L303 WeakPolarHBondContact O-CB 3.33Å; T300-L303 PolarHBondContact O-N 3.04Å; T300-L303 VanDerWaalsContact O-N 3.12Å; D301-L303 PolarHBondContact O-N 2.97Å; L303-P306 VanDerWaalsContact O-CD 3.3Å; L303-P306 WeakPolarHBondContact O-CD 3.43Å; L303-P306 WeakPolarHBondContact O-CG 3.49Å; L303-A307 WeakPolarHBondContact O-CB 3.48Å; L303-A307 PolarHBondContact O-N 3.28Å; L303-P314 HydrophobicContact CB-CB 4.33Å; L303-L317 HydrophobicContact CD2-CD2 4.21Å; L303-L317 HydrophobicContact CD2-CG 4.36Å; L303-Q318 HydrophobicContact CD1-CB 3.83Å; L303-Q318 HydrophobicContact CD1-CG 4.27Å
304A93.4Very high92.5Very high55 Ų5552.9 Ų52.946%0.45528%0.277SS..Hα-helixtrans-66.4-48.2-169.100000113.2D301 Y308D301-A304 WeakPolarHBondContact O-CB 3.18Å; D301-A304 PolarHBondContact O-N 3.37Å; A304-Y308 VanDerWaalsContact O-CB 3.28Å; A304-Y308 WeakPolarHBondContact O-CB 3.31Å; A304-Y308 PolarHBondContact O-N 2.86Å
305F93.1Very high93.1Very high93 Ų9352.2 Ų52.241%0.40828%0.279SS..Hα-helixtrans-62.7-51.1176.6-87.8-77.3000114H282 A307 Y308 L309H282-F305 HydrophobicContact CB-CB 4.23Å; H282-F305 AromaticContact CE1-CG 3.96Å; F305-A307 VanDerWaalsContact C-N 3.32Å; F305-A307 PolarHBondContact O-N 3.47Å; F305-Y308 PolarHBondContact O-N 2.97Å; F305-L309 WeakPolarHBondContact O-CB 3.27Å; F305-L309 VanDerWaalsContact O-CG 3.25Å; F305-L309 WeakPolarHBondContact O-CG 3.49Å; F305-L309 PolarHBondContact O-N 2.84Å
306P95.3Very high93.4Very high0 Ų056.5 Ų56.50%029%0.294CS..Hα-helixtrans-67.4-32.3178.524.6-30.2000112.3H282 L283 I286 L302 L303 L310 L317H282-P306 HydrophobicContact CB-CB 4.24Å; H282-P306 HydrophobicContact CB-CG 4.38Å; L283-P306 HydrophobicContact CD2-CB 3.79Å; L283-P306 HydrophobicContact CD2-CG 4.41Å; L283-P306 HydrophobicContact CG-CB 3.86Å; I286-P306 HydrophobicContact CD1-CG 4.06Å; L302-P306 WeakPolarHBondContact O-CD 3.44Å; L302-P306 VanDerWaalsContact O-CG 3.28Å; L302-P306 WeakPolarHBondContact O-CG 3.45Å; L303-P306 VanDerWaalsContact O-CD 3.3Å; L303-P306 WeakPolarHBondContact O-CD 3.43Å; L303-P306 WeakPolarHBondContact O-CG 3.49Å; P306-L310 VanDerWaalsContact O-CB 3.25Å; P306-L310 WeakPolarHBondContact O-CB 3.46Å; P306-L310 VanDerWaalsContact O-CG 3.28Å; P306-L310 WeakPolarHBondContact O-CG 3.14Å; P306-L310 PolarHBondContact O-N 3.1Å; P306-L317 HydrophobicContact CB-CD2 4.45Å; P306-L317 HydrophobicContact CG-CD2 4.25Å
307A95.3Very high93.6Very high3 Ų351.4 Ų51.43%0.02527%0.271CS..Hα-helixtrans-63.4-49.2172.500000112L303 F305 L310 G311 I312 P314 L317L303-A307 WeakPolarHBondContact O-CB 3.48Å; L303-A307 PolarHBondContact O-N 3.28Å; F305-A307 VanDerWaalsContact C-N 3.32Å; F305-A307 PolarHBondContact O-N 3.47Å; A307-L310 PolarHBondContact O-N 3Å; A307-G311 WeakPolarHBondContact O-CA 3.45Å; A307-G311 PolarHBondContact O-N 3.42Å; A307-I312 HydrophobicContact CB-CG1 4.34Å; A307-I312 WeakPolarHBondContact CB-O 3.47Å; A307-I312 PolarHBondContact O-N 3Å; A307-P314 HydrophobicContact CB-CB 3.78Å; A307-L317 HydrophobicContact CB-CD2 4.31Å
308Y95.9Very high93.8Very high160 Ų16053.3 Ų53.363%0.62728%0.279SS*.Hα-helixtrans-59.6-50.1175.8173.2-108.5000112.4A304 F305 L310 G311A304-Y308 VanDerWaalsContact O-CB 3.28Å; A304-Y308 WeakPolarHBondContact O-CB 3.31Å; A304-Y308 PolarHBondContact O-N 2.86Å; F305-Y308 PolarHBondContact O-N 2.97Å; Y308-L310 VanDerWaalsContact C-N 3.34Å; Y308-L310 PolarHBondContact O-N 3.1Å; Y308-G311 PolarHBondContact O-N 3.2Å; Y308-G311 VanDerWaalsContact O-N 3.15Å
309L96.5Very high93.8Very high1 Ų151.6 Ų51.61%0.00527%0.274CS..Hα-helixtrans-69.1-29.8-177.1-66.6171.1000112.7L225 Q275 A278 H282 F305L225-L309 HydrophobicContact CD2-CD2 3.9Å; Q275-L309 HydrophobicContact CG-CB 4.23Å; Q275-L309 HydrophobicContact CG-CD2 3.82Å; Q275-L309 WeakPolarHBondContact CG-O 3.28Å; Q275-L309 PolarHBondContact NE2-O 3.22Å; A278-L309 HydrophobicContact CB-CD1 4.08Å; H282-L309 VanDerWaalsContact CD2-CD1 3.44Å; H282-L309 WeakPolarHBondContact CD2-CD1 3.24Å; F305-L309 WeakPolarHBondContact O-CB 3.27Å; F305-L309 VanDerWaalsContact O-CG 3.25Å; F305-L309 WeakPolarHBondContact O-CG 3.49Å; F305-L309 PolarHBondContact O-N 2.84Å
310L96.6Very high93.8Very high0 Ų051.1 Ų51.10%027%0.267CS..Hα-helixtrans-91.8-3.9174-59.4174.4000113.2L283 P306 A307 Y308 I312 L357 M532 S535 I540L283-L310 HydrophobicContact CD1-CD1 3.87Å; L283-L310 HydrophobicContact CG-CD1 4.24Å; P306-L310 VanDerWaalsContact O-CB 3.25Å; P306-L310 WeakPolarHBondContact O-CB 3.46Å; P306-L310 VanDerWaalsContact O-CG 3.28Å; P306-L310 WeakPolarHBondContact O-CG 3.14Å; P306-L310 PolarHBondContact O-N 3.1Å; A307-L310 PolarHBondContact O-N 3Å; Y308-L310 VanDerWaalsContact C-N 3.34Å; Y308-L310 PolarHBondContact O-N 3.1Å; L310-I312 HydrophobicContact CB-CD1 4.03Å; L310-I312 HydrophobicContact CB-CG1 4.12Å; L310-I312 HydrophobicContact CD1-CD1 4.31Å; L310-L357 HydrophobicContact CD1-CD1 3.93Å; L310-L357 HydrophobicContact CD2-CD1 4.07Å; L310-L357 HydrophobicContact CD2-CD2 4.41Å; L310-M532 HydrophobicContact CD1-CE 4.25Å; L310-S535 WeakPolarHBondContact O-CB 3.49Å; L310-S535 PolarHBondContact O-OG 3.06Å; L310-I540 HydrophobicContact CB-CD1 4.36Å; L310-I540 HydrophobicContact CD2-CD1 4.03Å; L310-I540 WeakPolarHBondContact O-CD1 3.39Å
311G95.9Very high93.9Very high9 Ų947.1 Ų47.19%0.09324%0.242CC..THydrogen-bonded Turntrans62.937.4179.600000113.6A307 Y308 S535 E536 F537A307-G311 WeakPolarHBondContact O-CA 3.45Å; A307-G311 PolarHBondContact O-N 3.42Å; Y308-G311 PolarHBondContact O-N 3.2Å; Y308-G311 VanDerWaalsContact O-N 3.15Å; G311-S535 CarbonylContact O-C 3.58Å; G311-S535 VanDerWaalsContact O-CA 3.27Å; G311-S535 WeakPolarHBondContact O-CA 3.27Å; G311-E536 PolarHBondContact O-N 3.35Å; G311-F537 VanDerWaalsContact CA-CE2 3.46Å
312I96.4Very high93.9Very high11 Ų1142.1 Ų42.16%0.05622%0.216CC..  trans-119.4158-176.958.3-177.1000110.7A307 L310 L317 L531 M532A307-I312 HydrophobicContact CB-CG1 4.34Å; A307-I312 WeakPolarHBondContact CB-O 3.47Å; A307-I312 PolarHBondContact O-N 3Å; L310-I312 HydrophobicContact CB-CD1 4.03Å; L310-I312 HydrophobicContact CB-CG1 4.12Å; L310-I312 HydrophobicContact CD1-CD1 4.31Å; I312-L317 HydrophobicContact CD1-CB 4.11Å; I312-L317 HydrophobicContact CD1-CD1 3.98Å; I312-L317 HydrophobicContact CD1-CD2 4.27Å; I312-L317 HydrophobicContact CD1-CG 4.34Å; I312-L531 HydrophobicContact CD1-CD1 4.35Å; I312-L531 HydrophobicContact CD1-CD2 4.25Å; I312-L531 HydrophobicContact CD1-CG 4.22Å; I312-M532 HydrophobicContact CD1-CE 3.7Å; I312-M532 HydrophobicContact CG2-CE 4.31Å
313D95.6Very high93.7Very high80 Ų8040.7 Ų40.743%0.42821%0.211SC..  trans-68.3131173.7179.8-92.7000111.2T315 R316 L317D313-T315 PolarHBondContact O-N 2.95Å; D313-T315 VanDerWaalsContact OD1-CA 3.31Å; D313-T315 WeakPolarHBondContact OD1-CA 3.46Å; D313-T315 WeakPolarHBondContact OD1-CB 3.5Å; D313-T315 PolarHBondContact OD1-N 3.22Å; D313-T315 PolarHBondContact OD1-OG1 3.37Å; D313-R316 HydrophobicContact CB-CB 3.96Å; D313-R316 PolarHBondContact O-N 3.31Å; D313-R316 PolarHBondContact OD1-N 3.08Å; D313-L317 PolarHBondContact O-N 2.98Å
314P94.1Very high93.2Very high55 Ų5542.3 Ų42.336%0.35722%0.217SC..Hα-helixtrans-68.7-32.5-177.226.5-34.2000113.2L303 A307 L317 Q318L303-P314 HydrophobicContact CB-CB 4.33Å; A307-P314 HydrophobicContact CB-CB 3.78Å; P314-L317 WeakPolarHBondContact O-CB 3.4Å; P314-L317 PolarHBondContact O-N 2.97Å; P314-Q318 PolarHBondContact O-N 3.01Å
315T93.4Very high92.5Very high78 Ų7845 Ų4548%0.47922%0.218SC..Hα-helixtrans-63.7-47.1173.3-13.50000110.2D313 L317 Q318 D319D313-T315 PolarHBondContact O-N 2.95Å; D313-T315 VanDerWaalsContact OD1-CA 3.31Å; D313-T315 WeakPolarHBondContact OD1-CA 3.46Å; D313-T315 WeakPolarHBondContact OD1-CB 3.5Å; D313-T315 PolarHBondContact OD1-N 3.22Å; D313-T315 PolarHBondContact OD1-OG1 3.37Å; T315-L317 VanDerWaalsContact C-N 3.29Å; T315-L317 PolarHBondContact O-N 2.66Å; T315-Q318 WeakPolarHBondContact O-CB 3.25Å; T315-Q318 PolarHBondContact O-N 3.11Å; T315-Q318 VanDerWaalsContact O-N 3.13Å; T315-D319 PolarHBondContact O-N 2.67Å
316R92.7Very high91.5Very high97 Ų9744.6 Ų44.637%0.36622%0.218SC..Hα-helixtrans-66.6-30.9177.6-157.3-179.5-172.5169.31.7112.2D313 K320 E530 L531 S534D313-R316 HydrophobicContact CB-CB 3.96Å; D313-R316 PolarHBondContact O-N 3.31Å; D313-R316 PolarHBondContact OD1-N 3.08Å; R316-K320 WeakPolarHBondContact O-CB 3.3Å; R316-K320 WeakPolarHBondContact O-CG 3.32Å; R316-K320 PolarHBondContact O-N 3.46Å; R316-E530 IonicContact CZ-OE1 2.63Å; R316-E530 IonicContact NE-OE1 3.29Å; R316-E530 IonicContact NH2-OE1 3.68Å; R316-E530 PolarHBondContact NH2-OE1 2.92Å; R316-L531 HydrophobicContact CB-CD1 4.11Å; R316-L531 HydrophobicContact CG-CD1 3.91Å; R316-S534 VanDerWaalsContact NH1-CB 3.29Å
317L93.9Very high90.3Very high0 Ų050.1 Ų50.10%025%0.248CC..Hα-helixtrans-64.2-48.5169.2175.261.7000110.9L283 I286 L303 P306 A307 I312 D313 P314 T315 K320 L321 L353 L531L283-L317 HydrophobicContact CD2-CD1 4.18Å; L283-L317 HydrophobicContact CD2-CD2 4.47Å; I286-L317 HydrophobicContact CD1-CD2 4.43Å; L303-L317 HydrophobicContact CD2-CD2 4.21Å; L303-L317 HydrophobicContact CD2-CG 4.36Å; P306-L317 HydrophobicContact CB-CD2 4.45Å; P306-L317 HydrophobicContact CG-CD2 4.25Å; A307-L317 HydrophobicContact CB-CD2 4.31Å; I312-L317 HydrophobicContact CD1-CB 4.11Å; I312-L317 HydrophobicContact CD1-CD1 3.98Å; I312-L317 HydrophobicContact CD1-CD2 4.27Å; I312-L317 HydrophobicContact CD1-CG 4.34Å; D313-L317 PolarHBondContact O-N 2.98Å; P314-L317 WeakPolarHBondContact O-CB 3.4Å; P314-L317 PolarHBondContact O-N 2.97Å; T315-L317 VanDerWaalsContact C-N 3.29Å; T315-L317 PolarHBondContact O-N 2.66Å; L317-K320 PolarHBondContact O-N 3.19Å; L317-L321 HydrophobicContact CD1-CD1 3.74Å; L317-L321 HydrophobicContact CD1-CG 4.11Å; L317-L321 HydrophobicContact CG-CD1 3.99Å; L317-L321 WeakPolarHBondContact O-CB 3.42Å; L317-L321 VanDerWaalsContact O-CG 3.23Å; L317-L321 WeakPolarHBondContact O-CG 3.48Å; L317-L321 PolarHBondContact O-N 3.28Å; L317-L321 VanDerWaalsContact O-N 3.14Å; L317-L353 HydrophobicContact CD1-CD2 4.38Å; L317-L531 HydrophobicContact CD1-CD2 3.86Å
318Q93.5Very high88.7Confident53 Ų5352.6 Ų52.625%0.24827%0.265CS..Hα-helixtrans-57.5-55.5175.9-176.4169.1-5.700111.7V297 L303 P314 T315 K320 L321 T322V297-Q318 HydrophobicContact CG2-CG 3.99Å; L303-Q318 HydrophobicContact CD1-CB 3.83Å; L303-Q318 HydrophobicContact CD1-CG 4.27Å; P314-Q318 PolarHBondContact O-N 3.01Å; T315-Q318 WeakPolarHBondContact O-CB 3.25Å; T315-Q318 PolarHBondContact O-N 3.11Å; T315-Q318 VanDerWaalsContact O-N 3.13Å; Q318-K320 VanDerWaalsContact C-N 3.28Å; Q318-K320 PolarHBondContact O-N 3.36Å; Q318-L321 PolarHBondContact O-N 3.39Å; Q318-T322 PolarHBondContact O-N 3.28Å; Q318-T322 PolarHBondContact O-OG1 3.12Å
319D91.2Very high86.9Confident88 Ų8852.3 Ų52.347%0.47127%0.267SS..Hα-helixtrans-53.8-41.9-178.6-73.6-14.8000112.8T315 S323T315-D319 PolarHBondContact O-N 2.67Å; D319-S323 WeakPolarHBondContact O-CA 3.31Å; D319-S323 WeakPolarHBondContact O-CB 3.31Å; D319-S323 PolarHBondContact O-N 3.46Å; D319-S323 PolarHBondContact O-OG 2.84Å
320K91.1Very high84.5Confident25 Ų2562.8 Ų62.811%0.10931%0.307CS..Hα-helixtrans-85.1-7.6-178.1-61.8-61-143.4-179.20113.7R316 L317 Q318 T349 D527 E530 L531R316-K320 WeakPolarHBondContact O-CB 3.3Å; R316-K320 WeakPolarHBondContact O-CG 3.32Å; R316-K320 PolarHBondContact O-N 3.46Å; L317-K320 PolarHBondContact O-N 3.19Å; Q318-K320 VanDerWaalsContact C-N 3.28Å; Q318-K320 PolarHBondContact O-N 3.36Å; K320-T349 WeakPolarHBondContact O-CG2 3.29Å; K320-D527 HydrophobicContact CD-CB 4Å; K320-D527 IonicContact NZ-OD1 2.57Å; K320-D527 PolarHBondContact NZ-OD1 2.83Å; K320-E530 WeakPolarHBondContact CE-OE2 3.41Å; K320-E530 IonicContact NZ-OE1 2.78Å; K320-E530 IonicContact NZ-OE2 3.71Å; K320-E530 PolarHBondContact NZ-OE2 3.31Å; K320-L531 HydrophobicContact CB-CD2 4.2Å; K320-L531 HydrophobicContact CG-CB 4.45Å; K320-L531 HydrophobicContact CG-CD1 4.4Å
321L91Very high82.5Confident0 Ų066.5 Ų66.50%035%0.345CS..Hα-helixtrans-91.8-37.5169.8-73.8175.6000111.9I286 F288 L317 Q318 A346 T349 R350I286-L321 HydrophobicContact CD1-CD1 3.92Å; I286-L321 HydrophobicContact CG2-CD1 4.43Å; F288-L321 HydrophobicContact CE1-CB 4.09Å; F288-L321 HydrophobicContact CZ-CB 4.06Å; F288-L321 HydrophobicContact CZ-CD1 4.29Å; L317-L321 HydrophobicContact CD1-CD1 3.74Å; L317-L321 HydrophobicContact CD1-CG 4.11Å; L317-L321 HydrophobicContact CG-CD1 3.99Å; L317-L321 WeakPolarHBondContact O-CB 3.42Å; L317-L321 VanDerWaalsContact O-CG 3.23Å; L317-L321 WeakPolarHBondContact O-CG 3.48Å; L317-L321 PolarHBondContact O-N 3.28Å; L317-L321 VanDerWaalsContact O-N 3.14Å; Q318-L321 PolarHBondContact O-N 3.39Å; L321-A346 WeakPolarHBondContact O-CA 3.28Å; L321-A346 WeakPolarHBondContact O-CB 3.19Å; L321-T349 HydrophobicContact CD2-CG2 4.3Å; L321-R350 HydrophobicContact CD2-CB 3.96Å
322T90.8Very high80.8Confident20 Ų2070 Ų7012%0.12338%0.38CS..Hα-helixtrans-96.9-11-17961.80000114.2F288 S295 V297 Q318 L341F288-T322 HydrophobicContact CD1-CG2 4.2Å; F288-T322 HydrophobicContact CE1-CG2 4.09Å; S295-T322 WeakPolarHBondContact O-CB 3.38Å; S295-T322 WeakPolarHBondContact O-CG2 3.37Å; V297-T322 HydrophobicContact CG2-CG2 4.15Å; Q318-T322 PolarHBondContact O-N 3.28Å; Q318-T322 PolarHBondContact O-OG1 3.12Å; T322-L341 WeakPolarHBondContact O-CB 2.93Å; T322-L341 PolarHBondContact O-N 3.21Å
323S87.9Confident78.9Confident23 Ų2376.3 Ų76.316%0.16141%0.408CS..EExtended strand (participates in β ladder)trans-135.9160.217684.10000113.3D319 V339D319-S323 WeakPolarHBondContact O-CA 3.31Å; D319-S323 WeakPolarHBondContact O-CB 3.31Å; D319-S323 PolarHBondContact O-N 3.46Å; D319-S323 PolarHBondContact O-OG 2.84Å; S323-V339 CarbonylContact C-O 3.55Å; S323-V339 WeakPolarHBondContact CA-O 3.38Å
324R83.3Confident77.3Confident37 Ų3776.2 Ų76.214%0.1441%0.413CS..EExtended strand (participates in β ladder)trans-140.4139.8179.3-169.4177.2-61.5145.86.4111.3V339 L341 T349 F525 D527R324-V339 PolarHBondContact N-O 3.34Å; R324-V339 PolarHBondContact O-N 2.93Å; R324-L341 HydrophobicContact CB-CD1 4.47Å; R324-L341 HydrophobicContact CB-CD2 3.99Å; R324-L341 HydrophobicContact CB-CG 4.45Å; R324-T349 PolarHBondContact NH2-OG1 2.57Å; R324-F525 VanDerWaalsContact CZ-CE2 3.48Å; R324-F525 VanDerWaalsContact CZ-CZ 3.47Å; R324-F525 VanDerWaalsContact NH2-CE2 3.34Å; R324-D527 VanDerWaalsContact CG-OD2 3.32Å; R324-D527 WeakPolarHBondContact CG-OD2 3.44Å
325K79.4Confident76.2Confident111 Ų11179.2 Ų79.248%0.48342%0.422SS..EExtended strand (participates in β ladder)trans-85.6122176.5-170.7168.6177.5176.70110.2S336 D527K325-S336 WeakPolarHBondContact CE-OG 3.49Å; K325-S336 WeakPolarHBondContact CG-OG 3.45Å; K325-D527 WeakPolarHBondContact CB-OD1 3.34Å; K325-D527 PolarHBondContact N-OD2 3.26Å
326M72.7Confident75.2Confident85 Ų8578.2 Ų78.242%0.41942%0.419SS..EExtended strand (participates in β ladder)trans-119.1120.9-179.1-63.9-161.6-173.900111.4S328 I337 V339M326-S328 PolarHBondContact O-N 3.41Å; M326-I337 PolarHBondContact N-O 3.4Å; M326-I337 PolarHBondContact O-N 2.93Å; M326-V339 HydrophobicContact CB-CG2 4.23Å; M326-V339 HydrophobicContact CE-CB 4.34Å; M326-V339 HydrophobicContact CE-CG1 4.46Å; M326-V339 HydrophobicContact CG-CG2 4.02Å; M326-V339 HydrophobicContact SD-CB 4.44Å; M326-V339 HydrophobicContact SD-CG2 4Å
327D69.6Low74.6Confident117 Ų11777.9 Ų77.963%0.62642%0.424SS*.EExtended strand (participates in β ladder)trans-83.799.6172.9-65.8-30.1000110.4S336D327-S336 WeakPolarHBondContact OD1-CB 3.45Å; D327-S336 PolarHBondContact OD1-OG 3.39Å
328S62.2Low73.8Confident54 Ų5483.4 Ų83.438%0.37845%0.453SS..EExtended strand (participates in β ladder)trans-79.4128.8173.7-172.70000110.6M326 S334 E335M326-S328 PolarHBondContact O-N 3.41Å; S328-S334 WeakPolarHBondContact O-CA 3.32Å; S328-E335 PolarHBondContact N-O 3.33Å; S328-E335 PolarHBondContact O-N 3.1Å
329K57Low73.4Confident154 Ų15483.4 Ų83.467%0.6746%0.457SS*.  trans-111.782.1174.9-66.6-165.4179.1-170.10110.8K333 S334K329-K333 WeakPolarHBondContact CA-O 3.32Å; K329-S334 VanDerWaalsContact CE-OG 3.27Å; K329-S334 WeakPolarHBondContact CE-OG 3.4Å
330W47.2Very low73.1Confident222 Ų22282.5 Ų82.584%0.84145%0.454SS*.  trans-108.2134.9176.2-165.8-87.7000110.6G332 K333W330-G332 PolarHBondContact O-N 3.1Å; W330-G332 VanDerWaalsContact O-N 3.09Å; W330-K333 PolarHBondContact N-O 2.82Å; W330-K333 PolarHBondContact O-N 3Å
331G54.5Low72.9Confident78 Ų7881.3 Ų81.380%0.80445%0.449SS*.THydrogen-bonded Turntrans59.922.1174.900000116.1K333G331-K333 VanDerWaalsContact C-N 3.29Å; G331-K333 PolarHBondContact O-N 3.19Å
332G59Low72.7Confident81 Ų8183.7 Ų83.784%0.83546%0.462SS*.THydrogen-bonded Turntrans83.2-6.4-179.500000115.4W330W330-G332 PolarHBondContact O-N 3.1Å; W330-G332 VanDerWaalsContact O-N 3.09Å
333K56Low72.4Confident145 Ų14587 Ų8763%0.6348%0.476SS*.  trans-85.4157.7164.5-70-177.1178.4-179.70110.1K329 W330 G331K329-K333 WeakPolarHBondContact CA-O 3.32Å; W330-K333 PolarHBondContact N-O 2.82Å; W330-K333 PolarHBondContact O-N 3Å; G331-K333 VanDerWaalsContact C-N 3.29Å; G331-K333 PolarHBondContact O-N 3.19Å
334S62.8Low72.2Confident78 Ų7890.6 Ų90.655%0.54549%0.49SS..  trans-117.4116169.2-54.70000107.6S328 K329S328-S334 WeakPolarHBondContact O-CA 3.32Å; K329-S334 VanDerWaalsContact CE-OG 3.27Å; K329-S334 WeakPolarHBondContact CE-OG 3.4Å
335E72Confident72.1Confident117 Ų11792.4 Ų92.455%0.54750%0.5SS..EExtended strand (participates in β ladder)trans-119.1131.7179.9-70.1178.3-174.600108.8S328S328-E335 PolarHBondContact N-O 3.33Å; S328-E335 PolarHBondContact O-N 3.1Å
336S72.2Confident72.5Confident58 Ų5887.1 Ų87.141%0.40648%0.477SS..EExtended strand (participates in β ladder)trans-105.6115.9-172.2-157.20000109.5K325 D327K325-S336 WeakPolarHBondContact CE-OG 3.49Å; K325-S336 WeakPolarHBondContact CG-OG 3.45Å; D327-S336 WeakPolarHBondContact OD1-CB 3.45Å; D327-S336 PolarHBondContact OD1-OG 3.39Å
337I79.1Confident73.3Confident90 Ų9085.2 Ų85.246%0.46247%0.47SS..EExtended strand (participates in β ladder)trans-119.5129.8-170-55.5176000108.7M326 V339M326-I337 PolarHBondContact N-O 3.4Å; M326-I337 PolarHBondContact O-N 2.93Å; I337-V339 HydrophobicContact CG2-CG2 4.28Å
338N78.1Confident73.9Confident115 Ų11584 Ų8462%0.61546%0.457SS*.EExtended strand (participates in β ladder)trans-79122.2168.1-71.9-0.6000108.9
339V83.6Confident75.1Confident54 Ų5481.5 Ų81.533%0.32744%0.44SS..EExtended strand (participates in β ladder)trans-111.4123.2-179.4-178.20000108.6S323 R324 M326 I337S323-V339 CarbonylContact C-O 3.55Å; S323-V339 WeakPolarHBondContact CA-O 3.38Å; R324-V339 PolarHBondContact N-O 3.34Å; R324-V339 PolarHBondContact O-N 2.93Å; M326-V339 HydrophobicContact CB-CG2 4.23Å; M326-V339 HydrophobicContact CE-CB 4.34Å; M326-V339 HydrophobicContact CE-CG1 4.46Å; M326-V339 HydrophobicContact CG-CG2 4.02Å; M326-V339 HydrophobicContact SD-CB 4.44Å; M326-V339 HydrophobicContact SD-CG2 4Å; I337-V339 HydrophobicContact CG2-CG2 4.28Å
340T86Confident76.8Confident68 Ų6874.7 Ų74.742%0.41741%0.41SS..EExtended strand (participates in β ladder)trans-69133.217250.60000110.2
341L86.2Confident78.8Confident1 Ų165 Ų651%0.00538%0.375CS..PPolyproline II helixtrans-87.8154.8-179.5-58.5-178.1000110.4S295 T322 R324 Q345S295-L341 WeakPolarHBondContact CB-O 3.25Å; S295-L341 PolarHBondContact N-O 3.5Å; S295-L341 PolarHBondContact OG-O 2.79Å; T322-L341 WeakPolarHBondContact O-CB 2.93Å; T322-L341 PolarHBondContact O-N 3.21Å; R324-L341 HydrophobicContact CB-CD1 4.47Å; R324-L341 HydrophobicContact CB-CD2 3.99Å; R324-L341 HydrophobicContact CB-CG 4.45Å; L341-Q345 HydrophobicContact CB-CB 3.82Å; L341-Q345 HydrophobicContact CD1-CB 4.42Å; L341-Q345 HydrophobicContact CD2-CB 4.23Å; L341-Q345 HydrophobicContact CG-CB 4.37Å
342N86.2Confident80.4Confident49 Ų4962.3 Ų62.326%0.26235%0.345SS..PPolyproline II helixtrans-82.6171.3167.476.1-8.6000111.4E344 Q345 A346N342-E344 VanDerWaalsContact C-N 3.28Å; N342-E344 PolarHBondContact O-N 2.86Å; N342-Q345 PolarHBondContact O-N 2.85Å; N342-Q345 VanDerWaalsContact O-N 3.12Å; N342-Q345 WeakPolarHBondContact OD1-CB 3.34Å; N342-Q345 VanDerWaalsContact OD1-CD 3.23Å; N342-Q345 WeakPolarHBondContact OD1-CG 3.47Å; N342-Q345 PolarHBondContact OD1-N 3.22Å; N342-A346 PolarHBondContact O-N 3.35Å
343Q86.3Confident82Confident91 Ų9158.4 Ų58.443%0.42531%0.305SS..Hα-helixtrans-52.2-43.8-177-169.3-165.632.300113F288 T347F288-Q343 HydrophobicContact CB-CG 3.95Å; F288-Q343 WeakPolarHBondContact O-CG 3.19Å; F288-Q343 PolarHBondContact O-NE2 2.68Å; Q343-T347 WeakPolarHBondContact O-CB 3.41Å; Q343-T347 PolarHBondContact O-N 3.16Å; Q343-T347 PolarHBondContact O-OG1 3.39Å
344E82Confident83.8Confident97 Ų9751.5 Ų51.545%0.45328%0.275SS..Hα-helixtrans-63.1-49178.4-155.1-155.9169.100111.2N342 A346 T347 Y348N342-E344 VanDerWaalsContact C-N 3.28Å; N342-E344 PolarHBondContact O-N 2.86Å; E344-A346 PolarHBondContact O-N 3.31Å; E344-T347 WeakPolarHBondContact O-CB 3.34Å; E344-T347 PolarHBondContact O-N 2.71Å; E344-Y348 HydrophobicContact CB-CE2 4.44Å; E344-Y348 HydrophobicContact CG-CD2 4.21Å; E344-Y348 HydrophobicContact CG-CE2 3.51Å; E344-Y348 WeakPolarHBondContact O-CD2 3.49Å; E344-Y348 PolarHBondContact O-N 3.12Å; E344-Y348 WeakPolarHBondContact OE1-CE2 3.11Å; E344-Y348 PolarHBondContact OE1-OH 2.7Å
345Q82.4Confident85.2Confident76 Ų7649.5 Ų49.536%0.35526%0.256SS..Hα-helixtrans-66.1-34.2179.4-72.1164.717.300113.3L341 N342 T349L341-Q345 HydrophobicContact CB-CB 3.82Å; L341-Q345 HydrophobicContact CD1-CB 4.42Å; L341-Q345 HydrophobicContact CD2-CB 4.23Å; L341-Q345 HydrophobicContact CG-CB 4.37Å; N342-Q345 PolarHBondContact O-N 2.85Å; N342-Q345 VanDerWaalsContact O-N 3.12Å; N342-Q345 WeakPolarHBondContact OD1-CB 3.34Å; N342-Q345 VanDerWaalsContact OD1-CD 3.23Å; N342-Q345 WeakPolarHBondContact OD1-CG 3.47Å; N342-Q345 PolarHBondContact OD1-N 3.22Å; Q345-T349 WeakPolarHBondContact O-CB 3.48Å; Q345-T349 PolarHBondContact O-N 3.16Å; Q345-T349 PolarHBondContact O-OG1 2.9Å
346A88Confident86.1Confident0 Ų044.4 Ų44.40%023%0.234CC..Hα-helixtrans-68.1-43.4173.400000111.2F288 S295 L321 N342 E344 Y348 T349 R350F288-A346 HydrophobicContact CD1-CB 3.71Å; F288-A346 HydrophobicContact CD2-CB 3.95Å; F288-A346 HydrophobicContact CE1-CB 3.76Å; F288-A346 HydrophobicContact CE2-CB 4.01Å; F288-A346 HydrophobicContact CG-CB 3.81Å; F288-A346 HydrophobicContact CZ-CB 3.92Å; S295-A346 WeakPolarHBondContact OG-CB 3.44Å; L321-A346 WeakPolarHBondContact O-CA 3.28Å; L321-A346 WeakPolarHBondContact O-CB 3.19Å; N342-A346 PolarHBondContact O-N 3.35Å; E344-A346 PolarHBondContact O-N 3.31Å; A346-Y348 PolarHBondContact O-N 2.9Å; A346-T349 WeakPolarHBondContact O-CA 3.36Å; A346-T349 WeakPolarHBondContact O-CB 3.43Å; A346-T349 PolarHBondContact O-N 3.05Å; A346-R350 PolarHBondContact O-N 3.28Å
347T88.4Confident87.2Confident44 Ų4441.6 Ų41.627%0.2722%0.215SC..Hα-helixtrans-58.3-47.5173.2-53.80000111.4Q343 E344 T349 R350 D351Q343-T347 WeakPolarHBondContact O-CB 3.41Å; Q343-T347 PolarHBondContact O-N 3.16Å; Q343-T347 PolarHBondContact O-OG1 3.39Å; E344-T347 WeakPolarHBondContact O-CB 3.34Å; E344-T347 PolarHBondContact O-N 2.71Å; T347-T349 VanDerWaalsContact C-N 3.26Å; T347-T349 PolarHBondContact O-N 2.93Å; T347-R350 WeakPolarHBondContact O-CB 3.25Å; T347-R350 PolarHBondContact O-N 2.8Å; T347-D351 WeakPolarHBondContact O-CB 3.38Å; T347-D351 PolarHBondContact O-N 2.61Å
348Y82.5Confident88Confident91 Ų9137.4 Ų37.436%0.35719%0.193SC..Hα-helixtrans-62.4-30.8173.3-67.6-54.3000113.3E344 A346 A352 E518E344-Y348 HydrophobicContact CB-CE2 4.44Å; E344-Y348 HydrophobicContact CG-CD2 4.21Å; E344-Y348 HydrophobicContact CG-CE2 3.51Å; E344-Y348 WeakPolarHBondContact O-CD2 3.49Å; E344-Y348 PolarHBondContact O-N 3.12Å; E344-Y348 WeakPolarHBondContact OE1-CE2 3.11Å; E344-Y348 PolarHBondContact OE1-OH 2.7Å; A346-Y348 PolarHBondContact O-N 2.9Å; Y348-A352 WeakPolarHBondContact O-CB 3.35Å; Y348-A352 PolarHBondContact O-N 3.19Å; Y348-E518 HydrophobicContact CE1-CG 4.31Å
349T87.4Confident88.7Confident2 Ų232.4 Ų32.41%0.01217%0.168CC..Hα-helixtrans-73.5-41.9179.9-59.50000111.1K320 L321 R324 Q345 A346 T347 A352 L353 L528K320-T349 WeakPolarHBondContact O-CG2 3.29Å; L321-T349 HydrophobicContact CD2-CG2 4.3Å; R324-T349 PolarHBondContact NH2-OG1 2.57Å; Q345-T349 WeakPolarHBondContact O-CB 3.48Å; Q345-T349 PolarHBondContact O-N 3.16Å; Q345-T349 PolarHBondContact O-OG1 2.9Å; A346-T349 WeakPolarHBondContact O-CA 3.36Å; A346-T349 WeakPolarHBondContact O-CB 3.43Å; A346-T349 PolarHBondContact O-N 3.05Å; T347-T349 VanDerWaalsContact C-N 3.26Å; T347-T349 PolarHBondContact O-N 2.93Å; T349-A352 PolarHBondContact O-N 2.98Å; T349-L353 PolarHBondContact O-N 3.31Å; T349-L353 VanDerWaalsContact O-N 3.11Å; T349-L528 HydrophobicContact CG2-CD1 3.89Å; T349-L528 HydrophobicContact CG2-CD2 4.01Å; T349-L528 HydrophobicContact CG2-CG 4.24Å
350R92.4Very high89.2Confident12 Ų1232.1 Ų32.15%0.04516%0.161CC..Hα-helixtrans-56.4-50.8168178.7-159.674.2170.66.6111.5L283 G284 I286 F288 L321 A346 T347 A352 L353 A354L283-R350 VanDerWaalsContact O-CD 3.26Å; L283-R350 WeakPolarHBondContact O-CD 3.48Å; L283-R350 WeakPolarHBondContact O-CG 3.25Å; G284-R350 PolarHBondContact O-NH1 3.04Å; I286-R350 VanDerWaalsContact O-CD 3.25Å; I286-R350 WeakPolarHBondContact O-CD 3.43Å; I286-R350 PolarHBondContact O-NH1 2.84Å; F288-R350 HydrophobicContact CE2-CB 4.05Å; F288-R350 HydrophobicContact CZ-CB 4.24Å; L321-R350 HydrophobicContact CD2-CB 3.96Å; A346-R350 PolarHBondContact O-N 3.28Å; T347-R350 WeakPolarHBondContact O-CB 3.25Å; T347-R350 PolarHBondContact O-N 2.8Å; R350-A352 PolarHBondContact O-N 3.44Å; R350-L353 PolarHBondContact O-N 2.99Å; R350-A354 PolarHBondContact O-N 3.24Å
351D90.3Very high89.7Confident19 Ų1928.9 Ų28.910%0.10214%0.141CC..Hα-helixtrans-65.9-37.8-178.8-79.630000112.3V198 Y235 T347 A354 K355V198-D351 HydrophobicContact CB-CB 4.45Å; V198-D351 HydrophobicContact CG1-CB 4.06Å; V198-D351 HydrophobicContact CG2-CB 4.39Å; V198-D351 WeakPolarHBondContact CG2-OD2 3.31Å; Y235-D351 PolarHBondContact OH-OD1 3.17Å; T347-D351 WeakPolarHBondContact O-CB 3.38Å; T347-D351 PolarHBondContact O-N 2.61Å; D351-A354 PolarHBondContact O-N 3.02Å; D351-K355 WeakPolarHBondContact O-CB 3.38Å; D351-K355 VanDerWaalsContact O-CD 3.3Å; D351-K355 WeakPolarHBondContact O-CD 3.22Å; D351-K355 WeakPolarHBondContact O-CG 3.41Å; D351-K355 PolarHBondContact O-N 3.01Å
352A86.8Confident90.2Very high20 Ų2028.9 Ų28.917%0.16514%0.141CC..Hα-helixtrans-64-39.7175.300000112Y348 T349 R350 A356 L528Y348-A352 WeakPolarHBondContact O-CB 3.35Å; Y348-A352 PolarHBondContact O-N 3.19Å; T349-A352 PolarHBondContact O-N 2.98Å; R350-A352 PolarHBondContact O-N 3.44Å; A352-A356 VanDerWaalsContact O-CB 3.23Å; A352-A356 WeakPolarHBondContact O-CB 3.4Å; A352-A356 PolarHBondContact O-N 3.33Å; A352-L528 HydrophobicContact CB-CD1 4.5Å
353L92.4Very high90.5Very high0 Ų029.7 Ų29.70%015%0.145CC..Hα-helixtrans-63.1-47.9173.918060.2000111.4L283 L317 T349 R350 A356 L357 L528 L531 M532L283-L353 HydrophobicContact CD1-CD2 3.96Å; L283-L353 HydrophobicContact CD1-CG 4.1Å; L283-L353 HydrophobicContact CD2-CD2 4.27Å; L317-L353 HydrophobicContact CD1-CD2 4.38Å; T349-L353 PolarHBondContact O-N 3.31Å; T349-L353 VanDerWaalsContact O-N 3.11Å; R350-L353 PolarHBondContact O-N 2.99Å; L353-A356 PolarHBondContact O-N 3.14Å; L353-L357 HydrophobicContact CD1-CD1 4.08Å; L353-L357 HydrophobicContact CD1-CG 4.27Å; L353-L357 HydrophobicContact CG-CD1 4.02Å; L353-L357 PolarHBondContact O-N 3.45Å; L353-L528 HydrophobicContact CB-CD1 4.22Å; L353-L528 HydrophobicContact CB-CD2 4.39Å; L353-L528 HydrophobicContact CD1-CB 4.49Å; L353-L528 HydrophobicContact CD2-CD2 4.42Å; L353-L531 HydrophobicContact CD2-CD2 4.44Å; L353-M532 HydrophobicContact CD1-CE 3.94Å; L353-M532 HydrophobicContact CD1-CG 3.82Å; L353-M532 HydrophobicContact CD1-SD 3.9Å; L353-M532 HydrophobicContact CD2-CE 4.1Å
354A95.2Very high90.9Very high0 Ų027.9 Ų27.90%014%0.135CC..Hα-helixtrans-59.1-49.817700000112.5V197 V198 Y235 I280 R350 D351 A356 L357 Y358V197-A354 HydrophobicContact CG1-CB 4.38Å; V198-A354 HydrophobicContact CG1-CB 4.02Å; Y235-A354 HydrophobicContact CE2-CB 3.69Å; I280-A354 HydrophobicContact CG2-CB 4.05Å; R350-A354 PolarHBondContact O-N 3.24Å; D351-A354 PolarHBondContact O-N 3.02Å; A354-A356 VanDerWaalsContact C-N 3.28Å; A354-A356 PolarHBondContact O-N 2.67Å; A354-L357 PolarHBondContact O-N 2.66Å; A354-Y358 PolarHBondContact O-N 3.4Å; A354-Y358 VanDerWaalsContact O-N 3.09Å
355K91.4Very high91.6Very high35 Ų3523.2 Ų23.215%0.15211%0.113CC..Hα-helixtrans-56.9-39.6175.2-70.8161.6-168.8166.30111.9K194 V198 D351 A359K194-K355 HydrophobicContact CB-CB 4.33Å; K194-K355 HydrophobicContact CB-CG 4.42Å; V198-K355 HydrophobicContact CG1-CG 4Å; D351-K355 WeakPolarHBondContact O-CB 3.38Å; D351-K355 VanDerWaalsContact O-CD 3.3Å; D351-K355 WeakPolarHBondContact O-CD 3.22Å; D351-K355 WeakPolarHBondContact O-CG 3.41Å; D351-K355 PolarHBondContact O-N 3.01Å; K355-A359 VanDerWaalsContact O-CB 3.28Å; K355-A359 WeakPolarHBondContact O-CB 3.26Å; K355-A359 PolarHBondContact O-N 3.29Å; K355-A359 VanDerWaalsContact O-N 3.15Å
356A90.5Very high92.1Very high10 Ų1019.9 Ų19.98%0.08310%0.098CC..Hα-helixtrans-75.9-42.6-178.200000113.3A352 L353 A354 A359 R360 L524A352-A356 VanDerWaalsContact O-CB 3.23Å; A352-A356 WeakPolarHBondContact O-CB 3.4Å; A352-A356 PolarHBondContact O-N 3.33Å; L353-A356 PolarHBondContact O-N 3.14Å; A354-A356 VanDerWaalsContact C-N 3.28Å; A354-A356 PolarHBondContact O-N 2.67Å; A356-A359 PolarHBondContact O-N 2.94Å; A356-R360 WeakPolarHBondContact O-CB 3.47Å; A356-R360 WeakPolarHBondContact O-CD 3.47Å; A356-R360 VanDerWaalsContact O-CG 3.26Å; A356-R360 WeakPolarHBondContact O-CG 3.28Å; A356-R360 PolarHBondContact O-N 3.04Å; A356-L524 HydrophobicContact CB-CD1 3.77Å; A356-L524 HydrophobicContact CB-CD2 3.98Å; A356-L524 HydrophobicContact CB-CG 4.36Å
357L95.6Very high92.4Very high0 Ų026.1 Ų26.10%013%0.127CC..Hα-helixtrans-57.8-50.4174-81.6165.5000110.6I276 I280 L283 L310 L353 A354 A359 R360 L361 M532 F544I276-L357 HydrophobicContact CG2-CB 4.36Å; I276-L357 HydrophobicContact CG2-CD2 4.26Å; I280-L357 HydrophobicContact CD1-CB 3.87Å; I280-L357 HydrophobicContact CG1-CB 3.97Å; I280-L357 HydrophobicContact CG1-CD1 4.28Å; L283-L357 HydrophobicContact CD1-CD1 3.87Å; L310-L357 HydrophobicContact CD1-CD1 3.93Å; L310-L357 HydrophobicContact CD2-CD1 4.07Å; L310-L357 HydrophobicContact CD2-CD2 4.41Å; L353-L357 HydrophobicContact CD1-CD1 4.08Å; L353-L357 HydrophobicContact CD1-CG 4.27Å; L353-L357 HydrophobicContact CG-CD1 4.02Å; L353-L357 PolarHBondContact O-N 3.45Å; A354-L357 PolarHBondContact O-N 2.66Å; L357-A359 PolarHBondContact O-N 2.64Å; L357-R360 PolarHBondContact O-N 3.27Å; L357-L361 VanDerWaalsContact O-CB 3.29Å; L357-L361 WeakPolarHBondContact O-CB 3.26Å; L357-L361 PolarHBondContact O-N 2.89Å; L357-M532 HydrophobicContact CD1-SD 4.2Å; L357-M532 HydrophobicContact CD2-SD 3.84Å; L357-M532 HydrophobicContact CG-SD 4.29Å; L357-F544 HydrophobicContact CD2-CE2 3.81Å; L357-F544 HydrophobicContact CD2-CZ 3.91Å; L357-F544 HydrophobicContact CG-CZ 4.26Å
358Y96.9Very high92.7Very high1 Ų124.7 Ų24.70%0.00412%0.12CC..Hα-helixtrans-62.1-44.8-179.8-163-92.8000112.7F154 L192 V197 F207 I209 Y210 I280 A354 L361 F362F154-Y358 VanDerWaalsContact CA-OH 3.29Å; F154-Y358 WeakPolarHBondContact CA-OH 3.42Å; F154-Y358 HydrophobicContact CD1-CE2 4.25Å; F154-Y358 WeakPolarHBondContact O-CE1 3.43Å; F154-Y358 PolarHBondContact O-OH 3.35Å; L192-Y358 HydrophobicContact CD2-CD1 4.21Å; L192-Y358 HydrophobicContact CD2-CE1 4.39Å; V197-Y358 HydrophobicContact CG1-CG 4.41Å; V197-Y358 HydrophobicContact CG2-CD1 3.52Å; V197-Y358 HydrophobicContact CG2-CD2 4.29Å; V197-Y358 HydrophobicContact CG2-CE1 4.23Å; V197-Y358 HydrophobicContact CG2-CG 3.57Å; F207-Y358 WeakPolarHBondContact CB-OH 3.43Å; F207-Y358 HydrophobicContact CD1-CE1 4.42Å; F207-Y358 HydrophobicContact CD2-CD1 4.42Å; F207-Y358 AromaticContact CD2-CE1 3.62Å; F207-Y358 HydrophobicContact CD2-CE1 3.62Å; F207-Y358 AromaticContact CD2-CZ 3.67Å; F207-Y358 HydrophobicContact CE2-CD1 4.31Å; F207-Y358 AromaticContact CE2-CE1 3.75Å; F207-Y358 HydrophobicContact CE2-CE1 3.75Å; F207-Y358 AromaticContact CG-CE1 3.99Å; F207-Y358 HydrophobicContact CG-CE1 3.99Å; F207-Y358 AromaticContact CG-CZ 3.79Å; F207-Y358 VanDerWaalsContact CG-OH 3.23Å; F207-Y358 WeakPolarHBondContact CG-OH 3.19Å; F207-Y358 HydrophobicContact CZ-CE1 4.2Å; I209-Y358 HydrophobicContact CG2-CE2 4.19Å; I209-Y358 WeakPolarHBondContact CG2-OH 2.8Å; Y210-Y358 HydrophobicContact CE2-CD2 4.45Å; Y210-Y358 AromaticContact CE2-CE2 3.93Å; Y210-Y358 HydrophobicContact CE2-CE2 3.93Å; Y210-Y358 AromaticContact CZ-CD2 3.92Å; Y210-Y358 AromaticContact CZ-CE2 3.71Å; Y210-Y358 WeakPolarHBondContact OH-CD2 3.46Å; Y210-Y358 WeakPolarHBondContact OH-CE2 3.4Å; I280-Y358 HydrophobicContact CD1-CD2 4.04Å; A354-Y358 PolarHBondContact O-N 3.4Å; A354-Y358 VanDerWaalsContact O-N 3.09Å; Y358-L361 PolarHBondContact O-N 2.77Å; Y358-F362 WeakPolarHBondContact O-CB 3.29Å; Y358-F362 PolarHBondContact O-N 3.01Å
359A92Very high93.3Very high11 Ų1120.4 Ų20.49%0.09110%0.103CC..Hα-helixtrans-65.2-41.6179.600000112.6K194 K355 A356 L357 F362 D363K194-A359 HydrophobicContact CD-CB 4.08Å; K194-A359 HydrophobicContact CG-CB 4.27Å; K355-A359 VanDerWaalsContact O-CB 3.28Å; K355-A359 WeakPolarHBondContact O-CB 3.26Å; K355-A359 PolarHBondContact O-N 3.29Å; K355-A359 VanDerWaalsContact O-N 3.15Å; A356-A359 PolarHBondContact O-N 2.94Å; L357-A359 PolarHBondContact O-N 2.64Å; A359-F362 PolarHBondContact O-N 3.33Å; A359-D363 WeakPolarHBondContact O-CB 3.38Å; A359-D363 PolarHBondContact O-N 2.88Å
360R93.5Very high93.5Very high48 Ų4822 Ų2218%0.18111%0.112CC..Hα-helixtrans-68.2-37.4176.8-69.9164.2-175.9-95.32.5111.9A356 L357 D363 Y364 L543 F544 E546A356-R360 WeakPolarHBondContact O-CB 3.47Å; A356-R360 WeakPolarHBondContact O-CD 3.47Å; A356-R360 VanDerWaalsContact O-CG 3.26Å; A356-R360 WeakPolarHBondContact O-CG 3.28Å; A356-R360 PolarHBondContact O-N 3.04Å; L357-R360 PolarHBondContact O-N 3.27Å; R360-D363 PolarHBondContact O-N 3.38Å; R360-Y364 WeakPolarHBondContact O-CB 3.28Å; R360-Y364 PolarHBondContact O-N 3.41Å; R360-L543 HydrophobicContact CB-CB 4.16Å; R360-L543 WeakPolarHBondContact CD-O 3.39Å; R360-L543 PolarHBondContact NH1-O 3.27Å; R360-F544 VanDerWaalsContact CD-CE1 3.46Å; R360-F544 VanDerWaalsContact CD-CZ 3.43Å; R360-F544 VanDerWaalsContact CZ-CD1 3.44Å; R360-E546 IonicContact CZ-OE1 3.86Å; R360-E546 IonicContact CZ-OE2 4Å; R360-E546 IonicContact NH1-OE1 2.66Å; R360-E546 PolarHBondContact NH1-OE1 2.82Å; R360-E546 IonicContact NH1-OE2 2.75Å; R360-E546 PolarHBondContact NH1-OE2 3.4Å; R360-E546 IonicContact NH2-OE1 2.63Å; R360-E546 PolarHBondContact NH2-OE1 2.98Å; R360-E546 IonicContact NH2-OE2 3.84Å
361L96.9Very high93.6Very high0 Ų029.1 Ų29.10%014%0.143CC..Hα-helixtrans-61.8-44.9173.4-173.963.6000111.1F154 V273 I276 L357 Y358 Y364 L365 F539F154-L361 HydrophobicContact CE1-CD2 3.86Å; F154-L361 HydrophobicContact CE1-CG 4.44Å; V273-L361 HydrophobicContact CB-CD1 4.31Å; V273-L361 HydrophobicContact CG1-CD1 4.23Å; V273-L361 HydrophobicContact CG1-CD2 4.4Å; V273-L361 HydrophobicContact CG2-CD1 3.94Å; I276-L361 HydrophobicContact CB-CD2 4.25Å; I276-L361 HydrophobicContact CD1-CD1 4.11Å; I276-L361 HydrophobicContact CG2-CD2 3.99Å; L357-L361 VanDerWaalsContact O-CB 3.29Å; L357-L361 WeakPolarHBondContact O-CB 3.26Å; L357-L361 PolarHBondContact O-N 2.89Å; Y358-L361 PolarHBondContact O-N 2.77Å; L361-Y364 WeakPolarHBondContact O-CB 3.27Å; L361-Y364 PolarHBondContact O-N 3.27Å; L361-L365 WeakPolarHBondContact O-CG 3.5Å; L361-L365 PolarHBondContact O-N 3Å; L361-F539 HydrophobicContact CD1-CE1 4.04Å; L361-F539 HydrophobicContact CD1-CZ 4.14Å
362F95.9Very high93.6Very high0 Ų029.9 Ų29.90%015%0.152CC..Hα-helixtrans-65.1-45.1176.6-173.3-108.7000112.9L151 F154 F168 N189 L192 Y358 A359 Y364 L365 V366L151-F362 HydrophobicContact CD2-CE2 3.96Å; L151-F362 HydrophobicContact CD2-CZ 4.22Å; F154-F362 HydrophobicContact CB-CD2 3.73Å; F154-F362 HydrophobicContact CB-CE2 4.1Å; F168-F362 HydrophobicContact CB-CE1 4.47Å; F168-F362 HydrophobicContact CD1-CZ 4.09Å; F168-F362 AromaticContact CD2-CE1 3.93Å; F168-F362 HydrophobicContact CD2-CE1 3.93Å; F168-F362 AromaticContact CD2-CZ 3.63Å; F168-F362 HydrophobicContact CD2-CZ 3.63Å; F168-F362 HydrophobicContact CE1-CZ 4.16Å; F168-F362 HydrophobicContact CE2-CE1 4.34Å; F168-F362 AromaticContact CE2-CZ 3.67Å; F168-F362 HydrophobicContact CE2-CZ 3.67Å; F168-F362 HydrophobicContact CG-CE1 4.17Å; F168-F362 AromaticContact CG-CZ 3.85Å; F168-F362 HydrophobicContact CG-CZ 3.85Å; F168-F362 AromaticContact CZ-CZ 3.96Å; F168-F362 HydrophobicContact CZ-CZ 3.96Å; N189-F362 HydrophobicContact CB-CE1 4.14Å; L192-F362 HydrophobicContact CB-CD1 4.48Å; L192-F362 HydrophobicContact CD1-CD1 4.22Å; L192-F362 HydrophobicContact CD1-CE1 4.14Å; L192-F362 HydrophobicContact CD1-CZ 4.43Å; L192-F362 HydrophobicContact CD2-CB 3.99Å; L192-F362 HydrophobicContact CD2-CD1 3.79Å; L192-F362 HydrophobicContact CD2-CE1 4.48Å; L192-F362 HydrophobicContact CD2-CG 3.99Å; L192-F362 HydrophobicContact CG-CD1 4.39Å; Y358-F362 WeakPolarHBondContact O-CB 3.29Å; Y358-F362 PolarHBondContact O-N 3.01Å; A359-F362 PolarHBondContact O-N 3.33Å; F362-Y364 VanDerWaalsContact C-N 3.28Å; F362-Y364 PolarHBondContact O-N 3.43Å; F362-L365 PolarHBondContact O-N 3.45Å; F362-V366 HydrophobicContact CE1-CG2 4.39Å; F362-V366 WeakPolarHBondContact O-CG2 3.39Å; F362-V366 PolarHBondContact O-N 2.94Å; F362-V366 VanDerWaalsContact O-N 3.1Å
363D92.7Very high93.7Very high67 Ų6729.1 Ų29.136%0.35815%0.145SC..Hα-helixtrans-60.2-37.9175.1-75.1-19.2000110.9N189 A359 R360 V366 E367N189-D363 PolarHBondContact ND2-OD1 2.45Å; A359-D363 WeakPolarHBondContact O-CB 3.38Å; A359-D363 PolarHBondContact O-N 2.88Å; R360-D363 PolarHBondContact O-N 3.38Å; D363-V366 PolarHBondContact O-N 2.75Å; D363-E367 PolarHBondContact O-N 2.87Å
364Y95.8Very high93.6Very high52 Ų5235.9 Ų35.920%0.20418%0.177CC..Hα-helixtrans-63.6-44.3172166.8-95.1000113.3I269 R360 L361 F362 V366 E367 A368 F539 L543I269-Y364 HydrophobicContact CG2-CE1 4.06Å; R360-Y364 WeakPolarHBondContact O-CB 3.28Å; R360-Y364 PolarHBondContact O-N 3.41Å; L361-Y364 WeakPolarHBondContact O-CB 3.27Å; L361-Y364 PolarHBondContact O-N 3.27Å; F362-Y364 VanDerWaalsContact C-N 3.28Å; F362-Y364 PolarHBondContact O-N 3.43Å; Y364-V366 PolarHBondContact O-N 3.28Å; Y364-E367 PolarHBondContact O-N 3.47Å; Y364-E367 VanDerWaalsContact O-N 3.1Å; Y364-A368 HydrophobicContact CE1-CB 4.35Å; Y364-A368 WeakPolarHBondContact O-CB 3.25Å; Y364-A368 PolarHBondContact O-N 3.39Å; Y364-F539 AromaticContact CD1-CE2 3.76Å; Y364-F539 HydrophobicContact CD1-CE2 3.76Å; Y364-F539 AromaticContact CD1-CZ 3.51Å; Y364-F539 HydrophobicContact CD1-CZ 3.51Å; Y364-F539 AromaticContact CD2-CE2 3.87Å; Y364-F539 HydrophobicContact CD2-CE2 3.87Å; Y364-F539 HydrophobicContact CD2-CZ 4.42Å; Y364-F539 AromaticContact CE1-CE2 3.67Å; Y364-F539 HydrophobicContact CE1-CE2 3.67Å; Y364-F539 AromaticContact CE1-CZ 3.6Å; Y364-F539 HydrophobicContact CE1-CZ 3.6Å; Y364-F539 AromaticContact CE2-CE2 3.77Å; Y364-F539 HydrophobicContact CE2-CE2 3.77Å; Y364-F539 HydrophobicContact CE2-CZ 4.5Å; Y364-F539 AromaticContact CG-CE2 3.87Å; Y364-F539 HydrophobicContact CG-CE2 3.87Å; Y364-F539 AromaticContact CG-CZ 3.96Å; Y364-F539 HydrophobicContact CG-CZ 3.96Å; Y364-F539 AromaticContact CZ-CE2 3.69Å; Y364-L543 HydrophobicContact CG-CD2 4.24Å
365L95.9Very high93.1Very high0 Ų036.5 Ų36.50%018%0.18CC..Hα-helixtrans-61.5-37.1178.6-66.6172.9000110.9L150 F154 I265 V273 L361 F362 A368 I369L150-L365 HydrophobicContact CD1-CD1 4.17Å; L150-L365 HydrophobicContact CD1-CD2 4.48Å; L150-L365 HydrophobicContact CD2-CD2 4.29Å; F154-L365 HydrophobicContact CB-CD1 4.36Å; F154-L365 HydrophobicContact CD1-CD1 3.9Å; F154-L365 HydrophobicContact CD2-CD1 3.58Å; F154-L365 HydrophobicContact CE1-CD1 4.01Å; F154-L365 HydrophobicContact CE2-CD1 3.7Å; F154-L365 HydrophobicContact CG-CD1 3.69Å; F154-L365 HydrophobicContact CZ-CD1 3.91Å; I265-L365 HydrophobicContact CD1-CD2 3.88Å; V273-L365 HydrophobicContact CG1-CD2 4.46Å; V273-L365 HydrophobicContact CG2-CD2 4.3Å; L361-L365 WeakPolarHBondContact O-CG 3.5Å; L361-L365 PolarHBondContact O-N 3Å; F362-L365 PolarHBondContact O-N 3.45Å; L365-A368 PolarHBondContact O-N 3.34Å; L365-I369 WeakPolarHBondContact O-CD1 3.27Å; L365-I369 VanDerWaalsContact O-CG1 3.31Å; L365-I369 WeakPolarHBondContact O-CG1 3.44Å; L365-I369 PolarHBondContact O-N 3.06Å; L365-I369 VanDerWaalsContact O-N 3.12Å
366V93.9Very high92.5Very high5 Ų539.8 Ų39.83%0.0320%0.204CC..Hα-helixtrans-67.2-40.3172.9175.20000111.7L151 I187 N189 F362 D363 Y364 N370L151-V366 HydrophobicContact CD2-CG2 3.68Å; I187-V366 HydrophobicContact CG2-CG1 4.36Å; N189-V366 HydrophobicContact CB-CG1 4.22Å; N189-V366 HydrophobicContact CB-CG2 3.94Å; F362-V366 HydrophobicContact CE1-CG2 4.39Å; F362-V366 WeakPolarHBondContact O-CG2 3.39Å; F362-V366 PolarHBondContact O-N 2.94Å; F362-V366 VanDerWaalsContact O-N 3.1Å; D363-V366 PolarHBondContact O-N 2.75Å; Y364-V366 PolarHBondContact O-N 3.28Å; V366-N370 WeakPolarHBondContact O-CB 3.27Å; V366-N370 PolarHBondContact O-N 3.36Å; V366-N370 PolarHBondContact O-ND2 3.15Å
367E93.9Very high92Very high131 Ų13146.5 Ų46.561%0.61223%0.229SC*.Hα-helixtrans-63.5-41.9173.7-170.1-179170.200112D363 Y364 I369 N370 K371D363-E367 PolarHBondContact O-N 2.87Å; Y364-E367 PolarHBondContact O-N 3.47Å; Y364-E367 VanDerWaalsContact O-N 3.1Å; E367-I369 PolarHBondContact O-N 2.87Å; E367-N370 WeakPolarHBondContact O-CB 3.47Å; E367-N370 PolarHBondContact O-N 2.89Å; E367-K371 WeakPolarHBondContact O-CB 3.45Å; E367-K371 PolarHBondContact O-N 3.32Å
368A94.8Very high91Very high15 Ų1552.9 Ų52.912%0.12426%0.258CS..Hα-helixtrans-61.2-44.9178.200000111.9I265 Y364 L365 K371 A372I265-A368 HydrophobicContact CD1-CB 4.15Å; I265-A368 HydrophobicContact CG1-CB 4.21Å; Y364-A368 HydrophobicContact CE1-CB 4.35Å; Y364-A368 WeakPolarHBondContact O-CB 3.25Å; Y364-A368 PolarHBondContact O-N 3.39Å; L365-A368 PolarHBondContact O-N 3.34Å; A368-K371 PolarHBondContact O-N 2.93Å; A368-A372 PolarHBondContact O-N 2.94Å; A368-A372 VanDerWaalsContact O-N 3.16Å
369I94.1Very high90.3Very high0 Ų055.5 Ų55.50%027%0.271CS..Hα-helixtrans-62-49.3173.8-61.2154.3000110.5I143 L150 L151 I187 I263 L365 E367 K371 A372 I373I143-I369 HydrophobicContact CG2-CG2 4.11Å; L150-I369 HydrophobicContact CD2-CD1 4.38Å; L151-I369 HydrophobicContact CD1-CD1 3.92Å; L151-I369 HydrophobicContact CD2-CD1 3.93Å; L151-I369 HydrophobicContact CG-CD1 3.85Å; I187-I369 HydrophobicContact CD1-CB 4.28Å; I187-I369 HydrophobicContact CD1-CD1 4.43Å; I187-I369 HydrophobicContact CD1-CG2 3.47Å; I187-I369 VanDerWaalsContact CD1-CG2 3.47Å; I187-I369 HydrophobicContact CG1-CG2 4.36Å; I263-I369 HydrophobicContact CD1-CD1 4.27Å; I263-I369 HydrophobicContact CD1-CG1 3.63Å; I263-I369 HydrophobicContact CG1-CG1 4.09Å; I263-I369 HydrophobicContact CG2-CG1 4.07Å; L365-I369 WeakPolarHBondContact O-CD1 3.27Å; L365-I369 VanDerWaalsContact O-CG1 3.31Å; L365-I369 WeakPolarHBondContact O-CG1 3.44Å; L365-I369 PolarHBondContact O-N 3.06Å; L365-I369 VanDerWaalsContact O-N 3.12Å; E367-I369 PolarHBondContact O-N 2.87Å; I369-K371 VanDerWaalsContact C-N 3.27Å; I369-K371 PolarHBondContact O-N 3.47Å; I369-A372 WeakPolarHBondContact O-CB 3.33Å; I369-A372 PolarHBondContact O-N 3.31Å; I369-I373 HydrophobicContact CG2-CD1 4.37Å; I369-I373 WeakPolarHBondContact O-CG1 3.4Å; I369-I373 PolarHBondContact O-N 3.01Å
370N93.3Very high90.2Very high37 Ų3757.5 Ų57.520%0.19828%0.277CS..Hα-helixtrans-55-42.9178.8-86.9-62.8000112.3K186 I187 V366 E367 A372 I373 Q374K186-N370 WeakPolarHBondContact CA-OD1 3.47Å; I187-N370 PolarHBondContact N-OD1 3.32Å; I187-N370 PolarHBondContact O-ND2 3.47Å; I187-N370 PolarHBondContact O-OD1 2.85Å; V366-N370 WeakPolarHBondContact O-CB 3.27Å; V366-N370 PolarHBondContact O-N 3.36Å; V366-N370 PolarHBondContact O-ND2 3.15Å; E367-N370 WeakPolarHBondContact O-CB 3.47Å; E367-N370 PolarHBondContact O-N 2.89Å; N370-A372 VanDerWaalsContact C-N 3.33Å; N370-A372 PolarHBondContact O-N 3.31Å; N370-I373 PolarHBondContact O-N 2.89Å; N370-Q374 WeakPolarHBondContact O-CB 3.5Å; N370-Q374 PolarHBondContact O-N 2.85Å
371K92.9Very high90.1Very high160 Ų16055.6 Ų55.670%0.69627%0.271SS*.Hα-helixtrans-64.5-34.8177.7-173.9176.5179.9178.70112.7E367 A368 I369E367-K371 WeakPolarHBondContact O-CB 3.45Å; E367-K371 PolarHBondContact O-N 3.32Å; A368-K371 PolarHBondContact O-N 2.93Å; I369-K371 VanDerWaalsContact C-N 3.27Å; I369-K371 PolarHBondContact O-N 3.47Å
372A90.8Very high89.9Confident36 Ų3655.6 Ų55.630%0.29827%0.271SS..Hα-helixtrans-71.7-29.8177.500000113.2I143 I263 A368 I369 N370I143-A372 HydrophobicContact CD1-CB 3.89Å; I143-A372 HydrophobicContact CG2-CB 4.31Å; I263-A372 HydrophobicContact CG2-CB 4.34Å; I263-A372 WeakPolarHBondContact O-CB 3.27Å; A368-A372 PolarHBondContact O-N 2.94Å; A368-A372 VanDerWaalsContact O-N 3.16Å; I369-A372 WeakPolarHBondContact O-CB 3.33Å; I369-A372 PolarHBondContact O-N 3.31Å; N370-A372 VanDerWaalsContact C-N 3.33Å; N370-A372 PolarHBondContact O-N 3.31Å
373I90.1Very high89.8Confident3 Ų355.6 Ų55.62%0.01527%0.271CS..SBendtrans-104.37.8179.966.1-178.6000114.3V140 I143 I144 G184 G185 I187 I369 N370 K375V140-I373 HydrophobicContact CG1-CG2 4.46Å; I143-I373 HydrophobicContact CB-CG2 3.77Å; I143-I373 HydrophobicContact CD1-CG2 4.08Å; I143-I373 HydrophobicContact CG2-CG2 3.46Å; I143-I373 VanDerWaalsContact CG2-CG2 3.46Å; I144-I373 HydrophobicContact CG1-CD1 4.23Å; I144-I373 HydrophobicContact CG1-CG2 4.31Å; G184-I373 CarbonylContact C-O 3.56Å; G184-I373 WeakPolarHBondContact CA-O 3.49Å; G185-I373 VanDerWaalsContact C-CD1 3.49Å; G185-I373 PolarHBondContact N-O 3.07Å; G185-I373 WeakPolarHBondContact O-CG1 3.29Å; I187-I373 HydrophobicContact CG1-CD1 4.35Å; I369-I373 HydrophobicContact CG2-CD1 4.37Å; I369-I373 WeakPolarHBondContact O-CG1 3.4Å; I369-I373 PolarHBondContact O-N 3.01Å; N370-I373 PolarHBondContact O-N 2.89Å; I373-K375 PolarHBondContact O-N 3.45Å
374Q88.8Confident89.7Confident143 Ų14352.4 Ų52.467%0.66825%0.254SS*.  trans-64.8123.9-170-168.6175.424.400113.4N370N370-Q374 WeakPolarHBondContact O-CB 3.5Å; N370-Q374 PolarHBondContact O-N 2.85Å
375K84.4Confident89.5Confident13 Ų1349.9 Ų49.96%0.05724%0.244CC..  trans-92139.9167.5-161.3173.4168.6165.40110.3Q175 F176 D183 I373 Y377 E379Q175-K375 HydrophobicContact CB-CD 4.29Å; Q175-K375 VanDerWaalsContact OE1-CB 3.23Å; F176-K375 VanDerWaalsContact C-NZ 3.32Å; F176-K375 PolarHBondContact O-NZ 3.42Å; D183-K375 WeakPolarHBondContact OD1-CD 3.35Å; D183-K375 WeakPolarHBondContact OD1-CE 3.49Å; D183-K375 IonicContact OD1-NZ 3.01Å; D183-K375 PolarHBondContact OD1-NZ 2.66Å; D183-K375 WeakPolarHBondContact OD2-CE 3.23Å; D183-K375 IonicContact OD2-NZ 3.18Å; D183-K375 PolarHBondContact OD2-NZ 3.45Å; I373-K375 PolarHBondContact O-N 3.45Å; K375-Y377 VanDerWaalsContact C-N 3.26Å; K375-Y377 WeakPolarHBondContact CD-O 3.17Å; K375-Y377 WeakPolarHBondContact CE-O 3.36Å; K375-Y377 VanDerWaalsContact CG-O 3.32Å; K375-Y377 WeakPolarHBondContact CG-O 3.4Å; K375-Y377 PolarHBondContact O-N 3.41Å; K375-E379 IonicContact NZ-OE2 3.93Å
376P79.4Confident88.9Confident103 Ų10350 Ų5067%0.66925%0.245SC*.SBendtrans-73.4-10.9178.428.2-36000114.8
377Y79.7Confident88.2Confident152 Ų15250 Ų5060%0.59625%0.245SC*.SBendtrans-155.1132.4177.529.2-101000110.4K375K375-Y377 VanDerWaalsContact C-N 3.26Å; K375-Y377 WeakPolarHBondContact CD-O 3.17Å; K375-Y377 WeakPolarHBondContact CE-O 3.36Å; K375-Y377 VanDerWaalsContact CG-O 3.32Å; K375-Y377 WeakPolarHBondContact CG-O 3.4Å; K375-Y377 PolarHBondContact O-N 3.41Å
378E74.8Confident87.3Confident133 Ų13344.2 Ų44.262%0.62122%0.218SC*.  trans-78.1134.3175.3-53.4-170.6142.500109.5Q175 K186Q175-E378 PolarHBondContact NE2-OE1 3.36Å; Q175-E378 VanDerWaalsContact NE2-OE1 3.14Å; K186-E378 IonicContact NZ-OE1 3.54Å
379E82.4Confident86.4Confident57 Ų5743.6 Ų43.627%0.26621%0.212SC..  trans-121.9-75.7174.8-66.1-161.6113.700110.7R178 K375R178-E379 IonicContact CZ-OE1 3.95Å; R178-E379 VanDerWaalsContact CZ-OE1 3.26Å; R178-E379 PolarHBondContact N-OE2 2.57Å; R178-E379 IonicContact NE-OE1 3.71Å; R178-E379 PolarHBondContact NE-OE1 2.98Å; R178-E379 IonicContact NH2-OE1 3.63Å; R178-E379 PolarHBondContact NH2-OE1 3.03Å; K375-E379 IonicContact NZ-OE2 3.93Å
380F89.9Confident85.7Confident52 Ų5244 Ų4423%0.22821%0.214CC..EExtended strand (participates in β ladder)trans-121.7147.2172.2-58.2-55.7000110.5M97 G101 N103 Q175 F176 R178M97-F380 HydrophobicContact CG-CB 3.84Å; M97-F380 HydrophobicContact CG-CG 4.28Å; M97-F380 HydrophobicContact SD-CB 3.81Å; G101-F380 WeakPolarHBondContact O-CE1 3.46Å; N103-F380 VanDerWaalsContact OD1-CA 3.28Å; N103-F380 WeakPolarHBondContact OD1-CA 3.19Å; Q175-F380 WeakPolarHBondContact CA-O 3.48Å; F176-F380 HydrophobicContact CB-CB 4.44Å; F176-F380 PolarHBondContact N-O 2.61Å; R178-F380 HydrophobicContact CG-CE2 4.37Å
381S91.8Very high85Confident8 Ų842.3 Ų42.36%0.05621%0.205CC..EExtended strand (participates in β ladder)trans-135.8151174.666.10000114.1N103 Q104 I174N103-S381 WeakPolarHBondContact CA-O 3.31Å; N103-S381 PolarHBondContact OD1-N 3.42Å; Q104-S381 PolarHBondContact N-O 2.98Å; I174-S381 CarbonylContact O-C 3.57Å; I174-S381 VanDerWaalsContact O-CA 3.22Å; I174-S381 WeakPolarHBondContact O-CA 3.13Å
382I93.4Very high84.4Confident0 Ų037 Ų370%018%0.184CC..EExtended strand (participates in β ladder)trans-114.8110.2163-62.2176.7000108.3M93 Y94 M97 Q104 I127 I174 F176M93-I382 HydrophobicContact CE-CG2 3.64Å; Y94-I382 HydrophobicContact CD2-CD1 4.27Å; M97-I382 HydrophobicContact CE-CD1 4.29Å; M97-I382 HydrophobicContact SD-CD1 4.03Å; M97-I382 HydrophobicContact SD-CG1 3.73Å; Q104-I382 HydrophobicContact CB-CG1 4.37Å; Q104-I382 CarbonylContact O-C 3.58Å; Q104-I382 WeakPolarHBondContact O-CA 3.49Å; I127-I382 HydrophobicContact CD1-CB 4.46Å; I127-I382 HydrophobicContact CD1-CD1 3.97Å; I127-I382 HydrophobicContact CD1-CG2 3.83Å; I174-I382 PolarHBondContact N-O 2.84Å; I174-I382 PolarHBondContact O-N 3.49Å; F176-I382 HydrophobicContact CD2-CG1 4.42Å; F176-I382 HydrophobicContact CE2-CB 3.84Å; F176-I382 HydrophobicContact CE2-CD1 3.77Å; F176-I382 HydrophobicContact CE2-CG1 3.61Å; F176-I382 HydrophobicContact CZ-CB 4.44Å; F176-I382 HydrophobicContact CZ-CD1 3.82Å; F176-I382 HydrophobicContact CZ-CG1 4.18Å
383G92.3Very high83.9Confident0 Ų037.2 Ų37.20%018%0.178CC..EExtended strand (participates in β ladder)trans-82137.3173.600000112.7Q104 C105 V106 F172Q104-G383 PolarHBondContact O-N 2.82Å; C105-G383 CarbonylContact C-O 3.47Å; C105-G383 VanDerWaalsContact CA-O 3.28Å; C105-G383 WeakPolarHBondContact CA-O 3.48Å; V106-G383 PolarHBondContact N-O 3.41Å; F172-G383 CarbonylContact O-C 3.56Å; F172-G383 VanDerWaalsContact O-CA 3.26Å; F172-G383 WeakPolarHBondContact O-CA 3.35Å
384V92.1Very high83.3Confident0 Ų047 Ų470%022%0.223CC..EExtended strand (participates in β ladder)trans-126.7110.7172.2-176.50000108.2V106 I108 A120 I123 M124 F172V106-V384 HydrophobicContact CG1-CB 4.13Å; V106-V384 HydrophobicContact CG1-CG1 3.99Å; V106-V384 HydrophobicContact CG1-CG2 3.93Å; I108-V384 HydrophobicContact CD1-CG1 4.09Å; A120-V384 HydrophobicContact CB-CG1 3.87Å; I123-V384 HydrophobicContact CG2-CG2 4.15Å; M124-V384 HydrophobicContact CG-CG2 4.48Å; F172-V384 HydrophobicContact CB-CB 4.47Å; F172-V384 PolarHBondContact N-O 3.18Å; F172-V384 PolarHBondContact O-N 2.83Å
385L89.8Confident82.9Confident0 Ų046.9 Ų46.90%022%0.221CC..EExtended strand (participates in β ladder)trans-97.5112178.2-174.765.7000110.6V106 I107 I108 Y171 I387 L410 L570 L574V106-L385 PolarHBondContact O-N 3.38Å; I107-L385 HydrophobicContact CG1-CD2 4.23Å; I107-L385 HydrophobicContact CG2-CD2 4.4Å; I108-L385 WeakPolarHBondContact CB-O 3.42Å; I108-L385 PolarHBondContact N-O 3.37Å; I108-L385 VanDerWaalsContact N-O 3.16Å; Y171-L385 HydrophobicContact CD2-CB 3.87Å; Y171-L385 HydrophobicContact CD2-CD1 3.99Å; Y171-L385 HydrophobicContact CE2-CB 4.41Å; Y171-L385 HydrophobicContact CG-CD1 4.33Å; L385-I387 HydrophobicContact CD1-CG2 3.82Å; L385-I387 HydrophobicContact CD2-CG2 4.34Å; L385-I387 HydrophobicContact CG-CG2 3.96Å; L385-L410 HydrophobicContact CD2-CD1 4.2Å; L385-L410 HydrophobicContact CD2-CD2 3.83Å; L385-L570 HydrophobicContact CD1-CD1 4Å; L385-L570 HydrophobicContact CD1-CD2 4.18Å; L385-L570 HydrophobicContact CD2-CD1 4.49Å; L385-L570 HydrophobicContact CD2-CD2 4.35Å; L385-L574 HydrophobicContact CD2-CD1 4.03Å; L385-L574 HydrophobicContact CD2-CD2 4.42Å
386D85Confident83Confident1 Ų146.5 Ų46.51%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-114.6101.7170.5-177.738.6000108.7K116 T117 A120 K170K116-D386 VanDerWaalsContact CB-OD1 3.28Å; K116-D386 WeakPolarHBondContact CB-OD1 3.36Å; T117-D386 VanDerWaalsContact CA-OD2 3.31Å; T117-D386 WeakPolarHBondContact CA-OD2 3.45Å; T117-D386 VanDerWaalsContact CB-OD2 3.22Å; T117-D386 WeakPolarHBondContact CB-OD2 3.06Å; T117-D386 WeakPolarHBondContact CG2-OD2 3.25Å; T117-D386 PolarHBondContact N-OD1 2.84Å; T117-D386 PolarHBondContact OG1-OD1 2.9Å; T117-D386 PolarHBondContact OG1-OD2 3Å; A120-D386 HydrophobicContact CB-CB 4.2Å; K170-D386 WeakPolarHBondContact CE-OD2 3.46Å; K170-D386 HydrophobicContact CG-CB 4.01Å; K170-D386 WeakPolarHBondContact CG-O 3.47Å; K170-D386 PolarHBondContact N-O 2.88Å; K170-D386 PolarHBondContact O-N 2.92Å
387I78.1Confident83.4Confident7 Ų742.1 Ų42.14%0.03619%0.193CC..  trans-104.3161.3177.449148.4000111.1K116 L385 L410K116-I387 WeakPolarHBondContact CE-O 3.42Å; L385-I387 HydrophobicContact CD1-CG2 3.82Å; L385-I387 HydrophobicContact CD2-CG2 4.34Å; L385-I387 HydrophobicContact CG-CG2 3.96Å; I387-L410 HydrophobicContact CD1-CD1 3.43Å; I387-L410 VanDerWaalsContact CD1-CD1 3.43Å; I387-L410 HydrophobicContact CG1-CD1 4.28Å; I387-L410 HydrophobicContact CG2-CD1 4.33Å
388Y74.4Confident83.7Confident9 Ų935.3 Ų35.34%0.03517%0.166CC..  trans-56.7155.9162.745.3-116.5000111.3L191 I403L191-Y388 HydrophobicContact CB-CE1 3.99Å; L191-Y388 WeakPolarHBondContact CB-OH 3.4Å; L191-Y388 WeakPolarHBondContact CD1-OH 3.07Å; Y388-I403 HydrophobicContact CD1-CG1 4.38Å; Y388-I403 HydrophobicContact CD2-CB 4.18Å; Y388-I403 HydrophobicContact CD2-CG1 4.01Å; Y388-I403 HydrophobicContact CD2-CG2 3.63Å; Y388-I403 HydrophobicContact CE1-CG1 4.06Å; Y388-I403 HydrophobicContact CE2-CB 3.81Å; Y388-I403 HydrophobicContact CE2-CG1 3.7Å; Y388-I403 HydrophobicContact CE2-CG2 3.72Å; Y388-I403 HydrophobicContact CG-CG1 4.34Å; Y388-I403 HydrophobicContact CG-CG2 4.47Å
389G75.8Confident84Confident1 Ų130.4 Ų30.41%0.0114%0.143CC..  trans-76174.1176.400000112.6G110 I403G110-G389 WeakPolarHBondContact O-CA 3.44Å; G389-I403 WeakPolarHBondContact O-CG2 3.3Å
390F80.6Confident84.2Confident9 Ų928.3 Ų28.34%0.03913%0.134CC..  trans-62.8138.3162.6-162.8-82.2000109.6I392 N404 N407 H504 Y505 A506 V509F390-I392 HydrophobicContact CD1-CD1 4.16Å; F390-I392 HydrophobicContact CD1-CG1 3.81Å; F390-I392 HydrophobicContact CE1-CD1 3.82Å; F390-I392 HydrophobicContact CE1-CG1 3.61Å; F390-N404 HydrophobicContact CD2-CB 4.18Å; F390-N404 HydrophobicContact CE1-CB 4.46Å; F390-N404 HydrophobicContact CE2-CB 3.61Å; F390-N404 WeakPolarHBondContact CG-OD1 3.48Å; F390-N404 HydrophobicContact CZ-CB 3.75Å; F390-N404 VanDerWaalsContact CZ-CG 3.45Å; F390-N407 HydrophobicContact CB-CB 4.48Å; F390-N407 HydrophobicContact CD2-CB 3.8Å; F390-N407 PolarHBondContact N-OD1 3.48Å; F390-H504 HydrophobicContact CE2-CB 3.92Å; F390-H504 HydrophobicContact CZ-CB 3.51Å; F390-H504 AromaticContact CZ-CD2 3.98Å; F390-H504 AromaticContact CZ-CG 3.66Å; F390-Y505 AromaticContact CD2-CE1 3.67Å; F390-Y505 HydrophobicContact CD2-CE1 3.67Å; F390-Y505 HydrophobicContact CE2-CD1 4.26Å; F390-Y505 AromaticContact CE2-CE1 3.83Å; F390-Y505 HydrophobicContact CE2-CE1 3.83Å; F390-A506 HydrophobicContact CD1-CB 3.69Å; F390-A506 HydrophobicContact CD2-CB 3.95Å; F390-A506 HydrophobicContact CE1-CB 3.78Å; F390-A506 HydrophobicContact CE2-CB 4.04Å; F390-A506 HydrophobicContact CG-CB 3.8Å; F390-A506 HydrophobicContact CZ-CB 3.97Å; F390-V509 HydrophobicContact CE1-CG2 3.73Å; F390-V509 HydrophobicContact CZ-CG2 3.91Å
391E78.9Confident84.2Confident2 Ų225.9 Ų25.91%0.00912%0.123CC..  trans-121.2131.8-174.8-66-161.1149.100112.2R167 F393 Q400 I403 N404R167-E391 IonicContact CZ-OE1 3.62Å; R167-E391 IonicContact CZ-OE2 2.8Å; R167-E391 IonicContact NH1-OE1 3.89Å; R167-E391 PolarHBondContact NH1-OE1 3.34Å; R167-E391 IonicContact NH1-OE2 2.83Å; R167-E391 IonicContact NH2-OE1 2.67Å; R167-E391 IonicContact NH2-OE2 2.74Å; R167-E391 PolarHBondContact NH2-OE2 3.17Å; E391-F393 HydrophobicContact CB-CE1 4.43Å; E391-F393 HydrophobicContact CB-CE2 4.35Å; E391-F393 HydrophobicContact CB-CZ 4.13Å; E391-F393 VanDerWaalsContact CD-CZ 3.41Å; E391-F393 HydrophobicContact CG-CZ 4.06Å; E391-F393 WeakPolarHBondContact OE2-CE2 3.4Å; E391-F393 WeakPolarHBondContact OE2-CZ 3.31Å; E391-Q400 HydrophobicContact CB-CG 4Å; E391-Q400 PolarHBondContact OE2-NE2 2.82Å; E391-I403 HydrophobicContact CB-CG2 4.15Å; E391-I403 HydrophobicContact CG-CG2 3.94Å; E391-I403 WeakPolarHBondContact OE2-CD1 3.34Å; E391-N404 PolarHBondContact N-OD1 3.23Å; E391-N404 PolarHBondContact O-ND2 3.49Å; E391-N404 PolarHBondContact O-OD1 3.48Å
392I80.6Confident84Confident49 Ų4925.8 Ų25.825%0.25112%0.122SC..  trans-140.4101.6174.6-47.4-178.5000106.5R161 F390 V509R161-I392 VanDerWaalsContact CZ-O 3.23Å; R161-I392 PolarHBondContact NH1-O 3.45Å; R161-I392 PolarHBondContact NH2-O 3.17Å; F390-I392 HydrophobicContact CD1-CD1 4.16Å; F390-I392 HydrophobicContact CD1-CG1 3.81Å; F390-I392 HydrophobicContact CE1-CD1 3.82Å; F390-I392 HydrophobicContact CE1-CG1 3.61Å; I392-V509 HydrophobicContact CD1-CG2 4.07Å; I392-V509 HydrophobicContact CG1-CG2 3.92Å
