A0A077YZM2_TRITR Loading...

Ras-related protein Rab-3

AlphaFold DB , UniProt , Accession A0A077YZM2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 218 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.4Very low36.7Very low230 Ų230163.5 Ų163.5100%1.13385%0.85SS**  0102.90-76.9-156.9-129.100107.9Q3M1-Q3 PolarHBondContact O-N 2.75Å
2A36.3Very low38Very low108 Ų108156.2 Ų156.289%0.89382%0.823SS**  trans-80.4108.5169.300000107.3
3Q39Very low39.6Very low161 Ų161151.4 Ų151.475%0.75280%0.798SS**  trans-91117.4168-75.3-173.4-3.100108.2M1 Y5M1-Q3 PolarHBondContact O-N 2.75Å; Q3-Y5 PolarHBondContact O-N 3.04Å
4M34.4Very low41.3Very low186 Ų186151.2 Ų151.292%0.91680%0.797SS**  trans-53.6119.9168.2-71.7179.2167.300109.9
5Y38.4Very low44.1Very low224 Ų224149.5 Ų149.588%0.87879%0.789SS**  trans-89.8111.9155.5-95.9-89.7000108.6Q3Q3-Y5 PolarHBondContact O-N 3.04Å
6Q36.8Very low46.8Very low185 Ų185144.3 Ų144.386%0.86476%0.757SS**  trans-58.3136.1173.3-95.2168.9-16.600111.7
7Q33.2Very low49.4Very low191 Ų191140.1 Ų140.189%0.89374%0.736SS**  trans-46.6122.9162.9-141.1166.318.200112.1
8R32.7Very low51.9Low233 Ų233137.5 Ų137.588%0.87972%0.715SS**  trans-167.894156.5-106.8172.9-173.4-179.61.7109.7
9D41.6Very low54.1Low153 Ų153134.1 Ų134.182%0.81870%0.696SS**  165.5130.9124.2-90-26.4000113.8
10G33Very low56.2Low50 Ų50127.5 Ų127.552%0.51566%0.662SS.*  trans76.5108.914600000119.3S12 D13G10-S12 PolarHBondContact O-N 3.35Å; G10-D13 PolarHBondContact O-N 2.78Å
11G42.1Very low58Low78 Ų78123.3 Ų123.380%0.80464%0.639SS**THydrogen-bonded Turntrans-59.111175.400000117.8D13G11-D13 VanDerWaalsContact C-N 3.33Å
12S52.1Low60.9Low75 Ų75112.3 Ų112.352%0.52459%0.585SS.*THydrogen-bonded Turntrans-77.6-15.1170.448.50000114G10 R67G10-S12 PolarHBondContact O-N 3.35Å; S12-R67 PolarHBondContact O-NH1 3.24Å
13D58.6Low63.7Low94 Ų94107.2 Ų107.250%0.50354%0.542SS..THydrogen-bonded Turntrans-76.9-19.3-177.6-93.8-6.7000113.6G10 G11 K69G10-D13 PolarHBondContact O-N 2.78Å; G11-D13 VanDerWaalsContact C-N 3.33Å; D13-K69 WeakPolarHBondContact O-CE 3.38Å; D13-K69 PolarHBondContact O-NZ 3.31Å
14L64.3Low66.5Low149 Ų14999.5 Ų99.578%0.7851%0.506SS*.THydrogen-bonded Turntrans-79.9-19.2179.9-73167.7000114F16L14-F16 WeakPolarHBondContact O-CD1 3.37Å; L14-F16 PolarHBondContact O-N 2.98Å
15N82.4Confident69.3Low126 Ų12690.7 Ų90.767%0.67446%0.463SS*.  trans-92.199.4-173.1-160.523.8000110.3R67N15-R67 WeakPolarHBondContact O-CD 3.29Å; N15-R67 PolarHBondContact O-NE 3.21Å
16F86.9Confident72Confident66 Ų6680 Ų8029%0.28942%0.421SS..  trans-138.8147.7172.861.1-86.9000109.5L14 Y18 M19 R67 K69L14-F16 WeakPolarHBondContact O-CD1 3.37Å; L14-F16 PolarHBondContact O-N 2.98Å; F16-Y18 WeakPolarHBondContact CD2-O 3.39Å; F16-M19 HydrophobicContact CD2-CB 4.2Å; F16-M19 HydrophobicContact CE1-CE 4.01Å; F16-M19 HydrophobicContact CE2-CB 3.73Å; F16-M19 HydrophobicContact CE2-CE 3.78Å; F16-M19 HydrophobicContact CZ-CE 3.4Å; F16-M19 VanDerWaalsContact CZ-CE 3.4Å; F16-R67 HydrophobicContact CB-CG 4.44Å; F16-K69 HydrophobicContact CB-CD 4.08Å; F16-K69 HydrophobicContact CB-CG 3.82Å; F16-K69 HydrophobicContact CD1-CD 3.46Å; F16-K69 VanDerWaalsContact CD1-CD 3.46Å; F16-K69 HydrophobicContact CD1-CG 4.16Å; F16-K69 HydrophobicContact CD2-CD 4.36Å; F16-K69 HydrophobicContact CD2-CG 4.45Å; F16-K69 HydrophobicContact CE1-CD 3.97Å; F16-K69 HydrophobicContact CG-CB 4.43Å; F16-K69 HydrophobicContact CG-CD 3.68Å; F16-K69 HydrophobicContact CG-CG 3.87Å
17D91.7Very high74.7Confident73 Ų7372.1 Ų72.139%0.3939%0.385SS..SBendtrans-82.5-39.9179.5-58.7-98.8000111.3K66 R67D17-K66 HydrophobicContact CB-CB 4.23Å; D17-K66 HydrophobicContact CB-CD 3.88Å; D17-K66 VanDerWaalsContact CG-CD 3.45Å; D17-K66 VanDerWaalsContact OD1-CD 3.26Å; D17-K66 WeakPolarHBondContact OD1-CD 3.38Å; D17-K66 IonicContact OD1-NZ 3.31Å; D17-K66 PolarHBondContact OD1-NZ 3Å; D17-K66 WeakPolarHBondContact OD2-CA 3.2Å; D17-R67 PolarHBondContact N-O 3.43Å; D17-R67 PolarHBondContact OD2-N 3.18Å
18Y93.6Very high77.5Confident93 Ų9364.8 Ų64.837%0.36536%0.355SS..EExtended strand (participates in β ladder)trans-136.3149.6-176.7-58-71.1000111.9F16 F20 K66 R67 V68 K69 M184F16-Y18 WeakPolarHBondContact CD2-O 3.39Å; Y18-F20 HydrophobicContact CG-CE1 4.28Å; Y18-K66 HydrophobicContact CD2-CB 4.32Å; Y18-K66 HydrophobicContact CE2-CB 4.21Å; Y18-K66 HydrophobicContact CE2-CD 4.24Å; Y18-K66 HydrophobicContact CE2-CG 4.05Å; Y18-R67 PolarHBondContact N-O 3.15Å; Y18-V68 HydrophobicContact CD2-CG2 4.33Å; Y18-V68 CarbonylContact O-C 3.53Å; Y18-V68 WeakPolarHBondContact O-CA 3.44Å; Y18-K69 PolarHBondContact O-N 3.28Å; Y18-M184 HydrophobicContact CD1-CE 4.08Å; Y18-M184 HydrophobicContact CD1-SD 4.45Å; Y18-M184 HydrophobicContact CE1-CE 4.31Å; Y18-M184 HydrophobicContact CG-CE 4.32Å
19M94.1Very high80.3Confident73 Ų7356.3 Ų56.336%0.3633%0.331SS..EExtended strand (participates in β ladder)trans-126.6119.6172.1-179.2-179-6400109.3F16 K69 Q71F16-M19 HydrophobicContact CD2-CB 4.2Å; F16-M19 HydrophobicContact CE1-CE 4.01Å; F16-M19 HydrophobicContact CE2-CB 3.73Å; F16-M19 HydrophobicContact CE2-CE 3.78Å; F16-M19 HydrophobicContact CZ-CE 3.4Å; F16-M19 VanDerWaalsContact CZ-CE 3.4Å; M19-K69 CarbonylContact C-O 3.56Å; M19-K69 VanDerWaalsContact CA-O 3.29Å; M19-K69 WeakPolarHBondContact CA-O 3.46Å; M19-K69 HydrophobicContact CE-CD 4.38Å; M19-K69 HydrophobicContact CG-CB 4.4Å; M19-Q71 HydrophobicContact CG-CG 4.05Å; M19-Q71 HydrophobicContact SD-CG 4.02Å; M19-Q71 PolarHBondContact SD-NE2 3.24Å; M19-Q71 VanDerWaalsContact SD-NE2 3.36Å
20F95.7Very high82.9Confident1 Ų149 Ų490%0.00429%0.292CS..EExtended strand (participates in β ladder)trans-107.9125.6179.5-61.3-13.2000110.5Y18 I22 V68 K69 L70 Q71 M93 V177 I180 M184Y18-F20 HydrophobicContact CG-CE1 4.28Å; F20-I22 HydrophobicContact CB-CG1 4.45Å; F20-V68 HydrophobicContact CD1-CG1 4.27Å; F20-V68 HydrophobicContact CD2-CG1 3.54Å; F20-V68 HydrophobicContact CE1-CG1 4.24Å; F20-V68 HydrophobicContact CE2-CG1 3.54Å; F20-V68 HydrophobicContact CG-CG1 3.9Å; F20-V68 HydrophobicContact CZ-CG1 3.87Å; F20-K69 PolarHBondContact N-O 3.16Å; F20-L70 HydrophobicContact CB-CD2 4.04Å; F20-L70 HydrophobicContact CD2-CD2 4.01Å; F20-L70 HydrophobicContact CG-CD2 4.4Å; F20-Q71 PolarHBondContact O-N 2.75Å; F20-M93 HydrophobicContact CB-SD 4.3Å; F20-M93 HydrophobicContact CD1-CE 3.58Å; F20-M93 HydrophobicContact CD1-SD 3.61Å; F20-M93 HydrophobicContact CE1-CE 3.79Å; F20-M93 HydrophobicContact CE1-SD 4.4Å; F20-M93 HydrophobicContact CG-CE 4.47Å; F20-M93 HydrophobicContact CG-SD 4.27Å; F20-V177 HydrophobicContact CD2-CG1 4.43Å; F20-V177 HydrophobicContact CD2-CG2 4.47Å; F20-V177 HydrophobicContact CE2-CG1 4.02Å; F20-I180 HydrophobicContact CD1-CG2 3.97Å; F20-I180 HydrophobicContact CD2-CB 4.14Å; F20-I180 HydrophobicContact CD2-CD1 4.04Å; F20-I180 HydrophobicContact CD2-CG2 3.75Å; F20-I180 HydrophobicContact CE1-CG2 3.83Å; F20-I180 HydrophobicContact CE2-CB 3.92Å; F20-I180 HydrophobicContact CE2-CG2 3.56Å; F20-I180 HydrophobicContact CG-CD1 4.44Å; F20-I180 HydrophobicContact CG-CG2 3.97Å; F20-I180 HydrophobicContact CZ-CB 4.41Å; F20-I180 HydrophobicContact CZ-CG2 3.65Å; F20-M184 HydrophobicContact CE1-CE 3.31Å; F20-M184 HydrophobicContact CE1-SD 3.77Å; F20-M184 HydrophobicContact CZ-CE 3.26Å; F20-M184 HydrophobicContact CZ-SD 4.28Å
21K95.6Very high85.9Confident40 Ų4047.4 Ų47.417%0.17428%0.275CS..EExtended strand (participates in β ladder)trans-87.1114.3169.4-177.7175.2174.3-171.10109.2L23 Y88 R90 M93 G94K21-L23 HydrophobicContact CG-CD1 3.99Å; K21-Y88 WeakPolarHBondContact CE-O 3.47Å; K21-Y88 PolarHBondContact NZ-O 3.44Å; K21-R90 PolarHBondContact NZ-O 3.46Å; K21-M93 PolarHBondContact O-N 3.37Å; K21-G94 PolarHBondContact O-N 2.99Å
22I96.6Very high88.5Confident0 Ų044.1 Ų44.10%024%0.239CC..EExtended strand (participates in β ladder)trans-116.4134.6-179.6-63.9173.6000109.3F20 L70 Q71 I72 W73 G94 I96 L176 I180F20-I22 HydrophobicContact CB-CG1 4.45Å; I22-L70 HydrophobicContact CD1-CB 4.44Å; I22-L70 HydrophobicContact CD1-CD1 4.37Å; I22-L70 HydrophobicContact CD1-CD2 4.01Å; I22-L70 HydrophobicContact CD1-CG 4.5Å; I22-Q71 PolarHBondContact N-O 3.18Å; I22-I72 HydrophobicContact CG2-CG2 4.48Å; I22-I72 WeakPolarHBondContact O-CA 3.39Å; I22-W73 PolarHBondContact O-N 2.9Å; I22-G94 VanDerWaalsContact CA-O 3.28Å; I22-G94 WeakPolarHBondContact CA-O 3.26Å; I22-I96 HydrophobicContact CG2-CG1 4.48Å; I22-L176 HydrophobicContact CD1-CD2 4.07Å; I22-L176 HydrophobicContact CG1-CD2 4.23Å; I22-L176 HydrophobicContact CG2-CD2 3.74Å; I22-I180 HydrophobicContact CG1-CD1 4.44Å
23L95.7Very high90.5Very high0 Ų042 Ų420%022%0.223CC..EExtended strand (participates in β ladder)trans-113.1139.7172.7-79.965.7000110.2K21 I25 W73 Y89 A92 G94 F95 I96K21-L23 HydrophobicContact CG-CD1 3.99Å; L23-I25 HydrophobicContact CB-CG2 4.08Å; L23-W73 WeakPolarHBondContact CA-O 3.11Å; L23-W73 HydrophobicContact CD1-CB 4.25Å; L23-W73 HydrophobicContact CD1-CG 4.32Å; L23-W73 HydrophobicContact CG-CB 3.98Å; L23-Y89 HydrophobicContact CD2-CD1 3.48Å; L23-Y89 VanDerWaalsContact CD2-CD1 3.48Å; L23-Y89 HydrophobicContact CD2-CE1 3.84Å; L23-A92 HydrophobicContact CD1-CB 3.61Å; L23-G94 PolarHBondContact N-O 3.42Å; L23-F95 HydrophobicContact CB-CD1 3.82Å; L23-F95 HydrophobicContact CB-CE1 3.95Å; L23-F95 HydrophobicContact CD2-CE1 3.83Å; L23-F95 HydrophobicContact CG-CE1 4.38Å; L23-F95 CarbonylContact O-C 3.56Å; L23-F95 WeakPolarHBondContact O-CA 3.45Å; L23-I96 PolarHBondContact O-N 3.08Å
24I96.2Very high92.3Very high0 Ų039.1 Ų39.10%021%0.209CC..EExtended strand (participates in β ladder)trans-102.1119.5166.6-46.3179.8000107.5K32 L36 I72 W73 T75 I96 M98 F173I24-K32 HydrophobicContact CB-CB 4.42Å; I24-K32 HydrophobicContact CG2-CB 3.69Å; I24-K32 HydrophobicContact CG2-CD 4.04Å; I24-K32 HydrophobicContact CG2-CG 3.78Å; I24-L36 HydrophobicContact CD1-CB 3.87Å; I24-L36 HydrophobicContact CD1-CD1 4.34Å; I24-I72 HydrophobicContact CD1-CG2 4Å; I24-I72 HydrophobicContact CG1-CG2 4.02Å; I24-W73 PolarHBondContact N-O 3.37Å; I24-T75 PolarHBondContact O-N 2.6Å; I24-T75 PolarHBondContact O-OG1 3.19Å; I24-I96 WeakPolarHBondContact CA-O 3.4Å; I24-I96 HydrophobicContact CG1-CB 4.39Å; I24-I96 HydrophobicContact CG1-CD1 4.39Å; I24-I96 HydrophobicContact CG2-CB 4.23Å; I24-I96 HydrophobicContact CG2-CG2 4.22Å; I24-M98 HydrophobicContact CG2-CE 4.48Å; I24-F173 HydrophobicContact CD1-CZ 3.98Å
25I94.3Very high93.9Very high0 Ų032 Ų320%017%0.172CC..EExtended strand (participates in β ladder)trans-129.1164.9-174.768.6158.5000111.6L23 K32 T75 Y89 F95 I96 L97 M98 W113 I117L23-I25 HydrophobicContact CB-CG2 4.08Å; I25-K32 VanDerWaalsContact C-CD 3.41Å; I25-T75 HydrophobicContact CG2-CG2 4.46Å; I25-Y89 HydrophobicContact CG2-CE1 4.04Å; I25-F95 HydrophobicContact CD1-CD1 4.31Å; I25-F95 HydrophobicContact CG2-CD1 4.26Å; I25-I96 PolarHBondContact N-O 3.4Å; I25-L97 HydrophobicContact CD1-CD1 3.94Å; I25-L97 HydrophobicContact CG1-CB 4.23Å; I25-L97 HydrophobicContact CG1-CD1 3.85Å; I25-M98 PolarHBondContact O-N 2.93Å; I25-W113 HydrophobicContact CD1-CB 4.17Å; I25-W113 HydrophobicContact CD1-CE3 4.08Å; I25-I117 HydrophobicContact CD1-CD1 3.34Å; I25-I117 HydrophobicContact CD1-CG1 3.62Å; I25-I117 HydrophobicContact CG1-CD1 4.39Å
26G94.8Very high94.5Very high0 Ų026 Ų260%014%0.14CC..  trans137.5171.4-175.900000111.6K32 G77 M98G26-K32 PolarHBondContact O-NZ 2.91Å; G26-G77 VanDerWaalsContact O-CA 3.22Å; G26-G77 WeakPolarHBondContact O-CA 3.07Å; G26-M98 WeakPolarHBondContact CA-O 3.34Å
27N93.2Very high94.9Very high20 Ų2025.8 Ų25.811%0.10714%0.139CC..SBendtrans-57.1166.1-177.8-76.819.5000112.5V30 K32 G77 S109 W113N27-V30 HydrophobicContact CB-CG1 4.01Å; N27-V30 VanDerWaalsContact O-CG2 3.31Å; N27-V30 WeakPolarHBondContact O-CG2 3.39Å; N27-K32 PolarHBondContact O-NZ 2.87Å; N27-G77 CarbonylContact C-O 3.58Å; N27-S109 PolarHBondContact ND2-OG 3.44Å; N27-S109 WeakPolarHBondContact OD1-CB 3.28Å; N27-W113 PolarHBondContact OD1-NE1 2.87Å
28S91.6Very high95.1Very high37 Ų3724.2 Ų24.226%0.25913%0.128SC..THydrogen-bonded Turntrans-56.7156.5169.3-163.20000110.5V30 G77S28-V30 PolarHBondContact O-N 3.35Å; S28-G77 PolarHBondContact N-O 3.45Å
29S92.8Very high95.3Very high54 Ų5420.7 Ų20.738%0.37811%0.114SC..THydrogen-bonded Turntrans57.82.6175.967.60000119.2G31 K133S29-G31 PolarHBondContact O-N 3.26Å; S29-K133 WeakPolarHBondContact O-CE 3.24Å; S29-K133 PolarHBondContact O-NZ 3.22Å
30V95.9Very high95.4Very high1 Ų118.4 Ų18.41%0.00611%0.105CC..SBendtrans-68.7-15.3176.4-55.10000114.2N27 S28 K32 M98 D100 N132N27-V30 HydrophobicContact CB-CG1 4.01Å; N27-V30 VanDerWaalsContact O-CG2 3.31Å; N27-V30 WeakPolarHBondContact O-CG2 3.39Å; S28-V30 PolarHBondContact O-N 3.35Å; V30-K32 HydrophobicContact CG2-CD 4.25Å; V30-K32 HydrophobicContact CG2-CG 3.63Å; V30-M98 HydrophobicContact CB-CG 4.23Å; V30-M98 HydrophobicContact CG2-CB 4.01Å; V30-M98 HydrophobicContact CG2-CG 3.84Å; V30-M98 HydrophobicContact CG2-SD 4.02Å; V30-D100 HydrophobicContact CB-CB 4.2Å; V30-D100 HydrophobicContact CG1-CB 4.13Å; V30-N132 PolarHBondContact O-ND2 2.88Å
31G96Very high95.2Very high15 Ų1522.5 Ų22.516%0.15513%0.127CC..SBendtrans105.917.8173.300000116.5S29 T33 S34 F35S29-G31 PolarHBondContact O-N 3.26Å; G31-T33 PolarHBondContact O-N 3.26Å; G31-S34 PolarHBondContact O-N 2.85Å; G31-F35 WeakPolarHBondContact O-CB 3.3Å; G31-F35 PolarHBondContact O-N 2.83Å
32K96Very high95.2Very high10 Ų1025.5 Ų25.54%0.04315%0.145CC..Hα-helixtrans-51.8-51.8-179.4-56.1-171.9-62.6-73.80114I24 I25 G26 N27 V30 F35 L36 D74 T75 M98I24-K32 HydrophobicContact CB-CB 4.42Å; I24-K32 HydrophobicContact CG2-CB 3.69Å; I24-K32 HydrophobicContact CG2-CD 4.04Å; I24-K32 HydrophobicContact CG2-CG 3.78Å; I25-K32 VanDerWaalsContact C-CD 3.41Å; G26-K32 PolarHBondContact O-NZ 2.91Å; N27-K32 PolarHBondContact O-NZ 2.87Å; V30-K32 HydrophobicContact CG2-CD 4.25Å; V30-K32 HydrophobicContact CG2-CG 3.63Å; K32-F35 WeakPolarHBondContact O-CB 3.49Å; K32-F35 PolarHBondContact O-N 3.32Å; K32-L36 PolarHBondContact O-N 3.18Å; K32-D74 VanDerWaalsContact CB-OD1 3.24Å; K32-D74 WeakPolarHBondContact CB-OD1 3.37Å; K32-T75 WeakPolarHBondContact CE-O 3.46Å; K32-M98 HydrophobicContact CG-CB 4.39Å; K32-M98 HydrophobicContact CG-SD 4.11Å
33T94.7Very high95.1Very high31 Ų3128.6 Ų28.619%0.1917%0.166CC..Hα-helixtrans-63-46178.8-47.30000112G31 F35 L36 F37 T51 D74G31-T33 PolarHBondContact O-N 3.26Å; T33-F35 VanDerWaalsContact C-N 3.26Å; T33-F35 PolarHBondContact O-N 3.1Å; T33-L36 PolarHBondContact O-N 2.84Å; T33-F37 HydrophobicContact CG2-CD2 4.28Å; T33-F37 HydrophobicContact CG2-CE1 4.46Å; T33-F37 HydrophobicContact CG2-CE2 3.9Å; T33-F37 HydrophobicContact CG2-CZ 4.01Å; T33-F37 PolarHBondContact O-N 3.4Å; T33-T51 PolarHBondContact OG1-OG1 3.46Å; T33-D74 WeakPolarHBondContact CA-OD2 3.43Å; T33-D74 VanDerWaalsContact CB-OD2 3.28Å; T33-D74 WeakPolarHBondContact CB-OD2 3.37Å; T33-D74 PolarHBondContact OG1-OD2 2.8Å
34S95.9Very high95Very high32 Ų3232 Ų3222%0.22418%0.181CC..Hα-helixtrans-61.9-36.7176.8-53.20000111.9G31 R38G31-S34 PolarHBondContact O-N 2.85Å; S34-R38 VanDerWaalsContact O-CB 3.31Å; S34-R38 WeakPolarHBondContact O-CB 3.46Å; S34-R38 PolarHBondContact O-N 2.81Å
