A0A077Z160_TRITR Loading...

PX domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z160, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 276 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M54.1Low85.9Confident240 Ų24079.5 Ų79.5100%1.18238%0.384SS*.  0127.10-172.4171.7-179.800107.6
2M71Confident86Confident97 Ų9775 Ų7548%0.47837%0.37SS..  trans-86.3115.5-178.5-178.3174.3131.700108.9V4 I27 F96M2-V4 HydrophobicContact CE-CG2 3.47Å; M2-V4 VanDerWaalsContact CE-CG2 3.47Å; M2-V4 HydrophobicContact CG-CG2 4.31Å; M2-I27 HydrophobicContact CE-CD1 3.41Å; M2-I27 VanDerWaalsContact CE-CD1 3.41Å; M2-I27 HydrophobicContact CE-CG1 3.84Å; M2-I27 HydrophobicContact CE-CG2 4.2Å; M2-I27 HydrophobicContact CG-CG2 3.49Å; M2-I27 VanDerWaalsContact CG-CG2 3.49Å; M2-I27 HydrophobicContact SD-CD1 4.17Å; M2-I27 HydrophobicContact SD-CG2 4.06Å; M2-F96 HydrophobicContact CE-CD2 4.04Å; M2-F96 HydrophobicContact CE-CE2 3.92Å; M2-F96 HydrophobicContact CE-CZ 4.4Å
3H80.9Confident85.9Confident96 Ų9674.8 Ų74.844%0.44438%0.38SS..  trans-89.6114.6176.9176.8-87.9000109.9I27 N28H3-I27 CarbonylContact O-C 3.54Å; H3-I27 WeakPolarHBondContact O-CA 3.49Å; H3-N28 PolarHBondContact N-OD1 3.14Å; H3-N28 PolarHBondContact O-N 2.87Å
4V88.2Confident85.7Confident6 Ų673.9 Ų73.94%0.03638%0.377CS..EExtended strand (participates in β ladder)trans-99.8133.4176.3-171.90000110.1M2 I25 H26 L83 R84M2-V4 HydrophobicContact CE-CG2 3.47Å; M2-V4 VanDerWaalsContact CE-CG2 3.47Å; M2-V4 HydrophobicContact CG-CG2 4.31Å; V4-I25 HydrophobicContact CG1-CG2 3.82Å; V4-H26 WeakPolarHBondContact CA-O 3.18Å; V4-L83 HydrophobicContact CB-CB 4.47Å; V4-L83 HydrophobicContact CG1-CB 3.81Å; V4-L83 HydrophobicContact CG1-CD1 4.26Å; V4-R84 WeakPolarHBondContact O-CG 3.19Å; V4-R84 PolarHBondContact O-NE 3.32Å; V4-R84 VanDerWaalsContact O-NE 3.13Å
5S92.3Very high85.3Confident18 Ų1878.2 Ų78.213%0.12642%0.416CS..EExtended strand (participates in β ladder)trans-133.1154.1170.753.80000111.7H26S5-H26 PolarHBondContact N-O 3.35Å; S5-H26 PolarHBondContact O-N 2.85Å; S5-H26 WeakPolarHBondContact OG-CB 3.44Å
6V94.7Very high85.3Confident1 Ų178.6 Ų78.61%0.00643%0.427CS..  trans-122.976171.9-172.60000106.9V8 Y23 E24 I25 R76 Q80 L83V6-V8 VanDerWaalsContact C-N 3.3Å; V6-V8 PolarHBondContact O-N 3.4Å; V6-Y23 HydrophobicContact CG1-CD1 4.28Å; V6-E24 VanDerWaalsContact CA-O 3.29Å; V6-E24 WeakPolarHBondContact CA-O 3.46Å; V6-E24 WeakPolarHBondContact CG1-O 3.39Å; V6-I25 HydrophobicContact CG2-CG1 4.35Å; V6-R76 HydrophobicContact CB-CG 4.28Å; V6-R76 HydrophobicContact CG1-CG 3.73Å; V6-R76 VanDerWaalsContact O-CD 3.29Å; V6-R76 WeakPolarHBondContact O-CD 3.3Å; V6-R76 WeakPolarHBondContact O-CG 3.37Å; V6-R76 PolarHBondContact O-NH1 3.11Å; V6-Q80 HydrophobicContact CB-CB 3.99Å; V6-Q80 HydrophobicContact CG2-CB 3.96Å; V6-L83 HydrophobicContact CG2-CD1 3.88Å
7P93.2Very high85.2Confident53 Ų5376.9 Ų76.934%0.34443%0.432SS..  trans-65.9-34.9-167.624.8-34.1000112.4E24 H26P7-E24 WeakPolarHBondContact CD-O 3.36Å; P7-H26 VanDerWaalsContact CG-CD2 3.47Å; P7-H26 WeakPolarHBondContact CG-CD2 3.15Å
8V94Very high85.3Confident64 Ų6479.8 Ų79.839%0.38844%0.441SS..  trans-140.3159.3-172.5-61.60000112V6 E24V6-V8 VanDerWaalsContact C-N 3.3Å; V6-V8 PolarHBondContact O-N 3.4Å; V8-E24 HydrophobicContact CG2-CB 3.82Å; V8-E24 HydrophobicContact CG2-CG 3.82Å; V8-E24 VanDerWaalsContact CG2-OE2 3.26Å; V8-E24 WeakPolarHBondContact CG2-OE2 3.17Å; V8-E24 PolarHBondContact O-N 2.71Å; V8-E24 VanDerWaalsContact O-N 3.12Å
9Y94.2Very high85.4Confident47 Ų4782.4 Ų82.418%0.18445%0.454CS..EExtended strand (participates in β ladder)trans-122.7152.3160.167.6-91.9000108.5F11 T21 V22 E69 L72 A73 R76Y9-F11 HydrophobicContact CE2-CE2 4.49Å; Y9-F11 HydrophobicContact CE2-CZ 4.37Å; Y9-T21 HydrophobicContact CD2-CG2 3.84Å; Y9-T21 HydrophobicContact CG-CG2 4.3Å; Y9-V22 CarbonylContact C-O 3.57Å; Y9-V22 WeakPolarHBondContact CA-O 3.45Å; Y9-V22 WeakPolarHBondContact CB-O 3.41Å; Y9-E69 WeakPolarHBondContact OH-CG 3.44Å; Y9-E69 PolarHBondContact OH-O 3.26Å; Y9-L72 HydrophobicContact CD2-CB 4.31Å; Y9-L72 HydrophobicContact CD2-CD1 4.45Å; Y9-L72 HydrophobicContact CE1-CB 4.08Å; Y9-L72 HydrophobicContact CE2-CB 3.81Å; Y9-L72 HydrophobicContact CE2-CD1 3.86Å; Y9-L72 HydrophobicContact CE2-CG 4.48Å; Y9-A73 HydrophobicContact CE1-CB 4.23Å; Y9-R76 HydrophobicContact CD1-CB 4.16Å; Y9-R76 HydrophobicContact CD1-CG 4.45Å
10R91.8Very high85.6Confident123 Ų12382.1 Ų82.146%0.46445%0.446SS..EExtended strand (participates in β ladder)trans-140.3161.5177.161.5179.8174.3167.1-6.4110.9T21 V22 E24 S34R10-T21 WeakPolarHBondContact O-CA 3.29Å; R10-V22 HydrophobicContact CG-CG2 3.34Å; R10-V22 PolarHBondContact N-O 2.86Å; R10-V22 PolarHBondContact O-N 2.73Å; R10-E24 WeakPolarHBondContact CD-OE1 3.32Å; R10-E24 IonicContact CZ-OE1 3.17Å; R10-E24 IonicContact NE-OE1 3.03Å; R10-E24 PolarHBondContact NE-OE1 3.13Å; R10-E24 IonicContact NH1-OE1 3.73Å; R10-E24 IonicContact NH2-OE1 3.48Å; R10-E24 PolarHBondContact NH2-OE1 3.49Å; R10-S34 PolarHBondContact NH2-OG 3.4Å
11F90.8Very high85.9Confident129 Ų12979.5 Ų79.557%0.56643%0.433SS*.EExtended strand (participates in β ladder)trans-91135.3172.5-58.7-77.8000109.7Y9 Y20 L72Y9-F11 HydrophobicContact CE2-CE2 4.49Å; Y9-F11 HydrophobicContact CE2-CZ 4.37Å; F11-Y20 WeakPolarHBondContact CA-O 3.47Å; F11-L72 HydrophobicContact CE1-CD1 4Å; F11-L72 HydrophobicContact CZ-CD1 3.82Å
12A86.5Confident87.7Confident26 Ų2668.4 Ų68.422%0.21538%0.379CS..EExtended strand (participates in β ladder)trans-129.9155.5174.500000109L19 Y20 V22A12-L19 CarbonylContact O-C 3.58Å; A12-L19 WeakPolarHBondContact O-CA 3.29Å; A12-Y20 HydrophobicContact CB-CD2 4.45Å; A12-Y20 HydrophobicContact CB-CE1 4.07Å; A12-Y20 HydrophobicContact CB-CE2 3.92Å; A12-Y20 PolarHBondContact N-O 2.61Å; A12-Y20 VanDerWaalsContact O-CD1 3.28Å; A12-Y20 WeakPolarHBondContact O-CD1 3.44Å; A12-Y20 PolarHBondContact O-N 2.78Å; A12-V22 HydrophobicContact CB-CG1 4.38Å; A12-V22 HydrophobicContact CB-CG2 4.47Å
13S84.8Confident88.8Confident73 Ų7363.9 Ų63.951%0.5136%0.356SS..EExtended strand (participates in β ladder)trans-105.4143.6174.256.80000110.5Q18 Y20S13-Q18 WeakPolarHBondContact CA-O 3.45Å; S13-Y20 VanDerWaalsContact C-CE1 3.41Å
14D82.7Confident89.4Confident62 Ų6260.9 Ų60.933%0.33234%0.343SS..  trans-84-177.8170.768.419.3000111S16 G17 Q18 Y20D14-S16 VanDerWaalsContact CG-OG 3.31Å; D14-S16 PolarHBondContact O-N 3.33Å; D14-S16 VanDerWaalsContact O-N 3.17Å; D14-S16 VanDerWaalsContact OD1-CA 3.31Å; D14-S16 WeakPolarHBondContact OD1-CA 3.27Å; D14-S16 WeakPolarHBondContact OD1-CB 3.26Å; D14-S16 PolarHBondContact OD1-N 2.99Å; D14-S16 PolarHBondContact OD1-OG 3.24Å; D14-S16 PolarHBondContact OD2-OG 2.95Å; D14-G17 PolarHBondContact O-N 3.09Å; D14-G17 PolarHBondContact OD1-N 2.89Å; D14-G17 VanDerWaalsContact OD1-N 3.15Å; D14-Q18 PolarHBondContact N-O 2.72Å; D14-Q18 PolarHBondContact OD1-N 2.8Å; D14-Y20 HydrophobicContact CB-CD1 4.23Å; D14-Y20 HydrophobicContact CB-CE1 3.88Å
15S80.4Confident89.5Confident138 Ų13860.6 Ų60.697%0.96534%0.341SS*.THydrogen-bonded Turntrans-63.3-17.9178.7550000113.8G17S15-G17 VanDerWaalsContact C-N 3.35Å
16S84.9Confident89.2Confident84 Ų8461.4 Ų61.459%0.58734%0.342SS*.THydrogen-bonded Turntrans-91.10.3174.472.40000113D14 Q18D14-S16 VanDerWaalsContact CG-OG 3.31Å; D14-S16 PolarHBondContact O-N 3.33Å; D14-S16 VanDerWaalsContact O-N 3.17Å; D14-S16 VanDerWaalsContact OD1-CA 3.31Å; D14-S16 WeakPolarHBondContact OD1-CA 3.27Å; D14-S16 WeakPolarHBondContact OD1-CB 3.26Å; D14-S16 PolarHBondContact OD1-N 2.99Å; D14-S16 PolarHBondContact OD1-OG 3.24Å; D14-S16 PolarHBondContact OD2-OG 2.95Å; S16-Q18 VanDerWaalsContact C-N 3.27Å; S16-Q18 VanDerWaalsContact OG-CG 3.32Å; S16-Q18 WeakPolarHBondContact OG-CG 3.49Å
17G84Confident88.7Confident50 Ų5062.5 Ų62.552%0.51535%0.348SS..  trans80.82.6-175.800000114D14 S15 L19D14-G17 PolarHBondContact O-N 3.09Å; D14-G17 PolarHBondContact OD1-N 2.89Å; D14-G17 VanDerWaalsContact OD1-N 3.15Å; S15-G17 VanDerWaalsContact C-N 3.35Å; G17-L19 PolarHBondContact O-N 3.34Å
18Q87.2Confident88.2Confident129 Ų12965.1 Ų65.160%0.60336%0.359SS*.  trans-72.8127.7179.9-68.8-68.1-15.100110.4S13 D14 S16S13-Q18 WeakPolarHBondContact CA-O 3.45Å; D14-Q18 PolarHBondContact N-O 2.72Å; D14-Q18 PolarHBondContact OD1-N 2.8Å; S16-Q18 VanDerWaalsContact C-N 3.27Å; S16-Q18 VanDerWaalsContact OG-CG 3.32Å; S16-Q18 WeakPolarHBondContact OG-CG 3.49Å
19L87.3Confident87.5Confident129 Ų12964.7 Ų64.768%0.67537%0.368SS*.EExtended strand (participates in β ladder)trans-76.5135.6179.5-66.4174.8000111.1A12 G17A12-L19 CarbonylContact O-C 3.58Å; A12-L19 WeakPolarHBondContact O-CA 3.29Å; G17-L19 PolarHBondContact O-N 3.34Å
20Y89Confident86.6Confident77 Ų7765.4 Ų65.430%0.30238%0.384SS..EExtended strand (participates in β ladder)trans-139.4155.1173.564.2-87000111F11 A12 S13 D14 V22 R36F11-Y20 WeakPolarHBondContact CA-O 3.47Å; A12-Y20 HydrophobicContact CB-CD2 4.45Å; A12-Y20 HydrophobicContact CB-CE1 4.07Å; A12-Y20 HydrophobicContact CB-CE2 3.92Å; A12-Y20 PolarHBondContact N-O 2.61Å; A12-Y20 VanDerWaalsContact O-CD1 3.28Å; A12-Y20 WeakPolarHBondContact O-CD1 3.44Å; A12-Y20 PolarHBondContact O-N 2.78Å; S13-Y20 VanDerWaalsContact C-CE1 3.41Å; D14-Y20 HydrophobicContact CB-CD1 4.23Å; D14-Y20 HydrophobicContact CB-CE1 3.88Å; Y20-V22 HydrophobicContact CD2-CG1 3.61Å; Y20-V22 HydrophobicContact CE2-CG1 3.22Å; Y20-R36 HydrophobicContact CD2-CG 3.7Å; Y20-R36 HydrophobicContact CE2-CG 3.86Å
21T91Very high86Confident27 Ų2764.5 Ų64.517%0.16638%0.381CS..EExtended strand (participates in β ladder)trans-90133.9176.5-480000110.4Y9 R10 Y23 L72Y9-T21 HydrophobicContact CD2-CG2 3.84Å; Y9-T21 HydrophobicContact CG-CG2 4.3Å; R10-T21 WeakPolarHBondContact O-CA 3.29Å; T21-Y23 HydrophobicContact CG2-CE2 4.17Å; T21-L72 HydrophobicContact CG2-CD2 4.31Å
22V92.7Very high85.4Confident8 Ų859.3 Ų59.35%0.04836%0.358CS..EExtended strand (participates in β ladder)trans-117149.2168.8-62.10000110.6Y9 R10 A12 Y20 C35 R36Y9-V22 CarbonylContact C-O 3.57Å; Y9-V22 WeakPolarHBondContact CA-O 3.45Å; Y9-V22 WeakPolarHBondContact CB-O 3.41Å; R10-V22 HydrophobicContact CG-CG2 3.34Å; R10-V22 PolarHBondContact N-O 2.86Å; R10-V22 PolarHBondContact O-N 2.73Å; A12-V22 HydrophobicContact CB-CG1 4.38Å; A12-V22 HydrophobicContact CB-CG2 4.47Å; Y20-V22 HydrophobicContact CD2-CG1 3.61Å; Y20-V22 HydrophobicContact CE2-CG1 3.22Å; V22-C35 WeakPolarHBondContact CA-O 3.41Å; V22-R36 HydrophobicContact CG1-CG 4.27Å
23Y94.4Very high85.3Confident2 Ų258.1 Ų58.11%0.00835%0.348CS..EExtended strand (participates in β ladder)trans-111.6127.8177-59.3-92.5000107.9V6 T21 S34 C35 R75 R76 L79V6-Y23 HydrophobicContact CG1-CD1 4.28Å; T21-Y23 HydrophobicContact CG2-CE2 4.17Å; Y23-S34 WeakPolarHBondContact O-CA 3.49Å; Y23-C35 PolarHBondContact N-O 3.44Å; Y23-C35 PolarHBondContact O-N 3.37Å; Y23-R75 HydrophobicContact CE1-CG 4.38Å; Y23-R75 WeakPolarHBondContact OH-CD 3.29Å; Y23-R76 HydrophobicContact CD1-CB 4.01Å; Y23-R76 HydrophobicContact CD1-CG 4.24Å; Y23-R76 HydrophobicContact CE1-CB 3.94Å; Y23-L79 HydrophobicContact CD1-CD1 3.81Å; Y23-L79 HydrophobicContact CD2-CD1 3.92Å; Y23-L79 HydrophobicContact CE1-CD1 3.87Å; Y23-L79 HydrophobicContact CE2-CD1 4.03Å; Y23-L79 HydrophobicContact CG-CD1 3.84Å
24E92.3Very high85.5Confident33 Ų3355.9 Ų55.915%0.15433%0.333CS..EExtended strand (participates in β ladder)trans-85.8126.7176.1-62.9-167.5168.800109V6 P7 V8 R10 H26 Y31V6-E24 VanDerWaalsContact CA-O 3.29Å; V6-E24 WeakPolarHBondContact CA-O 3.46Å; V6-E24 WeakPolarHBondContact CG1-O 3.39Å; P7-E24 WeakPolarHBondContact CD-O 3.36Å; V8-E24 HydrophobicContact CG2-CB 3.82Å; V8-E24 HydrophobicContact CG2-CG 3.82Å; V8-E24 VanDerWaalsContact CG2-OE2 3.26Å; V8-E24 WeakPolarHBondContact CG2-OE2 3.17Å; V8-E24 PolarHBondContact O-N 2.71Å; V8-E24 VanDerWaalsContact O-N 3.12Å; R10-E24 WeakPolarHBondContact CD-OE1 3.32Å; R10-E24 IonicContact CZ-OE1 3.17Å; R10-E24 IonicContact NE-OE1 3.03Å; R10-E24 PolarHBondContact NE-OE1 3.13Å; R10-E24 IonicContact NH1-OE1 3.73Å; R10-E24 IonicContact NH2-OE1 3.48Å; R10-E24 PolarHBondContact NH2-OE1 3.49Å; E24-H26 IonicContact OE2-NE2 2.97Å; E24-Y31 HydrophobicContact CB-CE2 4.35Å; E24-Y31 HydrophobicContact CG-CE2 4.25Å
25I91.1Very high85.8Confident0 Ų053.2 Ų53.20%032%0.319CS..EExtended strand (participates in β ladder)trans-106.4126.4179.2-56.2170.2000107.7V4 V6 H32 C33 C35 L40 L83 F96V4-I25 HydrophobicContact CG1-CG2 3.82Å; V6-I25 HydrophobicContact CG2-CG1 4.35Å; I25-H32 WeakPolarHBondContact O-CA 3.31Å; I25-H32 VanDerWaalsContact O-CB 3.29Å; I25-H32 WeakPolarHBondContact O-CB 3.23Å; I25-H32 PolarHBondContact O-N 2.99Å; I25-C33 PolarHBondContact N-O 3.3Å; I25-C33 PolarHBondContact O-N 2.77Å; I25-C35 HydrophobicContact CD1-CB 4.36Å; I25-L40 HydrophobicContact CD1-CD1 4.49Å; I25-L40 HydrophobicContact CD1-CD2 4.06Å; I25-L83 HydrophobicContact CD1-CD1 3.87Å; I25-L83 HydrophobicContact CG1-CD1 4.13Å; I25-L83 HydrophobicContact CG2-CD1 4.28Å; I25-F96 HydrophobicContact CD1-CE1 4.38Å; I25-F96 HydrophobicContact CG2-CE1 3.95Å
26H86Confident86.4Confident34 Ų3452.4 Ų52.416%0.15730%0.295CS..EExtended strand (participates in β ladder)trans-113.1138.8177.4-74.3-133.1000109.8V4 S5 P7 E24 G29 A30 Y31V4-H26 WeakPolarHBondContact CA-O 3.18Å; S5-H26 PolarHBondContact N-O 3.35Å; S5-H26 PolarHBondContact O-N 2.85Å; S5-H26 WeakPolarHBondContact OG-CB 3.44Å; P7-H26 VanDerWaalsContact CG-CD2 3.47Å; P7-H26 WeakPolarHBondContact CG-CD2 3.15Å; E24-H26 IonicContact OE2-NE2 2.97Å; H26-G29 PolarHBondContact ND1-O 2.86Å; H26-G29 VanDerWaalsContact ND1-O 3.12Å; H26-A30 CarbonylContact C-O 3.43Å; H26-A30 WeakPolarHBondContact CA-O 3.13Å; H26-A30 WeakPolarHBondContact CB-O 3.47Å; H26-Y31 AromaticContact NE2-CD2 3.92Å
27I83.7Confident86.8Confident25 Ų2549.6 Ų49.613%0.12827%0.272CS..EExtended strand (participates in β ladder)trans-116.6125.4173.8-60.4178.3000108.1M2 H3 G29 A30 H32 F96M2-I27 HydrophobicContact CE-CD1 3.41Å; M2-I27 VanDerWaalsContact CE-CD1 3.41Å; M2-I27 HydrophobicContact CE-CG1 3.84Å; M2-I27 HydrophobicContact CE-CG2 4.2Å; M2-I27 HydrophobicContact CG-CG2 3.49Å; M2-I27 VanDerWaalsContact CG-CG2 3.49Å; M2-I27 HydrophobicContact SD-CD1 4.17Å; M2-I27 HydrophobicContact SD-CG2 4.06Å; H3-I27 CarbonylContact O-C 3.54Å; H3-I27 WeakPolarHBondContact O-CA 3.49Å; I27-G29 PolarHBondContact O-N 3.09Å; I27-G29 VanDerWaalsContact O-N 3.15Å; I27-A30 PolarHBondContact N-O 3.16Å; I27-A30 PolarHBondContact O-N 2.82Å; I27-H32 HydrophobicContact CB-CB 4.4Å; I27-H32 HydrophobicContact CD1-CB 3.99Å; I27-H32 WeakPolarHBondContact CD1-ND1 3.16Å; I27-H32 HydrophobicContact CG1-CB 3.85Å; I27-F96 HydrophobicContact CD1-CD1 4.41Å
28N82.8Confident87.2Confident107 Ų10750 Ų5057%0.57227%0.266SS*.THydrogen-bonded Turntrans51.236.9-178-57.2-29.7000112.6H3 A30H3-N28 PolarHBondContact N-OD1 3.14Å; H3-N28 PolarHBondContact O-N 2.87Å; N28-A30 VanDerWaalsContact C-N 3.27Å; N28-A30 PolarHBondContact O-N 3.13Å
29G79.9Confident87.4Confident55 Ų5545.8 Ų45.857%0.56725%0.25SC*.THydrogen-bonded Turntrans85.1-19.7-178.900000115.1H26 I27H26-G29 PolarHBondContact ND1-O 2.86Å; H26-G29 VanDerWaalsContact ND1-O 3.12Å; I27-G29 PolarHBondContact O-N 3.09Å; I27-G29 VanDerWaalsContact O-N 3.15Å
30A76.1Confident87.6Confident63 Ų6339.8 Ų39.852%0.52122%0.218SC..EExtended strand (participates in β ladder)trans-84.1141.1178.400000111.6H26 I27 N28 H32H26-A30 CarbonylContact C-O 3.43Å; H26-A30 WeakPolarHBondContact CA-O 3.13Å; H26-A30 WeakPolarHBondContact CB-O 3.47Å; I27-A30 PolarHBondContact N-O 3.16Å; I27-A30 PolarHBondContact O-N 2.82Å; N28-A30 VanDerWaalsContact C-N 3.27Å; N28-A30 PolarHBondContact O-N 3.13Å; A30-H32 PolarHBondContact O-N 3.14Å
31Y79.2Confident87.8Confident103 Ų10337.8 Ų37.840%0.40421%0.212SC..EExtended strand (participates in β ladder)trans-57131.3170.4172.6-91.3000110E24 H26 S34E24-Y31 HydrophobicContact CB-CE2 4.35Å; E24-Y31 HydrophobicContact CG-CE2 4.25Å; H26-Y31 AromaticContact NE2-CD2 3.92Å; Y31-S34 PolarHBondContact OH-N 3.37Å; Y31-S34 VanDerWaalsContact OH-N 3.13Å; Y31-S34 PolarHBondContact OH-OG 3.31Å
32H77Confident87.8Confident21 Ų2145 Ų4510%0.09724%0.237CC..EExtended strand (participates in β ladder)trans-114-54.6-179.7-171.573.9000112I25 I27 A30 F96 Q100I25-H32 WeakPolarHBondContact O-CA 3.31Å; I25-H32 VanDerWaalsContact O-CB 3.29Å; I25-H32 WeakPolarHBondContact O-CB 3.23Å; I25-H32 PolarHBondContact O-N 2.99Å; I27-H32 HydrophobicContact CB-CB 4.4Å; I27-H32 HydrophobicContact CD1-CB 3.99Å; I27-H32 WeakPolarHBondContact CD1-ND1 3.16Å; I27-H32 HydrophobicContact CG1-CB 3.85Å; A30-H32 PolarHBondContact O-N 3.14Å; H32-F96 AromaticContact CD2-CD1 3.71Å; H32-F96 AromaticContact NE2-CD1 3.85Å; H32-F96 PolarHBondContact NE2-O 3.13Å; H32-Q100 VanDerWaalsContact CE1-CD 3.48Å
33C84.8Confident87.7Confident0 Ų045 Ų450%024%0.236CC..EExtended strand (participates in β ladder)trans-158.8166.3177.565.10000112.8I25 A99 S103I25-C33 PolarHBondContact N-O 3.3Å; I25-C33 PolarHBondContact O-N 2.77Å; C33-A99 HydrophobicContact CB-CB 3.88Å; C33-A99 WeakPolarHBondContact CB-O 3.46Å; C33-S103 WeakPolarHBondContact CA-OG 3.44Å; C33-S103 VanDerWaalsContact CB-OG 3.31Å; C33-S103 WeakPolarHBondContact CB-OG 3.31Å
34S89.4Confident87.6Confident27 Ų2746.4 Ų46.419%0.18924%0.243CC..EExtended strand (participates in β ladder)trans-114.2126.5169-64.80000109.2R10 Y23 Y31 S103R10-S34 PolarHBondContact NH2-OG 3.4Å; Y23-S34 WeakPolarHBondContact O-CA 3.49Å; Y31-S34 PolarHBondContact OH-N 3.37Å; Y31-S34 VanDerWaalsContact OH-N 3.13Å; Y31-S34 PolarHBondContact OH-OG 3.31Å; S34-S103 PolarHBondContact N-OG 2.92Å
35C89.8Confident87.5Confident6 Ų649.2 Ų49.24%0.04126%0.256CS..EExtended strand (participates in β ladder)trans-131.6150.2-176.8-75.40000112.4V22 Y23 I25 L40V22-C35 WeakPolarHBondContact CA-O 3.41Å; Y23-C35 PolarHBondContact N-O 3.44Å; Y23-C35 PolarHBondContact O-N 3.37Å; I25-C35 HydrophobicContact CD1-CB 4.36Å; C35-L40 HydrophobicContact CB-CG 4.33Å
36R92.4Very high87.4Confident120 Ų12052.3 Ų52.345%0.45327%0.272SS..EExtended strand (participates in β ladder)trans-78.7153.2169.1-61.5-170.8-61.5177.2-2109.8Y20 V22 S38 T39 L40Y20-R36 HydrophobicContact CD2-CG 3.7Å; Y20-R36 HydrophobicContact CE2-CG 3.86Å; V22-R36 HydrophobicContact CG1-CG 4.27Å; R36-S38 PolarHBondContact O-N 3.11Å; R36-T39 WeakPolarHBondContact O-CB 3.11Å; R36-T39 PolarHBondContact O-N 3.24Å; R36-L40 PolarHBondContact O-N 3.11Å
37Y92.9Very high87.5Confident26 Ų2651 Ų5110%0.10227%0.266CS..Hα-helixtrans-52-41.7169.8169-91.2000112.1T39 L40 L41 F58 P59 P60 K61 R75 L79Y37-T39 VanDerWaalsContact C-N 3.27Å; Y37-T39 PolarHBondContact O-N 2.92Å; Y37-L40 PolarHBondContact O-N 2.9Å; Y37-L41 HydrophobicContact CE1-CB 4.3Å; Y37-L41 HydrophobicContact CE1-CD2 3.99Å; Y37-L41 WeakPolarHBondContact O-CB 2.98Å; Y37-L41 PolarHBondContact O-N 2.91Å; Y37-F58 HydrophobicContact CD2-CE1 4.27Å; Y37-F58 HydrophobicContact CE2-CD1 4.38Å; Y37-F58 AromaticContact CE2-CE1 3.54Å; Y37-F58 HydrophobicContact CE2-CE1 3.54Å; Y37-F58 HydrophobicContact CE2-CZ 4.25Å; Y37-F58 AromaticContact CZ-CE1 3.78Å; Y37-P59 WeakPolarHBondContact CE2-O 3.35Å; Y37-P59 PolarHBondContact OH-O 3.49Å; Y37-P60 VanDerWaalsContact OH-C 3.28Å; Y37-K61 HydrophobicContact CE1-CB 4.32Å; Y37-K61 HydrophobicContact CE1-CG 4.36Å; Y37-K61 WeakPolarHBondContact OH-CA 3.39Å; Y37-K61 PolarHBondContact OH-N 2.64Å; Y37-K61 VanDerWaalsContact OH-N 3.14Å; Y37-R75 HydrophobicContact CD2-CG 4.23Å; Y37-L79 HydrophobicContact CD2-CD1 4.49Å; Y37-L79 HydrophobicContact CD2-CD2 4.49Å