393F79.8Confident83.6Confident39 Ų3926.3 Ų26.317%0.17113%0.125CC..  trans-106174.2176.9-57.3-33.7000110.4E391 K395 N396 Q400E391-F393 HydrophobicContact CB-CE1 4.43Å; E391-F393 HydrophobicContact CB-CE2 4.35Å; E391-F393 HydrophobicContact CB-CZ 4.13Å; E391-F393 VanDerWaalsContact CD-CZ 3.41Å; E391-F393 HydrophobicContact CG-CZ 4.06Å; E391-F393 WeakPolarHBondContact OE2-CE2 3.4Å; E391-F393 WeakPolarHBondContact OE2-CZ 3.31Å; F393-K395 PolarHBondContact O-N 2.88Å; F393-N396 PolarHBondContact N-OD1 3.49Å; F393-N396 PolarHBondContact O-ND2 2.83Å; F393-N396 PolarHBondContact O-OD1 3.06Å; F393-Q400 HydrophobicContact CD2-CG 3.91Å; F393-Q400 HydrophobicContact CE2-CG 4.11Å
394Q77.3Confident83.4Confident208 Ų20826.3 Ų26.397%0.97213%0.125SC*.SBendtrans-64-32175-67179-7.700112
395K80.4Confident83.3Confident142 Ų14226.3 Ų26.362%0.61713%0.125SC*.SBendtrans-129122.3173.5-166.5176.9-168.51780108F393 D512F393-K395 PolarHBondContact O-N 2.88Å; K395-D512 WeakPolarHBondContact CE-OD2 3.32Å; K395-D512 HydrophobicContact CG-CB 4.37Å; K395-D512 IonicContact NZ-OD2 2.79Å; K395-D512 PolarHBondContact NZ-OD2 3.25Å
396N86.5Confident83.1Confident5 Ų526.5 Ų26.53%0.02713%0.126CC..BIsolated β-bridgetrans-115.8123.9-177.6-54.8-79.7000109.3F393 Q400 V509 S510 Y511 D512F393-N396 PolarHBondContact N-OD1 3.49Å; F393-N396 PolarHBondContact O-ND2 2.83Å; F393-N396 PolarHBondContact O-OD1 3.06Å; N396-Q400 HydrophobicContact CB-CB 3.91Å; N396-Q400 HydrophobicContact CB-CG 4.26Å; N396-V509 HydrophobicContact CB-CG1 4.23Å; N396-S510 WeakPolarHBondContact CB-O 3.49Å; N396-S510 PolarHBondContact ND2-O 3.06Å; N396-Y511 HydrophobicContact CB-CD1 3.63Å; N396-Y511 HydrophobicContact CB-CE1 3.98Å; N396-Y511 WeakPolarHBondContact O-CA 3.06Å; N396-D512 PolarHBondContact O-N 3.13Å
397G88.1Confident83.1Confident10 Ų1026.8 Ų26.810%0.10313%0.127CC..  trans-95.4-168.4179.200000113.8E399 Q400 F401G397-E399 PolarHBondContact O-N 3.03Å; G397-Q400 VanDerWaalsContact N-OE1 3.09Å; G397-Q400 PolarHBondContact O-N 3Å; G397-F401 PolarHBondContact O-N 2.96Å; G397-F401 VanDerWaalsContact O-N 3.1Å
398F86Confident83.6Confident10 Ų1026.4 Ų26.44%0.04413%0.126CC..Hα-helixtrans-57.8-34.3171.1174.1-106.8000111.8F401 C402 L461 F516 R519 N520 A559 I563F398-F401 HydrophobicContact CD2-CD1 4.14Å; F398-F401 HydrophobicContact CE2-CD1 4.4Å; F398-F401 WeakPolarHBondContact O-CB 3.42Å; F398-F401 PolarHBondContact O-N 3.39Å; F398-C402 PolarHBondContact O-N 3.13Å; F398-C402 PolarHBondContact O-SG 2.8Å; F398-C402 VanDerWaalsContact O-SG 3.41Å; F398-L461 HydrophobicContact CD2-CD2 4.09Å; F398-L461 HydrophobicContact CE2-CD2 3.64Å; F398-F516 HydrophobicContact CB-CD1 4.28Å; F398-F516 HydrophobicContact CB-CD2 4.19Å; F398-F516 HydrophobicContact CB-CE1 4.25Å; F398-F516 HydrophobicContact CB-CE2 4.15Å; F398-F516 HydrophobicContact CB-CG 4.26Å; F398-F516 HydrophobicContact CB-CZ 4.18Å; F398-F516 AromaticContact CD2-CD1 3.82Å; F398-F516 HydrophobicContact CD2-CD1 3.82Å; F398-F516 AromaticContact CD2-CE1 3.82Å; F398-F516 HydrophobicContact CD2-CE1 3.82Å; F398-R519 HydrophobicContact CB-CB 4.14Å; F398-R519 HydrophobicContact CD1-CB 3.69Å; F398-R519 HydrophobicContact CE1-CB 4.4Å; F398-R519 HydrophobicContact CG-CB 4.1Å; F398-N520 HydrophobicContact CE2-CB 4.01Å; F398-N520 HydrophobicContact CZ-CB 4Å; F398-A559 HydrophobicContact CE1-CB 3.71Å; F398-A559 HydrophobicContact CZ-CB 3.77Å; F398-I563 HydrophobicContact CE1-CD1 4.31Å; F398-I563 HydrophobicContact CZ-CD1 4.25Å
399E81.4Confident84.2Confident30 Ų3027.1 Ų27.114%0.1413%0.129CC..Hα-helixtrans-59.8-52.7176.4-62.786.5162.300111.3E193 S195 G397 F401 C402 I403 R519E193-E399 HydrophobicContact CG-CG 4.29Å; S195-E399 WeakPolarHBondContact CB-OE1 3.37Å; S195-E399 WeakPolarHBondContact OG-CG 3.43Å; S195-E399 PolarHBondContact OG-OE1 3.16Å; G397-E399 PolarHBondContact O-N 3.03Å; E399-F401 VanDerWaalsContact C-N 3.32Å; E399-F401 PolarHBondContact O-N 2.98Å; E399-C402 PolarHBondContact O-N 2.99Å; E399-I403 WeakPolarHBondContact O-CB 2.97Å; E399-I403 VanDerWaalsContact O-CG1 3.26Å; E399-I403 WeakPolarHBondContact O-CG1 3.31Å; E399-I403 PolarHBondContact O-N 3.34Å; E399-R519 VanDerWaalsContact OE1-CD 3.28Å; E399-R519 WeakPolarHBondContact OE1-CD 3.48Å; E399-R519 IonicContact OE1-NE 3.6Å; E399-R519 PolarHBondContact OE1-NE 3.24Å; E399-R519 VanDerWaalsContact OE2-CD 3.27Å; E399-R519 WeakPolarHBondContact OE2-CD 3.3Å; E399-R519 IonicContact OE2-CZ 3.04Å; E399-R519 IonicContact OE2-NE 2.71Å; E399-R519 PolarHBondContact OE2-NE 3Å; E399-R519 VanDerWaalsContact OE2-NE 3.12Å
400Q86.1Confident84.6Confident13 Ų1327.7 Ų27.76%0.06113%0.132CC..Hα-helixtrans-62.9-38.3175.9-78.363.753.500111.5E391 F393 N396 G397 C402 I403 N404 Y511E391-Q400 HydrophobicContact CB-CG 4Å; E391-Q400 PolarHBondContact OE2-NE2 2.82Å; F393-Q400 HydrophobicContact CD2-CG 3.91Å; F393-Q400 HydrophobicContact CE2-CG 4.11Å; N396-Q400 HydrophobicContact CB-CB 3.91Å; N396-Q400 HydrophobicContact CB-CG 4.26Å; G397-Q400 VanDerWaalsContact N-OE1 3.09Å; G397-Q400 PolarHBondContact O-N 3Å; Q400-C402 PolarHBondContact O-N 2.77Å; Q400-I403 PolarHBondContact O-N 3.28Å; Q400-N404 VanDerWaalsContact O-CB 3.27Å; Q400-N404 WeakPolarHBondContact O-CB 3.2Å; Q400-N404 PolarHBondContact O-N 2.9Å; Q400-N404 PolarHBondContact O-ND2 3.01Å; Q400-Y511 HydrophobicContact CB-CE1 4.13Å
401F90.8Very high84.8Confident0 Ų027.7 Ų27.70%013%0.132CC..Hα-helixtrans-59.7-44.5175.6165-101.4000112G397 F398 E399 F405 I448 I457 M458 F500 I502 Y511 F516G397-F401 PolarHBondContact O-N 2.96Å; G397-F401 VanDerWaalsContact O-N 3.1Å; F398-F401 HydrophobicContact CD2-CD1 4.14Å; F398-F401 HydrophobicContact CE2-CD1 4.4Å; F398-F401 WeakPolarHBondContact O-CB 3.42Å; F398-F401 PolarHBondContact O-N 3.39Å; E399-F401 VanDerWaalsContact C-N 3.32Å; E399-F401 PolarHBondContact O-N 2.98Å; F401-F405 WeakPolarHBondContact O-CB 3.36Å; F401-F405 PolarHBondContact O-N 3.45Å; F401-I448 HydrophobicContact CE2-CG1 4.19Å; F401-I448 HydrophobicContact CE2-CG2 4.09Å; F401-I448 HydrophobicContact CZ-CG2 3.75Å; F401-I457 HydrophobicContact CE2-CB 4.42Å; F401-I457 HydrophobicContact CE2-CD1 4.31Å; F401-I457 HydrophobicContact CE2-CG2 3.89Å; F401-I457 HydrophobicContact CZ-CB 4.12Å; F401-I457 HydrophobicContact CZ-CG2 3.59Å; F401-M458 HydrophobicContact CE1-CE 3.84Å; F401-M458 HydrophobicContact CE1-CG 4.07Å; F401-M458 HydrophobicContact CZ-CE 4.29Å; F401-M458 HydrophobicContact CZ-CG 4.12Å; F401-F500 HydrophobicContact CD2-CE2 4.21Å; F401-F500 HydrophobicContact CD2-CZ 4.26Å; F401-F500 HydrophobicContact CE2-CE2 4.36Å; F401-F500 HydrophobicContact CE2-CZ 4.42Å; F401-I502 HydrophobicContact CD2-CD1 3.99Å; F401-I502 HydrophobicContact CE2-CD1 3.8Å; F401-Y511 VanDerWaalsContact CA-CE1 3.43Å; F401-Y511 HydrophobicContact CB-CD1 3.84Å; F401-Y511 HydrophobicContact CB-CE1 3.67Å; F401-Y511 HydrophobicContact CB-CG 4.43Å; F401-Y511 HydrophobicContact CD2-CE2 4.36Å; F401-F516 HydrophobicContact CB-CE1 4.31Å; F401-F516 HydrophobicContact CB-CZ 3.84Å; F401-F516 AromaticContact CD1-CE1 3.87Å; F401-F516 HydrophobicContact CD1-CE1 3.87Å; F401-F516 HydrophobicContact CD1-CZ 4.27Å; F401-F516 HydrophobicContact CE1-CE1 4.32Å; F401-F516 HydrophobicContact CG-CE1 4.05Å; F401-F516 HydrophobicContact CG-CZ 4.04Å
402C87Confident85.1Confident7 Ų728.5 Ų28.55%0.04714%0.135CC..Hα-helixtrans-71.1-37.2175.8-68.90000113.3F398 E399 Q400 V406 I563F398-C402 PolarHBondContact O-N 3.13Å; F398-C402 PolarHBondContact O-SG 2.8Å; F398-C402 VanDerWaalsContact O-SG 3.41Å; E399-C402 PolarHBondContact O-N 2.99Å; Q400-C402 PolarHBondContact O-N 2.77Å; C402-V406 PolarHBondContact O-N 2.73Å; C402-I563 HydrophobicContact CB-CD1 3.88Å; C402-I563 HydrophobicContact CB-CG2 4.14Å; C402-I563 WeakPolarHBondContact SG-CD1 3.28Å
403I83.9Confident85.2Confident11 Ų1126.4 Ų26.46%0.05613%0.125CC..Hα-helixtrans-59.5-46.9173.2-77.7166.1000111.1Y388 G389 E391 E399 Q400 V406 N407Y388-I403 HydrophobicContact CD1-CG1 4.38Å; Y388-I403 HydrophobicContact CD2-CB 4.18Å; Y388-I403 HydrophobicContact CD2-CG1 4.01Å; Y388-I403 HydrophobicContact CD2-CG2 3.63Å; Y388-I403 HydrophobicContact CE1-CG1 4.06Å; Y388-I403 HydrophobicContact CE2-CB 3.81Å; Y388-I403 HydrophobicContact CE2-CG1 3.7Å; Y388-I403 HydrophobicContact CE2-CG2 3.72Å; Y388-I403 HydrophobicContact CG-CG1 4.34Å; Y388-I403 HydrophobicContact CG-CG2 4.47Å; G389-I403 WeakPolarHBondContact O-CG2 3.3Å; E391-I403 HydrophobicContact CB-CG2 4.15Å; E391-I403 HydrophobicContact CG-CG2 3.94Å; E391-I403 WeakPolarHBondContact OE2-CD1 3.34Å; E399-I403 WeakPolarHBondContact O-CB 2.97Å; E399-I403 VanDerWaalsContact O-CG1 3.26Å; E399-I403 WeakPolarHBondContact O-CG1 3.31Å; E399-I403 PolarHBondContact O-N 3.34Å; Q400-I403 PolarHBondContact O-N 3.28Å; I403-V406 PolarHBondContact O-N 3.22Å; I403-N407 PolarHBondContact O-N 2.76Å; I403-N407 PolarHBondContact O-ND2 3.31Å
404N88.6Confident85.2Confident0 Ų024.9 Ų24.90%012%0.118CC..Hα-helixtrans-73.4-37.8-177.9-69.4-17.7000111.9F390 E391 Q400 V406 N407 E408 Y511F390-N404 HydrophobicContact CD2-CB 4.18Å; F390-N404 HydrophobicContact CE1-CB 4.46Å; F390-N404 HydrophobicContact CE2-CB 3.61Å; F390-N404 WeakPolarHBondContact CG-OD1 3.48Å; F390-N404 HydrophobicContact CZ-CB 3.75Å; F390-N404 VanDerWaalsContact CZ-CG 3.45Å; E391-N404 PolarHBondContact N-OD1 3.23Å; E391-N404 PolarHBondContact O-ND2 3.49Å; E391-N404 PolarHBondContact O-OD1 3.48Å; Q400-N404 VanDerWaalsContact O-CB 3.27Å; Q400-N404 WeakPolarHBondContact O-CB 3.2Å; Q400-N404 PolarHBondContact O-N 2.9Å; Q400-N404 PolarHBondContact O-ND2 3.01Å; N404-V406 VanDerWaalsContact C-N 3.29Å; N404-V406 PolarHBondContact O-N 3.1Å; N404-N407 PolarHBondContact O-N 3.4Å; N404-E408 WeakPolarHBondContact O-CB 3.49Å; N404-E408 PolarHBondContact O-N 3.05Å; N404-Y511 WeakPolarHBondContact CB-OH 3.33Å; N404-Y511 PolarHBondContact ND2-OH 2.86Å
405F89.9Confident85.2Confident0 Ų015.5 Ų15.50%08%0.075CC..Hα-helixtrans-55.4-41.3171.1169.1-115.5000112.9F401 E408 K409 I448 E449 M458 I563 A567F401-F405 WeakPolarHBondContact O-CB 3.36Å; F401-F405 PolarHBondContact O-N 3.45Å; F405-E408 WeakPolarHBondContact O-CB 3.48Å; F405-E408 PolarHBondContact O-N 3Å; F405-K409 HydrophobicContact CD2-CG 4.41Å; F405-K409 HydrophobicContact CE1-CG 4.46Å; F405-K409 HydrophobicContact CE2-CG 3.95Å; F405-K409 HydrophobicContact CZ-CD 4.49Å; F405-K409 HydrophobicContact CZ-CG 3.99Å; F405-K409 WeakPolarHBondContact O-CG 3.35Å; F405-K409 PolarHBondContact O-N 3.16Å; F405-I448 HydrophobicContact CB-CD1 4.27Å; F405-I448 HydrophobicContact CB-CG2 4.19Å; F405-I448 HydrophobicContact CD2-CB 3.84Å; F405-I448 HydrophobicContact CD2-CD1 4.01Å; F405-I448 HydrophobicContact CD2-CG2 3.36Å; F405-I448 HydrophobicContact CE2-CB 4.2Å; F405-I448 HydrophobicContact CE2-CG2 3.83Å; F405-I448 HydrophobicContact CG-CG2 3.82Å; F405-E449 HydrophobicContact CE2-CB 3.87Å; F405-E449 HydrophobicContact CZ-CB 3.87Å; F405-M458 HydrophobicContact CB-CE 4.37Å; F405-M458 HydrophobicContact CD1-CE 3.58Å; F405-M458 HydrophobicContact CD1-SD 4.5Å; F405-M458 HydrophobicContact CE1-CE 3.95Å; F405-M458 HydrophobicContact CE1-SD 4.29Å; F405-M458 HydrophobicContact CG-CE 3.94Å; F405-I563 HydrophobicContact CD1-CG2 4.48Å; F405-A567 HydrophobicContact CE1-CB 4.3Å
406V85.9Confident85.1Confident4 Ų411.7 Ų11.72%0.0246%0.059CC..Hα-helixtrans-76.4-30.8-179.4174.60000112.3L191 C402 I403 N404 L410 A567L191-V406 HydrophobicContact CD1-CB 4.22Å; L191-V406 HydrophobicContact CD1-CG1 4.08Å; L191-V406 HydrophobicContact CD1-CG2 3.69Å; C402-V406 PolarHBondContact O-N 2.73Å; I403-V406 PolarHBondContact O-N 3.22Å; N404-V406 VanDerWaalsContact C-N 3.29Å; N404-V406 PolarHBondContact O-N 3.1Å; V406-L410 HydrophobicContact CG1-CD1 4.16Å; V406-L410 WeakPolarHBondContact O-CD1 3.45Å; V406-L410 WeakPolarHBondContact O-CG 3.28Å; V406-L410 PolarHBondContact O-N 3.38Å; V406-L410 VanDerWaalsContact O-N 3.08Å; V406-A567 HydrophobicContact CG2-CB 3.94Å
407N85.3Confident84.6Confident6 Ų614.3 Ų14.33%0.0327%0.073CC..Hα-helixtrans-66.2-42.4168-81.5-93.7000111.7F390 I403 N404 K409 L410 Q411 Y505F390-N407 HydrophobicContact CB-CB 4.48Å; F390-N407 HydrophobicContact CD2-CB 3.8Å; F390-N407 PolarHBondContact N-OD1 3.48Å; I403-N407 PolarHBondContact O-N 2.76Å; I403-N407 PolarHBondContact O-ND2 3.31Å; N404-N407 PolarHBondContact O-N 3.4Å; N407-K409 VanDerWaalsContact C-N 3.35Å; N407-K409 PolarHBondContact O-N 2.83Å; N407-L410 PolarHBondContact O-N 3.23Å; N407-Q411 WeakPolarHBondContact O-CB 3.32Å; N407-Q411 PolarHBondContact O-N 2.9Å; N407-Y505 HydrophobicContact CB-CE1 4.31Å
408E88.2Confident83.9Confident0 Ų014 Ų140%07%0.069CC..Hα-helixtrans-56.4-46.9174.1-16273.5-112.700111.3N404 F405 Q411 Q412 N441 V444 H504 Y505N404-E408 WeakPolarHBondContact O-CB 3.49Å; N404-E408 PolarHBondContact O-N 3.05Å; F405-E408 WeakPolarHBondContact O-CB 3.48Å; F405-E408 PolarHBondContact O-N 3Å; E408-Q411 PolarHBondContact O-N 2.67Å; E408-Q412 PolarHBondContact O-N 3.41Å; E408-N441 WeakPolarHBondContact OE1-CB 3.23Å; E408-N441 PolarHBondContact OE1-ND2 2.85Å; E408-V444 HydrophobicContact CG-CB 3.97Å; E408-V444 HydrophobicContact CG-CG1 3.95Å; E408-H504 WeakPolarHBondContact OE2-CB 3.45Å; E408-H504 IonicContact OE2-CE1 2.67Å; E408-H504 IonicContact OE2-CG 3.45Å; E408-H504 IonicContact OE2-ND1 3.88Å; E408-H504 PolarHBondContact OE2-ND1 3.19Å; E408-Y505 WeakPolarHBondContact OE1-CD1 3.36Å; E408-Y505 PolarHBondContact OE2-N 3.35Å
409K87.5Confident83.3Confident24 Ų2413.8 Ų13.810%0.1047%0.068CC..Hα-helixtrans-57.4-47.8174-84.8-79.7-174.6168.50112.9F405 N407 Q411 Q412 I413 E449 N568F405-K409 HydrophobicContact CD2-CG 4.41Å; F405-K409 HydrophobicContact CE1-CG 4.46Å; F405-K409 HydrophobicContact CE2-CG 3.95Å; F405-K409 HydrophobicContact CZ-CD 4.49Å; F405-K409 HydrophobicContact CZ-CG 3.99Å; F405-K409 WeakPolarHBondContact O-CG 3.35Å; F405-K409 PolarHBondContact O-N 3.16Å; N407-K409 VanDerWaalsContact C-N 3.35Å; N407-K409 PolarHBondContact O-N 2.83Å; K409-Q411 VanDerWaalsContact C-N 3.35Å; K409-Q412 WeakPolarHBondContact O-CB 3.44Å; K409-Q412 PolarHBondContact O-N 2.95Å; K409-I413 WeakPolarHBondContact O-CG1 3.47Å; K409-I413 PolarHBondContact O-N 3.47Å; K409-I413 VanDerWaalsContact O-N 3.09Å; K409-E449 WeakPolarHBondContact CE-OE1 3.38Å; K409-E449 VanDerWaalsContact NZ-CD 3.31Å; K409-E449 IonicContact NZ-OE1 2.86Å; K409-E449 PolarHBondContact NZ-OE1 3.06Å; K409-E449 IonicContact NZ-OE2 3.66Å; K409-E449 PolarHBondContact NZ-OE2 3.43Å; K409-N568 PolarHBondContact NZ-OD1 3.35Å
410L84.4Confident83.1Confident12 Ų1215.5 Ų15.56%0.0638%0.075CC..Hα-helixtrans-70.3-32.5-178.6-71.5163.7000112.1L385 I387 V406 N407 I413 F414 L570 L574L385-L410 HydrophobicContact CD2-CD1 4.2Å; L385-L410 HydrophobicContact CD2-CD2 3.83Å; I387-L410 HydrophobicContact CD1-CD1 3.43Å; I387-L410 VanDerWaalsContact CD1-CD1 3.43Å; I387-L410 HydrophobicContact CG1-CD1 4.28Å; I387-L410 HydrophobicContact CG2-CD1 4.33Å; V406-L410 HydrophobicContact CG1-CD1 4.16Å; V406-L410 WeakPolarHBondContact O-CD1 3.45Å; V406-L410 WeakPolarHBondContact O-CG 3.28Å; V406-L410 PolarHBondContact O-N 3.38Å; V406-L410 VanDerWaalsContact O-N 3.08Å; N407-L410 PolarHBondContact O-N 3.23Å; L410-I413 HydrophobicContact CD2-CD1 3.95Å; L410-I413 PolarHBondContact O-N 2.81Å; L410-F414 PolarHBondContact O-N 3.18Å; L410-F414 VanDerWaalsContact O-N 3.08Å; L410-L570 HydrophobicContact CD2-CD2 4.4Å; L410-L574 HydrophobicContact CD2-CD1 3.63Å
411Q83.4Confident82.6Confident9 Ų916.7 Ų16.74%0.0429%0.087CC..Hα-helixtrans-69-37.9172.1-17170-7.600111.9N407 E408 K409 I413 F414 I415 N441 Y505 R583N407-Q411 WeakPolarHBondContact O-CB 3.32Å; N407-Q411 PolarHBondContact O-N 2.9Å; E408-Q411 PolarHBondContact O-N 2.67Å; K409-Q411 VanDerWaalsContact C-N 3.35Å; Q411-I413 PolarHBondContact O-N 3.49Å; Q411-F414 PolarHBondContact O-N 3.21Å; Q411-I415 HydrophobicContact CG-CD1 4.09Å; Q411-I415 WeakPolarHBondContact O-CG1 3.37Å; Q411-I415 PolarHBondContact O-N 3.13Å; Q411-N441 WeakPolarHBondContact CG-ND2 3.5Å; Q411-Y505 HydrophobicContact CB-CD1 4.45Å; Q411-Y505 HydrophobicContact CB-CD2 4.38Å; Q411-Y505 HydrophobicContact CB-CE1 4.23Å; Q411-Y505 HydrophobicContact CB-CE2 4.16Å; Q411-Y505 HydrophobicContact CG-CD2 3.76Å; Q411-Y505 HydrophobicContact CG-CE2 3.82Å; Q411-Y505 HydrophobicContact CG-CG 4.14Å; Q411-R583 VanDerWaalsContact OE1-NH1 3.09Å
412Q86.1Confident81.9Confident19 Ų1916.9 Ų16.99%0.0899%0.088CC..Hα-helixtrans-59.4-44.1170.8179.159.625.800112E408 K409 F414 I415 E416 N440 N441 K442E408-Q412 PolarHBondContact O-N 3.41Å; K409-Q412 WeakPolarHBondContact O-CB 3.44Å; K409-Q412 PolarHBondContact O-N 2.95Å; Q412-F414 VanDerWaalsContact C-N 3.35Å; Q412-F414 PolarHBondContact O-N 3.17Å; Q412-I415 PolarHBondContact O-N 3.3Å; Q412-E416 WeakPolarHBondContact O-CB 3.43Å; Q412-E416 PolarHBondContact O-N 3.03Å; Q412-N440 PolarHBondContact NE2-OD1 3.26Å; Q412-N440 PolarHBondContact OE1-OD1 3.02Å; Q412-N441 HydrophobicContact CB-CB 4.07Å; Q412-K442 HydrophobicContact CG-CB 4.47Å
413I82.3Confident81.5Confident6 Ų617.5 Ų17.53%0.0319%0.09CC..Hα-helixtrans-59.6-45.6175.8-62.4164.7000110.9K409 L410 Q411 I415 E416 L417 V571 L574 M575K409-I413 WeakPolarHBondContact O-CG1 3.47Å; K409-I413 PolarHBondContact O-N 3.47Å; K409-I413 VanDerWaalsContact O-N 3.09Å; L410-I413 HydrophobicContact CD2-CD1 3.95Å; L410-I413 PolarHBondContact O-N 2.81Å; Q411-I413 PolarHBondContact O-N 3.49Å; I413-I415 VanDerWaalsContact C-N 3.33Å; I413-I415 PolarHBondContact O-N 2.84Å; I413-E416 PolarHBondContact O-N 2.95Å; I413-L417 HydrophobicContact CG2-CD1 3.61Å; I413-L417 HydrophobicContact CG2-CG 4.15Å; I413-L417 WeakPolarHBondContact O-CB 3.42Å; I413-L417 WeakPolarHBondContact O-CG 3.5Å; I413-L417 PolarHBondContact O-N 2.98Å; I413-V571 HydrophobicContact CD1-CB 4.02Å; I413-V571 HydrophobicContact CD1-CG1 4Å; I413-V571 HydrophobicContact CD1-CG2 3.49Å; I413-V571 VanDerWaalsContact CD1-CG2 3.49Å; I413-V571 HydrophobicContact CG1-CG1 4.18Å; I413-V571 HydrophobicContact CG1-CG2 4.21Å; I413-L574 HydrophobicContact CD1-CD1 4.22Å; I413-M575 HydrophobicContact CG1-CE 4.49Å; I413-M575 HydrophobicContact CG2-CE 4.15Å
414F80.3Confident81.5Confident6 Ų621.1 Ų21.13%0.02611%0.107CC..Hα-helixtrans-58.7-44.6176.6167.7-100.6000111.7V53 L410 Q411 Q412 T418 Y581 N613V53-F414 HydrophobicContact CG2-CE2 4.36Å; L410-F414 PolarHBondContact O-N 3.18Å; L410-F414 VanDerWaalsContact O-N 3.08Å; Q411-F414 PolarHBondContact O-N 3.21Å; Q412-F414 VanDerWaalsContact C-N 3.35Å; Q412-F414 PolarHBondContact O-N 3.17Å; F414-T418 WeakPolarHBondContact CD2-OG1 3.47Å; F414-T418 HydrophobicContact CE2-CG2 4.34Å; F414-T418 WeakPolarHBondContact O-CA 3.12Å; F414-T418 WeakPolarHBondContact O-CB 3.19Å; F414-T418 PolarHBondContact O-N 3.3Å; F414-T418 PolarHBondContact O-OG1 3.14Å; F414-Y581 HydrophobicContact CB-CE1 4.03Å; F414-Y581 AromaticContact CD2-CD1 3.63Å; F414-Y581 HydrophobicContact CD2-CD1 3.63Å; F414-Y581 AromaticContact CD2-CD2 3.93Å; F414-Y581 HydrophobicContact CD2-CD2 3.93Å; F414-Y581 AromaticContact CD2-CE1 3.62Å; F414-Y581 HydrophobicContact CD2-CE1 3.62Å; F414-Y581 AromaticContact CD2-CE2 3.92Å; F414-Y581 HydrophobicContact CD2-CE2 3.92Å; F414-Y581 AromaticContact CD2-CG 3.79Å; F414-Y581 HydrophobicContact CD2-CG 3.79Å; F414-Y581 AromaticContact CD2-CZ 3.77Å; F414-Y581 HydrophobicContact CE2-CD1 4.28Å; F414-Y581 HydrophobicContact CE2-CD2 4.11Å; F414-Y581 HydrophobicContact CE2-CE2 4.45Å; F414-Y581 HydrophobicContact CE2-CG 4.02Å; F414-Y581 HydrophobicContact CG-CE1 4.32Å; F414-N613 VanDerWaalsContact CZ-ND2 3.34Å; F414-N613 WeakPolarHBondContact CZ-ND2 3.41Å
415I77.6Confident81.2Confident12 Ų1222.4 Ų22.46%0.06211%0.113CC..Hα-helixtrans-66.4-41.5179.7-73.3167.8000111.4Q411 Q412 I413 L419 K420 Y438 N441Q411-I415 HydrophobicContact CG-CD1 4.09Å; Q411-I415 WeakPolarHBondContact O-CG1 3.37Å; Q411-I415 PolarHBondContact O-N 3.13Å; Q412-I415 PolarHBondContact O-N 3.3Å; I413-I415 VanDerWaalsContact C-N 3.33Å; I413-I415 PolarHBondContact O-N 2.84Å; I415-L419 HydrophobicContact CG1-CD1 4.18Å; I415-L419 HydrophobicContact CG2-CD1 4.36Å; I415-L419 WeakPolarHBondContact O-CA 3.4Å; I415-L419 WeakPolarHBondContact O-CB 3.46Å; I415-L419 PolarHBondContact O-N 2.96Å; I415-K420 PolarHBondContact O-N 3.41Å; I415-Y438 HydrophobicContact CG2-CD2 3.33Å; I415-Y438 HydrophobicContact CG2-CE2 3.29Å; I415-Y438 HydrophobicContact CG2-CG 4.38Å; I415-N441 WeakPolarHBondContact CD1-OD1 3.31Å
416E78.6Confident81Confident62 Ų6222.6 Ų22.629%0.2911%0.114SC..Iπ-helixtrans-66.8-49.9178.2-175.6136.3-13300112.2Q412 I413 K420 A421Q412-E416 WeakPolarHBondContact O-CB 3.43Å; Q412-E416 PolarHBondContact O-N 3.03Å; I413-E416 PolarHBondContact O-N 2.95Å; E416-K420 HydrophobicContact CG-CD 4.24Å; E416-K420 WeakPolarHBondContact O-CB 3.45Å; E416-K420 IonicContact OE1-NZ 3.09Å; E416-K420 PolarHBondContact OE1-NZ 3.43Å; E416-A421 WeakPolarHBondContact O-CB 3.41Å; E416-A421 PolarHBondContact O-N 2.91Å
417L75.4Confident81Confident59 Ų5926.9 Ų26.931%0.30914%0.14SC..Iπ-helixtrans-77.2-25.2-178.4-65.4-179.1000114I413 M575 P579I413-L417 HydrophobicContact CG2-CD1 3.61Å; I413-L417 HydrophobicContact CG2-CG 4.15Å; I413-L417 WeakPolarHBondContact O-CB 3.42Å; I413-L417 WeakPolarHBondContact O-CG 3.5Å; I413-L417 PolarHBondContact O-N 2.98Å; L417-M575 HydrophobicContact CD1-CE 4.37Å; L417-M575 HydrophobicContact CD1-SD 3.88Å; L417-M575 HydrophobicContact CD2-CE 4.28Å; L417-M575 HydrophobicContact CD2-SD 3.77Å; L417-M575 HydrophobicContact CG-CE 4.25Å; L417-M575 HydrophobicContact CG-SD 4.1Å; L417-P579 HydrophobicContact CD1-CG 4.06Å
418T72.8Confident81.1Confident4 Ų432.5 Ų32.53%0.02517%0.166CC..Iπ-helixtrans-99.1-49.7-178.2-45.80000112.4F414 E422F414-T418 WeakPolarHBondContact CD2-OG1 3.47Å; F414-T418 HydrophobicContact CE2-CG2 4.34Å; F414-T418 WeakPolarHBondContact O-CA 3.12Å; F414-T418 WeakPolarHBondContact O-CB 3.19Å; F414-T418 PolarHBondContact O-N 3.3Å; F414-T418 PolarHBondContact O-OG1 3.14Å; T418-E422 VanDerWaalsContact O-CB 3.26Å; T418-E422 WeakPolarHBondContact O-CB 3.42Å
419L73.8Confident81.1Confident6 Ų633.2 Ų33.23%0.03117%0.169CC..Iπ-helixtrans-97.1-44.6-169.4-46.1-174.5000111.9I415 Q423 Y438 V616I415-L419 HydrophobicContact CG1-CD1 4.18Å; I415-L419 HydrophobicContact CG2-CD1 4.36Å; I415-L419 WeakPolarHBondContact O-CA 3.4Å; I415-L419 WeakPolarHBondContact O-CB 3.46Å; I415-L419 PolarHBondContact O-N 2.96Å; L419-Q423 WeakPolarHBondContact O-CG 3.45Å; L419-Q423 PolarHBondContact O-N 3.34Å; L419-Q423 PolarHBondContact O-NE2 2.98Å; L419-Y438 HydrophobicContact CB-CD1 4.43Å; L419-Y438 HydrophobicContact CD1-CG 4.18Å; L419-V616 HydrophobicContact CD2-CB 4Å; L419-V616 HydrophobicContact CD2-CG1 4.07Å; L419-V616 HydrophobicContact CD2-CG2 3.99Å
420K78Confident81.1Confident66 Ų6634.2 Ų34.229%0.28719%0.186SC..Iπ-helixtrans-71.7-53.8-179.9179.1-176.6157.3-169.90111.3I415 E416 E422 Q423 E424I415-K420 PolarHBondContact O-N 3.41Å; E416-K420 HydrophobicContact CG-CD 4.24Å; E416-K420 WeakPolarHBondContact O-CB 3.45Å; E416-K420 IonicContact OE1-NZ 3.09Å; E416-K420 PolarHBondContact OE1-NZ 3.43Å; K420-E422 VanDerWaalsContact C-N 3.26Å; K420-E422 PolarHBondContact O-N 2.9Å; K420-Q423 PolarHBondContact O-N 3.11Å; K420-Q423 VanDerWaalsContact O-N 3.09Å; K420-E424 WeakPolarHBondContact CE-OE1 3.08Å; K420-E424 HydrophobicContact CG-CG 4.33Å; K420-E424 IonicContact NZ-OE1 3.94Å; K420-E424 WeakPolarHBondContact O-CG 3.45Å; K420-E424 PolarHBondContact O-N 3.02Å
421A76.2Confident81.3Confident38 Ų3834.2 Ų34.231%0.31419%0.186SC..Hα-helixtrans-59-33.9-178.600000113.6E416 E425E416-A421 WeakPolarHBondContact O-CB 3.41Å; E416-A421 PolarHBondContact O-N 2.91Å; A421-E425 WeakPolarHBondContact O-CB 3.48Å; A421-E425 PolarHBondContact O-N 3.46Å
422E75.4Confident81.2Confident3 Ų342.3 Ų42.31%0.01422%0.221CC..Hα-helixtrans-68.7-42175.2171.2155.3-17100112.8T418 K420 E425 Y426 R617 R624T418-E422 VanDerWaalsContact O-CB 3.26Å; T418-E422 WeakPolarHBondContact O-CB 3.42Å; K420-E422 VanDerWaalsContact C-N 3.26Å; K420-E422 PolarHBondContact O-N 2.9Å; E422-E425 PolarHBondContact O-N 2.89Å; E422-Y426 HydrophobicContact CG-CD2 4.08Å; E422-Y426 HydrophobicContact CG-CE2 3.33Å; E422-Y426 WeakPolarHBondContact O-CD2 3.44Å; E422-Y426 PolarHBondContact O-N 2.77Å; E422-Y426 VanDerWaalsContact O-N 3.07Å; E422-Y426 PolarHBondContact OE1-OH 2.92Å; E422-R617 IonicContact OE1-NH1 2.62Å; E422-R617 IonicContact OE2-CZ 3.02Å; E422-R617 IonicContact OE2-NH1 3.93Å; E422-R617 PolarHBondContact OE2-NH1 2.94Å; E422-R617 IonicContact OE2-NH2 3.12Å; E422-R624 IonicContact OE1-NH1 3.7Å; E422-R624 IonicContact OE2-NH1 3.3Å
423Q79Confident80.7Confident21 Ų2144.2 Ų44.210%0.09823%0.228CC..Hα-helixtrans-68.5-39.7176.3-69.5-17993.400111.5L419 K420 Y426 V427 W433 I436L419-Q423 WeakPolarHBondContact O-CG 3.45Å; L419-Q423 PolarHBondContact O-N 3.34Å; L419-Q423 PolarHBondContact O-NE2 2.98Å; K420-Q423 PolarHBondContact O-N 3.11Å; K420-Q423 VanDerWaalsContact O-N 3.09Å; Q423-Y426 PolarHBondContact O-N 2.97Å; Q423-V427 WeakPolarHBondContact O-CG2 3.41Å; Q423-V427 PolarHBondContact O-N 3.34Å; Q423-V427 VanDerWaalsContact O-N 3.09Å; Q423-W433 HydrophobicContact CB-CH2 3.42Å; Q423-W433 VanDerWaalsContact CB-CH2 3.42Å; Q423-W433 HydrophobicContact CB-CZ2 3.9Å; Q423-W433 HydrophobicContact CB-CZ3 3.96Å; Q423-W433 HydrophobicContact CG-CE3 4.31Å; Q423-W433 HydrophobicContact CG-CH2 3.38Å; Q423-W433 HydrophobicContact CG-CZ2 4.28Å; Q423-W433 HydrophobicContact CG-CZ3 3.38Å; Q423-I436 VanDerWaalsContact OE1-N 3.11Å; Q423-I436 PolarHBondContact OE1-O 2.98Å
424E83.2Confident80.4Confident87 Ų8749 Ų4941%0.40726%0.257SS..Hα-helixtrans-62.9-41.3172.4-72178170.100112K420 V427 Q428K420-E424 WeakPolarHBondContact CE-OE1 3.08Å; K420-E424 HydrophobicContact CG-CG 4.33Å; K420-E424 IonicContact NZ-OE1 3.94Å; K420-E424 WeakPolarHBondContact O-CG 3.45Å; K420-E424 PolarHBondContact O-N 3.02Å; E424-V427 PolarHBondContact O-N 3.27Å; E424-Q428 WeakPolarHBondContact O-CB 3.43Å; E424-Q428 VanDerWaalsContact O-CG 3.26Å; E424-Q428 WeakPolarHBondContact O-CG 3.36Å; E424-Q428 PolarHBondContact O-N 3.21Å
425E83.2Confident80.2Confident27 Ų2753.3 Ų53.313%0.12629%0.286CS..Hα-helixtrans-61.3-43.6174.6-178.8171.9-175.400111.8A421 E422 V427 Q428 E429 R624 K673 F675A421-E425 WeakPolarHBondContact O-CB 3.48Å; A421-E425 PolarHBondContact O-N 3.46Å; E422-E425 PolarHBondContact O-N 2.89Å; E425-V427 VanDerWaalsContact C-N 3.33Å; E425-V427 PolarHBondContact O-N 3.12Å; E425-Q428 PolarHBondContact O-N 3.09Å; E425-E429 HydrophobicContact CG-CG 4.49Å; E425-E429 WeakPolarHBondContact O-CB 3.5Å; E425-E429 PolarHBondContact O-N 2.93Å; E425-R624 IonicContact OE1-NE 3.91Å; E425-R624 IonicContact OE2-CZ 3.18Å; E425-R624 IonicContact OE2-NE 2.76Å; E425-R624 PolarHBondContact OE2-NE 3.2Å; E425-R624 IonicContact OE2-NH1 3.16Å; E425-R624 IonicContact OE2-NH2 2.74Å; E425-R624 PolarHBondContact OE2-NH2 3.13Å; E425-K673 WeakPolarHBondContact OE1-CD 3.31Å; E425-K673 WeakPolarHBondContact OE1-CE 3.44Å; E425-K673 IonicContact OE1-NZ 2.7Å; E425-K673 PolarHBondContact OE1-NZ 3.36Å; E425-F675 HydrophobicContact CG-CZ 4.34Å
426Y84.5Confident80.1Confident3 Ų354.4 Ų54.41%0.01229%0.292CS..Hα-helixtrans-63.6-36.3176.4-64.7-40.5000112.7E422 Q423 G430 I431 W433 G620 F621 F675E422-Y426 HydrophobicContact CG-CD2 4.08Å; E422-Y426 HydrophobicContact CG-CE2 3.33Å; E422-Y426 WeakPolarHBondContact O-CD2 3.44Å; E422-Y426 PolarHBondContact O-N 2.77Å; E422-Y426 VanDerWaalsContact O-N 3.07Å; E422-Y426 PolarHBondContact OE1-OH 2.92Å; Q423-Y426 PolarHBondContact O-N 2.97Å; Y426-G430 PolarHBondContact O-N 2.89Å; Y426-G430 VanDerWaalsContact O-N 3.15Å; Y426-I431 HydrophobicContact CD1-CB 4.14Å; Y426-I431 HydrophobicContact CD1-CG1 4.17Å; Y426-I431 HydrophobicContact CD1-CG2 3.97Å; Y426-I431 HydrophobicContact CG-CB 4.46Å; Y426-I431 HydrophobicContact CG-CG2 4.38Å; Y426-I431 PolarHBondContact O-N 2.88Å; Y426-W433 VanDerWaalsContact CB-CD1 3.43Å; Y426-W433 HydrophobicContact CD2-CD2 4.06Å; Y426-W433 HydrophobicContact CD2-CE3 4.28Å; Y426-W433 HydrophobicContact CD2-CG 4.13Å; Y426-W433 HydrophobicContact CG-CD2 4.47Å; Y426-W433 HydrophobicContact CG-CG 4.22Å; Y426-G620 VanDerWaalsContact OH-CA 3.31Å; Y426-G620 WeakPolarHBondContact OH-CA 3.09Å; Y426-F621 AromaticContact CE1-CD2 3.87Å; Y426-F621 HydrophobicContact CE1-CD2 3.87Å; Y426-F621 PolarHBondContact OH-N 3.48Å; Y426-F675 HydrophobicContact CD1-CD1 4.16Å; Y426-F675 AromaticContact CD1-CE1 3.74Å; Y426-F675 HydrophobicContact CD1-CE1 3.74Å; Y426-F675 HydrophobicContact CD1-CZ 4.35Å; Y426-F675 AromaticContact CE1-CD1 3.67Å; Y426-F675 HydrophobicContact CE1-CD1 3.67Å; Y426-F675 AromaticContact CE1-CE1 3.52Å; Y426-F675 HydrophobicContact CE1-CE1 3.52Å
427V85.9Confident79.9Confident94 Ų9460.5 Ų60.557%0.5732%0.32SS*.Hα-helixtrans-68.3-45.8173172.70000111.5Q423 E424 E425 E429 G430 W433Q423-V427 WeakPolarHBondContact O-CG2 3.41Å; Q423-V427 PolarHBondContact O-N 3.34Å; Q423-V427 VanDerWaalsContact O-N 3.09Å; E424-V427 PolarHBondContact O-N 3.27Å; E425-V427 VanDerWaalsContact C-N 3.33Å; E425-V427 PolarHBondContact O-N 3.12Å; V427-E429 VanDerWaalsContact C-N 3.3Å; V427-E429 PolarHBondContact O-N 3.39Å; V427-G430 PolarHBondContact O-N 3.4Å; V427-W433 HydrophobicContact CG2-CZ2 3.9Å
428Q87.6Confident79.9Confident125 Ų12560.9 Ų60.958%0.58432%0.318SS*.Hα-helixtrans-61.7-37.3178.2-73173.227.500112.4E424 E425 R671E424-Q428 WeakPolarHBondContact O-CB 3.43Å; E424-Q428 VanDerWaalsContact O-CG 3.26Å; E424-Q428 WeakPolarHBondContact O-CG 3.36Å; E424-Q428 PolarHBondContact O-N 3.21Å; E425-Q428 PolarHBondContact O-N 3.09Å; Q428-R671 WeakPolarHBondContact O-CD 3.42Å; Q428-R671 PolarHBondContact O-NH1 3.4Å
429E88.8Confident80.1Confident14 Ų1464.8 Ų64.87%0.06534%0.335CS..THydrogen-bonded Turntrans-86.6-4.8179.8-74.9-77.4146.600113.9E425 V427 I431 G670 R671 T672 K673 F675E425-E429 HydrophobicContact CG-CG 4.49Å; E425-E429 WeakPolarHBondContact O-CB 3.5Å; E425-E429 PolarHBondContact O-N 2.93Å; V427-E429 VanDerWaalsContact C-N 3.3Å; V427-E429 PolarHBondContact O-N 3.39Å; E429-I431 HydrophobicContact CB-CD1 4.43Å; E429-I431 HydrophobicContact CB-CG1 3.89Å; E429-G670 CarbonylContact O-C 3.57Å; E429-G670 VanDerWaalsContact O-CA 3.23Å; E429-G670 WeakPolarHBondContact O-CA 3.38Å; E429-G670 WeakPolarHBondContact OE2-CA 3.45Å; E429-R671 PolarHBondContact O-N 2.98Å; E429-R671 VanDerWaalsContact O-N 3.15Å; E429-R671 PolarHBondContact OE2-N 2.98Å; E429-T672 WeakPolarHBondContact OE1-CB 3.34Å; E429-T672 PolarHBondContact OE1-N 3.16Å; E429-T672 PolarHBondContact OE1-OG1 3.42Å; E429-T672 PolarHBondContact OE2-N 2.67Å; E429-K673 HydrophobicContact CG-CD 4.25Å; E429-K673 PolarHBondContact OE2-N 2.94Å; E429-F675 HydrophobicContact CB-CE2 3.81Å; E429-F675 HydrophobicContact CB-CZ 3.95Å; E429-F675 HydrophobicContact CG-CE2 3.91Å; E429-F675 HydrophobicContact CG-CZ 3.85Å
430G87.4Confident80.5Confident45 Ų4567.6 Ų67.646%0.46435%0.35SS..THydrogen-bonded Turntrans71.329.3178.400000114.3Y426 V427Y426-G430 PolarHBondContact O-N 2.89Å; Y426-G430 VanDerWaalsContact O-N 3.15Å; V427-G430 PolarHBondContact O-N 3.4Å
431I87.2Confident80.9Confident13 Ų1364.6 Ų64.67%0.06734%0.337CS..  trans-74.2152.2-178.1-61.3-57.8000110.7Y426 E429 W433 F621 Q668 F675Y426-I431 HydrophobicContact CD1-CB 4.14Å; Y426-I431 HydrophobicContact CD1-CG1 4.17Å; Y426-I431 HydrophobicContact CD1-CG2 3.97Å; Y426-I431 HydrophobicContact CG-CB 4.46Å; Y426-I431 HydrophobicContact CG-CG2 4.38Å; Y426-I431 PolarHBondContact O-N 2.88Å; E429-I431 HydrophobicContact CB-CD1 4.43Å; E429-I431 HydrophobicContact CB-CG1 3.89Å; I431-W433 HydrophobicContact CG2-CB 4.47Å; I431-F621 HydrophobicContact CG2-CD2 4.13Å; I431-F621 HydrophobicContact CG2-CE2 3.33Å; I431-F621 HydrophobicContact CG2-CZ 3.82Å; I431-Q668 HydrophobicContact CD1-CB 4.31Å; I431-Q668 HydrophobicContact CD1-CG 3.88Å; I431-F675 HydrophobicContact CD1-CD2 3.42Å; I431-F675 VanDerWaalsContact CD1-CD2 3.42Å; I431-F675 HydrophobicContact CD1-CE2 3.64Å; I431-F675 HydrophobicContact CD1-CG 4.09Å; I431-F675 HydrophobicContact CD1-CZ 4.45Å; I431-F675 HydrophobicContact CG1-CD2 3.93Å; I431-F675 HydrophobicContact CG1-CE2 3.75Å; I431-F675 HydrophobicContact CG1-CG 4.4Å; I431-F675 HydrophobicContact CG1-CZ 4.09Å
432K81.7Confident81.5Confident178 Ų17867.2 Ų67.277%0.77434%0.341SS*.  trans-95.4101.3176.4-73.3-176.8177.6-175.80108.5Q668K432-Q668 VanDerWaalsContact N-NE2 3.13Å
433W76.8Confident82.2Confident59 Ų5970.2 Ų70.222%0.22336%0.357CS..  trans-143.2167.3-175.274.1-74.1000109.7Q423 Y426 V427 I431 P435Q423-W433 HydrophobicContact CB-CH2 3.42Å; Q423-W433 VanDerWaalsContact CB-CH2 3.42Å; Q423-W433 HydrophobicContact CB-CZ2 3.9Å; Q423-W433 HydrophobicContact CB-CZ3 3.96Å; Q423-W433 HydrophobicContact CG-CE3 4.31Å; Q423-W433 HydrophobicContact CG-CH2 3.38Å; Q423-W433 HydrophobicContact CG-CZ2 4.28Å; Q423-W433 HydrophobicContact CG-CZ3 3.38Å; Y426-W433 VanDerWaalsContact CB-CD1 3.43Å; Y426-W433 HydrophobicContact CD2-CD2 4.06Å; Y426-W433 HydrophobicContact CD2-CE3 4.28Å; Y426-W433 HydrophobicContact CD2-CG 4.13Å; Y426-W433 HydrophobicContact CG-CD2 4.47Å; Y426-W433 HydrophobicContact CG-CG 4.22Å; V427-W433 HydrophobicContact CG2-CZ2 3.9Å; I431-W433 HydrophobicContact CG2-CB 4.47Å; W433-P435 HydrophobicContact CH2-CB 4.22Å; W433-P435 HydrophobicContact CH2-CG 4.15Å; W433-P435 HydrophobicContact CZ2-CG 4.45Å; W433-P435 HydrophobicContact CZ3-CB 4.45Å
434T75.6Confident82.9Confident106 Ų10669.2 Ų69.265%0.6535%0.352SS*.  trans-111.8123.8-178.9-56.60000109.9I436T434-I436 PolarHBondContact O-N 2.83Å
435P75.5Confident83.3Confident98 Ų9865.3 Ų65.364%0.63633%0.334SS*.  trans-45.1129.2170.6-32.338.3000112.9W433W433-P435 HydrophobicContact CH2-CB 4.22Å; W433-P435 HydrophobicContact CH2-CG 4.15Å; W433-P435 HydrophobicContact CZ2-CG 4.45Å; W433-P435 HydrophobicContact CZ3-CB 4.45Å
436I74.9Confident83.7Confident35 Ų3566.6 Ų66.618%0.17934%0.342CS..  trans-110.5116.7174.5-71.5169.3000107.8Q423 T434 Y438 R615 V616 A619Q423-I436 VanDerWaalsContact OE1-N 3.11Å; Q423-I436 PolarHBondContact OE1-O 2.98Å; T434-I436 PolarHBondContact O-N 2.83Å; I436-Y438 WeakPolarHBondContact O-CD1 3.33Å; I436-R615 HydrophobicContact CD1-CB 4.43Å; I436-V616 HydrophobicContact CB-CG2 4.03Å; I436-V616 HydrophobicContact CD1-CB 4.4Å; I436-V616 HydrophobicContact CD1-CG2 3.88Å; I436-V616 HydrophobicContact CG2-CG2 3.71Å; I436-A619 HydrophobicContact CD1-CB 3.57Å
437E74.6Confident84.1Confident189 Ų18966.8 Ų66.888%0.88334%0.343SS*.  trans-65.2133172.3-64176.817000109.9
438Y75.6Confident84.5Confident68 Ų6862.3 Ų62.327%0.26732%0.316SS..  trans-138.9150.2176.562.3-90.7000108.8I415 L419 I436 N440I415-Y438 HydrophobicContact CG2-CD2 3.33Å; I415-Y438 HydrophobicContact CG2-CE2 3.29Å; I415-Y438 HydrophobicContact CG2-CG 4.38Å; L419-Y438 HydrophobicContact CB-CD1 4.43Å; L419-Y438 HydrophobicContact CD1-CG 4.18Å; I436-Y438 WeakPolarHBondContact O-CD1 3.33Å; Y438-N440 HydrophobicContact CE2-CB 4.5Å
439F77.3Confident84.7Confident86 Ų8657.3 Ų57.338%0.37729%0.292SS..  trans-69.6131.1174.9-179.6-102.7000110.4N441 I443 V444 H492F439-N441 WeakPolarHBondContact CD1-OD1 3.18Å; F439-N441 HydrophobicContact CE1-CB 4.46Å; F439-N441 PolarHBondContact O-OD1 3.01Å; F439-I443 HydrophobicContact CE2-CD1 3.78Å; F439-I443 HydrophobicContact CE2-CG1 4.47Å; F439-I443 HydrophobicContact CZ-CD1 3.91Å; F439-I443 HydrophobicContact CZ-CG1 4.1Å; F439-V444 HydrophobicContact CE1-CG2 4.23Å; F439-V444 HydrophobicContact CZ-CG2 3.94Å; F439-H492 AromaticContact CE2-CE1 3.44Å; F439-H492 VanDerWaalsContact CE2-CE1 3.44Å; F439-H492 WeakPolarHBondContact CE2-CE1 3.37Å; F439-H492 AromaticContact CE2-NE2 3.7Å; F439-H492 AromaticContact CZ-CE1 3.31Å; F439-H492 WeakPolarHBondContact CZ-CE1 3.42Å; F439-H492 AromaticContact CZ-NE2 3.84Å
440N82.1Confident84.7Confident65 Ų6558.6 Ų58.635%0.34830%0.3SS..  trans-101.490.3-177-175.612.8000110.6Q412 Y438 K442 I443Q412-N440 PolarHBondContact NE2-OD1 3.26Å; Q412-N440 PolarHBondContact OE1-OD1 3.02Å; Y438-N440 HydrophobicContact CE2-CB 4.5Å; N440-K442 PolarHBondContact O-N 3.33Å; N440-K442 WeakPolarHBondContact OD1-CB 3.36Å; N440-I443 PolarHBondContact O-N 3.28Å
441N86.5Confident84.4Confident2 Ų263.6 Ų63.61%0.01131%0.309CS..THydrogen-bonded Turntrans-52.4-17.4-177.8-61.550.5000114.6E408 Q411 Q412 I415 F439 I443 V444 C445 Y505E408-N441 WeakPolarHBondContact OE1-CB 3.23Å; E408-N441 PolarHBondContact OE1-ND2 2.85Å; Q411-N441 WeakPolarHBondContact CG-ND2 3.5Å; Q412-N441 HydrophobicContact CB-CB 4.07Å; I415-N441 WeakPolarHBondContact CD1-OD1 3.31Å; F439-N441 WeakPolarHBondContact CD1-OD1 3.18Å; F439-N441 HydrophobicContact CE1-CB 4.46Å; F439-N441 PolarHBondContact O-OD1 3.01Å; N441-I443 PolarHBondContact O-N 3.04Å; N441-I443 VanDerWaalsContact O-N 3.15Å; N441-V444 PolarHBondContact O-N 3.22Å; N441-C445 PolarHBondContact O-N 3.46Å; N441-C445 PolarHBondContact O-SG 3.17Å; N441-Y505 WeakPolarHBondContact ND2-CB 3.43Å
442K88.1Confident84Confident94 Ų9469.3 Ų69.341%0.40934%0.339SS..Hα-helixtrans-49.4-35.8172.4178.8159.7171.650.20113Q412 N440 V444 C445 D446Q412-K442 HydrophobicContact CG-CB 4.47Å; N440-K442 PolarHBondContact O-N 3.33Å; N440-K442 WeakPolarHBondContact OD1-CB 3.36Å; K442-V444 VanDerWaalsContact C-N 3.32Å; K442-V444 PolarHBondContact O-N 3.35Å; K442-C445 WeakPolarHBondContact O-CB 3.1Å; K442-C445 PolarHBondContact O-N 2.95Å; K442-D446 VanDerWaalsContact CE-OD2 3.31Å; K442-D446 WeakPolarHBondContact CE-OD2 3.29Å; K442-D446 WeakPolarHBondContact CG-OD2 3.36Å; K442-D446 IonicContact NZ-OD1 2.9Å; K442-D446 PolarHBondContact NZ-OD1 3.23Å; K442-D446 IonicContact NZ-OD2 3.26Å; K442-D446 PolarHBondContact NZ-OD2 3.28Å; K442-D446 WeakPolarHBondContact O-CB 3.22Å; K442-D446 PolarHBondContact O-N 3.05Å
443I91.3Very high83.7Confident66 Ų6666.3 Ų66.334%0.33834%0.34SS..Hα-helixtrans-65.1-35.1178.668.7-171.7000112.6F439 N440 N441 L447 H492F439-I443 HydrophobicContact CE2-CD1 3.78Å; F439-I443 HydrophobicContact CE2-CG1 4.47Å; F439-I443 HydrophobicContact CZ-CD1 3.91Å; F439-I443 HydrophobicContact CZ-CG1 4.1Å; N440-I443 PolarHBondContact O-N 3.28Å; N441-I443 PolarHBondContact O-N 3.04Å; N441-I443 VanDerWaalsContact O-N 3.15Å; I443-L447 WeakPolarHBondContact O-CB 3.36Å; I443-L447 PolarHBondContact O-N 2.73Å; I443-H492 WeakPolarHBondContact CD1-NE2 3.43Å
444V92.4Very high83.8Confident0 Ų067.5 Ų67.50%036%0.356CS..Hα-helixtrans-77.5-36.2175-170.60000110.7E408 F439 N441 K442 I448 H492 I502E408-V444 HydrophobicContact CG-CB 3.97Å; E408-V444 HydrophobicContact CG-CG1 3.95Å; F439-V444 HydrophobicContact CE1-CG2 4.23Å; F439-V444 HydrophobicContact CZ-CG2 3.94Å; N441-V444 PolarHBondContact O-N 3.22Å; K442-V444 VanDerWaalsContact C-N 3.32Å; K442-V444 PolarHBondContact O-N 3.35Å; V444-I448 HydrophobicContact CG1-CD1 4.19Å; V444-I448 WeakPolarHBondContact O-CG1 3.37Å; V444-I448 PolarHBondContact O-N 2.87Å; V444-I448 VanDerWaalsContact O-N 3.17Å; V444-H492 HydrophobicContact CG2-CB 4.32Å; V444-I502 HydrophobicContact CG1-CG2 3.88Å
445C91.7Very high84.4Confident4 Ų464.7 Ų64.73%0.02734%0.339CS..Hα-helixtrans-61.2-47.9173.1-660000111.5N441 K442 I448 E449N441-C445 PolarHBondContact O-N 3.46Å; N441-C445 PolarHBondContact O-SG 3.17Å; K442-C445 WeakPolarHBondContact O-CB 3.1Å; K442-C445 PolarHBondContact O-N 2.95Å; C445-I448 PolarHBondContact O-N 2.71Å; C445-E449 WeakPolarHBondContact O-CB 3.49Å; C445-E449 WeakPolarHBondContact O-CG 3.4Å; C445-E449 PolarHBondContact O-N 3.29Å
446D91.9Very high85.2Confident54 Ų5460.1 Ų60.129%0.28931%0.309SS..Hα-helixtrans-67.2-42.2-179.5-69-15.4000111.2K442 I448 E449 N450K442-D446 VanDerWaalsContact CE-OD2 3.31Å; K442-D446 WeakPolarHBondContact CE-OD2 3.29Å; K442-D446 WeakPolarHBondContact CG-OD2 3.36Å; K442-D446 IonicContact NZ-OD1 2.9Å; K442-D446 PolarHBondContact NZ-OD1 3.23Å; K442-D446 IonicContact NZ-OD2 3.26Å; K442-D446 PolarHBondContact NZ-OD2 3.28Å; K442-D446 WeakPolarHBondContact O-CB 3.22Å; K442-D446 PolarHBondContact O-N 3.05Å; D446-I448 PolarHBondContact O-N 3.47Å; D446-E449 PolarHBondContact O-N 2.83Å; D446-N450 WeakPolarHBondContact O-CB 3.04Å; D446-N450 PolarHBondContact O-N 3.25Å
447L93.6Very high86.1Confident8 Ų858.5 Ų58.54%0.04230%0.301CS..Hα-helixtrans-50.3-42.5170168.666.5000112.1I443 G456 I457 V487 H490 H492 F493 I502I443-L447 WeakPolarHBondContact O-CB 3.36Å; I443-L447 PolarHBondContact O-N 2.73Å; L447-G456 CarbonylContact O-C 3.59Å; L447-G456 WeakPolarHBondContact O-CA 3.44Å; L447-I457 HydrophobicContact CD1-CD1 4.33Å; L447-I457 HydrophobicContact CD1-CG1 4.42Å; L447-I457 HydrophobicContact CG-CD1 4.1Å; L447-I457 PolarHBondContact O-N 3.17Å; L447-V487 HydrophobicContact CD1-CB 3.8Å; L447-V487 HydrophobicContact CD1-CG1 3.92Å; L447-V487 HydrophobicContact CD1-CG2 4.19Å; L447-H490 HydrophobicContact CD1-CB 4.21Å; L447-H492 HydrophobicContact CD2-CB 3.97Å; L447-F493 HydrophobicContact CD1-CB 4.24Å; L447-F493 HydrophobicContact CD2-CB 4.2Å; L447-I502 HydrophobicContact CD2-CG2 4.33Å
448I93.8Very high86.9Confident0 Ų049.7 Ų49.70%026%0.26CS..Hα-helixtrans-78.2-43.5-178.6-67.4166.9000111.3F401 F405 V444 C445 D446 I457 M458 I502F401-I448 HydrophobicContact CE2-CG1 4.19Å; F401-I448 HydrophobicContact CE2-CG2 4.09Å; F401-I448 HydrophobicContact CZ-CG2 3.75Å; F405-I448 HydrophobicContact CB-CD1 4.27Å; F405-I448 HydrophobicContact CB-CG2 4.19Å; F405-I448 HydrophobicContact CD2-CB 3.84Å; F405-I448 HydrophobicContact CD2-CD1 4.01Å; F405-I448 HydrophobicContact CD2-CG2 3.36Å; F405-I448 HydrophobicContact CE2-CB 4.2Å; F405-I448 HydrophobicContact CE2-CG2 3.83Å; F405-I448 HydrophobicContact CG-CG2 3.82Å; V444-I448 HydrophobicContact CG1-CD1 4.19Å; V444-I448 WeakPolarHBondContact O-CG1 3.37Å; V444-I448 PolarHBondContact O-N 2.87Å; V444-I448 VanDerWaalsContact O-N 3.17Å; C445-I448 PolarHBondContact O-N 2.71Å; D446-I448 PolarHBondContact O-N 3.47Å; I448-I457 HydrophobicContact CG1-CD1 4.38Å; I448-I457 PolarHBondContact O-N 2.88Å; I448-M458 HydrophobicContact CG2-CE 3.81Å; I448-M458 HydrophobicContact CG2-CG 4.01Å; I448-M458 HydrophobicContact CG2-SD 4.08Å; I448-M458 WeakPolarHBondContact O-CB 3.26Å; I448-M458 WeakPolarHBondContact O-CG 3.41Å; I448-M458 PolarHBondContact O-N 3.18Å; I448-I502 HydrophobicContact CD1-CD1 4.2Å; I448-I502 HydrophobicContact CG1-CD1 4.08Å
449E91.9Very high87.6Confident19 Ų1947.7 Ų47.79%0.08926%0.256CS..Hα-helixtrans-109.3-11.3-16389.8167.7151.300116.7F405 K409 C445 D446 K451 K564 N568F405-E449 HydrophobicContact CE2-CB 3.87Å; F405-E449 HydrophobicContact CZ-CB 3.87Å; K409-E449 WeakPolarHBondContact CE-OE1 3.38Å; K409-E449 VanDerWaalsContact NZ-CD 3.31Å; K409-E449 IonicContact NZ-OE1 2.86Å; K409-E449 PolarHBondContact NZ-OE1 3.06Å; K409-E449 IonicContact NZ-OE2 3.66Å; K409-E449 PolarHBondContact NZ-OE2 3.43Å; C445-E449 WeakPolarHBondContact O-CB 3.49Å; C445-E449 WeakPolarHBondContact O-CG 3.4Å; C445-E449 PolarHBondContact O-N 3.29Å; D446-E449 PolarHBondContact O-N 2.83Å; E449-K451 PolarHBondContact O-N 3.14Å; E449-K564 HydrophobicContact CB-CD 4.19Å; E449-K564 VanDerWaalsContact CB-NZ 3.34Å; E449-K564 PolarHBondContact O-NZ 3.34Å; E449-K564 VanDerWaalsContact OE2-CE 3.3Å; E449-K564 WeakPolarHBondContact OE2-CE 3.42Å; E449-K564 IonicContact OE2-NZ 2.7Å; E449-K564 PolarHBondContact OE2-NZ 3.02Å; E449-N568 PolarHBondContact OE2-ND2 3.32Å
450N88.6Confident88.3Confident42 Ų4244.1 Ų44.123%0.22524%0.242CC..  trans-59137.6-168-17322.3000112.4D446 L452 P454 G456 S459D446-N450 WeakPolarHBondContact O-CB 3.04Å; D446-N450 PolarHBondContact O-N 3.25Å; N450-L452 PolarHBondContact ND2-O 3.32Å; N450-L452 VanDerWaalsContact ND2-O 3.07Å; N450-L452 PolarHBondContact OD1-N 3.13Å; N450-P454 PolarHBondContact ND2-O 3.33Å; N450-G456 PolarHBondContact O-N 3.36Å; N450-S459 PolarHBondContact O-OG 3.49Å
451K82.3Confident88.7Confident149 Ų14941 Ų4165%0.64823%0.225SC*.  trans-102.5-15.7177.1-70-167.1170.6-166.20113.6E449E449-K451 PolarHBondContact O-N 3.14Å
452L78.8Confident88.7Confident133 Ų13342.2 Ų42.270%0.69623%0.231SC*.SBendtrans-93.7175.7177.5-59.3177.8000109.6N450 P454 P455N450-L452 PolarHBondContact ND2-O 3.32Å; N450-L452 VanDerWaalsContact ND2-O 3.07Å; N450-L452 PolarHBondContact OD1-N 3.13Å; L452-P454 CarbonylContact O-C 3.57Å; L452-P455 VanDerWaalsContact O-CA 3.31Å; L452-P455 WeakPolarHBondContact O-CA 3.39Å
453S74.4Confident88.6Confident115 Ų11541.4 Ų41.480%0.80423%0.231SC*.SBendtrans-74.5135173.9-167.70000111
454P79.6Confident88.4Confident85 Ų8538.3 Ų38.355%0.55222%0.215SC*.SBendcis-74.1137.2-8.831.3-34000111.7N450 L452N450-P454 PolarHBondContact ND2-O 3.33Å; L452-P454 CarbonylContact O-C 3.57Å
455P88Confident87.9Confident47 Ų4738.5 Ų38.531%0.30522%0.217SC..PPolyproline II helixtrans-70.9136.3-174.229.5-34.7000111.7L452 V460 A486 V487L452-P455 VanDerWaalsContact O-CA 3.31Å; L452-P455 WeakPolarHBondContact O-CA 3.39Å; P455-V460 HydrophobicContact CB-CG2 4.31Å; P455-V460 HydrophobicContact CG-CG2 4.15Å; P455-A486 HydrophobicContact CG-CB 4.26Å; P455-V487 WeakPolarHBondContact O-CG1 3.36Å
456G91.8Very high87.2Confident1 Ų140 Ų401%0.0123%0.229CC..PPolyproline II helixtrans-75.1164.7178.100000113.4L447 N450 M458 S459 V460L447-G456 CarbonylContact O-C 3.59Å; L447-G456 WeakPolarHBondContact O-CA 3.44Å; N450-G456 PolarHBondContact O-N 3.36Å; G456-M458 VanDerWaalsContact C-N 3.3Å; G456-M458 PolarHBondContact O-N 2.75Å; G456-S459 WeakPolarHBondContact O-CB 3.45Å; G456-S459 PolarHBondContact O-N 2.74Å; G456-V460 PolarHBondContact O-N 3.12Å; G456-V460 VanDerWaalsContact O-N 3.16Å
457I94Very high86.4Confident1 Ų141.5 Ų41.51%0.00524%0.241CC..Hα-helixtrans-50.6-45-172.9-61.3171.6000112.3F401 L447 I448 S459 V460 L461 L483 V487 F493 F500 I502F401-I457 HydrophobicContact CE2-CB 4.42Å; F401-I457 HydrophobicContact CE2-CD1 4.31Å; F401-I457 HydrophobicContact CE2-CG2 3.89Å; F401-I457 HydrophobicContact CZ-CB 4.12Å; F401-I457 HydrophobicContact CZ-CG2 3.59Å; L447-I457 HydrophobicContact CD1-CD1 4.33Å; L447-I457 HydrophobicContact CD1-CG1 4.42Å; L447-I457 HydrophobicContact CG-CD1 4.1Å; L447-I457 PolarHBondContact O-N 3.17Å; I448-I457 HydrophobicContact CG1-CD1 4.38Å; I448-I457 PolarHBondContact O-N 2.88Å; I457-S459 VanDerWaalsContact C-N 3.33Å; I457-S459 PolarHBondContact O-N 2.8Å; I457-V460 PolarHBondContact O-N 2.98Å; I457-L461 VanDerWaalsContact O-CB 3.26Å; I457-L461 WeakPolarHBondContact O-CB 3.24Å; I457-L461 PolarHBondContact O-N 2.78Å; I457-L483 HydrophobicContact CB-CD2 4.12Å; I457-L483 HydrophobicContact CG1-CD2 4.1Å; I457-L483 HydrophobicContact CG2-CD1 4.38Å; I457-L483 HydrophobicContact CG2-CD2 3.86Å; I457-V487 HydrophobicContact CG1-CG2 4.34Å; I457-F493 HydrophobicContact CD1-CD2 4.05Å; I457-F493 HydrophobicContact CD1-CE2 4.26Å; I457-F500 HydrophobicContact CD1-CE2 4.49Å; I457-F500 HydrophobicContact CG2-CZ 4.46Å; I457-I502 HydrophobicContact CD1-CD1 3.61Å; I457-I502 HydrophobicContact CD1-CG1 4.27Å
458M92.2Very high85.2Confident4 Ų443.8 Ų43.82%0.0225%0.252CS..Hα-helixtrans-64-34.2178.8-69.7-175169.700113.3F401 F405 I448 G456 D462 K564F401-M458 HydrophobicContact CE1-CE 3.84Å; F401-M458 HydrophobicContact CE1-CG 4.07Å; F401-M458 HydrophobicContact CZ-CE 4.29Å; F401-M458 HydrophobicContact CZ-CG 4.12Å; F405-M458 HydrophobicContact CB-CE 4.37Å; F405-M458 HydrophobicContact CD1-CE 3.58Å; F405-M458 HydrophobicContact CD1-SD 4.5Å; F405-M458 HydrophobicContact CE1-CE 3.95Å; F405-M458 HydrophobicContact CE1-SD 4.29Å; F405-M458 HydrophobicContact CG-CE 3.94Å; I448-M458 HydrophobicContact CG2-CE 3.81Å; I448-M458 HydrophobicContact CG2-CG 4.01Å; I448-M458 HydrophobicContact CG2-SD 4.08Å; I448-M458 WeakPolarHBondContact O-CB 3.26Å; I448-M458 WeakPolarHBondContact O-CG 3.41Å; I448-M458 PolarHBondContact O-N 3.18Å; G456-M458 VanDerWaalsContact C-N 3.3Å; G456-M458 PolarHBondContact O-N 2.75Å; M458-D462 WeakPolarHBondContact O-CB 3.49Å; M458-D462 PolarHBondContact O-N 2.87Å; M458-K564 HydrophobicContact SD-CB 4.37Å
459S90.6Very high83.3Confident26 Ų2651.1 Ų51.118%0.18229%0.286CS..Hα-helixtrans-72.8-41.5179.3-560000111.1N450 G456 I457 L461 D462 D463N450-S459 PolarHBondContact O-OG 3.49Å; G456-S459 WeakPolarHBondContact O-CB 3.45Å; G456-S459 PolarHBondContact O-N 2.74Å; I457-S459 VanDerWaalsContact C-N 3.33Å; I457-S459 PolarHBondContact O-N 2.8Å; S459-L461 VanDerWaalsContact C-N 3.33Å; S459-D462 PolarHBondContact O-N 3.4Å; S459-D463 PolarHBondContact O-N 2.93Å; S459-D463 VanDerWaalsContact O-N 3.11Å
460V91.1Very high81.1Confident12 Ų1254.8 Ų54.87%0.07332%0.32CS..Hα-helixtrans-63-42.1173.6-178.40000110.7P455 G456 I457 D463 V464 L479 K482 L483 A486P455-V460 HydrophobicContact CB-CG2 4.31Å; P455-V460 HydrophobicContact CG-CG2 4.15Å; G456-V460 PolarHBondContact O-N 3.12Å; G456-V460 VanDerWaalsContact O-N 3.16Å; I457-V460 PolarHBondContact O-N 2.98Å; V460-D463 PolarHBondContact O-N 3.25Å; V460-V464 VanDerWaalsContact O-CG2 3.32Å; V460-V464 WeakPolarHBondContact O-CG2 3.32Å; V460-V464 PolarHBondContact O-N 3.35Å; V460-L479 HydrophobicContact CG1-CD1 4.21Å; V460-K482 HydrophobicContact CG1-CB 3.64Å; V460-L483 HydrophobicContact CB-CD2 3.85Å; V460-L483 HydrophobicContact CG1-CD2 3.92Å; V460-L483 HydrophobicContact CG1-CG 4.27Å; V460-L483 HydrophobicContact CG2-CD2 4.3Å; V460-A486 HydrophobicContact CG2-CB 3.89Å
461L89.9Confident79.1Confident0 Ų060.7 Ų60.70%034%0.343CS..Hα-helixtrans-60.1-48.7175.9174.362.9000112.2F398 I457 S459 D463 V464 C465 L479 F516 N520F398-L461 HydrophobicContact CD2-CD2 4.09Å; F398-L461 HydrophobicContact CE2-CD2 3.64Å; I457-L461 VanDerWaalsContact O-CB 3.26Å; I457-L461 WeakPolarHBondContact O-CB 3.24Å; I457-L461 PolarHBondContact O-N 2.78Å; S459-L461 VanDerWaalsContact C-N 3.33Å; L461-D463 PolarHBondContact O-N 2.96Å; L461-V464 PolarHBondContact O-N 2.87Å; L461-C465 WeakPolarHBondContact O-CB 3.32Å; L461-C465 PolarHBondContact O-N 2.78Å; L461-C465 PolarHBondContact O-SG 2.91Å; L461-L479 HydrophobicContact CB-CD1 4.12Å; L461-L479 HydrophobicContact CD1-CD1 4.21Å; L461-L479 HydrophobicContact CD1-CD2 3.53Å; L461-F516 HydrophobicContact CD1-CB 4.4Å; L461-F516 HydrophobicContact CD1-CD1 4.35Å; L461-F516 HydrophobicContact CD2-CD1 4.18Å; L461-N520 HydrophobicContact CD1-CB 3.98Å; L461-N520 HydrophobicContact CD2-CB 3.87Å; L461-N520 HydrophobicContact CG-CB 3.93Å
462D86.8Confident77.6Confident27 Ų2756 Ų5614%0.14434%0.338CS..Hα-helixtrans-61.2-42.6177.7-81.53.4000112.1M458 S459 C465 A466 N520 T558 S560 S561M458-D462 WeakPolarHBondContact O-CB 3.49Å; M458-D462 PolarHBondContact O-N 2.87Å; S459-D462 PolarHBondContact O-N 3.4Å; D462-C465 PolarHBondContact O-N 2.85Å; D462-A466 WeakPolarHBondContact O-CB 3.22Å; D462-A466 PolarHBondContact O-N 2.96Å; D462-N520 PolarHBondContact OD1-ND2 3.03Å; D462-T558 VanDerWaalsContact OD1-CB 3.22Å; D462-T558 WeakPolarHBondContact OD1-CB 3.39Å; D462-T558 WeakPolarHBondContact OD1-CG2 3.26Å; D462-T558 PolarHBondContact OD1-OG1 3.15Å; D462-T558 PolarHBondContact OD2-OG1 3Å; D462-S560 VanDerWaalsContact CG-OG 3.24Å; D462-S560 PolarHBondContact OD1-OG 3.24Å; D462-S560 PolarHBondContact OD2-OG 3.42Å; D462-S561 PolarHBondContact OD2-OG 2.94Å
463D86.6Confident76.4Confident77 Ų7759.4 Ų59.441%0.41235%0.35SS..Hα-helixtrans-71.8-29.7178.1-85.6-27.4000113.4S459 V460 L461 T467 R555S459-D463 PolarHBondContact O-N 2.93Å; S459-D463 VanDerWaalsContact O-N 3.11Å; V460-D463 PolarHBondContact O-N 3.25Å; L461-D463 PolarHBondContact O-N 2.96Å; D463-T467 WeakPolarHBondContact O-CB 3.36Å; D463-T467 WeakPolarHBondContact O-CG2 3.48Å; D463-T467 PolarHBondContact O-N 2.94Å; D463-T467 VanDerWaalsContact O-N 3.13Å; D463-T467 PolarHBondContact O-OG1 3.19Å; D463-R555 IonicContact OD1-CZ 3.59Å; D463-R555 IonicContact OD1-NH1 3Å; D463-R555 PolarHBondContact OD1-NH1 2.73Å; D463-R555 IonicContact OD1-NH2 3.45Å
464V87.3Confident76.2Confident0 Ų055.4 Ų55.40%033%0.326CS..Hα-helixtrans-68.8-44.9169.7176.10000110.5V460 L461 A466 T467 M468 L479 K482V460-V464 VanDerWaalsContact O-CG2 3.32Å; V460-V464 WeakPolarHBondContact O-CG2 3.32Å; V460-V464 PolarHBondContact O-N 3.35Å; L461-V464 PolarHBondContact O-N 2.87Å; V464-A466 PolarHBondContact O-N 3.44Å; V464-T467 PolarHBondContact O-N 3.34Å; V464-T467 VanDerWaalsContact O-N 3.14Å; V464-T467 PolarHBondContact O-OG1 3.43Å; V464-M468 HydrophobicContact CG1-CG 4.24Å; V464-M468 PolarHBondContact O-N 2.96Å; V464-L479 HydrophobicContact CB-CD1 4.43Å; V464-L479 HydrophobicContact CG1-CB 4.21Å; V464-L479 HydrophobicContact CG2-CB 4.44Å; V464-L479 HydrophobicContact CG2-CD1 4.16Å; V464-K482 HydrophobicContact CG2-CD 3.69Å; V464-K482 HydrophobicContact CG2-CG 4.48Å
465C81Confident76.2Confident5 Ų551.4 Ų51.43%0.03430%0.301CS..Hα-helixtrans-57-38.3177.7-690000112.3L461 D462 C517 N520 R521L461-C465 WeakPolarHBondContact O-CB 3.32Å; L461-C465 PolarHBondContact O-N 2.78Å; L461-C465 PolarHBondContact O-SG 2.91Å; D462-C465 PolarHBondContact O-N 2.85Å; C465-C517 PolarHBondContact SG-O 2.9Å; C465-N520 PolarHBondContact SG-ND2 3.18Å; C465-R521 HydrophobicContact CB-CG 4.07Å; C465-R521 PolarHBondContact O-NE 3.21Å; C465-R521 PolarHBondContact O-NH2 2.76Å
466A76.8Confident76.1Confident35 Ų3550.2 Ų50.229%0.28929%0.292SS..THydrogen-bonded Turntrans-87.7-4.6-179.900000115.5D462 V464 H469D462-A466 WeakPolarHBondContact O-CB 3.22Å; D462-A466 PolarHBondContact O-N 2.96Å; V464-A466 PolarHBondContact O-N 3.44Å; A466-H469 PolarHBondContact O-NE2 2.95Å
467T76.3Confident75.9Confident85 Ų8551.9 Ų51.952%0.52131%0.309SS..THydrogen-bonded Turntrans-106.7-37.9173.844.90000112.7D463 V464 H469D463-T467 WeakPolarHBondContact O-CB 3.36Å; D463-T467 WeakPolarHBondContact O-CG2 3.48Å; D463-T467 PolarHBondContact O-N 2.94Å; D463-T467 VanDerWaalsContact O-N 3.13Å; D463-T467 PolarHBondContact O-OG1 3.19Å; V464-T467 PolarHBondContact O-N 3.34Å; V464-T467 VanDerWaalsContact O-N 3.14Å; V464-T467 PolarHBondContact O-OG1 3.43Å; T467-H469 PolarHBondContact O-N 3.48Å; T467-H469 VanDerWaalsContact O-N 3.15Å
468M68.1Low75.6Confident57 Ų5753.4 Ų53.428%0.28132%0.318SS..  trans-91.857.8-172.7-66.3-63.8-73.600113.2V464 A470 A475 R521V464-M468 HydrophobicContact CG1-CG 4.24Å; V464-M468 PolarHBondContact O-N 2.96Å; M468-A470 VanDerWaalsContact C-N 3.31Å; M468-A470 PolarHBondContact O-N 2.99Å; M468-A475 HydrophobicContact CB-CB 4.3Å; M468-R521 PolarHBondContact O-NH2 2.82Å
469H53.7Low75.5Confident153 Ų15353.3 Ų53.371%0.70832%0.318SS*.THydrogen-bonded Turntrans-67.5-18.1-172.4-81.4-69.9000116.3A466 T467A466-H469 PolarHBondContact O-NE2 2.95Å; T467-H469 PolarHBondContact O-N 3.48Å; T467-H469 VanDerWaalsContact O-N 3.15Å
470A45.6Very low75.6Confident97 Ų9753.3 Ų53.380%0.80232%0.316SS*.THydrogen-bonded Turntrans-126.92.3-159.800000117.4M468M468-A470 VanDerWaalsContact C-N 3.31Å; M468-A470 PolarHBondContact O-N 2.99Å
471K46.7Very low75.5Confident165 Ų16559.7 Ų59.772%0.71735%0.345SS*.  trans-143.9119.6175.2-66.7-167175.9-167.30110.7
472G49.4Very low75.5Confident52 Ų5263.6 Ų63.654%0.53636%0.362SS..SBendtrans-68-61.1-177.700000112.6G474 A475G472-G474 PolarHBondContact O-N 2.7Å; G472-A475 WeakPolarHBondContact O-CB 3.22Å; G472-A475 PolarHBondContact O-N 3.06Å
473E54.7Low75.8Confident204 Ų20462.3 Ų62.395%0.95336%0.355SS*.THydrogen-bonded Turntrans-52.9-27.8-172.9-56.1174.7124.800114.9
474G70.4Confident75.9Confident30 Ų3062.6 Ų62.631%0.30935%0.353SS..THydrogen-bonded Turntrans-91-13.2-178.600000115.6G472 T478G472-G474 PolarHBondContact O-N 2.7Å; G474-T478 WeakPolarHBondContact O-CB 3.32Å; G474-T478 PolarHBondContact O-N 3.44Å; G474-T478 PolarHBondContact O-OG1 3.11Å
475A79.8Confident76.1Confident2 Ų267 Ų672%0.01739%0.39CS..Hα-helixtrans-70.4-50.2-169.300000112.6M468 G472 T478 L479 C517M468-A475 HydrophobicContact CB-CB 4.3Å; G472-A475 WeakPolarHBondContact O-CB 3.22Å; G472-A475 PolarHBondContact O-N 3.06Å; A475-T478 WeakPolarHBondContact O-CB 3.35Å; A475-T478 PolarHBondContact O-N 3.33Å; A475-L479 PolarHBondContact O-N 3.36Å; A475-C517 HydrophobicContact CB-CB 4.06Å
476D86.2Confident76.4Confident22 Ų2268.2 Ų68.212%0.11840%0.4CS..Hα-helixtrans-70.7-33.7-178.6-69.2-41.6000112.4L479 L480 I513 G515 F516 C517D476-L479 WeakPolarHBondContact O-CB 3.43Å; D476-L479 PolarHBondContact O-N 2.79Å; D476-L480 PolarHBondContact O-N 2.96Å; D476-I513 HydrophobicContact CB-CG1 4Å; D476-I513 HydrophobicContact CB-CG2 4.23Å; D476-I513 WeakPolarHBondContact CB-O 3.49Å; D476-I513 WeakPolarHBondContact O-CG1 3.46Å; D476-G515 VanDerWaalsContact OD2-CA 3.3Å; D476-G515 WeakPolarHBondContact OD2-CA 3.35Å; D476-G515 PolarHBondContact OD2-N 2.98Å; D476-F516 PolarHBondContact OD1-N 2.78Å; D476-C517 WeakPolarHBondContact OD1-CB 3.47Å; D476-C517 PolarHBondContact OD1-N 3.23Å
477G87Confident77Confident35 Ų3567 Ų6736%0.36139%0.389SS..Hα-helixtrans-63.7-40.8169.500000112.7L479 L480 Q481G477-L479 VanDerWaalsContact C-N 3.33Å; G477-L480 PolarHBondContact O-N 2.84Å; G477-Q481 WeakPolarHBondContact O-CG 3.38Å; G477-Q481 PolarHBondContact O-N 3.34Å; G477-Q481 VanDerWaalsContact O-N 3.13Å
478T88.1Confident77.5Confident34 Ų3463.9 Ų63.921%0.20937%0.374CS..Hα-helixtrans-64.9-37.9173.6-58.10000111.4G474 A475 Q481 K482G474-T478 WeakPolarHBondContact O-CB 3.32Å; G474-T478 PolarHBondContact O-N 3.44Å; G474-T478 PolarHBondContact O-OG1 3.11Å; A475-T478 WeakPolarHBondContact O-CB 3.35Å; A475-T478 PolarHBondContact O-N 3.33Å; T478-Q481 PolarHBondContact O-N 2.76Å; T478-K482 WeakPolarHBondContact O-CG 3.42Å; T478-K482 PolarHBondContact O-N 3.45Å