35F97.2Very high94.7Very high0 Ų035.7 Ų35.70%020%0.204CC..Hα-helixtrans-66.8-43.2176.2-164.2-94.9000111.8G31 K32 T33 R38 Y39 I96 M98 V130 A161 A163 V169 V172 F173G31-F35 WeakPolarHBondContact O-CB 3.3Å; G31-F35 PolarHBondContact O-N 2.83Å; K32-F35 WeakPolarHBondContact O-CB 3.49Å; K32-F35 PolarHBondContact O-N 3.32Å; T33-F35 VanDerWaalsContact C-N 3.26Å; T33-F35 PolarHBondContact O-N 3.1Å; F35-R38 PolarHBondContact O-N 3.19Å; F35-Y39 PolarHBondContact O-N 3.43Å; F35-I96 HydrophobicContact CE1-CD1 4.38Å; F35-M98 HydrophobicContact CB-CE 3.66Å; F35-M98 HydrophobicContact CD1-CE 3.84Å; F35-M98 HydrophobicContact CD2-CE 3.67Å; F35-M98 HydrophobicContact CE1-CE 4.37Å; F35-M98 HydrophobicContact CE2-CE 4.21Å; F35-M98 HydrophobicContact CG-CE 3.46Å; F35-M98 VanDerWaalsContact CG-CE 3.46Å; F35-V130 HydrophobicContact CE2-CG1 4.47Å; F35-A161 HydrophobicContact CE2-CB 3.7Å; F35-A161 HydrophobicContact CZ-CB 4.4Å; F35-A163 HydrophobicContact CB-CB 4.34Å; F35-A163 HydrophobicContact CD2-CB 4.3Å; F35-V169 HydrophobicContact CD1-CG1 4.34Å; F35-V169 HydrophobicContact CD2-CG1 4.29Å; F35-V169 HydrophobicContact CD2-CG2 3.98Å; F35-V169 HydrophobicContact CE1-CG1 4.14Å; F35-V169 HydrophobicContact CE2-CB 4.08Å; F35-V169 HydrophobicContact CE2-CG1 4.09Å; F35-V169 HydrophobicContact CE2-CG2 3.68Å; F35-V169 HydrophobicContact CG-CG1 4.41Å; F35-V169 HydrophobicContact CZ-CB 4.2Å; F35-V169 HydrophobicContact CZ-CG1 4.01Å; F35-V169 HydrophobicContact CZ-CG2 4.3Å; F35-V172 HydrophobicContact CE1-CB 4.39Å; F35-V172 HydrophobicContact CE1-CG1 4.17Å; F35-V172 HydrophobicContact CZ-CB 3.96Å; F35-V172 HydrophobicContact CZ-CG1 4.1Å; F35-V172 HydrophobicContact CZ-CG2 4.11Å; F35-F173 AromaticContact CD1-CE2 3.63Å; F35-F173 HydrophobicContact CD1-CE2 3.63Å; F35-F173 HydrophobicContact CD1-CZ 4.17Å; F35-F173 AromaticContact CE1-CD2 3.96Å; F35-F173 HydrophobicContact CE1-CD2 3.96Å; F35-F173 AromaticContact CE1-CE2 3.39Å; F35-F173 HydrophobicContact CE1-CE2 3.39Å; F35-F173 HydrophobicContact CE1-CZ 4.19Å
36L96.3Very high94.2Very high0 Ų041 Ų410%024%0.241CC..Hα-helixtrans-61.6-46.7174179.156.9000111.7I24 K32 T33 Y39 C40 K57 I72 D74I24-L36 HydrophobicContact CD1-CB 3.87Å; I24-L36 HydrophobicContact CD1-CD1 4.34Å; K32-L36 PolarHBondContact O-N 3.18Å; T33-L36 PolarHBondContact O-N 2.84Å; L36-Y39 PolarHBondContact O-N 3.09Å; L36-C40 VanDerWaalsContact CD1-SG 3.56Å; L36-C40 WeakPolarHBondContact O-CB 3.4Å; L36-C40 PolarHBondContact O-N 2.81Å; L36-K57 HydrophobicContact CD1-CB 4.24Å; L36-K57 HydrophobicContact CD1-CG 4.39Å; L36-K57 HydrophobicContact CD2-CB 4.28Å; L36-K57 HydrophobicContact CD2-CG 3.9Å; L36-K57 HydrophobicContact CG-CG 4.19Å; L36-I72 HydrophobicContact CD1-CB 3.97Å; L36-I72 HydrophobicContact CD1-CD1 4.02Å; L36-I72 HydrophobicContact CD1-CG2 3.59Å; L36-D74 HydrophobicContact CD2-CB 3.66Å
37F94.6Very high93.7Very high62 Ų6243.9 Ų43.927%0.27227%0.265SS..Hα-helixtrans-65.6-39.2178.3-73.3-9.3000112.3T33 Y39 C40 D41 D42 S43T33-F37 HydrophobicContact CG2-CD2 4.28Å; T33-F37 HydrophobicContact CG2-CE1 4.46Å; T33-F37 HydrophobicContact CG2-CE2 3.9Å; T33-F37 HydrophobicContact CG2-CZ 4.01Å; T33-F37 PolarHBondContact O-N 3.4Å; F37-Y39 VanDerWaalsContact C-N 3.29Å; F37-Y39 PolarHBondContact O-N 2.91Å; F37-C40 PolarHBondContact O-N 2.67Å; F37-D41 CarbonylContact O-C 3.52Å; F37-D41 WeakPolarHBondContact O-CA 3.49Å; F37-D41 PolarHBondContact O-N 2.95Å; F37-D42 PolarHBondContact O-N 3.35Å; F37-S43 CarbonylContact C-O 3.59Å
38R97Very high93.1Very high39 Ų3949.2 Ų49.215%0.14729%0.287CS..Hα-helixtrans-59.6-42.8173.2177.556.876-170.64.6111.2S34 F35 D42 S43 A163 K164 N166 V169S34-R38 VanDerWaalsContact O-CB 3.31Å; S34-R38 WeakPolarHBondContact O-CB 3.46Å; S34-R38 PolarHBondContact O-N 2.81Å; F35-R38 PolarHBondContact O-N 3.19Å; R38-D42 WeakPolarHBondContact CD-OD1 3.37Å; R38-D42 IonicContact CZ-OD1 2.77Å; R38-D42 IonicContact NE-OD1 3.67Å; R38-D42 VanDerWaalsContact NH1-C 3.33Å; R38-D42 PolarHBondContact NH1-O 3.48Å; R38-D42 IonicContact NH1-OD1 3.33Å; R38-D42 PolarHBondContact NH1-OD1 2.68Å; R38-D42 VanDerWaalsContact O-CA 3.28Å; R38-D42 WeakPolarHBondContact O-CA 3.16Å; R38-D42 PolarHBondContact O-N 2.97Å; R38-S43 WeakPolarHBondContact CA-O 3.4Å; R38-S43 PolarHBondContact N-O 3.48Å; R38-A163 PolarHBondContact NE-O 3.43Å; R38-K164 PolarHBondContact NH2-O 3.35Å; R38-N166 WeakPolarHBondContact CD-OD1 3.32Å; R38-N166 HydrophobicContact CG-CB 4.28Å; R38-N166 WeakPolarHBondContact CG-OD1 3.44Å; R38-V169 HydrophobicContact CB-CG1 4.23Å; R38-V169 HydrophobicContact CG-CB 4.16Å; R38-V169 HydrophobicContact CG-CG1 3.94Å; R38-V169 HydrophobicContact CG-CG2 3.85Å
39Y97.3Very high92.6Very high20 Ų2053.1 Ų53.18%0.07831%0.309CS..Hα-helixtrans-71.1-43.2179.4180-116.9000114.2F35 L36 F37 K59 V61 L70 I72 F173F35-Y39 PolarHBondContact O-N 3.43Å; L36-Y39 PolarHBondContact O-N 3.09Å; F37-Y39 VanDerWaalsContact C-N 3.29Å; F37-Y39 PolarHBondContact O-N 2.91Å; Y39-K59 HydrophobicContact CD1-CD 3.81Å; Y39-K59 HydrophobicContact CE1-CB 4.46Å; Y39-K59 HydrophobicContact CE1-CD 3.18Å; Y39-K59 HydrophobicContact CE1-CG 4.41Å; Y39-K59 HydrophobicContact CE2-CD 4.27Å; Y39-K59 VanDerWaalsContact CZ-CD 3.45Å; Y39-K59 PolarHBondContact O-NZ 3.37Å; Y39-V61 WeakPolarHBondContact OH-CG1 3.43Å; Y39-L70 HydrophobicContact CE1-CD1 4.4Å; Y39-I72 HydrophobicContact CD1-CD1 3.97Å; Y39-I72 HydrophobicContact CE1-CD1 3.83Å; Y39-F173 VanDerWaalsContact CB-CE2 3.46Å; Y39-F173 AromaticContact CD1-CD1 3.9Å; Y39-F173 HydrophobicContact CD1-CD1 3.9Å; Y39-F173 AromaticContact CD1-CD2 3.61Å; Y39-F173 HydrophobicContact CD1-CD2 3.61Å; Y39-F173 AromaticContact CD1-CE1 3.91Å; Y39-F173 HydrophobicContact CD1-CE1 3.91Å; Y39-F173 AromaticContact CD1-CE2 3.62Å; Y39-F173 HydrophobicContact CD1-CE2 3.62Å; Y39-F173 AromaticContact CD1-CG 3.76Å; Y39-F173 HydrophobicContact CD1-CG 3.76Å; Y39-F173 AromaticContact CD1-CZ 3.76Å; Y39-F173 HydrophobicContact CD1-CZ 3.76Å; Y39-F173 HydrophobicContact CD2-CB 4.14Å; Y39-F173 AromaticContact CD2-CD2 3.46Å; Y39-F173 HydrophobicContact CD2-CD2 3.46Å; Y39-F173 VanDerWaalsContact CD2-CD2 3.46Å; Y39-F173 HydrophobicContact CD2-CE2 4.03Å; Y39-F173 AromaticContact CD2-CG 3.92Å; Y39-F173 HydrophobicContact CD2-CG 3.92Å; Y39-F173 HydrophobicContact CE1-CB 4.04Å; Y39-F173 AromaticContact CE1-CD1 3.69Å; Y39-F173 HydrophobicContact CE1-CD1 3.69Å; Y39-F173 AromaticContact CE1-CD2 3.97Å; Y39-F173 HydrophobicContact CE1-CD2 3.97Å; Y39-F173 HydrophobicContact CE1-CE1 4.09Å; Y39-F173 HydrophobicContact CE1-CE2 4.34Å; Y39-F173 AromaticContact CE1-CG 3.63Å; Y39-F173 HydrophobicContact CE1-CG 3.63Å; Y39-F173 HydrophobicContact CE1-CZ 4.39Å; Y39-F173 HydrophobicContact CE2-CB 3.61Å; Y39-F173 AromaticContact CE2-CD2 3.84Å; Y39-F173 HydrophobicContact CE2-CD2 3.84Å; Y39-F173 AromaticContact CE2-CG 3.81Å; Y39-F173 HydrophobicContact CE2-CG 3.81Å; Y39-F173 HydrophobicContact CG-CD1 4.46Å; Y39-F173 AromaticContact CG-CD2 3.33Å; Y39-F173 HydrophobicContact CG-CD2 3.33Å; Y39-F173 AromaticContact CG-CE2 3.42Å; Y39-F173 HydrophobicContact CG-CE2 3.42Å; Y39-F173 VanDerWaalsContact CG-CE2 3.42Å; Y39-F173 AromaticContact CG-CG 3.89Å; Y39-F173 HydrophobicContact CG-CG 3.89Å; Y39-F173 HydrophobicContact CG-CZ 4.05Å; Y39-F173 AromaticContact CZ-CG 3.65Å
40C94.9Very high92.1Very high24 Ų2452.6 Ų52.616%0.16231%0.306CS..Hα-helixtrans-81-44.7-174.1-74.90000112.4L36 F37 K57L36-C40 VanDerWaalsContact CD1-SG 3.56Å; L36-C40 WeakPolarHBondContact O-CB 3.4Å; L36-C40 PolarHBondContact O-N 2.81Å; F37-C40 PolarHBondContact O-N 2.67Å; C40-K57 HydrophobicContact CB-CD 4.43Å
41D93.4Very high91.2Very high88 Ų8854 Ų5447%0.47131%0.314SS..Hα-helixtrans-122.12.2-163.9-51.6-23.5000112.8F37 S43 K57F37-D41 CarbonylContact O-C 3.52Å; F37-D41 WeakPolarHBondContact O-CA 3.49Å; F37-D41 PolarHBondContact O-N 2.95Å; D41-S43 PolarHBondContact O-N 3.27Å; D41-K57 VanDerWaalsContact CG-NZ 3.34Å; D41-K57 IonicContact OD1-NZ 3.26Å; D41-K57 PolarHBondContact OD1-NZ 3.03Å; D41-K57 VanDerWaalsContact OD1-NZ 3.14Å; D41-K57 IonicContact OD2-NZ 3.98Å; D41-K57 PolarHBondContact OD2-NZ 3.46Å
42D95.1Very high90.2Very high103 Ų10359 Ų5955%0.55134%0.341SS*.SBendtrans48.139.1-173.4-162.725.9000113.8F37 R38F37-D42 PolarHBondContact O-N 3.35Å; R38-D42 WeakPolarHBondContact CD-OD1 3.37Å; R38-D42 IonicContact CZ-OD1 2.77Å; R38-D42 IonicContact NE-OD1 3.67Å; R38-D42 VanDerWaalsContact NH1-C 3.33Å; R38-D42 PolarHBondContact NH1-O 3.48Å; R38-D42 IonicContact NH1-OD1 3.33Å; R38-D42 PolarHBondContact NH1-OD1 2.68Å; R38-D42 VanDerWaalsContact O-CA 3.28Å; R38-D42 WeakPolarHBondContact O-CA 3.16Å; R38-D42 PolarHBondContact O-N 2.97Å
43S94Very high89.1Confident64 Ų6459.6 Ų59.645%0.44835%0.35SS..  trans-120.7147.1-176.1-176.10000111.5F37 R38 D41F37-S43 CarbonylContact C-O 3.59Å; R38-S43 WeakPolarHBondContact CA-O 3.4Å; R38-S43 PolarHBondContact N-O 3.48Å; D41-S43 PolarHBondContact O-N 3.27Å
44F94.1Very high88.4Confident73 Ų7360.1 Ų60.132%0.3235%0.352SS..  trans-142139.3174.9178.4-93.2000110.5A163 K164F44-A163 HydrophobicContact CD2-CB 4.2Å; F44-A163 HydrophobicContact CE2-CB 4.24Å; F44-K164 HydrophobicContact CD1-CB 4.35Å; F44-K164 HydrophobicContact CD1-CG 4.11Å; F44-K164 HydrophobicContact CD2-CB 4.26Å; F44-K164 HydrophobicContact CE1-CB 3.93Å; F44-K164 HydrophobicContact CE1-CG 3.68Å; F44-K164 HydrophobicContact CE2-CB 3.82Å; F44-K164 HydrophobicContact CE2-CG 4.5Å; F44-K164 HydrophobicContact CZ-CB 3.64Å; F44-K164 HydrophobicContact CZ-CG 3.9Å
45T89.1Confident88Confident76 Ų7661.6 Ų61.647%0.46636%0.357SS..  trans-131137.7170.1-179.20000109.3A47T45-A47 VanDerWaalsContact C-N 3.26Å; T45-A47 WeakPolarHBondContact OG1-CB 3.44Å; T45-A47 PolarHBondContact OG1-N 3.17Å
46S85.1Confident87.6Confident113 Ų11365.4 Ų65.479%0.7937%0.374SS*.  trans-78.9-11.7172.954.70000112.5F48S46-F48 PolarHBondContact O-N 3.38Å; S46-F48 VanDerWaalsContact O-N 3.14Å
47A84Confident87.4Confident60 Ų6068 Ų6850%0.49639%0.385SS..  trans-65.3115177.700000110T45 V49T45-A47 VanDerWaalsContact C-N 3.26Å; T45-A47 WeakPolarHBondContact OG1-CB 3.44Å; T45-A47 PolarHBondContact OG1-N 3.17Å; A47-V49 PolarHBondContact O-N 3.31Å
48F79.7Confident87.4Confident132 Ų13268.7 Ų68.758%0.57939%0.394SS*.  trans-77.2108.4175-180-109.8000110.2S46 S50S46-F48 PolarHBondContact O-N 3.38Å; S46-F48 VanDerWaalsContact O-N 3.14Å; F48-S50 WeakPolarHBondContact CE1-OG 3.37Å; F48-S50 WeakPolarHBondContact CZ-OG 3.27Å
49V81.2Confident87.3Confident119 Ų11969.6 Ų69.672%0.72140%0.399SS*.  trans-114.9117.8169.1-176.40000107.4A47 T51A47-V49 PolarHBondContact O-N 3.31Å; V49-T51 PolarHBondContact O-N 3Å
50S82.6Confident87.2Confident43 Ų4370.9 Ų70.930%0.30141%0.409SS..  trans-64124.9175.9-740000110.5F48 V52F48-S50 WeakPolarHBondContact CE1-OG 3.37Å; F48-S50 WeakPolarHBondContact CZ-OG 3.27Å; S50-V52 PolarHBondContact O-N 2.85Å
51T76.1Confident87.2Confident31 Ų3170.6 Ų70.619%0.1941%0.406CS..  trans-62.6122.5172.3-40.50000109.3T33 V49 A76T33-T51 PolarHBondContact OG1-OG1 3.46Å; V49-T51 PolarHBondContact O-N 3Å; T51-A76 VanDerWaalsContact O-CB 3.26Å; T51-A76 WeakPolarHBondContact O-CB 3.38Å
52V75.2Confident87.2Confident118 Ų11871.8 Ų71.872%0.71541%0.408SS*.  trans-98.3114.8174.1-179.70000107.8S50S50-V52 PolarHBondContact O-N 2.85Å
53G73.2Confident86.9Confident23 Ų2369.4 Ų69.424%0.23739%0.391CS..SBendtrans78.9-126.3-177.900000112.7A76G53-A76 WeakPolarHBondContact O-CB 3.29Å; G53-A76 PolarHBondContact O-N 3.14Å
54I80.9Confident86.7Confident42 Ų4270.1 Ų70.122%0.21541%0.408CS..EExtended strand (participates in β ladder)trans-139.8133.4-175.2-58.2-177.4000108.8W73 D74 T75 Y88I54-W73 HydrophobicContact CG2-CB 4.28Å; I54-W73 HydrophobicContact CG2-CE3 3.75Å; I54-D74 CarbonylContact C-O 3.47Å; I54-D74 VanDerWaalsContact CA-O 3.24Å; I54-D74 WeakPolarHBondContact CA-O 3.28Å; I54-D74 WeakPolarHBondContact CG2-O 3.31Å; I54-T75 HydrophobicContact CD1-CG2 4.26Å; I54-T75 HydrophobicContact CG1-CG2 4.39Å; I54-T75 HydrophobicContact CG2-CG2 4.48Å; I54-Y88 HydrophobicContact CD1-CD1 3.95Å; I54-Y88 HydrophobicContact CD1-CD2 3.18Å; I54-Y88 HydrophobicContact CD1-CE1 3.97Å; I54-Y88 HydrophobicContact CD1-CE2 3.22Å; I54-Y88 HydrophobicContact CD1-CG 3.57Å; I54-Y88 HydrophobicContact CG1-CE2 4.49Å
55D85.9Confident86.4Confident63 Ų6372.8 Ų72.834%0.33743%0.426SS..EExtended strand (participates in β ladder)trans-101.6156.3171.2-162.19.6000110.7W73 D74D55-W73 WeakPolarHBondContact O-CA 3.36Å; D55-D74 HydrophobicContact CB-CB 4.3Å; D55-D74 PolarHBondContact N-O 2.78Å; D55-D74 PolarHBondContact O-N 2.96Å
56F89.4Confident86.5Confident80 Ų8072.4 Ų72.435%0.35142%0.418SS..EExtended strand (participates in β ladder)trans-137.7125.1-171.7176.4-103.3000111.7V58 Q71 I72 W73F56-V58 HydrophobicContact CE1-CG2 3.48Å; F56-V58 VanDerWaalsContact CE1-CG2 3.48Å; F56-V58 HydrophobicContact CE2-CG2 4.43Å; F56-V58 HydrophobicContact CZ-CG2 3.44Å; F56-V58 VanDerWaalsContact CZ-CG2 3.44Å; F56-Q71 HydrophobicContact CE2-CB 3.81Å; F56-Q71 HydrophobicContact CE2-CG 4.02Å; F56-Q71 HydrophobicContact CZ-CB 4.23Å; F56-Q71 HydrophobicContact CZ-CG 3.93Å; F56-I72 WeakPolarHBondContact CA-O 3.48Å; F56-W73 HydrophobicContact CB-CE3 4.4Å; F56-W73 HydrophobicContact CB-CZ3 4.49Å; F56-W73 AromaticContact CD2-CD2 3.67Å; F56-W73 HydrophobicContact CD2-CD2 3.67Å; F56-W73 AromaticContact CD2-CE2 3.53Å; F56-W73 AromaticContact CD2-CE3 3.94Å; F56-W73 HydrophobicContact CD2-CE3 3.94Å; F56-W73 HydrophobicContact CD2-CG 4.21Å; F56-W73 HydrophobicContact CD2-CH2 4.04Å; F56-W73 AromaticContact CD2-CZ2 3.74Å; F56-W73 HydrophobicContact CD2-CZ2 3.74Å; F56-W73 HydrophobicContact CD2-CZ3 4.11Å; F56-W73 AromaticContact CD2-NE1 3.91Å; F56-W73 HydrophobicContact CE2-CD2 4.25Å; F56-W73 AromaticContact CE2-CE2 3.63Å; F56-W73 HydrophobicContact CE2-CH2 4.34Å; F56-W73 AromaticContact CE2-CZ2 3.7Å; F56-W73 HydrophobicContact CE2-CZ2 3.7Å; F56-W73 AromaticContact CE2-NE1 3.75Å
57K93.3Very high87Confident56 Ų5670.1 Ų70.124%0.24339%0.392CS..EExtended strand (participates in β ladder)trans-126.1144.5174.7-72.2-84-168.9161.70110.2L36 C40 D41 I72L36-K57 HydrophobicContact CD1-CB 4.24Å; L36-K57 HydrophobicContact CD1-CG 4.39Å; L36-K57 HydrophobicContact CD2-CB 4.28Å; L36-K57 HydrophobicContact CD2-CG 3.9Å; L36-K57 HydrophobicContact CG-CG 4.19Å; C40-K57 HydrophobicContact CB-CD 4.43Å; D41-K57 VanDerWaalsContact CG-NZ 3.34Å; D41-K57 IonicContact OD1-NZ 3.26Å; D41-K57 PolarHBondContact OD1-NZ 3.03Å; D41-K57 VanDerWaalsContact OD1-NZ 3.14Å; D41-K57 IonicContact OD2-NZ 3.98Å; D41-K57 PolarHBondContact OD2-NZ 3.46Å; K57-I72 PolarHBondContact N-O 2.84Å; K57-I72 PolarHBondContact O-N 2.85Å
58V94.1Very high87.5Confident75 Ų7567.3 Ų67.346%0.45537%0.368SS..EExtended strand (participates in β ladder)trans-110.8128.2168.6-1790000108.8F56 L70 Q71F56-V58 HydrophobicContact CE1-CG2 3.48Å; F56-V58 VanDerWaalsContact CE1-CG2 3.48Å; F56-V58 HydrophobicContact CE2-CG2 4.43Å; F56-V58 HydrophobicContact CZ-CG2 3.44Å; F56-V58 VanDerWaalsContact CZ-CG2 3.44Å; V58-L70 CarbonylContact C-O 3.59Å; V58-L70 VanDerWaalsContact CA-O 3.27Å; V58-L70 WeakPolarHBondContact CA-O 3.36Å; V58-Q71 HydrophobicContact CG2-CG 4.43Å
59K94.8Very high88.3Confident59 Ų5962.4 Ų62.426%0.25735%0.347SS..EExtended strand (participates in β ladder)trans-129.2130172.5-162.9-172-177.687.60109.7Y39 L70 I72Y39-K59 HydrophobicContact CD1-CD 3.81Å; Y39-K59 HydrophobicContact CE1-CB 4.46Å; Y39-K59 HydrophobicContact CE1-CD 3.18Å; Y39-K59 HydrophobicContact CE1-CG 4.41Å; Y39-K59 HydrophobicContact CE2-CD 4.27Å; Y39-K59 VanDerWaalsContact CZ-CD 3.45Å; Y39-K59 PolarHBondContact O-NZ 3.37Å; K59-L70 PolarHBondContact N-O 3.07Å; K59-L70 WeakPolarHBondContact O-CB 3.22Å; K59-L70 PolarHBondContact O-N 3.02Å; K59-I72 HydrophobicContact CB-CD1 4.43Å
60T94.9Very high89Confident47 Ų4756.8 Ų56.829%0.28831%0.313SS..EExtended strand (participates in β ladder)trans-91128.4174.1-60.80000109.5R67T60-R67 HydrophobicContact CG2-CG 3.27Å
61V95.3Very high89.7Confident17 Ų1757.1 Ų57.110%0.10331%0.31CS..EExtended strand (participates in β ladder)trans-123.3165.3173.5-570000110.2Y39 V68 L70 V177Y39-V61 WeakPolarHBondContact OH-CG1 3.43Å; V61-V68 HydrophobicContact CG2-CB 3.9Å; V61-V68 HydrophobicContact CG2-CG1 4.45Å; V61-V68 PolarHBondContact N-O 3.3Å; V61-V68 PolarHBondContact O-N 3.1Å; V61-L70 HydrophobicContact CG1-CD1 3.83Å; V61-L70 HydrophobicContact CG1-CG 4.37Å; V61-L70 HydrophobicContact CG2-CD1 4.02Å; V61-L70 HydrophobicContact CG2-CD2 4.17Å; V61-L70 HydrophobicContact CG2-CG 4.04Å; V61-V177 HydrophobicContact CG2-CG1 4.4Å; V61-V177 HydrophobicContact CG2-CG2 4.48Å
62F93Very high90.7Very high114 Ų11455.7 Ų55.750%0.530%0.301SS..EExtended strand (participates in β ladder)trans-116.5142.3177-70.2-92.8000110.9K66 R67F62-K66 WeakPolarHBondContact CA-O 3.35Å; F62-R67 HydrophobicContact CD1-CB 4.29Å; F62-R67 HydrophobicContact CE1-CB 3.95Å; F62-R67 HydrophobicContact CE1-CG 4.03Å; F62-R67 HydrophobicContact CZ-CG 4.14Å