38S91.6Very high87.8Confident57 Ų5751.2 Ų51.240%0.39927%0.272SS..Hα-helixtrans-62.7-32.3178.451.70000113.4R36 R42R36-S38 PolarHBondContact O-N 3.11Å; S38-R42 PolarHBondContact O-N 3.13Å; S38-R42 VanDerWaalsContact O-N 3.1Å
39T91.6Very high88.1Confident42 Ų4255.5 Ų55.526%0.25828%0.28SS..Hα-helixtrans-67.4-45.1175.8-54.90000110.6R36 Y37 R42 L43 F95R36-T39 WeakPolarHBondContact O-CB 3.11Å; R36-T39 PolarHBondContact O-N 3.24Å; Y37-T39 VanDerWaalsContact C-N 3.27Å; Y37-T39 PolarHBondContact O-N 2.92Å; T39-R42 PolarHBondContact O-N 3.05Å; T39-L43 PolarHBondContact O-N 2.68Å; T39-F95 HydrophobicContact CG2-CE2 3.7Å; T39-F95 HydrophobicContact CG2-CZ 3.84Å
40L92.6Very high88.4Confident3 Ų358.3 Ų58.32%0.01628%0.281CS..Hα-helixtrans-68.5-35.7177.2-65.9173.7000112.4I25 C35 R36 Y37 L43 H44 F58 L79 L83 F95I25-L40 HydrophobicContact CD1-CD1 4.49Å; I25-L40 HydrophobicContact CD1-CD2 4.06Å; C35-L40 HydrophobicContact CB-CG 4.33Å; R36-L40 PolarHBondContact O-N 3.11Å; Y37-L40 PolarHBondContact O-N 2.9Å; L40-L43 WeakPolarHBondContact O-CB 3.02Å; L40-L43 PolarHBondContact O-N 3.34Å; L40-H44 PolarHBondContact O-N 2.8Å; L40-F58 HydrophobicContact CB-CE2 4.19Å; L40-F58 HydrophobicContact CB-CZ 3.82Å; L40-L79 HydrophobicContact CB-CD2 4.37Å; L40-L79 HydrophobicContact CD1-CD1 3.99Å; L40-L79 HydrophobicContact CD1-CD2 3.87Å; L40-L79 HydrophobicContact CD1-CG 4.41Å; L40-L83 HydrophobicContact CD2-CD2 4.39Å; L40-F95 HydrophobicContact CD2-CE1 3.99Å; L40-F95 HydrophobicContact CD2-CZ 3.97Å
41L93.1Very high88.9Confident35 Ų3556.9 Ų56.918%0.18326%0.264CS..Hα-helixtrans-62-43.7174.2179.663.4000111.3Y37 L43 H44 E45 F58Y37-L41 HydrophobicContact CE1-CB 4.3Å; Y37-L41 HydrophobicContact CE1-CD2 3.99Å; Y37-L41 WeakPolarHBondContact O-CB 2.98Å; Y37-L41 PolarHBondContact O-N 2.91Å; L41-L43 VanDerWaalsContact C-N 3.3Å; L41-L43 PolarHBondContact O-N 3.48Å; L41-H44 WeakPolarHBondContact O-CB 3.02Å; L41-H44 PolarHBondContact O-N 2.91Å; L41-H44 VanDerWaalsContact O-N 3.16Å; L41-E45 WeakPolarHBondContact O-CG 3.5Å; L41-E45 PolarHBondContact O-N 3.03Å; L41-F58 HydrophobicContact CB-CE1 3.79Å; L41-F58 HydrophobicContact CB-CZ 4.21Å; L41-F58 HydrophobicContact CD1-CD1 3.58Å; L41-F58 HydrophobicContact CD1-CE1 3.65Å; L41-F58 HydrophobicContact CG-CE1 4.33Å
42R91.4Very high89.3Confident178 Ų17856.4 Ų56.467%0.67227%0.274SS*.Hα-helixtrans-62.2-39176-171.7-178.2-179-155.21.1111.9S38 T39 E45 L46S38-R42 PolarHBondContact O-N 3.13Å; S38-R42 VanDerWaalsContact O-N 3.1Å; T39-R42 PolarHBondContact O-N 3.05Å; R42-E45 PolarHBondContact O-N 2.58Å; R42-L46 WeakPolarHBondContact O-CG 3.44Å; R42-L46 PolarHBondContact O-N 3.2Å; R42-L46 VanDerWaalsContact O-N 3.13Å
43L89.8Confident89.7Confident7 Ų764.2 Ų64.24%0.03731%0.31CS..Hα-helixtrans-60.8-47.7173173.465.5000110.9T39 L40 L41 E45 L46 I47 L91 F95T39-L43 PolarHBondContact O-N 2.68Å; L40-L43 WeakPolarHBondContact O-CB 3.02Å; L40-L43 PolarHBondContact O-N 3.34Å; L41-L43 VanDerWaalsContact C-N 3.3Å; L41-L43 PolarHBondContact O-N 3.48Å; L43-E45 PolarHBondContact O-N 2.88Å; L43-L46 PolarHBondContact O-N 3.34Å; L43-I47 HydrophobicContact CD1-CD1 4.04Å; L43-I47 HydrophobicContact CD1-CG1 4.3Å; L43-I47 HydrophobicContact CD2-CD1 4.49Å; L43-I47 HydrophobicContact CG-CD1 3.87Å; L43-I47 WeakPolarHBondContact O-CG1 3.43Å; L43-I47 PolarHBondContact O-N 2.79Å; L43-L91 HydrophobicContact CD1-CD2 4.39Å; L43-L91 HydrophobicContact CD1-CG 4.4Å; L43-F95 HydrophobicContact CB-CD2 4.16Å; L43-F95 HydrophobicContact CB-CE2 4.19Å; L43-F95 HydrophobicContact CD1-CB 3.8Å; L43-F95 HydrophobicContact CD1-CD2 4.08Å; L43-F95 HydrophobicContact CD1-CG 3.9Å; L43-F95 HydrophobicContact CD2-CB 4.28Å; L43-F95 HydrophobicContact CD2-CD1 3.58Å; L43-F95 HydrophobicContact CD2-CD2 4.14Å; L43-F95 HydrophobicContact CD2-CE1 3.88Å; L43-F95 HydrophobicContact CD2-CE2 4.4Å; L43-F95 HydrophobicContact CD2-CG 3.72Å; L43-F95 HydrophobicContact CD2-CZ 4.28Å; L43-F95 HydrophobicContact CG-CD2 4.35Å; L43-F95 HydrophobicContact CG-CG 4.26Å
44H91.4Very high89.7Confident32 Ų3272.4 Ų72.415%0.14834%0.341CS..Hα-helixtrans-56.5-47.7176.4168.869.8000112.1L40 L41 L46 I47 A48 V55 F58 Y82L40-H44 PolarHBondContact O-N 2.8Å; L41-H44 WeakPolarHBondContact O-CB 3.02Å; L41-H44 PolarHBondContact O-N 2.91Å; L41-H44 VanDerWaalsContact O-N 3.16Å; H44-L46 VanDerWaalsContact C-N 3.26Å; H44-L46 PolarHBondContact O-N 2.78Å; H44-I47 PolarHBondContact O-N 2.93Å; H44-I47 VanDerWaalsContact O-N 3.11Å; H44-A48 WeakPolarHBondContact O-CB 3.41Å; H44-A48 PolarHBondContact O-N 2.81Å; H44-V55 WeakPolarHBondContact ND1-CG2 3.49Å; H44-F58 HydrophobicContact CB-CB 4.3Å; H44-F58 HydrophobicContact CB-CD1 4.49Å; H44-F58 HydrophobicContact CB-CD2 3.52Å; H44-F58 HydrophobicContact CB-CE2 3.9Å; H44-F58 HydrophobicContact CB-CG 3.85Å; H44-F58 VanDerWaalsContact CD2-CB 3.5Å; H44-F58 WeakPolarHBondContact CD2-CB 2.92Å; H44-F58 AromaticContact CD2-CG 3.82Å; H44-F58 AromaticContact CG-CD2 3.69Å; H44-F58 AromaticContact CG-CG 3.62Å; H44-Y82 WeakPolarHBondContact CA-OH 3.33Å; H44-Y82 WeakPolarHBondContact CB-OH 3.5Å; H44-Y82 AromaticContact ND1-CE2 3.58Å; H44-Y82 AromaticContact ND1-CZ 3.64Å; H44-Y82 PolarHBondContact ND1-OH 3.25Å
45E91.9Very high89.5Confident92 Ų9272.6 Ų72.643%0.4334%0.341SS..Hα-helixtrans-58.4-37177.2-71.1169.8176.400112.4L41 R42 L43 R49L41-E45 WeakPolarHBondContact O-CG 3.5Å; L41-E45 PolarHBondContact O-N 3.03Å; R42-E45 PolarHBondContact O-N 2.58Å; L43-E45 PolarHBondContact O-N 2.88Å; E45-R49 VanDerWaalsContact O-CG 3.3Å; E45-R49 WeakPolarHBondContact O-CG 3.49Å; E45-R49 PolarHBondContact O-N 3.07Å; E45-R49 VanDerWaalsContact O-N 3.15Å
46L89.3Confident89.4Confident65 Ų6573.9 Ų73.934%0.3435%0.35SS..Hα-helixtrans-71-38.7175.8-68.2173.3000112.5R42 L43 H44 R49 I50 L91R42-L46 WeakPolarHBondContact O-CG 3.44Å; R42-L46 PolarHBondContact O-N 3.2Å; R42-L46 VanDerWaalsContact O-N 3.13Å; L43-L46 PolarHBondContact O-N 3.34Å; H44-L46 VanDerWaalsContact C-N 3.26Å; H44-L46 PolarHBondContact O-N 2.78Å; L46-R49 PolarHBondContact O-N 3.18Å; L46-I50 WeakPolarHBondContact O-CG1 3.36Å; L46-I50 PolarHBondContact O-N 2.85Å; L46-L91 HydrophobicContact CB-CD2 3.59Å; L46-L91 HydrophobicContact CD1-CD2 4.42Å
47I88.1Confident89.3Confident7 Ų776.7 Ų76.74%0.03637%0.368CS..Hα-helixtrans-66.1-45.7175.8-63.7164.1000109.9L43 H44 R49 I50 D51 V55 Y89 L91 V92L43-I47 HydrophobicContact CD1-CD1 4.04Å; L43-I47 HydrophobicContact CD1-CG1 4.3Å; L43-I47 HydrophobicContact CD2-CD1 4.49Å; L43-I47 HydrophobicContact CG-CD1 3.87Å; L43-I47 WeakPolarHBondContact O-CG1 3.43Å; L43-I47 PolarHBondContact O-N 2.79Å; H44-I47 PolarHBondContact O-N 2.93Å; H44-I47 VanDerWaalsContact O-N 3.11Å; I47-R49 PolarHBondContact O-N 3.36Å; I47-I50 PolarHBondContact O-N 2.69Å; I47-D51 PolarHBondContact O-N 3.27Å; I47-V55 HydrophobicContact CB-CG2 4.34Å; I47-V55 HydrophobicContact CG2-CB 4.26Å; I47-V55 HydrophobicContact CG2-CG2 3.83Å; I47-Y89 HydrophobicContact CG2-CD2 3.95Å; I47-Y89 HydrophobicContact CG2-CE2 3.69Å; I47-L91 HydrophobicContact CG1-CD2 4.23Å; I47-V92 HydrophobicContact CD1-CG2 3.51Å; I47-V92 HydrophobicContact CG1-CG2 4.2Å
48A89.7Confident89.3Confident29 Ų2976.4 Ų76.424%0.2437%0.367CS..Hα-helixtrans-61.2-28.2177.900000112.8H44 P52 V55H44-A48 WeakPolarHBondContact O-CB 3.41Å; H44-A48 PolarHBondContact O-N 2.81Å; A48-P52 WeakPolarHBondContact O-CA 3.48Å; A48-P52 WeakPolarHBondContact O-CB 3.37Å; A48-P52 WeakPolarHBondContact O-CD 3.49Å; A48-V55 HydrophobicContact CB-CG1 4Å; A48-V55 HydrophobicContact CB-CG2 4.38Å
49R88.3Confident89.3Confident197 Ų19774.2 Ų74.274%0.74335%0.351SS*.Hα-helixtrans-70.9-31.9171.5-76.2175.8-167.8-166.63113.5E45 L46 I47E45-R49 VanDerWaalsContact O-CG 3.3Å; E45-R49 WeakPolarHBondContact O-CG 3.49Å; E45-R49 PolarHBondContact O-N 3.07Å; E45-R49 VanDerWaalsContact O-N 3.15Å; L46-R49 PolarHBondContact O-N 3.18Å; I47-R49 PolarHBondContact O-N 3.36Å
50I86.2Confident89.1Confident115 Ų11576.4 Ų76.459%0.5937%0.367SS*.Hα-helixtrans-88.1-43-175.6-65.2169000110.7L46 I47 L91L46-I50 WeakPolarHBondContact O-CG1 3.36Å; L46-I50 PolarHBondContact O-N 2.85Å; I47-I50 PolarHBondContact O-N 2.69Å; I50-L91 HydrophobicContact CD1-CD2 3.88Å
51D86.8Confident88.7Confident32 Ų3284.5 Ų84.517%0.17140%0.402CS..  trans-140.275.1-175.7-166.2-13.9000110.1I47 E53 R54 V55 Y89I47-D51 PolarHBondContact O-N 3.27Å; D51-E53 VanDerWaalsContact C-N 3.26Å; D51-E53 PolarHBondContact O-N 3.25Å; D51-R54 WeakPolarHBondContact OD1-CB 3.48Å; D51-R54 WeakPolarHBondContact OD1-CG 3.47Å; D51-R54 PolarHBondContact OD1-N 2.99Å; D51-R54 VanDerWaalsContact OD2-CD 3.22Å; D51-R54 WeakPolarHBondContact OD2-CD 3.33Å; D51-V55 PolarHBondContact O-N 2.91Å; D51-Y89 HydrophobicContact CB-CE1 4Å; D51-Y89 PolarHBondContact OD2-OH 3.46Å; D51-Y89 VanDerWaalsContact OD2-OH 3.12Å
52P86.7Confident88Confident93 Ų9386.5 Ų86.560%0.60441%0.409SS*.THydrogen-bonded Turntrans-65.8-26.2-177.724.6-33.1000113.2A48A48-P52 WeakPolarHBondContact O-CA 3.48Å; A48-P52 WeakPolarHBondContact O-CB 3.37Å; A48-P52 WeakPolarHBondContact O-CD 3.49Å
53E86.3Confident87.3Confident186 Ų18683.9 Ų83.987%0.86941%0.407SS*.THydrogen-bonded Turntrans-78.6-28.2-176.9-66.3-171.8168.100112.9D51D51-E53 VanDerWaalsContact C-N 3.26Å; D51-E53 PolarHBondContact O-N 3.25Å
54R84.6Confident86.3Confident172 Ų17292.5 Ų92.565%0.64944%0.444SS*.THydrogen-bonded Turntrans-109.4-0.8-174.8-61.9175.2161.8-176.92.3114.2D51D51-R54 WeakPolarHBondContact OD1-CB 3.48Å; D51-R54 WeakPolarHBondContact OD1-CG 3.47Å; D51-R54 PolarHBondContact OD1-N 2.99Å; D51-R54 VanDerWaalsContact OD2-CD 3.22Å; D51-R54 WeakPolarHBondContact OD2-CD 3.33Å
55V86.2Confident85Confident31 Ų3195.3 Ų95.319%0.18847%0.473CS..PPolyproline II helixtrans-72.2126.6177.870.60000109.9H44 I47 A48 D51H44-V55 WeakPolarHBondContact ND1-CG2 3.49Å; I47-V55 HydrophobicContact CB-CG2 4.34Å; I47-V55 HydrophobicContact CG2-CB 4.26Å; I47-V55 HydrophobicContact CG2-CG2 3.83Å; A48-V55 HydrophobicContact CB-CG1 4Å; A48-V55 HydrophobicContact CB-CG2 4.38Å; D51-V55 PolarHBondContact O-N 2.91Å
56P87.4Confident83.8Confident33 Ų3398.1 Ų98.121%0.21448%0.484CS..PPolyproline II helixtrans-70.5160.2175.326-29.2000111.1F58 Y82 V85P56-F58 PolarHBondContact O-N 3.27Å; P56-Y82 HydrophobicContact CB-CD2 4.34Å; P56-Y82 HydrophobicContact CB-CE2 4.48Å; P56-Y82 HydrophobicContact CG-CD2 3.76Å; P56-Y82 HydrophobicContact CG-CE2 3.66Å; P56-V85 HydrophobicContact CB-CG1 4.19Å; P56-V85 HydrophobicContact CG-CB 4.5Å; P56-V85 HydrophobicContact CG-CG1 4.22Å
57E89.4Confident83.1Confident179 Ų17998 Ų9884%0.83648%0.483SS*.PPolyproline II helixtrans-60.2134.2175.6-169.5178.6176.500110.8Y82E57-Y82 WeakPolarHBondContact O-CD2 3.47Å
58F93Very high82.9Confident19 Ų19102.1 Ų102.18%0.08351%0.505CS..PPolyproline II helixtrans-99.7140.3-179.7-167.7-97.5000111.2Y37 L40 L41 H44 P56 L79 Y82Y37-F58 HydrophobicContact CD2-CE1 4.27Å; Y37-F58 HydrophobicContact CE2-CD1 4.38Å; Y37-F58 AromaticContact CE2-CE1 3.54Å; Y37-F58 HydrophobicContact CE2-CE1 3.54Å; Y37-F58 HydrophobicContact CE2-CZ 4.25Å; Y37-F58 AromaticContact CZ-CE1 3.78Å; L40-F58 HydrophobicContact CB-CE2 4.19Å; L40-F58 HydrophobicContact CB-CZ 3.82Å; L41-F58 HydrophobicContact CB-CE1 3.79Å; L41-F58 HydrophobicContact CB-CZ 4.21Å; L41-F58 HydrophobicContact CD1-CD1 3.58Å; L41-F58 HydrophobicContact CD1-CE1 3.65Å; L41-F58 HydrophobicContact CG-CE1 4.33Å; H44-F58 HydrophobicContact CB-CB 4.3Å; H44-F58 HydrophobicContact CB-CD1 4.49Å; H44-F58 HydrophobicContact CB-CD2 3.52Å; H44-F58 HydrophobicContact CB-CE2 3.9Å; H44-F58 HydrophobicContact CB-CG 3.85Å; H44-F58 VanDerWaalsContact CD2-CB 3.5Å; H44-F58 WeakPolarHBondContact CD2-CB 2.92Å; H44-F58 AromaticContact CD2-CG 3.82Å; H44-F58 AromaticContact CG-CD2 3.69Å; H44-F58 AromaticContact CG-CG 3.62Å; P56-F58 PolarHBondContact O-N 3.27Å; F58-L79 HydrophobicContact CE1-CD2 4.43Å; F58-L79 HydrophobicContact CE2-CD2 3.85Å; F58-L79 HydrophobicContact CZ-CD2 3.62Å; F58-Y82 HydrophobicContact CB-CD2 4.43Å; F58-Y82 HydrophobicContact CB-CE2 4.25Å; F58-Y82 AromaticContact CD2-CD1 3.88Å; F58-Y82 HydrophobicContact CD2-CD1 3.88Å; F58-Y82 AromaticContact CD2-CD2 3.74Å; F58-Y82 HydrophobicContact CD2-CD2 3.74Å; F58-Y82 AromaticContact CD2-CE1 3.78Å; F58-Y82 HydrophobicContact CD2-CE1 3.78Å; F58-Y82 AromaticContact CD2-CE2 3.63Å; F58-Y82 HydrophobicContact CD2-CE2 3.63Å; F58-Y82 AromaticContact CD2-CG 3.88Å; F58-Y82 HydrophobicContact CD2-CG 3.88Å; F58-Y82 AromaticContact CD2-CZ 3.67Å; F58-Y82 AromaticContact CE2-CD1 3.93Å; F58-Y82 HydrophobicContact CE2-CD1 3.93Å; F58-Y82 AromaticContact CE2-CE1 3.9Å; F58-Y82 HydrophobicContact CE2-CE1 3.9Å; F58-Y82 HydrophobicContact CE2-CG 4.29Å; F58-Y82 HydrophobicContact CG-CE2 4.44Å
59P91.7Very high82.7Confident11 Ų11108 Ų1087%0.07153%0.528CS..PPolyproline II helixtrans-55.5131-178.9-25.134.5000111.4Y37 A78 L79Y37-P59 WeakPolarHBondContact CE2-O 3.35Å; Y37-P59 PolarHBondContact OH-O 3.49Å; P59-A78 HydrophobicContact CB-CB 4.04Å; P59-A78 HydrophobicContact CG-CB 3.56Å; P59-L79 HydrophobicContact CG-CD2 3.96Å; P59-L79 HydrophobicContact CG-CG 4.14Å
60P87.9Confident82.7Confident89 Ų89107.5 Ų107.558%0.57853%0.526SS*.PPolyproline II helixtrans-72.8154.6-169.126.6-35.1000113.9Y37 K62 R75Y37-P60 VanDerWaalsContact OH-C 3.28Å; P60-K62 PolarHBondContact O-N 2.93Å; P60-R75 PolarHBondContact O-NH2 3.34Å
61K84.7Confident82.8Confident173 Ų173102.3 Ų102.375%0.75250%0.5SS*.  trans-74.494.8174.6-171.3-179.3178.3-1770110.1Y37Y37-K61 HydrophobicContact CE1-CB 4.32Å; Y37-K61 HydrophobicContact CE1-CG 4.36Å; Y37-K61 WeakPolarHBondContact OH-CA 3.39Å; Y37-K61 PolarHBondContact OH-N 2.64Å; Y37-K61 VanDerWaalsContact OH-N 3.14Å
62K78.5Confident83Confident77 Ų77101.1 Ų101.134%0.33549%0.493SS..  trans-70.1145170.7-59.9-177.3177.7179.30111.3P60 L67 E74P60-K62 PolarHBondContact O-N 2.93Å; K62-L67 HydrophobicContact CB-CD2 3.97Å; K62-E74 IonicContact NZ-OE2 2.97Å; K62-E74 PolarHBondContact NZ-OE2 3.46Å
63I75Confident83.3Confident123 Ų12398.5 Ų98.563%0.63148%0.479SS*.  trans-65.3134.6174.8-62.2166.9000109A65 F66I63-A65 HydrophobicContact CG2-CB 4.4Å; I63-A65 PolarHBondContact O-N 3.03Å; I63-A65 VanDerWaalsContact O-N 3.1Å; I63-F66 HydrophobicContact CB-CD2 3.94Å; I63-F66 HydrophobicContact CB-CE2 4.47Å; I63-F66 HydrophobicContact CG2-CD2 4.08Å; I63-F66 HydrophobicContact CG2-CE2 4.34Å; I63-F66 PolarHBondContact O-N 3.5Å
64K69.6Low83.6Confident187 Ų18794.1 Ų94.181%0.81346%0.459SS*.G310 helixtrans-53.2-36.2-172.6-72.4-173.4177.4-1760113.9F66 L67K64-F66 PolarHBondContact O-N 2.97Å; K64-L67 PolarHBondContact O-N 3.24Å
65A63.9Low84Confident91 Ų9186.8 Ų86.875%0.75243%0.431SS*.G310 helixtrans-62.4-19.8179.900000114.1I63I63-A65 HydrophobicContact CG2-CB 4.4Å; I63-A65 PolarHBondContact O-N 3.03Å; I63-A65 VanDerWaalsContact O-N 3.1Å
66F66.4Low84.4Confident152 Ų15287.8 Ų87.867%0.66743%0.432SS*.G310 helixtrans-106.811.5-177.8-61.5-85.6000113I63 K64 N68I63-F66 HydrophobicContact CB-CD2 3.94Å; I63-F66 HydrophobicContact CB-CE2 4.47Å; I63-F66 HydrophobicContact CG2-CD2 4.08Å; I63-F66 HydrophobicContact CG2-CE2 4.34Å; I63-F66 PolarHBondContact O-N 3.5Å; K64-F66 PolarHBondContact O-N 2.97Å; F66-N68 PolarHBondContact O-N 2.97Å; F66-N68 VanDerWaalsContact O-N 3.17Å
67L74.4Confident84.8Confident61 Ų6191.2 Ų91.232%0.31945%0.445SS..  trans-82.492.4176-66.6176000109.9K62 K64 S71 L72K62-L67 HydrophobicContact CB-CD2 3.97Å; K64-L67 PolarHBondContact O-N 3.24Å; L67-S71 WeakPolarHBondContact CA-OG 3.17Å; L67-L72 HydrophobicContact CD2-CD2 4.37Å
68N84.2Confident85Confident95 Ų9584.7 Ų84.751%0.50842%0.421SS..  trans-95.6169.8165.965.818.2000111.1F66 R70 S71 L72F66-N68 PolarHBondContact O-N 2.97Å; F66-N68 VanDerWaalsContact O-N 3.17Å; N68-R70 VanDerWaalsContact C-N 3.27Å; N68-R70 PolarHBondContact O-N 3.39Å; N68-R70 PolarHBondContact OD1-N 2.94Å; N68-S71 PolarHBondContact N-OG 2.8Å; N68-S71 PolarHBondContact O-N 2.9Å; N68-S71 VanDerWaalsContact O-N 3.09Å; N68-S71 PolarHBondContact O-OG 3.47Å; N68-S71 VanDerWaalsContact OD1-CB 3.22Å; N68-S71 WeakPolarHBondContact OD1-CB 3.47Å; N68-S71 PolarHBondContact OD1-N 2.77Å; N68-S71 PolarHBondContact OD1-OG 3.03Å; N68-L72 PolarHBondContact O-N 2.87Å; N68-L72 VanDerWaalsContact O-N 3.09Å
69E85.1Confident85.1Confident152 Ų15283.8 Ų83.871%0.7142%0.418SS*.Hα-helixtrans-55.7-40.1-179.3-162.8178.3175.700112.9Y9 S71 L72 A73Y9-E69 WeakPolarHBondContact OH-CG 3.44Å; Y9-E69 PolarHBondContact OH-O 3.26Å; E69-S71 PolarHBondContact O-N 3.1Å; E69-L72 PolarHBondContact O-N 2.95Å; E69-A73 PolarHBondContact O-N 2.83Å
70R88.2Confident85.2Confident187 Ų18784.4 Ų84.471%0.70642%0.419SS*.Hα-helixtrans-60.1-46.8175.7-173.3-178.1-67.4177.6-1.3111.7N68 L72 A73 E74N68-R70 VanDerWaalsContact C-N 3.27Å; N68-R70 PolarHBondContact O-N 3.39Å; N68-R70 PolarHBondContact OD1-N 2.94Å; R70-L72 VanDerWaalsContact C-N 3.28Å; R70-L72 PolarHBondContact O-N 3.24Å; R70-A73 WeakPolarHBondContact O-CB 3.44Å; R70-A73 PolarHBondContact O-N 2.85Å; R70-E74 WeakPolarHBondContact O-CG 3.28Å; R70-E74 PolarHBondContact O-N 2.89Å
71S89Confident85.4Confident5 Ų583.7 Ų83.74%0.03541%0.411CS..Hα-helixtrans-66.9-28.8-179.675.80000113.1L67 N68 E69 R75L67-S71 WeakPolarHBondContact CA-OG 3.17Å; N68-S71 PolarHBondContact N-OG 2.8Å; N68-S71 PolarHBondContact O-N 2.9Å; N68-S71 VanDerWaalsContact O-N 3.09Å; N68-S71 PolarHBondContact O-OG 3.47Å; N68-S71 VanDerWaalsContact OD1-CB 3.22Å; N68-S71 WeakPolarHBondContact OD1-CB 3.47Å; N68-S71 PolarHBondContact OD1-N 2.77Å; N68-S71 PolarHBondContact OD1-OG 3.03Å; E69-S71 PolarHBondContact O-N 3.1Å; S71-R75 WeakPolarHBondContact O-CB 3.36Å; S71-R75 PolarHBondContact O-N 3.43Å; S71-R75 VanDerWaalsContact O-N 3.1Å
72L91.1Very high85.8Confident8 Ų876 Ų764%0.04238%0.377CS..Hα-helixtrans-73.7-40.2173.6-67.9174.7000110.9Y9 F11 T21 L67 N68 E69 R70 R75 R76Y9-L72 HydrophobicContact CD2-CB 4.31Å; Y9-L72 HydrophobicContact CD2-CD1 4.45Å; Y9-L72 HydrophobicContact CE1-CB 4.08Å; Y9-L72 HydrophobicContact CE2-CB 3.81Å; Y9-L72 HydrophobicContact CE2-CD1 3.86Å; Y9-L72 HydrophobicContact CE2-CG 4.48Å; F11-L72 HydrophobicContact CE1-CD1 4Å; F11-L72 HydrophobicContact CZ-CD1 3.82Å; T21-L72 HydrophobicContact CG2-CD2 4.31Å; L67-L72 HydrophobicContact CD2-CD2 4.37Å; N68-L72 PolarHBondContact O-N 2.87Å; N68-L72 VanDerWaalsContact O-N 3.09Å; E69-L72 PolarHBondContact O-N 2.95Å; R70-L72 VanDerWaalsContact C-N 3.28Å; R70-L72 PolarHBondContact O-N 3.24Å; L72-R75 PolarHBondContact O-N 3.48Å; L72-R76 WeakPolarHBondContact O-CB 3.48Å; L72-R76 PolarHBondContact O-N 3.32Å
73A92.4Very high86.3Confident37 Ų3772.9 Ų72.931%0.30636%0.364SS..Hα-helixtrans-64.2-45174.700000112.3Y9 E69 R70 R75 R76 E77Y9-A73 HydrophobicContact CE1-CB 4.23Å; E69-A73 PolarHBondContact O-N 2.83Å; R70-A73 WeakPolarHBondContact O-CB 3.44Å; R70-A73 PolarHBondContact O-N 2.85Å; A73-R75 VanDerWaalsContact C-N 3.34Å; A73-R75 PolarHBondContact O-N 2.93Å; A73-R76 WeakPolarHBondContact O-CB 3.46Å; A73-R76 PolarHBondContact O-N 2.88Å; A73-E77 PolarHBondContact O-N 3.03Å