479L90.4Very high78.4Confident1 Ų168.2 Ų68.21%0.00540%0.404CS..Hα-helixtrans-60.3-51174.4174.662.7000111.3V460 L461 V464 A475 D476 G477 Q481 K482 L483 I513 F516V460-L479 HydrophobicContact CG1-CD1 4.21Å; L461-L479 HydrophobicContact CB-CD1 4.12Å; L461-L479 HydrophobicContact CD1-CD1 4.21Å; L461-L479 HydrophobicContact CD1-CD2 3.53Å; V464-L479 HydrophobicContact CB-CD1 4.43Å; V464-L479 HydrophobicContact CG1-CB 4.21Å; V464-L479 HydrophobicContact CG2-CB 4.44Å; V464-L479 HydrophobicContact CG2-CD1 4.16Å; A475-L479 PolarHBondContact O-N 3.36Å; D476-L479 WeakPolarHBondContact O-CB 3.43Å; D476-L479 PolarHBondContact O-N 2.79Å; G477-L479 VanDerWaalsContact C-N 3.33Å; L479-Q481 VanDerWaalsContact C-N 3.32Å; L479-Q481 PolarHBondContact O-N 3Å; L479-K482 PolarHBondContact O-N 3.22Å; L479-L483 HydrophobicContact CD1-CD1 3.96Å; L479-L483 HydrophobicContact CD1-CD2 4.42Å; L479-L483 HydrophobicContact CD1-CG 3.95Å; L479-L483 HydrophobicContact CG-CD1 3.9Å; L479-L483 HydrophobicContact CG-CG 4.3Å; L479-L483 WeakPolarHBondContact O-CB 3.47Å; L479-L483 VanDerWaalsContact O-CG 3.31Å; L479-L483 WeakPolarHBondContact O-CG 3.44Å; L479-L483 PolarHBondContact O-N 3.15Å; L479-I513 HydrophobicContact CD2-CD1 3.65Å; L479-I513 HydrophobicContact CD2-CG1 4.27Å; L479-I513 HydrophobicContact CG-CD1 4.04Å; L479-F516 HydrophobicContact CD2-CB 3.8Å; L479-F516 HydrophobicContact CD2-CD1 4.41Å; L479-F516 HydrophobicContact CD2-CG 4.44Å
480L90.9Very high80.3Confident27 Ų2763.9 Ų63.914%0.14138%0.384CS..Hα-helixtrans-57.2-44.2178.6178.955.7000112.2D476 G477 L483 Q484 W496 G499 I513D476-L480 PolarHBondContact O-N 2.96Å; G477-L480 PolarHBondContact O-N 2.84Å; L480-L483 PolarHBondContact O-N 2.92Å; L480-Q484 PolarHBondContact O-N 3.36Å; L480-W496 WeakPolarHBondContact CD2-O 3.28Å; L480-G499 WeakPolarHBondContact CD1-O 3.27Å; L480-I513 HydrophobicContact CB-CG1 4.39Å
481Q89.6Confident82.5Confident146 Ų14666.8 Ų66.868%0.68238%0.381SS*.Hα-helixtrans-61.6-45.8175.4-70.6176.66.400112.4G477 T478 L479 Q484 A485G477-Q481 WeakPolarHBondContact O-CG 3.38Å; G477-Q481 PolarHBondContact O-N 3.34Å; G477-Q481 VanDerWaalsContact O-N 3.13Å; T478-Q481 PolarHBondContact O-N 2.76Å; L479-Q481 VanDerWaalsContact C-N 3.32Å; L479-Q481 PolarHBondContact O-N 3Å; Q481-Q484 PolarHBondContact O-N 3.39Å; Q481-A485 PolarHBondContact O-N 2.9Å
482K91.2Very high84.6Confident82 Ų8259.9 Ų59.936%0.35735%0.351SS..Hα-helixtrans-68.4-34.4177.8-70.5-165.8-164172.10112.8V460 V464 T478 L479 A485 A486V460-K482 HydrophobicContact CG1-CB 3.64Å; V464-K482 HydrophobicContact CG2-CD 3.69Å; V464-K482 HydrophobicContact CG2-CG 4.48Å; T478-K482 WeakPolarHBondContact O-CG 3.42Å; T478-K482 PolarHBondContact O-N 3.45Å; L479-K482 PolarHBondContact O-N 3.22Å; K482-A485 PolarHBondContact O-N 3.42Å; K482-A486 VanDerWaalsContact O-CB 3.23Å; K482-A486 WeakPolarHBondContact O-CB 3.49Å; K482-A486 PolarHBondContact O-N 3.04Å
483L91.9Very high86.8Confident0 Ų057.7 Ų57.70%033%0.327CS..Hα-helixtrans-63.7-45.3173.8-71.4174.3000110.8I457 V460 L479 L480 A485 A486 V487 G488 F493 F500 I513I457-L483 HydrophobicContact CB-CD2 4.12Å; I457-L483 HydrophobicContact CG1-CD2 4.1Å; I457-L483 HydrophobicContact CG2-CD1 4.38Å; I457-L483 HydrophobicContact CG2-CD2 3.86Å; V460-L483 HydrophobicContact CB-CD2 3.85Å; V460-L483 HydrophobicContact CG1-CD2 3.92Å; V460-L483 HydrophobicContact CG1-CG 4.27Å; V460-L483 HydrophobicContact CG2-CD2 4.3Å; L479-L483 HydrophobicContact CD1-CD1 3.96Å; L479-L483 HydrophobicContact CD1-CD2 4.42Å; L479-L483 HydrophobicContact CD1-CG 3.95Å; L479-L483 HydrophobicContact CG-CD1 3.9Å; L479-L483 HydrophobicContact CG-CG 4.3Å; L479-L483 WeakPolarHBondContact O-CB 3.47Å; L479-L483 VanDerWaalsContact O-CG 3.31Å; L479-L483 WeakPolarHBondContact O-CG 3.44Å; L479-L483 PolarHBondContact O-N 3.15Å; L480-L483 PolarHBondContact O-N 2.92Å; L483-A485 VanDerWaalsContact C-N 3.28Å; L483-A485 PolarHBondContact O-N 3.38Å; L483-A486 PolarHBondContact O-N 3.39Å; L483-V487 HydrophobicContact CD2-CG2 4.49Å; L483-V487 VanDerWaalsContact O-CG2 3.23Å; L483-V487 WeakPolarHBondContact O-CG2 3.23Å; L483-V487 PolarHBondContact O-N 2.85Å; L483-G488 PolarHBondContact O-N 3.2Å; L483-F493 HydrophobicContact CB-CZ 3.97Å; L483-F500 HydrophobicContact CD1-CD1 4.01Å; L483-F500 HydrophobicContact CD1-CE1 4.1Å; L483-I513 HydrophobicContact CD1-CD1 4.5Å
484Q89.9Confident88.6Confident82 Ų8251.9 Ų51.938%0.38330%0.303SS..Hα-helixtrans-63.9-34.1176.1-17456.31800112.4L480 Q481 G488 S495L480-Q484 PolarHBondContact O-N 3.36Å; Q481-Q484 PolarHBondContact O-N 3.39Å; Q484-G488 VanDerWaalsContact O-CA 3.28Å; Q484-G488 WeakPolarHBondContact O-CA 3.23Å; Q484-G488 PolarHBondContact O-N 2.7Å; Q484-G488 VanDerWaalsContact OE1-CA 3.28Å; Q484-S495 PolarHBondContact OE1-OG 3.37Å; Q484-S495 VanDerWaalsContact OE1-OG 3.1Å
485A89.6Confident89.5Confident92 Ų9253 Ų5376%0.7631%0.306SS*.Hα-helixtrans-72.7-31.1174.100000114.1Q481 K482 L483Q481-A485 PolarHBondContact O-N 2.9Å; K482-A485 PolarHBondContact O-N 3.42Å; L483-A485 VanDerWaalsContact C-N 3.28Å; L483-A485 PolarHBondContact O-N 3.38Å
486A87.9Confident89.8Confident31 Ų3159 Ų5926%0.25633%0.328SS..Hα-helixtrans-93.2-37.6-174.400000114.4P455 V460 K482 L483P455-A486 HydrophobicContact CG-CB 4.26Å; V460-A486 HydrophobicContact CG2-CB 3.89Å; K482-A486 VanDerWaalsContact O-CB 3.23Å; K482-A486 WeakPolarHBondContact O-CB 3.49Å; K482-A486 PolarHBondContact O-N 3.04Å; L483-A486 PolarHBondContact O-N 3.39Å
487V89.4Confident89.6Confident9 Ų966 Ų666%0.05537%0.365CS..Hα-helixtrans-133.14.3-173.5-61.40000113.9L447 P455 I457 L483 T489 H490 F493L447-V487 HydrophobicContact CD1-CB 3.8Å; L447-V487 HydrophobicContact CD1-CG1 3.92Å; L447-V487 HydrophobicContact CD1-CG2 4.19Å; P455-V487 WeakPolarHBondContact O-CG1 3.36Å; I457-V487 HydrophobicContact CG1-CG2 4.34Å; L483-V487 HydrophobicContact CD2-CG2 4.49Å; L483-V487 VanDerWaalsContact O-CG2 3.23Å; L483-V487 WeakPolarHBondContact O-CG2 3.23Å; L483-V487 PolarHBondContact O-N 2.85Å; V487-T489 PolarHBondContact O-N 3.38Å; V487-H490 VanDerWaalsContact O-CB 3.28Å; V487-H490 WeakPolarHBondContact O-CB 3.07Å; V487-H490 PolarHBondContact O-N 2.88Å; V487-F493 HydrophobicContact CG2-CD1 4.07Å; V487-F493 HydrophobicContact CG2-CD2 3.91Å; V487-F493 HydrophobicContact CG2-CE1 4.13Å; V487-F493 HydrophobicContact CG2-CE2 3.96Å; V487-F493 HydrophobicContact CG2-CG 3.96Å; V487-F493 HydrophobicContact CG2-CZ 4.08Å
488G86Confident89.5Confident20 Ų2066.8 Ų66.821%0.20637%0.365CS..THydrogen-bonded Turntrans-64.1-5.2-176.400000116.9L483 Q484L483-G488 PolarHBondContact O-N 3.2Å; Q484-G488 VanDerWaalsContact O-CA 3.28Å; Q484-G488 WeakPolarHBondContact O-CA 3.23Å; Q484-G488 PolarHBondContact O-N 2.7Å; Q484-G488 VanDerWaalsContact OE1-CA 3.28Å
489T88.9Confident89.7Confident148 Ų14865.2 Ų65.291%0.90836%0.356SS*.THydrogen-bonded Turntrans-104.8-0.4174.153.10000113.5V487V487-T489 PolarHBondContact O-N 3.38Å
490H91.6Very high89.9Confident63 Ų6365.2 Ų65.229%0.29236%0.356SS..  trans-83.4127.5-176.3-171.3-88.9000111.4L447 V487 H492 F493L447-H490 HydrophobicContact CD1-CB 4.21Å; V487-H490 VanDerWaalsContact O-CB 3.28Å; V487-H490 WeakPolarHBondContact O-CB 3.07Å; V487-H490 PolarHBondContact O-N 2.88Å; H490-H492 PolarHBondContact ND1-N 2.98Å; H490-H492 PolarHBondContact O-N 2.85Å; H490-F493 HydrophobicContact CB-CB 4.37Å; H490-F493 PolarHBondContact O-N 3.21Å
491E92Very high90Very high158 Ų15864.9 Ų64.974%0.73836%0.355SS*.THydrogen-bonded Turntrans-51.6-32.1-174.2-176.7178.5178.300114.6H503E491-H503 PolarHBondContact O-CE1 2.85Å; E491-H503 PolarHBondContact O-ND1 3.34Å
492H91.9Very high90.3Very high20 Ų2058 Ų589%0.09332%0.322CS..THydrogen-bonded Turntrans-88.37.2179-68.8-98.5000115.1F439 I443 V444 L447 H490 I502 H503F439-H492 AromaticContact CE2-CE1 3.44Å; F439-H492 VanDerWaalsContact CE2-CE1 3.44Å; F439-H492 WeakPolarHBondContact CE2-CE1 3.37Å; F439-H492 AromaticContact CE2-NE2 3.7Å; F439-H492 AromaticContact CZ-CE1 3.31Å; F439-H492 WeakPolarHBondContact CZ-CE1 3.42Å; F439-H492 AromaticContact CZ-NE2 3.84Å; I443-H492 WeakPolarHBondContact CD1-NE2 3.43Å; V444-H492 HydrophobicContact CG2-CB 4.32Å; L447-H492 HydrophobicContact CD2-CB 3.97Å; H490-H492 PolarHBondContact ND1-N 2.98Å; H490-H492 PolarHBondContact O-N 2.85Å; H492-I502 WeakPolarHBondContact O-CA 3.36Å; H492-H503 HydrophobicContact CB-CB 4.12Å; H492-H503 PolarHBondContact ND1-O 3.03Å; H492-H503 PolarHBondContact O-N 3.14Å
493F94.8Very high90.3Very high5 Ų555.8 Ų55.82%0.02231%0.313CS..EExtended strand (participates in β ladder)trans-128.4138.3-178.9-179-89.4000111.5L447 I457 L483 V487 H490 F500 V501L447-F493 HydrophobicContact CD1-CB 4.24Å; L447-F493 HydrophobicContact CD2-CB 4.2Å; I457-F493 HydrophobicContact CD1-CD2 4.05Å; I457-F493 HydrophobicContact CD1-CE2 4.26Å; L483-F493 HydrophobicContact CB-CZ 3.97Å; V487-F493 HydrophobicContact CG2-CD1 4.07Å; V487-F493 HydrophobicContact CG2-CD2 3.91Å; V487-F493 HydrophobicContact CG2-CE1 4.13Å; V487-F493 HydrophobicContact CG2-CE2 3.96Å; V487-F493 HydrophobicContact CG2-CG 3.96Å; V487-F493 HydrophobicContact CG2-CZ 4.08Å; H490-F493 HydrophobicContact CB-CB 4.37Å; H490-F493 PolarHBondContact O-N 3.21Å; F493-F500 HydrophobicContact CD2-CB 4.44Å; F493-F500 HydrophobicContact CD2-CD2 4.45Å; F493-F500 HydrophobicContact CE2-CB 3.54Å; F493-F500 AromaticContact CE2-CD2 3.9Å; F493-F500 HydrophobicContact CE2-CD2 3.9Å; F493-F500 AromaticContact CE2-CG 3.79Å; F493-F500 HydrophobicContact CE2-CG 3.79Å; F493-F500 HydrophobicContact CZ-CB 3.67Å; F493-F500 HydrophobicContact CZ-CG 4.31Å; F493-V501 WeakPolarHBondContact CA-O 3.31Å
494N93Very high90.2Very high83 Ų8356.3 Ų56.344%0.44432%0.316SS..EExtended strand (participates in β ladder)trans-140.5141167.9-70.7-97.5000109.9F500 V501 H503N494-F500 CarbonylContact O-C 3.6Å; N494-F500 VanDerWaalsContact O-CA 3.3Å; N494-F500 WeakPolarHBondContact O-CA 3.45Å; N494-V501 HydrophobicContact CB-CB 4.38Å; N494-V501 PolarHBondContact N-O 3.43Å; N494-V501 PolarHBondContact O-N 3.08Å; N494-H503 PolarHBondContact ND2-CE1 3.21Å; N494-H503 PolarHBondContact ND2-NE2 3.34Å
495S88.9Confident89.8Confident53 Ų5354.3 Ų54.337%0.37131%0.305SS..EExtended strand (participates in β ladder)trans-96.6150.7172.565.30000112.4Q484Q484-S495 PolarHBondContact OE1-OG 3.37Å; Q484-S495 VanDerWaalsContact OE1-OG 3.1Å
496W87.3Confident89.2Confident127 Ų12750 Ų5048%0.48127%0.27SS..EExtended strand (participates in β ladder)trans-138.9172.7163.568.9-7.8000110L480 S498 G499L480-W496 WeakPolarHBondContact CD2-O 3.28Å; W496-S498 PolarHBondContact NE1-OG 2.97Å; W496-S498 PolarHBondContact O-N 3.49Å; W496-G499 VanDerWaalsContact CD1-O 3.3Å; W496-G499 PolarHBondContact N-O 2.96Å; W496-G499 PolarHBondContact O-N 2.66Å; W496-G499 VanDerWaalsContact O-N 3.1Å
497N80.5Confident88.9Confident170 Ų17049.9 Ų49.991%0.90927%0.271SS*.THydrogen-bonded Turntrans-58-21-169.7-63.91.8000115.3
498S84.8Confident88.9Confident52 Ų5256.2 Ų56.236%0.36430%0.298SS..THydrogen-bonded Turntrans-115.214.7-178.551.70000114.4W496 I513W496-S498 PolarHBondContact NE1-OG 2.97Å; W496-S498 PolarHBondContact O-N 3.49Å; S498-I513 PolarHBondContact O-N 3.46Å
499G92.2Very high89.1Confident0 Ų055.2 Ų55.20%029%0.288CS..EExtended strand (participates in β ladder)trans145.6-135.9177.900000115L480 W496L480-G499 WeakPolarHBondContact CD1-O 3.27Å; W496-G499 VanDerWaalsContact CD1-O 3.3Å; W496-G499 PolarHBondContact N-O 2.96Å; W496-G499 PolarHBondContact O-N 2.66Å; W496-G499 VanDerWaalsContact O-N 3.1Å
500F94.8Very high89.3Confident1 Ų150.4 Ų50.40%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-149.3159-172.661.3-89.5000113.6F401 I457 L483 F493 N494 I502 Y511 I513 F516F401-F500 HydrophobicContact CD2-CE2 4.21Å; F401-F500 HydrophobicContact CD2-CZ 4.26Å; F401-F500 HydrophobicContact CE2-CE2 4.36Å; F401-F500 HydrophobicContact CE2-CZ 4.42Å; I457-F500 HydrophobicContact CD1-CE2 4.49Å; I457-F500 HydrophobicContact CG2-CZ 4.46Å; L483-F500 HydrophobicContact CD1-CD1 4.01Å; L483-F500 HydrophobicContact CD1-CE1 4.1Å; F493-F500 HydrophobicContact CD2-CB 4.44Å; F493-F500 HydrophobicContact CD2-CD2 4.45Å; F493-F500 HydrophobicContact CE2-CB 3.54Å; F493-F500 AromaticContact CE2-CD2 3.9Å; F493-F500 HydrophobicContact CE2-CD2 3.9Å; F493-F500 AromaticContact CE2-CG 3.79Å; F493-F500 HydrophobicContact CE2-CG 3.79Å; F493-F500 HydrophobicContact CZ-CB 3.67Å; F493-F500 HydrophobicContact CZ-CG 4.31Å; N494-F500 CarbonylContact O-C 3.6Å; N494-F500 VanDerWaalsContact O-CA 3.3Å; N494-F500 WeakPolarHBondContact O-CA 3.45Å; F500-I502 HydrophobicContact CD2-CD1 4.32Å; F500-I502 HydrophobicContact CD2-CG1 3.94Å; F500-I502 HydrophobicContact CE2-CD1 3.88Å; F500-I502 HydrophobicContact CE2-CG1 3.99Å; F500-Y511 AromaticContact CD2-CD2 3.91Å; F500-Y511 HydrophobicContact CD2-CD2 3.91Å; F500-Y511 AromaticContact CE2-CD2 3.45Å; F500-Y511 HydrophobicContact CE2-CD2 3.45Å; F500-Y511 VanDerWaalsContact CE2-CD2 3.45Å; F500-Y511 HydrophobicContact CE2-CE2 4.27Å; F500-Y511 AromaticContact CE2-CG 3.97Å; F500-Y511 HydrophobicContact CE2-CG 3.97Å; F500-Y511 HydrophobicContact CZ-CD2 4.17Å; F500-Y511 HydrophobicContact CZ-CG 4.24Å; F500-Y511 PolarHBondContact N-O 2.8Å; F500-Y511 PolarHBondContact O-N 3.43Å; F500-I513 HydrophobicContact CD1-CD1 3.9Å; F500-I513 HydrophobicContact CE1-CD1 3.74Å; F500-F516 HydrophobicContact CE1-CE1 4.11Å; F500-F516 HydrophobicContact CE1-CE2 4.46Å; F500-F516 HydrophobicContact CE1-CZ 4.03Å; F500-F516 AromaticContact CZ-CE1 3.81Å; F500-F516 HydrophobicContact CZ-CE1 3.81Å; F500-F516 HydrophobicContact CZ-CE2 4.47Å; F500-F516 AromaticContact CZ-CZ 3.68Å; F500-F516 HydrophobicContact CZ-CZ 3.68Å
501V94.6Very high89.5Confident21 Ų2147.4 Ų47.413%0.12725%0.246CC..EExtended strand (participates in β ladder)trans-116.3130.7177.6-172.90000108.9F493 N494 K508 V509F493-V501 WeakPolarHBondContact CA-O 3.31Å; N494-V501 HydrophobicContact CB-CB 4.38Å; N494-V501 PolarHBondContact N-O 3.43Å; N494-V501 PolarHBondContact O-N 3.08Å; V501-K508 HydrophobicContact CG1-CB 4.08Å; V501-V509 VanDerWaalsContact CA-O 3.31Å; V501-V509 WeakPolarHBondContact CA-O 3.29Å
502I95.1Very high89.4Confident0 Ų041.2 Ų41.20%022%0.218CC..EExtended strand (participates in β ladder)trans-107.9134.4168.8-56.5-178.9000109.6F401 V444 L447 I448 I457 H492 F500 H504 V509 Y511F401-I502 HydrophobicContact CD2-CD1 3.99Å; F401-I502 HydrophobicContact CE2-CD1 3.8Å; V444-I502 HydrophobicContact CG1-CG2 3.88Å; L447-I502 HydrophobicContact CD2-CG2 4.33Å; I448-I502 HydrophobicContact CD1-CD1 4.2Å; I448-I502 HydrophobicContact CG1-CD1 4.08Å; I457-I502 HydrophobicContact CD1-CD1 3.61Å; I457-I502 HydrophobicContact CD1-CG1 4.27Å; H492-I502 WeakPolarHBondContact O-CA 3.36Å; F500-I502 HydrophobicContact CD2-CD1 4.32Å; F500-I502 HydrophobicContact CD2-CG1 3.94Å; F500-I502 HydrophobicContact CE2-CD1 3.88Å; F500-I502 HydrophobicContact CE2-CG1 3.99Å; I502-H504 PolarHBondContact O-N 2.94Å; I502-V509 PolarHBondContact N-O 3.25Å; I502-V509 PolarHBondContact O-N 2.64Å; I502-Y511 HydrophobicContact CB-CE2 4.12Å; I502-Y511 HydrophobicContact CD1-CD2 4.46Å; I502-Y511 HydrophobicContact CD1-CE2 3.99Å; I502-Y511 HydrophobicContact CG1-CD2 4.31Å; I502-Y511 HydrophobicContact CG1-CE2 3.98Å
503H91.6Very high89.3Confident36 Ų3640.7 Ų40.717%0.16722%0.216CC..EExtended strand (participates in β ladder)trans-83.884.4169-58.1155.9000109.5E491 H492 N494 K508E491-H503 PolarHBondContact O-CE1 2.85Å; E491-H503 PolarHBondContact O-ND1 3.34Å; H492-H503 HydrophobicContact CB-CB 4.12Å; H492-H503 PolarHBondContact ND1-O 3.03Å; H492-H503 PolarHBondContact O-N 3.14Å; N494-H503 PolarHBondContact ND2-CE1 3.21Å; N494-H503 PolarHBondContact ND2-NE2 3.34Å; H503-K508 PolarHBondContact CE1-NZ 3.26Å; H503-K508 WeakPolarHBondContact NE2-CD 3.33Å; H503-K508 VanDerWaalsContact NE2-CE 3.33Å; H503-K508 WeakPolarHBondContact NE2-CE 3.41Å; H503-K508 PolarHBondContact NE2-NZ 2.71Å
504H88.7Confident88.9Confident11 Ų1145.2 Ų45.25%0.05124%0.24CC..EExtended strand (participates in β ladder)trans-78.4165.5175.5-72.7-81.3000111.8F390 E408 I502 A506 G507 Y511F390-H504 HydrophobicContact CE2-CB 3.92Å; F390-H504 HydrophobicContact CZ-CB 3.51Å; F390-H504 AromaticContact CZ-CD2 3.98Å; F390-H504 AromaticContact CZ-CG 3.66Å; E408-H504 WeakPolarHBondContact OE2-CB 3.45Å; E408-H504 IonicContact OE2-CE1 2.67Å; E408-H504 IonicContact OE2-CG 3.45Å; E408-H504 IonicContact OE2-ND1 3.88Å; E408-H504 PolarHBondContact OE2-ND1 3.19Å; I502-H504 PolarHBondContact O-N 2.94Å; H504-A506 PolarHBondContact O-N 3.3Å; H504-A506 VanDerWaalsContact O-N 3.15Å; H504-G507 WeakPolarHBondContact CB-O 3.15Å; H504-G507 PolarHBondContact N-O 3.46Å; H504-G507 PolarHBondContact O-N 2.88Å; H504-Y511 AromaticContact NE2-CE2 3.74Å; H504-Y511 AromaticContact NE2-CZ 3.71Å; H504-Y511 PolarHBondContact NE2-OH 2.87Å
505Y81.7Confident88.3Confident40 Ų4041.8 Ų41.816%0.15723%0.225CC..THydrogen-bonded Turntrans-60.2-22.8174.382.3-79000114.4F390 N407 E408 Q411 N441 Y607F390-Y505 AromaticContact CD2-CE1 3.67Å; F390-Y505 HydrophobicContact CD2-CE1 3.67Å; F390-Y505 HydrophobicContact CE2-CD1 4.26Å; F390-Y505 AromaticContact CE2-CE1 3.83Å; F390-Y505 HydrophobicContact CE2-CE1 3.83Å; N407-Y505 HydrophobicContact CB-CE1 4.31Å; E408-Y505 WeakPolarHBondContact OE1-CD1 3.36Å; E408-Y505 PolarHBondContact OE2-N 3.35Å; Q411-Y505 HydrophobicContact CB-CD1 4.45Å; Q411-Y505 HydrophobicContact CB-CD2 4.38Å; Q411-Y505 HydrophobicContact CB-CE1 4.23Å; Q411-Y505 HydrophobicContact CB-CE2 4.16Å; Q411-Y505 HydrophobicContact CG-CD2 3.76Å; Q411-Y505 HydrophobicContact CG-CE2 3.82Å; Q411-Y505 HydrophobicContact CG-CG 4.14Å; N441-Y505 WeakPolarHBondContact ND2-CB 3.43Å; Y505-Y607 WeakPolarHBondContact CD2-O 3.36Å; Y505-Y607 AromaticContact CE2-CD2 3.92Å; Y505-Y607 HydrophobicContact CE2-CD2 3.92Å; Y505-Y607 VanDerWaalsContact CE2-O 3.32Å; Y505-Y607 WeakPolarHBondContact CE2-O 3.18Å
506A76.7Confident88.2Confident3 Ų339.3 Ų39.33%0.02521%0.208CC..THydrogen-bonded Turntrans-100.919.7176.400000114.3F390 H504 Y607F390-A506 HydrophobicContact CD1-CB 3.69Å; F390-A506 HydrophobicContact CD2-CB 3.95Å; F390-A506 HydrophobicContact CE1-CB 3.78Å; F390-A506 HydrophobicContact CE2-CB 4.04Å; F390-A506 HydrophobicContact CG-CB 3.8Å; F390-A506 HydrophobicContact CZ-CB 3.97Å; H504-A506 PolarHBondContact O-N 3.3Å; H504-A506 VanDerWaalsContact O-N 3.15Å; A506-Y607 HydrophobicContact CB-CD1 4.18Å; A506-Y607 HydrophobicContact CB-CD2 3.97Å; A506-Y607 HydrophobicContact CB-CG 3.72Å
507G82.7Confident88Confident27 Ų2733.3 Ų33.328%0.27819%0.185SC..EExtended strand (participates in β ladder)trans112.3-173.7174.100000113.6H504H504-G507 WeakPolarHBondContact CB-O 3.15Å; H504-G507 PolarHBondContact N-O 3.46Å; H504-G507 PolarHBondContact O-N 2.88Å
508K89Confident87.8Confident142 Ų14228.7 Ų28.762%0.61716%0.158SC*.EExtended strand (participates in β ladder)trans-82.1126179-51.5-161173.5-152.50109.7V501 H503V501-K508 HydrophobicContact CG1-CB 4.08Å; H503-K508 PolarHBondContact CE1-NZ 3.26Å; H503-K508 WeakPolarHBondContact NE2-CD 3.33Å; H503-K508 VanDerWaalsContact NE2-CE 3.33Å; H503-K508 WeakPolarHBondContact NE2-CE 3.41Å; H503-K508 PolarHBondContact NE2-NZ 2.71Å
509V90.8Very high87.5Confident0 Ų030.3 Ų30.30%016%0.156CC..EExtended strand (participates in β ladder)trans-119.3119.4176.9-170.60000109.6F390 I392 N396 V501 I502 Y511F390-V509 HydrophobicContact CE1-CG2 3.73Å; F390-V509 HydrophobicContact CZ-CG2 3.91Å; I392-V509 HydrophobicContact CD1-CG2 4.07Å; I392-V509 HydrophobicContact CG1-CG2 3.92Å; N396-V509 HydrophobicContact CB-CG1 4.23Å; V501-V509 VanDerWaalsContact CA-O 3.31Å; V501-V509 WeakPolarHBondContact CA-O 3.29Å; I502-V509 PolarHBondContact N-O 3.25Å; I502-V509 PolarHBondContact O-N 2.64Å; V509-Y511 HydrophobicContact CB-CE1 4.47Å; V509-Y511 HydrophobicContact CB-CE2 3.9Å; V509-Y511 HydrophobicContact CG1-CD1 4.27Å; V509-Y511 HydrophobicContact CG1-CD2 4.48Å; V509-Y511 HydrophobicContact CG1-CE1 3.63Å; V509-Y511 HydrophobicContact CG1-CE2 3.91Å; V509-Y511 VanDerWaalsContact CG1-CZ 3.44Å
510S93.6Very high87.1Confident46 Ų4630.3 Ų30.332%0.32216%0.156SC..EExtended strand (participates in β ladder)trans-89.7119.8174.5-52.50000110.1N396N396-S510 WeakPolarHBondContact CB-O 3.49Å; N396-S510 PolarHBondContact ND2-O 3.06Å
511Y94.2Very high86.2Confident0 Ų033.4 Ų33.40%017%0.168CC..EExtended strand (participates in β ladder)trans-101.9132.9177.4-59.1-76.5000110.4N396 Q400 F401 N404 F500 I502 H504 V509N396-Y511 HydrophobicContact CB-CD1 3.63Å; N396-Y511 HydrophobicContact CB-CE1 3.98Å; N396-Y511 WeakPolarHBondContact O-CA 3.06Å; Q400-Y511 HydrophobicContact CB-CE1 4.13Å; F401-Y511 VanDerWaalsContact CA-CE1 3.43Å; F401-Y511 HydrophobicContact CB-CD1 3.84Å; F401-Y511 HydrophobicContact CB-CE1 3.67Å; F401-Y511 HydrophobicContact CB-CG 4.43Å; F401-Y511 HydrophobicContact CD2-CE2 4.36Å; N404-Y511 WeakPolarHBondContact CB-OH 3.33Å; N404-Y511 PolarHBondContact ND2-OH 2.86Å; F500-Y511 AromaticContact CD2-CD2 3.91Å; F500-Y511 HydrophobicContact CD2-CD2 3.91Å; F500-Y511 AromaticContact CE2-CD2 3.45Å; F500-Y511 HydrophobicContact CE2-CD2 3.45Å; F500-Y511 VanDerWaalsContact CE2-CD2 3.45Å; F500-Y511 HydrophobicContact CE2-CE2 4.27Å; F500-Y511 AromaticContact CE2-CG 3.97Å; F500-Y511 HydrophobicContact CE2-CG 3.97Å; F500-Y511 HydrophobicContact CZ-CD2 4.17Å; F500-Y511 HydrophobicContact CZ-CG 4.24Å; F500-Y511 PolarHBondContact N-O 2.8Å; F500-Y511 PolarHBondContact O-N 3.43Å; I502-Y511 HydrophobicContact CB-CE2 4.12Å; I502-Y511 HydrophobicContact CD1-CD2 4.46Å; I502-Y511 HydrophobicContact CD1-CE2 3.99Å; I502-Y511 HydrophobicContact CG1-CD2 4.31Å; I502-Y511 HydrophobicContact CG1-CE2 3.98Å; H504-Y511 AromaticContact NE2-CE2 3.74Å; H504-Y511 AromaticContact NE2-CZ 3.71Å; H504-Y511 PolarHBondContact NE2-OH 2.87Å; V509-Y511 HydrophobicContact CB-CE1 4.47Å; V509-Y511 HydrophobicContact CB-CE2 3.9Å; V509-Y511 HydrophobicContact CG1-CD1 4.27Å; V509-Y511 HydrophobicContact CG1-CD2 4.48Å; V509-Y511 HydrophobicContact CG1-CE1 3.63Å; V509-Y511 HydrophobicContact CG1-CE2 3.91Å; V509-Y511 VanDerWaalsContact CG1-CZ 3.44Å
512D91.3Very high84.9Confident28 Ų2835.4 Ų35.415%0.1518%0.178CC..EExtended strand (participates in β ladder)trans-80.8129.7170.8-176.2-11.7000108.7K395 N396 N514 F516K395-D512 WeakPolarHBondContact CE-OD2 3.32Å; K395-D512 HydrophobicContact CG-CB 4.37Å; K395-D512 IonicContact NZ-OD2 2.79Å; K395-D512 PolarHBondContact NZ-OD2 3.25Å; N396-D512 PolarHBondContact O-N 3.13Å; D512-N514 VanDerWaalsContact C-N 3.31Å; D512-N514 WeakPolarHBondContact OD1-CB 3.27Å; D512-N514 PolarHBondContact OD1-N 3.32Å; D512-N514 PolarHBondContact OD1-ND2 2.97Å; D512-F516 WeakPolarHBondContact O-CD2 3.26Å; D512-F516 WeakPolarHBondContact O-CE2 3.38Å
513I89.1Confident83.4Confident9 Ų937.9 Ų37.95%0.04619%0.193CC..  trans-75.5-18.2-178.7-153.968.9000113.2D476 L479 L480 L483 S498 F500 G515 F516D476-I513 HydrophobicContact CB-CG1 4Å; D476-I513 HydrophobicContact CB-CG2 4.23Å; D476-I513 WeakPolarHBondContact CB-O 3.49Å; D476-I513 WeakPolarHBondContact O-CG1 3.46Å; L479-I513 HydrophobicContact CD2-CD1 3.65Å; L479-I513 HydrophobicContact CD2-CG1 4.27Å; L479-I513 HydrophobicContact CG-CD1 4.04Å; L480-I513 HydrophobicContact CB-CG1 4.39Å; L483-I513 HydrophobicContact CD1-CD1 4.5Å; S498-I513 PolarHBondContact O-N 3.46Å; F500-I513 HydrophobicContact CD1-CD1 3.9Å; F500-I513 HydrophobicContact CE1-CD1 3.74Å; I513-G515 PolarHBondContact O-N 3.35Å; I513-G515 VanDerWaalsContact O-N 3.12Å; I513-F516 HydrophobicContact CD1-CB 4.35Å; I513-F516 HydrophobicContact CD1-CG 4.34Å; I513-F516 WeakPolarHBondContact O-CB 3.43Å; I513-F516 PolarHBondContact O-N 2.87Å
514N86Confident82.5Confident100 Ų10037.7 Ų37.754%0.53519%0.193SC..THydrogen-bonded Turntrans-63.7113.8-171.7-69.8-63.5000112.2D512 R519D512-N514 VanDerWaalsContact C-N 3.31Å; D512-N514 WeakPolarHBondContact OD1-CB 3.27Å; D512-N514 PolarHBondContact OD1-N 3.32Å; D512-N514 PolarHBondContact OD1-ND2 2.97Å; N514-R519 PolarHBondContact O-NH1 3.05Å
515G80.3Confident82.1Confident12 Ų1239.7 Ų39.712%0.12420%0.201CC..THydrogen-bonded Turntrans78.822.8-176.300000114.3D476 I513 R519D476-G515 VanDerWaalsContact OD2-CA 3.3Å; D476-G515 WeakPolarHBondContact OD2-CA 3.35Å; D476-G515 PolarHBondContact OD2-N 2.98Å; I513-G515 PolarHBondContact O-N 3.35Å; I513-G515 VanDerWaalsContact O-N 3.12Å; G515-R519 WeakPolarHBondContact O-CB 3.26Å; G515-R519 WeakPolarHBondContact O-CD 3.44Å; G515-R519 WeakPolarHBondContact O-CG 3.37Å; G515-R519 PolarHBondContact O-N 3.37Å; G515-R519 PolarHBondContact O-NH1 2.94Å
516F86.6Confident82.1Confident1 Ų141.4 Ų41.40%0.00422%0.217CC..Hα-helixtrans-68-47.3173.4-113-107.3000111F398 F401 L461 D476 L479 F500 D512 I513 N520F398-F516 HydrophobicContact CB-CD1 4.28Å; F398-F516 HydrophobicContact CB-CD2 4.19Å; F398-F516 HydrophobicContact CB-CE1 4.25Å; F398-F516 HydrophobicContact CB-CE2 4.15Å; F398-F516 HydrophobicContact CB-CG 4.26Å; F398-F516 HydrophobicContact CB-CZ 4.18Å; F398-F516 AromaticContact CD2-CD1 3.82Å; F398-F516 HydrophobicContact CD2-CD1 3.82Å; F398-F516 AromaticContact CD2-CE1 3.82Å; F398-F516 HydrophobicContact CD2-CE1 3.82Å; F401-F516 HydrophobicContact CB-CE1 4.31Å; F401-F516 HydrophobicContact CB-CZ 3.84Å; F401-F516 AromaticContact CD1-CE1 3.87Å; F401-F516 HydrophobicContact CD1-CE1 3.87Å; F401-F516 HydrophobicContact CD1-CZ 4.27Å; F401-F516 HydrophobicContact CE1-CE1 4.32Å; F401-F516 HydrophobicContact CG-CE1 4.05Å; F401-F516 HydrophobicContact CG-CZ 4.04Å; L461-F516 HydrophobicContact CD1-CB 4.4Å; L461-F516 HydrophobicContact CD1-CD1 4.35Å; L461-F516 HydrophobicContact CD2-CD1 4.18Å; D476-F516 PolarHBondContact OD1-N 2.78Å; L479-F516 HydrophobicContact CD2-CB 3.8Å; L479-F516 HydrophobicContact CD2-CD1 4.41Å; L479-F516 HydrophobicContact CD2-CG 4.44Å; F500-F516 HydrophobicContact CE1-CE1 4.11Å; F500-F516 HydrophobicContact CE1-CE2 4.46Å; F500-F516 HydrophobicContact CE1-CZ 4.03Å; F500-F516 AromaticContact CZ-CE1 3.81Å; F500-F516 HydrophobicContact CZ-CE1 3.81Å; F500-F516 HydrophobicContact CZ-CE2 4.47Å; F500-F516 AromaticContact CZ-CZ 3.68Å; F500-F516 HydrophobicContact CZ-CZ 3.68Å; D512-F516 WeakPolarHBondContact O-CD2 3.26Å; D512-F516 WeakPolarHBondContact O-CE2 3.38Å; I513-F516 HydrophobicContact CD1-CB 4.35Å; I513-F516 HydrophobicContact CD1-CG 4.34Å; I513-F516 WeakPolarHBondContact O-CB 3.43Å; I513-F516 PolarHBondContact O-N 2.87Å; F516-N520 VanDerWaalsContact O-CB 3.27Å; F516-N520 WeakPolarHBondContact O-CB 3.49Å; F516-N520 PolarHBondContact O-N 2.68Å
517C84.4Confident82.5Confident1 Ų141.8 Ų41.81%0.00722%0.219CC..Hα-helixtrans-67.6-33.4178.8-77.30000113C465 A475 D476 R521C465-C517 PolarHBondContact SG-O 2.9Å; A475-C517 HydrophobicContact CB-CB 4.06Å; D476-C517 WeakPolarHBondContact OD1-CB 3.47Å; D476-C517 PolarHBondContact OD1-N 3.23Å; C517-R521 WeakPolarHBondContact O-CD 3.28Å; C517-R521 VanDerWaalsContact O-CG 3.28Å; C517-R521 WeakPolarHBondContact O-CG 3.33Å; C517-R521 PolarHBondContact O-N 3.11Å
518E75.9Confident82.8Confident73 Ų7340.5 Ų40.534%0.34121%0.206SC..Hα-helixtrans-66.8-57.4175.5-171.8-124.3130.400110.7Y348 N520 R521Y348-E518 HydrophobicContact CE1-CG 4.31Å; E518-N520 VanDerWaalsContact C-N 3.27Å; E518-N520 PolarHBondContact O-N 2.78Å; E518-R521 WeakPolarHBondContact O-CB 3.46Å; E518-R521 PolarHBondContact O-N 3.36Å
519R78.8Confident82.8Confident85 Ų8534.4 Ų34.432%0.32118%0.18SC..Hα-helixtrans-58.2-36178.6-68.3174-178.994-6.7113.2F398 E399 N514 G515 R521F398-R519 HydrophobicContact CB-CB 4.14Å; F398-R519 HydrophobicContact CD1-CB 3.69Å; F398-R519 HydrophobicContact CE1-CB 4.4Å; F398-R519 HydrophobicContact CG-CB 4.1Å; E399-R519 VanDerWaalsContact OE1-CD 3.28Å; E399-R519 WeakPolarHBondContact OE1-CD 3.48Å; E399-R519 IonicContact OE1-NE 3.6Å; E399-R519 PolarHBondContact OE1-NE 3.24Å; E399-R519 VanDerWaalsContact OE2-CD 3.27Å; E399-R519 WeakPolarHBondContact OE2-CD 3.3Å; E399-R519 IonicContact OE2-CZ 3.04Å; E399-R519 IonicContact OE2-NE 2.71Å; E399-R519 PolarHBondContact OE2-NE 3Å; E399-R519 VanDerWaalsContact OE2-NE 3.12Å; N514-R519 PolarHBondContact O-NH1 3.05Å; G515-R519 WeakPolarHBondContact O-CB 3.26Å; G515-R519 WeakPolarHBondContact O-CD 3.44Å; G515-R519 WeakPolarHBondContact O-CG 3.37Å; G515-R519 PolarHBondContact O-N 3.37Å; G515-R519 PolarHBondContact O-NH1 2.94Å; R519-R521 VanDerWaalsContact C-N 3.32Å; R519-R521 PolarHBondContact O-N 3.44Å
520N82.8Confident82.7Confident0 Ų037.3 Ų37.30%019%0.193CC..Hα-helixtrans-70.2-26.5178.9-175.256.6000113.7F398 L461 D462 C465 F516 E518 T558 A559 S560F398-N520 HydrophobicContact CE2-CB 4.01Å; F398-N520 HydrophobicContact CZ-CB 4Å; L461-N520 HydrophobicContact CD1-CB 3.98Å; L461-N520 HydrophobicContact CD2-CB 3.87Å; L461-N520 HydrophobicContact CG-CB 3.93Å; D462-N520 PolarHBondContact OD1-ND2 3.03Å; C465-N520 PolarHBondContact SG-ND2 3.18Å; F516-N520 VanDerWaalsContact O-CB 3.27Å; F516-N520 WeakPolarHBondContact O-CB 3.49Å; F516-N520 PolarHBondContact O-N 2.68Å; E518-N520 VanDerWaalsContact C-N 3.27Å; E518-N520 PolarHBondContact O-N 2.78Å; N520-T558 CarbonylContact O-C 3.56Å; N520-T558 WeakPolarHBondContact O-CA 3.44Å; N520-T558 VanDerWaalsContact O-CB 3.26Å; N520-T558 WeakPolarHBondContact O-CB 3.3Å; N520-A559 PolarHBondContact O-N 3.23Å; N520-S560 WeakPolarHBondContact OD1-CB 3.38Å; N520-S560 PolarHBondContact OD1-N 3.19Å
521R75.5Confident82.7Confident66 Ų6635.1 Ų35.125%0.24918%0.178CC..Hα-helixtrans-62.5-49-179.4-80.8163.5171.71610.2111.2C465 M468 C517 E518 R519 V523C465-R521 HydrophobicContact CB-CG 4.07Å; C465-R521 PolarHBondContact O-NE 3.21Å; C465-R521 PolarHBondContact O-NH2 2.76Å; M468-R521 PolarHBondContact O-NH2 2.82Å; C517-R521 WeakPolarHBondContact O-CD 3.28Å; C517-R521 VanDerWaalsContact O-CG 3.28Å; C517-R521 WeakPolarHBondContact O-CG 3.33Å; C517-R521 PolarHBondContact O-N 3.11Å; E518-R521 WeakPolarHBondContact O-CB 3.46Å; E518-R521 PolarHBondContact O-N 3.36Å; R519-R521 VanDerWaalsContact C-N 3.32Å; R519-R521 PolarHBondContact O-N 3.44Å; R521-V523 HydrophobicContact CB-CG2 4.27Å; R521-V523 VanDerWaalsContact O-CG2 3.29Å; R521-V523 WeakPolarHBondContact O-CG2 3.45Å; R521-V523 PolarHBondContact O-N 2.97Å
522D67.4Low82.7Confident63 Ų6335.1 Ų35.134%0.33718%0.178SC..  trans49.726.7178.3-163.737.7000113.9K194 L524 A559K194-D522 IonicContact NZ-OD1 2.7Å; K194-D522 PolarHBondContact NZ-OD1 3.04Å; K194-D522 IonicContact NZ-OD2 3.66Å; K194-D522 PolarHBondContact NZ-OD2 3.25Å; D522-L524 PolarHBondContact O-N 2.83Å; D522-A559 HydrophobicContact CB-CB 4Å
523V64.2Low82.8Confident53 Ų5336.9 Ų36.932%0.32119%0.185SC..  trans-84.6109.9-174.4-179.20000109.9R521 F525 P556R521-V523 HydrophobicContact CB-CG2 4.27Å; R521-V523 VanDerWaalsContact O-CG2 3.29Å; R521-V523 WeakPolarHBondContact O-CG2 3.45Å; R521-V523 PolarHBondContact O-N 2.97Å; V523-F525 HydrophobicContact CG1-CD1 4.3Å; V523-F525 HydrophobicContact CG1-CE1 4.27Å; V523-P556 HydrophobicContact CG2-CB 4.06Å
524L73.8Confident83.1Confident31 Ų3138.2 Ų38.216%0.16220%0.196CC..  trans-75.5124.4159-175.170.5000109A356 D522 L528 I529 F544A356-L524 HydrophobicContact CB-CD1 3.77Å; A356-L524 HydrophobicContact CB-CD2 3.98Å; A356-L524 HydrophobicContact CB-CG 4.36Å; D522-L524 PolarHBondContact O-N 2.83Å; L524-L528 HydrophobicContact CD1-CB 3.71Å; L524-L528 HydrophobicContact CD1-CD1 3.65Å; L524-L528 HydrophobicContact CD1-CG 4.36Å; L524-L528 HydrophobicContact CG-CB 4.27Å; L524-I529 HydrophobicContact CD2-CD1 4.14Å; L524-I529 HydrophobicContact CD2-CG1 3.51Å; L524-I529 HydrophobicContact CG-CG1 4.05Å; L524-F544 HydrophobicContact CD2-CD1 4.24Å; L524-F544 HydrophobicContact CD2-CE1 3.8Å
525F79.1Confident83.6Confident53 Ų5333.6 Ų33.623%0.23217%0.171CC..  trans-72.7145.9-179.7-57.7-72.3000111.9R324 V523 D527 L528 I529R324-F525 VanDerWaalsContact CZ-CE2 3.48Å; R324-F525 VanDerWaalsContact CZ-CZ 3.47Å; R324-F525 VanDerWaalsContact NH2-CE2 3.34Å; V523-F525 HydrophobicContact CG1-CD1 4.3Å; V523-F525 HydrophobicContact CG1-CE1 4.27Å; F525-D527 PolarHBondContact O-N 2.85Å; F525-D527 VanDerWaalsContact O-N 3.16Å; F525-L528 HydrophobicContact CD2-CD1 4.41Å; F525-L528 PolarHBondContact O-N 3.29Å; F525-I529 PolarHBondContact O-N 3.05Å
526P82.4Confident84.3Confident76 Ų7640.3 Ų40.349%0.49420%0.199SC..Hα-helixtrans-53.2-35.3176.5-28.436.4000113.7L528 I529 E530 L548P526-L528 VanDerWaalsContact C-N 3.28Å; P526-L528 PolarHBondContact O-N 3.41Å; P526-I529 WeakPolarHBondContact O-CB 3.5Å; P526-I529 PolarHBondContact O-N 3.36Å; P526-I529 VanDerWaalsContact O-N 3.12Å; P526-E530 PolarHBondContact O-N 3.27Å; P526-L548 HydrophobicContact CB-CD1 4.38Å; P526-L548 HydrophobicContact CB-CD2 4.16Å
527D84.3Confident84.7Confident11 Ų1143 Ų436%0.05921%0.211CC..Hα-helixtrans-53.6-39.5174.2-75.6-59.2000114K320 R324 K325 F525 L531K320-D527 HydrophobicContact CD-CB 4Å; K320-D527 IonicContact NZ-OD1 2.57Å; K320-D527 PolarHBondContact NZ-OD1 2.83Å; R324-D527 VanDerWaalsContact CG-OD2 3.32Å; R324-D527 WeakPolarHBondContact CG-OD2 3.44Å; K325-D527 WeakPolarHBondContact CB-OD1 3.34Å; K325-D527 PolarHBondContact N-OD2 3.26Å; F525-D527 PolarHBondContact O-N 2.85Å; F525-D527 VanDerWaalsContact O-N 3.16Å; D527-L531 WeakPolarHBondContact O-CB 3.32Å; D527-L531 PolarHBondContact O-N 2.92Å
528L88.9Confident85.2Confident1 Ų148.4 Ų48.41%0.00524%0.24CC..Hα-helixtrans-79.7-28.8179.3-65.2176.4000112.1T349 A352 L353 L524 F525 P526 L531 M532T349-L528 HydrophobicContact CG2-CD1 3.89Å; T349-L528 HydrophobicContact CG2-CD2 4.01Å; T349-L528 HydrophobicContact CG2-CG 4.24Å; A352-L528 HydrophobicContact CB-CD1 4.5Å; L353-L528 HydrophobicContact CB-CD1 4.22Å; L353-L528 HydrophobicContact CB-CD2 4.39Å; L353-L528 HydrophobicContact CD1-CB 4.49Å; L353-L528 HydrophobicContact CD2-CD2 4.42Å; L524-L528 HydrophobicContact CD1-CB 3.71Å; L524-L528 HydrophobicContact CD1-CD1 3.65Å; L524-L528 HydrophobicContact CD1-CG 4.36Å; L524-L528 HydrophobicContact CG-CB 4.27Å; F525-L528 HydrophobicContact CD2-CD1 4.41Å; F525-L528 PolarHBondContact O-N 3.29Å; P526-L528 VanDerWaalsContact C-N 3.28Å; P526-L528 PolarHBondContact O-N 3.41Å; L528-L531 HydrophobicContact CD2-CD2 4.47Å; L528-M532 WeakPolarHBondContact O-CG 3.49Å; L528-M532 PolarHBondContact O-N 3.38Å; L528-M532 VanDerWaalsContact O-N 3.15Å
529I88.8Confident86.2Confident13 Ų1345.4 Ų45.47%0.06723%0.226CC..Hα-helixtrans-67.2-46.7170.6-61.1175000109.3L524 F525 P526 L531 M532 Q533 F544 E546 L548L524-I529 HydrophobicContact CD2-CD1 4.14Å; L524-I529 HydrophobicContact CD2-CG1 3.51Å; L524-I529 HydrophobicContact CG-CG1 4.05Å; F525-I529 PolarHBondContact O-N 3.05Å; P526-I529 WeakPolarHBondContact O-CB 3.5Å; P526-I529 PolarHBondContact O-N 3.36Å; P526-I529 VanDerWaalsContact O-N 3.12Å; I529-L531 VanDerWaalsContact C-N 3.33Å; I529-L531 PolarHBondContact O-N 2.94Å; I529-M532 PolarHBondContact O-N 3.45Å; I529-Q533 HydrophobicContact CG2-CG 4.29Å; I529-Q533 VanDerWaalsContact O-CB 3.31Å; I529-Q533 WeakPolarHBondContact O-CB 3.36Å; I529-Q533 VanDerWaalsContact O-CG 3.25Å; I529-Q533 WeakPolarHBondContact O-CG 3.36Å; I529-Q533 PolarHBondContact O-N 3.37Å; I529-F544 HydrophobicContact CG1-CD1 4.43Å; I529-F544 HydrophobicContact CG2-CB 4.43Å; I529-E546 HydrophobicContact CD1-CB 4.45Å; I529-E546 HydrophobicContact CG2-CB 4.24Å; I529-L548 HydrophobicContact CB-CD1 4.41Å; I529-L548 HydrophobicContact CB-CD2 4.27Å; I529-L548 HydrophobicContact CD1-CD2 4.21Å; I529-L548 HydrophobicContact CG2-CD1 4.27Å; I529-L548 HydrophobicContact CG2-CD2 4Å; I529-L548 HydrophobicContact CG2-CG 4.29Å
530E89.6Confident86.9Confident61 Ų6141.4 Ų41.429%0.28521%0.211SC..Hα-helixtrans-58.2-43.1175.8-167-149.9137.600111.6R316 K320 P526 Q533 S534 L548R316-E530 IonicContact CZ-OE1 2.63Å; R316-E530 IonicContact NE-OE1 3.29Å; R316-E530 IonicContact NH2-OE1 3.68Å; R316-E530 PolarHBondContact NH2-OE1 2.92Å; K320-E530 WeakPolarHBondContact CE-OE2 3.41Å; K320-E530 IonicContact NZ-OE1 2.78Å; K320-E530 IonicContact NZ-OE2 3.71Å; K320-E530 PolarHBondContact NZ-OE2 3.31Å; P526-E530 PolarHBondContact O-N 3.27Å; E530-Q533 PolarHBondContact O-N 3.25Å; E530-S534 PolarHBondContact O-N 3.01Å; E530-L548 HydrophobicContact CB-CD1 4.17Å
531L92.8Very high87.5Confident0 Ų046.1 Ų46.10%023%0.229CC..Hα-helixtrans-59.5-50.6176.7-176.967000111.6I312 R316 L317 K320 L353 D527 L528 I529 Q533 S534I312-L531 HydrophobicContact CD1-CD1 4.35Å; I312-L531 HydrophobicContact CD1-CD2 4.25Å; I312-L531 HydrophobicContact CD1-CG 4.22Å; R316-L531 HydrophobicContact CB-CD1 4.11Å; R316-L531 HydrophobicContact CG-CD1 3.91Å; L317-L531 HydrophobicContact CD1-CD2 3.86Å; K320-L531 HydrophobicContact CB-CD2 4.2Å; K320-L531 HydrophobicContact CG-CB 4.45Å; K320-L531 HydrophobicContact CG-CD1 4.4Å; L353-L531 HydrophobicContact CD2-CD2 4.44Å; D527-L531 WeakPolarHBondContact O-CB 3.32Å; D527-L531 PolarHBondContact O-N 2.92Å; L528-L531 HydrophobicContact CD2-CD2 4.47Å; I529-L531 VanDerWaalsContact C-N 3.33Å; I529-L531 PolarHBondContact O-N 2.94Å; L531-Q533 VanDerWaalsContact C-N 3.34Å; L531-Q533 PolarHBondContact O-N 3.4Å; L531-S534 WeakPolarHBondContact O-CB 3.49Å; L531-S534 PolarHBondContact O-N 2.99Å; L531-S534 PolarHBondContact O-OG 2.88Å
532M94.8Very high88.4Confident0 Ų046.4 Ų46.40%024%0.241CC..Hα-helixtrans-69.2-32178.8-63.6-65.6104.600112.7L310 I312 L353 L357 L528 I529 S534 S535 I540 F544L310-M532 HydrophobicContact CD1-CE 4.25Å; I312-M532 HydrophobicContact CD1-CE 3.7Å; I312-M532 HydrophobicContact CG2-CE 4.31Å; L353-M532 HydrophobicContact CD1-CE 3.94Å; L353-M532 HydrophobicContact CD1-CG 3.82Å; L353-M532 HydrophobicContact CD1-SD 3.9Å; L353-M532 HydrophobicContact CD2-CE 4.1Å; L357-M532 HydrophobicContact CD1-SD 4.2Å; L357-M532 HydrophobicContact CD2-SD 3.84Å; L357-M532 HydrophobicContact CG-SD 4.29Å; L528-M532 WeakPolarHBondContact O-CG 3.49Å; L528-M532 PolarHBondContact O-N 3.38Å; L528-M532 VanDerWaalsContact O-N 3.15Å; I529-M532 PolarHBondContact O-N 3.45Å; M532-S534 PolarHBondContact O-N 2.95Å; M532-S535 VanDerWaalsContact O-CB 3.25Å; M532-S535 WeakPolarHBondContact O-CB 3.37Å; M532-S535 PolarHBondContact O-N 2.79Å; M532-I540 HydrophobicContact CB-CG2 4.5Å; M532-I540 HydrophobicContact SD-CG2 4.26Å; M532-F544 HydrophobicContact CB-CB 4.44Å; M532-F544 HydrophobicContact CB-CD1 4Å; M532-F544 HydrophobicContact CB-CD2 3.51Å; M532-F544 HydrophobicContact CB-CE1 4.08Å; M532-F544 HydrophobicContact CB-CE2 3.63Å; M532-F544 HydrophobicContact CB-CG 3.72Å; M532-F544 HydrophobicContact CB-CZ 3.92Å; M532-F544 HydrophobicContact CG-CD1 4.33Å; M532-F544 HydrophobicContact CG-CD2 4.12Å; M532-F544 HydrophobicContact CG-CE1 3.9Å; M532-F544 HydrophobicContact CG-CE2 3.69Å; M532-F544 HydrophobicContact CG-CG 4.43Å; M532-F544 HydrophobicContact CG-CZ 3.58Å; M532-F544 HydrophobicContact SD-CE2 4.38Å; M532-F544 HydrophobicContact SD-CZ 4.46Å
533Q93.6Very high89.7Confident65 Ų6544 Ų4430%0.30423%0.228SC..Hα-helixtrans-66.4-16.7170.6-76175.9-11.400113.1I529 E530 L531 R541 F544 E546I529-Q533 HydrophobicContact CG2-CG 4.29Å; I529-Q533 VanDerWaalsContact O-CB 3.31Å; I529-Q533 WeakPolarHBondContact O-CB 3.36Å; I529-Q533 VanDerWaalsContact O-CG 3.25Å; I529-Q533 WeakPolarHBondContact O-CG 3.36Å; I529-Q533 PolarHBondContact O-N 3.37Å; E530-Q533 PolarHBondContact O-N 3.25Å; L531-Q533 VanDerWaalsContact C-N 3.34Å; L531-Q533 PolarHBondContact O-N 3.4Å; Q533-R541 VanDerWaalsContact O-CD 3.27Å; Q533-R541 WeakPolarHBondContact O-CD 3.42Å; Q533-R541 WeakPolarHBondContact O-CG 3.46Å; Q533-F544 HydrophobicContact CG-CB 4.14Å; Q533-F544 WeakPolarHBondContact CG-O 3.25Å; Q533-F544 PolarHBondContact NE2-O 3.23Å; Q533-E546 PolarHBondContact NE2-O 3.19Å
534S94.6Very high91Very high38 Ų3841.6 Ų41.627%0.26621%0.213SC..THydrogen-bonded Turntrans-88-2.717377.40000114.9R316 E530 L531 M532R316-S534 VanDerWaalsContact NH1-CB 3.29Å; E530-S534 PolarHBondContact O-N 3.01Å; L531-S534 WeakPolarHBondContact O-CB 3.49Å; L531-S534 PolarHBondContact O-N 2.99Å; L531-S534 PolarHBondContact O-OG 2.88Å; M532-S534 PolarHBondContact O-N 2.95Å
535S96.6Very high91.7Very high2 Ų244.8 Ų44.81%0.01424%0.235CC..  trans-59.2137.9179.2176.50000112.7L310 G311 M532 F537 R541L310-S535 WeakPolarHBondContact O-CB 3.49Å; L310-S535 PolarHBondContact O-OG 3.06Å; G311-S535 CarbonylContact O-C 3.58Å; G311-S535 VanDerWaalsContact O-CA 3.27Å; G311-S535 WeakPolarHBondContact O-CA 3.27Å; M532-S535 VanDerWaalsContact O-CB 3.25Å; M532-S535 WeakPolarHBondContact O-CB 3.37Å; M532-S535 PolarHBondContact O-N 2.79Å; S535-F537 PolarHBondContact O-N 2.81Å; S535-F537 PolarHBondContact OG-N 2.77Å; S535-F537 VanDerWaalsContact OG-N 3.16Å; S535-R541 WeakPolarHBondContact O-CD 3.39Å; S535-R541 WeakPolarHBondContact O-CG 3.42Å; S535-R541 PolarHBondContact O-NE 3.27Å
536E95.9Very high92Very high154 Ų15444.7 Ų44.772%0.7224%0.236SC*.SBendtrans-59.5-33.6170.6-65.7-170.6166.500111.9G311 N538 R541G311-E536 PolarHBondContact O-N 3.35Å; E536-N538 PolarHBondContact O-N 2.83Å; E536-R541 PolarHBondContact O-NH2 2.82Å
537F95.3Very high91.9Very high57 Ų5746.9 Ų46.925%0.2524%0.244CC..  trans-74.9115.6-176.6-61.9-70000112.1Q272 G311 S535 F539 I540 R541Q272-F537 HydrophobicContact CG-CD1 4.49Å; G311-F537 VanDerWaalsContact CA-CE2 3.46Å; S535-F537 PolarHBondContact O-N 2.81Å; S535-F537 PolarHBondContact OG-N 2.77Å; S535-F537 VanDerWaalsContact OG-N 3.16Å; F537-F539 PolarHBondContact O-N 2.87Å; F537-I540 HydrophobicContact CB-CB 4.27Å; F537-I540 HydrophobicContact CB-CD1 4.11Å; F537-I540 HydrophobicContact CB-CG1 4.13Å; F537-I540 HydrophobicContact CD2-CD1 4.06Å; F537-I540 HydrophobicContact CG-CD1 4.45Å; F537-I540 PolarHBondContact O-N 3Å; F537-R541 PolarHBondContact O-N 2.82Å; F537-R541 VanDerWaalsContact O-N 3.1Å
538N95.1Very high91.4Very high115 Ų11549.8 Ų49.862%0.61526%0.258SS*.Hα-helixtrans-56.2-33.8177.5-69.9-50.6000112.4E536 R541 S542E536-N538 PolarHBondContact O-N 2.83Å; N538-R541 VanDerWaalsContact OD1-CZ 3.22Å; N538-R541 PolarHBondContact OD1-NH1 3.41Å; N538-R541 PolarHBondContact OD1-NH2 3.32Å; N538-S542 WeakPolarHBondContact O-CB 3.49Å; N538-S542 PolarHBondContact O-N 3.08Å
539F95.6Very high90.2Very high9 Ų957.7 Ų57.74%0.03930%0.301CS..Hα-helixtrans-66.1-49.5178.2-179.5-123.4000111.7I269 Q272 V273 I276 L361 Y364 F537 R541 S542 L543I269-F539 HydrophobicContact CD1-CB 4.08Å; I269-F539 HydrophobicContact CD1-CD2 4.07Å; I269-F539 HydrophobicContact CD1-CG 4.11Å; I269-F539 HydrophobicContact CG2-CD1 4.47Å; I269-F539 HydrophobicContact CG2-CD2 4.1Å; I269-F539 HydrophobicContact CG2-CE1 4.2Å; I269-F539 HydrophobicContact CG2-CE2 3.84Å; I269-F539 HydrophobicContact CG2-CG 4.41Å; I269-F539 HydrophobicContact CG2-CZ 3.89Å; Q272-F539 HydrophobicContact CB-CD1 3.73Å; Q272-F539 HydrophobicContact CB-CE1 4.4Å; Q272-F539 VanDerWaalsContact OE1-CB 3.3Å; V273-F539 HydrophobicContact CG2-CE1 4Å; V273-F539 HydrophobicContact CG2-CZ 4.13Å; I276-F539 HydrophobicContact CD1-CD1 3.81Å; I276-F539 HydrophobicContact CD1-CE1 3.66Å; L361-F539 HydrophobicContact CD1-CE1 4.04Å; L361-F539 HydrophobicContact CD1-CZ 4.14Å; Y364-F539 AromaticContact CD1-CE2 3.76Å; Y364-F539 HydrophobicContact CD1-CE2 3.76Å; Y364-F539 AromaticContact CD1-CZ 3.51Å; Y364-F539 HydrophobicContact CD1-CZ 3.51Å; Y364-F539 AromaticContact CD2-CE2 3.87Å; Y364-F539 HydrophobicContact CD2-CE2 3.87Å; Y364-F539 HydrophobicContact CD2-CZ 4.42Å; Y364-F539 AromaticContact CE1-CE2 3.67Å; Y364-F539 HydrophobicContact CE1-CE2 3.67Å; Y364-F539 AromaticContact CE1-CZ 3.6Å; Y364-F539 HydrophobicContact CE1-CZ 3.6Å; Y364-F539 AromaticContact CE2-CE2 3.77Å; Y364-F539 HydrophobicContact CE2-CE2 3.77Å; Y364-F539 HydrophobicContact CE2-CZ 4.5Å; Y364-F539 AromaticContact CG-CE2 3.87Å; Y364-F539 HydrophobicContact CG-CE2 3.87Å; Y364-F539 AromaticContact CG-CZ 3.96Å; Y364-F539 HydrophobicContact CG-CZ 3.96Å; Y364-F539 AromaticContact CZ-CE2 3.69Å; F537-F539 PolarHBondContact O-N 2.87Å; F539-R541 VanDerWaalsContact C-N 3.33Å; F539-R541 PolarHBondContact O-N 2.93Å; F539-S542 WeakPolarHBondContact O-CA 3.43Å; F539-S542 WeakPolarHBondContact O-CB 3.23Å; F539-S542 PolarHBondContact O-N 2.92Å; F539-S542 PolarHBondContact O-OG 3.09Å; F539-L543 HydrophobicContact CE1-CD1 4.45Å; F539-L543 HydrophobicContact CE2-CD2 4.24Å; F539-L543 HydrophobicContact CZ-CD2 4.3Å; F539-L543 PolarHBondContact O-N 3.45Å
540I95.1Very high88.8Confident2 Ų260.8 Ų60.81%0.0132%0.321CS..Hα-helixtrans-57.8-47176.2-65.9177.6000109.9I276 L310 M532 F537 S542 L543 F544I276-I540 HydrophobicContact CD1-CD1 4.44Å; I276-I540 HydrophobicContact CD1-CG1 3.79Å; I276-I540 HydrophobicContact CG1-CD1 3.96Å; I276-I540 HydrophobicContact CG1-CG1 3.87Å; L310-I540 HydrophobicContact CB-CD1 4.36Å; L310-I540 HydrophobicContact CD2-CD1 4.03Å; L310-I540 WeakPolarHBondContact O-CD1 3.39Å; M532-I540 HydrophobicContact CB-CG2 4.5Å; M532-I540 HydrophobicContact SD-CG2 4.26Å; F537-I540 HydrophobicContact CB-CB 4.27Å; F537-I540 HydrophobicContact CB-CD1 4.11Å; F537-I540 HydrophobicContact CB-CG1 4.13Å; F537-I540 HydrophobicContact CD2-CD1 4.06Å; F537-I540 HydrophobicContact CG-CD1 4.45Å; F537-I540 PolarHBondContact O-N 3Å; I540-S542 VanDerWaalsContact C-N 3.28Å; I540-S542 PolarHBondContact O-N 3.23Å; I540-L543 WeakPolarHBondContact O-CB 3.5Å; I540-L543 PolarHBondContact O-N 2.97Å; I540-L543 VanDerWaalsContact O-N 3.08Å; I540-F544 WeakPolarHBondContact O-CD2 3.47Å
541R94.8Very high86.8Confident98 Ų9864.9 Ų64.937%0.3734%0.34SS..Hα-helixtrans-56.4-39.1174.2-74.9-173.8-88.6142.6-7.8113.1Q533 S535 E536 F537 N538 F539 L543 F544Q533-R541 VanDerWaalsContact O-CD 3.27Å; Q533-R541 WeakPolarHBondContact O-CD 3.42Å; Q533-R541 WeakPolarHBondContact O-CG 3.46Å; S535-R541 WeakPolarHBondContact O-CD 3.39Å; S535-R541 WeakPolarHBondContact O-CG 3.42Å; S535-R541 PolarHBondContact O-NE 3.27Å; E536-R541 PolarHBondContact O-NH2 2.82Å; F537-R541 PolarHBondContact O-N 2.82Å; F537-R541 VanDerWaalsContact O-N 3.1Å; N538-R541 VanDerWaalsContact OD1-CZ 3.22Å; N538-R541 PolarHBondContact OD1-NH1 3.41Å; N538-R541 PolarHBondContact OD1-NH2 3.32Å; F539-R541 VanDerWaalsContact C-N 3.33Å; F539-R541 PolarHBondContact O-N 2.93Å; R541-L543 VanDerWaalsContact C-N 3.28Å; R541-L543 PolarHBondContact O-N 2.88Å; R541-F544 CarbonylContact O-C 3.6Å; R541-F544 PolarHBondContact O-N 3.36Å; R541-F544 VanDerWaalsContact O-N 3.11Å
542S94.3Very high84.8Confident72 Ų7272.2 Ų72.250%0.50337%0.372SS..Hα-helixtrans-67-24.8178.576.40000114.1N538 F539 I540 F544N538-S542 WeakPolarHBondContact O-CB 3.49Å; N538-S542 PolarHBondContact O-N 3.08Å; F539-S542 WeakPolarHBondContact O-CA 3.43Å; F539-S542 WeakPolarHBondContact O-CB 3.23Å; F539-S542 PolarHBondContact O-N 2.92Å; F539-S542 PolarHBondContact O-OG 3.09Å; I540-S542 VanDerWaalsContact C-N 3.28Å; I540-S542 PolarHBondContact O-N 3.23Å; S542-F544 PolarHBondContact O-N 3.08Å
543L94.1Very high82.5Confident14 Ų1481 Ų817%0.07341%0.41CS..Hα-helixtrans-71.4-15.5173.2-60.8-179.3000112.8I276 R360 Y364 F539 I540 R541 P545I276-L543 HydrophobicContact CD1-CD1 3.89Å; R360-L543 HydrophobicContact CB-CB 4.16Å; R360-L543 WeakPolarHBondContact CD-O 3.39Å; R360-L543 PolarHBondContact NH1-O 3.27Å; Y364-L543 HydrophobicContact CG-CD2 4.24Å; F539-L543 HydrophobicContact CE1-CD1 4.45Å; F539-L543 HydrophobicContact CE2-CD2 4.24Å; F539-L543 HydrophobicContact CZ-CD2 4.3Å; F539-L543 PolarHBondContact O-N 3.45Å; I540-L543 WeakPolarHBondContact O-CB 3.5Å; I540-L543 PolarHBondContact O-N 2.97Å; I540-L543 VanDerWaalsContact O-N 3.08Å; R541-L543 VanDerWaalsContact C-N 3.28Å; R541-L543 PolarHBondContact O-N 2.88Å; L543-P545 WeakPolarHBondContact O-CD 3.37Å
544F92.6Very high80.6Confident2 Ų280.8 Ų80.81%0.00943%0.425CS..  trans-121.165.2-179.2-63.9-98.4000112.1L357 R360 L524 I529 M532 Q533 I540 R541 S542 E546L357-F544 HydrophobicContact CD2-CE2 3.81Å; L357-F544 HydrophobicContact CD2-CZ 3.91Å; L357-F544 HydrophobicContact CG-CZ 4.26Å; R360-F544 VanDerWaalsContact CD-CE1 3.46Å; R360-F544 VanDerWaalsContact CD-CZ 3.43Å; R360-F544 VanDerWaalsContact CZ-CD1 3.44Å; L524-F544 HydrophobicContact CD2-CD1 4.24Å; L524-F544 HydrophobicContact CD2-CE1 3.8Å; I529-F544 HydrophobicContact CG1-CD1 4.43Å; I529-F544 HydrophobicContact CG2-CB 4.43Å; M532-F544 HydrophobicContact CB-CB 4.44Å; M532-F544 HydrophobicContact CB-CD1 4Å; M532-F544 HydrophobicContact CB-CD2 3.51Å; M532-F544 HydrophobicContact CB-CE1 4.08Å; M532-F544 HydrophobicContact CB-CE2 3.63Å; M532-F544 HydrophobicContact CB-CG 3.72Å; M532-F544 HydrophobicContact CB-CZ 3.92Å; M532-F544 HydrophobicContact CG-CD1 4.33Å; M532-F544 HydrophobicContact CG-CD2 4.12Å; M532-F544 HydrophobicContact CG-CE1 3.9Å; M532-F544 HydrophobicContact CG-CE2 3.69Å; M532-F544 HydrophobicContact CG-CG 4.43Å; M532-F544 HydrophobicContact CG-CZ 3.58Å; M532-F544 HydrophobicContact SD-CE2 4.38Å; M532-F544 HydrophobicContact SD-CZ 4.46Å; Q533-F544 HydrophobicContact CG-CB 4.14Å; Q533-F544 WeakPolarHBondContact CG-O 3.25Å; Q533-F544 PolarHBondContact NE2-O 3.23Å; I540-F544 WeakPolarHBondContact O-CD2 3.47Å; R541-F544 CarbonylContact O-C 3.6Å; R541-F544 PolarHBondContact O-N 3.36Å; R541-F544 VanDerWaalsContact O-N 3.11Å; S542-F544 PolarHBondContact O-N 3.08Å; F544-E546 PolarHBondContact O-N 3.16Å
545P87.6Confident78.9Confident97 Ų9787.5 Ų87.563%0.6345%0.445SS*.  trans-76.65.7-174.734.5-39.1000114.8L543 N547L543-P545 WeakPolarHBondContact O-CD 3.37Å; P545-N547 PolarHBondContact O-N 3.42Å
546E86Confident77.1Confident51 Ų5191.8 Ų91.824%0.23847%0.472CS..  trans-71112.7-174.1-68.7101.1134.200114.5R360 I529 Q533 F544 L548R360-E546 IonicContact CZ-OE1 3.86Å; R360-E546 IonicContact CZ-OE2 4Å; R360-E546 IonicContact NH1-OE1 2.66Å; R360-E546 PolarHBondContact NH1-OE1 2.82Å; R360-E546 IonicContact NH1-OE2 2.75Å; R360-E546 PolarHBondContact NH1-OE2 3.4Å; R360-E546 IonicContact NH2-OE1 2.63Å; R360-E546 PolarHBondContact NH2-OE1 2.98Å; R360-E546 IonicContact NH2-OE2 3.84Å; I529-E546 HydrophobicContact CD1-CB 4.45Å; I529-E546 HydrophobicContact CG2-CB 4.24Å; Q533-E546 PolarHBondContact NE2-O 3.19Å; F544-E546 PolarHBondContact O-N 3.16Å; E546-L548 PolarHBondContact O-N 2.91Å
547N79.2Confident75.9Confident123 Ų12389.2 Ų89.266%0.65847%0.467SS*.  trans-68.193169.3-76.7-52.3000112.1P545 N549 T550P545-N547 PolarHBondContact O-N 3.42Å; N547-N549 PolarHBondContact O-N 3.02Å; N547-T550 HydrophobicContact CB-CG2 4.39Å; N547-T550 PolarHBondContact O-N 2.71Å; N547-T550 PolarHBondContact O-OG1 3.19Å
548L73.8Confident75.1Confident71 Ų7187.3 Ų87.337%0.37246%0.46SS..THydrogen-bonded Turntrans-60.7-24.1178.6-59.5-176.9000113.5P526 I529 E530 E546 T550P526-L548 HydrophobicContact CB-CD1 4.38Å; P526-L548 HydrophobicContact CB-CD2 4.16Å; I529-L548 HydrophobicContact CB-CD1 4.41Å; I529-L548 HydrophobicContact CB-CD2 4.27Å; I529-L548 HydrophobicContact CD1-CD2 4.21Å; I529-L548 HydrophobicContact CG2-CD1 4.27Å; I529-L548 HydrophobicContact CG2-CD2 4Å; I529-L548 HydrophobicContact CG2-CG 4.29Å; E530-L548 HydrophobicContact CB-CD1 4.17Å; E546-L548 PolarHBondContact O-N 2.91Å; L548-T550 PolarHBondContact O-N 3.41Å; L548-T550 VanDerWaalsContact O-N 3.17Å
549N65.1Low74.4Confident167 Ų16782.2 Ų82.289%0.89343%0.434SS*.THydrogen-bonded Turntrans-743.2179.9-65.5-12.6000114.9N547N547-N549 PolarHBondContact O-N 3.02Å
550T58.6Low73.8Confident79 Ų7981.9 Ų81.949%0.48543%0.433SS..SBendtrans-100.2124.4178.952.70000111.8N547 L548 K552N547-T550 HydrophobicContact CB-CG2 4.39Å; N547-T550 PolarHBondContact O-N 2.71Å; N547-T550 PolarHBondContact O-OG1 3.19Å; L548-T550 PolarHBondContact O-N 3.41Å; L548-T550 VanDerWaalsContact O-N 3.17Å; T550-K552 VanDerWaalsContact C-N 3.32Å; T550-K552 PolarHBondContact O-N 3.01Å
551E47.7Very low73.2Confident146 Ų14683.8 Ų83.868%0.68245%0.446SS*.  trans-63.983.7176.6-76.5-157.1145.600112.3K553E551-K553 VanDerWaalsContact C-N 3.32Å; E551-K553 PolarHBondContact O-N 2.9Å; E551-K553 WeakPolarHBondContact OE2-CE 3.34Å; E551-K553 IonicContact OE2-NZ 3.51Å; E551-K553 PolarHBondContact OE2-NZ 3.42Å
552K51.3Low72.5Confident155 Ų15582.3 Ų82.367%0.67444%0.443SS*.  trans-7584.5171.6-71.9179.9-179.7173.60110.2T550 G554T550-K552 VanDerWaalsContact C-N 3.32Å; T550-K552 PolarHBondContact O-N 3.01Å; K552-G554 PolarHBondContact O-N 3.02Å
553K45.7Very low72Confident183 Ų18379.8 Ų79.880%0.79642%0.424SS*.  trans-69.459.5173.7-75170165142.80112.7E551E551-K553 VanDerWaalsContact C-N 3.32Å; E551-K553 PolarHBondContact O-N 2.9Å; E551-K553 WeakPolarHBondContact OE2-CE 3.34Å; E551-K553 IonicContact OE2-NZ 3.51Å; E551-K553 PolarHBondContact OE2-NZ 3.42Å
554G54.7Low71.6Confident61 Ų6180.9 Ų80.963%0.62943%0.428SS*.SBendtrans-149.7156178.700000112.7K552K552-G554 PolarHBondContact O-N 3.02Å
555R58.7Low71.3Confident180 Ų18086.8 Ų86.868%0.67945%0.45SS*.  trans-62144.4171.2-65.7-176-179.5-174.7-0.3109.6D463D463-R555 IonicContact OD1-CZ 3.59Å; D463-R555 IonicContact OD1-NH1 3Å; D463-R555 PolarHBondContact OD1-NH1 2.73Å; D463-R555 IonicContact OD1-NH2 3.45Å
556P58.7Low71.1Confident92 Ų9283.6 Ų83.660%0.59743%0.427SS*.  trans-54.8142.9169.2-24.734.5000111.6V523 T558V523-P556 HydrophobicContact CG2-CB 4.06Å; P556-T558 PolarHBondContact O-N 3.42Å
557T69.5Low71Confident100 Ų10081.3 Ų81.361%0.61342%0.417SS*.  trans-78.8112.617752.40000110.2
558T79.5Confident71.2Confident16 Ų1678.1 Ų78.110%0.09840%0.399CS..  trans-67.1162.5173.956.30000112.1D462 N520 P556 S561 K562D462-T558 VanDerWaalsContact OD1-CB 3.22Å; D462-T558 WeakPolarHBondContact OD1-CB 3.39Å; D462-T558 WeakPolarHBondContact OD1-CG2 3.26Å; D462-T558 PolarHBondContact OD1-OG1 3.15Å; D462-T558 PolarHBondContact OD2-OG1 3Å; N520-T558 CarbonylContact O-C 3.56Å; N520-T558 WeakPolarHBondContact O-CA 3.44Å; N520-T558 VanDerWaalsContact O-CB 3.26Å; N520-T558 WeakPolarHBondContact O-CB 3.3Å; P556-T558 PolarHBondContact O-N 3.42Å; T558-S561 PolarHBondContact O-N 2.97Å; T558-S561 VanDerWaalsContact OG1-CB 3.32Å; T558-S561 WeakPolarHBondContact OG1-CB 3.01Å; T558-S561 PolarHBondContact OG1-N 3.22Å; T558-S561 PolarHBondContact OG1-OG 3.17Å; T558-K562 PolarHBondContact O-N 3.26Å
559A79.2Confident71.8Confident9 Ų979.1 Ų79.17%0.07440%0.402CS..Hα-helixtrans-57.8-48.817200000111F398 N520 D522 S561 K562 I563F398-A559 HydrophobicContact CE1-CB 3.71Å; F398-A559 HydrophobicContact CZ-CB 3.77Å; N520-A559 PolarHBondContact O-N 3.23Å; D522-A559 HydrophobicContact CB-CB 4Å; A559-S561 VanDerWaalsContact C-N 3.25Å; A559-S561 PolarHBondContact O-N 3.06Å; A559-K562 PolarHBondContact O-N 2.92Å; A559-I563 HydrophobicContact CB-CD1 4.16Å; A559-I563 WeakPolarHBondContact O-CB 3.34Å; A559-I563 WeakPolarHBondContact O-CD1 3.46Å; A559-I563 WeakPolarHBondContact O-CG1 3.47Å; A559-I563 PolarHBondContact O-N 2.94Å
560S82.9Confident72.6Confident2 Ų271.5 Ų71.51%0.01436%0.361CS..Hα-helixtrans-56.5-40.7-179.988.80000111.9D462 N520 I563 K564D462-S560 VanDerWaalsContact CG-OG 3.24Å; D462-S560 PolarHBondContact OD1-OG 3.24Å; D462-S560 PolarHBondContact OD2-OG 3.42Å; N520-S560 WeakPolarHBondContact OD1-CB 3.38Å; N520-S560 PolarHBondContact OD1-N 3.19Å; S560-I563 PolarHBondContact O-N 3.45Å; S560-K564 VanDerWaalsContact O-CB 3.25Å; S560-K564 WeakPolarHBondContact O-CB 3.06Å; S560-K564 PolarHBondContact O-N 3.41Å
561S82.4Confident73.8Confident41 Ų4169 Ų6929%0.28735%0.346SS..Hα-helixtrans-69.2-36.1176.5-83.60000113.3D462 T558 A559 R565D462-S561 PolarHBondContact OD2-OG 2.94Å; T558-S561 PolarHBondContact O-N 2.97Å; T558-S561 VanDerWaalsContact OG1-CB 3.32Å; T558-S561 WeakPolarHBondContact OG1-CB 3.01Å; T558-S561 PolarHBondContact OG1-N 3.22Å; T558-S561 PolarHBondContact OG1-OG 3.17Å; A559-S561 VanDerWaalsContact C-N 3.25Å; A559-S561 PolarHBondContact O-N 3.06Å; S561-R565 WeakPolarHBondContact O-CB 3.42Å; S561-R565 PolarHBondContact O-N 3.47Å
562K81.7Confident75.5Confident67 Ų6765 Ų6529%0.29133%0.334SS..Hα-helixtrans-65.6-46.3171-174.4179.7179.1-179.50110.9T558 A559 R565 Q566T558-K562 PolarHBondContact O-N 3.26Å; A559-K562 PolarHBondContact O-N 2.92Å; K562-R565 PolarHBondContact O-N 3.33Å; K562-Q566 WeakPolarHBondContact O-CG 3.45Å; K562-Q566 PolarHBondContact O-N 2.99Å
563I83.6Confident77.1Confident20 Ų2059.4 Ų59.410%0.10331%0.313CS..Hα-helixtrans-63.5-48.9-177.2-67169000110.7L191 F398 C402 F405 A559 S560 R565 Q566 A567L191-I563 HydrophobicContact CD2-CB 3.85Å; L191-I563 HydrophobicContact CD2-CD1 4.49Å; L191-I563 HydrophobicContact CD2-CG1 3.53Å; L191-I563 HydrophobicContact CD2-CG2 3.7Å; F398-I563 HydrophobicContact CE1-CD1 4.31Å; F398-I563 HydrophobicContact CZ-CD1 4.25Å; C402-I563 HydrophobicContact CB-CD1 3.88Å; C402-I563 HydrophobicContact CB-CG2 4.14Å; C402-I563 WeakPolarHBondContact SG-CD1 3.28Å; F405-I563 HydrophobicContact CD1-CG2 4.48Å; A559-I563 HydrophobicContact CB-CD1 4.16Å; A559-I563 WeakPolarHBondContact O-CB 3.34Å; A559-I563 WeakPolarHBondContact O-CD1 3.46Å; A559-I563 WeakPolarHBondContact O-CG1 3.47Å; A559-I563 PolarHBondContact O-N 2.94Å; S560-I563 PolarHBondContact O-N 3.45Å; I563-R565 VanDerWaalsContact C-N 3.31Å; I563-R565 PolarHBondContact O-N 2.68Å; I563-Q566 PolarHBondContact O-N 2.64Å; I563-A567 WeakPolarHBondContact O-CB 3.43Å; I563-A567 PolarHBondContact O-N 2.94Å
564K85.5Confident78.9Confident37 Ų3750.8 Ų50.816%0.16128%0.276CS..Hα-helixtrans-60.4-38.4174.8176.6176.5169118.40112E449 M458 S560 N568E449-K564 HydrophobicContact CB-CD 4.19Å; E449-K564 VanDerWaalsContact CB-NZ 3.34Å; E449-K564 PolarHBondContact O-NZ 3.34Å; E449-K564 VanDerWaalsContact OE2-CE 3.3Å; E449-K564 WeakPolarHBondContact OE2-CE 3.42Å; E449-K564 IonicContact OE2-NZ 2.7Å; E449-K564 PolarHBondContact OE2-NZ 3.02Å; M458-K564 HydrophobicContact SD-CB 4.37Å; S560-K564 VanDerWaalsContact O-CB 3.25Å; S560-K564 WeakPolarHBondContact O-CB 3.06Å; S560-K564 PolarHBondContact O-N 3.41Å; K564-N568 PolarHBondContact O-N 2.91Å; K564-N568 PolarHBondContact O-ND2 3.36Å