63R89.2Confident91.6Very high53 Ų5352.6 Ų52.620%0.228%0.276CS..EExtended strand (participates in β ladder)trans-13399.5171.5-70.4-61.4-177.8-104.916.1108.5D65 K66 V68 E174 V177 D178R63-D65 PolarHBondContact O-N 2.69Å; R63-K66 PolarHBondContact N-O 3.35Å; R63-K66 WeakPolarHBondContact O-CB 3.37Å; R63-K66 PolarHBondContact O-N 3.26Å; R63-V68 HydrophobicContact CB-CG2 4.44Å; R63-V68 HydrophobicContact CG-CG2 4.32Å; R63-E174 PolarHBondContact NH2-O 2.95Å; R63-V177 HydrophobicContact CG-CG1 3.8Å; R63-D178 WeakPolarHBondContact CD-OD1 3.24Å; R63-D178 IonicContact CZ-OD1 2.81Å; R63-D178 IonicContact NE-OD1 3.48Å; R63-D178 PolarHBondContact NE-OD1 3.2Å; R63-D178 IonicContact NH2-OD1 2.67Å; R63-D178 PolarHBondContact NH2-OD1 3.26Å
64G88.5Confident92.5Very high78 Ų7851.5 Ų51.580%0.80427%0.265SS*.THydrogen-bonded Turntrans62-125.7-166.100000110.7
65D89.3Confident92.7Very high129 Ų12949.5 Ų49.569%0.6925%0.254SS*.THydrogen-bonded Turntrans-84.4-10.2174.868.2-36.1000113.2R63R63-D65 PolarHBondContact O-N 2.69Å
66K91.6Very high92.4Very high69 Ų6946.5 Ų46.530%0.324%0.239SC..EExtended strand (participates in β ladder)trans-83.6129.4-175.7-55.9-59.3178.1-164.10111.9D17 Y18 F62 R63D17-K66 HydrophobicContact CB-CB 4.23Å; D17-K66 HydrophobicContact CB-CD 3.88Å; D17-K66 VanDerWaalsContact CG-CD 3.45Å; D17-K66 VanDerWaalsContact OD1-CD 3.26Å; D17-K66 WeakPolarHBondContact OD1-CD 3.38Å; D17-K66 IonicContact OD1-NZ 3.31Å; D17-K66 PolarHBondContact OD1-NZ 3Å; D17-K66 WeakPolarHBondContact OD2-CA 3.2Å; Y18-K66 HydrophobicContact CD2-CB 4.32Å; Y18-K66 HydrophobicContact CE2-CB 4.21Å; Y18-K66 HydrophobicContact CE2-CD 4.24Å; Y18-K66 HydrophobicContact CE2-CG 4.05Å; F62-K66 WeakPolarHBondContact CA-O 3.35Å; R63-K66 PolarHBondContact N-O 3.35Å; R63-K66 WeakPolarHBondContact O-CB 3.37Å; R63-K66 PolarHBondContact O-N 3.26Å
67R93.9Very high91.5Very high65 Ų6543 Ų4325%0.24523%0.226CC..EExtended strand (participates in β ladder)trans-92.2117172-171.3-171.9-64.9-154-5.8109.7S12 N15 F16 D17 Y18 T60 F62S12-R67 PolarHBondContact O-NH1 3.24Å; N15-R67 WeakPolarHBondContact O-CD 3.29Å; N15-R67 PolarHBondContact O-NE 3.21Å; F16-R67 HydrophobicContact CB-CG 4.44Å; D17-R67 PolarHBondContact N-O 3.43Å; D17-R67 PolarHBondContact OD2-N 3.18Å; Y18-R67 PolarHBondContact N-O 3.15Å; T60-R67 HydrophobicContact CG2-CG 3.27Å; F62-R67 HydrophobicContact CD1-CB 4.29Å; F62-R67 HydrophobicContact CE1-CB 3.95Å; F62-R67 HydrophobicContact CE1-CG 4.03Å; F62-R67 HydrophobicContact CZ-CG 4.14Å
68V95.8Very high90.2Very high1 Ų141.8 Ų41.81%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-109.4120.7-178.6-174.20000109.4Y18 F20 V61 R63 L70Y18-V68 HydrophobicContact CD2-CG2 4.33Å; Y18-V68 CarbonylContact O-C 3.53Å; Y18-V68 WeakPolarHBondContact O-CA 3.44Å; F20-V68 HydrophobicContact CD1-CG1 4.27Å; F20-V68 HydrophobicContact CD2-CG1 3.54Å; F20-V68 HydrophobicContact CE1-CG1 4.24Å; F20-V68 HydrophobicContact CE2-CG1 3.54Å; F20-V68 HydrophobicContact CG-CG1 3.9Å; F20-V68 HydrophobicContact CZ-CG1 3.87Å; V61-V68 HydrophobicContact CG2-CB 3.9Å; V61-V68 HydrophobicContact CG2-CG1 4.45Å; V61-V68 PolarHBondContact N-O 3.3Å; V61-V68 PolarHBondContact O-N 3.1Å; R63-V68 HydrophobicContact CB-CG2 4.44Å; R63-V68 HydrophobicContact CG-CG2 4.32Å; V68-L70 HydrophobicContact CG1-CD2 3.78Å
69K95.9Very high88.5Confident29 Ų2944 Ų4413%0.12623%0.226CC..EExtended strand (participates in β ladder)trans-89.1118.2171.6-78.4-168.9176.4-172.10110.8D13 F16 Y18 M19 F20D13-K69 WeakPolarHBondContact O-CE 3.38Å; D13-K69 PolarHBondContact O-NZ 3.31Å; F16-K69 HydrophobicContact CB-CD 4.08Å; F16-K69 HydrophobicContact CB-CG 3.82Å; F16-K69 HydrophobicContact CD1-CD 3.46Å; F16-K69 VanDerWaalsContact CD1-CD 3.46Å; F16-K69 HydrophobicContact CD1-CG 4.16Å; F16-K69 HydrophobicContact CD2-CD 4.36Å; F16-K69 HydrophobicContact CD2-CG 4.45Å; F16-K69 HydrophobicContact CE1-CD 3.97Å; F16-K69 HydrophobicContact CG-CB 4.43Å; F16-K69 HydrophobicContact CG-CD 3.68Å; F16-K69 HydrophobicContact CG-CG 3.87Å; Y18-K69 PolarHBondContact O-N 3.28Å; M19-K69 CarbonylContact C-O 3.56Å; M19-K69 VanDerWaalsContact CA-O 3.29Å; M19-K69 WeakPolarHBondContact CA-O 3.46Å; M19-K69 HydrophobicContact CE-CD 4.38Å; M19-K69 HydrophobicContact CG-CB 4.4Å; F20-K69 PolarHBondContact N-O 3.16Å
70L97.1Very high86.9Confident0 Ų049.7 Ų49.70%025%0.246CC..EExtended strand (participates in β ladder)trans-91.6117.4173.5-49.1-175.8000108.9F20 I22 Y39 V58 K59 V61 V68 I72 V177F20-L70 HydrophobicContact CB-CD2 4.04Å; F20-L70 HydrophobicContact CD2-CD2 4.01Å; F20-L70 HydrophobicContact CG-CD2 4.4Å; I22-L70 HydrophobicContact CD1-CB 4.44Å; I22-L70 HydrophobicContact CD1-CD1 4.37Å; I22-L70 HydrophobicContact CD1-CD2 4.01Å; I22-L70 HydrophobicContact CD1-CG 4.5Å; Y39-L70 HydrophobicContact CE1-CD1 4.4Å; V58-L70 CarbonylContact C-O 3.59Å; V58-L70 VanDerWaalsContact CA-O 3.27Å; V58-L70 WeakPolarHBondContact CA-O 3.36Å; K59-L70 PolarHBondContact N-O 3.07Å; K59-L70 WeakPolarHBondContact O-CB 3.22Å; K59-L70 PolarHBondContact O-N 3.02Å; V61-L70 HydrophobicContact CG1-CD1 3.83Å; V61-L70 HydrophobicContact CG1-CG 4.37Å; V61-L70 HydrophobicContact CG2-CD1 4.02Å; V61-L70 HydrophobicContact CG2-CD2 4.17Å; V61-L70 HydrophobicContact CG2-CG 4.04Å; V68-L70 HydrophobicContact CG1-CD2 3.78Å; L70-I72 HydrophobicContact CB-CD1 4.15Å; L70-I72 HydrophobicContact CB-CG1 3.91Å; L70-V177 HydrophobicContact CD1-CG2 3.84Å; L70-V177 HydrophobicContact CD2-CG2 3.57Å; L70-V177 HydrophobicContact CG-CG2 4.36Å
71Q96.3Very high85.4Confident51 Ų5150.3 Ų50.324%0.23824%0.243CC..EExtended strand (participates in β ladder)trans-94.498.7167.8-77.2-167.8-27.100108.1M19 F20 I22 F56 V58M19-Q71 HydrophobicContact CG-CG 4.05Å; M19-Q71 HydrophobicContact SD-CG 4.02Å; M19-Q71 PolarHBondContact SD-NE2 3.24Å; M19-Q71 VanDerWaalsContact SD-NE2 3.36Å; F20-Q71 PolarHBondContact O-N 2.75Å; I22-Q71 PolarHBondContact N-O 3.18Å; F56-Q71 HydrophobicContact CE2-CB 3.81Å; F56-Q71 HydrophobicContact CE2-CG 4.02Å; F56-Q71 HydrophobicContact CZ-CB 4.23Å; F56-Q71 HydrophobicContact CZ-CG 3.93Å; V58-Q71 HydrophobicContact CG2-CG 4.43Å
72I96.4Very high84Confident0 Ų052.9 Ų52.90%025%0.251CS..EExtended strand (participates in β ladder)trans-102.8121.2-171.5-48.3165.1000109.2I22 I24 L36 Y39 F56 K57 K59 L70 F173I22-I72 HydrophobicContact CG2-CG2 4.48Å; I22-I72 WeakPolarHBondContact O-CA 3.39Å; I24-I72 HydrophobicContact CD1-CG2 4Å; I24-I72 HydrophobicContact CG1-CG2 4.02Å; L36-I72 HydrophobicContact CD1-CB 3.97Å; L36-I72 HydrophobicContact CD1-CD1 4.02Å; L36-I72 HydrophobicContact CD1-CG2 3.59Å; Y39-I72 HydrophobicContact CD1-CD1 3.97Å; Y39-I72 HydrophobicContact CE1-CD1 3.83Å; F56-I72 WeakPolarHBondContact CA-O 3.48Å; K57-I72 PolarHBondContact N-O 2.84Å; K57-I72 PolarHBondContact O-N 2.85Å; K59-I72 HydrophobicContact CB-CD1 4.43Å; L70-I72 HydrophobicContact CB-CD1 4.15Å; L70-I72 HydrophobicContact CB-CG1 3.91Å; I72-F173 HydrophobicContact CD1-CD1 4.27Å; I72-F173 HydrophobicContact CD1-CE1 3.76Å; I72-F173 HydrophobicContact CD1-CZ 4.46Å; I72-F173 HydrophobicContact CG1-CE1 4.31Å; I72-F173 HydrophobicContact CG2-CE1 4.09Å
73W94.3Very high82.5Confident53 Ų5353.1 Ų53.120%0.20126%0.262CS..EExtended strand (participates in β ladder)trans-107.9116.1-178.3-60.880.8000109.1I22 L23 I24 I54 D55 F56 Y88I22-W73 PolarHBondContact O-N 2.9Å; L23-W73 WeakPolarHBondContact CA-O 3.11Å; L23-W73 HydrophobicContact CD1-CB 4.25Å; L23-W73 HydrophobicContact CD1-CG 4.32Å; L23-W73 HydrophobicContact CG-CB 3.98Å; I24-W73 PolarHBondContact N-O 3.37Å; I54-W73 HydrophobicContact CG2-CB 4.28Å; I54-W73 HydrophobicContact CG2-CE3 3.75Å; D55-W73 WeakPolarHBondContact O-CA 3.36Å; F56-W73 HydrophobicContact CB-CE3 4.4Å; F56-W73 HydrophobicContact CB-CZ3 4.49Å; F56-W73 AromaticContact CD2-CD2 3.67Å; F56-W73 HydrophobicContact CD2-CD2 3.67Å; F56-W73 AromaticContact CD2-CE2 3.53Å; F56-W73 AromaticContact CD2-CE3 3.94Å; F56-W73 HydrophobicContact CD2-CE3 3.94Å; F56-W73 HydrophobicContact CD2-CG 4.21Å; F56-W73 HydrophobicContact CD2-CH2 4.04Å; F56-W73 AromaticContact CD2-CZ2 3.74Å; F56-W73 HydrophobicContact CD2-CZ2 3.74Å; F56-W73 HydrophobicContact CD2-CZ3 4.11Å; F56-W73 AromaticContact CD2-NE1 3.91Å; F56-W73 HydrophobicContact CE2-CD2 4.25Å; F56-W73 AromaticContact CE2-CE2 3.63Å; F56-W73 HydrophobicContact CE2-CH2 4.34Å; F56-W73 AromaticContact CE2-CZ2 3.7Å; F56-W73 HydrophobicContact CE2-CZ2 3.7Å; F56-W73 AromaticContact CE2-NE1 3.75Å; W73-Y88 HydrophobicContact CD2-CD1 4.27Å; W73-Y88 AromaticContact CE3-CD1 3.73Å; W73-Y88 HydrophobicContact CE3-CD1 3.73Å; W73-Y88 AromaticContact CE3-CE1 3.86Å; W73-Y88 HydrophobicContact CE3-CE1 3.86Å; W73-Y88 HydrophobicContact CH2-CD1 4.31Å; W73-Y88 HydrophobicContact CH2-CE1 4.12Å; W73-Y88 AromaticContact CZ3-CD1 3.75Å; W73-Y88 HydrophobicContact CZ3-CD1 3.75Å; W73-Y88 AromaticContact CZ3-CE1 3.47Å; W73-Y88 HydrophobicContact CZ3-CE1 3.47Å; W73-Y88 VanDerWaalsContact CZ3-CE1 3.47Å
74D92.1Very high81.4Confident0 Ų054.5 Ų54.50%027%0.273CS..EExtended strand (participates in β ladder)trans-94.1116.4173.7173.442.1000109.6K32 T33 L36 I54 D55K32-D74 VanDerWaalsContact CB-OD1 3.24Å; K32-D74 WeakPolarHBondContact CB-OD1 3.37Å; T33-D74 WeakPolarHBondContact CA-OD2 3.43Å; T33-D74 VanDerWaalsContact CB-OD2 3.28Å; T33-D74 WeakPolarHBondContact CB-OD2 3.37Å; T33-D74 PolarHBondContact OG1-OD2 2.8Å; L36-D74 HydrophobicContact CD2-CB 3.66Å; I54-D74 CarbonylContact C-O 3.47Å; I54-D74 VanDerWaalsContact CA-O 3.24Å; I54-D74 WeakPolarHBondContact CA-O 3.28Å; I54-D74 WeakPolarHBondContact CG2-O 3.31Å; D55-D74 HydrophobicContact CB-CB 4.3Å; D55-D74 PolarHBondContact N-O 2.78Å; D55-D74 PolarHBondContact O-N 2.96Å
75T86.6Confident80.8Confident0 Ų050.9 Ų50.90%024%0.235CC..EExtended strand (participates in β ladder)trans-99.9143.2-17368.70000111.8I24 I25 K32 I54 G77 T85I24-T75 PolarHBondContact O-N 2.6Å; I24-T75 PolarHBondContact O-OG1 3.19Å; I25-T75 HydrophobicContact CG2-CG2 4.46Å; K32-T75 WeakPolarHBondContact CE-O 3.46Å; I54-T75 HydrophobicContact CD1-CG2 4.26Å; I54-T75 HydrophobicContact CG1-CG2 4.39Å; I54-T75 HydrophobicContact CG2-CG2 4.48Å; T75-G77 PolarHBondContact O-N 2.82Å; T75-T85 HydrophobicContact CG2-CG2 4Å
76A79.4Confident80.2Confident1 Ų146 Ų461%0.00821%0.21CC..PPolyproline II helixtrans-58.1132.1166.600000110.8T51 G53 Y81T51-A76 VanDerWaalsContact O-CB 3.26Å; T51-A76 WeakPolarHBondContact O-CB 3.38Å; G53-A76 WeakPolarHBondContact O-CB 3.29Å; G53-A76 PolarHBondContact O-N 3.14Å; A76-Y81 HydrophobicContact CB-CD2 3.69Å; A76-Y81 HydrophobicContact CB-CE2 4.44Å; A76-Y81 HydrophobicContact CB-CG 4.26Å
77G69.2Low79.8Confident7 Ų746.1 Ų46.17%0.07222%0.223CC..  trans-905-179.300000114.9G26 N27 S28 T75G26-G77 VanDerWaalsContact O-CA 3.22Å; G26-G77 WeakPolarHBondContact O-CA 3.07Å; N27-G77 CarbonylContact C-O 3.58Å; S28-G77 PolarHBondContact N-O 3.45Å; T75-G77 PolarHBondContact O-N 2.82Å
78Q65.8Low79.4Confident29 Ų2946.9 Ų46.914%0.13623%0.227CC..  trans-76.6139.9-179.9-61.9-178.834.900110.5R80 Y81Q78-R80 PolarHBondContact O-N 3.36Å; Q78-Y81 HydrophobicContact CB-CD2 3.87Å; Q78-Y81 HydrophobicContact CB-CE2 4.33Å; Q78-Y81 PolarHBondContact O-N 3.33Å
79E59.5Low79.1Confident121 Ų12146.8 Ų46.857%0.56523%0.227SC*.G310 helixtrans-49.3-41175.166.6-59.4139.700112.8Y81 R82E79-Y81 PolarHBondContact O-N 2.73Å; E79-R82 WeakPolarHBondContact O-CB 3.43Å; E79-R82 PolarHBondContact O-N 3.04Å; E79-R82 VanDerWaalsContact O-N 3.09Å
80R60Low78.8Confident179 Ų17955.3 Ų55.368%0.67526%0.258SS*.G310 helixtrans-59.6-19.1177.3-70.2-175.9-64.5162.93.8114.1Q78Q78-R80 PolarHBondContact O-N 3.36Å
81Y63.9Low78.4Confident60 Ų6057.2 Ų57.224%0.23528%0.277CS..G310 helixtrans-108.85.1-179.8-57.8-58.3000113.8A76 Q78 E79 T83 I84 T85A76-Y81 HydrophobicContact CB-CD2 3.69Å; A76-Y81 HydrophobicContact CB-CE2 4.44Å; A76-Y81 HydrophobicContact CB-CG 4.26Å; Q78-Y81 HydrophobicContact CB-CD2 3.87Å; Q78-Y81 HydrophobicContact CB-CE2 4.33Å; Q78-Y81 PolarHBondContact O-N 3.33Å; E79-Y81 PolarHBondContact O-N 2.73Å; Y81-T83 VanDerWaalsContact C-N 3.32Å; Y81-T83 PolarHBondContact O-N 3.28Å; Y81-I84 HydrophobicContact CD1-CD1 3.91Å; Y81-I84 PolarHBondContact O-N 2.93Å; Y81-T85 PolarHBondContact O-N 3.49Å; Y81-T85 PolarHBondContact O-OG1 3.16Å
82R65.6Low78.4Confident71 Ų7154.8 Ų54.827%0.26827%0.266SS..Hα-helixtrans-55.5-43.2-179.6-78.8179.3179.1-161.11.4112.5E79 I84 T85 T86 W113E79-R82 WeakPolarHBondContact O-CB 3.43Å; E79-R82 PolarHBondContact O-N 3.04Å; E79-R82 VanDerWaalsContact O-N 3.09Å; R82-I84 VanDerWaalsContact C-N 3.34Å; R82-I84 PolarHBondContact O-N 3.01Å; R82-T85 WeakPolarHBondContact O-CB 3.28Å; R82-T85 PolarHBondContact O-N 2.75Å; R82-T85 VanDerWaalsContact O-N 3.17Å; R82-T86 PolarHBondContact O-N 2.9Å; R82-T86 VanDerWaalsContact O-N 3.13Å; R82-W113 HydrophobicContact CG-CH2 4.05Å
83T62.4Low78.3Confident119 Ų11956.4 Ų56.473%0.7327%0.274SS*.Hα-helixtrans-65.1-35.1177.1-49.20000113.1Y81 T85 T86Y81-T83 VanDerWaalsContact C-N 3.32Å; Y81-T83 PolarHBondContact O-N 3.28Å; T83-T85 VanDerWaalsContact C-N 3.3Å; T83-T86 PolarHBondContact O-OG1 3.31Å; T83-T86 VanDerWaalsContact O-OG1 3.09Å
84I66.6Low78.4Confident83 Ų8353.9 Ų53.943%0.42626%0.264SS..Hα-helixtrans-67.9-39.4175.7-58.9-174.6000109.3Y81 R82 A87 Y88Y81-I84 HydrophobicContact CD1-CD1 3.91Å; Y81-I84 PolarHBondContact O-N 2.93Å; R82-I84 VanDerWaalsContact C-N 3.34Å; R82-I84 PolarHBondContact O-N 3.01Å; I84-A87 WeakPolarHBondContact O-CB 3.38Å; I84-A87 PolarHBondContact O-N 3.43Å; I84-Y88 HydrophobicContact CG2-CE2 4.15Å; I84-Y88 WeakPolarHBondContact O-CD2 3.28Å
85T74.4Confident78.7Confident1 Ų153.9 Ų53.91%0.00626%0.264CS..Hα-helixtrans-63.9-43.4-177.3-56.80000112.1T75 Y81 R82 T83 A87 Y88 Y89 W113T75-T85 HydrophobicContact CG2-CG2 4Å; Y81-T85 PolarHBondContact O-N 3.49Å; Y81-T85 PolarHBondContact O-OG1 3.16Å; R82-T85 WeakPolarHBondContact O-CB 3.28Å; R82-T85 PolarHBondContact O-N 2.75Å; R82-T85 VanDerWaalsContact O-N 3.17Å; T83-T85 VanDerWaalsContact C-N 3.3Å; T85-A87 VanDerWaalsContact C-N 3.27Å; T85-A87 PolarHBondContact O-N 2.94Å; T85-Y88 PolarHBondContact O-N 3.44Å; T85-Y89 HydrophobicContact CG2-CE1 3.59Å; T85-Y89 VanDerWaalsContact O-CD1 3.23Å; T85-Y89 WeakPolarHBondContact O-CD1 3.49Å; T85-Y89 WeakPolarHBondContact O-CE1 3.31Å; T85-W113 HydrophobicContact CG2-CZ3 4.4Å
86T78.7Confident79.2Confident27 Ų2753.9 Ų53.917%0.16626%0.264CS..Hα-helixtrans-64.7-28.4-178.556.80000113.4R82 T83 Y88 Y89 Y120R82-T86 PolarHBondContact O-N 2.9Å; R82-T86 VanDerWaalsContact O-N 3.13Å; T83-T86 PolarHBondContact O-OG1 3.31Å; T83-T86 VanDerWaalsContact O-OG1 3.09Å; T86-Y88 PolarHBondContact O-N 3.43Å; T86-Y89 HydrophobicContact CG2-CE2 4.49Å; T86-Y89 WeakPolarHBondContact O-CB 3.3Å; T86-Y89 PolarHBondContact O-N 3.01Å; T86-Y89 VanDerWaalsContact O-N 3.08Å; T86-Y120 HydrophobicContact CG2-CD2 3.59Å; T86-Y120 HydrophobicContact CG2-CE2 3.78Å; T86-Y120 HydrophobicContact CG2-CG 4.33Å
87A82.2Confident80.1Confident71 Ų7153.9 Ų53.959%0.58726%0.264SS*.Hα-helixtrans-60.6-27.8174.600000112.8I84 T85I84-A87 WeakPolarHBondContact O-CB 3.38Å; I84-A87 PolarHBondContact O-N 3.43Å; T85-A87 VanDerWaalsContact C-N 3.27Å; T85-A87 PolarHBondContact O-N 2.94Å
88Y85.8Confident81.5Confident81 Ų8153.6 Ų53.632%0.31826%0.261SS..THydrogen-bonded Turntrans-84.9-9.9179.5-69.2-100.2000113K21 I54 W73 I84 T85 T86 R90K21-Y88 WeakPolarHBondContact CE-O 3.47Å; K21-Y88 PolarHBondContact NZ-O 3.44Å; I54-Y88 HydrophobicContact CD1-CD1 3.95Å; I54-Y88 HydrophobicContact CD1-CD2 3.18Å; I54-Y88 HydrophobicContact CD1-CE1 3.97Å; I54-Y88 HydrophobicContact CD1-CE2 3.22Å; I54-Y88 HydrophobicContact CD1-CG 3.57Å; I54-Y88 HydrophobicContact CG1-CE2 4.49Å; W73-Y88 HydrophobicContact CD2-CD1 4.27Å; W73-Y88 AromaticContact CE3-CD1 3.73Å; W73-Y88 HydrophobicContact CE3-CD1 3.73Å; W73-Y88 AromaticContact CE3-CE1 3.86Å; W73-Y88 HydrophobicContact CE3-CE1 3.86Å; W73-Y88 HydrophobicContact CH2-CD1 4.31Å; W73-Y88 HydrophobicContact CH2-CE1 4.12Å; W73-Y88 AromaticContact CZ3-CD1 3.75Å; W73-Y88 HydrophobicContact CZ3-CD1 3.75Å; W73-Y88 AromaticContact CZ3-CE1 3.47Å; W73-Y88 HydrophobicContact CZ3-CE1 3.47Å; W73-Y88 VanDerWaalsContact CZ3-CE1 3.47Å; I84-Y88 HydrophobicContact CG2-CE2 4.15Å; I84-Y88 WeakPolarHBondContact O-CD2 3.28Å; T85-Y88 PolarHBondContact O-N 3.44Å; T86-Y88 PolarHBondContact O-N 3.43Å; Y88-R90 PolarHBondContact O-N 2.86Å