74E92.9Very high86.9Confident95 Ų9572.5 Ų72.544%0.44435%0.354SS..Hα-helixtrans-58.3-45.8172.9-73167.2-171.900111.4K62 R70 R76 E77 A78K62-E74 IonicContact NZ-OE2 2.97Å; K62-E74 PolarHBondContact NZ-OE2 3.46Å; R70-E74 WeakPolarHBondContact O-CG 3.28Å; R70-E74 PolarHBondContact O-N 2.89Å; E74-R76 VanDerWaalsContact C-N 3.33Å; E74-R76 PolarHBondContact O-N 3.07Å; E74-E77 PolarHBondContact O-N 3.34Å; E74-A78 WeakPolarHBondContact O-CB 3.49Å; E74-A78 PolarHBondContact O-N 3.06Å
75R93.6Very high87.5Confident17 Ų1768.1 Ų68.16%0.06434%0.343CS..Hα-helixtrans-63.6-39.7178.1177.2177.5-79.1160.5-0.7111.7Y23 Y37 P60 S71 L72 A73 E77 A78 L79Y23-R75 HydrophobicContact CE1-CG 4.38Å; Y23-R75 WeakPolarHBondContact OH-CD 3.29Å; Y37-R75 HydrophobicContact CD2-CG 4.23Å; P60-R75 PolarHBondContact O-NH2 3.34Å; S71-R75 WeakPolarHBondContact O-CB 3.36Å; S71-R75 PolarHBondContact O-N 3.43Å; S71-R75 VanDerWaalsContact O-N 3.1Å; L72-R75 PolarHBondContact O-N 3.48Å; A73-R75 VanDerWaalsContact C-N 3.34Å; A73-R75 PolarHBondContact O-N 2.93Å; R75-E77 VanDerWaalsContact C-N 3.34Å; R75-A78 PolarHBondContact O-N 2.82Å; R75-L79 HydrophobicContact CG-CD1 4Å; R75-L79 HydrophobicContact CG-CG 4.27Å; R75-L79 WeakPolarHBondContact O-CB 3.37Å; R75-L79 WeakPolarHBondContact O-CG 3.49Å; R75-L79 PolarHBondContact O-N 3.08Å
76R94.9Very high87.8Confident52 Ų5264.9 Ų64.920%0.19632%0.319CS..Hα-helixtrans-59-46.8175.7178.8-15460.483.32.7110.8V6 Y9 Y23 L72 A73 E74 L79 Q80V6-R76 HydrophobicContact CB-CG 4.28Å; V6-R76 HydrophobicContact CG1-CG 3.73Å; V6-R76 VanDerWaalsContact O-CD 3.29Å; V6-R76 WeakPolarHBondContact O-CD 3.3Å; V6-R76 WeakPolarHBondContact O-CG 3.37Å; V6-R76 PolarHBondContact O-NH1 3.11Å; Y9-R76 HydrophobicContact CD1-CB 4.16Å; Y9-R76 HydrophobicContact CD1-CG 4.45Å; Y23-R76 HydrophobicContact CD1-CB 4.01Å; Y23-R76 HydrophobicContact CD1-CG 4.24Å; Y23-R76 HydrophobicContact CE1-CB 3.94Å; L72-R76 WeakPolarHBondContact O-CB 3.48Å; L72-R76 PolarHBondContact O-N 3.32Å; A73-R76 WeakPolarHBondContact O-CB 3.46Å; A73-R76 PolarHBondContact O-N 2.88Å; E74-R76 VanDerWaalsContact C-N 3.33Å; E74-R76 PolarHBondContact O-N 3.07Å; R76-L79 PolarHBondContact O-N 3.34Å; R76-Q80 PolarHBondContact O-N 2.95Å
77E95.1Very high87.7Confident106 Ų10663.9 Ų63.950%0.49531%0.314SS..Hα-helixtrans-63.3-47.1178.4-174167.4-150.200111.8A73 E74 R75 L79 Q80 D81A73-E77 PolarHBondContact O-N 3.03Å; E74-E77 PolarHBondContact O-N 3.34Å; R75-E77 VanDerWaalsContact C-N 3.34Å; E77-L79 VanDerWaalsContact C-N 3.33Å; E77-L79 PolarHBondContact O-N 3.43Å; E77-Q80 WeakPolarHBondContact O-CA 3.44Å; E77-Q80 VanDerWaalsContact O-CB 3.3Å; E77-Q80 WeakPolarHBondContact O-CB 3.35Å; E77-Q80 PolarHBondContact O-N 3.3Å; E77-D81 PolarHBondContact O-N 3.48Å
78A94.2Very high87.1Confident41 Ų4165.6 Ų65.634%0.33933%0.329SS..Hα-helixtrans-64.6-35.3177.900000112.9P59 E74 R75 D81 Y82P59-A78 HydrophobicContact CB-CB 4.04Å; P59-A78 HydrophobicContact CG-CB 3.56Å; E74-A78 WeakPolarHBondContact O-CB 3.49Å; E74-A78 PolarHBondContact O-N 3.06Å; R75-A78 PolarHBondContact O-N 2.82Å; A78-D81 PolarHBondContact O-N 3.49Å; A78-Y82 WeakPolarHBondContact O-CB 3.13Å; A78-Y82 PolarHBondContact O-N 3.41Å
79L94.7Very high86.3Confident1 Ų163.3 Ų63.31%0.00531%0.314CS..Hα-helixtrans-65.9-38172-74.1172.2000111.8Y23 Y37 L40 F58 P59 R75 R76 E77 L83Y23-L79 HydrophobicContact CD1-CD1 3.81Å; Y23-L79 HydrophobicContact CD2-CD1 3.92Å; Y23-L79 HydrophobicContact CE1-CD1 3.87Å; Y23-L79 HydrophobicContact CE2-CD1 4.03Å; Y23-L79 HydrophobicContact CG-CD1 3.84Å; Y37-L79 HydrophobicContact CD2-CD1 4.49Å; Y37-L79 HydrophobicContact CD2-CD2 4.49Å; L40-L79 HydrophobicContact CB-CD2 4.37Å; L40-L79 HydrophobicContact CD1-CD1 3.99Å; L40-L79 HydrophobicContact CD1-CD2 3.87Å; L40-L79 HydrophobicContact CD1-CG 4.41Å; F58-L79 HydrophobicContact CE1-CD2 4.43Å; F58-L79 HydrophobicContact CE2-CD2 3.85Å; F58-L79 HydrophobicContact CZ-CD2 3.62Å; P59-L79 HydrophobicContact CG-CD2 3.96Å; P59-L79 HydrophobicContact CG-CG 4.14Å; R75-L79 HydrophobicContact CG-CD1 4Å; R75-L79 HydrophobicContact CG-CG 4.27Å; R75-L79 WeakPolarHBondContact O-CB 3.37Å; R75-L79 WeakPolarHBondContact O-CG 3.49Å; R75-L79 PolarHBondContact O-N 3.08Å; R76-L79 PolarHBondContact O-N 3.34Å; E77-L79 VanDerWaalsContact C-N 3.33Å; E77-L79 PolarHBondContact O-N 3.43Å; L79-L83 WeakPolarHBondContact O-CB 3.5Å; L79-L83 VanDerWaalsContact O-CG 3.24Å; L79-L83 WeakPolarHBondContact O-CG 3.48Å; L79-L83 PolarHBondContact O-N 3.41Å
80Q94.2Very high85.6Confident23 Ų2364.2 Ų64.211%0.10732%0.318CS..Hα-helixtrans-61.1-47.7175179.3173.1-93.800111.3V6 R76 E77 L83 R84V6-Q80 HydrophobicContact CB-CB 3.99Å; V6-Q80 HydrophobicContact CG2-CB 3.96Å; R76-Q80 PolarHBondContact O-N 2.95Å; E77-Q80 WeakPolarHBondContact O-CA 3.44Å; E77-Q80 VanDerWaalsContact O-CB 3.3Å; E77-Q80 WeakPolarHBondContact O-CB 3.35Å; E77-Q80 PolarHBondContact O-N 3.3Å; Q80-L83 PolarHBondContact O-N 3.2Å; Q80-R84 WeakPolarHBondContact O-CG 3.41Å; Q80-R84 PolarHBondContact O-N 3.03Å
81D92Very high84.9Confident74 Ų7457.9 Ų57.940%0.39630%0.298SS..Hα-helixtrans-67.5-39.8-179.3-67.5-20.8000111.7E77 A78 L83 R84 V85E77-D81 PolarHBondContact O-N 3.48Å; A78-D81 PolarHBondContact O-N 3.49Å; D81-L83 VanDerWaalsContact C-N 3.33Å; D81-L83 PolarHBondContact O-N 2.93Å; D81-R84 PolarHBondContact O-N 3.46Å; D81-R84 IonicContact OD1-NH1 3.85Å; D81-R84 PolarHBondContact OD1-NH1 2.92Å; D81-V85 WeakPolarHBondContact O-CG2 3.42Å; D81-V85 PolarHBondContact O-N 2.8Å
82Y92.1Very high84.2Confident13 Ų1358.3 Ų58.35%0.05130%0.3CS..Hα-helixtrans-55-47.3171.5178.1-92.7000112H44 P56 E57 F58 A78 R84 V85 G86H44-Y82 WeakPolarHBondContact CA-OH 3.33Å; H44-Y82 WeakPolarHBondContact CB-OH 3.5Å; H44-Y82 AromaticContact ND1-CE2 3.58Å; H44-Y82 AromaticContact ND1-CZ 3.64Å; H44-Y82 PolarHBondContact ND1-OH 3.25Å; P56-Y82 HydrophobicContact CB-CD2 4.34Å; P56-Y82 HydrophobicContact CB-CE2 4.48Å; P56-Y82 HydrophobicContact CG-CD2 3.76Å; P56-Y82 HydrophobicContact CG-CE2 3.66Å; E57-Y82 WeakPolarHBondContact O-CD2 3.47Å; F58-Y82 HydrophobicContact CB-CD2 4.43Å; F58-Y82 HydrophobicContact CB-CE2 4.25Å; F58-Y82 AromaticContact CD2-CD1 3.88Å; F58-Y82 HydrophobicContact CD2-CD1 3.88Å; F58-Y82 AromaticContact CD2-CD2 3.74Å; F58-Y82 HydrophobicContact CD2-CD2 3.74Å; F58-Y82 AromaticContact CD2-CE1 3.78Å; F58-Y82 HydrophobicContact CD2-CE1 3.78Å; F58-Y82 AromaticContact CD2-CE2 3.63Å; F58-Y82 HydrophobicContact CD2-CE2 3.63Å; F58-Y82 AromaticContact CD2-CG 3.88Å; F58-Y82 HydrophobicContact CD2-CG 3.88Å; F58-Y82 AromaticContact CD2-CZ 3.67Å; F58-Y82 AromaticContact CE2-CD1 3.93Å; F58-Y82 HydrophobicContact CE2-CD1 3.93Å; F58-Y82 AromaticContact CE2-CE1 3.9Å; F58-Y82 HydrophobicContact CE2-CE1 3.9Å; F58-Y82 HydrophobicContact CE2-CG 4.29Å; F58-Y82 HydrophobicContact CG-CE2 4.44Å; A78-Y82 WeakPolarHBondContact O-CB 3.13Å; A78-Y82 PolarHBondContact O-N 3.41Å; Y82-R84 VanDerWaalsContact C-N 3.32Å; Y82-R84 PolarHBondContact O-N 3.37Å; Y82-V85 PolarHBondContact O-N 2.94Å; Y82-G86 PolarHBondContact O-N 3.24Å
83L89.5Confident83.4Confident11 Ų1162.9 Ų62.96%0.05832%0.321CS..Hα-helixtrans-71.9-23.8-179.1-68.3175.3000113.5V4 V6 I25 L40 L79 Q80 D81 F96V4-L83 HydrophobicContact CB-CB 4.47Å; V4-L83 HydrophobicContact CG1-CB 3.81Å; V4-L83 HydrophobicContact CG1-CD1 4.26Å; V6-L83 HydrophobicContact CG2-CD1 3.88Å; I25-L83 HydrophobicContact CD1-CD1 3.87Å; I25-L83 HydrophobicContact CG1-CD1 4.13Å; I25-L83 HydrophobicContact CG2-CD1 4.28Å; L40-L83 HydrophobicContact CD2-CD2 4.39Å; L79-L83 WeakPolarHBondContact O-CB 3.5Å; L79-L83 VanDerWaalsContact O-CG 3.24Å; L79-L83 WeakPolarHBondContact O-CG 3.48Å; L79-L83 PolarHBondContact O-N 3.41Å; Q80-L83 PolarHBondContact O-N 3.2Å; D81-L83 VanDerWaalsContact C-N 3.33Å; D81-L83 PolarHBondContact O-N 2.93Å; L83-F96 HydrophobicContact CD2-CZ 4.09Å
84R88.2Confident82.6Confident114 Ų11467.7 Ų67.743%0.4333%0.331SS..Hα-helixtrans-76.3-40.9174.1-76.1169171.2176.3-10.9112.5V4 Q80 D81 Y82V4-R84 WeakPolarHBondContact O-CG 3.19Å; V4-R84 PolarHBondContact O-NE 3.32Å; V4-R84 VanDerWaalsContact O-NE 3.13Å; Q80-R84 WeakPolarHBondContact O-CG 3.41Å; Q80-R84 PolarHBondContact O-N 3.03Å; D81-R84 PolarHBondContact O-N 3.46Å; D81-R84 IonicContact OD1-NH1 3.85Å; D81-R84 PolarHBondContact OD1-NH1 2.92Å; Y82-R84 VanDerWaalsContact C-N 3.32Å; Y82-R84 PolarHBondContact O-N 3.37Å
85V82.1Confident82Confident96 Ų9664.8 Ų64.858%0.58232%0.317SS*.Hα-helixtrans-77.2-29.4179.1179.10000111P56 D81 Y82 K87P56-V85 HydrophobicContact CB-CG1 4.19Å; P56-V85 HydrophobicContact CG-CB 4.5Å; P56-V85 HydrophobicContact CG-CG1 4.22Å; D81-V85 WeakPolarHBondContact O-CG2 3.42Å; D81-V85 PolarHBondContact O-N 2.8Å; Y82-V85 PolarHBondContact O-N 2.94Å; V85-K87 PolarHBondContact O-N 2.84Å
86G69.2Low81.3Confident23 Ų2364.6 Ų64.624%0.23732%0.317CS..SBendtrans-51.3103.6175.900000111.6Y82Y82-G86 PolarHBondContact O-N 3.24Å
87K64.7Low80.2Confident130 Ų13066.9 Ų66.957%0.56533%0.333SS*.  trans-59.2153174.6-71.2-170.3178.9-178.90109.9V85 Y89V85-K87 PolarHBondContact O-N 2.84Å; K87-Y89 HydrophobicContact CB-CE2 4.29Å; K87-Y89 VanDerWaalsContact O-CD2 3.28Å; K87-Y89 WeakPolarHBondContact O-CD2 3.34Å; K87-Y89 PolarHBondContact O-N 3.11Å
88P61.3Low79.3Confident97 Ų9764.5 Ų64.563%0.6332%0.323SS*.  trans-71.774.2178.531.6-35.6000110.2Q93P88-Q93 HydrophobicContact CB-CG 4.38Å
89Y67.3Low78.4Confident48 Ų4862.8 Ų62.819%0.18831%0.309CS..  trans-61141.4160.6-60.7-78.2000107.2I47 D51 K87 L91 V92 Q93I47-Y89 HydrophobicContact CG2-CD2 3.95Å; I47-Y89 HydrophobicContact CG2-CE2 3.69Å; D51-Y89 HydrophobicContact CB-CE1 4Å; D51-Y89 PolarHBondContact OD2-OH 3.46Å; D51-Y89 VanDerWaalsContact OD2-OH 3.12Å; K87-Y89 HydrophobicContact CB-CE2 4.29Å; K87-Y89 VanDerWaalsContact O-CD2 3.28Å; K87-Y89 WeakPolarHBondContact O-CD2 3.34Å; K87-Y89 PolarHBondContact O-N 3.11Å; Y89-L91 PolarHBondContact O-N 2.89Å; Y89-V92 HydrophobicContact CD2-CG2 4.09Å; Y89-V92 WeakPolarHBondContact O-CA 3.42Å; Y89-V92 WeakPolarHBondContact O-CB 3.45Å; Y89-V92 PolarHBondContact O-N 2.84Å; Y89-Q93 PolarHBondContact O-N 3.25Å
90Q70.3Confident77.1Confident171 Ų17166.3 Ų66.380%0.79933%0.326SS*.Hα-helixtrans-51.2-32.6173.5-71.1-175.9-16.400111.4Q93 R94Q90-Q93 PolarHBondContact O-N 3.31Å; Q90-R94 WeakPolarHBondContact O-CB 3.49Å; Q90-R94 PolarHBondContact O-N 3.17Å
91L74.1Confident75.6Confident54 Ų5471.9 Ų71.928%0.28335%0.345SS..Hα-helixtrans-64.3-42173.7-172.672.2000113.6L43 L46 I47 I50 Y89 R94 F95L43-L91 HydrophobicContact CD1-CD2 4.39Å; L43-L91 HydrophobicContact CD1-CG 4.4Å; L46-L91 HydrophobicContact CB-CD2 3.59Å; L46-L91 HydrophobicContact CD1-CD2 4.42Å; I47-L91 HydrophobicContact CG1-CD2 4.23Å; I50-L91 HydrophobicContact CD1-CD2 3.88Å; Y89-L91 PolarHBondContact O-N 2.89Å; L91-R94 PolarHBondContact O-N 3.43Å; L91-F95 WeakPolarHBondContact O-CB 3.04Å; L91-F95 PolarHBondContact O-N 3.44Å
92V74.9Confident74.5Confident13 Ų1375 Ų758%0.07936%0.358CS..Hα-helixtrans-66.3-42.8177.2172.30000110I47 Y89 R94 F95 F96I47-V92 HydrophobicContact CD1-CG2 3.51Å; I47-V92 HydrophobicContact CG1-CG2 4.2Å; Y89-V92 HydrophobicContact CD2-CG2 4.09Å; Y89-V92 WeakPolarHBondContact O-CA 3.42Å; Y89-V92 WeakPolarHBondContact O-CB 3.45Å; Y89-V92 PolarHBondContact O-N 2.84Å; V92-R94 VanDerWaalsContact C-N 3.33Å; V92-R94 PolarHBondContact O-N 2.81Å; V92-F95 PolarHBondContact O-N 3.15Å; V92-F96 HydrophobicContact CG1-CD2 3.61Å; V92-F96 HydrophobicContact CG1-CE2 3.41Å; V92-F96 VanDerWaalsContact CG1-CE2 3.41Å; V92-F96 WeakPolarHBondContact O-CD2 3.44Å; V92-F96 PolarHBondContact O-N 2.88Å
93Q74.4Confident73.3Confident105 Ų10575.4 Ų75.449%0.49136%0.363SS..Hα-helixtrans-59.5-46174-67.6179.5-16.800111.1P88 Y89 Q90 F96 L97P88-Q93 HydrophobicContact CB-CG 4.38Å; Y89-Q93 PolarHBondContact O-N 3.25Å; Q90-Q93 PolarHBondContact O-N 3.31Å; Q93-F96 PolarHBondContact O-N 2.97Å; Q93-L97 WeakPolarHBondContact O-CG 3.13Å; Q93-L97 PolarHBondContact O-N 3.38Å
94R75Confident71.8Confident138 Ų13876.4 Ų76.452%0.52137%0.37SS..Hα-helixtrans-61.5-45.5176.9-17766.8-157.7-168.65.4112.1Q90 L91 V92 F96 L97 D98Q90-R94 WeakPolarHBondContact O-CB 3.49Å; Q90-R94 PolarHBondContact O-N 3.17Å; L91-R94 PolarHBondContact O-N 3.43Å; V92-R94 VanDerWaalsContact C-N 3.33Å; V92-R94 PolarHBondContact O-N 2.81Å; R94-F96 VanDerWaalsContact C-N 3.33Å; R94-F96 PolarHBondContact O-N 2.96Å; R94-L97 WeakPolarHBondContact O-CB 3.34Å; R94-L97 PolarHBondContact O-N 2.87Å; R94-D98 IonicContact CZ-OD1 2.73Å; R94-D98 VanDerWaalsContact CZ-OD1 3.31Å; R94-D98 IonicContact CZ-OD2 2.61Å; R94-D98 IonicContact NE-OD1 2.86Å; R94-D98 PolarHBondContact NE-OD1 3.29Å; R94-D98 IonicContact NE-OD2 3.43Å; R94-D98 PolarHBondContact NE-OD2 3.06Å; R94-D98 IonicContact NH2-OD1 3.75Å; R94-D98 PolarHBondContact NH2-OD1 3.11Å; R94-D98 IonicContact NH2-OD2 3.85Å; R94-D98 PolarHBondContact O-N 2.9Å
95F81.1Confident70.2Confident33 Ų3374.5 Ų74.515%0.14537%0.371CS..Hα-helixtrans-57-46.5175.4173.8-90.6000111.7T39 L40 L43 L91 V92 L97 D98 A99T39-F95 HydrophobicContact CG2-CE2 3.7Å; T39-F95 HydrophobicContact CG2-CZ 3.84Å; L40-F95 HydrophobicContact CD2-CE1 3.99Å; L40-F95 HydrophobicContact CD2-CZ 3.97Å; L43-F95 HydrophobicContact CB-CD2 4.16Å; L43-F95 HydrophobicContact CB-CE2 4.19Å; L43-F95 HydrophobicContact CD1-CB 3.8Å; L43-F95 HydrophobicContact CD1-CD2 4.08Å; L43-F95 HydrophobicContact CD1-CG 3.9Å; L43-F95 HydrophobicContact CD2-CB 4.28Å; L43-F95 HydrophobicContact CD2-CD1 3.58Å; L43-F95 HydrophobicContact CD2-CD2 4.14Å; L43-F95 HydrophobicContact CD2-CE1 3.88Å; L43-F95 HydrophobicContact CD2-CE2 4.4Å; L43-F95 HydrophobicContact CD2-CG 3.72Å; L43-F95 HydrophobicContact CD2-CZ 4.28Å; L43-F95 HydrophobicContact CG-CD2 4.35Å; L43-F95 HydrophobicContact CG-CG 4.26Å; L91-F95 WeakPolarHBondContact O-CB 3.04Å; L91-F95 PolarHBondContact O-N 3.44Å; V92-F95 PolarHBondContact O-N 3.15Å; F95-L97 VanDerWaalsContact C-N 3.34Å; F95-L97 PolarHBondContact O-N 3.25Å; F95-D98 PolarHBondContact O-N 2.69Å; F95-A99 HydrophobicContact CE1-CB 4.31Å; F95-A99 HydrophobicContact CZ-CB 4.49Å; F95-A99 VanDerWaalsContact O-CB 3.25Å; F95-A99 WeakPolarHBondContact O-CB 3.48Å; F95-A99 PolarHBondContact O-N 3.11Å
96F77.3Confident69Low13 Ų1373 Ų736%0.05737%0.369CS..Hα-helixtrans-63.7-39.6177.9-81.2-57.2000112.2M2 I25 I27 H32 L83 V92 Q93 R94 Q100M2-F96 HydrophobicContact CE-CD2 4.04Å; M2-F96 HydrophobicContact CE-CE2 3.92Å; M2-F96 HydrophobicContact CE-CZ 4.4Å; I25-F96 HydrophobicContact CD1-CE1 4.38Å; I25-F96 HydrophobicContact CG2-CE1 3.95Å; I27-F96 HydrophobicContact CD1-CD1 4.41Å; H32-F96 AromaticContact CD2-CD1 3.71Å; H32-F96 AromaticContact NE2-CD1 3.85Å; H32-F96 PolarHBondContact NE2-O 3.13Å; L83-F96 HydrophobicContact CD2-CZ 4.09Å; V92-F96 HydrophobicContact CG1-CD2 3.61Å; V92-F96 HydrophobicContact CG1-CE2 3.41Å; V92-F96 VanDerWaalsContact CG1-CE2 3.41Å; V92-F96 WeakPolarHBondContact O-CD2 3.44Å; V92-F96 PolarHBondContact O-N 2.88Å; Q93-F96 PolarHBondContact O-N 2.97Å; R94-F96 VanDerWaalsContact C-N 3.33Å; R94-F96 PolarHBondContact O-N 2.96Å; F96-Q100 VanDerWaalsContact O-CB 3.29Å; F96-Q100 WeakPolarHBondContact O-CB 3.31Å; F96-Q100 PolarHBondContact O-N 3.48Å
97L72.2Confident68.2Low101 Ų10174.1 Ų74.153%0.52938%0.375SS..Hα-helixtrans-63.1-44.7174.4-70.3170.5000111.7Q93 R94 F95 Q100 R101Q93-L97 WeakPolarHBondContact O-CG 3.13Å; Q93-L97 PolarHBondContact O-N 3.38Å; R94-L97 WeakPolarHBondContact O-CB 3.34Å; R94-L97 PolarHBondContact O-N 2.87Å; F95-L97 VanDerWaalsContact C-N 3.34Å; F95-L97 PolarHBondContact O-N 3.25Å; L97-Q100 PolarHBondContact O-N 2.9Å; L97-R101 WeakPolarHBondContact O-CB 3.46Å; L97-R101 PolarHBondContact O-N 2.82Å
98D75.8Confident67.4Low55 Ų5568.5 Ų68.529%0.29435%0.352SS..Hα-helixtrans-68.4-41.4179.7-69.6-33.1000111.5R94 F95 Q100 R101 E102R94-D98 IonicContact CZ-OD1 2.73Å; R94-D98 VanDerWaalsContact CZ-OD1 3.31Å; R94-D98 IonicContact CZ-OD2 2.61Å; R94-D98 IonicContact NE-OD1 2.86Å; R94-D98 PolarHBondContact NE-OD1 3.29Å; R94-D98 IonicContact NE-OD2 3.43Å; R94-D98 PolarHBondContact NE-OD2 3.06Å; R94-D98 IonicContact NH2-OD1 3.75Å; R94-D98 PolarHBondContact NH2-OD1 3.11Å; R94-D98 IonicContact NH2-OD2 3.85Å; R94-D98 PolarHBondContact O-N 2.9Å; F95-D98 PolarHBondContact O-N 2.69Å; D98-Q100 PolarHBondContact O-N 3.38Å; D98-R101 WeakPolarHBondContact O-CB 3.39Å; D98-R101 PolarHBondContact O-N 3.38Å; D98-R101 VanDerWaalsContact O-N 3.16Å; D98-E102 PolarHBondContact O-N 3.17Å
99A75.2Confident67.1Low5 Ų574.6 Ų74.64%0.04136%0.363CS..Hα-helixtrans-67.1-35.7177.200000112.7C33 F95 S103C33-A99 HydrophobicContact CB-CB 3.88Å; C33-A99 WeakPolarHBondContact CB-O 3.46Å; F95-A99 HydrophobicContact CE1-CB 4.31Å; F95-A99 HydrophobicContact CZ-CB 4.49Å; F95-A99 VanDerWaalsContact O-CB 3.25Å; F95-A99 WeakPolarHBondContact O-CB 3.48Å; F95-A99 PolarHBondContact O-N 3.11Å; A99-S103 WeakPolarHBondContact O-CB 3.28Å; A99-S103 PolarHBondContact O-N 3.37Å; A99-S103 PolarHBondContact O-OG 3Å
100Q68.6Low66.3Low76 Ų7680.8 Ų80.836%0.35539%0.394SS..Hα-helixtrans-62.7-46.5170-172175.140.400110.1H32 F96 L97 D98 E102 S103 C104H32-Q100 VanDerWaalsContact CE1-CD 3.48Å; F96-Q100 VanDerWaalsContact O-CB 3.29Å; F96-Q100 WeakPolarHBondContact O-CB 3.31Å; F96-Q100 PolarHBondContact O-N 3.48Å; L97-Q100 PolarHBondContact O-N 2.9Å; D98-Q100 PolarHBondContact O-N 3.38Å; Q100-E102 PolarHBondContact O-N 3.45Å; Q100-S103 PolarHBondContact O-N 2.82Å; Q100-C104 VanDerWaalsContact O-CB 3.22Å; Q100-C104 WeakPolarHBondContact O-CB 3.49Å; Q100-C104 PolarHBondContact O-N 3.01Å; Q100-C104 PolarHBondContact O-SG 2.82Å
101R62.5Low65.6Low139 Ų13977.5 Ų77.553%0.52538%0.381SS..Hα-helixtrans-58.8-46.4176.9-170.1-179.1-176.2-151.91.6111.8L97 D98 C104 V105L97-R101 WeakPolarHBondContact O-CB 3.46Å; L97-R101 PolarHBondContact O-N 2.82Å; D98-R101 WeakPolarHBondContact O-CB 3.39Å; D98-R101 PolarHBondContact O-N 3.38Å; D98-R101 VanDerWaalsContact O-N 3.16Å; R101-C104 PolarHBondContact O-N 3.11Å; R101-V105 WeakPolarHBondContact O-CB 2.82Å; R101-V105 WeakPolarHBondContact O-CG2 3.46Å; R101-V105 PolarHBondContact O-N 2.56Å
102E68.8Low65Low141 Ų14179.1 Ų79.166%0.65940%0.397SS*.Hα-helixtrans-61.2-45.1177-74-178.5-177.200112.3D98 Q100 V105 A106D98-E102 PolarHBondContact O-N 3.17Å; Q100-E102 PolarHBondContact O-N 3.45Å; E102-V105 PolarHBondContact O-N 2.98Å; E102-A106 PolarHBondContact O-N 2.91Å
103S66.6Low65Low21 Ų2181.7 Ų81.715%0.14741%0.41CS..Hα-helixtrans-66.7-40.6178.4-61.80000111.7C33 S34 A99 Q100 A106 A107C33-S103 WeakPolarHBondContact CA-OG 3.44Å; C33-S103 VanDerWaalsContact CB-OG 3.31Å; C33-S103 WeakPolarHBondContact CB-OG 3.31Å; S34-S103 PolarHBondContact N-OG 2.92Å; A99-S103 WeakPolarHBondContact O-CB 3.28Å; A99-S103 PolarHBondContact O-N 3.37Å; A99-S103 PolarHBondContact O-OG 3Å; Q100-S103 PolarHBondContact O-N 2.82Å; S103-A106 WeakPolarHBondContact O-CB 3.43Å; S103-A106 PolarHBondContact O-N 3.35Å; S103-A107 PolarHBondContact O-N 2.87Å