565R85.9Confident80.2Confident125 Ų12551.9 Ų51.947%0.47227%0.265SS..Hα-helixtrans-64.7-54.4176.2-172.2179.967.3-123.42.6110.7S561 K562 I563 A567 N568 E569S561-R565 WeakPolarHBondContact O-CB 3.42Å; S561-R565 PolarHBondContact O-N 3.47Å; K562-R565 PolarHBondContact O-N 3.33Å; I563-R565 VanDerWaalsContact C-N 3.31Å; I563-R565 PolarHBondContact O-N 2.68Å; R565-A567 VanDerWaalsContact C-N 3.32Å; R565-A567 PolarHBondContact O-N 3.25Å; R565-N568 PolarHBondContact O-N 2.98Å; R565-N568 VanDerWaalsContact O-N 3.11Å; R565-E569 WeakPolarHBondContact CD-OE1 3.44Å; R565-E569 HydrophobicContact CG-CG 4.32Å; R565-E569 VanDerWaalsContact CG-OE1 3.24Å; R565-E569 WeakPolarHBondContact CG-OE1 3.31Å; R565-E569 IonicContact NE-OE1 3.57Å; R565-E569 WeakPolarHBondContact O-CG 3.32Å; R565-E569 PolarHBondContact O-N 3.05Å
566Q83.4Confident81.5Confident31 Ų3150.2 Ų50.215%0.14526%0.263CS..Hα-helixtrans-56.5-42.3179.3-76.2-172.3-50.400112.9F190 K562 I563 N568 E569 L570F190-Q566 HydrophobicContact CD1-CB 4.03Å; F190-Q566 HydrophobicContact CD1-CG 4.36Å; K562-Q566 WeakPolarHBondContact O-CG 3.45Å; K562-Q566 PolarHBondContact O-N 2.99Å; I563-Q566 PolarHBondContact O-N 2.64Å; Q566-N568 PolarHBondContact O-N 3.12Å; Q566-E569 WeakPolarHBondContact CA-OE2 3.34Å; Q566-E569 PolarHBondContact O-N 2.76Å; Q566-L570 WeakPolarHBondContact O-CB 3.28Å; Q566-L570 PolarHBondContact O-N 3.29Å
567A83.2Confident82.9Confident3 Ų346.5 Ų46.53%0.02524%0.239CC..Hα-helixtrans-62.1-40.8177.500000112.7F405 V406 I563 R565 V571F405-A567 HydrophobicContact CE1-CB 4.3Å; V406-A567 HydrophobicContact CG2-CB 3.94Å; I563-A567 WeakPolarHBondContact O-CB 3.43Å; I563-A567 PolarHBondContact O-N 2.94Å; R565-A567 VanDerWaalsContact C-N 3.32Å; R565-A567 PolarHBondContact O-N 3.25Å; A567-V571 WeakPolarHBondContact O-CG2 3.07Å; A567-V571 PolarHBondContact O-N 3.3Å
568N85.1Confident83.7Confident56 Ų5644.1 Ų44.130%0.29923%0.225SC..Hα-helixtrans-78.8-28.2179.3-70.5-62.9000112.6K409 E449 K564 R565 Q566 V571 S572K409-N568 PolarHBondContact NZ-OD1 3.35Å; E449-N568 PolarHBondContact OE2-ND2 3.32Å; K564-N568 PolarHBondContact O-N 2.91Å; K564-N568 PolarHBondContact O-ND2 3.36Å; R565-N568 PolarHBondContact O-N 2.98Å; R565-N568 VanDerWaalsContact O-N 3.11Å; Q566-N568 PolarHBondContact O-N 3.12Å; N568-V571 PolarHBondContact O-N 3.4Å; N568-S572 WeakPolarHBondContact O-CB 3.28Å; N568-S572 PolarHBondContact O-N 2.97Å
569E85.2Confident84.2Confident92 Ų9245.3 Ų45.343%0.4323%0.233SC..Hα-helixtrans-65.2-41168.9-73164.9166.600111.6R565 Q566 S572 T573R565-E569 WeakPolarHBondContact CD-OE1 3.44Å; R565-E569 HydrophobicContact CG-CG 4.32Å; R565-E569 VanDerWaalsContact CG-OE1 3.24Å; R565-E569 WeakPolarHBondContact CG-OE1 3.31Å; R565-E569 IonicContact NE-OE1 3.57Å; R565-E569 WeakPolarHBondContact O-CG 3.32Å; R565-E569 PolarHBondContact O-N 3.05Å; Q566-E569 WeakPolarHBondContact CA-OE2 3.34Å; Q566-E569 PolarHBondContact O-N 2.76Å; E569-S572 PolarHBondContact O-N 3.4Å; E569-T573 PolarHBondContact O-N 2.71Å; E569-T573 PolarHBondContact O-OG1 2.87Å
570L82.2Confident84.7Confident6 Ų645.9 Ų45.93%0.03123%0.234CC..Hα-helixtrans-62.9-48.2171.917660000111.4Y171 F190 L385 L410 Q566 S572 T573 L574Y171-L570 HydrophobicContact CG-CD1 4.46Å; F190-L570 HydrophobicContact CE1-CB 4.4Å; F190-L570 HydrophobicContact CE2-CD1 3.96Å; F190-L570 HydrophobicContact CE2-CD2 4.42Å; F190-L570 HydrophobicContact CZ-CB 4.14Å; F190-L570 HydrophobicContact CZ-CD1 4.15Å; L385-L570 HydrophobicContact CD1-CD1 4Å; L385-L570 HydrophobicContact CD1-CD2 4.18Å; L385-L570 HydrophobicContact CD2-CD1 4.49Å; L385-L570 HydrophobicContact CD2-CD2 4.35Å; L410-L570 HydrophobicContact CD2-CD2 4.4Å; Q566-L570 WeakPolarHBondContact O-CB 3.28Å; Q566-L570 PolarHBondContact O-N 3.29Å; L570-S572 VanDerWaalsContact C-N 3.31Å; L570-S572 PolarHBondContact O-N 2.92Å; L570-T573 PolarHBondContact O-N 3.02Å; L570-T573 VanDerWaalsContact O-N 3.09Å; L570-L574 HydrophobicContact CD1-CD1 4Å; L570-L574 HydrophobicContact CD1-CD2 4.49Å; L570-L574 HydrophobicContact CD1-CG 4.05Å; L570-L574 HydrophobicContact CG-CD1 3.98Å; L570-L574 HydrophobicContact CG-CG 4.46Å; L570-L574 WeakPolarHBondContact O-CG 3.29Å; L570-L574 PolarHBondContact O-N 2.92Å
571V82.9Confident85.1Confident27 Ų2746.4 Ų46.416%0.16424%0.235CC..Hα-helixtrans-53.6-48.7174.5172.60000110.9I413 A567 N568 T573 L574 M575I413-V571 HydrophobicContact CD1-CB 4.02Å; I413-V571 HydrophobicContact CD1-CG1 4Å; I413-V571 HydrophobicContact CD1-CG2 3.49Å; I413-V571 VanDerWaalsContact CD1-CG2 3.49Å; I413-V571 HydrophobicContact CG1-CG1 4.18Å; I413-V571 HydrophobicContact CG1-CG2 4.21Å; A567-V571 WeakPolarHBondContact O-CG2 3.07Å; A567-V571 PolarHBondContact O-N 3.3Å; N568-V571 PolarHBondContact O-N 3.4Å; V571-T573 VanDerWaalsContact C-N 3.25Å; V571-T573 PolarHBondContact O-N 3.09Å; V571-L574 PolarHBondContact O-N 3.14Å; V571-M575 HydrophobicContact CG1-CG 4.23Å; V571-M575 WeakPolarHBondContact O-CB 3.46Å; V571-M575 WeakPolarHBondContact O-CG 3.33Å; V571-M575 PolarHBondContact O-N 3.09Å
572S85.2Confident85.6Confident62 Ų6244.4 Ų44.443%0.43422%0.222SC..Hα-helixtrans-63.4-29.9180-174.10000113.1N568 E569 L570 K576N568-S572 WeakPolarHBondContact O-CB 3.28Å; N568-S572 PolarHBondContact O-N 2.97Å; E569-S572 PolarHBondContact O-N 3.4Å; L570-S572 VanDerWaalsContact C-N 3.31Å; L570-S572 PolarHBondContact O-N 2.92Å; S572-K576 WeakPolarHBondContact O-CD 3.49Å; S572-K576 VanDerWaalsContact O-CE 3.26Å; S572-K576 WeakPolarHBondContact O-CE 3.27Å; S572-K576 WeakPolarHBondContact O-CG 3.22Å
573T83.4Confident86.2Confident38 Ų3841.5 Ų41.523%0.23321%0.209CC..Hα-helixtrans-75.9-45.9176.4-57.50000111.6Y171 E569 L570 V571 M575 K576Y171-T573 HydrophobicContact CD1-CG2 4.44Å; Y171-T573 HydrophobicContact CE1-CG2 3.61Å; E569-T573 PolarHBondContact O-N 2.71Å; E569-T573 PolarHBondContact O-OG1 2.87Å; L570-T573 PolarHBondContact O-N 3.02Å; L570-T573 VanDerWaalsContact O-N 3.09Å; V571-T573 VanDerWaalsContact C-N 3.25Å; V571-T573 PolarHBondContact O-N 3.09Å; T573-M575 VanDerWaalsContact C-N 3.32Å; T573-M575 PolarHBondContact O-N 2.67Å; T573-K576 PolarHBondContact O-N 2.93Å
574L84.2Confident86.7Confident2 Ų240.6 Ų40.61%0.0120%0.204CC..Hα-helixtrans-61.9-39.2177.5-65.2169.1000112C105 I107 Y171 L385 L410 I413 L570 V571 K576 C577C105-L574 HydrophobicContact CB-CD2 4.22Å; I107-L574 HydrophobicContact CD1-CD1 4.11Å; I107-L574 HydrophobicContact CD1-CD2 4.22Å; I107-L574 HydrophobicContact CG1-CD1 4.49Å; I107-L574 HydrophobicContact CG1-CD2 4.13Å; Y171-L574 HydrophobicContact CE2-CD2 3.9Å; L385-L574 HydrophobicContact CD2-CD1 4.03Å; L385-L574 HydrophobicContact CD2-CD2 4.42Å; L410-L574 HydrophobicContact CD2-CD1 3.63Å; I413-L574 HydrophobicContact CD1-CD1 4.22Å; L570-L574 HydrophobicContact CD1-CD1 4Å; L570-L574 HydrophobicContact CD1-CD2 4.49Å; L570-L574 HydrophobicContact CD1-CG 4.05Å; L570-L574 HydrophobicContact CG-CD1 3.98Å; L570-L574 HydrophobicContact CG-CG 4.46Å; L570-L574 WeakPolarHBondContact O-CG 3.29Å; L570-L574 PolarHBondContact O-N 2.92Å; V571-L574 PolarHBondContact O-N 3.14Å; L574-K576 PolarHBondContact O-N 2.65Å; L574-K576 VanDerWaalsContact O-N 3.11Å; L574-C577 PolarHBondContact O-N 3.3Å; L574-C577 VanDerWaalsContact O-N 3.1Å
575M82.9Confident87.1Confident84 Ų8438.8 Ų38.841%0.41420%0.196SC..THydrogen-bonded Turntrans-64.5-9177.6-72.9-74.7-17100114.8I413 L417 V571 T573I413-M575 HydrophobicContact CG1-CE 4.49Å; I413-M575 HydrophobicContact CG2-CE 4.15Å; L417-M575 HydrophobicContact CD1-CE 4.37Å; L417-M575 HydrophobicContact CD1-SD 3.88Å; L417-M575 HydrophobicContact CD2-CE 4.28Å; L417-M575 HydrophobicContact CD2-SD 3.77Å; L417-M575 HydrophobicContact CG-CE 4.25Å; L417-M575 HydrophobicContact CG-SD 4.1Å; V571-M575 HydrophobicContact CG1-CG 4.23Å; V571-M575 WeakPolarHBondContact O-CB 3.46Å; V571-M575 WeakPolarHBondContact O-CG 3.33Å; V571-M575 PolarHBondContact O-N 3.09Å; T573-M575 VanDerWaalsContact C-N 3.32Å; T573-M575 PolarHBondContact O-N 2.67Å
576K85.2Confident87.4Confident144 Ų14432.9 Ų32.963%0.62617%0.174SC*.THydrogen-bonded Turntrans-93.6-0.7175-64.5164.6-170.7167.60113.3S572 T573 L574S572-K576 WeakPolarHBondContact O-CD 3.49Å; S572-K576 VanDerWaalsContact O-CE 3.26Å; S572-K576 WeakPolarHBondContact O-CE 3.27Å; S572-K576 WeakPolarHBondContact O-CG 3.22Å; T573-K576 PolarHBondContact O-N 2.93Å; L574-K576 PolarHBondContact O-N 2.65Å; L574-K576 VanDerWaalsContact O-N 3.11Å
577C87.2Confident87.9Confident15 Ų1531.4 Ų31.410%0.10117%0.167CC..SBendtrans-125.9150.2-173-53.70000110.5N103 C105 L574 P579N103-C577 HydrophobicContact CB-CB 4.27Å; N103-C577 CarbonylContact O-C 3.59Å; N103-C577 WeakPolarHBondContact O-CA 3.42Å; C105-C577 HydrophobicContact CB-CB 3.8Å; L574-C577 PolarHBondContact O-N 3.3Å; L574-C577 VanDerWaalsContact O-N 3.1Å; C577-P579 WeakPolarHBondContact O-CD 3.48Å
578T87.6Confident88.4Confident50 Ų5031.3 Ų31.331%0.30717%0.166SC..EExtended strand (participates in β ladder)trans-72.7117.9171.2-72.10000109.1E102 N103 Q104 C105 H580E102-T578 PolarHBondContact OE2-OG1 2.68Å; N103-T578 PolarHBondContact O-N 3.02Å; Q104-T578 WeakPolarHBondContact CA-O 3.29Å; C105-T578 PolarHBondContact N-O 3Å; T578-H580 PolarHBondContact O-CD2 3.12Å
579P88.8Confident88.4Confident41 Ų4131.4 Ų31.427%0.26617%0.165SC..EExtended strand (participates in β ladder)trans-92.8138.3-166.636.1-36.3000113.6C105 L417 C577 Y581C105-P579 CarbonylContact O-C 3.55Å; C105-P579 WeakPolarHBondContact O-CA 3.36Å; L417-P579 HydrophobicContact CD1-CG 4.06Å; C577-P579 WeakPolarHBondContact O-CD 3.48Å; P579-Y581 HydrophobicContact CB-CE2 4.02Å; P579-Y581 HydrophobicContact CG-CE2 4.16Å
580H90.9Very high88.4Confident21 Ų2130.4 Ų30.410%0.09717%0.165CC..EExtended strand (participates in β ladder)trans-118.8151.3173.5-59.4-105.2000108.7L89 M93 Q104 C105 V106 I107 T578L89-H580 HydrophobicContact CD2-CB 4.32Å; M93-H580 HydrophobicContact CG-CB 4.37Å; M93-H580 HydrophobicContact SD-CB 4.32Å; Q104-H580 PolarHBondContact OE1-NE2 3.41Å; C105-H580 PolarHBondContact O-N 2.89Å; V106-H580 WeakPolarHBondContact CA-O 3.31Å; V106-H580 HydrophobicContact CB-CB 4.29Å; V106-H580 HydrophobicContact CG2-CB 4.31Å; I107-H580 PolarHBondContact N-O 2.69Å; T578-H580 PolarHBondContact O-CD2 3.12Å
581Y90.6Very high88.6Confident12 Ų1234 Ų345%0.04718%0.18CC..EExtended strand (participates in β ladder)trans-131.9130.5-170.2-63.3-78.7000112.8L54 I107 F414 P579L54-Y581 PolarHBondContact N-O 3.01Å; I107-Y581 HydrophobicContact CB-CD1 3.88Å; I107-Y581 HydrophobicContact CB-CE1 4.04Å; I107-Y581 HydrophobicContact CD1-CD1 4.38Å; I107-Y581 HydrophobicContact CD1-CE1 3.65Å; I107-Y581 HydrophobicContact CG1-CE1 4.39Å; I107-Y581 HydrophobicContact CG2-CD1 4.25Å; I107-Y581 HydrophobicContact CG2-CE1 4.38Å; F414-Y581 HydrophobicContact CB-CE1 4.03Å; F414-Y581 AromaticContact CD2-CD1 3.63Å; F414-Y581 HydrophobicContact CD2-CD1 3.63Å; F414-Y581 AromaticContact CD2-CD2 3.93Å; F414-Y581 HydrophobicContact CD2-CD2 3.93Å; F414-Y581 AromaticContact CD2-CE1 3.62Å; F414-Y581 HydrophobicContact CD2-CE1 3.62Å; F414-Y581 AromaticContact CD2-CE2 3.92Å; F414-Y581 HydrophobicContact CD2-CE2 3.92Å; F414-Y581 AromaticContact CD2-CG 3.79Å; F414-Y581 HydrophobicContact CD2-CG 3.79Å; F414-Y581 AromaticContact CD2-CZ 3.77Å; F414-Y581 HydrophobicContact CE2-CD1 4.28Å; F414-Y581 HydrophobicContact CE2-CD2 4.11Å; F414-Y581 HydrophobicContact CE2-CE2 4.45Å; F414-Y581 HydrophobicContact CE2-CG 4.02Å; F414-Y581 HydrophobicContact CG-CE1 4.32Å; P579-Y581 HydrophobicContact CB-CE2 4.02Å; P579-Y581 HydrophobicContact CG-CE2 4.16Å
582I93.7Very high88.8Confident0 Ų039.5 Ų39.50%020%0.198CC..EExtended strand (participates in β ladder)trans-117.3126.3169.3-55.5-173.6000109.4L54 I86 L89 V106 I107 I108 S109 I123L54-I582 HydrophobicContact CB-CG1 4.32Å; L54-I582 HydrophobicContact CD2-CD1 4.21Å; L54-I582 HydrophobicContact CD2-CG1 4.42Å; L54-I582 CarbonylContact O-C 3.37Å; L54-I582 VanDerWaalsContact O-CA 3.31Å; L54-I582 WeakPolarHBondContact O-CA 3.38Å; I86-I582 HydrophobicContact CD1-CD1 3.78Å; I86-I582 HydrophobicContact CG1-CD1 3.99Å; L89-I582 HydrophobicContact CD1-CD1 4.32Å; L89-I582 HydrophobicContact CD1-CG1 3.95Å; L89-I582 HydrophobicContact CD2-CD1 4.42Å; V106-I582 HydrophobicContact CG2-CD1 4.09Å; V106-I582 HydrophobicContact CG2-CG1 3.9Å; I107-I582 PolarHBondContact O-N 2.89Å; I108-I582 HydrophobicContact CG1-CB 4.32Å; I108-I582 HydrophobicContact CG1-CD1 4.43Å; I108-I582 HydrophobicContact CG2-CB 4.24Å; I108-I582 HydrophobicContact CG2-CG2 4.34Å; S109-I582 PolarHBondContact N-O 3.4Å; S109-I582 PolarHBondContact OG-O 2.84Å; I123-I582 HydrophobicContact CD1-CD1 3.69Å
583R92.6Very high89.2Confident6 Ų639.5 Ų39.52%0.02320%0.197CC..EExtended strand (participates in β ladder)trans-109.4105.1175.3-53.5-51.9-160147.29.1109V53 L54 I55 S56 S109 Q411 L608 L610V53-R583 HydrophobicContact CG1-CG 3.89Å; L54-R583 PolarHBondContact O-N 2.82Å; I55-R583 WeakPolarHBondContact CA-O 3.49Å; I55-R583 HydrophobicContact CD1-CB 3.76Å; I55-R583 HydrophobicContact CD1-CG 4.16Å; S56-R583 PolarHBondContact N-O 2.92Å; S109-R583 WeakPolarHBondContact OG-CD 3.46Å; S109-R583 PolarHBondContact OG-NH1 3.44Å; Q411-R583 VanDerWaalsContact OE1-NH1 3.09Å; R583-L608 HydrophobicContact CB-CD1 4.32Å; R583-L610 HydrophobicContact CB-CD2 4.28Å; R583-L610 HydrophobicContact CG-CD2 4.07Å
584C94.3Very high89.6Confident0 Ų042 Ų420%021%0.205CC..EExtended strand (participates in β ladder)trans-86.5134.7-179.7-65.30000110.9S56 S109 G110 A114 K116S56-C584 CarbonylContact O-C 3.43Å; S56-C584 VanDerWaalsContact O-CA 3.27Å; S56-C584 WeakPolarHBondContact O-CA 3.12Å; S109-C584 WeakPolarHBondContact O-CB 3.27Å; S109-C584 PolarHBondContact O-N 2.81Å; G110-C584 WeakPolarHBondContact CA-O 3.41Å; A114-C584 HydrophobicContact CB-CB 3.74Å; A114-C584 WeakPolarHBondContact O-CB 3.22Å; K116-C584 HydrophobicContact CG-CB 3.94Å
585I94.4Very high90Very high0 Ų043.9 Ų43.90%022%0.215CC..EExtended strand (participates in β ladder)trans-121.4134-179.1-64.7176.7000109.6L37 I55 S56 V57 N58 V601 L608 L610L37-I585 HydrophobicContact CD1-CD1 3.78Å; I55-I585 HydrophobicContact CG2-CD1 3.63Å; I55-I585 HydrophobicContact CG2-CG1 4.3Å; S56-I585 PolarHBondContact O-N 2.73Å; V57-I585 CarbonylContact C-O 3.52Å; V57-I585 WeakPolarHBondContact CA-O 3.44Å; V57-I585 HydrophobicContact CG2-CB 4.4Å; N58-I585 PolarHBondContact N-O 2.95Å; I585-V601 HydrophobicContact CG2-CG1 3.99Å; I585-V601 HydrophobicContact CG2-CG2 4.27Å; I585-L608 HydrophobicContact CG1-CD1 3.95Å; I585-L610 HydrophobicContact CD1-CD1 4.11Å
586K92.6Very high90.6Very high1 Ų141.1 Ų41.10%0.00420%0.2CC..  trans-94.4115.5172.3-172.5-179176.1-173.10108.9F60 A114 R161 N588 E589 Q604F60-K586 HydrophobicContact CE2-CG 4.43Å; F60-K586 HydrophobicContact CZ-CG 3.95Å; A114-K586 HydrophobicContact CB-CB 4.2Å; R161-K586 PolarHBondContact O-NZ 2.7Å; K586-N588 VanDerWaalsContact CE-O 3.25Å; K586-N588 WeakPolarHBondContact CE-O 3.44Å; K586-N588 WeakPolarHBondContact CG-O 3.23Å; K586-E589 WeakPolarHBondContact CE-OE1 3.41Å; K586-E589 IonicContact NZ-OE1 2.97Å; K586-E589 PolarHBondContact NZ-OE1 3.28Å; K586-E589 IonicContact NZ-OE2 3.34Å; K586-E589 PolarHBondContact NZ-OE2 3.06Å; K586-Q604 PolarHBondContact O-NE2 2.77Å
587P94.8Very high91.1Very high0 Ų037.6 Ų37.60%019%0.185CC..  trans-77.7-20.1-172.328.9-34.5000114.6Y41 V57 N58 F60 W596 E597Y41-P587 HydrophobicContact CE1-CB 4.25Å; Y41-P587 HydrophobicContact CE1-CG 4.42Å; Y41-P587 HydrophobicContact CE2-CB 4.24Å; Y41-P587 HydrophobicContact CE2-CG 3.84Å; V57-P587 HydrophobicContact CG1-CB 3.87Å; V57-P587 HydrophobicContact CG1-CG 3.93Å; N58-P587 WeakPolarHBondContact O-CD 3.39Å; N58-P587 VanDerWaalsContact O-CG 3.25Å; N58-P587 WeakPolarHBondContact O-CG 3.19Å; F60-P587 HydrophobicContact CD2-CG 4.11Å; F60-P587 HydrophobicContact CE2-CG 3.9Å; P587-W596 HydrophobicContact CB-CE3 3.73Å; P587-W596 HydrophobicContact CB-CZ3 4.02Å; P587-W596 WeakPolarHBondContact O-CA 3.47Å; P587-E597 PolarHBondContact O-N 2.93Å
588N91.8Very high91.4Very high1 Ų141.7 Ų41.71%0.00520%0.203CC..  trans-158.1154.9-178.959.374.2000111F60 K586 T590 K591 R592 D595 E597F60-N588 WeakPolarHBondContact CE2-OD1 3.38Å; K586-N588 VanDerWaalsContact CE-O 3.25Å; K586-N588 WeakPolarHBondContact CE-O 3.44Å; K586-N588 WeakPolarHBondContact CG-O 3.23Å; N588-T590 PolarHBondContact OD1-N 3.37Å; N588-T590 PolarHBondContact OD1-OG1 2.78Å; N588-K591 WeakPolarHBondContact OD1-CA 3.5Å; N588-K591 PolarHBondContact OD1-N 3.34Å; N588-R592 PolarHBondContact ND2-O 3Å; N588-R592 PolarHBondContact OD1-N 3.09Å; N588-R592 VanDerWaalsContact OD1-N 3.16Å; N588-D595 HydrophobicContact CB-CB 4.32Å; N588-D595 PolarHBondContact ND2-O 2.86Å; N588-E597 HydrophobicContact CB-CB 4.46Å
589E85.6Confident91.6Very high58 Ų5843.4 Ų43.427%0.27122%0.217SC..SBendtrans-80.3-15.7168.5-73.7-61.2135.700113.9K586 K591 E597 R600K586-E589 WeakPolarHBondContact CE-OE1 3.41Å; K586-E589 IonicContact NZ-OE1 2.97Å; K586-E589 PolarHBondContact NZ-OE1 3.28Å; K586-E589 IonicContact NZ-OE2 3.34Å; K586-E589 PolarHBondContact NZ-OE2 3.06Å; E589-K591 PolarHBondContact O-N 2.95Å; E589-E597 PolarHBondContact N-OE2 3.34Å; E589-R600 IonicContact OE1-NE 2.69Å
590T86.1Confident91.5Very high71 Ų7143.9 Ų43.944%0.43621%0.214SC..SBendtrans-70.1-11.9-177.467.40000114.2N588 R592 D595N588-T590 PolarHBondContact OD1-N 3.37Å; N588-T590 PolarHBondContact OD1-OG1 2.78Å; T590-R592 PolarHBondContact O-N 3.07Å; T590-R592 PolarHBondContact OG1-NE 3.02Å; T590-D595 WeakPolarHBondContact CB-OD2 3.37Å; T590-D595 WeakPolarHBondContact CG2-OD2 3.32Å; T590-D595 PolarHBondContact OG1-OD2 3Å
591K85.3Confident91.6Very high80 Ų8042.9 Ų42.935%0.34821%0.209SC..  trans6226-176-54.3169.5-173.4167.70113.1F60 R161 N163 N588 E589F60-K591 HydrophobicContact CD1-CB 4.2Å; F60-K591 HydrophobicContact CE1-CB 4.03Å; F60-K591 HydrophobicContact CE1-CG 4.22Å; F60-K591 HydrophobicContact CZ-CB 4.46Å; R161-K591 WeakPolarHBondContact O-CE 3.24Å; N163-K591 PolarHBondContact OD1-NZ 3.31Å; N588-K591 WeakPolarHBondContact OD1-CA 3.5Å; N588-K591 PolarHBondContact OD1-N 3.34Å; E589-K591 PolarHBondContact O-N 2.95Å
592R88.6Confident91.7Very high143 Ų14344.8 Ų44.854%0.5422%0.217SC..  trans-103.4143.8-176.6-62.5-173.8-61.5-163.71.6112.8F60 N588 T590 D595F60-R592 WeakPolarHBondContact CD2-O 3.36Å; N588-R592 PolarHBondContact ND2-O 3Å; N588-R592 PolarHBondContact OD1-N 3.09Å; N588-R592 VanDerWaalsContact OD1-N 3.16Å; T590-R592 PolarHBondContact O-N 3.07Å; T590-R592 PolarHBondContact OG1-NE 3.02Å; R592-D595 HydrophobicContact CB-CB 3.96Å; R592-D595 IonicContact CZ-OD2 2.74Å; R592-D595 VanDerWaalsContact CZ-OD2 3.25Å; R592-D595 IonicContact NE-OD2 3.68Å; R592-D595 PolarHBondContact NE-OD2 3.48Å; R592-D595 IonicContact NH2-OD2 2.7Å; R592-D595 PolarHBondContact NH2-OD2 3Å
593P92.1Very high91.4Very high63 Ų6347.7 Ų47.741%0.40923%0.231SC..THydrogen-bonded Turntrans-72143.6171.830.6-35.1000111.5P59 K61 D595P59-P593 WeakPolarHBondContact O-CA 3.31Å; P59-P593 WeakPolarHBondContact O-CB 3.35Å; K61-P593 HydrophobicContact CB-CB 4.17Å; K61-P593 HydrophobicContact CD-CB 4.16Å; K61-P593 HydrophobicContact CG-CB 4.04Å; P593-D595 PolarHBondContact O-N 3.37Å
594K91.4Very high91.3Very high91 Ų9147.4 Ų47.440%0.39623%0.23SC..THydrogen-bonded Turntrans60.420.6-177.4-53.8-153.6178.4-152.10115.4Y41 M42 D44Y41-K594 PolarHBondContact OH-N 3.42Å; Y41-K594 VanDerWaalsContact OH-N 3.09Å; M42-K594 PolarHBondContact O-NZ 2.97Å; M42-K594 HydrophobicContact SD-CB 4.27Å; D44-K594 VanDerWaalsContact CG-CE 3.48Å; D44-K594 VanDerWaalsContact CG-NZ 3.28Å; D44-K594 WeakPolarHBondContact OD1-CE 3.18Å; D44-K594 IonicContact OD1-NZ 3.32Å; D44-K594 PolarHBondContact OD1-NZ 2.92Å; D44-K594 WeakPolarHBondContact OD2-CE 3.47Å; D44-K594 IonicContact OD2-NZ 3.47Å; D44-K594 PolarHBondContact OD2-NZ 3.11Å
595D93.7Very high91.1Very high41 Ų4147.4 Ų47.422%0.21923%0.23CC..  trans-101.9144.3169.9-167.4-0.7000109.4N588 T590 R592 P593N588-D595 HydrophobicContact CB-CB 4.32Å; N588-D595 PolarHBondContact ND2-O 2.86Å; T590-D595 WeakPolarHBondContact CB-OD2 3.37Å; T590-D595 WeakPolarHBondContact CG2-OD2 3.32Å; T590-D595 PolarHBondContact OG1-OD2 3Å; R592-D595 HydrophobicContact CB-CB 3.96Å; R592-D595 IonicContact CZ-OD2 2.74Å; R592-D595 VanDerWaalsContact CZ-OD2 3.25Å; R592-D595 IonicContact NE-OD2 3.68Å; R592-D595 PolarHBondContact NE-OD2 3.48Å; R592-D595 IonicContact NH2-OD2 2.7Å; R592-D595 PolarHBondContact NH2-OD2 3Å; P593-D595 PolarHBondContact O-N 3.37Å
596W95.4Very high90.6Very high26 Ų2651.6 Ų51.610%0.09825%0.249CC..  trans-148.5115.9-168.4-175.1-84000113.4V34 L37 K38 Y41 M42 V57 P587 V601V34-W596 HydrophobicContact CG1-CZ2 4.14Å; L37-W596 HydrophobicContact CB-CH2 3.83Å; L37-W596 HydrophobicContact CB-CZ2 4.49Å; K38-W596 HydrophobicContact CB-CD2 4.09Å; K38-W596 HydrophobicContact CB-CH2 4.07Å; K38-W596 HydrophobicContact CB-CZ2 3.55Å; K38-W596 HydrophobicContact CD-CG 4.28Å; K38-W596 HydrophobicContact CG-CD2 3.85Å; K38-W596 HydrophobicContact CG-CG 3.96Å; K38-W596 HydrophobicContact CG-CZ2 4.22Å; Y41-W596 AromaticContact CD1-CE3 3.58Å; Y41-W596 HydrophobicContact CD1-CE3 3.58Å; Y41-W596 HydrophobicContact CD1-CZ3 4Å; Y41-W596 HydrophobicContact CE1-CE3 4.14Å; Y41-W596 AromaticContact CG-CE3 3.99Å; Y41-W596 HydrophobicContact CG-CE3 3.99Å; Y41-W596 AromaticContact CG-CZ3 3.9Å; Y41-W596 HydrophobicContact CG-CZ3 3.9Å; M42-W596 HydrophobicContact CE-CB 3.79Å; V57-W596 HydrophobicContact CG1-CZ3 4.18Å; P587-W596 HydrophobicContact CB-CE3 3.73Å; P587-W596 HydrophobicContact CB-CZ3 4.02Å; P587-W596 WeakPolarHBondContact O-CA 3.47Å; W596-V601 HydrophobicContact CD2-CG2 4.33Å; W596-V601 HydrophobicContact CH2-CB 4.35Å; W596-V601 HydrophobicContact CH2-CG1 3.79Å; W596-V601 HydrophobicContact CH2-CG2 4.06Å; W596-V601 HydrophobicContact CZ2-CB 3.85Å; W596-V601 HydrophobicContact CZ2-CG1 3.57Å; W596-V601 HydrophobicContact CZ2-CG2 3.83Å; W596-V601 HydrophobicContact CZ3-CG2 4.39Å
597E95.6Very high89.9Confident69 Ų6952.1 Ų52.132%0.32225%0.251SS..  trans-103.895.4-177.9-168.3-176.3156.600110P587 N588 E589 S599 R600 V601P587-E597 PolarHBondContact O-N 2.93Å; N588-E597 HydrophobicContact CB-CB 4.46Å; E589-E597 PolarHBondContact N-OE2 3.34Å; E597-S599 PolarHBondContact O-N 3.21Å; E597-R600 HydrophobicContact CB-CB 3.93Å; E597-R600 HydrophobicContact CG-CB 3.69Å; E597-R600 WeakPolarHBondContact O-CB 3.39Å; E597-R600 PolarHBondContact O-N 3.01Å; E597-R600 VanDerWaalsContact O-N 3.1Å; E597-V601 PolarHBondContact O-N 2.82Å
598E93.9Very high89.4Confident101 Ų10152.1 Ų52.147%0.47225%0.252SS..Hα-helixtrans-65.5-38.3-163.7-161.1158.7122.400114.1V34 K38 V601 K602V34-E598 HydrophobicContact CG1-CG 3.65Å; K38-E598 WeakPolarHBondContact CE-OE2 3.36Å; K38-E598 IonicContact NZ-OE2 2.7Å; K38-E598 PolarHBondContact NZ-OE2 3.2Å; E598-V601 PolarHBondContact O-N 3.13Å; E598-K602 VanDerWaalsContact O-CB 3.31Å; E598-K602 WeakPolarHBondContact O-CB 3.18Å; E598-K602 PolarHBondContact O-N 3.12Å
599S90.6Very high88.8Confident87 Ų8752.7 Ų52.761%0.60826%0.258SS*.Hα-helixtrans-61.1-42.8172.148.20000112.2E597 K602 H603E597-S599 PolarHBondContact O-N 3.21Å; S599-K602 PolarHBondContact O-N 3.48Å; S599-H603 PolarHBondContact O-N 3.06Å
600R87.6Confident89Confident50 Ų5050 Ų5019%0.18925%0.245CC..Hα-helixtrans-68.6-38.7179.6-164.377.5-164.3136.68111.7E111 E589 E597 Q604E111-R600 IonicContact OE1-CZ 2.86Å; E111-R600 IonicContact OE1-NH2 2.73Å; E111-R600 PolarHBondContact OE1-NH2 2.85Å; E111-R600 IonicContact OE2-CZ 3.18Å; E111-R600 IonicContact OE2-NE 3.45Å; E111-R600 IonicContact OE2-NH2 3.81Å; E111-R600 PolarHBondContact OE2-NH2 3.28Å; E589-R600 IonicContact OE1-NE 2.69Å; E597-R600 HydrophobicContact CB-CB 3.93Å; E597-R600 HydrophobicContact CG-CB 3.69Å; E597-R600 WeakPolarHBondContact O-CB 3.39Å; E597-R600 PolarHBondContact O-N 3.01Å; E597-R600 VanDerWaalsContact O-N 3.1Å; R600-Q604 WeakPolarHBondContact O-CG 3.36Å; R600-Q604 PolarHBondContact O-N 2.73Å; R600-Q604 PolarHBondContact O-NE2 2.72Å
601V93.6Very high89Confident0 Ų050.1 Ų50.10%024%0.238CC..Hα-helixtrans-72.5-38.5174.4-179.70000111.3V34 I585 W596 E597 E598 H603 Q604 V605V34-V601 HydrophobicContact CG2-CG1 4.47Å; I585-V601 HydrophobicContact CG2-CG1 3.99Å; I585-V601 HydrophobicContact CG2-CG2 4.27Å; W596-V601 HydrophobicContact CD2-CG2 4.33Å; W596-V601 HydrophobicContact CH2-CB 4.35Å; W596-V601 HydrophobicContact CH2-CG1 3.79Å; W596-V601 HydrophobicContact CH2-CG2 4.06Å; W596-V601 HydrophobicContact CZ2-CB 3.85Å; W596-V601 HydrophobicContact CZ2-CG1 3.57Å; W596-V601 HydrophobicContact CZ2-CG2 3.83Å; W596-V601 HydrophobicContact CZ3-CG2 4.39Å; E597-V601 PolarHBondContact O-N 2.82Å; E598-V601 PolarHBondContact O-N 3.13Å; V601-H603 PolarHBondContact O-N 3.45Å; V601-Q604 WeakPolarHBondContact O-CB 3.4Å; V601-Q604 PolarHBondContact O-N 2.88Å; V601-Q604 VanDerWaalsContact O-N 3.13Å; V601-V605 HydrophobicContact CG1-CG2 4.32Å; V601-V605 WeakPolarHBondContact O-CG2 2.99Å; V601-V605 PolarHBondContact O-N 3.44Å
602K92.6Very high88.6Confident52 Ų5248.1 Ų48.123%0.22623%0.23CC..Hα-helixtrans-58.9-48174.6178.9160.2179.2156.10111.9E30 D31 V34 E598 S599 Q604 V605 E606E30-K602 HydrophobicContact CB-CD 4.23Å; E30-K602 HydrophobicContact CB-CG 4.17Å; E30-K602 WeakPolarHBondContact OE2-CE 3.45Å; E30-K602 IonicContact OE2-NZ 2.74Å; E30-K602 PolarHBondContact OE2-NZ 2.88Å; D31-K602 IonicContact OD1-NZ 3.83Å; D31-K602 PolarHBondContact OD1-NZ 3.36Å; D31-K602 IonicContact OD2-NZ 3.92Å; V34-K602 HydrophobicContact CG2-CB 4.01Å; E598-K602 VanDerWaalsContact O-CB 3.31Å; E598-K602 WeakPolarHBondContact O-CB 3.18Å; E598-K602 PolarHBondContact O-N 3.12Å; S599-K602 PolarHBondContact O-N 3.48Å; K602-Q604 PolarHBondContact O-N 3.25Å; K602-V605 WeakPolarHBondContact O-CB 3.41Å; K602-V605 PolarHBondContact O-N 2.88Å; K602-E606 WeakPolarHBondContact CE-OE1 3.39Å; K602-E606 VanDerWaalsContact CG-OE1 3.31Å; K602-E606 WeakPolarHBondContact CG-OE1 3.48Å; K602-E606 WeakPolarHBondContact O-CG 3.4Å; K602-E606 PolarHBondContact O-N 3.46Å
603H86.4Confident88.2Confident61 Ų6141.5 Ų41.528%0.28221%0.205SC..Hα-helixtrans-56.4-37.7174.2-172.6-92.4000112.6S599 V601 Y607S599-H603 PolarHBondContact O-N 3.06Å; V601-H603 PolarHBondContact O-N 3.45Å; H603-Y607 AromaticContact CE1-CD1 3.94Å; H603-Y607 AromaticContact ND1-CD1 3.66Å; H603-Y607 AromaticContact ND1-CE1 3.97Å; H603-Y607 WeakPolarHBondContact O-CD1 3.33Å; H603-Y607 PolarHBondContact O-N 3.49Å
604Q90.5Very high87.8Confident0 Ų038.5 Ų38.50%019%0.185CC..Hα-helixtrans-69.4-40.2174.4-72.3168.989.300112.9K586 R600 V601 K602 E606 Y607 L608K586-Q604 PolarHBondContact O-NE2 2.77Å; R600-Q604 WeakPolarHBondContact O-CG 3.36Å; R600-Q604 PolarHBondContact O-N 2.73Å; R600-Q604 PolarHBondContact O-NE2 2.72Å; V601-Q604 WeakPolarHBondContact O-CB 3.4Å; V601-Q604 PolarHBondContact O-N 2.88Å; V601-Q604 VanDerWaalsContact O-N 3.13Å; K602-Q604 PolarHBondContact O-N 3.25Å; Q604-E606 VanDerWaalsContact C-N 3.27Å; Q604-E606 PolarHBondContact O-N 3.36Å; Q604-Y607 HydrophobicContact CB-CE1 4.1Å; Q604-Y607 HydrophobicContact CG-CE1 3.65Å; Q604-L608 HydrophobicContact CB-CD1 4.39Å; Q604-L608 WeakPolarHBondContact O-CB 3.11Å; Q604-L608 WeakPolarHBondContact O-CD1 3.41Å; Q604-L608 WeakPolarHBondContact O-CG 3.3Å; Q604-L608 PolarHBondContact O-N 2.63Å
605V90.9Very high87.2Confident0 Ų038.9 Ų38.90%018%0.184CC..Hα-helixtrans-60.5-38.7174.6166.80000111.2E30 I33 V34 L37 V601 K602 L610E30-V605 HydrophobicContact CB-CG1 4.07Å; E30-V605 HydrophobicContact CG-CG1 4.4Å; I33-V605 HydrophobicContact CB-CG1 4.03Å; I33-V605 HydrophobicContact CD1-CG1 4.06Å; I33-V605 HydrophobicContact CG2-CG1 3.76Å; I33-V605 HydrophobicContact CG2-CG2 3.89Å; V34-V605 HydrophobicContact CG2-CB 4.33Å; V34-V605 HydrophobicContact CG2-CG2 3.85Å; L37-V605 HydrophobicContact CD1-CG2 4.18Å; V601-V605 HydrophobicContact CG1-CG2 4.32Å; V601-V605 WeakPolarHBondContact O-CG2 2.99Å; V601-V605 PolarHBondContact O-N 3.44Å; K602-V605 WeakPolarHBondContact O-CB 3.41Å; K602-V605 PolarHBondContact O-N 2.88Å; V605-L610 HydrophobicContact CG1-CB 4.38Å; V605-L610 HydrophobicContact CG2-CD1 4.25Å; V605-L610 PolarHBondContact O-N 3.44Å
606E84Confident86.2Confident88 Ų8837.2 Ų37.241%0.41118%0.176SC..Hα-helixtrans-64.7-63.4175.1-69.7166.5-17000111.6E30 K602 Q604 L608 G609E30-E606 HydrophobicContact CG-CG 3.82Å; K602-E606 WeakPolarHBondContact CE-OE1 3.39Å; K602-E606 VanDerWaalsContact CG-OE1 3.31Å; K602-E606 WeakPolarHBondContact CG-OE1 3.48Å; K602-E606 WeakPolarHBondContact O-CG 3.4Å; K602-E606 PolarHBondContact O-N 3.46Å; Q604-E606 VanDerWaalsContact C-N 3.27Å; Q604-E606 PolarHBondContact O-N 3.36Å; E606-L608 VanDerWaalsContact C-N 3.34Å; E606-L608 PolarHBondContact O-N 3.15Å; E606-G609 WeakPolarHBondContact O-CA 3.42Å; E606-G609 PolarHBondContact O-N 2.96Å
607Y77.3Confident85.2Confident12 Ų1238.6 Ų38.65%0.04718%0.181CC..Hα-helixtrans-70.1-27.5-173.278.5-111.7000114.4E111 Y505 A506 H603 Q604 G609E111-Y607 WeakPolarHBondContact CB-OH 3.1Å; E111-Y607 VanDerWaalsContact CG-OH 3.25Å; E111-Y607 WeakPolarHBondContact CG-OH 3.28Å; E111-Y607 PolarHBondContact N-OH 2.96Å; E111-Y607 VanDerWaalsContact OE1-CE1 3.3Å; E111-Y607 WeakPolarHBondContact OE1-CE1 3.44Å; E111-Y607 PolarHBondContact OE1-OH 2.87Å; Y505-Y607 WeakPolarHBondContact CD2-O 3.36Å; Y505-Y607 AromaticContact CE2-CD2 3.92Å; Y505-Y607 HydrophobicContact CE2-CD2 3.92Å; Y505-Y607 VanDerWaalsContact CE2-O 3.32Å; Y505-Y607 WeakPolarHBondContact CE2-O 3.18Å; A506-Y607 HydrophobicContact CB-CD1 4.18Å; A506-Y607 HydrophobicContact CB-CD2 3.97Å; A506-Y607 HydrophobicContact CB-CG 3.72Å; H603-Y607 AromaticContact CE1-CD1 3.94Å; H603-Y607 AromaticContact ND1-CD1 3.66Å; H603-Y607 AromaticContact ND1-CE1 3.97Å; H603-Y607 WeakPolarHBondContact O-CD1 3.33Å; H603-Y607 PolarHBondContact O-N 3.49Å; Q604-Y607 HydrophobicContact CB-CE1 4.1Å; Q604-Y607 HydrophobicContact CG-CE1 3.65Å; Y607-G609 PolarHBondContact O-N 3.18Å
608L83.9Confident84Confident1 Ų140.6 Ų40.61%0.00519%0.186CC..THydrogen-bonded Turntrans-70.1-9.5173.7-67.2168.9000111.8R583 I585 Q604 E606 L610R583-L608 HydrophobicContact CB-CD1 4.32Å; I585-L608 HydrophobicContact CG1-CD1 3.95Å; Q604-L608 HydrophobicContact CB-CD1 4.39Å; Q604-L608 WeakPolarHBondContact O-CB 3.11Å; Q604-L608 WeakPolarHBondContact O-CD1 3.41Å; Q604-L608 WeakPolarHBondContact O-CG 3.3Å; Q604-L608 PolarHBondContact O-N 2.63Å; E606-L608 VanDerWaalsContact C-N 3.34Å; E606-L608 PolarHBondContact O-N 3.15Å; L608-L610 VanDerWaalsContact C-N 3.32Å; L608-L610 HydrophobicContact CB-CD1 4.48Å; L608-L610 HydrophobicContact CB-CD2 3.68Å; L608-L610 HydrophobicContact CB-CG 3.81Å
609G80.4Confident82.6Confident13 Ų1338.2 Ų38.213%0.13418%0.183CC..THydrogen-bonded Turntrans6830.3179.100000112.6E606 Y607 R611 E612 N613E606-G609 WeakPolarHBondContact O-CA 3.42Å; E606-G609 PolarHBondContact O-N 2.96Å; Y607-G609 PolarHBondContact O-N 3.18Å; G609-R611 VanDerWaalsContact C-N 3.33Å; G609-R611 PolarHBondContact O-N 3.42Å; G609-E612 PolarHBondContact O-N 2.7Å; G609-N613 WeakPolarHBondContact O-CB 3.35Å; G609-N613 PolarHBondContact O-N 2.74Å
610L88Confident81.5Confident2 Ų234.3 Ų34.31%0.0116%0.157CC..Hα-helixtrans-68.2-35.8-171.5-56.2-170.1000111.6I50 I55 R583 I585 V605 L608 N613 I614I50-L610 HydrophobicContact CD1-CB 4Å; I50-L610 HydrophobicContact CD1-CD2 4.06Å; I50-L610 HydrophobicContact CD1-CG 4.46Å; I55-L610 HydrophobicContact CD1-CD1 4.01Å; I55-L610 HydrophobicContact CD1-CD2 3.78Å; R583-L610 HydrophobicContact CB-CD2 4.28Å; R583-L610 HydrophobicContact CG-CD2 4.07Å; I585-L610 HydrophobicContact CD1-CD1 4.11Å; V605-L610 HydrophobicContact CG1-CB 4.38Å; V605-L610 HydrophobicContact CG2-CD1 4.25Å; V605-L610 PolarHBondContact O-N 3.44Å; L608-L610 VanDerWaalsContact C-N 3.32Å; L608-L610 HydrophobicContact CB-CD1 4.48Å; L608-L610 HydrophobicContact CB-CD2 3.68Å; L608-L610 HydrophobicContact CB-CG 3.81Å; L610-N613 PolarHBondContact O-N 3.18Å; L610-I614 WeakPolarHBondContact O-CD1 3.49Å; L610-I614 VanDerWaalsContact O-CG1 3.28Å; L610-I614 WeakPolarHBondContact O-CG1 3.38Å; L610-I614 PolarHBondContact O-N 2.85Å
611R86.4Confident80.8Confident72 Ų7232.5 Ų32.527%0.27215%0.15SC..Hα-helixtrans-63.2-45.4175.8-173.3-17273.9178.7-1.8111.2I28 E30 I33 G609 I614 R615I28-R611 HydrophobicContact CG2-CG 4.12Å; E30-R611 WeakPolarHBondContact OE1-CD 3.46Å; E30-R611 IonicContact OE1-CZ 2.67Å; E30-R611 IonicContact OE1-NE 2.81Å; E30-R611 IonicContact OE1-NH1 2.75Å; E30-R611 PolarHBondContact OE1-NH1 2.88Å; I33-R611 HydrophobicContact CD1-CB 3.93Å; I33-R611 HydrophobicContact CD1-CG 4.39Å; G609-R611 VanDerWaalsContact C-N 3.33Å; G609-R611 PolarHBondContact O-N 3.42Å; R611-I614 PolarHBondContact O-N 2.99Å; R611-R615 WeakPolarHBondContact O-CG 3.36Å; R611-R615 PolarHBondContact O-N 2.8Å
612E77.7Confident79.5Confident39 Ų3935.2 Ų35.218%0.18217%0.173CC..Hα-helixtrans-65.6-41.2177.5-72.154.7-12500110.7G609 R615 V616G609-E612 PolarHBondContact O-N 2.7Å; E612-R615 WeakPolarHBondContact O-CB 3.31Å; E612-R615 PolarHBondContact O-N 3.07Å; E612-V616 PolarHBondContact O-N 3.3Å
613N80.3Confident78.6Confident3 Ų334.9 Ų34.92%0.01617%0.17CC..Hα-helixtrans-63.9-43.5176.3-161.8-107.8000112.1I50 F414 G609 L610 V616 R617I50-N613 HydrophobicContact CG2-CB 4.45Å; I50-N613 VanDerWaalsContact CG2-OD1 3.26Å; I50-N613 WeakPolarHBondContact CG2-OD1 3.35Å; F414-N613 VanDerWaalsContact CZ-ND2 3.34Å; F414-N613 WeakPolarHBondContact CZ-ND2 3.41Å; G609-N613 WeakPolarHBondContact O-CB 3.35Å; G609-N613 PolarHBondContact O-N 2.74Å; L610-N613 PolarHBondContact O-N 3.18Å; N613-V616 PolarHBondContact O-N 3.44Å; N613-R617 WeakPolarHBondContact O-CB 3.35Å; N613-R617 VanDerWaalsContact O-CG 3.31Å; N613-R617 WeakPolarHBondContact O-CG 3.39Å; N613-R617 PolarHBondContact O-N 2.95Å
614I82.7Confident78.2Confident0 Ų035.6 Ų35.60%017%0.17CC..Hα-helixtrans-61.5-43.4172.7-69.1159.8000110.9M22 I28 I33 I50 L610 R611 R617 R618M22-I614 HydrophobicContact CB-CD1 3.73Å; M22-I614 HydrophobicContact CB-CG1 4.22Å; I28-I614 HydrophobicContact CD1-CG2 4.19Å; I28-I614 HydrophobicContact CG1-CG2 4.22Å; I28-I614 HydrophobicContact CG2-CB 4.08Å; I28-I614 HydrophobicContact CG2-CG2 3.63Å; I33-I614 HydrophobicContact CD1-CD1 3.61Å; I33-I614 HydrophobicContact CG1-CD1 3.75Å; I50-I614 HydrophobicContact CB-CG1 4.4Å; I50-I614 HydrophobicContact CD1-CD1 4.16Å; I50-I614 HydrophobicContact CD1-CG1 3.95Å; I50-I614 HydrophobicContact CG1-CD1 4.36Å; I50-I614 HydrophobicContact CG1-CG1 3.99Å; I50-I614 HydrophobicContact CG2-CB 4.39Å; I50-I614 HydrophobicContact CG2-CG1 3.55Å; L610-I614 WeakPolarHBondContact O-CD1 3.49Å; L610-I614 VanDerWaalsContact O-CG1 3.28Å; L610-I614 WeakPolarHBondContact O-CG1 3.38Å; L610-I614 PolarHBondContact O-N 2.85Å; R611-I614 PolarHBondContact O-N 2.99Å; I614-R617 PolarHBondContact O-N 3.48Å; I614-R618 WeakPolarHBondContact O-CB 3.31Å; I614-R618 PolarHBondContact O-N 3.45Å
615R78.9Confident77.6Confident100 Ų10039.8 Ų39.838%0.37719%0.186SC..Hα-helixtrans-58.2-50.5177.2-75.4174.6-177.3-173.61.4111.7I28 I436 R611 E612 R618 A619I28-R615 HydrophobicContact CD1-CG 4.32Å; I28-R615 HydrophobicContact CG2-CG 3.91Å; I436-R615 HydrophobicContact CD1-CB 4.43Å; R611-R615 WeakPolarHBondContact O-CG 3.36Å; R611-R615 PolarHBondContact O-N 2.8Å; E612-R615 WeakPolarHBondContact O-CB 3.31Å; E612-R615 PolarHBondContact O-N 3.07Å; R615-R618 PolarHBondContact O-N 2.96Å; R615-A619 VanDerWaalsContact O-CB 3.32Å; R615-A619 WeakPolarHBondContact O-CB 3.34Å; R615-A619 PolarHBondContact O-N 2.87Å
616V73.3Confident77.3Confident6 Ų643 Ų434%0.03620%0.203CC..Hα-helixtrans-65.2-46.5179.7174.50000111.4L419 I436 E612 N613 R618 A619 G620L419-V616 HydrophobicContact CD2-CB 4Å; L419-V616 HydrophobicContact CD2-CG1 4.07Å; L419-V616 HydrophobicContact CD2-CG2 3.99Å; I436-V616 HydrophobicContact CB-CG2 4.03Å; I436-V616 HydrophobicContact CD1-CB 4.4Å; I436-V616 HydrophobicContact CD1-CG2 3.88Å; I436-V616 HydrophobicContact CG2-CG2 3.71Å; E612-V616 PolarHBondContact O-N 3.3Å; N613-V616 PolarHBondContact O-N 3.44Å; V616-R618 VanDerWaalsContact C-N 3.28Å; V616-R618 PolarHBondContact O-N 2.98Å; V616-A619 PolarHBondContact O-N 3.25Å; V616-G620 PolarHBondContact O-N 3.18Å
617R74.6Confident77.6Confident55 Ų5539.2 Ų39.221%0.20819%0.185CC..Hα-helixtrans-63.6-29.7179.1-71.5-64.2-178.1-152-7.9114.1V23 I50 E422 N613 I614V23-R617 HydrophobicContact CG2-CB 3.75Å; I50-R617 HydrophobicContact CG2-CG 4.4Å; E422-R617 IonicContact OE1-NH1 2.62Å; E422-R617 IonicContact OE2-CZ 3.02Å; E422-R617 IonicContact OE2-NH1 3.93Å; E422-R617 PolarHBondContact OE2-NH1 2.94Å; E422-R617 IonicContact OE2-NH2 3.12Å; N613-R617 WeakPolarHBondContact O-CB 3.35Å; N613-R617 VanDerWaalsContact O-CG 3.31Å; N613-R617 WeakPolarHBondContact O-CG 3.39Å; N613-R617 PolarHBondContact O-N 2.95Å; I614-R617 PolarHBondContact O-N 3.48Å
618R70.6Confident78Confident111 Ų11141.9 Ų41.942%0.41920%0.203SC..Hα-helixtrans-89-28.3179.7-166.1-177178174.75.3114.1V23 L25 I614 R615 V616V23-R618 HydrophobicContact CG1-CB 4.06Å; V23-R618 HydrophobicContact CG1-CG 4.27Å; V23-R618 WeakPolarHBondContact O-CD 3.2Å; L25-R618 VanDerWaalsContact O-CZ 3.27Å; L25-R618 PolarHBondContact O-NH1 2.89Å; L25-R618 PolarHBondContact O-NH2 2.91Å; I614-R618 WeakPolarHBondContact O-CB 3.31Å; I614-R618 PolarHBondContact O-N 3.45Å; R615-R618 PolarHBondContact O-N 2.96Å; V616-R618 VanDerWaalsContact C-N 3.28Å; V616-R618 PolarHBondContact O-N 2.98Å
619A64.7Low77.9Confident50 Ų5046 Ų4641%0.41322%0.221SC..Hα-helixtrans-81.3-24.917300000112.6I436 R615 V616I436-A619 HydrophobicContact CD1-CB 3.57Å; R615-A619 VanDerWaalsContact O-CB 3.32Å; R615-A619 WeakPolarHBondContact O-CB 3.34Å; R615-A619 PolarHBondContact O-N 2.87Å; V616-A619 PolarHBondContact O-N 3.25Å
620G67.2Low78.1Confident6 Ų645.4 Ų45.46%0.06222%0.215CC..SBendtrans-75.8-159.5169.300000113.4Y426 V616Y426-G620 VanDerWaalsContact OH-CA 3.31Å; Y426-G620 WeakPolarHBondContact OH-CA 3.09Å; V616-G620 PolarHBondContact O-N 3.18Å
621F73.9Confident78.2Confident12 Ų1246.1 Ų46.15%0.05322%0.218CC..  trans-121.6120-177.4-67.4-108.4000109.3Y426 I431 Y623 Q668 F675 V676 K677Y426-F621 AromaticContact CE1-CD2 3.87Å; Y426-F621 HydrophobicContact CE1-CD2 3.87Å; Y426-F621 PolarHBondContact OH-N 3.48Å; I431-F621 HydrophobicContact CG2-CD2 4.13Å; I431-F621 HydrophobicContact CG2-CE2 3.33Å; I431-F621 HydrophobicContact CG2-CZ 3.82Å; F621-Y623 PolarHBondContact O-N 2.94Å; F621-Q668 HydrophobicContact CE1-CB 3.64Å; F621-Q668 HydrophobicContact CZ-CB 3.77Å; F621-F675 HydrophobicContact CB-CB 3.87Å; F621-F675 HydrophobicContact CB-CD1 4.14Å; F621-F675 HydrophobicContact CD1-CB 3.55Å; F621-F675 HydrophobicContact CD2-CB 4.29Å; F621-F675 HydrophobicContact CE1-CB 4.1Å; F621-F675 HydrophobicContact CG-CB 3.66Å; F621-F675 HydrophobicContact CG-CD1 4.37Å; F621-F675 HydrophobicContact CG-CG 4.46Å; F621-V676 CarbonylContact C-O 3.42Å; F621-K677 HydrophobicContact CD1-CB 4.34Å; F621-K677 HydrophobicContact CD1-CG 3.44Å; F621-K677 VanDerWaalsContact CD1-CG 3.44Å; F621-K677 HydrophobicContact CE1-CD 4.33Å; F621-K677 HydrophobicContact CE1-CG 3.5Å; F621-K677 HydrophobicContact CG-CG 4.24Å; F621-K677 HydrophobicContact CZ-CG 4.31Å
622A65.3Low78.2Confident57 Ų5750.8 Ų50.847%0.47124%0.243SC..SBendtrans-60.6-20.6-172.900000114.7V676 K677 P679A622-V676 PolarHBondContact N-O 3.22Å; A622-K677 WeakPolarHBondContact CB-O 3.39Å; A622-K677 PolarHBondContact N-O 3.38Å; A622-K677 VanDerWaalsContact N-O 3.13Å; A622-P679 HydrophobicContact CB-CG 3.86Å
623Y73.3Confident78.4Confident44 Ų4453.9 Ų53.917%0.17325%0.253CS..EExtended strand (participates in β ladder)trans-137.4137.9174.3176.8-93.7000112.4F621 R625 F630 F675 V676 L682F621-Y623 PolarHBondContact O-N 2.94Å; Y623-R625 HydrophobicContact CE1-CB 3.94Å; Y623-F630 AromaticContact CE1-CD2 3.95Å; Y623-F630 HydrophobicContact CE1-CD2 3.95Å; Y623-F630 AromaticContact CE1-CE2 3.99Å; Y623-F630 HydrophobicContact CE1-CE2 3.99Å; Y623-F675 CarbonylContact O-C 3.59Å; Y623-F675 WeakPolarHBondContact O-CA 3.12Å; Y623-V676 HydrophobicContact CD1-CG2 4.31Å; Y623-V676 PolarHBondContact N-O 3.26Å; Y623-V676 PolarHBondContact O-N 3.02Å; Y623-L682 HydrophobicContact CD1-CD1 3.75Å; Y623-L682 HydrophobicContact CD2-CD1 3.96Å; Y623-L682 HydrophobicContact CD2-CD2 3.46Å; Y623-L682 VanDerWaalsContact CD2-CD2 3.46Å; Y623-L682 HydrophobicContact CD2-CG 4.35Å; Y623-L682 HydrophobicContact CE1-CD1 3.79Å; Y623-L682 HydrophobicContact CE2-CD1 3.99Å; Y623-L682 HydrophobicContact CE2-CD2 3.98Å; Y623-L682 HydrophobicContact CG-CD1 3.81Å; Y623-L682 HydrophobicContact CG-CD2 3.77Å; Y623-L682 HydrophobicContact CG-CG 4.35Å
624R79.3Confident78.8Confident76 Ų7653.7 Ų53.729%0.28725%0.252SS..EExtended strand (participates in β ladder)trans-142.9136.5175.661.8-169.6-174.8-152.313.8112.1E422 E425 V674 F675E422-R624 IonicContact OE1-NH1 3.7Å; E422-R624 IonicContact OE2-NH1 3.3Å; E425-R624 IonicContact OE1-NE 3.91Å; E425-R624 IonicContact OE2-CZ 3.18Å; E425-R624 IonicContact OE2-NE 2.76Å; E425-R624 PolarHBondContact OE2-NE 3.2Å; E425-R624 IonicContact OE2-NH1 3.16Å; E425-R624 IonicContact OE2-NH2 2.74Å; E425-R624 PolarHBondContact OE2-NH2 3.13Å; R624-V674 VanDerWaalsContact CA-O 3.29Å; R624-V674 WeakPolarHBondContact CA-O 3.31Å; R624-F675 HydrophobicContact CB-CD1 3.52Å; R624-F675 HydrophobicContact CB-CE1 3.66Å; R624-F675 HydrophobicContact CB-CG 4.22Å; R624-F675 HydrophobicContact CB-CZ 4.43Å; R624-F675 HydrophobicContact CG-CD1 4.46Å; R624-F675 HydrophobicContact CG-CE1 4.27Å
625R77.3Confident79.2Confident89 Ų8954 Ų5434%0.33625%0.254SS..EExtended strand (participates in β ladder)trans-154.2147.4177.5-153.276.4170.4166.3-0.5110.9D100 Y623 K629 K673 V674D100-R625 IonicContact OD1-NH2 3.46Å; D100-R625 PolarHBondContact OD1-NH2 2.83Å; D100-R625 IonicContact OD2-CZ 3.45Å; D100-R625 IonicContact OD2-NH1 3.5Å; D100-R625 IonicContact OD2-NH2 3.89Å; D100-R625 PolarHBondContact OD2-NH2 2.69Å; Y623-R625 HydrophobicContact CE1-CB 3.94Å; R625-K629 HydrophobicContact CG-CB 3.85Å; R625-K673 VanDerWaalsContact O-CA 3.3Å; R625-K673 WeakPolarHBondContact O-CA 3.41Å; R625-V674 PolarHBondContact N-O 3.03Å; R625-V674 VanDerWaalsContact N-O 3.12Å; R625-V674 PolarHBondContact O-N 2.93Å
626L83.4Confident79.7Confident67 Ų6749.8 Ų49.835%0.35124%0.239SC..EExtended strand (participates in β ladder)trans-55.4142.6171.9-71.1165.5000111T628 K629 F630 T672 K673L626-T628 VanDerWaalsContact C-N 3.33Å; L626-T628 PolarHBondContact O-N 2.91Å; L626-K629 HydrophobicContact CB-CB 4.43Å; L626-K629 PolarHBondContact O-N 3.26Å; L626-K629 VanDerWaalsContact O-N 3.15Å; L626-F630 WeakPolarHBondContact O-CB 3.45Å; L626-F630 PolarHBondContact O-N 3Å; L626-T672 WeakPolarHBondContact CA-O 3.2Å; L626-T672 WeakPolarHBondContact CD2-OG1 3.32Å; L626-K673 HydrophobicContact CD2-CG 3.85Å; L626-K673 HydrophobicContact CG-CG 4.28Å
627F91.3Very high80.5Confident8 Ų849.9 Ų49.94%0.03524%0.239CC..Hα-helixtrans-57.4-42.8-178.5-56.7-46.4000112.2F630 L631 E649 Q650 V653 M669 T672 K673 V674F627-F630 PolarHBondContact O-N 3.09Å; F627-L631 WeakPolarHBondContact O-CB 3.5Å; F627-L631 PolarHBondContact O-N 2.59Å; F627-E649 HydrophobicContact CB-CB 3.56Å; F627-E649 WeakPolarHBondContact CB-OE2 3.41Å; F627-E649 HydrophobicContact CD2-CB 4.43Å; F627-E649 HydrophobicContact CG-CB 4.39Å; F627-Q650 HydrophobicContact CD2-CB 4.15Å; F627-Q650 HydrophobicContact CE1-CG 4.33Å; F627-Q650 HydrophobicContact CE2-CB 3.85Å; F627-Q650 HydrophobicContact CE2-CG 3.91Å; F627-Q650 HydrophobicContact CZ-CB 4.16Å; F627-Q650 HydrophobicContact CZ-CG 3.75Å; F627-V653 HydrophobicContact CB-CG2 3.92Å; F627-V653 HydrophobicContact CD1-CB 4.32Å; F627-V653 HydrophobicContact CD1-CG1 4.49Å; F627-V653 HydrophobicContact CD1-CG2 3.91Å; F627-V653 HydrophobicContact CG-CG2 4.29Å; F627-M669 HydrophobicContact CD1-CE 4.17Å; F627-M669 HydrophobicContact CE1-CE 3.5Å; F627-M669 VanDerWaalsContact CE1-CE 3.5Å; F627-M669 HydrophobicContact CE1-SD 4.48Å; F627-M669 HydrophobicContact CZ-CE 4.07Å; F627-T672 VanDerWaalsContact CD2-O 3.27Å; F627-T672 WeakPolarHBondContact CD2-O 3.39Å; F627-T672 VanDerWaalsContact CE2-C 3.47Å; F627-T672 WeakPolarHBondContact CG-O 3.36Å; F627-T672 PolarHBondContact N-O 2.76Å; F627-K673 WeakPolarHBondContact CE1-O 3.48Å; F627-K673 WeakPolarHBondContact CZ-O 3.26Å; F627-V674 HydrophobicContact CD1-CB 4.07Å; F627-V674 HydrophobicContact CD1-CG1 4.47Å; F627-V674 HydrophobicContact CE1-CB 3.92Å; F627-V674 VanDerWaalsContact CE1-N 3.3Å
628T86.5Confident81.3Confident69 Ų6948 Ų4842%0.42323%0.234SC..Hα-helixtrans-47.7-62.3167.3460000113.7L626 F630 L631 H632 E649L626-T628 VanDerWaalsContact C-N 3.33Å; L626-T628 PolarHBondContact O-N 2.91Å; T628-F630 VanDerWaalsContact C-N 3.26Å; T628-F630 PolarHBondContact O-N 3.48Å; T628-L631 PolarHBondContact O-N 3.35Å; T628-H632 WeakPolarHBondContact O-CB 3.44Å; T628-H632 PolarHBondContact O-N 2.78Å; T628-E649 VanDerWaalsContact CG2-CD 3.44Å; T628-E649 WeakPolarHBondContact CG2-OE1 3.28Å; T628-E649 WeakPolarHBondContact CG2-OE2 3.29Å; T628-E649 PolarHBondContact N-OE2 2.99Å
629K80.8Confident82.1Confident88 Ų8846.7 Ų46.738%0.38325%0.247SC..Hα-helixtrans-62.7-32.1-177.1-75.3-164.7178-173.10111.4D100 R625 L626 R633D100-K629 IonicContact OD1-NZ 3.58Å; D100-K629 PolarHBondContact OD1-NZ 2.8Å; R625-K629 HydrophobicContact CG-CB 3.85Å; L626-K629 HydrophobicContact CB-CB 4.43Å; L626-K629 PolarHBondContact O-N 3.26Å; L626-K629 VanDerWaalsContact O-N 3.15Å; K629-R633 PolarHBondContact O-N 3.06Å
630F85.7Confident83.3Confident0 Ų049.2 Ų49.20%025%0.25CS..Hα-helixtrans-69.7-51.3174.6-169.5-81.7000111.8Y623 L626 F627 T628 H632 R633 Y634 V653 L656 L657 V674 L685Y623-F630 AromaticContact CE1-CD2 3.95Å; Y623-F630 HydrophobicContact CE1-CD2 3.95Å; Y623-F630 AromaticContact CE1-CE2 3.99Å; Y623-F630 HydrophobicContact CE1-CE2 3.99Å; L626-F630 WeakPolarHBondContact O-CB 3.45Å; L626-F630 PolarHBondContact O-N 3Å; F627-F630 PolarHBondContact O-N 3.09Å; T628-F630 VanDerWaalsContact C-N 3.26Å; T628-F630 PolarHBondContact O-N 3.48Å; F630-H632 VanDerWaalsContact C-N 3.35Å; F630-H632 PolarHBondContact O-N 3.39Å; F630-R633 PolarHBondContact O-N 3.13Å; F630-R633 VanDerWaalsContact O-N 3.13Å; F630-Y634 AromaticContact CD1-CD2 3.66Å; F630-Y634 HydrophobicContact CD1-CD2 3.66Å; F630-Y634 HydrophobicContact CD1-CE2 4.36Å; F630-Y634 AromaticContact CD2-CD2 3.8Å; F630-Y634 HydrophobicContact CD2-CD2 3.8Å; F630-Y634 AromaticContact CD2-CE2 3.64Å; F630-Y634 HydrophobicContact CD2-CE2 3.64Å; F630-Y634 AromaticContact CE1-CD2 3.56Å; F630-Y634 HydrophobicContact CE1-CD2 3.56Å; F630-Y634 HydrophobicContact CE1-CE2 4.23Å; F630-Y634 HydrophobicContact CE1-CG 4.29Å; F630-Y634 AromaticContact CE2-CD2 3.71Å; F630-Y634 HydrophobicContact CE2-CD2 3.71Å; F630-Y634 AromaticContact CE2-CE2 3.49Å; F630-Y634 HydrophobicContact CE2-CE2 3.49Å; F630-Y634 VanDerWaalsContact CE2-CE2 3.49Å; F630-Y634 AromaticContact CG-CD2 3.79Å; F630-Y634 HydrophobicContact CG-CD2 3.79Å; F630-Y634 HydrophobicContact CG-CE2 4.1Å; F630-Y634 AromaticContact CZ-CD2 3.6Å; F630-Y634 HydrophobicContact CZ-CD2 3.6Å; F630-Y634 AromaticContact CZ-CE2 3.81Å; F630-Y634 HydrophobicContact CZ-CE2 3.81Å; F630-Y634 HydrophobicContact CZ-CG 4.45Å; F630-Y634 VanDerWaalsContact O-CD2 3.27Å; F630-Y634 WeakPolarHBondContact O-CD2 3.23Å; F630-Y634 PolarHBondContact O-N 3.42Å; F630-V653 HydrophobicContact CB-CG2 4.29Å; F630-V653 HydrophobicContact CD1-CB 4.27Å; F630-V653 HydrophobicContact CD1-CG1 3.77Å; F630-V653 HydrophobicContact CD1-CG2 3.8Å; F630-V653 HydrophobicContact CE1-CG1 3.8Å; F630-V653 HydrophobicContact CG-CG1 4.36Å; F630-V653 HydrophobicContact CG-CG2 4.33Å; F630-V653 HydrophobicContact CZ-CG1 4.42Å; F630-L656 HydrophobicContact CD1-CD1 4.2Å; F630-L656 HydrophobicContact CE1-CB 4.34Å; F630-L656 HydrophobicContact CE1-CD1 4.08Å; F630-L657 HydrophobicContact CZ-CD2 3.92Å; F630-V674 HydrophobicContact CB-CG1 4.1Å; F630-V674 HydrophobicContact CD1-CG1 4.48Å; F630-V674 HydrophobicContact CD2-CG1 3.42Å; F630-V674 VanDerWaalsContact CD2-CG1 3.42Å; F630-V674 HydrophobicContact CE2-CG1 3.87Å; F630-V674 HydrophobicContact CG-CG1 3.76Å; F630-L685 HydrophobicContact CE2-CD1 4.2Å; F630-L685 HydrophobicContact CZ-CD1 3.76Å; F630-L685 HydrophobicContact CZ-CD2 4.45Å
631L90.2Very high84.4Confident16 Ų1649 Ų498%0.08425%0.248CC..Hα-helixtrans-56.3-48.2177.2-88.5165.7000111.4F627 T628 R633 Y634 A635 T641 W645 E649 V653 L656F627-L631 WeakPolarHBondContact O-CB 3.5Å; F627-L631 PolarHBondContact O-N 2.59Å; T628-L631 PolarHBondContact O-N 3.35Å; L631-R633 PolarHBondContact O-N 3.49Å; L631-Y634 PolarHBondContact O-N 2.99Å; L631-A635 WeakPolarHBondContact O-CA 3.31Å; L631-A635 WeakPolarHBondContact O-CB 3.37Å; L631-A635 PolarHBondContact O-N 3.22Å; L631-T641 HydrophobicContact CD2-CG2 4.3Å; L631-W645 HydrophobicContact CD1-CB 4.34Å; L631-W645 HydrophobicContact CD1-CG 4.37Å; L631-W645 HydrophobicContact CD2-CB 3.92Å; L631-W645 HydrophobicContact CD2-CG 4.19Å; L631-E649 HydrophobicContact CD1-CB 3.89Å; L631-E649 HydrophobicContact CD1-CG 4.34Å; L631-V653 HydrophobicContact CD1-CG2 4.29Å; L631-V653 HydrophobicContact CG-CG2 3.88Å; L631-L656 HydrophobicContact CD2-CD1 3.79Å
632H84.4Confident85.1Confident171 Ų17154.8 Ų54.879%0.79227%0.269SS*.Hα-helixtrans-59.4-35.3178.7-174-103.3000112.8T628 F630T628-H632 WeakPolarHBondContact O-CB 3.44Å; T628-H632 PolarHBondContact O-N 2.78Å; F630-H632 VanDerWaalsContact C-N 3.35Å; F630-H632 PolarHBondContact O-N 3.39Å
633R82.6Confident85.9Confident103 Ų10357 Ų5739%0.38928%0.279SS..Hα-helixtrans-73-44.9177.5-173.5169.9-179.492.25.1112.7K629 F630 L631 E686 R689K629-R633 PolarHBondContact O-N 3.06Å; F630-R633 PolarHBondContact O-N 3.13Å; F630-R633 VanDerWaalsContact O-N 3.13Å; L631-R633 PolarHBondContact O-N 3.49Å; R633-E686 IonicContact CZ-OE1 2.8Å; R633-E686 IonicContact CZ-OE2 3.86Å; R633-E686 IonicContact NE-OE1 2.65Å; R633-E686 PolarHBondContact NE-OE1 3.43Å; R633-E686 IonicContact NE-OE2 2.65Å; R633-E686 IonicContact NH2-OE1 3.59Å; R633-E686 PolarHBondContact NH2-OE1 3.34Å; R633-E686 IonicContact NH2-OE2 2.67Å; R633-E686 PolarHBondContact NH2-OE2 3.18Å; R633-R689 WeakPolarHBondContact O-CD 3.29Å; R633-R689 PolarHBondContact O-NE 2.82Å
634Y88.8Confident86.5Confident0 Ų058.2 Ų58.20%029%0.293CS..Hα-helixtrans-106-2.3-167.2-60.1-68.5000115.3F630 L631 I636 L637 L656 L682 L685 E686F630-Y634 AromaticContact CD1-CD2 3.66Å; F630-Y634 HydrophobicContact CD1-CD2 3.66Å; F630-Y634 HydrophobicContact CD1-CE2 4.36Å; F630-Y634 AromaticContact CD2-CD2 3.8Å; F630-Y634 HydrophobicContact CD2-CD2 3.8Å; F630-Y634 AromaticContact CD2-CE2 3.64Å; F630-Y634 HydrophobicContact CD2-CE2 3.64Å; F630-Y634 AromaticContact CE1-CD2 3.56Å; F630-Y634 HydrophobicContact CE1-CD2 3.56Å; F630-Y634 HydrophobicContact CE1-CE2 4.23Å; F630-Y634 HydrophobicContact CE1-CG 4.29Å; F630-Y634 AromaticContact CE2-CD2 3.71Å; F630-Y634 HydrophobicContact CE2-CD2 3.71Å; F630-Y634 AromaticContact CE2-CE2 3.49Å; F630-Y634 HydrophobicContact CE2-CE2 3.49Å; F630-Y634 VanDerWaalsContact CE2-CE2 3.49Å; F630-Y634 AromaticContact CG-CD2 3.79Å; F630-Y634 HydrophobicContact CG-CD2 3.79Å; F630-Y634 HydrophobicContact CG-CE2 4.1Å; F630-Y634 AromaticContact CZ-CD2 3.6Å; F630-Y634 HydrophobicContact CZ-CD2 3.6Å; F630-Y634 AromaticContact CZ-CE2 3.81Å; F630-Y634 HydrophobicContact CZ-CE2 3.81Å; F630-Y634 HydrophobicContact CZ-CG 4.45Å; F630-Y634 VanDerWaalsContact O-CD2 3.27Å; F630-Y634 WeakPolarHBondContact O-CD2 3.23Å; F630-Y634 PolarHBondContact O-N 3.42Å; L631-Y634 PolarHBondContact O-N 2.99Å; Y634-I636 PolarHBondContact O-N 2.98Å; Y634-L637 HydrophobicContact CD1-CD1 4.38Å; Y634-L637 VanDerWaalsContact O-CB 3.31Å; Y634-L637 WeakPolarHBondContact O-CB 3.21Å; Y634-L637 VanDerWaalsContact O-CG 3.27Å; Y634-L637 WeakPolarHBondContact O-CG 3.39Å; Y634-L637 PolarHBondContact O-N 3.18Å; Y634-L656 WeakPolarHBondContact O-CD2 3.32Å; Y634-L682 WeakPolarHBondContact OH-CD1 3.26Å; Y634-L685 HydrophobicContact CD1-CB 4.08Å; Y634-L685 HydrophobicContact CE1-CB 3.75Å; Y634-E686 HydrophobicContact CE1-CG 4.4Å; Y634-E686 PolarHBondContact OH-OE1 2.87Å
635A90.5Very high87Confident6 Ų657.9 Ų57.95%0.0529%0.292CS..G310 helixtrans-53.4-23.117700000114.6L631 L637 T641 W642L631-A635 WeakPolarHBondContact O-CA 3.31Å; L631-A635 WeakPolarHBondContact O-CB 3.37Å; L631-A635 PolarHBondContact O-N 3.22Å; A635-L637 PolarHBondContact O-N 3.29Å; A635-T641 WeakPolarHBondContact CB-O 3.33Å; A635-T641 PolarHBondContact O-OG1 3.33Å; A635-W642 HydrophobicContact CB-CE3 4.39Å; A635-W642 WeakPolarHBondContact O-CB 3.49Å; A635-W642 PolarHBondContact O-N 2.92Å
636I90.7Very high87.5Confident12 Ų1264.7 Ų64.76%0.06232%0.317CS..G310 helixtrans-67.5-12.9175.8-163.1168.9000113.7Y634 W642 R689 K692 F693 F696Y634-I636 PolarHBondContact O-N 2.98Å; I636-W642 HydrophobicContact CB-CE3 3.86Å; I636-W642 HydrophobicContact CB-CZ3 3.93Å; I636-W642 HydrophobicContact CG1-CE3 4.22Å; I636-W642 HydrophobicContact CG1-CZ3 4.24Å; I636-R689 HydrophobicContact CG2-CG 3.83Å; I636-K692 HydrophobicContact CG1-CB 4.23Å; I636-F693 HydrophobicContact CD1-CD1 3.64Å; I636-F693 HydrophobicContact CD1-CE1 3.38Å; I636-F693 HydrophobicContact CD1-CE2 4.45Å; I636-F693 HydrophobicContact CD1-CG 4.28Å; I636-F693 HydrophobicContact CD1-CZ 3.83Å; I636-F696 HydrophobicContact CD1-CD2 3.93Å; I636-F696 HydrophobicContact CD1-CE2 4.02Å; I636-F696 HydrophobicContact CG1-CD2 4.09Å; I636-F696 HydrophobicContact CG1-CE2 3.65Å
637L90.1Very high87.8Confident7 Ų763.2 Ų63.24%0.03732%0.318CS..G310 helixtrans-69.6-37.3179.7-67.3-179.9000112.9Y634 A635 L656 V660 L685 M688 R689 K692Y634-L637 HydrophobicContact CD1-CD1 4.38Å; Y634-L637 VanDerWaalsContact O-CB 3.31Å; Y634-L637 WeakPolarHBondContact O-CB 3.21Å; Y634-L637 VanDerWaalsContact O-CG 3.27Å; Y634-L637 WeakPolarHBondContact O-CG 3.39Å; Y634-L637 PolarHBondContact O-N 3.18Å; A635-L637 PolarHBondContact O-N 3.29Å; L637-L656 HydrophobicContact CB-CD2 3.96Å; L637-L656 HydrophobicContact CD1-CD2 4.32Å; L637-V660 HydrophobicContact CD1-CG1 4.02Å; L637-L685 HydrophobicContact CD1-CD2 3.82Å; L637-M688 VanDerWaalsContact CD2-C 3.47Å; L637-M688 HydrophobicContact CD2-CB 3.71Å; L637-R689 HydrophobicContact CD2-CB 4.05Å; L637-K692 HydrophobicContact CD2-CG 4.4Å; L637-K692 VanDerWaalsContact O-CE 3.23Å; L637-K692 WeakPolarHBondContact O-CE 3.28Å; L637-K692 PolarHBondContact O-NZ 2.88Å
638T90.6Very high87.9Confident15 Ų1566.6 Ų66.69%0.09234%0.341CS..  trans-129.9157.4-173.889.90000113.2E640 T641 W642 H655 L656 S659T638-E640 VanDerWaalsContact C-N 3.29Å; T638-E640 WeakPolarHBondContact CB-OE2 3.1Å; T638-E640 PolarHBondContact O-N 3.41Å; T638-E640 PolarHBondContact OG1-OE2 2.69Å; T638-T641 PolarHBondContact O-OG1 2.85Å; T638-T641 PolarHBondContact OG1-N 2.99Å; T638-T641 PolarHBondContact OG1-OG1 2.91Å; T638-W642 WeakPolarHBondContact O-CB 3.18Å; T638-W642 PolarHBondContact O-N 3.22Å; T638-W642 VanDerWaalsContact O-N 3.14Å; T638-H655 WeakPolarHBondContact CB-NE2 3.16Å; T638-H655 PolarHBondContact OG1-CD2 2.63Å; T638-H655 PolarHBondContact OG1-NE2 2.96Å; T638-L656 HydrophobicContact CG2-CD2 4.12Å; T638-S659 VanDerWaalsContact CG2-CB 3.49Å; T638-S659 WeakPolarHBondContact CG2-OG 3.46Å
639A88.1Confident88.2Confident85 Ų8567.3 Ų67.370%0.70234%0.34SS*.THydrogen-bonded Turntrans-76.2-18.2-177.100000113.2
640E89.8Confident88.8Confident103 Ų10367.4 Ų67.448%0.48134%0.342SS..THydrogen-bonded Turntrans-87.8-22.6-179.7-46.773.2-159.100112.1T638 W645 H655T638-E640 VanDerWaalsContact C-N 3.29Å; T638-E640 WeakPolarHBondContact CB-OE2 3.1Å; T638-E640 PolarHBondContact O-N 3.41Å; T638-E640 PolarHBondContact OG1-OE2 2.69Å; E640-W645 HydrophobicContact CB-CZ3 4.38Å; E640-H655 WeakPolarHBondContact CB-NE2 3.21Å; E640-H655 WeakPolarHBondContact CG-NE2 3.41Å; E640-H655 IonicContact OE1-NE2 3.23Å; E640-H655 IonicContact OE2-CE1 3.6Å; E640-H655 IonicContact OE2-NE2 3.48Å; E640-H655 PolarHBondContact OE2-NE2 3.18Å
641T90.6Very high89.1Confident0 Ų073 Ų730%037%0.368CS..THydrogen-bonded Turntrans-98.1-27.1176.950.50000112.5L631 A635 T638 P643 C644 W645 L656L631-T641 HydrophobicContact CD2-CG2 4.3Å; A635-T641 WeakPolarHBondContact CB-O 3.33Å; A635-T641 PolarHBondContact O-OG1 3.33Å; T638-T641 PolarHBondContact O-OG1 2.85Å; T638-T641 PolarHBondContact OG1-N 2.99Å; T638-T641 PolarHBondContact OG1-OG1 2.91Å; T641-P643 CarbonylContact O-C 3.15Å; T641-C644 CarbonylContact O-C 3.44Å; T641-C644 VanDerWaalsContact O-CA 3.32Å; T641-C644 WeakPolarHBondContact O-CA 3.08Å; T641-C644 PolarHBondContact O-N 2.86Å; T641-C644 VanDerWaalsContact O-N 3.13Å; T641-W645 HydrophobicContact CG2-CD2 4.29Å; T641-W645 HydrophobicContact CG2-CE3 3.6Å; T641-W645 HydrophobicContact CG2-CZ3 4.15Å; T641-W645 PolarHBondContact O-N 3.43Å; T641-L656 HydrophobicContact CG2-CD2 4.14Å; T641-L656 HydrophobicContact CG2-CG 4.13Å
642W87.2Confident89.3Confident134 Ų13472.2 Ų72.251%0.50836%0.364SS..SBendtrans-82.2138.4173.3-169.2-104.1000113A635 I636 T638A635-W642 HydrophobicContact CB-CE3 4.39Å; A635-W642 WeakPolarHBondContact O-CB 3.49Å; A635-W642 PolarHBondContact O-N 2.92Å; I636-W642 HydrophobicContact CB-CE3 3.86Å; I636-W642 HydrophobicContact CB-CZ3 3.93Å; I636-W642 HydrophobicContact CG1-CE3 4.22Å; I636-W642 HydrophobicContact CG1-CZ3 4.24Å; T638-W642 WeakPolarHBondContact O-CB 3.18Å; T638-W642 PolarHBondContact O-N 3.22Å; T638-W642 VanDerWaalsContact O-N 3.14Å
643P83.4Confident89.7Confident103 Ų10364.1 Ų64.167%0.66933%0.326SS*.SBendcis-82.9-13.1-7.635.1-36000113.3T641T641-P643 CarbonylContact O-C 3.15Å
