A0A077Z4B6_TRITR Loading...

Brix domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4B6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 336 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43Very low43Very low234 Ų234150.5 Ų150.5100%1.15381%0.806SS**  093.80-167.1-175.5-149.100108.9R3M1-R3 PolarHBondContact O-N 3.41Å; M1-R3 VanDerWaalsContact O-N 3.14Å
2V44.7Very low43.9Very low143 Ų143151.7 Ų151.787%0.86780%0.803SS**  trans-74.5106.3177.6178.10000107.6R4V2-R4 PolarHBondContact O-N 3.49Å
3R38.6Very low45.3Very low237 Ų237147.7 Ų147.789%0.89478%0.777SS**  trans-59.899.7172.1-86.4-179.3164.8177.4-4.1108.2M1 S5M1-R3 PolarHBondContact O-N 3.41Å; M1-R3 VanDerWaalsContact O-N 3.14Å; R3-S5 PolarHBondContact O-N 3.49Å
4R40.9Very low47Very low235 Ų235141.9 Ų141.989%0.88775%0.753SS**  trans-62.8104.2157.8-85.4-178.2170.3172.1-1.9106V2 K6V2-R4 PolarHBondContact O-N 3.49Å; R4-K6 PolarHBondContact O-N 3.41Å
5S43.3Very low48.5Very low113 Ų113140.5 Ų140.579%0.7975%0.745SS**  trans-57.710816144.30000106.2R3 A7R3-S5 PolarHBondContact O-N 3.49Å; S5-A7 PolarHBondContact O-N 3.06Å
6K38.1Very low50Low199 Ų199140.1 Ų140.187%0.86574%0.738SS**  trans-58100.8159.4-78.2177.2176.4174.60104.1R4 S8R4-K6 PolarHBondContact O-N 3.41Å; K6-S8 PolarHBondContact O-N 3.21Å
7A44.5Very low51.2Low84 Ų84134.9 Ų134.969%0.69471%0.71SS**  trans-50.5119.5161.700000104.8S5 I9S5-A7 PolarHBondContact O-N 3.06Å; A7-I9 PolarHBondContact O-N 3.37Å
8S44.5Very low52.3Low83 Ų83131 Ų13158%0.5869%0.686SS**  trans-56102.7179.345.50000107.8K6 G10K6-S8 PolarHBondContact O-N 3.21Å; S8-G10 PolarHBondContact O-N 3.16Å
9I44.1Very low53.7Low183 Ų183134.2 Ų134.294%0.93869%0.694SS**THydrogen-bonded Turntrans-64.73.6173.8-72.5164.6000111.1A7A7-I9 PolarHBondContact O-N 3.37Å
10G41.6Very low55.2Low57 Ų57128 Ų12859%0.58866%0.663SS**THydrogen-bonded Turntrans-142.323.8-173.100000116.1S8 Q12S8-G10 PolarHBondContact O-N 3.16Å; G10-Q12 PolarHBondContact O-N 3.34Å
11S50.1Low56.8Low87 Ų87122.8 Ų122.861%0.60864%0.638SS**  trans-69.286.2159.447.50000106.8E13S11-E13 PolarHBondContact O-N 3.07Å
12Q52.9Low59.2Low165 Ų165113.1 Ų113.177%0.77159%0.59SS**  trans-59.5103.7178.1-74.7-173.7-15.500107.4G10G10-Q12 PolarHBondContact O-N 3.34Å
13E62.7Low61.4Low100 Ų100106.4 Ų106.447%0.46755%0.549SS..  trans-56.9142.8168.8-69.9-178.716000108.5S11 L17 K18S11-E13 PolarHBondContact O-N 3.07Å; E13-L17 HydrophobicContact CB-CB 4.29Å; E13-K18 HydrophobicContact CB-CG 4.16Å; E13-K18 WeakPolarHBondContact O-CE 3.49Å; E13-K18 PolarHBondContact O-NZ 2.94Å; E13-K18 VanDerWaalsContact O-NZ 3.09Å
14P68.7Low64.1Low67 Ų6795.6 Ų95.644%0.43551%0.508SS..  trans-56.4143.617625.8-37.2000110.1H16 L17 K18P14-H16 VanDerWaalsContact CB-CE1 3.43Å; P14-H16 WeakPolarHBondContact CB-CE1 3.5Å; P14-H16 WeakPolarHBondContact CB-ND1 3.39Å; P14-H16 WeakPolarHBondContact CG-CE1 3.38Å; P14-H16 PolarHBondContact O-N 3.36Å; P14-L17 HydrophobicContact CG-CB 4.43Å; P14-L17 HydrophobicContact CG-CD1 3.64Å; P14-L17 HydrophobicContact CG-CG 4.01Å; P14-L17 WeakPolarHBondContact O-CB 3.49Å; P14-L17 PolarHBondContact O-N 3.27Å; P14-K18 PolarHBondContact O-N 3.29Å
15D69.6Low66.7Low120 Ų12084.4 Ų84.464%0.64247%0.466SS*.Hα-helixtrans-61.2-25.5-165.6-64.1-31.4000113.9L17 K18 K19D15-L17 VanDerWaalsContact C-N 3.32Å; D15-L17 PolarHBondContact O-N 3.19Å; D15-K18 PolarHBondContact O-N 3.46Å; D15-K18 IonicContact OD1-NZ 2.77Å; D15-K18 PolarHBondContact OD1-NZ 3.18Å; D15-K18 VanDerWaalsContact OD1-NZ 3.09Å; D15-K19 WeakPolarHBondContact O-CB 3.2Å; D15-K19 PolarHBondContact O-N 3.2Å
16H72Confident69.2Low135 Ų13579.2 Ų79.263%0.62543%0.43SS*.Hα-helixtrans-62.9-36.3172.871.1-91.1000112.8P14 A20P14-H16 VanDerWaalsContact CB-CE1 3.43Å; P14-H16 WeakPolarHBondContact CB-CE1 3.5Å; P14-H16 WeakPolarHBondContact CB-ND1 3.39Å; P14-H16 WeakPolarHBondContact CG-CE1 3.38Å; P14-H16 PolarHBondContact O-N 3.36Å; H16-A20 PolarHBondContact O-N 3.33Å
17L70.9Confident71.8Confident52 Ų5271.7 Ų71.727%0.27240%0.397SS..Hα-helixtrans-72.2-44.4174.7-70.8175.1000110.2E13 P14 D15 K19 A20 H22 F49E13-L17 HydrophobicContact CB-CB 4.29Å; P14-L17 HydrophobicContact CG-CB 4.43Å; P14-L17 HydrophobicContact CG-CD1 3.64Å; P14-L17 HydrophobicContact CG-CG 4.01Å; P14-L17 WeakPolarHBondContact O-CB 3.49Å; P14-L17 PolarHBondContact O-N 3.27Å; D15-L17 VanDerWaalsContact C-N 3.32Å; D15-L17 PolarHBondContact O-N 3.19Å; L17-K19 VanDerWaalsContact C-N 3.25Å; L17-K19 PolarHBondContact O-N 3.15Å; L17-A20 VanDerWaalsContact O-CB 3.26Å; L17-A20 WeakPolarHBondContact O-CB 3.07Å; L17-A20 PolarHBondContact O-N 3.26Å; L17-H22 PolarHBondContact O-CE1 2.75Å; L17-F49 HydrophobicContact CD2-CE1 3.82Å; L17-F49 HydrophobicContact CD2-CZ 4.28Å
18K71.2Confident74Confident64 Ų6473.6 Ų73.628%0.27839%0.387SS..Hα-helixtrans-59.9-34.5178.8-69179.5-172.91420113.5E13 P14 D15 N73E13-K18 HydrophobicContact CB-CG 4.16Å; E13-K18 WeakPolarHBondContact O-CE 3.49Å; E13-K18 PolarHBondContact O-NZ 2.94Å; E13-K18 VanDerWaalsContact O-NZ 3.09Å; P14-K18 PolarHBondContact O-N 3.29Å; D15-K18 PolarHBondContact O-N 3.46Å; D15-K18 IonicContact OD1-NZ 2.77Å; D15-K18 PolarHBondContact OD1-NZ 3.18Å; D15-K18 VanDerWaalsContact OD1-NZ 3.09Å; K18-N73 PolarHBondContact O-ND2 3.09Å; K18-N73 VanDerWaalsContact O-ND2 3.12Å
19K79.9Confident76.2Confident191 Ų19172.4 Ų72.483%0.8339%0.388SS*.Hα-helixtrans-80.4-17.9178-169.6173.2-179.1-1780112.5D15 L17D15-K19 WeakPolarHBondContact O-CB 3.2Å; D15-K19 PolarHBondContact O-N 3.2Å; L17-K19 VanDerWaalsContact C-N 3.25Å; L17-K19 PolarHBondContact O-N 3.15Å
20A83.7Confident78.3Confident10 Ų1074.9 Ų74.98%0.08339%0.385CS..SBendtrans-65.8145.2178.300000110.9H16 L17 H22 F49H16-A20 PolarHBondContact O-N 3.33Å; L17-A20 VanDerWaalsContact O-CB 3.26Å; L17-A20 WeakPolarHBondContact O-CB 3.07Å; L17-A20 PolarHBondContact O-N 3.26Å; A20-H22 PolarHBondContact O-N 3.39Å; A20-H22 PolarHBondContact O-ND1 3.33Å; A20-F49 HydrophobicContact CB-CD1 3.73Å; A20-F49 HydrophobicContact CB-CE1 3.29Å; A20-F49 HydrophobicContact CB-CZ 3.83Å
21P88Confident80.7Confident19 Ų1972.2 Ų72.212%0.12336%0.358CS..PPolyproline II helixtrans-68.3117.5179.426.5-32.5000110.4F49 T75 G154 L156P21-F49 WeakPolarHBondContact O-CB 3.41Å; P21-T75 WeakPolarHBondContact CA-OG1 3.5Å; P21-T75 HydrophobicContact CB-CG2 4.08Å; P21-T75 VanDerWaalsContact CB-OG1 3.32Å; P21-T75 WeakPolarHBondContact CB-OG1 3.5Å; P21-G154 WeakPolarHBondContact CB-O 3.42Å; P21-G154 WeakPolarHBondContact CG-O 3.43Å; P21-L156 WeakPolarHBondContact CG-O 3.16Å
22H92.3Very high82.7Confident32 Ų3269 Ų6915%0.14834%0.339CS..EExtended strand (participates in β ladder)trans-94.4148.4173.5-69.281.3000111.4L17 A20 F49 V74 T75 H76L17-H22 PolarHBondContact O-CE1 2.75Å; A20-H22 PolarHBondContact O-N 3.39Å; A20-H22 PolarHBondContact O-ND1 3.33Å; H22-F49 CarbonylContact C-O 3.6Å; H22-F49 WeakPolarHBondContact CA-O 3.49Å; H22-F49 AromaticContact NE2-CD1 3.97Å; H22-V74 HydrophobicContact CB-CG2 4.13Å; H22-V74 WeakPolarHBondContact O-CG1 3.27Å; H22-T75 PolarHBondContact O-N 2.89Å; H22-T75 PolarHBondContact O-OG1 3.4Å; H22-H76 PolarHBondContact O-N 3.47Å
23S92.7Very high84.6Confident1 Ų170.8 Ų70.81%0.00734%0.338CS..EExtended strand (participates in β ladder)trans-124.9138.3-179.6-66.70000112.4F49 T50 H76S23-F49 PolarHBondContact N-O 3.34Å; S23-T50 WeakPolarHBondContact O-CA 3.48Å; S23-H76 CarbonylContact C-O 3.6Å; S23-H76 VanDerWaalsContact CA-O 3.25Å; S23-H76 WeakPolarHBondContact CA-O 3.38Å
24F94.6Very high86.2Confident10 Ų1070.2 Ų70.24%0.04434%0.338CS..EExtended strand (participates in β ladder)trans-105.3122.8165.8-73.7-15.6000110.8F26 A51 L54 V68 F72 V74 H76 F77 L78F24-F26 HydrophobicContact CB-CD1 4.03Å; F24-F26 HydrophobicContact CB-CE1 4.1Å; F24-A51 HydrophobicContact CD1-CB 4.16Å; F24-A51 HydrophobicContact CE1-CB 3.94Å; F24-L54 HydrophobicContact CB-CD2 4.04Å; F24-L54 HydrophobicContact CD1-CD2 4.04Å; F24-L54 HydrophobicContact CD2-CD2 4.27Å; F24-L54 HydrophobicContact CG-CD2 3.88Å; F24-V68 HydrophobicContact CE2-CG1 4.21Å; F24-V68 HydrophobicContact CZ-CG1 4.41Å; F24-F72 HydrophobicContact CZ-CB 4.19Å; F24-F72 HydrophobicContact CZ-CD2 4.11Å; F24-F72 HydrophobicContact CZ-CG 4.37Å; F24-V74 HydrophobicContact CB-CG1 4.26Å; F24-V74 HydrophobicContact CD1-CG1 4.27Å; F24-V74 HydrophobicContact CD1-CG2 3.76Å; F24-V74 HydrophobicContact CD2-CB 4.48Å; F24-V74 HydrophobicContact CD2-CG1 4.17Å; F24-V74 HydrophobicContact CD2-CG2 4.05Å; F24-V74 HydrophobicContact CE1-CG2 3.48Å; F24-V74 VanDerWaalsContact CE1-CG2 3.48Å; F24-V74 HydrophobicContact CE2-CG2 3.78Å; F24-V74 HydrophobicContact CG-CG1 3.95Å; F24-V74 HydrophobicContact CG-CG2 4.05Å; F24-V74 HydrophobicContact CZ-CG2 3.5Å; F24-V74 VanDerWaalsContact CZ-CG2 3.5Å; F24-H76 PolarHBondContact N-O 2.92Å; F24-F77 HydrophobicContact CB-CD1 3.72Å; F24-F77 HydrophobicContact CB-CE1 3.97Å; F24-F77 HydrophobicContact CD2-CD1 4.24Å; F24-F77 AromaticContact CD2-CE1 3.59Å; F24-F77 HydrophobicContact CD2-CE1 3.59Å; F24-F77 HydrophobicContact CD2-CZ 4.35Å; F24-F77 HydrophobicContact CE2-CE1 4.49Å; F24-F77 HydrophobicContact CG-CD1 4.37Å; F24-F77 HydrophobicContact CG-CE1 4.12Å; F24-F77 WeakPolarHBondContact O-CA 3.41Å; F24-L78 PolarHBondContact O-N 3.36Å
25I95.5Very high87.5Confident1 Ų167.2 Ų67.21%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-111.5116.7178.2-46.7-175.6000108.7I39 M42 R43 F46 T50 L78 F80I25-I39 HydrophobicContact CG2-CG2 4.19Å; I25-M42 HydrophobicContact CD1-CB 4.07Å; I25-M42 WeakPolarHBondContact CD1-O 3.42Å; I25-M42 HydrophobicContact CG2-CB 4.17Å; I25-R43 HydrophobicContact CB-CG 3.91Å; I25-R43 HydrophobicContact CD1-CG 4.33Å; I25-R43 HydrophobicContact CG1-CG 4.43Å; I25-R43 VanDerWaalsContact O-CZ 3.28Å; I25-R43 PolarHBondContact O-NE 3.41Å; I25-R43 PolarHBondContact O-NH2 3.15Å; I25-F46 HydrophobicContact CD1-CB 4.36Å; I25-F46 HydrophobicContact CD1-CD2 3.74Å; I25-F46 HydrophobicContact CD1-CG 4.43Å; I25-T50 HydrophobicContact CB-CG2 4.48Å; I25-T50 HydrophobicContact CD1-CG2 3.95Å; I25-T50 HydrophobicContact CG1-CG2 3.85Å; I25-L78 WeakPolarHBondContact CA-O 3.43Å; I25-L78 HydrophobicContact CB-CB 4.33Å; I25-L78 HydrophobicContact CD1-CD2 4.16Å; I25-L78 HydrophobicContact CG1-CB 4.07Å; I25-L78 HydrophobicContact CG1-CD1 4.44Å; I25-L78 HydrophobicContact CG1-CD2 4.31Å; I25-L78 HydrophobicContact CG2-CB 4.02Å; I25-F80 HydrophobicContact CG2-CD2 4.36Å; I25-F80 HydrophobicContact CG2-CE2 3.98Å
26F94.9Very high88.7Confident4 Ų467.1 Ų67.12%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-152.4175.5-177.659.8-84.6000112.4F24 V56 L62 F65 F77 L78 I79 F80F24-F26 HydrophobicContact CB-CD1 4.03Å; F24-F26 HydrophobicContact CB-CE1 4.1Å; F26-V56 HydrophobicContact CB-CG2 3.46Å; F26-V56 VanDerWaalsContact CB-CG2 3.46Å; F26-V56 HydrophobicContact CD2-CG2 4.3Å; F26-V56 HydrophobicContact CG-CG2 4.12Å; F26-L62 HydrophobicContact CE2-CD1 4.43Å; F26-L62 HydrophobicContact CZ-CD1 4.06Å; F26-F65 HydrophobicContact CD2-CE2 4.23Å; F26-F65 HydrophobicContact CD2-CZ 4.2Å; F26-F65 HydrophobicContact CE1-CD1 4.28Å; F26-F65 HydrophobicContact CE1-CG 4.35Å; F26-F65 AromaticContact CE2-CD2 3.95Å; F26-F65 HydrophobicContact CE2-CD2 3.95Å; F26-F65 AromaticContact CE2-CE2 3.93Å; F26-F65 HydrophobicContact CE2-CE2 3.93Å; F26-F65 HydrophobicContact CE2-CG 4.32Å; F26-F65 HydrophobicContact CE2-CZ 4.29Å; F26-F65 HydrophobicContact CZ-CB 4.35Å; F26-F65 HydrophobicContact CZ-CD1 4.3Å; F26-F65 HydrophobicContact CZ-CD2 4.01Å; F26-F65 HydrophobicContact CZ-CE2 4.4Å; F26-F65 AromaticContact CZ-CG 3.96Å; F26-F65 HydrophobicContact CZ-CG 3.96Å; F26-F77 HydrophobicContact CE1-CB 4.18Å; F26-F77 HydrophobicContact CE1-CD1 4.25Å; F26-F77 HydrophobicContact CE1-CD2 4.31Å; F26-F77 HydrophobicContact CE1-CG 4Å; F26-F77 HydrophobicContact CZ-CD2 4.28Å; F26-F77 HydrophobicContact CZ-CG 4.4Å; F26-L78 PolarHBondContact N-O 3.45Å; F26-I79 HydrophobicContact CD2-CG2 4.45Å; F26-I79 HydrophobicContact CE1-CD1 4.44Å; F26-I79 HydrophobicContact CE1-CG1 4.09Å; F26-I79 HydrophobicContact CE2-CD1 3.93Å; F26-I79 HydrophobicContact CE2-CG1 3.92Å; F26-I79 HydrophobicContact CE2-CG2 4.18Å; F26-I79 HydrophobicContact CZ-CD1 3.62Å; F26-I79 HydrophobicContact CZ-CG1 3.66Å; F26-I79 CarbonylContact O-C 3.59Å; F26-I79 WeakPolarHBondContact O-CA 3.43Å; F26-F80 PolarHBondContact O-N 2.85Å
27H94.3Very high89.7Confident40 Ų4063 Ų6319%0.18529%0.29CS..EExtended strand (participates in β ladder)trans-112.7157.717264.387.7000112.3G29 V31 I39 F80H27-G29 PolarHBondContact ND1-O 3.16Å; H27-V31 HydrophobicContact CB-CB 4.35Å; H27-V31 HydrophobicContact CB-CG1 3.7Å; H27-V31 HydrophobicContact CB-CG2 3.75Å; H27-V31 WeakPolarHBondContact ND1-CG2 3.28Å; H27-I39 HydrophobicContact CB-CD1 3.57Å; H27-F80 CarbonylContact C-O 3.57Å; H27-F80 WeakPolarHBondContact CA-O 3.13Å; H27-F80 HydrophobicContact CB-CB 4.32Å; H27-F80 WeakPolarHBondContact CB-O 3.32Å
28R90.8Very high91Very high124 Ų12460.5 Ų60.547%0.46828%0.277SS..  trans-120.3142.2168.6-169.2-178.1175.7776.1110.2I79 F80 T81R28-I79 HydrophobicContact CB-CG2 3.98Å; R28-F80 PolarHBondContact N-O 2.98Å; R28-T81 HydrophobicContact CB-CG2 4.03Å
29G89.1Confident92.1Very high59 Ų5957.8 Ų57.861%0.60827%0.265SS*.SBendtrans73.3-162.4-177.700000113.5H27 V31H27-G29 PolarHBondContact ND1-O 3.16Å; G29-V31 PolarHBondContact O-N 3.16Å
30R89.1Confident92.8Very high234 Ų23454.6 Ų54.688%0.88325%0.248SC*.  trans-85.2101.8-179.4-172.7179.7-176.4179.90.6110.1
31V91.6Very high93.3Very high1 Ų154.8 Ų54.81%0.00625%0.248CC..  trans-101.5151.8169.8-57.70000111.3H27 G29 V35 R36 R82H27-V31 HydrophobicContact CB-CB 4.35Å; H27-V31 HydrophobicContact CB-CG1 3.7Å; H27-V31 HydrophobicContact CB-CG2 3.75Å; H27-V31 WeakPolarHBondContact ND1-CG2 3.28Å; G29-V31 PolarHBondContact O-N 3.16Å; V31-V35 HydrophobicContact CB-CB 4.05Å; V31-V35 HydrophobicContact CB-CG1 3.99Å; V31-V35 HydrophobicContact CG1-CG1 4.22Å; V31-V35 HydrophobicContact CG2-CB 4.43Å; V31-V35 HydrophobicContact CG2-CG1 4.34Å; V31-R36 HydrophobicContact CG2-CG 3.71Å; V31-R36 PolarHBondContact O-NH2 2.87Å; V31-R82 HydrophobicContact CG1-CB 4.28Å
32G91.9Very high93.7Very high21 Ų2154 Ų5422%0.21624%0.243CC..  trans-71.6171.6176.900000113.3L34 V35 R36G32-L34 VanDerWaalsContact C-N 3.34Å; G32-L34 PolarHBondContact O-N 3.36Å; G32-V35 PolarHBondContact O-N 3.39Å; G32-R36 PolarHBondContact O-N 2.85Å
33R94.1Very high93.8Very high202 Ų20253.6 Ų53.676%0.76224%0.24SC*.Hα-helixtrans-59.2-43.4179.2-179.9179.7176.5-1241.5112.2V35 R36 Q37R33-V35 PolarHBondContact O-N 3.29Å; R33-R36 WeakPolarHBondContact O-CB 3.42Å; R33-R36 PolarHBondContact O-N 2.89Å; R33-R36 VanDerWaalsContact O-N 3.14Å; R33-Q37 PolarHBondContact O-N 2.84Å
34L95.4Very high93.8Very high88 Ų8857 Ų5746%0.46126%0.257SS..Hα-helixtrans-60.7-46-178.4-58.6176.9000111.6G32 R36 Q37 L38 Y107 L109G32-L34 VanDerWaalsContact C-N 3.34Å; G32-L34 PolarHBondContact O-N 3.36Å; L34-R36 VanDerWaalsContact C-N 3.28Å; L34-R36 PolarHBondContact O-N 3.01Å; L34-Q37 CarbonylContact O-C 3.53Å; L34-Q37 WeakPolarHBondContact O-CA 3.14Å; L34-Q37 WeakPolarHBondContact O-CB 3.2Å; L34-Q37 PolarHBondContact O-N 3.13Å; L34-L38 PolarHBondContact O-N 2.77Å; L34-Y107 HydrophobicContact CB-CE2 4.09Å; L34-Y107 VanDerWaalsContact CB-OH 3.29Å; L34-Y107 WeakPolarHBondContact CB-OH 3.21Å; L34-L109 HydrophobicContact CD2-CD1 3.91Å
35V95.2Very high93.8Very high4 Ų456.6 Ų56.62%0.02426%0.255CS..Hα-helixtrans-62.6-34.4176.5-178.20000111.9V31 G32 R33 L38 I39 F80 V87V31-V35 HydrophobicContact CB-CB 4.05Å; V31-V35 HydrophobicContact CB-CG1 3.99Å; V31-V35 HydrophobicContact CG1-CG1 4.22Å; V31-V35 HydrophobicContact CG2-CB 4.43Å; V31-V35 HydrophobicContact CG2-CG1 4.34Å; G32-V35 PolarHBondContact O-N 3.39Å; R33-V35 PolarHBondContact O-N 3.29Å; V35-L38 PolarHBondContact O-N 3.31Å; V35-I39 HydrophobicContact CG1-CD1 4.21Å; V35-I39 WeakPolarHBondContact O-CD1 3.33Å; V35-I39 VanDerWaalsContact O-CG1 3.25Å; V35-I39 WeakPolarHBondContact O-CG1 3.44Å; V35-I39 PolarHBondContact O-N 3.5Å; V35-F80 HydrophobicContact CG1-CB 3.97Å; V35-F80 HydrophobicContact CG1-CD1 4.36Å; V35-F80 HydrophobicContact CG1-CG 4.34Å; V35-V87 HydrophobicContact CG1-CG1 4.37Å; V35-V87 HydrophobicContact CG2-CG1 4.24Å; V35-V87 HydrophobicContact CG2-CG2 3.78Å
36R94.6Very high93.6Very high118 Ų11856.8 Ų56.845%0.44526%0.256SS..Hα-helixtrans-69.6-31.8173.8-61.8-175-153.5125.47.8112.9V31 G32 R33 L34 R40V31-R36 HydrophobicContact CG2-CG 3.71Å; V31-R36 PolarHBondContact O-NH2 2.87Å; G32-R36 PolarHBondContact O-N 2.85Å; R33-R36 WeakPolarHBondContact O-CB 3.42Å; R33-R36 PolarHBondContact O-N 2.89Å; R33-R36 VanDerWaalsContact O-N 3.14Å; L34-R36 VanDerWaalsContact C-N 3.28Å; L34-R36 PolarHBondContact O-N 3.01Å; R36-R40 PolarHBondContact O-N 2.7Å; R36-R40 PolarHBondContact O-NE 3.18Å
37Q95.1Very high93.5Very high47 Ų4757.6 Ų57.622%0.2226%0.262CS..Hα-helixtrans-68.9-46.6170.5-177.868.453.500109.9R33 L34 I39 R40 D41 L109R33-Q37 PolarHBondContact O-N 2.84Å; L34-Q37 CarbonylContact O-C 3.53Å; L34-Q37 WeakPolarHBondContact O-CA 3.14Å; L34-Q37 WeakPolarHBondContact O-CB 3.2Å; L34-Q37 PolarHBondContact O-N 3.13Å; Q37-I39 VanDerWaalsContact C-N 3.26Å; Q37-I39 PolarHBondContact O-N 3.26Å; Q37-R40 WeakPolarHBondContact O-CA 3.44Å; Q37-R40 WeakPolarHBondContact O-CB 3.32Å; Q37-R40 PolarHBondContact O-N 3.39Å; Q37-D41 PolarHBondContact NE2-OD1 2.64Å; Q37-D41 PolarHBondContact O-N 3.37Å; Q37-L109 HydrophobicContact CB-CD1 4.18Å; Q37-L109 HydrophobicContact CB-CD2 4.03Å; Q37-L109 HydrophobicContact CG-CD1 3.93Å; Q37-L109 HydrophobicContact CG-CD2 3.98Å; Q37-L109 HydrophobicContact CG-CG 4.38Å
38L96.4Very high93.3Very high0 Ų058.3 Ų58.30%027%0.27CS..Hα-helixtrans-55.7-40.4176.5179.363.5000112.3L34 V35 R40 D41 M42 F80 Y107 L109 P268 L270L34-L38 PolarHBondContact O-N 2.77Å; V35-L38 PolarHBondContact O-N 3.31Å; L38-R40 VanDerWaalsContact C-N 3.32Å; L38-R40 PolarHBondContact O-N 2.81Å; L38-D41 PolarHBondContact O-N 3.29Å; L38-M42 HydrophobicContact CD1-CG 4.36Å; L38-M42 HydrophobicContact CG-CG 4.47Å; L38-M42 WeakPolarHBondContact O-CB 3.08Å; L38-M42 VanDerWaalsContact O-CG 3.31Å; L38-M42 WeakPolarHBondContact O-CG 3.46Å; L38-M42 PolarHBondContact O-N 3.48Å; L38-F80 HydrophobicContact CD2-CD1 4.45Å; L38-F80 HydrophobicContact CD2-CE1 3.79Å; L38-F80 HydrophobicContact CD2-CZ 4.24Å; L38-F80 HydrophobicContact CG-CE1 4.45Å; L38-F80 HydrophobicContact CG-CZ 4.43Å; L38-Y107 HydrophobicContact CD2-CD2 3.99Å; L38-Y107 HydrophobicContact CD2-CG 4.09Å; L38-L109 HydrophobicContact CB-CD2 3.84Å; L38-P268 HydrophobicContact CD1-CB 3.67Å; L38-P268 HydrophobicContact CD1-CG 3.94Å; L38-L270 HydrophobicContact CD1-CD2 3.95Å; L38-L270 HydrophobicContact CD2-CD2 3.8Å; L38-L270 HydrophobicContact CG-CD2 4.44Å
39I95.7Very high93.2Very high7 Ų753.1 Ų53.14%0.03625%0.251CS..Hα-helixtrans-61.9-40.3174.5-72.3160.4000111.6I25 H27 V35 Q37 R43 F80I25-I39 HydrophobicContact CG2-CG2 4.19Å; H27-I39 HydrophobicContact CB-CD1 3.57Å; V35-I39 HydrophobicContact CG1-CD1 4.21Å; V35-I39 WeakPolarHBondContact O-CD1 3.33Å; V35-I39 VanDerWaalsContact O-CG1 3.25Å; V35-I39 WeakPolarHBondContact O-CG1 3.44Å; V35-I39 PolarHBondContact O-N 3.5Å; Q37-I39 VanDerWaalsContact C-N 3.26Å; Q37-I39 PolarHBondContact O-N 3.26Å; I39-R43 VanDerWaalsContact O-CG 3.23Å; I39-R43 WeakPolarHBondContact O-CG 3.43Å; I39-R43 PolarHBondContact O-N 3.45Å; I39-F80 HydrophobicContact CD1-CB 4.04Å; I39-F80 HydrophobicContact CD1-CD2 4.13Å; I39-F80 HydrophobicContact CD1-CG 4.31Å; I39-F80 HydrophobicContact CG1-CB 4.29Å; I39-F80 HydrophobicContact CG1-CD2 3.48Å; I39-F80 VanDerWaalsContact CG1-CD2 3.48Å; I39-F80 HydrophobicContact CG1-CE2 4Å; I39-F80 HydrophobicContact CG1-CG 4.01Å
40R94.3Very high93.2Very high124 Ų12450.6 Ų50.647%0.46822%0.224SC..Hα-helixtrans-65.1-43.2175.3-74.6-177.5-78.7144.5-5.6110.8R36 Q37 L38 R43 M44R36-R40 PolarHBondContact O-N 2.7Å; R36-R40 PolarHBondContact O-NE 3.18Å; Q37-R40 WeakPolarHBondContact O-CA 3.44Å; Q37-R40 WeakPolarHBondContact O-CB 3.32Å; Q37-R40 PolarHBondContact O-N 3.39Å; L38-R40 VanDerWaalsContact C-N 3.32Å; L38-R40 PolarHBondContact O-N 2.81Å; R40-R43 WeakPolarHBondContact O-CB 3.49Å; R40-R43 PolarHBondContact O-N 2.96Å; R40-M44 WeakPolarHBondContact O-CG 3.09Å; R40-M44 PolarHBondContact O-N 2.96Å; R40-M44 VanDerWaalsContact O-N 3.09Å