104C58.5Low65Low32 Ų3282.4 Ų82.422%0.21641%0.413CS..Hα-helixtrans-65.4-39.4174.2-80.30000111.3Q100 R101 A106 A107 S108 P131Q100-C104 VanDerWaalsContact O-CB 3.22Å; Q100-C104 WeakPolarHBondContact O-CB 3.49Å; Q100-C104 PolarHBondContact O-N 3.01Å; Q100-C104 PolarHBondContact O-SG 2.82Å; R101-C104 PolarHBondContact O-N 3.11Å; C104-A106 VanDerWaalsContact C-N 3.28Å; C104-A106 PolarHBondContact O-N 3.46Å; C104-A107 CarbonylContact O-C 3.57Å; C104-A107 WeakPolarHBondContact O-CA 3.05Å; C104-A107 WeakPolarHBondContact O-CB 3.29Å; C104-A107 PolarHBondContact O-N 2.97Å; C104-A107 VanDerWaalsContact O-N 3.07Å; C104-S108 VanDerWaalsContact C-OG 3.25Å; C104-S108 WeakPolarHBondContact O-CA 3.28Å; C104-S108 WeakPolarHBondContact O-CB 3.41Å; C104-S108 PolarHBondContact O-N 2.69Å; C104-S108 PolarHBondContact O-OG 3.35Å; C104-P131 HydrophobicContact CB-CB 4.01Å; C104-P131 PolarHBondContact SG-O 2.95Å; C104-P131 VanDerWaalsContact SG-O 3.33Å
105V54.4Low65.1Low74 Ų7479.3 Ų79.345%0.44841%0.407SS..Hα-helixtrans-60-37.9175.9167.20000111.5R101 E102 S108 R109R101-V105 WeakPolarHBondContact O-CB 2.82Å; R101-V105 WeakPolarHBondContact O-CG2 3.46Å; R101-V105 PolarHBondContact O-N 2.56Å; E102-V105 PolarHBondContact O-N 2.98Å; V105-S108 WeakPolarHBondContact CA-OG 3.37Å; V105-S108 WeakPolarHBondContact O-CB 2.97Å; V105-S108 PolarHBondContact O-N 2.78Å; V105-R109 PolarHBondContact O-N 3.34Å
106A57.4Low64.7Low65 Ų6580.8 Ų80.854%0.53742%0.42SS..Hα-helixtrans-62.6-42.417300000112.1E102 S103 C104 S108E102-A106 PolarHBondContact O-N 2.91Å; S103-A106 WeakPolarHBondContact O-CB 3.43Å; S103-A106 PolarHBondContact O-N 3.35Å; C104-A106 VanDerWaalsContact C-N 3.28Å; C104-A106 PolarHBondContact O-N 3.46Å; A106-S108 VanDerWaalsContact C-N 3.34Å
107A51.4Low64.5Low45 Ų4581.9 Ų81.937%0.37243%0.428SS..Hα-helixtrans-70.4-28.517200000113.1S103 C104 R109 Q110S103-A107 PolarHBondContact O-N 2.87Å; C104-A107 CarbonylContact O-C 3.57Å; C104-A107 WeakPolarHBondContact O-CA 3.05Å; C104-A107 WeakPolarHBondContact O-CB 3.29Å; C104-A107 PolarHBondContact O-N 2.97Å; C104-A107 VanDerWaalsContact O-N 3.07Å; A107-R109 PolarHBondContact O-N 3.41Å; A107-Q110 WeakPolarHBondContact O-CB 3.44Å; A107-Q110 PolarHBondContact O-N 3.45Å
108S48.6Very low64Low12 Ų1285.1 Ų85.18%0.08443%0.434CS..Hα-helixtrans-66.6-24.8-176.4-55.70000112.3C104 V105 A106 Q110 L111 P131C104-S108 VanDerWaalsContact C-OG 3.25Å; C104-S108 WeakPolarHBondContact O-CA 3.28Å; C104-S108 WeakPolarHBondContact O-CB 3.41Å; C104-S108 PolarHBondContact O-N 2.69Å; C104-S108 PolarHBondContact O-OG 3.35Å; V105-S108 WeakPolarHBondContact CA-OG 3.37Å; V105-S108 WeakPolarHBondContact O-CB 2.97Å; V105-S108 PolarHBondContact O-N 2.78Å; A106-S108 VanDerWaalsContact C-N 3.34Å; S108-Q110 PolarHBondContact O-N 3.22Å; S108-Q110 VanDerWaalsContact O-N 3.1Å; S108-L111 PolarHBondContact O-N 3.15Å; S108-L111 VanDerWaalsContact O-N 3.13Å; S108-L111 VanDerWaalsContact O-O 3.06Å; S108-P131 WeakPolarHBondContact OG-CB 3.17Å; S108-P131 WeakPolarHBondContact OG-CD 3.37Å; S108-P131 WeakPolarHBondContact OG-CG 3.47Å
109R54.3Low63.2Low226 Ų22683.3 Ų83.385%0.85342%0.424SS*.THydrogen-bonded Turntrans-59-21172-69.7-176178.2150.9-0.6112.7V105 A107V105-R109 PolarHBondContact O-N 3.34Å; A107-R109 PolarHBondContact O-N 3.41Å
110Q51.6Low62.1Low178 Ų17885.1 Ų85.183%0.83243%0.431SS*.THydrogen-bonded Turntrans-101.8-13.6178.4-64.4178.3-11.400113.5A107 S108A107-Q110 WeakPolarHBondContact O-CB 3.44Å; A107-Q110 PolarHBondContact O-N 3.45Å; S108-Q110 PolarHBondContact O-N 3.22Å; S108-Q110 VanDerWaalsContact O-N 3.1Å
111L55Low61.7Low101 Ų10183.6 Ų83.653%0.52943%0.425SS..SBendtrans-104.9141.2-174.7-68.3168.1000110.7S108 N113 P131S108-L111 PolarHBondContact O-N 3.15Å; S108-L111 VanDerWaalsContact O-N 3.13Å; S108-L111 VanDerWaalsContact O-O 3.06Å; L111-N113 PolarHBondContact O-N 3.26Å; L111-P131 HydrophobicContact CB-CG 4.15Å; L111-P131 HydrophobicContact CD1-CB 4.44Å; L111-P131 HydrophobicContact CD1-CG 3.85Å
112S61.3Low61.5Low89 Ų8985.5 Ų85.562%0.62243%0.432SS*.  trans-57.8121.6172.3173.60000109.9Q114S112-Q114 PolarHBondContact O-N 3.19Å; S112-Q114 WeakPolarHBondContact OG-CB 3.42Å; S112-Q114 PolarHBondContact OG-N 3.32Å; S112-Q114 PolarHBondContact OG-O 3.33Å
113N74.3Confident61.3Low67 Ų6781.6 Ų81.636%0.35842%0.418SS..SBendtrans-73.324.6173-66.8-28.6000112.7L111 P128 C129 F130L111-N113 PolarHBondContact O-N 3.26Å; N113-P128 WeakPolarHBondContact O-CA 3.22Å; N113-C129 CarbonylContact C-O 3.33Å; N113-C129 VanDerWaalsContact C-O 3.24Å; N113-C129 WeakPolarHBondContact CA-O 3.24Å; N113-C129 PolarHBondContact O-N 3.49Å; N113-C129 VanDerWaalsContact O-N 3.07Å; N113-F130 HydrophobicContact CB-CD1 4.36Å; N113-F130 HydrophobicContact CB-CE1 4.2Å
114Q75.5Confident61.6Low119 Ų11988 Ų8856%0.55644%0.443SS*.EExtended strand (participates in β ladder)trans-137.6112.2-170.8-79.7-161.85.900108.2S112 T126 V127S112-Q114 PolarHBondContact O-N 3.19Å; S112-Q114 WeakPolarHBondContact OG-CB 3.42Å; S112-Q114 PolarHBondContact OG-N 3.32Å; S112-Q114 PolarHBondContact OG-O 3.33Å; Q114-T126 HydrophobicContact CB-CG2 3.36Å; Q114-T126 HydrophobicContact CG-CG2 3.6Å; Q114-V127 WeakPolarHBondContact CA-O 3.39Å
115L76.7Confident62.3Low74 Ų7487.7 Ų87.739%0.38744%0.439SS..EExtended strand (participates in β ladder)trans-97.6113.6175.4176.669.2000109.2V117 V127 C129 V138L115-V117 HydrophobicContact CD2-CG2 4.27Å; L115-V117 HydrophobicContact CG-CG2 4.22Å; L115-V117 PolarHBondContact O-N 3.21Å; L115-V127 HydrophobicContact CB-CB 4.43Å; L115-V127 PolarHBondContact N-O 3.34Å; L115-V127 PolarHBondContact O-N 3.33Å; L115-C129 WeakPolarHBondContact CB-SG 3.14Å; L115-V138 HydrophobicContact CD2-CG1 3.71Å
116P73.6Confident63.3Low63 Ų6386.8 Ų86.841%0.40943%0.434SS..EExtended strand (participates in β ladder)trans-69.9122.8171.728.9-32.8000109.3Y118P116-Y118 HydrophobicContact CB-CE2 3.97Å; P116-Y118 HydrophobicContact CG-CE2 4.3Å
117V71.5Confident64.3Low37 Ų3783.7 Ų83.722%0.22441%0.408CS..EExtended strand (participates in β ladder)trans-111.1121.8173.9-178.40000108.1L115 K124 F125 V127L115-V117 HydrophobicContact CD2-CG2 4.27Å; L115-V117 HydrophobicContact CG-CG2 4.22Å; L115-V117 PolarHBondContact O-N 3.21Å; V117-K124 WeakPolarHBondContact O-CA 3.45Å; V117-F125 HydrophobicContact CB-CD1 4.05Å; V117-F125 HydrophobicContact CB-CE1 3.31Å; V117-F125 HydrophobicContact CB-CE2 4.13Å; V117-F125 HydrophobicContact CB-CZ 3.36Å; V117-F125 HydrophobicContact CG1-CD1 4.37Å; V117-F125 HydrophobicContact CG1-CE1 3.31Å; V117-F125 HydrophobicContact CG1-CZ 3.46Å; V117-F125 VanDerWaalsContact CG1-CZ 3.46Å; V117-F125 HydrophobicContact CG2-CE1 4.34Å; V117-F125 HydrophobicContact CG2-CE2 4.39Å; V117-F125 HydrophobicContact CG2-CZ 3.91Å; V117-F125 PolarHBondContact N-O 3.03Å; V117-F125 WeakPolarHBondContact O-CD1 3.28Å; V117-F125 PolarHBondContact O-N 3.28Å; V117-V127 HydrophobicContact CB-CG2 4.47Å; V117-V127 HydrophobicContact CG2-CB 4.41Å; V117-V127 HydrophobicContact CG2-CG2 3.57Å
118Y63.3Low65.4Low168 Ų16885.3 Ų85.366%0.65941%0.414SS*.EExtended strand (participates in β ladder)trans-94.5125.5180-62.4-93.3000109.2P116 K124P116-Y118 HydrophobicContact CB-CE2 3.97Å; P116-Y118 HydrophobicContact CG-CE2 4.3Å; Y118-K124 HydrophobicContact CD1-CB 4.04Å; Y118-K124 HydrophobicContact CE1-CB 4.11Å
119L58.3Low66.6Low17 Ų1785.6 Ų85.69%0.08942%0.416CS..  trans-92.5160.6179.3-62.9-179.3000111D121 R122 T123 F125 T146 L148L119-D121 WeakPolarHBondContact CB-OD1 3.4Å; L119-D121 PolarHBondContact O-N 2.88Å; L119-R122 WeakPolarHBondContact O-CA 3.23Å; L119-R122 PolarHBondContact O-N 3.24Å; L119-T123 WeakPolarHBondContact CD1-OG1 3.43Å; L119-T123 PolarHBondContact N-O 2.63Å; L119-F125 HydrophobicContact CD1-CD1 3.74Å; L119-F125 HydrophobicContact CD1-CE1 4.02Å; L119-F125 HydrophobicContact CD2-CD1 4.11Å; L119-F125 HydrophobicContact CD2-CE1 3.57Å; L119-F125 HydrophobicContact CG-CD1 3.78Å; L119-F125 HydrophobicContact CG-CE1 3.77Å; L119-T146 HydrophobicContact CD1-CG2 4.12Å; L119-T146 HydrophobicContact CD2-CG2 3.19Å; L119-T146 HydrophobicContact CG-CG2 4.29Å; L119-L148 HydrophobicContact CB-CD1 4.32Å; L119-L148 HydrophobicContact CD1-CD1 4.08Å; L119-L148 HydrophobicContact CD2-CD1 4.46Å
120F52.8Low67.4Low43 Ų4380.1 Ų80.119%0.18940%0.399CS..THydrogen-bonded Turntrans-67.6-18.7-178.6-65.3-69.8000114.2R122 P150 L152 A169 I176 L178F120-R122 PolarHBondContact O-N 3.06Å; F120-P150 HydrophobicContact CE2-CB 3.47Å; F120-P150 VanDerWaalsContact CE2-CB 3.47Å; F120-P150 HydrophobicContact CE2-CG 3.77Å; F120-P150 HydrophobicContact CZ-CB 3.72Å; F120-P150 HydrophobicContact CZ-CG 4.35Å; F120-L152 HydrophobicContact CZ-CD2 4Å; F120-A169 HydrophobicContact CB-CB 4Å; F120-A169 HydrophobicContact CD2-CB 3.11Å; F120-A169 HydrophobicContact CE2-CB 3.6Å; F120-A169 HydrophobicContact CG-CB 3.74Å; F120-I176 HydrophobicContact CB-CD1 4.37Å; F120-I176 HydrophobicContact CB-CG2 4.21Å; F120-L178 HydrophobicContact CB-CD1 4.05Å; F120-L178 HydrophobicContact CD1-CD1 3.28Å; F120-L178 HydrophobicContact CD1-CG 4.39Å; F120-L178 HydrophobicContact CE1-CD1 4.04Å; F120-L178 HydrophobicContact CG-CD1 4.08Å
121D58.6Low67.9Low44 Ų4473.9 Ų73.924%0.23537%0.374CS..THydrogen-bonded Turntrans-79.711.3168.564.9-3000112.8L119 T123 I176L119-D121 WeakPolarHBondContact CB-OD1 3.4Å; L119-D121 PolarHBondContact O-N 2.88Å; D121-T123 VanDerWaalsContact CG-CG2 3.49Å; D121-T123 VanDerWaalsContact CG-OG1 3.28Å; D121-T123 PolarHBondContact O-N 2.85Å; D121-T123 VanDerWaalsContact O-N 3.17Å; D121-T123 VanDerWaalsContact OD1-CB 3.25Å; D121-T123 WeakPolarHBondContact OD1-CB 3.35Å; D121-T123 WeakPolarHBondContact OD1-CG2 3.25Å; D121-T123 PolarHBondContact OD1-N 3.21Å; D121-T123 PolarHBondContact OD1-OG1 2.82Å; D121-T123 WeakPolarHBondContact OD2-CG2 3.22Å; D121-T123 PolarHBondContact OD2-OG1 3.19Å; D121-I176 HydrophobicContact CB-CD1 3.85Å
122R58.9Low68.2Low179 Ų17970.4 Ų70.468%0.67536%0.362SS*.SBendtrans62.87.9-173.6-52.2-176.2-178.9-152.91.2114.2L119 F120 S188L119-R122 WeakPolarHBondContact O-CA 3.23Å; L119-R122 PolarHBondContact O-N 3.24Å; F120-R122 PolarHBondContact O-N 3.06Å; R122-S188 PolarHBondContact NH2-O 3.33Å
123T65.7Low68.3Low59 Ų5968.2 Ų68.236%0.36234%0.344SS..  trans-72.8151.7170.267.30000109.7L119 D121L119-T123 WeakPolarHBondContact CD1-OG1 3.43Å; L119-T123 PolarHBondContact N-O 2.63Å; D121-T123 VanDerWaalsContact CG-CG2 3.49Å; D121-T123 VanDerWaalsContact CG-OG1 3.28Å; D121-T123 PolarHBondContact O-N 2.85Å; D121-T123 VanDerWaalsContact O-N 3.17Å; D121-T123 VanDerWaalsContact OD1-CB 3.25Å; D121-T123 WeakPolarHBondContact OD1-CB 3.35Å; D121-T123 WeakPolarHBondContact OD1-CG2 3.25Å; D121-T123 PolarHBondContact OD1-N 3.21Å; D121-T123 PolarHBondContact OD1-OG1 2.82Å; D121-T123 WeakPolarHBondContact OD2-CG2 3.22Å; D121-T123 PolarHBondContact OD2-OG1 3.19Å
124K72.2Confident67.6Low155 Ų15568.4 Ų68.467%0.67435%0.35SS*.EExtended strand (participates in β ladder)trans-115.5140.6171.368.2179.3-176.4178.40108.4V117 Y118V117-K124 WeakPolarHBondContact O-CA 3.45Å; Y118-K124 HydrophobicContact CD1-CB 4.04Å; Y118-K124 HydrophobicContact CE1-CB 4.11Å
125F72.3Confident67.2Low26 Ų2668.1 Ų68.111%0.11436%0.357CS..EExtended strand (participates in β ladder)trans-131.9162.3164.472.2-74.7000108.2V117 L119 V127 Q145 T146V117-F125 HydrophobicContact CB-CD1 4.05Å; V117-F125 HydrophobicContact CB-CE1 3.31Å; V117-F125 HydrophobicContact CB-CE2 4.13Å; V117-F125 HydrophobicContact CB-CZ 3.36Å; V117-F125 HydrophobicContact CG1-CD1 4.37Å; V117-F125 HydrophobicContact CG1-CE1 3.31Å; V117-F125 HydrophobicContact CG1-CZ 3.46Å; V117-F125 VanDerWaalsContact CG1-CZ 3.46Å; V117-F125 HydrophobicContact CG2-CE1 4.34Å; V117-F125 HydrophobicContact CG2-CE2 4.39Å; V117-F125 HydrophobicContact CG2-CZ 3.91Å; V117-F125 PolarHBondContact N-O 3.03Å; V117-F125 WeakPolarHBondContact O-CD1 3.28Å; V117-F125 PolarHBondContact O-N 3.28Å; L119-F125 HydrophobicContact CD1-CD1 3.74Å; L119-F125 HydrophobicContact CD1-CE1 4.02Å; L119-F125 HydrophobicContact CD2-CD1 4.11Å; L119-F125 HydrophobicContact CD2-CE1 3.57Å; L119-F125 HydrophobicContact CG-CD1 3.78Å; L119-F125 HydrophobicContact CG-CE1 3.77Å; F125-V127 HydrophobicContact CD2-CG2 4.08Å; F125-V127 HydrophobicContact CE2-CG2 3.32Å; F125-V127 HydrophobicContact CZ-CG2 3.96Å; F125-Q145 HydrophobicContact CD2-CB 3.56Å; F125-Q145 HydrophobicContact CD2-CG 4.23Å; F125-Q145 HydrophobicContact CE2-CB 3.69Å; F125-Q145 HydrophobicContact CE2-CG 4.45Å; F125-Q145 HydrophobicContact CG-CB 4.38Å; F125-T146 WeakPolarHBondContact CD1-OG1 3.38Å; F125-T146 WeakPolarHBondContact CE1-OG1 3.49Å; F125-T146 WeakPolarHBondContact CE2-OG1 3.41Å; F125-T146 WeakPolarHBondContact CZ-OG1 3.1Å
126T76.1Confident66.6Low56 Ų5666.8 Ų66.834%0.34436%0.361SS..EExtended strand (participates in β ladder)trans-112122.5-174.9-560000109.3Q114 Q145Q114-T126 HydrophobicContact CB-CG2 3.36Å; Q114-T126 HydrophobicContact CG-CG2 3.6Å; T126-Q145 PolarHBondContact O-NE2 3.17Å; T126-Q145 VanDerWaalsContact O-NE2 3.09Å; T126-Q145 PolarHBondContact O-OE1 3.12Å
127V77.6Confident66.3Low0 Ų067 Ų670%036%0.361CS..EExtended strand (participates in β ladder)trans-88.8121.8172.6-178.80000107.8Q114 L115 V117 F125 C129 V138 A141 S142Q114-V127 WeakPolarHBondContact CA-O 3.39Å; L115-V127 HydrophobicContact CB-CB 4.43Å; L115-V127 PolarHBondContact N-O 3.34Å; L115-V127 PolarHBondContact O-N 3.33Å; V117-V127 HydrophobicContact CB-CG2 4.47Å; V117-V127 HydrophobicContact CG2-CB 4.41Å; V117-V127 HydrophobicContact CG2-CG2 3.57Å; F125-V127 HydrophobicContact CD2-CG2 4.08Å; F125-V127 HydrophobicContact CE2-CG2 3.32Å; F125-V127 HydrophobicContact CZ-CG2 3.96Å; V127-C129 HydrophobicContact CG1-CB 4.43Å; V127-C129 PolarHBondContact O-N 3.2Å; V127-V138 HydrophobicContact CG1-CG1 4.25Å; V127-A141 HydrophobicContact CG1-CB 3.65Å; V127-S142 VanDerWaalsContact CG2-CB 3.49Å
128P75.3Confident66.3Low78 Ų7866.5 Ų66.551%0.50636%0.358SS..EExtended strand (participates in β ladder)trans-65.8118.9164.828.5-30.9000107.6N113N113-P128 WeakPolarHBondContact O-CA 3.22Å
129C74.5Confident66.4Low18 Ų1862.2 Ų62.212%0.12235%0.346CS..  trans-146.1148.4175.265.10000110.4N113 L115 V127 D133 V138N113-C129 CarbonylContact C-O 3.33Å; N113-C129 VanDerWaalsContact C-O 3.24Å; N113-C129 WeakPolarHBondContact CA-O 3.24Å; N113-C129 PolarHBondContact O-N 3.49Å; N113-C129 VanDerWaalsContact O-N 3.07Å; L115-C129 WeakPolarHBondContact CB-SG 3.14Å; V127-C129 HydrophobicContact CG1-CB 4.43Å; V127-C129 PolarHBondContact O-N 3.2Å; C129-D133 WeakPolarHBondContact CA-OD2 3.35Å; C129-V138 HydrophobicContact CB-CG1 4.2Å; C129-V138 HydrophobicContact CB-CG2 3.86Å
130F69.7Low66.6Low111 Ų11166.4 Ų66.449%0.48737%0.365SS..  trans-104.4146.6175.8-58.2-82.5000109.5N113 G132 D133N113-F130 HydrophobicContact CB-CD1 4.36Å; N113-F130 HydrophobicContact CB-CE1 4.2Å; F130-G132 PolarHBondContact O-N 2.87Å; F130-D133 PolarHBondContact N-OD2 3.24Å; F130-D133 WeakPolarHBondContact O-CB 3.42Å; F130-D133 PolarHBondContact O-N 3.42Å
131P63Low67.3Low48 Ų4865.9 Ų65.931%0.31237%0.369SS..THydrogen-bonded Turntrans-52.6-9174.2-3336.3000117.1C104 S108 L111C104-P131 HydrophobicContact CB-CB 4.01Å; C104-P131 PolarHBondContact SG-O 2.95Å; C104-P131 VanDerWaalsContact SG-O 3.33Å; S108-P131 WeakPolarHBondContact OG-CB 3.17Å; S108-P131 WeakPolarHBondContact OG-CD 3.37Å; S108-P131 WeakPolarHBondContact OG-CG 3.47Å; L111-P131 HydrophobicContact CB-CG 4.15Å; L111-P131 HydrophobicContact CD1-CB 4.44Å; L111-P131 HydrophobicContact CD1-CG 3.85Å
132G60.8Low67.6Low27 Ų2764.6 Ų64.628%0.27836%0.363SS..THydrogen-bonded Turntrans-104.11.5172.800000115F130F130-G132 PolarHBondContact O-N 2.87Å
133D63.7Low67.5Low44 Ų4459.1 Ų59.124%0.23534%0.342CS..  trans-72.7133.3177.3-68.9-19.8000109.9C129 F130 V137 V138C129-D133 WeakPolarHBondContact CA-OD2 3.35Å; F130-D133 PolarHBondContact N-OD2 3.24Å; F130-D133 WeakPolarHBondContact O-CB 3.42Å; F130-D133 PolarHBondContact O-N 3.42Å; D133-V137 HydrophobicContact CB-CB 4.26Å; D133-V137 HydrophobicContact CB-CG1 4.01Å; D133-V138 HydrophobicContact CB-CG2 3.57Å
134S59.5Low67Low71 Ų7160.4 Ų60.450%0.49735%0.354SS..  trans-65.7156.2172.8720000110.9G136 V137 V138S134-G136 PolarHBondContact O-N 3.29Å; S134-G136 VanDerWaalsContact O-N 3.11Å; S134-V137 PolarHBondContact O-N 3.48Å; S134-V137 WeakPolarHBondContact OG-CG2 2.76Å; S134-V137 PolarHBondContact OG-N 3.16Å; S134-V138 PolarHBondContact O-N 3.28Å
135T66.3Low66Low113 Ų11357 Ų5769%0.69334%0.34SS*.Hα-helixtrans-50.6-38.9173.4-510000111.7L139T135-L139 HydrophobicContact CG2-CD1 3.83Å; T135-L139 HydrophobicContact CG2-CG 4.23Å; T135-L139 WeakPolarHBondContact O-CB 2.79Å; T135-L139 WeakPolarHBondContact O-CG 3.23Å; T135-L139 PolarHBondContact O-N 2.9Å
136G65.3Low65Low46 Ų4656.2 Ų56.247%0.47434%0.338SS..Hα-helixtrans-63.1-41.2176.900000113.8S134 E140S134-G136 PolarHBondContact O-N 3.29Å; S134-G136 VanDerWaalsContact O-N 3.11Å; G136-E140 WeakPolarHBondContact O-CB 3.45Å; G136-E140 PolarHBondContact O-N 3.32Å
137V67.7Low63.9Low68 Ų6858.5 Ų58.541%0.41234%0.343SS..Hα-helixtrans-68.2-46.3178.6170.80000111.1D133 S134 L139 E140 A141D133-V137 HydrophobicContact CB-CB 4.26Å; D133-V137 HydrophobicContact CB-CG1 4.01Å; S134-V137 PolarHBondContact O-N 3.48Å; S134-V137 WeakPolarHBondContact OG-CG2 2.76Å; S134-V137 PolarHBondContact OG-N 3.16Å; V137-L139 VanDerWaalsContact C-N 3.32Å; V137-L139 PolarHBondContact O-N 3.48Å; V137-E140 PolarHBondContact O-N 3Å; V137-A141 PolarHBondContact O-N 2.88Å
138V69.9Low62.3Low26 Ų2659 Ų5916%0.15835%0.346CS..Hα-helixtrans-63.6-42.1177.3-178.40000110.7L115 V127 C129 D133 S134 A141 S142L115-V138 HydrophobicContact CD2-CG1 3.71Å; V127-V138 HydrophobicContact CG1-CG1 4.25Å; C129-V138 HydrophobicContact CB-CG1 4.2Å; C129-V138 HydrophobicContact CB-CG2 3.86Å; D133-V138 HydrophobicContact CB-CG2 3.57Å; S134-V138 PolarHBondContact O-N 3.28Å; V138-A141 PolarHBondContact O-N 3.22Å; V138-S142 WeakPolarHBondContact O-CB 3.41Å; V138-S142 PolarHBondContact O-N 2.88Å
139L66.2Low61.2Low78 Ų7856.8 Ų56.841%0.40833%0.328SS..Hα-helixtrans-60-53.5174-77.7176.3000110.1T135 V137 A141 S142 W143T135-L139 HydrophobicContact CG2-CD1 3.83Å; T135-L139 HydrophobicContact CG2-CG 4.23Å; T135-L139 WeakPolarHBondContact O-CB 2.79Å; T135-L139 WeakPolarHBondContact O-CG 3.23Å; T135-L139 PolarHBondContact O-N 2.9Å; V137-L139 VanDerWaalsContact C-N 3.32Å; V137-L139 PolarHBondContact O-N 3.48Å; L139-A141 VanDerWaalsContact C-N 3.31Å; L139-A141 PolarHBondContact O-N 3.05Å; L139-S142 WeakPolarHBondContact CA-OG 3.35Å; L139-S142 CarbonylContact O-C 3.49Å; L139-S142 WeakPolarHBondContact O-CA 3.5Å; L139-S142 WeakPolarHBondContact O-CB 3.41Å; L139-S142 PolarHBondContact O-N 2.96Å; L139-S142 PolarHBondContact O-OG 3.15Å; L139-W143 VanDerWaalsContact O-CG 3.28Å; L139-W143 PolarHBondContact O-N 3.11Å; L139-W143 PolarHBondContact O-NE1 2.85Å
140E63.6Low59.8Low104 Ų10459.5 Ų59.549%0.48635%0.345SS..Hα-helixtrans-55.7-42179.8-174.7156.7-121.100113.8G136 V137 S142 W143 S144 K266G136-E140 WeakPolarHBondContact O-CB 3.45Å; G136-E140 PolarHBondContact O-N 3.32Å; V137-E140 PolarHBondContact O-N 3Å; E140-S142 VanDerWaalsContact C-N 3.3Å; E140-S142 PolarHBondContact O-N 3.5Å; E140-W143 PolarHBondContact O-N 3.01Å; E140-S144 PolarHBondContact O-N 3.09Å; E140-S144 PolarHBondContact O-OG 3.5Å; E140-K266 IonicContact OE1-NZ 3.78Å; E140-K266 PolarHBondContact OE1-NZ 3.27Å