644C84.6Confident90.2Very high70 Ų7061.1 Ų61.147%0.47332%0.318SS..  trans-149.8134.9174.256.90000111.5T641T641-C644 CarbonylContact O-C 3.44Å; T641-C644 VanDerWaalsContact O-CA 3.32Å; T641-C644 WeakPolarHBondContact O-CA 3.08Å; T641-C644 PolarHBondContact O-N 2.86Å; T641-C644 VanDerWaalsContact O-N 3.13Å
645W90.9Very high90.4Very high69 Ų6964.6 Ų64.626%0.26133%0.334SS..  trans-68.9146.2169.1-177.5-110.9000110.6L631 E640 T641 G647 P648 Q651L631-W645 HydrophobicContact CD1-CB 4.34Å; L631-W645 HydrophobicContact CD1-CG 4.37Å; L631-W645 HydrophobicContact CD2-CB 3.92Å; L631-W645 HydrophobicContact CD2-CG 4.19Å; E640-W645 HydrophobicContact CB-CZ3 4.38Å; T641-W645 HydrophobicContact CG2-CD2 4.29Å; T641-W645 HydrophobicContact CG2-CE3 3.6Å; T641-W645 HydrophobicContact CG2-CZ3 4.15Å; T641-W645 PolarHBondContact O-N 3.43Å; W645-G647 VanDerWaalsContact NE1-C 3.27Å; W645-G647 PolarHBondContact NE1-O 3.22Å; W645-G647 VanDerWaalsContact NE1-O 3.15Å; W645-P648 PolarHBondContact NE1-O 3.36Å; W645-Q651 HydrophobicContact CZ2-CB 4.17Å
646R87.1Confident90.5Very high232 Ų23264.3 Ų64.388%0.87533%0.331SS*.  trans-123.9-2.8-175.1-60-173.6-178.9-162.2-0.9114.8
647G90.2Very high90.6Very high36 Ų3663.8 Ų63.837%0.37133%0.329SS..SBendtrans-96-172.9173.500000112W645 E649W645-G647 VanDerWaalsContact NE1-C 3.27Å; W645-G647 PolarHBondContact NE1-O 3.22Å; W645-G647 VanDerWaalsContact NE1-O 3.15Å; G647-E649 PolarHBondContact O-N 3.49Å
648P92.8Very high90.6Very high79 Ų7971.7 Ų71.751%0.51336%0.358SS..  trans-55.2137.2170-23.434000111.4W645 Q650 Q651 G652W645-P648 PolarHBondContact NE1-O 3.36Å; P648-Q650 PolarHBondContact O-N 3.04Å; P648-Q651 HydrophobicContact CB-CG 4.23Å; P648-Q651 WeakPolarHBondContact O-CB 3.32Å; P648-Q651 PolarHBondContact O-N 3.19Å; P648-Q651 VanDerWaalsContact O-N 3.1Å; P648-G652 PolarHBondContact O-N 3Å
649E92.5Very high90.5Very high85 Ų8573 Ų7340%0.39737%0.368SS..Hα-helixtrans-61.2-43.3-170.6-57.3-178.8-170.500112.7F627 T628 L631 G647 Q651 G652 V653F627-E649 HydrophobicContact CB-CB 3.56Å; F627-E649 WeakPolarHBondContact CB-OE2 3.41Å; F627-E649 HydrophobicContact CD2-CB 4.43Å; F627-E649 HydrophobicContact CG-CB 4.39Å; T628-E649 VanDerWaalsContact CG2-CD 3.44Å; T628-E649 WeakPolarHBondContact CG2-OE1 3.28Å; T628-E649 WeakPolarHBondContact CG2-OE2 3.29Å; T628-E649 PolarHBondContact N-OE2 2.99Å; L631-E649 HydrophobicContact CD1-CB 3.89Å; L631-E649 HydrophobicContact CD1-CG 4.34Å; G647-E649 PolarHBondContact O-N 3.49Å; E649-Q651 PolarHBondContact O-N 3.43Å; E649-G652 PolarHBondContact O-N 2.87Å; E649-V653 PolarHBondContact O-N 2.78Å
650Q93.4Very high90.3Very high90 Ų9069.3 Ų69.342%0.42134%0.336SS..Hα-helixtrans-54.3-38.4176.8-165.7-171.547.900112F627 P648 L654 M669 G670F627-Q650 HydrophobicContact CD2-CB 4.15Å; F627-Q650 HydrophobicContact CE1-CG 4.33Å; F627-Q650 HydrophobicContact CE2-CB 3.85Å; F627-Q650 HydrophobicContact CE2-CG 3.91Å; F627-Q650 HydrophobicContact CZ-CB 4.16Å; F627-Q650 HydrophobicContact CZ-CG 3.75Å; P648-Q650 PolarHBondContact O-N 3.04Å; Q650-L654 VanDerWaalsContact O-CB 3.31Å; Q650-L654 WeakPolarHBondContact O-CB 3.47Å; Q650-L654 PolarHBondContact O-N 2.82Å; Q650-M669 HydrophobicContact CB-CE 4.47Å; Q650-M669 HydrophobicContact CG-CB 4.36Å; Q650-M669 HydrophobicContact CG-CE 3.6Å; Q650-M669 WeakPolarHBondContact O-CE 3.19Å; Q650-G670 PolarHBondContact NE2-O 2.87Å
651Q93.5Very high90.2Very high117 Ų11771 Ų7155%0.54735%0.349SS..Hα-helixtrans-71.7-37.4177.5-64-178.8-100112.1W645 P648 E649 L654 H655W645-Q651 HydrophobicContact CZ2-CB 4.17Å; P648-Q651 HydrophobicContact CB-CG 4.23Å; P648-Q651 WeakPolarHBondContact O-CB 3.32Å; P648-Q651 PolarHBondContact O-N 3.19Å; P648-Q651 VanDerWaalsContact O-N 3.1Å; E649-Q651 PolarHBondContact O-N 3.43Å; Q651-L654 PolarHBondContact O-N 3.1Å; Q651-H655 PolarHBondContact O-N 3.11Å
652G93.3Very high89.9Confident0 Ų071.7 Ų71.70%035%0.352CS..Hα-helixtrans-67.5-40.4177.100000112.4P648 E649 H655 L656P648-G652 PolarHBondContact O-N 3Å; E649-G652 PolarHBondContact O-N 2.87Å; G652-H655 WeakPolarHBondContact O-CB 3.24Å; G652-H655 PolarHBondContact O-N 3.41Å; G652-L656 WeakPolarHBondContact O-CG 3.18Å; G652-L656 PolarHBondContact O-N 3.4Å; G652-L656 VanDerWaalsContact O-N 3.08Å
653V93.6Very high89.9Confident0 Ų070.7 Ų70.70%036%0.357CS..Hα-helixtrans-62-45.2171.2175.50000110.6F627 F630 L631 E649 H655 L656 L657 M669 V674F627-V653 HydrophobicContact CB-CG2 3.92Å; F627-V653 HydrophobicContact CD1-CB 4.32Å; F627-V653 HydrophobicContact CD1-CG1 4.49Å; F627-V653 HydrophobicContact CD1-CG2 3.91Å; F627-V653 HydrophobicContact CG-CG2 4.29Å; F630-V653 HydrophobicContact CB-CG2 4.29Å; F630-V653 HydrophobicContact CD1-CB 4.27Å; F630-V653 HydrophobicContact CD1-CG1 3.77Å; F630-V653 HydrophobicContact CD1-CG2 3.8Å; F630-V653 HydrophobicContact CE1-CG1 3.8Å; F630-V653 HydrophobicContact CG-CG1 4.36Å; F630-V653 HydrophobicContact CG-CG2 4.33Å; F630-V653 HydrophobicContact CZ-CG1 4.42Å; L631-V653 HydrophobicContact CD1-CG2 4.29Å; L631-V653 HydrophobicContact CG-CG2 3.88Å; E649-V653 PolarHBondContact O-N 2.78Å; V653-H655 VanDerWaalsContact C-N 3.3Å; V653-H655 PolarHBondContact O-N 3.27Å; V653-L656 WeakPolarHBondContact O-CB 3.12Å; V653-L656 PolarHBondContact O-N 2.78Å; V653-L656 VanDerWaalsContact O-N 3.07Å; V653-L657 HydrophobicContact CG1-CD1 4.15Å; V653-L657 HydrophobicContact CG1-CG 4.33Å; V653-L657 WeakPolarHBondContact O-CG 3.38Å; V653-L657 PolarHBondContact O-N 2.84Å; V653-M669 HydrophobicContact CB-CE 3.99Å; V653-M669 HydrophobicContact CG1-CE 3.86Å; V653-V674 HydrophobicContact CG1-CB 3.87Å; V653-V674 HydrophobicContact CG1-CG1 3.96Å; V653-V674 HydrophobicContact CG1-CG2 3.94Å
654L93.3Very high89.9Confident40 Ų4071.3 Ų71.321%0.20936%0.359CS..Hα-helixtrans-67.4-29.2-179.6-156.8148.6000112.6Q650 Q651 R658 M669Q650-L654 VanDerWaalsContact O-CB 3.31Å; Q650-L654 WeakPolarHBondContact O-CB 3.47Å; Q650-L654 PolarHBondContact O-N 2.82Å; Q651-L654 PolarHBondContact O-N 3.1Å; L654-R658 HydrophobicContact CD2-CG 4.39Å; L654-R658 VanDerWaalsContact CD2-NE 3.33Å; L654-R658 WeakPolarHBondContact O-CB 3.34Å; L654-R658 VanDerWaalsContact O-CG 3.31Å; L654-R658 WeakPolarHBondContact O-CG 3.28Å; L654-R658 PolarHBondContact O-N 3.2Å; L654-R658 VanDerWaalsContact O-N 3.15Å; L654-M669 HydrophobicContact CB-CE 4.37Å; L654-M669 HydrophobicContact CD1-CG 4.14Å
655H93.3Very high90Very high74 Ų7472.1 Ų72.134%0.34336%0.358SS..Hα-helixtrans-63.5-46167-179.479.3000112T638 E640 Q651 G652 V653 R658 S659T638-H655 WeakPolarHBondContact CB-NE2 3.16Å; T638-H655 PolarHBondContact OG1-CD2 2.63Å; T638-H655 PolarHBondContact OG1-NE2 2.96Å; E640-H655 WeakPolarHBondContact CB-NE2 3.21Å; E640-H655 WeakPolarHBondContact CG-NE2 3.41Å; E640-H655 IonicContact OE1-NE2 3.23Å; E640-H655 IonicContact OE2-CE1 3.6Å; E640-H655 IonicContact OE2-NE2 3.48Å; E640-H655 PolarHBondContact OE2-NE2 3.18Å; Q651-H655 PolarHBondContact O-N 3.11Å; G652-H655 WeakPolarHBondContact O-CB 3.24Å; G652-H655 PolarHBondContact O-N 3.41Å; V653-H655 VanDerWaalsContact C-N 3.3Å; V653-H655 PolarHBondContact O-N 3.27Å; H655-R658 PolarHBondContact O-N 3.18Å; H655-S659 WeakPolarHBondContact O-CB 3.18Å; H655-S659 PolarHBondContact O-N 3.2Å
656L92.6Very high89.6Confident0 Ų070.4 Ų70.40%035%0.353CS..Hα-helixtrans-61.3-47177.4-70.6167.7000112.2F630 L631 Y634 L637 T638 T641 G652 V653 R658 S659 V660F630-L656 HydrophobicContact CD1-CD1 4.2Å; F630-L656 HydrophobicContact CE1-CB 4.34Å; F630-L656 HydrophobicContact CE1-CD1 4.08Å; L631-L656 HydrophobicContact CD2-CD1 3.79Å; Y634-L656 WeakPolarHBondContact O-CD2 3.32Å; L637-L656 HydrophobicContact CB-CD2 3.96Å; L637-L656 HydrophobicContact CD1-CD2 4.32Å; T638-L656 HydrophobicContact CG2-CD2 4.12Å; T641-L656 HydrophobicContact CG2-CD2 4.14Å; T641-L656 HydrophobicContact CG2-CG 4.13Å; G652-L656 WeakPolarHBondContact O-CG 3.18Å; G652-L656 PolarHBondContact O-N 3.4Å; G652-L656 VanDerWaalsContact O-N 3.08Å; V653-L656 WeakPolarHBondContact O-CB 3.12Å; V653-L656 PolarHBondContact O-N 2.78Å; V653-L656 VanDerWaalsContact O-N 3.07Å; L656-R658 VanDerWaalsContact C-N 3.33Å; L656-R658 PolarHBondContact O-N 2.65Å; L656-S659 WeakPolarHBondContact O-CB 3.24Å; L656-S659 PolarHBondContact O-N 3.04Å; L656-S659 VanDerWaalsContact O-N 3.09Å; L656-S659 PolarHBondContact O-OG 3.47Å; L656-V660 PolarHBondContact O-N 2.92Å
657L91.5Very high89.8Confident0 Ų060.6 Ų60.60%032%0.316CS..Hα-helixtrans-61.8-40.2178.5-62176.4000112F630 V653 V660 N661 M662 Y667 M669 V674 L685F630-L657 HydrophobicContact CZ-CD2 3.92Å; V653-L657 HydrophobicContact CG1-CD1 4.15Å; V653-L657 HydrophobicContact CG1-CG 4.33Å; V653-L657 WeakPolarHBondContact O-CG 3.38Å; V653-L657 PolarHBondContact O-N 2.84Å; L657-V660 VanDerWaalsContact O-CG2 3.31Å; L657-V660 WeakPolarHBondContact O-CG2 3.42Å; L657-V660 PolarHBondContact O-N 3.28Å; L657-N661 PolarHBondContact O-N 3.13Å; L657-M662 HydrophobicContact CD2-CE 3.72Å; L657-M662 HydrophobicContact CD2-SD 3.85Å; L657-M662 PolarHBondContact O-N 2.62Å; L657-Y667 HydrophobicContact CB-CE1 4.34Å; L657-Y667 HydrophobicContact CD1-CD1 4.05Å; L657-Y667 HydrophobicContact CD1-CD2 3.49Å; L657-Y667 VanDerWaalsContact CD1-CD2 3.49Å; L657-Y667 HydrophobicContact CD1-CE1 4.16Å; L657-Y667 HydrophobicContact CD1-CE2 3.63Å; L657-Y667 HydrophobicContact CD1-CG 3.72Å; L657-M669 HydrophobicContact CD1-SD 4.23Å; L657-V674 HydrophobicContact CD1-CG2 4.06Å; L657-L685 HydrophobicContact CD2-CD1 4.15Å
658R90.2Very high89.8Confident173 Ų17360.9 Ų60.965%0.65331%0.308SS*.Hα-helixtrans-64.9-38.3171.8-75174.9174.2169.6-0.3112.6L654 H655 L656 V660 N661L654-R658 HydrophobicContact CD2-CG 4.39Å; L654-R658 VanDerWaalsContact CD2-NE 3.33Å; L654-R658 WeakPolarHBondContact O-CB 3.34Å; L654-R658 VanDerWaalsContact O-CG 3.31Å; L654-R658 WeakPolarHBondContact O-CG 3.28Å; L654-R658 PolarHBondContact O-N 3.2Å; L654-R658 VanDerWaalsContact O-N 3.15Å; H655-R658 PolarHBondContact O-N 3.18Å; L656-R658 VanDerWaalsContact C-N 3.33Å; L656-R658 PolarHBondContact O-N 2.65Å; R658-V660 PolarHBondContact O-N 3.24Å; R658-N661 PolarHBondContact O-N 3.01Å
659S88Confident89.7Confident43 Ų4358.6 Ų58.630%0.30129%0.291SS..Hα-helixtrans-65.4-20-178.579.40000114.4T638 H655 L656T638-S659 VanDerWaalsContact CG2-CB 3.49Å; T638-S659 WeakPolarHBondContact CG2-OG 3.46Å; H655-S659 WeakPolarHBondContact O-CB 3.18Å; H655-S659 PolarHBondContact O-N 3.2Å; L656-S659 WeakPolarHBondContact O-CB 3.24Å; L656-S659 PolarHBondContact O-N 3.04Å; L656-S659 VanDerWaalsContact O-N 3.09Å; L656-S659 PolarHBondContact O-OG 3.47Å
660V85.4Confident89.7Confident7 Ų754.9 Ų54.94%0.04228%0.275CS..THydrogen-bonded Turntrans-99.71.7173.1-53.20000113.4L637 L656 L657 R658 M662 L684 L685 M688L637-V660 HydrophobicContact CD1-CG1 4.02Å; L656-V660 PolarHBondContact O-N 2.92Å; L657-V660 VanDerWaalsContact O-CG2 3.31Å; L657-V660 WeakPolarHBondContact O-CG2 3.42Å; L657-V660 PolarHBondContact O-N 3.28Å; R658-V660 PolarHBondContact O-N 3.24Å; V660-M662 HydrophobicContact CG2-CB 4.1Å; V660-M662 HydrophobicContact CG2-CE 4.41Å; V660-L684 HydrophobicContact CB-CD2 4.32Å; V660-L684 HydrophobicContact CB-CG 4.35Å; V660-L684 HydrophobicContact CG2-CD2 4.41Å; V660-L684 WeakPolarHBondContact O-CD2 3.45Å; V660-L685 HydrophobicContact CB-CD2 4.49Å; V660-L685 HydrophobicContact CG1-CD2 3.81Å; V660-L685 HydrophobicContact CG2-CD2 3.87Å; V660-L685 HydrophobicContact CG2-CG 4.3Å; V660-M688 HydrophobicContact CB-CE 4.35Å; V660-M688 HydrophobicContact CB-SD 3.76Å; V660-M688 HydrophobicContact CG1-CE 3.79Å; V660-M688 HydrophobicContact CG1-SD 3.55Å; V660-M688 VanDerWaalsContact CG1-SD 3.55Å
661N86.3Confident89.6Confident139 Ų13959 Ų5974%0.74329%0.287SS*.THydrogen-bonded Turntrans55.446.9-171.6-50.4-67.6000113.4L657 R658L657-N661 PolarHBondContact O-N 3.13Å; R658-N661 PolarHBondContact O-N 3.01Å
662M85.8Confident89.4Confident15 Ų1556.6 Ų56.67%0.07428%0.28CS..  trans-75.7125.6171-170.7176.8-57.300110.6L657 V660 Q666 Y667 V676 S681 L685L657-M662 HydrophobicContact CD2-CE 3.72Å; L657-M662 HydrophobicContact CD2-SD 3.85Å; L657-M662 PolarHBondContact O-N 2.62Å; V660-M662 HydrophobicContact CG2-CB 4.1Å; V660-M662 HydrophobicContact CG2-CE 4.41Å; M662-Q666 HydrophobicContact CG-CB 4.04Å; M662-Q666 HydrophobicContact SD-CB 4.45Å; M662-Y667 HydrophobicContact CG-CD1 4.06Å; M662-Y667 HydrophobicContact SD-CD1 3.95Å; M662-Y667 HydrophobicContact SD-CG 4.42Å; M662-V676 HydrophobicContact SD-CG1 4.14Å; M662-V676 HydrophobicContact SD-CG2 4.46Å; M662-S681 WeakPolarHBondContact CE-O 3.49Å; M662-L685 HydrophobicContact CE-CD1 3.7Å; M662-L685 HydrophobicContact CE-CG 4.15Å
663D86.1Confident89.3Confident112 Ų11258.8 Ų58.860%0.59929%0.29SS*.  trans-63.7146.4178.8-63.1-61.4000112.3D665 Q666 Y667D663-D665 VanDerWaalsContact C-N 3.27Å; D663-D665 WeakPolarHBondContact CB-OD1 3.47Å; D663-D665 PolarHBondContact O-N 2.58Å; D663-Q666 HydrophobicContact CB-CG 3.99Å; D663-Q666 WeakPolarHBondContact O-CB 3.26Å; D663-Q666 PolarHBondContact O-N 3.38Å; D663-Q666 VanDerWaalsContact O-N 3.09Å; D663-Y667 WeakPolarHBondContact O-CD1 3.47Å
664T84.8Confident89.1Confident116 Ų11658.8 Ų58.871%0.71229%0.29SS*.THydrogen-bonded Turntrans-75.5-10.2-168.750.10000114.8Y667T664-Y667 HydrophobicContact CG2-CE1 4.37Å
665D85.3Confident88.8Confident87 Ų8756.9 Ų56.947%0.46528%0.28SS..THydrogen-bonded Turntrans-84.5-21.4170.271.6-57.2000112.2D663 Y667 K677D663-D665 VanDerWaalsContact C-N 3.27Å; D663-D665 WeakPolarHBondContact CB-OD1 3.47Å; D663-D665 PolarHBondContact O-N 2.58Å; D665-Y667 VanDerWaalsContact C-N 3.31Å; D665-Y667 PolarHBondContact O-N 2.89Å; D665-K677 VanDerWaalsContact O-CD 3.29Å; D665-K677 WeakPolarHBondContact O-CD 3.26Å; D665-K677 WeakPolarHBondContact O-CE 3.45Å; D665-K677 PolarHBondContact O-NZ 2.75Å
666Q83.8Confident88.3Confident33 Ų3353.4 Ų53.415%0.15426%0.264CS..SBendtrans-77.7-12.7-176.4-59.1-65.8-67.200113.3M662 D663 V676 K677 N678 S681M662-Q666 HydrophobicContact CG-CB 4.04Å; M662-Q666 HydrophobicContact SD-CB 4.45Å; D663-Q666 HydrophobicContact CB-CG 3.99Å; D663-Q666 WeakPolarHBondContact O-CB 3.26Å; D663-Q666 PolarHBondContact O-N 3.38Å; D663-Q666 VanDerWaalsContact O-N 3.09Å; Q666-V676 CarbonylContact O-C 3.59Å; Q666-V676 WeakPolarHBondContact O-CA 3.35Å; Q666-K677 PolarHBondContact O-N 3Å; Q666-N678 PolarHBondContact OE1-ND2 2.74Å; Q666-S681 PolarHBondContact OE1-OG 2.92Å
667Y89.3Confident87.6Confident26 Ų2657.6 Ų57.610%0.10228%0.282CS..EExtended strand (participates in β ladder)trans-139.5158.7179.472.8-91.2000112.9L657 M662 D663 T664 D665 M669 F675L657-Y667 HydrophobicContact CB-CE1 4.34Å; L657-Y667 HydrophobicContact CD1-CD1 4.05Å; L657-Y667 HydrophobicContact CD1-CD2 3.49Å; L657-Y667 VanDerWaalsContact CD1-CD2 3.49Å; L657-Y667 HydrophobicContact CD1-CE1 4.16Å; L657-Y667 HydrophobicContact CD1-CE2 3.63Å; L657-Y667 HydrophobicContact CD1-CG 3.72Å; M662-Y667 HydrophobicContact CG-CD1 4.06Å; M662-Y667 HydrophobicContact SD-CD1 3.95Å; M662-Y667 HydrophobicContact SD-CG 4.42Å; D663-Y667 WeakPolarHBondContact O-CD1 3.47Å; T664-Y667 HydrophobicContact CG2-CE1 4.37Å; D665-Y667 VanDerWaalsContact C-N 3.31Å; D665-Y667 PolarHBondContact O-N 2.89Å; Y667-M669 HydrophobicContact CD2-CG 4.44Å; Y667-M669 HydrophobicContact CD2-SD 3.92Å; Y667-M669 HydrophobicContact CE2-CG 4.23Å; Y667-M669 HydrophobicContact CE2-SD 3.93Å; Y667-F675 CarbonylContact C-O 3.32Å; Y667-F675 WeakPolarHBondContact CA-O 3.1Å; Y667-F675 WeakPolarHBondContact CB-O 3.19Å
668Q90.8Very high86.6Confident42 Ų4260.8 Ų60.820%0.19630%0.299CS..EExtended strand (participates in β ladder)trans-134.3143.1166-172.7167.5-2.500110.2I431 K432 F621 F675I431-Q668 HydrophobicContact CD1-CB 4.31Å; I431-Q668 HydrophobicContact CD1-CG 3.88Å; K432-Q668 VanDerWaalsContact N-NE2 3.13Å; F621-Q668 HydrophobicContact CE1-CB 3.64Å; F621-Q668 HydrophobicContact CZ-CB 3.77Å; Q668-F675 PolarHBondContact N-O 3.01Å; Q668-F675 PolarHBondContact O-N 2.79Å
669M91.5Very high85.3Confident32 Ų3254.2 Ų54.216%0.15828%0.279CS..EExtended strand (participates in β ladder)trans-91.7124.8171.8-50.4-58.3-76.600108.7F627 Q650 V653 L654 L657 Y667 V674F627-M669 HydrophobicContact CD1-CE 4.17Å; F627-M669 HydrophobicContact CE1-CE 3.5Å; F627-M669 VanDerWaalsContact CE1-CE 3.5Å; F627-M669 HydrophobicContact CE1-SD 4.48Å; F627-M669 HydrophobicContact CZ-CE 4.07Å; Q650-M669 HydrophobicContact CB-CE 4.47Å; Q650-M669 HydrophobicContact CG-CB 4.36Å; Q650-M669 HydrophobicContact CG-CE 3.6Å; Q650-M669 WeakPolarHBondContact O-CE 3.19Å; V653-M669 HydrophobicContact CB-CE 3.99Å; V653-M669 HydrophobicContact CG1-CE 3.86Å; L654-M669 HydrophobicContact CB-CE 4.37Å; L654-M669 HydrophobicContact CD1-CG 4.14Å; L657-M669 HydrophobicContact CD1-SD 4.23Å; Y667-M669 HydrophobicContact CD2-CG 4.44Å; Y667-M669 HydrophobicContact CD2-SD 3.92Å; Y667-M669 HydrophobicContact CE2-CG 4.23Å; Y667-M669 HydrophobicContact CE2-SD 3.93Å; M669-V674 HydrophobicContact SD-CB 4.43Å; M669-V674 HydrophobicContact SD-CG2 4.01Å
670G91.2Very high84.3Confident6 Ų657.2 Ų57.26%0.06229%0.288CS..  trans-85.3-158.3167.400000112.3E429 Q650 K673E429-G670 CarbonylContact O-C 3.57Å; E429-G670 VanDerWaalsContact O-CA 3.23Å; E429-G670 WeakPolarHBondContact O-CA 3.38Å; E429-G670 WeakPolarHBondContact OE2-CA 3.45Å; Q650-G670 PolarHBondContact NE2-O 2.87Å; G670-K673 WeakPolarHBondContact CA-O 3.31Å; G670-K673 PolarHBondContact N-O 3.34Å
671R91.7Very high83.7Confident178 Ų17857.6 Ų57.667%0.67229%0.291SS*.SBendtrans-79.1-39.1174.5-69-178.6179.5151.6-9.2112.4Q428 E429Q428-R671 WeakPolarHBondContact O-CD 3.42Å; Q428-R671 PolarHBondContact O-NH1 3.4Å; E429-R671 PolarHBondContact O-N 2.98Å; E429-R671 VanDerWaalsContact O-N 3.15Å; E429-R671 PolarHBondContact OE2-N 2.98Å
672T89.8Confident82.9Confident65 Ų6552 Ų5240%0.39926%0.261SS..SBendtrans-130.3-14.9-179.280.40000113.7E429 L626 F627E429-T672 WeakPolarHBondContact OE1-CB 3.34Å; E429-T672 PolarHBondContact OE1-N 3.16Å; E429-T672 PolarHBondContact OE1-OG1 3.42Å; E429-T672 PolarHBondContact OE2-N 2.67Å; L626-T672 WeakPolarHBondContact CA-O 3.2Å; L626-T672 WeakPolarHBondContact CD2-OG1 3.32Å; F627-T672 VanDerWaalsContact CD2-O 3.27Å; F627-T672 WeakPolarHBondContact CD2-O 3.39Å; F627-T672 VanDerWaalsContact CE2-C 3.47Å; F627-T672 WeakPolarHBondContact CG-O 3.36Å; F627-T672 PolarHBondContact N-O 2.76Å
673K90.2Very high82.1Confident47 Ų4753.7 Ų53.720%0.20427%0.268CS..EExtended strand (participates in β ladder)trans-122.5148.4-174.6-63.2166.3-169.2171.50112.3E425 E429 R625 L626 F627 G670 F675E425-K673 WeakPolarHBondContact OE1-CD 3.31Å; E425-K673 WeakPolarHBondContact OE1-CE 3.44Å; E425-K673 IonicContact OE1-NZ 2.7Å; E425-K673 PolarHBondContact OE1-NZ 3.36Å; E429-K673 HydrophobicContact CG-CD 4.25Å; E429-K673 PolarHBondContact OE2-N 2.94Å; R625-K673 VanDerWaalsContact O-CA 3.3Å; R625-K673 WeakPolarHBondContact O-CA 3.41Å; L626-K673 HydrophobicContact CD2-CG 3.85Å; L626-K673 HydrophobicContact CG-CG 4.28Å; F627-K673 WeakPolarHBondContact CE1-O 3.48Å; F627-K673 WeakPolarHBondContact CZ-O 3.26Å; G670-K673 WeakPolarHBondContact CA-O 3.31Å; G670-K673 PolarHBondContact N-O 3.34Å; K673-F675 HydrophobicContact CB-CD2 4.22Å; K673-F675 HydrophobicContact CB-CE2 3.58Å; K673-F675 HydrophobicContact CB-CZ 4.04Å; K673-F675 HydrophobicContact CD-CZ 4.27Å
674V89.7Confident81.8Confident0 Ų051.1 Ų51.10%025%0.254CS..EExtended strand (participates in β ladder)trans-93.3138.6164.256.60000109R624 R625 F627 F630 V653 L657 M669 V676R624-V674 VanDerWaalsContact CA-O 3.29Å; R624-V674 WeakPolarHBondContact CA-O 3.31Å; R625-V674 PolarHBondContact N-O 3.03Å; R625-V674 VanDerWaalsContact N-O 3.12Å; R625-V674 PolarHBondContact O-N 2.93Å; F627-V674 HydrophobicContact CD1-CB 4.07Å; F627-V674 HydrophobicContact CD1-CG1 4.47Å; F627-V674 HydrophobicContact CE1-CB 3.92Å; F627-V674 VanDerWaalsContact CE1-N 3.3Å; F630-V674 HydrophobicContact CB-CG1 4.1Å; F630-V674 HydrophobicContact CD1-CG1 4.48Å; F630-V674 HydrophobicContact CD2-CG1 3.42Å; F630-V674 VanDerWaalsContact CD2-CG1 3.42Å; F630-V674 HydrophobicContact CE2-CG1 3.87Å; F630-V674 HydrophobicContact CG-CG1 3.76Å; V653-V674 HydrophobicContact CG1-CB 3.87Å; V653-V674 HydrophobicContact CG1-CG1 3.96Å; V653-V674 HydrophobicContact CG1-CG2 3.94Å; L657-V674 HydrophobicContact CD1-CG2 4.06Å; M669-V674 HydrophobicContact SD-CB 4.43Å; M669-V674 HydrophobicContact SD-CG2 4.01Å; V674-V676 HydrophobicContact CG2-CG2 4.4Å
675F87.3Confident81.6Confident0 Ų045.6 Ų45.60%022%0.22CC..EExtended strand (participates in β ladder)trans-121.4131.9179.1-66.5-98.6000109.2E425 Y426 E429 I431 F621 Y623 R624 Y667 Q668 K673E425-F675 HydrophobicContact CG-CZ 4.34Å; Y426-F675 HydrophobicContact CD1-CD1 4.16Å; Y426-F675 AromaticContact CD1-CE1 3.74Å; Y426-F675 HydrophobicContact CD1-CE1 3.74Å; Y426-F675 HydrophobicContact CD1-CZ 4.35Å; Y426-F675 AromaticContact CE1-CD1 3.67Å; Y426-F675 HydrophobicContact CE1-CD1 3.67Å; Y426-F675 AromaticContact CE1-CE1 3.52Å; Y426-F675 HydrophobicContact CE1-CE1 3.52Å; E429-F675 HydrophobicContact CB-CE2 3.81Å; E429-F675 HydrophobicContact CB-CZ 3.95Å; E429-F675 HydrophobicContact CG-CE2 3.91Å; E429-F675 HydrophobicContact CG-CZ 3.85Å; I431-F675 HydrophobicContact CD1-CD2 3.42Å; I431-F675 VanDerWaalsContact CD1-CD2 3.42Å; I431-F675 HydrophobicContact CD1-CE2 3.64Å; I431-F675 HydrophobicContact CD1-CG 4.09Å; I431-F675 HydrophobicContact CD1-CZ 4.45Å; I431-F675 HydrophobicContact CG1-CD2 3.93Å; I431-F675 HydrophobicContact CG1-CE2 3.75Å; I431-F675 HydrophobicContact CG1-CG 4.4Å; I431-F675 HydrophobicContact CG1-CZ 4.09Å; F621-F675 HydrophobicContact CB-CB 3.87Å; F621-F675 HydrophobicContact CB-CD1 4.14Å; F621-F675 HydrophobicContact CD1-CB 3.55Å; F621-F675 HydrophobicContact CD2-CB 4.29Å; F621-F675 HydrophobicContact CE1-CB 4.1Å; F621-F675 HydrophobicContact CG-CB 3.66Å; F621-F675 HydrophobicContact CG-CD1 4.37Å; F621-F675 HydrophobicContact CG-CG 4.46Å; Y623-F675 CarbonylContact O-C 3.59Å; Y623-F675 WeakPolarHBondContact O-CA 3.12Å; R624-F675 HydrophobicContact CB-CD1 3.52Å; R624-F675 HydrophobicContact CB-CE1 3.66Å; R624-F675 HydrophobicContact CB-CG 4.22Å; R624-F675 HydrophobicContact CB-CZ 4.43Å; R624-F675 HydrophobicContact CG-CD1 4.46Å; R624-F675 HydrophobicContact CG-CE1 4.27Å; Y667-F675 CarbonylContact C-O 3.32Å; Y667-F675 WeakPolarHBondContact CA-O 3.1Å; Y667-F675 WeakPolarHBondContact CB-O 3.19Å; Q668-F675 PolarHBondContact N-O 3.01Å; Q668-F675 PolarHBondContact O-N 2.79Å; K673-F675 HydrophobicContact CB-CD2 4.22Å; K673-F675 HydrophobicContact CB-CE2 3.58Å; K673-F675 HydrophobicContact CB-CZ 4.04Å; K673-F675 HydrophobicContact CD-CZ 4.27Å
676V83.4Confident81.2Confident0 Ų042.3 Ų42.30%020%0.202CC..EExtended strand (participates in β ladder)trans-124126.8-179.4-178.30000108.2F621 A622 Y623 M662 Q666 V674F621-V676 CarbonylContact C-O 3.42Å; A622-V676 PolarHBondContact N-O 3.22Å; Y623-V676 HydrophobicContact CD1-CG2 4.31Å; Y623-V676 PolarHBondContact N-O 3.26Å; Y623-V676 PolarHBondContact O-N 3.02Å; M662-V676 HydrophobicContact SD-CG1 4.14Å; M662-V676 HydrophobicContact SD-CG2 4.46Å; Q666-V676 CarbonylContact O-C 3.59Å; Q666-V676 WeakPolarHBondContact O-CA 3.35Å; V674-V676 HydrophobicContact CG2-CG2 4.4Å
677K77.8Confident81Confident89 Ų8943.4 Ų43.439%0.38721%0.207SC..SBendtrans-70.6-56.8-172.3-70.5-173.7-174.1157.40112.3F621 A622 D665 Q666F621-K677 HydrophobicContact CD1-CB 4.34Å; F621-K677 HydrophobicContact CD1-CG 3.44Å; F621-K677 VanDerWaalsContact CD1-CG 3.44Å; F621-K677 HydrophobicContact CE1-CD 4.33Å; F621-K677 HydrophobicContact CE1-CG 3.5Å; F621-K677 HydrophobicContact CG-CG 4.24Å; F621-K677 HydrophobicContact CZ-CG 4.31Å; A622-K677 WeakPolarHBondContact CB-O 3.39Å; A622-K677 PolarHBondContact N-O 3.38Å; A622-K677 VanDerWaalsContact N-O 3.13Å; D665-K677 VanDerWaalsContact O-CD 3.29Å; D665-K677 WeakPolarHBondContact O-CD 3.26Å; D665-K677 WeakPolarHBondContact O-CE 3.45Å; D665-K677 PolarHBondContact O-NZ 2.75Å; Q666-K677 PolarHBondContact O-N 3Å
678N70.9Confident80.7Confident67 Ų6744.6 Ų44.636%0.35821%0.214SC..  trans-99136.3-171.9-71.9-23000111.3Q666 E680 S681Q666-N678 PolarHBondContact OE1-ND2 2.74Å; N678-E680 PolarHBondContact O-N 2.67Å; N678-S681 PolarHBondContact O-N 2.8Å
679P62.3Low80.4Confident35 Ų3544.8 Ų44.823%0.22721%0.213CC..Hα-helixtrans-57.2-35.9175-2533.7000113.3A622 S681 L682 F683A622-P679 HydrophobicContact CB-CG 3.86Å; P679-S681 PolarHBondContact O-N 3.04Å; P679-L682 WeakPolarHBondContact O-CA 3.41Å; P679-L682 VanDerWaalsContact O-CB 3.31Å; P679-L682 WeakPolarHBondContact O-CB 3.33Å; P679-L682 PolarHBondContact O-N 3.16Å; P679-F683 HydrophobicContact CB-CE1 3.89Å; P679-F683 HydrophobicContact CB-CE2 3.93Å; P679-F683 HydrophobicContact CB-CZ 3.39Å; P679-F683 VanDerWaalsContact O-CD1 3.26Å; P679-F683 WeakPolarHBondContact O-CD1 3.34Å; P679-F683 WeakPolarHBondContact O-CE1 3.36Å; P679-F683 VanDerWaalsContact O-CG 3.31Å; P679-F683 WeakPolarHBondContact O-CG 3.46Å; P679-F683 PolarHBondContact O-N 3.38Å
680E66.4Low79.8Confident106 Ų10649.4 Ų49.450%0.49523%0.234SC..Hα-helixtrans-54.1-38.6179.2-58.5-177165.800112.8W9 N678 L682 F683 L684W9-E680 HydrophobicContact CH2-CG 4.42Å; W9-E680 WeakPolarHBondContact CH2-OE1 3.38Å; N678-E680 PolarHBondContact O-N 2.67Å; E680-L682 VanDerWaalsContact C-N 3.32Å; E680-L682 PolarHBondContact O-N 3.44Å; E680-F683 PolarHBondContact O-N 3.26Å; E680-L684 PolarHBondContact O-N 3.45Å
681S74.1Confident79.5Confident14 Ų1455.3 Ų55.310%0.09825%0.254CS..Hα-helixtrans-69.4-29.1177.9-45.10000112.4M662 Q666 N678 P679M662-S681 WeakPolarHBondContact CE-O 3.49Å; Q666-S681 PolarHBondContact OE1-OG 2.92Å; N678-S681 PolarHBondContact O-N 2.8Å; P679-S681 PolarHBondContact O-N 3.04Å
682L68.8Low79.3Confident22 Ų2250.4 Ų50.412%0.11524%0.238CC..Hα-helixtrans-73.4-41.2172-175.370.1000111.4Y623 Y634 P679 E680 L684 L685 E686Y623-L682 HydrophobicContact CD1-CD1 3.75Å; Y623-L682 HydrophobicContact CD2-CD1 3.96Å; Y623-L682 HydrophobicContact CD2-CD2 3.46Å; Y623-L682 VanDerWaalsContact CD2-CD2 3.46Å; Y623-L682 HydrophobicContact CD2-CG 4.35Å; Y623-L682 HydrophobicContact CE1-CD1 3.79Å; Y623-L682 HydrophobicContact CE2-CD1 3.99Å; Y623-L682 HydrophobicContact CE2-CD2 3.98Å; Y623-L682 HydrophobicContact CG-CD1 3.81Å; Y623-L682 HydrophobicContact CG-CD2 3.77Å; Y623-L682 HydrophobicContact CG-CG 4.35Å; Y634-L682 WeakPolarHBondContact OH-CD1 3.26Å; P679-L682 WeakPolarHBondContact O-CA 3.41Å; P679-L682 VanDerWaalsContact O-CB 3.31Å; P679-L682 WeakPolarHBondContact O-CB 3.33Å; P679-L682 PolarHBondContact O-N 3.16Å; E680-L682 VanDerWaalsContact C-N 3.32Å; E680-L682 PolarHBondContact O-N 3.44Å; L682-L684 PolarHBondContact O-N 2.71Å; L682-L685 HydrophobicContact CD1-CD1 4.37Å; L682-L685 WeakPolarHBondContact O-CB 3.28Å; L682-L685 PolarHBondContact O-N 3.21Å; L682-E686 PolarHBondContact O-N 2.85Å
683F69.5Low79.1Confident51 Ų5151.9 Ų51.922%0.22424%0.239CC..Hα-helixtrans-60.4-34.7-179.1-52.4-23.3000111.8Y80 P679 E680 L685 E686 E687Y80-F683 AromaticContact CD1-CD1 3.82Å; Y80-F683 HydrophobicContact CD1-CD1 3.82Å; Y80-F683 AromaticContact CD1-CE1 3.26Å; Y80-F683 HydrophobicContact CD1-CE1 3.26Å; Y80-F683 AromaticContact CD1-CZ 4Å; Y80-F683 HydrophobicContact CD1-CZ 4Å; Y80-F683 AromaticContact CD2-CD1 3.93Å; Y80-F683 HydrophobicContact CD2-CD1 3.93Å; Y80-F683 AromaticContact CD2-CE1 3.88Å; Y80-F683 HydrophobicContact CD2-CE1 3.88Å; Y80-F683 HydrophobicContact CD2-CG 4.41Å; Y80-F683 HydrophobicContact CD2-CZ 4.26Å; Y80-F683 AromaticContact CE1-CD1 3.82Å; Y80-F683 HydrophobicContact CE1-CD1 3.82Å; Y80-F683 AromaticContact CE1-CE1 3.71Å; Y80-F683 HydrophobicContact CE1-CE1 3.71Å; Y80-F683 AromaticContact CE2-CD1 3.96Å; Y80-F683 HydrophobicContact CE2-CD1 3.96Å; Y80-F683 HydrophobicContact CE2-CE1 4.29Å; Y80-F683 HydrophobicContact CE2-CG 4.48Å; Y80-F683 AromaticContact CG-CD1 3.86Å; Y80-F683 HydrophobicContact CG-CD1 3.86Å; Y80-F683 AromaticContact CG-CE1 3.34Å; Y80-F683 HydrophobicContact CG-CE1 3.34Å; Y80-F683 HydrophobicContact CG-CE2 4.46Å; Y80-F683 AromaticContact CG-CZ 3.68Å; Y80-F683 HydrophobicContact CG-CZ 3.68Å; Y80-F683 AromaticContact CZ-CD1 3.89Å; P679-F683 HydrophobicContact CB-CE1 3.89Å; P679-F683 HydrophobicContact CB-CE2 3.93Å; P679-F683 HydrophobicContact CB-CZ 3.39Å; P679-F683 VanDerWaalsContact O-CD1 3.26Å; P679-F683 WeakPolarHBondContact O-CD1 3.34Å; P679-F683 WeakPolarHBondContact O-CE1 3.36Å; P679-F683 VanDerWaalsContact O-CG 3.31Å; P679-F683 WeakPolarHBondContact O-CG 3.46Å; P679-F683 PolarHBondContact O-N 3.38Å; E680-F683 PolarHBondContact O-N 3.26Å; F683-L685 VanDerWaalsContact C-N 3.33Å; F683-L685 PolarHBondContact O-N 2.8Å; F683-E686 PolarHBondContact O-N 2.87Å; F683-E687 PolarHBondContact O-N 3.29Å
684L78.3Confident78.6Confident57 Ų5753 Ų5330%0.29825%0.247SC..Hα-helixtrans-60.5-38.1173.9-177.560.6000113.1V660 E680 L682 M688V660-L684 HydrophobicContact CB-CD2 4.32Å; V660-L684 HydrophobicContact CB-CG 4.35Å; V660-L684 HydrophobicContact CG2-CD2 4.41Å; V660-L684 WeakPolarHBondContact O-CD2 3.45Å; E680-L684 PolarHBondContact O-N 3.45Å; L682-L684 PolarHBondContact O-N 2.71Å; L684-M688 HydrophobicContact CD1-CG 4.38Å; L684-M688 HydrophobicContact CD1-SD 4.12Å; L684-M688 HydrophobicContact CG-SD 4.38Å; L684-M688 WeakPolarHBondContact O-CB 3.46Å; L684-M688 VanDerWaalsContact O-CG 3.3Å; L684-M688 WeakPolarHBondContact O-CG 3.32Å; L684-M688 PolarHBondContact O-N 2.76Å
685L81Confident78.5Confident0 Ų056.9 Ų56.90%027%0.271CS..Hα-helixtrans-68.3-39.1176.9-72.7158.9000111.8F630 Y634 L637 L657 V660 M662 L682 F683 R689F630-L685 HydrophobicContact CE2-CD1 4.2Å; F630-L685 HydrophobicContact CZ-CD1 3.76Å; F630-L685 HydrophobicContact CZ-CD2 4.45Å; Y634-L685 HydrophobicContact CD1-CB 4.08Å; Y634-L685 HydrophobicContact CE1-CB 3.75Å; L637-L685 HydrophobicContact CD1-CD2 3.82Å; L657-L685 HydrophobicContact CD2-CD1 4.15Å; V660-L685 HydrophobicContact CB-CD2 4.49Å; V660-L685 HydrophobicContact CG1-CD2 3.81Å; V660-L685 HydrophobicContact CG2-CD2 3.87Å; V660-L685 HydrophobicContact CG2-CG 4.3Å; M662-L685 HydrophobicContact CE-CD1 3.7Å; M662-L685 HydrophobicContact CE-CG 4.15Å; L682-L685 HydrophobicContact CD1-CD1 4.37Å; L682-L685 WeakPolarHBondContact O-CB 3.28Å; L682-L685 PolarHBondContact O-N 3.21Å; F683-L685 VanDerWaalsContact C-N 3.33Å; F683-L685 PolarHBondContact O-N 2.8Å; L685-R689 VanDerWaalsContact O-CB 3.23Å; L685-R689 WeakPolarHBondContact O-CB 3.22Å; L685-R689 PolarHBondContact O-N 2.93Å; L685-R689 VanDerWaalsContact O-N 3.14Å
686E78.2Confident78.6Confident19 Ų1961.2 Ų61.29%0.08929%0.29CS..Hα-helixtrans-72.5-47177.8-64-68.6-175.300112R633 Y634 L682 F683 M688 R689 E690R633-E686 IonicContact CZ-OE1 2.8Å; R633-E686 IonicContact CZ-OE2 3.86Å; R633-E686 IonicContact NE-OE1 2.65Å; R633-E686 PolarHBondContact NE-OE1 3.43Å; R633-E686 IonicContact NE-OE2 2.65Å; R633-E686 IonicContact NH2-OE1 3.59Å; R633-E686 PolarHBondContact NH2-OE1 3.34Å; R633-E686 IonicContact NH2-OE2 2.67Å; R633-E686 PolarHBondContact NH2-OE2 3.18Å; Y634-E686 HydrophobicContact CE1-CG 4.4Å; Y634-E686 PolarHBondContact OH-OE1 2.87Å; L682-E686 PolarHBondContact O-N 2.85Å; F683-E686 PolarHBondContact O-N 2.87Å; E686-M688 VanDerWaalsContact C-N 3.28Å; E686-M688 PolarHBondContact O-N 3.16Å; E686-R689 CarbonylContact O-C 3.52Å; E686-R689 WeakPolarHBondContact O-CA 3.26Å; E686-R689 VanDerWaalsContact O-CB 3.31Å; E686-R689 WeakPolarHBondContact O-CB 3.32Å; E686-R689 PolarHBondContact O-N 3.47Å; E686-R689 IonicContact OE2-NH1 2.73Å; E686-R689 PolarHBondContact OE2-NH1 2.98Å; E686-E690 PolarHBondContact O-N 2.65Å
687E78.3Confident78.9Confident56 Ų5663 Ų6326%0.26231%0.305SS..Hα-helixtrans-60.7-39.3178.8-162.8-164.3-167.200111.2F683 R689 R691F683-E687 PolarHBondContact O-N 3.29Å; E687-R689 VanDerWaalsContact C-N 3.3Å; E687-R689 PolarHBondContact O-N 2.91Å; E687-R691 VanDerWaalsContact CD-CZ 3.4Å; E687-R691 WeakPolarHBondContact O-CD 3.45Å; E687-R691 WeakPolarHBondContact O-CG 3.42Å; E687-R691 PolarHBondContact O-N 2.81Å; E687-R691 VanDerWaalsContact O-N 3.17Å; E687-R691 IonicContact OE1-CZ 3.43Å; E687-R691 IonicContact OE1-NE 2.75Å; E687-R691 IonicContact OE1-NH2 2.71Å; E687-R691 PolarHBondContact OE1-NH2 2.85Å; E687-R691 IonicContact OE2-CZ 3.54Å; E687-R691 VanDerWaalsContact OE2-CZ 3.29Å; E687-R691 IonicContact OE2-NE 3.68Å; E687-R691 IonicContact OE2-NH1 2.85Å; E687-R691 IonicContact OE2-NH2 2.8Å; E687-R691 PolarHBondContact OE2-NH2 3.17Å
688M83.5Confident79.4Confident50 Ų5066.2 Ų66.225%0.24632%0.315CS..Hα-helixtrans-67.7-29.9173.8-72.4-174.359.200112.9L637 V660 L684 E686 K692L637-M688 VanDerWaalsContact CD2-C 3.47Å; L637-M688 HydrophobicContact CD2-CB 3.71Å; V660-M688 HydrophobicContact CB-CE 4.35Å; V660-M688 HydrophobicContact CB-SD 3.76Å; V660-M688 HydrophobicContact CG1-CE 3.79Å; V660-M688 HydrophobicContact CG1-SD 3.55Å; V660-M688 VanDerWaalsContact CG1-SD 3.55Å; L684-M688 HydrophobicContact CD1-CG 4.38Å; L684-M688 HydrophobicContact CD1-SD 4.12Å; L684-M688 HydrophobicContact CG-SD 4.38Å; L684-M688 WeakPolarHBondContact O-CB 3.46Å; L684-M688 VanDerWaalsContact O-CG 3.3Å; L684-M688 WeakPolarHBondContact O-CG 3.32Å; L684-M688 PolarHBondContact O-N 2.76Å; E686-M688 VanDerWaalsContact C-N 3.28Å; E686-M688 PolarHBondContact O-N 3.16Å; M688-K692 WeakPolarHBondContact O-CG 3.4Å; M688-K692 PolarHBondContact O-N 2.95Å
689R85.5Confident80.3Confident47 Ų4767 Ų6718%0.17732%0.322CS..Hα-helixtrans-73.4-40.7177.3173.5172.8178.9-83.3-9.5111.8R633 I636 L637 L685 E686 E687 K692 F693R633-R689 WeakPolarHBondContact O-CD 3.29Å; R633-R689 PolarHBondContact O-NE 2.82Å; I636-R689 HydrophobicContact CG2-CG 3.83Å; L637-R689 HydrophobicContact CD2-CB 4.05Å; L685-R689 VanDerWaalsContact O-CB 3.23Å; L685-R689 WeakPolarHBondContact O-CB 3.22Å; L685-R689 PolarHBondContact O-N 2.93Å; L685-R689 VanDerWaalsContact O-N 3.14Å; E686-R689 CarbonylContact O-C 3.52Å; E686-R689 WeakPolarHBondContact O-CA 3.26Å; E686-R689 VanDerWaalsContact O-CB 3.31Å; E686-R689 WeakPolarHBondContact O-CB 3.32Å; E686-R689 PolarHBondContact O-N 3.47Å; E686-R689 IonicContact OE2-NH1 2.73Å; E686-R689 PolarHBondContact OE2-NH1 2.98Å; E687-R689 VanDerWaalsContact C-N 3.3Å; E687-R689 PolarHBondContact O-N 2.91Å; R689-K692 WeakPolarHBondContact O-CB 3.36Å; R689-K692 PolarHBondContact O-N 3.06Å; R689-F693 HydrophobicContact CG-CD2 4.29Å; R689-F693 HydrophobicContact CG-CE2 3.82Å; R689-F693 VanDerWaalsContact O-CD2 3.31Å; R689-F693 WeakPolarHBondContact O-CD2 3.41Å; R689-F693 PolarHBondContact O-N 2.82Å; R689-F693 VanDerWaalsContact O-N 3.15Å
690E78.8Confident81.6Confident128 Ų12871.1 Ų71.160%0.59834%0.341SS*.Hα-helixtrans-63.5-45.9173.4-65.8-157.4124.200112.8E686 K692 F693 D694E686-E690 PolarHBondContact O-N 2.65Å; E690-K692 PolarHBondContact O-N 2.78Å; E690-K692 VanDerWaalsContact O-N 3.16Å; E690-F693 WeakPolarHBondContact O-CA 3.32Å; E690-F693 WeakPolarHBondContact O-CB 3.47Å; E690-F693 PolarHBondContact O-N 2.67Å; E690-D694 PolarHBondContact O-N 3.28Å
691R84.6Confident82.7Confident131 Ų13170.2 Ų70.249%0.49434%0.337SS..Hα-helixtrans-57.2-31.1175.7-69.9166.8179.5177.92.1112.3E687 T695E687-R691 VanDerWaalsContact CD-CZ 3.4Å; E687-R691 WeakPolarHBondContact O-CD 3.45Å; E687-R691 WeakPolarHBondContact O-CG 3.42Å; E687-R691 PolarHBondContact O-N 2.81Å; E687-R691 VanDerWaalsContact O-N 3.17Å; E687-R691 IonicContact OE1-CZ 3.43Å; E687-R691 IonicContact OE1-NE 2.75Å; E687-R691 IonicContact OE1-NH2 2.71Å; E687-R691 PolarHBondContact OE1-NH2 2.85Å; E687-R691 IonicContact OE2-CZ 3.54Å; E687-R691 VanDerWaalsContact OE2-CZ 3.29Å; E687-R691 IonicContact OE2-NE 3.68Å; E687-R691 IonicContact OE2-NH1 2.85Å; E687-R691 IonicContact OE2-NH2 2.8Å; E687-R691 PolarHBondContact OE2-NH2 3.17Å; R691-T695 WeakPolarHBondContact O-CB 3.37Å; R691-T695 PolarHBondContact O-N 2.89Å; R691-T695 PolarHBondContact O-OG1 2.93Å
692K87.7Confident83.5Confident75 Ų7577.1 Ų77.133%0.32637%0.365SS..Hα-helixtrans-70.7-44.9172.1-65.5-85.3172.1156.80111.4I636 L637 M688 R689 E690 D694 T695 F696I636-K692 HydrophobicContact CG1-CB 4.23Å; L637-K692 HydrophobicContact CD2-CG 4.4Å; L637-K692 VanDerWaalsContact O-CE 3.23Å; L637-K692 WeakPolarHBondContact O-CE 3.28Å; L637-K692 PolarHBondContact O-NZ 2.88Å; M688-K692 WeakPolarHBondContact O-CG 3.4Å; M688-K692 PolarHBondContact O-N 2.95Å; R689-K692 WeakPolarHBondContact O-CB 3.36Å; R689-K692 PolarHBondContact O-N 3.06Å; E690-K692 PolarHBondContact O-N 2.78Å; E690-K692 VanDerWaalsContact O-N 3.16Å; K692-D694 PolarHBondContact O-N 2.76Å; K692-T695 WeakPolarHBondContact O-CB 3.37Å; K692-T695 PolarHBondContact O-N 2.87Å; K692-F696 HydrophobicContact CB-CD2 4.43Å; K692-F696 HydrophobicContact CB-CE2 4.25Å; K692-F696 WeakPolarHBondContact O-CD2 3.37Å; K692-F696 PolarHBondContact O-N 3.18Å
693F84.1Confident84.5Confident96 Ų9678.9 Ų78.942%0.42138%0.383SS..Hα-helixtrans-58.1-46.2176.4-76.6-60.4000112.9I636 R689 E690 T695 F696 A697I636-F693 HydrophobicContact CD1-CD1 3.64Å; I636-F693 HydrophobicContact CD1-CE1 3.38Å; I636-F693 HydrophobicContact CD1-CE2 4.45Å; I636-F693 HydrophobicContact CD1-CG 4.28Å; I636-F693 HydrophobicContact CD1-CZ 3.83Å; R689-F693 HydrophobicContact CG-CD2 4.29Å; R689-F693 HydrophobicContact CG-CE2 3.82Å; R689-F693 VanDerWaalsContact O-CD2 3.31Å; R689-F693 WeakPolarHBondContact O-CD2 3.41Å; R689-F693 PolarHBondContact O-N 2.82Å; R689-F693 VanDerWaalsContact O-N 3.15Å; E690-F693 WeakPolarHBondContact O-CA 3.32Å; E690-F693 WeakPolarHBondContact O-CB 3.47Å; E690-F693 PolarHBondContact O-N 2.67Å; F693-T695 VanDerWaalsContact C-N 3.33Å; F693-T695 PolarHBondContact O-N 2.9Å; F693-F696 PolarHBondContact O-N 3.35Å; F693-A697 WeakPolarHBondContact O-CB 3.39Å; F693-A697 PolarHBondContact O-N 3.27Å
694D81.2Confident85.4Confident69 Ų6984.2 Ų84.237%0.36940%0.402SS..Hα-helixtrans-60.7-42.1175.2178.636000111.7E690 K692 F696 A697 R698E690-D694 PolarHBondContact O-N 3.28Å; K692-D694 PolarHBondContact O-N 2.76Å; D694-F696 PolarHBondContact O-N 3.01Å; D694-A697 PolarHBondContact O-N 2.73Å; D694-R698 WeakPolarHBondContact O-CB 3.3Å; D694-R698 VanDerWaalsContact O-CG 3.31Å; D694-R698 WeakPolarHBondContact O-CG 3.45Å; D694-R698 PolarHBondContact O-N 3.16Å; D694-R698 IonicContact OD1-CZ 3.42Å; D694-R698 IonicContact OD1-NE 2.7Å; D694-R698 PolarHBondContact OD1-NE 3.24Å; D694-R698 IonicContact OD1-NH2 2.91Å; D694-R698 PolarHBondContact OD1-NH2 2.78Å; D694-R698 IonicContact OD2-CZ 3.22Å; D694-R698 IonicContact OD2-NE 2.67Å; D694-R698 PolarHBondContact OD2-NE 2.7Å; D694-R698 IonicContact OD2-NH2 2.66Å; D694-R698 PolarHBondContact OD2-NH2 2.9Å
695T87.6Confident85.7Confident82 Ų8288.4 Ų88.450%0.50341%0.414SS..Hα-helixtrans-59.4-43.1175.9-59.10000112.3R691 K692 F693 T699R691-T695 WeakPolarHBondContact O-CB 3.37Å; R691-T695 PolarHBondContact O-N 2.89Å; R691-T695 PolarHBondContact O-OG1 2.93Å; K692-T695 WeakPolarHBondContact O-CB 3.37Å; K692-T695 PolarHBondContact O-N 2.87Å; F693-T695 VanDerWaalsContact C-N 3.33Å; F693-T695 PolarHBondContact O-N 2.9Å; T695-T699 WeakPolarHBondContact O-CB 3.48Å; T695-T699 PolarHBondContact O-N 2.8Å; T695-T699 VanDerWaalsContact O-N 3.16Å; T695-T699 PolarHBondContact O-OG1 2.91Å
696F89.2Confident85.9Confident91 Ų9196 Ų9640%0.39944%0.442SS..Hα-helixtrans-71.2-41.2175.9-70.9-61000112.3I636 K692 F693 D694 R698 T699 I700I636-F696 HydrophobicContact CD1-CD2 3.93Å; I636-F696 HydrophobicContact CD1-CE2 4.02Å; I636-F696 HydrophobicContact CG1-CD2 4.09Å; I636-F696 HydrophobicContact CG1-CE2 3.65Å; K692-F696 HydrophobicContact CB-CD2 4.43Å; K692-F696 HydrophobicContact CB-CE2 4.25Å; K692-F696 WeakPolarHBondContact O-CD2 3.37Å; K692-F696 PolarHBondContact O-N 3.18Å; F693-F696 PolarHBondContact O-N 3.35Å; D694-F696 PolarHBondContact O-N 3.01Å; F696-R698 PolarHBondContact O-N 3.14Å; F696-T699 WeakPolarHBondContact O-CA 3.42Å; F696-T699 WeakPolarHBondContact O-CB 3.37Å; F696-T699 PolarHBondContact O-N 2.85Å; F696-T699 VanDerWaalsContact O-N 3.1Å; F696-I700 WeakPolarHBondContact O-CG1 3.37Å; F696-I700 PolarHBondContact O-N 3.43Å
697A88.8Confident86.1Confident39 Ų39101.8 Ų101.832%0.32246%0.464SS..Hα-helixtrans-59.5-47.7175.900000111.6F693 D694 T699 I700 Q701F693-A697 WeakPolarHBondContact O-CB 3.39Å; F693-A697 PolarHBondContact O-N 3.27Å; D694-A697 PolarHBondContact O-N 2.73Å; A697-T699 VanDerWaalsContact C-N 3.26Å; A697-T699 PolarHBondContact O-N 3.35Å; A697-I700 PolarHBondContact O-N 3.24Å; A697-Q701 WeakPolarHBondContact O-CB 3.37Å; A697-Q701 VanDerWaalsContact O-CG 3.28Å; A697-Q701 WeakPolarHBondContact O-CG 3.42Å; A697-Q701 PolarHBondContact O-N 3.32Å
698R88.1Confident86.2Confident156 Ų156101.9 Ų101.959%0.58947%0.466SS*.Hα-helixtrans-59.4-36.3173.5-70.2178.3-163.5-125.47.5112.3D694 F696 K702D694-R698 WeakPolarHBondContact O-CB 3.3Å; D694-R698 VanDerWaalsContact O-CG 3.31Å; D694-R698 WeakPolarHBondContact O-CG 3.45Å; D694-R698 PolarHBondContact O-N 3.16Å; D694-R698 IonicContact OD1-CZ 3.42Å; D694-R698 IonicContact OD1-NE 2.7Å; D694-R698 PolarHBondContact OD1-NE 3.24Å; D694-R698 IonicContact OD1-NH2 2.91Å; D694-R698 PolarHBondContact OD1-NH2 2.78Å; D694-R698 IonicContact OD2-CZ 3.22Å; D694-R698 IonicContact OD2-NE 2.67Å; D694-R698 PolarHBondContact OD2-NE 2.7Å; D694-R698 IonicContact OD2-NH2 2.66Å; D694-R698 PolarHBondContact OD2-NH2 2.9Å; F696-R698 PolarHBondContact O-N 3.14Å; R698-K702 VanDerWaalsContact O-CB 3.24Å; R698-K702 WeakPolarHBondContact O-CB 3.02Å; R698-K702 PolarHBondContact O-N 2.93Å
699T89.9Confident86Confident84 Ų84101.6 Ų101.652%0.51547%0.472SS..Hα-helixtrans-66.7-45.8176.9-60.80000111.5T695 F696 A697 K702 A703T695-T699 WeakPolarHBondContact O-CB 3.48Å; T695-T699 PolarHBondContact O-N 2.8Å; T695-T699 VanDerWaalsContact O-N 3.16Å; T695-T699 PolarHBondContact O-OG1 2.91Å; F696-T699 WeakPolarHBondContact O-CA 3.42Å; F696-T699 WeakPolarHBondContact O-CB 3.37Å; F696-T699 PolarHBondContact O-N 2.85Å; F696-T699 VanDerWaalsContact O-N 3.1Å; A697-T699 VanDerWaalsContact C-N 3.26Å; A697-T699 PolarHBondContact O-N 3.35Å; T699-K702 PolarHBondContact O-N 2.71Å; T699-A703 PolarHBondContact O-N 3.47Å
700I91.1Very high85.7Confident121 Ų121105.9 Ų105.962%0.62149%0.488SS*.Hα-helixtrans-62.1-48.6174.8-66.2164.4000110.4F696 A697 K702 A703 W704F696-I700 WeakPolarHBondContact O-CG1 3.37Å; F696-I700 PolarHBondContact O-N 3.43Å; A697-I700 PolarHBondContact O-N 3.24Å; I700-K702 VanDerWaalsContact C-N 3.31Å; I700-K702 PolarHBondContact O-N 3.02Å; I700-A703 PolarHBondContact O-N 3.17Å; I700-A703 VanDerWaalsContact O-N 3.16Å; I700-W704 WeakPolarHBondContact O-CB 3.31Å; I700-W704 PolarHBondContact O-N 2.95Å
701Q88.3Confident85.7Confident86 Ų86105.5 Ų105.540%0.40249%0.485SS..Hα-helixtrans-57.5-41.8175.9-70.5177.420.900112.1A697 W704 R705A697-Q701 WeakPolarHBondContact O-CB 3.37Å; A697-Q701 VanDerWaalsContact O-CG 3.28Å; A697-Q701 WeakPolarHBondContact O-CG 3.42Å; A697-Q701 PolarHBondContact O-N 3.32Å; Q701-W704 PolarHBondContact O-N 3.25Å; Q701-R705 VanDerWaalsContact O-CB 3.31Å; Q701-R705 WeakPolarHBondContact O-CB 3.42Å; Q701-R705 WeakPolarHBondContact O-CG 3.47Å; Q701-R705 PolarHBondContact O-N 3.16Å; Q701-R705 VanDerWaalsContact OE1-CZ 3.32Å
702K90.3Very high85.4Confident159 Ų159105.7 Ų105.769%0.69149%0.489SS*.Hα-helixtrans-65.2-39.9177.6-174.1176.2-177.4177.10111.6R698 T699 I700 R706R698-K702 VanDerWaalsContact O-CB 3.24Å; R698-K702 WeakPolarHBondContact O-CB 3.02Å; R698-K702 PolarHBondContact O-N 2.93Å; T699-K702 PolarHBondContact O-N 2.71Å; I700-K702 VanDerWaalsContact C-N 3.31Å; I700-K702 PolarHBondContact O-N 3.02Å; K702-R706 VanDerWaalsContact O-CB 3.28Å; K702-R706 WeakPolarHBondContact O-CB 3.26Å; K702-R706 PolarHBondContact O-N 2.9Å; K702-R706 VanDerWaalsContact O-N 3.07Å
703A90.2Very high84.7Confident60 Ų60109 Ų10950%0.49650%0.501SS..Hα-helixtrans-65.1-46.5174.400000112T699 I700 R706 Y707T699-A703 PolarHBondContact O-N 3.47Å; I700-A703 PolarHBondContact O-N 3.17Å; I700-A703 VanDerWaalsContact O-N 3.16Å; A703-R706 WeakPolarHBondContact O-CB 3.22Å; A703-R706 PolarHBondContact O-N 3.3Å; A703-Y707 PolarHBondContact O-N 2.72Å
704W88.8Confident84.3Confident163 Ų163110 Ų11062%0.61751%0.507SS*.Hα-helixtrans-63.1-47.4178.1-176.792.9000112.5I700 Q701 R706 Y707 N708I700-W704 WeakPolarHBondContact O-CB 3.31Å; I700-W704 PolarHBondContact O-N 2.95Å; Q701-W704 PolarHBondContact O-N 3.25Å; W704-R706 VanDerWaalsContact C-N 3.29Å; W704-R706 PolarHBondContact O-N 3Å; W704-Y707 PolarHBondContact O-N 2.95Å; W704-Y707 VanDerWaalsContact O-N 3.16Å; W704-N708 VanDerWaalsContact CH2-ND2 3.3Å; W704-N708 WeakPolarHBondContact CH2-ND2 3.42Å; W704-N708 WeakPolarHBondContact CZ2-ND2 3.44Å; W704-N708 PolarHBondContact O-N 3.46Å
705R85.5Confident84.3Confident145 Ų145111.5 Ų111.555%0.54751%0.511SS..Hα-helixtrans-57.6-41.6174.1-72.4172.3-175.7129.48.3111.1Q701 A709Q701-R705 VanDerWaalsContact O-CB 3.31Å; Q701-R705 WeakPolarHBondContact O-CB 3.42Å; Q701-R705 WeakPolarHBondContact O-CG 3.47Å; Q701-R705 PolarHBondContact O-N 3.16Å; Q701-R705 VanDerWaalsContact OE1-CZ 3.32Å; R705-A709 VanDerWaalsContact O-CB 3.31Å; R705-A709 WeakPolarHBondContact O-CB 3.34Å; R705-A709 PolarHBondContact O-N 3.29Å
706R84.8Confident83.7Confident159 Ų159110.5 Ų110.560%0.650%0.502SS*.Hα-helixtrans-66.8-39176.3-169.9-175.1-166-170.47112.8K702 A703 W704 R710K702-R706 VanDerWaalsContact O-CB 3.28Å; K702-R706 WeakPolarHBondContact O-CB 3.26Å; K702-R706 PolarHBondContact O-N 2.9Å; K702-R706 VanDerWaalsContact O-N 3.07Å; A703-R706 WeakPolarHBondContact O-CB 3.22Å; A703-R706 PolarHBondContact O-N 3.3Å; W704-R706 VanDerWaalsContact C-N 3.29Å; W704-R706 PolarHBondContact O-N 3Å; R706-R710 WeakPolarHBondContact O-CB 3.39Å; R706-R710 WeakPolarHBondContact O-CG 3.38Å; R706-R710 PolarHBondContact O-N 2.91Å
707Y82.5Confident83.1Confident140 Ų140108.4 Ų108.455%0.54949%0.491SS..Hα-helixtrans-64.5-51176.3173.1-96.1000111.3A703 W704 A709 R710 K711A703-Y707 PolarHBondContact O-N 2.72Å; W704-Y707 PolarHBondContact O-N 2.95Å; W704-Y707 VanDerWaalsContact O-N 3.16Å; Y707-A709 VanDerWaalsContact C-N 3.35Å; Y707-A709 PolarHBondContact O-N 3.17Å; Y707-R710 WeakPolarHBondContact O-CB 3.4Å; Y707-R710 PolarHBondContact O-N 2.92Å; Y707-K711 HydrophobicContact CE1-CD 4.44Å; Y707-K711 PolarHBondContact O-N 3.29Å
708N80.3Confident82.6Confident58 Ų58109.9 Ų109.931%0.3149%0.491SS..Hα-helixtrans-62.9-39.7178.9-74.6-15.4000112.4W704 K711 K712W704-N708 VanDerWaalsContact CH2-ND2 3.3Å; W704-N708 WeakPolarHBondContact CH2-ND2 3.42Å; W704-N708 WeakPolarHBondContact CZ2-ND2 3.44Å; W704-N708 PolarHBondContact O-N 3.46Å; N708-K711 PolarHBondContact O-N 3.27Å; N708-K712 WeakPolarHBondContact O-CB 3.31Å; N708-K712 PolarHBondContact O-N 3.43Å
709A78.4Confident82.2Confident45 Ų45106 Ų10637%0.37248%0.48SS..Hα-helixtrans-60.1-47.6173.400000111.8R705 Y707 K712 Y713R705-A709 VanDerWaalsContact O-CB 3.31Å; R705-A709 WeakPolarHBondContact O-CB 3.34Å; R705-A709 PolarHBondContact O-N 3.29Å; Y707-A709 VanDerWaalsContact C-N 3.35Å; Y707-A709 PolarHBondContact O-N 3.17Å; A709-K712 PolarHBondContact O-N 3.02Å; A709-Y713 WeakPolarHBondContact O-CD2 3.32Å; A709-Y713 PolarHBondContact O-N 3.31Å
710R79.3Confident81.7Confident136 Ų136102 Ų10251%0.51346%0.455SS..Hα-helixtrans-58.4-51.1176.2-78.9170.8164.3-176.9-9.5112.2R706 Y707 K712 Y713 E714R706-R710 WeakPolarHBondContact O-CB 3.39Å; R706-R710 WeakPolarHBondContact O-CG 3.38Å; R706-R710 PolarHBondContact O-N 2.91Å; Y707-R710 WeakPolarHBondContact O-CB 3.4Å; Y707-R710 PolarHBondContact O-N 2.92Å; R710-K712 PolarHBondContact O-N 3.29Å; R710-Y713 PolarHBondContact O-N 2.82Å; R710-Y713 VanDerWaalsContact O-N 3.09Å; R710-E714 WeakPolarHBondContact O-CG 3.48Å; R710-E714 PolarHBondContact O-N 3Å
711K79.5Confident81.1Confident121 Ų12196.2 Ų96.253%0.52643%0.426SS..Hα-helixtrans-54.7-41.7178.2-174.3178.4178.7-178.80111.5Y707 N708 E714 Q715Y707-K711 HydrophobicContact CE1-CD 4.44Å; Y707-K711 PolarHBondContact O-N 3.29Å; N708-K711 PolarHBondContact O-N 3.27Å; K711-E714 PolarHBondContact O-N 2.94Å; K711-Q715 WeakPolarHBondContact O-CB 3.39Å; K711-Q715 PolarHBondContact O-N 2.69Å
712K77.9Confident80.8Confident134 Ų13495.5 Ų95.558%0.58343%0.425SS*.Hα-helixtrans-68.3-41.1176.7-169.1171.7-175.9171.60113.1N708 A709 R710 Q715 M716N708-K712 WeakPolarHBondContact O-CB 3.31Å; N708-K712 PolarHBondContact O-N 3.43Å; A709-K712 PolarHBondContact O-N 3.02Å; R710-K712 PolarHBondContact O-N 3.29Å; K712-Q715 PolarHBondContact O-N 3.26Å; K712-M716 HydrophobicContact CG-CE 4.3Å; K712-M716 HydrophobicContact CG-SD 4.43Å; K712-M716 VanDerWaalsContact O-CG 3.32Å; K712-M716 WeakPolarHBondContact O-CG 3.31Å; K712-M716 PolarHBondContact O-N 2.82Å
713Y73.3Confident80.6Confident146 Ų14690.2 Ų90.257%0.57340%0.404SS*.Hα-helixtrans-65.2-38.5174-80.8-65.5000112.6A709 R710 M716 R717A709-Y713 WeakPolarHBondContact O-CD2 3.32Å; A709-Y713 PolarHBondContact O-N 3.31Å; R710-Y713 PolarHBondContact O-N 2.82Å; R710-Y713 VanDerWaalsContact O-N 3.09Å; Y713-M716 HydrophobicContact CD1-CE 3.61Å; Y713-M716 HydrophobicContact CE1-CE 3.98Å; Y713-M716 HydrophobicContact CG-CE 4.25Å; Y713-R717 WeakPolarHBondContact O-CB 3.39Å; Y713-R717 PolarHBondContact O-N 3Å; Y713-R717 VanDerWaalsContact O-N 3.12Å
714E76Confident80.4Confident116 Ų11687.4 Ų87.454%0.54238%0.38SS..Hα-helixtrans-65.3-44.9175.8-73.7166.6-169.800111.3R710 K711 R717 E718R710-E714 WeakPolarHBondContact O-CG 3.48Å; R710-E714 PolarHBondContact O-N 3Å; K711-E714 PolarHBondContact O-N 2.94Å; E714-R717 PolarHBondContact O-N 2.88Å; E714-E718 PolarHBondContact O-N 3.4Å
715Q80.6Confident80.2Confident100 Ų10083.6 Ų83.647%0.46737%0.366SS..Hα-helixtrans-58.1-52.5173.7177.3179.9-12.600112.2K711 K712 R717 E718 E719K711-Q715 WeakPolarHBondContact O-CB 3.39Å; K711-Q715 PolarHBondContact O-N 2.69Å; K712-Q715 PolarHBondContact O-N 3.26Å; Q715-R717 PolarHBondContact O-N 3.23Å; Q715-E718 PolarHBondContact O-N 2.79Å; Q715-E719 HydrophobicContact CG-CG 4.33Å; Q715-E719 VanDerWaalsContact CG-OE1 3.31Å; Q715-E719 WeakPolarHBondContact CG-OE1 3.38Å; Q715-E719 PolarHBondContact NE2-OE1 2.75Å; Q715-E719 WeakPolarHBondContact O-CG 3.4Å; Q715-E719 PolarHBondContact O-N 3.07Å
716M75.6Confident80.3Confident62 Ų6281.2 Ų81.231%0.30536%0.364SS..Hα-helixtrans-60.7-29.3179.7-68.3-178.3-53.700112.4K712 Y713 A720K712-M716 HydrophobicContact CG-CE 4.3Å; K712-M716 HydrophobicContact CG-SD 4.43Å; K712-M716 VanDerWaalsContact O-CG 3.32Å; K712-M716 WeakPolarHBondContact O-CG 3.31Å; K712-M716 PolarHBondContact O-N 2.82Å; Y713-M716 HydrophobicContact CD1-CE 3.61Å; Y713-M716 HydrophobicContact CE1-CE 3.98Å; Y713-M716 HydrophobicContact CG-CE 4.25Å; M716-A720 WeakPolarHBondContact O-CB 3.22Å; M716-A720 PolarHBondContact O-N 3.06Å
717R75.8Confident80.4Confident46 Ų4675.6 Ų75.617%0.17435%0.35CS..Hα-helixtrans-76.1-30.9175.2-167.7-177.170.3133.810.4113Y713 E714 Q715 S721 N736 F739 T926Y713-R717 WeakPolarHBondContact O-CB 3.39Å; Y713-R717 PolarHBondContact O-N 3Å; Y713-R717 VanDerWaalsContact O-N 3.12Å; E714-R717 PolarHBondContact O-N 2.88Å; Q715-R717 PolarHBondContact O-N 3.23Å; R717-S721 PolarHBondContact O-N 2.91Å; R717-N736 PolarHBondContact NH1-OD1 3.09Å; R717-F739 HydrophobicContact CB-CE2 4.36Å; R717-F739 HydrophobicContact CG-CZ 4.43Å; R717-T926 PolarHBondContact NH2-O 3.07Å
718E78Confident80.8Confident70 Ų7069 Ų6933%0.32732%0.324SS..Hα-helixtrans-72.2-51.5173.5-163.9151.2-157.800109.6E714 Q715 A720 S721 D722 R927E714-E718 PolarHBondContact O-N 3.4Å; Q715-E718 PolarHBondContact O-N 2.79Å; E718-A720 PolarHBondContact O-N 3.23Å; E718-S721 PolarHBondContact O-N 3.47Å; E718-D722 PolarHBondContact O-N 2.91Å; E718-R927 IonicContact OE1-NH2 3.21Å; E718-R927 PolarHBondContact OE1-NH2 2.93Å; E718-R927 IonicContact OE2-CZ 2.66Å; E718-R927 IonicContact OE2-NE 3.08Å; E718-R927 IonicContact OE2-NH2 3.17Å; E718-R927 PolarHBondContact OE2-NH2 3.09Å
719E80.5Confident81.3Confident74 Ų7467 Ų6735%0.34631%0.313SS..Hα-helixtrans-49.5-51.3172.1-70.5171.4-178.300112.2Q715 S721 D722 I723Q715-E719 HydrophobicContact CG-CG 4.33Å; Q715-E719 VanDerWaalsContact CG-OE1 3.31Å; Q715-E719 WeakPolarHBondContact CG-OE1 3.38Å; Q715-E719 PolarHBondContact NE2-OE1 2.75Å; Q715-E719 WeakPolarHBondContact O-CG 3.4Å; Q715-E719 PolarHBondContact O-N 3.07Å; E719-S721 VanDerWaalsContact C-N 3.28Å; E719-S721 PolarHBondContact O-N 3.27Å; E719-D722 PolarHBondContact O-N 3.45Å; E719-I723 PolarHBondContact O-N 2.91Å
720A79.4Confident81.7Confident0 Ų065.1 Ų65.10%030%0.296CS..Hα-helixtrans-67-24.3-179.500000114.6M716 E718 F739 T849 S853M716-A720 WeakPolarHBondContact O-CB 3.22Å; M716-A720 PolarHBondContact O-N 3.06Å; E718-A720 PolarHBondContact O-N 3.23Å; A720-F739 HydrophobicContact CB-CE2 3.41Å; A720-F739 VanDerWaalsContact CB-CE2 3.41Å; A720-F739 HydrophobicContact CB-CZ 3.5Å; A720-F739 VanDerWaalsContact CB-CZ 3.5Å; A720-T849 HydrophobicContact CB-CG2 4.22Å; A720-T849 VanDerWaalsContact O-CG2 3.29Å; A720-T849 WeakPolarHBondContact O-CG2 3.3Å; A720-S853 WeakPolarHBondContact CA-OG 3.46Å; A720-S853 VanDerWaalsContact CB-CB 3.41Å; A720-S853 WeakPolarHBondContact CB-OG 3.34Å
721S77.6Confident82Confident1 Ų161 Ų611%0.00728%0.28CS..Hα-helixtrans-86.1-29176.8-1620000112.4R717 E718 E719 I723 L724 Y725 R730R717-S721 PolarHBondContact O-N 2.91Å; E718-S721 PolarHBondContact O-N 3.47Å; E719-S721 VanDerWaalsContact C-N 3.28Å; E719-S721 PolarHBondContact O-N 3.27Å; S721-I723 VanDerWaalsContact C-N 3.31Å; S721-I723 PolarHBondContact O-N 2.88Å; S721-L724 PolarHBondContact O-N 2.81Å; S721-Y725 PolarHBondContact O-N 2.92Å; S721-R730 PolarHBondContact OG-NH2 2.79Å
722D83.1Confident82Confident71 Ų7160.8 Ų60.838%0.3828%0.28SS..Hα-helixtrans-69.2-29.7179-76.1-8.7000112.2E718 E719 L724 Y725 K924E718-D722 PolarHBondContact O-N 2.91Å; E719-D722 PolarHBondContact O-N 3.45Å; D722-L724 PolarHBondContact O-N 2.94Å; D722-L724 VanDerWaalsContact O-N 3.11Å; D722-Y725 WeakPolarHBondContact O-CB 3.39Å; D722-Y725 PolarHBondContact O-N 3.35Å; D722-Y725 VanDerWaalsContact O-N 3.16Å; D722-K924 VanDerWaalsContact CG-NZ 3.3Å; D722-K924 VanDerWaalsContact OD1-CE 3.32Å; D722-K924 WeakPolarHBondContact OD1-CE 3.4Å; D722-K924 IonicContact OD1-NZ 3.6Å; D722-K924 PolarHBondContact OD1-NZ 2.69Å; D722-K924 IonicContact OD2-NZ 2.78Å; D722-K924 PolarHBondContact OD2-NZ 3.39Å; D722-K924 VanDerWaalsContact OD2-NZ 3.16Å
723I85.4Confident82Confident48 Ų4861.4 Ų61.425%0.24629%0.289CS..THydrogen-bonded Turntrans-54.3-28.3170.4-68.8171.1000113.4E719 S721 I869E719-I723 PolarHBondContact O-N 2.91Å; S721-I723 VanDerWaalsContact C-N 3.31Å; S721-I723 PolarHBondContact O-N 2.88Å; I723-I869 HydrophobicContact CG2-CD1 3.64Å
724L86.1Confident82.3Confident1 Ų155.1 Ų55.11%0.00527%0.266CS..THydrogen-bonded Turntrans-112.7-0.1-176.7-60.3175.6000112.8S721 D722 S727 K728 R730 L824 T849 F871S721-L724 PolarHBondContact O-N 2.81Å; D722-L724 PolarHBondContact O-N 2.94Å; D722-L724 VanDerWaalsContact O-N 3.11Å; L724-S727 PolarHBondContact O-N 3.34Å; L724-K728 PolarHBondContact O-N 2.82Å; L724-K728 VanDerWaalsContact O-N 3.13Å; L724-R730 VanDerWaalsContact CD1-NH1 3.29Å; L724-L824 HydrophobicContact CD2-CD2 4.19Å; L724-T849 HydrophobicContact CD1-CG2 4.13Å; L724-F871 HydrophobicContact CD2-CE1 3.76Å; L724-F871 HydrophobicContact CD2-CZ 3.87Å
725Y85.6Confident82.4Confident82 Ų8250.2 Ų50.232%0.32224%0.244SC..THydrogen-bonded Turntrans-66.8140.6-174.2-175.7-103000112S721 D722 S727 S922 K924S721-Y725 PolarHBondContact O-N 2.92Å; D722-Y725 WeakPolarHBondContact O-CB 3.39Å; D722-Y725 PolarHBondContact O-N 3.35Å; D722-Y725 VanDerWaalsContact O-N 3.16Å; Y725-S727 PolarHBondContact O-N 3.14Å; Y725-S727 PolarHBondContact O-OG 3.5Å; Y725-S922 VanDerWaalsContact CE2-O 3.25Å; Y725-S922 WeakPolarHBondContact CE2-O 3.29Å; Y725-K924 HydrophobicContact CD2-CD 4.44Å; Y725-K924 HydrophobicContact CD2-CG 3.86Å; Y725-K924 HydrophobicContact CE2-CD 4.17Å; Y725-K924 HydrophobicContact CE2-CG 3.53Å
726N85.8Confident82.2Confident95 Ų9548.6 Ų48.651%0.50824%0.239SC..THydrogen-bonded Turntrans55.5-10.2-171-70.2-13.5000116.3K921 S922N726-K921 VanDerWaalsContact C-CB 3.48Å; N726-K921 WeakPolarHBondContact CA-O 3.48Å; N726-K921 PolarHBondContact N-O 2.88Å; N726-K921 WeakPolarHBondContact O-CB 3.48Å; N726-K921 WeakPolarHBondContact O-CD 3.11Å; N726-S922 WeakPolarHBondContact OD1-CA 3.46Å; N726-S922 WeakPolarHBondContact OD1-CB 3.49Å
727S87.5Confident82.4Confident42 Ų4250 Ų5029%0.29424%0.24SC..THydrogen-bonded Turntrans-99.9-42.2-171.8-56.10000113.4L724 Y725 S826L724-S727 PolarHBondContact O-N 3.34Å; Y725-S727 PolarHBondContact O-N 3.14Å; Y725-S727 PolarHBondContact O-OG 3.5Å; S727-S826 WeakPolarHBondContact O-CB 3.47Å
728K91.1Very high82.5Confident1 Ų153.9 Ų53.90%0.00427%0.265CS..SBendtrans-128.5135.2-177.9-168.9171.6-178.864.20112.5L724 R730 L824 S825 S826 R827 D829 F871L724-K728 PolarHBondContact O-N 2.82Å; L724-K728 VanDerWaalsContact O-N 3.13Å; K728-R730 WeakPolarHBondContact O-CD 3.31Å; K728-L824 HydrophobicContact CD-CB 4.12Å; K728-L824 HydrophobicContact CD-CD2 3.75Å; K728-S825 WeakPolarHBondContact CD-O 3.46Å; K728-S825 VanDerWaalsContact CG-O 3.31Å; K728-S825 WeakPolarHBondContact CG-O 3.47Å; K728-S825 PolarHBondContact NZ-O 2.99Å; K728-S825 PolarHBondContact NZ-OG 3.49Å; K728-S826 WeakPolarHBondContact CA-O 3.39Å; K728-R827 WeakPolarHBondContact CE-O 3.42Å; K728-R827 WeakPolarHBondContact CG-O 3.19Å; K728-R827 PolarHBondContact NZ-O 3.48Å; K728-D829 WeakPolarHBondContact CE-O 3.41Å; K728-D829 PolarHBondContact NZ-O 3.27Å; K728-D829 IonicContact NZ-OD1 2.75Å; K728-D829 PolarHBondContact NZ-OD1 2.93Å; K728-D829 VanDerWaalsContact NZ-OD1 3.08Å; K728-D829 IonicContact NZ-OD2 2.8Å; K728-D829 PolarHBondContact NZ-OD2 3.07Å; K728-F871 HydrophobicContact CB-CD1 4.17Å; K728-F871 HydrophobicContact CB-CE1 4.02Å