41D95Very high93.1Very high14 Ų1441 Ų418%0.07520%0.195CC..Hα-helixtrans-62.4-45.3178-58.7-8.9000110.4Q37 L38 R43 M44 V45 A110 P268Q37-D41 PolarHBondContact NE2-OD1 2.64Å; Q37-D41 PolarHBondContact O-N 3.37Å; L38-D41 PolarHBondContact O-N 3.29Å; D41-R43 VanDerWaalsContact C-N 3.33Å; D41-R43 PolarHBondContact O-N 2.9Å; D41-M44 WeakPolarHBondContact O-CA 3.33Å; D41-M44 WeakPolarHBondContact O-CB 3.49Å; D41-M44 PolarHBondContact O-N 3.5Å; D41-V45 WeakPolarHBondContact O-CG2 3.29Å; D41-V45 PolarHBondContact O-N 2.92Å; D41-A110 HydrophobicContact CB-CB 4.03Å; D41-A110 PolarHBondContact OD2-N 2.86Å; D41-P268 HydrophobicContact CB-CB 4.26Å; D41-P268 HydrophobicContact CB-CG 4.02Å
42M95Very high92.7Very high4 Ų445 Ų452%0.0222%0.221CC..Hα-helixtrans-61.3-37.7175-74.4-65.9-77.200112.9I25 L38 M44 V45 F46 L78 F80 F186 P268 L270I25-M42 HydrophobicContact CD1-CB 4.07Å; I25-M42 WeakPolarHBondContact CD1-O 3.42Å; I25-M42 HydrophobicContact CG2-CB 4.17Å; L38-M42 HydrophobicContact CD1-CG 4.36Å; L38-M42 HydrophobicContact CG-CG 4.47Å; L38-M42 WeakPolarHBondContact O-CB 3.08Å; L38-M42 VanDerWaalsContact O-CG 3.31Å; L38-M42 WeakPolarHBondContact O-CG 3.46Å; L38-M42 PolarHBondContact O-N 3.48Å; M42-M44 VanDerWaalsContact C-N 3.27Å; M42-M44 PolarHBondContact O-N 3.21Å; M42-V45 WeakPolarHBondContact O-CB 3.48Å; M42-V45 PolarHBondContact O-N 3.2Å; M42-F46 HydrophobicContact CE-CD2 4.48Å; M42-F46 HydrophobicContact CE-CE2 3.72Å; M42-F46 WeakPolarHBondContact O-CD2 3.38Å; M42-F46 PolarHBondContact O-N 2.92Å; M42-L78 HydrophobicContact CE-CD2 4.06Å; M42-F80 HydrophobicContact CG-CE2 4.36Å; M42-F80 HydrophobicContact CG-CZ 4.12Å; M42-F186 HydrophobicContact CE-CZ 4.33Å; M42-F186 HydrophobicContact SD-CE1 4.08Å; M42-F186 HydrophobicContact SD-CZ 4.23Å; M42-P268 HydrophobicContact CG-CG 4.3Å; M42-P268 HydrophobicContact SD-CG 3.92Å; M42-L270 HydrophobicContact CE-CD1 4.04Å; M42-L270 HydrophobicContact SD-CD1 3.74Å
43R94.9Very high92.4Very high22 Ų2253.1 Ų53.18%0.08325%0.25CC..Hα-helixtrans-63-35.2173-71.7171.4-179.8-167.7-0.3112.2I25 I39 R40 D41 S47 T50 P52 L54I25-R43 HydrophobicContact CB-CG 3.91Å; I25-R43 HydrophobicContact CD1-CG 4.33Å; I25-R43 HydrophobicContact CG1-CG 4.43Å; I25-R43 VanDerWaalsContact O-CZ 3.28Å; I25-R43 PolarHBondContact O-NE 3.41Å; I25-R43 PolarHBondContact O-NH2 3.15Å; I39-R43 VanDerWaalsContact O-CG 3.23Å; I39-R43 WeakPolarHBondContact O-CG 3.43Å; I39-R43 PolarHBondContact O-N 3.45Å; R40-R43 WeakPolarHBondContact O-CB 3.49Å; R40-R43 PolarHBondContact O-N 2.96Å; D41-R43 VanDerWaalsContact C-N 3.33Å; D41-R43 PolarHBondContact O-N 2.9Å; R43-S47 PolarHBondContact O-N 3.42Å; R43-T50 HydrophobicContact CB-CG2 3.97Å; R43-T50 HydrophobicContact CG-CG2 3.71Å; R43-P52 PolarHBondContact NH1-O 3.44Å; R43-L54 VanDerWaalsContact CZ-O 3.24Å; R43-L54 PolarHBondContact NH1-O 2.81Å; R43-L54 PolarHBondContact NH2-O 2.98Å
44M92.5Very high92.1Very high74 Ų7445.3 Ų45.337%0.36522%0.223SC..Hα-helixtrans-67.8-38.3174.4-63.7-56.4-59.800111.2R40 D41 M42 F46 S47 F127R40-M44 WeakPolarHBondContact O-CG 3.09Å; R40-M44 PolarHBondContact O-N 2.96Å; R40-M44 VanDerWaalsContact O-N 3.09Å; D41-M44 WeakPolarHBondContact O-CA 3.33Å; D41-M44 WeakPolarHBondContact O-CB 3.49Å; D41-M44 PolarHBondContact O-N 3.5Å; M42-M44 VanDerWaalsContact C-N 3.27Å; M42-M44 PolarHBondContact O-N 3.21Å; M44-F46 PolarHBondContact O-N 2.83Å; M44-S47 VanDerWaalsContact O-CB 3.28Å; M44-S47 WeakPolarHBondContact O-CB 3.49Å; M44-S47 PolarHBondContact O-N 2.62Å; M44-F127 HydrophobicContact CB-CD1 4.16Å; M44-F127 HydrophobicContact CB-CE1 3.81Å; M44-F127 HydrophobicContact CB-CZ 4.32Å; M44-F127 HydrophobicContact CE-CB 3.96Å; M44-F127 HydrophobicContact CE-CD1 3.76Å; M44-F127 HydrophobicContact CE-CD2 3.43Å; M44-F127 VanDerWaalsContact CE-CD2 3.43Å; M44-F127 HydrophobicContact CE-CE1 4.02Å; M44-F127 HydrophobicContact CE-CE2 3.73Å; M44-F127 HydrophobicContact CE-CG 3.43Å; M44-F127 VanDerWaalsContact CE-CG 3.43Å; M44-F127 HydrophobicContact CE-CZ 4Å; M44-F127 WeakPolarHBondContact O-CD1 3.34Å
45V93.9Very high91.6Very high1 Ų149 Ų491%0.00624%0.238CC..Hα-helixtrans-58.8-49.9176.9-177.90000111.5D41 M42 S47 P131 R171 V173 F186 H188 P268D41-V45 WeakPolarHBondContact O-CG2 3.29Å; D41-V45 PolarHBondContact O-N 2.92Å; M42-V45 WeakPolarHBondContact O-CB 3.48Å; M42-V45 PolarHBondContact O-N 3.2Å; V45-S47 VanDerWaalsContact C-N 3.28Å; V45-S47 PolarHBondContact O-N 3.39Å; V45-P131 WeakPolarHBondContact O-CD 3.49Å; V45-P131 WeakPolarHBondContact O-CG 3.41Å; V45-R171 PolarHBondContact O-NH1 3.43Å; V45-R171 PolarHBondContact O-NH2 2.85Å; V45-V173 HydrophobicContact CG1-CG2 3.38Å; V45-F186 HydrophobicContact CG1-CE1 4.36Å; V45-F186 HydrophobicContact CG1-CZ 3.89Å; V45-F186 HydrophobicContact CG2-CE1 4.46Å; V45-H188 HydrophobicContact CG2-CB 4.36Å; V45-P268 HydrophobicContact CG2-CG 4.41Å
46F93.1Very high91.2Very high4 Ų450.8 Ų50.82%0.01825%0.249CC..THydrogen-bonded Turntrans-88.514-177.9-65.9-78.5000114.1I25 M42 M44 F49 T50 L78 M155 L156 F186I25-F46 HydrophobicContact CD1-CB 4.36Å; I25-F46 HydrophobicContact CD1-CD2 3.74Å; I25-F46 HydrophobicContact CD1-CG 4.43Å; M42-F46 HydrophobicContact CE-CD2 4.48Å; M42-F46 HydrophobicContact CE-CE2 3.72Å; M42-F46 WeakPolarHBondContact O-CD2 3.38Å; M42-F46 PolarHBondContact O-N 2.92Å; M44-F46 PolarHBondContact O-N 2.83Å; F46-F49 PolarHBondContact O-N 2.75Å; F46-F49 VanDerWaalsContact O-N 3.14Å; F46-T50 WeakPolarHBondContact CB-OG1 3.42Å; F46-T50 PolarHBondContact O-N 2.78Å; F46-T50 PolarHBondContact O-OG1 3.25Å; F46-L78 HydrophobicContact CE2-CD2 4.1Å; F46-M155 HydrophobicContact CE1-CE 3.7Å; F46-M155 HydrophobicContact CZ-CE 3.62Å; F46-L156 HydrophobicContact CD1-CD2 3.95Å; F46-L156 HydrophobicContact CD1-CG 4.33Å; F46-L156 HydrophobicContact CE1-CD1 4.42Å; F46-L156 HydrophobicContact CE1-CD2 4.42Å; F46-L156 HydrophobicContact CE1-CG 4.34Å; F46-F186 HydrophobicContact CE2-CZ 4.34Å; F46-F186 HydrophobicContact CZ-CE2 4.24Å; F46-F186 HydrophobicContact CZ-CZ 4.34Å
47S91.3Very high90.8Very high22 Ų2254.3 Ų54.315%0.15426%0.262CS..  trans-64.5141.5169.3-173.40000110R43 M44 V45 F127 R171R43-S47 PolarHBondContact O-N 3.42Å; M44-S47 VanDerWaalsContact O-CB 3.28Å; M44-S47 WeakPolarHBondContact O-CB 3.49Å; M44-S47 PolarHBondContact O-N 2.62Å; V45-S47 VanDerWaalsContact C-N 3.28Å; V45-S47 PolarHBondContact O-N 3.39Å; S47-F127 WeakPolarHBondContact CB-O 3.22Å; S47-F127 PolarHBondContact OG-O 3.04Å; S47-R171 PolarHBondContact O-NH2 3.45Å
48P89.8Confident90.1Very high54 Ų5462.2 Ų62.235%0.35130%0.296SS..SBendcis-88-9.66.336.3-38.3000115.1T50 V128P48-T50 PolarHBondContact O-N 2.82Å; P48-V128 WeakPolarHBondContact CD-O 3.47Å; P48-V128 WeakPolarHBondContact CG-O 3.27Å
49F90.2Very high89.5Confident15 Ų1569.5 Ų69.57%0.06634%0.335CS..SBendtrans-77.418.1-172.7-56.9-64.6000114.7L17 A20 P21 H22 S23 F46 P130 P157L17-F49 HydrophobicContact CD2-CE1 3.82Å; L17-F49 HydrophobicContact CD2-CZ 4.28Å; A20-F49 HydrophobicContact CB-CD1 3.73Å; A20-F49 HydrophobicContact CB-CE1 3.29Å; A20-F49 HydrophobicContact CB-CZ 3.83Å; P21-F49 WeakPolarHBondContact O-CB 3.41Å; H22-F49 CarbonylContact C-O 3.6Å; H22-F49 WeakPolarHBondContact CA-O 3.49Å; H22-F49 AromaticContact NE2-CD1 3.97Å; S23-F49 PolarHBondContact N-O 3.34Å; F46-F49 PolarHBondContact O-N 2.75Å; F46-F49 VanDerWaalsContact O-N 3.14Å; F49-P130 HydrophobicContact CD2-CB 4.04Å; F49-P130 HydrophobicContact CE2-CB 3.65Å; F49-P130 HydrophobicContact CE2-CG 3.82Å; F49-P157 HydrophobicContact CD2-CG 4.32Å; F49-P157 HydrophobicContact CE2-CB 4.48Å; F49-P157 HydrophobicContact CE2-CG 3.56Å; F49-P157 HydrophobicContact CZ-CG 4.08Å
50T89.2Confident89.1Confident6 Ų671.6 Ų71.64%0.03735%0.346CS..BIsolated β-bridgetrans-129.9137.8177.7-66.40000109.7S23 I25 R43 F46 P48 P52S23-T50 WeakPolarHBondContact O-CA 3.48Å; I25-T50 HydrophobicContact CB-CG2 4.48Å; I25-T50 HydrophobicContact CD1-CG2 3.95Å; I25-T50 HydrophobicContact CG1-CG2 3.85Å; R43-T50 HydrophobicContact CB-CG2 3.97Å; R43-T50 HydrophobicContact CG-CG2 3.71Å; F46-T50 WeakPolarHBondContact CB-OG1 3.42Å; F46-T50 PolarHBondContact O-N 2.78Å; F46-T50 PolarHBondContact O-OG1 3.25Å; P48-T50 PolarHBondContact O-N 2.82Å; T50-P52 WeakPolarHBondContact O-CD 3.3Å
51A85.9Confident88.8Confident34 Ų3467.5 Ų67.528%0.28134%0.337SS..  trans-70.9106.4179.100000111.8F24 K53 L54F24-A51 HydrophobicContact CD1-CB 4.16Å; F24-A51 HydrophobicContact CE1-CB 3.94Å; A51-K53 PolarHBondContact O-N 3.01Å; A51-L54 HydrophobicContact CB-CB 3.94Å
52P83.5Confident88.5Confident85 Ų8568.3 Ų68.355%0.55234%0.341SS*.THydrogen-bonded Turntrans-69.9-36.1-174.527.5-33000111.8R43 T50R43-P52 PolarHBondContact NH1-O 3.44Å; T50-P52 WeakPolarHBondContact O-CD 3.3Å
53K85.4Confident88.2Confident190 Ų19076.4 Ų76.483%0.82638%0.376SS*.THydrogen-bonded Turntrans-92.68.1-174.8-61.6-177-176177.90114.2A51 Q55A51-K53 PolarHBondContact O-N 3.01Å; K53-Q55 PolarHBondContact O-N 2.98Å; K53-Q55 VanDerWaalsContact O-N 3.12Å
54L87.3Confident88Confident39 Ų3978.9 Ų78.920%0.20439%0.391CS..PPolyproline II helixtrans-61.4116-179.7-179.568.6000110.6F24 R43 A51F24-L54 HydrophobicContact CB-CD2 4.04Å; F24-L54 HydrophobicContact CD1-CD2 4.04Å; F24-L54 HydrophobicContact CD2-CD2 4.27Å; F24-L54 HydrophobicContact CG-CD2 3.88Å; R43-L54 VanDerWaalsContact CZ-O 3.24Å; R43-L54 PolarHBondContact NH1-O 2.81Å; R43-L54 PolarHBondContact NH2-O 2.98Å; A51-L54 HydrophobicContact CB-CB 3.94Å
55Q84.7Confident87.9Confident166 Ų16676 Ų7678%0.77638%0.376SS*.PPolyproline II helixtrans-102.7128.2178.8-68.1-174.1-7.700110.8K53K53-Q55 PolarHBondContact O-N 2.98Å; K53-Q55 VanDerWaalsContact O-N 3.12Å
56V86.7Confident87.8Confident40 Ų4078 Ų7824%0.24239%0.388CS..PPolyproline II helixtrans-102.4125.5178.3176.70000110.2F26 F65F26-V56 HydrophobicContact CB-CG2 3.46Å; F26-V56 VanDerWaalsContact CB-CG2 3.46Å; F26-V56 HydrophobicContact CD2-CG2 4.3Å; F26-V56 HydrophobicContact CG-CG2 4.12Å; V56-F65 HydrophobicContact CB-CZ 4.31Å; V56-F65 HydrophobicContact CG1-CE2 4.48Å; V56-F65 HydrophobicContact CG1-CZ 3.97Å; V56-F65 HydrophobicContact CG2-CE1 4.02Å; V56-F65 HydrophobicContact CG2-CZ 3.63Å
57R86.6Confident87.6Confident193 Ų19381.1 Ų81.173%0.72842%0.415SS*.PPolyproline II helixtrans-94.3154.4171.9-57.3-179.4175.7-169.3-2109.8N59 N60R57-N59 PolarHBondContact O-N 3.11Å; R57-N60 WeakPolarHBondContact CB-OD1 3Å; R57-N60 PolarHBondContact O-N 3.25Å
58K80.5Confident87.5Confident212 Ų21282.9 Ų82.992%0.92243%0.425SS*.THydrogen-bonded Turntrans-60.2-29.5-179.6-66.6180-178.4175.20113.2
59N84.6Confident87.4Confident153 Ų15380.6 Ų80.682%0.81841%0.41SS*.THydrogen-bonded Turntrans-87.6-6.1-175.5-59.92.9000113.1R57 S61R57-N59 PolarHBondContact O-N 3.11Å; N59-S61 PolarHBondContact O-N 3.27Å
60N87.5Confident87.3Confident51 Ų5182.6 Ų82.627%0.27344%0.435SS..  trans-69.1126.6-178-71.516.4000110.3R57 F65R57-N60 WeakPolarHBondContact CB-OD1 3Å; R57-N60 PolarHBondContact O-N 3.25Å; N60-F65 HydrophobicContact CB-CE2 3.73Å; N60-F65 HydrophobicContact CB-CZ 4.07Å
61S87.8Confident87.2Confident39 Ų3988.6 Ų88.627%0.27347%0.465SS..  trans-82.5158.2174.397.50000110.2N59 K63 D64 F65N59-S61 PolarHBondContact O-N 3.27Å; S61-K63 PolarHBondContact O-N 3.08Å; S61-K63 WeakPolarHBondContact OG-CB 3.44Å; S61-K63 PolarHBondContact OG-N 3.42Å; S61-D64 PolarHBondContact N-OD2 3.07Å; S61-D64 WeakPolarHBondContact O-CB 3.42Å; S61-D64 PolarHBondContact O-N 3.13Å; S61-D64 PolarHBondContact OG-N 3.3Å; S61-D64 PolarHBondContact OG-OD1 3.39Å; S61-D64 PolarHBondContact OG-OD2 3.43Å; S61-F65 VanDerWaalsContact O-CD2 3.27Å; S61-F65 WeakPolarHBondContact O-CD2 3.3Å
62L88.6Confident87.3Confident31 Ų3192.9 Ų92.916%0.16248%0.478CS..Hα-helixtrans-66.3-27.8174-172.261000111.3F26 D64 F65 V66 F77 I79 F281F26-L62 HydrophobicContact CE2-CD1 4.43Å; F26-L62 HydrophobicContact CZ-CD1 4.06Å; L62-D64 VanDerWaalsContact C-N 3.27Å; L62-D64 PolarHBondContact O-N 3.25Å; L62-F65 PolarHBondContact O-N 3.12Å; L62-V66 WeakPolarHBondContact O-CG2 3.26Å; L62-V66 PolarHBondContact O-N 3.23Å; L62-V66 VanDerWaalsContact O-N 3.13Å; L62-F77 HydrophobicContact CD1-CD2 4.33Å; L62-F77 HydrophobicContact CD1-CE2 4.46Å; L62-I79 HydrophobicContact CD1-CD1 3.7Å; L62-F281 HydrophobicContact CD1-CE1 4.29Å; L62-F281 HydrophobicContact CD1-CZ 3.98Å; L62-F281 HydrophobicContact CD2-CD1 4.24Å; L62-F281 HydrophobicContact CD2-CE1 3.31Å; L62-F281 HydrophobicContact CD2-CZ 3.74Å; L62-F281 HydrophobicContact CG-CE1 3.55Å; L62-F281 HydrophobicContact CG-CZ 3.76Å
63K88.4Confident87.5Confident174 Ų17492.8 Ų92.876%0.75747%0.472SS*.Hα-helixtrans-64.6-34.4175.9-58.6-175.2175.5-172.50111.5S61 F65 V66 A67S61-K63 PolarHBondContact O-N 3.08Å; S61-K63 WeakPolarHBondContact OG-CB 3.44Å; S61-K63 PolarHBondContact OG-N 3.42Å; K63-F65 VanDerWaalsContact C-N 3.34Å; K63-F65 PolarHBondContact O-N 3.41Å; K63-V66 PolarHBondContact O-N 2.85Å; K63-A67 PolarHBondContact O-N 3.07Å
64D89.6Confident87.8Confident74 Ų7484.1 Ų84.140%0.39644%0.436SS..Hα-helixtrans-64.7-42.2178.5-48.3-10.1000110S61 L62 A67 V68S61-D64 PolarHBondContact N-OD2 3.07Å; S61-D64 WeakPolarHBondContact O-CB 3.42Å; S61-D64 PolarHBondContact O-N 3.13Å; S61-D64 PolarHBondContact OG-N 3.3Å; S61-D64 PolarHBondContact OG-OD1 3.39Å; S61-D64 PolarHBondContact OG-OD2 3.43Å; L62-D64 VanDerWaalsContact C-N 3.27Å; L62-D64 PolarHBondContact O-N 3.25Å; D64-A67 PolarHBondContact O-N 2.82Å; D64-V68 VanDerWaalsContact O-CG2 3.3Å; D64-V68 WeakPolarHBondContact O-CG2 3.26Å; D64-V68 PolarHBondContact O-N 3.34Å
65F90.8Very high88.1Confident13 Ų1384 Ų846%0.05744%0.436CS..Hα-helixtrans-65.3-40.1175.4-69.9-76.5000112.3F26 V56 N60 S61 L62 K63 A67 V68 S69 F77F26-F65 HydrophobicContact CD2-CE2 4.23Å; F26-F65 HydrophobicContact CD2-CZ 4.2Å; F26-F65 HydrophobicContact CE1-CD1 4.28Å; F26-F65 HydrophobicContact CE1-CG 4.35Å; F26-F65 AromaticContact CE2-CD2 3.95Å; F26-F65 HydrophobicContact CE2-CD2 3.95Å; F26-F65 AromaticContact CE2-CE2 3.93Å; F26-F65 HydrophobicContact CE2-CE2 3.93Å; F26-F65 HydrophobicContact CE2-CG 4.32Å; F26-F65 HydrophobicContact CE2-CZ 4.29Å; F26-F65 HydrophobicContact CZ-CB 4.35Å; F26-F65 HydrophobicContact CZ-CD1 4.3Å; F26-F65 HydrophobicContact CZ-CD2 4.01Å; F26-F65 HydrophobicContact CZ-CE2 4.4Å; F26-F65 AromaticContact CZ-CG 3.96Å; F26-F65 HydrophobicContact CZ-CG 3.96Å; V56-F65 HydrophobicContact CB-CZ 4.31Å; V56-F65 HydrophobicContact CG1-CE2 4.48Å; V56-F65 HydrophobicContact CG1-CZ 3.97Å; V56-F65 HydrophobicContact CG2-CE1 4.02Å; V56-F65 HydrophobicContact CG2-CZ 3.63Å; N60-F65 HydrophobicContact CB-CE2 3.73Å; N60-F65 HydrophobicContact CB-CZ 4.07Å; S61-F65 VanDerWaalsContact O-CD2 3.27Å; S61-F65 WeakPolarHBondContact O-CD2 3.3Å; L62-F65 PolarHBondContact O-N 3.12Å; K63-F65 VanDerWaalsContact C-N 3.34Å; K63-F65 PolarHBondContact O-N 3.41Å; F65-A67 VanDerWaalsContact C-N 3.34Å; F65-V68 PolarHBondContact O-N 3.09Å; F65-S69 WeakPolarHBondContact O-CB 3.34Å; F65-S69 PolarHBondContact O-N 3.09Å; F65-S69 PolarHBondContact O-OG 2.92Å; F65-F77 HydrophobicContact CB-CE2 4Å; F65-F77 HydrophobicContact CB-CZ 3.96Å
66V91.3Very high88.6Confident42 Ų4276.4 Ų76.426%0.25540%0.401SS..Hα-helixtrans-65.8-36.2176.61770000111.9L62 K63 S69 F77 P95 F281L62-V66 WeakPolarHBondContact O-CG2 3.26Å; L62-V66 PolarHBondContact O-N 3.23Å; L62-V66 VanDerWaalsContact O-N 3.13Å; K63-V66 PolarHBondContact O-N 2.85Å; V66-S69 VanDerWaalsContact C-OG 3.24Å; V66-S69 VanDerWaalsContact CA-OG 3.22Å; V66-S69 WeakPolarHBondContact CA-OG 3.3Å; V66-S69 PolarHBondContact O-OG 3.31Å; V66-F77 HydrophobicContact CG2-CE2 3.88Å; V66-P95 HydrophobicContact CG1-CB 4.35Å; V66-F281 HydrophobicContact CG2-CD1 4.46Å; V66-F281 HydrophobicContact CG2-CE1 3.57Å; V66-F281 HydrophobicContact CG2-CE2 4.13Å; V66-F281 HydrophobicContact CG2-CZ 3.38Å
67A89.2Confident89Confident71 Ų7174.5 Ų74.559%0.58739%0.389SS*.Hα-helixtrans-65.6-41.9174.500000111.4K63 D64 F65K63-A67 PolarHBondContact O-N 3.07Å; D64-A67 PolarHBondContact O-N 2.82Å; F65-A67 VanDerWaalsContact C-N 3.34Å
68V89.5Confident89.4Confident59 Ų5965.4 Ų65.436%0.35836%0.355SS..Hα-helixtrans-72.5-33179.2173.70000112.3F24 D64 F65 G70 I71 F72F24-V68 HydrophobicContact CE2-CG1 4.21Å; F24-V68 HydrophobicContact CZ-CG1 4.41Å; D64-V68 VanDerWaalsContact O-CG2 3.3Å; D64-V68 WeakPolarHBondContact O-CG2 3.26Å; D64-V68 PolarHBondContact O-N 3.34Å; F65-V68 PolarHBondContact O-N 3.09Å; V68-G70 PolarHBondContact O-N 3.45Å; V68-I71 PolarHBondContact O-N 3.02Å; V68-I71 VanDerWaalsContact O-N 3.07Å; V68-F72 HydrophobicContact CG1-CD2 3.5Å; V68-F72 HydrophobicContact CG1-CE2 3.56Å; V68-F72 WeakPolarHBondContact O-CD2 3.41Å; V68-F72 PolarHBondContact O-N 2.82Å
69S89Confident90.2Very high5 Ų555.4 Ų55.44%0.03531%0.312CS..Hα-helixtrans-61-29.8-179.146.80000113.8F65 V66 I71 F72 N73 V74 V94F65-S69 WeakPolarHBondContact O-CB 3.34Å; F65-S69 PolarHBondContact O-N 3.09Å; F65-S69 PolarHBondContact O-OG 2.92Å; V66-S69 VanDerWaalsContact C-OG 3.24Å; V66-S69 VanDerWaalsContact CA-OG 3.22Å; V66-S69 WeakPolarHBondContact CA-OG 3.3Å; V66-S69 PolarHBondContact O-OG 3.31Å; S69-I71 VanDerWaalsContact C-N 3.26Å; S69-I71 PolarHBondContact O-N 3.43Å; S69-F72 PolarHBondContact O-N 3.34Å; S69-N73 PolarHBondContact O-N 3.04Å; S69-N73 VanDerWaalsContact O-N 3.08Å; S69-V74 PolarHBondContact O-N 3.24Å; S69-V94 WeakPolarHBondContact OG-CG1 3.44Å
70G86.7Confident90.7Very high57 Ų5748.1 Ų48.159%0.58827%0.273SS*.THydrogen-bonded Turntrans-65-29.2176.600000113.2V68V68-G70 PolarHBondContact O-N 3.45Å
71I88.2Confident91.1Very high133 Ų13347.2 Ų47.268%0.68227%0.269SS*.THydrogen-bonded Turntrans-79.9-36.6179.9-56.4172.2000110.9V68 S69V68-I71 PolarHBondContact O-N 3.02Å; V68-I71 VanDerWaalsContact O-N 3.07Å; S69-I71 VanDerWaalsContact C-N 3.26Å; S69-I71 PolarHBondContact O-N 3.43Å
72F87.7Confident91.4Very high124 Ų12452.4 Ų52.454%0.54428%0.283SS..THydrogen-bonded Turntrans-98.714.6-176.8-66.1-73.3000113.6F24 V68 S69 V74F24-F72 HydrophobicContact CZ-CB 4.19Å; F24-F72 HydrophobicContact CZ-CD2 4.11Å; F24-F72 HydrophobicContact CZ-CG 4.37Å; V68-F72 HydrophobicContact CG1-CD2 3.5Å; V68-F72 HydrophobicContact CG1-CE2 3.56Å; V68-F72 WeakPolarHBondContact O-CD2 3.41Å; V68-F72 PolarHBondContact O-N 2.82Å; S69-F72 PolarHBondContact O-N 3.34Å; F72-V74 HydrophobicContact CB-CG2 3.9Å; F72-V74 PolarHBondContact O-N 3.02Å; F72-V74 VanDerWaalsContact O-N 3.11Å
73N87.7Confident91.6Very high82 Ų8254.1 Ų54.144%0.43930%0.295SS..THydrogen-bonded Turntrans4740.8-177.8-65.9-16.9000113.9K18 S69 T75K18-N73 PolarHBondContact O-ND2 3.09Å; K18-N73 VanDerWaalsContact O-ND2 3.12Å; S69-N73 PolarHBondContact O-N 3.04Å; S69-N73 VanDerWaalsContact O-N 3.08Å; N73-T75 PolarHBondContact O-N 3.47Å
74V91.9Very high91.6Very high9 Ų955.2 Ų55.26%0.05530%0.302CS..EExtended strand (participates in β ladder)trans-79.2124.2-178.5-178.90000110H22 F24 S69 F72 H76 F77H22-V74 HydrophobicContact CB-CG2 4.13Å; H22-V74 WeakPolarHBondContact O-CG1 3.27Å; F24-V74 HydrophobicContact CB-CG1 4.26Å; F24-V74 HydrophobicContact CD1-CG1 4.27Å; F24-V74 HydrophobicContact CD1-CG2 3.76Å; F24-V74 HydrophobicContact CD2-CB 4.48Å; F24-V74 HydrophobicContact CD2-CG1 4.17Å; F24-V74 HydrophobicContact CD2-CG2 4.05Å; F24-V74 HydrophobicContact CE1-CG2 3.48Å; F24-V74 VanDerWaalsContact CE1-CG2 3.48Å; F24-V74 HydrophobicContact CE2-CG2 3.78Å; F24-V74 HydrophobicContact CG-CG1 3.95Å; F24-V74 HydrophobicContact CG-CG2 4.05Å; F24-V74 HydrophobicContact CZ-CG2 3.5Å; F24-V74 VanDerWaalsContact CZ-CG2 3.5Å; S69-V74 PolarHBondContact O-N 3.24Å; F72-V74 HydrophobicContact CB-CG2 3.9Å; F72-V74 PolarHBondContact O-N 3.02Å; F72-V74 VanDerWaalsContact O-N 3.11Å; V74-H76 WeakPolarHBondContact CG1-O 3.36Å; V74-F77 HydrophobicContact CB-CE1 4.32Å; V74-F77 HydrophobicContact CG1-CD1 3.83Å; V74-F77 HydrophobicContact CG1-CE1 3.59Å
75T92.8Very high91.5Very high36 Ų3660 Ų6022%0.22132%0.322CS..EExtended strand (participates in β ladder)trans-96.4-33.3-176.957.50000112P21 H22 N73 H93 V94P21-T75 WeakPolarHBondContact CA-OG1 3.5Å; P21-T75 HydrophobicContact CB-CG2 4.08Å; P21-T75 VanDerWaalsContact CB-OG1 3.32Å; P21-T75 WeakPolarHBondContact CB-OG1 3.5Å; H22-T75 PolarHBondContact O-N 2.89Å; H22-T75 PolarHBondContact O-OG1 3.4Å; N73-T75 PolarHBondContact O-N 3.47Å; T75-H93 CarbonylContact O-C 3.48Å; T75-H93 WeakPolarHBondContact O-CA 3.33Å; T75-H93 PolarHBondContact O-CD2 2.99Å; T75-V94 PolarHBondContact O-N 3.47Å