141A66.6Low59Low33 Ų3354.5 Ų54.527%0.27332%0.324SS..Hα-helixtrans-62.5-36.9173.500000112.3V127 V137 V138 L139V127-A141 HydrophobicContact CG1-CB 3.65Å; V137-A141 PolarHBondContact O-N 2.88Å; V138-A141 PolarHBondContact O-N 3.22Å; L139-A141 VanDerWaalsContact C-N 3.31Å; L139-A141 PolarHBondContact O-N 3.05Å
142S63.9Low58.1Low16 Ų1657.2 Ų57.211%0.11234%0.335CS..Hα-helixtrans-71.5-33.6175.380.80000113.3V127 V138 L139 E140 S144 Q145 T146V127-S142 VanDerWaalsContact CG2-CB 3.49Å; V138-S142 WeakPolarHBondContact O-CB 3.41Å; V138-S142 PolarHBondContact O-N 2.88Å; L139-S142 WeakPolarHBondContact CA-OG 3.35Å; L139-S142 CarbonylContact O-C 3.49Å; L139-S142 WeakPolarHBondContact O-CA 3.5Å; L139-S142 WeakPolarHBondContact O-CB 3.41Å; L139-S142 PolarHBondContact O-N 2.96Å; L139-S142 PolarHBondContact O-OG 3.15Å; E140-S142 VanDerWaalsContact C-N 3.3Å; E140-S142 PolarHBondContact O-N 3.5Å; S142-S144 VanDerWaalsContact C-N 3.34Å; S142-S144 PolarHBondContact O-N 2.99Å; S142-Q145 PolarHBondContact O-N 2.88Å; S142-T146 VanDerWaalsContact O-CB 3.23Å; S142-T146 WeakPolarHBondContact O-CB 3.37Å; S142-T146 PolarHBondContact O-N 2.73Å; S142-T146 PolarHBondContact O-OG1 2.89Å
143W58.7Low57.4Low64 Ų6466.1 Ų66.124%0.24236%0.36CS..Hα-helixtrans-68-38.8-176.5-66.418.7000110.8L139 E140 Q145 T146 F147 F149 K266L139-W143 VanDerWaalsContact O-CG 3.28Å; L139-W143 PolarHBondContact O-N 3.11Å; L139-W143 PolarHBondContact O-NE1 2.85Å; E140-W143 PolarHBondContact O-N 3.01Å; W143-Q145 PolarHBondContact O-N 2.81Å; W143-T146 PolarHBondContact O-N 3.38Å; W143-F147 PolarHBondContact O-N 3.01Å; W143-F149 HydrophobicContact CD2-CE1 4.48Å; W143-F149 AromaticContact CE3-CE1 3.9Å; W143-F149 HydrophobicContact CE3-CE1 3.9Å; W143-F149 HydrophobicContact CE3-CZ 4.36Å; W143-F149 HydrophobicContact CH2-CE1 4.31Å; W143-F149 AromaticContact CZ3-CE1 3.79Å; W143-F149 HydrophobicContact CZ3-CE1 3.79Å; W143-F149 HydrophobicContact CZ3-CZ 4.49Å; W143-K266 HydrophobicContact CH2-CG 3.99Å; W143-K266 HydrophobicContact CZ3-CG 3.78Å
144S55.2Low56.6Low87 Ų8764.7 Ų64.761%0.60835%0.353SS*.Hα-helixtrans-59.7-28.1177-57.40000112.6E140 S142E140-S144 PolarHBondContact O-N 3.09Å; E140-S144 PolarHBondContact O-OG 3.5Å; S142-S144 VanDerWaalsContact C-N 3.34Å; S142-S144 PolarHBondContact O-N 2.99Å
145Q50.9Low55.9Low83 Ų8370 Ų7039%0.38837%0.367SS..Hα-helixtrans-97.5-22.9-178.6-64.3-166.355.200113.6F125 T126 S142 W143F125-Q145 HydrophobicContact CD2-CB 3.56Å; F125-Q145 HydrophobicContact CD2-CG 4.23Å; F125-Q145 HydrophobicContact CE2-CB 3.69Å; F125-Q145 HydrophobicContact CE2-CG 4.45Å; F125-Q145 HydrophobicContact CG-CB 4.38Å; T126-Q145 PolarHBondContact O-NE2 3.17Å; T126-Q145 VanDerWaalsContact O-NE2 3.09Å; T126-Q145 PolarHBondContact O-OE1 3.12Å; S142-Q145 PolarHBondContact O-N 2.88Å; W143-Q145 PolarHBondContact O-N 2.81Å
146T51.3Low55Low9 Ų965.6 Ų65.66%0.05534%0.341CS..Hα-helixtrans-105.2-37.9-163.4-73.70000115.3L119 F125 S142 W143 L148 K172L119-T146 HydrophobicContact CD1-CG2 4.12Å; L119-T146 HydrophobicContact CD2-CG2 3.19Å; L119-T146 HydrophobicContact CG-CG2 4.29Å; F125-T146 WeakPolarHBondContact CD1-OG1 3.38Å; F125-T146 WeakPolarHBondContact CE1-OG1 3.49Å; F125-T146 WeakPolarHBondContact CE2-OG1 3.41Å; F125-T146 WeakPolarHBondContact CZ-OG1 3.1Å; S142-T146 VanDerWaalsContact O-CB 3.23Å; S142-T146 WeakPolarHBondContact O-CB 3.37Å; S142-T146 PolarHBondContact O-N 2.73Å; S142-T146 PolarHBondContact O-OG1 2.89Å; W143-T146 PolarHBondContact O-N 3.38Å; T146-L148 HydrophobicContact CG2-CB 3.66Å; T146-L148 HydrophobicContact CG2-CG 4.48Å; T146-L148 WeakPolarHBondContact CG2-O 3.35Å; T146-L148 PolarHBondContact O-N 3.47Å; T146-K172 VanDerWaalsContact O-CE 3.23Å; T146-K172 WeakPolarHBondContact O-CE 3.35Å
147F51.5Low54.4Low104 Ų10463.4 Ų63.446%0.45632%0.318SS..  trans46.72.2-172.8-68.1-75.6000116.8W143 G171 K172 P258W143-F147 PolarHBondContact O-N 3.01Å; F147-G171 WeakPolarHBondContact O-CA 3.12Å; F147-K172 HydrophobicContact CB-CG 4.14Å; F147-P258 HydrophobicContact CE1-CB 4.08Å
148L45.6Very low53.5Low12 Ų1265.3 Ų65.36%0.06332%0.319CS..PPolyproline II helixtrans-102.5118.6178.6-70.3159.8000108.7L119 T146 P150 V170 G171 K172 I176L119-L148 HydrophobicContact CB-CD1 4.32Å; L119-L148 HydrophobicContact CD1-CD1 4.08Å; L119-L148 HydrophobicContact CD2-CD1 4.46Å; T146-L148 HydrophobicContact CG2-CB 3.66Å; T146-L148 HydrophobicContact CG2-CG 4.48Å; T146-L148 WeakPolarHBondContact CG2-O 3.35Å; T146-L148 PolarHBondContact O-N 3.47Å; L148-P150 WeakPolarHBondContact O-CD 3.38Å; L148-V170 WeakPolarHBondContact CA-O 3.45Å; L148-G171 WeakPolarHBondContact CD2-O 3.12Å; L148-K172 HydrophobicContact CD1-CD 4.32Å; L148-K172 HydrophobicContact CG-CG 4.46Å; L148-I176 HydrophobicContact CD2-CD1 4.13Å
149F51.2Low52.6Low31 Ų3166 Ų6614%0.13632%0.319CS..EExtended strand (participates in β ladder)trans-93117.8175.2-66.6-89.8000109.6W143 I151 A169 V170 V261 M265W143-F149 HydrophobicContact CD2-CE1 4.48Å; W143-F149 AromaticContact CE3-CE1 3.9Å; W143-F149 HydrophobicContact CE3-CE1 3.9Å; W143-F149 HydrophobicContact CE3-CZ 4.36Å; W143-F149 HydrophobicContact CH2-CE1 4.31Å; W143-F149 AromaticContact CZ3-CE1 3.79Å; W143-F149 HydrophobicContact CZ3-CE1 3.79Å; W143-F149 HydrophobicContact CZ3-CZ 4.49Å; F149-I151 PolarHBondContact O-N 3.45Å; F149-A169 WeakPolarHBondContact O-CA 3.34Å; F149-V170 PolarHBondContact N-O 3.42Å; F149-V170 PolarHBondContact O-N 3.01Å; F149-V261 HydrophobicContact CE2-CG1 4.13Å; F149-M265 HydrophobicContact CB-SD 3.91Å; F149-M265 HydrophobicContact CD1-CE 3.92Å; F149-M265 HydrophobicContact CD1-SD 3.41Å; F149-M265 WeakPolarHBondContact CD1-SD 3.12Å; F149-M265 HydrophobicContact CD2-CE 3.28Å; F149-M265 HydrophobicContact CD2-SD 3.7Å; F149-M265 HydrophobicContact CE1-CB 4.18Å; F149-M265 HydrophobicContact CE1-CE 3.84Å; F149-M265 HydrophobicContact CE1-SD 3.77Å; F149-M265 HydrophobicContact CE2-CE 3.18Å; F149-M265 HydrophobicContact CE2-SD 4.03Å; F149-M265 HydrophobicContact CG-CE 3.65Å; F149-M265 HydrophobicContact CG-SD 3.37Å; F149-M265 WeakPolarHBondContact CG-SD 3.33Å; F149-M265 HydrophobicContact CZ-CE 3.47Å; F149-M265 VanDerWaalsContact CZ-CE 3.47Å; F149-M265 HydrophobicContact CZ-SD 4.06Å
150P45.8Very low52Low74 Ų7465.4 Ų65.448%0.48132%0.32SS..EExtended strand (participates in β ladder)trans-64.8121168.1-17.530.3000110.9F120 L148 L152F120-P150 HydrophobicContact CE2-CB 3.47Å; F120-P150 VanDerWaalsContact CE2-CB 3.47Å; F120-P150 HydrophobicContact CE2-CG 3.77Å; F120-P150 HydrophobicContact CZ-CB 3.72Å; F120-P150 HydrophobicContact CZ-CG 4.35Å; L148-P150 WeakPolarHBondContact O-CD 3.38Å; P150-L152 HydrophobicContact CB-CD1 4.21Å; P150-L152 HydrophobicContact CB-CD2 4.04Å; P150-L152 HydrophobicContact CB-CG 3.77Å
151I52.2Low51.8Low7 Ų762.5 Ų62.54%0.03632%0.315CS..EExtended strand (participates in β ladder)trans-103.792.8170.1-75.5176.9000105.7F149 R153 A168 V170 Q228 L231 I232F149-I151 PolarHBondContact O-N 3.45Å; I151-R153 PolarHBondContact O-N 3.18Å; I151-A168 WeakPolarHBondContact CB-O 3.32Å; I151-A168 PolarHBondContact N-O 3.23Å; I151-V170 HydrophobicContact CD1-CG2 4.14Å; I151-Q228 HydrophobicContact CG2-CB 3.69Å; I151-Q228 HydrophobicContact CG2-CG 4.32Å; I151-L231 HydrophobicContact CD1-CB 4.44Å; I151-I232 HydrophobicContact CD1-CB 4.32Å; I151-I232 HydrophobicContact CD1-CD1 4.25Å; I151-I232 HydrophobicContact CD1-CG1 3.28Å; I151-I232 HydrophobicContact CG2-CD1 4.25Å; I151-I232 HydrophobicContact CG2-CG1 4.33Å
152L44.2Very low51.6Low105 Ų10565 Ų6555%0.5533%0.328SS..  trans-87.75.3-160.4-74.5177.1000115.5F120 P150F120-L152 HydrophobicContact CZ-CD2 4Å; P150-L152 HydrophobicContact CB-CD1 4.21Å; P150-L152 HydrophobicContact CB-CD2 4.04Å; P150-L152 HydrophobicContact CB-CG 3.77Å
153R45.5Very low51.5Low214 Ų21469.1 Ų69.181%0.80835%0.349SS*.  trans-141.895.9178.5-64.3-168.3-169.8-164.55.5112.9I151I151-R153 PolarHBondContact O-N 3.18Å
154N46.9Very low52Low14 Ų1467.1 Ų67.18%0.07534%0.344CS..  trans-119.7141171.6-69.45.3000110.1F157 S226N154-F157 HydrophobicContact CB-CD2 4.39Å; N154-F157 HydrophobicContact CB-CE2 3.37Å; N154-F157 HydrophobicContact CB-CZ 3.81Å; N154-F157 WeakPolarHBondContact ND2-CZ 3.36Å; N154-S226 WeakPolarHBondContact OD1-CB 3.29Å; N154-S226 PolarHBondContact OD1-OG 3.36Å
155K44.8Very low52.6Low183 Ų18369.7 Ų69.780%0.79634%0.344SS*.SBendtrans-101.9-4.2-175.1-93.9-170.5175.5-175.60115.2
156S48.7Very low53.6Low20 Ų2065.9 Ų65.914%0.1433%0.327CS..EExtended strand (participates in β ladder)trans174.6141.4171.242.90000111.5K225S156-K225 WeakPolarHBondContact O-CA 3.37Å; S156-K225 WeakPolarHBondContact O-CB 3.32Å; S156-K225 WeakPolarHBondContact O-CG 3.35Å; S156-K225 PolarHBondContact O-N 3.41Å; S156-K225 VanDerWaalsContact O-N 3.14Å; S156-K225 VanDerWaalsContact OG-CD 3.32Å; S156-K225 WeakPolarHBondContact OG-CD 3.29Å
157F51.3Low54.7Low0 Ų069.7 Ų69.70%034%0.344CS..EExtended strand (participates in β ladder)trans-116.9159.9172.9-68.6-115.1000110.7N154 A161 P162 N163 T164 A166 A168 I177 L224N154-F157 HydrophobicContact CB-CD2 4.39Å; N154-F157 HydrophobicContact CB-CE2 3.37Å; N154-F157 HydrophobicContact CB-CZ 3.81Å; N154-F157 WeakPolarHBondContact ND2-CZ 3.36Å; F157-A161 VanDerWaalsContact O-O 3.13Å; F157-P162 CarbonylContact O-C 3.52Å; F157-N163 WeakPolarHBondContact O-CA 3.29Å; F157-N163 PolarHBondContact O-N 3.07Å; F157-T164 WeakPolarHBondContact CD2-O 3.33Å; F157-T164 PolarHBondContact N-O 3.35Å; F157-T164 PolarHBondContact O-N 2.81Å; F157-A166 HydrophobicContact CB-CB 4.38Å; F157-A166 HydrophobicContact CD1-CB 3.93Å; F157-A166 HydrophobicContact CD2-CB 3.2Å; F157-A166 HydrophobicContact CE1-CB 3.87Å; F157-A166 VanDerWaalsContact CE2-CA 3.43Å; F157-A166 HydrophobicContact CE2-CB 3.17Å; F157-A166 WeakPolarHBondContact CE2-O 3.46Å; F157-A166 HydrophobicContact CG-CB 3.6Å; F157-A166 HydrophobicContact CZ-CB 3.47Å; F157-A166 VanDerWaalsContact CZ-CB 3.47Å; F157-A166 WeakPolarHBondContact CZ-O 3.29Å; F157-A168 HydrophobicContact CE1-CB 4.38Å; F157-A168 HydrophobicContact CZ-CB 4.24Å; F157-I177 HydrophobicContact CD1-CD1 4.26Å; F157-I177 HydrophobicContact CD1-CG2 3.82Å; F157-I177 HydrophobicContact CE1-CD1 4.27Å; F157-I177 HydrophobicContact CE1-CG1 4.34Å; F157-I177 HydrophobicContact CE1-CG2 3.69Å; F157-I177 HydrophobicContact CZ-CG2 4.4Å; F157-L224 HydrophobicContact CD1-CB 4.26Å; F157-L224 HydrophobicContact CD1-CD2 3.39Å; F157-L224 HydrophobicContact CD1-CG 4.38Å; F157-L224 HydrophobicContact CE1-CB 4.2Å; F157-L224 HydrophobicContact CE1-CD2 3.56Å; F157-L224 HydrophobicContact CE1-CG 4.31Å
158Y50.5Low55.9Low107 Ų10764.8 Ų64.842%0.4232%0.322SS..EExtended strand (participates in β ladder)trans-103.133.2166-74.5-86.7000112.4A161 P162 T223 K225Y158-A161 CarbonylContact C-O 3.47Å; Y158-P162 HydrophobicContact CD1-CB 3.66Å; Y158-P162 HydrophobicContact CD1-CG 3.94Å; Y158-P162 HydrophobicContact CE1-CB 3.73Å; Y158-P162 HydrophobicContact CE1-CG 4.27Å; Y158-T223 HydrophobicContact CD2-CG2 4.2Å; Y158-T223 PolarHBondContact N-O 2.58Å; Y158-T223 VanDerWaalsContact N-O 3.09Å; Y158-K225 HydrophobicContact CE2-CD 4.03Å; Y158-K225 HydrophobicContact CE2-CG 4.47Å; Y158-K225 PolarHBondContact OH-NZ 3.18Å
159F50.1Low57.4Low40 Ų4064.2 Ų64.218%0.17532%0.32CS..SBendtrans-154.8135.3173.2-170.9-85.2000110.1A161 Y179 S191 F193 I222F159-A161 VanDerWaalsContact C-N 3.3Å; F159-A161 PolarHBondContact N-O 2.84Å; F159-Y179 HydrophobicContact CE1-CE1 4.45Å; F159-S191 VanDerWaalsContact CE1-OG 3.31Å; F159-S191 WeakPolarHBondContact CE1-OG 3.41Å; F159-F193 HydrophobicContact CD1-CZ 4.29Å; F159-F193 HydrophobicContact CE1-CZ 4.28Å; F159-I222 HydrophobicContact CB-CG2 4.05Å
160P53.9Low58.7Low66 Ų6662.8 Ų62.843%0.42931%0.314SS..SBendcis-75-12.4-1.435.4-40.9000113.6Y179P160-Y179 HydrophobicContact CB-CE2 4.27Å; P160-Y179 VanDerWaalsContact CD-CD2 3.44Å; P160-Y179 VanDerWaalsContact CD-CE2 3.49Å; P160-Y179 HydrophobicContact CG-CD2 3.65Å; P160-Y179 HydrophobicContact CG-CE1 4.38Å; P160-Y179 HydrophobicContact CG-CE2 3.35Å; P160-Y179 HydrophobicContact CG-CG 4.29Å
161A59.7Low60.2Low44 Ų4459.5 Ų59.536%0.36429%0.293SS..SBendtrans-133.3161174.300000110.3F157 Y158 F159 T164F157-A161 VanDerWaalsContact O-O 3.13Å; Y158-A161 CarbonylContact C-O 3.47Å; F159-A161 VanDerWaalsContact C-N 3.3Å; F159-A161 PolarHBondContact N-O 2.84Å; A161-T164 PolarHBondContact O-OG1 2.79Å
162P61.6Low61.5Low85 Ų8563.7 Ų63.755%0.55231%0.311SS*.EExtended strand (participates in β ladder)trans-54.8140.4169.2-24.634.4000112.2F157 Y158 T164F157-P162 CarbonylContact O-C 3.52Å; Y158-P162 HydrophobicContact CD1-CB 3.66Å; Y158-P162 HydrophobicContact CD1-CG 3.94Å; Y158-P162 HydrophobicContact CE1-CB 3.73Å; Y158-P162 HydrophobicContact CE1-CG 4.27Å; P162-T164 PolarHBondContact O-N 2.84Å
163N62Low63.5Low103 Ų10362.5 Ų62.555%0.55130%0.301SS*.EExtended strand (participates in β ladder)trans61.918.7176.8-55.2-43.1000115.8F157 F165F157-N163 WeakPolarHBondContact O-CA 3.29Å; F157-N163 PolarHBondContact O-N 3.07Å; N163-F165 PolarHBondContact O-N 2.93Å
164T67.9Low65.4Low22 Ų2257 Ų5714%0.13528%0.281CS..EExtended strand (participates in β ladder)trans-67128.3171.9-51.60000110F157 A161 P162 A166 Y179F157-T164 WeakPolarHBondContact CD2-O 3.33Å; F157-T164 PolarHBondContact N-O 3.35Å; F157-T164 PolarHBondContact O-N 2.81Å; A161-T164 PolarHBondContact O-OG1 2.79Å; P162-T164 PolarHBondContact O-N 2.84Å; T164-A166 PolarHBondContact O-N 3.13Å; T164-Y179 HydrophobicContact CG2-CD2 4.43Å; T164-Y179 HydrophobicContact CG2-CG 4.24Å
165F68Low67.4Low140 Ų14056.3 Ų56.361%0.61428%0.277SS*.  trans-69.5125.6169.7-77.6-79.5000109.1N163N163-F165 PolarHBondContact O-N 2.93Å
166A73.3Confident69.2Low4 Ų447.7 Ų47.73%0.03324%0.24CC..EExtended strand (participates in β ladder)trans-140.3161.6179.500000112.3F157 T164 I177 L178F157-A166 HydrophobicContact CB-CB 4.38Å; F157-A166 HydrophobicContact CD1-CB 3.93Å; F157-A166 HydrophobicContact CD2-CB 3.2Å; F157-A166 HydrophobicContact CE1-CB 3.87Å; F157-A166 VanDerWaalsContact CE2-CA 3.43Å; F157-A166 HydrophobicContact CE2-CB 3.17Å; F157-A166 WeakPolarHBondContact CE2-O 3.46Å; F157-A166 HydrophobicContact CG-CB 3.6Å; F157-A166 HydrophobicContact CZ-CB 3.47Å; F157-A166 VanDerWaalsContact CZ-CB 3.47Å; F157-A166 WeakPolarHBondContact CZ-O 3.29Å; T164-A166 PolarHBondContact O-N 3.13Å; A166-I177 HydrophobicContact CB-CG2 3.67Å; A166-L178 CarbonylContact C-O 3.51Å; A166-L178 WeakPolarHBondContact CA-O 3.39Å; A166-L178 WeakPolarHBondContact CB-O 3.35Å
167H74.4Confident70.9Confident88 Ų8846.8 Ų46.841%0.40723%0.233SC..EExtended strand (participates in β ladder)trans-109.7138.3168.3-67.5-77.7000108.8I177 L178H167-I177 CarbonylContact O-C 3.42Å; H167-I177 WeakPolarHBondContact O-CA 3.45Å; H167-L178 HydrophobicContact CB-CB 4.35Å; H167-L178 PolarHBondContact N-O 2.83Å; H167-L178 PolarHBondContact O-N 2.86Å
168A76Confident72.1Confident1 Ų148.2 Ų48.21%0.00824%0.241CC..EExtended strand (participates in β ladder)trans-108.7142.4175.600000110.2I151 F157 L175 I176 I232I151-A168 WeakPolarHBondContact CB-O 3.32Å; I151-A168 PolarHBondContact N-O 3.23Å; F157-A168 HydrophobicContact CE1-CB 4.38Å; F157-A168 HydrophobicContact CZ-CB 4.24Å; A168-L175 HydrophobicContact CB-CD1 4.48Å; A168-I176 CarbonylContact C-O 3.57Å; A168-I176 VanDerWaalsContact CA-O 3.29Å; A168-I176 WeakPolarHBondContact CA-O 3.47Å; A168-I232 HydrophobicContact CB-CD1 4.38Å
169A77.7Confident73.3Confident1 Ų144.7 Ų44.71%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-137.5139.8170.900000110.3F120 F149 L175 I176F120-A169 HydrophobicContact CB-CB 4Å; F120-A169 HydrophobicContact CD2-CB 3.11Å; F120-A169 HydrophobicContact CE2-CB 3.6Å; F120-A169 HydrophobicContact CG-CB 3.74Å; F149-A169 WeakPolarHBondContact O-CA 3.34Å; A169-L175 CarbonylContact O-C 3.24Å; A169-L175 WeakPolarHBondContact O-CA 3.41Å; A169-I176 HydrophobicContact CB-CB 4.4Å; A169-I176 PolarHBondContact N-O 3.07Å; A169-I176 PolarHBondContact O-N 3.33Å
170V78Confident74.2Confident1 Ų146 Ų461%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-129.1128-171.5-165.40000109.7L148 F149 I151 L175 I232 C235 L236 M239L148-V170 WeakPolarHBondContact CA-O 3.45Å; F149-V170 PolarHBondContact N-O 3.42Å; F149-V170 PolarHBondContact O-N 3.01Å; I151-V170 HydrophobicContact CD1-CG2 4.14Å; V170-L175 HydrophobicContact CG2-CD1 3.77Å; V170-I232 HydrophobicContact CG2-CB 4.4Å; V170-I232 HydrophobicContact CG2-CG1 4.32Å; V170-I232 HydrophobicContact CG2-CG2 3.82Å; V170-C235 HydrophobicContact CB-CB 3.99Å; V170-C235 HydrophobicContact CG1-CB 3.45Å; V170-C235 VanDerWaalsContact CG1-CB 3.45Å; V170-L236 HydrophobicContact CG1-CD2 4.37Å; V170-M239 HydrophobicContact CG1-CE 3.24Å; V170-M239 HydrophobicContact CG1-SD 4.44Å
171G78.1Confident74.7Confident5 Ų544.9 Ų44.95%0.05224%0.235CC..EExtended strand (participates in β ladder)trans158.2170.5-17700000114.2F147 L148 K173 R174F147-G171 WeakPolarHBondContact O-CA 3.12Å; L148-G171 WeakPolarHBondContact CD2-O 3.12Å; G171-K173 PolarHBondContact O-N 2.91Å; G171-K173 VanDerWaalsContact O-N 3.11Å; G171-R174 PolarHBondContact N-O 3.13Å; G171-R174 CarbonylContact O-C 3.55Å; G171-R174 WeakPolarHBondContact O-CA 3.21Å; G171-R174 PolarHBondContact O-N 3.37Å
172K78.4Confident74.7Confident95 Ų9550.3 Ų50.341%0.41326%0.258SS..THydrogen-bonded Turntrans48.140.4-179.7-65.1-177.6172.7170.20113.3T146 F147 L148 R174T146-K172 VanDerWaalsContact O-CE 3.23Å; T146-K172 WeakPolarHBondContact O-CE 3.35Å; F147-K172 HydrophobicContact CB-CG 4.14Å; L148-K172 HydrophobicContact CD1-CD 4.32Å; L148-K172 HydrophobicContact CG-CG 4.46Å; K172-R174 PolarHBondContact O-N 3.23Å
173K85.7Confident74.5Confident79 Ų7954 Ų5434%0.34327%0.267SS..THydrogen-bonded Turntrans59.226.9-176.8-56.7176.8178.3176.20113.5G171 V195 M239 E242 I243G171-K173 PolarHBondContact O-N 2.91Å; G171-K173 VanDerWaalsContact O-N 3.11Å; K173-V195 WeakPolarHBondContact O-CG2 3.37Å; K173-V195 PolarHBondContact O-N 2.98Å; K173-M239 PolarHBondContact N-SD 2.9Å; K173-E242 WeakPolarHBondContact CE-OE1 3.21Å; K173-E242 IonicContact NZ-OE1 2.79Å; K173-E242 PolarHBondContact NZ-OE1 3.29Å; K173-E242 VanDerWaalsContact NZ-OE1 3.11Å; K173-I243 HydrophobicContact CB-CD1 4.31Å; K173-I243 HydrophobicContact CD-CD1 4.03Å; K173-I243 HydrophobicContact CD-CG1 3.69Å; K173-I243 HydrophobicContact CG-CD1 4.01Å; K173-I243 HydrophobicContact CG-CG1 4.11Å
174R86.5Confident73.8Confident99 Ų9956.7 Ų56.737%0.37429%0.287SS..EExtended strand (participates in β ladder)trans-136.7145.5-178.2-64.1171.8-175.3-172.61.7111.1G171 K172 V192 F193G171-R174 PolarHBondContact N-O 3.13Å; G171-R174 CarbonylContact O-C 3.55Å; G171-R174 WeakPolarHBondContact O-CA 3.21Å; G171-R174 PolarHBondContact O-N 3.37Å; K172-R174 PolarHBondContact O-N 3.23Å; R174-V192 HydrophobicContact CB-CG1 4.24Å; R174-V192 HydrophobicContact CG-CG1 4.11Å; R174-F193 CarbonylContact C-O 3.34Å; R174-F193 VanDerWaalsContact CA-O 3.28Å; R174-F193 WeakPolarHBondContact CA-O 3.5Å