729E90.2Very high82.9Confident17 Ų1752.7 Ų52.78%0.07926%0.258CS..  trans-59.8149.1174.7-67.5163.3-153.200111.1S826 R827 Q828 G918 L919 K921E729-S826 PolarHBondContact N-O 3.05Å; E729-R827 IonicContact OE1-NH1 2.78Å; E729-R827 PolarHBondContact OE1-NH1 3.42Å; E729-Q828 HydrophobicContact CB-CB 4Å; E729-Q828 PolarHBondContact OE2-N 3Å; E729-G918 PolarHBondContact OE2-N 2.97Å; E729-L919 WeakPolarHBondContact CA-O 3.31Å; E729-K921 HydrophobicContact CG-CG 3.97Å
730R87.1Confident83Confident5 Ų553.7 Ų53.72%0.01927%0.27CS..BIsolated β-bridgetrans-110.3124.1-171.1-50-64.9-80.9143.9-7.8110.6S721 L724 K728 K732 I735 T849 L919S721-R730 PolarHBondContact OG-NH2 2.79Å; L724-R730 VanDerWaalsContact CD1-NH1 3.29Å; K728-R730 WeakPolarHBondContact O-CD 3.31Å; R730-K732 PolarHBondContact O-N 2.96Å; R730-I735 HydrophobicContact CB-CD1 4.33Å; R730-I735 HydrophobicContact CG-CD1 4.49Å; R730-T849 PolarHBondContact NH1-OG1 2.83Å; R730-L919 HydrophobicContact CB-CB 4.27Å; R730-L919 PolarHBondContact N-O 3.36Å; R730-L919 WeakPolarHBondContact O-CB 3.47Å; R730-L919 WeakPolarHBondContact O-CG 3.35Å; R730-L919 PolarHBondContact O-N 2.79Å
731R85.8Confident83.4Confident48 Ų4854.2 Ų54.218%0.18128%0.275CS..  trans-63.6135.3170-63.1-166-66.8142.72.3109.6N733 S734 Q828 D830 N846R731-N733 PolarHBondContact O-N 3Å; R731-N733 VanDerWaalsContact O-N 3.11Å; R731-S734 PolarHBondContact O-N 2.85Å; R731-Q828 WeakPolarHBondContact CD-O 3.33Å; R731-Q828 HydrophobicContact CG-CB 3.9Å; R731-Q828 HydrophobicContact CG-CG 4.33Å; R731-Q828 WeakPolarHBondContact CG-O 3.48Å; R731-D830 VanDerWaalsContact CZ-CG 3.42Å; R731-D830 IonicContact CZ-OD1 3.21Å; R731-D830 VanDerWaalsContact CZ-OD1 3.25Å; R731-D830 IonicContact CZ-OD2 3.25Å; R731-D830 IonicContact NE-OD1 2.77Å; R731-D830 PolarHBondContact NE-OD1 3.02Å; R731-D830 VanDerWaalsContact NE-OD1 3.11Å; R731-D830 IonicContact NE-OD2 3.11Å; R731-D830 PolarHBondContact NE-OD2 2.96Å; R731-D830 IonicContact NH1-OD2 2.7Å; R731-D830 PolarHBondContact NH1-OD2 3.16Å; R731-D830 IonicContact NH2-OD1 2.79Å; R731-D830 PolarHBondContact NH2-OD1 3.41Å; R731-D830 IonicContact NH2-OD2 2.84Å; R731-D830 PolarHBondContact NH2-OD2 2.89Å; R731-N846 PolarHBondContact NH1-OD1 3.33Å; R731-N846 PolarHBondContact NH2-OD1 2.64Å
732K80.3Confident83.9Confident118 Ų11856.5 Ų56.551%0.51329%0.287SS..THydrogen-bonded Turntrans-46.8-43.8179.5-64.8161.6-172.41540112.5R730 L919R730-K732 PolarHBondContact O-N 2.96Å; K732-L919 HydrophobicContact CG-CD1 4.28Å; K732-L919 HydrophobicContact CG-CD2 4.02Å; K732-L919 HydrophobicContact CG-CG 3.95Å
733N77.8Confident84.3Confident147 Ų14756.1 Ų56.179%0.78628%0.28SS*.THydrogen-bonded Turntrans-85.9-7.4-177.4-61.7-12.7000114.5R731R731-N733 PolarHBondContact O-N 3Å; R731-N733 VanDerWaalsContact O-N 3.11Å
734S79.3Confident84.5Confident13 Ų1354.7 Ų54.79%0.09127%0.273CS..THydrogen-bonded Turntrans-90.9-25.9179.9-179.20000113.4R731R731-S734 PolarHBondContact O-N 2.85Å
735I77.3Confident84.5Confident14 Ų1456 Ų567%0.07229%0.287CS..THydrogen-bonded Turntrans-76.6-27-166.6-158.3174.6000113.8R730 L919 S923 K924 P925R730-I735 HydrophobicContact CB-CD1 4.33Å; R730-I735 HydrophobicContact CG-CD1 4.49Å; I735-L919 HydrophobicContact CG2-CD1 4.4Å; I735-S923 VanDerWaalsContact CD1-CB 3.47Å; I735-S923 WeakPolarHBondContact CD1-O 3.34Å; I735-K924 WeakPolarHBondContact CD1-O 2.84Å; I735-P925 WeakPolarHBondContact O-CB 3.46Å
736N76.2Confident84.4Confident66 Ų6652.1 Ų52.135%0.35327%0.272SS..THydrogen-bonded Turntrans-117.420-178.8-83.2-44000112.9R717 T926R717-N736 PolarHBondContact NH1-OD1 3.09Å; N736-T926 PolarHBondContact ND2-OG1 3.42Å; N736-T926 PolarHBondContact OD1-N 3.21Å; N736-T926 VanDerWaalsContact OD1-N 3.16Å; N736-T926 PolarHBondContact OD1-O 3.22Å; N736-T926 PolarHBondContact OD1-OG1 3.17Å
737R81.1Confident84Confident90 Ų9055.5 Ų55.534%0.3428%0.284SS..PPolyproline II helixtrans-70.7145.2178.8-153.3172-161.6-171.1-2.4110.5N846 F847R737-N846 PolarHBondContact NH1-O 3.15Å; R737-F847 VanDerWaalsContact NH2-CE1 3.3Å; R737-F847 VanDerWaalsContact NH2-CZ 3.26Å
738N78.6Confident83.6Confident129 Ų12961.8 Ų61.869%0.6931%0.309SS*.PPolyproline II helixtrans-82.5133169.4-68.4-12.1000109.3Y743N738-Y743 PolarHBondContact O-OH 3.44Å; N738-Y743 VanDerWaalsContact O-OH 3.06Å
739F85.1Confident83.3Confident44 Ų4467 Ų6719%0.19333%0.329CS..PPolyproline II helixtrans-77.4144.2170.4-62.3-14.9000110.4R717 A720 T849 E850R717-F739 HydrophobicContact CB-CE2 4.36Å; R717-F739 HydrophobicContact CG-CZ 4.43Å; A720-F739 HydrophobicContact CB-CE2 3.41Å; A720-F739 VanDerWaalsContact CB-CE2 3.41Å; A720-F739 HydrophobicContact CB-CZ 3.5Å; A720-F739 VanDerWaalsContact CB-CZ 3.5Å; F739-T849 HydrophobicContact CZ-CG2 4.31Å; F739-E850 WeakPolarHBondContact CA-OE1 3.49Å; F739-E850 WeakPolarHBondContact CA-OE2 3.31Å; F739-E850 HydrophobicContact CB-CG 3.94Å; F739-E850 VanDerWaalsContact CB-OE1 3.3Å; F739-E850 WeakPolarHBondContact CB-OE1 3.23Å; F739-E850 HydrophobicContact CD1-CB 3.7Å; F739-E850 HydrophobicContact CD1-CG 3.74Å; F739-E850 VanDerWaalsContact CD1-OE2 3.24Å; F739-E850 WeakPolarHBondContact CD1-OE2 3.49Å; F739-E850 HydrophobicContact CD2-CG 4.1Å; F739-E850 HydrophobicContact CE1-CB 3.79Å; F739-E850 HydrophobicContact CE1-CG 4.28Å; F739-E850 HydrophobicContact CG-CB 4.11Å; F739-E850 HydrophobicContact CG-CG 3.66Å; F739-E850 HydrophobicContact CZ-CB 4.23Å
740V83.6Confident82.9Confident96 Ų9670.5 Ų70.558%0.58235%0.353SS*.  trans-133.2-21.9-175-1770000111.6D742 Y743 E850V740-D742 VanDerWaalsContact C-N 3.34Å; V740-D742 PolarHBondContact O-N 3.06Å; V740-Y743 HydrophobicContact CB-CD1 4.21Å; V740-Y743 HydrophobicContact CB-CE1 3.54Å; V740-Y743 HydrophobicContact CB-CE2 4.16Å; V740-Y743 HydrophobicContact CG1-CE1 4.34Å; V740-Y743 HydrophobicContact CG2-CD1 4.48Å; V740-Y743 HydrophobicContact CG2-CE1 3.53Å; V740-Y743 PolarHBondContact N-OH 2.83Å; V740-E850 PolarHBondContact N-OE1 3.08Å
741G86.9Confident82.8Confident10 Ų1075.1 Ų75.110%0.10338%0.375CS..SBendtrans75-81.7-170.800000111.4Y743 D763 F764 A765 E850G741-Y743 PolarHBondContact O-N 2.87Å; G741-D763 VanDerWaalsContact CA-O 3.23Å; G741-D763 WeakPolarHBondContact CA-O 2.84Å; G741-F764 CarbonylContact O-C 3.49Å; G741-F764 VanDerWaalsContact O-CA 3.28Å; G741-F764 WeakPolarHBondContact O-CA 3.11Å; G741-A765 PolarHBondContact O-N 2.65Å; G741-E850 PolarHBondContact N-OE1 3.37Å
742D89Confident82.7Confident49 Ų4972.8 Ų72.826%0.26237%0.366SS..BIsolated β-bridgetrans-87.299.6-175.1-175.23000112V740 L744 G745 L746V740-D742 VanDerWaalsContact C-N 3.34Å; V740-D742 PolarHBondContact O-N 3.06Å; D742-L744 PolarHBondContact OD1-N 2.92Å; D742-G745 PolarHBondContact OD1-N 2.78Å; D742-L746 PolarHBondContact OD1-N 2.88Å; D742-L746 WeakPolarHBondContact OD2-CB 3.35Å; D742-L746 PolarHBondContact OD2-N 3.31Å
743Y90.3Very high82.9Confident63 Ų6371.9 Ų71.925%0.24736%0.359CS..SBendtrans-93.1-0.3172.7-63.9-78.8000113.6N738 V740 G741 F764 A765 F847 E850N738-Y743 PolarHBondContact O-OH 3.44Å; N738-Y743 VanDerWaalsContact O-OH 3.06Å; V740-Y743 HydrophobicContact CB-CD1 4.21Å; V740-Y743 HydrophobicContact CB-CE1 3.54Å; V740-Y743 HydrophobicContact CB-CE2 4.16Å; V740-Y743 HydrophobicContact CG1-CE1 4.34Å; V740-Y743 HydrophobicContact CG2-CD1 4.48Å; V740-Y743 HydrophobicContact CG2-CE1 3.53Å; V740-Y743 PolarHBondContact N-OH 2.83Å; G741-Y743 PolarHBondContact O-N 2.87Å; Y743-F764 HydrophobicContact CD2-CE2 4.17Å; Y743-F764 HydrophobicContact CE2-CE2 4.17Å; Y743-A765 WeakPolarHBondContact CA-O 3.35Å; Y743-A765 VanDerWaalsContact CB-O 3.31Å; Y743-A765 WeakPolarHBondContact CB-O 3.24Å; Y743-A765 PolarHBondContact N-O 3.14Å; Y743-F847 HydrophobicContact CD1-CD1 4.35Å; Y743-F847 AromaticContact CD1-CE1 3.59Å; Y743-F847 HydrophobicContact CD1-CE1 3.59Å; Y743-F847 HydrophobicContact CD1-CE2 4.45Å; Y743-F847 AromaticContact CD1-CZ 3.63Å; Y743-F847 HydrophobicContact CD1-CZ 3.63Å; Y743-F847 AromaticContact CD2-CD1 3.87Å; Y743-F847 HydrophobicContact CD2-CD1 3.87Å; Y743-F847 HydrophobicContact CD2-CD2 4.36Å; Y743-F847 AromaticContact CD2-CE1 3.93Å; Y743-F847 HydrophobicContact CD2-CE1 3.93Å; Y743-F847 HydrophobicContact CD2-CE2 4.4Å; Y743-F847 HydrophobicContact CD2-CG 4.09Å; Y743-F847 HydrophobicContact CD2-CZ 4.18Å; Y743-F847 AromaticContact CE1-CD1 3.88Å; Y743-F847 HydrophobicContact CE1-CD1 3.88Å; Y743-F847 AromaticContact CE1-CE1 3.2Å; Y743-F847 HydrophobicContact CE1-CE1 3.2Å; Y743-F847 AromaticContact CE1-CZ 3.76Å; Y743-F847 HydrophobicContact CE1-CZ 3.76Å; Y743-F847 HydrophobicContact CE2-CB 4.37Å; Y743-F847 AromaticContact CE2-CD1 3.32Å; Y743-F847 HydrophobicContact CE2-CD1 3.32Å; Y743-F847 AromaticContact CE2-CE1 3.56Å; Y743-F847 HydrophobicContact CE2-CE1 3.56Å; Y743-F847 AromaticContact CE2-CG 3.87Å; Y743-F847 HydrophobicContact CE2-CG 3.87Å; Y743-F847 HydrophobicContact CE2-CZ 4.28Å; Y743-F847 HydrophobicContact CG-CD1 4.35Å; Y743-F847 AromaticContact CG-CE1 3.93Å; Y743-F847 HydrophobicContact CG-CE1 3.93Å; Y743-F847 HydrophobicContact CG-CE2 4.23Å; Y743-F847 AromaticContact CG-CZ 3.85Å; Y743-F847 HydrophobicContact CG-CZ 3.85Å; Y743-F847 AromaticContact CZ-CD1 3.31Å; Y743-F847 AromaticContact CZ-CE1 3.17Å; Y743-E850 WeakPolarHBondContact CE2-OE2 3.37Å; Y743-E850 PolarHBondContact OH-OE2 2.97Å
744L89.2Confident83.3Confident18 Ų1871.1 Ų71.19%0.09435%0.351CS..SBendtrans-95.6-23.7175.7-61.4-176.6000112.5D742 L746 R749 L752 A765 D781D742-L744 PolarHBondContact OD1-N 2.92Å; L744-L746 HydrophobicContact CB-CD2 4.31Å; L744-L746 HydrophobicContact CB-CG 4.21Å; L744-L746 HydrophobicContact CD1-CD2 4.42Å; L744-R749 PolarHBondContact O-NE 3.33Å; L744-L752 HydrophobicContact CD1-CD1 4.11Å; L744-A765 HydrophobicContact CB-CB 4.29Å; L744-A765 HydrophobicContact CD1-CB 3.95Å; L744-A765 HydrophobicContact CG-CB 3.96Å; L744-D781 HydrophobicContact CD1-CB 3.86Å
745G86.3Confident83.7Confident28 Ų2872.9 Ų72.929%0.28936%0.357SS..  trans73.149.5-174.600000111.4D742 E747 Q748D742-G745 PolarHBondContact OD1-N 2.78Å; G745-E747 PolarHBondContact O-N 2.86Å; G745-E747 VanDerWaalsContact O-N 3.14Å; G745-Q748 PolarHBondContact O-N 3.34Å
746L83.7Confident84.2Confident1 Ų173.1 Ų73.11%0.00536%0.359CS..G310 helixtrans-60-24.3-174.4-67.9169.1000113.2D742 L744 Q748 R749 L752 R753 V762 A765 I783D742-L746 PolarHBondContact OD1-N 2.88Å; D742-L746 WeakPolarHBondContact OD2-CB 3.35Å; D742-L746 PolarHBondContact OD2-N 3.31Å; L744-L746 HydrophobicContact CB-CD2 4.31Å; L744-L746 HydrophobicContact CB-CG 4.21Å; L744-L746 HydrophobicContact CD1-CD2 4.42Å; L746-Q748 PolarHBondContact O-N 2.9Å; L746-R749 PolarHBondContact O-N 3.25Å; L746-R749 VanDerWaalsContact O-N 3.16Å; L746-L752 HydrophobicContact CD2-CB 3.38Å; L746-L752 HydrophobicContact CD2-CD1 3.57Å; L746-L752 HydrophobicContact CD2-CG 4.12Å; L746-R753 HydrophobicContact CB-CG 4.38Å; L746-R753 VanDerWaalsContact O-CD 3.24Å; L746-R753 WeakPolarHBondContact O-CD 3.31Å; L746-R753 WeakPolarHBondContact O-CG 3.19Å; L746-V762 HydrophobicContact CD1-CB 4.41Å; L746-V762 HydrophobicContact CD1-CG1 4.02Å; L746-V762 HydrophobicContact CD1-CG2 3.67Å; L746-A765 HydrophobicContact CD1-CB 3.65Å; L746-A765 HydrophobicContact CG-CB 4.37Å; L746-I783 HydrophobicContact CD1-CD1 3.85Å; L746-I783 HydrophobicContact CD1-CG1 4.2Å; L746-I783 HydrophobicContact CD1-CG2 4.14Å; L746-I783 HydrophobicContact CD2-CD1 3.97Å
747E77.4Confident84.5Confident166 Ų16672.1 Ų72.178%0.77636%0.36SS*.G310 helixtrans-58.8-27.4170.6-171.6157.7-114.700113.3G745G745-E747 PolarHBondContact O-N 2.86Å; G745-E747 VanDerWaalsContact O-N 3.14Å
748Q79.5Confident84.4Confident175 Ų17577.6 Ų77.682%0.81839%0.386SS*.G310 helixtrans-103.35178.8-59.1177.36.800113.1G745 L746G745-Q748 PolarHBondContact O-N 3.34Å; L746-Q748 PolarHBondContact O-N 2.9Å
749R84.6Confident84.4Confident109 Ų10983 Ų8341%0.41140%0.397SS..  trans-126.780.5-177.7-63.2-174.8-175.6-136.32.6111.8L744 L746 E751 L752 R753L744-R749 PolarHBondContact O-NE 3.33Å; L746-R749 PolarHBondContact O-N 3.25Å; L746-R749 VanDerWaalsContact O-N 3.16Å; R749-E751 PolarHBondContact O-N 3.1Å; R749-L752 HydrophobicContact CB-CB 4.5Å; R749-L752 HydrophobicContact CB-CD1 4.34Å; R749-L752 PolarHBondContact O-N 3.49Å; R749-R753 PolarHBondContact O-N 2.85Å
750P82Confident84.4Confident91 Ų9181.5 Ų81.559%0.59139%0.39SS*.Hα-helixtrans-60.6-27.3-179.325.9-34.9000113.4R753 Q754P750-R753 PolarHBondContact O-N 2.79Å; P750-Q754 PolarHBondContact O-N 3.28Å
751E84.1Confident84.6Confident102 Ų10284.6 Ų84.648%0.47739%0.392SS..Hα-helixtrans-61.2-47.4178.8-50.790.5154.700111.3R749 Q754 E808R749-E751 PolarHBondContact O-N 3.1Å; E751-Q754 WeakPolarHBondContact O-CG 3.29Å; E751-Q754 PolarHBondContact O-N 3.16Å; E751-Q754 PolarHBondContact O-NE2 2.81Å; E751-E808 VanDerWaalsContact CB-OE2 3.22Å; E751-E808 WeakPolarHBondContact CB-OE2 3.15Å
752L84.4Confident84.8Confident0 Ų085.6 Ų85.60%040%0.396CS..Hα-helixtrans-70.8-32.7177-70.3172.8000112L744 L746 R749 Q754 F755 D781 I792 E808L744-L752 HydrophobicContact CD1-CD1 4.11Å; L746-L752 HydrophobicContact CD2-CB 3.38Å; L746-L752 HydrophobicContact CD2-CD1 3.57Å; L746-L752 HydrophobicContact CD2-CG 4.12Å; R749-L752 HydrophobicContact CB-CB 4.5Å; R749-L752 HydrophobicContact CB-CD1 4.34Å; R749-L752 PolarHBondContact O-N 3.49Å; L752-Q754 PolarHBondContact O-N 3.39Å; L752-F755 PolarHBondContact O-N 3.24Å; L752-D781 HydrophobicContact CD2-CB 4.46Å; L752-I792 HydrophobicContact CD2-CB 4.26Å; L752-I792 HydrophobicContact CD2-CD1 3.76Å; L752-I792 HydrophobicContact CD2-CG2 3.82Å; L752-E808 VanDerWaalsContact CD2-CD 3.41Å; L752-E808 HydrophobicContact CD2-CG 4.37Å; L752-E808 WeakPolarHBondContact CD2-OE1 3.43Å; L752-E808 VanDerWaalsContact CD2-OE2 3.26Å; L752-E808 WeakPolarHBondContact CD2-OE2 3.34Å; L752-E808 WeakPolarHBondContact CG-OE1 3.29Å; L752-E808 WeakPolarHBondContact CG-OE2 3.31Å; L752-E808 PolarHBondContact N-OE2 3.36Å
753R84.7Confident84.8Confident98 Ų9883.9 Ų83.937%0.3739%0.386SS..Hα-helixtrans-67.8-21.2177.9-63.8-164.794.7146.57113.3L746 R749 P750 F755 L756L746-R753 HydrophobicContact CB-CG 4.38Å; L746-R753 VanDerWaalsContact O-CD 3.24Å; L746-R753 WeakPolarHBondContact O-CD 3.31Å; L746-R753 WeakPolarHBondContact O-CG 3.19Å; R749-R753 PolarHBondContact O-N 2.85Å; P750-R753 PolarHBondContact O-N 2.79Å; R753-F755 PolarHBondContact O-N 2.94Å; R753-F755 VanDerWaalsContact O-N 3.13Å; R753-L756 PolarHBondContact O-N 3.42Å
754Q86.1Confident85Confident132 Ų13280.9 Ų80.962%0.61737%0.374SS*.THydrogen-bonded Turntrans-61.9-21-179.891.5-167.6-74.300113.4P750 E751 L752P750-Q754 PolarHBondContact O-N 3.28Å; E751-Q754 WeakPolarHBondContact O-CG 3.29Å; E751-Q754 PolarHBondContact O-N 3.16Å; E751-Q754 PolarHBondContact O-NE2 2.81Å; L752-Q754 PolarHBondContact O-N 3.39Å
755F87.6Confident85.3Confident49 Ų4980 Ų8022%0.21537%0.37CS..THydrogen-bonded Turntrans-89-2.4178.6-55.3-70.4000113.9L752 R753 Y790 I792 E808 L810L752-F755 PolarHBondContact O-N 3.24Å; R753-F755 PolarHBondContact O-N 2.94Å; R753-F755 VanDerWaalsContact O-N 3.13Å; F755-Y790 WeakPolarHBondContact O-CE1 3.49Å; F755-I792 HydrophobicContact CB-CD1 4.19Å; F755-I792 HydrophobicContact CD2-CD1 3.62Å; F755-I792 HydrophobicContact CD2-CG1 4.04Å; F755-I792 HydrophobicContact CD2-CG2 4.39Å; F755-I792 HydrophobicContact CE2-CD1 4.42Å; F755-I792 HydrophobicContact CE2-CG2 4.16Å; F755-I792 HydrophobicContact CG-CD1 4.19Å; F755-I792 HydrophobicContact CG-CG1 4.41Å; F755-E808 HydrophobicContact CE2-CB 3.96Å; F755-E808 HydrophobicContact CZ-CB 4.3Å; F755-E808 WeakPolarHBondContact CZ-O 3.25Å; F755-L810 HydrophobicContact CD1-CB 3.73Å; F755-L810 HydrophobicContact CE1-CB 4.11Å; F755-L810 HydrophobicContact CG-CB 4.28Å
756L88Confident85.7Confident20 Ų2079.5 Ų79.511%0.10536%0.361CS..SBendtrans-110.5159.1179.7-50.2-179.5000110.1R753 E760 V762 I783 T785 Y790R753-L756 PolarHBondContact O-N 3.42Å; L756-E760 HydrophobicContact CB-CB 4.43Å; L756-V762 HydrophobicContact CD1-CG2 3.9Å; L756-I783 HydrophobicContact CD1-CG2 4.3Å; L756-I783 HydrophobicContact CD2-CG2 4.4Å; L756-T785 HydrophobicContact CD2-CG2 4.14Å; L756-Y790 HydrophobicContact CD2-CD1 3.92Å; L756-Y790 HydrophobicContact CD2-CD2 3.88Å; L756-Y790 HydrophobicContact CD2-CE1 3.91Å; L756-Y790 HydrophobicContact CD2-CE2 3.93Å; L756-Y790 HydrophobicContact CD2-CG 3.91Å
757A82.6Confident86.2Confident45 Ų4581.5 Ų81.537%0.37238%0.375SS..  trans-73160.2177.200000112.6R759 E760A757-R759 PolarHBondContact O-N 3.18Å; A757-E760 HydrophobicContact CB-CB 4.25Å; A757-E760 WeakPolarHBondContact CB-OE2 3.17Å; A757-E760 PolarHBondContact N-OE2 2.78Å; A757-E760 VanDerWaalsContact N-OE2 3.12Å; A757-E760 WeakPolarHBondContact O-CB 3.17Å; A757-E760 PolarHBondContact O-N 3.25Å
758K78.9Confident87.1Confident205 Ų20573.7 Ų73.789%0.89134%0.338SS*.THydrogen-bonded Turntrans-56.1124.1177.5-165.8173.4-173.9175.20110.8E760K758-E760 PolarHBondContact O-N 3.15Å
759R78.2Confident87.8Confident242 Ų24266 Ų6691%0.91330%0.303SS*.THydrogen-bonded Turntrans59.321.3-174.1-60.2-179.7175.1168.4-2.2115.2A757 R761A757-R759 PolarHBondContact O-N 3.18Å; R759-R761 PolarHBondContact O-N 3.33Å
760E85.5Confident88.3Confident13 Ų1362.7 Ų62.76%0.06129%0.292CS..PPolyproline II helixtrans-65.7131.4174.7-167.8159.5153.600111.4L756 A757 K758 T785 K787 Y790L756-E760 HydrophobicContact CB-CB 4.43Å; A757-E760 HydrophobicContact CB-CB 4.25Å; A757-E760 WeakPolarHBondContact CB-OE2 3.17Å; A757-E760 PolarHBondContact N-OE2 2.78Å; A757-E760 VanDerWaalsContact N-OE2 3.12Å; A757-E760 WeakPolarHBondContact O-CB 3.17Å; A757-E760 PolarHBondContact O-N 3.25Å; K758-E760 PolarHBondContact O-N 3.15Å; E760-T785 HydrophobicContact CG-CG2 4.25Å; E760-T785 WeakPolarHBondContact OE1-CB 3.4Å; E760-T785 PolarHBondContact OE1-OG1 2.95Å; E760-K787 WeakPolarHBondContact OE2-CD 3.47Å; E760-K787 VanDerWaalsContact OE2-CE 3.29Å; E760-K787 WeakPolarHBondContact OE2-CE 3.24Å; E760-K787 IonicContact OE2-NZ 2.7Å; E760-K787 PolarHBondContact OE2-NZ 2.95Å; E760-Y790 PolarHBondContact OE1-OH 3.11Å
761R87.8Confident88.9Confident161 Ų16158.8 Ų58.861%0.60827%0.266SS*.PPolyproline II helixtrans-76.3130176.4170.4176.1156.6163-2.1109.6R759 D763 T785 P786R759-R761 PolarHBondContact O-N 3.33Å; R761-D763 IonicContact CZ-OD1 2.82Å; R761-D763 IonicContact NE-OD1 3Å; R761-D763 PolarHBondContact NE-OD1 3.28Å; R761-D763 IonicContact NH2-OD1 3.62Å; R761-D763 PolarHBondContact NH2-OD1 2.81Å; R761-T785 WeakPolarHBondContact O-CB 3.31Å; R761-P786 WeakPolarHBondContact O-CD 3.46Å
762V90.4Very high89.1Confident31 Ų3156.5 Ų56.519%0.18826%0.257CS..PPolyproline II helixtrans-85.7136.3165.2177.50000108.2L746 L756 F764 A765 I783L746-V762 HydrophobicContact CD1-CB 4.41Å; L746-V762 HydrophobicContact CD1-CG1 4.02Å; L746-V762 HydrophobicContact CD1-CG2 3.67Å; L756-V762 HydrophobicContact CD1-CG2 3.9Å; V762-F764 WeakPolarHBondContact CG1-O 3.35Å; V762-A765 HydrophobicContact CG1-CB 4.18Å; V762-I783 HydrophobicContact CG1-CG2 4.06Å; V762-I783 HydrophobicContact CG2-CG2 4.19Å
763D90.2Very high89.1Confident12 Ų1262.3 Ų62.36%0.06428%0.279CS..SBendtrans-102.5-33169.6-70.2-54000111.8G741 R761 L784 P786 L854 R858G741-D763 VanDerWaalsContact CA-O 3.23Å; G741-D763 WeakPolarHBondContact CA-O 2.84Å; R761-D763 IonicContact CZ-OD1 2.82Å; R761-D763 IonicContact NE-OD1 3Å; R761-D763 PolarHBondContact NE-OD1 3.28Å; R761-D763 IonicContact NH2-OD1 3.62Å; R761-D763 PolarHBondContact NH2-OD1 2.81Å; D763-L784 PolarHBondContact N-O 2.85Å; D763-P786 WeakPolarHBondContact OD2-CD 3.28Å; D763-L854 WeakPolarHBondContact O-CD1 3.44Å; D763-R858 IonicContact OD1-CZ 2.68Å; D763-R858 IonicContact OD1-NH2 2.85Å; D763-R858 PolarHBondContact OD1-NH2 3.24Å; D763-R858 IonicContact OD2-CZ 2.91Å; D763-R858 IonicContact OD2-NE 2.67Å; D763-R858 PolarHBondContact OD2-NE 2.74Å; D763-R858 IonicContact OD2-NH2 2.94Å; D763-R858 PolarHBondContact OD2-NH2 3.5Å
764F94Very high89.2Confident0 Ų066.8 Ų66.80%030%0.296CS..EExtended strand (participates in β ladder)trans-150.9145.6174.9173.6-86.4000112G741 Y743 V762 D766 L782 I783 L784 F847 E850 F851 L854G741-F764 CarbonylContact O-C 3.49Å; G741-F764 VanDerWaalsContact O-CA 3.28Å; G741-F764 WeakPolarHBondContact O-CA 3.11Å; Y743-F764 HydrophobicContact CD2-CE2 4.17Å; Y743-F764 HydrophobicContact CE2-CE2 4.17Å; V762-F764 WeakPolarHBondContact CG1-O 3.35Å; F764-D766 HydrophobicContact CE1-CB 3.53Å; F764-D766 HydrophobicContact CE2-CB 4.39Å; F764-D766 HydrophobicContact CZ-CB 3.39Å; F764-L782 HydrophobicContact CE1-CD2 4.34Å; F764-I783 CarbonylContact O-C 3.59Å; F764-I783 WeakPolarHBondContact O-CA 3.21Å; F764-L784 HydrophobicContact CB-CB 4.1Å; F764-L784 HydrophobicContact CB-CD2 4.35Å; F764-L784 PolarHBondContact N-O 3.06Å; F764-L784 PolarHBondContact O-N 3.19Å; F764-F847 HydrophobicContact CE2-CB 3.71Å; F764-F847 HydrophobicContact CZ-CB 3.83Å; F764-E850 HydrophobicContact CD2-CG 4.12Å; F764-E850 HydrophobicContact CE2-CB 4.46Å; F764-E850 HydrophobicContact CE2-CG 4.39Å; F764-F851 HydrophobicContact CD1-CB 4.17Å; F764-F851 AromaticContact CD1-CD2 3.58Å; F764-F851 HydrophobicContact CD1-CD2 3.58Å; F764-F851 HydrophobicContact CD1-CE2 4.49Å; F764-F851 HydrophobicContact CD1-CG 4.31Å; F764-F851 HydrophobicContact CD2-CB 4.43Å; F764-F851 HydrophobicContact CE1-CB 3.85Å; F764-F851 AromaticContact CE1-CD2 3.75Å; F764-F851 HydrophobicContact CE1-CD2 3.75Å; F764-F851 HydrophobicContact CE1-CG 4.13Å; F764-F851 HydrophobicContact CE2-CB 4.13Å; F764-F851 HydrophobicContact CG-CB 4.43Å; F764-F851 HydrophobicContact CG-CD2 4.28Å; F764-F851 HydrophobicContact CZ-CB 3.82Å; F764-L854 HydrophobicContact CB-CD1 3.85Å
765A94.3Very high89.4Confident0 Ų061.3 Ų61.30%027%0.27CS..EExtended strand (participates in β ladder)trans-148.1131.2171.200000112.2G741 Y743 L744 L746 V762 L782 I783G741-A765 PolarHBondContact O-N 2.65Å; Y743-A765 WeakPolarHBondContact CA-O 3.35Å; Y743-A765 VanDerWaalsContact CB-O 3.31Å; Y743-A765 WeakPolarHBondContact CB-O 3.24Å; Y743-A765 PolarHBondContact N-O 3.14Å; L744-A765 HydrophobicContact CB-CB 4.29Å; L744-A765 HydrophobicContact CD1-CB 3.95Å; L744-A765 HydrophobicContact CG-CB 3.96Å; L746-A765 HydrophobicContact CD1-CB 3.65Å; L746-A765 HydrophobicContact CG-CB 4.37Å; V762-A765 HydrophobicContact CG1-CB 4.18Å; A765-L782 CarbonylContact C-O 3.55Å; A765-L782 VanDerWaalsContact CA-O 3.27Å; A765-L782 WeakPolarHBondContact CA-O 3.3Å; A765-I783 HydrophobicContact CB-CG1 4.21Å
766D95.4Very high89.5Confident17 Ų1765.9 Ų65.99%0.09129%0.289CS..EExtended strand (participates in β ladder)trans-151.5156.1-178.8178.533.9000112.4F764 V768 L782 S845 F847F764-D766 HydrophobicContact CE1-CB 3.53Å; F764-D766 HydrophobicContact CE2-CB 4.39Å; F764-D766 HydrophobicContact CZ-CB 3.39Å; D766-V768 HydrophobicContact CB-CG1 4.31Å; D766-V768 PolarHBondContact O-N 2.94Å; D766-V768 WeakPolarHBondContact OD2-CG1 3.33Å; D766-L782 PolarHBondContact N-O 2.55Å; D766-L782 PolarHBondContact O-N 3.15Å; D766-S845 WeakPolarHBondContact OD2-CB 3.28Å; D766-S845 PolarHBondContact OD2-OG 3.35Å; D766-F847 HydrophobicContact CB-CD2 4.42Å
767S94.3Very high89.7Confident44 Ų4468.1 Ų68.131%0.30831%0.307SS..EExtended strand (participates in β ladder)trans-9980.7179.4-156.70000111.9K779 R780 D781S767-K779 PolarHBondContact O-NZ 3.12Å; S767-R780 CarbonylContact C-O 3.58Å; S767-D781 VanDerWaalsContact CB-OD1 3.23Å; S767-D781 WeakPolarHBondContact CB-OD1 3.11Å; S767-D781 PolarHBondContact OG-OD1 2.93Å
768V95.6Very high90.2Very high1 Ų169.4 Ų69.41%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-77.9156.5-172.1-57.20000113.1D766 K779 R780 L782 L791 L843 E844D766-V768 HydrophobicContact CB-CG1 4.31Å; D766-V768 PolarHBondContact O-N 2.94Å; D766-V768 WeakPolarHBondContact OD2-CG1 3.33Å; V768-K779 WeakPolarHBondContact O-CA 3.23Å; V768-K779 VanDerWaalsContact O-CD 3.3Å; V768-K779 WeakPolarHBondContact O-CD 3.13Å; V768-R780 HydrophobicContact CG2-CB 4.25Å; V768-R780 WeakPolarHBondContact CG2-O 3.45Å; V768-R780 PolarHBondContact N-O 3.46Å; V768-R780 PolarHBondContact O-N 3.28Å; V768-L782 HydrophobicContact CB-CB 4.48Å; V768-L782 HydrophobicContact CG1-CB 3.86Å; V768-L782 HydrophobicContact CG1-CD2 3.68Å; V768-L782 HydrophobicContact CG1-CG 4.43Å; V768-L782 HydrophobicContact CG2-CB 3.77Å; V768-L782 HydrophobicContact CG2-CD2 4.34Å; V768-L791 HydrophobicContact CG2-CD2 4.46Å; V768-L843 HydrophobicContact CG2-CD2 4.01Å; V768-E844 WeakPolarHBondContact CA-O 3.49Å; V768-E844 WeakPolarHBondContact CB-O 3.43Å
769T95.8Very high90.9Very high13 Ų1365.3 Ų65.38%0.0829%0.289CS..EExtended strand (participates in β ladder)trans-90.9121.6167.9-40.90000108.8F771 K779 L843 E844T769-F771 HydrophobicContact CG2-CE2 3.89Å; T769-F771 HydrophobicContact CG2-CZ 3.89Å; T769-K779 PolarHBondContact OG1-NZ 3.09Å; T769-L843 CarbonylContact O-C 3.51Å; T769-L843 WeakPolarHBondContact O-CA 3.16Å; T769-E844 WeakPolarHBondContact CB-OE2 3.48Å; T769-E844 PolarHBondContact N-O 2.65Å; T769-E844 PolarHBondContact O-N 3.07Å; T769-E844 PolarHBondContact OG1-OE2 2.84Å
770K94.8Very high91.7Very high41 Ų4155.5 Ų55.518%0.17825%0.252CS..EExtended strand (participates in β ladder)trans-100.8142.2170-177.2169.1-176.6170.20110.5S777 I778 R780 S841 L843K770-S777 CarbonylContact O-C 3.59Å; K770-S777 WeakPolarHBondContact O-CA 3.27Å; K770-I778 PolarHBondContact N-O 3.28Å; K770-I778 PolarHBondContact O-N 3.43Å; K770-R780 HydrophobicContact CB-CG 3.88Å; K770-S841 PolarHBondContact NZ-OG 2.83Å; K770-L843 HydrophobicContact CB-CD2 3.66Å; K770-L843 HydrophobicContact CD-CD2 4.19Å; K770-L843 HydrophobicContact CG-CD2 3.83Å
771F93.3Very high92.2Very high9 Ų955.8 Ų55.84%0.03925%0.254CS..EExtended strand (participates in β ladder)trans-105144.9175.9-65.3-94.2000111.7T769 K776 F831 L842 E844 L904T769-F771 HydrophobicContact CG2-CE2 3.89Å; T769-F771 HydrophobicContact CG2-CZ 3.89Å; F771-K776 WeakPolarHBondContact CA-O 3.49Å; F771-F831 HydrophobicContact CD2-CE1 4.11Å; F771-F831 HydrophobicContact CE1-CE1 4.41Å; F771-F831 HydrophobicContact CE2-CD1 4.18Å; F771-F831 AromaticContact CE2-CE1 3.41Å; F771-F831 HydrophobicContact CE2-CE1 3.41Å; F771-F831 VanDerWaalsContact CE2-CE1 3.41Å; F771-F831 HydrophobicContact CE2-CZ 4.11Å; F771-F831 AromaticContact CZ-CE1 3.59Å; F771-F831 HydrophobicContact CZ-CE1 3.59Å; F771-F831 AromaticContact CZ-CZ 3.97Å; F771-F831 HydrophobicContact CZ-CZ 3.97Å; F771-L842 HydrophobicContact CB-CB 4.36Å; F771-L842 HydrophobicContact CB-CD2 3.82Å; F771-L842 HydrophobicContact CB-CG 4.06Å; F771-L842 HydrophobicContact CD2-CD2 4.42Å; F771-L842 HydrophobicContact CD2-CG 4.13Å; F771-L842 HydrophobicContact CG-CD2 4.2Å; F771-L842 HydrophobicContact CG-CG 4.35Å; F771-L842 PolarHBondContact N-O 2.98Å; F771-L842 VanDerWaalsContact N-O 3.14Å; F771-E844 HydrophobicContact CE2-CB 4.06Å; F771-L904 HydrophobicContact CE1-CD1 3.76Å; F771-L904 HydrophobicContact CZ-CD1 4.05Å
772D88.7Confident92.5Very high53 Ų5348.1 Ų48.128%0.28323%0.225SC..  trans-98.6-175.4179.890.8-18.4000113.7R774 F775 K776D772-R774 PolarHBondContact O-N 2.86Å; D772-R774 VanDerWaalsContact O-N 3.11Å; D772-R774 VanDerWaalsContact OD1-C 3.28Å; D772-R774 VanDerWaalsContact OD1-CA 3.31Å; D772-R774 WeakPolarHBondContact OD1-CA 3.28Å; D772-R774 WeakPolarHBondContact OD1-CB 3.45Å; D772-R774 PolarHBondContact OD1-N 3.36Å; D772-F775 PolarHBondContact O-N 2.83Å; D772-F775 PolarHBondContact OD1-N 2.93Å; D772-K776 PolarHBondContact N-O 3.49Å; D772-K776 PolarHBondContact OD1-N 3.31Å
773R85.6Confident92.8Very high122 Ų12246.7 Ų46.746%0.4622%0.216SC..THydrogen-bonded Turntrans-65.9-8.4-179.971.5178176.4149.8-5.8115.8V879 R890R773-V879 HydrophobicContact CB-CG1 3.5Å; R773-V879 VanDerWaalsContact CB-CG1 3.5Å; R773-V879 HydrophobicContact CB-CG2 4.47Å; R773-R890 PolarHBondContact O-NE 3.24Å; R773-R890 PolarHBondContact O-NH2 3.42Å
774R86.3Confident93Very high193 Ų19346.1 Ų46.173%0.72821%0.213SC*.THydrogen-bonded Turntrans-114.611.3174.8-61.9-177174-177.2-2.7111.3D772 K776D772-R774 PolarHBondContact O-N 2.86Å; D772-R774 VanDerWaalsContact O-N 3.11Å; D772-R774 VanDerWaalsContact OD1-C 3.28Å; D772-R774 VanDerWaalsContact OD1-CA 3.31Å; D772-R774 WeakPolarHBondContact OD1-CA 3.28Å; D772-R774 WeakPolarHBondContact OD1-CB 3.45Å; D772-R774 PolarHBondContact OD1-N 3.36Å; R774-K776 PolarHBondContact O-N 2.9Å
775F90.4Very high93Very high16 Ų1646.1 Ų46.17%0.0721%0.213CC..  trans59.923.3-174.4-49.6-66.9000114.8D772 F877 R890 P906 K909 T910 L911D772-F775 PolarHBondContact O-N 2.83Å; D772-F775 PolarHBondContact OD1-N 2.93Å; F775-F877 HydrophobicContact CD1-CZ 4.46Å; F775-F877 AromaticContact CE1-CE1 3.95Å; F775-F877 HydrophobicContact CE1-CE1 3.95Å; F775-F877 AromaticContact CE1-CZ 3.95Å; F775-F877 HydrophobicContact CE1-CZ 3.95Å; F775-R890 HydrophobicContact CE1-CB 4.04Å; F775-R890 HydrophobicContact CE1-CG 4.34Å; F775-R890 HydrophobicContact CZ-CB 3.96Å; F775-R890 HydrophobicContact CZ-CG 4.12Å; F775-P906 HydrophobicContact CB-CB 4.3Å; F775-P906 HydrophobicContact CD2-CB 4.05Å; F775-K909 WeakPolarHBondContact CZ-O 3.39Å; F775-T910 WeakPolarHBondContact CE2-O 3.23Å; F775-L911 HydrophobicContact CB-CD1 4.26Å; F775-L911 HydrophobicContact CB-CD2 4.24Å; F775-L911 HydrophobicContact CD1-CB 3.59Å; F775-L911 HydrophobicContact CD1-CD2 3.83Å; F775-L911 HydrophobicContact CD1-CG 4.25Å; F775-L911 HydrophobicContact CD2-CB 4Å; F775-L911 HydrophobicContact CE1-CB 3.56Å; F775-L911 HydrophobicContact CE1-CD2 4.44Å; F775-L911 HydrophobicContact CE2-CB 3.98Å; F775-L911 HydrophobicContact CG-CB 3.78Å; F775-L911 HydrophobicContact CG-CD1 4.38Å; F775-L911 HydrophobicContact CG-CD2 4.19Å; F775-L911 HydrophobicContact CG-CG 4.34Å; F775-L911 HydrophobicContact CZ-CB 3.74Å
776K90.1Very high92.8Very high145 Ų14548.5 Ų48.563%0.6323%0.229SC*.  trans-75.6130.2171.2-170.4170.6-176173.20109.7F771 D772 R774F771-K776 WeakPolarHBondContact CA-O 3.49Å; D772-K776 PolarHBondContact N-O 3.49Å; D772-K776 PolarHBondContact OD1-N 3.31Å; R774-K776 PolarHBondContact O-N 2.9Å
777S91.8Very high92.6Very high68 Ų6852.9 Ų52.948%0.47625%0.247SC..EExtended strand (participates in β ladder)trans-76.1139.6175.3460000111.9K770K770-S777 CarbonylContact O-C 3.59Å; K770-S777 WeakPolarHBondContact O-CA 3.27Å
778I93.1Very high92.5Very high72 Ų7250.8 Ų50.837%0.36923%0.232SC..EExtended strand (participates in β ladder)trans-145.1130.1176-42.6177.7000108.3K770K770-I778 PolarHBondContact N-O 3.28Å; K770-I778 PolarHBondContact O-N 3.43Å
779K93.9Very high92.5Very high119 Ų11950.7 Ų50.752%0.51723%0.232SC..EExtended strand (participates in β ladder)trans-68.4142.2175-76-59.5-167.2-178.20112.5S767 V768 T769S767-K779 PolarHBondContact O-NZ 3.12Å; V768-K779 WeakPolarHBondContact O-CA 3.23Å; V768-K779 VanDerWaalsContact O-CD 3.3Å; V768-K779 WeakPolarHBondContact O-CD 3.13Å; T769-K779 PolarHBondContact OG1-NZ 3.09Å
780R94.6Very high92.5Very high36 Ų3650.7 Ų50.714%0.13623%0.23CC..EExtended strand (participates in β ladder)trans-143.9141.6177.5-69.7-66.2174.8-10611.1108.9S767 V768 K770 L791 I792S767-R780 CarbonylContact C-O 3.58Å; V768-R780 HydrophobicContact CG2-CB 4.25Å; V768-R780 WeakPolarHBondContact CG2-O 3.45Å; V768-R780 PolarHBondContact N-O 3.46Å; V768-R780 PolarHBondContact O-N 3.28Å; K770-R780 HydrophobicContact CB-CG 3.88Å; R780-L791 HydrophobicContact CB-CD2 4.18Å; R780-I792 WeakPolarHBondContact CA-O 3.32Å; R780-I792 WeakPolarHBondContact CD-O 3.46Å
781D94.9Very high92.4Very high19 Ų1948.9 Ų48.910%0.10222%0.223CC..EExtended strand (participates in β ladder)trans-92.7118.2174.6-57.4-55.4000107.8L744 L752 S767 L791 I792L744-D781 HydrophobicContact CD1-CB 3.86Å; L752-D781 HydrophobicContact CD2-CB 4.46Å; S767-D781 VanDerWaalsContact CB-OD1 3.23Å; S767-D781 WeakPolarHBondContact CB-OD1 3.11Å; S767-D781 PolarHBondContact OG-OD1 2.93Å; D781-L791 WeakPolarHBondContact O-CA 3.47Å; D781-I792 HydrophobicContact CB-CB 4.44Å; D781-I792 PolarHBondContact N-O 2.95Å; D781-I792 PolarHBondContact O-N 3.01Å
782L96Very high92.4Very high0 Ų048.4 Ų48.40%022%0.221CC..EExtended strand (participates in β ladder)trans-102.9114.5-174.4171.966.3000108.3F764 A765 D766 V768 I789 Y790 L791 F832 F851F764-L782 HydrophobicContact CE1-CD2 4.34Å; A765-L782 CarbonylContact C-O 3.55Å; A765-L782 VanDerWaalsContact CA-O 3.27Å; A765-L782 WeakPolarHBondContact CA-O 3.3Å; D766-L782 PolarHBondContact N-O 2.55Å; D766-L782 PolarHBondContact O-N 3.15Å; V768-L782 HydrophobicContact CB-CB 4.48Å; V768-L782 HydrophobicContact CG1-CB 3.86Å; V768-L782 HydrophobicContact CG1-CD2 3.68Å; V768-L782 HydrophobicContact CG1-CG 4.43Å; V768-L782 HydrophobicContact CG2-CB 3.77Å; V768-L782 HydrophobicContact CG2-CD2 4.34Å; L782-I789 HydrophobicContact CD1-CG2 3.33Å; L782-Y790 WeakPolarHBondContact CA-O 3.37Å; L782-L791 HydrophobicContact CB-CD2 4.16Å; L782-L791 HydrophobicContact CD1-CD2 3.77Å; L782-L791 HydrophobicContact CD1-CG 4.36Å; L782-F832 HydrophobicContact CD2-CZ 4.32Å; L782-F851 HydrophobicContact CD1-CE2 4.13Å; L782-F851 HydrophobicContact CD1-CZ 4.25Å; L782-F851 HydrophobicContact CD2-CD2 3.99Å; L782-F851 HydrophobicContact CD2-CE1 4.34Å; L782-F851 HydrophobicContact CD2-CE2 3.78Å; L782-F851 HydrophobicContact CD2-CG 4.35Å; L782-F851 HydrophobicContact CD2-CZ 3.96Å; L782-F851 HydrophobicContact CG-CD2 4.5Å; L782-F851 HydrophobicContact CG-CE2 4.06Å; L782-F851 HydrophobicContact CG-CZ 4.49Å
783I95.6Very high92.6Very high0 Ų046 Ų460%021%0.208CC..EExtended strand (participates in β ladder)trans-117.2134.2178.3-51.9175.2000109.1L746 L756 V762 F764 A765 T785 I789 Y790 I792L746-I783 HydrophobicContact CD1-CD1 3.85Å; L746-I783 HydrophobicContact CD1-CG1 4.2Å; L746-I783 HydrophobicContact CD1-CG2 4.14Å; L746-I783 HydrophobicContact CD2-CD1 3.97Å; L756-I783 HydrophobicContact CD1-CG2 4.3Å; L756-I783 HydrophobicContact CD2-CG2 4.4Å; V762-I783 HydrophobicContact CG1-CG2 4.06Å; V762-I783 HydrophobicContact CG2-CG2 4.19Å; F764-I783 CarbonylContact O-C 3.59Å; F764-I783 WeakPolarHBondContact O-CA 3.21Å; A765-I783 HydrophobicContact CB-CG1 4.21Å; I783-T785 HydrophobicContact CG2-CG2 4.15Å; I783-I789 CarbonylContact O-C 3.59Å; I783-I789 WeakPolarHBondContact O-CA 3.43Å; I783-Y790 PolarHBondContact N-O 2.82Å; I783-Y790 PolarHBondContact O-N 2.96Å; I783-I792 HydrophobicContact CD1-CD1 3.74Å
784L94.7Very high92.7Very high0 Ų044.9 Ų44.90%021%0.211CC..EExtended strand (participates in β ladder)trans-114128.8172.9175.669.1000109.2D763 F764 I789 F816 F851 L854 L855D763-L784 PolarHBondContact N-O 2.85Å; F764-L784 HydrophobicContact CB-CB 4.1Å; F764-L784 HydrophobicContact CB-CD2 4.35Å; F764-L784 PolarHBondContact N-O 3.06Å; F764-L784 PolarHBondContact O-N 3.19Å; L784-I789 HydrophobicContact CD1-CG1 3.85Å; L784-F816 HydrophobicContact CD1-CE1 3.8Å; L784-F816 HydrophobicContact CD1-CZ 3.76Å; L784-F851 HydrophobicContact CB-CE2 4.29Å; L784-F851 HydrophobicContact CD2-CD2 4.44Å; L784-F851 HydrophobicContact CD2-CE2 4.49Å; L784-L854 HydrophobicContact CD2-CB 3.59Å; L784-L855 HydrophobicContact CD1-CD1 4.4Å; L784-L855 HydrophobicContact CD2-CB 4.4Å
785T93.6Very high92.7Very high0 Ų040.1 Ų40.10%020%0.196CC..EExtended strand (participates in β ladder)trans-128.9171.2174.2780000109.8L756 E760 R761 I783 K787 G788 Y790 F816L756-T785 HydrophobicContact CD2-CG2 4.14Å; E760-T785 HydrophobicContact CG-CG2 4.25Å; E760-T785 WeakPolarHBondContact OE1-CB 3.4Å; E760-T785 PolarHBondContact OE1-OG1 2.95Å; R761-T785 WeakPolarHBondContact O-CB 3.31Å; I783-T785 HydrophobicContact CG2-CG2 4.15Å; T785-K787 PolarHBondContact O-N 2.89Å; T785-K787 PolarHBondContact OG1-N 2.82Å; T785-K787 VanDerWaalsContact OG1-N 3.09Å; T785-G788 PolarHBondContact N-O 2.91Å; T785-G788 PolarHBondContact O-N 3.44Å; T785-Y790 HydrophobicContact CG2-CD2 4.34Å; T785-Y790 HydrophobicContact CG2-CE2 3.99Å; T785-F816 WeakPolarHBondContact O-CZ 3.31Å
786P91.1Very high92.4Very high50 Ų5045.9 Ų45.933%0.32522%0.222SC..THydrogen-bonded Turntrans-59.5-7.9170.3-2434.1000115.3R761 D763R761-P786 WeakPolarHBondContact O-CD 3.46Å; D763-P786 WeakPolarHBondContact OD2-CD 3.28Å
787K89.6Confident92Very high109 Ų10940.6 Ų40.647%0.47420%0.201SC..THydrogen-bonded Turntrans-107.2-10.8179.6-57.6-171.6-167156.40114.6E760 T785E760-K787 WeakPolarHBondContact OE2-CD 3.47Å; E760-K787 VanDerWaalsContact OE2-CE 3.29Å; E760-K787 WeakPolarHBondContact OE2-CE 3.24Å; E760-K787 IonicContact OE2-NZ 2.7Å; E760-K787 PolarHBondContact OE2-NZ 2.95Å; T785-K787 PolarHBondContact O-N 2.89Å; T785-K787 PolarHBondContact OG1-N 2.82Å; T785-K787 VanDerWaalsContact OG1-N 3.09Å
788G93Very high91.4Very high0 Ų045.6 Ų45.60%021%0.214CC..EExtended strand (participates in β ladder)trans151.3-163.8177.700000114.2T785 M814 F816T785-G788 PolarHBondContact N-O 2.91Å; T785-G788 PolarHBondContact O-N 3.44Å; G788-M814 WeakPolarHBondContact CA-O 3.39Å; G788-F816 VanDerWaalsContact N-CE2 3.3Å
789I95.4Very high90.3Very high0 Ų051 Ų510%024%0.235CC..EExtended strand (participates in β ladder)trans-116.3131.6-177.7-52.7167.7000109.2L782 I783 L784 K813 M814 F816 I819 L834 F851 L855L782-I789 HydrophobicContact CD1-CG2 3.33Å; I783-I789 CarbonylContact O-C 3.59Å; I783-I789 WeakPolarHBondContact O-CA 3.43Å; L784-I789 HydrophobicContact CD1-CG1 3.85Å; I789-K813 CarbonylContact O-C 3.49Å; I789-K813 WeakPolarHBondContact O-CA 3.33Å; I789-M814 HydrophobicContact CB-CB 4.34Å; I789-M814 HydrophobicContact CB-CE 3.93Å; I789-M814 HydrophobicContact CD1-CE 4.46Å; I789-M814 HydrophobicContact CG2-CE 3.63Å; I789-M814 PolarHBondContact N-O 2.94Å; I789-M814 PolarHBondContact O-N 2.85Å; I789-F816 HydrophobicContact CG1-CE1 4.45Å; I789-I819 HydrophobicContact CD1-CD1 3.51Å; I789-I819 HydrophobicContact CG1-CD1 4.44Å; I789-L834 HydrophobicContact CD1-CD1 4.49Å; I789-L834 HydrophobicContact CD1-CD2 3.65Å; I789-F851 HydrophobicContact CD1-CZ 4.26Å; I789-L855 HydrophobicContact CD1-CD1 3.75Å; I789-L855 HydrophobicContact CD1-CD2 4.25Å; I789-L855 HydrophobicContact CG1-CD1 4.38Å
790Y95.2Very high89.6Confident12 Ų1247.8 Ų47.85%0.04724%0.236CC..EExtended strand (participates in β ladder)trans-115.4129.5-179.7-57.7-109000108.5F755 L756 E760 L782 I783 T785 L810 K813F755-Y790 WeakPolarHBondContact O-CE1 3.49Å; L756-Y790 HydrophobicContact CD2-CD1 3.92Å; L756-Y790 HydrophobicContact CD2-CD2 3.88Å; L756-Y790 HydrophobicContact CD2-CE1 3.91Å; L756-Y790 HydrophobicContact CD2-CE2 3.93Å; L756-Y790 HydrophobicContact CD2-CG 3.91Å; E760-Y790 PolarHBondContact OE1-OH 3.11Å; L782-Y790 WeakPolarHBondContact CA-O 3.37Å; I783-Y790 PolarHBondContact N-O 2.82Å; I783-Y790 PolarHBondContact O-N 2.96Å; T785-Y790 HydrophobicContact CG2-CD2 4.34Å; T785-Y790 HydrophobicContact CG2-CE2 3.99Å; Y790-L810 HydrophobicContact CD1-CD1 3.99Å; Y790-K813 HydrophobicContact CD1-CG 4.28Å; Y790-K813 HydrophobicContact CE1-CD 4.21Å; Y790-K813 HydrophobicContact CE1-CG 4.06Å
791L93.8Very high88.3Confident3 Ų352.9 Ų52.92%0.01627%0.274CS..EExtended strand (participates in β ladder)trans-111.7103.9169.8-76.4171.2000108.1V768 R780 D781 L782 K811 R812 M814 L843V768-L791 HydrophobicContact CG2-CD2 4.46Å; R780-L791 HydrophobicContact CB-CD2 4.18Å; D781-L791 WeakPolarHBondContact O-CA 3.47Å; L782-L791 HydrophobicContact CB-CD2 4.16Å; L782-L791 HydrophobicContact CD1-CD2 3.77Å; L782-L791 HydrophobicContact CD1-CG 4.36Å; L791-K811 WeakPolarHBondContact O-CA 3.2Å; L791-K811 WeakPolarHBondContact O-CB 3.35Å; L791-K811 PolarHBondContact O-N 3.22Å; L791-R812 HydrophobicContact CB-CB 4.2Å; L791-R812 HydrophobicContact CD1-CB 4.35Å; L791-R812 PolarHBondContact N-O 3Å; L791-R812 PolarHBondContact O-N 3.05Å; L791-R812 VanDerWaalsContact O-N 3.17Å; L791-M814 HydrophobicContact CD1-CE 3.86Å; L791-M814 HydrophobicContact CG-CE 4.17Å; L791-L843 HydrophobicContact CD2-CD2 4.46Å
792I94Very high87.4Confident0 Ų055.6 Ų55.60%029%0.286CS..EExtended strand (participates in β ladder)trans-94.4151175.9-60.8160.7000108.7L752 F755 R780 D781 I783 E808 L810L752-I792 HydrophobicContact CD2-CB 4.26Å; L752-I792 HydrophobicContact CD2-CD1 3.76Å; L752-I792 HydrophobicContact CD2-CG2 3.82Å; F755-I792 HydrophobicContact CB-CD1 4.19Å; F755-I792 HydrophobicContact CD2-CD1 3.62Å; F755-I792 HydrophobicContact CD2-CG1 4.04Å; F755-I792 HydrophobicContact CD2-CG2 4.39Å; F755-I792 HydrophobicContact CE2-CD1 4.42Å; F755-I792 HydrophobicContact CE2-CG2 4.16Å; F755-I792 HydrophobicContact CG-CD1 4.19Å; F755-I792 HydrophobicContact CG-CG1 4.41Å; R780-I792 WeakPolarHBondContact CA-O 3.32Å; R780-I792 WeakPolarHBondContact CD-O 3.46Å; D781-I792 HydrophobicContact CB-CB 4.44Å; D781-I792 PolarHBondContact N-O 2.95Å; D781-I792 PolarHBondContact O-N 3.01Å; I783-I792 HydrophobicContact CD1-CD1 3.74Å; I792-E808 HydrophobicContact CG2-CB 4.01Å; I792-L810 HydrophobicContact CG1-CD1 4.07Å
793G91.1Very high86.3Confident1 Ų163.1 Ų63.11%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-159.2144.7176.700000113.3V809G793-V809 PolarHBondContact N-O 2.92Å; G793-V809 PolarHBondContact O-N 2.85Å
794L88.6Confident85.3Confident100 Ų10065.1 Ų65.152%0.52434%0.339SS..EExtended strand (participates in β ladder)trans-67.8137.6-179.6-58.7178.1000112.4I806 K807 E808L794-I806 HydrophobicContact CB-CG2 3.74Å; L794-I806 HydrophobicContact CD1-CG2 4.24Å; L794-I806 HydrophobicContact CD2-CG2 4.01Å; L794-I806 HydrophobicContact CG-CG2 4.21Å; L794-K807 WeakPolarHBondContact CA-O 3.27Å; L794-E808 HydrophobicContact CD2-CG 3.67Å
795E85.4Confident84.7Confident92 Ų9270.1 Ų70.143%0.4336%0.362SS..EExtended strand (participates in β ladder)trans-140.7147.5170.6-109.3173.8-152.700111.8I806 K807 V809 K811E795-I806 WeakPolarHBondContact O-CA 3.41Å; E795-K807 PolarHBondContact N-O 2.83Å; E795-K807 PolarHBondContact O-N 2.82Å; E795-V809 HydrophobicContact CB-CG2 4.34Å; E795-K811 WeakPolarHBondContact OE1-CE 3.48Å; E795-K811 IonicContact OE1-NZ 2.69Å; E795-K811 PolarHBondContact OE1-NZ 3.07Å; E795-K811 IonicContact OE2-NZ 3.58Å; E795-K811 PolarHBondContact OE2-NZ 2.96Å
796K84.3Confident84.1Confident138 Ų13875 Ų7560%0.639%0.388SS*.EExtended strand (participates in β ladder)trans-79.1126.4171-71.4-170.6176.3-168.10110.2K798 Q805 I806K796-K798 WeakPolarHBondContact O-CG 3.31Å; K796-K798 PolarHBondContact O-N 3.43Å; K796-Q805 CarbonylContact C-O 3.55Å; K796-Q805 VanDerWaalsContact CA-O 3.31Å; K796-Q805 WeakPolarHBondContact CA-O 3.08Å; K796-I806 HydrophobicContact CG-CG1 3.73Å
797V81.5Confident83.8Confident34 Ų3476.6 Ų76.621%0.20639%0.39CS..  trans-61.3123.7175.1177.40000109.4K799 E802 K803 G804 Q805 K807V797-K799 WeakPolarHBondContact CG1-O 3.44Å; V797-E802 HydrophobicContact CG1-CB 4.22Å; V797-K803 WeakPolarHBondContact O-CA 3.43Å; V797-G804 PolarHBondContact O-N 3.14Å; V797-Q805 PolarHBondContact N-O 3.06Å; V797-K807 HydrophobicContact CG2-CB 4.35Å; V797-K807 HydrophobicContact CG2-CD 4.18Å; V797-K807 HydrophobicContact CG2-CG 4.16Å
798K79.2Confident83.8Confident172 Ų17273.4 Ų73.475%0.74838%0.376SS*.  trans-96.7-18.5-170.9-63-177.1-178.5173.30114.8K796K796-K798 WeakPolarHBondContact O-CG 3.31Å; K796-K798 PolarHBondContact O-N 3.43Å
799K70.2Confident83.6Confident186 Ų18675.9 Ų75.981%0.80939%0.391SS*.SBendtrans-145.1158.2-176-64.8-173.3176.8-173.20109.5V797V797-K799 WeakPolarHBondContact CG1-O 3.44Å
800G78.9Confident83.5Confident52 Ų5278.9 Ų78.954%0.53641%0.407SS..SBendtrans89.4177.9-177.900000113.7E802 K803G800-E802 PolarHBondContact O-N 2.88Å; G800-K803 VanDerWaalsContact O-CB 3.28Å; G800-K803 WeakPolarHBondContact O-CB 3.27Å; G800-K803 PolarHBondContact O-N 3.21Å
801P67.8Low83.3Confident142 Ų14281.2 Ų81.292%0.92242%0.417SS*.THydrogen-bonded Turntrans-65.8-24.3-175.225.8-34.3000113.5K803P801-K803 PolarHBondContact O-N 2.84Å
802E76.2Confident83.2Confident76 Ų7682 Ų8236%0.35542%0.42SS..THydrogen-bonded Turntrans-84.210.6178.6-55.8178.9136.700113.4V797 G800 G804 Q805 K807V797-E802 HydrophobicContact CG1-CB 4.22Å; G800-E802 PolarHBondContact O-N 2.88Å; E802-G804 PolarHBondContact O-N 2.66Å; E802-Q805 HydrophobicContact CB-CG 4.4Å; E802-Q805 VanDerWaalsContact O-CB 3.29Å; E802-Q805 WeakPolarHBondContact O-CB 3.22Å; E802-Q805 WeakPolarHBondContact O-CG 3.23Å; E802-Q805 PolarHBondContact O-N 3.2Å; E802-K807 WeakPolarHBondContact OE1-CE 3.3Å; E802-K807 IonicContact OE1-NZ 2.72Å; E802-K807 PolarHBondContact OE1-NZ 2.9Å; E802-K807 WeakPolarHBondContact OE2-CE 3.44Å; E802-K807 IonicContact OE2-NZ 3.47Å; E802-K807 PolarHBondContact OE2-NZ 3.05Å
803K72.8Confident83.1Confident158 Ų15886.1 Ų86.169%0.68744%0.438SS*.THydrogen-bonded Turntrans-52.7121.4-174.7179.2-174.8177.1-168.80111.7V797 G800 P801V797-K803 WeakPolarHBondContact O-CA 3.43Å; G800-K803 VanDerWaalsContact O-CB 3.28Å; G800-K803 WeakPolarHBondContact O-CB 3.27Å; G800-K803 PolarHBondContact O-N 3.21Å; P801-K803 PolarHBondContact O-N 2.84Å
804G74.4Confident83.2Confident42 Ų4286.1 Ų86.143%0.43344%0.438SS..THydrogen-bonded Turntrans101.2-22.4-178.300000114.7V797 E802V797-G804 PolarHBondContact O-N 3.14Å; E802-G804 PolarHBondContact O-N 2.66Å
805Q81.8Confident83.4Confident105 Ų10585.8 Ų85.849%0.49143%0.433SS..  trans-60.7146.5171.2-66.4-175.12.500110.7K796 V797 E802K796-Q805 CarbonylContact C-O 3.55Å; K796-Q805 VanDerWaalsContact CA-O 3.31Å; K796-Q805 WeakPolarHBondContact CA-O 3.08Å; V797-Q805 PolarHBondContact N-O 3.06Å; E802-Q805 HydrophobicContact CB-CG 4.4Å; E802-Q805 VanDerWaalsContact O-CB 3.29Å; E802-Q805 WeakPolarHBondContact O-CB 3.22Å; E802-Q805 WeakPolarHBondContact O-CG 3.23Å; E802-Q805 PolarHBondContact O-N 3.2Å
806I81.8Confident83.8Confident103 Ų10381.6 Ų81.653%0.52841%0.414SS..EExtended strand (participates in β ladder)trans-92.5121.1172.5-63.9167.8000107.5L794 E795 K796L794-I806 HydrophobicContact CB-CG2 3.74Å; L794-I806 HydrophobicContact CD1-CG2 4.24Å; L794-I806 HydrophobicContact CD2-CG2 4.01Å; L794-I806 HydrophobicContact CG-CG2 4.21Å; E795-I806 WeakPolarHBondContact O-CA 3.41Å; K796-I806 HydrophobicContact CG-CG1 3.73Å
807K85.5Confident84.1Confident84 Ų8479.1 Ų79.137%0.36542%0.419SS..EExtended strand (participates in β ladder)trans-118.4151172-75.3-168.4170.2-177.70111.3L794 E795 V797 E802L794-K807 WeakPolarHBondContact CA-O 3.27Å; E795-K807 PolarHBondContact N-O 2.83Å; E795-K807 PolarHBondContact O-N 2.82Å; V797-K807 HydrophobicContact CG2-CB 4.35Å; V797-K807 HydrophobicContact CG2-CD 4.18Å; V797-K807 HydrophobicContact CG2-CG 4.16Å; E802-K807 WeakPolarHBondContact OE1-CE 3.3Å; E802-K807 IonicContact OE1-NZ 2.72Å; E802-K807 PolarHBondContact OE1-NZ 2.9Å; E802-K807 WeakPolarHBondContact OE2-CE 3.44Å; E802-K807 IonicContact OE2-NZ 3.47Å; E802-K807 PolarHBondContact OE2-NZ 3.05Å
808E88.3Confident84.6Confident41 Ų4180.8 Ų80.819%0.19243%0.427CS..EExtended strand (participates in β ladder)trans-69.2138167.8-66.8176.6168.700109.8E751 L752 F755 I792 L794E751-E808 VanDerWaalsContact CB-OE2 3.22Å; E751-E808 WeakPolarHBondContact CB-OE2 3.15Å; L752-E808 VanDerWaalsContact CD2-CD 3.41Å; L752-E808 HydrophobicContact CD2-CG 4.37Å; L752-E808 WeakPolarHBondContact CD2-OE1 3.43Å; L752-E808 VanDerWaalsContact CD2-OE2 3.26Å; L752-E808 WeakPolarHBondContact CD2-OE2 3.34Å; L752-E808 WeakPolarHBondContact CG-OE1 3.29Å; L752-E808 WeakPolarHBondContact CG-OE2 3.31Å; L752-E808 PolarHBondContact N-OE2 3.36Å; F755-E808 HydrophobicContact CE2-CB 3.96Å; F755-E808 HydrophobicContact CZ-CB 4.3Å; F755-E808 WeakPolarHBondContact CZ-O 3.25Å; I792-E808 HydrophobicContact CG2-CB 4.01Å; L794-E808 HydrophobicContact CD2-CG 3.67Å
809V89.9Confident85.3Confident53 Ų5372.7 Ų72.732%0.32139%0.392SS..EExtended strand (participates in β ladder)trans-140.9129.8177.7-177.90000108.9G793 E795 K811G793-V809 PolarHBondContact N-O 2.92Å; G793-V809 PolarHBondContact O-N 2.85Å; E795-V809 HydrophobicContact CB-CG2 4.34Å; V809-K811 HydrophobicContact CB-CD 4.44Å; V809-K811 HydrophobicContact CG1-CD 4.32Å; V809-K811 WeakPolarHBondContact O-CG 3.44Å; V809-K811 PolarHBondContact O-N 3.43Å; V809-K811 VanDerWaalsContact O-N 3.16Å
810L92.3Very high86.3Confident62 Ų6268 Ų6833%0.32538%0.378SS..EExtended strand (participates in β ladder)trans-60116.1170.8-177.562.1000109.9F755 Y790 I792 R812F755-L810 HydrophobicContact CD1-CB 3.73Å; F755-L810 HydrophobicContact CE1-CB 4.11Å; F755-L810 HydrophobicContact CG-CB 4.28Å; Y790-L810 HydrophobicContact CD1-CD1 3.99Å; I792-L810 HydrophobicContact CG1-CD1 4.07Å; L810-R812 WeakPolarHBondContact CD1-O 3.26Å
811K92.1Very high87Confident62 Ų6265.7 Ų65.727%0.2736%0.355SS..EExtended strand (participates in β ladder)trans-97.3-21.8-178.4-61.8-49.5179.8-173.50113.9L791 E795 V809L791-K811 WeakPolarHBondContact O-CA 3.2Å; L791-K811 WeakPolarHBondContact O-CB 3.35Å; L791-K811 PolarHBondContact O-N 3.22Å; E795-K811 WeakPolarHBondContact OE1-CE 3.48Å; E795-K811 IonicContact OE1-NZ 2.69Å; E795-K811 PolarHBondContact OE1-NZ 3.07Å; E795-K811 IonicContact OE2-NZ 3.58Å; E795-K811 PolarHBondContact OE2-NZ 2.96Å; V809-K811 HydrophobicContact CB-CD 4.44Å; V809-K811 HydrophobicContact CG1-CD 4.32Å; V809-K811 WeakPolarHBondContact O-CG 3.44Å; V809-K811 PolarHBondContact O-N 3.43Å; V809-K811 VanDerWaalsContact O-N 3.16Å
812R90.9Very high88.4Confident18 Ų1859 Ų597%0.06831%0.311CS..EExtended strand (participates in β ladder)trans-161.8140.1169.2-156.4179.7-175.3162.121.9109.8L791 L810 M814 E836 Y839 S841L791-R812 HydrophobicContact CB-CB 4.2Å; L791-R812 HydrophobicContact CD1-CB 4.35Å; L791-R812 PolarHBondContact N-O 3Å; L791-R812 PolarHBondContact O-N 3.05Å; L791-R812 VanDerWaalsContact O-N 3.17Å; L810-R812 WeakPolarHBondContact CD1-O 3.26Å; R812-M814 VanDerWaalsContact CD-CG 3.49Å; R812-M814 VanDerWaalsContact CD-SD 3.55Å; R812-M814 HydrophobicContact CG-CG 3.85Å; R812-M814 HydrophobicContact CG-SD 4.46Å; R812-E836 IonicContact CZ-OE1 2.72Å; R812-E836 IonicContact CZ-OE2 3Å; R812-E836 IonicContact NE-OE1 2.95Å; R812-E836 PolarHBondContact NE-OE1 3.13Å; R812-E836 IonicContact NH2-OE1 3.7Å; R812-E836 PolarHBondContact NH2-OE1 3.02Å; R812-E836 IonicContact NH2-OE2 3.47Å; R812-E836 PolarHBondContact NH2-OE2 3.19Å; R812-Y839 VanDerWaalsContact CZ-O 3.23Å; R812-Y839 PolarHBondContact NH1-O 2.95Å; R812-Y839 PolarHBondContact NH2-O 2.77Å; R812-S841 PolarHBondContact NH1-OG 2.89Å
813K92.9Very high89.3Confident87 Ų8756 Ų5638%0.37830%0.299SS..EExtended strand (participates in β ladder)trans-106.5135.3153.6-172.3-166.9177.1-157.80106.8I789 Y790 E815I789-K813 CarbonylContact O-C 3.49Å; I789-K813 WeakPolarHBondContact O-CA 3.33Å; Y790-K813 HydrophobicContact CD1-CG 4.28Å; Y790-K813 HydrophobicContact CE1-CD 4.21Å; Y790-K813 HydrophobicContact CE1-CG 4.06Å; K813-E815 HydrophobicContact CD-CG 4.48Å; K813-E815 WeakPolarHBondContact CE-OE1 2.99Å; K813-E815 IonicContact NZ-OE1 2.76Å; K813-E815 PolarHBondContact NZ-OE1 3.44Å
814M93.6Very high90.4Very high1 Ų148.4 Ų48.41%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-122.1130.8173.4-64.1168.2-67.300107.9G788 I789 L791 R812 L834 E836G788-M814 WeakPolarHBondContact CA-O 3.39Å; I789-M814 HydrophobicContact CB-CB 4.34Å; I789-M814 HydrophobicContact CB-CE 3.93Å; I789-M814 HydrophobicContact CD1-CE 4.46Å; I789-M814 HydrophobicContact CG2-CE 3.63Å; I789-M814 PolarHBondContact N-O 2.94Å; I789-M814 PolarHBondContact O-N 2.85Å; L791-M814 HydrophobicContact CD1-CE 3.86Å; L791-M814 HydrophobicContact CG-CE 4.17Å; R812-M814 VanDerWaalsContact CD-CG 3.49Å; R812-M814 VanDerWaalsContact CD-SD 3.55Å; R812-M814 HydrophobicContact CG-CG 3.85Å; R812-M814 HydrophobicContact CG-SD 4.46Å; M814-L834 HydrophobicContact CE-CD2 3.51Å; M814-L834 HydrophobicContact SD-CD2 3.72Å; M814-E836 HydrophobicContact CG-CG 4.36Å
815E92.6Very high91.3Very high93 Ų9346.4 Ų46.444%0.43525%0.245SC..  trans-104.4144.9-178.9-59.1-174.2159.700109.1K813 A817 N818K813-E815 HydrophobicContact CD-CG 4.48Å; K813-E815 WeakPolarHBondContact CE-OE1 2.99Å; K813-E815 IonicContact NZ-OE1 2.76Å; K813-E815 PolarHBondContact NZ-OE1 3.44Å; E815-A817 PolarHBondContact O-N 3.02Å; E815-A817 VanDerWaalsContact O-N 3.13Å; E815-N818 PolarHBondContact O-N 2.95Å
816F93.6Very high91.8Very high5 Ų542.2 Ų42.22%0.02223%0.227CC..G310 helixtrans-57.9-35.2-167.2-61.3-69000113.6L784 T785 G788 I789 N818 I819 L855 R858 Y859 V862 T863L784-F816 HydrophobicContact CD1-CE1 3.8Å; L784-F816 HydrophobicContact CD1-CZ 3.76Å; T785-F816 WeakPolarHBondContact O-CZ 3.31Å; G788-F816 VanDerWaalsContact N-CE2 3.3Å; I789-F816 HydrophobicContact CG1-CE1 4.45Å; F816-N818 PolarHBondContact O-N 2.79Å; F816-I819 HydrophobicContact CD1-CD1 4.01Å; F816-I819 PolarHBondContact O-N 2.85Å; F816-I819 VanDerWaalsContact O-N 3.16Å; F816-L855 HydrophobicContact CD1-CD1 4.01Å; F816-L855 HydrophobicContact CE1-CD1 3.72Å; F816-R858 HydrophobicContact CD1-CB 4.48Å; F816-R858 HydrophobicContact CE1-CB 3.77Å; F816-R858 HydrophobicContact CE2-CB 4.12Å; F816-R858 HydrophobicContact CZ-CB 3.57Å; F816-R858 HydrophobicContact CZ-CG 4.28Å; F816-Y859 HydrophobicContact CB-CD2 4.29Å; F816-Y859 WeakPolarHBondContact O-CD2 3.31Å; F816-Y859 VanDerWaalsContact O-CE2 3.32Å; F816-Y859 WeakPolarHBondContact O-CE2 3.47Å; F816-V862 HydrophobicContact CB-CB 4.31Å; F816-V862 HydrophobicContact CB-CG1 4.12Å; F816-V862 HydrophobicContact CD2-CB 4.18Å; F816-V862 HydrophobicContact CD2-CG1 4.21Å; F816-V862 HydrophobicContact CD2-CG2 3.92Å; F816-V862 HydrophobicContact CE2-CG2 4.39Å; F816-T863 HydrophobicContact CB-CG2 4.37Å
817A89.1Confident92.3Very high85 Ų8539.3 Ų39.370%0.70221%0.21SC*.G310 helixtrans-61.8-22176.900000114.5E815E815-A817 PolarHBondContact O-N 3.02Å; E815-A817 VanDerWaalsContact O-N 3.13Å
818N91.9Very high92.5Very high69 Ų6935.5 Ų35.537%0.36919%0.193SC..G310 helixtrans-93.2-10.9179.3-65.7-35.3000113.2E815 F816 E836 A837E815-N818 PolarHBondContact O-N 2.95Å; F816-N818 PolarHBondContact O-N 2.79Å; N818-E836 HydrophobicContact CB-CG 4.01Å; N818-E836 WeakPolarHBondContact O-CA 3.42Å; N818-E836 WeakPolarHBondContact O-CG 3.34Å; N818-A837 PolarHBondContact O-N 3.32Å
819I93.9Very high92.7Very high3 Ų333.7 Ų33.72%0.01519%0.185CC..EExtended strand (participates in β ladder)trans-79.3122.8-179.9-60.1174.8000108.6I789 F816 L834 H835 L855 Y859 M867I789-I819 HydrophobicContact CD1-CD1 3.51Å; I789-I819 HydrophobicContact CG1-CD1 4.44Å; F816-I819 HydrophobicContact CD1-CD1 4.01Å; F816-I819 PolarHBondContact O-N 2.85Å; F816-I819 VanDerWaalsContact O-N 3.16Å; I819-L834 HydrophobicContact CD1-CD1 4.4Å; I819-L834 HydrophobicContact CG2-CD1 3.73Å; I819-H835 WeakPolarHBondContact CA-O 3.4Å; I819-L855 HydrophobicContact CD1-CD1 4.02Å; I819-Y859 HydrophobicContact CB-CD2 4.37Å; I819-Y859 HydrophobicContact CB-CE2 4.34Å; I819-Y859 WeakPolarHBondContact O-CE2 3.31Å; I819-M867 HydrophobicContact CG2-CE 3.83Å
820T92.1Very high92.8Very high86 Ų8632 Ų3253%0.52817%0.174SC..EExtended strand (participates in β ladder)trans-97.6-13.9-177.954.80000113.4H835T820-H835 PolarHBondContact N-O 3.09Å; T820-H835 VanDerWaalsContact OG1-CB 3.25Å; T820-H835 WeakPolarHBondContact OG1-CB 3.3Å
821G93.9Very high92.9Very high4 Ų429 Ų294%0.04116%0.159CC..EExtended strand (participates in β ladder)trans154.7-171.2175.200000113.2H835 T868G821-H835 PolarHBondContact O-N 2.98Å; G821-T868 CarbonylContact C-O 3.54Å; G821-T868 WeakPolarHBondContact CA-O 3.48Å
822V96.3Very high93.1Very high1 Ų126.1 Ų26.11%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-132.8134.6174.1178.50000110.7L824 F832 I833 L834 L852 L855 M867 T868 I869 S870V822-L824 HydrophobicContact CG1-CD1 3.77Å; V822-L824 HydrophobicContact CG1-CG 4.44Å; V822-F832 HydrophobicContact CG1-CB 4.09Å; V822-F832 HydrophobicContact CG1-CD2 4.32Å; V822-I833 CarbonylContact C-O 3.51Å; V822-I833 VanDerWaalsContact CA-O 3.28Å; V822-I833 WeakPolarHBondContact CA-O 3.42Å; V822-I833 WeakPolarHBondContact CG1-O 3.48Å; V822-L834 HydrophobicContact CG2-CD1 3.85Å; V822-L852 HydrophobicContact CB-CD2 4.27Å; V822-L852 HydrophobicContact CG1-CD2 3.8Å; V822-L852 HydrophobicContact CG2-CD2 3.93Å; V822-L855 HydrophobicContact CG2-CD2 4.29Å; V822-M867 HydrophobicContact CG2-SD 3.77Å; V822-T868 PolarHBondContact N-O 3.04Å; V822-I869 CarbonylContact O-C 3.59Å; V822-I869 VanDerWaalsContact O-CA 3.31Å; V822-I869 WeakPolarHBondContact O-CA 3.07Å; V822-S870 PolarHBondContact O-N 3.16Å; V822-S870 PolarHBondContact O-OG 3.03Å
823S96Very high93.3Very high13 Ų1325.2 Ų25.29%0.09114%0.142CC..EExtended strand (participates in β ladder)trans-104.9141.2167.7-68.90000112.5F832 I833 H835 S870S823-F832 CarbonylContact O-C 3.48Å; S823-F832 WeakPolarHBondContact O-CA 3.28Å; S823-I833 PolarHBondContact N-O 2.88Å; S823-I833 PolarHBondContact O-N 3.07Å; S823-H835 VanDerWaalsContact CB-NE2 3.31Å; S823-H835 WeakPolarHBondContact CB-NE2 3.24Å; S823-H835 PolarHBondContact OG-NE2 2.9Å; S823-S870 CarbonylContact C-O 3.41Å; S823-S870 WeakPolarHBondContact CA-O 3.42Å; S823-S870 PolarHBondContact OG-OG 3.33Å
824L95.6Very high93.4Very high0 Ų021.1 Ų21.10%012%0.124CC..EExtended strand (participates in β ladder)trans-131.1156.3171.2-64.498.7000111.3L724 K728 V822 F832 K848 L852 I869 S870 F871 S872L724-L824 HydrophobicContact CD2-CD2 4.19Å; K728-L824 HydrophobicContact CD-CB 4.12Å; K728-L824 HydrophobicContact CD-CD2 3.75Å; V822-L824 HydrophobicContact CG1-CD1 3.77Å; V822-L824 HydrophobicContact CG1-CG 4.44Å; L824-F832 HydrophobicContact CD2-CB 4.25Å; L824-F832 HydrophobicContact CG-CB 4Å; L824-K848 HydrophobicContact CD2-CD 4.12Å; L824-L852 HydrophobicContact CD1-CD1 4.03Å; L824-L852 HydrophobicContact CD2-CD1 3.83Å; L824-L852 HydrophobicContact CG-CD1 4.44Å; L824-I869 HydrophobicContact CD1-CG2 3.61Å; L824-S870 PolarHBondContact N-O 3.31Å; L824-F871 HydrophobicContact CB-CD1 4.03Å; L824-F871 HydrophobicContact CB-CE1 4.13Å; L824-F871 HydrophobicContact CD1-CE1 4.12Å; L824-F871 VanDerWaalsContact O-CA 3.31Å; L824-F871 WeakPolarHBondContact O-CA 3.31Å; L824-S872 PolarHBondContact O-N 2.62Å