76H95Very high91.5Very high7 Ų760.5 Ų60.53%0.03233%0.327CS..EExtended strand (participates in β ladder)trans-132.5140.2-174-63.782.2000112.6H22 S23 F24 V74 L78 M92 H93 G154 M155H22-H76 PolarHBondContact O-N 3.47Å; S23-H76 CarbonylContact C-O 3.6Å; S23-H76 VanDerWaalsContact CA-O 3.25Å; S23-H76 WeakPolarHBondContact CA-O 3.38Å; F24-H76 PolarHBondContact N-O 2.92Å; V74-H76 WeakPolarHBondContact CG1-O 3.36Å; H76-L78 HydrophobicContact CB-CD1 4.46Å; H76-M92 CarbonylContact C-O 3.48Å; H76-M92 VanDerWaalsContact CA-O 3.29Å; H76-M92 WeakPolarHBondContact CA-O 3.26Å; H76-H93 AromaticContact CE1-CD2 3.8Å; H76-H93 AromaticContact NE2-CD2 3.64Å; H76-G154 PolarHBondContact CE1-O 2.98Å; H76-M155 HydrophobicContact CB-CG 4.05Å
77F95.4Very high91.8Very high0 Ų059.3 Ų59.30%032%0.32CS..EExtended strand (participates in β ladder)trans-110.5131.4167.4-66-16.9000110.4F24 F26 L62 F65 V66 V74 I79 I91 M92 V94 F281F24-F77 HydrophobicContact CB-CD1 3.72Å; F24-F77 HydrophobicContact CB-CE1 3.97Å; F24-F77 HydrophobicContact CD2-CD1 4.24Å; F24-F77 AromaticContact CD2-CE1 3.59Å; F24-F77 HydrophobicContact CD2-CE1 3.59Å; F24-F77 HydrophobicContact CD2-CZ 4.35Å; F24-F77 HydrophobicContact CE2-CE1 4.49Å; F24-F77 HydrophobicContact CG-CD1 4.37Å; F24-F77 HydrophobicContact CG-CE1 4.12Å; F24-F77 WeakPolarHBondContact O-CA 3.41Å; F26-F77 HydrophobicContact CE1-CB 4.18Å; F26-F77 HydrophobicContact CE1-CD1 4.25Å; F26-F77 HydrophobicContact CE1-CD2 4.31Å; F26-F77 HydrophobicContact CE1-CG 4Å; F26-F77 HydrophobicContact CZ-CD2 4.28Å; F26-F77 HydrophobicContact CZ-CG 4.4Å; L62-F77 HydrophobicContact CD1-CD2 4.33Å; L62-F77 HydrophobicContact CD1-CE2 4.46Å; F65-F77 HydrophobicContact CB-CE2 4Å; F65-F77 HydrophobicContact CB-CZ 3.96Å; V66-F77 HydrophobicContact CG2-CE2 3.88Å; V74-F77 HydrophobicContact CB-CE1 4.32Å; V74-F77 HydrophobicContact CG1-CD1 3.83Å; V74-F77 HydrophobicContact CG1-CE1 3.59Å; F77-I79 HydrophobicContact CB-CD1 4.28Å; F77-I79 HydrophobicContact CB-CG1 4.06Å; F77-I91 CarbonylContact O-C 3.59Å; F77-I91 WeakPolarHBondContact O-CA 3.34Å; F77-M92 HydrophobicContact CB-CB 4.31Å; F77-M92 PolarHBondContact N-O 2.89Å; F77-M92 PolarHBondContact O-N 3.35Å; F77-V94 HydrophobicContact CB-CG2 4.32Å; F77-V94 HydrophobicContact CD1-CG2 3.64Å; F77-V94 HydrophobicContact CD2-CG2 3.59Å; F77-V94 HydrophobicContact CE1-CG2 3.75Å; F77-V94 HydrophobicContact CE2-CG1 4.41Å; F77-V94 HydrophobicContact CE2-CG2 3.7Å; F77-V94 HydrophobicContact CG-CG2 3.56Å; F77-V94 HydrophobicContact CZ-CG1 4.15Å; F77-V94 HydrophobicContact CZ-CG2 3.77Å; F77-F281 AromaticContact CD2-CE2 3.94Å; F77-F281 HydrophobicContact CD2-CE2 3.94Å; F77-F281 AromaticContact CD2-CZ 3.87Å; F77-F281 HydrophobicContact CD2-CZ 3.87Å; F77-F281 HydrophobicContact CE2-CE2 4.19Å; F77-F281 AromaticContact CE2-CZ 3.92Å; F77-F281 HydrophobicContact CE2-CZ 3.92Å
78L96.1Very high92.1Very high2 Ų256.5 Ų56.51%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-110.1107.4168.9-7372.1000107.8F24 I25 F26 M42 F46 H76 L89 R90 I91 M155F24-L78 PolarHBondContact O-N 3.36Å; I25-L78 WeakPolarHBondContact CA-O 3.43Å; I25-L78 HydrophobicContact CB-CB 4.33Å; I25-L78 HydrophobicContact CD1-CD2 4.16Å; I25-L78 HydrophobicContact CG1-CB 4.07Å; I25-L78 HydrophobicContact CG1-CD1 4.44Å; I25-L78 HydrophobicContact CG1-CD2 4.31Å; I25-L78 HydrophobicContact CG2-CB 4.02Å; F26-L78 PolarHBondContact N-O 3.45Å; M42-L78 HydrophobicContact CE-CD2 4.06Å; F46-L78 HydrophobicContact CE2-CD2 4.1Å; H76-L78 HydrophobicContact CB-CD1 4.46Å; L78-L89 HydrophobicContact CB-CD1 4.13Å; L78-R90 CarbonylContact C-O 3.56Å; L78-R90 WeakPolarHBondContact CA-O 3.38Å; L78-I91 HydrophobicContact CG-CG1 4.4Å; L78-M155 HydrophobicContact CD1-SD 3.82Å; L78-M155 HydrophobicContact CG-SD 4.49Å
79I95.5Very high92.5Very high2 Ų253.9 Ų53.91%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-111.6113.4-173.1-49.5-177.5000109.6F26 R28 L62 F77 T81 R90 M92F26-I79 HydrophobicContact CD2-CG2 4.45Å; F26-I79 HydrophobicContact CE1-CD1 4.44Å; F26-I79 HydrophobicContact CE1-CG1 4.09Å; F26-I79 HydrophobicContact CE2-CD1 3.93Å; F26-I79 HydrophobicContact CE2-CG1 3.92Å; F26-I79 HydrophobicContact CE2-CG2 4.18Å; F26-I79 HydrophobicContact CZ-CD1 3.62Å; F26-I79 HydrophobicContact CZ-CG1 3.66Å; F26-I79 CarbonylContact O-C 3.59Å; F26-I79 WeakPolarHBondContact O-CA 3.43Å; R28-I79 HydrophobicContact CB-CG2 3.98Å; L62-I79 HydrophobicContact CD1-CD1 3.7Å; F77-I79 HydrophobicContact CB-CD1 4.28Å; F77-I79 HydrophobicContact CB-CG1 4.06Å; I79-T81 HydrophobicContact CG2-CG2 4.14Å; I79-R90 HydrophobicContact CB-CB 4.4Å; I79-R90 PolarHBondContact N-O 3.42Å; I79-R90 PolarHBondContact O-N 2.97Å; I79-M92 HydrophobicContact CD1-SD 3.59Å; I79-M92 VanDerWaalsContact CD1-SD 3.59Å
80F96.7Very high92.8Very high0 Ų055.9 Ų55.90%029%0.286CS..EExtended strand (participates in β ladder)trans-84.7132.1170.2-72-89.9000110.7I25 F26 H27 R28 V35 L38 I39 M42 V87 N88 L89I25-F80 HydrophobicContact CG2-CD2 4.36Å; I25-F80 HydrophobicContact CG2-CE2 3.98Å; F26-F80 PolarHBondContact O-N 2.85Å; H27-F80 CarbonylContact C-O 3.57Å; H27-F80 WeakPolarHBondContact CA-O 3.13Å; H27-F80 HydrophobicContact CB-CB 4.32Å; H27-F80 WeakPolarHBondContact CB-O 3.32Å; R28-F80 PolarHBondContact N-O 2.98Å; V35-F80 HydrophobicContact CG1-CB 3.97Å; V35-F80 HydrophobicContact CG1-CD1 4.36Å; V35-F80 HydrophobicContact CG1-CG 4.34Å; L38-F80 HydrophobicContact CD2-CD1 4.45Å; L38-F80 HydrophobicContact CD2-CE1 3.79Å; L38-F80 HydrophobicContact CD2-CZ 4.24Å; L38-F80 HydrophobicContact CG-CE1 4.45Å; L38-F80 HydrophobicContact CG-CZ 4.43Å; I39-F80 HydrophobicContact CD1-CB 4.04Å; I39-F80 HydrophobicContact CD1-CD2 4.13Å; I39-F80 HydrophobicContact CD1-CG 4.31Å; I39-F80 HydrophobicContact CG1-CB 4.29Å; I39-F80 HydrophobicContact CG1-CD2 3.48Å; I39-F80 VanDerWaalsContact CG1-CD2 3.48Å; I39-F80 HydrophobicContact CG1-CE2 4Å; I39-F80 HydrophobicContact CG1-CG 4.01Å; M42-F80 HydrophobicContact CG-CE2 4.36Å; M42-F80 HydrophobicContact CG-CZ 4.12Å; F80-V87 HydrophobicContact CD1-CG1 4.13Å; F80-N88 CarbonylContact C-O 3.58Å; F80-N88 WeakPolarHBondContact CA-O 3.25Å; F80-L89 HydrophobicContact CD1-CB 4.46Å; F80-L89 HydrophobicContact CD1-CD1 4.31Å; F80-L89 HydrophobicContact CD2-CD1 4.1Å; F80-L89 HydrophobicContact CE1-CB 4.25Å; F80-L89 HydrophobicContact CE1-CD1 4.04Å; F80-L89 HydrophobicContact CE2-CD1 3.83Å; F80-L89 HydrophobicContact CG-CD1 4.36Å; F80-L89 HydrophobicContact CZ-CD1 3.8Å; F80-L89 HydrophobicContact CZ-CD2 4.4Å
81T94.6Very high93.3Very high31 Ų3153.5 Ų53.519%0.1926%0.26CS..EExtended strand (participates in β ladder)trans-132157.4174.157.60000109.1R28 I79 V87 N88R28-T81 HydrophobicContact CB-CG2 4.03Å; I79-T81 HydrophobicContact CG2-CG2 4.14Å; T81-V87 CarbonylContact O-C 3.59Å; T81-V87 WeakPolarHBondContact O-CA 3.5Å; T81-N88 PolarHBondContact N-O 3.28Å; T81-N88 PolarHBondContact O-N 3.12Å; T81-N88 WeakPolarHBondContact OG1-CB 3.4Å
82R94.4Very high93.6Very high149 Ų14947.1 Ų47.156%0.56223%0.227SC*.EExtended strand (participates in β ladder)trans-125.4121.4177.6176.1175.3179.5-169.63.2107.8V31V31-R82 HydrophobicContact CG1-CB 4.28Å
83T92.3Very high93.9Very high67 Ų6744.4 Ų44.441%0.41122%0.216SC..  trans-90178.5163.259.40000108.7E85 S86T83-E85 VanDerWaalsContact C-N 3.26Å; T83-E85 PolarHBondContact O-N 3.4Å; T83-S86 PolarHBondContact N-O 3.15Å; T83-S86 PolarHBondContact OG1-N 3.06Å; T83-S86 PolarHBondContact OG1-O 3.36Å; T83-S86 VanDerWaalsContact OG1-O 3.07Å
84E89.6Confident94.1Very high197 Ų19741 Ų4192%0.92120%0.198SC*.SBendtrans-62.1-39.6175.7-64.6-178.6174.200110.9
85E87.9Confident93.9Very high174 Ų17444.2 Ų44.281%0.81322%0.219SC*.SBendtrans-83.7-38.2-176.1-62.9174.6-177.500114.5T83T83-E85 VanDerWaalsContact C-N 3.26Å; T83-E85 PolarHBondContact O-N 3.4Å
86S90.9Very high93.7Very high23 Ų2352.3 Ų52.316%0.16125%0.245CC..  trans-155.9166.8-169.158.10000114.4T83 K103T83-S86 PolarHBondContact N-O 3.15Å; T83-S86 PolarHBondContact OG1-N 3.06Å; T83-S86 PolarHBondContact OG1-O 3.36Å; T83-S86 VanDerWaalsContact OG1-O 3.07Å; S86-K103 WeakPolarHBondContact OG-CE 3.47Å
87V96.5Very high93.4Very high18 Ų1852.4 Ų52.411%0.10925%0.249CC..EExtended strand (participates in β ladder)trans-90.6134.3170179.80000107.9V35 F80 T81 V104V35-V87 HydrophobicContact CG1-CG1 4.37Å; V35-V87 HydrophobicContact CG2-CG1 4.24Å; V35-V87 HydrophobicContact CG2-CG2 3.78Å; F80-V87 HydrophobicContact CD1-CG1 4.13Å; T81-V87 CarbonylContact O-C 3.59Å; T81-V87 WeakPolarHBondContact O-CA 3.5Å; V87-V104 HydrophobicContact CB-CB 4.2Å; V87-V104 HydrophobicContact CB-CG2 4.45Å; V87-V104 HydrophobicContact CG1-CB 4.37Å; V87-V104 HydrophobicContact CG1-CG2 4.13Å; V87-V104 VanDerWaalsContact O-CB 3.3Å; V87-V104 WeakPolarHBondContact O-CB 3.5Å; V87-V104 PolarHBondContact O-N 3.09Å
88N96.8Very high93.4Very high12 Ų1254 Ų546%0.06426%0.259CS..EExtended strand (participates in β ladder)trans-117.8141.3178.7-64.3-77.3000109.8F80 T81 F102F80-N88 CarbonylContact C-O 3.58Å; F80-N88 WeakPolarHBondContact CA-O 3.25Å; T81-N88 PolarHBondContact N-O 3.28Å; T81-N88 PolarHBondContact O-N 3.12Å; T81-N88 WeakPolarHBondContact OG1-CB 3.4Å; N88-F102 CarbonylContact C-O 3.52Å; N88-F102 VanDerWaalsContact CA-O 3.3Å; N88-F102 WeakPolarHBondContact CA-O 3.35Å
89L97.2Very high93.4Very high3 Ų354 Ų542%0.01626%0.259CS..EExtended strand (participates in β ladder)trans-113.2127.9174171.561.9000108.6L78 F80 I91 F102 V104 L272L78-L89 HydrophobicContact CB-CD1 4.13Å; F80-L89 HydrophobicContact CD1-CB 4.46Å; F80-L89 HydrophobicContact CD1-CD1 4.31Å; F80-L89 HydrophobicContact CD2-CD1 4.1Å; F80-L89 HydrophobicContact CE1-CB 4.25Å; F80-L89 HydrophobicContact CE1-CD1 4.04Å; F80-L89 HydrophobicContact CE2-CD1 3.83Å; F80-L89 HydrophobicContact CG-CD1 4.36Å; F80-L89 HydrophobicContact CZ-CD1 3.8Å; F80-L89 HydrophobicContact CZ-CD2 4.4Å; L89-I91 HydrophobicContact CD2-CG1 4.45Å; L89-I91 HydrophobicContact CG-CG1 4.27Å; L89-F102 HydrophobicContact CB-CB 4.38Å; L89-F102 PolarHBondContact N-O 3.42Å; L89-F102 PolarHBondContact O-N 3.24Å; L89-V104 HydrophobicContact CB-CG2 3.97Å; L89-L272 HydrophobicContact CD2-CD1 4.03Å; L89-L272 HydrophobicContact CD2-CD2 4.23Å
90R96.1Very high93.4Very high47 Ų4753.9 Ų53.918%0.17726%0.258CS..EExtended strand (participates in β ladder)trans-114.1124.2174-59.6177.269.6-150.9-0.3109.2L78 I79 L100 E278 S282L78-R90 CarbonylContact C-O 3.56Å; L78-R90 WeakPolarHBondContact CA-O 3.38Å; I79-R90 HydrophobicContact CB-CB 4.4Å; I79-R90 PolarHBondContact N-O 3.42Å; I79-R90 PolarHBondContact O-N 2.97Å; R90-L100 CarbonylContact C-O 3.57Å; R90-L100 VanDerWaalsContact CA-O 3.27Å; R90-L100 WeakPolarHBondContact CA-O 3.49Å; R90-E278 IonicContact NH2-OE2 3.2Å; R90-S282 PolarHBondContact NH2-OG 2.88Å
91I96.5Very high93.4Very high7 Ų754 Ų544%0.03626%0.259CS..EExtended strand (participates in β ladder)trans-104.7118.3174-51.6-176.3000107F77 L78 L89 L100 F102 M151 M155F77-I91 CarbonylContact O-C 3.59Å; F77-I91 WeakPolarHBondContact O-CA 3.34Å; L78-I91 HydrophobicContact CG-CG1 4.4Å; L89-I91 HydrophobicContact CD2-CG1 4.45Å; L89-I91 HydrophobicContact CG-CG1 4.27Å; I91-L100 HydrophobicContact CB-CB 4.38Å; I91-L100 PolarHBondContact N-O 3.32Å; I91-L100 PolarHBondContact O-N 2.84Å; I91-F102 HydrophobicContact CD1-CD2 4.35Å; I91-F102 HydrophobicContact CD1-CE2 3.76Å; I91-F102 HydrophobicContact CD1-CZ 4.48Å; I91-F102 HydrophobicContact CG1-CD2 4.3Å; I91-F102 HydrophobicContact CG1-CE2 3.99Å; I91-M151 HydrophobicContact CG2-CE 3.85Å; I91-M151 HydrophobicContact CG2-CG 3.91Å; I91-M155 HydrophobicContact CG2-SD 3.87Å
92M95.2Very high93.5Very high0 Ų052.6 Ų52.60%025%0.251CS..EExtended strand (participates in β ladder)trans-122.9132.2-174.9-52.1-179.874.400109.7H76 F77 I79 T99 M151 F281 S282H76-M92 CarbonylContact C-O 3.48Å; H76-M92 VanDerWaalsContact CA-O 3.29Å; H76-M92 WeakPolarHBondContact CA-O 3.26Å; F77-M92 HydrophobicContact CB-CB 4.31Å; F77-M92 PolarHBondContact N-O 2.89Å; F77-M92 PolarHBondContact O-N 3.35Å; I79-M92 HydrophobicContact CD1-SD 3.59Å; I79-M92 VanDerWaalsContact CD1-SD 3.59Å; M92-T99 HydrophobicContact CE-CG2 4.17Å; M92-T99 WeakPolarHBondContact CE-OG1 3.44Å; M92-T99 HydrophobicContact CG-CG2 3.78Å; M92-M151 VanDerWaalsContact C-CE 3.46Å; M92-F281 HydrophobicContact CB-CD2 4.32Å; M92-F281 HydrophobicContact CB-CE2 4.06Å; M92-F281 HydrophobicContact CE-CB 4.35Å; M92-F281 HydrophobicContact CE-CD1 3.83Å; M92-F281 HydrophobicContact CE-CD2 3.38Å; M92-F281 HydrophobicContact CE-CE1 3.9Å; M92-F281 HydrophobicContact CE-CE2 3.41Å; M92-F281 VanDerWaalsContact CE-CE2 3.41Å; M92-F281 HydrophobicContact CE-CG 3.58Å; M92-F281 HydrophobicContact CE-CZ 3.68Å; M92-F281 HydrophobicContact SD-CD2 4.45Å; M92-F281 HydrophobicContact SD-CE2 3.94Å; M92-F281 HydrophobicContact SD-CZ 4.1Å; M92-S282 WeakPolarHBondContact CE-OG 3.42Å
93H94.1Very high93.6Very high67 Ų6748.7 Ų48.731%0.3124%0.238SC..EExtended strand (participates in β ladder)trans-88.2127.9171.4176.6-107000108.4T75 H76 G97 P98 M151T75-H93 CarbonylContact O-C 3.48Å; T75-H93 WeakPolarHBondContact O-CA 3.33Å; T75-H93 PolarHBondContact O-CD2 2.99Å; H76-H93 AromaticContact CE1-CD2 3.8Å; H76-H93 AromaticContact NE2-CD2 3.64Å; H93-G97 WeakPolarHBondContact CB-O 3.48Å; H93-G97 PolarHBondContact ND1-O 2.89Å; H93-G97 WeakPolarHBondContact O-CA 3.41Å; H93-G97 PolarHBondContact O-N 3.32Å; H93-P98 PolarHBondContact N-O 3.45Å; H93-M151 HydrophobicContact CB-CE 3.54Å; H93-M151 HydrophobicContact CB-SD 3.92Å
94V91.8Very high93.9Very high10 Ų1045.9 Ų45.96%0.06122%0.221CC..THydrogen-bonded Turntrans-103138.4-169.4-177.90000109S69 T75 F77 F281S69-V94 WeakPolarHBondContact OG-CG1 3.44Å; T75-V94 PolarHBondContact O-N 3.47Å; F77-V94 HydrophobicContact CB-CG2 4.32Å; F77-V94 HydrophobicContact CD1-CG2 3.64Å; F77-V94 HydrophobicContact CD2-CG2 3.59Å; F77-V94 HydrophobicContact CE1-CG2 3.75Å; F77-V94 HydrophobicContact CE2-CG1 4.41Å; F77-V94 HydrophobicContact CE2-CG2 3.7Å; F77-V94 HydrophobicContact CG-CG2 3.56Å; F77-V94 HydrophobicContact CZ-CG1 4.15Å; F77-V94 HydrophobicContact CZ-CG2 3.77Å; V94-F281 HydrophobicContact CG2-CE2 4.15Å
95P86.8Confident94.2Very high76 Ų7639.7 Ų39.749%0.49419%0.193SC..THydrogen-bonded Turncis-92.4-8.7-2.834.7-33.4000113.7V66V66-P95 HydrophobicContact CG1-CB 4.35Å
96R88Confident94.6Very high206 Ų20637.9 Ų37.978%0.77719%0.185SC*.THydrogen-bonded Turntrans-92.3-16-164.8-67.4-172.217586.3-1115.1G280R96-G280 CarbonylContact O-C 3.54Å; R96-G280 WeakPolarHBondContact O-CA 3Å
97G89.1Confident94.9Very high10 Ų1040.6 Ų40.610%0.10319%0.192CC..  trans92.9-179-165.400000112.5H93 G280H93-G97 WeakPolarHBondContact CB-O 3.48Å; H93-G97 PolarHBondContact ND1-O 2.89Å; H93-G97 WeakPolarHBondContact O-CA 3.41Å; H93-G97 PolarHBondContact O-N 3.32Å; G97-G280 VanDerWaalsContact CA-O 3.28Å; G97-G280 WeakPolarHBondContact CA-O 3.45Å
98P95Very high94.9Very high34 Ų3441.5 Ų41.522%0.22120%0.199CC..  cis-77174.810.631.9-36.6000114.2H93 L147 M151 G280H93-P98 PolarHBondContact N-O 3.45Å; P98-L147 HydrophobicContact CG-CD1 4.35Å; P98-M151 HydrophobicContact CG-SD 4.35Å; P98-M151 WeakPolarHBondContact O-CE 3.25Å; P98-G280 CarbonylContact C-O 3.55Å
99T95.6Very high94.9Very high0 Ų041.5 Ų41.50%020%0.199CC..EExtended strand (participates in β ladder)trans-120.2117.8175-59.40000110.9M92 E278 G280 S282M92-T99 HydrophobicContact CE-CG2 4.17Å; M92-T99 WeakPolarHBondContact CE-OG1 3.44Å; M92-T99 HydrophobicContact CG-CG2 3.78Å; T99-E278 PolarHBondContact N-O 2.76Å; T99-E278 PolarHBondContact O-N 3.39Å; T99-G280 PolarHBondContact N-O 2.85Å; T99-G280 PolarHBondContact OG1-O 3.22Å; T99-S282 PolarHBondContact OG1-N 3.29Å
100L96.7Very high94.7Very high0 Ų042.3 Ų42.30%021%0.206CC..EExtended strand (participates in β ladder)trans-98.7130.1174.2-51.5-178.3000109.4R90 I91 F102 L147 V148 M151 L274 V277R90-L100 CarbonylContact C-O 3.57Å; R90-L100 VanDerWaalsContact CA-O 3.27Å; R90-L100 WeakPolarHBondContact CA-O 3.49Å; I91-L100 HydrophobicContact CB-CB 4.38Å; I91-L100 PolarHBondContact N-O 3.32Å; I91-L100 PolarHBondContact O-N 2.84Å; L100-F102 HydrophobicContact CB-CD2 4.3Å; L100-F102 HydrophobicContact CB-CE2 3.53Å; L100-F102 HydrophobicContact CB-CZ 4.16Å; L100-F102 HydrophobicContact CD1-CE2 4.22Å; L100-F102 HydrophobicContact CD1-CZ 4.24Å; L100-L147 HydrophobicContact CD2-CD2 3.86Å; L100-L147 HydrophobicContact CD2-CG 4.18Å; L100-V148 HydrophobicContact CD1-CG2 4.07Å; L100-M151 HydrophobicContact CD1-CB 3.63Å; L100-M151 HydrophobicContact CD1-CG 3.65Å; L100-M151 HydrophobicContact CG-CG 4.37Å; L100-L274 HydrophobicContact CB-CD1 4.22Å; L100-V277 HydrophobicContact CD2-CB 4.34Å; L100-V277 HydrophobicContact CD2-CG1 3.91Å; L100-V277 HydrophobicContact CD2-CG2 3.8Å
101S96.3Very high94.5Very high3 Ų342.8 Ų42.82%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-117.9121.3178.1-53.50000110.6Y275 K276S101-Y275 VanDerWaalsContact CB-CZ 3.47Å; S101-Y275 WeakPolarHBondContact CB-OH 3.38Å; S101-Y275 VanDerWaalsContact O-CD1 3.26Å; S101-Y275 WeakPolarHBondContact O-CD1 3.45Å; S101-Y275 WeakPolarHBondContact O-CE1 3.45Å; S101-Y275 PolarHBondContact O-N 2.91Å; S101-Y275 VanDerWaalsContact O-N 3.12Å; S101-K276 PolarHBondContact N-O 3.34Å; S101-K276 PolarHBondContact O-N 3.44Å
102F97.1Very high94.5Very high2 Ų246.3 Ų46.31%0.00924%0.239CC..EExtended strand (participates in β ladder)trans-115.4141.9-178.4-60.7-95.2000110.9N88 L89 I91 L100 V148 F184 L272 Q273 L274 Y275N88-F102 CarbonylContact C-O 3.52Å; N88-F102 VanDerWaalsContact CA-O 3.3Å; N88-F102 WeakPolarHBondContact CA-O 3.35Å; L89-F102 HydrophobicContact CB-CB 4.38Å; L89-F102 PolarHBondContact N-O 3.42Å; L89-F102 PolarHBondContact O-N 3.24Å; I91-F102 HydrophobicContact CD1-CD2 4.35Å; I91-F102 HydrophobicContact CD1-CE2 3.76Å; I91-F102 HydrophobicContact CD1-CZ 4.48Å; I91-F102 HydrophobicContact CG1-CD2 4.3Å; I91-F102 HydrophobicContact CG1-CE2 3.99Å; L100-F102 HydrophobicContact CB-CD2 4.3Å; L100-F102 HydrophobicContact CB-CE2 3.53Å; L100-F102 HydrophobicContact CB-CZ 4.16Å; L100-F102 HydrophobicContact CD1-CE2 4.22Å; L100-F102 HydrophobicContact CD1-CZ 4.24Å; F102-V148 HydrophobicContact CE1-CG1 4.32Å; F102-V148 HydrophobicContact CE1-CG2 4.13Å; F102-V148 HydrophobicContact CZ-CG1 3.95Å; F102-V148 HydrophobicContact CZ-CG2 3.8Å; F102-F184 HydrophobicContact CE1-CD2 4.1Å; F102-F184 HydrophobicContact CE1-CE2 4.25Å; F102-L272 HydrophobicContact CB-CB 4.39Å; F102-L272 HydrophobicContact CD1-CB 4.07Å; F102-Q273 CarbonylContact C-O 3.53Å; F102-Q273 WeakPolarHBondContact CA-O 3.43Å; F102-L274 HydrophobicContact CD1-CB 3.93Å; F102-L274 HydrophobicContact CD1-CD1 4.04Å; F102-L274 HydrophobicContact CD2-CD1 4.45Å; F102-L274 HydrophobicContact CE1-CB 3.8Å; F102-L274 HydrophobicContact CE1-CD1 3.71Å; F102-L274 HydrophobicContact CE1-CG 4.34Å; F102-L274 HydrophobicContact CE2-CD1 4.15Å; F102-L274 HydrophobicContact CG-CD1 4.41Å; F102-L274 HydrophobicContact CZ-CD1 3.78Å; F102-Y275 VanDerWaalsContact C-CE1 3.43Å
103K96.6Very high94.3Very high67 Ų6746.4 Ų46.429%0.29124%0.239SC..EExtended strand (participates in β ladder)trans-87.9127.1164.3-170.6174.4-179.1176.30107.4S86 L105 L272 Q273 Y275S86-K103 WeakPolarHBondContact OG-CE 3.47Å; K103-L105 HydrophobicContact CD-CD2 3.99Å; K103-L105 HydrophobicContact CG-CD2 4.1Å; K103-L105 PolarHBondContact O-N 3.29Å; K103-L272 WeakPolarHBondContact O-CA 3.39Å; K103-Q273 PolarHBondContact N-O 3.02Å; K103-Q273 PolarHBondContact O-N 3.1Å; K103-Y275 HydrophobicContact CB-CD1 4.09Å; K103-Y275 HydrophobicContact CB-CE1 4.45Å
104V97.3Very high94.2Very high8 Ų845.9 Ų45.95%0.04824%0.241CC..EExtended strand (participates in β ladder)trans-85.1101.7173-173.70000106.6V87 L89 Y107 L270 L272V87-V104 HydrophobicContact CB-CB 4.2Å; V87-V104 HydrophobicContact CB-CG2 4.45Å; V87-V104 HydrophobicContact CG1-CB 4.37Å; V87-V104 HydrophobicContact CG1-CG2 4.13Å; V87-V104 VanDerWaalsContact O-CB 3.3Å; V87-V104 WeakPolarHBondContact O-CB 3.5Å; V87-V104 PolarHBondContact O-N 3.09Å; L89-V104 HydrophobicContact CB-CG2 3.97Å; V104-Y107 HydrophobicContact CG1-CD1 4.25Å; V104-L270 HydrophobicContact CG1-CD2 4.02Å; V104-L272 HydrophobicContact CB-CD2 4.23Å; V104-L272 HydrophobicContact CG1-CD2 4.22Å; V104-L272 HydrophobicContact CG2-CD2 3.73Å