175L88.3Confident73Confident0 Ų057.4 Ų57.40%030%0.299CS..EExtended strand (participates in β ladder)trans-110.1122.9163.2166.568.7000106.8A168 A169 V170 F193 F210 L224 I232A168-L175 HydrophobicContact CB-CD1 4.48Å; A169-L175 CarbonylContact O-C 3.24Å; A169-L175 WeakPolarHBondContact O-CA 3.41Å; V170-L175 HydrophobicContact CG2-CD1 3.77Å; L175-F193 HydrophobicContact CB-CB 4.22Å; L175-F193 PolarHBondContact N-O 3.12Å; L175-F193 PolarHBondContact O-N 2.85Å; L175-F210 HydrophobicContact CD2-CD1 4.18Å; L175-F210 HydrophobicContact CD2-CE1 3.46Å; L175-F210 VanDerWaalsContact CD2-CE1 3.46Å; L175-F210 HydrophobicContact CD2-CE2 4.46Å; L175-F210 HydrophobicContact CD2-CZ 3.62Å; L175-L224 HydrophobicContact CD1-CD1 4.41Å; L175-L224 HydrophobicContact CD2-CD1 4.14Å; L175-I232 HydrophobicContact CD1-CG2 4.25Å
176I83.4Confident72.4Confident2 Ų262.5 Ų62.51%0.0132%0.316CS..EExtended strand (participates in β ladder)trans-110.7129.6-178.1-55.3172.7000107.8F120 D121 L148 A168 A169 L178 S191 V192F120-I176 HydrophobicContact CB-CD1 4.37Å; F120-I176 HydrophobicContact CB-CG2 4.21Å; D121-I176 HydrophobicContact CB-CD1 3.85Å; L148-I176 HydrophobicContact CD2-CD1 4.13Å; A168-I176 CarbonylContact C-O 3.57Å; A168-I176 VanDerWaalsContact CA-O 3.29Å; A168-I176 WeakPolarHBondContact CA-O 3.47Å; A169-I176 HydrophobicContact CB-CB 4.4Å; A169-I176 PolarHBondContact N-O 3.07Å; A169-I176 PolarHBondContact O-N 3.33Å; I176-L178 HydrophobicContact CG2-CD2 4.3Å; I176-L178 HydrophobicContact CG2-CG 4.43Å; I176-S191 WeakPolarHBondContact CA-O 3.28Å; I176-V192 HydrophobicContact CG1-CG1 4.48Å; I176-V192 HydrophobicContact CG1-CG2 4.41Å
177I84.8Confident71.7Confident0 Ų066.5 Ų66.50%034%0.343CS..EExtended strand (participates in β ladder)trans-117123174.8-55.3-178.7000108.2F157 A166 H167 Y179 S190 S191 F193 I222 L224F157-I177 HydrophobicContact CD1-CD1 4.26Å; F157-I177 HydrophobicContact CD1-CG2 3.82Å; F157-I177 HydrophobicContact CE1-CD1 4.27Å; F157-I177 HydrophobicContact CE1-CG1 4.34Å; F157-I177 HydrophobicContact CE1-CG2 3.69Å; F157-I177 HydrophobicContact CZ-CG2 4.4Å; A166-I177 HydrophobicContact CB-CG2 3.67Å; H167-I177 CarbonylContact O-C 3.42Å; H167-I177 WeakPolarHBondContact O-CA 3.45Å; I177-Y179 HydrophobicContact CG2-CD1 4.39Å; I177-S190 CarbonylContact O-C 3.57Å; I177-S190 WeakPolarHBondContact O-CA 3.4Å; I177-S191 PolarHBondContact N-O 3.47Å; I177-S191 PolarHBondContact O-N 2.83Å; I177-F193 HydrophobicContact CB-CE2 4.19Å; I177-F193 HydrophobicContact CD1-CD2 3.96Å; I177-F193 HydrophobicContact CD1-CE2 3.44Å; I177-F193 VanDerWaalsContact CD1-CE2 3.44Å; I177-F193 HydrophobicContact CD1-CZ 4.3Å; I177-F193 HydrophobicContact CG1-CD2 4.06Å; I177-F193 HydrophobicContact CG1-CE2 3.76Å; I177-I222 HydrophobicContact CD1-CG2 4.41Å; I177-L224 HydrophobicContact CD1-CD2 3.36Å; I177-L224 HydrophobicContact CG1-CD2 4.35Å
178L75.7Confident71.4Confident31 Ų3165.3 Ų65.316%0.16235%0.345CS..EExtended strand (participates in β ladder)trans-110.4128.7176.7-64.5-179.6000110.3F120 A166 H167 I176 S189F120-L178 HydrophobicContact CB-CD1 4.05Å; F120-L178 HydrophobicContact CD1-CD1 3.28Å; F120-L178 HydrophobicContact CD1-CG 4.39Å; F120-L178 HydrophobicContact CE1-CD1 4.04Å; F120-L178 HydrophobicContact CG-CD1 4.08Å; A166-L178 CarbonylContact C-O 3.51Å; A166-L178 WeakPolarHBondContact CA-O 3.39Å; A166-L178 WeakPolarHBondContact CB-O 3.35Å; H167-L178 HydrophobicContact CB-CB 4.35Å; H167-L178 PolarHBondContact N-O 2.83Å; H167-L178 PolarHBondContact O-N 2.86Å; I176-L178 HydrophobicContact CG2-CD2 4.3Å; I176-L178 HydrophobicContact CG2-CG 4.43Å; L178-S189 WeakPolarHBondContact CA-O 3.49Å
179Y74.7Confident71.5Confident32 Ų3267.1 Ų67.113%0.12536%0.358CS..EExtended strand (participates in β ladder)trans-135.8148.417948.7-84.4000111.1F159 P160 T164 I177 S188 S189 S191F159-Y179 HydrophobicContact CE1-CE1 4.45Å; P160-Y179 HydrophobicContact CB-CE2 4.27Å; P160-Y179 VanDerWaalsContact CD-CD2 3.44Å; P160-Y179 VanDerWaalsContact CD-CE2 3.49Å; P160-Y179 HydrophobicContact CG-CD2 3.65Å; P160-Y179 HydrophobicContact CG-CE1 4.38Å; P160-Y179 HydrophobicContact CG-CE2 3.35Å; P160-Y179 HydrophobicContact CG-CG 4.29Å; T164-Y179 HydrophobicContact CG2-CD2 4.43Å; T164-Y179 HydrophobicContact CG2-CG 4.24Å; I177-Y179 HydrophobicContact CG2-CD1 4.39Å; Y179-S188 CarbonylContact O-C 3.43Å; Y179-S188 WeakPolarHBondContact O-CA 3.22Å; Y179-S189 PolarHBondContact N-O 3.03Å; Y179-S189 PolarHBondContact O-N 2.9Å; Y179-S191 WeakPolarHBondContact CE1-OG 3.47Å; Y179-S191 PolarHBondContact OH-OG 3.34Å
180S69.6Low71.7Confident68 Ų6869.7 Ų69.748%0.47638%0.376SS..EExtended strand (participates in β ladder)trans-74.5124.3166.152.90000108.8
181S64.8Low72Confident42 Ų4270.6 Ų70.629%0.29438%0.382SS..  trans-82.5137.7168-172.90000108.9H183S181-H183 PolarHBondContact O-N 3.2Å; S181-H183 VanDerWaalsContact O-N 3.11Å; S181-H183 PolarHBondContact OG-CD2 3.48Å
182D60.6Low72.6Confident159 Ų15973.4 Ų73.485%0.8540%0.398SS*.SBendtrans-68.4-6179.3-64.9-29.9000113.3V184D182-V184 PolarHBondContact O-N 2.96Å
183H56.5Low73.2Confident161 Ų16169 Ų6975%0.74538%0.379SS*.SBendtrans-74.886179.8-70.5-66.5000112.6S181 G185S181-H183 PolarHBondContact O-N 3.2Å; S181-H183 VanDerWaalsContact O-N 3.11Å; S181-H183 PolarHBondContact OG-CD2 3.48Å; H183-G185 PolarHBondContact O-N 2.91Å
184V48.1Very low73.5Confident160 Ų16071.5 Ų71.597%0.9739%0.386SS*.SBendtrans34.919.7153.3-162.60000118.7D182D182-V184 PolarHBondContact O-N 2.96Å
185G50.9Low73.8Confident38 Ų3866.9 Ų66.939%0.39237%0.369SS..SBendtrans-152.4139.3174.500000108.1H183 S187H183-G185 PolarHBondContact O-N 2.91Å; G185-S187 PolarHBondContact O-N 3.3Å
186Y55.2Low74Confident247 Ų24772.2 Ų72.297%0.96940%0.398SS*.  trans-6326.7177.3-87.9-92.8000114.1S188Y186-S188 PolarHBondContact O-N 3.43Å
187S59.1Low74.5Confident87 Ų8775.5 Ų75.561%0.60841%0.41SS*.  trans-76.194.3176.4-65.50000109.1G185 S189G185-S187 PolarHBondContact O-N 3.3Å; S187-S189 PolarHBondContact O-N 2.93Å
188S67.8Low75Confident63 Ų6376.3 Ų76.344%0.44141%0.414SS..EExtended strand (participates in β ladder)trans-61.9116.7166.7-62.10000109.2R122 Y179 Y186R122-S188 PolarHBondContact NH2-O 3.33Å; Y179-S188 CarbonylContact O-C 3.43Å; Y179-S188 WeakPolarHBondContact O-CA 3.22Å; Y186-S188 PolarHBondContact O-N 3.43Å
189S77.3Confident75.8Confident40 Ų4082.3 Ų82.328%0.2844%0.435SS..EExtended strand (participates in β ladder)trans-81.1148.8174.9-71.50000109.7L178 Y179 S187L178-S189 WeakPolarHBondContact CA-O 3.49Å; Y179-S189 PolarHBondContact N-O 3.03Å; Y179-S189 PolarHBondContact O-N 2.9Å; S187-S189 PolarHBondContact O-N 2.93Å
190S82.1Confident76.8Confident55 Ų5583 Ų8339%0.38544%0.444SS..EExtended strand (participates in β ladder)trans-130.1133.5-177.665.50000111.2I177I177-S190 CarbonylContact O-C 3.57Å; I177-S190 WeakPolarHBondContact O-CA 3.4Å
191S85.4Confident78Confident20 Ų2083.4 Ų83.414%0.1444%0.435CS..EExtended strand (participates in β ladder)trans-116.1130171.9-65.20000110.1F159 I176 I177 Y179F159-S191 VanDerWaalsContact CE1-OG 3.31Å; F159-S191 WeakPolarHBondContact CE1-OG 3.41Å; I176-S191 WeakPolarHBondContact CA-O 3.28Å; I177-S191 PolarHBondContact N-O 3.47Å; I177-S191 PolarHBondContact O-N 2.83Å; Y179-S191 WeakPolarHBondContact CE1-OG 3.47Å; Y179-S191 PolarHBondContact OH-OG 3.34Å
192V88.9Confident79.4Confident63 Ų6389.4 Ų89.438%0.38245%0.451SS..EExtended strand (participates in β ladder)trans-113.9116-175.8-178.30000109.1R174 I176R174-V192 HydrophobicContact CB-CG1 4.24Å; R174-V192 HydrophobicContact CG-CG1 4.11Å; I176-V192 HydrophobicContact CG1-CG1 4.48Å; I176-V192 HydrophobicContact CG1-CG2 4.41Å
193F91.6Very high80.9Confident4 Ų485.7 Ų85.72%0.01843%0.431CS..EExtended strand (participates in β ladder)trans-103.2116.9178.9-58.3-79.6000109F159 R174 L175 I177 F210 Y212 I222F159-F193 HydrophobicContact CD1-CZ 4.29Å; F159-F193 HydrophobicContact CE1-CZ 4.28Å; R174-F193 CarbonylContact C-O 3.34Å; R174-F193 VanDerWaalsContact CA-O 3.28Å; R174-F193 WeakPolarHBondContact CA-O 3.5Å; L175-F193 HydrophobicContact CB-CB 4.22Å; L175-F193 PolarHBondContact N-O 3.12Å; L175-F193 PolarHBondContact O-N 2.85Å; I177-F193 HydrophobicContact CB-CE2 4.19Å; I177-F193 HydrophobicContact CD1-CD2 3.96Å; I177-F193 HydrophobicContact CD1-CE2 3.44Å; I177-F193 VanDerWaalsContact CD1-CE2 3.44Å; I177-F193 HydrophobicContact CD1-CZ 4.3Å; I177-F193 HydrophobicContact CG1-CD2 4.06Å; I177-F193 HydrophobicContact CG1-CE2 3.76Å; F193-F210 HydrophobicContact CB-CE2 4.32Å; F193-F210 HydrophobicContact CB-CZ 4.42Å; F193-F210 HydrophobicContact CD1-CE2 4Å; F193-F210 HydrophobicContact CD1-CZ 4.15Å; F193-F210 HydrophobicContact CD2-CZ 4.19Å; F193-F210 HydrophobicContact CG-CE2 4.08Å; F193-F210 AromaticContact CG-CZ 3.95Å; F193-F210 HydrophobicContact CG-CZ 3.95Å; F193-Y212 HydrophobicContact CB-CD2 4.15Å; F193-Y212 HydrophobicContact CB-CE2 3.76Å; F193-Y212 AromaticContact CD1-CD1 3.85Å; F193-Y212 HydrophobicContact CD1-CD1 3.85Å; F193-Y212 AromaticContact CD1-CD2 3.82Å; F193-Y212 HydrophobicContact CD1-CD2 3.82Å; F193-Y212 AromaticContact CD1-CE1 3.89Å; F193-Y212 HydrophobicContact CD1-CE1 3.89Å; F193-Y212 AromaticContact CD1-CE2 3.86Å; F193-Y212 HydrophobicContact CD1-CE2 3.86Å; F193-Y212 AromaticContact CD1-CG 3.81Å; F193-Y212 HydrophobicContact CD1-CG 3.81Å; F193-Y212 AromaticContact CD1-CZ 3.89Å; F193-Y212 HydrophobicContact CE1-CD1 4.26Å; F193-Y212 HydrophobicContact CE1-CE1 4.44Å; F193-Y212 HydrophobicContact CE1-CG 4.45Å; F193-Y212 HydrophobicContact CG-CD2 4.47Å; F193-Y212 HydrophobicContact CG-CE2 4.33Å; F193-I222 HydrophobicContact CD1-CD1 3.76Å; F193-I222 HydrophobicContact CE1-CD1 3.1Å; F193-I222 HydrophobicContact CZ-CD1 3.61Å
194R93Very high82.2Confident131 Ų13180.6 Ų80.649%0.49441%0.413SS..EExtended strand (participates in β ladder)trans-77.5130.9175-60.6-176.1-179174.1-0.1109.4N196 R197 Y212R194-N196 WeakPolarHBondContact CB-OD1 3.19Å; R194-N196 PolarHBondContact O-N 2.79Å; R194-R197 HydrophobicContact CB-CG 4.28Å; R194-R197 PolarHBondContact O-N 2.87Å; R194-Y212 PolarHBondContact N-OH 3.06Å; R194-Y212 WeakPolarHBondContact O-CE2 3.36Å
195V92Very high83.7Confident2 Ų278.5 Ų78.51%0.01240%0.4CS..G310 helixtrans-60.5-36-175.8173.70000111.6K173 R197 I198 L236 M239 I240 I243K173-V195 WeakPolarHBondContact O-CG2 3.37Å; K173-V195 PolarHBondContact O-N 2.98Å; V195-R197 PolarHBondContact O-N 3.3Å; V195-R197 VanDerWaalsContact O-N 3.1Å; V195-I198 WeakPolarHBondContact O-CB 3.5Å; V195-I198 PolarHBondContact O-N 3.2Å; V195-L236 HydrophobicContact CG2-CD2 3.91Å; V195-M239 HydrophobicContact CG1-CB 4.2Å; V195-M239 HydrophobicContact CG2-CB 4.49Å; V195-M239 HydrophobicContact CG2-CE 3.47Å; V195-M239 VanDerWaalsContact CG2-CE 3.47Å; V195-M239 HydrophobicContact CG2-SD 3.92Å; V195-I240 HydrophobicContact CG1-CD1 4.07Å; V195-I240 HydrophobicContact CG1-CG1 3.53Å; V195-I243 HydrophobicContact CB-CD1 4.31Å; V195-I243 HydrophobicContact CG1-CD1 4.08Å
196N91.9Very high85.2Confident112 Ų11281.7 Ų81.760%0.59941%0.408SS*.G310 helixtrans-68.2-5.3176.671-21.1000115R194R194-N196 WeakPolarHBondContact CB-OD1 3.19Å; R194-N196 PolarHBondContact O-N 2.79Å
197R94.7Very high86.6Confident70 Ų7072.2 Ų72.226%0.26437%0.374SS..G310 helixtrans-107.21.5173.6-60-174.879.2144.615.9112.3R194 V195 Y212 L213 F214R194-R197 HydrophobicContact CB-CG 4.28Å; R194-R197 PolarHBondContact O-N 2.87Å; V195-R197 PolarHBondContact O-N 3.3Å; V195-R197 VanDerWaalsContact O-N 3.1Å; R197-Y212 HydrophobicContact CB-CD2 4.16Å; R197-Y212 HydrophobicContact CB-CE2 3.56Å; R197-L213 HydrophobicContact CB-CB 4.48Å; R197-L213 VanDerWaalsContact CZ-O 3.32Å; R197-L213 PolarHBondContact NE-O 3.13Å; R197-L213 PolarHBondContact NH2-O 3.28Å; R197-L213 PolarHBondContact O-N 2.99Å; R197-F214 VanDerWaalsContact NH2-C 3.3Å; R197-F214 PolarHBondContact NH2-O 2.81Å
198I94.9Very high88Confident17 Ų1768 Ų689%0.08735%0.345CS..EExtended strand (participates in β ladder)trans-83.4118.6170.6-61.7175.6000107.3V195 W201 F210 E211 Y212 L236V195-I198 WeakPolarHBondContact O-CB 3.5Å; V195-I198 PolarHBondContact O-N 3.2Å; I198-W201 HydrophobicContact CG2-CE3 3.99Å; I198-F210 HydrophobicContact CD1-CD2 4.03Å; I198-F210 HydrophobicContact CD1-CE2 4.39Å; I198-F210 HydrophobicContact CD1-CG 4.44Å; I198-F210 HydrophobicContact CG1-CD2 3.89Å; I198-F210 HydrophobicContact CG1-CE2 4.34Å; I198-F210 HydrophobicContact CG2-CB 3.96Å; I198-F210 HydrophobicContact CG2-CD2 4.31Å; I198-E211 WeakPolarHBondContact CA-O 3.4Å; I198-Y212 HydrophobicContact CG1-CD2 3.97Å; I198-Y212 HydrophobicContact CG1-CE2 4.47Å; I198-L236 HydrophobicContact CD1-CD2 3.96Å
199R93.3Very high89.2Confident158 Ų15866.2 Ų66.260%0.59633%0.332SS*.EExtended strand (participates in β ladder)trans-76.1-50.6180-176.2174.8811665.6111.1E211R199-E211 VanDerWaalsContact CZ-CD 3.45Å; R199-E211 IonicContact CZ-OE1 3.31Å; R199-E211 IonicContact CZ-OE2 3.35Å; R199-E211 PolarHBondContact N-O 3.47Å; R199-E211 IonicContact NE-OE1 3.2Å; R199-E211 IonicContact NE-OE2 3.8Å; R199-E211 PolarHBondContact NE-OE2 2.95Å; R199-E211 IonicContact NH2-OE1 2.96Å; R199-E211 PolarHBondContact NH2-OE1 3.45Å; R199-E211 IonicContact NH2-OE2 3.9Å; R199-E211 PolarHBondContact NH2-OE2 3.36Å
200C94.8Very high90Very high47 Ų4764.3 Ų64.332%0.31832%0.319SS..EExtended strand (participates in β ladder)trans-158.6169.4179.362.80000109.7F210 E211C200-F210 WeakPolarHBondContact O-CA 3.37Å; C200-E211 PolarHBondContact O-N 2.96Å; C200-E211 PolarHBondContact SG-OE2 3.38Å; C200-E211 VanDerWaalsContact SG-OE2 3.34Å
201W95.7Very high90.6Very high75 Ų7562.5 Ų62.528%0.28430%0.304SS..EExtended strand (participates in β ladder)trans-143.3159.9173.66393.3000111.6I198 L208 S209 F210 S233 Q237 I240I198-W201 HydrophobicContact CG2-CE3 3.99Å; W201-L208 HydrophobicContact CB-CD1 4.19Å; W201-L208 HydrophobicContact CG-CD1 4.16Å; W201-S209 CarbonylContact C-O 3.55Å; W201-S209 WeakPolarHBondContact CA-O 3.24Å; W201-S209 VanDerWaalsContact CB-O 3.23Å; W201-S209 WeakPolarHBondContact CB-O 3.46Å; W201-F210 HydrophobicContact CB-CB 3.68Å; W201-S233 PolarHBondContact NE1-OG 3.28Å; W201-S233 VanDerWaalsContact NE1-OG 3.11Å; W201-Q237 HydrophobicContact CZ2-CB 4.44Å; W201-I240 HydrophobicContact CE3-CD1 4.33Å; W201-I240 HydrophobicContact CH2-CD1 3.22Å; W201-I240 HydrophobicContact CZ2-CD1 4.42Å; W201-I240 HydrophobicContact CZ3-CD1 3.15Å
202R93.4Very high91Very high168 Ų16862.3 Ų62.363%0.63430%0.3SS*.EExtended strand (participates in β ladder)trans-118.7136.9174.7-62.9175.2-177.3174.11.4107.5S209 W221R202-S209 PolarHBondContact N-O 3.02Å; R202-S209 PolarHBondContact O-N 2.95Å; R202-W221 HydrophobicContact CB-CZ3 4.5Å; R202-W221 HydrophobicContact CG-CH2 3.89Å; R202-W221 HydrophobicContact CG-CZ3 3.95Å
203L91.5Very high91.4Very high82 Ų8262.1 Ų62.143%0.42930%0.297SS..EExtended strand (participates in β ladder)trans-122134.5-177.5178.465.3000110.2L208 V230L203-L208 HydrophobicContact CD1-CD1 4.18Å; L203-V230 HydrophobicContact CD1-CG2 4.36Å; L203-V230 HydrophobicContact CD2-CG2 4.38Å
204S84.8Confident91.5Very high54 Ų5464.1 Ų64.138%0.37831%0.306SS..  trans-126.5174.7161.772.50000109.3L206 D207S204-L206 PolarHBondContact O-N 3.16Å; S204-D207 PolarHBondContact N-O 2.81Å; S204-D207 WeakPolarHBondContact OG-CA 3.25Å; S204-D207 VanDerWaalsContact OG-CB 3.3Å; S204-D207 WeakPolarHBondContact OG-CB 3.37Å; S204-D207 PolarHBondContact OG-N 2.97Å; S204-D207 PolarHBondContact OG-O 3.49Å; S204-D207 VanDerWaalsContact OG-O 3.09Å
205V79.8Confident91.4Very high115 Ų11562.9 Ų62.970%0.69732%0.317SS*.SBendtrans-58.5-34.8-179.6179.40000112
206L82.6Confident91.4Very high105 Ų10568.1 Ų68.155%0.5535%0.345SS..SBendtrans-113.5-15.2-174.9-64.2179.7000114S204 K225 S226 A227 S229S204-L206 PolarHBondContact O-N 3.16Å; L206-K225 CarbonylContact O-C 3.38Å; L206-K225 WeakPolarHBondContact O-CA 3.46Å; L206-S226 CarbonylContact C-O 3.56Å; L206-S226 WeakPolarHBondContact CA-O 3.44Å; L206-S226 CarbonylContact O-C 3.53Å; L206-S226 PolarHBondContact O-N 3.48Å; L206-A227 HydrophobicContact CD2-CB 4.44Å; L206-S229 PolarHBondContact O-OG 2.87Å; L206-S229 VanDerWaalsContact O-OG 3.13Å
207D84.3Confident91.4Very high48 Ų4869.2 Ų69.226%0.25735%0.351SS..EExtended strand (participates in β ladder)trans-129.2134.6-175.3-55.1-30.5000111.4S204 T223 L224 K225 S229S204-D207 PolarHBondContact N-O 2.81Å; S204-D207 WeakPolarHBondContact OG-CA 3.25Å; S204-D207 VanDerWaalsContact OG-CB 3.3Å; S204-D207 WeakPolarHBondContact OG-CB 3.37Å; S204-D207 PolarHBondContact OG-N 2.97Å; S204-D207 PolarHBondContact OG-O 3.49Å; S204-D207 VanDerWaalsContact OG-O 3.09Å; D207-T223 HydrophobicContact CB-CG2 4.39Å; D207-L224 CarbonylContact C-O 3.53Å; D207-L224 VanDerWaalsContact CA-O 3.29Å; D207-L224 WeakPolarHBondContact CA-O 3.3Å; D207-K225 VanDerWaalsContact OD1-CB 3.29Å; D207-K225 WeakPolarHBondContact OD1-CB 3.5Å; D207-K225 WeakPolarHBondContact OD1-CG 3.31Å; D207-S229 PolarHBondContact N-OG 3.45Å
208L89Confident91.4Very high0 Ų070.2 Ų70.20%036%0.359CS..EExtended strand (participates in β ladder)trans-113.6117.3164.7176.472.1000108.6W201 L203 L224 S229 I232 L236W201-L208 HydrophobicContact CB-CD1 4.19Å; W201-L208 HydrophobicContact CG-CD1 4.16Å; L203-L208 HydrophobicContact CD1-CD1 4.18Å; L208-L224 HydrophobicContact CD2-CD1 4.23Å; L208-L224 PolarHBondContact N-O 3.47Å; L208-L224 PolarHBondContact O-N 3.02Å; L208-S229 PolarHBondContact N-OG 2.85Å; L208-I232 HydrophobicContact CD2-CB 3.71Å; L208-I232 HydrophobicContact CD2-CG2 3.2Å; L208-L236 HydrophobicContact CD2-CD1 3.85Å
209S91.5Very high91.4Very high24 Ų2472.3 Ų72.317%0.16837%0.369CS..EExtended strand (participates in β ladder)trans-111131.9173.4-57.50000109.7W201 R202 I222 T223W201-S209 CarbonylContact C-O 3.55Å; W201-S209 WeakPolarHBondContact CA-O 3.24Å; W201-S209 VanDerWaalsContact CB-O 3.23Å; W201-S209 WeakPolarHBondContact CB-O 3.46Å; R202-S209 PolarHBondContact N-O 3.02Å; R202-S209 PolarHBondContact O-N 2.95Å; S209-I222 CarbonylContact C-O 3.44Å; S209-I222 VanDerWaalsContact CA-O 3.26Å; S209-I222 WeakPolarHBondContact CA-O 3.36Å; S209-T223 WeakPolarHBondContact CB-OG1 3.19Å; S209-T223 WeakPolarHBondContact OG-CB 3.42Å; S209-T223 VanDerWaalsContact OG-CG2 3.27Å; S209-T223 WeakPolarHBondContact OG-CG2 3.45Å; S209-T223 PolarHBondContact OG-OG1 3.4Å
210F94.2Very high91.5Very high0 Ų068.9 Ų68.90%036%0.36CS..EExtended strand (participates in β ladder)trans-132.6148.9177.365.7-88000111.3L175 F193 I198 C200 W201 Y212 W221 I222 L224L175-F210 HydrophobicContact CD2-CD1 4.18Å; L175-F210 HydrophobicContact CD2-CE1 3.46Å; L175-F210 VanDerWaalsContact CD2-CE1 3.46Å; L175-F210 HydrophobicContact CD2-CE2 4.46Å; L175-F210 HydrophobicContact CD2-CZ 3.62Å; F193-F210 HydrophobicContact CB-CE2 4.32Å; F193-F210 HydrophobicContact CB-CZ 4.42Å; F193-F210 HydrophobicContact CD1-CE2 4Å; F193-F210 HydrophobicContact CD1-CZ 4.15Å; F193-F210 HydrophobicContact CD2-CZ 4.19Å; F193-F210 HydrophobicContact CG-CE2 4.08Å; F193-F210 AromaticContact CG-CZ 3.95Å; F193-F210 HydrophobicContact CG-CZ 3.95Å; I198-F210 HydrophobicContact CD1-CD2 4.03Å; I198-F210 HydrophobicContact CD1-CE2 4.39Å; I198-F210 HydrophobicContact CD1-CG 4.44Å; I198-F210 HydrophobicContact CG1-CD2 3.89Å; I198-F210 HydrophobicContact CG1-CE2 4.34Å; I198-F210 HydrophobicContact CG2-CB 3.96Å; I198-F210 HydrophobicContact CG2-CD2 4.31Å; C200-F210 WeakPolarHBondContact O-CA 3.37Å; W201-F210 HydrophobicContact CB-CB 3.68Å; F210-Y212 HydrophobicContact CE2-CD2 4.17Å; F210-Y212 HydrophobicContact CE2-CG 4.35Å; F210-W221 WeakPolarHBondContact O-CA 3.48Å; F210-I222 HydrophobicContact CD1-CB 4.39Å; F210-I222 HydrophobicContact CD2-CB 4.45Å; F210-I222 HydrophobicContact CE1-CB 3.88Å; F210-I222 HydrophobicContact CE1-CG2 3.79Å; F210-I222 HydrophobicContact CE2-CB 3.97Å; F210-I222 HydrophobicContact CE2-CD1 3.83Å; F210-I222 HydrophobicContact CE2-CG1 4.33Å; F210-I222 HydrophobicContact CE2-CG2 4.44Å; F210-I222 HydrophobicContact CZ-CB 3.65Å; F210-I222 HydrophobicContact CZ-CD1 3.93Å; F210-I222 HydrophobicContact CZ-CG1 4.35Å; F210-I222 HydrophobicContact CZ-CG2 3.66Å; F210-I222 PolarHBondContact N-O 2.66Å; F210-I222 PolarHBondContact O-N 3.07Å; F210-L224 HydrophobicContact CE1-CD1 4.31Å; F210-L224 HydrophobicContact CE1-CD2 4.18Å; F210-L224 HydrophobicContact CE1-CG 4.23Å