825S94.3Very high93.5Very high0 Ų022.3 Ų22.30%013%0.13CC..  trans-71.4165.2163.8121.10000111.2K728 R827 D829 S872 F894K728-S825 WeakPolarHBondContact CD-O 3.46Å; K728-S825 VanDerWaalsContact CG-O 3.31Å; K728-S825 WeakPolarHBondContact CG-O 3.47Å; K728-S825 PolarHBondContact NZ-O 2.99Å; K728-S825 PolarHBondContact NZ-OG 3.49Å; S825-R827 WeakPolarHBondContact OG-CB 3.37Å; S825-R827 PolarHBondContact OG-N 3.26Å; S825-D829 WeakPolarHBondContact CB-OD2 3.47Å; S825-D829 PolarHBondContact OG-OD2 3.31Å; S825-S872 WeakPolarHBondContact CA-O 3.37Å; S825-F894 VanDerWaalsContact CB-CD1 3.44Å
826S91.4Very high93.4Very high16 Ų1618.2 Ų18.211%0.11211%0.111CC..SBendtrans-88.3-5.7174.190.40000114.5S727 K728 E729 D873 K921S727-S826 WeakPolarHBondContact O-CB 3.47Å; K728-S826 WeakPolarHBondContact CA-O 3.39Å; E729-S826 PolarHBondContact N-O 3.05Å; S826-D873 WeakPolarHBondContact CA-OD1 3.31Å; S826-D873 WeakPolarHBondContact CB-OD1 3.13Å; S826-D873 PolarHBondContact N-OD1 3Å; S826-D873 PolarHBondContact OG-OD1 2.57Å; S826-K921 VanDerWaalsContact O-CE 3.32Å; S826-K921 WeakPolarHBondContact O-CE 3.27Å; S826-K921 PolarHBondContact OG-NZ 2.97Å
827R91.4Very high93.1Very high43 Ų4321.3 Ų21.316%0.16214%0.137CC..SBendtrans-80.1173.7176.6-53.1-66.5159.9-173.8-5.3113.5K728 E729 S825 D829 D873 F894 V915 D917K728-R827 WeakPolarHBondContact CE-O 3.42Å; K728-R827 WeakPolarHBondContact CG-O 3.19Å; K728-R827 PolarHBondContact NZ-O 3.48Å; E729-R827 IonicContact OE1-NH1 2.78Å; E729-R827 PolarHBondContact OE1-NH1 3.42Å; S825-R827 WeakPolarHBondContact OG-CB 3.37Å; S825-R827 PolarHBondContact OG-N 3.26Å; R827-D829 PolarHBondContact O-N 2.91Å; R827-D873 IonicContact CZ-OD2 3.39Å; R827-D873 IonicContact NE-OD2 3.31Å; R827-D873 PolarHBondContact NE-OD2 3.08Å; R827-D873 IonicContact NH2-OD2 2.95Å; R827-D873 PolarHBondContact NH2-OD2 2.92Å; R827-F894 HydrophobicContact CG-CB 4.23Å; R827-V915 HydrophobicContact CB-CG1 3.73Å; R827-V915 HydrophobicContact CG-CG1 4.23Å; R827-D917 IonicContact NH1-OD1 3.06Å; R827-D917 PolarHBondContact NH1-OD1 3.38Å
828Q90.3Very high93Very high3 Ų324.3 Ų24.31%0.01414%0.137CC..SBendtrans-74.60.6-17966162.6-15.900116.1E729 R731 D900 V915 G916 D917E729-Q828 HydrophobicContact CB-CB 4Å; E729-Q828 PolarHBondContact OE2-N 3Å; R731-Q828 WeakPolarHBondContact CD-O 3.33Å; R731-Q828 HydrophobicContact CG-CB 3.9Å; R731-Q828 HydrophobicContact CG-CG 4.33Å; R731-Q828 WeakPolarHBondContact CG-O 3.48Å; Q828-D900 PolarHBondContact NE2-OD1 3.36Å; Q828-D900 VanDerWaalsContact NE2-OD1 3.08Å; Q828-V915 HydrophobicContact CG-CG2 4.19Å; Q828-G916 WeakPolarHBondContact CG-O 3.46Å; Q828-G916 PolarHBondContact NE2-O 2.52Å; Q828-D917 PolarHBondContact NE2-O 2.92Å
829D92.3Very high92.9Very high4 Ų422.8 Ų22.82%0.02113%0.126CC..  trans-57163.8179.968.882.9000114.5K728 S825 R827 F831 K848 F894 V915K728-D829 WeakPolarHBondContact CE-O 3.41Å; K728-D829 PolarHBondContact NZ-O 3.27Å; K728-D829 IonicContact NZ-OD1 2.75Å; K728-D829 PolarHBondContact NZ-OD1 2.93Å; K728-D829 VanDerWaalsContact NZ-OD1 3.08Å; K728-D829 IonicContact NZ-OD2 2.8Å; K728-D829 PolarHBondContact NZ-OD2 3.07Å; S825-D829 WeakPolarHBondContact CB-OD2 3.47Å; S825-D829 PolarHBondContact OG-OD2 3.31Å; R827-D829 PolarHBondContact O-N 2.91Å; D829-F831 HydrophobicContact CB-CD2 4.09Å; D829-F831 WeakPolarHBondContact OD1-CB 3.47Å; D829-F831 PolarHBondContact OD1-N 3.27Å; D829-K848 WeakPolarHBondContact O-CE 3.12Å; D829-K848 PolarHBondContact O-NZ 3.49Å; D829-F894 HydrophobicContact CB-CD1 4.41Å; D829-F894 HydrophobicContact CB-CE1 4.19Å; D829-F894 VanDerWaalsContact CG-CE1 3.49Å; D829-V915 HydrophobicContact CB-CG1 4.41Å
830D92.1Very high92.9Very high16 Ų1623.1 Ų23.19%0.08613%0.128CC..  trans-96.312.4179-72.9-42.1000115.7R731 E844 S845 N846 K848R731-D830 VanDerWaalsContact CZ-CG 3.42Å; R731-D830 IonicContact CZ-OD1 3.21Å; R731-D830 VanDerWaalsContact CZ-OD1 3.25Å; R731-D830 IonicContact CZ-OD2 3.25Å; R731-D830 IonicContact NE-OD1 2.77Å; R731-D830 PolarHBondContact NE-OD1 3.02Å; R731-D830 VanDerWaalsContact NE-OD1 3.11Å; R731-D830 IonicContact NE-OD2 3.11Å; R731-D830 PolarHBondContact NE-OD2 2.96Å; R731-D830 IonicContact NH1-OD2 2.7Å; R731-D830 PolarHBondContact NH1-OD2 3.16Å; R731-D830 IonicContact NH2-OD1 2.79Å; R731-D830 PolarHBondContact NH2-OD1 3.41Å; R731-D830 IonicContact NH2-OD2 2.84Å; R731-D830 PolarHBondContact NH2-OD2 2.89Å; D830-E844 HydrophobicContact CB-CG 4.1Å; D830-E844 WeakPolarHBondContact O-CA 3.4Å; D830-S845 WeakPolarHBondContact CB-O 3.4Å; D830-S845 PolarHBondContact O-N 3.19Å; D830-S845 VanDerWaalsContact O-N 3.14Å; D830-N846 PolarHBondContact OD2-OD1 3.35Å; D830-K848 IonicContact OD1-NZ 3.72Å; D830-K848 PolarHBondContact OD1-NZ 3.09Å
831F94.4Very high93Very high1 Ų119 Ų190%0.00410%0.103CC..EExtended strand (participates in β ladder)trans-86.8142-175-68.5-108.5000111.4F771 D829 L842 L843 E844 F894 A902 L904 I913F771-F831 HydrophobicContact CD2-CE1 4.11Å; F771-F831 HydrophobicContact CE1-CE1 4.41Å; F771-F831 HydrophobicContact CE2-CD1 4.18Å; F771-F831 AromaticContact CE2-CE1 3.41Å; F771-F831 HydrophobicContact CE2-CE1 3.41Å; F771-F831 VanDerWaalsContact CE2-CE1 3.41Å; F771-F831 HydrophobicContact CE2-CZ 4.11Å; F771-F831 AromaticContact CZ-CE1 3.59Å; F771-F831 HydrophobicContact CZ-CE1 3.59Å; F771-F831 AromaticContact CZ-CZ 3.97Å; F771-F831 HydrophobicContact CZ-CZ 3.97Å; D829-F831 HydrophobicContact CB-CD2 4.09Å; D829-F831 WeakPolarHBondContact OD1-CB 3.47Å; D829-F831 PolarHBondContact OD1-N 3.27Å; F831-L842 HydrophobicContact CD1-CD1 4.15Å; F831-L843 WeakPolarHBondContact CA-O 3.31Å; F831-E844 HydrophobicContact CD1-CB 4.29Å; F831-E844 HydrophobicContact CD2-CG 4.41Å; F831-E844 HydrophobicContact CE1-CB 4.19Å; F831-E844 HydrophobicContact CE2-CB 4.41Å; F831-E844 HydrophobicContact CE2-CG 4.07Å; F831-E844 HydrophobicContact CG-CB 4.46Å; F831-E844 HydrophobicContact CZ-CB 4.23Å; F831-E844 HydrophobicContact CZ-CG 4.2Å; F831-E844 WeakPolarHBondContact CZ-OE1 3.18Å; F831-F894 HydrophobicContact CB-CE1 3.95Å; F831-F894 HydrophobicContact CB-CZ 3.8Å; F831-F894 HydrophobicContact CD2-CE1 4.39Å; F831-F894 HydrophobicContact CG-CE1 4.24Å; F831-F894 HydrophobicContact CG-CZ 4.35Å; F831-A902 HydrophobicContact CE2-CB 4Å; F831-L904 HydrophobicContact CE1-CD2 4.38Å; F831-L904 HydrophobicContact CZ-CD2 3.89Å; F831-I913 HydrophobicContact CD1-CD1 3.79Å; F831-I913 HydrophobicContact CD2-CD1 4.27Å; F831-I913 HydrophobicContact CE1-CD1 3.74Å; F831-I913 HydrophobicContact CE2-CD1 4.27Å; F831-I913 HydrophobicContact CG-CD1 4.07Å; F831-I913 HydrophobicContact CZ-CD1 4.02Å
832F95.5Very high93.1Very high0 Ų019 Ų190%010%0.101CC..EExtended strand (participates in β ladder)trans-147.4151170.364.7-77.9000109.8L782 V822 S823 L824 L843 K848 F851L782-F832 HydrophobicContact CD2-CZ 4.32Å; V822-F832 HydrophobicContact CG1-CB 4.09Å; V822-F832 HydrophobicContact CG1-CD2 4.32Å; S823-F832 CarbonylContact O-C 3.48Å; S823-F832 WeakPolarHBondContact O-CA 3.28Å; L824-F832 HydrophobicContact CD2-CB 4.25Å; L824-F832 HydrophobicContact CG-CB 4Å; F832-L843 HydrophobicContact CD1-CB 4.24Å; F832-L843 HydrophobicContact CD2-CB 4.4Å; F832-L843 HydrophobicContact CE1-CB 3.72Å; F832-L843 HydrophobicContact CE2-CB 3.91Å; F832-L843 HydrophobicContact CE2-CD1 3.72Å; F832-L843 HydrophobicContact CE2-CG 4.39Å; F832-L843 HydrophobicContact CZ-CB 3.55Å; F832-L843 HydrophobicContact CZ-CD1 3.75Å; F832-L843 HydrophobicContact CZ-CG 4.29Å; F832-L843 PolarHBondContact N-O 3.3Å; F832-L843 PolarHBondContact O-N 3.3Å; F832-L843 VanDerWaalsContact O-O 3.09Å; F832-K848 HydrophobicContact CD1-CB 4.16Å; F832-K848 HydrophobicContact CE1-CB 4.35Å; F832-F851 HydrophobicContact CD2-CE1 4.46Å; F832-F851 AromaticContact CE2-CD1 3.92Å; F832-F851 HydrophobicContact CE2-CD1 3.92Å; F832-F851 AromaticContact CE2-CE1 3.54Å; F832-F851 HydrophobicContact CE2-CE1 3.54Å; F832-F851 AromaticContact CZ-CD1 3.93Å; F832-F851 HydrophobicContact CZ-CD1 3.93Å; F832-F851 AromaticContact CZ-CE1 3.9Å; F832-F851 HydrophobicContact CZ-CE1 3.9Å
833I96.1Very high93.1Very high0 Ų018.9 Ų18.90%010%0.101CC..EExtended strand (participates in β ladder)trans-111.2115.9172.5-63.4154.5000107V822 S823 H835 D840 S841 L842 L875 F877V822-I833 CarbonylContact C-O 3.51Å; V822-I833 VanDerWaalsContact CA-O 3.28Å; V822-I833 WeakPolarHBondContact CA-O 3.42Å; V822-I833 WeakPolarHBondContact CG1-O 3.48Å; S823-I833 PolarHBondContact N-O 2.88Å; S823-I833 PolarHBondContact O-N 3.07Å; I833-H835 VanDerWaalsContact CG2-CE1 3.4Å; I833-H835 WeakPolarHBondContact CG2-CE1 3.45Å; I833-D840 HydrophobicContact CG2-CB 3.82Å; I833-S841 WeakPolarHBondContact CA-O 3.31Å; I833-L842 HydrophobicContact CD1-CD1 4.35Å; I833-L842 HydrophobicContact CG1-CB 4.29Å; I833-L842 HydrophobicContact CG1-CD1 3.64Å; I833-L875 HydrophobicContact CD1-CB 3.56Å; I833-L875 HydrophobicContact CD1-CD1 3.72Å; I833-L875 HydrophobicContact CD1-CG 4.27Å; I833-F877 HydrophobicContact CD1-CB 4.09Å; I833-F877 HydrophobicContact CD1-CD1 4.27Å; I833-F877 HydrophobicContact CG1-CB 4.37Å; I833-F877 HydrophobicContact CG2-CB 3.74Å
834L95.8Very high93Very high0 Ų020.8 Ų20.80%011%0.109CC..EExtended strand (participates in β ladder)trans-83.1116.6168179.863.8000108.4I789 M814 I819 V822 D840 S841 L855I789-L834 HydrophobicContact CD1-CD1 4.49Å; I789-L834 HydrophobicContact CD1-CD2 3.65Å; M814-L834 HydrophobicContact CE-CD2 3.51Å; M814-L834 HydrophobicContact SD-CD2 3.72Å; I819-L834 HydrophobicContact CD1-CD1 4.4Å; I819-L834 HydrophobicContact CG2-CD1 3.73Å; V822-L834 HydrophobicContact CG2-CD1 3.85Å; L834-D840 CarbonylContact O-C 3.57Å; L834-D840 WeakPolarHBondContact O-CA 3.46Å; L834-S841 PolarHBondContact N-O 3.16Å; L834-S841 PolarHBondContact O-N 3.02Å; L834-L855 HydrophobicContact CD1-CD2 3.97Å
835H94.8Very high92.9Very high26 Ų2621 Ų2112%0.1211%0.11CC..EExtended strand (participates in β ladder)trans-91.7134.8179.5-59-81.5000111I819 T820 G821 S823 I833 D840I819-H835 WeakPolarHBondContact CA-O 3.4Å; T820-H835 PolarHBondContact N-O 3.09Å; T820-H835 VanDerWaalsContact OG1-CB 3.25Å; T820-H835 WeakPolarHBondContact OG1-CB 3.3Å; G821-H835 PolarHBondContact O-N 2.98Å; S823-H835 VanDerWaalsContact CB-NE2 3.31Å; S823-H835 WeakPolarHBondContact CB-NE2 3.24Å; S823-H835 PolarHBondContact OG-NE2 2.9Å; I833-H835 VanDerWaalsContact CG2-CE1 3.4Å; I833-H835 WeakPolarHBondContact CG2-CE1 3.45Å; H835-D840 VanDerWaalsContact CA-OD1 3.29Å; H835-D840 WeakPolarHBondContact CA-OD1 3.31Å; H835-D840 IonicContact CE1-OD2 3.86Å; H835-D840 IonicContact CG-OD1 3.75Å; H835-D840 IonicContact ND1-OD1 1.94Å; H835-D840 PolarHBondContact ND1-OD1 2.69Å; H835-D840 IonicContact ND1-OD2 2.91Å; H835-D840 PolarHBondContact ND1-OD2 2.93Å
836E91.1Very high92.7Very high8 Ų824.8 Ų24.84%0.03713%0.13CC..EExtended strand (participates in β ladder)trans-146.3148.4-177-174.5-107.8-115.900109.7R812 M814 N818 Q838 Y839 D840R812-E836 IonicContact CZ-OE1 2.72Å; R812-E836 IonicContact CZ-OE2 3Å; R812-E836 IonicContact NE-OE1 2.95Å; R812-E836 PolarHBondContact NE-OE1 3.13Å; R812-E836 IonicContact NH2-OE1 3.7Å; R812-E836 PolarHBondContact NH2-OE1 3.02Å; R812-E836 IonicContact NH2-OE2 3.47Å; R812-E836 PolarHBondContact NH2-OE2 3.19Å; M814-E836 HydrophobicContact CG-CG 4.36Å; N818-E836 HydrophobicContact CB-CG 4.01Å; N818-E836 WeakPolarHBondContact O-CA 3.42Å; N818-E836 WeakPolarHBondContact O-CG 3.34Å; E836-Q838 PolarHBondContact O-N 3.27Å; E836-Q838 WeakPolarHBondContact OE2-CA 3.3Å; E836-Q838 VanDerWaalsContact OE2-CB 3.28Å; E836-Q838 WeakPolarHBondContact OE2-CB 3.32Å; E836-Q838 PolarHBondContact OE2-N 3.42Å; E836-Y839 PolarHBondContact O-N 2.97Å; E836-D840 PolarHBondContact N-OD1 3.24Å
837A86.7Confident92.8Very high69 Ų6925.3 Ų25.357%0.5713%0.13SC*.SBendtrans-50.7-32.5-167.600000115.8N818N818-A837 PolarHBondContact O-N 3.32Å
838Q86.5Confident92.8Very high148 Ų14823.5 Ų23.569%0.69212%0.124SC*.SBendtrans-87.2-49.5179.8-52.7-177.75.500112.8E836E836-Q838 PolarHBondContact O-N 3.27Å; E836-Q838 WeakPolarHBondContact OE2-CA 3.3Å; E836-Q838 VanDerWaalsContact OE2-CB 3.28Å; E836-Q838 WeakPolarHBondContact OE2-CB 3.32Å; E836-Q838 PolarHBondContact OE2-N 3.42Å
839Y90.4Very high92.7Very high38 Ų3823.7 Ų23.715%0.14913%0.125CC..  trans-170.4154.9-179.864.6-86000111.9R812 E836 K880R812-Y839 VanDerWaalsContact CZ-O 3.23Å; R812-Y839 PolarHBondContact NH1-O 2.95Å; R812-Y839 PolarHBondContact NH2-O 2.77Å; E836-Y839 PolarHBondContact O-N 2.97Å; Y839-K880 HydrophobicContact CD1-CB 3.88Å; Y839-K880 HydrophobicContact CD1-CG 3.91Å; Y839-K880 HydrophobicContact CD2-CB 3.81Å; Y839-K880 HydrophobicContact CE1-CB 4.14Å; Y839-K880 HydrophobicContact CE1-CD 4.22Å; Y839-K880 HydrophobicContact CE1-CG 3.88Å; Y839-K880 HydrophobicContact CE2-CB 4.06Å; Y839-K880 HydrophobicContact CG-CB 3.72Å; Y839-K880 HydrophobicContact CG-CG 4.28Å
840D94.1Very high92.6Very high10 Ų1023.8 Ų23.85%0.05313%0.125CC..  trans-88.1170.2-170.5-59-21.8000112.5I833 L834 H835 E836 F877 K878I833-D840 HydrophobicContact CG2-CB 3.82Å; L834-D840 CarbonylContact O-C 3.57Å; L834-D840 WeakPolarHBondContact O-CA 3.46Å; H835-D840 VanDerWaalsContact CA-OD1 3.29Å; H835-D840 WeakPolarHBondContact CA-OD1 3.31Å; H835-D840 IonicContact CE1-OD2 3.86Å; H835-D840 IonicContact CG-OD1 3.75Å; H835-D840 IonicContact ND1-OD1 1.94Å; H835-D840 PolarHBondContact ND1-OD1 2.69Å; H835-D840 IonicContact ND1-OD2 2.91Å; H835-D840 PolarHBondContact ND1-OD2 2.93Å; E836-D840 PolarHBondContact N-OD1 3.24Å; D840-F877 HydrophobicContact CB-CB 3.89Å; D840-F877 VanDerWaalsContact OD2-CA 3.31Å; D840-F877 WeakPolarHBondContact OD2-CA 3.47Å; D840-K878 PolarHBondContact N-O 2.91Å; D840-K878 PolarHBondContact OD2-N 3.12Å
841S94.3Very high92.7Very high0 Ų023 Ų230%012%0.121CC..EExtended strand (participates in β ladder)trans-131.7105.4172.5-68.70000111.3K770 R812 I833 L834 L843K770-S841 PolarHBondContact NZ-OG 2.83Å; R812-S841 PolarHBondContact NH1-OG 2.89Å; I833-S841 WeakPolarHBondContact CA-O 3.31Å; L834-S841 PolarHBondContact N-O 3.16Å; L834-S841 PolarHBondContact O-N 3.02Å; S841-L843 PolarHBondContact O-N 3Å
842L95.3Very high92.6Very high2 Ų223 Ų231%0.0112%0.121CC..EExtended strand (participates in β ladder)trans-71.5116.4165.8178.361.3000109.3F771 F831 I833 F877 V892 L911F771-L842 HydrophobicContact CB-CB 4.36Å; F771-L842 HydrophobicContact CB-CD2 3.82Å; F771-L842 HydrophobicContact CB-CG 4.06Å; F771-L842 HydrophobicContact CD2-CD2 4.42Å; F771-L842 HydrophobicContact CD2-CG 4.13Å; F771-L842 HydrophobicContact CG-CD2 4.2Å; F771-L842 HydrophobicContact CG-CG 4.35Å; F771-L842 PolarHBondContact N-O 2.98Å; F771-L842 VanDerWaalsContact N-O 3.14Å; F831-L842 HydrophobicContact CD1-CD1 4.15Å; I833-L842 HydrophobicContact CD1-CD1 4.35Å; I833-L842 HydrophobicContact CG1-CB 4.29Å; I833-L842 HydrophobicContact CG1-CD1 3.64Å; L842-F877 HydrophobicContact CB-CE1 4.31Å; L842-F877 HydrophobicContact CB-CE2 4.24Å; L842-F877 HydrophobicContact CB-CZ 4.12Å; L842-F877 HydrophobicContact CD2-CE1 3.75Å; L842-F877 HydrophobicContact CD2-CZ 3.87Å; L842-V892 HydrophobicContact CD1-CG2 4.27Å; L842-V892 HydrophobicContact CD2-CG2 3.74Å; L842-L911 HydrophobicContact CD2-CD2 4.39Å
843L96.3Very high92.3Very high0 Ų023.8 Ų23.80%013%0.127CC..EExtended strand (participates in β ladder)trans-131.1153.5-173.6-63.7175.1000110.7V768 T769 K770 L791 F831 F832 S841V768-L843 HydrophobicContact CG2-CD2 4.01Å; T769-L843 CarbonylContact O-C 3.51Å; T769-L843 WeakPolarHBondContact O-CA 3.16Å; K770-L843 HydrophobicContact CB-CD2 3.66Å; K770-L843 HydrophobicContact CD-CD2 4.19Å; K770-L843 HydrophobicContact CG-CD2 3.83Å; L791-L843 HydrophobicContact CD2-CD2 4.46Å; F831-L843 WeakPolarHBondContact CA-O 3.31Å; F832-L843 HydrophobicContact CD1-CB 4.24Å; F832-L843 HydrophobicContact CD2-CB 4.4Å; F832-L843 HydrophobicContact CE1-CB 3.72Å; F832-L843 HydrophobicContact CE2-CB 3.91Å; F832-L843 HydrophobicContact CE2-CD1 3.72Å; F832-L843 HydrophobicContact CE2-CG 4.39Å; F832-L843 HydrophobicContact CZ-CB 3.55Å; F832-L843 HydrophobicContact CZ-CD1 3.75Å; F832-L843 HydrophobicContact CZ-CG 4.29Å; F832-L843 PolarHBondContact N-O 3.3Å; F832-L843 PolarHBondContact O-N 3.3Å; F832-L843 VanDerWaalsContact O-O 3.09Å; S841-L843 PolarHBondContact O-N 3Å
844E95.1Very high92.1Very high53 Ų5325.9 Ų25.925%0.24814%0.137CC..EExtended strand (participates in β ladder)trans-128.7124.8173.5171-160.6-124.100108.7V768 T769 F771 D830 F831V768-E844 WeakPolarHBondContact CA-O 3.49Å; V768-E844 WeakPolarHBondContact CB-O 3.43Å; T769-E844 WeakPolarHBondContact CB-OE2 3.48Å; T769-E844 PolarHBondContact N-O 2.65Å; T769-E844 PolarHBondContact O-N 3.07Å; T769-E844 PolarHBondContact OG1-OE2 2.84Å; F771-E844 HydrophobicContact CE2-CB 4.06Å; D830-E844 HydrophobicContact CB-CG 4.1Å; D830-E844 WeakPolarHBondContact O-CA 3.4Å; F831-E844 HydrophobicContact CD1-CB 4.29Å; F831-E844 HydrophobicContact CD2-CG 4.41Å; F831-E844 HydrophobicContact CE1-CB 4.19Å; F831-E844 HydrophobicContact CE2-CB 4.41Å; F831-E844 HydrophobicContact CE2-CG 4.07Å; F831-E844 HydrophobicContact CG-CB 4.46Å; F831-E844 HydrophobicContact CZ-CB 4.23Å; F831-E844 HydrophobicContact CZ-CG 4.2Å; F831-E844 WeakPolarHBondContact CZ-OE1 3.18Å
845S93.4Very high92Very high3 Ų325.9 Ų25.92%0.02114%0.137CC..  trans-141.9129.4178.41730000112.2D766 D830 F847 K848D766-S845 WeakPolarHBondContact OD2-CB 3.28Å; D766-S845 PolarHBondContact OD2-OG 3.35Å; D830-S845 WeakPolarHBondContact CB-O 3.4Å; D830-S845 PolarHBondContact O-N 3.19Å; D830-S845 VanDerWaalsContact O-N 3.14Å; S845-F847 PolarHBondContact O-N 3.32Å; S845-F847 VanDerWaalsContact O-N 3.08Å; S845-F847 PolarHBondContact OG-N 2.89Å; S845-K848 PolarHBondContact O-N 2.95Å; S845-K848 PolarHBondContact OG-N 2.68Å
846N90.9Very high91.9Very high80 Ų8025.4 Ų25.443%0.42814%0.137SC..THydrogen-bonded Turntrans-64-10.4171.3-90.6-72.7000113.7R731 R737 D830R731-N846 PolarHBondContact NH1-OD1 3.33Å; R731-N846 PolarHBondContact NH2-OD1 2.64Å; R737-N846 PolarHBondContact NH1-O 3.15Å; D830-N846 PolarHBondContact OD2-OD1 3.35Å
847F92.1Very high91.8Very high28 Ų2830 Ų3012%0.12316%0.157CC..THydrogen-bonded Turntrans-117.313.6-177.6-55.1-91.3000112.6R737 Y743 F764 D766 S845 T849 E850 F851R737-F847 VanDerWaalsContact NH2-CE1 3.3Å; R737-F847 VanDerWaalsContact NH2-CZ 3.26Å; Y743-F847 HydrophobicContact CD1-CD1 4.35Å; Y743-F847 AromaticContact CD1-CE1 3.59Å; Y743-F847 HydrophobicContact CD1-CE1 3.59Å; Y743-F847 HydrophobicContact CD1-CE2 4.45Å; Y743-F847 AromaticContact CD1-CZ 3.63Å; Y743-F847 HydrophobicContact CD1-CZ 3.63Å; Y743-F847 AromaticContact CD2-CD1 3.87Å; Y743-F847 HydrophobicContact CD2-CD1 3.87Å; Y743-F847 HydrophobicContact CD2-CD2 4.36Å; Y743-F847 AromaticContact CD2-CE1 3.93Å; Y743-F847 HydrophobicContact CD2-CE1 3.93Å; Y743-F847 HydrophobicContact CD2-CE2 4.4Å; Y743-F847 HydrophobicContact CD2-CG 4.09Å; Y743-F847 HydrophobicContact CD2-CZ 4.18Å; Y743-F847 AromaticContact CE1-CD1 3.88Å; Y743-F847 HydrophobicContact CE1-CD1 3.88Å; Y743-F847 AromaticContact CE1-CE1 3.2Å; Y743-F847 HydrophobicContact CE1-CE1 3.2Å; Y743-F847 AromaticContact CE1-CZ 3.76Å; Y743-F847 HydrophobicContact CE1-CZ 3.76Å; Y743-F847 HydrophobicContact CE2-CB 4.37Å; Y743-F847 AromaticContact CE2-CD1 3.32Å; Y743-F847 HydrophobicContact CE2-CD1 3.32Å; Y743-F847 AromaticContact CE2-CE1 3.56Å; Y743-F847 HydrophobicContact CE2-CE1 3.56Å; Y743-F847 AromaticContact CE2-CG 3.87Å; Y743-F847 HydrophobicContact CE2-CG 3.87Å; Y743-F847 HydrophobicContact CE2-CZ 4.28Å; Y743-F847 HydrophobicContact CG-CD1 4.35Å; Y743-F847 AromaticContact CG-CE1 3.93Å; Y743-F847 HydrophobicContact CG-CE1 3.93Å; Y743-F847 HydrophobicContact CG-CE2 4.23Å; Y743-F847 AromaticContact CG-CZ 3.85Å; Y743-F847 HydrophobicContact CG-CZ 3.85Å; Y743-F847 AromaticContact CZ-CD1 3.31Å; Y743-F847 AromaticContact CZ-CE1 3.17Å; F764-F847 HydrophobicContact CE2-CB 3.71Å; F764-F847 HydrophobicContact CZ-CB 3.83Å; D766-F847 HydrophobicContact CB-CD2 4.42Å; S845-F847 PolarHBondContact O-N 3.32Å; S845-F847 VanDerWaalsContact O-N 3.08Å; S845-F847 PolarHBondContact OG-N 2.89Å; F847-T849 PolarHBondContact O-N 3.43Å; F847-E850 WeakPolarHBondContact O-CB 3.47Å; F847-E850 PolarHBondContact O-N 3.07Å; F847-F851 PolarHBondContact O-N 2.97Å
848K91.1Very high92.1Very high5 Ų528.6 Ų28.62%0.02214%0.137CC..Hα-helixtrans-45.7-35.9-177.360.7159.2-166.9-760115.4L824 D829 D830 F832 S845 E850 L852L824-K848 HydrophobicContact CD2-CD 4.12Å; D829-K848 WeakPolarHBondContact O-CE 3.12Å; D829-K848 PolarHBondContact O-NZ 3.49Å; D830-K848 IonicContact OD1-NZ 3.72Å; D830-K848 PolarHBondContact OD1-NZ 3.09Å; F832-K848 HydrophobicContact CD1-CB 4.16Å; F832-K848 HydrophobicContact CE1-CB 4.35Å; S845-K848 PolarHBondContact O-N 2.95Å; S845-K848 PolarHBondContact OG-N 2.68Å; K848-E850 VanDerWaalsContact C-N 3.33Å; K848-E850 PolarHBondContact O-N 3.34Å; K848-L852 VanDerWaalsContact O-CB 3.27Å; K848-L852 WeakPolarHBondContact O-CB 3.46Å; K848-L852 WeakPolarHBondContact O-CD1 3.46Å; K848-L852 WeakPolarHBondContact O-CG 3.36Å; K848-L852 PolarHBondContact O-N 2.95Å
849T89.6Confident92.4Very high7 Ų723 Ų234%0.04311%0.11CC..Hα-helixtrans-61.1-41.9179.4-56.20000111.5A720 L724 R730 F739 F847 S853A720-T849 HydrophobicContact CB-CG2 4.22Å; A720-T849 VanDerWaalsContact O-CG2 3.29Å; A720-T849 WeakPolarHBondContact O-CG2 3.3Å; L724-T849 HydrophobicContact CD1-CG2 4.13Å; R730-T849 PolarHBondContact NH1-OG1 2.83Å; F739-T849 HydrophobicContact CZ-CG2 4.31Å; F847-T849 PolarHBondContact O-N 3.43Å; T849-S853 PolarHBondContact O-N 3.31Å
850E89.9Confident92.5Very high6 Ų625.1 Ų25.13%0.02812%0.121CC..Hα-helixtrans-75.7-47.6-179.1-177.8175.3172.900111.1F739 V740 G741 Y743 F764 F847 K848 L852 S853 L854F739-E850 WeakPolarHBondContact CA-OE1 3.49Å; F739-E850 WeakPolarHBondContact CA-OE2 3.31Å; F739-E850 HydrophobicContact CB-CG 3.94Å; F739-E850 VanDerWaalsContact CB-OE1 3.3Å; F739-E850 WeakPolarHBondContact CB-OE1 3.23Å; F739-E850 HydrophobicContact CD1-CB 3.7Å; F739-E850 HydrophobicContact CD1-CG 3.74Å; F739-E850 VanDerWaalsContact CD1-OE2 3.24Å; F739-E850 WeakPolarHBondContact CD1-OE2 3.49Å; F739-E850 HydrophobicContact CD2-CG 4.1Å; F739-E850 HydrophobicContact CE1-CB 3.79Å; F739-E850 HydrophobicContact CE1-CG 4.28Å; F739-E850 HydrophobicContact CG-CB 4.11Å; F739-E850 HydrophobicContact CG-CG 3.66Å; F739-E850 HydrophobicContact CZ-CB 4.23Å; V740-E850 PolarHBondContact N-OE1 3.08Å; G741-E850 PolarHBondContact N-OE1 3.37Å; Y743-E850 WeakPolarHBondContact CE2-OE2 3.37Å; Y743-E850 PolarHBondContact OH-OE2 2.97Å; F764-E850 HydrophobicContact CD2-CG 4.12Å; F764-E850 HydrophobicContact CE2-CB 4.46Å; F764-E850 HydrophobicContact CE2-CG 4.39Å; F847-E850 WeakPolarHBondContact O-CB 3.47Å; F847-E850 PolarHBondContact O-N 3.07Å; K848-E850 VanDerWaalsContact C-N 3.33Å; K848-E850 PolarHBondContact O-N 3.34Å; E850-L852 VanDerWaalsContact C-N 3.31Å; E850-L852 PolarHBondContact O-N 2.58Å; E850-S853 PolarHBondContact O-N 3.21Å; E850-L854 HydrophobicContact CG-CD1 4.05Å; E850-L854 WeakPolarHBondContact O-CG 3.48Å; E850-L854 PolarHBondContact O-N 3.49Å
851F92.9Very high92.4Very high0 Ų028.6 Ų28.60%014%0.137CC..Hα-helixtrans-53.7-47.5174.1173.9-105.9000111.7F764 L782 L784 I789 F832 F847 L854 L855F764-F851 HydrophobicContact CD1-CB 4.17Å; F764-F851 AromaticContact CD1-CD2 3.58Å; F764-F851 HydrophobicContact CD1-CD2 3.58Å; F764-F851 HydrophobicContact CD1-CE2 4.49Å; F764-F851 HydrophobicContact CD1-CG 4.31Å; F764-F851 HydrophobicContact CD2-CB 4.43Å; F764-F851 HydrophobicContact CE1-CB 3.85Å; F764-F851 AromaticContact CE1-CD2 3.75Å; F764-F851 HydrophobicContact CE1-CD2 3.75Å; F764-F851 HydrophobicContact CE1-CG 4.13Å; F764-F851 HydrophobicContact CE2-CB 4.13Å; F764-F851 HydrophobicContact CG-CB 4.43Å; F764-F851 HydrophobicContact CG-CD2 4.28Å; F764-F851 HydrophobicContact CZ-CB 3.82Å; L782-F851 HydrophobicContact CD1-CE2 4.13Å; L782-F851 HydrophobicContact CD1-CZ 4.25Å; L782-F851 HydrophobicContact CD2-CD2 3.99Å; L782-F851 HydrophobicContact CD2-CE1 4.34Å; L782-F851 HydrophobicContact CD2-CE2 3.78Å; L782-F851 HydrophobicContact CD2-CG 4.35Å; L782-F851 HydrophobicContact CD2-CZ 3.96Å; L782-F851 HydrophobicContact CG-CD2 4.5Å; L782-F851 HydrophobicContact CG-CE2 4.06Å; L782-F851 HydrophobicContact CG-CZ 4.49Å; L784-F851 HydrophobicContact CB-CE2 4.29Å; L784-F851 HydrophobicContact CD2-CD2 4.44Å; L784-F851 HydrophobicContact CD2-CE2 4.49Å; I789-F851 HydrophobicContact CD1-CZ 4.26Å; F832-F851 HydrophobicContact CD2-CE1 4.46Å; F832-F851 AromaticContact CE2-CD1 3.92Å; F832-F851 HydrophobicContact CE2-CD1 3.92Å; F832-F851 AromaticContact CE2-CE1 3.54Å; F832-F851 HydrophobicContact CE2-CE1 3.54Å; F832-F851 AromaticContact CZ-CD1 3.93Å; F832-F851 HydrophobicContact CZ-CD1 3.93Å; F832-F851 AromaticContact CZ-CE1 3.9Å; F832-F851 HydrophobicContact CZ-CE1 3.9Å; F847-F851 PolarHBondContact O-N 2.97Å; F851-L854 PolarHBondContact O-N 2.9Å; F851-L855 HydrophobicContact CE1-CD2 3.68Å; F851-L855 HydrophobicContact CZ-CD2 3.78Å; F851-L855 WeakPolarHBondContact O-CB 3.41Å; F851-L855 PolarHBondContact O-N 3.38Å
852L92.3Very high92.3Very high1 Ų132.5 Ų32.51%0.00516%0.16CC..Hα-helixtrans-69.5-33.1-178.8-67.9171.4000112.9V822 L824 K848 E850 L855 S856V822-L852 HydrophobicContact CB-CD2 4.27Å; V822-L852 HydrophobicContact CG1-CD2 3.8Å; V822-L852 HydrophobicContact CG2-CD2 3.93Å; L824-L852 HydrophobicContact CD1-CD1 4.03Å; L824-L852 HydrophobicContact CD2-CD1 3.83Å; L824-L852 HydrophobicContact CG-CD1 4.44Å; K848-L852 VanDerWaalsContact O-CB 3.27Å; K848-L852 WeakPolarHBondContact O-CB 3.46Å; K848-L852 WeakPolarHBondContact O-CD1 3.46Å; K848-L852 WeakPolarHBondContact O-CG 3.36Å; K848-L852 PolarHBondContact O-N 2.95Å; E850-L852 VanDerWaalsContact C-N 3.31Å; E850-L852 PolarHBondContact O-N 2.58Å; L852-L855 HydrophobicContact CD2-CD2 4.44Å; L852-S856 VanDerWaalsContact O-CB 3.24Å; L852-S856 WeakPolarHBondContact O-CB 3.4Å; L852-S856 PolarHBondContact O-N 2.86Å; L852-S856 PolarHBondContact O-OG 3.3Å
853S90.3Very high92.1Very high16 Ų1633.9 Ų33.911%0.11217%0.169CC..Hα-helixtrans-66.2-46.2173.7-168.90000112.1A720 T849 E850 K857A720-S853 WeakPolarHBondContact CA-OG 3.46Å; A720-S853 VanDerWaalsContact CB-CB 3.41Å; A720-S853 WeakPolarHBondContact CB-OG 3.34Å; T849-S853 PolarHBondContact O-N 3.31Å; E850-S853 PolarHBondContact O-N 3.21Å; S853-K857 WeakPolarHBondContact O-CB 3.38Å; S853-K857 PolarHBondContact O-N 2.79Å; S853-K857 VanDerWaalsContact O-N 3.14Å
854L91.4Very high91.8Very high43 Ų4341.3 Ų41.323%0.22520%0.204CC..Hα-helixtrans-69.5-39.2179.2-66.3167.5000111.2D763 F764 L784 E850 F851 K857 R858D763-L854 WeakPolarHBondContact O-CD1 3.44Å; F764-L854 HydrophobicContact CB-CD1 3.85Å; L784-L854 HydrophobicContact CD2-CB 3.59Å; E850-L854 HydrophobicContact CG-CD1 4.05Å; E850-L854 WeakPolarHBondContact O-CG 3.48Å; E850-L854 PolarHBondContact O-N 3.49Å; F851-L854 PolarHBondContact O-N 2.9Å; L854-K857 PolarHBondContact O-N 2.8Å; L854-R858 WeakPolarHBondContact O-CG 3.43Å; L854-R858 PolarHBondContact O-N 3.15Å
855L93.5Very high91.6Very high0 Ų047.4 Ų47.40%023%0.225CC..Hα-helixtrans-64.4-49175.4173.156.4000112L784 I789 F816 I819 V822 L834 F851 L852 K857 R858 Y859 M867L784-L855 HydrophobicContact CD1-CD1 4.4Å; L784-L855 HydrophobicContact CD2-CB 4.4Å; I789-L855 HydrophobicContact CD1-CD1 3.75Å; I789-L855 HydrophobicContact CD1-CD2 4.25Å; I789-L855 HydrophobicContact CG1-CD1 4.38Å; F816-L855 HydrophobicContact CD1-CD1 4.01Å; F816-L855 HydrophobicContact CE1-CD1 3.72Å; I819-L855 HydrophobicContact CD1-CD1 4.02Å; V822-L855 HydrophobicContact CG2-CD2 4.29Å; L834-L855 HydrophobicContact CD1-CD2 3.97Å; F851-L855 HydrophobicContact CE1-CD2 3.68Å; F851-L855 HydrophobicContact CZ-CD2 3.78Å; F851-L855 WeakPolarHBondContact O-CB 3.41Å; F851-L855 PolarHBondContact O-N 3.38Å; L852-L855 HydrophobicContact CD2-CD2 4.44Å; L855-K857 VanDerWaalsContact C-N 3.25Å; L855-K857 PolarHBondContact O-N 3.15Å; L855-R858 PolarHBondContact O-N 3.39Å; L855-Y859 VanDerWaalsContact O-CB 3.29Å; L855-Y859 WeakPolarHBondContact O-CB 3.31Å; L855-Y859 PolarHBondContact O-N 3.08Å; L855-M867 HydrophobicContact CD1-CE 3.83Å; L855-M867 HydrophobicContact CD2-CE 4.12Å; L855-M867 HydrophobicContact CD2-SD 4.18Å; L855-M867 HydrophobicContact CG-CE 3.64Å; L855-M867 HydrophobicContact CG-SD 4.07Å
856S92.3Very high91.4Very high16 Ų1654.8 Ų54.811%0.11226%0.256CS..Hα-helixtrans-58-43.3178.6-580000110.6L852 Y859 E860L852-S856 VanDerWaalsContact O-CB 3.24Å; L852-S856 WeakPolarHBondContact O-CB 3.4Å; L852-S856 PolarHBondContact O-N 2.86Å; L852-S856 PolarHBondContact O-OG 3.3Å; S856-Y859 PolarHBondContact O-N 2.96Å; S856-E860 WeakPolarHBondContact O-CB 3.19Å; S856-E860 PolarHBondContact O-N 2.8Å
857K90.4Very high91.4Very high104 Ų10451.9 Ų51.945%0.45224%0.241SC..Hα-helixtrans-64.2-48.7176.8-177.9164.8-170.7135.60113S853 L854 L855 Y859 E860 E861S853-K857 WeakPolarHBondContact O-CB 3.38Å; S853-K857 PolarHBondContact O-N 2.79Å; S853-K857 VanDerWaalsContact O-N 3.14Å; L854-K857 PolarHBondContact O-N 2.8Å; L855-K857 VanDerWaalsContact C-N 3.25Å; L855-K857 PolarHBondContact O-N 3.15Å; K857-Y859 VanDerWaalsContact C-N 3.31Å; K857-Y859 PolarHBondContact O-N 3.09Å; K857-E860 PolarHBondContact O-N 2.85Å; K857-E861 WeakPolarHBondContact CE-OE1 3.38Å; K857-E861 HydrophobicContact CG-CG 4.37Å; K857-E861 WeakPolarHBondContact CG-OE1 3.27Å; K857-E861 WeakPolarHBondContact O-CB 3.43Å; K857-E861 VanDerWaalsContact O-CG 3.28Å; K857-E861 WeakPolarHBondContact O-CG 3.37Å; K857-E861 PolarHBondContact O-N 3.11Å
858R92.3Very high91.4Very high40 Ų4055.1 Ų55.115%0.15126%0.263CS..Hα-helixtrans-64.5-35.4177.6-71-54.2-172.5-158.7-1.6112.5D763 F816 L854 L855 E861 V862D763-R858 IonicContact OD1-CZ 2.68Å; D763-R858 IonicContact OD1-NH2 2.85Å; D763-R858 PolarHBondContact OD1-NH2 3.24Å; D763-R858 IonicContact OD2-CZ 2.91Å; D763-R858 IonicContact OD2-NE 2.67Å; D763-R858 PolarHBondContact OD2-NE 2.74Å; D763-R858 IonicContact OD2-NH2 2.94Å; D763-R858 PolarHBondContact OD2-NH2 3.5Å; F816-R858 HydrophobicContact CD1-CB 4.48Å; F816-R858 HydrophobicContact CE1-CB 3.77Å; F816-R858 HydrophobicContact CE2-CB 4.12Å; F816-R858 HydrophobicContact CZ-CB 3.57Å; F816-R858 HydrophobicContact CZ-CG 4.28Å; L854-R858 WeakPolarHBondContact O-CG 3.43Å; L854-R858 PolarHBondContact O-N 3.15Å; L855-R858 PolarHBondContact O-N 3.39Å; R858-E861 VanDerWaalsContact CD-OE2 3.3Å; R858-E861 WeakPolarHBondContact CD-OE2 3.23Å; R858-E861 IonicContact CZ-OE2 3.61Å; R858-E861 IonicContact NE-OE2 3.66Å; R858-E861 IonicContact NH1-OE1 3.55Å; R858-E861 IonicContact NH1-OE2 3.97Å; R858-E861 PolarHBondContact NH1-OE2 3.22Å; R858-V862 VanDerWaalsContact O-CB 3.31Å; R858-V862 WeakPolarHBondContact O-CB 3.36Å; R858-V862 VanDerWaalsContact O-CG2 3.26Å; R858-V862 WeakPolarHBondContact O-CG2 3.18Å; R858-V862 PolarHBondContact O-N 3.16Å
859Y93.1Very high91.5Very high30 Ų3056.8 Ų56.812%0.11827%0.271CS..Hα-helixtrans-66.2-43.5173.5179.4-87.2000111.8F816 I819 L855 S856 K857 V862 T863 R865 M867F816-Y859 HydrophobicContact CB-CD2 4.29Å; F816-Y859 WeakPolarHBondContact O-CD2 3.31Å; F816-Y859 VanDerWaalsContact O-CE2 3.32Å; F816-Y859 WeakPolarHBondContact O-CE2 3.47Å; I819-Y859 HydrophobicContact CB-CD2 4.37Å; I819-Y859 HydrophobicContact CB-CE2 4.34Å; I819-Y859 WeakPolarHBondContact O-CE2 3.31Å; L855-Y859 VanDerWaalsContact O-CB 3.29Å; L855-Y859 WeakPolarHBondContact O-CB 3.31Å; L855-Y859 PolarHBondContact O-N 3.08Å; S856-Y859 PolarHBondContact O-N 2.96Å; K857-Y859 VanDerWaalsContact C-N 3.31Å; K857-Y859 PolarHBondContact O-N 3.09Å; Y859-V862 PolarHBondContact O-N 2.87Å; Y859-T863 HydrophobicContact CD2-CG2 3.92Å; Y859-T863 HydrophobicContact CE1-CG2 4.48Å; Y859-T863 VanDerWaalsContact CE1-OG1 3.32Å; Y859-T863 WeakPolarHBondContact CE1-OG1 3.36Å; Y859-T863 HydrophobicContact CE2-CG2 3.81Å; Y859-T863 HydrophobicContact CG-CG2 4.31Å; Y859-T863 VanDerWaalsContact O-CB 3.32Å; Y859-T863 WeakPolarHBondContact O-CB 3.5Å; Y859-T863 WeakPolarHBondContact O-CG2 3.28Å; Y859-T863 PolarHBondContact O-N 3.3Å; Y859-T863 PolarHBondContact O-OG1 2.92Å; Y859-R865 WeakPolarHBondContact CD1-O 3.47Å; Y859-R865 HydrophobicContact CE1-CB 4.33Å; Y859-R865 VanDerWaalsContact CE1-O 3.26Å; Y859-R865 WeakPolarHBondContact CE1-O 3.33Å; Y859-M867 VanDerWaalsContact CB-CE 3.47Å; Y859-M867 HydrophobicContact CD1-CB 3.7Å; Y859-M867 HydrophobicContact CD1-CE 4.18Å; Y859-M867 HydrophobicContact CD2-CE 3.64Å; Y859-M867 HydrophobicContact CE1-CB 4.1Å; Y859-M867 HydrophobicContact CE2-CE 4.42Å; Y859-M867 HydrophobicContact CG-CB 4.19Å; Y859-M867 HydrophobicContact CG-CE 3.49Å; Y859-M867 VanDerWaalsContact CG-CE 3.49Å
860E92.1Very high91.7Very high83 Ų8358.9 Ų58.939%0.38829%0.287SS..Hα-helixtrans-66-43.5176.3-171.3167.7-15900111.8S856 K857 V862 Q864 R865 K866S856-E860 WeakPolarHBondContact O-CB 3.19Å; S856-E860 PolarHBondContact O-N 2.8Å; K857-E860 PolarHBondContact O-N 2.85Å; E860-V862 PolarHBondContact O-N 2.9Å; E860-Q864 VanDerWaalsContact O-CA 3.23Å; E860-Q864 WeakPolarHBondContact O-CA 3.46Å; E860-Q864 PolarHBondContact O-N 3.14Å; E860-R865 WeakPolarHBondContact CA-O 3.27Å; E860-K866 HydrophobicContact CG-CG 4.41Å; E860-K866 WeakPolarHBondContact OE1-CE 3.41Å; E860-K866 WeakPolarHBondContact OE1-CG 3.38Å
861E91.6Very high91.9Very high83 Ų8361.4 Ų61.439%0.38830%0.297SS..Hα-helixtrans-59.9-41.5174.6-73170.6-178.600112.7K857 R858 Q864K857-E861 WeakPolarHBondContact CE-OE1 3.38Å; K857-E861 HydrophobicContact CG-CG 4.37Å; K857-E861 WeakPolarHBondContact CG-OE1 3.27Å; K857-E861 WeakPolarHBondContact O-CB 3.43Å; K857-E861 VanDerWaalsContact O-CG 3.28Å; K857-E861 WeakPolarHBondContact O-CG 3.37Å; K857-E861 PolarHBondContact O-N 3.11Å; R858-E861 VanDerWaalsContact CD-OE2 3.3Å; R858-E861 WeakPolarHBondContact CD-OE2 3.23Å; R858-E861 IonicContact CZ-OE2 3.61Å; R858-E861 IonicContact NE-OE2 3.66Å; R858-E861 IonicContact NH1-OE1 3.55Å; R858-E861 IonicContact NH1-OE2 3.97Å; R858-E861 PolarHBondContact NH1-OE2 3.22Å; E861-Q864 PolarHBondContact O-NE2 3.49Å
862V92.1Very high92Very high82 Ų8263.9 Ų63.950%0.49732%0.315SS..Hα-helixtrans-87.2-34.7-175.5173.20000113.5F816 R858 Y859 E860F816-V862 HydrophobicContact CB-CB 4.31Å; F816-V862 HydrophobicContact CB-CG1 4.12Å; F816-V862 HydrophobicContact CD2-CB 4.18Å; F816-V862 HydrophobicContact CD2-CG1 4.21Å; F816-V862 HydrophobicContact CD2-CG2 3.92Å; F816-V862 HydrophobicContact CE2-CG2 4.39Å; R858-V862 VanDerWaalsContact O-CB 3.31Å; R858-V862 WeakPolarHBondContact O-CB 3.36Å; R858-V862 VanDerWaalsContact O-CG2 3.26Å; R858-V862 WeakPolarHBondContact O-CG2 3.18Å; R858-V862 PolarHBondContact O-N 3.16Å; Y859-V862 PolarHBondContact O-N 2.87Å; E860-V862 PolarHBondContact O-N 2.9Å
863T90.8Very high92Very high32 Ų3265.5 Ų65.520%0.19632%0.323CS..Hα-helixtrans-103.4-9.2-175.271.90000114.1F816 Y859 R865F816-T863 HydrophobicContact CB-CG2 4.37Å; Y859-T863 HydrophobicContact CD2-CG2 3.92Å; Y859-T863 HydrophobicContact CE1-CG2 4.48Å; Y859-T863 VanDerWaalsContact CE1-OG1 3.32Å; Y859-T863 WeakPolarHBondContact CE1-OG1 3.36Å; Y859-T863 HydrophobicContact CE2-CG2 3.81Å; Y859-T863 HydrophobicContact CG-CG2 4.31Å; Y859-T863 VanDerWaalsContact O-CB 3.32Å; Y859-T863 WeakPolarHBondContact O-CB 3.5Å; Y859-T863 WeakPolarHBondContact O-CG2 3.28Å; Y859-T863 PolarHBondContact O-N 3.3Å; Y859-T863 PolarHBondContact O-OG1 2.92Å; T863-R865 PolarHBondContact O-N 2.91Å; T863-R865 PolarHBondContact OG1-N 3.46Å; T863-R865 PolarHBondContact OG1-O 3.31Å
864Q90.2Very high92.3Very high155 Ų15573.3 Ų73.372%0.72435%0.35SS*.SBendtrans55.528.7-172.9-57.8-64.7-55.800113E860 E861E860-Q864 VanDerWaalsContact O-CA 3.23Å; E860-Q864 WeakPolarHBondContact O-CA 3.46Å; E860-Q864 PolarHBondContact O-N 3.14Å; E861-Q864 PolarHBondContact O-NE2 3.49Å
865R90.4Very high92.4Very high181 Ų18171.6 Ų71.668%0.68334%0.342SS*.SBendtrans-137.8144.8179.7-64.6174.9-175.9-174.30.2110Y859 E860 T863Y859-R865 WeakPolarHBondContact CD1-O 3.47Å; Y859-R865 HydrophobicContact CE1-CB 4.33Å; Y859-R865 VanDerWaalsContact CE1-O 3.26Å; Y859-R865 WeakPolarHBondContact CE1-O 3.33Å; E860-R865 WeakPolarHBondContact CA-O 3.27Å; T863-R865 PolarHBondContact O-N 2.91Å; T863-R865 PolarHBondContact OG1-N 3.46Å; T863-R865 PolarHBondContact OG1-O 3.31Å
866K89.6Confident92.3Very high158 Ų15877 Ų7769%0.68737%0.367SS*.PPolyproline II helixtrans-72.5139.4173.8-72.1-178.2176.5-179.70110.9E860E860-K866 HydrophobicContact CG-CG 4.41Å; E860-K866 WeakPolarHBondContact OE1-CE 3.41Å; E860-K866 WeakPolarHBondContact OE1-CG 3.38Å
867M91.9Very high92.3Very high20 Ų2076.7 Ų76.710%0.09936%0.364CS..PPolyproline II helixtrans-70.1131176.6-178.6171-67.500110.6I819 V822 L855 Y859 I869I819-M867 HydrophobicContact CG2-CE 3.83Å; V822-M867 HydrophobicContact CG2-SD 3.77Å; L855-M867 HydrophobicContact CD1-CE 3.83Å; L855-M867 HydrophobicContact CD2-CE 4.12Å; L855-M867 HydrophobicContact CD2-SD 4.18Å; L855-M867 HydrophobicContact CG-CE 3.64Å; L855-M867 HydrophobicContact CG-SD 4.07Å; Y859-M867 VanDerWaalsContact CB-CE 3.47Å; Y859-M867 HydrophobicContact CD1-CB 3.7Å; Y859-M867 HydrophobicContact CD1-CE 4.18Å; Y859-M867 HydrophobicContact CD2-CE 3.64Å; Y859-M867 HydrophobicContact CE1-CB 4.1Å; Y859-M867 HydrophobicContact CE2-CE 4.42Å; Y859-M867 HydrophobicContact CG-CB 4.19Å; Y859-M867 HydrophobicContact CG-CE 3.49Å; Y859-M867 VanDerWaalsContact CG-CE 3.49Å; M867-I869 HydrophobicContact CG-CG1 4.27Å; M867-I869 PolarHBondContact O-N 3.32Å
868T92.1Very high92.3Very high96 Ų9678 Ų7859%0.58937%0.369SS*.PPolyproline II helixtrans-71.7120.8170.5-52.10000110G821 V822G821-T868 CarbonylContact C-O 3.54Å; G821-T868 WeakPolarHBondContact CA-O 3.48Å; V822-T868 PolarHBondContact N-O 3.04Å
869I93.6Very high92Very high39 Ų3977.3 Ų77.320%0.237%0.369CS..EExtended strand (participates in β ladder)trans-120.2120.5174.2-58.6176.5000108.2I723 V822 L824 M867 F871I723-I869 HydrophobicContact CG2-CD1 3.64Å; V822-I869 CarbonylContact O-C 3.59Å; V822-I869 VanDerWaalsContact O-CA 3.31Å; V822-I869 WeakPolarHBondContact O-CA 3.07Å; L824-I869 HydrophobicContact CD1-CG2 3.61Å; M867-I869 HydrophobicContact CG-CG1 4.27Å; M867-I869 PolarHBondContact O-N 3.32Å; I869-F871 HydrophobicContact CG2-CE1 4.4Å; I869-F871 HydrophobicContact CG2-CE2 3.78Å; I869-F871 HydrophobicContact CG2-CZ 3.65Å
870S93.9Very high91.5Very high52 Ų5280.7 Ų80.736%0.36439%0.385SS..EExtended strand (participates in β ladder)trans-115145-174.942.30000112.4V822 S823 L824V822-S870 PolarHBondContact O-N 3.16Å; V822-S870 PolarHBondContact O-OG 3.03Å; S823-S870 CarbonylContact C-O 3.41Å; S823-S870 WeakPolarHBondContact CA-O 3.42Å; S823-S870 PolarHBondContact OG-OG 3.33Å; L824-S870 PolarHBondContact N-O 3.31Å
871F94.1Very high90.7Very high58 Ų5883.6 Ų83.625%0.25440%0.396SS..EExtended strand (participates in β ladder)trans-124.7119.9-175.4-60-89.5000111L724 K728 L824 I869L724-F871 HydrophobicContact CD2-CE1 3.76Å; L724-F871 HydrophobicContact CD2-CZ 3.87Å; K728-F871 HydrophobicContact CB-CD1 4.17Å; K728-F871 HydrophobicContact CB-CE1 4.02Å; L824-F871 HydrophobicContact CB-CD1 4.03Å; L824-F871 HydrophobicContact CB-CE1 4.13Å; L824-F871 HydrophobicContact CD1-CE1 4.12Å; L824-F871 VanDerWaalsContact O-CA 3.31Å; L824-F871 WeakPolarHBondContact O-CA 3.31Å; I869-F871 HydrophobicContact CG2-CE1 4.4Å; I869-F871 HydrophobicContact CG2-CE2 3.78Å; I869-F871 HydrophobicContact CG2-CZ 3.65Å
872S93.8Very high89.4Confident53 Ų5385 Ų8537%0.37140%0.403SS..  trans-156.9139175.5167.60000110.6L824 S825 R874 L875L824-S872 PolarHBondContact O-N 2.62Å; S825-S872 WeakPolarHBondContact CA-O 3.37Å; S872-R874 PolarHBondContact O-N 2.96Å; S872-R874 PolarHBondContact OG-N 3.45Å; S872-R874 PolarHBondContact OG-O 3.24Å; S872-L875 WeakPolarHBondContact O-CD2 3.35Å; S872-L875 WeakPolarHBondContact O-CG 3.33Å
873D93.5Very high87.9Confident34 Ų3484 Ų8418%0.18241%0.408CS..SBendtrans-72.4-3.8173-75.114.1000112.2S826 R827 V893 F894S826-D873 WeakPolarHBondContact CA-OD1 3.31Å; S826-D873 WeakPolarHBondContact CB-OD1 3.13Å; S826-D873 PolarHBondContact N-OD1 3Å; S826-D873 PolarHBondContact OG-OD1 2.57Å; R827-D873 IonicContact CZ-OD2 3.39Å; R827-D873 IonicContact NE-OD2 3.31Å; R827-D873 PolarHBondContact NE-OD2 3.08Å; R827-D873 IonicContact NH2-OD2 2.95Å; R827-D873 PolarHBondContact NH2-OD2 2.92Å; D873-V893 CarbonylContact O-C 3.58Å; D873-V893 WeakPolarHBondContact O-CA 3.33Å; D873-F894 HydrophobicContact CB-CB 4.32Å; D873-F894 PolarHBondContact O-N 3.47Å
874R94.8Very high85.7Confident180 Ų18095.9 Ų95.968%0.67945%0.45SS*.EExtended strand (participates in β ladder)trans-126108.7167.7179.4171.2177.1160.7-3.3109.6S872 V891 V892 V893S872-R874 PolarHBondContact O-N 2.96Å; S872-R874 PolarHBondContact OG-N 3.45Å; S872-R874 PolarHBondContact OG-O 3.24Å; R874-V891 HydrophobicContact CG-CG1 3.86Å; R874-V892 WeakPolarHBondContact CA-O 3.45Å; R874-V893 HydrophobicContact CG-CG2 4.28Å
875L93.8Very high83.7Confident8 Ų890.6 Ų90.64%0.04244%0.437CS..EExtended strand (participates in β ladder)trans-109.4146.2-178.1-55.8-176.2000111.1I833 S872 V891 V892 F894I833-L875 HydrophobicContact CD1-CB 3.56Å; I833-L875 HydrophobicContact CD1-CD1 3.72Å; I833-L875 HydrophobicContact CD1-CG 4.27Å; S872-L875 WeakPolarHBondContact O-CD2 3.35Å; S872-L875 WeakPolarHBondContact O-CG 3.33Å; L875-V891 CarbonylContact O-C 3.55Å; L875-V891 VanDerWaalsContact O-CA 3.27Å; L875-V891 WeakPolarHBondContact O-CA 3.4Å; L875-V891 WeakPolarHBondContact O-CG1 3.45Å; L875-V892 PolarHBondContact N-O 3.01Å; L875-V892 PolarHBondContact O-N 3.46Å; L875-F894 HydrophobicContact CD1-CE2 3.79Å; L875-F894 HydrophobicContact CD1-CZ 4.43Å; L875-F894 HydrophobicContact CG-CE2 4.11Å
876E91.8Very high81.6Confident114 Ų11485.1 Ų85.153%0.53344%0.437SS..EExtended strand (participates in β ladder)trans-120.6142.2173.5-174167.6-178.400110S889 R890E876-S889 WeakPolarHBondContact OE1-CB 3.29Å; E876-S889 PolarHBondContact OE1-OG 3.21Å; E876-R890 CarbonylContact C-O 3.5Å; E876-R890 WeakPolarHBondContact CA-O 3.1Å
877F91.6Very high80Confident9 Ų980.1 Ų80.14%0.03943%0.43CS..EExtended strand (participates in β ladder)trans-140.3144.7178.173.4-86.2000113.4F775 I833 D840 L842 V879 S889 R890 V892F775-F877 HydrophobicContact CD1-CZ 4.46Å; F775-F877 AromaticContact CE1-CE1 3.95Å; F775-F877 HydrophobicContact CE1-CE1 3.95Å; F775-F877 AromaticContact CE1-CZ 3.95Å; F775-F877 HydrophobicContact CE1-CZ 3.95Å; I833-F877 HydrophobicContact CD1-CB 4.09Å; I833-F877 HydrophobicContact CD1-CD1 4.27Å; I833-F877 HydrophobicContact CG1-CB 4.37Å; I833-F877 HydrophobicContact CG2-CB 3.74Å; D840-F877 HydrophobicContact CB-CB 3.89Å; D840-F877 VanDerWaalsContact OD2-CA 3.31Å; D840-F877 WeakPolarHBondContact OD2-CA 3.47Å; L842-F877 HydrophobicContact CB-CE1 4.31Å; L842-F877 HydrophobicContact CB-CE2 4.24Å; L842-F877 HydrophobicContact CB-CZ 4.12Å; L842-F877 HydrophobicContact CD2-CE1 3.75Å; L842-F877 HydrophobicContact CD2-CZ 3.87Å; F877-V879 HydrophobicContact CD2-CG2 4.4Å; F877-V879 HydrophobicContact CE2-CG2 4.07Å; F877-S889 CarbonylContact O-C 3.51Å; F877-S889 VanDerWaalsContact O-CA 3.31Å; F877-S889 WeakPolarHBondContact O-CA 3.4Å; F877-R890 HydrophobicContact CD1-CB 3.95Å; F877-R890 WeakPolarHBondContact CD1-O 3.49Å; F877-R890 HydrophobicContact CE1-CB 3.46Å; F877-R890 VanDerWaalsContact CE1-CB 3.46Å; F877-R890 HydrophobicContact CE2-CB 4.12Å; F877-R890 HydrophobicContact CG-CB 4.47Å; F877-R890 HydrophobicContact CZ-CB 3.56Å; F877-R890 HydrophobicContact CZ-CG 4.18Å; F877-R890 PolarHBondContact N-O 3.26Å; F877-R890 PolarHBondContact O-N 3.13Å; F877-V892 HydrophobicContact CD1-CG2 4.06Å; F877-V892 HydrophobicContact CE1-CG2 3.74Å
878K90.8Very high79Confident131 Ų13182.3 Ų82.357%0.5745%0.445SS*.EExtended strand (participates in β ladder)trans-80.5126.7179.2-64174.2-177.5174.30110.5D840D840-K878 PolarHBondContact N-O 2.91Å; D840-K878 PolarHBondContact OD2-N 3.12Å
879V87.2Confident78.7Confident25 Ų2579.7 Ų79.715%0.15243%0.431CS..PPolyproline II helixtrans-92.9141.7176.9178.20000110.3R773 F877 K881 T888 R890R773-V879 HydrophobicContact CB-CG1 3.5Å; R773-V879 VanDerWaalsContact CB-CG1 3.5Å; R773-V879 HydrophobicContact CB-CG2 4.47Å; F877-V879 HydrophobicContact CD2-CG2 4.4Å; F877-V879 HydrophobicContact CE2-CG2 4.07Å; V879-K881 PolarHBondContact O-N 2.94Å; V879-T888 WeakPolarHBondContact CB-O 3.46Å; V879-R890 HydrophobicContact CG2-CB 4.27Å; V879-R890 HydrophobicContact CG2-CG 3.59Å
880K82.7Confident78.6Confident101 Ų10179.5 Ų79.544%0.43943%0.427SS..PPolyproline II helixtrans-49.9125.5172.2-174.3-168.8170.1-153.80111Y839 E882Y839-K880 HydrophobicContact CD1-CB 3.88Å; Y839-K880 HydrophobicContact CD1-CG 3.91Å; Y839-K880 HydrophobicContact CD2-CB 3.81Å; Y839-K880 HydrophobicContact CE1-CB 4.14Å; Y839-K880 HydrophobicContact CE1-CD 4.22Å; Y839-K880 HydrophobicContact CE1-CG 3.88Å; Y839-K880 HydrophobicContact CE2-CB 4.06Å; Y839-K880 HydrophobicContact CG-CB 3.72Å; Y839-K880 HydrophobicContact CG-CG 4.28Å; K880-E882 HydrophobicContact CD-CG 4.23Å; K880-E882 WeakPolarHBondContact CE-OE1 3.4Å; K880-E882 HydrophobicContact CG-CG 4.37Å; K880-E882 IonicContact NZ-OE1 3.79Å; K880-E882 PolarHBondContact NZ-OE1 2.97Å
881K73.9Confident78.5Confident144 Ų14478 Ų7863%0.62642%0.416SS*.PPolyproline II helixtrans-71.3127175.2-170.1-179.8-179.9-176.10110.2V879 G885V879-K881 PolarHBondContact O-N 2.94Å; K881-G885 WeakPolarHBondContact CE-O 3.35Å
882E64.1Low78.5Confident114 Ų11475.3 Ų75.353%0.53340%0.404SS..  trans-138.3111176.1-65.7-174.1154.400108.9K880K880-E882 HydrophobicContact CD-CG 4.23Å; K880-E882 WeakPolarHBondContact CE-OE1 3.4Å; K880-E882 HydrophobicContact CG-CG 4.37Å; K880-E882 IonicContact NZ-OE1 3.79Å; K880-E882 PolarHBondContact NZ-OE1 2.97Å
883G62.1Low78.5Confident59 Ų5974.7 Ų74.761%0.60840%0.398SS*.SBendtrans95.2179-178.400000115.5G885G883-G885 VanDerWaalsContact C-N 3.3Å; G883-G885 PolarHBondContact O-N 2.87Å
884W43.4Very low78.6Confident282 Ų28273.4 Ų73.4100%1.06839%0.391SS*.SBendtrans-79.277.5175.7-117.156.8000110.2
885G49.6Very low78.5Confident44 Ų4469.3 Ų69.345%0.45438%0.38SS..SBendtrans-167.4146.5176.900000110.6K881 G883K881-G885 WeakPolarHBondContact CE-O 3.35Å; G883-G885 VanDerWaalsContact C-N 3.3Å; G883-G885 PolarHBondContact O-N 2.87Å
886G45.4Very low78.3Confident66 Ų6676.7 Ų76.768%0.6841%0.407SS*.  trans-60.5143.6-176.700000113.1T888G886-T888 PolarHBondContact O-N 3.06Å
887G55.9Low78.1Confident54 Ų5472.6 Ų72.656%0.55740%0.395SS*.  trans-6990.517800000111.5S889G887-S889 PolarHBondContact O-N 3.14Å
888T71.9Confident77.5Confident65 Ų6580.2 Ų80.240%0.39943%0.431SS..  trans-68.2130.6178.662.50000111V879 G886 R890V879-T888 WeakPolarHBondContact CB-O 3.46Å; G886-T888 PolarHBondContact O-N 3.06Å; T888-R890 PolarHBondContact OG1-NH1 2.84Å
889S84.9Confident77Confident42 Ų4276.3 Ų76.329%0.29443%0.428SS..EExtended strand (participates in β ladder)trans-66.8171.2165.556.30000112.6E876 F877 G887E876-S889 WeakPolarHBondContact OE1-CB 3.29Å; E876-S889 PolarHBondContact OE1-OG 3.21Å; F877-S889 CarbonylContact O-C 3.51Å; F877-S889 VanDerWaalsContact O-CA 3.31Å; F877-S889 WeakPolarHBondContact O-CA 3.4Å; G887-S889 PolarHBondContact O-N 3.14Å
890R90.8Very high76.5Confident35 Ų3579.3 Ų79.313%0.13244%0.443CS..EExtended strand (participates in β ladder)trans-135.5147.3172.9-73.6-66.5-178.2-82.3-2.1109.5R773 F775 E876 F877 V879 T888 K909R773-R890 PolarHBondContact O-NE 3.24Å; R773-R890 PolarHBondContact O-NH2 3.42Å; F775-R890 HydrophobicContact CE1-CB 4.04Å; F775-R890 HydrophobicContact CE1-CG 4.34Å; F775-R890 HydrophobicContact CZ-CB 3.96Å; F775-R890 HydrophobicContact CZ-CG 4.12Å; E876-R890 CarbonylContact C-O 3.5Å; E876-R890 WeakPolarHBondContact CA-O 3.1Å; F877-R890 HydrophobicContact CD1-CB 3.95Å; F877-R890 WeakPolarHBondContact CD1-O 3.49Å; F877-R890 HydrophobicContact CE1-CB 3.46Å; F877-R890 VanDerWaalsContact CE1-CB 3.46Å; F877-R890 HydrophobicContact CE2-CB 4.12Å; F877-R890 HydrophobicContact CG-CB 4.47Å; F877-R890 HydrophobicContact CZ-CB 3.56Å; F877-R890 HydrophobicContact CZ-CG 4.18Å; F877-R890 PolarHBondContact N-O 3.26Å; F877-R890 PolarHBondContact O-N 3.13Å; V879-R890 HydrophobicContact CG2-CB 4.27Å; V879-R890 HydrophobicContact CG2-CG 3.59Å; T888-R890 PolarHBondContact OG1-NH1 2.84Å; R890-K909 WeakPolarHBondContact CD-O 3.32Å
891V92.3Very high76.5Confident21 Ų2181.5 Ų81.513%0.12746%0.459CS..EExtended strand (participates in β ladder)trans-109.9140.8-180-175.90000109.8R874 L875 V893 K909 T910 L911R874-V891 HydrophobicContact CG-CG1 3.86Å; L875-V891 CarbonylContact O-C 3.55Å; L875-V891 VanDerWaalsContact O-CA 3.27Å; L875-V891 WeakPolarHBondContact O-CA 3.4Å; L875-V891 WeakPolarHBondContact O-CG1 3.45Å; V891-V893 HydrophobicContact CG1-CG2 3.92Å; V891-K909 PolarHBondContact N-O 3.32Å; V891-K909 VanDerWaalsContact N-O 3.09Å; V891-T910 HydrophobicContact CB-CG2 4.33Å; V891-T910 HydrophobicContact CG1-CG2 4.43Å; V891-T910 CarbonylContact O-C 3.43Å; V891-T910 VanDerWaalsContact O-CA 3.28Å; V891-T910 WeakPolarHBondContact O-CA 3.44Å; V891-L911 PolarHBondContact O-N 3.39Å
892V94.4Very high77.2Confident0 Ų076.3 Ų76.30%044%0.443CS..EExtended strand (participates in β ladder)trans-116.4126.3167.6-168.70000107.8L842 R874 L875 F877 F894 L911 I913L842-V892 HydrophobicContact CD1-CG2 4.27Å; L842-V892 HydrophobicContact CD2-CG2 3.74Å; R874-V892 WeakPolarHBondContact CA-O 3.45Å; L875-V892 PolarHBondContact N-O 3.01Å; L875-V892 PolarHBondContact O-N 3.46Å; F877-V892 HydrophobicContact CD1-CG2 4.06Å; F877-V892 HydrophobicContact CE1-CG2 3.74Å; V892-F894 HydrophobicContact CB-CE2 3.99Å; V892-F894 HydrophobicContact CG1-CD2 4.11Å; V892-F894 HydrophobicContact CG1-CE2 3.45Å; V892-F894 VanDerWaalsContact CG1-CE2 3.45Å; V892-F894 HydrophobicContact CG1-CZ 3.7Å; V892-L911 CarbonylContact C-O 3.56Å; V892-L911 WeakPolarHBondContact CA-O 3.38Å; V892-L911 HydrophobicContact CG1-CB 4.45Å; V892-L911 HydrophobicContact CG1-CD2 4.42Å; V892-L911 HydrophobicContact CG1-CG 4.46Å; V892-I913 HydrophobicContact CG1-CD1 3.48Å; V892-I913 VanDerWaalsContact CG1-CD1 3.48Å; V892-I913 HydrophobicContact CG1-CG1 3.8Å
893V94.4Very high78.5Confident41 Ų4176.4 Ų76.425%0.24844%0.443CS..EExtended strand (participates in β ladder)trans-115.9120179.3-179.50000108.8D873 R874 V891 T910 L911 T912 I913D873-V893 CarbonylContact O-C 3.58Å; D873-V893 WeakPolarHBondContact O-CA 3.33Å; R874-V893 HydrophobicContact CG-CG2 4.28Å; V891-V893 HydrophobicContact CG1-CG2 3.92Å; V893-T910 HydrophobicContact CB-CG2 4.48Å; V893-T910 HydrophobicContact CG2-CG2 3.78Å; V893-L911 PolarHBondContact N-O 2.52Å; V893-T912 CarbonylContact O-C 3.53Å; V893-T912 WeakPolarHBondContact O-CA 3.08Å; V893-I913 PolarHBondContact O-N 2.77Å
894F94.8Very high79.9Confident7 Ų777.1 Ų77.13%0.03143%0.433CS..EExtended strand (participates in β ladder)trans-96.8132.1177.3-63.1-100.4000109.1S825 R827 D829 F831 D873 L875 V892 I913S825-F894 VanDerWaalsContact CB-CD1 3.44Å; R827-F894 HydrophobicContact CG-CB 4.23Å; D829-F894 HydrophobicContact CB-CD1 4.41Å; D829-F894 HydrophobicContact CB-CE1 4.19Å; D829-F894 VanDerWaalsContact CG-CE1 3.49Å; F831-F894 HydrophobicContact CB-CE1 3.95Å; F831-F894 HydrophobicContact CB-CZ 3.8Å; F831-F894 HydrophobicContact CD2-CE1 4.39Å; F831-F894 HydrophobicContact CG-CE1 4.24Å; F831-F894 HydrophobicContact CG-CZ 4.35Å; D873-F894 HydrophobicContact CB-CB 4.32Å; D873-F894 PolarHBondContact O-N 3.47Å; L875-F894 HydrophobicContact CD1-CE2 3.79Å; L875-F894 HydrophobicContact CD1-CZ 4.43Å; L875-F894 HydrophobicContact CG-CE2 4.11Å; V892-F894 HydrophobicContact CB-CE2 3.99Å; V892-F894 HydrophobicContact CG1-CD2 4.11Å; V892-F894 HydrophobicContact CG1-CE2 3.45Å; V892-F894 VanDerWaalsContact CG1-CE2 3.45Å; V892-F894 HydrophobicContact CG1-CZ 3.7Å; F894-I913 WeakPolarHBondContact CA-O 3.22Å; F894-I913 HydrophobicContact CD1-CB 3.86Å; F894-I913 HydrophobicContact CD1-CD1 4.4Å; F894-I913 HydrophobicContact CD1-CG2 3.96Å; F894-I913 HydrophobicContact CE1-CB 4.09Å; F894-I913 HydrophobicContact CE1-CD1 3.75Å; F894-I913 HydrophobicContact CE1-CG1 4.36Å; F894-I913 HydrophobicContact CE1-CG2 4.07Å; F894-I913 HydrophobicContact CG-CB 4.45Å; F894-I913 HydrophobicContact CZ-CD1 3.94Å
895Q92.4Very high82.2Confident94 Ų9471.4 Ų71.444%0.43942%0.415SS..EExtended strand (participates in β ladder)trans-139.2165.3179.865178.122.800110T912 I913 S914 V915Q895-T912 HydrophobicContact CG-CG2 3.88Å; Q895-I913 PolarHBondContact N-O 2.85Å; Q895-S914 VanDerWaalsContact CG-OG 3.29Å; Q895-S914 WeakPolarHBondContact CG-OG 3.15Å; Q895-S914 PolarHBondContact NE2-OG 3.16Å; Q895-S914 WeakPolarHBondContact O-CA 3.48Å; Q895-V915 PolarHBondContact O-N 2.68Å
896R89.3Confident84.1Confident162 Ų16273.3 Ų73.361%0.61142%0.419SS*.EExtended strand (participates in β ladder)trans-62.8148.8173.3-75.4180160.9159.9-5.7111S914 V915 D917R896-S914 PolarHBondContact O-OG 2.79Å; R896-V915 CarbonylContact C-O 3.53Å; R896-V915 WeakPolarHBondContact CA-O 3.36Å; R896-D917 IonicContact CZ-OD1 3.38Å; R896-D917 VanDerWaalsContact CZ-OD1 3.31Å; R896-D917 IonicContact CZ-OD2 2.77Å; R896-D917 VanDerWaalsContact NE-CG 3.33Å; R896-D917 IonicContact NE-OD1 3.24Å; R896-D917 PolarHBondContact NE-OD1 2.78Å; R896-D917 IonicContact NE-OD2 2.64Å; R896-D917 PolarHBondContact NE-OD2 1.94Å; R896-D917 IonicContact NH2-OD1 3.38Å; R896-D917 PolarHBondContact NH2-OD1 3.13Å; R896-D917 IonicContact NH2-OD2 3.74Å; R896-D917 PolarHBondContact NH2-OD2 3.39Å
897G87.5Confident86Confident28 Ų2872.3 Ų72.329%0.28941%0.41SS..  trans-150.7-166.4178.300000110.7V915 G916G897-V915 PolarHBondContact N-O 2.96Å; G897-G916 WeakPolarHBondContact O-CA 3.45Å
898Q80.2Confident87.4Confident169 Ų16973.2 Ų73.279%0.7942%0.419SS*.SBendtrans-116.2133.8177.2-66.3-179-7.500110.3Q903Q898-Q903 PolarHBondContact O-NE2 3.35Å
899G80.3Confident88.1Confident49 Ų4976.6 Ų76.651%0.50543%0.428SS..SBendtrans88.4164.7-179.800000115.2L901 G916G899-L901 VanDerWaalsContact C-N 3.29Å; G899-L901 PolarHBondContact O-N 3.02Å; G899-G916 PolarHBondContact O-N 2.95Å
900D76.2Confident88.5Confident88 Ų8876.8 Ų76.847%0.47143%0.428SS..SBendtrans-81.2-2.6-177.9-73.3-26.5000113.6Q828Q828-D900 PolarHBondContact NE2-OD1 3.36Å; Q828-D900 VanDerWaalsContact NE2-OD1 3.08Å
901L83.4Confident88.6Confident147 Ų14775.3 Ų75.377%0.7742%0.422SS*.SBendtrans-103.8137.6177.6-66.5177.7000111.1G899 Q903G899-L901 VanDerWaalsContact C-N 3.29Å; G899-L901 PolarHBondContact O-N 3.02Å; L901-Q903 PolarHBondContact O-N 3.26Å
902A87.8Confident88.7Confident35 Ų3576 Ų7629%0.28943%0.426SS..PPolyproline II helixtrans-76122.8-178.800000111.9F831 I913 S914F831-A902 HydrophobicContact CE2-CB 4Å; A902-I913 HydrophobicContact CB-CG2 3.9Å; A902-S914 WeakPolarHBondContact CA-O 3.46Å
903Q90.9Very high88.6Confident117 Ų11776 Ų7655%0.54743%0.426SS..EExtended strand (participates in β ladder)trans-92.9130.1174.7-57.5-17713.900110Q898 L901 I913 S914Q898-Q903 PolarHBondContact O-NE2 3.35Å; L901-Q903 PolarHBondContact O-N 3.26Å; Q903-I913 WeakPolarHBondContact O-CA 3.02Å; Q903-S914 PolarHBondContact N-O 3.04Å; Q903-S914 PolarHBondContact O-N 3.22Å
904L92.4Very high88.5Confident74 Ų7474.9 Ų74.939%0.38742%0.421SS..EExtended strand (participates in β ladder)trans-110.2120.1-171.7-59.6-178.7000111.7F771 F831 L911 I913F771-L904 HydrophobicContact CE1-CD1 3.76Å; F771-L904 HydrophobicContact CZ-CD1 4.05Å; F831-L904 HydrophobicContact CE1-CD2 4.38Å; F831-L904 HydrophobicContact CZ-CD2 3.89Å; L904-L911 HydrophobicContact CB-CD1 4.28Å; L904-I913 HydrophobicContact CD2-CB 4.29Å; L904-I913 HydrophobicContact CD2-CD1 3.73Å; L904-I913 HydrophobicContact CD2-CG1 3.64Å; L904-I913 HydrophobicContact CD2-CG2 4.03Å
905K92.3Very high88.4Confident162 Ų16274.7 Ų74.770%0.70442%0.42SS*.EExtended strand (participates in β ladder)trans-121.996.8175.7-170.8175-176.9177.30110.5T912K905-T912 PolarHBondContact N-O 2.74Å; K905-T912 PolarHBondContact O-N 3.01Å
906P89.2Confident88.2Confident83 Ų8370.6 Ų70.654%0.53940%0.403SS..EExtended strand (participates in β ladder)trans-74.3137.3176.230.1-33.6000111.4F775 L911F775-P906 HydrophobicContact CB-CB 4.3Å; F775-P906 HydrophobicContact CD2-CB 4.05Å; P906-L911 HydrophobicContact CB-CD1 4.26Å
907G84.3Confident88.1Confident46 Ų4666.5 Ų66.547%0.47439%0.394SS..EExtended strand (participates in β ladder)trans-143.891.9179.900000111.6K909 T910G907-K909 PolarHBondContact O-N 2.87Å; G907-K909 VanDerWaalsContact O-N 3.08Å; G907-T910 CarbonylContact C-O 3.43Å; G907-T910 PolarHBondContact N-O 3.22Å; G907-T910 PolarHBondContact O-N 3.06Å
908G84.8Confident88Confident73 Ų7366.2 Ų66.275%0.75339%0.391SS*.THydrogen-bonded Turntrans62.6-107.5176.800000113.5
909K88.5Confident88.3Confident136 Ų13660.7 Ų60.759%0.59137%0.366SS*.THydrogen-bonded Turntrans-90.1-3.5176.3-66.1-176.2-177.3174.40113.7F775 R890 V891 G907F775-K909 WeakPolarHBondContact CZ-O 3.39Å; R890-K909 WeakPolarHBondContact CD-O 3.32Å; V891-K909 PolarHBondContact N-O 3.32Å; V891-K909 VanDerWaalsContact N-O 3.09Å; G907-K909 PolarHBondContact O-N 2.87Å; G907-K909 VanDerWaalsContact O-N 3.08Å
910T91.3Very high88.6Confident46 Ų4662.1 Ų62.128%0.28237%0.367SS..EExtended strand (participates in β ladder)trans-119.1142.8-173.1-53.60000111.3F775 V891 V893 G907F775-T910 WeakPolarHBondContact CE2-O 3.23Å; V891-T910 HydrophobicContact CB-CG2 4.33Å; V891-T910 HydrophobicContact CG1-CG2 4.43Å; V891-T910 CarbonylContact O-C 3.43Å; V891-T910 VanDerWaalsContact O-CA 3.28Å; V891-T910 WeakPolarHBondContact O-CA 3.44Å; V893-T910 HydrophobicContact CB-CG2 4.48Å; V893-T910 HydrophobicContact CG2-CG2 3.78Å; G907-T910 CarbonylContact C-O 3.43Å; G907-T910 PolarHBondContact N-O 3.22Å; G907-T910 PolarHBondContact O-N 3.06Å