105L96.3Very high94.2Very high67 Ų6749.8 Ų49.835%0.35127%0.268SS..EExtended strand (participates in β ladder)trans-72-48.3-179.7-62.6-177.7000110.5K103 C183 K271 Q273K103-L105 HydrophobicContact CD-CD2 3.99Å; K103-L105 HydrophobicContact CG-CD2 4.1Å; K103-L105 PolarHBondContact O-N 3.29Å; L105-C183 VanDerWaalsContact CD1-SG 3.51Å; L105-K271 HydrophobicContact CB-CB 4.44Å; L105-K271 HydrophobicContact CB-CG 4.4Å; L105-K271 HydrophobicContact CD1-CD 4.45Å; L105-K271 HydrophobicContact CD1-CG 4.32Å; L105-K271 PolarHBondContact N-O 2.96Å; L105-Q273 HydrophobicContact CD1-CB 4.03Å; L105-Q273 HydrophobicContact CD2-CB 4.47Å; L105-Q273 HydrophobicContact CG-CB 4.14Å
106Q96.4Very high94.4Very high136 Ų13650 Ų5064%0.63628%0.277SS*.EExtended strand (participates in β ladder)trans-140.9147.6-179.3-63.3179.3-15.100109.9L270 K271Q106-L270 WeakPolarHBondContact O-CA 3.36Å; Q106-K271 HydrophobicContact CB-CB 4.13Å; Q106-K271 PolarHBondContact N-O 3.18Å; Q106-K271 PolarHBondContact O-N 3.29Å
107Y96.7Very high94.3Very high80 Ų8043 Ų4331%0.31426%0.255SS..EExtended strand (participates in β ladder)trans-146.8150.1172.870.5-85.5000111.3L34 L38 V104 L109 R269 L270L34-Y107 HydrophobicContact CB-CE2 4.09Å; L34-Y107 VanDerWaalsContact CB-OH 3.29Å; L34-Y107 WeakPolarHBondContact CB-OH 3.21Å; L38-Y107 HydrophobicContact CD2-CD2 3.99Å; L38-Y107 HydrophobicContact CD2-CG 4.09Å; V104-Y107 HydrophobicContact CG1-CD1 4.25Å; Y107-L109 HydrophobicContact CD2-CD2 4.35Å; Y107-L109 HydrophobicContact CE2-CD2 4.26Å; Y107-R269 CarbonylContact C-O 3.6Å; Y107-R269 VanDerWaalsContact CA-O 3.24Å; Y107-R269 WeakPolarHBondContact CA-O 3.28Å; Y107-L270 VanDerWaalsContact CB-CD2 3.46Å
108C96.6Very high93.9Very high36 Ų3652.9 Ų52.924%0.24330%0.295CS..EExtended strand (participates in β ladder)trans-131.5135.9173-169.60000109.1V113 P268 R269C108-V113 HydrophobicContact CB-CG2 4.24Å; C108-P268 WeakPolarHBondContact O-CA 3.24Å; C108-P268 WeakPolarHBondContact O-CB 3.45Å; C108-R269 HydrophobicContact CB-CB 3.96Å; C108-R269 HydrophobicContact CB-CG 4.32Å; C108-R269 PolarHBondContact N-O 2.96Å; C108-R269 PolarHBondContact O-N 3.48Å; C108-R269 VanDerWaalsContact O-N 3.07Å
109L96.9Very high92.9Very high13 Ų1357.2 Ų57.27%0.06831%0.31CS..  trans-75.3152.2-178.7-57174.1000110.5L34 Q37 L38 Y107 A111 D112 V113L34-L109 HydrophobicContact CD2-CD1 3.91Å; Q37-L109 HydrophobicContact CB-CD1 4.18Å; Q37-L109 HydrophobicContact CB-CD2 4.03Å; Q37-L109 HydrophobicContact CG-CD1 3.93Å; Q37-L109 HydrophobicContact CG-CD2 3.98Å; Q37-L109 HydrophobicContact CG-CG 4.38Å; L38-L109 HydrophobicContact CB-CD2 3.84Å; Y107-L109 HydrophobicContact CD2-CD2 4.35Å; Y107-L109 HydrophobicContact CE2-CD2 4.26Å; L109-A111 PolarHBondContact O-N 2.82Å; L109-D112 WeakPolarHBondContact CB-OD2 3.36Å; L109-D112 PolarHBondContact O-N 3.4Å; L109-D112 VanDerWaalsContact O-N 3.11Å; L109-V113 WeakPolarHBondContact O-CG2 3.43Å; L109-V113 PolarHBondContact O-N 2.87Å; L109-V113 VanDerWaalsContact O-N 3.07Å
110A93.5Very high92Very high19 Ų1960.2 Ų60.216%0.15733%0.331CS..Hα-helixtrans-60-36178.700000111.8D41 D112 V113 V114D41-A110 HydrophobicContact CB-CB 4.03Å; D41-A110 PolarHBondContact OD2-N 2.86Å; A110-D112 VanDerWaalsContact C-N 3.35Å; A110-D112 PolarHBondContact O-N 2.95Å; A110-V113 PolarHBondContact O-N 3.29Å; A110-V114 WeakPolarHBondContact O-CB 3.41Å; A110-V114 VanDerWaalsContact O-CG2 3.25Å; A110-V114 WeakPolarHBondContact O-CG2 3.45Å; A110-V114 PolarHBondContact O-N 2.88Å
111A92.9Very high90.7Very high58 Ų5862.9 Ų62.948%0.47935%0.345SS..Hα-helixtrans-62.8-39.5176.600000112.8L109 V114 S115L109-A111 PolarHBondContact O-N 2.82Å; A111-V114 PolarHBondContact O-N 3.46Å; A111-S115 WeakPolarHBondContact O-CB 3.3Å; A111-S115 PolarHBondContact O-N 2.87Å; A111-S115 PolarHBondContact O-OG 3.11Å
112D94.9Very high89.2Confident80 Ų8068.4 Ų68.443%0.42838%0.383SS..Hα-helixtrans-74-36.1-179.4-57.5-31.5000111.2L109 A110 S115 A116L109-D112 WeakPolarHBondContact CB-OD2 3.36Å; L109-D112 PolarHBondContact O-N 3.4Å; L109-D112 VanDerWaalsContact O-N 3.11Å; A110-D112 VanDerWaalsContact C-N 3.35Å; A110-D112 PolarHBondContact O-N 2.95Å; D112-S115 WeakPolarHBondContact CA-OG 3.49Å; D112-S115 PolarHBondContact O-OG 2.93Å; D112-A116 WeakPolarHBondContact O-CB 3Å; D112-A116 PolarHBondContact O-N 3.24Å; D112-A116 VanDerWaalsContact O-N 3.16Å
113V92.9Very high87.7Confident2 Ų271.1 Ų71.11%0.01240%0.402CS..Hα-helixtrans-63.2-48.1172.3175.60000110.1C108 L109 A110 S115 A116 L117 E265 R269C108-V113 HydrophobicContact CB-CG2 4.24Å; L109-V113 WeakPolarHBondContact O-CG2 3.43Å; L109-V113 PolarHBondContact O-N 2.87Å; L109-V113 VanDerWaalsContact O-N 3.07Å; A110-V113 PolarHBondContact O-N 3.29Å; V113-S115 VanDerWaalsContact C-N 3.34Å; V113-S115 PolarHBondContact O-N 2.92Å; V113-A116 PolarHBondContact O-N 3.19Å; V113-L117 HydrophobicContact CG1-CD1 3.96Å; V113-L117 WeakPolarHBondContact O-CD1 3.49Å; V113-L117 VanDerWaalsContact O-CG 3.24Å; V113-L117 WeakPolarHBondContact O-CG 3.37Å; V113-L117 PolarHBondContact O-N 3.01Å; V113-E265 HydrophobicContact CG1-CB 4.29Å; V113-E265 HydrophobicContact CG1-CG 3.8Å; V113-R269 HydrophobicContact CG2-CG 4.03Å
114V90.9Very high86.6Confident56 Ų5672.5 Ų72.534%0.33942%0.42SS..Hα-helixtrans-64.5-37.2-179.31670000112.1A110 A111 L117A110-V114 WeakPolarHBondContact O-CB 3.41Å; A110-V114 VanDerWaalsContact O-CG2 3.25Å; A110-V114 WeakPolarHBondContact O-CG2 3.45Å; A110-V114 PolarHBondContact O-N 2.88Å; A111-V114 PolarHBondContact O-N 3.46Å; V114-L117 PolarHBondContact O-N 2.84Å
115S91.6Very high85.7Confident92 Ų9279.1 Ų79.164%0.64345%0.448SS*.Hα-helixtrans-71.3-30.7178.665.70000113.1A111 D112 V113 L117A111-S115 WeakPolarHBondContact O-CB 3.3Å; A111-S115 PolarHBondContact O-N 2.87Å; A111-S115 PolarHBondContact O-OG 3.11Å; D112-S115 WeakPolarHBondContact CA-OG 3.49Å; D112-S115 PolarHBondContact O-OG 2.93Å; V113-S115 VanDerWaalsContact C-N 3.34Å; V113-S115 PolarHBondContact O-N 2.92Å; S115-L117 VanDerWaalsContact C-N 3.32Å
116A91.3Very high84.9Confident82 Ų8276.6 Ų76.668%0.67844%0.435SS*.Hα-helixtrans-74.6-21.1175.300000113.3D112 V113D112-A116 WeakPolarHBondContact O-CB 3Å; D112-A116 PolarHBondContact O-N 3.24Å; D112-A116 VanDerWaalsContact O-N 3.16Å; V113-A116 PolarHBondContact O-N 3.19Å
117L86.9Confident84.4Confident58 Ų5872 Ų7230%0.30441%0.413SS..  trans-86.7133.4-177.2-69.4166.6000112.1V113 V114 S115 K119 E265V113-L117 HydrophobicContact CG1-CD1 3.96Å; V113-L117 WeakPolarHBondContact O-CD1 3.49Å; V113-L117 VanDerWaalsContact O-CG 3.24Å; V113-L117 WeakPolarHBondContact O-CG 3.37Å; V113-L117 PolarHBondContact O-N 3.01Å; V114-L117 PolarHBondContact O-N 2.84Å; S115-L117 VanDerWaalsContact C-N 3.32Å; L117-K119 VanDerWaalsContact C-N 3.28Å; L117-K119 PolarHBondContact O-N 3.02Å; L117-E265 HydrophobicContact CD1-CB 4.08Å; L117-E265 WeakPolarHBondContact CD1-O 3.42Å
118K79Confident84Confident217 Ų21772.9 Ų72.994%0.94343%0.426SS*.SBendtrans-64-30175.5-64.9-176.6-179.7179.80113.5
119K74.9Confident83.7Confident125 Ų12572.4 Ų72.454%0.54342%0.421SS..SBendtrans-132118.4179.6-72.2173.5179.5156.70108.5L117 E233L117-K119 VanDerWaalsContact C-N 3.28Å; L117-K119 PolarHBondContact O-N 3.02Å; K119-E233 IonicContact NZ-OE1 2.66Å; K119-E233 PolarHBondContact NZ-OE1 3.11Å
120S76.3Confident83.4Confident63 Ų6373.7 Ų73.744%0.44143%0.43SS..  trans-113153.6176.965.20000111.9
121L69.6Low83.4Confident56 Ų5673.2 Ų73.229%0.29343%0.426SS..  trans-90.8107172.8-71.4176.8000109.6C123 I264L121-C123 VanDerWaalsContact C-N 3.33Å; L121-I264 HydrophobicContact CD1-CB 3.81Å; L121-I264 HydrophobicContact CD1-CD1 3.98Å; L121-I264 HydrophobicContact CD1-CG1 4.43Å; L121-I264 HydrophobicContact CD1-CG2 4.21Å; L121-I264 HydrophobicContact CD2-CD1 3.65Å; L121-I264 HydrophobicContact CG-CB 4.01Å; L121-I264 HydrophobicContact CG-CD1 3.69Å; L121-I264 HydrophobicContact CG-CG1 4.45Å; L121-I264 HydrophobicContact CG-CG2 3.93Å
122S64.2Low83.4Confident119 Ų11972.6 Ų72.683%0.83241%0.414SS*.  trans-88.58.5177.857.50000114.3S124S122-S124 PolarHBondContact O-N 3.33Å; S122-S124 VanDerWaalsContact O-N 3.17Å
123C66.8Low83.4Confident60 Ų6070.2 Ų70.241%0.40540%0.401SS..  trans-77.8106.2-173.6-1670000111.7L121 K125 Q126L121-C123 VanDerWaalsContact C-N 3.33Å; C123-K125 PolarHBondContact O-N 3.34Å; C123-Q126 WeakPolarHBondContact O-CG 3.38Å; C123-Q126 PolarHBondContact O-N 3.2Å; C123-Q126 PolarHBondContact O-NE2 3.22Å
124S72Confident83.4Confident95 Ų9573.8 Ų73.866%0.66442%0.42SS*.G310 helixtrans-63.4-24.9175.855.90000114S122 Q126 F127S122-S124 PolarHBondContact O-N 3.33Å; S122-S124 VanDerWaalsContact O-N 3.17Å; S124-Q126 PolarHBondContact O-N 3.21Å; S124-Q126 VanDerWaalsContact O-N 3.13Å; S124-F127 PolarHBondContact O-N 2.9Å
125K79.1Confident83.6Confident147 Ų14773.1 Ų73.164%0.63941%0.412SS*.G310 helixtrans-66.9-12-177.1-60.1-176.3179.6-178.50114.1C123 F127 V128C123-K125 PolarHBondContact O-N 3.34Å; K125-F127 VanDerWaalsContact C-N 3.31Å; K125-F127 PolarHBondContact O-N 2.82Å; K125-V128 WeakPolarHBondContact O-CG2 3.13Å
126Q79.1Confident83.7Confident14 Ų1470.4 Ų70.47%0.06539%0.393CS..G310 helixtrans-72-21.3-179.667.5-168.3-41.800114.4C123 S124 V128 R171 M266C123-Q126 WeakPolarHBondContact O-CG 3.38Å; C123-Q126 PolarHBondContact O-N 3.2Å; C123-Q126 PolarHBondContact O-NE2 3.22Å; S124-Q126 PolarHBondContact O-N 3.21Å; S124-Q126 VanDerWaalsContact O-N 3.13Å; Q126-V128 VanDerWaalsContact C-N 3.29Å; Q126-R171 HydrophobicContact CB-CG 4.27Å; Q126-R171 PolarHBondContact O-NE 3.37Å; Q126-M266 HydrophobicContact CG-CE 4Å; Q126-M266 VanDerWaalsContact NE2-CE 3.3Å; Q126-M266 PolarHBondContact OE1-SD 3.24Å
127F86.6Confident83.7Confident40 Ų4073.2 Ų73.218%0.17539%0.392CS..G310 helixtrans-86-1.9-178.5-61.4-72.2000113.7M44 S47 S124 K125 N129 M266M44-F127 HydrophobicContact CB-CD1 4.16Å; M44-F127 HydrophobicContact CB-CE1 3.81Å; M44-F127 HydrophobicContact CB-CZ 4.32Å; M44-F127 HydrophobicContact CE-CB 3.96Å; M44-F127 HydrophobicContact CE-CD1 3.76Å; M44-F127 HydrophobicContact CE-CD2 3.43Å; M44-F127 VanDerWaalsContact CE-CD2 3.43Å; M44-F127 HydrophobicContact CE-CE1 4.02Å; M44-F127 HydrophobicContact CE-CE2 3.73Å; M44-F127 HydrophobicContact CE-CG 3.43Å; M44-F127 VanDerWaalsContact CE-CG 3.43Å; M44-F127 HydrophobicContact CE-CZ 4Å; M44-F127 WeakPolarHBondContact O-CD1 3.34Å; S47-F127 WeakPolarHBondContact CB-O 3.22Å; S47-F127 PolarHBondContact OG-O 3.04Å; S124-F127 PolarHBondContact O-N 2.9Å; K125-F127 VanDerWaalsContact C-N 3.31Å; K125-F127 PolarHBondContact O-N 2.82Å; F127-N129 VanDerWaalsContact C-N 3.29Å; F127-M266 HydrophobicContact CE1-CE 3.66Å; F127-M266 HydrophobicContact CE2-CE 4.17Å; F127-M266 HydrophobicContact CZ-CE 3.33Å
128V88.3Confident83.9Confident99 Ų9971.9 Ų71.960%0.639%0.385SS*.G310 helixtrans-68.3-35173.3178.90000110.4P48 K125 Q126P48-V128 WeakPolarHBondContact CD-O 3.47Å; P48-V128 WeakPolarHBondContact CG-O 3.27Å; K125-V128 WeakPolarHBondContact O-CG2 3.13Å; Q126-V128 VanDerWaalsContact C-N 3.29Å
129N89.4Confident84.4Confident26 Ų2663 Ų6314%0.13935%0.347CS..SBendtrans-102.3145.7-177.4-61.963.6000110.3F127 D168 R171F127-N129 VanDerWaalsContact C-N 3.29Å; N129-D168 WeakPolarHBondContact CB-O 3.23Å; N129-D168 WeakPolarHBondContact ND2-CA 3.4Å; N129-D168 WeakPolarHBondContact ND2-CB 3.28Å; N129-D168 VanDerWaalsContact ND2-CG 3.32Å; N129-D168 PolarHBondContact ND2-O 2.84Å; N129-D168 VanDerWaalsContact ND2-O 3.16Å; N129-D168 PolarHBondContact ND2-OD1 3.48Å; N129-R171 PolarHBondContact O-NH2 2.94Å
130P91.3Very high84.9Confident39 Ų3966.2 Ų66.225%0.25336%0.356SS..PPolyproline II helixtrans-65.6155.3174.929.5-36.4000112.1F49 P157F49-P130 HydrophobicContact CD2-CB 4.04Å; F49-P130 HydrophobicContact CE2-CB 3.65Å; F49-P130 HydrophobicContact CE2-CG 3.82Å; P130-P157 HydrophobicContact CB-CG 4.4Å; P130-P157 HydrophobicContact CG-CG 4.22Å
131P93.6Very high85.6Confident9 Ų967.5 Ų67.56%0.05837%0.365CS..PPolyproline II helixtrans-75.4149.2171.833.7-34.5000111.5V45 L156 R171 V173V45-P131 WeakPolarHBondContact O-CD 3.49Å; V45-P131 WeakPolarHBondContact O-CG 3.41Å; P131-L156 HydrophobicContact CG-CD1 4.16Å; P131-L156 HydrophobicContact CG-CD2 3.98Å; P131-R171 CarbonylContact C-O 3.59Å; P131-R171 WeakPolarHBondContact CA-O 3.46Å; P131-R171 HydrophobicContact CB-CB 4.1Å; P131-V173 HydrophobicContact CB-CG2 3.8Å; P131-V173 HydrophobicContact CG-CG2 3.88Å
132L92.8Very high86.6Confident46 Ų4667.4 Ų67.424%0.24136%0.364CS..EExtended strand (participates in β ladder)trans-70.9139.6162.7175.661.4000109.5I134 L159 I169 R171 V172 V173L132-I134 HydrophobicContact CD2-CD1 4.09Å; L132-I134 HydrophobicContact CD2-CG1 4.25Å; L132-I134 HydrophobicContact CG-CD1 4.49Å; L132-I134 HydrophobicContact CG-CG1 4.12Å; L132-L159 HydrophobicContact CD1-CD1 3.17Å; L132-I169 HydrophobicContact CB-CG2 4.16Å; L132-I169 HydrophobicContact CD2-CG2 4.32Å; L132-R171 PolarHBondContact N-O 2.85Å; L132-V172 HydrophobicContact CB-CB 4.37Å; L132-V172 HydrophobicContact CB-CG2 4.26Å; L132-V172 HydrophobicContact CG-CG2 4.33Å; L132-V172 CarbonylContact O-C 3.58Å; L132-V172 VanDerWaalsContact O-CA 3.25Å; L132-V172 WeakPolarHBondContact O-CA 3.27Å; L132-V172 WeakPolarHBondContact O-CG2 3.43Å; L132-V173 PolarHBondContact O-N 3.03Å
133L94Very high87.9Confident30 Ų3067.8 Ų67.816%0.15736%0.357CS..EExtended strand (participates in β ladder)trans-104.3124.4176.4179.762.3000110.2F135 I152 Q153 L156 V173 I175L133-F135 HydrophobicContact CD1-CE2 4.17Å; L133-F135 HydrophobicContact CD1-CZ 4.13Å; L133-F135 HydrophobicContact CD2-CE2 3.42Å; L133-F135 VanDerWaalsContact CD2-CE2 3.42Å; L133-F135 HydrophobicContact CD2-CZ 3.6Å; L133-F135 HydrophobicContact CG-CD2 4.21Å; L133-F135 HydrophobicContact CG-CE2 3.55Å; L133-F135 HydrophobicContact CG-CZ 3.93Å; L133-I152 HydrophobicContact CD1-CG2 3.92Å; L133-I152 HydrophobicContact CD2-CG2 3.75Å; L133-I152 HydrophobicContact CG-CG2 4.5Å; L133-Q153 HydrophobicContact CD2-CB 4.43Å; L133-Q153 HydrophobicContact CD2-CG 3.92Å; L133-L156 HydrophobicContact CB-CD1 3.85Å; L133-L156 HydrophobicContact CD2-CD1 4.36Å; L133-V173 HydrophobicContact CD1-CB 4.31Å; L133-V173 HydrophobicContact CD1-CG1 4Å; L133-I175 HydrophobicContact CD1-CD1 4.03Å; L133-I175 HydrophobicContact CD1-CG1 4.22Å
134I94.5Very high89.1Confident77 Ų7766.6 Ų66.640%0.39535%0.346SS..EExtended strand (participates in β ladder)trans-124136.3176.1-59-176.6000108.6L132 V172 V173 L174 I175L132-I134 HydrophobicContact CD2-CD1 4.09Å; L132-I134 HydrophobicContact CD2-CG1 4.25Å; L132-I134 HydrophobicContact CG-CD1 4.49Å; L132-I134 HydrophobicContact CG-CG1 4.12Å; I134-V172 HydrophobicContact CB-CG2 4.25Å; I134-V172 HydrophobicContact CD1-CG2 3.58Å; I134-V172 HydrophobicContact CG1-CG2 3.67Å; I134-V173 PolarHBondContact N-O 2.87Å; I134-L174 HydrophobicContact CB-CD1 4.19Å; I134-L174 HydrophobicContact CG2-CD1 3.95Å; I134-L174 WeakPolarHBondContact O-CA 3.08Å; I134-I175 PolarHBondContact O-N 3.24Å
135F95Very high90.1Very high42 Ų4262 Ų6218%0.18431%0.314CS..EExtended strand (participates in β ladder)trans-110.7137.4173.1-66.7-86.7000110.2L133 I138 Q149 I152 Q153 I175L133-F135 HydrophobicContact CD1-CE2 4.17Å; L133-F135 HydrophobicContact CD1-CZ 4.13Å; L133-F135 HydrophobicContact CD2-CE2 3.42Å; L133-F135 VanDerWaalsContact CD2-CE2 3.42Å; L133-F135 HydrophobicContact CD2-CZ 3.6Å; L133-F135 HydrophobicContact CG-CD2 4.21Å; L133-F135 HydrophobicContact CG-CE2 3.55Å; L133-F135 HydrophobicContact CG-CZ 3.93Å; F135-I138 HydrophobicContact CB-CD1 4.39Å; F135-I138 HydrophobicContact CB-CG1 3.59Å; F135-I138 HydrophobicContact CD1-CD1 3.87Å; F135-I138 HydrophobicContact CD1-CG1 3.96Å; F135-I138 HydrophobicContact CG-CG1 4.1Å; F135-Q149 HydrophobicContact CD1-CG 4.21Å; F135-Q149 HydrophobicContact CD2-CG 4.04Å; F135-Q149 HydrophobicContact CE1-CB 4.26Å; F135-Q149 HydrophobicContact CE1-CG 3.96Å; F135-Q149 HydrophobicContact CE2-CG 3.79Å; F135-Q149 HydrophobicContact CG-CG 4.23Å; F135-Q149 HydrophobicContact CZ-CB 4.33Å; F135-Q149 HydrophobicContact CZ-CG 3.73Å; F135-I152 HydrophobicContact CE1-CB 4.46Å; F135-I152 HydrophobicContact CE1-CG2 4.45Å; F135-I152 HydrophobicContact CZ-CB 4.07Å; F135-I152 HydrophobicContact CZ-CG2 4.03Å; F135-Q153 HydrophobicContact CE2-CG 3.52Å; F135-Q153 HydrophobicContact CZ-CG 3.98Å; F135-I175 CarbonylContact C-O 3.59Å; F135-I175 WeakPolarHBondContact CA-O 3.45Å; F135-I175 HydrophobicContact CD1-CB 3.85Å; F135-I175 HydrophobicContact CD1-CG2 4.14Å; F135-I175 HydrophobicContact CE1-CB 4.09Å; F135-I175 HydrophobicContact CE1-CD1 3.98Å; F135-I175 HydrophobicContact CE1-CG2 4.29Å
136S93.3Very high90.8Very high35 Ų3562.5 Ų62.525%0.24531%0.312CS..EExtended strand (participates in β ladder)trans-120.3141175.7-167.60000110.1I138 I175 Y177S136-I138 PolarHBondContact O-N 2.76Å; S136-I138 VanDerWaalsContact O-N 3.11Å; S136-I175 PolarHBondContact N-O 3.37Å; S136-Y177 PolarHBondContact O-N 2.96Å
137H91.9Very high91.5Very high140 Ų14064.4 Ų64.465%0.64832%0.322SS*.SBendtrans54.627.8174.8-49117.6000115.4D139 N176 Y177H137-D139 PolarHBondContact O-N 3.32Å; H137-N176 PolarHBondContact ND1-OD1 3.14Å; H137-Y177 WeakPolarHBondContact CB-O 3.38Å; H137-Y177 WeakPolarHBondContact O-CD1 3.5Å
138I90.2Very high91.9Very high31 Ų3162.5 Ų62.516%0.15931%0.314CS..  trans-67.3120.3178.1-67.5-70.6000110.6F135 S136 R140 V145 F184F135-I138 HydrophobicContact CB-CD1 4.39Å; F135-I138 HydrophobicContact CB-CG1 3.59Å; F135-I138 HydrophobicContact CD1-CD1 3.87Å; F135-I138 HydrophobicContact CD1-CG1 3.96Å; F135-I138 HydrophobicContact CG-CG1 4.1Å; S136-I138 PolarHBondContact O-N 2.76Å; S136-I138 VanDerWaalsContact O-N 3.11Å; I138-R140 HydrophobicContact CG2-CG 4.48Å; I138-R140 PolarHBondContact O-N 3.23Å; I138-V145 HydrophobicContact CD1-CG1 4.05Å; I138-V145 HydrophobicContact CG2-CG1 3.88Å; I138-F184 HydrophobicContact CD1-CE1 4.3Å
139D88.7Confident92.2Very high29 Ų2959.2 Ų59.216%0.15529%0.292CS..  trans-79.4106.9172-162.4-14.8000110.6H137 S141 L142 Y177 K179H137-D139 PolarHBondContact O-N 3.32Å; D139-S141 PolarHBondContact O-N 2.83Å; D139-S141 WeakPolarHBondContact OD1-CB 3.43Å; D139-S141 PolarHBondContact OD1-N 2.87Å; D139-S141 PolarHBondContact OD1-OG 2.8Å; D139-S141 PolarHBondContact OD2-OG 3.2Å; D139-L142 HydrophobicContact CB-CD1 4.35Å; D139-Y177 HydrophobicContact CB-CD1 4.25Å; D139-Y177 HydrophobicContact CB-CE1 3.9Å; D139-K179 WeakPolarHBondContact OD2-CE 3.24Å; D139-K179 IonicContact OD2-NZ 3.82Å; D139-K179 PolarHBondContact OD2-NZ 3.36Å
140R86.8Confident92.4Very high194 Ų19461.6 Ų61.673%0.73231%0.308SS*.THydrogen-bonded Turntrans-76.9-9.1179.5-65.2-176.2-177.5166.12.7113I138 L142I138-R140 HydrophobicContact CG2-CG 4.48Å; I138-R140 PolarHBondContact O-N 3.23Å; R140-L142 VanDerWaalsContact C-N 3.27Å
141S89.9Confident92.5Very high89 Ų8960.3 Ų60.362%0.62230%0.298SS*.THydrogen-bonded Turntrans-74.4-20.6175.677.30000112.5D139D139-S141 PolarHBondContact O-N 2.83Å; D139-S141 WeakPolarHBondContact OD1-CB 3.43Å; D139-S141 PolarHBondContact OD1-N 2.87Å; D139-S141 PolarHBondContact OD1-OG 2.8Å; D139-S141 PolarHBondContact OD2-OG 3.2Å
142L90.7Very high92.5Very high54 Ų5460.5 Ų60.528%0.28330%0.299SS..  trans-95.9111.6-178.1-62.8177.7000110.6D139 R140 H144 V145 R146 Y177D139-L142 HydrophobicContact CB-CD1 4.35Å; R140-L142 VanDerWaalsContact C-N 3.27Å; L142-H144 VanDerWaalsContact C-N 3.27Å; L142-H144 PolarHBondContact O-N 3.3Å; L142-V145 HydrophobicContact CB-CB 4Å; L142-V145 HydrophobicContact CB-CG2 3.6Å; L142-V145 HydrophobicContact CD1-CG2 3.82Å; L142-V145 HydrophobicContact CG-CG2 4.36Å; L142-V145 PolarHBondContact O-N 2.83Å; L142-R146 PolarHBondContact O-N 3.07Å; L142-Y177 HydrophobicContact CD1-CE1 4.43Å; L142-Y177 WeakPolarHBondContact CD1-OH 3.34Å
143D92.2Very high92.5Very high128 Ų12862.5 Ų62.568%0.68431%0.307SS*.Hα-helixtrans-57.5-38.7-178.1-71.3-34.8000113.1V145 R146 L147D143-V145 VanDerWaalsContact C-N 3.34Å; D143-V145 PolarHBondContact O-N 2.81Å; D143-R146 PolarHBondContact O-N 3.2Å; D143-L147 WeakPolarHBondContact O-CB 3.35Å; D143-L147 PolarHBondContact O-N 3.19Å