211E94.8Very high91.4Very high17 Ų1770.7 Ų70.78%0.07936%0.361CS..EExtended strand (participates in β ladder)trans-99.4119.9179.2-165.3175.2-157.400110I198 R199 C200 L219 E220 W221I198-E211 WeakPolarHBondContact CA-O 3.4Å; R199-E211 VanDerWaalsContact CZ-CD 3.45Å; R199-E211 IonicContact CZ-OE1 3.31Å; R199-E211 IonicContact CZ-OE2 3.35Å; R199-E211 PolarHBondContact N-O 3.47Å; R199-E211 IonicContact NE-OE1 3.2Å; R199-E211 IonicContact NE-OE2 3.8Å; R199-E211 PolarHBondContact NE-OE2 2.95Å; R199-E211 IonicContact NH2-OE1 2.96Å; R199-E211 PolarHBondContact NH2-OE1 3.45Å; R199-E211 IonicContact NH2-OE2 3.9Å; R199-E211 PolarHBondContact NH2-OE2 3.36Å; C200-E211 PolarHBondContact O-N 2.96Å; C200-E211 PolarHBondContact SG-OE2 3.38Å; C200-E211 VanDerWaalsContact SG-OE2 3.34Å; E211-L219 HydrophobicContact CG-CB 4.29Å; E211-L219 HydrophobicContact CG-CD2 4.26Å; E211-E220 WeakPolarHBondContact CA-O 3.33Å; E211-W221 HydrophobicContact CB-CD2 3.92Å; E211-W221 HydrophobicContact CB-CE3 4.15Å; E211-W221 HydrophobicContact CB-CG 4.49Å; E211-W221 HydrophobicContact CB-CH2 4.06Å; E211-W221 HydrophobicContact CB-CZ2 3.8Å; E211-W221 HydrophobicContact CB-CZ3 4.23Å; E211-W221 HydrophobicContact CG-CD2 4.28Å; E211-W221 HydrophobicContact CG-CG 4.44Å; E211-W221 HydrophobicContact CG-CZ2 4.27Å; E211-W221 PolarHBondContact OE1-NE1 3.33Å
212Y95.4Very high91.2Very high16 Ų1667.2 Ų67.26%0.06335%0.348CS..EExtended strand (participates in β ladder)trans-113.3132.1-170.6-169.5-104.1000112.3F193 R194 R197 I198 F210 F214 L219 E220 I222F193-Y212 HydrophobicContact CB-CD2 4.15Å; F193-Y212 HydrophobicContact CB-CE2 3.76Å; F193-Y212 AromaticContact CD1-CD1 3.85Å; F193-Y212 HydrophobicContact CD1-CD1 3.85Å; F193-Y212 AromaticContact CD1-CD2 3.82Å; F193-Y212 HydrophobicContact CD1-CD2 3.82Å; F193-Y212 AromaticContact CD1-CE1 3.89Å; F193-Y212 HydrophobicContact CD1-CE1 3.89Å; F193-Y212 AromaticContact CD1-CE2 3.86Å; F193-Y212 HydrophobicContact CD1-CE2 3.86Å; F193-Y212 AromaticContact CD1-CG 3.81Å; F193-Y212 HydrophobicContact CD1-CG 3.81Å; F193-Y212 AromaticContact CD1-CZ 3.89Å; F193-Y212 HydrophobicContact CE1-CD1 4.26Å; F193-Y212 HydrophobicContact CE1-CE1 4.44Å; F193-Y212 HydrophobicContact CE1-CG 4.45Å; F193-Y212 HydrophobicContact CG-CD2 4.47Å; F193-Y212 HydrophobicContact CG-CE2 4.33Å; R194-Y212 PolarHBondContact N-OH 3.06Å; R194-Y212 WeakPolarHBondContact O-CE2 3.36Å; R197-Y212 HydrophobicContact CB-CD2 4.16Å; R197-Y212 HydrophobicContact CB-CE2 3.56Å; I198-Y212 HydrophobicContact CG1-CD2 3.97Å; I198-Y212 HydrophobicContact CG1-CE2 4.47Å; F210-Y212 HydrophobicContact CE2-CD2 4.17Å; F210-Y212 HydrophobicContact CE2-CG 4.35Å; Y212-F214 HydrophobicContact CD1-CD1 4.11Å; Y212-F214 AromaticContact CD1-CD2 3.87Å; Y212-F214 HydrophobicContact CD1-CD2 3.87Å; Y212-F214 HydrophobicContact CD1-CE1 4.03Å; Y212-F214 AromaticContact CD1-CE2 3.74Å; Y212-F214 HydrophobicContact CD1-CE2 3.74Å; Y212-F214 HydrophobicContact CD1-CG 4.05Å; Y212-F214 AromaticContact CD1-CZ 3.86Å; Y212-F214 HydrophobicContact CD1-CZ 3.86Å; Y212-F214 HydrophobicContact CE1-CD1 4.24Å; Y212-F214 HydrophobicContact CE1-CE1 4.34Å; Y212-F214 HydrophobicContact CE1-CG 4.43Å; Y212-F214 HydrophobicContact CG-CE2 4.47Å; Y212-F214 WeakPolarHBondContact O-CD2 3.22Å; Y212-L219 WeakPolarHBondContact O-CA 3.35Å; Y212-E220 PolarHBondContact N-O 2.82Å; Y212-E220 PolarHBondContact O-N 3.36Å; Y212-E220 VanDerWaalsContact O-N 3.13Å; Y212-I222 HydrophobicContact CG-CD1 4.5Å
213L95.4Very high90.9Very high59 Ų5960.5 Ų60.531%0.30933%0.325SS..EExtended strand (participates in β ladder)trans-87.6106175.1-178.565000110.8R197 L219R197-L213 HydrophobicContact CB-CB 4.48Å; R197-L213 VanDerWaalsContact CZ-O 3.32Å; R197-L213 PolarHBondContact NE-O 3.13Å; R197-L213 PolarHBondContact NH2-O 3.28Å; R197-L213 PolarHBondContact O-N 2.99Å; L213-L219 HydrophobicContact CB-CD2 3.8Å; L213-L219 HydrophobicContact CD1-CD2 3.92Å; L213-L219 HydrophobicContact CD1-CG 4.08Å; L213-L219 HydrophobicContact CG-CD2 4.46Å
214F94.3Very high90.6Very high46 Ų4656.6 Ų56.620%0.20231%0.305CS..  trans-74.9167.8176.5-71.6-92.4000112.5R197 Y212 N216 N217 H218 E220 I222R197-F214 VanDerWaalsContact NH2-C 3.3Å; R197-F214 PolarHBondContact NH2-O 2.81Å; Y212-F214 HydrophobicContact CD1-CD1 4.11Å; Y212-F214 AromaticContact CD1-CD2 3.87Å; Y212-F214 HydrophobicContact CD1-CD2 3.87Å; Y212-F214 HydrophobicContact CD1-CE1 4.03Å; Y212-F214 AromaticContact CD1-CE2 3.74Å; Y212-F214 HydrophobicContact CD1-CE2 3.74Å; Y212-F214 HydrophobicContact CD1-CG 4.05Å; Y212-F214 AromaticContact CD1-CZ 3.86Å; Y212-F214 HydrophobicContact CD1-CZ 3.86Å; Y212-F214 HydrophobicContact CE1-CD1 4.24Å; Y212-F214 HydrophobicContact CE1-CE1 4.34Å; Y212-F214 HydrophobicContact CE1-CG 4.43Å; Y212-F214 HydrophobicContact CG-CE2 4.47Å; Y212-F214 WeakPolarHBondContact O-CD2 3.22Å; F214-N216 WeakPolarHBondContact CB-OD1 3.48Å; F214-N216 PolarHBondContact O-N 2.96Å; F214-N217 PolarHBondContact O-N 3.29Å; F214-N217 VanDerWaalsContact O-N 3.13Å; F214-H218 PolarHBondContact N-O 3.22Å; F214-E220 HydrophobicContact CD2-CB 4.22Å; F214-E220 HydrophobicContact CE2-CB 3.62Å; F214-I222 HydrophobicContact CE2-CD1 4.45Å; F214-I222 HydrophobicContact CZ-CD1 4.03Å
215S91.8Very high90.4Very high105 Ų10557 Ų5773%0.73430%0.299SS*.THydrogen-bonded Turntrans-64.3-24.5-178.146.90000114.3N217S215-N217 PolarHBondContact O-N 3.02Å
216N92.1Very high90.3Very high112 Ų11251.7 Ų51.760%0.59927%0.268SS*.THydrogen-bonded Turntrans-82.814.8174.362.7-12.5000113.2F214 H218F214-N216 WeakPolarHBondContact CB-OD1 3.48Å; F214-N216 PolarHBondContact O-N 2.96Å; N216-H218 PolarHBondContact O-N 2.78Å; N216-H218 VanDerWaalsContact O-N 3.14Å; N216-H218 WeakPolarHBondContact OD1-CB 3.46Å; N216-H218 PolarHBondContact OD1-N 3.37Å; N216-H218 VanDerWaalsContact OD1-N 3.16Å
217N91.5Very high90.1Very high135 Ų13549.4 Ų49.472%0.72226%0.264SS*.SBendtrans6015.9-174.1-59.9-34.5000114.8F214 S215F214-N217 PolarHBondContact O-N 3.29Å; F214-N217 VanDerWaalsContact O-N 3.13Å; S215-N217 PolarHBondContact O-N 3.02Å
218H94.2Very high89.8Confident92 Ų9249.1 Ų49.143%0.42626%0.261SS..  trans-82.9140172.7-177.7-103.8000110.7F214 N216 E220F214-H218 PolarHBondContact N-O 3.22Å; N216-H218 PolarHBondContact O-N 2.78Å; N216-H218 VanDerWaalsContact O-N 3.14Å; N216-H218 WeakPolarHBondContact OD1-CB 3.46Å; N216-H218 PolarHBondContact OD1-N 3.37Å; N216-H218 VanDerWaalsContact OD1-N 3.16Å; H218-E220 IonicContact CE1-OE2 3.11Å; H218-E220 IonicContact ND1-OE2 2.95Å
219L95.4Very high89.3Confident60 Ų6049.1 Ų49.131%0.31426%0.261SS..EExtended strand (participates in β ladder)trans-104.1130172.4-74.1166.3000109.3E211 Y212 L213E211-L219 HydrophobicContact CG-CB 4.29Å; E211-L219 HydrophobicContact CG-CD2 4.26Å; Y212-L219 WeakPolarHBondContact O-CA 3.35Å; L213-L219 HydrophobicContact CB-CD2 3.8Å; L213-L219 HydrophobicContact CD1-CD2 3.92Å; L213-L219 HydrophobicContact CD1-CG 4.08Å; L213-L219 HydrophobicContact CG-CD2 4.46Å
220E94.2Very high88.8Confident86 Ų8651.1 Ų51.140%0.40227%0.272SS..EExtended strand (participates in β ladder)trans-136.9144.5177.2-152.6178.8139.800111E211 Y212 F214 H218E211-E220 WeakPolarHBondContact CA-O 3.33Å; Y212-E220 PolarHBondContact N-O 2.82Å; Y212-E220 PolarHBondContact O-N 3.36Å; Y212-E220 VanDerWaalsContact O-N 3.13Å; F214-E220 HydrophobicContact CD2-CB 4.22Å; F214-E220 HydrophobicContact CE2-CB 3.62Å; H218-E220 IonicContact CE1-OE2 3.11Å; H218-E220 IonicContact ND1-OE2 2.95Å
221W93.6Very high88.1Confident86 Ų8652 Ų5233%0.32628%0.277SS..EExtended strand (participates in β ladder)trans-85.5126.3174.6-78.389000110.9R202 F210 E211R202-W221 HydrophobicContact CB-CZ3 4.5Å; R202-W221 HydrophobicContact CG-CH2 3.89Å; R202-W221 HydrophobicContact CG-CZ3 3.95Å; F210-W221 WeakPolarHBondContact O-CA 3.48Å; E211-W221 HydrophobicContact CB-CD2 3.92Å; E211-W221 HydrophobicContact CB-CE3 4.15Å; E211-W221 HydrophobicContact CB-CG 4.49Å; E211-W221 HydrophobicContact CB-CH2 4.06Å; E211-W221 HydrophobicContact CB-CZ2 3.8Å; E211-W221 HydrophobicContact CB-CZ3 4.23Å; E211-W221 HydrophobicContact CG-CD2 4.28Å; E211-W221 HydrophobicContact CG-CG 4.44Å; E211-W221 HydrophobicContact CG-CZ2 4.27Å; E211-W221 PolarHBondContact OE1-NE1 3.33Å
222I91.4Very high87.5Confident2 Ų251.2 Ų51.21%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-115.5127.7178.1-56.8177.7000107.8F159 I177 F193 S209 F210 Y212 F214 L224F159-I222 HydrophobicContact CB-CG2 4.05Å; I177-I222 HydrophobicContact CD1-CG2 4.41Å; F193-I222 HydrophobicContact CD1-CD1 3.76Å; F193-I222 HydrophobicContact CE1-CD1 3.1Å; F193-I222 HydrophobicContact CZ-CD1 3.61Å; S209-I222 CarbonylContact C-O 3.44Å; S209-I222 VanDerWaalsContact CA-O 3.26Å; S209-I222 WeakPolarHBondContact CA-O 3.36Å; F210-I222 HydrophobicContact CD1-CB 4.39Å; F210-I222 HydrophobicContact CD2-CB 4.45Å; F210-I222 HydrophobicContact CE1-CB 3.88Å; F210-I222 HydrophobicContact CE1-CG2 3.79Å; F210-I222 HydrophobicContact CE2-CB 3.97Å; F210-I222 HydrophobicContact CE2-CD1 3.83Å; F210-I222 HydrophobicContact CE2-CG1 4.33Å; F210-I222 HydrophobicContact CE2-CG2 4.44Å; F210-I222 HydrophobicContact CZ-CB 3.65Å; F210-I222 HydrophobicContact CZ-CD1 3.93Å; F210-I222 HydrophobicContact CZ-CG1 4.35Å; F210-I222 HydrophobicContact CZ-CG2 3.66Å; F210-I222 PolarHBondContact N-O 2.66Å; F210-I222 PolarHBondContact O-N 3.07Å; Y212-I222 HydrophobicContact CG-CD1 4.5Å; F214-I222 HydrophobicContact CE2-CD1 4.45Å; F214-I222 HydrophobicContact CZ-CD1 4.03Å; I222-L224 HydrophobicContact CG2-CD2 4.31Å
223T88Confident87.1Confident27 Ų2750.9 Ų50.917%0.16627%0.273CS..EExtended strand (participates in β ladder)trans-117.4127.9-176.6-59.70000111.9Y158 D207 S209Y158-T223 HydrophobicContact CD2-CG2 4.2Å; Y158-T223 PolarHBondContact N-O 2.58Å; Y158-T223 VanDerWaalsContact N-O 3.09Å; D207-T223 HydrophobicContact CB-CG2 4.39Å; S209-T223 WeakPolarHBondContact CB-OG1 3.19Å; S209-T223 WeakPolarHBondContact OG-CB 3.42Å; S209-T223 VanDerWaalsContact OG-CG2 3.27Å; S209-T223 WeakPolarHBondContact OG-CG2 3.45Å; S209-T223 PolarHBondContact OG-OG1 3.4Å
224L83.6Confident86.5Confident0 Ų051.4 Ų51.40%028%0.276CS..EExtended strand (participates in β ladder)trans-107.5124.4174.5-39-177.7000108.6F157 L175 I177 D207 L208 F210 I222 I232F157-L224 HydrophobicContact CD1-CB 4.26Å; F157-L224 HydrophobicContact CD1-CD2 3.39Å; F157-L224 HydrophobicContact CD1-CG 4.38Å; F157-L224 HydrophobicContact CE1-CB 4.2Å; F157-L224 HydrophobicContact CE1-CD2 3.56Å; F157-L224 HydrophobicContact CE1-CG 4.31Å; L175-L224 HydrophobicContact CD1-CD1 4.41Å; L175-L224 HydrophobicContact CD2-CD1 4.14Å; I177-L224 HydrophobicContact CD1-CD2 3.36Å; I177-L224 HydrophobicContact CG1-CD2 4.35Å; D207-L224 CarbonylContact C-O 3.53Å; D207-L224 VanDerWaalsContact CA-O 3.29Å; D207-L224 WeakPolarHBondContact CA-O 3.3Å; L208-L224 HydrophobicContact CD2-CD1 4.23Å; L208-L224 PolarHBondContact N-O 3.47Å; L208-L224 PolarHBondContact O-N 3.02Å; F210-L224 HydrophobicContact CE1-CD1 4.31Å; F210-L224 HydrophobicContact CE1-CD2 4.18Å; F210-L224 HydrophobicContact CE1-CG 4.23Å; I222-L224 HydrophobicContact CG2-CD2 4.31Å; L224-I232 HydrophobicContact CD1-CD1 3.95Å; L224-I232 HydrophobicContact CD1-CG2 4.5Å
225K80.9Confident86Confident61 Ų6149.5 Ų49.527%0.26527%0.268SS..EExtended strand (participates in β ladder)trans-98.7110.8169.6-44.5-171.6132.91650109.8S156 Y158 L206 D207S156-K225 WeakPolarHBondContact O-CA 3.37Å; S156-K225 WeakPolarHBondContact O-CB 3.32Å; S156-K225 WeakPolarHBondContact O-CG 3.35Å; S156-K225 PolarHBondContact O-N 3.41Å; S156-K225 VanDerWaalsContact O-N 3.14Å; S156-K225 VanDerWaalsContact OG-CD 3.32Å; S156-K225 WeakPolarHBondContact OG-CD 3.29Å; Y158-K225 HydrophobicContact CE2-CD 4.03Å; Y158-K225 HydrophobicContact CE2-CG 4.47Å; Y158-K225 PolarHBondContact OH-NZ 3.18Å; L206-K225 CarbonylContact O-C 3.38Å; L206-K225 WeakPolarHBondContact O-CA 3.46Å; D207-K225 VanDerWaalsContact OD1-CB 3.29Å; D207-K225 WeakPolarHBondContact OD1-CB 3.5Å; D207-K225 WeakPolarHBondContact OD1-CG 3.31Å
226S79.3Confident85.7Confident4 Ų444.6 Ų44.63%0.02823%0.234CC..  trans-149.9138.2-178.3-175.50000111.8N154 L206 Q228 S229N154-S226 WeakPolarHBondContact OD1-CB 3.29Å; N154-S226 PolarHBondContact OD1-OG 3.36Å; L206-S226 CarbonylContact C-O 3.56Å; L206-S226 WeakPolarHBondContact CA-O 3.44Å; L206-S226 CarbonylContact O-C 3.53Å; L206-S226 PolarHBondContact O-N 3.48Å; S226-Q228 PolarHBondContact O-N 3.3Å; S226-Q228 VanDerWaalsContact O-N 3.13Å; S226-Q228 WeakPolarHBondContact OG-CA 3.26Å; S226-Q228 WeakPolarHBondContact OG-CB 3.5Å; S226-Q228 PolarHBondContact OG-N 3.12Å; S226-S229 PolarHBondContact N-OG 3.26Å; S226-S229 VanDerWaalsContact O-CB 3.31Å; S226-S229 WeakPolarHBondContact O-CB 3.5Å; S226-S229 PolarHBondContact O-N 3.07Å; S226-S229 PolarHBondContact O-OG 2.78Å
227A76.6Confident85.3Confident57 Ų5743.5 Ų43.547%0.47123%0.225SC..THydrogen-bonded Turntrans-63-14.1165.200000112.5L206L206-A227 HydrophobicContact CD2-CB 4.44Å
228Q77.7Confident84.8Confident43 Ų4337.8 Ų37.820%0.20120%0.196CC..THydrogen-bonded Turntrans-99.513.5177.1-59.5-178.2-39.600111.8I151 S226 V230 L231 I232I151-Q228 HydrophobicContact CG2-CB 3.69Å; I151-Q228 HydrophobicContact CG2-CG 4.32Å; S226-Q228 PolarHBondContact O-N 3.3Å; S226-Q228 VanDerWaalsContact O-N 3.13Å; S226-Q228 WeakPolarHBondContact OG-CA 3.26Å; S226-Q228 WeakPolarHBondContact OG-CB 3.5Å; S226-Q228 PolarHBondContact OG-N 3.12Å; Q228-V230 VanDerWaalsContact C-N 3.25Å; Q228-V230 PolarHBondContact O-N 3.1Å; Q228-L231 HydrophobicContact CB-CB 4.46Å; Q228-L231 HydrophobicContact CB-CD1 4.08Å; Q228-L231 HydrophobicContact CG-CD1 4.14Å; Q228-L231 WeakPolarHBondContact O-CA 3.4Å; Q228-L231 WeakPolarHBondContact O-CB 3.47Å; Q228-L231 PolarHBondContact O-N 3.03Å; Q228-I232 WeakPolarHBondContact O-CG1 3.5Å; Q228-I232 PolarHBondContact O-N 2.85Å
229S80.6Confident84.4Confident0 Ų034.1 Ų34.10%018%0.179CC..Hα-helixtrans-55.7-38.4-179.7-67.60000113L206 D207 L208 S226 L231 I232 S233L206-S229 PolarHBondContact O-OG 2.87Å; L206-S229 VanDerWaalsContact O-OG 3.13Å; D207-S229 PolarHBondContact N-OG 3.45Å; L208-S229 PolarHBondContact N-OG 2.85Å; S226-S229 PolarHBondContact N-OG 3.26Å; S226-S229 VanDerWaalsContact O-CB 3.31Å; S226-S229 WeakPolarHBondContact O-CB 3.5Å; S226-S229 PolarHBondContact O-N 3.07Å; S226-S229 PolarHBondContact O-OG 2.78Å; S229-L231 PolarHBondContact O-N 3.48Å; S229-I232 PolarHBondContact O-N 3.29Å; S229-S233 PolarHBondContact O-N 3.06Å
230V80.4Confident83.9Confident66 Ų6633.5 Ų33.540%0.418%0.175SC..Hα-helixtrans-62.7-42175.1-179.80000111.1L203 Q228 S233 L234L203-V230 HydrophobicContact CD1-CG2 4.36Å; L203-V230 HydrophobicContact CD2-CG2 4.38Å; Q228-V230 VanDerWaalsContact C-N 3.25Å; Q228-V230 PolarHBondContact O-N 3.1Å; V230-S233 WeakPolarHBondContact O-CB 3.38Å; V230-S233 PolarHBondContact O-N 3Å; V230-L234 HydrophobicContact CG1-CD1 4.3Å; V230-L234 WeakPolarHBondContact O-CG 3.4Å; V230-L234 PolarHBondContact O-N 3.26Å
231L79.3Confident83.3Confident19 Ų1933.4 Ų33.410%0.09918%0.175CC..Hα-helixtrans-63-45.2176.4-66.8172.1000111.5I151 Q228 S229 S233 L234 C235 L268I151-L231 HydrophobicContact CD1-CB 4.44Å; Q228-L231 HydrophobicContact CB-CB 4.46Å; Q228-L231 HydrophobicContact CB-CD1 4.08Å; Q228-L231 HydrophobicContact CG-CD1 4.14Å; Q228-L231 WeakPolarHBondContact O-CA 3.4Å; Q228-L231 WeakPolarHBondContact O-CB 3.47Å; Q228-L231 PolarHBondContact O-N 3.03Å; S229-L231 PolarHBondContact O-N 3.48Å; L231-S233 VanDerWaalsContact C-N 3.29Å; L231-S233 PolarHBondContact O-N 3Å; L231-L234 PolarHBondContact O-N 3.16Å; L231-C235 PolarHBondContact O-N 3.37Å; L231-C235 PolarHBondContact O-SG 3.25Å; L231-L268 HydrophobicContact CD2-CB 3.7Å; L231-L268 HydrophobicContact CD2-CD1 3.25Å; L231-L268 HydrophobicContact CD2-CG 4.02Å
232I82.8Confident82.7Confident0 Ų032.8 Ų32.80%018%0.176CC..Hα-helixtrans-57.2-46.4175.7-57.5170.7000109.8I151 A168 V170 L175 L208 L224 Q228 S229 L234 C235 L236I151-I232 HydrophobicContact CD1-CB 4.32Å; I151-I232 HydrophobicContact CD1-CD1 4.25Å; I151-I232 HydrophobicContact CD1-CG1 3.28Å; I151-I232 HydrophobicContact CG2-CD1 4.25Å; I151-I232 HydrophobicContact CG2-CG1 4.33Å; A168-I232 HydrophobicContact CB-CD1 4.38Å; V170-I232 HydrophobicContact CG2-CB 4.4Å; V170-I232 HydrophobicContact CG2-CG1 4.32Å; V170-I232 HydrophobicContact CG2-CG2 3.82Å; L175-I232 HydrophobicContact CD1-CG2 4.25Å; L208-I232 HydrophobicContact CD2-CB 3.71Å; L208-I232 HydrophobicContact CD2-CG2 3.2Å; L224-I232 HydrophobicContact CD1-CD1 3.95Å; L224-I232 HydrophobicContact CD1-CG2 4.5Å; Q228-I232 WeakPolarHBondContact O-CG1 3.5Å; Q228-I232 PolarHBondContact O-N 2.85Å; S229-I232 PolarHBondContact O-N 3.29Å; I232-L234 PolarHBondContact O-N 2.93Å; I232-C235 WeakPolarHBondContact O-CB 3.37Å; I232-C235 PolarHBondContact O-N 2.83Å; I232-L236 HydrophobicContact CG2-CD1 4.24Å; I232-L236 HydrophobicContact CG2-CG 4.38Å; I232-L236 WeakPolarHBondContact O-CG 3.49Å; I232-L236 PolarHBondContact O-N 3.24Å
233S85.7Confident82.2Confident9 Ų934 Ų346%0.06318%0.182CC..Hα-helixtrans-60.4-43.3179-174.90000112.8W201 S229 V230 L231 C235 L236 Q237W201-S233 PolarHBondContact NE1-OG 3.28Å; W201-S233 VanDerWaalsContact NE1-OG 3.11Å; S229-S233 PolarHBondContact O-N 3.06Å; V230-S233 WeakPolarHBondContact O-CB 3.38Å; V230-S233 PolarHBondContact O-N 3Å; L231-S233 VanDerWaalsContact C-N 3.29Å; L231-S233 PolarHBondContact O-N 3Å; S233-C235 VanDerWaalsContact C-N 3.34Å; S233-C235 PolarHBondContact O-N 3.11Å; S233-L236 PolarHBondContact O-N 3.44Å; S233-Q237 WeakPolarHBondContact O-CB 3.48Å; S233-Q237 PolarHBondContact O-N 3.07Å
234L83.1Confident81.9Confident69 Ų6936.7 Ų36.736%0.36120%0.198SC..Hα-helixtrans-64-39.6177.8-69171.9000111.6V230 L231 I232 Q237 S238 V264 L268V230-L234 HydrophobicContact CG1-CD1 4.3Å; V230-L234 WeakPolarHBondContact O-CG 3.4Å; V230-L234 PolarHBondContact O-N 3.26Å; L231-L234 PolarHBondContact O-N 3.16Å; I232-L234 PolarHBondContact O-N 2.93Å; L234-Q237 PolarHBondContact O-N 3.46Å; L234-S238 PolarHBondContact O-N 3.42Å; L234-S238 VanDerWaalsContact O-N 3.07Å; L234-V264 HydrophobicContact CD1-CG1 4.1Å; L234-L268 HydrophobicContact CD1-CD1 4.12Å