89Y90.1Very high83Confident0 Ų052.2 Ų52.20%025%0.254CS..THydrogen-bonded Turntrans-69.2-26.8-178.9-71.916.4000111.5L23 I25 T85 T86 G91 A92 F95 Q116 I117L23-Y89 HydrophobicContact CD2-CD1 3.48Å; L23-Y89 VanDerWaalsContact CD2-CD1 3.48Å; L23-Y89 HydrophobicContact CD2-CE1 3.84Å; I25-Y89 HydrophobicContact CG2-CE1 4.04Å; T85-Y89 HydrophobicContact CG2-CE1 3.59Å; T85-Y89 VanDerWaalsContact O-CD1 3.23Å; T85-Y89 WeakPolarHBondContact O-CD1 3.49Å; T85-Y89 WeakPolarHBondContact O-CE1 3.31Å; T86-Y89 HydrophobicContact CG2-CE2 4.49Å; T86-Y89 WeakPolarHBondContact O-CB 3.3Å; T86-Y89 PolarHBondContact O-N 3.01Å; T86-Y89 VanDerWaalsContact O-N 3.08Å; Y89-G91 PolarHBondContact O-N 3.48Å; Y89-A92 WeakPolarHBondContact O-CB 3.44Å; Y89-A92 PolarHBondContact O-N 3.04Å; Y89-F95 AromaticContact CD1-CE1 3.74Å; Y89-F95 HydrophobicContact CD1-CE1 3.74Å; Y89-F95 HydrophobicContact CD1-CZ 4.24Å; Y89-F95 HydrophobicContact CD2-CE1 4.13Å; Y89-F95 HydrophobicContact CD2-CZ 4.25Å; Y89-F95 AromaticContact CE1-CE1 3.92Å; Y89-F95 HydrophobicContact CE1-CE1 3.92Å; Y89-F95 HydrophobicContact CE2-CE1 4.33Å; Y89-F95 AromaticContact CG-CE1 3.84Å; Y89-F95 HydrophobicContact CG-CE1 3.84Å; Y89-F95 AromaticContact CG-CZ 3.94Å; Y89-F95 HydrophobicContact CG-CZ 3.94Å; Y89-Q116 HydrophobicContact CE2-CB 3.98Å; Y89-I117 HydrophobicContact CE2-CG1 3.97Å
90R88Confident84.9Confident208 Ų20846.7 Ų46.779%0.78523%0.229SC*.THydrogen-bonded Turntrans-59.4124.6177.6-172.5173.1-179.4821.4110.9K21 Y88 A92K21-R90 PolarHBondContact NZ-O 3.46Å; Y88-R90 PolarHBondContact O-N 2.86Å; R90-A92 PolarHBondContact O-N 3.48Å
91G90.4Very high86.7Confident39 Ų3938.1 Ų38.140%0.40220%0.196SC..THydrogen-bonded Turntrans72.75.8-179.400000114.6Y89 M93Y89-G91 PolarHBondContact O-N 3.48Å; G91-M93 PolarHBondContact O-N 3.32Å
92A94.3Very high88.4Confident0 Ų036.8 Ų36.80%019%0.194CC..  trans-66.3129.2168.300000109.2L23 Y89 R90 F95L23-A92 HydrophobicContact CD1-CB 3.61Å; Y89-A92 WeakPolarHBondContact O-CB 3.44Å; Y89-A92 PolarHBondContact O-N 3.04Å; R90-A92 PolarHBondContact O-N 3.48Å; A92-F95 HydrophobicContact CB-CD2 4.45Å; A92-F95 HydrophobicContact CB-CE1 4.18Å; A92-F95 HydrophobicContact CB-CE2 3.54Å; A92-F95 HydrophobicContact CB-CZ 3.39Å
93M95.4Very high89.9Confident35 Ų3535.8 Ų35.817%0.17220%0.195CC..  trans-94.9-26.9177.6-61.1173.975.400111F20 K21 G91 Q126 I180 M184F20-M93 HydrophobicContact CB-SD 4.3Å; F20-M93 HydrophobicContact CD1-CE 3.58Å; F20-M93 HydrophobicContact CD1-SD 3.61Å; F20-M93 HydrophobicContact CE1-CE 3.79Å; F20-M93 HydrophobicContact CE1-SD 4.4Å; F20-M93 HydrophobicContact CG-CE 4.47Å; F20-M93 HydrophobicContact CG-SD 4.27Å; K21-M93 PolarHBondContact O-N 3.37Å; G91-M93 PolarHBondContact O-N 3.32Å; M93-Q126 PolarHBondContact O-N 3.36Å; M93-I180 HydrophobicContact CB-CD1 4.23Å; M93-I180 HydrophobicContact CB-CG2 4.16Å; M93-I180 HydrophobicContact CE-CG2 3.67Å; M93-M184 HydrophobicContact CE-CG 4.13Å; M93-M184 HydrophobicContact CE-SD 3.5Å; M93-M184 VanDerWaalsContact CE-SD 3.5Å
94G97Very high91.6Very high0 Ų033.2 Ų33.20%017%0.174CC..EExtended strand (participates in β ladder)trans-138.9147.7-178.900000113.1K21 I22 L23 Q126K21-G94 PolarHBondContact O-N 2.99Å; I22-G94 VanDerWaalsContact CA-O 3.28Å; I22-G94 WeakPolarHBondContact CA-O 3.26Å; L23-G94 PolarHBondContact N-O 3.42Å; G94-Q126 CarbonylContact C-O 3.51Å; G94-Q126 VanDerWaalsContact CA-O 3.26Å; G94-Q126 WeakPolarHBondContact CA-O 3.48Å
95F97.3Very high93Very high0 Ų035.7 Ų35.70%018%0.184CC..EExtended strand (participates in β ladder)trans-130134.7173.2-66.8-97000110L23 I25 Y89 A92 I117 A125 Q126 V127 V128L23-F95 HydrophobicContact CB-CD1 3.82Å; L23-F95 HydrophobicContact CB-CE1 3.95Å; L23-F95 HydrophobicContact CD2-CE1 3.83Å; L23-F95 HydrophobicContact CG-CE1 4.38Å; L23-F95 CarbonylContact O-C 3.56Å; L23-F95 WeakPolarHBondContact O-CA 3.45Å; I25-F95 HydrophobicContact CD1-CD1 4.31Å; I25-F95 HydrophobicContact CG2-CD1 4.26Å; Y89-F95 AromaticContact CD1-CE1 3.74Å; Y89-F95 HydrophobicContact CD1-CE1 3.74Å; Y89-F95 HydrophobicContact CD1-CZ 4.24Å; Y89-F95 HydrophobicContact CD2-CE1 4.13Å; Y89-F95 HydrophobicContact CD2-CZ 4.25Å; Y89-F95 AromaticContact CE1-CE1 3.92Å; Y89-F95 HydrophobicContact CE1-CE1 3.92Å; Y89-F95 HydrophobicContact CE2-CE1 4.33Å; Y89-F95 AromaticContact CG-CE1 3.84Å; Y89-F95 HydrophobicContact CG-CE1 3.84Å; Y89-F95 AromaticContact CG-CZ 3.94Å; Y89-F95 HydrophobicContact CG-CZ 3.94Å; A92-F95 HydrophobicContact CB-CD2 4.45Å; A92-F95 HydrophobicContact CB-CE1 4.18Å; A92-F95 HydrophobicContact CB-CE2 3.54Å; A92-F95 HydrophobicContact CB-CZ 3.39Å; F95-I117 HydrophobicContact CB-CD1 3.99Å; F95-I117 HydrophobicContact CD1-CD1 4.05Å; F95-I117 HydrophobicContact CD1-CG1 3.87Å; F95-I117 HydrophobicContact CD2-CG1 4.49Å; F95-I117 HydrophobicContact CD2-CG2 3.75Å; F95-I117 HydrophobicContact CE1-CG1 4.04Å; F95-I117 HydrophobicContact CE1-CG2 4.49Å; F95-I117 HydrophobicContact CE2-CG2 3.71Å; F95-I117 HydrophobicContact CG-CD1 3.97Å; F95-I117 HydrophobicContact CG-CG1 4.1Å; F95-I117 HydrophobicContact CG-CG2 4.18Å; F95-I117 HydrophobicContact CZ-CG1 4.44Å; F95-I117 HydrophobicContact CZ-CG2 4.1Å; F95-A125 HydrophobicContact CD2-CB 4.06Å; F95-A125 HydrophobicContact CE2-CB 3.72Å; F95-Q126 PolarHBondContact N-O 2.69Å; F95-V127 HydrophobicContact CB-CB 4.43Å; F95-V127 HydrophobicContact CB-CG1 4.13Å; F95-V127 HydrophobicContact CB-CG2 4.13Å; F95-V127 HydrophobicContact CD2-CG2 4.37Å; F95-V127 WeakPolarHBondContact O-CA 3.28Å; F95-V128 PolarHBondContact O-N 3.33Å
96I98.2Very high94.1Very high0 Ų035.8 Ų35.80%019%0.185CC..EExtended strand (participates in β ladder)trans-101.4106.2162.7-61.2176.2000105.9I22 L23 I24 I25 F35 M98 V130 V172 F173 L176I22-I96 HydrophobicContact CG2-CG1 4.48Å; L23-I96 PolarHBondContact O-N 3.08Å; I24-I96 WeakPolarHBondContact CA-O 3.4Å; I24-I96 HydrophobicContact CG1-CB 4.39Å; I24-I96 HydrophobicContact CG1-CD1 4.39Å; I24-I96 HydrophobicContact CG2-CB 4.23Å; I24-I96 HydrophobicContact CG2-CG2 4.22Å; I25-I96 PolarHBondContact N-O 3.4Å; F35-I96 HydrophobicContact CE1-CD1 4.38Å; I96-M98 HydrophobicContact CG2-CE 4.49Å; I96-V130 HydrophobicContact CG2-CB 4.42Å; I96-V130 HydrophobicContact CG2-CG2 3.73Å; I96-V172 HydrophobicContact CD1-CG1 3.89Å; I96-V172 HydrophobicContact CG1-CG1 4.15Å; I96-V172 HydrophobicContact CG2-CG1 4.22Å; I96-F173 HydrophobicContact CD1-CD1 3.81Å; I96-F173 HydrophobicContact CD1-CD2 4.34Å; I96-F173 HydrophobicContact CD1-CE1 3.48Å; I96-F173 VanDerWaalsContact CD1-CE1 3.48Å; I96-F173 HydrophobicContact CD1-CE2 4.06Å; I96-F173 HydrophobicContact CD1-CG 4.23Å; I96-F173 HydrophobicContact CD1-CZ 3.63Å; I96-L176 HydrophobicContact CD1-CD2 4.32Å; I96-L176 HydrophobicContact CG1-CD2 3.71Å
97L97.3Very high95.1Very high0 Ų035 Ų350%018%0.179CC..EExtended strand (participates in β ladder)trans-92.7114176174.251.5000108.7I25 V110 W113 C114 V127 V128 L129 V130I25-L97 HydrophobicContact CD1-CD1 3.94Å; I25-L97 HydrophobicContact CG1-CB 4.23Å; I25-L97 HydrophobicContact CG1-CD1 3.85Å; L97-V110 HydrophobicContact CD2-CG1 3.81Å; L97-V110 HydrophobicContact CG-CG1 4.4Å; L97-W113 HydrophobicContact CD1-CB 3.48Å; L97-W113 VanDerWaalsContact CD1-CB 3.48Å; L97-W113 HydrophobicContact CD1-CG 3.85Å; L97-W113 HydrophobicContact CD2-CB 4.06Å; L97-W113 HydrophobicContact CG-CB 4.45Å; L97-C114 HydrophobicContact CD2-CB 4.32Å; L97-V127 HydrophobicContact CB-CG1 4Å; L97-V128 PolarHBondContact N-O 3.35Å; L97-L129 HydrophobicContact CB-CD1 4.4Å; L97-L129 HydrophobicContact CD2-CD1 4.32Å; L97-L129 HydrophobicContact CG-CD1 3.95Å; L97-L129 CarbonylContact O-C 3.49Å; L97-L129 WeakPolarHBondContact O-CA 3.29Å; L97-L129 WeakPolarHBondContact O-CD1 3.48Å; L97-V130 PolarHBondContact O-N 3.02Å
98M98.2Very high95.8Very high1 Ų135.8 Ų35.81%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-112134.2-171.7-170.7176.3-73.500112.2I24 I25 G26 V30 K32 F35 I96 V130 N132I24-M98 HydrophobicContact CG2-CE 4.48Å; I25-M98 PolarHBondContact O-N 2.93Å; G26-M98 WeakPolarHBondContact CA-O 3.34Å; V30-M98 HydrophobicContact CB-CG 4.23Å; V30-M98 HydrophobicContact CG2-CB 4.01Å; V30-M98 HydrophobicContact CG2-CG 3.84Å; V30-M98 HydrophobicContact CG2-SD 4.02Å; K32-M98 HydrophobicContact CG-CB 4.39Å; K32-M98 HydrophobicContact CG-SD 4.11Å; F35-M98 HydrophobicContact CB-CE 3.66Å; F35-M98 HydrophobicContact CD1-CE 3.84Å; F35-M98 HydrophobicContact CD2-CE 3.67Å; F35-M98 HydrophobicContact CE1-CE 4.37Å; F35-M98 HydrophobicContact CE2-CE 4.21Å; F35-M98 HydrophobicContact CG-CE 3.46Å; F35-M98 VanDerWaalsContact CG-CE 3.46Å; I96-M98 HydrophobicContact CG2-CE 4.49Å; M98-V130 WeakPolarHBondContact CA-O 3.35Å; M98-V130 HydrophobicContact CE-CG1 4.34Å; M98-N132 HydrophobicContact CE-CB 4.28Å; M98-N132 HydrophobicContact CG-CB 3.75Å; M98-N132 HydrophobicContact SD-CB 3.69Å
99Y98.5Very high96.2Very high0 Ų032.5 Ų32.50%016%0.162CC..EExtended strand (participates in β ladder)trans-120.9171.2161.875.6-86.6000109.9I101 F107 V110 L129 V130 G131 N132 V142 F158Y99-I101 HydrophobicContact CE2-CG2 3.96Å; Y99-F107 HydrophobicContact CD1-CD2 4.2Å; Y99-F107 HydrophobicContact CD2-CB 3.9Å; Y99-F107 AromaticContact CD2-CD2 3.92Å; Y99-F107 HydrophobicContact CD2-CD2 3.92Å; Y99-F107 HydrophobicContact CD2-CG 4.4Å; Y99-F107 HydrophobicContact CE1-CD2 4.02Å; Y99-F107 HydrophobicContact CE1-CE2 4.43Å; Y99-F107 HydrophobicContact CE2-CB 4.38Å; Y99-F107 AromaticContact CE2-CD2 3.78Å; Y99-F107 HydrophobicContact CE2-CD2 3.78Å; Y99-F107 HydrophobicContact CE2-CG 4.48Å; Y99-F107 HydrophobicContact CG-CB 4.34Å; Y99-F107 HydrophobicContact CG-CD2 4.14Å; Y99-F107 AromaticContact CZ-CD2 3.83Å; Y99-V110 HydrophobicContact CD1-CG2 4.13Å; Y99-V110 HydrophobicContact CG-CG2 4.34Å; Y99-L129 HydrophobicContact CD1-CD1 4.01Å; Y99-L129 HydrophobicContact CD1-CG 4.43Å; Y99-L129 HydrophobicContact CE1-CD1 4.34Å; Y99-L129 HydrophobicContact CE1-CD2 4.43Å; Y99-L129 HydrophobicContact CE1-CG 4.27Å; Y99-V130 WeakPolarHBondContact CD1-O 3.43Å; Y99-V130 PolarHBondContact N-O 2.82Å; Y99-G131 VanDerWaalsContact CE1-CA 3.42Å; Y99-G131 VanDerWaalsContact CZ-CA 3.44Å; Y99-N132 PolarHBondContact O-N 2.85Å; Y99-V142 HydrophobicContact CE2-CB 4.05Å; Y99-V142 HydrophobicContact CE2-CG1 3.8Å; Y99-V142 HydrophobicContact CE2-CG2 4.35Å; Y99-F158 HydrophobicContact CE1-CE2 4.01Å
100D98.4Very high96.5Very high5 Ų532.6 Ų32.63%0.02716%0.163CC..EExtended strand (participates in β ladder)trans-108.2124.9176.71751.5000109.4V30 T102 N103 S106 K133V30-D100 HydrophobicContact CB-CB 4.2Å; V30-D100 HydrophobicContact CG1-CB 4.13Å; D100-T102 PolarHBondContact O-N 3.47Å; D100-T102 VanDerWaalsContact O-N 3.13Å; D100-T102 PolarHBondContact OD1-N 2.86Å; D100-T102 PolarHBondContact OD1-OG1 3.23Å; D100-T102 PolarHBondContact OD2-OG1 3.26Å; D100-N103 HydrophobicContact CB-CB 3.96Å; D100-N103 PolarHBondContact O-N 2.98Å; D100-S106 PolarHBondContact N-OG 2.97Å; D100-S106 PolarHBondContact O-OG 2.92Å; D100-K133 WeakPolarHBondContact OD1-CD 3.46Å; D100-K133 WeakPolarHBondContact OD2-CD 2.83Å; D100-K133 WeakPolarHBondContact OD2-CE 3.47Å; D100-K133 IonicContact OD2-NZ 2.73Å; D100-K133 PolarHBondContact OD2-NZ 2.89Å
101I98.8Very high96.9Very high0 Ų027.5 Ų27.50%015%0.148CC..THydrogen-bonded Turntrans-64.4-16.9-176.665.4151.1000113.6Y99 N132 K133 C134 R140 V141 V142Y99-I101 HydrophobicContact CE2-CG2 3.96Å; I101-N132 WeakPolarHBondContact CG1-O 3.39Å; I101-N132 PolarHBondContact N-O 3.06Å; I101-N132 VanDerWaalsContact N-O 3.08Å; I101-K133 WeakPolarHBondContact CD1-O 3.45Å; I101-K133 WeakPolarHBondContact CG1-O 3.46Å; I101-C134 HydrophobicContact CD1-CB 4.45Å; I101-R140 HydrophobicContact CD1-CB 4.28Å; I101-R140 HydrophobicContact CD1-CG 4.25Å; I101-V141 PolarHBondContact O-N 2.63Å; I101-V142 PolarHBondContact O-N 3.33Å
102T98.5Very high97Very high31 Ų3129.8 Ų29.819%0.1915%0.151CC..THydrogen-bonded Turntrans-94.50.5176.175.10000112.4D100 M136 E139 V141D100-T102 PolarHBondContact O-N 3.47Å; D100-T102 VanDerWaalsContact O-N 3.13Å; D100-T102 PolarHBondContact OD1-N 2.86Å; D100-T102 PolarHBondContact OD1-OG1 3.23Å; D100-T102 PolarHBondContact OD2-OG1 3.26Å; T102-M136 HydrophobicContact CG2-CB 3.68Å; T102-M136 HydrophobicContact CG2-CE 4.29Å; T102-M136 HydrophobicContact CG2-SD 4.28Å; T102-E139 WeakPolarHBondContact CA-O 3.43Å; T102-E139 WeakPolarHBondContact CB-O 3.43Å; T102-E139 HydrophobicContact CG2-CB 3.78Å; T102-V141 VanDerWaalsContact C-CG2 3.43Å; T102-V141 WeakPolarHBondContact O-CG2 3.26Å
103N97.9Very high96.9Very high51 Ų5129.9 Ų29.927%0.27315%0.151SC..  trans-128.5101.5-176.7-171.2-53.7000112.6D100 E105 S106 F107D100-N103 HydrophobicContact CB-CB 3.96Å; D100-N103 PolarHBondContact O-N 2.98Å; N103-E105 VanDerWaalsContact C-N 3.35Å; N103-E105 PolarHBondContact O-N 3.4Å; N103-E105 WeakPolarHBondContact OD1-CB 3.26Å; N103-E105 PolarHBondContact OD1-N 3.02Å; N103-E105 VanDerWaalsContact OD1-N 3.1Å; N103-S106 WeakPolarHBondContact O-CB 3.47Å; N103-S106 PolarHBondContact O-N 3.45Å; N103-S106 PolarHBondContact O-OG 2.68Å; N103-S106 PolarHBondContact OD1-N 3.24Å; N103-F107 PolarHBondContact O-N 2.94Å
104E98Very high96.8Very high64 Ų6428.3 Ų28.330%0.29914%0.144SC..Hα-helixtrans-58.1-39.2178.8-177.561.3-15400113.7S106 F107 N108 V141 R146E104-S106 VanDerWaalsContact C-N 3.34Å; E104-S106 PolarHBondContact O-N 3.44Å; E104-F107 PolarHBondContact O-N 2.87Å; E104-N108 PolarHBondContact O-N 2.98Å; E104-N108 PolarHBondContact O-ND2 2.93Å; E104-N108 VanDerWaalsContact O-ND2 3.14Å; E104-N108 PolarHBondContact OE1-ND2 2.98Å; E104-N108 PolarHBondContact OE1-OD1 2.91Å; E104-V141 HydrophobicContact CB-CG2 4.1Å; E104-R146 IonicContact OE1-CZ 3.04Å; E104-R146 IonicContact OE1-NH1 2.68Å; E104-R146 PolarHBondContact OE1-NH1 3.08Å; E104-R146 IonicContact OE1-NH2 3.01Å; E104-R146 PolarHBondContact OE1-NH2 3.27Å; E104-R146 IonicContact OE2-CZ 3.59Å; E104-R146 IonicContact OE2-NH1 2.75Å; E104-R146 PolarHBondContact OE2-NH1 3.2Å
105E96.8Very high96.5Very high136 Ų13632.3 Ų32.364%0.63617%0.168SC*.Hα-helixtrans-65-39.2179-175.7-174.5173.600111.7N103 F107 N108 S109N103-E105 VanDerWaalsContact C-N 3.35Å; N103-E105 PolarHBondContact O-N 3.4Å; N103-E105 WeakPolarHBondContact OD1-CB 3.26Å; N103-E105 PolarHBondContact OD1-N 3.02Å; N103-E105 VanDerWaalsContact OD1-N 3.1Å; E105-F107 VanDerWaalsContact C-N 3.29Å; E105-F107 PolarHBondContact O-N 2.83Å; E105-N108 PolarHBondContact O-N 3.46Å; E105-S109 WeakPolarHBondContact O-CB 3.33Å; E105-S109 PolarHBondContact O-N 2.84Å; E105-S109 PolarHBondContact O-OG 2.86Å
106S97.2Very high96.2Very high3 Ų333.8 Ų33.82%0.02118%0.175CC..Hα-helixtrans-63.6-37.1176.881.70000111.8D100 N103 E104D100-S106 PolarHBondContact N-OG 2.97Å; D100-S106 PolarHBondContact O-OG 2.92Å; N103-S106 WeakPolarHBondContact O-CB 3.47Å; N103-S106 PolarHBondContact O-N 3.45Å; N103-S106 PolarHBondContact O-OG 2.68Å; N103-S106 PolarHBondContact OD1-N 3.24Å; E104-S106 VanDerWaalsContact C-N 3.34Å; E104-S106 PolarHBondContact O-N 3.44Å