144H91.3Very high92.4Very high34 Ų3462.6 Ų62.616%0.15732%0.315CS..Hα-helixtrans-66.9-35.1178.564.1-93.9000112L142 L147 V148 L274 Y288L142-H144 VanDerWaalsContact C-N 3.27Å; L142-H144 PolarHBondContact O-N 3.3Å; H144-L147 PolarHBondContact O-N 2.88Å; H144-V148 VanDerWaalsContact O-CG2 3.3Å; H144-V148 WeakPolarHBondContact O-CG2 3.44Å; H144-V148 PolarHBondContact O-N 3.38Å; H144-L274 HydrophobicContact CB-CD2 3.91Å; H144-Y288 HydrophobicContact CB-CD1 4.15Å; H144-Y288 HydrophobicContact CB-CD2 4.12Å; H144-Y288 HydrophobicContact CB-CE2 4.49Å; H144-Y288 HydrophobicContact CB-CG 3.93Å; H144-Y288 AromaticContact CE1-CE2 3.87Å; H144-Y288 AromaticContact CG-CE2 3.95Å; H144-Y288 AromaticContact ND1-CD2 3.87Å; H144-Y288 AromaticContact ND1-CE2 3.6Å
145V93.7Very high92.3Very high0 Ų059.1 Ų59.10%030%0.297CS..Hα-helixtrans-70.7-43.4176.1-1770000110.3I138 L142 D143 L147 V148 Q149 Y177 F184I138-V145 HydrophobicContact CD1-CG1 4.05Å; I138-V145 HydrophobicContact CG2-CG1 3.88Å; L142-V145 HydrophobicContact CB-CB 4Å; L142-V145 HydrophobicContact CB-CG2 3.6Å; L142-V145 HydrophobicContact CD1-CG2 3.82Å; L142-V145 HydrophobicContact CG-CG2 4.36Å; L142-V145 PolarHBondContact O-N 2.83Å; D143-V145 VanDerWaalsContact C-N 3.34Å; D143-V145 PolarHBondContact O-N 2.81Å; V145-L147 VanDerWaalsContact C-N 3.27Å; V145-L147 PolarHBondContact O-N 2.94Å; V145-V148 WeakPolarHBondContact O-CB 3.44Å; V145-V148 PolarHBondContact O-N 2.97Å; V145-V148 VanDerWaalsContact O-N 3.15Å; V145-Q149 PolarHBondContact O-N 3.14Å; V145-Y177 HydrophobicContact CG1-CD1 4.36Å; V145-Y177 HydrophobicContact CG1-CD2 4.35Å; V145-Y177 HydrophobicContact CG1-CE1 4.43Å; V145-Y177 HydrophobicContact CG1-CE2 4.43Å; V145-Y177 HydrophobicContact CG1-CG 4.3Å; V145-Y177 HydrophobicContact CG2-CE1 4.12Å; V145-Y177 HydrophobicContact CG2-CE2 3.87Å; V145-F184 HydrophobicContact CB-CZ 4.46Å; V145-F184 HydrophobicContact CG1-CE1 3.99Å; V145-F184 HydrophobicContact CG1-CZ 4.02Å; V145-F184 HydrophobicContact CG2-CZ 4.25Å
146R94.2Very high92.1Very high156 Ų15657.8 Ų57.859%0.58929%0.291SS*.Hα-helixtrans-59-39.1174-178.2-178.4168.9-173.5-2.2111.9L142 D143 Q149 T150L142-R146 PolarHBondContact O-N 3.07Å; D143-R146 PolarHBondContact O-N 3.2Å; R146-Q149 PolarHBondContact O-N 3.26Å; R146-T150 PolarHBondContact O-N 2.89Å; R146-T150 PolarHBondContact O-OG1 2.98Å
147L93.5Very high91.8Very high54 Ų5457.9 Ų57.928%0.28329%0.292SS..Hα-helixtrans-65.1-43.5175.2-176.663.9000111.7P98 L100 D143 H144 V145 Q149 T150 M151 V277P98-L147 HydrophobicContact CG-CD1 4.35Å; L100-L147 HydrophobicContact CD2-CD2 3.86Å; L100-L147 HydrophobicContact CD2-CG 4.18Å; D143-L147 WeakPolarHBondContact O-CB 3.35Å; D143-L147 PolarHBondContact O-N 3.19Å; H144-L147 PolarHBondContact O-N 2.88Å; V145-L147 VanDerWaalsContact C-N 3.27Å; V145-L147 PolarHBondContact O-N 2.94Å; L147-Q149 VanDerWaalsContact C-N 3.33Å; L147-Q149 PolarHBondContact O-N 2.8Å; L147-T150 PolarHBondContact O-N 2.92Å; L147-M151 WeakPolarHBondContact O-CB 3.3Å; L147-M151 PolarHBondContact O-N 2.77Å; L147-V277 HydrophobicContact CD2-CG1 3.46Å; L147-V277 VanDerWaalsContact CD2-CG1 3.46Å; L147-V277 HydrophobicContact CD2-CG2 4.45Å
148V94.7Very high91.5Very high1 Ų156.4 Ų56.41%0.00630%0.297CS..Hα-helixtrans-57.9-47174172.20000110.7L100 F102 H144 V145 T150 M151 I152 F184 L274L100-V148 HydrophobicContact CD1-CG2 4.07Å; F102-V148 HydrophobicContact CE1-CG1 4.32Å; F102-V148 HydrophobicContact CE1-CG2 4.13Å; F102-V148 HydrophobicContact CZ-CG1 3.95Å; F102-V148 HydrophobicContact CZ-CG2 3.8Å; H144-V148 VanDerWaalsContact O-CG2 3.3Å; H144-V148 WeakPolarHBondContact O-CG2 3.44Å; H144-V148 PolarHBondContact O-N 3.38Å; V145-V148 WeakPolarHBondContact O-CB 3.44Å; V145-V148 PolarHBondContact O-N 2.97Å; V145-V148 VanDerWaalsContact O-N 3.15Å; V148-T150 PolarHBondContact O-N 3.39Å; V148-M151 PolarHBondContact O-N 3.03Å; V148-I152 HydrophobicContact CG1-CD1 3.72Å; V148-I152 HydrophobicContact CG1-CG1 4.38Å; V148-I152 VanDerWaalsContact O-CG1 3.3Å; V148-I152 WeakPolarHBondContact O-CG1 3.35Å; V148-I152 PolarHBondContact O-N 3.14Å; V148-F184 HydrophobicContact CB-CE1 4.35Å; V148-F184 HydrophobicContact CB-CZ 4.1Å; V148-F184 HydrophobicContact CG1-CD1 4.34Å; V148-F184 HydrophobicContact CG1-CE1 3.88Å; V148-F184 HydrophobicContact CG1-CE2 4.46Å; V148-F184 HydrophobicContact CG1-CZ 3.95Å; V148-F184 HydrophobicContact CG2-CE2 4.39Å; V148-F184 HydrophobicContact CG2-CZ 4.1Å; V148-L274 HydrophobicContact CG2-CD1 4.24Å; V148-L274 HydrophobicContact CG2-CD2 3.83Å
149Q94.3Very high91.2Very high29 Ų2959.4 Ų59.414%0.13631%0.313CS..Hα-helixtrans-57.2-51177.6-177-171.6-1300111.1F135 V145 R146 L147 M151 I152 Q153F135-Q149 HydrophobicContact CD1-CG 4.21Å; F135-Q149 HydrophobicContact CD2-CG 4.04Å; F135-Q149 HydrophobicContact CE1-CB 4.26Å; F135-Q149 HydrophobicContact CE1-CG 3.96Å; F135-Q149 HydrophobicContact CE2-CG 3.79Å; F135-Q149 HydrophobicContact CG-CG 4.23Å; F135-Q149 HydrophobicContact CZ-CB 4.33Å; F135-Q149 HydrophobicContact CZ-CG 3.73Å; V145-Q149 PolarHBondContact O-N 3.14Å; R146-Q149 PolarHBondContact O-N 3.26Å; L147-Q149 VanDerWaalsContact C-N 3.33Å; L147-Q149 PolarHBondContact O-N 2.8Å; Q149-M151 VanDerWaalsContact C-N 3.33Å; Q149-M151 PolarHBondContact O-N 2.9Å; Q149-I152 PolarHBondContact O-N 3.07Å; Q149-Q153 HydrophobicContact CG-CG 4.43Å; Q149-Q153 VanDerWaalsContact NE2-NE2 3.17Å; Q149-Q153 WeakPolarHBondContact O-CB 3.47Å; Q149-Q153 VanDerWaalsContact O-CG 3.26Å; Q149-Q153 WeakPolarHBondContact O-CG 3.47Å; Q149-Q153 PolarHBondContact O-N 2.85Å
150T93.5Very high91Very high77 Ų7762.6 Ų62.647%0.47233%0.33SS..Hα-helixtrans-61.6-42.7-178.6-53.70000111.3R146 L147 V148 Q153 G154R146-T150 PolarHBondContact O-N 2.89Å; R146-T150 PolarHBondContact O-OG1 2.98Å; L147-T150 PolarHBondContact O-N 2.92Å; V148-T150 PolarHBondContact O-N 3.39Å; T150-Q153 PolarHBondContact O-N 3.43Å; T150-G154 PolarHBondContact O-N 3.12Å
151M93.8Very high90.9Very high11 Ų1161 Ų615%0.05433%0.334CS..Hα-helixtrans-61.1-46.6177.6-169.776.315800111.5I91 M92 H93 P98 L100 L147 V148 Q149 G154 M155I91-M151 HydrophobicContact CG2-CE 3.85Å; I91-M151 HydrophobicContact CG2-CG 3.91Å; M92-M151 VanDerWaalsContact C-CE 3.46Å; H93-M151 HydrophobicContact CB-CE 3.54Å; H93-M151 HydrophobicContact CB-SD 3.92Å; P98-M151 HydrophobicContact CG-SD 4.35Å; P98-M151 WeakPolarHBondContact O-CE 3.25Å; L100-M151 HydrophobicContact CD1-CB 3.63Å; L100-M151 HydrophobicContact CD1-CG 3.65Å; L100-M151 HydrophobicContact CG-CG 4.37Å; L147-M151 WeakPolarHBondContact O-CB 3.3Å; L147-M151 PolarHBondContact O-N 2.77Å; V148-M151 PolarHBondContact O-N 3.03Å; Q149-M151 VanDerWaalsContact C-N 3.33Å; Q149-M151 PolarHBondContact O-N 2.9Å; M151-G154 PolarHBondContact O-N 3.19Å; M151-M155 WeakPolarHBondContact O-CG 3.44Å; M151-M155 PolarHBondContact O-N 3.29Å
152I94Very high90.6Very high13 Ų1364.4 Ų64.47%0.06735%0.345CS..Hα-helixtrans-71.1-38.4-177.7-64.3176.8000110.9L133 F135 V148 Q149 G154 M155 I175L133-I152 HydrophobicContact CD1-CG2 3.92Å; L133-I152 HydrophobicContact CD2-CG2 3.75Å; L133-I152 HydrophobicContact CG-CG2 4.5Å; F135-I152 HydrophobicContact CE1-CB 4.46Å; F135-I152 HydrophobicContact CE1-CG2 4.45Å; F135-I152 HydrophobicContact CZ-CB 4.07Å; F135-I152 HydrophobicContact CZ-CG2 4.03Å; V148-I152 HydrophobicContact CG1-CD1 3.72Å; V148-I152 HydrophobicContact CG1-CG1 4.38Å; V148-I152 VanDerWaalsContact O-CG1 3.3Å; V148-I152 WeakPolarHBondContact O-CG1 3.35Å; V148-I152 PolarHBondContact O-N 3.14Å; Q149-I152 PolarHBondContact O-N 3.07Å; I152-G154 VanDerWaalsContact C-N 3.26Å; I152-G154 PolarHBondContact O-N 3.33Å; I152-M155 HydrophobicContact CB-CE 4.04Å; I152-M155 HydrophobicContact CG1-CE 4.03Å; I152-M155 HydrophobicContact CG2-CE 3.73Å; I152-M155 WeakPolarHBondContact O-CB 3.41Å; I152-M155 PolarHBondContact O-N 2.86Å; I152-M155 VanDerWaalsContact O-N 3.09Å; I152-I175 HydrophobicContact CB-CD1 4.44Å; I152-I175 HydrophobicContact CD1-CD1 3.45Å; I152-I175 VanDerWaalsContact CD1-CD1 3.45Å; I152-I175 HydrophobicContact CG1-CD1 4.46Å; I152-I175 HydrophobicContact CG2-CD1 3.57Å
153Q93Very high90.3Very high89 Ų8965.8 Ų65.842%0.41636%0.36SS..Hα-helixtrans-57.7-40.8172.2-74.8176.9-23.400111.5L133 F135 Q149 T150 M155 L156L133-Q153 HydrophobicContact CD2-CB 4.43Å; L133-Q153 HydrophobicContact CD2-CG 3.92Å; F135-Q153 HydrophobicContact CE2-CG 3.52Å; F135-Q153 HydrophobicContact CZ-CG 3.98Å; Q149-Q153 HydrophobicContact CG-CG 4.43Å; Q149-Q153 VanDerWaalsContact NE2-NE2 3.17Å; Q149-Q153 WeakPolarHBondContact O-CB 3.47Å; Q149-Q153 VanDerWaalsContact O-CG 3.26Å; Q149-Q153 WeakPolarHBondContact O-CG 3.47Å; Q149-Q153 PolarHBondContact O-N 2.85Å; T150-Q153 PolarHBondContact O-N 3.43Å; Q153-M155 PolarHBondContact O-N 3.11Å; Q153-L156 PolarHBondContact O-N 2.85Å; Q153-L156 VanDerWaalsContact O-O 3.06Å
154G91.7Very high89.9Confident31 Ų3161.3 Ų61.332%0.3234%0.337SS..THydrogen-bonded Turntrans-66.1-15.3176.600000115.2P21 H76 T150 M151 I152 L156P21-G154 WeakPolarHBondContact CB-O 3.42Å; P21-G154 WeakPolarHBondContact CG-O 3.43Å; H76-G154 PolarHBondContact CE1-O 2.98Å; T150-G154 PolarHBondContact O-N 3.12Å; M151-G154 PolarHBondContact O-N 3.19Å; I152-G154 VanDerWaalsContact C-N 3.26Å; I152-G154 PolarHBondContact O-N 3.33Å; G154-L156 VanDerWaalsContact C-N 3.32Å
155M91.2Very high89.7Confident5 Ų566.9 Ų66.93%0.02536%0.356CS..THydrogen-bonded Turntrans-79.6-14.3178.1-57.7-172.8-47.500113.4F46 H76 L78 I91 M151 I152 Q153F46-M155 HydrophobicContact CE1-CE 3.7Å; F46-M155 HydrophobicContact CZ-CE 3.62Å; H76-M155 HydrophobicContact CB-CG 4.05Å; L78-M155 HydrophobicContact CD1-SD 3.82Å; L78-M155 HydrophobicContact CG-SD 4.49Å; I91-M155 HydrophobicContact CG2-SD 3.87Å; M151-M155 WeakPolarHBondContact O-CG 3.44Å; M151-M155 PolarHBondContact O-N 3.29Å; I152-M155 HydrophobicContact CB-CE 4.04Å; I152-M155 HydrophobicContact CG1-CE 4.03Å; I152-M155 HydrophobicContact CG2-CE 3.73Å; I152-M155 WeakPolarHBondContact O-CB 3.41Å; I152-M155 PolarHBondContact O-N 2.86Å; I152-M155 VanDerWaalsContact O-N 3.09Å; Q153-M155 PolarHBondContact O-N 3.11Å
156L90.7Very high89.3Confident13 Ų1369.8 Ų69.87%0.06837%0.372CS..SBendtrans-122151-178-71169.8000109.7P21 F46 P131 L133 Q153 G154P21-L156 WeakPolarHBondContact CG-O 3.16Å; F46-L156 HydrophobicContact CD1-CD2 3.95Å; F46-L156 HydrophobicContact CD1-CG 4.33Å; F46-L156 HydrophobicContact CE1-CD1 4.42Å; F46-L156 HydrophobicContact CE1-CD2 4.42Å; F46-L156 HydrophobicContact CE1-CG 4.34Å; P131-L156 HydrophobicContact CG-CD1 4.16Å; P131-L156 HydrophobicContact CG-CD2 3.98Å; L133-L156 HydrophobicContact CB-CD1 3.85Å; L133-L156 HydrophobicContact CD2-CD1 4.36Å; Q153-L156 PolarHBondContact O-N 2.85Å; Q153-L156 VanDerWaalsContact O-O 3.06Å; G154-L156 VanDerWaalsContact C-N 3.32Å
157P87.9Confident88.9Confident38 Ų3863.6 Ų63.625%0.24735%0.35CS..PPolyproline II helixtrans-61142.2177.728.4-37.2000110.6F49 P130F49-P157 HydrophobicContact CD2-CG 4.32Å; F49-P157 HydrophobicContact CE2-CB 4.48Å; F49-P157 HydrophobicContact CE2-CG 3.56Å; F49-P157 HydrophobicContact CZ-CG 4.08Å; P130-P157 HydrophobicContact CB-CG 4.4Å; P130-P157 HydrophobicContact CG-CG 4.22Å
158S85.7Confident88.6Confident109 Ų10963.1 Ų63.176%0.76235%0.348SS*.PPolyproline II helixtrans-61.9136.5172.354.50000110.5
159L84.5Confident88.4Confident94 Ų9465.2 Ų65.249%0.49236%0.359SS..PPolyproline II helixtrans-91.6129.5178.6-67.8164.8000110.2L132 V164L132-L159 HydrophobicContact CD1-CD1 3.17Å; L159-V164 HydrophobicContact CD2-CG2 4.07Å
160N84.7Confident88.2Confident95 Ų9567.1 Ų67.151%0.50837%0.365SS..PPolyproline II helixtrans-103.7116.7172.1-67.2-20.5000108.6D162 S163 V164N160-D162 PolarHBondContact O-N 2.93Å; N160-S163 WeakPolarHBondContact CB-OG 3.42Å; N160-S163 PolarHBondContact O-N 3.02Å; N160-V164 WeakPolarHBondContact O-CB 3.48Å; N160-V164 WeakPolarHBondContact O-CG2 3.31Å; N160-V164 PolarHBondContact O-N 2.81Å
161I83.5Confident88.2Confident160 Ų16063.5 Ų63.582%0.82134%0.342SS*.THydrogen-bonded Turntrans-59.1-35.6-174.2-62.2164.1000111.1
162D84.8Confident88.2Confident161 Ų16163.3 Ų63.386%0.86134%0.342SS*.THydrogen-bonded Turntrans-76.5-30.4-175-51.6-43.1000113.9N160N160-D162 PolarHBondContact O-N 2.93Å
163S83.1Confident88.3Confident84 Ų8462.7 Ų62.759%0.58734%0.339SS*.THydrogen-bonded Turntrans-103.5-7.2-173.5740000114N160N160-S163 WeakPolarHBondContact CB-OG 3.42Å; N160-S163 PolarHBondContact O-N 3.02Å
164V85.1Confident88.5Confident34 Ų3460.7 Ų60.721%0.20633%0.33CS..  trans-81.6132.8-174.5166.40000110.8L159 N160 I169L159-V164 HydrophobicContact CD2-CG2 4.07Å; N160-V164 WeakPolarHBondContact O-CB 3.48Å; N160-V164 WeakPolarHBondContact O-CG2 3.31Å; N160-V164 PolarHBondContact O-N 2.81Å; V164-I169 HydrophobicContact CG1-CD1 3.48Å; V164-I169 VanDerWaalsContact CG1-CD1 3.48Å; V164-I169 HydrophobicContact CG1-CG1 4.07Å
165R86.6Confident88.7Confident150 Ų15059.4 Ų59.457%0.56632%0.316SS*.  trans-92.5129.7174-59-176.4-59.7-170.90.4109.8D167 D168R165-D167 VanDerWaalsContact C-N 3.25Å; R165-D167 PolarHBondContact O-N 2.9Å; R165-D168 IonicContact CZ-OD2 3.24Å; R165-D168 IonicContact NE-OD2 3.48Å; R165-D168 PolarHBondContact NE-OD2 2.83Å; R165-D168 IonicContact NH2-OD1 2.66Å; R165-D168 PolarHBondContact NH2-OD1 2.75Å; R165-D168 IonicContact NH2-OD2 3.48Å; R165-D168 PolarHBondContact NH2-OD2 2.77Å; R165-D168 WeakPolarHBondContact O-CB 3.41Å; R165-D168 PolarHBondContact O-N 2.74Å; R165-D168 VanDerWaalsContact O-N 3.08Å
166L85.2Confident89Confident62 Ų6261 Ų6133%0.32533%0.325SS..G310 helixtrans-62.7-29.9-179.5-63.4-179.5000113.2D168 I169 L244 Q246 L248L166-D168 PolarHBondContact O-N 2.84Å; L166-I169 PolarHBondContact O-N 2.89Å; L166-L244 HydrophobicContact CD1-CD2 4.38Å; L166-Q246 HydrophobicContact CD1-CB 4.14Å; L166-Q246 HydrophobicContact CD1-CG 4.47Å; L166-Q246 VanDerWaalsContact N-OE1 3.12Å; L166-L248 HydrophobicContact CB-CD2 3.48Å; L166-L248 VanDerWaalsContact CB-CD2 3.48Å
167D86Confident89.3Confident26 Ų2661 Ų6114%0.13932%0.324CS..G310 helixtrans-66.6-22176.8-177.163.3000113.8R165 R170 K249R165-D167 VanDerWaalsContact C-N 3.25Å; R165-D167 PolarHBondContact O-N 2.9Å; D167-R170 WeakPolarHBondContact O-CG 3.25Å; D167-R170 PolarHBondContact O-NE 2.9Å; D167-R170 IonicContact OD1-CZ 3.46Å; D167-R170 IonicContact OD1-NH2 2.69Å; D167-R170 PolarHBondContact OD1-NH2 2.89Å; D167-R170 IonicContact OD2-NH2 3Å; D167-R170 PolarHBondContact OD2-NH2 3.49Å; D167-K249 WeakPolarHBondContact OD1-CB 3.39Å; D167-K249 WeakPolarHBondContact OD1-CG 3.09Å; D167-K249 WeakPolarHBondContact OD2-CD 3.48Å; D167-K249 WeakPolarHBondContact OD2-CE 3.33Å; D167-K249 IonicContact OD2-NZ 3.99Å; D167-K249 PolarHBondContact OD2-NZ 3.34Å
168D87.1Confident89.6Confident43 Ų4361.2 Ų61.223%0.2332%0.323CS..G310 helixtrans-79.6-22.7177.1-72.3-32.4000111.9N129 R165 L166 R170N129-D168 WeakPolarHBondContact CB-O 3.23Å; N129-D168 WeakPolarHBondContact ND2-CA 3.4Å; N129-D168 WeakPolarHBondContact ND2-CB 3.28Å; N129-D168 VanDerWaalsContact ND2-CG 3.32Å; N129-D168 PolarHBondContact ND2-O 2.84Å; N129-D168 VanDerWaalsContact ND2-O 3.16Å; N129-D168 PolarHBondContact ND2-OD1 3.48Å; R165-D168 IonicContact CZ-OD2 3.24Å; R165-D168 IonicContact NE-OD2 3.48Å; R165-D168 PolarHBondContact NE-OD2 2.83Å; R165-D168 IonicContact NH2-OD1 2.66Å; R165-D168 PolarHBondContact NH2-OD1 2.75Å; R165-D168 IonicContact NH2-OD2 3.48Å; R165-D168 PolarHBondContact NH2-OD2 2.77Å; R165-D168 WeakPolarHBondContact O-CB 3.41Å; R165-D168 PolarHBondContact O-N 2.74Å; R165-D168 VanDerWaalsContact O-N 3.08Å; L166-D168 PolarHBondContact O-N 2.84Å; D168-R170 PolarHBondContact O-N 3.35Å
169I89.9Confident89.8Confident45 Ų4562.9 Ų62.923%0.23132%0.317CS..  trans-87.194.8179-61.2164.6000109.3L132 V164 L166 I191L132-I169 HydrophobicContact CB-CG2 4.16Å; L132-I169 HydrophobicContact CD2-CG2 4.32Å; V164-I169 HydrophobicContact CG1-CD1 3.48Å; V164-I169 VanDerWaalsContact CG1-CD1 3.48Å; V164-I169 HydrophobicContact CG1-CG1 4.07Å; L166-I169 PolarHBondContact O-N 2.89Å; I169-I191 HydrophobicContact CG2-CD1 3.62Å
170R90.9Very high90.1Very high69 Ų6967.1 Ų67.126%0.2633%0.334SS..  trans-113.2-15.6-176.9-61.8-174.4175.8-150.7-7.5114.3D167 D168 G190 I191D167-R170 WeakPolarHBondContact O-CG 3.25Å; D167-R170 PolarHBondContact O-NE 2.9Å; D167-R170 IonicContact OD1-CZ 3.46Å; D167-R170 IonicContact OD1-NH2 2.69Å; D167-R170 PolarHBondContact OD1-NH2 2.89Å; D167-R170 IonicContact OD2-NH2 3Å; D167-R170 PolarHBondContact OD2-NH2 3.49Å; D168-R170 PolarHBondContact O-N 3.35Å; R170-G190 WeakPolarHBondContact O-CA 3.48Å; R170-I191 PolarHBondContact O-N 3.12Å
171R93.2Very high90.3Very high1 Ų167.7 Ų67.70%0.00433%0.334CS..EExtended strand (participates in β ladder)trans-137.9151-173.4-61-173.8-63.6118.6-4.5109.8V45 S47 Q126 N129 P131 L132 H188 Y189 M266V45-R171 PolarHBondContact O-NH1 3.43Å; V45-R171 PolarHBondContact O-NH2 2.85Å; S47-R171 PolarHBondContact O-NH2 3.45Å; Q126-R171 HydrophobicContact CB-CG 4.27Å; Q126-R171 PolarHBondContact O-NE 3.37Å; N129-R171 PolarHBondContact O-NH2 2.94Å; P131-R171 CarbonylContact C-O 3.59Å; P131-R171 WeakPolarHBondContact CA-O 3.46Å; P131-R171 HydrophobicContact CB-CB 4.1Å; L132-R171 PolarHBondContact N-O 2.85Å; R171-H188 PolarHBondContact NH1-NE2 2.73Å; R171-Y189 CarbonylContact C-O 3.59Å; R171-Y189 VanDerWaalsContact CA-O 3.31Å; R171-Y189 WeakPolarHBondContact CA-O 3.49Å; R171-M266 HydrophobicContact CG-SD 4.05Å
172V94.1Very high90.7Very high7 Ų761.2 Ų61.24%0.04231%0.307CS..EExtended strand (participates in β ladder)trans-135.7135.617663.20000110.2L132 I134 H188 Y189 I191 L263L132-V172 HydrophobicContact CB-CB 4.37Å; L132-V172 HydrophobicContact CB-CG2 4.26Å; L132-V172 HydrophobicContact CG-CG2 4.33Å; L132-V172 CarbonylContact O-C 3.58Å; L132-V172 VanDerWaalsContact O-CA 3.25Å; L132-V172 WeakPolarHBondContact O-CA 3.27Å; L132-V172 WeakPolarHBondContact O-CG2 3.43Å; I134-V172 HydrophobicContact CB-CG2 4.25Å; I134-V172 HydrophobicContact CD1-CG2 3.58Å; I134-V172 HydrophobicContact CG1-CG2 3.67Å; V172-H188 WeakPolarHBondContact O-CA 3.29Å; V172-H188 PolarHBondContact O-CD2 3.48Å; V172-Y189 HydrophobicContact CG1-CD2 4.29Å; V172-Y189 HydrophobicContact CG1-CG 4.47Å; V172-Y189 PolarHBondContact N-O 3.19Å; V172-Y189 PolarHBondContact O-N 3.19Å; V172-I191 HydrophobicContact CB-CD1 4.25Å; V172-I191 HydrophobicContact CB-CG1 4.45Å; V172-I191 HydrophobicContact CG1-CG1 4.2Å; V172-L263 HydrophobicContact CG1-CD2 4.07Å
173V95.9Very high91.2Very high1 Ų153.6 Ų53.61%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-101.2118.3166.9171.10000106.7V45 P131 L132 L133 I134 I175 F186 R187V45-V173 HydrophobicContact CG1-CG2 3.38Å; P131-V173 HydrophobicContact CB-CG2 3.8Å; P131-V173 HydrophobicContact CG-CG2 3.88Å; L132-V173 PolarHBondContact O-N 3.03Å; L133-V173 HydrophobicContact CD1-CB 4.31Å; L133-V173 HydrophobicContact CD1-CG1 4Å; I134-V173 PolarHBondContact N-O 2.87Å; V173-I175 HydrophobicContact CG1-CG1 4.17Å; V173-F186 HydrophobicContact CG1-CD2 4.01Å; V173-F186 HydrophobicContact CG1-CE1 4.45Å; V173-F186 HydrophobicContact CG1-CE2 3.37Å; V173-F186 HydrophobicContact CG1-CZ 3.64Å; V173-F186 HydrophobicContact CG2-CZ 4.2Å; V173-R187 CarbonylContact C-O 3.53Å; V173-R187 WeakPolarHBondContact CA-O 3.38Å
174L96.5Very high91.9Very high46 Ų4649.9 Ų49.924%0.24124%0.239CC..EExtended strand (participates in β ladder)trans-101.2127.9175177.764.8000108.6I134 R187 Y189I134-L174 HydrophobicContact CB-CD1 4.19Å; I134-L174 HydrophobicContact CG2-CD1 3.95Å; I134-L174 WeakPolarHBondContact O-CA 3.08Å; L174-R187 HydrophobicContact CB-CB 4.46Å; L174-R187 PolarHBondContact N-O 3.42Å; L174-R187 PolarHBondContact O-N 2.93Å; L174-Y189 HydrophobicContact CB-CD2 4.33Å; L174-Y189 HydrophobicContact CB-CE2 3.99Å; L174-Y189 HydrophobicContact CD2-CE2 4.03Å
175I96.8Very high92.4Very high5 Ų549.9 Ų49.93%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-116.4110.5170.9-57.7-171.6000108L133 I134 F135 S136 I152 V173 F184 D185 F186L133-I175 HydrophobicContact CD1-CD1 4.03Å; L133-I175 HydrophobicContact CD1-CG1 4.22Å; I134-I175 PolarHBondContact O-N 3.24Å; F135-I175 CarbonylContact C-O 3.59Å; F135-I175 WeakPolarHBondContact CA-O 3.45Å; F135-I175 HydrophobicContact CD1-CB 3.85Å; F135-I175 HydrophobicContact CD1-CG2 4.14Å; F135-I175 HydrophobicContact CE1-CB 4.09Å; F135-I175 HydrophobicContact CE1-CD1 3.98Å; F135-I175 HydrophobicContact CE1-CG2 4.29Å; S136-I175 PolarHBondContact N-O 3.37Å; I152-I175 HydrophobicContact CB-CD1 4.44Å; I152-I175 HydrophobicContact CD1-CD1 3.45Å; I152-I175 VanDerWaalsContact CD1-CD1 3.45Å; I152-I175 HydrophobicContact CG1-CD1 4.46Å; I152-I175 HydrophobicContact CG2-CD1 3.57Å; V173-I175 HydrophobicContact CG1-CG1 4.17Å; I175-F184 HydrophobicContact CG2-CB 4.37Å; I175-F184 HydrophobicContact CG2-CD1 4.03Å; I175-D185 WeakPolarHBondContact CA-O 3.49Å; I175-F186 HydrophobicContact CD1-CD2 4.24Å; I175-F186 HydrophobicContact CG1-CD2 4.17Å