235C83.2Confident81.6Confident7 Ų738.3 Ų38.35%0.04721%0.214CC..Hα-helixtrans-62.7-44.2173.4-63.50000112.2V170 L231 I232 S233 S238 M239 M265V170-C235 HydrophobicContact CB-CB 3.99Å; V170-C235 HydrophobicContact CG1-CB 3.45Å; V170-C235 VanDerWaalsContact CG1-CB 3.45Å; L231-C235 PolarHBondContact O-N 3.37Å; L231-C235 PolarHBondContact O-SG 3.25Å; I232-C235 WeakPolarHBondContact O-CB 3.37Å; I232-C235 PolarHBondContact O-N 2.83Å; S233-C235 VanDerWaalsContact C-N 3.34Å; S233-C235 PolarHBondContact O-N 3.11Å; C235-S238 PolarHBondContact O-N 2.97Å; C235-M239 WeakPolarHBondContact O-CE 3.38Å; C235-M239 WeakPolarHBondContact O-CG 3.42Å; C235-M239 PolarHBondContact O-N 3.1Å; C235-M265 WeakPolarHBondContact SG-CE 3.42Å
236L86.9Confident81.3Confident1 Ų138.3 Ų38.31%0.00522%0.222CC..Hα-helixtrans-61.3-47.6177.4-70.7177.4000111.3V170 V195 I198 L208 I232 S233 S238 M239 I240V170-L236 HydrophobicContact CG1-CD2 4.37Å; V195-L236 HydrophobicContact CG2-CD2 3.91Å; I198-L236 HydrophobicContact CD1-CD2 3.96Å; L208-L236 HydrophobicContact CD2-CD1 3.85Å; I232-L236 HydrophobicContact CG2-CD1 4.24Å; I232-L236 HydrophobicContact CG2-CG 4.38Å; I232-L236 WeakPolarHBondContact O-CG 3.49Å; I232-L236 PolarHBondContact O-N 3.24Å; S233-L236 PolarHBondContact O-N 3.44Å; L236-S238 VanDerWaalsContact C-N 3.35Å; L236-S238 PolarHBondContact O-N 3.48Å; L236-M239 HydrophobicContact CD2-CE 3.84Å; L236-M239 PolarHBondContact O-N 3.38Å; L236-I240 WeakPolarHBondContact O-CG1 3.41Å; L236-I240 PolarHBondContact O-N 2.86Å
237Q83.6Confident80.7Confident90 Ų9044.8 Ų44.842%0.42125%0.252SS..Hα-helixtrans-56-49.8177.9178.9176.9-18.200111W201 S233 L234 M239 I240 E241W201-Q237 HydrophobicContact CZ2-CB 4.44Å; S233-Q237 WeakPolarHBondContact O-CB 3.48Å; S233-Q237 PolarHBondContact O-N 3.07Å; L234-Q237 PolarHBondContact O-N 3.46Å; Q237-M239 PolarHBondContact O-N 3.45Å; Q237-I240 WeakPolarHBondContact O-CB 3.37Å; Q237-I240 PolarHBondContact O-N 2.93Å; Q237-I240 VanDerWaalsContact O-N 3.11Å; Q237-E241 WeakPolarHBondContact CG-OE1 3.47Å; Q237-E241 PolarHBondContact NE2-OE1 2.89Å; Q237-E241 WeakPolarHBondContact O-CG 3.45Å; Q237-E241 PolarHBondContact O-N 3.36Å
238S79.8Confident79.7Confident15 Ų1546.3 Ų46.311%0.10526%0.264CS..Hα-helixtrans-66.5-37.8-178.5-175.40000113.3L234 C235 L236 I240 E241 E242 V261L234-S238 PolarHBondContact O-N 3.42Å; L234-S238 VanDerWaalsContact O-N 3.07Å; C235-S238 PolarHBondContact O-N 2.97Å; L236-S238 VanDerWaalsContact C-N 3.35Å; L236-S238 PolarHBondContact O-N 3.48Å; S238-I240 PolarHBondContact O-N 2.92Å; S238-E241 PolarHBondContact O-N 3.27Å; S238-E242 WeakPolarHBondContact O-CB 3.42Å; S238-E242 PolarHBondContact O-N 3.48Å; S238-V261 WeakPolarHBondContact OG-CG2 3.5Å
239M85.5Confident78.3Confident15 Ų1546.5 Ų46.57%0.07427%0.273CS..Hα-helixtrans-62.5-33.3173.8-74.2-174.9-67.600112.1V170 K173 V195 C235 L236 Q237 I243V170-M239 HydrophobicContact CG1-CE 3.24Å; V170-M239 HydrophobicContact CG1-SD 4.44Å; K173-M239 PolarHBondContact N-SD 2.9Å; V195-M239 HydrophobicContact CG1-CB 4.2Å; V195-M239 HydrophobicContact CG2-CB 4.49Å; V195-M239 HydrophobicContact CG2-CE 3.47Å; V195-M239 VanDerWaalsContact CG2-CE 3.47Å; V195-M239 HydrophobicContact CG2-SD 3.92Å; C235-M239 WeakPolarHBondContact O-CE 3.38Å; C235-M239 WeakPolarHBondContact O-CG 3.42Å; C235-M239 PolarHBondContact O-N 3.1Å; L236-M239 HydrophobicContact CD2-CE 3.84Å; L236-M239 PolarHBondContact O-N 3.38Å; Q237-M239 PolarHBondContact O-N 3.45Å; M239-I243 WeakPolarHBondContact O-CB 3.39Å; M239-I243 WeakPolarHBondContact O-CD1 3.21Å; M239-I243 WeakPolarHBondContact O-CG1 3.5Å; M239-I243 PolarHBondContact O-N 3.25Å
240I85.8Confident76.8Confident46 Ų4655.1 Ų55.124%0.23631%0.313CS..Hα-helixtrans-71.8-45.1176.5-71.6163.6000110.8V195 W201 L236 Q237 S238 E242 I243 V244V195-I240 HydrophobicContact CG1-CD1 4.07Å; V195-I240 HydrophobicContact CG1-CG1 3.53Å; W201-I240 HydrophobicContact CE3-CD1 4.33Å; W201-I240 HydrophobicContact CH2-CD1 3.22Å; W201-I240 HydrophobicContact CZ2-CD1 4.42Å; W201-I240 HydrophobicContact CZ3-CD1 3.15Å; L236-I240 WeakPolarHBondContact O-CG1 3.41Å; L236-I240 PolarHBondContact O-N 2.86Å; Q237-I240 WeakPolarHBondContact O-CB 3.37Å; Q237-I240 PolarHBondContact O-N 2.93Å; Q237-I240 VanDerWaalsContact O-N 3.11Å; S238-I240 PolarHBondContact O-N 2.92Å; I240-E242 PolarHBondContact O-N 3.19Å; I240-I243 PolarHBondContact O-N 2.98Å; I240-I243 VanDerWaalsContact O-N 3.08Å; I240-V244 HydrophobicContact CG2-CG2 4.18Å; I240-V244 WeakPolarHBondContact O-CB 3.48Å; I240-V244 WeakPolarHBondContact O-CG2 3.13Å; I240-V244 PolarHBondContact O-N 2.96Å
241E81.9Confident74.8Confident85 Ų8555.6 Ų55.640%0.39733%0.332SS..Hα-helixtrans-56.3-41.3173.5-70.6167.8-178.600111.1Q237 S238 G245 L257Q237-E241 WeakPolarHBondContact CG-OE1 3.47Å; Q237-E241 PolarHBondContact NE2-OE1 2.89Å; Q237-E241 WeakPolarHBondContact O-CG 3.45Å; Q237-E241 PolarHBondContact O-N 3.36Å; S238-E241 PolarHBondContact O-N 3.27Å; E241-G245 WeakPolarHBondContact O-CA 3.34Å; E241-G245 PolarHBondContact O-N 3.36Å; E241-L257 HydrophobicContact CB-CD2 4.31Å
242E80Confident72.8Confident73 Ų7358.2 Ų58.234%0.34136%0.356SS..Hα-helixtrans-64.5-43.6173.7-169-153.7124.900112.2K173 S238 I240 S246K173-E242 WeakPolarHBondContact CE-OE1 3.21Å; K173-E242 IonicContact NZ-OE1 2.79Å; K173-E242 PolarHBondContact NZ-OE1 3.29Å; K173-E242 VanDerWaalsContact NZ-OE1 3.11Å; S238-E242 WeakPolarHBondContact O-CB 3.42Å; S238-E242 PolarHBondContact O-N 3.48Å; I240-E242 PolarHBondContact O-N 3.19Å; E242-S246 VanDerWaalsContact O-CB 3.28Å; E242-S246 WeakPolarHBondContact O-CB 3.41Å; E242-S246 PolarHBondContact O-N 3.39Å; E242-S246 PolarHBondContact O-OG 3.28Å
243I81.5Confident70.6Confident27 Ų2764.9 Ų64.914%0.13840%0.396CS..Hα-helixtrans-63.7-47.8178.7-72.5161.5000111K173 V195 M239 I240 S246 Q247K173-I243 HydrophobicContact CB-CD1 4.31Å; K173-I243 HydrophobicContact CD-CD1 4.03Å; K173-I243 HydrophobicContact CD-CG1 3.69Å; K173-I243 HydrophobicContact CG-CD1 4.01Å; K173-I243 HydrophobicContact CG-CG1 4.11Å; V195-I243 HydrophobicContact CB-CD1 4.31Å; V195-I243 HydrophobicContact CG1-CD1 4.08Å; M239-I243 WeakPolarHBondContact O-CB 3.39Å; M239-I243 WeakPolarHBondContact O-CD1 3.21Å; M239-I243 WeakPolarHBondContact O-CG1 3.5Å; M239-I243 PolarHBondContact O-N 3.25Å; I240-I243 PolarHBondContact O-N 2.98Å; I240-I243 VanDerWaalsContact O-N 3.08Å; I243-S246 PolarHBondContact O-N 3.13Å; I243-Q247 WeakPolarHBondContact O-CG 3.39Å; I243-Q247 PolarHBondContact O-N 3.46Å; I243-Q247 VanDerWaalsContact O-N 3.11Å
244V81.6Confident68.3Low84 Ų8468.6 Ų68.651%0.50942%0.422SS..Hα-helixtrans-66.5-43.5179174.50000110.1I240 S246 Q247 A248I240-V244 HydrophobicContact CG2-CG2 4.18Å; I240-V244 WeakPolarHBondContact O-CB 3.48Å; I240-V244 WeakPolarHBondContact O-CG2 3.13Å; I240-V244 PolarHBondContact O-N 2.96Å; V244-S246 VanDerWaalsContact C-N 3.33Å; V244-S246 PolarHBondContact O-N 3.17Å; V244-Q247 PolarHBondContact O-N 2.9Å; V244-Q247 VanDerWaalsContact O-N 3.15Å; V244-A248 PolarHBondContact O-N 3.17Å
245G77.2Confident66.1Low33 Ų3370.6 Ų70.634%0.3444%0.441SS..Hα-helixtrans-60.7-40.2175.200000112.5E241 Q247 A248 A249E241-G245 WeakPolarHBondContact O-CA 3.34Å; E241-G245 PolarHBondContact O-N 3.36Å; G245-Q247 VanDerWaalsContact C-N 3.31Å; G245-Q247 PolarHBondContact O-N 3.41Å; G245-A248 PolarHBondContact O-N 3.27Å; G245-A249 WeakPolarHBondContact O-CB 3.3Å; G245-A249 PolarHBondContact O-N 3.15Å
246S75Confident64.1Low61 Ų6173.7 Ų73.743%0.42746%0.463SS..Hα-helixtrans-66.1-32.5175.6-58.80000112.6E242 I243 V244E242-S246 VanDerWaalsContact O-CB 3.28Å; E242-S246 WeakPolarHBondContact O-CB 3.41Å; E242-S246 PolarHBondContact O-N 3.39Å; E242-S246 PolarHBondContact O-OG 3.28Å; I243-S246 PolarHBondContact O-N 3.13Å; V244-S246 VanDerWaalsContact C-N 3.33Å; V244-S246 PolarHBondContact O-N 3.17Å
247Q66.1Low61.7Low141 Ų14176.7 Ų76.766%0.65948%0.478SS*.Hα-helixtrans-71.1-37.3175.2-73.1178.1-19.500111.7I243 V244 G245I243-Q247 WeakPolarHBondContact O-CG 3.39Å; I243-Q247 PolarHBondContact O-N 3.46Å; I243-Q247 VanDerWaalsContact O-N 3.11Å; V244-Q247 PolarHBondContact O-N 2.9Å; V244-Q247 VanDerWaalsContact O-N 3.15Å; G245-Q247 VanDerWaalsContact C-N 3.31Å; G245-Q247 PolarHBondContact O-N 3.41Å
248A56.5Low59.6Low88 Ų8874.8 Ų74.873%0.72747%0.473SS*.Hα-helixtrans-73.3-30.6175.100000113.2V244 G245 H250V244-A248 PolarHBondContact O-N 3.17Å; G245-A248 PolarHBondContact O-N 3.27Å; A248-H250 PolarHBondContact O-N 3.38Å
249A47.5Very low57.7Low47 Ų4781.7 Ų81.739%0.38850%0.502SS..  trans-95.240.7-170.500000115G245 G251G245-A249 WeakPolarHBondContact O-CB 3.3Å; G245-A249 PolarHBondContact O-N 3.15Å; A249-G251 PolarHBondContact O-N 3.1Å
250H49.6Very low55.4Low182 Ų18285.2 Ų85.284%0.84352%0.524SS*.THydrogen-bonded Turntrans-62.620.5160.3-8383.6000113.4A248A248-H250 PolarHBondContact O-N 3.38Å
251G37.7Very low53.4Low76 Ų7684.4 Ų84.478%0.78452%0.521SS*.THydrogen-bonded Turntrans-151.9-0.817900000117.4A249A249-G251 PolarHBondContact O-N 3.1Å
252A37.9Very low51.4Low73 Ų7381.8 Ų81.860%0.60351%0.512SS*.  trans-157.9125177.100000113.9
253V35.8Very low49.2Very low140 Ų14080.6 Ų80.685%0.84851%0.514SS*.  trans-69.7124.8174.8-177.40000109.8
254S38.8Very low47.2Very low87 Ų8782.1 Ų82.161%0.60853%0.525SS*.  trans-137.9108.8166.8178.40000110.8S256S254-S256 PolarHBondContact O-N 2.87Å; S254-S256 PolarHBondContact OG-OG 3.22Å
255C37Very low45.3Very low112 Ų11278.9 Ų78.976%0.75751%0.505SS*.  trans-87.717.9-179-73.60000114.3
256S40.4Very low43.6Very low72 Ų7281.6 Ų81.650%0.50351%0.507SS..  trans-94.2-25.7-168.558.30000116.1S254 P258 F259S254-S256 PolarHBondContact O-N 2.87Å; S254-S256 PolarHBondContact OG-OG 3.22Å; S256-P258 VanDerWaalsContact C-CD 3.44Å; S256-F259 WeakPolarHBondContact O-CB 3.36Å; S256-F259 PolarHBondContact O-N 3.25Å
257L36.9Very low41.7Very low63 Ų6382.1 Ų82.133%0.3351%0.511SS..Hα-helixtrans-61.1-37.9180-88.3137.2000115.6E241 F259 V260E241-L257 HydrophobicContact CB-CD2 4.31Å; L257-F259 PolarHBondContact O-N 3.33Å; L257-F259 VanDerWaalsContact O-N 3.15Å; L257-V260 PolarHBondContact O-N 3.03Å
258P39.9Very low40.2Very low50 Ų5078 Ų7833%0.32549%0.493SS..Hα-helixtrans-60.4-27.6177.4-20.130.2000113.3F147 S256 C262F147-P258 HydrophobicContact CE1-CB 4.08Å; S256-P258 VanDerWaalsContact C-CD 3.44Å; P258-C262 PolarHBondContact O-N 2.76Å
259F38.4Very low39.3Very low161 Ų16177.1 Ų77.171%0.70648%0.48SS*.Hα-helixtrans-70.2-36.5-178.5-156.2-94.6000112S256 L257 C262 A263S256-F259 WeakPolarHBondContact O-CB 3.36Å; S256-F259 PolarHBondContact O-N 3.25Å; L257-F259 PolarHBondContact O-N 3.33Å; L257-F259 VanDerWaalsContact O-N 3.15Å; F259-C262 PolarHBondContact O-N 3Å; F259-A263 VanDerWaalsContact O-CB 3.28Å; F259-A263 WeakPolarHBondContact O-CB 3.39Å; F259-A263 PolarHBondContact O-N 3.14Å
260V37.6Very low38.6Very low89 Ų8977.8 Ų77.854%0.53948%0.482SS..Hα-helixtrans-66.4-41.3179.4-179.50000110.8L257 A263 V264L257-V260 PolarHBondContact O-N 3.03Å; V260-A263 PolarHBondContact O-N 3.03Å; V260-V264 HydrophobicContact CG1-CG2 4.31Å; V260-V264 WeakPolarHBondContact O-CB 3.37Å; V260-V264 VanDerWaalsContact O-CG2 3.31Å; V260-V264 WeakPolarHBondContact O-CG2 3.32Å; V260-V264 PolarHBondContact O-N 3.29Å
261V43.4Very low37.8Very low28 Ų2871.9 Ų71.917%0.1746%0.461CS..Hα-helixtrans-63.1-48.4176.1179.10000111.6F149 S238 A263 M265F149-V261 HydrophobicContact CE2-CG1 4.13Å; S238-V261 WeakPolarHBondContact OG-CG2 3.5Å; V261-A263 VanDerWaalsContact C-N 3.29Å; V261-A263 PolarHBondContact O-N 3.23Å; V261-M265 HydrophobicContact CB-CE 4.49Å; V261-M265 HydrophobicContact CG1-CE 3.14Å; V261-M265 WeakPolarHBondContact O-CB 3.4Å; V261-M265 PolarHBondContact O-N 2.79Å
262C41Very low37.7Very low31 Ų3174 Ų7421%0.20945%0.446CS..Hα-helixtrans-59.5-39.7174.3-85.60000111.7P258 F259 K266P258-C262 PolarHBondContact O-N 2.76Å; F259-C262 PolarHBondContact O-N 3Å; C262-K266 VanDerWaalsContact O-CB 3.24Å; C262-K266 WeakPolarHBondContact O-CB 3.28Å; C262-K266 VanDerWaalsContact O-CG 3.22Å; C262-K266 WeakPolarHBondContact O-CG 3.4Å; C262-K266 PolarHBondContact O-N 3.09Å
263A34.5Very low37.6Very low47 Ų4778 Ų7839%0.38845%0.452SS..Hα-helixtrans-69.9-46.3179.900000112.8F259 V260 V261 M265 K266 S267F259-A263 VanDerWaalsContact O-CB 3.28Å; F259-A263 WeakPolarHBondContact O-CB 3.39Å; F259-A263 PolarHBondContact O-N 3.14Å; V260-A263 PolarHBondContact O-N 3.03Å; V261-A263 VanDerWaalsContact C-N 3.29Å; V261-A263 PolarHBondContact O-N 3.23Å; A263-M265 VanDerWaalsContact C-N 3.32Å; A263-M265 PolarHBondContact O-N 2.97Å; A263-K266 PolarHBondContact O-N 2.9Å; A263-S267 WeakPolarHBondContact O-CB 3.22Å; A263-S267 PolarHBondContact O-N 3.09Å
264V37.7Very low37.2Very low59 Ų5979.6 Ų79.636%0.35845%0.448SS..Hα-helixtrans-63.2-40177.7172.90000110.6L234 V260 S267 L268L234-V264 HydrophobicContact CD1-CG1 4.1Å; V260-V264 HydrophobicContact CG1-CG2 4.31Å; V260-V264 WeakPolarHBondContact O-CB 3.37Å; V260-V264 VanDerWaalsContact O-CG2 3.31Å; V260-V264 WeakPolarHBondContact O-CG2 3.32Å; V260-V264 PolarHBondContact O-N 3.29Å; V264-S267 PolarHBondContact O-N 2.68Å; V264-L268 HydrophobicContact CG1-CD1 3.74Å; V264-L268 WeakPolarHBondContact O-CB 3.45Å; V264-L268 WeakPolarHBondContact O-CG 3.47Å; V264-L268 PolarHBondContact O-N 3.04Å
265M43Very low36.6Very low17 Ų1781.5 Ų81.58%0.08445%0.451CS..Hα-helixtrans-75.2-35.5175.1-82.6-169.8-90.900114.1F149 C235 V261 A263 S267 L268 C269F149-M265 HydrophobicContact CB-SD 3.91Å; F149-M265 HydrophobicContact CD1-CE 3.92Å; F149-M265 HydrophobicContact CD1-SD 3.41Å; F149-M265 WeakPolarHBondContact CD1-SD 3.12Å; F149-M265 HydrophobicContact CD2-CE 3.28Å; F149-M265 HydrophobicContact CD2-SD 3.7Å; F149-M265 HydrophobicContact CE1-CB 4.18Å; F149-M265 HydrophobicContact CE1-CE 3.84Å; F149-M265 HydrophobicContact CE1-SD 3.77Å; F149-M265 HydrophobicContact CE2-CE 3.18Å; F149-M265 HydrophobicContact CE2-SD 4.03Å; F149-M265 HydrophobicContact CG-CE 3.65Å; F149-M265 HydrophobicContact CG-SD 3.37Å; F149-M265 WeakPolarHBondContact CG-SD 3.33Å; F149-M265 HydrophobicContact CZ-CE 3.47Å; F149-M265 VanDerWaalsContact CZ-CE 3.47Å; F149-M265 HydrophobicContact CZ-SD 4.06Å; C235-M265 WeakPolarHBondContact SG-CE 3.42Å; V261-M265 HydrophobicContact CB-CE 4.49Å; V261-M265 HydrophobicContact CG1-CE 3.14Å; V261-M265 WeakPolarHBondContact O-CB 3.4Å; V261-M265 PolarHBondContact O-N 2.79Å; A263-M265 VanDerWaalsContact C-N 3.32Å; A263-M265 PolarHBondContact O-N 2.97Å; M265-S267 VanDerWaalsContact C-N 3.27Å; M265-S267 PolarHBondContact O-N 2.85Å; M265-L268 PolarHBondContact O-N 2.79Å; M265-C269 VanDerWaalsContact O-CB 3.28Å; M265-C269 WeakPolarHBondContact O-CB 3.46Å; M265-C269 PolarHBondContact O-N 3.17Å
266K40.3Very low36.3Very low90 Ų9087.2 Ų87.239%0.39147%0.466SS..Hα-helixtrans-57.4-45.1169.5-83.5179.3-179.7-174.10110.1E140 W143 C262 A263 C270E140-K266 IonicContact OE1-NZ 3.78Å; E140-K266 PolarHBondContact OE1-NZ 3.27Å; W143-K266 HydrophobicContact CH2-CG 3.99Å; W143-K266 HydrophobicContact CZ3-CG 3.78Å; C262-K266 VanDerWaalsContact O-CB 3.24Å; C262-K266 WeakPolarHBondContact O-CB 3.28Å; C262-K266 VanDerWaalsContact O-CG 3.22Å; C262-K266 WeakPolarHBondContact O-CG 3.4Å; C262-K266 PolarHBondContact O-N 3.09Å; A263-K266 PolarHBondContact O-N 2.9Å; K266-C270 VanDerWaalsContact O-CB 3.29Å; K266-C270 WeakPolarHBondContact O-CB 3.36Å; K266-C270 PolarHBondContact O-N 3.23Å; K266-C270 PolarHBondContact O-SG 3.4Å; K266-C270 VanDerWaalsContact O-SG 3.37Å
267S36.6Very low36.1Very low72 Ų7288 Ų8850%0.50346%0.464SS..Hα-helixtrans-60.5-52.5176.8-171.50000111.3A263 V264 M265 C270 S271A263-S267 WeakPolarHBondContact O-CB 3.22Å; A263-S267 PolarHBondContact O-N 3.09Å; V264-S267 PolarHBondContact O-N 2.68Å; M265-S267 VanDerWaalsContact C-N 3.27Å; M265-S267 PolarHBondContact O-N 2.85Å; S267-C270 PolarHBondContact O-N 3.42Å; S267-S271 PolarHBondContact O-N 3.15Å; S267-S271 PolarHBondContact O-OG 2.58Å
268L33.1Very low36.1Very low54 Ų5489.3 Ų89.328%0.28347%0.471SS..Hα-helixtrans-71.5-37.2-176.3-70.3162.5000113.8L231 L234 V264 M265 S271 Y272L231-L268 HydrophobicContact CD2-CB 3.7Å; L231-L268 HydrophobicContact CD2-CD1 3.25Å; L231-L268 HydrophobicContact CD2-CG 4.02Å; L234-L268 HydrophobicContact CD1-CD1 4.12Å; V264-L268 HydrophobicContact CG1-CD1 3.74Å; V264-L268 WeakPolarHBondContact O-CB 3.45Å; V264-L268 WeakPolarHBondContact O-CG 3.47Å; V264-L268 PolarHBondContact O-N 3.04Å; M265-L268 PolarHBondContact O-N 2.79Å; L268-S271 PolarHBondContact O-N 3.39Å; L268-Y272 WeakPolarHBondContact O-CB 3.38Å; L268-Y272 WeakPolarHBondContact O-CD2 3.38Å; L268-Y272 PolarHBondContact O-N 2.85Å
269C38.6Very low35.9Very low69 Ų6991.5 Ų91.547%0.46648%0.479SS..Hα-helixtrans-66.2-40.7172.7-91.80000111.9M265 Y272 Q273M265-C269 VanDerWaalsContact O-CB 3.28Å; M265-C269 WeakPolarHBondContact O-CB 3.46Å; M265-C269 PolarHBondContact O-N 3.17Å; C269-Y272 PolarHBondContact O-N 3.17Å; C269-Q273 PolarHBondContact O-N 3.1Å
270C33.2Very low35.8Very low62 Ų6287.4 Ų87.442%0.41947%0.466SS..Hα-helixtrans-60-51171.7-80.70000110.2K266 S267 Y272 Q273 F274K266-C270 VanDerWaalsContact O-CB 3.29Å; K266-C270 WeakPolarHBondContact O-CB 3.36Å; K266-C270 PolarHBondContact O-N 3.23Å; K266-C270 PolarHBondContact O-SG 3.4Å; K266-C270 VanDerWaalsContact O-SG 3.37Å; S267-C270 PolarHBondContact O-N 3.42Å; C270-Y272 VanDerWaalsContact C-N 3.26Å; C270-Y272 PolarHBondContact O-N 2.98Å; C270-Q273 PolarHBondContact O-N 2.96Å; C270-Q273 VanDerWaalsContact O-N 3.11Å; C270-F274 HydrophobicContact CB-CE2 4.46Å; C270-F274 WeakPolarHBondContact O-CD2 3.31Å; C270-F274 PolarHBondContact O-N 2.96Å; C270-F274 VanDerWaalsContact O-N 3.17Å
271S33Very low35.6Very low58 Ų5887.3 Ų87.341%0.40646%0.461SS..Hα-helixtrans-56.9-38.1179.1-59.80000113S267 L268 F274 L275S267-S271 PolarHBondContact O-N 3.15Å; S267-S271 PolarHBondContact O-OG 2.58Å; L268-S271 PolarHBondContact O-N 3.39Å; S271-F274 PolarHBondContact O-N 2.96Å; S271-L275 WeakPolarHBondContact O-CD1 3.32Å
272Y35.5Very low35.1Very low121 Ų12191.3 Ų91.348%0.47548%0.481SS..Hα-helixtrans-76-29.7177.3-97.8-89.3000114.1L268 C269 C270 F274 L275L268-Y272 WeakPolarHBondContact O-CB 3.38Å; L268-Y272 WeakPolarHBondContact O-CD2 3.38Å; L268-Y272 PolarHBondContact O-N 2.85Å; C269-Y272 PolarHBondContact O-N 3.17Å; C270-Y272 VanDerWaalsContact C-N 3.26Å; C270-Y272 PolarHBondContact O-N 2.98Å; Y272-F274 VanDerWaalsContact C-N 3.28Å; Y272-L275 PolarHBondContact O-N 3.17Å
273Q35.5Very low34.7Very low155 Ų15595.6 Ų95.672%0.72450%0.5SS*.Hα-helixtrans-70.5-23172.5-85.6-179.8-39.500113C269 C270C269-Q273 PolarHBondContact O-N 3.1Å; C270-Q273 PolarHBondContact O-N 2.96Å; C270-Q273 VanDerWaalsContact O-N 3.11Å
274F27Very low34.7Very low175 Ų17599.3 Ų99.377%0.76851%0.509SS*.THydrogen-bonded Turntrans-90-5.9176.6-73.4-68.3000114.4C270 S271 Y272C270-F274 HydrophobicContact CB-CE2 4.46Å; C270-F274 WeakPolarHBondContact O-CD2 3.31Å; C270-F274 PolarHBondContact O-N 2.96Å; C270-F274 VanDerWaalsContact O-N 3.17Å; S271-F274 PolarHBondContact O-N 2.96Å; Y272-F274 VanDerWaalsContact C-N 3.28Å
275L26.2Very low34.5Very low127 Ų127102.7 Ų102.767%0.66552%0.521SS*.  trans-97.211.7-177.1-86.2163.9000114.5S271 Y272S271-L275 WeakPolarHBondContact O-CD1 3.32Å; Y272-L275 PolarHBondContact O-N 3.17Å
276H31.8Very low33.7Very low232 Ų232110.5 Ų110.5100%1.07456%0.561SS**  trans-145.90171.8-81.1-66.7000111.4

Retrieved 276 of 276 residues in 302.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).