107F98.5Very high95.9Very high10 Ų1034 Ų344%0.04418%0.177CC..Hα-helixtrans-69.3-46.3175177.3-101.9000111.9Y99 N103 E104 E105 S109 V110 V142 R146 L150Y99-F107 HydrophobicContact CD1-CD2 4.2Å; Y99-F107 HydrophobicContact CD2-CB 3.9Å; Y99-F107 AromaticContact CD2-CD2 3.92Å; Y99-F107 HydrophobicContact CD2-CD2 3.92Å; Y99-F107 HydrophobicContact CD2-CG 4.4Å; Y99-F107 HydrophobicContact CE1-CD2 4.02Å; Y99-F107 HydrophobicContact CE1-CE2 4.43Å; Y99-F107 HydrophobicContact CE2-CB 4.38Å; Y99-F107 AromaticContact CE2-CD2 3.78Å; Y99-F107 HydrophobicContact CE2-CD2 3.78Å; Y99-F107 HydrophobicContact CE2-CG 4.48Å; Y99-F107 HydrophobicContact CG-CB 4.34Å; Y99-F107 HydrophobicContact CG-CD2 4.14Å; Y99-F107 AromaticContact CZ-CD2 3.83Å; N103-F107 PolarHBondContact O-N 2.94Å; E104-F107 PolarHBondContact O-N 2.87Å; E105-F107 VanDerWaalsContact C-N 3.29Å; E105-F107 PolarHBondContact O-N 2.83Å; F107-S109 PolarHBondContact O-N 3.46Å; F107-V110 VanDerWaalsContact O-CB 3.25Å; F107-V110 WeakPolarHBondContact O-CB 3.47Å; F107-V110 VanDerWaalsContact O-CG2 3.25Å; F107-V110 WeakPolarHBondContact O-CG2 3.22Å; F107-V110 PolarHBondContact O-N 2.76Å; F107-V142 HydrophobicContact CB-CG1 4.45Å; F107-V142 HydrophobicContact CB-CG2 3.77Å; F107-V142 HydrophobicContact CD1-CG1 4.3Å; F107-V142 HydrophobicContact CD1-CG2 4.47Å; F107-V142 HydrophobicContact CD2-CG1 3.71Å; F107-V142 HydrophobicContact CE2-CG1 3.98Å; F107-V142 HydrophobicContact CG-CG1 3.88Å; F107-V142 HydrophobicContact CG-CG2 4.01Å; F107-V142 HydrophobicContact CZ-CG1 4.38Å; F107-R146 HydrophobicContact CE1-CG 3.85Å; F107-R146 VanDerWaalsContact CE1-NE 3.34Å; F107-R146 HydrophobicContact CZ-CG 3.75Å; F107-L150 HydrophobicContact CD2-CD2 4.23Å; F107-L150 HydrophobicContact CE1-CD2 4.22Å; F107-L150 HydrophobicContact CE2-CB 4.11Å; F107-L150 HydrophobicContact CE2-CD2 3.48Å; F107-L150 VanDerWaalsContact CE2-CD2 3.48Å; F107-L150 HydrophobicContact CE2-CG 4.44Å; F107-L150 HydrophobicContact CZ-CB 3.83Å; F107-L150 HydrophobicContact CZ-CD2 3.49Å; F107-L150 VanDerWaalsContact CZ-CD2 3.49Å; F107-L150 HydrophobicContact CZ-CG 4.28Å
108N96.9Very high95.6Very high87 Ų8740.6 Ų40.647%0.46521%0.205SC..Hα-helixtrans-62.5-27.7178.1-68.9-33.7000112.5E104 E105 V110 R146E104-N108 PolarHBondContact O-N 2.98Å; E104-N108 PolarHBondContact O-ND2 2.93Å; E104-N108 VanDerWaalsContact O-ND2 3.14Å; E104-N108 PolarHBondContact OE1-ND2 2.98Å; E104-N108 PolarHBondContact OE1-OD1 2.91Å; E105-N108 PolarHBondContact O-N 3.46Å; N108-V110 VanDerWaalsContact C-N 3.29Å; N108-V110 PolarHBondContact O-N 2.94Å; N108-R146 PolarHBondContact OD1-NH2 3.41Å
109S95.3Very high95.2Very high13 Ų1344.7 Ų44.79%0.09123%0.23CC..THydrogen-bonded Turntrans-73.9-12.4176.4-58.50000114.2N27 E105 F107 Q111 D112 W113N27-S109 PolarHBondContact ND2-OG 3.44Å; N27-S109 WeakPolarHBondContact OD1-CB 3.28Å; E105-S109 WeakPolarHBondContact O-CB 3.33Å; E105-S109 PolarHBondContact O-N 2.84Å; E105-S109 PolarHBondContact O-OG 2.86Å; F107-S109 PolarHBondContact O-N 3.46Å; S109-Q111 VanDerWaalsContact C-N 3.3Å; S109-Q111 PolarHBondContact O-N 2.56Å; S109-D112 PolarHBondContact O-N 3.23Å; S109-W113 PolarHBondContact O-N 3.01Å; S109-W113 VanDerWaalsContact O-N 3.14Å
110V96.4Very high94.8Very high1 Ų150.6 Ų50.61%0.00625%0.253CS..Hα-helixtrans-58.8-40-175.71670000112.1L97 Y99 F107 N108 D112 W113 C114 L129 L150 L154L97-V110 HydrophobicContact CD2-CG1 3.81Å; L97-V110 HydrophobicContact CG-CG1 4.4Å; Y99-V110 HydrophobicContact CD1-CG2 4.13Å; Y99-V110 HydrophobicContact CG-CG2 4.34Å; F107-V110 VanDerWaalsContact O-CB 3.25Å; F107-V110 WeakPolarHBondContact O-CB 3.47Å; F107-V110 VanDerWaalsContact O-CG2 3.25Å; F107-V110 WeakPolarHBondContact O-CG2 3.22Å; F107-V110 PolarHBondContact O-N 2.76Å; N108-V110 VanDerWaalsContact C-N 3.29Å; N108-V110 PolarHBondContact O-N 2.94Å; V110-D112 PolarHBondContact O-N 2.84Å; V110-W113 PolarHBondContact O-N 3.34Å; V110-C114 WeakPolarHBondContact O-CB 3.41Å; V110-C114 PolarHBondContact O-N 2.93Å; V110-L129 HydrophobicContact CG1-CD1 3.63Å; V110-L129 HydrophobicContact CG1-CD2 4.35Å; V110-L129 HydrophobicContact CG2-CD1 4.02Å; V110-L150 HydrophobicContact CB-CD2 3.92Å; V110-L150 HydrophobicContact CG1-CD2 3.74Å; V110-L154 HydrophobicContact CG1-CD1 4.05Å
111Q95Very high94.2Very high101 Ų10151.5 Ų51.547%0.47226%0.26SS..Hα-helixtrans-64.5-40.1179.7-67.9-174.3-3.200112.2S109 C114 T115 L150S109-Q111 VanDerWaalsContact C-N 3.3Å; S109-Q111 PolarHBondContact O-N 2.56Å; Q111-C114 PolarHBondContact O-N 3.36Å; Q111-T115 PolarHBondContact O-N 3.26Å; Q111-T115 PolarHBondContact O-OG1 2.85Å; Q111-L150 HydrophobicContact CG-CD1 3.95Å
112D92.9Very high93.3Very high87 Ų8759.1 Ų59.147%0.46529%0.289SS..Hα-helixtrans-63.8-44.5176-71.9-9.1000111.2S109 V110 T115 Q116S109-D112 PolarHBondContact O-N 3.23Å; V110-D112 PolarHBondContact O-N 2.84Å; D112-T115 WeakPolarHBondContact O-CB 3.47Å; D112-T115 PolarHBondContact O-N 3.22Å; D112-Q116 WeakPolarHBondContact O-CG 3.28Å; D112-Q116 PolarHBondContact O-N 2.75Å
113W93Very high92.5Very high2 Ų265.1 Ų65.11%0.00832%0.32CS..Hα-helixtrans-61.8-44.2176.1-74.6115.4000112.1I25 N27 R82 T85 L97 S109 V110 T115 Q116 I117I25-W113 HydrophobicContact CD1-CB 4.17Å; I25-W113 HydrophobicContact CD1-CE3 4.08Å; N27-W113 PolarHBondContact OD1-NE1 2.87Å; R82-W113 HydrophobicContact CG-CH2 4.05Å; T85-W113 HydrophobicContact CG2-CZ3 4.4Å; L97-W113 HydrophobicContact CD1-CB 3.48Å; L97-W113 VanDerWaalsContact CD1-CB 3.48Å; L97-W113 HydrophobicContact CD1-CG 3.85Å; L97-W113 HydrophobicContact CD2-CB 4.06Å; L97-W113 HydrophobicContact CG-CB 4.45Å; S109-W113 PolarHBondContact O-N 3.01Å; S109-W113 VanDerWaalsContact O-N 3.14Å; V110-W113 PolarHBondContact O-N 3.34Å; W113-T115 VanDerWaalsContact C-N 3.31Å; W113-T115 PolarHBondContact O-N 2.89Å; W113-Q116 PolarHBondContact O-N 3.44Å; W113-I117 WeakPolarHBondContact O-CG1 3.44Å; W113-I117 PolarHBondContact O-N 3.26Å
114C92.7Very high91.8Very high3 Ų366.2 Ų66.22%0.0233%0.325CS..Hα-helixtrans-60.8-41.1176.5-1730000111.5L97 V110 Q111 Q116 I117 K118 L154L97-C114 HydrophobicContact CD2-CB 4.32Å; V110-C114 WeakPolarHBondContact O-CB 3.41Å; V110-C114 PolarHBondContact O-N 2.93Å; Q111-C114 PolarHBondContact O-N 3.36Å; C114-Q116 PolarHBondContact O-N 2.87Å; C114-I117 PolarHBondContact O-N 3.25Å; C114-K118 WeakPolarHBondContact O-CG 3.22Å; C114-K118 PolarHBondContact O-N 3.22Å; C114-L154 HydrophobicContact CB-CD1 4.33Å
115T91.7Very high91.5Very high84 Ų8464 Ų6452%0.51532%0.319SS..Hα-helixtrans-62-41.7175.2-58.40000111.9Q111 D112 W113 K118 T119Q111-T115 PolarHBondContact O-N 3.26Å; Q111-T115 PolarHBondContact O-OG1 2.85Å; D112-T115 WeakPolarHBondContact O-CB 3.47Å; D112-T115 PolarHBondContact O-N 3.22Å; W113-T115 VanDerWaalsContact C-N 3.31Å; W113-T115 PolarHBondContact O-N 2.89Å; T115-K118 PolarHBondContact O-N 2.56Å; T115-T119 WeakPolarHBondContact O-CB 3.24Å; T115-T119 PolarHBondContact O-N 2.95Å; T115-T119 PolarHBondContact O-OG1 2.9Å
116Q89.8Confident91.5Very high31 Ų3159.5 Ų59.515%0.14530%0.297CS..Hα-helixtrans-64.5-42175.3-69.6176.333.200112.1Y89 D112 W113 C114 T119 Y120Y89-Q116 HydrophobicContact CE2-CB 3.98Å; D112-Q116 WeakPolarHBondContact O-CG 3.28Å; D112-Q116 PolarHBondContact O-N 2.75Å; W113-Q116 PolarHBondContact O-N 3.44Å; C114-Q116 PolarHBondContact O-N 2.87Å; Q116-T119 PolarHBondContact O-N 3Å; Q116-Y120 HydrophobicContact CB-CD2 4.34Å; Q116-Y120 VanDerWaalsContact O-CD2 3.25Å; Q116-Y120 WeakPolarHBondContact O-CD2 3.34Å; Q116-Y120 PolarHBondContact O-N 2.85Å
117I92.2Very high91.5Very high5 Ų560.3 Ų60.33%0.02630%0.302CS..Hα-helixtrans-57.5-53175.1-67163.3000109.5I25 Y89 F95 W113 C114 T119 Y120 S121 V127I25-I117 HydrophobicContact CD1-CD1 3.34Å; I25-I117 HydrophobicContact CD1-CG1 3.62Å; I25-I117 HydrophobicContact CG1-CD1 4.39Å; Y89-I117 HydrophobicContact CE2-CG1 3.97Å; F95-I117 HydrophobicContact CB-CD1 3.99Å; F95-I117 HydrophobicContact CD1-CD1 4.05Å; F95-I117 HydrophobicContact CD1-CG1 3.87Å; F95-I117 HydrophobicContact CD2-CG1 4.49Å; F95-I117 HydrophobicContact CD2-CG2 3.75Å; F95-I117 HydrophobicContact CE1-CG1 4.04Å; F95-I117 HydrophobicContact CE1-CG2 4.49Å; F95-I117 HydrophobicContact CE2-CG2 3.71Å; F95-I117 HydrophobicContact CG-CD1 3.97Å; F95-I117 HydrophobicContact CG-CG1 4.1Å; F95-I117 HydrophobicContact CG-CG2 4.18Å; F95-I117 HydrophobicContact CZ-CG1 4.44Å; F95-I117 HydrophobicContact CZ-CG2 4.1Å; W113-I117 WeakPolarHBondContact O-CG1 3.44Å; W113-I117 PolarHBondContact O-N 3.26Å; C114-I117 PolarHBondContact O-N 3.25Å; I117-T119 PolarHBondContact O-N 3.02Å; I117-T119 VanDerWaalsContact O-N 3.16Å; I117-Y120 PolarHBondContact O-N 3.32Å; I117-S121 WeakPolarHBondContact CG2-OG 3.16Å; I117-S121 WeakPolarHBondContact O-CB 3.21Å; I117-S121 PolarHBondContact O-N 3.22Å; I117-S121 PolarHBondContact O-OG 2.88Å; I117-V127 HydrophobicContact CD1-CG1 4.01Å; I117-V127 HydrophobicContact CD1-CG2 4.07Å; I117-V127 HydrophobicContact CG2-CG2 3.92Å
118K90.6Very high91.5Very high138 Ų13859.8 Ų59.860%0.630%0.3SS*.Hα-helixtrans-58.3-30.6-179.8-72.9175.3179178.10113.1C114 T115C114-K118 WeakPolarHBondContact O-CG 3.22Å; C114-K118 PolarHBondContact O-N 3.22Å; T115-K118 PolarHBondContact O-N 2.56Å
119T90.4Very high91.6Very high87 Ų8755.7 Ų55.753%0.53428%0.278SS..Hα-helixtrans-82.9-37.1-177.2-57.50000113.3T115 Q116 I117T115-T119 WeakPolarHBondContact O-CB 3.24Å; T115-T119 PolarHBondContact O-N 2.95Å; T115-T119 PolarHBondContact O-OG1 2.9Å; Q116-T119 PolarHBondContact O-N 3Å; I117-T119 PolarHBondContact O-N 3.02Å; I117-T119 VanDerWaalsContact O-N 3.16Å
120Y88.8Confident91.8Very high124 Ų12455 Ų5549%0.48627%0.274SS..Hα-helixtrans-116.1-9.6-168.6-58.5-67.5000115T86 Q116 I117T86-Y120 HydrophobicContact CG2-CD2 3.59Å; T86-Y120 HydrophobicContact CG2-CE2 3.78Å; T86-Y120 HydrophobicContact CG2-CG 4.33Å; Q116-Y120 HydrophobicContact CB-CD2 4.34Å; Q116-Y120 VanDerWaalsContact O-CD2 3.25Å; Q116-Y120 WeakPolarHBondContact O-CD2 3.34Å; Q116-Y120 PolarHBondContact O-N 2.85Å; I117-Y120 PolarHBondContact O-N 3.32Å
121S87.3Confident91.9Very high23 Ų2355 Ų5516%0.16127%0.273CS..SBendtrans-90.5-177.5177.575.40000112.1I117 A125I117-S121 WeakPolarHBondContact CG2-OG 3.16Å; I117-S121 WeakPolarHBondContact O-CB 3.21Å; I117-S121 PolarHBondContact O-N 3.22Å; I117-S121 PolarHBondContact O-OG 2.88Å; S121-A125 WeakPolarHBondContact OG-CB 3.41Å
122W79.9Confident92Very high160 Ų16050.3 Ų50.361%0.60625%0.252SS*.  trans-81.5146.8175-154.718.1000109.7N124 A125W122-N124 PolarHBondContact O-N 2.89Å; W122-A125 VanDerWaalsContact O-CB 3.28Å; W122-A125 WeakPolarHBondContact O-CB 3.11Å; W122-A125 PolarHBondContact O-N 2.82Å
123D80.8Confident92.3Very high157 Ų15748.4 Ų48.484%0.8424%0.239SC*.THydrogen-bonded Turntrans-53.4-26.8-174.8-65.9-21.6000113.9
124N83Confident92.6Very high74 Ų7449.6 Ų49.640%0.39625%0.247SC..THydrogen-bonded Turntrans-99.214.4-179.6-68.9-34.5000114.2W122 Q126 K183W122-N124 PolarHBondContact O-N 2.89Å; N124-Q126 PolarHBondContact O-N 2.76Å; N124-Q126 PolarHBondContact O-NE2 2.77Å; N124-K183 HydrophobicContact CB-CG 4.21Å; N124-K183 WeakPolarHBondContact OD1-CE 3.48Å
125A93.2Very high92.8Very high19 Ų1951.8 Ų51.816%0.15726%0.259CS..  trans-65.9131.3176.700000111.4F95 S121 W122F95-A125 HydrophobicContact CD2-CB 4.06Å; F95-A125 HydrophobicContact CE2-CB 3.72Å; S121-A125 WeakPolarHBondContact OG-CB 3.41Å; W122-A125 VanDerWaalsContact O-CB 3.28Å; W122-A125 WeakPolarHBondContact O-CB 3.11Å; W122-A125 PolarHBondContact O-N 2.82Å
126Q96.2Very high93.1Very high40 Ų4050.1 Ų50.119%0.18725%0.246CC..EExtended strand (participates in β ladder)trans-95.5142.9-179.4-56.5-53.8-51.700110.4M93 G94 F95 N124 L176 I179 I180 K183M93-Q126 PolarHBondContact O-N 3.36Å; G94-Q126 CarbonylContact C-O 3.51Å; G94-Q126 VanDerWaalsContact CA-O 3.26Å; G94-Q126 WeakPolarHBondContact CA-O 3.48Å; F95-Q126 PolarHBondContact N-O 2.69Å; N124-Q126 PolarHBondContact O-N 2.76Å; N124-Q126 PolarHBondContact O-NE2 2.77Å; Q126-L176 HydrophobicContact CB-CD1 4.01Å; Q126-I179 HydrophobicContact CB-CG2 4Å; Q126-I179 HydrophobicContact CG-CB 4.49Å; Q126-I179 HydrophobicContact CG-CG2 3.72Å; Q126-I180 HydrophobicContact CB-CG1 4.1Å; Q126-I180 HydrophobicContact CG-CG1 4.02Å; Q126-K183 HydrophobicContact CG-CB 4.48Å
127V97Very high93.5Very high20 Ų2053.8 Ų53.812%0.12126%0.263CS..EExtended strand (participates in β ladder)trans-131.3129.4-177-170.80000109.9F95 L97 I117 L156F95-V127 HydrophobicContact CB-CB 4.43Å; F95-V127 HydrophobicContact CB-CG1 4.13Å; F95-V127 HydrophobicContact CB-CG2 4.13Å; F95-V127 HydrophobicContact CD2-CG2 4.37Å; F95-V127 WeakPolarHBondContact O-CA 3.28Å; L97-V127 HydrophobicContact CB-CG1 4Å; I117-V127 HydrophobicContact CD1-CG1 4.01Å; I117-V127 HydrophobicContact CD1-CG2 4.07Å; I117-V127 HydrophobicContact CG2-CG2 3.92Å; V127-L156 HydrophobicContact CB-CD2 3.81Å; V127-L156 HydrophobicContact CG1-CD1 4.1Å; V127-L156 HydrophobicContact CG1-CD2 4.3Å
128V98.5Very high93.8Very high0 Ų061.8 Ų61.80%031%0.306CS..EExtended strand (participates in β ladder)trans-110.8127.1169.1177.30000108.4F95 L97 V130 E157 F159 V172 L176 I179F95-V128 PolarHBondContact O-N 3.33Å; L97-V128 PolarHBondContact N-O 3.35Å; V128-V130 HydrophobicContact CG1-CG2 4.14Å; V128-E157 HydrophobicContact CG2-CB 4.23Å; V128-F159 HydrophobicContact CG1-CD2 3.63Å; V128-F159 HydrophobicContact CG1-CE2 3.99Å; V128-V172 HydrophobicContact CG1-CG1 4.22Å; V128-L176 HydrophobicContact CG2-CB 4.05Å; V128-L176 HydrophobicContact CG2-CD1 4.05Å; V128-I179 HydrophobicContact CG2-CD1 4.15Å
129L98.7Very high94.1Very high0 Ų060.9 Ų60.90%030%0.304CS..EExtended strand (participates in β ladder)trans-86131.4173.2-17764.2000109.9L97 Y99 V110 A151 L156 E157 F158 F159L97-L129 HydrophobicContact CB-CD1 4.4Å; L97-L129 HydrophobicContact CD2-CD1 4.32Å; L97-L129 HydrophobicContact CG-CD1 3.95Å; L97-L129 CarbonylContact O-C 3.49Å; L97-L129 WeakPolarHBondContact O-CA 3.29Å; L97-L129 WeakPolarHBondContact O-CD1 3.48Å; Y99-L129 HydrophobicContact CD1-CD1 4.01Å; Y99-L129 HydrophobicContact CD1-CG 4.43Å; Y99-L129 HydrophobicContact CE1-CD1 4.34Å; Y99-L129 HydrophobicContact CE1-CD2 4.43Å; Y99-L129 HydrophobicContact CE1-CG 4.27Å; V110-L129 HydrophobicContact CG1-CD1 3.63Å; V110-L129 HydrophobicContact CG1-CD2 4.35Å; V110-L129 HydrophobicContact CG2-CD1 4.02Å; L129-A151 HydrophobicContact CB-CB 4.49Å; L129-A151 HydrophobicContact CD2-CB 3.89Å; L129-L156 HydrophobicContact CB-CB 4.44Å; L129-L156 HydrophobicContact CB-CD1 4.32Å; L129-E157 PolarHBondContact N-O 3.24Å; L129-F158 HydrophobicContact CB-CD2 4.18Å; L129-F158 HydrophobicContact CD2-CD2 3.99Å; L129-F158 HydrophobicContact CD2-CE2 4.38Å; L129-F158 HydrophobicContact CG-CD2 3.97Å; L129-F158 HydrophobicContact CG-CE2 4.38Å; L129-F158 WeakPolarHBondContact O-CA 3.25Å; L129-F159 PolarHBondContact O-N 3.41Å
130V98.9Very high94.5Very high0 Ų059.4 Ų59.40%029%0.288CS..EExtended strand (participates in β ladder)trans-127.3117.7-179.3-176.20000110.9F35 I96 L97 M98 Y99 V128 N132 F159 A161 V172F35-V130 HydrophobicContact CE2-CG1 4.47Å; I96-V130 HydrophobicContact CG2-CB 4.42Å; I96-V130 HydrophobicContact CG2-CG2 3.73Å; L97-V130 PolarHBondContact O-N 3.02Å; M98-V130 WeakPolarHBondContact CA-O 3.35Å; M98-V130 HydrophobicContact CE-CG1 4.34Å; Y99-V130 WeakPolarHBondContact CD1-O 3.43Å; Y99-V130 PolarHBondContact N-O 2.82Å; V128-V130 HydrophobicContact CG1-CG2 4.14Å; V130-N132 PolarHBondContact O-N 3.02Å; V130-F159 CarbonylContact C-O 3.41Å; V130-F159 VanDerWaalsContact CA-O 3.29Å; V130-F159 WeakPolarHBondContact CA-O 3.21Å; V130-A161 HydrophobicContact CG1-CB 3.79Å; V130-V172 HydrophobicContact CG2-CG1 3.72Å; V130-V172 HydrophobicContact CG2-CG2 3.92Å
131G98.8Very high95Very high0 Ų057.2 Ų57.20%029%0.287CS..EExtended strand (participates in β ladder)trans-8499.216300000109.7Y99 F159 E160 A161Y99-G131 VanDerWaalsContact CE1-CA 3.42Å; Y99-G131 VanDerWaalsContact CZ-CA 3.44Å; G131-F159 PolarHBondContact N-O 2.71Å; G131-E160 CarbonylContact O-C 3.58Å; G131-E160 WeakPolarHBondContact O-CA 3.15Å; G131-A161 PolarHBondContact O-N 3.02Å
132N98.8Very high95.5Very high3 Ų356.1 Ų56.12%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-85.1165.1-178.1-169.136.1000111.7V30 M98 Y99 I101 V130 A161 A163V30-N132 PolarHBondContact O-ND2 2.88Å; M98-N132 HydrophobicContact CE-CB 4.28Å; M98-N132 HydrophobicContact CG-CB 3.75Å; M98-N132 HydrophobicContact SD-CB 3.69Å; Y99-N132 PolarHBondContact O-N 2.85Å; I101-N132 WeakPolarHBondContact CG1-O 3.39Å; I101-N132 PolarHBondContact N-O 3.06Å; I101-N132 VanDerWaalsContact N-O 3.08Å; V130-N132 PolarHBondContact O-N 3.02Å; N132-A161 CarbonylContact C-O 3.51Å; N132-A161 VanDerWaalsContact CA-O 3.28Å; N132-A161 WeakPolarHBondContact CA-O 3.46Å; N132-A161 PolarHBondContact OD1-O 3.11Å; N132-A163 PolarHBondContact OD1-N 3.06Å