176N96.5Very high93Very high39 Ų3943.3 Ų43.321%0.20921%0.213CC..EExtended strand (participates in β ladder)trans-96.9132.5174.5179.360.2000109.3H137 F184 D185H137-N176 PolarHBondContact ND1-OD1 3.14Å; N176-F184 CarbonylContact O-C 3.5Å; N176-F184 WeakPolarHBondContact O-CA 3.4Å; N176-D185 HydrophobicContact CB-CB 4.22Å; N176-D185 PolarHBondContact N-O 3.3Å; N176-D185 PolarHBondContact O-N 2.98Å
177Y96.5Very high93.5Very high11 Ų1144.5 Ų44.54%0.04321%0.214CC..EExtended strand (participates in β ladder)trans-102.1124.9172.5179.2-111.2000110.1S136 H137 D139 L142 V145 K179 C183 F184S136-Y177 PolarHBondContact O-N 2.96Å; H137-Y177 WeakPolarHBondContact CB-O 3.38Å; H137-Y177 WeakPolarHBondContact O-CD1 3.5Å; D139-Y177 HydrophobicContact CB-CD1 4.25Å; D139-Y177 HydrophobicContact CB-CE1 3.9Å; L142-Y177 HydrophobicContact CD1-CE1 4.43Å; L142-Y177 WeakPolarHBondContact CD1-OH 3.34Å; V145-Y177 HydrophobicContact CG1-CD1 4.36Å; V145-Y177 HydrophobicContact CG1-CD2 4.35Å; V145-Y177 HydrophobicContact CG1-CE1 4.43Å; V145-Y177 HydrophobicContact CG1-CE2 4.43Å; V145-Y177 HydrophobicContact CG1-CG 4.3Å; V145-Y177 HydrophobicContact CG2-CE1 4.12Å; V145-Y177 HydrophobicContact CG2-CE2 3.87Å; Y177-K179 HydrophobicContact CE1-CB 4.36Å; Y177-C183 WeakPolarHBondContact CD2-O 3.49Å; Y177-F184 AromaticContact CD2-CD1 3.74Å; Y177-F184 HydrophobicContact CD2-CD1 3.74Å; Y177-F184 HydrophobicContact CD2-CD2 4.34Å; Y177-F184 AromaticContact CD2-CE1 3.41Å; Y177-F184 HydrophobicContact CD2-CE1 3.41Å; Y177-F184 VanDerWaalsContact CD2-CE1 3.41Å; Y177-F184 HydrophobicContact CD2-CE2 4.04Å; Y177-F184 HydrophobicContact CD2-CG 4.2Å; Y177-F184 AromaticContact CD2-CZ 3.57Å; Y177-F184 HydrophobicContact CD2-CZ 3.57Å; Y177-F184 HydrophobicContact CE2-CE1 4.08Å; Y177-F184 HydrophobicContact CE2-CE2 4.03Å; Y177-F184 AromaticContact CE2-CZ 3.74Å; Y177-F184 HydrophobicContact CE2-CZ 3.74Å; Y177-F184 HydrophobicContact CG-CD1 4.46Å; Y177-F184 HydrophobicContact CG-CE1 4.13Å
178D94.7Very high94Very high43 Ų4343.4 Ų43.423%0.2321%0.207CC..EExtended strand (participates in β ladder)trans-97.4114.8173.8-176-5.7000108.8E180 G182 C183D178-E180 PolarHBondContact OD1-N 2.78Å; D178-E180 VanDerWaalsContact OD1-N 3.07Å; D178-G182 VanDerWaalsContact O-CA 3.28Å; D178-G182 WeakPolarHBondContact O-CA 3.39Å; D178-G182 PolarHBondContact O-N 2.77Å; D178-C183 PolarHBondContact N-O 3.3Å; D178-C183 PolarHBondContact O-N 2.72Å
179K90Very high94.3Very high145 Ų14543.1 Ų43.163%0.6320%0.204SC*.THydrogen-bonded Turntrans-72.9-28.8-176.9-175.2170.7177.7150.70112.4D139 Y177D139-K179 WeakPolarHBondContact OD2-CE 3.24Å; D139-K179 IonicContact OD2-NZ 3.82Å; D139-K179 PolarHBondContact OD2-NZ 3.36Å; Y177-K179 HydrophobicContact CE1-CB 4.36Å
180E90.4Very high94.4Very high182 Ų18241 Ų4185%0.8519%0.193SC*.THydrogen-bonded Turntrans-74.1-48.1-177.6-62-176.8172.600110.5D178D178-E180 PolarHBondContact OD1-N 2.78Å; D178-E180 VanDerWaalsContact OD1-N 3.07Å
181E90.6Very high94.4Very high108 Ų10839.8 Ų39.851%0.50519%0.191SC..THydrogen-bonded Turntrans-88.7-10.3-178.2-67.7-73.5144.600113.5C183E181-C183 HydrophobicContact CB-CB 4.11Å; E181-C183 PolarHBondContact O-N 2.83Å; E181-C183 PolarHBondContact O-SG 3.3Å
182G91Very high94.2Very high24 Ų2443.9 Ų43.925%0.24721%0.209CC..THydrogen-bonded Turntrans60.433.3-172.800000113D178D178-G182 VanDerWaalsContact O-CA 3.28Å; D178-G182 WeakPolarHBondContact O-CA 3.39Å; D178-G182 PolarHBondContact O-N 2.77Å
183C95.3Very high93.8Very high0 Ų045.3 Ų45.30%022%0.218CC..EExtended strand (participates in β ladder)trans-112.2152.6-171.7-72.70000112.4L105 Y177 D178 E181 K271 L272L105-C183 VanDerWaalsContact CD1-SG 3.51Å; Y177-C183 WeakPolarHBondContact CD2-O 3.49Å; D178-C183 PolarHBondContact N-O 3.3Å; D178-C183 PolarHBondContact O-N 2.72Å; E181-C183 HydrophobicContact CB-CB 4.11Å; E181-C183 PolarHBondContact O-N 2.83Å; E181-C183 PolarHBondContact O-SG 3.3Å; C183-K271 HydrophobicContact CB-CG 4.16Å; C183-L272 CarbonylContact C-O 3.56Å; C183-L272 WeakPolarHBondContact CA-O 3.48Å
184F97.1Very high93.2Very high7 Ų746.3 Ų46.33%0.03122%0.224CC..EExtended strand (participates in β ladder)trans-111.8117.3174.3-61.3-91.2000109.5F102 I138 V145 V148 I175 N176 Y177 L272 L274F102-F184 HydrophobicContact CE1-CD2 4.1Å; F102-F184 HydrophobicContact CE1-CE2 4.25Å; I138-F184 HydrophobicContact CD1-CE1 4.3Å; V145-F184 HydrophobicContact CB-CZ 4.46Å; V145-F184 HydrophobicContact CG1-CE1 3.99Å; V145-F184 HydrophobicContact CG1-CZ 4.02Å; V145-F184 HydrophobicContact CG2-CZ 4.25Å; V148-F184 HydrophobicContact CB-CE1 4.35Å; V148-F184 HydrophobicContact CB-CZ 4.1Å; V148-F184 HydrophobicContact CG1-CD1 4.34Å; V148-F184 HydrophobicContact CG1-CE1 3.88Å; V148-F184 HydrophobicContact CG1-CE2 4.46Å; V148-F184 HydrophobicContact CG1-CZ 3.95Å; V148-F184 HydrophobicContact CG2-CE2 4.39Å; V148-F184 HydrophobicContact CG2-CZ 4.1Å; I175-F184 HydrophobicContact CG2-CB 4.37Å; I175-F184 HydrophobicContact CG2-CD1 4.03Å; N176-F184 CarbonylContact O-C 3.5Å; N176-F184 WeakPolarHBondContact O-CA 3.4Å; Y177-F184 AromaticContact CD2-CD1 3.74Å; Y177-F184 HydrophobicContact CD2-CD1 3.74Å; Y177-F184 HydrophobicContact CD2-CD2 4.34Å; Y177-F184 AromaticContact CD2-CE1 3.41Å; Y177-F184 HydrophobicContact CD2-CE1 3.41Å; Y177-F184 VanDerWaalsContact CD2-CE1 3.41Å; Y177-F184 HydrophobicContact CD2-CE2 4.04Å; Y177-F184 HydrophobicContact CD2-CG 4.2Å; Y177-F184 AromaticContact CD2-CZ 3.57Å; Y177-F184 HydrophobicContact CD2-CZ 3.57Å; Y177-F184 HydrophobicContact CE2-CE1 4.08Å; Y177-F184 HydrophobicContact CE2-CE2 4.03Å; Y177-F184 AromaticContact CE2-CZ 3.74Å; Y177-F184 HydrophobicContact CE2-CZ 3.74Å; Y177-F184 HydrophobicContact CG-CD1 4.46Å; Y177-F184 HydrophobicContact CG-CE1 4.13Å; F184-L272 HydrophobicContact CB-CB 4.34Å; F184-L272 PolarHBondContact N-O 3.39Å; F184-L272 PolarHBondContact O-N 3.18Å; F184-L274 HydrophobicContact CE2-CB 4.15Å
185D97.3Very high92.5Very high34 Ų3444.8 Ų44.818%0.18222%0.217CC..EExtended strand (participates in β ladder)trans-91.3118.1171.4-67.3-38.3000109.9I175 N176 L270 K271I175-D185 WeakPolarHBondContact CA-O 3.49Å; N176-D185 HydrophobicContact CB-CB 4.22Å; N176-D185 PolarHBondContact N-O 3.3Å; N176-D185 PolarHBondContact O-N 2.98Å; D185-L270 CarbonylContact C-O 3.56Å; D185-L270 WeakPolarHBondContact CA-O 3.42Å; D185-K271 WeakPolarHBondContact OD1-CG 3.25Å
186F97.7Very high91.6Very high11 Ų1146.7 Ų46.75%0.04823%0.229CC..EExtended strand (participates in β ladder)trans-97.4123175.3-175.3-84.2000109.8M42 V45 F46 V173 I175 R269 L270M42-F186 HydrophobicContact CE-CZ 4.33Å; M42-F186 HydrophobicContact SD-CE1 4.08Å; M42-F186 HydrophobicContact SD-CZ 4.23Å; V45-F186 HydrophobicContact CG1-CE1 4.36Å; V45-F186 HydrophobicContact CG1-CZ 3.89Å; V45-F186 HydrophobicContact CG2-CE1 4.46Å; F46-F186 HydrophobicContact CE2-CZ 4.34Å; F46-F186 HydrophobicContact CZ-CE2 4.24Å; F46-F186 HydrophobicContact CZ-CZ 4.34Å; V173-F186 HydrophobicContact CG1-CD2 4.01Å; V173-F186 HydrophobicContact CG1-CE1 4.45Å; V173-F186 HydrophobicContact CG1-CE2 3.37Å; V173-F186 HydrophobicContact CG1-CZ 3.64Å; V173-F186 HydrophobicContact CG2-CZ 4.2Å; I175-F186 HydrophobicContact CD1-CD2 4.24Å; I175-F186 HydrophobicContact CG1-CD2 4.17Å; F186-R269 WeakPolarHBondContact O-CA 3.16Å; F186-L270 HydrophobicContact CB-CB 3.93Å; F186-L270 HydrophobicContact CB-CD1 4.48Å; F186-L270 HydrophobicContact CD1-CD1 4.27Å; F186-L270 HydrophobicContact CG-CD1 4.39Å; F186-L270 PolarHBondContact N-O 3.22Å; F186-L270 PolarHBondContact O-N 2.91Å; F186-L270 VanDerWaalsContact O-N 3.12Å
187R96.4Very high90.5Very high88 Ų8848.8 Ų48.833%0.33226%0.26SS..EExtended strand (participates in β ladder)trans-132.7147.8175.9-59.6-169.3178.4-121.17.1111V173 L174 Y189V173-R187 CarbonylContact C-O 3.53Å; V173-R187 WeakPolarHBondContact CA-O 3.38Å; L174-R187 HydrophobicContact CB-CB 4.46Å; L174-R187 PolarHBondContact N-O 3.42Å; L174-R187 PolarHBondContact O-N 2.93Å; R187-Y189 HydrophobicContact CB-CD2 4.31Å; R187-Y189 HydrophobicContact CB-CE2 3.45Å; R187-Y189 VanDerWaalsContact CB-CE2 3.45Å; R187-Y189 WeakPolarHBondContact CD-OH 3.44Å
188H95.5Very high89.2Confident2 Ų250 Ų501%0.00927%0.268CS..EExtended strand (participates in β ladder)trans-129.2124.5-178.3175.2-132.9000110.2V45 R171 V172 M266 G267V45-H188 HydrophobicContact CG2-CB 4.36Å; R171-H188 PolarHBondContact NH1-NE2 2.73Å; V172-H188 WeakPolarHBondContact O-CA 3.29Å; V172-H188 PolarHBondContact O-CD2 3.48Å; H188-M266 PolarHBondContact O-N 3.37Å; H188-G267 PolarHBondContact ND1-O 2.98Å; H188-G267 PolarHBondContact O-N 2.77Å
189Y94.3Very high87.9Confident38 Ų3850.1 Ų50.115%0.14927%0.273CS..EExtended strand (participates in β ladder)trans-126.8147.8-175.7-54.9-89.4000111.2R171 V172 L174 R187 L263 I264 E265R171-Y189 CarbonylContact C-O 3.59Å; R171-Y189 VanDerWaalsContact CA-O 3.31Å; R171-Y189 WeakPolarHBondContact CA-O 3.49Å; V172-Y189 HydrophobicContact CG1-CD2 4.29Å; V172-Y189 HydrophobicContact CG1-CG 4.47Å; V172-Y189 PolarHBondContact N-O 3.19Å; V172-Y189 PolarHBondContact O-N 3.19Å; L174-Y189 HydrophobicContact CB-CD2 4.33Å; L174-Y189 HydrophobicContact CB-CE2 3.99Å; L174-Y189 HydrophobicContact CD2-CE2 4.03Å; R187-Y189 HydrophobicContact CB-CD2 4.31Å; R187-Y189 HydrophobicContact CB-CE2 3.45Å; R187-Y189 VanDerWaalsContact CB-CE2 3.45Å; R187-Y189 WeakPolarHBondContact CD-OH 3.44Å; Y189-L263 HydrophobicContact CD1-CB 4.19Å; Y189-L263 HydrophobicContact CG-CB 4.35Å; Y189-I264 CarbonylContact C-O 3.53Å; Y189-I264 WeakPolarHBondContact CA-O 3.25Å; Y189-E265 HydrophobicContact CD1-CB 3.79Å; Y189-E265 HydrophobicContact CD1-CG 4.03Å; Y189-E265 HydrophobicContact CE1-CB 3.82Å; Y189-E265 HydrophobicContact CE1-CG 3.87Å
190G92.7Very high86.8Confident0 Ų047 Ų470%026%0.259CS..EExtended strand (participates in β ladder)trans-90.7141.216300000110R170 L263 I264R170-G190 WeakPolarHBondContact O-CA 3.48Å; G190-L263 WeakPolarHBondContact O-CA 3.34Å; G190-I264 PolarHBondContact N-O 2.88Å; G190-I264 PolarHBondContact O-N 2.82Å
191I91Very high85.5Confident43 Ų4338.7 Ų38.722%0.22122%0.22CC..EExtended strand (participates in β ladder)trans-93.5125.7179.6-59.3167.4000108I169 R170 V172 V261 L263I169-I191 HydrophobicContact CG2-CD1 3.62Å; R170-I191 PolarHBondContact O-N 3.12Å; V172-I191 HydrophobicContact CB-CD1 4.25Å; V172-I191 HydrophobicContact CB-CG1 4.45Å; V172-I191 HydrophobicContact CG1-CG1 4.2Å; I191-V261 HydrophobicContact CG2-CG1 3.81Å; I191-L263 HydrophobicContact CG1-CD2 3.97Å
192K87.1Confident84.5Confident88 Ų8834.4 Ų34.438%0.38320%0.203SC..EExtended strand (participates in β ladder)trans-122.2105.9176.6-176179176.9-175.70110V194 K262 I264K192-V194 HydrophobicContact CG-CG2 4.4Å; K192-K262 HydrophobicContact CB-CB 4.45Å; K192-K262 PolarHBondContact N-O 3.33Å; K192-K262 PolarHBondContact O-N 2.8Å; K192-I264 HydrophobicContact CB-CD1 4.2Å; K192-I264 HydrophobicContact CD-CD1 3.75Å
193P86.5Confident83.4Confident37 Ų3736.8 Ų36.824%0.2421%0.207CC..EExtended strand (participates in β ladder)trans-70.2134.3170.629.5-33.4000110L248 A250 I259P193-L248 HydrophobicContact CB-CD1 3.91Å; P193-L248 HydrophobicContact CG-CD1 3.98Å; P193-A250 HydrophobicContact CG-CB 3.74Å; P193-I259 HydrophobicContact CB-CD1 4.24Å; P193-I259 HydrophobicContact CB-CG2 3.67Å
194V83.1Confident82.1Confident21 Ų2139.1 Ų39.113%0.12722%0.219CC..EExtended strand (participates in β ladder)trans-124.8121.9173.3-179.50000108.7K192 V196 I259 A260 K262K192-V194 HydrophobicContact CG-CG2 4.4Å; V194-V196 PolarHBondContact O-N 2.79Å; V194-I259 CarbonylContact O-C 3.59Å; V194-I259 WeakPolarHBondContact O-CA 3.43Å; V194-I259 WeakPolarHBondContact O-CG2 3.43Å; V194-A260 PolarHBondContact N-O 2.87Å; V194-A260 PolarHBondContact O-N 2.91Å; V194-K262 HydrophobicContact CG2-CD 3.97Å; V194-K262 HydrophobicContact CG2-CG 3.97Å
195P81.3Confident80.6Confident15 Ų1542.4 Ų42.410%0.09724%0.239CC..EExtended strand (participates in β ladder)trans-64135.1176.827.6-34.2000111.1V198P195-V198 HydrophobicContact CB-CG2 4.01Å; P195-V198 HydrophobicContact CG-CG2 4.08Å
196V79.4Confident79.1Confident44 Ų4444.6 Ų44.627%0.26725%0.247SC..SBendtrans-86.5154.6174.3-177.50000108.6V194 V198 V241 E258 A260V194-V196 PolarHBondContact O-N 2.79Å; V196-V198 PolarHBondContact O-N 2.88Å; V196-V241 HydrophobicContact CG1-CG1 4.49Å; V196-V241 HydrophobicContact CG1-CG2 4.38Å; V196-V241 HydrophobicContact CG2-CG1 4.02Å; V196-V241 HydrophobicContact CG2-CG2 3.89Å; V196-E258 HydrophobicContact CB-CB 4.04Å; V196-E258 WeakPolarHBondContact CB-O 3.48Å; V196-E258 PolarHBondContact N-O 3.15Å; V196-A260 HydrophobicContact CG2-CB 3.84Å; V196-A260 VanDerWaalsContact CG2-N 3.29Å
197G72.3Confident77.7Confident84 Ų8450.5 Ų50.587%0.86627%0.273SS*.SBendtrans79.7-5.1-178.300000115.6
198V69.5Low76.1Confident35 Ų3558.2 Ų58.221%0.21230%0.302CS..  trans-91.5119.8175.6-178.10000110P195 V196 A202 K203 F206P195-V198 HydrophobicContact CB-CG2 4.01Å; P195-V198 HydrophobicContact CG-CG2 4.08Å; V196-V198 PolarHBondContact O-N 2.88Å; V198-A202 HydrophobicContact CG1-CB 3.34Å; V198-K203 HydrophobicContact CB-CG 4.46Å; V198-K203 HydrophobicContact CG1-CG 3.92Å; V198-K203 VanDerWaalsContact O-CE 3.28Å; V198-K203 WeakPolarHBondContact O-CE 3.21Å; V198-F206 HydrophobicContact CG1-CD2 3.93Å; V198-F206 HydrophobicContact CG1-CE2 3.63Å; V198-F206 HydrophobicContact CG2-CE2 4.34Å
199S68.4Low74.7Confident47 Ų4766.2 Ų66.233%0.32934%0.337SS..  trans-56.7153.7176.583.70000111.8Q201 A202 K203S199-Q201 PolarHBondContact O-N 3.07Å; S199-Q201 VanDerWaalsContact O-N 3.17Å; S199-Q201 PolarHBondContact OG-OE1 3.45Å; S199-Q201 VanDerWaalsContact OG-OE1 3.06Å; S199-A202 PolarHBondContact O-N 2.81Å; S199-A202 VanDerWaalsContact O-N 3.12Å; S199-A202 PolarHBondContact OG-N 2.93Å; S199-K203 PolarHBondContact O-N 2.85Å; S199-K203 VanDerWaalsContact O-N 3.1Å
200K65.6Low73.5Confident78 Ų7870.1 Ų70.134%0.33936%0.364SS..Hα-helixtrans-54-35.5178.3-73.4177.8-177.7173.80111.9K203 I204 L229K200-K203 WeakPolarHBondContact O-CB 3.13Å; K200-K203 PolarHBondContact O-N 2.85Å; K200-I204 PolarHBondContact O-N 3.38Å; K200-L229 HydrophobicContact CB-CD1 3.37Å; K200-L229 HydrophobicContact CD-CD1 4.34Å; K200-L229 HydrophobicContact CG-CD1 4.48Å
201Q64.5Low72.4Confident9 Ų971.4 Ų71.44%0.04237%0.373CS..Hα-helixtrans-66.9-47.7176.9-63.3122.1-15.400112.2S199 K203 I204 V205 Y222 F223 N225 L229S199-Q201 PolarHBondContact O-N 3.07Å; S199-Q201 VanDerWaalsContact O-N 3.17Å; S199-Q201 PolarHBondContact OG-OE1 3.45Å; S199-Q201 VanDerWaalsContact OG-OE1 3.06Å; Q201-K203 PolarHBondContact O-N 3.04Å; Q201-I204 WeakPolarHBondContact O-CB 3.4Å; Q201-I204 PolarHBondContact O-N 3.25Å; Q201-V205 PolarHBondContact O-N 3.28Å; Q201-V205 VanDerWaalsContact O-N 3.14Å; Q201-Y222 HydrophobicContact CB-CD1 3.93Å; Q201-Y222 HydrophobicContact CB-CE1 3.45Å; Q201-Y222 VanDerWaalsContact CB-CE1 3.45Å; Q201-Y222 HydrophobicContact CG-CD1 4.37Å; Q201-Y222 HydrophobicContact CG-CE1 4.12Å; Q201-Y222 HydrophobicContact CG-CE2 4.37Å; Q201-Y222 WeakPolarHBondContact CG-O 3.48Å; Q201-Y222 PolarHBondContact NE2-O 3.04Å; Q201-Y222 PolarHBondContact O-OH 3.18Å; Q201-F223 HydrophobicContact CB-CD1 4.03Å; Q201-F223 HydrophobicContact CB-CE1 4.21Å; Q201-F223 VanDerWaalsContact CD-CA 3.5Å; Q201-F223 VanDerWaalsContact CD-O 3.32Å; Q201-F223 PolarHBondContact NE2-O 2.88Å; Q201-F223 PolarHBondContact OE1-O 3.13Å; Q201-N225 PolarHBondContact NE2-O 3.08Å; Q201-N225 VanDerWaalsContact NE2-O 3.13Å; Q201-L229 HydrophobicContact CG-CD1 3.64Å
202A68Low71.5Confident18 Ų1875.7 Ų75.715%0.14940%0.396CS..Hα-helixtrans-58.7-35.217600000111.6V198 S199 I204 V205 F206 F223V198-A202 HydrophobicContact CG1-CB 3.34Å; S199-A202 PolarHBondContact O-N 2.81Å; S199-A202 VanDerWaalsContact O-N 3.12Å; S199-A202 PolarHBondContact OG-N 2.93Å; A202-I204 VanDerWaalsContact C-N 3.28Å; A202-I204 PolarHBondContact O-N 3.26Å; A202-V205 PolarHBondContact O-N 3Å; A202-F206 HydrophobicContact CB-CE2 4.31Å; A202-F206 WeakPolarHBondContact O-CD2 3.5Å; A202-F206 WeakPolarHBondContact O-CG 3.48Å; A202-F206 PolarHBondContact O-N 2.96Å; A202-F223 HydrophobicContact CB-CE1 3.97Å
203K67.6Low70.9Confident73 Ų7375.8 Ų75.832%0.31740%0.4SS..Hα-helixtrans-61.9-32.1173.7-67.7174.4-176.5162.20113.2V198 S199 K200 Q201 K207V198-K203 HydrophobicContact CB-CG 4.46Å; V198-K203 HydrophobicContact CG1-CG 3.92Å; V198-K203 VanDerWaalsContact O-CE 3.28Å; V198-K203 WeakPolarHBondContact O-CE 3.21Å; S199-K203 PolarHBondContact O-N 2.85Å; S199-K203 VanDerWaalsContact O-N 3.1Å; K200-K203 WeakPolarHBondContact O-CB 3.13Å; K200-K203 PolarHBondContact O-N 2.85Å; Q201-K203 PolarHBondContact O-N 3.04Å; K203-K207 WeakPolarHBondContact O-CG 3.16Å; K203-K207 PolarHBondContact O-N 3.03Å
204I68.6Low70.5Confident49 Ų4977.5 Ų77.525%0.25143%0.425SS..Hα-helixtrans-72.8-44.2175.5-65.4171.2000109.9K200 Q201 A202 F206 K207 P211 L229K200-I204 PolarHBondContact O-N 3.38Å; Q201-I204 WeakPolarHBondContact O-CB 3.4Å; Q201-I204 PolarHBondContact O-N 3.25Å; A202-I204 VanDerWaalsContact C-N 3.28Å; A202-I204 PolarHBondContact O-N 3.26Å; I204-F206 PolarHBondContact O-N 2.82Å; I204-K207 CarbonylContact O-C 3.48Å; I204-K207 WeakPolarHBondContact O-CA 3.19Å; I204-K207 WeakPolarHBondContact O-CB 3.44Å; I204-K207 PolarHBondContact O-N 3.45Å; I204-P211 HydrophobicContact CG2-CB 4.13Å; I204-P211 HydrophobicContact CG2-CG 4.25Å; I204-L229 HydrophobicContact CD1-CD2 3.34Å
205V67Low70.2Confident76 Ų7681.8 Ų81.846%0.46145%0.451SS..Hα-helixtrans-59.5-34.8174-179.90000111.6Q201 A202 K207 Y222Q201-V205 PolarHBondContact O-N 3.28Å; Q201-V205 VanDerWaalsContact O-N 3.14Å; A202-V205 PolarHBondContact O-N 3Å; V205-K207 VanDerWaalsContact C-N 3.3Å; V205-K207 PolarHBondContact O-N 2.83Å; V205-Y222 HydrophobicContact CG2-CE1 3.85Å
206F65.6Low70Confident81 Ų8183.2 Ų83.236%0.35546%0.455SS..Hα-helixtrans-69.9-24.4172.5-74.8-54.3000113.5V198 A202 I204 R251V198-F206 HydrophobicContact CG1-CD2 3.93Å; V198-F206 HydrophobicContact CG1-CE2 3.63Å; V198-F206 HydrophobicContact CG2-CE2 4.34Å; A202-F206 HydrophobicContact CB-CE2 4.31Å; A202-F206 WeakPolarHBondContact O-CD2 3.5Å; A202-F206 WeakPolarHBondContact O-CG 3.48Å; A202-F206 PolarHBondContact O-N 2.96Å; I204-F206 PolarHBondContact O-N 2.82Å; F206-R251 HydrophobicContact CD1-CG 4.03Å; F206-R251 VanDerWaalsContact O-CD 3.24Å; F206-R251 WeakPolarHBondContact O-CD 3.11Å; F206-R251 PolarHBondContact O-NH1 3.25Å
207K66.8Low69.9Low135 Ų13590.1 Ų90.159%0.58748%0.484SS*.SBendtrans-79144.8168.6-67.3169.4-174173.60107.5K203 I204 V205 K209K203-K207 WeakPolarHBondContact O-CG 3.16Å; K203-K207 PolarHBondContact O-N 3.03Å; I204-K207 CarbonylContact O-C 3.48Å; I204-K207 WeakPolarHBondContact O-CA 3.19Å; I204-K207 WeakPolarHBondContact O-CB 3.44Å; I204-K207 PolarHBondContact O-N 3.45Å; V205-K207 VanDerWaalsContact C-N 3.3Å; V205-K207 PolarHBondContact O-N 2.83Å; K207-K209 PolarHBondContact O-N 3.03Å
208R63.8Low70.3Confident249 Ų24990.2 Ų90.294%0.9447%0.465SS*.SBendtrans-62.94.5179.4-67.3-177178.5-179.3-2.9114.4V210R208-V210 PolarHBondContact O-N 3.45Å
209K66.3Low70.5Confident170 Ų17094.5 Ų94.574%0.73949%0.485SS*.  trans-93.298.4179.2-167.8177.6-175.7-174.50106.8K207 P211K207-K209 PolarHBondContact O-N 3.03Å; K209-P211 WeakPolarHBondContact O-CD 3.34Å
210V68.5Low71Confident120 Ų12095 Ų9573%0.72749%0.489SS*.  trans-59.5119.9172-175.60000106.8R208R208-V210 PolarHBondContact O-N 3.45Å
211P69.2Low71.6Confident27 Ų2794.5 Ų94.518%0.17549%0.488CS..  trans-64.2153.5173.227.7-32000109.2I204 K209 L213 Y222I204-P211 HydrophobicContact CG2-CB 4.13Å; I204-P211 HydrophobicContact CG2-CG 4.25Å; K209-P211 WeakPolarHBondContact O-CD 3.34Å; P211-L213 HydrophobicContact CG-CD2 4.08Å; P211-L213 HydrophobicContact CG-CG 4.4Å; P211-L213 PolarHBondContact O-N 3.49Å; P211-L213 VanDerWaalsContact O-N 3.16Å; P211-Y222 HydrophobicContact CB-CE2 4.14Å; P211-Y222 HydrophobicContact CG-CE1 4.31Å; P211-Y222 HydrophobicContact CG-CE2 4.11Å; P211-Y222 WeakPolarHBondContact CG-OH 3.24Å