911L93.4Very high89Confident3 Ų361.1 Ų61.12%0.01636%0.358CS..EExtended strand (participates in β ladder)trans-112.9117.2167.4174.162.4000109F775 L842 V891 V892 V893 L904 P906 I913F775-L911 HydrophobicContact CB-CD1 4.26Å; F775-L911 HydrophobicContact CB-CD2 4.24Å; F775-L911 HydrophobicContact CD1-CB 3.59Å; F775-L911 HydrophobicContact CD1-CD2 3.83Å; F775-L911 HydrophobicContact CD1-CG 4.25Å; F775-L911 HydrophobicContact CD2-CB 4Å; F775-L911 HydrophobicContact CE1-CB 3.56Å; F775-L911 HydrophobicContact CE1-CD2 4.44Å; F775-L911 HydrophobicContact CE2-CB 3.98Å; F775-L911 HydrophobicContact CG-CB 3.78Å; F775-L911 HydrophobicContact CG-CD1 4.38Å; F775-L911 HydrophobicContact CG-CD2 4.19Å; F775-L911 HydrophobicContact CG-CG 4.34Å; F775-L911 HydrophobicContact CZ-CB 3.74Å; L842-L911 HydrophobicContact CD2-CD2 4.39Å; V891-L911 PolarHBondContact O-N 3.39Å; V892-L911 CarbonylContact C-O 3.56Å; V892-L911 WeakPolarHBondContact CA-O 3.38Å; V892-L911 HydrophobicContact CG1-CB 4.45Å; V892-L911 HydrophobicContact CG1-CD2 4.42Å; V892-L911 HydrophobicContact CG1-CG 4.46Å; V893-L911 PolarHBondContact N-O 2.52Å; L904-L911 HydrophobicContact CB-CD1 4.28Å; P906-L911 HydrophobicContact CB-CD1 4.26Å; L911-I913 HydrophobicContact CD2-CD1 3.98Å; L911-I913 HydrophobicContact CD2-CG1 4.2Å; L911-I913 HydrophobicContact CG-CD1 4.29Å; L911-I913 HydrophobicContact CG-CG1 3.94Å
912T93.9Very high89.1Confident35 Ų3557.2 Ų57.222%0.21534%0.343CS..EExtended strand (participates in β ladder)trans-89.7130.8171.9-56.20000109.7V893 Q895 K905V893-T912 CarbonylContact O-C 3.53Å; V893-T912 WeakPolarHBondContact O-CA 3.08Å; Q895-T912 HydrophobicContact CG-CG2 3.88Å; K905-T912 PolarHBondContact N-O 2.74Å; K905-T912 PolarHBondContact O-N 3.01Å
913I94.1Very high88.9Confident0 Ų056.7 Ų56.70%034%0.337CS..EExtended strand (participates in β ladder)trans-120115.6179.7-54.3-166.3000108.7F831 V892 V893 F894 Q895 A902 Q903 L904 L911F831-I913 HydrophobicContact CD1-CD1 3.79Å; F831-I913 HydrophobicContact CD2-CD1 4.27Å; F831-I913 HydrophobicContact CE1-CD1 3.74Å; F831-I913 HydrophobicContact CE2-CD1 4.27Å; F831-I913 HydrophobicContact CG-CD1 4.07Å; F831-I913 HydrophobicContact CZ-CD1 4.02Å; V892-I913 HydrophobicContact CG1-CD1 3.48Å; V892-I913 VanDerWaalsContact CG1-CD1 3.48Å; V892-I913 HydrophobicContact CG1-CG1 3.8Å; V893-I913 PolarHBondContact O-N 2.77Å; F894-I913 WeakPolarHBondContact CA-O 3.22Å; F894-I913 HydrophobicContact CD1-CB 3.86Å; F894-I913 HydrophobicContact CD1-CD1 4.4Å; F894-I913 HydrophobicContact CD1-CG2 3.96Å; F894-I913 HydrophobicContact CE1-CB 4.09Å; F894-I913 HydrophobicContact CE1-CD1 3.75Å; F894-I913 HydrophobicContact CE1-CG1 4.36Å; F894-I913 HydrophobicContact CE1-CG2 4.07Å; F894-I913 HydrophobicContact CG-CB 4.45Å; F894-I913 HydrophobicContact CZ-CD1 3.94Å; Q895-I913 PolarHBondContact N-O 2.85Å; A902-I913 HydrophobicContact CB-CG2 3.9Å; Q903-I913 WeakPolarHBondContact O-CA 3.02Å; L904-I913 HydrophobicContact CD2-CB 4.29Å; L904-I913 HydrophobicContact CD2-CD1 3.73Å; L904-I913 HydrophobicContact CD2-CG1 3.64Å; L904-I913 HydrophobicContact CD2-CG2 4.03Å; L911-I913 HydrophobicContact CD2-CD1 3.98Å; L911-I913 HydrophobicContact CD2-CG1 4.2Å; L911-I913 HydrophobicContact CG-CD1 4.29Å; L911-I913 HydrophobicContact CG-CG1 3.94Å
914S92.3Very high88.4Confident19 Ų1955 Ų5513%0.13333%0.328CS..EExtended strand (participates in β ladder)trans-101127.3175.8-940000110.6Q895 R896 A902 Q903Q895-S914 VanDerWaalsContact CG-OG 3.29Å; Q895-S914 WeakPolarHBondContact CG-OG 3.15Å; Q895-S914 PolarHBondContact NE2-OG 3.16Å; Q895-S914 WeakPolarHBondContact O-CA 3.48Å; R896-S914 PolarHBondContact O-OG 2.79Å; A902-S914 WeakPolarHBondContact CA-O 3.46Å; Q903-S914 PolarHBondContact N-O 3.04Å; Q903-S914 PolarHBondContact O-N 3.22Å
915V91.4Very high87.5Confident2 Ų252.4 Ų52.41%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-144.2146.9174.868.50000110.5R827 Q828 D829 Q895 R896 G897R827-V915 HydrophobicContact CB-CG1 3.73Å; R827-V915 HydrophobicContact CG-CG1 4.23Å; Q828-V915 HydrophobicContact CG-CG2 4.19Å; D829-V915 HydrophobicContact CB-CG1 4.41Å; Q895-V915 PolarHBondContact O-N 2.68Å; R896-V915 CarbonylContact C-O 3.53Å; R896-V915 WeakPolarHBondContact CA-O 3.36Å; G897-V915 PolarHBondContact N-O 2.96Å
916G88.3Confident86.5Confident9 Ų948.7 Ų48.79%0.09331%0.306CS..  trans-68.2158.6173.400000112.9Q828 G897 G899Q828-G916 WeakPolarHBondContact CG-O 3.46Å; Q828-G916 PolarHBondContact NE2-O 2.52Å; G897-G916 WeakPolarHBondContact O-CA 3.45Å; G899-G916 PolarHBondContact O-N 2.95Å
917D87.4Confident85Confident76 Ų7653.5 Ų53.541%0.40631%0.314SS..  trans-64.5139178.9-65.3-58.4000112R827 Q828 R896R827-D917 IonicContact NH1-OD1 3.06Å; R827-D917 PolarHBondContact NH1-OD1 3.38Å; Q828-D917 PolarHBondContact NE2-O 2.92Å; R896-D917 IonicContact CZ-OD1 3.38Å; R896-D917 VanDerWaalsContact CZ-OD1 3.31Å; R896-D917 IonicContact CZ-OD2 2.77Å; R896-D917 VanDerWaalsContact NE-CG 3.33Å; R896-D917 IonicContact NE-OD1 3.24Å; R896-D917 PolarHBondContact NE-OD1 2.78Å; R896-D917 IonicContact NE-OD2 2.64Å; R896-D917 PolarHBondContact NE-OD2 1.94Å; R896-D917 IonicContact NH2-OD1 3.38Å; R896-D917 PolarHBondContact NH2-OD1 3.13Å; R896-D917 IonicContact NH2-OD2 3.74Å; R896-D917 PolarHBondContact NH2-OD2 3.39Å
918G85.6Confident83.4Confident22 Ų2260.9 Ų60.923%0.22733%0.333CS..  trans-92.2-162.2178.600000115.6E729E729-G918 PolarHBondContact OE2-N 2.97Å
919L85.7Confident81.1Confident53 Ų5361.6 Ų61.628%0.27733%0.327SS..BIsolated β-bridgetrans-66.7148.8164.4-60.3175.5000109.9E729 R730 K732 I735E729-L919 WeakPolarHBondContact CA-O 3.31Å; R730-L919 HydrophobicContact CB-CB 4.27Å; R730-L919 PolarHBondContact N-O 3.36Å; R730-L919 WeakPolarHBondContact O-CB 3.47Å; R730-L919 WeakPolarHBondContact O-CG 3.35Å; R730-L919 PolarHBondContact O-N 2.79Å; K732-L919 HydrophobicContact CG-CD1 4.28Å; K732-L919 HydrophobicContact CG-CD2 4.02Å; K732-L919 HydrophobicContact CG-CG 3.95Å; I735-L919 HydrophobicContact CG2-CD1 4.4Å
920P86.3Confident78.9Confident79 Ų7959 Ų5951%0.51334%0.338SS..  trans-49.7146.8-179.7-29.535.6000113.6S922 S923P920-S922 PolarHBondContact O-N 3.23Å; P920-S922 VanDerWaalsContact O-N 3.09Å; P920-S923 WeakPolarHBondContact O-CB 3.46Å; P920-S923 PolarHBondContact O-N 2.78Å; P920-S923 PolarHBondContact O-OG 3.08Å
921K86.4Confident76.2Confident66 Ų6662.8 Ų62.829%0.28736%0.356SS..THydrogen-bonded Turntrans-59.1-24.7-179.4-52-175.2171.3-176.40113.2N726 E729 S826 S923N726-K921 VanDerWaalsContact C-CB 3.48Å; N726-K921 WeakPolarHBondContact CA-O 3.48Å; N726-K921 PolarHBondContact N-O 2.88Å; N726-K921 WeakPolarHBondContact O-CB 3.48Å; N726-K921 WeakPolarHBondContact O-CD 3.11Å; E729-K921 HydrophobicContact CG-CG 3.97Å; S826-K921 VanDerWaalsContact O-CE 3.32Å; S826-K921 WeakPolarHBondContact O-CE 3.27Å; S826-K921 PolarHBondContact OG-NZ 2.97Å; K921-S923 VanDerWaalsContact C-N 3.29Å; K921-S923 PolarHBondContact O-N 2.85Å
922S84.4Confident73.3Confident65 Ų6568.8 Ų68.846%0.45539%0.388SS..THydrogen-bonded Turntrans-81.97.5174.253.60000114.7Y725 N726 P920 K924Y725-S922 VanDerWaalsContact CE2-O 3.25Å; Y725-S922 WeakPolarHBondContact CE2-O 3.29Å; N726-S922 WeakPolarHBondContact OD1-CA 3.46Å; N726-S922 WeakPolarHBondContact OD1-CB 3.49Å; P920-S922 PolarHBondContact O-N 3.23Å; P920-S922 VanDerWaalsContact O-N 3.09Å; S922-K924 PolarHBondContact O-N 3.47Å
923S84Confident70.4Confident24 Ų2474.3 Ų74.317%0.16842%0.422CS..PPolyproline II helixtrans-74.4119.9178.9-55.10000111.3I735 P920 K921I735-S923 VanDerWaalsContact CD1-CB 3.47Å; I735-S923 WeakPolarHBondContact CD1-O 3.34Å; P920-S923 WeakPolarHBondContact O-CB 3.46Å; P920-S923 PolarHBondContact O-N 2.78Å; P920-S923 PolarHBondContact O-OG 3.08Å; K921-S923 VanDerWaalsContact C-N 3.29Å; K921-S923 PolarHBondContact O-N 2.85Å
924K79.4Confident67.6Low83 Ų8385.3 Ų85.336%0.36146%0.463SS..PPolyproline II helixtrans-96.8157.1171.4-67.7-142.7176.8-154.40112.4D722 Y725 I735 S922 T926D722-K924 VanDerWaalsContact CG-NZ 3.3Å; D722-K924 VanDerWaalsContact OD1-CE 3.32Å; D722-K924 WeakPolarHBondContact OD1-CE 3.4Å; D722-K924 IonicContact OD1-NZ 3.6Å; D722-K924 PolarHBondContact OD1-NZ 2.69Å; D722-K924 IonicContact OD2-NZ 2.78Å; D722-K924 PolarHBondContact OD2-NZ 3.39Å; D722-K924 VanDerWaalsContact OD2-NZ 3.16Å; Y725-K924 HydrophobicContact CD2-CD 4.44Å; Y725-K924 HydrophobicContact CD2-CG 3.86Å; Y725-K924 HydrophobicContact CE2-CD 4.17Å; Y725-K924 HydrophobicContact CE2-CG 3.53Å; I735-K924 WeakPolarHBondContact CD1-O 2.84Å; S922-K924 PolarHBondContact O-N 3.47Å; K924-T926 PolarHBondContact O-N 3.24Å
925P74.9Confident64.7Low18 Ų1888.2 Ų88.212%0.11750%0.496CS..PPolyproline II helixtrans-58.2132173-21.734.2000110.5I735 R927I735-P925 WeakPolarHBondContact O-CB 3.46Å; P925-R927 PolarHBondContact O-N 2.75Å
926T70.7Confident62Low84 Ų8492.6 Ų92.652%0.51554%0.542SS..PPolyproline II helixtrans-69.8128176.151.30000109.1R717 N736 K924 K928R717-T926 PolarHBondContact NH2-O 3.07Å; N736-T926 PolarHBondContact ND2-OG1 3.42Å; N736-T926 PolarHBondContact OD1-N 3.21Å; N736-T926 VanDerWaalsContact OD1-N 3.16Å; N736-T926 PolarHBondContact OD1-O 3.22Å; N736-T926 PolarHBondContact OD1-OG1 3.17Å; K924-T926 PolarHBondContact O-N 3.24Å; T926-K928 PolarHBondContact O-N 2.66Å
927R58.3Low59.2Low184 Ų18495.8 Ų95.869%0.69457%0.574SS**PPolyproline II helixtrans-65.9119.4162.2-69-176177.7177.60.3106.1E718 P925 S929E718-R927 IonicContact OE1-NH2 3.21Å; E718-R927 PolarHBondContact OE1-NH2 2.93Å; E718-R927 IonicContact OE2-CZ 2.66Å; E718-R927 IonicContact OE2-NE 3.08Å; E718-R927 IonicContact OE2-NH2 3.17Å; E718-R927 PolarHBondContact OE2-NH2 3.09Å; P925-R927 PolarHBondContact O-N 2.75Å; R927-S929 PolarHBondContact O-N 3.23Å
928K49.8Very low56.6Low201 Ų201103.3 Ų103.387%0.87460%0.597SS**  trans-70.585.1167.4-83.4-167.8172.3-173.60107.4T926 G930T926-K928 PolarHBondContact O-N 2.66Å; K928-G930 PolarHBondContact O-N 3.4Å; K928-G930 VanDerWaalsContact O-N 3.13Å
929S36.3Very low53.9Low89 Ų89110.1 Ų110.162%0.62263%0.628SS**  trans-55118.2169.6-168.70000108R927 L931R927-S929 PolarHBondContact O-N 3.23Å; S929-L931 PolarHBondContact O-N 2.75Å; S929-L931 VanDerWaalsContact O-N 3.1Å
930G43.9Very low51.2Low81 Ų81115.4 Ų115.484%0.83565%0.651SS**  trans-80.686177.200000109.3K928K928-G930 PolarHBondContact O-N 3.4Å; K928-G930 VanDerWaalsContact O-N 3.13Å
931L34.3Very low48.5Very low126 Ų126119.1 Ų119.166%0.6667%0.665SS**  trans-120.6151179-80174.3000112.6S929S929-L931 PolarHBondContact O-N 2.75Å; S929-L931 VanDerWaalsContact O-N 3.1Å
932D31.8Very low45.7Very low129 Ų129120.8 Ų120.869%0.6969%0.685SS**  trans66.561.7156.6-50.4-27.1000118.6R934D932-R934 VanDerWaalsContact C-N 3.27Å
933V33.7Very low43Very low151 Ų151125 Ų12592%0.91570%0.702SS**SBendtrans-94.657.6139.3-169.40000109.4
934R35.5Very low40.3Very low230 Ų230134.6 Ų134.687%0.86874%0.735SS**  trans-149.7137.1165.6-77.6-164.6172.8-172.8-2.3109D932D932-R934 VanDerWaalsContact C-N 3.27Å
935G30.3Very low37.8Very low81 Ų81137.7 Ų137.784%0.83576%0.761SS**  trans113.573.9175.700000114.1G937G935-G937 PolarHBondContact O-N 3.21Å
936G35.5Very low35.5Very low94 Ų94142 Ų14297%0.96979%0.787SS**  trans-75.2111.4162.700000109.8
937G29.4Very low33.4Very low75 Ų75145 Ų14577%0.77381%0.805SS**  trans-144.2110179.700000111.8G935G935-G937 PolarHBondContact O-N 3.21Å
938R32.4Very low31.9Very low234 Ų234145.4 Ų145.488%0.88381%0.812SS**  trans-79.3136167.8-79.9179.5169.9165.7-4.7109.7
939N29.4Very low30.7Very low165 Ų165143.8 Ų143.888%0.88281%0.812SS**  trans-154.4153.4135.7-104.5-19.7000110.6
940H28.9Very low30.3Very low164 Ų164144.7 Ų144.776%0.75982%0.818SS**  trans-92.4162.2-176.9-71.3-114000111.7
941I29.6Very low29.4Very low157 Ų157145.8 Ų145.881%0.80582%0.819SS**  -180158.3109.9-92.5163.7000112.7
942S27.6Very low28.9Very low102 Ų102144.2 Ų144.271%0.71383%0.825SS**  trans59.993.8163.262.80000122.1
943N27.2Very low28.7Very low152 Ų152144 Ų14481%0.81383%0.828SS**  38.8121.5119.6-73.4-15000123.3
944R26.3Very low28.4Very low226 Ų226142.9 Ų142.985%0.85382%0.821SS**  35.7128.6124.7-71.3-179.5169.7180-2.6120.1
945V28.9Very low28Very low148 Ų148140.9 Ų140.990%0.89782%0.822SS**  -147.3163.193.1144.10000109.1
946V26.3Very low27.9Very low109 Ų109141.4 Ų141.466%0.66182%0.818SS**  trans-105.4142.2-170.41720000111.9
947T26.3Very low27.5Very low147 Ų147145.2 Ų145.290%0.90282%0.816SS**  trans-142.2130.5144.92.30000110.1
948K25.5Very low27.4Very low193 Ų193145.7 Ų145.784%0.83982%0.821SS**  trans-89.1149.8173.3-64.1175.1178.6175.60109.3
949L26Very low27.1Very low167 Ų167138.3 Ų138.387%0.87482%0.818SS**  trans-148143146.9-109.4166.9000111.3
950S26.6Very low26.9Very low107 Ų107135.1 Ų135.175%0.74882%0.815SS**  trans-22.1141.9178.849.60000120
951A25.2Very low26.7Very low104 Ų104134.9 Ų134.986%0.8682%0.819SS**  trans-84156165.300000112.8
952A25.3Very low26.6Very low94 Ų94137.3 Ų137.378%0.77782%0.824SS**  trans-152.6126.6161.800000112.4
953T27.5Very low26.6Very low124 Ų124138.1 Ų138.176%0.76183%0.83SS**  trans50.5109.3151.5-39.60000120.5
954T26.7Very low26.6Very low127 Ų127142 Ų14278%0.77983%0.833SS**  trans-84.4155.2158.440.50000112.1
955H27.1Very low26.5Very low188 Ų188134.9 Ų134.987%0.8783%0.83SS**  trans-132.9138.6149.6-81.6-65.5000109.4
956A28Very low26.5Very low92 Ų92135.8 Ų135.876%0.7682%0.824SS**  trans-140.5141.6-176.200000110.9
957N27.6Very low27.1Very low174 Ų174136.4 Ų136.493%0.9383%0.83SS**  trans-113.5144.7153.6-70.7-18.6000106.3
958G27.1Very low27.2Very low85 Ų85136.2 Ų136.288%0.87682%0.824SS**  cis154.289.62.700000108.5
959G25.6Very low27.3Very low80 Ų80134 Ų13483%0.82582%0.816SS**  trans-171.1126-17600000109.9
960A26.1Very low27.3Very low97 Ų97133.9 Ų133.980%0.80281%0.811SS**  trans-79.1150-166.700000113.2
961N24.8Very low27.3Very low160 Ų160132.1 Ų132.186%0.85680%0.803SS**  trans-141.6122.9167.6-128.1-1.9000107.5
962F27.5Very low27.3Very low207 Ų207134.4 Ų134.491%0.90880%0.801SS**  trans-86.1153.1172.6-89.4-90.4000110.8
963S26.9Very low27.4Very low119 Ų119135.8 Ų135.883%0.83280%0.8SS**  trans-92.9149.4-162.4-730000115.6
964R27.2Very low27.2Very low233 Ų233134.7 Ų134.788%0.87979%0.793SS**  trans-24.4149.3164.8-65.9169.4164173.9-7.2117.8
965G25Very low27.3Very low77 Ų77138.7 Ų138.779%0.79480%0.795SS**  trans-122137.2139.500000110.9
966H28.6Very low27.3Very low168 Ų168134.4 Ų134.478%0.77879%0.787SS**  trans-141.7139.4167.6-105.9-53.4000106.9
967P39.3Very low27.3Very low121 Ų121135.5 Ų135.579%0.78679%0.789SS**  -140-178.6108.919.22.8000111.9
968N27Very low27.7Very low143 Ų143132.7 Ų132.777%0.76578%0.78SS**  cis-172.4-177.9-36.3-17423.3000107.5
969Q27.6Very low27.8Very low146 Ų146137.7 Ų137.768%0.68278%0.78SS**  trans101116.6156.3-62.3-168.1-14.900120.6
970H27.2Very low27.8Very low166 Ų166143 Ų14377%0.76978%0.781SS**  trans54.5151.5130.2-55-53.1000122.8
971A26.4Very low28Very low70 Ų70147 Ų14758%0.57978%0.783SS**  cis-171.2153.8-24.500000110.5
972D25.5Very low28.4Very low151 Ų151144.9 Ų144.981%0.80778%0.778SS**  trans55.5169.8157.5-47.7-33000118.5
973T27Very low28.6Very low124 Ų124146.3 Ų146.376%0.76178%0.777SS**  cis-144.5154.57.7-42.60000112.6
974T23.8Very low29Very low101 Ų101146.5 Ų146.562%0.6278%0.775SS**  trans-36.1141.5162-33.90000114.2
975Y28.2Very low29.6Very low211 Ų211140.7 Ų140.783%0.82777%0.768SS**  175.4161.385.4-89.7-94.2000107.6
976S27.2Very low29.8Very low98 Ų98144.8 Ų144.869%0.68577%0.771SS**  cis-171.3-168.4-25.1-97.30000109.7
977S27.5Very low30Very low115 Ų115140.9 Ų140.980%0.80477%0.768SS**  trans-132.5168.7167.7-53.40000110.9
978P36.1Very low29.8Very low115 Ų115140.7 Ų140.775%0.74777%0.767SS**  -149.7160.6117.638.6-22.9000118.7
979H28.3Very low29.9Very low190 Ų190140.5 Ų140.588%0.8877%0.765SS**  trans75.9166.2151.8-72.3-51.9000123.5
980K26.9Very low30.2Very low192 Ų192139.7 Ų139.784%0.83577%0.773SS**  trans-158.5173.2-158.2-81.9-174.2175.1-179.90110.1
981Q30.1Very low30.2Very low180 Ų180140.2 Ų140.284%0.84177%0.773SS**  trans97.6157.5160.4-57-168.413.700116
982P33.5Very low30.2Very low116 Ų116144.9 Ų144.975%0.75379%0.787SS**  cis-130.9-167.4-43.136.6-20.3000113.1
983R31.3Very low30.3Very low237 Ų237144.5 Ų144.589%0.89479%0.785SS**  trans-94.1159179.4-67.6179.2174.1175.7-4.3113.9
984P35Very low30.4Very low123 Ų123144.2 Ų144.280%0.79979%0.788SS**  trans-115.1175.4137.6-0.422.3000113.9
985P41.2Very low30.7Very low110 Ų110148.8 Ų148.871%0.71480%0.803SS**  trans-122.6170.9-169.942.4-30.8000117.1
986N28.7Very low30.7Very low163 Ų163150 Ų15087%0.87281%0.805SS**  trans42.9141.7150.3-66.75000121.2
987A31.5Very low30.7Very low87 Ų87153.6 Ų153.672%0.71982%0.817SS**  cis-164.2-144.1-4.100000107.3
988P36.8Very low30.7Very low116 Ų116159.3 Ų159.375%0.75382%0.821SS**  -120.3167.5-52.339.1-25.9000115.2
989L28.7Very low30.3Very low139 Ų139166 Ų16673%0.72883%0.832SS**  trans22.8141.3147.6-76.7168.1000123K991L989-K991 HydrophobicContact CD2-CG 4.28Å
990P33.8Very low30.3Very low130 Ų130160.4 Ų160.484%0.84483%0.825SS**  -133.4-174.386.238.8-28.1000115.8
991K26.4Very low30.5Very low176 Ų176157.7 Ų157.777%0.76583%0.827SS**  trans-117166.6-174.3-54173.6-177.6172.40112.3L989L989-K991 HydrophobicContact CD2-CG 4.28Å
992L27.9Very low30.3Very low169 Ų169153.8 Ų153.889%0.88583%0.826SS**  trans-145.5173.9139-140.181000110.9
993D26.2Very low30.3Very low143 Ų143154.5 Ų154.577%0.76583%0.83SS**  trans-94.7163.6-153-66.4-72.2000117.8
994S29.4Very low30.1Very low118 Ų118150.8 Ų150.883%0.82583%0.828SS**  trans-136.4126.6152.949.40000109.6
995Q29.2Very low29.7Very low197 Ų197154.1 Ų154.192%0.92183%0.833SS**  trans-77.1144.7-174-69.3-176.4-9.800112.2
996R28.9Very low29.1Very low235 Ų235157.4 Ų157.489%0.88784%0.839SS**  trans-14593.3-179.7-166.8178.4-171.8-174.94111.4
997N27.2Very low29Very low174 Ų174155.9 Ų155.993%0.9383%0.83SS**  trans-68.5141177.8-100.4-23.5000112.1
998R27.4Very low28.7Very low236 Ų236160.2 Ų160.289%0.89184%0.836SS**  trans-110.6153175.4-68.7177.9171.2179.3-3.3110.1
999R28.1Very low28.3Very low255 Ų255158.4 Ų158.496%0.96284%0.839SS**  trans-122.5152.3155-80.2-173.1170.2-176.9-2.9109.2
1000G28.3Very low28.2Very low73 Ų73158.6 Ų158.675%0.75384%0.84SS**  trans-87.2176.3-171.800000114.9
1001P31.7Very low28.7Very low135 Ų135159.8 Ų159.888%0.87784%0.839SS**  trans-95.5163.3-173.137.9-35.5000114.5
1002A26.3Very low28.8Very low97 Ų97158 Ų15880%0.80284%0.838SS**  trans-137.3161.1165.700000109.4
1003P33.3Very low28.9Very low131 Ų131160.2 Ų160.285%0.85184%0.841SS**  trans-96.3165.5-151.636.3-37.2000117.5
1004N26.5Very low29.1Very low159 Ų159161 Ų16185%0.8584%0.844SS**  trans-73.3155.2173.3-79.2-21.4000114
1005Q27.1Very low29Very low193 Ų193163.2 Ų163.290%0.90285%0.847SS**  trans-150.3173.7130.3-114.7175.726.100112.2
1006H27.3Very low29.2Very low179 Ų179160.2 Ų160.283%0.82984%0.841SS**  trans-72.7171.9-175.6-76.714.3000112.1
1007N26.7Very low29.2Very low131 Ų131154.4 Ų154.470%0.70183%0.834SS**  cis-157.5-173.433.4-155.88.1000115.2
1008Q25.7Very low29.1Very low178 Ų178152.1 Ų152.183%0.83282%0.822SS**  trans-52.6155175.3-62.4157.8-3.600114
1009G28.4Very low29Very low79 Ų79149.3 Ų149.381%0.81482%0.819SS**  trans-117-180174.300000113.3
1010N26.8Very low28.9Very low142 Ų142140.4 Ų140.476%0.75981%0.806SS**  trans-145.9167.1168.4-166.530.5000111
1011L43.8Very low28.7Very low155 Ų155145.9 Ų145.981%0.81281%0.814SS**  trans-86.9120.4172.6-61.8120.8000110.5
1012D28.1Very low28.3Very low140 Ų140145 Ų14575%0.74981%0.811SS**  trans-156.886.1164.4-89.1-51.4000110.1
1013F30.8Very low28.2Very low215 Ų215143.8 Ų143.894%0.94381%0.809SS**  trans-139.341.5165.1-147.4-96.8000112.3
1014L30.3Very low27.8Very low158 Ų158146.8 Ų146.883%0.82781%0.809SS**  trans-126.888.5162.3-92.8169.7000107.4
1015N26.4Very low27.8Very low166 Ų166146.7 Ų146.789%0.88880%0.803SS**  trans-177149.3147.4-92.9-33.4000111.5
1016V33.8Very low27.7Very low134 Ų134147.6 Ų147.681%0.81280%0.798SS**  trans-125.8147.8170.1-168.80000106.8
1017P29.1Very low27.6Very low112 Ų112148.3 Ų148.373%0.72780%0.799SS**  trans-141.8135.3139.532.6-16.5000115.7
1018D24.7Very low27.6Very low127 Ų127153.5 Ų153.568%0.67981%0.809SS**  trans41.5130.2139.8-73.5-65000125.5
1019Q25.8Very low27.7Very low176 Ų176148.7 Ų148.782%0.82280%0.795SS**  53.3121.7130-60.6176.948.600122.9
1020G25.2Very low27.7Very low68 Ų68153.1 Ų153.170%0.70180%0.798SS**  127.4142.5110.700000119.8
1021M24.1Very low27.7Very low188 Ų188150.8 Ų150.893%0.92679%0.793SS**  trans66.7163.6160.4-63.5-130.8-90.100119
1022S23.3Very low26.9Very low116 Ų116151.7 Ų151.781%0.81179%0.793SS**  cis-177126-49-111.50000111.5
1023G24.4Very low27.1Very low73 Ų73155.4 Ų155.475%0.75380%0.796SS**  trans111.4151.2138.500000122.6
1024K25.9Very low27.2Very low194 Ų194150.5 Ų150.584%0.84379%0.786SS**  trans78.3108156.5-60.1173.8-174.4172.50117.3
1025Q25.5Very low27.7Very low157 Ų157148.1 Ų148.173%0.73478%0.779SS**  82.2147.386.6-78.4-172.840.900113.9
1026R25.1Very low28.1Very low211 Ų211146 Ų14680%0.79678%0.775SS**  cis-159.9143.521.4-139.6173-159.2-155.91.2115
1027K26.6Very low27.8Very low194 Ų194143.9 Ų143.984%0.84377%0.772SS**  trans-3.5144.9157.6-55.4-178.9177.7-174.20122.1
1028R26.4Very low28Very low241 Ų241144.8 Ų144.891%0.90978%0.777SS**  -165.9179.1104.2-100.6-166.5159.9164.8-4.2110.9
1029S26.9Very low28.4Very low77 Ų77148 Ų14854%0.53879%0.786SS.*  -171.4141.7-87.653.50000114
1030I28.3Very low28.7Very low171 Ų171145.9 Ų145.988%0.87779%0.787SS**  trans71.6145.6163.7-61.9159000113.6
1031S26.7Very low29.3Very low94 Ų94151.2 Ų151.266%0.65779%0.793SS**  cis-126.7-158.56.654.60000110.5
1032H27.5Very low30Very low174 Ų174148 Ų14881%0.80679%0.786SS**  cis-149.3170-0.8-128-63.5000109.8
1033R31.4Very low30.7Very low218 Ų218153.5 Ų153.582%0.82379%0.789SS**  trans-170.1177.1174.8-120.6-177.5-178.2-167.70.1109.3
1034P34.5Very low31.6Very low112 Ų112156 Ų15673%0.72779%0.793SS**  cis-144.1-152.343.946.5-25.1000112.7
1035P39.2Very low32.8Very low107 Ų107154.5 Ų154.570%0.69579%0.788SS**  cis-120.5-152.4-12.640-19.1000112.5
1036P35.1Very low34.8Very low121 Ų121149.3 Ų149.379%0.78678%0.778SS**  -121164.5-95.138.6-22.8000115.4
1037A27.4Very low37.4Very low91 Ų91143.1 Ų143.175%0.75276%0.764SS**  trans-124161.9167.200000110.3
1038P34.4Very low40.3Very low130 Ų130137.5 Ų137.584%0.84474%0.738SS**PPolyproline II helixtrans-62.6163.2-173.8-25.336.2000115.7
1039K32.4Very low43.4Very low196 Ų196126 Ų12685%0.85270%0.695SS**PPolyproline II helixtrans-67141.4-179.4-61.7175.2-176.9173.80111.3Q1041K1039-Q1041 PolarHBondContact O-N 2.7Å
1040P32.5Very low46.5Very low130 Ų130126.5 Ų126.584%0.84469%0.685SS**PPolyproline II helixtrans-67.5128172.228.6-33.9000111
1041Q38.4Very low49.5Very low180 Ų180118.3 Ų118.384%0.84164%0.643SS**PPolyproline II helixtrans-76.4159.2164.9-75.1-177.4-7.500110.4K1039K1039-Q1041 PolarHBondContact O-N 2.7Å
1042P38.6Very low52.5Low120 Ų120117.4 Ų117.478%0.77963%0.63SS**PPolyproline II helixtrans-62.6156.9177.326.9-35.6000112
1043R38.5Very low55.3Low232 Ų232116.1 Ų116.188%0.87562%0.619SS**PPolyproline II helixtrans-59.7138.8173.5-63.2178.1-178.8175-1.3109.6Q1045R1043-Q1045 PolarHBondContact O-N 2.84Å
1044P42.7Very low58.1Low127 Ų127110.5 Ų110.583%0.82560%0.602SS**PPolyproline II helixtrans-60.5133.4171.926.5-33.7000109.6
1045Q51.5Low60.8Low161 Ų161106.2 Ų106.275%0.75257%0.572SS**PPolyproline II helixtrans-78.2143.6164.5-64.7-178.61.600107.8R1043R1043-Q1045 PolarHBondContact O-N 2.84Å
1046G66.3Low63.1Low49 Ų49106.2 Ų106.251%0.50557%0.565SS.*PPolyproline II helixtrans-67.7167171.400000111.4R1048G1046-R1048 VanDerWaalsContact O-CG 3.25Å; G1046-R1048 WeakPolarHBondContact O-CG 3.4Å
1047P80.7Confident65.6Low80 Ų80101.5 Ų101.552%0.51954%0.538SS..PPolyproline II helixtrans-56.9140.8174.525.5-33.9000110.6L1073P1047-L1073 HydrophobicContact CB-CB 4.4Å; P1047-L1073 HydrophobicContact CB-CD2 4.48Å; P1047-L1073 HydrophobicContact CG-CB 4.24Å; P1047-L1073 WeakPolarHBondContact O-CB 3.38Å; P1047-L1073 PolarHBondContact O-N 3Å
1048R87.1Confident68Low76 Ų76105.3 Ų105.329%0.28754%0.54SS..EExtended strand (participates in β ladder)trans-122.4164.3-177.3-47.2-170.477.8-135.4-10110.2G1046 V1070 F1071 D1072 K1100 I1101G1046-R1048 VanDerWaalsContact O-CG 3.25Å; G1046-R1048 WeakPolarHBondContact O-CG 3.4Å; R1048-V1070 HydrophobicContact CB-CG1 4.42Å; R1048-V1070 PolarHBondContact NH2-O 2.83Å; R1048-F1071 CarbonylContact C-O 3.49Å; R1048-F1071 VanDerWaalsContact CA-O 3.32Å; R1048-F1071 WeakPolarHBondContact CA-O 3.2Å; R1048-D1072 IonicContact CZ-OD1 3.31Å; R1048-D1072 VanDerWaalsContact CZ-OD1 3.31Å; R1048-D1072 IonicContact NE-OD1 2.76Å; R1048-D1072 PolarHBondContact NE-OD1 3.5Å; R1048-D1072 IonicContact NH2-OD1 2.95Å; R1048-D1072 PolarHBondContact NH2-OD1 3.11Å; R1048-K1100 WeakPolarHBondContact O-CA 3.42Å; R1048-I1101 HydrophobicContact CB-CD1 4.48Å; R1048-I1101 HydrophobicContact CB-CG1 3.91Å; R1048-I1101 PolarHBondContact N-O 3.37Å; R1048-I1101 PolarHBondContact O-N 3.48Å
1049C91Very high70.2Confident0 Ų0104.5 Ų104.50%053%0.529CS..EExtended strand (participates in β ladder)trans-128.6122.4-175.8-760000111.6V1070 F1071 V1098 E1099C1049-V1070 WeakPolarHBondContact O-CA 3.46Å; C1049-F1071 HydrophobicContact CB-CD2 4.33Å; C1049-F1071 HydrophobicContact CB-CE2 4.12Å; C1049-F1071 HydrophobicContact CB-CZ 4.34Å; C1049-F1071 PolarHBondContact N-O 2.83Å; C1049-F1071 PolarHBondContact O-N 3.29Å; C1049-V1098 HydrophobicContact CB-CB 4.01Å; C1049-V1098 HydrophobicContact CB-CG1 4.33Å; C1049-V1098 HydrophobicContact CB-CG2 3.93Å; C1049-E1099 CarbonylContact C-O 3.48Å; C1049-E1099 WeakPolarHBondContact CA-O 3.49Å
1050R92.7Very high72.3Confident87 Ų87102.3 Ų102.333%0.32853%0.532SS..EExtended strand (participates in β ladder)trans-65101.4158.7168-102.285.4133.8-13.4113.1L1052 D1069 V1070 V1098 E1099 I1101R1050-L1052 PolarHBondContact O-N 3.15Å; R1050-D1069 WeakPolarHBondContact CB-O 3.46Å; R1050-V1070 HydrophobicContact CB-CB 4.44Å; R1050-V1070 HydrophobicContact CB-CG2 3.8Å; R1050-V1070 HydrophobicContact CG-CG2 4.22Å; R1050-V1098 CarbonylContact O-C 3.49Å; R1050-V1098 WeakPolarHBondContact O-CA 3.34Å; R1050-V1098 WeakPolarHBondContact O-CB 3.41Å; R1050-E1099 WeakPolarHBondContact CA-O 3.41Å; R1050-E1099 IonicContact CZ-OE2 3.55Å; R1050-E1099 PolarHBondContact N-O 2.96Å; R1050-E1099 IonicContact NE-OE2 3.69Å; R1050-E1099 IonicContact NH2-OE2 2.64Å; R1050-E1099 PolarHBondContact NH2-OE2 2.84Å; R1050-E1099 PolarHBondContact O-N 2.9Å; R1050-I1101 HydrophobicContact CB-CD1 4.4Å
1051A91.8Very high74.9Confident0 Ų0100.5 Ų100.50%052%0.515CS..EExtended strand (participates in β ladder)trans-59.5121.4166.800000111.1F1065 E1066 N1068 D1069 F1071A1051-F1065 HydrophobicContact CB-CD2 3.58Å; A1051-F1065 HydrophobicContact CB-CE2 3.92Å; A1051-F1065 HydrophobicContact CB-CG 4.47Å; A1051-E1066 WeakPolarHBondContact CB-O 3.32Å; A1051-N1068 WeakPolarHBondContact O-CA 3.42Å; A1051-N1068 PolarHBondContact O-N 3.39Å; A1051-D1069 HydrophobicContact CB-CB 4.25Å; A1051-D1069 WeakPolarHBondContact CB-O 3.35Å; A1051-D1069 PolarHBondContact N-O 3.48Å; A1051-F1071 HydrophobicContact CB-CE1 4.26Å
1052L88.3Confident77.4Confident75 Ų7593.8 Ų93.839%0.39348%0.484SS..  trans-88.8-34.1176.9-63.9177.9000111.7R1050 Y1097 E1099R1050-L1052 PolarHBondContact O-N 3.15Å; L1052-Y1097 PolarHBondContact N-O 2.91Å; L1052-E1099 HydrophobicContact CD1-CB 4.21Å; L1052-E1099 HydrophobicContact CD2-CB 4Å; L1052-E1099 HydrophobicContact CG-CB 4.15Å
1053Y86.3Confident79.9Confident146 Ų14688.4 Ų88.457%0.57345%0.449SS*.SBendtrans-131.7155.6-179.3-52.5-76.5000110F1065Y1053-F1065 WeakPolarHBondContact O-CE2 3.31Å
1054Q91Very high82.4Confident100 Ų10080.3 Ų80.347%0.46743%0.427SS..  trans-65.6139.8169.4-175.7-174.834.500109.5F1065 E1066Q1054-F1065 WeakPolarHBondContact CA-O 3.21Å; Q1054-E1066 VanDerWaalsContact CD-OE2 3.31Å; Q1054-E1066 WeakPolarHBondContact CG-OE2 3.11Å; Q1054-E1066 VanDerWaalsContact NE2-CD 3.28Å; Q1054-E1066 PolarHBondContact NE2-OE1 3.1Å; Q1054-E1066 PolarHBondContact NE2-OE2 2.79Å
1055Y91.2Very high84.8Confident22 Ų2274.4 Ų74.49%0.08639%0.389CS..BIsolated β-bridgetrans-134.7134.7173-178.1-108.1000110.4E1062 I1063 S1064 F1065 W1081 F1093 P1094 Y1097Y1055-E1062 PolarHBondContact OH-OE1 2.86Å; Y1055-E1062 PolarHBondContact OH-OE2 2.9Å; Y1055-E1062 VanDerWaalsContact OH-OE2 3.07Å; Y1055-I1063 VanDerWaalsContact CD1-O 3.31Å; Y1055-I1063 WeakPolarHBondContact CD1-O 3.16Å; Y1055-S1064 CarbonylContact O-C 3.56Å; Y1055-S1064 VanDerWaalsContact O-CA 3.25Å; Y1055-S1064 WeakPolarHBondContact O-CA 3.44Å; Y1055-S1064 WeakPolarHBondContact O-CB 3.21Å; Y1055-F1065 HydrophobicContact CD1-CE1 4.06Å; Y1055-F1065 HydrophobicContact CD1-CZ 4.27Å; Y1055-F1065 HydrophobicContact CG-CE1 4.47Å; Y1055-F1065 HydrophobicContact CG-CZ 4.25Å; Y1055-F1065 PolarHBondContact N-O 2.96Å; Y1055-F1065 PolarHBondContact O-N 2.92Å; Y1055-W1081 WeakPolarHBondContact OH-CH2 3.42Å; Y1055-W1081 WeakPolarHBondContact OH-CZ3 3.49Å; Y1055-F1093 HydrophobicContact CD1-CB 4.48Å; Y1055-P1094 HydrophobicContact CD2-CG 3.8Å; Y1055-P1094 HydrophobicContact CE1-CG 4.43Å; Y1055-P1094 HydrophobicContact CE2-CG 3.73Å; Y1055-P1094 HydrophobicContact CG-CG 4.21Å; Y1055-Y1097 HydrophobicContact CD2-CD1 4.26Å; Y1055-Y1097 HydrophobicContact CD2-CE1 4.22Å
1056I88.1Confident86.7Confident108 Ų10871.1 Ų71.155%0.55437%0.373SS*.  trans-119.9118.7177.7-57.9176.5000106.9
1057G86.7Confident87.8Confident21 Ų2171 Ų7122%0.21637%0.367CS..  trans-66.2135.8177.600000111.1E1062 S1064G1057-E1062 VanDerWaalsContact CA-OE2 3.27Å; G1057-E1062 WeakPolarHBondContact CA-OE2 3.25Å; G1057-S1064 PolarHBondContact N-OG 2.77Å
1058Q77.9Confident88.1Confident172 Ų17272.3 Ų72.380%0.80437%0.37SS*.SBendtrans-95.4-34.4179.8-55.7-173.927.100111.1E1062Q1058-E1062 PolarHBondContact N-OE2 2.66Å
1059D79.9Confident88.3Confident113 Ų11370.1 Ų70.160%0.60436%0.364SS*.SBendtrans-109.3164.7178.4-86.6-53.9000113.4D1061 E1062D1059-D1061 VanDerWaalsContact C-N 3.26Å; D1059-D1061 PolarHBondContact O-N 2.94Å; D1059-E1062 PolarHBondContact N-OE2 2.8Å; D1059-E1062 PolarHBondContact O-N 2.94Å
1060T78.1Confident88.2Confident150 Ų15072.8 Ų72.892%0.9238%0.38SS*.THydrogen-bonded Turntrans-70.3-15.5-167.848.60000115.7
1061D86.3Confident88.1Confident92 Ų9268.8 Ų68.849%0.49237%0.365SS..THydrogen-bonded Turntrans-102.31.817956.5-43.3000113.4D1059 G1091 L1092D1059-D1061 VanDerWaalsContact C-N 3.26Å; D1059-D1061 PolarHBondContact O-N 2.94Å; D1061-G1091 CarbonylContact O-C 3.56Å; D1061-G1091 WeakPolarHBondContact O-CA 3.37Å; D1061-L1092 PolarHBondContact O-N 2.95Å
1062E90.3Very high88.1Confident39 Ų3971.9 Ų71.918%0.18238%0.382CS..BIsolated β-bridgetrans-91.1146.9175-64.7-179.7156.500112.6Y1055 G1057 Q1058 D1059 W1081 L1092Y1055-E1062 PolarHBondContact OH-OE1 2.86Å; Y1055-E1062 PolarHBondContact OH-OE2 2.9Å; Y1055-E1062 VanDerWaalsContact OH-OE2 3.07Å; G1057-E1062 VanDerWaalsContact CA-OE2 3.27Å; G1057-E1062 WeakPolarHBondContact CA-OE2 3.25Å; Q1058-E1062 PolarHBondContact N-OE2 2.66Å; D1059-E1062 PolarHBondContact N-OE2 2.8Å; D1059-E1062 PolarHBondContact O-N 2.94Å; E1062-W1081 HydrophobicContact CG-CZ3 4.34Å; E1062-W1081 WeakPolarHBondContact OE1-CH2 3.5Å; E1062-W1081 WeakPolarHBondContact OE1-CZ3 3.33Å; E1062-L1092 CarbonylContact C-O 3.48Å; E1062-L1092 VanDerWaalsContact CA-O 3.31Å; E1062-L1092 WeakPolarHBondContact CA-O 3.48Å; E1062-L1092 HydrophobicContact CG-CB 4.42Å
1063I91.6Very high88.2Confident7 Ų769.1 Ų69.14%0.03637%0.367CS..PPolyproline II helixtrans-101.2137.6173.251.6160.4000112Y1055 F1065 F1071 I1086 R1089 L1092 F1093Y1055-I1063 VanDerWaalsContact CD1-O 3.31Å; Y1055-I1063 WeakPolarHBondContact CD1-O 3.16Å; I1063-F1065 HydrophobicContact CD1-CD1 4.49Å; I1063-F1071 HydrophobicContact CD1-CD2 4.4Å; I1063-F1071 HydrophobicContact CD1-CE2 4.13Å; I1063-I1086 HydrophobicContact CB-CG2 3.93Å; I1063-I1086 HydrophobicContact CD1-CB 4.45Å; I1063-I1086 HydrophobicContact CD1-CG2 3.78Å; I1063-I1086 HydrophobicContact CG1-CG2 4.44Å; I1063-I1086 HydrophobicContact CG2-CG2 4.2Å; I1063-R1089 HydrophobicContact CG2-CB 4.32Å; I1063-L1092 PolarHBondContact N-O 3.2Å; I1063-F1093 HydrophobicContact CD1-CD1 3.99Å; I1063-F1093 HydrophobicContact CG1-CB 4.12Å; I1063-F1093 HydrophobicContact CG1-CD1 4.3Å
1064S92Very high88.3Confident61 Ų6165.3 Ų65.343%0.42736%0.359SS..PPolyproline II helixtrans-98.6142.6174.6-50.60000111.4Y1055 G1057Y1055-S1064 CarbonylContact O-C 3.56Å; Y1055-S1064 VanDerWaalsContact O-CA 3.25Å; Y1055-S1064 WeakPolarHBondContact O-CA 3.44Å; Y1055-S1064 WeakPolarHBondContact O-CB 3.21Å; G1057-S1064 PolarHBondContact N-OG 2.77Å
1065F92.1Very high88.1Confident4 Ų465.7 Ų65.72%0.01836%0.359CS..BIsolated β-bridgetrans-151.7155.3179.951.4-101.9000112.6A1051 Y1053 Q1054 Y1055 I1063 D1069 F1071 I1086 F1093 V1098A1051-F1065 HydrophobicContact CB-CD2 3.58Å; A1051-F1065 HydrophobicContact CB-CE2 3.92Å; A1051-F1065 HydrophobicContact CB-CG 4.47Å; Y1053-F1065 WeakPolarHBondContact O-CE2 3.31Å; Q1054-F1065 WeakPolarHBondContact CA-O 3.21Å; Y1055-F1065 HydrophobicContact CD1-CE1 4.06Å; Y1055-F1065 HydrophobicContact CD1-CZ 4.27Å; Y1055-F1065 HydrophobicContact CG-CE1 4.47Å; Y1055-F1065 HydrophobicContact CG-CZ 4.25Å; Y1055-F1065 PolarHBondContact N-O 2.96Å; Y1055-F1065 PolarHBondContact O-N 2.92Å; I1063-F1065 HydrophobicContact CD1-CD1 4.49Å; F1065-D1069 HydrophobicContact CB-CB 4.11Å; F1065-F1071 HydrophobicContact CB-CE1 4.18Å; F1065-F1071 AromaticContact CD1-CE1 3.63Å; F1065-F1071 HydrophobicContact CD1-CE1 3.63Å; F1065-F1071 AromaticContact CD1-CZ 3.71Å; F1065-F1071 HydrophobicContact CD1-CZ 3.71Å; F1065-F1071 HydrophobicContact CD2-CE1 4.08Å; F1065-F1071 AromaticContact CE1-CE1 3.91Å; F1065-F1071 HydrophobicContact CE1-CE1 3.91Å; F1065-F1071 AromaticContact CE1-CZ 3.57Å; F1065-F1071 HydrophobicContact CE1-CZ 3.57Å; F1065-F1071 HydrophobicContact CE2-CE1 4.34Å; F1065-F1071 AromaticContact CG-CE1 3.71Å; F1065-F1071 HydrophobicContact CG-CE1 3.71Å; F1065-F1071 HydrophobicContact CG-CZ 4.25Å; F1065-F1071 HydrophobicContact CZ-CE1 4.26Å; F1065-F1071 HydrophobicContact CZ-CZ 4.02Å; F1065-I1086 HydrophobicContact CB-CD1 3.57Å; F1065-F1093 HydrophobicContact CE1-CB 3.65Å; F1065-F1093 HydrophobicContact CE1-CD2 4.02Å; F1065-F1093 AromaticContact CE1-CG 3.96Å; F1065-F1093 HydrophobicContact CE1-CG 3.96Å; F1065-F1093 HydrophobicContact CZ-CB 4.26Å; F1065-F1093 HydrophobicContact CZ-CD2 4.1Å; F1065-F1093 HydrophobicContact CZ-CG 4.47Å; F1065-V1098 HydrophobicContact CE2-CG1 4.32Å; F1065-V1098 HydrophobicContact CZ-CG1 4.05Å
1066E91.6Very high88Confident92 Ų9269.3 Ų69.343%0.4338%0.377SS..  trans-91.5158.2176.4-65.9-58.2148.300111.9A1051 Q1054 N1068 D1069A1051-E1066 WeakPolarHBondContact CB-O 3.32Å; Q1054-E1066 VanDerWaalsContact CD-OE2 3.31Å; Q1054-E1066 WeakPolarHBondContact CG-OE2 3.11Å; Q1054-E1066 VanDerWaalsContact NE2-CD 3.28Å; Q1054-E1066 PolarHBondContact NE2-OE1 3.1Å; Q1054-E1066 PolarHBondContact NE2-OE2 2.79Å; E1066-N1068 PolarHBondContact O-N 3.09Å; E1066-D1069 PolarHBondContact N-OD2 3.44Å; E1066-D1069 WeakPolarHBondContact O-CB 3.46Å; E1066-D1069 PolarHBondContact O-N 3.46Å
1067A88.4Confident87.7Confident45 Ų4566.5 Ų66.537%0.37236%0.363SS..THydrogen-bonded Turntrans-60.2130.7172.700000110.5
1068N87.3Confident87.4Confident108 Ų10872 Ų7258%0.57840%0.395SS*.THydrogen-bonded Turntrans73.55.7-169.7-48.9-89.9000117.3A1051 E1066A1051-N1068 WeakPolarHBondContact O-CA 3.42Å; A1051-N1068 PolarHBondContact O-N 3.39Å; E1066-N1068 PolarHBondContact O-N 3.09Å
1069D90.8Very high87.6Confident30 Ų3067.5 Ų67.516%0.1638%0.383CS..  trans-57.9140.1163.2-96.9-47.9000110.4R1050 A1051 F1065 E1066 I1086 R1087R1050-D1069 WeakPolarHBondContact CB-O 3.46Å; A1051-D1069 HydrophobicContact CB-CB 4.25Å; A1051-D1069 WeakPolarHBondContact CB-O 3.35Å; A1051-D1069 PolarHBondContact N-O 3.48Å; F1065-D1069 HydrophobicContact CB-CB 4.11Å; E1066-D1069 PolarHBondContact N-OD2 3.44Å; E1066-D1069 WeakPolarHBondContact O-CB 3.46Å; E1066-D1069 PolarHBondContact O-N 3.46Å; D1069-I1086 HydrophobicContact CB-CD1 3.84Å; D1069-R1087 IonicContact OD1-CZ 3.61Å; D1069-R1087 IonicContact OD1-NE 3.72Å; D1069-R1087 IonicContact OD1-NH2 2.75Å; D1069-R1087 PolarHBondContact OD1-NH2 3.29Å; D1069-R1087 IonicContact OD2-CZ 3.54Å; D1069-R1087 IonicContact OD2-NH2 2.77Å; D1069-R1087 PolarHBondContact OD2-NH2 2.85Å
1070V90Very high87.8Confident57 Ų5763.7 Ų63.735%0.34537%0.37SS..EExtended strand (participates in β ladder)trans-115.4114.9177.7-172.80000110.2R1048 C1049 R1050 I1101R1048-V1070 HydrophobicContact CB-CG1 4.42Å; R1048-V1070 PolarHBondContact NH2-O 2.83Å; C1049-V1070 WeakPolarHBondContact O-CA 3.46Å; R1050-V1070 HydrophobicContact CB-CB 4.44Å; R1050-V1070 HydrophobicContact CB-CG2 3.8Å; R1050-V1070 HydrophobicContact CG-CG2 4.22Å; V1070-I1101 HydrophobicContact CG1-CD1 3.63Å
1071F91.1Very high88.4Confident2 Ų261.1 Ų61.11%0.00934%0.343CS..EExtended strand (participates in β ladder)trans-134.2167.5-175.260-94.9000113.1R1048 C1049 A1051 I1063 F1065 I1086 F1093 V1098R1048-F1071 CarbonylContact C-O 3.49Å; R1048-F1071 VanDerWaalsContact CA-O 3.32Å; R1048-F1071 WeakPolarHBondContact CA-O 3.2Å; C1049-F1071 HydrophobicContact CB-CD2 4.33Å; C1049-F1071 HydrophobicContact CB-CE2 4.12Å; C1049-F1071 HydrophobicContact CB-CZ 4.34Å; C1049-F1071 PolarHBondContact N-O 2.83Å; C1049-F1071 PolarHBondContact O-N 3.29Å; A1051-F1071 HydrophobicContact CB-CE1 4.26Å; I1063-F1071 HydrophobicContact CD1-CD2 4.4Å; I1063-F1071 HydrophobicContact CD1-CE2 4.13Å; F1065-F1071 HydrophobicContact CB-CE1 4.18Å; F1065-F1071 AromaticContact CD1-CE1 3.63Å; F1065-F1071 HydrophobicContact CD1-CE1 3.63Å; F1065-F1071 AromaticContact CD1-CZ 3.71Å; F1065-F1071 HydrophobicContact CD1-CZ 3.71Å; F1065-F1071 HydrophobicContact CD2-CE1 4.08Å; F1065-F1071 AromaticContact CE1-CE1 3.91Å; F1065-F1071 HydrophobicContact CE1-CE1 3.91Å; F1065-F1071 AromaticContact CE1-CZ 3.57Å; F1065-F1071 HydrophobicContact CE1-CZ 3.57Å; F1065-F1071 HydrophobicContact CE2-CE1 4.34Å; F1065-F1071 AromaticContact CG-CE1 3.71Å; F1065-F1071 HydrophobicContact CG-CE1 3.71Å; F1065-F1071 HydrophobicContact CG-CZ 4.25Å; F1065-F1071 HydrophobicContact CZ-CE1 4.26Å; F1065-F1071 HydrophobicContact CZ-CZ 4.02Å; F1071-I1086 HydrophobicContact CB-CB 3.63Å; F1071-I1086 HydrophobicContact CB-CD1 4.25Å; F1071-I1086 HydrophobicContact CB-CG1 3.89Å; F1071-I1086 HydrophobicContact CD1-CB 4.48Å; F1071-I1086 HydrophobicContact CD1-CD1 3.99Å; F1071-I1086 HydrophobicContact CG-CB 4.09Å; F1071-I1086 HydrophobicContact CG-CD1 4.41Å; F1071-I1086 HydrophobicContact CG-CG1 4.47Å; F1071-F1093 HydrophobicContact CE2-CD1 4.08Å; F1071-F1093 HydrophobicContact CE2-CD2 4.4Å; F1071-F1093 AromaticContact CE2-CE1 3.71Å; F1071-F1093 HydrophobicContact CE2-CE1 3.71Å; F1071-F1093 HydrophobicContact CE2-CE2 4.06Å; F1071-F1093 HydrophobicContact CE2-CG 4.42Å; F1071-F1093 AromaticContact CE2-CZ 3.68Å; F1071-F1093 HydrophobicContact CE2-CZ 3.68Å; F1071-F1093 HydrophobicContact CZ-CD2 4.16Å; F1071-F1093 HydrophobicContact CZ-CE1 4.4Å; F1071-F1093 HydrophobicContact CZ-CE2 4.04Å; F1071-F1093 HydrophobicContact CZ-CG 4.4Å; F1071-F1093 HydrophobicContact CZ-CZ 4.15Å; F1071-V1098 HydrophobicContact CE1-CG1 4.19Å; F1071-V1098 HydrophobicContact CZ-CG1 3.7Å
1072D91.6Very high88.7Confident66 Ų6658.7 Ų58.735%0.35333%0.327SS..EExtended strand (participates in β ladder)trans-93133.9-169.6-52.9-18.5000110.1R1048 G1084 R1085R1048-D1072 IonicContact CZ-OD1 3.31Å; R1048-D1072 VanDerWaalsContact CZ-OD1 3.31Å; R1048-D1072 IonicContact NE-OD1 2.76Å; R1048-D1072 PolarHBondContact NE-OD1 3.5Å; R1048-D1072 IonicContact NH2-OD1 2.95Å; R1048-D1072 PolarHBondContact NH2-OD1 3.11Å; D1072-G1084 CarbonylContact O-C 3.52Å; D1072-G1084 WeakPolarHBondContact O-CA 3.34Å; D1072-R1085 PolarHBondContact N-O 2.92Å; D1072-R1085 PolarHBondContact O-N 3.39Å
1073L89.8Confident88.7Confident16 Ų1658.1 Ų58.18%0.08433%0.327CS..EExtended strand (participates in β ladder)trans-86.5120.3179-179.163.1000109.5P1047 E1076 W1082 F1093 K1100P1047-L1073 HydrophobicContact CB-CB 4.4Å; P1047-L1073 HydrophobicContact CB-CD2 4.48Å; P1047-L1073 HydrophobicContact CG-CB 4.24Å; P1047-L1073 WeakPolarHBondContact O-CB 3.38Å; P1047-L1073 PolarHBondContact O-N 3Å; L1073-E1076 HydrophobicContact CD1-CG 4.35Å; L1073-E1076 HydrophobicContact CD2-CG 3.95Å; L1073-E1076 HydrophobicContact CG-CG 4.46Å; L1073-W1082 HydrophobicContact CD1-CB 4.1Å; L1073-W1082 HydrophobicContact CD1-CD2 4.39Å; L1073-W1082 HydrophobicContact CD1-CE3 3.95Å; L1073-W1082 HydrophobicContact CD1-CG 4.49Å; L1073-F1093 HydrophobicContact CD1-CE1 4.42Å; L1073-F1093 HydrophobicContact CD1-CZ 4.08Å; L1073-K1100 HydrophobicContact CD2-CD 4.33Å
1074V87.7Confident88.7Confident67 Ų6757.8 Ų57.841%0.40633%0.325SS..EExtended strand (participates in β ladder)trans-96.7-43.9-175.9-176.60000111.3T1083 R1085 E1090V1074-T1083 WeakPolarHBondContact CA-O 3.32Å; V1074-T1083 HydrophobicContact CB-CG2 4.32Å; V1074-T1083 WeakPolarHBondContact CB-O 3.35Å; V1074-T1083 PolarHBondContact N-O 3.41Å; V1074-R1085 HydrophobicContact CG2-CB 3.93Å; V1074-E1090 HydrophobicContact CG2-CG 4.34Å
1075K88.2Confident88.6Confident107 Ų10760.9 Ų60.947%0.46533%0.327SS..EExtended strand (participates in β ladder)trans-153.3139.7-179.8-168.4-156.7160.5-151.10110.7D1077 T1083K1075-D1077 IonicContact NZ-OD2 2.69Å; K1075-D1077 PolarHBondContact NZ-OD2 2.67Å; K1075-T1083 PolarHBondContact N-O 3.16Å; K1075-T1083 VanDerWaalsContact N-O 3.11Å; K1075-T1083 PolarHBondContact O-N 3.11Å
1076E88.9Confident88.4Confident98 Ų9861.2 Ų61.246%0.45833%0.329SS..  trans-95.1143.6164.9-63-179.3-132.300110.2L1073 W1082 K1100L1073-E1076 HydrophobicContact CD1-CG 4.35Å; L1073-E1076 HydrophobicContact CD2-CG 3.95Å; L1073-E1076 HydrophobicContact CG-CG 4.46Å; E1076-W1082 HydrophobicContact CG-CD2 4.17Å; E1076-W1082 HydrophobicContact CG-CG 4.38Å; E1076-K1100 WeakPolarHBondContact OE1-CE 3.2Å; E1076-K1100 IonicContact OE1-NZ 2.66Å; E1076-K1100 PolarHBondContact OE1-NZ 3.08Å; E1076-K1100 IonicContact OE2-NZ 2.65Å; E1076-K1100 PolarHBondContact OE2-NZ 2.91Å
1077D82.1Confident87.9Confident49 Ų4966 Ų6626%0.26234%0.343SS..  trans-125.3137.9176.2-160.4-87.5000110.9K1075 S1079 G1080 W1081K1075-D1077 IonicContact NZ-OD2 2.69Å; K1075-D1077 PolarHBondContact NZ-OD2 2.67Å; D1077-S1079 PolarHBondContact O-N 2.9Å; D1077-S1079 VanDerWaalsContact O-N 3.1Å; D1077-S1079 VanDerWaalsContact OD1-CB 3.31Å; D1077-S1079 WeakPolarHBondContact OD1-CB 3.4Å; D1077-S1079 PolarHBondContact OD1-N 3.39Å; D1077-S1079 PolarHBondContact OD1-OG 3.46Å; D1077-G1080 PolarHBondContact O-N 3.47Å; D1077-W1081 WeakPolarHBondContact CB-O 3.43Å
1078P79.3Confident87.3Confident137 Ų13767.4 Ų67.489%0.8936%0.362SS*.THydrogen-bonded Turntrans-59.8-17.8178.2-25.535.5000115G1080P1078-G1080 PolarHBondContact O-N 2.89Å
1079S82.5Confident86.7Confident78 Ų7871.8 Ų71.855%0.54537%0.371SS..THydrogen-bonded Turntrans-69.1-11.6173.259.40000114.5D1077 W1081D1077-S1079 PolarHBondContact O-N 2.9Å; D1077-S1079 VanDerWaalsContact O-N 3.1Å; D1077-S1079 VanDerWaalsContact OD1-CB 3.31Å; D1077-S1079 WeakPolarHBondContact OD1-CB 3.4Å; D1077-S1079 PolarHBondContact OD1-N 3.39Å; D1077-S1079 PolarHBondContact OD1-OG 3.46Å; S1079-W1081 VanDerWaalsContact C-N 3.33Å
1080G83.8Confident86.7Confident32 Ų3274.9 Ų74.933%0.3338%0.384SS..SBendtrans87.3-3.2-174.800000114.5D1077 P1078 G1095D1077-G1080 PolarHBondContact O-N 3.47Å; P1078-G1080 PolarHBondContact O-N 2.89Å; G1080-G1095 PolarHBondContact O-N 3.06Å
1081W90.8Very high86.7Confident97 Ų9772.6 Ų72.637%0.36737%0.372SS..EExtended strand (participates in β ladder)trans-98.2107.4174.2-7388.2000110.4Y1055 E1062 D1077 S1079 L1092 F1093Y1055-W1081 WeakPolarHBondContact OH-CH2 3.42Å; Y1055-W1081 WeakPolarHBondContact OH-CZ3 3.49Å; E1062-W1081 HydrophobicContact CG-CZ3 4.34Å; E1062-W1081 WeakPolarHBondContact OE1-CH2 3.5Å; E1062-W1081 WeakPolarHBondContact OE1-CZ3 3.33Å; D1077-W1081 WeakPolarHBondContact CB-O 3.43Å; S1079-W1081 VanDerWaalsContact C-N 3.33Å; W1081-L1092 HydrophobicContact CE3-CB 4.29Å; W1081-F1093 CarbonylContact C-O 3.53Å; W1081-F1093 WeakPolarHBondContact CA-O 3.21Å
1082W93Very high86.8Confident40 Ų4075 Ų7515%0.15239%0.385CS..EExtended strand (participates in β ladder)trans-94.2154.2-176-63.5-4.4000110.8L1073 E1076 L1092 F1093 V1098 K1100L1073-W1082 HydrophobicContact CD1-CB 4.1Å; L1073-W1082 HydrophobicContact CD1-CD2 4.39Å; L1073-W1082 HydrophobicContact CD1-CE3 3.95Å; L1073-W1082 HydrophobicContact CD1-CG 4.49Å; E1076-W1082 HydrophobicContact CG-CD2 4.17Å; E1076-W1082 HydrophobicContact CG-CG 4.38Å; W1082-L1092 CarbonylContact O-C 3.57Å; W1082-L1092 WeakPolarHBondContact O-CA 3.5Å; W1082-F1093 HydrophobicContact CB-CD1 4.32Å; W1082-F1093 HydrophobicContact CB-CE1 3.66Å; W1082-F1093 HydrophobicContact CB-CE2 4.1Å; W1082-F1093 HydrophobicContact CB-CZ 3.55Å; W1082-F1093 HydrophobicContact CE3-CE2 4.07Å; W1082-F1093 AromaticContact CE3-CZ 3.94Å; W1082-F1093 HydrophobicContact CE3-CZ 3.94Å; W1082-F1093 HydrophobicContact CG-CZ 4.44Å; W1082-F1093 PolarHBondContact N-O 3.38Å; W1082-F1093 WeakPolarHBondContact O-CD1 3.42Å; W1082-F1093 WeakPolarHBondContact O-CE1 3.35Å; W1082-F1093 PolarHBondContact O-N 2.78Å; W1082-V1098 HydrophobicContact CE3-CG2 4.05Å; W1082-V1098 HydrophobicContact CZ3-CG2 3.69Å; W1082-K1100 VanDerWaalsContact CH2-CE 3.41Å; W1082-K1100 HydrophobicContact CZ3-CG 4.32Å
1083T90.9Very high86.8Confident28 Ų2871.9 Ų71.917%0.17237%0.368CS..EExtended strand (participates in β ladder)trans-97.7125.2173.8-43.60000109.2V1074 K1075 E1090 G1091V1074-T1083 WeakPolarHBondContact CA-O 3.32Å; V1074-T1083 HydrophobicContact CB-CG2 4.32Å; V1074-T1083 WeakPolarHBondContact CB-O 3.35Å; V1074-T1083 PolarHBondContact N-O 3.41Å; K1075-T1083 PolarHBondContact N-O 3.16Å; K1075-T1083 VanDerWaalsContact N-O 3.11Å; K1075-T1083 PolarHBondContact O-N 3.11Å; T1083-E1090 HydrophobicContact CG2-CG 4Å; T1083-G1091 WeakPolarHBondContact CA-O 3.07Å
1084G91.1Very high86.9Confident0 Ų071.7 Ų71.70%037%0.368CS..EExtended strand (participates in β ladder)trans-135159.2-176.700000112.1D1072 E1090 G1091D1072-G1084 CarbonylContact O-C 3.52Å; D1072-G1084 WeakPolarHBondContact O-CA 3.34Å; G1084-E1090 WeakPolarHBondContact O-CA 3.35Å; G1084-G1091 PolarHBondContact N-O 2.87Å; G1084-G1091 PolarHBondContact O-N 2.86Å; G1084-G1091 VanDerWaalsContact O-N 3.1Å
1085R90.1Very high86.9Confident126 Ų12668.8 Ų68.848%0.47535%0.352SS..EExtended strand (participates in β ladder)trans-122.5106.8179.9-167.6-175.5-68.5163.8-2.4111.4D1072 V1074 R1089 E1090D1072-R1085 PolarHBondContact N-O 2.92Å; D1072-R1085 PolarHBondContact O-N 3.39Å; V1074-R1085 HydrophobicContact CG2-CB 3.93Å; R1085-R1089 CarbonylContact C-O 3.52Å; R1085-R1089 VanDerWaalsContact CA-O 3.24Å; R1085-R1089 WeakPolarHBondContact CA-O 3.48Å; R1085-R1089 WeakPolarHBondContact CG-O 3.34Å; R1085-E1090 HydrophobicContact CB-CB 4.47Å; R1085-E1090 HydrophobicContact CG-CB 4.28Å; R1085-E1090 IonicContact CZ-OE2 2.65Å; R1085-E1090 IonicContact NE-OE2 3.11Å; R1085-E1090 PolarHBondContact NE-OE2 3.14Å; R1085-E1090 IonicContact NH2-OE2 2.68Å; R1085-E1090 PolarHBondContact NH2-OE2 2.91Å
1086I86.8Confident87.1Confident11 Ų1169.5 Ų69.56%0.05636%0.36CS..EExtended strand (participates in β ladder)trans-119.4134.6178.5-170.7171.3000111.1I1063 F1065 D1069 F1071 G1088 R1089I1063-I1086 HydrophobicContact CB-CG2 3.93Å; I1063-I1086 HydrophobicContact CD1-CB 4.45Å; I1063-I1086 HydrophobicContact CD1-CG2 3.78Å; I1063-I1086 HydrophobicContact CG1-CG2 4.44Å; I1063-I1086 HydrophobicContact CG2-CG2 4.2Å; F1065-I1086 HydrophobicContact CB-CD1 3.57Å; D1069-I1086 HydrophobicContact CB-CD1 3.84Å; F1071-I1086 HydrophobicContact CB-CB 3.63Å; F1071-I1086 HydrophobicContact CB-CD1 4.25Å; F1071-I1086 HydrophobicContact CB-CG1 3.89Å; F1071-I1086 HydrophobicContact CD1-CB 4.48Å; F1071-I1086 HydrophobicContact CD1-CD1 3.99Å; F1071-I1086 HydrophobicContact CG-CB 4.09Å; F1071-I1086 HydrophobicContact CG-CD1 4.41Å; F1071-I1086 HydrophobicContact CG-CG1 4.47Å; I1086-G1088 PolarHBondContact O-N 3.13Å; I1086-R1089 PolarHBondContact N-O 3.1Å; I1086-R1089 PolarHBondContact O-N 3.41Å
1087R82.1Confident87.2Confident191 Ų19168.9 Ų68.972%0.72135%0.354SS*.THydrogen-bonded Turntrans49.930.6174.3-64.2163.6-168.3-177.34.3114.1D1069D1069-R1087 IonicContact OD1-CZ 3.61Å; D1069-R1087 IonicContact OD1-NE 3.72Å; D1069-R1087 IonicContact OD1-NH2 2.75Å; D1069-R1087 PolarHBondContact OD1-NH2 3.29Å; D1069-R1087 IonicContact OD2-CZ 3.54Å; D1069-R1087 IonicContact OD2-NH2 2.77Å; D1069-R1087 PolarHBondContact OD2-NH2 2.85Å
1088G74.9Confident87.6Confident76 Ų7667.1 Ų67.178%0.78435%0.345SS*.THydrogen-bonded Turntrans85.30.3-179.900000116I1086I1086-G1088 PolarHBondContact O-N 3.13Å
1089R76.1Confident88.2Confident200 Ų20064.8 Ų64.876%0.75532%0.323SS*.EExtended strand (participates in β ladder)trans-99.8149.1167.8-65.8-173.9179.7-172.3-0.2110.2I1063 R1085 I1086I1063-R1089 HydrophobicContact CG2-CB 4.32Å; R1085-R1089 CarbonylContact C-O 3.52Å; R1085-R1089 VanDerWaalsContact CA-O 3.24Å; R1085-R1089 WeakPolarHBondContact CA-O 3.48Å; R1085-R1089 WeakPolarHBondContact CG-O 3.34Å; I1086-R1089 PolarHBondContact N-O 3.1Å; I1086-R1089 PolarHBondContact O-N 3.41Å
1090E89.9Confident88.5Confident95 Ų9565.8 Ų65.844%0.44432%0.317SS..EExtended strand (participates in β ladder)trans-125.1139.9175.6-175.1169137.500108.9V1074 T1083 G1084 R1085V1074-E1090 HydrophobicContact CG2-CG 4.34Å; T1083-E1090 HydrophobicContact CG2-CG 4Å; G1084-E1090 WeakPolarHBondContact O-CA 3.35Å; R1085-E1090 HydrophobicContact CB-CB 4.47Å; R1085-E1090 HydrophobicContact CG-CB 4.28Å; R1085-E1090 IonicContact CZ-OE2 2.65Å; R1085-E1090 IonicContact NE-OE2 3.11Å; R1085-E1090 PolarHBondContact NE-OE2 3.14Å; R1085-E1090 IonicContact NH2-OE2 2.68Å; R1085-E1090 PolarHBondContact NH2-OE2 2.91Å
1091G91Very high88.2Confident9 Ų970.2 Ų70.29%0.09333%0.332CS..EExtended strand (participates in β ladder)trans176.3-175.3-176.500000112.9D1061 T1083 G1084D1061-G1091 CarbonylContact O-C 3.56Å; D1061-G1091 WeakPolarHBondContact O-CA 3.37Å; T1083-G1091 WeakPolarHBondContact CA-O 3.07Å; G1084-G1091 PolarHBondContact N-O 2.87Å; G1084-G1091 PolarHBondContact O-N 2.86Å; G1084-G1091 VanDerWaalsContact O-N 3.1Å
1092L91.7Very high88.1Confident53 Ų5368.9 Ų68.928%0.27733%0.33SS..EExtended strand (participates in β ladder)trans-82.4151.2-176.6-65.5175.6000112.8D1061 E1062 I1063 W1081 W1082D1061-L1092 PolarHBondContact O-N 2.95Å; E1062-L1092 CarbonylContact C-O 3.48Å; E1062-L1092 VanDerWaalsContact CA-O 3.31Å; E1062-L1092 WeakPolarHBondContact CA-O 3.48Å; E1062-L1092 HydrophobicContact CG-CB 4.42Å; I1063-L1092 PolarHBondContact N-O 3.2Å; W1081-L1092 HydrophobicContact CE3-CB 4.29Å; W1082-L1092 CarbonylContact O-C 3.57Å; W1082-L1092 WeakPolarHBondContact O-CA 3.5Å
1093F91.9Very high87.8Confident0 Ų070.4 Ų70.40%034%0.34CS..EExtended strand (participates in β ladder)trans-156.5155.5170.469.8-81.5000111.9Y1055 I1063 F1065 F1071 L1073 W1081 W1082 G1095 V1098Y1055-F1093 HydrophobicContact CD1-CB 4.48Å; I1063-F1093 HydrophobicContact CD1-CD1 3.99Å; I1063-F1093 HydrophobicContact CG1-CB 4.12Å; I1063-F1093 HydrophobicContact CG1-CD1 4.3Å; F1065-F1093 HydrophobicContact CE1-CB 3.65Å; F1065-F1093 HydrophobicContact CE1-CD2 4.02Å; F1065-F1093 AromaticContact CE1-CG 3.96Å; F1065-F1093 HydrophobicContact CE1-CG 3.96Å; F1065-F1093 HydrophobicContact CZ-CB 4.26Å; F1065-F1093 HydrophobicContact CZ-CD2 4.1Å; F1065-F1093 HydrophobicContact CZ-CG 4.47Å; F1071-F1093 HydrophobicContact CE2-CD1 4.08Å; F1071-F1093 HydrophobicContact CE2-CD2 4.4Å; F1071-F1093 AromaticContact CE2-CE1 3.71Å; F1071-F1093 HydrophobicContact CE2-CE1 3.71Å; F1071-F1093 HydrophobicContact CE2-CE2 4.06Å; F1071-F1093 HydrophobicContact CE2-CG 4.42Å; F1071-F1093 AromaticContact CE2-CZ 3.68Å; F1071-F1093 HydrophobicContact CE2-CZ 3.68Å; F1071-F1093 HydrophobicContact CZ-CD2 4.16Å; F1071-F1093 HydrophobicContact CZ-CE1 4.4Å; F1071-F1093 HydrophobicContact CZ-CE2 4.04Å; F1071-F1093 HydrophobicContact CZ-CG 4.4Å; F1071-F1093 HydrophobicContact CZ-CZ 4.15Å; L1073-F1093 HydrophobicContact CD1-CE1 4.42Å; L1073-F1093 HydrophobicContact CD1-CZ 4.08Å; W1081-F1093 CarbonylContact C-O 3.53Å; W1081-F1093 WeakPolarHBondContact CA-O 3.21Å; W1082-F1093 HydrophobicContact CB-CD1 4.32Å; W1082-F1093 HydrophobicContact CB-CE1 3.66Å; W1082-F1093 HydrophobicContact CB-CE2 4.1Å; W1082-F1093 HydrophobicContact CB-CZ 3.55Å; W1082-F1093 HydrophobicContact CE3-CE2 4.07Å; W1082-F1093 AromaticContact CE3-CZ 3.94Å; W1082-F1093 HydrophobicContact CE3-CZ 3.94Å; W1082-F1093 HydrophobicContact CG-CZ 4.44Å; W1082-F1093 PolarHBondContact N-O 3.38Å; W1082-F1093 WeakPolarHBondContact O-CD1 3.42Å; W1082-F1093 WeakPolarHBondContact O-CE1 3.35Å; W1082-F1093 PolarHBondContact O-N 2.78Å; F1093-G1095 PolarHBondContact O-N 2.95Å; F1093-V1098 HydrophobicContact CD2-CG1 3.99Å; F1093-V1098 HydrophobicContact CE2-CB 4.33Å; F1093-V1098 HydrophobicContact CE2-CG1 3.6Å; F1093-V1098 HydrophobicContact CE2-CG2 3.7Å; F1093-V1098 HydrophobicContact CZ-CG2 4.37Å
1094P91.8Very high87.6Confident12 Ų1272.8 Ų72.88%0.07835%0.349CS..EExtended strand (participates in β ladder)trans-71.9117.9176.528-34.3000111.5Y1055 N1096 Y1097Y1055-P1094 HydrophobicContact CD2-CG 3.8Å; Y1055-P1094 HydrophobicContact CE1-CG 4.43Å; Y1055-P1094 HydrophobicContact CE2-CG 3.73Å; Y1055-P1094 HydrophobicContact CG-CG 4.21Å; P1094-N1096 PolarHBondContact O-N 3.24Å; P1094-N1096 VanDerWaalsContact O-N 3.12Å; P1094-Y1097 HydrophobicContact CB-CD2 3.89Å; P1094-Y1097 HydrophobicContact CB-CE2 4.41Å; P1094-Y1097 HydrophobicContact CG-CD2 3.56Å; P1094-Y1097 HydrophobicContact CG-CE2 4.08Å; P1094-Y1097 HydrophobicContact CG-CG 3.86Å; P1094-Y1097 WeakPolarHBondContact O-CB 3.29Å; P1094-Y1097 PolarHBondContact O-N 3.44Å
1095G88.4Confident87.4Confident6 Ų677.1 Ų77.16%0.06237%0.37CS..G310 helixtrans-63.6-19.2-174.100000115.1G1080 F1093 Y1097G1080-G1095 PolarHBondContact O-N 3.06Å; F1093-G1095 PolarHBondContact O-N 2.95Å; G1095-Y1097 VanDerWaalsContact C-N 3.29Å; G1095-Y1097 PolarHBondContact O-N 2.91Å
1096N91.9Very high87.3Confident121 Ų12174 Ų7465%0.64736%0.363SS*.G310 helixtrans-81-2.8174.266.9-43.4000114.1P1094 V1098P1094-N1096 PolarHBondContact O-N 3.24Å; P1094-N1096 VanDerWaalsContact O-N 3.12Å; N1096-V1098 VanDerWaalsContact C-N 3.32Å
1097Y90.3Very high87.3Confident85 Ų8578.2 Ų78.233%0.33338%0.384SS..G310 helixtrans-88.1-0.6172-81.9-121.5000112.7L1052 Y1055 P1094 G1095L1052-Y1097 PolarHBondContact N-O 2.91Å; Y1055-Y1097 HydrophobicContact CD2-CD1 4.26Å; Y1055-Y1097 HydrophobicContact CD2-CE1 4.22Å; P1094-Y1097 HydrophobicContact CB-CD2 3.89Å; P1094-Y1097 HydrophobicContact CB-CE2 4.41Å; P1094-Y1097 HydrophobicContact CG-CD2 3.56Å; P1094-Y1097 HydrophobicContact CG-CE2 4.08Å; P1094-Y1097 HydrophobicContact CG-CG 3.86Å; P1094-Y1097 WeakPolarHBondContact O-CB 3.29Å; P1094-Y1097 PolarHBondContact O-N 3.44Å; G1095-Y1097 VanDerWaalsContact C-N 3.29Å; G1095-Y1097 PolarHBondContact O-N 2.91Å
1098V91.7Very high87.7Confident12 Ų1270.1 Ų70.17%0.07336%0.36CS..EExtended strand (participates in β ladder)trans-132.7162.3-177.5-47.80000113.2C1049 R1050 F1065 F1071 W1082 F1093 N1096C1049-V1098 HydrophobicContact CB-CB 4.01Å; C1049-V1098 HydrophobicContact CB-CG1 4.33Å; C1049-V1098 HydrophobicContact CB-CG2 3.93Å; R1050-V1098 CarbonylContact O-C 3.49Å; R1050-V1098 WeakPolarHBondContact O-CA 3.34Å; R1050-V1098 WeakPolarHBondContact O-CB 3.41Å; F1065-V1098 HydrophobicContact CE2-CG1 4.32Å; F1065-V1098 HydrophobicContact CZ-CG1 4.05Å; F1071-V1098 HydrophobicContact CE1-CG1 4.19Å; F1071-V1098 HydrophobicContact CZ-CG1 3.7Å; W1082-V1098 HydrophobicContact CE3-CG2 4.05Å; W1082-V1098 HydrophobicContact CZ3-CG2 3.69Å; F1093-V1098 HydrophobicContact CD2-CG1 3.99Å; F1093-V1098 HydrophobicContact CE2-CB 4.33Å; F1093-V1098 HydrophobicContact CE2-CG1 3.6Å; F1093-V1098 HydrophobicContact CE2-CG2 3.7Å; F1093-V1098 HydrophobicContact CZ-CG2 4.37Å; N1096-V1098 VanDerWaalsContact C-N 3.32Å
1099E91.6Very high88.7Confident88 Ų8869.7 Ų69.741%0.41133%0.327SS..EExtended strand (participates in β ladder)trans-116.4139.8166.6179.5-173.9-133.900108.6C1049 R1050 L1052C1049-E1099 CarbonylContact C-O 3.48Å; C1049-E1099 WeakPolarHBondContact CA-O 3.49Å; R1050-E1099 WeakPolarHBondContact CA-O 3.41Å; R1050-E1099 IonicContact CZ-OE2 3.55Å; R1050-E1099 PolarHBondContact N-O 2.96Å; R1050-E1099 IonicContact NE-OE2 3.69Å; R1050-E1099 IonicContact NH2-OE2 2.64Å; R1050-E1099 PolarHBondContact NH2-OE2 2.84Å; R1050-E1099 PolarHBondContact O-N 2.9Å; L1052-E1099 HydrophobicContact CD1-CB 4.21Å; L1052-E1099 HydrophobicContact CD2-CB 4Å; L1052-E1099 HydrophobicContact CG-CB 4.15Å
1100K87.9Confident89.7Confident99 Ų9958.8 Ų58.843%0.4329%0.291SS..EExtended strand (participates in β ladder)trans-79.2139.2176.3-58.6-180-168.6175.40110.3R1048 L1073 E1076 W1082R1048-K1100 WeakPolarHBondContact O-CA 3.42Å; L1073-K1100 HydrophobicContact CD2-CD 4.33Å; E1076-K1100 WeakPolarHBondContact OE1-CE 3.2Å; E1076-K1100 IonicContact OE1-NZ 2.66Å; E1076-K1100 PolarHBondContact OE1-NZ 3.08Å; E1076-K1100 IonicContact OE2-NZ 2.65Å; E1076-K1100 PolarHBondContact OE2-NZ 2.91Å; W1082-K1100 VanDerWaalsContact CH2-CE 3.41Å; W1082-K1100 HydrophobicContact CZ3-CG 4.32Å
1101I78.6Confident89.7Confident126 Ų12655.5 Ų55.565%0.64628%0.277SS*.  trans-1330179.870.7166.4000112.5R1048 R1050 V1070R1048-I1101 HydrophobicContact CB-CD1 4.48Å; R1048-I1101 HydrophobicContact CB-CG1 3.91Å; R1048-I1101 PolarHBondContact N-O 3.37Å; R1048-I1101 PolarHBondContact O-N 3.48Å; R1050-I1101 HydrophobicContact CB-CD1 4.4Å; V1070-I1101 HydrophobicContact CG1-CD1 3.63Å

Retrieved 1,101 of 1,101 residues in 238.1 ms (Link to these results)

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