133K98.4Very high96.4Very high47 Ų4750.7 Ų50.720%0.20427%0.266CS..  trans70.234.8-178.4-45.1-168.9-165.8166.70114.1S29 D100 I101 D135 M136 A161S29-K133 WeakPolarHBondContact O-CE 3.24Å; S29-K133 PolarHBondContact O-NZ 3.22Å; D100-K133 WeakPolarHBondContact OD1-CD 3.46Å; D100-K133 WeakPolarHBondContact OD2-CD 2.83Å; D100-K133 WeakPolarHBondContact OD2-CE 3.47Å; D100-K133 IonicContact OD2-NZ 2.73Å; D100-K133 PolarHBondContact OD2-NZ 2.89Å; I101-K133 WeakPolarHBondContact CD1-O 3.45Å; I101-K133 WeakPolarHBondContact CG1-O 3.46Å; K133-D135 WeakPolarHBondContact CA-OD1 3.15Å; K133-D135 PolarHBondContact O-N 3.47Å; K133-M136 HydrophobicContact CB-CG 4.3Å; K133-M136 HydrophobicContact CB-SD 4.08Å; K133-M136 HydrophobicContact CD-SD 3.85Å; K133-M136 WeakPolarHBondContact O-CB 3.36Å; K133-M136 PolarHBondContact O-N 2.84Å; K133-A161 PolarHBondContact N-O 3.02Å
134C98.5Very high97.3Very high26 Ų2647.6 Ų47.618%0.17625%0.246CC..THydrogen-bonded Turntrans-63.5-6.9174.8700000114.7I101 M136 E160 A161I101-C134 HydrophobicContact CD1-CB 4.45Å; C134-M136 VanDerWaalsContact C-N 3.27Å; C134-E160 HydrophobicContact CB-CB 4.07Å; C134-A161 PolarHBondContact N-O 3.44Å; C134-A161 PolarHBondContact SG-O 2.88Å; C134-A161 VanDerWaalsContact SG-O 3.35Å
135D98.3Very high98Very high49 Ų4950.2 Ų50.226%0.26226%0.256SS..THydrogen-bonded Turntrans-72.9-15.2167.759.7-77.6000113.9K133 E137 S162 K164 E165K133-D135 WeakPolarHBondContact CA-OD1 3.15Å; K133-D135 PolarHBondContact O-N 3.47Å; D135-E137 PolarHBondContact O-N 2.9Å; D135-S162 VanDerWaalsContact CG-OG 3.27Å; D135-S162 VanDerWaalsContact OD1-CB 3.28Å; D135-S162 WeakPolarHBondContact OD1-CB 3.38Å; D135-S162 PolarHBondContact OD1-OG 2.91Å; D135-K164 WeakPolarHBondContact OD2-CD 3.23Å; D135-K164 IonicContact OD2-NZ 3.63Å; D135-E165 HydrophobicContact CB-CG 3.62Å
136M97.7Very high98.2Very high49 Ų4953.4 Ų53.424%0.24126%0.263CS..  trans-9850.4-177.8-59.7-177.166.600112.1T102 K133 C134 D138 E139 R140T102-M136 HydrophobicContact CG2-CB 3.68Å; T102-M136 HydrophobicContact CG2-CE 4.29Å; T102-M136 HydrophobicContact CG2-SD 4.28Å; K133-M136 HydrophobicContact CB-CG 4.3Å; K133-M136 HydrophobicContact CB-SD 4.08Å; K133-M136 HydrophobicContact CD-SD 3.85Å; K133-M136 WeakPolarHBondContact O-CB 3.36Å; K133-M136 PolarHBondContact O-N 2.84Å; C134-M136 VanDerWaalsContact C-N 3.27Å; M136-D138 VanDerWaalsContact C-N 3.29Å; M136-D138 PolarHBondContact O-N 3.22Å; M136-E139 HydrophobicContact CB-CB 4.47Å; M136-E139 HydrophobicContact CE-CB 4.38Å; M136-E139 HydrophobicContact CE-CG 4.35Å; M136-E139 WeakPolarHBondContact CE-OE1 3.19Å; M136-E139 WeakPolarHBondContact CE-OE2 3.21Å; M136-E139 PolarHBondContact O-N 2.94Å; M136-R140 PolarHBondContact O-N 2.83Å
137E97.5Very high98.4Very high109 Ų10951.5 Ų51.551%0.50925%0.254SS..G310 helixtrans-60-36.4-174.2-16860-147.800113D135 E139 R140D135-E137 PolarHBondContact O-N 2.9Å; E137-E139 PolarHBondContact O-N 2.86Å; E137-R140 VanDerWaalsContact O-CB 3.27Å; E137-R140 WeakPolarHBondContact O-CB 3.5Å; E137-R140 PolarHBondContact O-N 2.86Å; E137-R140 WeakPolarHBondContact OE1-CD 3.41Å; E137-R140 IonicContact OE1-CZ 3.78Å; E137-R140 IonicContact OE1-NE 3.16Å; E137-R140 PolarHBondContact OE1-NE 2.87Å; E137-R140 IonicContact OE2-CZ 3.71Å; E137-R140 VanDerWaalsContact OE2-CZ 3.26Å; E137-R140 IonicContact OE2-NE 2.65Å; E137-R140 PolarHBondContact OE2-NE 3.14Å; E137-R140 IonicContact OE2-NH2 2.71Å; E137-R140 PolarHBondContact OE2-NH2 3.41Å
138D98Very high98.4Very high172 Ų17253.9 Ų53.992%0.9226%0.263SS*.G310 helixtrans-65.7-21.1178-64.7-35.9000113.3M136M136-D138 VanDerWaalsContact C-N 3.29Å; M136-D138 PolarHBondContact O-N 3.22Å
139E98.2Very high98.5Very high120 Ų12059.4 Ų59.456%0.56129%0.289SS*.G310 helixtrans-106.46.2179.6-65.4179-12500112.4T102 M136 E137 V141T102-E139 WeakPolarHBondContact CA-O 3.43Å; T102-E139 WeakPolarHBondContact CB-O 3.43Å; T102-E139 HydrophobicContact CG2-CB 3.78Å; M136-E139 HydrophobicContact CB-CB 4.47Å; M136-E139 HydrophobicContact CE-CB 4.38Å; M136-E139 HydrophobicContact CE-CG 4.35Å; M136-E139 WeakPolarHBondContact CE-OE1 3.19Å; M136-E139 WeakPolarHBondContact CE-OE2 3.21Å; M136-E139 PolarHBondContact O-N 2.94Å; E137-E139 PolarHBondContact O-N 2.86Å; E139-V141 PolarHBondContact O-N 3.03Å
140R98.6Very high98.4Very high55 Ų5559.9 Ų59.921%0.20829%0.292CS..  trans-61.6128.3-177.5178.9-176.9-70.8-84.96.9111.2I101 M136 E137 V142 E160I101-R140 HydrophobicContact CD1-CB 4.28Å; I101-R140 HydrophobicContact CD1-CG 4.25Å; M136-R140 PolarHBondContact O-N 2.83Å; E137-R140 VanDerWaalsContact O-CB 3.27Å; E137-R140 WeakPolarHBondContact O-CB 3.5Å; E137-R140 PolarHBondContact O-N 2.86Å; E137-R140 WeakPolarHBondContact OE1-CD 3.41Å; E137-R140 IonicContact OE1-CZ 3.78Å; E137-R140 IonicContact OE1-NE 3.16Å; E137-R140 PolarHBondContact OE1-NE 2.87Å; E137-R140 IonicContact OE2-CZ 3.71Å; E137-R140 VanDerWaalsContact OE2-CZ 3.26Å; E137-R140 IonicContact OE2-NE 2.65Å; E137-R140 PolarHBondContact OE2-NE 3.14Å; E137-R140 IonicContact OE2-NH2 2.71Å; E137-R140 PolarHBondContact OE2-NH2 3.41Å; R140-V142 WeakPolarHBondContact CD-O 3.16Å; R140-V142 WeakPolarHBondContact CG-O 3.39Å; R140-V142 PolarHBondContact NH1-O 3.43Å; R140-E160 IonicContact CZ-OE1 2.67Å; R140-E160 IonicContact CZ-OE2 2.86Å; R140-E160 IonicContact NH1-OE1 2.8Å; R140-E160 PolarHBondContact NH1-OE1 2.93Å; R140-E160 IonicContact NH1-OE2 2.92Å; R140-E160 PolarHBondContact NH1-OE2 3.1Å; R140-E160 IonicContact NH2-OE1 2.77Å; R140-E160 IonicContact NH2-OE2 3.9Å; R140-E160 PolarHBondContact NH2-OE2 3.36Å
141V98.6Very high98.4Very high78 Ų7859.9 Ų59.947%0.47329%0.292SS..  trans-117.6-19.1171.6-540000112.7I101 T102 E104 E139I101-V141 PolarHBondContact O-N 2.63Å; T102-V141 VanDerWaalsContact C-CG2 3.43Å; T102-V141 WeakPolarHBondContact O-CG2 3.26Å; E104-V141 HydrophobicContact CB-CG2 4.1Å; E139-V141 PolarHBondContact O-N 3.03Å
142V98.6Very high98.4Very high0 Ų064.3 Ų64.30%032%0.315CS..SBendtrans-109.2116.6174.3-1740000109.1Y99 I101 F107 R140 R146Y99-V142 HydrophobicContact CE2-CB 4.05Å; Y99-V142 HydrophobicContact CE2-CG1 3.8Å; Y99-V142 HydrophobicContact CE2-CG2 4.35Å; I101-V142 PolarHBondContact O-N 3.33Å; F107-V142 HydrophobicContact CB-CG1 4.45Å; F107-V142 HydrophobicContact CB-CG2 3.77Å; F107-V142 HydrophobicContact CD1-CG1 4.3Å; F107-V142 HydrophobicContact CD1-CG2 4.47Å; F107-V142 HydrophobicContact CD2-CG1 3.71Å; F107-V142 HydrophobicContact CE2-CG1 3.98Å; F107-V142 HydrophobicContact CG-CG1 3.88Å; F107-V142 HydrophobicContact CG-CG2 4.01Å; F107-V142 HydrophobicContact CZ-CG1 4.38Å; R140-V142 WeakPolarHBondContact CD-O 3.16Å; R140-V142 WeakPolarHBondContact CG-O 3.39Å; R140-V142 PolarHBondContact NH1-O 3.43Å; V142-R146 HydrophobicContact CG1-CB 4.38Å
143S98.5Very high98.3Very high46 Ų4670.4 Ų70.432%0.32234%0.344SS..  trans-71.3155.5176.791.10000111.8E145 R146 G147S143-E145 VanDerWaalsContact CB-OE2 3.26Å; S143-E145 WeakPolarHBondContact CB-OE2 3.27Å; S143-E145 PolarHBondContact O-N 3.3Å; S143-E145 PolarHBondContact OG-N 2.81Å; S143-E145 PolarHBondContact OG-OE2 3.34Å; S143-R146 PolarHBondContact O-N 3.27Å; S143-R146 PolarHBondContact OG-N 3.05Å; S143-G147 PolarHBondContact O-N 3.42Å; S143-G147 VanDerWaalsContact O-N 3.1Å
144F98.6Very high98.2Very high93 Ų9369.9 Ų69.941%0.40834%0.343SS..Hα-helixtrans-56.3-42.2175179.4-87.3000111.4R146 G147 K148 F158 E160F144-R146 VanDerWaalsContact C-N 3.32Å; F144-R146 PolarHBondContact O-N 3.16Å; F144-G147 PolarHBondContact O-N 2.91Å; F144-K148 HydrophobicContact CE1-CB 4.21Å; F144-K148 WeakPolarHBondContact O-CB 3.47Å; F144-K148 PolarHBondContact O-N 3.22Å; F144-F158 AromaticContact CD2-CE1 3.81Å; F144-F158 HydrophobicContact CD2-CE1 3.81Å; F144-F158 HydrophobicContact CE1-CE1 4.44Å; F144-F158 HydrophobicContact CE2-CD1 4.13Å; F144-F158 AromaticContact CE2-CE1 3.61Å; F144-F158 HydrophobicContact CE2-CE1 3.61Å; F144-F158 HydrophobicContact CG-CE1 4.3Å; F144-F158 HydrophobicContact CZ-CD1 4.11Å; F144-F158 AromaticContact CZ-CE1 3.95Å; F144-F158 HydrophobicContact CZ-CE1 3.95Å; F144-E160 WeakPolarHBondContact CA-OE1 3.45Å; F144-E160 HydrophobicContact CD2-CB 4.41Å; F144-E160 HydrophobicContact CD2-CG 3.75Å; F144-E160 HydrophobicContact CE2-CG 4.22Å
145E98.6Very high98.1Very high129 Ų12971.9 Ų71.960%0.60337%0.368SS*.Hα-helixtrans-62.6-40.1-179.6-58.970.9-15300111.4S143 K148 Q149S143-E145 VanDerWaalsContact CB-OE2 3.26Å; S143-E145 WeakPolarHBondContact CB-OE2 3.27Å; S143-E145 PolarHBondContact O-N 3.3Å; S143-E145 PolarHBondContact OG-N 2.81Å; S143-E145 PolarHBondContact OG-OE2 3.34Å; E145-K148 PolarHBondContact O-N 2.89Å; E145-Q149 WeakPolarHBondContact O-CB 3.32Å; E145-Q149 PolarHBondContact O-N 2.9Å
146R98.2Very high98Very high85 Ų8570.5 Ų70.532%0.32136%0.361SS..Hα-helixtrans-67.5-40.9177.7-167.8178.2175.6-157.4-8.4111.3E104 F107 N108 V142 S143 F144 L150E104-R146 IonicContact OE1-CZ 3.04Å; E104-R146 IonicContact OE1-NH1 2.68Å; E104-R146 PolarHBondContact OE1-NH1 3.08Å; E104-R146 IonicContact OE1-NH2 3.01Å; E104-R146 PolarHBondContact OE1-NH2 3.27Å; E104-R146 IonicContact OE2-CZ 3.59Å; E104-R146 IonicContact OE2-NH1 2.75Å; E104-R146 PolarHBondContact OE2-NH1 3.2Å; F107-R146 HydrophobicContact CE1-CG 3.85Å; F107-R146 VanDerWaalsContact CE1-NE 3.34Å; F107-R146 HydrophobicContact CZ-CG 3.75Å; N108-R146 PolarHBondContact OD1-NH2 3.41Å; V142-R146 HydrophobicContact CG1-CB 4.38Å; S143-R146 PolarHBondContact O-N 3.27Å; S143-R146 PolarHBondContact OG-N 3.05Å; F144-R146 VanDerWaalsContact C-N 3.32Å; F144-R146 PolarHBondContact O-N 3.16Å; R146-L150 PolarHBondContact O-N 3.02Å; R146-L150 VanDerWaalsContact O-N 3.09Å
147G98.7Very high98Very high0 Ų071.4 Ų71.40%036%0.364CS..Hα-helixtrans-58.5-51.5171.900000112.4S143 F144 L150 A151S143-G147 PolarHBondContact O-N 3.42Å; S143-G147 VanDerWaalsContact O-N 3.1Å; F144-G147 PolarHBondContact O-N 2.91Å; G147-L150 PolarHBondContact O-N 3.34Å; G147-A151 PolarHBondContact O-N 3.41Å
148K98.7Very high98.1Very high71 Ų7167.1 Ų67.131%0.30934%0.344SS..Hα-helixtrans-63.4-44179.3-177.253.6177.3156.20112.3F144 E145 L150 A151 D152 F158F144-K148 HydrophobicContact CE1-CB 4.21Å; F144-K148 WeakPolarHBondContact O-CB 3.47Å; F144-K148 PolarHBondContact O-N 3.22Å; E145-K148 PolarHBondContact O-N 2.89Å; K148-L150 VanDerWaalsContact C-N 3.34Å; K148-L150 PolarHBondContact O-N 3.24Å; K148-A151 WeakPolarHBondContact O-CB 3.48Å; K148-A151 PolarHBondContact O-N 2.84Å; K148-D152 WeakPolarHBondContact CE-OD1 3.35Å; K148-D152 IonicContact NZ-OD1 3.3Å; K148-D152 PolarHBondContact NZ-OD1 3.42Å; K148-D152 IonicContact NZ-OD2 3.14Å; K148-D152 VanDerWaalsContact O-CG 3.27Å; K148-D152 PolarHBondContact O-N 2.8Å; K148-F158 HydrophobicContact CB-CD1 3.75Å; K148-F158 HydrophobicContact CB-CE1 4.01Å; K148-F158 HydrophobicContact CD-CB 4.01Å; K148-F158 HydrophobicContact CD-CD1 3.93Å; K148-F158 HydrophobicContact CD-CG 4.36Å; K148-F158 HydrophobicContact CG-CD1 4.4Å
149Q98.6Very high98.1Very high115 Ų11560.9 Ų60.954%0.53731%0.309SS..Hα-helixtrans-59.7-44.1177.6-176.1-17820.400111.6E145 D152 Q153E145-Q149 WeakPolarHBondContact O-CB 3.32Å; E145-Q149 PolarHBondContact O-N 2.9Å; Q149-D152 PolarHBondContact O-N 3.18Å; Q149-Q153 VanDerWaalsContact O-CG 3.26Å; Q149-Q153 WeakPolarHBondContact O-CG 3.42Å; Q149-Q153 PolarHBondContact O-N 3.45Å
150L98.3Very high98.1Very high11 Ų1156 Ų566%0.05829%0.286CS..Hα-helixtrans-64.8-41.7176.117962.3000111.5F107 V110 Q111 R146 G147 K148 Q153 L154F107-L150 HydrophobicContact CD2-CD2 4.23Å; F107-L150 HydrophobicContact CE1-CD2 4.22Å; F107-L150 HydrophobicContact CE2-CB 4.11Å; F107-L150 HydrophobicContact CE2-CD2 3.48Å; F107-L150 VanDerWaalsContact CE2-CD2 3.48Å; F107-L150 HydrophobicContact CE2-CG 4.44Å; F107-L150 HydrophobicContact CZ-CB 3.83Å; F107-L150 HydrophobicContact CZ-CD2 3.49Å; F107-L150 VanDerWaalsContact CZ-CD2 3.49Å; F107-L150 HydrophobicContact CZ-CG 4.28Å; V110-L150 HydrophobicContact CB-CD2 3.92Å; V110-L150 HydrophobicContact CG1-CD2 3.74Å; Q111-L150 HydrophobicContact CG-CD1 3.95Å; R146-L150 PolarHBondContact O-N 3.02Å; R146-L150 VanDerWaalsContact O-N 3.09Å; G147-L150 PolarHBondContact O-N 3.34Å; K148-L150 VanDerWaalsContact C-N 3.34Å; K148-L150 PolarHBondContact O-N 3.24Å; L150-Q153 PolarHBondContact O-N 3.3Å; L150-L154 HydrophobicContact CD1-CD1 3.9Å; L150-L154 HydrophobicContact CD1-CG 4.12Å; L150-L154 HydrophobicContact CG-CD1 3.95Å; L150-L154 HydrophobicContact CG-CG 4.5Å; L150-L154 WeakPolarHBondContact O-CB 3.5Å; L150-L154 WeakPolarHBondContact O-CG 3.5Å; L150-L154 PolarHBondContact O-N 2.86Å
151A98.5Very high98.2Very high0 Ų053.4 Ų53.40%028%0.276CS..Hα-helixtrans-59.6-46.9176.400000111.8L129 G147 K148 Q153 L154 G155 L156 F158L129-A151 HydrophobicContact CB-CB 4.49Å; L129-A151 HydrophobicContact CD2-CB 3.89Å; G147-A151 PolarHBondContact O-N 3.41Å; K148-A151 WeakPolarHBondContact O-CB 3.48Å; K148-A151 PolarHBondContact O-N 2.84Å; A151-Q153 VanDerWaalsContact C-N 3.35Å; A151-Q153 PolarHBondContact O-N 2.8Å; A151-L154 CarbonylContact O-C 3.56Å; A151-L154 PolarHBondContact O-N 2.92Å; A151-L154 VanDerWaalsContact O-N 3.11Å; A151-G155 PolarHBondContact O-N 3.46Å; A151-L156 HydrophobicContact CB-CB 4.4Å; A151-L156 PolarHBondContact O-N 3.18Å; A151-F158 HydrophobicContact CB-CB 3.59Å; A151-F158 HydrophobicContact CB-CD2 4.33Å; A151-F158 HydrophobicContact CB-CG 4.12Å
152D98.2Very high98.2Very high92 Ų9249.7 Ų49.749%0.49225%0.254SS..Hα-helixtrans-62.7-41.1179-67.1-19.4000111.4K148 Q149 L154 G155K148-D152 WeakPolarHBondContact CE-OD1 3.35Å; K148-D152 IonicContact NZ-OD1 3.3Å; K148-D152 PolarHBondContact NZ-OD1 3.42Å; K148-D152 IonicContact NZ-OD2 3.14Å; K148-D152 VanDerWaalsContact O-CG 3.27Å; K148-D152 PolarHBondContact O-N 2.8Å; Q149-D152 PolarHBondContact O-N 3.18Å; D152-L154 VanDerWaalsContact C-N 3.29Å; D152-L154 PolarHBondContact O-N 3.22Å; D152-G155 PolarHBondContact O-N 3.4Å
153Q97.6Very high98.1Very high131 Ų13149.9 Ų49.961%0.61226%0.255SS*.Hα-helixtrans-61.9-35.4174-74.7173.1-1.500113Q149 L150 A151Q149-Q153 VanDerWaalsContact O-CG 3.26Å; Q149-Q153 WeakPolarHBondContact O-CG 3.42Å; Q149-Q153 PolarHBondContact O-N 3.45Å; L150-Q153 PolarHBondContact O-N 3.3Å; A151-Q153 VanDerWaalsContact C-N 3.35Å; A151-Q153 PolarHBondContact O-N 2.8Å
154L96Very high98.1Very high36 Ų3652.3 Ų52.319%0.18826%0.26CS..Hα-helixtrans-87.2-7.5179.4-66.4176.2000113.2V110 C114 L150 A151 D152 L156V110-L154 HydrophobicContact CG1-CD1 4.05Å; C114-L154 HydrophobicContact CB-CD1 4.33Å; L150-L154 HydrophobicContact CD1-CD1 3.9Å; L150-L154 HydrophobicContact CD1-CG 4.12Å; L150-L154 HydrophobicContact CG-CD1 3.95Å; L150-L154 HydrophobicContact CG-CG 4.5Å; L150-L154 WeakPolarHBondContact O-CB 3.5Å; L150-L154 WeakPolarHBondContact O-CG 3.5Å; L150-L154 PolarHBondContact O-N 2.86Å; A151-L154 CarbonylContact O-C 3.56Å; A151-L154 PolarHBondContact O-N 2.92Å; A151-L154 VanDerWaalsContact O-N 3.11Å; D152-L154 VanDerWaalsContact C-N 3.29Å; D152-L154 PolarHBondContact O-N 3.22Å; L154-L156 HydrophobicContact CB-CD1 3.91Å; L154-L156 HydrophobicContact CB-CG 3.72Å; L154-L156 HydrophobicContact CD1-CD1 4.14Å
155G96.1Very high98.1Very high69 Ų6953.3 Ų53.371%0.71127%0.266SS*.THydrogen-bonded Turntrans7135.3-175.500000113.4A151 D152A151-G155 PolarHBondContact O-N 3.46Å; D152-G155 PolarHBondContact O-N 3.4Å
156L97.1Very high98Very high19 Ų1950.7 Ų50.710%0.09926%0.256CS..  trans-111.6148.2-174.7-52.9-175000111.9V127 L129 A151 L154V127-L156 HydrophobicContact CB-CD2 3.81Å; V127-L156 HydrophobicContact CG1-CD1 4.1Å; V127-L156 HydrophobicContact CG1-CD2 4.3Å; L129-L156 HydrophobicContact CB-CB 4.44Å; L129-L156 HydrophobicContact CB-CD1 4.32Å; A151-L156 HydrophobicContact CB-CB 4.4Å; A151-L156 PolarHBondContact O-N 3.18Å; L154-L156 HydrophobicContact CB-CD1 3.91Å; L154-L156 HydrophobicContact CB-CG 3.72Å; L154-L156 HydrophobicContact CD1-CD1 4.14Å