212D72.4Confident72Confident134 Ų13494.8 Ų94.872%0.71749%0.488SS*.  trans-67.1115.6170-167.1-4.6000108.1G214D212-G214 PolarHBondContact OD1-N 3.24Å; D212-G214 VanDerWaalsContact OD1-N 3.11Å
213L74.2Confident72.2Confident90 Ų9098.2 Ų98.247%0.47150%0.5SS..  trans-100.8-1-178.7-65.7174.4000111.7P211 T215 Y216 Y222P211-L213 HydrophobicContact CG-CD2 4.08Å; P211-L213 HydrophobicContact CG-CG 4.4Å; P211-L213 PolarHBondContact O-N 3.49Å; P211-L213 VanDerWaalsContact O-N 3.16Å; L213-T215 PolarHBondContact O-N 3.44Å; L213-T215 VanDerWaalsContact O-N 3.15Å; L213-Y216 PolarHBondContact O-N 2.98Å; L213-Y222 HydrophobicContact CD2-CD2 4.13Å; L213-Y222 HydrophobicContact CD2-CE2 4.49Å; L213-Y222 HydrophobicContact CD2-CG 4.19Å
214G78.3Confident72.6Confident73 Ų7399.5 Ų99.575%0.75351%0.514SS*.THydrogen-bonded Turntrans-65-19.9-172.800000114.9D212D212-G214 PolarHBondContact OD1-N 3.24Å; D212-G214 VanDerWaalsContact OD1-N 3.11Å
215T77.6Confident72.6Confident111 Ų111100.5 Ų100.568%0.68152%0.52SS*.THydrogen-bonded Turntrans-84.1-20.9179-42.10000113.4L213L213-T215 PolarHBondContact O-N 3.44Å; L213-T215 VanDerWaalsContact O-N 3.15Å
216Y76.2Confident72.2Confident45 Ų45101.1 Ų101.118%0.17653%0.526CS..  trans-94.9134.2-174.1-61.3-82000110.5L213 E221 Y222L213-Y216 PolarHBondContact O-N 2.98Å; Y216-E221 HydrophobicContact CD1-CB 3.76Å; Y216-Y222 HydrophobicContact CD2-CD2 4.25Å; Y216-Y222 AromaticContact CE2-CD2 3.83Å; Y216-Y222 HydrophobicContact CE2-CD2 3.83Å
217Q78Confident72Confident189 Ų189105.6 Ų105.688%0.88355%0.548SS*.SBendtrans-82.7-31.6175.6-65.2-172.811.300111.3E221Q217-E221 PolarHBondContact N-OE2 2.88Å
218D79.3Confident71.5Confident85 Ų85107.3 Ų107.346%0.45555%0.552SS.*SBendtrans-130.7151.5179.1-173.927.6000112.3S220 E221D218-S220 PolarHBondContact O-N 2.96Å; D218-S220 VanDerWaalsContact OD2-CB 3.26Å; D218-S220 WeakPolarHBondContact OD2-CB 3.42Å; D218-S220 PolarHBondContact OD2-N 3.16Å; D218-S220 PolarHBondContact OD2-OG 3.46Å; D218-E221 HydrophobicContact CB-CG 4.29Å; D218-E221 PolarHBondContact N-OE2 2.9Å; D218-E221 WeakPolarHBondContact O-CB 3.01Å; D218-E221 PolarHBondContact O-N 3.45Å
219I75.2Confident71.1Confident125 Ų12596.9 Ų96.964%0.64152%0.515SS*.Hα-helixtrans-63-34.2177.1-58.7170.7000110.2E221 Y222 F223I219-E221 VanDerWaalsContact C-N 3.3Å; I219-E221 PolarHBondContact O-N 3.09Å; I219-Y222 WeakPolarHBondContact O-CB 3.4Å; I219-Y222 PolarHBondContact O-N 3.48Å; I219-F223 HydrophobicContact CG2-CD2 4.1Å; I219-F223 HydrophobicContact CG2-CE2 3.72Å; I219-F223 VanDerWaalsContact O-CD2 3.27Å; I219-F223 WeakPolarHBondContact O-CD2 3.5Å; I219-F223 PolarHBondContact O-N 3.48Å
220S77.8Confident70.2Confident58 Ų5893.6 Ų93.641%0.40651%0.513SS..Hα-helixtrans-64.2-33.9179.372.50000112.5D218 Y222 F223 T224D218-S220 PolarHBondContact O-N 2.96Å; D218-S220 VanDerWaalsContact OD2-CB 3.26Å; D218-S220 WeakPolarHBondContact OD2-CB 3.42Å; D218-S220 PolarHBondContact OD2-N 3.16Å; D218-S220 PolarHBondContact OD2-OG 3.46Å; S220-Y222 VanDerWaalsContact C-N 3.29Å; S220-Y222 PolarHBondContact O-N 2.75Å; S220-F223 PolarHBondContact O-N 2.66Å; S220-T224 WeakPolarHBondContact O-CB 3.31Å; S220-T224 PolarHBondContact O-N 2.85Å; S220-T224 PolarHBondContact O-OG1 2.77Å
221E78.3Confident69.3Low68 Ų6896.6 Ų96.632%0.31852%0.519SS..Hα-helixtrans-62.6-39.4177.2-63.2179.9157.300111.1Y216 Q217 D218 I219 F223 T224 N225Y216-E221 HydrophobicContact CD1-CB 3.76Å; Q217-E221 PolarHBondContact N-OE2 2.88Å; D218-E221 HydrophobicContact CB-CG 4.29Å; D218-E221 PolarHBondContact N-OE2 2.9Å; D218-E221 WeakPolarHBondContact O-CB 3.01Å; D218-E221 PolarHBondContact O-N 3.45Å; I219-E221 VanDerWaalsContact C-N 3.3Å; I219-E221 PolarHBondContact O-N 3.09Å; E221-F223 PolarHBondContact O-N 3.46Å; E221-T224 PolarHBondContact O-N 2.91Å; E221-N225 WeakPolarHBondContact O-CB 3.34Å; E221-N225 PolarHBondContact O-N 3.29Å
222Y73.9Confident68.1Low14 Ų1499.6 Ų99.66%0.05554%0.541CS..Hα-helixtrans-60.1-36.9175.2-178.6-112.4000111.4Q201 V205 P211 L213 Y216 I219 S220Q201-Y222 HydrophobicContact CB-CD1 3.93Å; Q201-Y222 HydrophobicContact CB-CE1 3.45Å; Q201-Y222 VanDerWaalsContact CB-CE1 3.45Å; Q201-Y222 HydrophobicContact CG-CD1 4.37Å; Q201-Y222 HydrophobicContact CG-CE1 4.12Å; Q201-Y222 HydrophobicContact CG-CE2 4.37Å; Q201-Y222 WeakPolarHBondContact CG-O 3.48Å; Q201-Y222 PolarHBondContact NE2-O 3.04Å; Q201-Y222 PolarHBondContact O-OH 3.18Å; V205-Y222 HydrophobicContact CG2-CE1 3.85Å; P211-Y222 HydrophobicContact CB-CE2 4.14Å; P211-Y222 HydrophobicContact CG-CE1 4.31Å; P211-Y222 HydrophobicContact CG-CE2 4.11Å; P211-Y222 WeakPolarHBondContact CG-OH 3.24Å; L213-Y222 HydrophobicContact CD2-CD2 4.13Å; L213-Y222 HydrophobicContact CD2-CE2 4.49Å; L213-Y222 HydrophobicContact CD2-CG 4.19Å; Y216-Y222 HydrophobicContact CD2-CD2 4.25Å; Y216-Y222 AromaticContact CE2-CD2 3.83Å; Y216-Y222 HydrophobicContact CE2-CD2 3.83Å; I219-Y222 WeakPolarHBondContact O-CB 3.4Å; I219-Y222 PolarHBondContact O-N 3.48Å; S220-Y222 VanDerWaalsContact C-N 3.29Å; S220-Y222 PolarHBondContact O-N 2.75Å
223F72.7Confident67Low91 Ų9197 Ų9740%0.39952%0.524SS..Hα-helixtrans-81.1-29.4177.4-70.9-70.6000113.7Q201 A202 I219 S220 E221Q201-F223 HydrophobicContact CB-CD1 4.03Å; Q201-F223 HydrophobicContact CB-CE1 4.21Å; Q201-F223 VanDerWaalsContact CD-CA 3.5Å; Q201-F223 VanDerWaalsContact CD-O 3.32Å; Q201-F223 PolarHBondContact NE2-O 2.88Å; Q201-F223 PolarHBondContact OE1-O 3.13Å; A202-F223 HydrophobicContact CB-CE1 3.97Å; I219-F223 HydrophobicContact CG2-CD2 4.1Å; I219-F223 HydrophobicContact CG2-CE2 3.72Å; I219-F223 VanDerWaalsContact O-CD2 3.27Å; I219-F223 WeakPolarHBondContact O-CD2 3.5Å; I219-F223 PolarHBondContact O-N 3.48Å; S220-F223 PolarHBondContact O-N 2.66Å; E221-F223 PolarHBondContact O-N 3.46Å
224T75.8Confident65.9Low100 Ų10097 Ų9761%0.61353%0.53SS*.Hα-helixtrans-86.7-28.1-173-50.70000112.7S220 E221 P226S220-T224 WeakPolarHBondContact O-CB 3.31Å; S220-T224 PolarHBondContact O-N 2.85Å; S220-T224 PolarHBondContact O-OG1 2.77Å; E221-T224 PolarHBondContact O-N 2.91Å; T224-P226 WeakPolarHBondContact O-CD 3.45Å
225N66.8Low64.4Low70 Ų70102 Ų10237%0.37453%0.533SS..  trans-95.2100.9-179-70.1-19.9000111.9Q201 E221 E227Q201-N225 PolarHBondContact NE2-O 3.08Å; Q201-N225 VanDerWaalsContact NE2-O 3.13Å; E221-N225 WeakPolarHBondContact O-CB 3.34Å; E221-N225 PolarHBondContact O-N 3.29Å; N225-E227 VanDerWaalsContact C-N 3.29Å
226P60.4Low63.2Low89 Ų89102.8 Ų102.858%0.57853%0.529SS*.  trans-76.2-12.8174.431-36.8000113.8T224 Y228 L229T224-P226 WeakPolarHBondContact O-CD 3.45Å; P226-Y228 PolarHBondContact O-N 2.87Å; P226-Y228 VanDerWaalsContact O-N 3.1Å; P226-L229 PolarHBondContact O-N 3.44Å
227E61.7Low62Low174 Ų174103.1 Ų103.181%0.81355%0.547SS*.THydrogen-bonded Turntrans-55.6-30.8-170.8-99.7178.4165.100114.7N225 L229N225-E227 VanDerWaalsContact C-N 3.29Å; E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 2.72Å
228Y55.2Low60.9Low172 Ų172100.9 Ų100.968%0.67554%0.541SS*.THydrogen-bonded Turntrans-87.34.8-178.3-74.4-79.4000114.7P226P226-Y228 PolarHBondContact O-N 2.87Å; P226-Y228 VanDerWaalsContact O-N 3.1Å
229L55Low60Low30 Ų30101.4 Ų101.416%0.15756%0.557CS.*SBendtrans-107.5102.8-179.3-59.8173.8000110.4K200 Q201 I204 P226 E227 E231K200-L229 HydrophobicContact CB-CD1 3.37Å; K200-L229 HydrophobicContact CD-CD1 4.34Å; K200-L229 HydrophobicContact CG-CD1 4.48Å; Q201-L229 HydrophobicContact CG-CD1 3.64Å; I204-L229 HydrophobicContact CD1-CD2 3.34Å; P226-L229 PolarHBondContact O-N 3.44Å; E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 2.72Å; L229-E231 PolarHBondContact O-N 3.03Å
230S48.6Very low60Low101 Ų10199.8 Ų99.871%0.70655%0.549SS*.  trans-33.4114.2174.2177.50000112.5S232S230-S232 PolarHBondContact O-N 3.19Å; S230-S232 PolarHBondContact OG-OG 3.26Å
231E48Very low60.1Low183 Ų18399.1 Ų99.186%0.85554%0.543SS*.  trans-64.810.7-173-66-165.9138.900115.5L229 E233L229-E231 PolarHBondContact O-N 3.03Å; E231-E233 VanDerWaalsContact C-N 3.25Å; E231-E233 PolarHBondContact O-N 2.89Å; E231-E233 VanDerWaalsContact O-N 3.07Å
232S45Very low60.3Low90 Ų90100 Ų10063%0.62955%0.553SS**  trans-80.815.8-169.458.80000116.2S230S230-S232 PolarHBondContact O-N 3.19Å; S230-S232 PolarHBondContact OG-OG 3.26Å
233E49.3Very low60.6Low79 Ų79105.7 Ų105.737%0.36958%0.58SS.*SBendtrans-119111.8164.7-70.3-155.3-170.800109.3K119 E231 E235 K262K119-E233 IonicContact NZ-OE1 2.66Å; K119-E233 PolarHBondContact NZ-OE1 3.11Å; E231-E233 VanDerWaalsContact C-N 3.25Å; E231-E233 PolarHBondContact O-N 2.89Å; E231-E233 VanDerWaalsContact O-N 3.07Å; E233-E235 PolarHBondContact O-N 2.68Å; E233-K262 IonicContact OE2-NZ 2.76Å; E233-K262 PolarHBondContact OE2-NZ 3.45Å
234P50.7Low60.9Low90 Ų90102.3 Ų102.358%0.58457%0.566SS**  trans-55.1137.7164.922.2-30.1000108.1E236P234-E236 HydrophobicContact CB-CG 4.47Å; P234-E236 HydrophobicContact CG-CG 4.11Å; P234-E236 PolarHBondContact O-N 3.35Å
235E47.9Very low61.1Low178 Ų178101.2 Ų101.283%0.83256%0.562SS**  trans-6580.2159.4-65-154.2155.300106.9E233 G237E233-E235 PolarHBondContact O-N 2.68Å; E235-G237 PolarHBondContact O-N 3Å; E235-G237 VanDerWaalsContact O-N 3.1Å
236E50.6Low61.8Low127 Ų127101.3 Ų101.359%0.59356%0.561SS**  trans-57.4117.7174.8-84.4166.3160.800107.4P234 K262P234-E236 HydrophobicContact CB-CG 4.47Å; P234-E236 HydrophobicContact CG-CG 4.11Å; P234-E236 PolarHBondContact O-N 3.35Å; E236-K262 IonicContact OE2-NZ 3.09Å
237G51.8Low62.8Low53 Ų53102.4 Ų102.455%0.54656%0.561SS.*  trans-53.7163.5-169.600000114.2E235 A239E235-G237 PolarHBondContact O-N 3Å; E235-G237 VanDerWaalsContact O-N 3.1Å; G237-A239 PolarHBondContact O-N 3.48Å
238N55.9Low63.6Low141 Ų14195.5 Ų95.575%0.75453%0.53SS*.G310 helixtrans-53.40.3-171.6-63.7-11.2000116.9N240 V241N238-N240 PolarHBondContact O-N 3.13Å; N238-N240 VanDerWaalsContact O-N 3.1Å; N238-V241 HydrophobicContact CB-CG2 4.39Å; N238-V241 WeakPolarHBondContact O-CG2 3.45Å; N238-V241 PolarHBondContact O-N 3.26Å
239A58.9Low64.6Low96 Ų9695 Ų9579%0.79353%0.531SS*.G310 helixtrans-61.3-19.6-176.400000114.5G237G237-A239 PolarHBondContact O-N 3.48Å
240N75.8Confident65.5Low91 Ų9195.3 Ų95.349%0.48754%0.538SS..G310 helixtrans-110.513.8-176.5-62.2-31000113.8N238 A260 V261N238-N240 PolarHBondContact O-N 3.13Å; N238-N240 VanDerWaalsContact O-N 3.1Å; N240-A260 WeakPolarHBondContact O-CA 3.42Å; N240-V261 PolarHBondContact O-N 2.83Å
241V79.2Confident66.6Low45 Ų4597.8 Ų97.827%0.27353%0.532SS..EExtended strand (participates in β ladder)trans-85.7125-176.9-177.50000110.2V196 N238 E258 I259V196-V241 HydrophobicContact CG1-CG1 4.49Å; V196-V241 HydrophobicContact CG1-CG2 4.38Å; V196-V241 HydrophobicContact CG2-CG1 4.02Å; V196-V241 HydrophobicContact CG2-CG2 3.89Å; N238-V241 HydrophobicContact CB-CG2 4.39Å; N238-V241 WeakPolarHBondContact O-CG2 3.45Å; N238-V241 PolarHBondContact O-N 3.26Å; V241-E258 HydrophobicContact CG1-CB 3.75Å; V241-E258 HydrophobicContact CG1-CG 4.1Å; V241-I259 WeakPolarHBondContact CA-O 3.23Å
242V82.6Confident67.6Low86 Ų8690.4 Ų90.452%0.52151%0.506SS..EExtended strand (participates in β ladder)trans-132.1138.3179.3-177.10000109.1I259V242-I259 PolarHBondContact N-O 3.48Å; V242-I259 PolarHBondContact O-N 3.21Å
243E80.3Confident69.1Low134 Ų13486.2 Ų86.263%0.62648%0.476SS*.EExtended strand (participates in β ladder)trans-77.2130.7172.6-167.6-174.5170.800110.9
244L80.4Confident70.4Confident19 Ų1989.6 Ų89.610%0.09949%0.49CS..  trans-77.1127.3177.7-75.3-172.2000113.5L166 L248 C253 K254 S256 T257 I259L166-L244 HydrophobicContact CD1-CD2 4.38Å; L244-L248 HydrophobicContact CD1-CD1 3.91Å; L244-L248 HydrophobicContact CD1-CG 3.92Å; L244-L248 HydrophobicContact CD2-CD1 3.9Å; L244-L248 HydrophobicContact CD2-CG 4.32Å; L244-C253 HydrophobicContact CD1-CB 4.07Å; L244-K254 WeakPolarHBondContact CD1-O 3.4Å; L244-S256 PolarHBondContact O-N 2.86Å; L244-T257 PolarHBondContact N-O 3.17Å; L244-T257 VanDerWaalsContact N-O 3.13Å; L244-I259 HydrophobicContact CD1-CD1 3.12Å; L244-I259 HydrophobicContact CD1-CG1 3.93Å; L244-I259 HydrophobicContact CD2-CD1 3.98Å; L244-I259 HydrophobicContact CD2-CG1 4.48Å; L244-I259 HydrophobicContact CG-CB 4.4Å; L244-I259 HydrophobicContact CG-CD1 3.5Å; L244-I259 HydrophobicContact CG-CG1 3.85Å
245S80Confident71.7Confident78 Ų7891.4 Ų91.455%0.54549%0.488SS..SBendtrans-82.6-21.3170.758.70000114.2K255S245-K255 WeakPolarHBondContact O-CD 3.5Å; S245-K255 VanDerWaalsContact O-CE 3.25Å; S245-K255 WeakPolarHBondContact O-CE 3.4Å
246Q81.1Confident73.1Confident72 Ų7287 Ų8734%0.33648%0.477SS..SBendtrans-134.4153.5-176.2-60.9177.4-5.800111.1L166L166-Q246 HydrophobicContact CD1-CB 4.14Å; L166-Q246 HydrophobicContact CD1-CG 4.47Å; L166-Q246 VanDerWaalsContact N-OE1 3.12Å
247D80.6Confident74.6Confident111 Ų11183 Ų8359%0.59446%0.462SS*.  trans-67.6135.6170.9-69.2-40.6000111.4K254 K255D247-K254 WeakPolarHBondContact OD1-CA 3.49Å; D247-K255 WeakPolarHBondContact OD1-CB 3.5Å; D247-K255 PolarHBondContact OD1-N 3.28Å
248L78.8Confident76.1Confident30 Ų3085.8 Ų85.816%0.15746%0.46CS..  trans-103.6149.9172.3-60.6-178.3000110.4L166 P193 L244 A250 C253 I259L166-L248 HydrophobicContact CB-CD2 3.48Å; L166-L248 VanDerWaalsContact CB-CD2 3.48Å; P193-L248 HydrophobicContact CB-CD1 3.91Å; P193-L248 HydrophobicContact CG-CD1 3.98Å; L244-L248 HydrophobicContact CD1-CD1 3.91Å; L244-L248 HydrophobicContact CD1-CG 3.92Å; L244-L248 HydrophobicContact CD2-CD1 3.9Å; L244-L248 HydrophobicContact CD2-CG 4.32Å; L248-A250 HydrophobicContact CB-CB 4.32Å; L248-A250 PolarHBondContact O-N 3.1Å; L248-C253 HydrophobicContact CB-CB 3.84Å; L248-C253 HydrophobicContact CD1-CB 4.17Å; L248-C253 HydrophobicContact CG-CB 4.39Å; L248-C253 PolarHBondContact N-O 2.7Å; L248-I259 HydrophobicContact CD1-CD1 4.28Å
249K76.5Confident77.5Confident160 Ų16079.2 Ų79.270%0.69643%0.425SS*.SBendtrans-68.7-10.7171.4-62.1-176.1-172.9138.50112.8D167D167-K249 WeakPolarHBondContact OD1-CB 3.39Å; D167-K249 WeakPolarHBondContact OD1-CG 3.09Å; D167-K249 WeakPolarHBondContact OD2-CD 3.48Å; D167-K249 WeakPolarHBondContact OD2-CE 3.33Å; D167-K249 IonicContact OD2-NZ 3.99Å; D167-K249 PolarHBondContact OD2-NZ 3.34Å
250A73.9Confident78.8Confident37 Ų3775.7 Ų75.731%0.30640%0.396SS..SBendtrans-67.8136.1174.400000110.5P193 L248 G252 C253P193-A250 HydrophobicContact CG-CB 3.74Å; L248-A250 HydrophobicContact CB-CB 4.32Å; L248-A250 PolarHBondContact O-N 3.1Å; A250-G252 PolarHBondContact O-N 2.86Å; A250-C253 HydrophobicContact CB-CB 4.09Å; A250-C253 WeakPolarHBondContact O-CB 3.09Å; A250-C253 PolarHBondContact O-N 2.81Å
251R70.7Confident79.4Confident153 Ų15374.3 Ų74.358%0.57739%0.391SS*.THydrogen-bonded Turntrans-65.1131.4-175.4-165.8175.4-175.7-179.1-4110.6F206 C253F206-R251 HydrophobicContact CD1-CG 4.03Å; F206-R251 VanDerWaalsContact O-CD 3.24Å; F206-R251 WeakPolarHBondContact O-CD 3.11Å; F206-R251 PolarHBondContact O-NH1 3.25Å; R251-C253 VanDerWaalsContact C-N 3.31Å
252G70.4Confident79.8Confident29 Ų2974.8 Ų74.830%0.29939%0.389SS..THydrogen-bonded Turntrans81.74.8179.900000114.8A250A250-G252 PolarHBondContact O-N 2.86Å
253C75Confident80.2Confident2 Ų275.3 Ų75.31%0.01439%0.389CS..  trans-107.870.7-175.5-58.30000110.6L244 L248 A250 R251 I259L244-C253 HydrophobicContact CD1-CB 4.07Å; L248-C253 HydrophobicContact CB-CB 3.84Å; L248-C253 HydrophobicContact CD1-CB 4.17Å; L248-C253 HydrophobicContact CG-CB 4.39Å; L248-C253 PolarHBondContact N-O 2.7Å; A250-C253 HydrophobicContact CB-CB 4.09Å; A250-C253 WeakPolarHBondContact O-CB 3.09Å; A250-C253 PolarHBondContact O-N 2.81Å; R251-C253 VanDerWaalsContact C-N 3.31Å; C253-I259 HydrophobicContact CB-CD1 3.39Å; C253-I259 WeakPolarHBondContact SG-CD1 3.43Å
254K77.9Confident80.8Confident149 Ų14970.3 Ų70.365%0.64837%0.366SS*.  trans-88.4162.1177-66-174.5178.9-177.60110.7L244 D247 T257L244-K254 WeakPolarHBondContact CD1-O 3.4Å; D247-K254 WeakPolarHBondContact OD1-CA 3.49Å; K254-T257 VanDerWaalsContact O-CB 3.23Å; K254-T257 WeakPolarHBondContact O-CB 3.39Å; K254-T257 PolarHBondContact O-N 3.31Å; K254-T257 PolarHBondContact O-OG1 3.04Å
255K78.4Confident81.3Confident128 Ų12870.4 Ų70.456%0.55737%0.366SS*.THydrogen-bonded Turntrans-50.4145.9169-173.3174.7-179.5-176.50110.1S245 D247 T257S245-K255 WeakPolarHBondContact O-CD 3.5Å; S245-K255 VanDerWaalsContact O-CE 3.25Å; S245-K255 WeakPolarHBondContact O-CE 3.4Å; D247-K255 WeakPolarHBondContact OD1-CB 3.5Å; D247-K255 PolarHBondContact OD1-N 3.28Å; K255-T257 PolarHBondContact O-N 2.69Å; K255-T257 VanDerWaalsContact O-N 3.15Å
256S77.3Confident81.9Confident86 Ų8667.5 Ų67.560%0.60134%0.344SS*.THydrogen-bonded Turntrans56.521.8-176.1730000115L244L244-S256 PolarHBondContact O-N 2.86Å
257T81.4Confident82.4Confident43 Ų4364.2 Ų64.226%0.26433%0.329SS..  trans-100.1138.1169-49.50000108.9L244 K254 K255L244-T257 PolarHBondContact N-O 3.17Å; L244-T257 VanDerWaalsContact N-O 3.13Å; K254-T257 VanDerWaalsContact O-CB 3.23Å; K254-T257 WeakPolarHBondContact O-CB 3.39Å; K254-T257 PolarHBondContact O-N 3.31Å; K254-T257 PolarHBondContact O-OG1 3.04Å; K255-T257 PolarHBondContact O-N 2.69Å; K255-T257 VanDerWaalsContact O-N 3.15Å
258E83.8Confident83.1Confident112 Ų11259 Ų5952%0.52330%0.301SS..EExtended strand (participates in β ladder)trans-72.2131.7171.8-71.5-177.3179.900111.2V196 V241V196-E258 HydrophobicContact CB-CB 4.04Å; V196-E258 WeakPolarHBondContact CB-O 3.48Å; V196-E258 PolarHBondContact N-O 3.15Å; V241-E258 HydrophobicContact CG1-CB 3.75Å; V241-E258 HydrophobicContact CG1-CG 4.1Å
259I84.8Confident84Confident3 Ų361.9 Ų61.92%0.01531%0.31CS..EExtended strand (participates in β ladder)trans-130.4136.6-178.1-66.5-161.8000110.5P193 V194 V241 V242 L244 L248 C253P193-I259 HydrophobicContact CB-CD1 4.24Å; P193-I259 HydrophobicContact CB-CG2 3.67Å; V194-I259 CarbonylContact O-C 3.59Å; V194-I259 WeakPolarHBondContact O-CA 3.43Å; V194-I259 WeakPolarHBondContact O-CG2 3.43Å; V241-I259 WeakPolarHBondContact CA-O 3.23Å; V242-I259 PolarHBondContact N-O 3.48Å; V242-I259 PolarHBondContact O-N 3.21Å; L244-I259 HydrophobicContact CD1-CD1 3.12Å; L244-I259 HydrophobicContact CD1-CG1 3.93Å; L244-I259 HydrophobicContact CD2-CD1 3.98Å; L244-I259 HydrophobicContact CD2-CG1 4.48Å; L244-I259 HydrophobicContact CG-CB 4.4Å; L244-I259 HydrophobicContact CG-CD1 3.5Å; L244-I259 HydrophobicContact CG-CG1 3.85Å; L248-I259 HydrophobicContact CD1-CD1 4.28Å; C253-I259 HydrophobicContact CB-CD1 3.39Å; C253-I259 WeakPolarHBondContact SG-CD1 3.43Å
260A85.8Confident85Confident22 Ų2254.5 Ų54.518%0.18228%0.278CS..EExtended strand (participates in β ladder)trans-87.1123.9165.100000109.2V194 V196 N240 K262V194-A260 PolarHBondContact N-O 2.87Å; V194-A260 PolarHBondContact O-N 2.91Å; V196-A260 HydrophobicContact CG2-CB 3.84Å; V196-A260 VanDerWaalsContact CG2-N 3.29Å; N240-A260 WeakPolarHBondContact O-CA 3.42Å; A260-K262 PolarHBondContact O-N 3.29Å
261V88.1Confident86.1Confident61 Ų6154.9 Ų54.937%0.3727%0.273SS..EExtended strand (participates in β ladder)trans-87.2109.8175-177.80000109.2I191 N240I191-V261 HydrophobicContact CG2-CG1 3.81Å; N240-V261 PolarHBondContact O-N 2.83Å
262K88.6Confident87.4Confident56 Ų5648.2 Ų48.224%0.24325%0.249CC..EExtended strand (participates in β ladder)trans-97.2135.2173.1-63-161.1179.6-157.30110.4K192 V194 E233 E236 A260K192-K262 HydrophobicContact CB-CB 4.45Å; K192-K262 PolarHBondContact N-O 3.33Å; K192-K262 PolarHBondContact O-N 2.8Å; V194-K262 HydrophobicContact CG2-CD 3.97Å; V194-K262 HydrophobicContact CG2-CG 3.97Å; E233-K262 IonicContact OE2-NZ 2.76Å; E233-K262 PolarHBondContact OE2-NZ 3.45Å; E236-K262 IonicContact OE2-NZ 3.09Å; A260-K262 PolarHBondContact O-N 3.29Å
263L91Very high88.6Confident97 Ų9750 Ų5051%0.50825%0.249SC..EExtended strand (participates in β ladder)trans-99.6133.2172.7-61.3-178.4000109.9V172 Y189 G190 I191V172-L263 HydrophobicContact CG1-CD2 4.07Å; Y189-L263 HydrophobicContact CD1-CB 4.19Å; Y189-L263 HydrophobicContact CG-CB 4.35Å; G190-L263 WeakPolarHBondContact O-CA 3.34Å; I191-L263 HydrophobicContact CG1-CD2 3.97Å