157E97.3Very high98.1Very high69 Ų6949.3 Ų49.332%0.32226%0.257SS..EExtended strand (participates in β ladder)trans-70.6144.2165.9-72.9-87.7-148.200110.1V128 L129 R175 I179V128-E157 HydrophobicContact CG2-CB 4.23Å; L129-E157 PolarHBondContact N-O 3.24Å; E157-R175 IonicContact OE1-CZ 3.44Å; E157-R175 VanDerWaalsContact OE1-CZ 3.3Å; E157-R175 IonicContact OE1-NE 2.75Å; E157-R175 PolarHBondContact OE1-NE 2.83Å; E157-R175 IonicContact OE1-NH2 3.35Å; E157-R175 PolarHBondContact OE1-NH2 3.24Å; E157-I179 HydrophobicContact CB-CD1 4.35Å; E157-I179 HydrophobicContact CG-CD1 3.79Å
158F98.7Very high98Very high18 Ų1854 Ų548%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-129.2134.1-172.3-179.6-118.4000112.7Y99 L129 F144 K148 A151 E160Y99-F158 HydrophobicContact CE1-CE2 4.01Å; L129-F158 HydrophobicContact CB-CD2 4.18Å; L129-F158 HydrophobicContact CD2-CD2 3.99Å; L129-F158 HydrophobicContact CD2-CE2 4.38Å; L129-F158 HydrophobicContact CG-CD2 3.97Å; L129-F158 HydrophobicContact CG-CE2 4.38Å; L129-F158 WeakPolarHBondContact O-CA 3.25Å; F144-F158 AromaticContact CD2-CE1 3.81Å; F144-F158 HydrophobicContact CD2-CE1 3.81Å; F144-F158 HydrophobicContact CE1-CE1 4.44Å; F144-F158 HydrophobicContact CE2-CD1 4.13Å; F144-F158 AromaticContact CE2-CE1 3.61Å; F144-F158 HydrophobicContact CE2-CE1 3.61Å; F144-F158 HydrophobicContact CG-CE1 4.3Å; F144-F158 HydrophobicContact CZ-CD1 4.11Å; F144-F158 AromaticContact CZ-CE1 3.95Å; F144-F158 HydrophobicContact CZ-CE1 3.95Å; K148-F158 HydrophobicContact CB-CD1 3.75Å; K148-F158 HydrophobicContact CB-CE1 4.01Å; K148-F158 HydrophobicContact CD-CB 4.01Å; K148-F158 HydrophobicContact CD-CD1 3.93Å; K148-F158 HydrophobicContact CD-CG 4.36Å; K148-F158 HydrophobicContact CG-CD1 4.4Å; A151-F158 HydrophobicContact CB-CB 3.59Å; A151-F158 HydrophobicContact CB-CD2 4.33Å; A151-F158 HydrophobicContact CB-CG 4.12Å; F158-E160 HydrophobicContact CE1-CG 4.21Å; F158-E160 HydrophobicContact CZ-CG 3.76Å
159F98.8Very high98Very high42 Ų4250.6 Ų50.618%0.18426%0.264CS..EExtended strand (participates in β ladder)trans-133.2146.1170.2-66.7-98.8000110V128 L129 V130 G131 H168 A171 V172 R175V128-F159 HydrophobicContact CG1-CD2 3.63Å; V128-F159 HydrophobicContact CG1-CE2 3.99Å; L129-F159 PolarHBondContact O-N 3.41Å; V130-F159 CarbonylContact C-O 3.41Å; V130-F159 VanDerWaalsContact CA-O 3.29Å; V130-F159 WeakPolarHBondContact CA-O 3.21Å; G131-F159 PolarHBondContact N-O 2.71Å; F159-H168 HydrophobicContact CD1-CB 4.33Å; F159-A171 HydrophobicContact CE1-CB 4.37Å; F159-V172 HydrophobicContact CB-CG2 3.68Å; F159-V172 HydrophobicContact CD1-CG2 4.14Å; F159-V172 HydrophobicContact CD2-CG2 3.94Å; F159-V172 HydrophobicContact CG-CG2 3.65Å; F159-R175 HydrophobicContact CE2-CB 4.17Å; F159-R175 HydrophobicContact CE2-CG 4.07Å; F159-R175 HydrophobicContact CZ-CB 3.93Å; F159-R175 HydrophobicContact CZ-CG 4.01Å
160E98.8Very high98Very high18 Ų1850.9 Ų50.98%0.08426%0.263CS..EExtended strand (participates in β ladder)trans-95.8143.1151.2-73.8-165.5171.500109.7G131 C134 R140 F144 F158 H168G131-E160 CarbonylContact O-C 3.58Å; G131-E160 WeakPolarHBondContact O-CA 3.15Å; C134-E160 HydrophobicContact CB-CB 4.07Å; R140-E160 IonicContact CZ-OE1 2.67Å; R140-E160 IonicContact CZ-OE2 2.86Å; R140-E160 IonicContact NH1-OE1 2.8Å; R140-E160 PolarHBondContact NH1-OE1 2.93Å; R140-E160 IonicContact NH1-OE2 2.92Å; R140-E160 PolarHBondContact NH1-OE2 3.1Å; R140-E160 IonicContact NH2-OE1 2.77Å; R140-E160 IonicContact NH2-OE2 3.9Å; R140-E160 PolarHBondContact NH2-OE2 3.36Å; F144-E160 WeakPolarHBondContact CA-OE1 3.45Å; F144-E160 HydrophobicContact CD2-CB 4.41Å; F144-E160 HydrophobicContact CD2-CG 3.75Å; F144-E160 HydrophobicContact CE2-CG 4.22Å; F158-E160 HydrophobicContact CE1-CG 4.21Å; F158-E160 HydrophobicContact CZ-CG 3.76Å; E160-H168 PolarHBondContact O-ND1 2.97Å
161A98.8Very high98Very high0 Ų052 Ų520%028%0.275CS..EExtended strand (participates in β ladder)trans-145161.2-174.600000112.2F35 V130 G131 N132 K133 C134 V167 H168F35-A161 HydrophobicContact CE2-CB 3.7Å; F35-A161 HydrophobicContact CZ-CB 4.4Å; V130-A161 HydrophobicContact CG1-CB 3.79Å; G131-A161 PolarHBondContact O-N 3.02Å; N132-A161 CarbonylContact C-O 3.51Å; N132-A161 VanDerWaalsContact CA-O 3.28Å; N132-A161 WeakPolarHBondContact CA-O 3.46Å; N132-A161 PolarHBondContact OD1-O 3.11Å; K133-A161 PolarHBondContact N-O 3.02Å; C134-A161 PolarHBondContact N-O 3.44Å; C134-A161 PolarHBondContact SG-O 2.88Å; C134-A161 VanDerWaalsContact SG-O 3.35Å; A161-V167 VanDerWaalsContact CA-O 3.31Å; A161-V167 WeakPolarHBondContact CA-O 3.39Å; A161-V167 VanDerWaalsContact CB-O 3.3Å; A161-V167 WeakPolarHBondContact CB-O 3.44Å; A161-H168 HydrophobicContact CB-CB 4.19Å
162S98.6Very high98Very high0 Ų052 Ų520%028%0.275CS..BIsolated β-bridgetrans-132.5114.9171.1175.10000109.4D135 K164 E165 N166 V167 V169D135-S162 VanDerWaalsContact CG-OG 3.27Å; D135-S162 VanDerWaalsContact OD1-CB 3.28Å; D135-S162 WeakPolarHBondContact OD1-CB 3.38Å; D135-S162 PolarHBondContact OD1-OG 2.91Å; S162-K164 PolarHBondContact O-N 3.36Å; S162-K164 PolarHBondContact OG-N 3.27Å; S162-E165 PolarHBondContact OG-N 2.93Å; S162-N166 CarbonylContact O-C 3.34Å; S162-N166 WeakPolarHBondContact O-CA 3.44Å; S162-N166 PolarHBondContact O-N 2.65Å; S162-V167 PolarHBondContact N-O 3.02Å; S162-V167 PolarHBondContact O-N 3.35Å; S162-V169 WeakPolarHBondContact O-CG2 3.2Å
163A98.1Very high98Very high3 Ų347.7 Ų47.73%0.02525%0.251CS..THydrogen-bonded Turntrans-63.3-31.5168.800000112.1F35 R38 F44 N132F35-A163 HydrophobicContact CB-CB 4.34Å; F35-A163 HydrophobicContact CD2-CB 4.3Å; R38-A163 PolarHBondContact NE-O 3.43Å; F44-A163 HydrophobicContact CD2-CB 4.2Å; F44-A163 HydrophobicContact CE2-CB 4.24Å; N132-A163 PolarHBondContact OD1-N 3.06Å
164K97.8Very high98Very high97 Ų9744.2 Ų44.242%0.42224%0.235SC..THydrogen-bonded Turntrans-68.7-58.5-178.8-177-168177.5-169.50110.9R38 F44 D135 S162 N166R38-K164 PolarHBondContact NH2-O 3.35Å; F44-K164 HydrophobicContact CD1-CB 4.35Å; F44-K164 HydrophobicContact CD1-CG 4.11Å; F44-K164 HydrophobicContact CD2-CB 4.26Å; F44-K164 HydrophobicContact CE1-CB 3.93Å; F44-K164 HydrophobicContact CE1-CG 3.68Å; F44-K164 HydrophobicContact CE2-CB 3.82Å; F44-K164 HydrophobicContact CE2-CG 4.5Å; F44-K164 HydrophobicContact CZ-CB 3.64Å; F44-K164 HydrophobicContact CZ-CG 3.9Å; D135-K164 WeakPolarHBondContact OD2-CD 3.23Å; D135-K164 IonicContact OD2-NZ 3.63Å; S162-K164 PolarHBondContact O-N 3.36Å; S162-K164 PolarHBondContact OG-N 3.27Å; K164-N166 VanDerWaalsContact C-N 3.29Å; K164-N166 PolarHBondContact O-N 2.94Å
165E97.9Very high98.1Very high115 Ų11545.7 Ų45.754%0.53724%0.238SC..THydrogen-bonded Turntrans-87.64.6-176.9-57.8-56.2146.900113.1D135 S162 V167D135-E165 HydrophobicContact CB-CG 3.62Å; S162-E165 PolarHBondContact OG-N 2.93Å; E165-V167 HydrophobicContact CB-CG2 4.01Å; E165-V167 PolarHBondContact O-N 3.08Å
166N98Very high98.2Very high74 Ų7442.4 Ų42.440%0.39620%0.204SC..THydrogen-bonded Turntrans56.933.1-178.6-162.419.6000114.1R38 S162 K164R38-N166 WeakPolarHBondContact CD-OD1 3.32Å; R38-N166 HydrophobicContact CG-CB 4.28Å; R38-N166 WeakPolarHBondContact CG-OD1 3.44Å; S162-N166 CarbonylContact O-C 3.34Å; S162-N166 WeakPolarHBondContact O-CA 3.44Å; S162-N166 PolarHBondContact O-N 2.65Å; K164-N166 VanDerWaalsContact C-N 3.29Å; K164-N166 PolarHBondContact O-N 2.94Å
167V98.7Very high98.2Very high55 Ų5541.6 Ų41.633%0.33320%0.2SC..BIsolated β-bridgetrans-80.6124.5177.8178.50000109.3A161 S162 E165 V169A161-V167 VanDerWaalsContact CA-O 3.31Å; A161-V167 WeakPolarHBondContact CA-O 3.39Å; A161-V167 VanDerWaalsContact CB-O 3.3Å; A161-V167 WeakPolarHBondContact CB-O 3.44Å; S162-V167 PolarHBondContact N-O 3.02Å; S162-V167 PolarHBondContact O-N 3.35Å; E165-V167 HydrophobicContact CB-CG2 4.01Å; E165-V167 PolarHBondContact O-N 3.08Å; V167-V169 PolarHBondContact O-N 2.92Å
168H98.5Very high98.1Very high98 Ų9840.9 Ų40.945%0.45420%0.198SC..SBendtrans56.15.9177.3-59.5147.4000117.3F159 E160 A161 K170 A171 V172F159-H168 HydrophobicContact CD1-CB 4.33Å; E160-H168 PolarHBondContact O-ND1 2.97Å; A161-H168 HydrophobicContact CB-CB 4.19Å; H168-K170 PolarHBondContact O-N 3.38Å; H168-A171 HydrophobicContact CB-CB 4.37Å; H168-A171 PolarHBondContact O-N 3.43Å; H168-A171 VanDerWaalsContact O-N 3.16Å; H168-V172 WeakPolarHBondContact O-CG2 3.39Å; H168-V172 PolarHBondContact O-N 3.48Å
169V98.6Very high98Very high1 Ų140.8 Ų40.81%0.00620%0.199CC..Hα-helixtrans-57-55-178.3179.80000111.2F35 R38 S162 V167 A171 V172 F173F35-V169 HydrophobicContact CD1-CG1 4.34Å; F35-V169 HydrophobicContact CD2-CG1 4.29Å; F35-V169 HydrophobicContact CD2-CG2 3.98Å; F35-V169 HydrophobicContact CE1-CG1 4.14Å; F35-V169 HydrophobicContact CE2-CB 4.08Å; F35-V169 HydrophobicContact CE2-CG1 4.09Å; F35-V169 HydrophobicContact CE2-CG2 3.68Å; F35-V169 HydrophobicContact CG-CG1 4.41Å; F35-V169 HydrophobicContact CZ-CB 4.2Å; F35-V169 HydrophobicContact CZ-CG1 4.01Å; F35-V169 HydrophobicContact CZ-CG2 4.3Å; R38-V169 HydrophobicContact CB-CG1 4.23Å; R38-V169 HydrophobicContact CG-CB 4.16Å; R38-V169 HydrophobicContact CG-CG1 3.94Å; R38-V169 HydrophobicContact CG-CG2 3.85Å; S162-V169 WeakPolarHBondContact O-CG2 3.2Å; V167-V169 PolarHBondContact O-N 2.92Å; V169-A171 VanDerWaalsContact C-N 3.34Å; V169-A171 PolarHBondContact O-N 3.34Å; V169-V172 PolarHBondContact O-N 3.41Å; V169-F173 WeakPolarHBondContact O-CD2 3.31Å
170K97.8Very high97.8Very high120 Ų12039 Ų3952%0.52219%0.191SC..Hα-helixtrans-62-40.9176.3-179.8172.9177.3-81.60112.1H168 V172 F173 E174H168-K170 PolarHBondContact O-N 3.38Å; K170-V172 PolarHBondContact O-N 2.99Å; K170-F173 PolarHBondContact O-N 2.97Å; K170-E174 WeakPolarHBondContact CE-OE1 3.38Å; K170-E174 HydrophobicContact CG-CG 4.09Å; K170-E174 IonicContact NZ-OE1 2.69Å; K170-E174 PolarHBondContact NZ-OE1 2.92Å; K170-E174 IonicContact NZ-OE2 3.89Å; K170-E174 PolarHBondContact NZ-OE2 2.79Å; K170-E174 WeakPolarHBondContact O-CB 3.35Å; K170-E174 VanDerWaalsContact O-CG 3.32Å; K170-E174 WeakPolarHBondContact O-CG 3.35Å; K170-E174 PolarHBondContact O-N 3.21Å
171A98.3Very high97.5Very high36 Ų3639.9 Ų39.930%0.29820%0.199SC..Hα-helixtrans-61.8-41-177.500000112.5F159 H168 V169 E174 R175F159-A171 HydrophobicContact CE1-CB 4.37Å; H168-A171 HydrophobicContact CB-CB 4.37Å; H168-A171 PolarHBondContact O-N 3.43Å; H168-A171 VanDerWaalsContact O-N 3.16Å; V169-A171 VanDerWaalsContact C-N 3.34Å; V169-A171 PolarHBondContact O-N 3.34Å; A171-E174 PolarHBondContact O-N 3.03Å; A171-R175 WeakPolarHBondContact O-CB 3.26Å; A171-R175 PolarHBondContact O-N 2.89Å
172V98.7Very high97.2Very high0 Ų044.4 Ų44.40%022%0.22CC..Hα-helixtrans-59.4-51.1175.9166.80000111.2F35 I96 V128 V130 F159 H168 V169 K170 E174 R175 L176F35-V172 HydrophobicContact CE1-CB 4.39Å; F35-V172 HydrophobicContact CE1-CG1 4.17Å; F35-V172 HydrophobicContact CZ-CB 3.96Å; F35-V172 HydrophobicContact CZ-CG1 4.1Å; F35-V172 HydrophobicContact CZ-CG2 4.11Å; I96-V172 HydrophobicContact CD1-CG1 3.89Å; I96-V172 HydrophobicContact CG1-CG1 4.15Å; I96-V172 HydrophobicContact CG2-CG1 4.22Å; V128-V172 HydrophobicContact CG1-CG1 4.22Å; V130-V172 HydrophobicContact CG2-CG1 3.72Å; V130-V172 HydrophobicContact CG2-CG2 3.92Å; F159-V172 HydrophobicContact CB-CG2 3.68Å; F159-V172 HydrophobicContact CD1-CG2 4.14Å; F159-V172 HydrophobicContact CD2-CG2 3.94Å; F159-V172 HydrophobicContact CG-CG2 3.65Å; H168-V172 WeakPolarHBondContact O-CG2 3.39Å; H168-V172 PolarHBondContact O-N 3.48Å; V169-V172 PolarHBondContact O-N 3.41Å; K170-V172 PolarHBondContact O-N 2.99Å; V172-E174 VanDerWaalsContact C-N 3.32Å; V172-E174 PolarHBondContact O-N 3.3Å; V172-R175 PolarHBondContact O-N 3.05Å; V172-L176 WeakPolarHBondContact O-CB 3.22Å; V172-L176 PolarHBondContact O-N 3.13Å
173F98.2Very high96.8Very high0 Ų047.6 Ų47.60%023%0.234CC..Hα-helixtrans-63.3-41.1178.4-79.5-82.2000111.4I24 F35 Y39 I72 I96 V169 K170 L176 V177I24-F173 HydrophobicContact CD1-CZ 3.98Å; F35-F173 AromaticContact CD1-CE2 3.63Å; F35-F173 HydrophobicContact CD1-CE2 3.63Å; F35-F173 HydrophobicContact CD1-CZ 4.17Å; F35-F173 AromaticContact CE1-CD2 3.96Å; F35-F173 HydrophobicContact CE1-CD2 3.96Å; F35-F173 AromaticContact CE1-CE2 3.39Å; F35-F173 HydrophobicContact CE1-CE2 3.39Å; F35-F173 HydrophobicContact CE1-CZ 4.19Å; Y39-F173 VanDerWaalsContact CB-CE2 3.46Å; Y39-F173 AromaticContact CD1-CD1 3.9Å; Y39-F173 HydrophobicContact CD1-CD1 3.9Å; Y39-F173 AromaticContact CD1-CD2 3.61Å; Y39-F173 HydrophobicContact CD1-CD2 3.61Å; Y39-F173 AromaticContact CD1-CE1 3.91Å; Y39-F173 HydrophobicContact CD1-CE1 3.91Å; Y39-F173 AromaticContact CD1-CE2 3.62Å; Y39-F173 HydrophobicContact CD1-CE2 3.62Å; Y39-F173 AromaticContact CD1-CG 3.76Å; Y39-F173 HydrophobicContact CD1-CG 3.76Å; Y39-F173 AromaticContact CD1-CZ 3.76Å; Y39-F173 HydrophobicContact CD1-CZ 3.76Å; Y39-F173 HydrophobicContact CD2-CB 4.14Å; Y39-F173 AromaticContact CD2-CD2 3.46Å; Y39-F173 HydrophobicContact CD2-CD2 3.46Å; Y39-F173 VanDerWaalsContact CD2-CD2 3.46Å; Y39-F173 HydrophobicContact CD2-CE2 4.03Å; Y39-F173 AromaticContact CD2-CG 3.92Å; Y39-F173 HydrophobicContact CD2-CG 3.92Å; Y39-F173 HydrophobicContact CE1-CB 4.04Å; Y39-F173 AromaticContact CE1-CD1 3.69Å; Y39-F173 HydrophobicContact CE1-CD1 3.69Å; Y39-F173 AromaticContact CE1-CD2 3.97Å; Y39-F173 HydrophobicContact CE1-CD2 3.97Å; Y39-F173 HydrophobicContact CE1-CE1 4.09Å; Y39-F173 HydrophobicContact CE1-CE2 4.34Å; Y39-F173 AromaticContact CE1-CG 3.63Å; Y39-F173 HydrophobicContact CE1-CG 3.63Å; Y39-F173 HydrophobicContact CE1-CZ 4.39Å; Y39-F173 HydrophobicContact CE2-CB 3.61Å; Y39-F173 AromaticContact CE2-CD2 3.84Å; Y39-F173 HydrophobicContact CE2-CD2 3.84Å; Y39-F173 AromaticContact CE2-CG 3.81Å; Y39-F173 HydrophobicContact CE2-CG 3.81Å; Y39-F173 HydrophobicContact CG-CD1 4.46Å; Y39-F173 AromaticContact CG-CD2 3.33Å; Y39-F173 HydrophobicContact CG-CD2 3.33Å; Y39-F173 AromaticContact CG-CE2 3.42Å; Y39-F173 HydrophobicContact CG-CE2 3.42Å; Y39-F173 VanDerWaalsContact CG-CE2 3.42Å; Y39-F173 AromaticContact CG-CG 3.89Å; Y39-F173 HydrophobicContact CG-CG 3.89Å; Y39-F173 HydrophobicContact CG-CZ 4.05Å; Y39-F173 AromaticContact CZ-CG 3.65Å; I72-F173 HydrophobicContact CD1-CD1 4.27Å; I72-F173 HydrophobicContact CD1-CE1 3.76Å; I72-F173 HydrophobicContact CD1-CZ 4.46Å; I72-F173 HydrophobicContact CG1-CE1 4.31Å; I72-F173 HydrophobicContact CG2-CE1 4.09Å; I96-F173 HydrophobicContact CD1-CD1 3.81Å; I96-F173 HydrophobicContact CD1-CD2 4.34Å; I96-F173 HydrophobicContact CD1-CE1 3.48Å; I96-F173 VanDerWaalsContact CD1-CE1 3.48Å; I96-F173 HydrophobicContact CD1-CE2 4.06Å; I96-F173 HydrophobicContact CD1-CG 4.23Å; I96-F173 HydrophobicContact CD1-CZ 3.63Å; V169-F173 WeakPolarHBondContact O-CD2 3.31Å; K170-F173 PolarHBondContact O-N 2.97Å; F173-L176 PolarHBondContact O-N 2.9Å; F173-V177 VanDerWaalsContact O-CG2 3.29Å; F173-V177 WeakPolarHBondContact O-CG2 3.25Å; F173-V177 PolarHBondContact O-N 2.76Å
174E97.4Very high96.3Very high59 Ų5949.5 Ų49.528%0.27624%0.242SC..Hα-helixtrans-64.5-45.5-179.7-74.6-173143.100112.3R63 K170 A171 V172 V177 D178R63-E174 PolarHBondContact NH2-O 2.95Å; K170-E174 WeakPolarHBondContact CE-OE1 3.38Å; K170-E174 HydrophobicContact CG-CG 4.09Å; K170-E174 IonicContact NZ-OE1 2.69Å; K170-E174 PolarHBondContact NZ-OE1 2.92Å; K170-E174 IonicContact NZ-OE2 3.89Å; K170-E174 PolarHBondContact NZ-OE2 2.79Å; K170-E174 WeakPolarHBondContact O-CB 3.35Å; K170-E174 VanDerWaalsContact O-CG 3.32Å; K170-E174 WeakPolarHBondContact O-CG 3.35Å; K170-E174 PolarHBondContact O-N 3.21Å; A171-E174 PolarHBondContact O-N 3.03Å; V172-E174 VanDerWaalsContact C-N 3.32Å; V172-E174 PolarHBondContact O-N 3.3Å; E174-V177 PolarHBondContact O-N 3.28Å; E174-D178 PolarHBondContact O-N 3.47Å
175R98Very high95.8Very high67 Ų6747.1 Ų47.125%0.25324%0.241SC..Hα-helixtrans-63.9-41.9177.3-178.456.9-177144.52111.5E157 F159 A171 V172 V177 D178 I179 E182E157-R175 IonicContact OE1-CZ 3.44Å; E157-R175 VanDerWaalsContact OE1-CZ 3.3Å; E157-R175 IonicContact OE1-NE 2.75Å; E157-R175 PolarHBondContact OE1-NE 2.83Å; E157-R175 IonicContact OE1-NH2 3.35Å; E157-R175 PolarHBondContact OE1-NH2 3.24Å; F159-R175 HydrophobicContact CE2-CB 4.17Å; F159-R175 HydrophobicContact CE2-CG 4.07Å; F159-R175 HydrophobicContact CZ-CB 3.93Å; F159-R175 HydrophobicContact CZ-CG 4.01Å; A171-R175 WeakPolarHBondContact O-CB 3.26Å; A171-R175 PolarHBondContact O-N 2.89Å; V172-R175 PolarHBondContact O-N 3.05Å; R175-V177 VanDerWaalsContact C-N 3.32Å; R175-V177 PolarHBondContact O-N 3.42Å; R175-D178 PolarHBondContact O-N 3.29Å; R175-D178 VanDerWaalsContact O-N 3.17Å; R175-I179 HydrophobicContact CG-CD1 3.86Å; R175-I179 HydrophobicContact CG-CG1 4.37Å; R175-I179 VanDerWaalsContact CZ-CG1 3.47Å; R175-I179 WeakPolarHBondContact O-CD1 3.46Å; R175-I179 VanDerWaalsContact O-CG1 3.24Å; R175-I179 WeakPolarHBondContact O-CG1 3.49Å; R175-I179 PolarHBondContact O-N 2.81Å; R175-E182 IonicContact NH1-OE1 3.74Å; R175-E182 PolarHBondContact NH1-OE1 3.02Å; R175-E182 IonicContact NH1-OE2 2.68Å
176L98Very high95.2Very high0 Ų046.5 Ų46.50%024%0.238CC..Hα-helixtrans-60.3-42.4176.2179.759.7000111.8I22 I96 Q126 V128 V172 F173 D178 I179 I180I22-L176 HydrophobicContact CD1-CD2 4.07Å; I22-L176 HydrophobicContact CG1-CD2 4.23Å; I22-L176 HydrophobicContact CG2-CD2 3.74Å; I96-L176 HydrophobicContact CD1-CD2 4.32Å; I96-L176 HydrophobicContact CG1-CD2 3.71Å; Q126-L176 HydrophobicContact CB-CD1 4.01Å; V128-L176 HydrophobicContact CG2-CB 4.05Å; V128-L176 HydrophobicContact CG2-CD1 4.05Å; V172-L176 WeakPolarHBondContact O-CB 3.22Å; V172-L176 PolarHBondContact O-N 3.13Å; F173-L176 PolarHBondContact O-N 2.9Å; L176-D178 VanDerWaalsContact C-N 3.32Å; L176-D178 PolarHBondContact O-N 3.09Å; L176-I179 PolarHBondContact O-N 3Å; L176-I180 HydrophobicContact CD1-CD1 4.13Å; L176-I180 HydrophobicContact CD1-CG1 4.36Å; L176-I180 HydrophobicContact CG-CD1 4.01Å; L176-I180 WeakPolarHBondContact O-CD1 3.21Å; L176-I180 VanDerWaalsContact O-CG1 3.22Å; L176-I180 WeakPolarHBondContact O-CG1 3.26Å; L176-I180 PolarHBondContact O-N 3.17Å; L176-I180 VanDerWaalsContact O-N 3.08Å
177V97.1Very high94.4Very high1 Ų145.3 Ų45.31%0.00624%0.236CC..Hα-helixtrans-61.3-42175.4170.10000111.1F20 V61 R63 L70 F173 E174 R175 I180 C181F20-V177 HydrophobicContact CD2-CG1 4.43Å; F20-V177 HydrophobicContact CD2-CG2 4.47Å; F20-V177 HydrophobicContact CE2-CG1 4.02Å; V61-V177 HydrophobicContact CG2-CG1 4.4Å; V61-V177 HydrophobicContact CG2-CG2 4.48Å; R63-V177 HydrophobicContact CG-CG1 3.8Å; L70-V177 HydrophobicContact CD1-CG2 3.84Å; L70-V177 HydrophobicContact CD2-CG2 3.57Å; L70-V177 HydrophobicContact CG-CG2 4.36Å; F173-V177 VanDerWaalsContact O-CG2 3.29Å; F173-V177 WeakPolarHBondContact O-CG2 3.25Å; F173-V177 PolarHBondContact O-N 2.76Å; E174-V177 PolarHBondContact O-N 3.28Å; R175-V177 VanDerWaalsContact C-N 3.32Å; R175-V177 PolarHBondContact O-N 3.42Å; V177-I180 PolarHBondContact O-N 3.09Å; V177-C181 PolarHBondContact O-N 2.97Å; V177-C181 PolarHBondContact O-SG 3.05Å
178D95.9Very high93.3Very high54 Ų5447.8 Ų47.829%0.28925%0.246SC..Hα-helixtrans-63.7-47179.7-62.4-19000111.5R63 E174 R175 L176 I180 C181 E182R63-D178 WeakPolarHBondContact CD-OD1 3.24Å; R63-D178 IonicContact CZ-OD1 2.81Å; R63-D178 IonicContact NE-OD1 3.48Å; R63-D178 PolarHBondContact NE-OD1 3.2Å; R63-D178 IonicContact NH2-OD1 2.67Å; R63-D178 PolarHBondContact NH2-OD1 3.26Å; E174-D178 PolarHBondContact O-N 3.47Å; R175-D178 PolarHBondContact O-N 3.29Å; R175-D178 VanDerWaalsContact O-N 3.17Å; L176-D178 VanDerWaalsContact C-N 3.32Å; L176-D178 PolarHBondContact O-N 3.09Å; D178-I180 VanDerWaalsContact C-N 3.3Å; D178-I180 PolarHBondContact O-N 3.22Å; D178-C181 WeakPolarHBondContact O-CB 3.43Å; D178-C181 PolarHBondContact O-N 2.98Å; D178-C181 VanDerWaalsContact O-N 3.1Å; D178-E182 VanDerWaalsContact O-CG 3.3Å; D178-E182 WeakPolarHBondContact O-CG 3.5Å; D178-E182 PolarHBondContact O-N 3.3Å
179I95.4Very high92.1Very high17 Ų1748.5 Ų48.59%0.08725%0.254CS..Hα-helixtrans-62.2-38.7178.6-57.9158.9000110.9Q126 V128 E157 R175 L176 E182 K183Q126-I179 HydrophobicContact CB-CG2 4Å; Q126-I179 HydrophobicContact CG-CB 4.49Å; Q126-I179 HydrophobicContact CG-CG2 3.72Å; V128-I179 HydrophobicContact CG2-CD1 4.15Å; E157-I179 HydrophobicContact CB-CD1 4.35Å; E157-I179 HydrophobicContact CG-CD1 3.79Å; R175-I179 HydrophobicContact CG-CD1 3.86Å; R175-I179 HydrophobicContact CG-CG1 4.37Å; R175-I179 VanDerWaalsContact CZ-CG1 3.47Å; R175-I179 WeakPolarHBondContact O-CD1 3.46Å; R175-I179 VanDerWaalsContact O-CG1 3.24Å; R175-I179 WeakPolarHBondContact O-CG1 3.49Å; R175-I179 PolarHBondContact O-N 2.81Å; L176-I179 PolarHBondContact O-N 3Å; I179-E182 PolarHBondContact O-N 2.96Å; I179-K183 WeakPolarHBondContact O-CB 3.34Å; I179-K183 PolarHBondContact O-N 3.09Å
180I95Very high90.8Very high4 Ų451.9 Ų51.92%0.02128%0.277CS..Hα-helixtrans-63.7-43.8175.4-66.9165.7000110.6F20 I22 M93 Q126 L176 V177 D178 K183 M184F20-I180 HydrophobicContact CD1-CG2 3.97Å; F20-I180 HydrophobicContact CD2-CB 4.14Å; F20-I180 HydrophobicContact CD2-CD1 4.04Å; F20-I180 HydrophobicContact CD2-CG2 3.75Å; F20-I180 HydrophobicContact CE1-CG2 3.83Å; F20-I180 HydrophobicContact CE2-CB 3.92Å; F20-I180 HydrophobicContact CE2-CG2 3.56Å; F20-I180 HydrophobicContact CG-CD1 4.44Å; F20-I180 HydrophobicContact CG-CG2 3.97Å; F20-I180 HydrophobicContact CZ-CB 4.41Å; F20-I180 HydrophobicContact CZ-CG2 3.65Å; I22-I180 HydrophobicContact CG1-CD1 4.44Å; M93-I180 HydrophobicContact CB-CD1 4.23Å; M93-I180 HydrophobicContact CB-CG2 4.16Å; M93-I180 HydrophobicContact CE-CG2 3.67Å; Q126-I180 HydrophobicContact CB-CG1 4.1Å; Q126-I180 HydrophobicContact CG-CG1 4.02Å; L176-I180 HydrophobicContact CD1-CD1 4.13Å; L176-I180 HydrophobicContact CD1-CG1 4.36Å; L176-I180 HydrophobicContact CG-CD1 4.01Å; L176-I180 WeakPolarHBondContact O-CD1 3.21Å; L176-I180 VanDerWaalsContact O-CG1 3.22Å; L176-I180 WeakPolarHBondContact O-CG1 3.26Å; L176-I180 PolarHBondContact O-N 3.17Å; L176-I180 VanDerWaalsContact O-N 3.08Å; V177-I180 PolarHBondContact O-N 3.09Å; D178-I180 VanDerWaalsContact C-N 3.3Å; D178-I180 PolarHBondContact O-N 3.22Å; I180-K183 PolarHBondContact O-N 3.34Å; I180-M184 HydrophobicContact CG2-CE 4.49Å; I180-M184 WeakPolarHBondContact O-CG 3.25Å; I180-M184 PolarHBondContact O-N 3.2Å
181C92.9Very high89.5Confident37 Ų3751.4 Ų51.425%0.2528%0.28CS..Hα-helixtrans-62-46.1176-720000112.2V177 D178 K183 M184 A185V177-C181 PolarHBondContact O-N 2.97Å; V177-C181 PolarHBondContact O-SG 3.05Å; D178-C181 WeakPolarHBondContact O-CB 3.43Å; D178-C181 PolarHBondContact O-N 2.98Å; D178-C181 VanDerWaalsContact O-N 3.1Å; C181-K183 VanDerWaalsContact C-N 3.34Å; C181-K183 PolarHBondContact O-N 3.13Å; C181-M184 PolarHBondContact O-N 3.02Å; C181-A185 PolarHBondContact O-N 2.96Å
182E92.2Very high87.9Confident94 Ų9452.9 Ų52.944%0.43929%0.289SS..Hα-helixtrans-55.4-49.1175.1-71162.9-164.300110.2R175 D178 I179 M184 A185 E186R175-E182 IonicContact NH1-OE1 3.74Å; R175-E182 PolarHBondContact NH1-OE1 3.02Å; R175-E182 IonicContact NH1-OE2 2.68Å; D178-E182 VanDerWaalsContact O-CG 3.3Å; D178-E182 WeakPolarHBondContact O-CG 3.5Å; D178-E182 PolarHBondContact O-N 3.3Å; I179-E182 PolarHBondContact O-N 2.96Å; E182-M184 PolarHBondContact O-N 3.37Å; E182-A185 PolarHBondContact O-N 3.04Å; E182-E186 PolarHBondContact O-N 3.31Å; E182-E186 VanDerWaalsContact O-N 3.1Å
183K90.8Very high86.1Confident68 Ų6855.5 Ų55.530%0.29631%0.31SS..Hα-helixtrans-64.3-37.6-179.9-164.773.4-159.2156.50113.4N124 Q126 I179 I180 C181 E186 S187N124-K183 HydrophobicContact CB-CG 4.21Å; N124-K183 WeakPolarHBondContact OD1-CE 3.48Å; Q126-K183 HydrophobicContact CG-CB 4.48Å; I179-K183 WeakPolarHBondContact O-CB 3.34Å; I179-K183 PolarHBondContact O-N 3.09Å; I180-K183 PolarHBondContact O-N 3.34Å; C181-K183 VanDerWaalsContact C-N 3.34Å; C181-K183 PolarHBondContact O-N 3.13Å; K183-E186 IonicContact NZ-OE2 2.8Å; K183-E186 PolarHBondContact NZ-OE2 2.82Å; K183-S187 PolarHBondContact O-N 3.02Å
184M87.5Confident84.3Confident42 Ų4262.2 Ų62.221%0.20734%0.343CS..Hα-helixtrans-66.5-39.5175-73.5-168.9-53.700111.9Y18 F20 M93 I180 C181 E182 S187 L188Y18-M184 HydrophobicContact CD1-CE 4.08Å; Y18-M184 HydrophobicContact CD1-SD 4.45Å; Y18-M184 HydrophobicContact CE1-CE 4.31Å; Y18-M184 HydrophobicContact CG-CE 4.32Å; F20-M184 HydrophobicContact CE1-CE 3.31Å; F20-M184 HydrophobicContact CE1-SD 3.77Å; F20-M184 HydrophobicContact CZ-CE 3.26Å; F20-M184 HydrophobicContact CZ-SD 4.28Å; M93-M184 HydrophobicContact CE-CG 4.13Å; M93-M184 HydrophobicContact CE-SD 3.5Å; M93-M184 VanDerWaalsContact CE-SD 3.5Å; I180-M184 HydrophobicContact CG2-CE 4.49Å; I180-M184 WeakPolarHBondContact O-CG 3.25Å; I180-M184 PolarHBondContact O-N 3.2Å; C181-M184 PolarHBondContact O-N 3.02Å; E182-M184 PolarHBondContact O-N 3.37Å; M184-S187 PolarHBondContact O-N 3.1Å; M184-S187 PolarHBondContact O-OG 2.86Å; M184-L188 WeakPolarHBondContact O-CG 3.35Å; M184-L188 PolarHBondContact O-N 3.45Å
185A86.7Confident82.4Confident48 Ų4862.8 Ų62.840%0.39736%0.358SS..Hα-helixtrans-62-45176.800000111.6C181 E182 S187 L188 D189C181-A185 PolarHBondContact O-N 2.96Å; E182-A185 PolarHBondContact O-N 3.04Å; A185-S187 PolarHBondContact O-N 3.37Å; A185-L188 PolarHBondContact O-N 3.06Å; A185-L188 VanDerWaalsContact O-N 3.15Å; A185-D189 PolarHBondContact O-N 3.14Å
186E85.6Confident80.3Confident102 Ų10266.9 Ų66.948%0.47738%0.38SS..Hα-helixtrans-56.9-36.7175.7-69.6176179.800113E182 K183 S190E182-E186 PolarHBondContact O-N 3.31Å; E182-E186 VanDerWaalsContact O-N 3.1Å; K183-E186 IonicContact NZ-OE2 2.8Å; K183-E186 PolarHBondContact NZ-OE2 2.82Å; E186-S190 WeakPolarHBondContact O-CB 3.43Å; E186-S190 PolarHBondContact O-N 2.7Å; E186-S190 PolarHBondContact O-OG 3.22Å
187S80.4Confident78.4Confident49 Ų4972.4 Ų72.434%0.34341%0.414SS..Hα-helixtrans-70.2-36.6179.569.90000112.9K183 M184 A185 S190 D191K183-S187 PolarHBondContact O-N 3.02Å; M184-S187 PolarHBondContact O-N 3.1Å; M184-S187 PolarHBondContact O-OG 2.86Å; A185-S187 PolarHBondContact O-N 3.37Å; S187-S190 PolarHBondContact O-N 3.32Å; S187-D191 PolarHBondContact O-N 3.4Å
188L76.7Confident76.1Confident106 Ų10681.7 Ų81.756%0.55545%0.454SS*.Hα-helixtrans-70.6-37.3178.8-67.8168.6000112.2M184 A185 S192M184-L188 WeakPolarHBondContact O-CG 3.35Å; M184-L188 PolarHBondContact O-N 3.45Å; A185-L188 PolarHBondContact O-N 3.06Å; A185-L188 VanDerWaalsContact O-N 3.15Å; L188-S192 WeakPolarHBondContact O-CB 3.5Å; L188-S192 PolarHBondContact O-N 3.01Å; L188-S192 VanDerWaalsContact O-N 3.16Å; L188-S192 PolarHBondContact O-OG 2.92Å
189D74Confident73.8Confident114 Ų11482.1 Ų82.161%0.6147%0.472SS*.Hα-helixtrans-68.7-38.3177-71-21.6000111.4A185 S192 A193A185-D189 PolarHBondContact O-N 3.14Å; D189-S192 PolarHBondContact O-N 3.21Å; D189-A193 WeakPolarHBondContact O-CB 3.47Å; D189-A193 PolarHBondContact O-N 3.21Å
190S70.6Confident71.6Confident71 Ų7187 Ų8750%0.49750%0.502SS..Hα-helixtrans-64.9-43178.5-60.30000112.3E186 S187 S192 A193 M194E186-S190 WeakPolarHBondContact O-CB 3.43Å; E186-S190 PolarHBondContact O-N 2.7Å; E186-S190 PolarHBondContact O-OG 3.22Å; S187-S190 PolarHBondContact O-N 3.32Å; S190-S192 VanDerWaalsContact C-N 3.35Å; S190-A193 PolarHBondContact O-N 3.06Å; S190-M194 PolarHBondContact O-N 2.77Å; S190-M194 VanDerWaalsContact O-N 3.09Å
191D69.9Low69.2Low110 Ų11098.1 Ų98.159%0.58854%0.544SS*.Hα-helixtrans-65.9-38.3176.4-77.5-16.1000111.8S187 M194 A195S187-D191 PolarHBondContact O-N 3.4Å; D191-M194 PolarHBondContact O-N 2.8Å; D191-A195 PolarHBondContact O-N 3.17Å
192S65.8Low67Low68 Ų68104.9 Ų104.948%0.47658%0.577SS.*Hα-helixtrans-66.8-39.8177.4-60.60000112.3L188 D189 S190 A195 Q196L188-S192 WeakPolarHBondContact O-CB 3.5Å; L188-S192 PolarHBondContact O-N 3.01Å; L188-S192 VanDerWaalsContact O-N 3.16Å; L188-S192 PolarHBondContact O-OG 2.92Å; D189-S192 PolarHBondContact O-N 3.21Å; S190-S192 VanDerWaalsContact C-N 3.35Å; S192-A195 PolarHBondContact O-N 2.89Å; S192-Q196 PolarHBondContact O-N 3.14Å
193A60.4Low65Low54 Ų54106.8 Ų106.845%0.44660%0.595SS.*Hα-helixtrans-67.8-37.3176.100000112.7D189 S190 A195 Q196 T197D189-A193 WeakPolarHBondContact O-CB 3.47Å; D189-A193 PolarHBondContact O-N 3.21Å; S190-A193 PolarHBondContact O-N 3.06Å; A193-A195 VanDerWaalsContact C-N 3.34Å; A193-Q196 PolarHBondContact O-N 3.49Å; A193-T197 PolarHBondContact O-N 2.67Å; A193-T197 PolarHBondContact O-OG1 3.43Å
194M60.4Low62.8Low141 Ų141110.5 Ų110.570%0.69562%0.618SS**Hα-helixtrans-68.6-31.9174.2-89.317261.600112.7S190 D191S190-M194 PolarHBondContact O-N 2.77Å; S190-M194 VanDerWaalsContact O-N 3.09Å; D191-M194 PolarHBondContact O-N 2.8Å
195A57.3Low61.1Low72 Ų72117.7 Ų117.760%0.59565%0.653SS**Hα-helixtrans-69.5-37.5175.200000112.7D191 S192 A193D191-A195 PolarHBondContact O-N 3.17Å; S192-A195 PolarHBondContact O-N 2.89Å; A193-A195 VanDerWaalsContact C-N 3.34Å
196Q54.6Low58.9Low153 Ų153120.9 Ų120.972%0.71567%0.67SS**Hα-helixtrans-71.1-32.6-180-74.6-178.6-300113.3S192 A193 K198 G199S192-Q196 PolarHBondContact O-N 3.14Å; A193-Q196 PolarHBondContact O-N 3.49Å; Q196-K198 VanDerWaalsContact C-N 3.25Å; Q196-K198 PolarHBondContact O-N 3.27Å; Q196-G199 PolarHBondContact O-N 3.47Å
197T56.2Low57.2Low115 Ų115120.6 Ų120.671%0.70669%0.685SS**THydrogen-bonded Turntrans-71.9-14.8-178.4-38.80000113.7A193A193-T197 PolarHBondContact O-N 2.67Å; A193-T197 PolarHBondContact O-OG1 3.43Å
198K50.7Low55.6Low197 Ų197124.5 Ų124.586%0.85770%0.702SS**THydrogen-bonded Turntrans-93.2-1.6175.1-80.6-176.4175.91770114.5Q196Q196-K198 VanDerWaalsContact C-N 3.25Å; Q196-K198 PolarHBondContact O-N 3.27Å
199G46.1Very low54.2Low63 Ų63130.3 Ų130.365%0.64972%0.717SS**SBendtrans-97.5-4.8-172.700000117.2Q196Q196-G199 PolarHBondContact O-N 3.47Å
200T49.8Very low52.9Low120 Ų120132.2 Ų132.274%0.73673%0.727SS**  trans-117.667.4-170.545.10000113.5
201R45.2Very low52.1Low236 Ų236138.4 Ų138.489%0.89175%0.745SS**  trans-154.5100.4154.1-88.2-166.9-179.1169.10.3109.6
202L47.2Very low50.9Low179 Ų179138.7 Ų138.794%0.93775%0.753SS**  trans164.986.4137.8-85.6161.7000108.9
203T49Very low50.5Low134 Ų134140.2 Ų140.282%0.82276%0.764SS**  trans-78.9124.8168.843.60000110.6
204D45.3Very low50.2Low147 Ų147147 Ų14779%0.78679%0.786SS**  trans37.5121.9143.4-70.1-41.3000121.8
205M52.2Low49.9Very low192 Ų192144.2 Ų144.295%0.94679%0.793SS**  -157.7119.9128.8-107.9173.682.300110.7
206P39.9Very low49.7Very low116 Ų116146 Ų14675%0.75380%0.8SS**  trans-102.7142.7168.835.4-26.5000111.3
207A49.1Very low49.4Very low96 Ų96145.6 Ų145.679%0.79380%0.803SS**  trans164110.4137.200000113.5
208N48.1Very low49.2Very low131 Ų131149.9 Ų149.970%0.70184%0.835SS**  60.4110.2118.8-154.713.9000120
209R46.9Very low49.2Very low228 Ų228147.5 Ų147.586%0.8683%0.834SS**  172.7135.5100.9-95-174.9173.7170.7-2114
210N46.7Very low49.3Very low153 Ų153151.9 Ų151.982%0.81884%0.844SS**  trans-44.6140.5167.8-67.2-34.7000115.7
211K54.2Low49.3Very low201 Ų201153.7 Ų153.787%0.87485%0.85SS**  178.8155.393.6-99.8-172.3178.8179.50112.4
212P44.8Very low49.5Very low116 Ų116148.9 Ų148.975%0.75385%0.848SS**  trans-102.4152.3-170.138.4-29.6000112.7
213S56.9Low49.7Very low101 Ų101147 Ų14771%0.70684%0.842SS**  trans178.4130.4138.958.70000112.8
214Q54.2Low49.7Very low196 Ų196147.9 Ų147.992%0.91684%0.843SS**  trans75.1130.4138.5-70.8177.311.600120.8
215G53Low50Low82 Ų82147.9 Ų147.985%0.84585%0.847SS**  trans140.896.4144.600000114
216C54.4Low49.9Very low110 Ų110144.5 Ų144.574%0.74384%0.84SS**  trans-92.7154.4-179-164.20000112.1
217N47.3Very low50.7Low144 Ų144146.9 Ų146.977%0.7785%0.847SS**  trans60.2115.8154.7-76.4-4.6000120.5
218C53Low50.9Low205 Ų205151.5 Ų151.5100%1.38585%0.852SS**  -162.8090.1-105.30000109.9

Retrieved 218 of 218 residues in 166.3 ms (Link to these results)

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