264I91.2Very high89.6Confident29 Ų2950.2 Ų50.215%0.14925%0.25CS..EExtended strand (participates in β ladder)trans-118.7123.1174-61.8166.5000107.8L121 Y189 G190 K192 M266L121-I264 HydrophobicContact CD1-CB 3.81Å; L121-I264 HydrophobicContact CD1-CD1 3.98Å; L121-I264 HydrophobicContact CD1-CG1 4.43Å; L121-I264 HydrophobicContact CD1-CG2 4.21Å; L121-I264 HydrophobicContact CD2-CD1 3.65Å; L121-I264 HydrophobicContact CG-CB 4.01Å; L121-I264 HydrophobicContact CG-CD1 3.69Å; L121-I264 HydrophobicContact CG-CG1 4.45Å; L121-I264 HydrophobicContact CG-CG2 3.93Å; Y189-I264 CarbonylContact C-O 3.53Å; Y189-I264 WeakPolarHBondContact CA-O 3.25Å; G190-I264 PolarHBondContact N-O 2.88Å; G190-I264 PolarHBondContact O-N 2.82Å; K192-I264 HydrophobicContact CB-CD1 4.2Å; K192-I264 HydrophobicContact CD-CD1 3.75Å; I264-M266 PolarHBondContact O-N 2.97Å
265E92.9Very high90.4Very high21 Ų2145.6 Ų45.610%0.09823%0.229CC..EExtended strand (participates in β ladder)trans-69133-177.8-164.5178.7177.400111.5V113 L117 Y189 R269V113-E265 HydrophobicContact CG1-CB 4.29Å; V113-E265 HydrophobicContact CG1-CG 3.8Å; L117-E265 HydrophobicContact CD1-CB 4.08Å; L117-E265 WeakPolarHBondContact CD1-O 3.42Å; Y189-E265 HydrophobicContact CD1-CB 3.79Å; Y189-E265 HydrophobicContact CD1-CG 4.03Å; Y189-E265 HydrophobicContact CE1-CB 3.82Å; Y189-E265 HydrophobicContact CE1-CG 3.87Å; E265-R269 WeakPolarHBondContact OE1-CD 3.47Å; E265-R269 VanDerWaalsContact OE1-CG 3.24Å; E265-R269 WeakPolarHBondContact OE1-CG 3.19Å; E265-R269 IonicContact OE1-CZ 3.46Å; E265-R269 IonicContact OE1-NE 3.35Å; E265-R269 PolarHBondContact OE1-NE 3.43Å; E265-R269 IonicContact OE1-NH2 2.68Å; E265-R269 PolarHBondContact OE1-NH2 3.07Å; E265-R269 IonicContact OE2-CZ 3.94Å; E265-R269 IonicContact OE2-NE 2.62Å; E265-R269 PolarHBondContact OE2-NE 3.47Å; E265-R269 IonicContact OE2-NH2 3.02Å; E265-R269 PolarHBondContact OE2-NH2 3.16Å
266M91.6Very high91.2Very high17 Ų1741.7 Ų41.78%0.08421%0.212CC..  trans-108.2-28.1179.9-65.6-179.764.100112.3Q126 F127 R171 H188 I264Q126-M266 HydrophobicContact CG-CE 4Å; Q126-M266 VanDerWaalsContact NE2-CE 3.3Å; Q126-M266 PolarHBondContact OE1-SD 3.24Å; F127-M266 HydrophobicContact CE1-CE 3.66Å; F127-M266 HydrophobicContact CE2-CE 4.17Å; F127-M266 HydrophobicContact CZ-CE 3.33Å; R171-M266 HydrophobicContact CG-SD 4.05Å; H188-M266 PolarHBondContact O-N 3.37Å; I264-M266 PolarHBondContact O-N 2.97Å
267G91.4Very high92.1Very high3 Ų337.7 Ų37.73%0.03118%0.184CC..  trans74.5174.2-171.700000113.6H188H188-G267 PolarHBondContact ND1-O 2.98Å; H188-G267 PolarHBondContact O-N 2.77Å
268P96.1Very high92.7Very high0 Ų036.7 Ų36.70%018%0.176CC..  cis-74.81711.733.4-34.6000113.1L38 D41 M42 V45 C108L38-P268 HydrophobicContact CD1-CB 3.67Å; L38-P268 HydrophobicContact CD1-CG 3.94Å; D41-P268 HydrophobicContact CB-CB 4.26Å; D41-P268 HydrophobicContact CB-CG 4.02Å; M42-P268 HydrophobicContact CG-CG 4.3Å; M42-P268 HydrophobicContact SD-CG 3.92Å; V45-P268 HydrophobicContact CG2-CG 4.41Å; C108-P268 WeakPolarHBondContact O-CA 3.24Å; C108-P268 WeakPolarHBondContact O-CB 3.45Å
269R96.8Very high93.1Very high91 Ų9136.3 Ų36.334%0.34318%0.175SC..EExtended strand (participates in β ladder)trans-106.4138.2168.8-58.6175.4-178172.51.3109.6Y107 C108 V113 F186 E265Y107-R269 CarbonylContact C-O 3.6Å; Y107-R269 VanDerWaalsContact CA-O 3.24Å; Y107-R269 WeakPolarHBondContact CA-O 3.28Å; C108-R269 HydrophobicContact CB-CB 3.96Å; C108-R269 HydrophobicContact CB-CG 4.32Å; C108-R269 PolarHBondContact N-O 2.96Å; C108-R269 PolarHBondContact O-N 3.48Å; C108-R269 VanDerWaalsContact O-N 3.07Å; V113-R269 HydrophobicContact CG2-CG 4.03Å; F186-R269 WeakPolarHBondContact O-CA 3.16Å; E265-R269 WeakPolarHBondContact OE1-CD 3.47Å; E265-R269 VanDerWaalsContact OE1-CG 3.24Å; E265-R269 WeakPolarHBondContact OE1-CG 3.19Å; E265-R269 IonicContact OE1-CZ 3.46Å; E265-R269 IonicContact OE1-NE 3.35Å; E265-R269 PolarHBondContact OE1-NE 3.43Å; E265-R269 IonicContact OE1-NH2 2.68Å; E265-R269 PolarHBondContact OE1-NH2 3.07Å; E265-R269 IonicContact OE2-CZ 3.94Å; E265-R269 IonicContact OE2-NE 2.62Å; E265-R269 PolarHBondContact OE2-NE 3.47Å; E265-R269 IonicContact OE2-NH2 3.02Å; E265-R269 PolarHBondContact OE2-NH2 3.16Å
270L97.5Very high93.4Very high6 Ų636.9 Ų36.93%0.03118%0.181CC..EExtended strand (participates in β ladder)trans-136.6135.7172.4-57.6161.5000110.3L38 M42 V104 Q106 Y107 D185 F186 L272L38-L270 HydrophobicContact CD1-CD2 3.95Å; L38-L270 HydrophobicContact CD2-CD2 3.8Å; L38-L270 HydrophobicContact CG-CD2 4.44Å; M42-L270 HydrophobicContact CE-CD1 4.04Å; M42-L270 HydrophobicContact SD-CD1 3.74Å; V104-L270 HydrophobicContact CG1-CD2 4.02Å; Q106-L270 WeakPolarHBondContact O-CA 3.36Å; Y107-L270 VanDerWaalsContact CB-CD2 3.46Å; D185-L270 CarbonylContact C-O 3.56Å; D185-L270 WeakPolarHBondContact CA-O 3.42Å; F186-L270 HydrophobicContact CB-CB 3.93Å; F186-L270 HydrophobicContact CB-CD1 4.48Å; F186-L270 HydrophobicContact CD1-CD1 4.27Å; F186-L270 HydrophobicContact CG-CD1 4.39Å; F186-L270 PolarHBondContact N-O 3.22Å; F186-L270 PolarHBondContact O-N 2.91Å; F186-L270 VanDerWaalsContact O-N 3.12Å; L270-L272 HydrophobicContact CB-CD2 4.05Å; L270-L272 HydrophobicContact CB-CG 4.03Å
271K97.8Very high93.4Very high45 Ų4537.6 Ų37.620%0.19618%0.18CC..EExtended strand (participates in β ladder)trans-105.5114.1162-171.4170-173.2178.70107.9L105 Q106 C183 D185L105-K271 HydrophobicContact CB-CB 4.44Å; L105-K271 HydrophobicContact CB-CG 4.4Å; L105-K271 HydrophobicContact CD1-CD 4.45Å; L105-K271 HydrophobicContact CD1-CG 4.32Å; L105-K271 PolarHBondContact N-O 2.96Å; Q106-K271 HydrophobicContact CB-CB 4.13Å; Q106-K271 PolarHBondContact N-O 3.18Å; Q106-K271 PolarHBondContact O-N 3.29Å; C183-K271 HydrophobicContact CB-CG 4.16Å; D185-K271 WeakPolarHBondContact OD1-CG 3.25Å
272L97.5Very high93Very high13 Ų1336.7 Ų36.77%0.06818%0.176CC..EExtended strand (participates in β ladder)trans-115.1135.1-172.7-58.1176000110.1L89 F102 K103 V104 C183 F184 L270L89-L272 HydrophobicContact CD2-CD1 4.03Å; L89-L272 HydrophobicContact CD2-CD2 4.23Å; F102-L272 HydrophobicContact CB-CB 4.39Å; F102-L272 HydrophobicContact CD1-CB 4.07Å; K103-L272 WeakPolarHBondContact O-CA 3.39Å; V104-L272 HydrophobicContact CB-CD2 4.23Å; V104-L272 HydrophobicContact CG1-CD2 4.22Å; V104-L272 HydrophobicContact CG2-CD2 3.73Å; C183-L272 CarbonylContact C-O 3.56Å; C183-L272 WeakPolarHBondContact CA-O 3.48Å; F184-L272 HydrophobicContact CB-CB 4.34Å; F184-L272 PolarHBondContact N-O 3.39Å; F184-L272 PolarHBondContact O-N 3.18Å; L270-L272 HydrophobicContact CB-CD2 4.05Å; L270-L272 HydrophobicContact CB-CG 4.03Å
273Q96Very high92.7Very high66 Ų6639.2 Ų39.231%0.30820%0.201SC..EExtended strand (participates in β ladder)trans-116.9123173.9-169.4179.935.500109.4F102 K103 L105 Y275F102-Q273 CarbonylContact C-O 3.53Å; F102-Q273 WeakPolarHBondContact CA-O 3.43Å; K103-Q273 PolarHBondContact N-O 3.02Å; K103-Q273 PolarHBondContact O-N 3.1Å; L105-Q273 HydrophobicContact CD1-CB 4.03Å; L105-Q273 HydrophobicContact CD2-CB 4.47Å; L105-Q273 HydrophobicContact CG-CB 4.14Å; Q273-Y275 PolarHBondContact O-N 3.27Å
274L96.3Very high92.4Very high6 Ų636 Ų363%0.03119%0.191CC..EExtended strand (participates in β ladder)trans-75.8118.4176.5-178.274.7000108.9L100 F102 H144 V148 F184 V277 Y288L100-L274 HydrophobicContact CB-CD1 4.22Å; F102-L274 HydrophobicContact CD1-CB 3.93Å; F102-L274 HydrophobicContact CD1-CD1 4.04Å; F102-L274 HydrophobicContact CD2-CD1 4.45Å; F102-L274 HydrophobicContact CE1-CB 3.8Å; F102-L274 HydrophobicContact CE1-CD1 3.71Å; F102-L274 HydrophobicContact CE1-CG 4.34Å; F102-L274 HydrophobicContact CE2-CD1 4.15Å; F102-L274 HydrophobicContact CG-CD1 4.41Å; F102-L274 HydrophobicContact CZ-CD1 3.78Å; H144-L274 HydrophobicContact CB-CD2 3.91Å; V148-L274 HydrophobicContact CG2-CD1 4.24Å; V148-L274 HydrophobicContact CG2-CD2 3.83Å; F184-L274 HydrophobicContact CE2-CB 4.15Å; L274-V277 HydrophobicContact CD1-CG2 4.19Å; L274-V277 HydrophobicContact CD2-CG2 3.91Å; L274-V277 HydrophobicContact CG-CG2 4.4Å; L274-Y288 HydrophobicContact CD2-CD1 4Å; L274-Y288 HydrophobicContact CD2-CE1 3.98Å; L274-Y288 HydrophobicContact CG-CD1 4.34Å; L274-Y288 HydrophobicContact CG-CE1 4.17Å
275Y94.7Very high92.4Very high52 Ų5238.3 Ų38.320%0.20421%0.208CC..EExtended strand (participates in β ladder)trans-112.1-20.7177.769.8-93.9000113.4S101 F102 K103 Q273 H289 A290S101-Y275 VanDerWaalsContact CB-CZ 3.47Å; S101-Y275 WeakPolarHBondContact CB-OH 3.38Å; S101-Y275 VanDerWaalsContact O-CD1 3.26Å; S101-Y275 WeakPolarHBondContact O-CD1 3.45Å; S101-Y275 WeakPolarHBondContact O-CE1 3.45Å; S101-Y275 PolarHBondContact O-N 2.91Å; S101-Y275 VanDerWaalsContact O-N 3.12Å; F102-Y275 VanDerWaalsContact C-CE1 3.43Å; K103-Y275 HydrophobicContact CB-CD1 4.09Å; K103-Y275 HydrophobicContact CB-CE1 4.45Å; Q273-Y275 PolarHBondContact O-N 3.27Å; Y275-H289 CarbonylContact O-C 3.55Å; Y275-H289 WeakPolarHBondContact O-CA 3.48Å; Y275-A290 PolarHBondContact O-N 3.12Å
276K95.2Very high92.4Very high46 Ų4640.5 Ų40.520%0.222%0.223CC..EExtended strand (participates in β ladder)trans-152.5136.6-176.9-174.1178.9-163-170.50113S101 E278 V286 Y288S101-K276 PolarHBondContact N-O 3.34Å; S101-K276 PolarHBondContact O-N 3.44Å; K276-E278 HydrophobicContact CD-CG 4.03Å; K276-E278 WeakPolarHBondContact CE-OE1 3.24Å; K276-E278 HydrophobicContact CG-CG 4.07Å; K276-E278 IonicContact NZ-OE1 2.78Å; K276-E278 PolarHBondContact NZ-OE1 3.4Å; K276-V286 VanDerWaalsContact CE-CG2 3.42Å; K276-V286 HydrophobicContact CG-CG1 4.02Å; K276-Y288 CarbonylContact C-O 3.56Å; K276-Y288 WeakPolarHBondContact CA-O 3.01Å
277V95.7Very high92.4Very high2 Ų245 Ų451%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-120.2125.7169179.30000108.5L100 L147 L274 V286 L287 Y288L100-V277 HydrophobicContact CD2-CB 4.34Å; L100-V277 HydrophobicContact CD2-CG1 3.91Å; L100-V277 HydrophobicContact CD2-CG2 3.8Å; L147-V277 HydrophobicContact CD2-CG1 3.46Å; L147-V277 VanDerWaalsContact CD2-CG1 3.46Å; L147-V277 HydrophobicContact CD2-CG2 4.45Å; L274-V277 HydrophobicContact CD1-CG2 4.19Å; L274-V277 HydrophobicContact CD2-CG2 3.91Å; L274-V277 HydrophobicContact CG-CG2 4.4Å; V277-V286 CarbonylContact O-C 3.56Å; V277-V286 WeakPolarHBondContact O-CA 3.45Å; V277-V286 WeakPolarHBondContact O-CG1 3.42Å; V277-L287 HydrophobicContact CB-CB 4.39Å; V277-L287 HydrophobicContact CG1-CB 4.05Å; V277-L287 HydrophobicContact CG1-CD1 4.21Å; V277-L287 PolarHBondContact O-N 2.86Å; V277-Y288 HydrophobicContact CG2-CD1 4.08Å; V277-Y288 HydrophobicContact CG2-CG 4.42Å; V277-Y288 PolarHBondContact N-O 3.06Å; V277-Y288 PolarHBondContact O-N 3.17Å
278E94.6Very high92.4Very high22 Ų2247.7 Ų47.710%0.10326%0.256CS..EExtended strand (participates in β ladder)trans-116.5136.9174.9-61175.6141.800109.5R90 T99 K276 S282 P285 V286R90-E278 IonicContact NH2-OE2 3.2Å; T99-E278 PolarHBondContact N-O 2.76Å; T99-E278 PolarHBondContact O-N 3.39Å; K276-E278 HydrophobicContact CD-CG 4.03Å; K276-E278 WeakPolarHBondContact CE-OE1 3.24Å; K276-E278 HydrophobicContact CG-CG 4.07Å; K276-E278 IonicContact NZ-OE1 2.78Å; K276-E278 PolarHBondContact NZ-OE1 3.4Å; E278-S282 WeakPolarHBondContact OE2-CA 3.28Å; E278-P285 WeakPolarHBondContact CA-O 3.37Å; E278-V286 HydrophobicContact CG-CG2 4.39Å
279E92.2Very high92.2Very high105 Ų10549.9 Ų49.949%0.49127%0.266SS..SBendtrans-68.4144.8162.5-167.5179.3-177.400108.9G284 P285 L287E279-G284 WeakPolarHBondContact O-CA 3.34Å; E279-G284 PolarHBondContact O-N 2.66Å; E279-P285 HydrophobicContact CB-CG 3.96Å; E279-P285 PolarHBondContact N-O 3.07Å; E279-P285 WeakPolarHBondContact OE2-CG 3.43Å; E279-L287 HydrophobicContact CB-CD1 4.24Å; E279-L287 HydrophobicContact CB-CG 4.31Å
280G90.3Very high91.8Very high14 Ų1447.1 Ų47.114%0.14426%0.263CS..THydrogen-bonded Turntrans84.8-173.1179.300000115.2R96 G97 P98 T99 S282R96-G280 CarbonylContact O-C 3.54Å; R96-G280 WeakPolarHBondContact O-CA 3Å; G97-G280 VanDerWaalsContact CA-O 3.28Å; G97-G280 WeakPolarHBondContact CA-O 3.45Å; P98-G280 CarbonylContact C-O 3.55Å; T99-G280 PolarHBondContact N-O 2.85Å; T99-G280 PolarHBondContact OG1-O 3.22Å; G280-S282 PolarHBondContact O-N 2.72Å
281F85.8Confident90.9Very high38 Ų3853.8 Ų53.817%0.16729%0.292CS..THydrogen-bonded Turntrans-93.663.1178.7-166.1-100.2000110.9L62 V66 F77 M92 V94 S283L62-F281 HydrophobicContact CD1-CE1 4.29Å; L62-F281 HydrophobicContact CD1-CZ 3.98Å; L62-F281 HydrophobicContact CD2-CD1 4.24Å; L62-F281 HydrophobicContact CD2-CE1 3.31Å; L62-F281 HydrophobicContact CD2-CZ 3.74Å; L62-F281 HydrophobicContact CG-CE1 3.55Å; L62-F281 HydrophobicContact CG-CZ 3.76Å; V66-F281 HydrophobicContact CG2-CD1 4.46Å; V66-F281 HydrophobicContact CG2-CE1 3.57Å; V66-F281 HydrophobicContact CG2-CE2 4.13Å; V66-F281 HydrophobicContact CG2-CZ 3.38Å; F77-F281 AromaticContact CD2-CE2 3.94Å; F77-F281 HydrophobicContact CD2-CE2 3.94Å; F77-F281 AromaticContact CD2-CZ 3.87Å; F77-F281 HydrophobicContact CD2-CZ 3.87Å; F77-F281 HydrophobicContact CE2-CE2 4.19Å; F77-F281 AromaticContact CE2-CZ 3.92Å; F77-F281 HydrophobicContact CE2-CZ 3.92Å; M92-F281 HydrophobicContact CB-CD2 4.32Å; M92-F281 HydrophobicContact CB-CE2 4.06Å; M92-F281 HydrophobicContact CE-CB 4.35Å; M92-F281 HydrophobicContact CE-CD1 3.83Å; M92-F281 HydrophobicContact CE-CD2 3.38Å; M92-F281 HydrophobicContact CE-CE1 3.9Å; M92-F281 HydrophobicContact CE-CE2 3.41Å; M92-F281 VanDerWaalsContact CE-CE2 3.41Å; M92-F281 HydrophobicContact CE-CG 3.58Å; M92-F281 HydrophobicContact CE-CZ 3.68Å; M92-F281 HydrophobicContact SD-CD2 4.45Å; M92-F281 HydrophobicContact SD-CE2 3.94Å; M92-F281 HydrophobicContact SD-CZ 4.1Å; V94-F281 HydrophobicContact CG2-CE2 4.15Å; F281-S283 VanDerWaalsContact C-N 3.31Å; F281-S283 PolarHBondContact O-N 3.48Å
282S80.5Confident89.5Confident42 Ų4255 Ų5529%0.29430%0.3SS..THydrogen-bonded Turntrans68.514-170.6-19.80000116.6R90 M92 T99 E278 G280R90-S282 PolarHBondContact NH2-OG 2.88Å; M92-S282 WeakPolarHBondContact CE-OG 3.42Å; T99-S282 PolarHBondContact OG1-N 3.29Å; E278-S282 WeakPolarHBondContact OE2-CA 3.28Å; G280-S282 PolarHBondContact O-N 2.72Å
283S81.7Confident87.4Confident108 Ų10857.1 Ų57.176%0.75532%0.316SS*.THydrogen-bonded Turntrans-128.57.8-171.163.10000115F281F281-S283 VanDerWaalsContact C-N 3.31Å; F281-S283 PolarHBondContact O-N 3.48Å
284G85.3Confident84.9Confident29 Ų2962.6 Ų62.630%0.29934%0.342SS..SBendtrans-111.2-175.4179.900000113.8E279E279-G284 WeakPolarHBondContact O-CA 3.34Å; E279-G284 PolarHBondContact O-N 2.66Å
285P91.3Very high81.8Confident78 Ų7870 Ų7051%0.50638%0.376SS..  trans-61.1151.5177.526.4-36.1000112.2E278 E279E278-P285 WeakPolarHBondContact CA-O 3.37Å; E279-P285 HydrophobicContact CB-CG 3.96Å; E279-P285 PolarHBondContact N-O 3.07Å; E279-P285 WeakPolarHBondContact OE2-CG 3.43Å
286V92.8Very high78.9Confident68 Ų6874.3 Ų74.341%0.41240%0.398SS..EExtended strand (participates in β ladder)trans-84.9116.2175.9-174.90000108K276 V277 E278 Y288 H289K276-V286 VanDerWaalsContact CE-CG2 3.42Å; K276-V286 HydrophobicContact CG-CG1 4.02Å; V277-V286 CarbonylContact O-C 3.56Å; V277-V286 WeakPolarHBondContact O-CA 3.45Å; V277-V286 WeakPolarHBondContact O-CG1 3.42Å; E278-V286 HydrophobicContact CG-CG2 4.39Å; V286-Y288 VanDerWaalsContact CG1-O 3.32Å; V286-Y288 WeakPolarHBondContact CG1-O 3.27Å; V286-H289 HydrophobicContact CG1-CB 3.99Å
287L90.8Very high75.8Confident110 Ų11080.4 Ų80.458%0.57643%0.432SS*.EExtended strand (participates in β ladder)trans-86-29.3-179.2-59.2178.6000112.1V277 E279V277-L287 HydrophobicContact CB-CB 4.39Å; V277-L287 HydrophobicContact CG1-CB 4.05Å; V277-L287 HydrophobicContact CG1-CD1 4.21Å; V277-L287 PolarHBondContact O-N 2.86Å; E279-L287 HydrophobicContact CB-CD1 4.24Å; E279-L287 HydrophobicContact CB-CG 4.31Å
288Y91.4Very high72.9Confident61 Ų6183.5 Ų83.524%0.23946%0.458CS..EExtended strand (participates in β ladder)trans-148.2138.5178171-98.3000109.6H144 L274 K276 V277 V286 A290H144-Y288 HydrophobicContact CB-CD1 4.15Å; H144-Y288 HydrophobicContact CB-CD2 4.12Å; H144-Y288 HydrophobicContact CB-CE2 4.49Å; H144-Y288 HydrophobicContact CB-CG 3.93Å; H144-Y288 AromaticContact CE1-CE2 3.87Å; H144-Y288 AromaticContact CG-CE2 3.95Å; H144-Y288 AromaticContact ND1-CD2 3.87Å; H144-Y288 AromaticContact ND1-CE2 3.6Å; L274-Y288 HydrophobicContact CD2-CD1 4Å; L274-Y288 HydrophobicContact CD2-CE1 3.98Å; L274-Y288 HydrophobicContact CG-CD1 4.34Å; L274-Y288 HydrophobicContact CG-CE1 4.17Å; K276-Y288 CarbonylContact C-O 3.56Å; K276-Y288 WeakPolarHBondContact CA-O 3.01Å; V277-Y288 HydrophobicContact CG2-CD1 4.08Å; V277-Y288 HydrophobicContact CG2-CG 4.42Å; V277-Y288 PolarHBondContact N-O 3.06Å; V277-Y288 PolarHBondContact O-N 3.17Å; V286-Y288 VanDerWaalsContact CG1-O 3.32Å; V286-Y288 WeakPolarHBondContact CG1-O 3.27Å; Y288-A290 HydrophobicContact CE1-CB 4.35Å
289H92.3Very high69.7Low45 Ų4591.6 Ų91.621%0.20850%0.496CS..EExtended strand (participates in β ladder)trans-145.6116.7173.6-164.5-92.6000109.6Y275 V286 F291 N292 S293Y275-H289 CarbonylContact O-C 3.55Å; Y275-H289 WeakPolarHBondContact O-CA 3.48Å; V286-H289 HydrophobicContact CG1-CB 3.99Å; H289-F291 AromaticContact CE1-CD2 3.59Å; H289-F291 PolarHBondContact O-N 3.31Å; H289-F291 VanDerWaalsContact O-N 3.15Å; H289-N292 HydrophobicContact CB-CB 4.01Å; H289-N292 PolarHBondContact ND1-OD1 3.34Å; H289-N292 PolarHBondContact O-N 3.1Å; H289-S293 PolarHBondContact O-OG 3.4Å
290A87.5Confident66.7Low34 Ų3495.6 Ų95.628%0.28151%0.514SS..G310 helixtrans-56.9-35.7-173.800000112.7Y275 Y288 S293Y275-A290 PolarHBondContact O-N 3.12Å; Y288-A290 HydrophobicContact CE1-CB 4.35Å; A290-S293 PolarHBondContact O-OG 3.25Å
291F78.7Confident64.6Low146 Ų146101 Ų10164%0.6455%0.547SS*.G310 helixtrans-82.6-8.6180-54.1-75.1000114.7H289H289-F291 AromaticContact CE1-CD2 3.59Å; H289-F291 PolarHBondContact O-N 3.31Å; H289-F291 VanDerWaalsContact O-N 3.15Å
292N69Low61.8Low69 Ų69102.6 Ų102.637%0.36957%0.574SS.*G310 helixtrans-99-10.1179.7-63.48.5000112.4H289 E294 H295 Q296H289-N292 HydrophobicContact CB-CB 4.01Å; H289-N292 PolarHBondContact ND1-OD1 3.34Å; H289-N292 PolarHBondContact O-N 3.1Å; N292-E294 PolarHBondContact O-N 2.88Å; N292-H295 PolarHBondContact O-N 3.35Å; N292-Q296 PolarHBondContact O-N 3.49Å
293S53.8Low59.7Low58 Ų58104.9 Ų104.941%0.40660%0.596SS.*THydrogen-bonded Turntrans-59.1-27.5-179-23.70000112.8H289 A290 H295H289-S293 PolarHBondContact O-OG 3.4Å; A290-S293 PolarHBondContact O-OG 3.25Å; S293-H295 VanDerWaalsContact C-N 3.28Å; S293-H295 PolarHBondContact O-N 3.23Å
294E42.7Very low57.5Low182 Ų182106.1 Ų106.185%0.8560%0.604SS**THydrogen-bonded Turntrans-73.5-17.9175.7-66.3-176.4166.900113.3N292N292-E294 PolarHBondContact O-N 2.88Å
295H32.3Very low54.9Low160 Ų160109.7 Ų109.774%0.74162%0.621SS**THydrogen-bonded Turntrans-111.9-2.2-177.7-91.7-70.6000115.1N292 S293N292-H295 PolarHBondContact O-N 3.35Å; S293-H295 VanDerWaalsContact C-N 3.28Å; S293-H295 PolarHBondContact O-N 3.23Å
296Q32.6Very low52.5Low144 Ų144113.4 Ų113.467%0.67364%0.635SS**SBendtrans-116.911.9-177.9-67-173.419.400114.9N292N292-Q296 PolarHBondContact O-N 3.49Å
297L31.1Very low50Low173 Ų173114.8 Ų114.891%0.90664%0.644SS**SBendtrans-77.2-2.8158.6-80.9167.9000112.8
298A35.3Very low48Very low67 Ų67115.9 Ų115.955%0.55465%0.649SS**SBendtrans-117.6129.4163.300000108.8
299E27.2Very low45.8Very low193 Ų193117.3 Ų117.390%0.90267%0.665SS**  trans98.197.5166.7-54.3-172.6174.700118
300Q28.3Very low43.7Very low188 Ų188122 Ų12288%0.87969%0.687SS**  trans-48.7170.1157.6-79.9-1636.900115.3
301P47Very low42Very low127 Ų127126.4 Ų126.483%0.82570%0.702SS**  trans-93.2140.3-148.835.6-31.7000113.7
302G26Very low40.7Very low72 Ų72129 Ų12974%0.74271%0.708SS**  trans172.2111.4167.500000114.2
303A36.3Very low40Very low91 Ų91133.2 Ų133.275%0.75272%0.723SS**  trans55.689.2154.600000118.2
304S35.9Very low40.3Very low133 Ų133139.2 Ų139.293%0.9374%0.737SS**  trans-135.270.8146.8-80.70000110.4L306S304-L306 PolarHBondContact O-N 3.14Å
305T31.2Very low41.1Very low105 Ų105138.1 Ų138.164%0.64473%0.729SS**  trans-52.9121.4167-50.70000111.5V307T305-V307 WeakPolarHBondContact O-CG2 3Å; T305-V307 PolarHBondContact O-N 2.94Å
306L40.7Very low42.6Very low156 Ų156140.4 Ų140.482%0.81773%0.731SS**  trans37.676.3140.4-52.8169.1000118.2S304S304-L306 PolarHBondContact O-N 3.14Å
307V39.8Very low43.9Very low97 Ų97140.9 Ų140.959%0.58873%0.731SS**  trans-118.2-6.6166.8-159.50000114.3T305T305-V307 WeakPolarHBondContact O-CG2 3Å; T305-V307 PolarHBondContact O-N 2.94Å
308I48.2Very low45.3Very low132 Ų132139.2 Ų139.268%0.67772%0.719SS**Hα-helixtrans-85.7-20.9-167.3-52.1-179.1000116E310I308-E310 PolarHBondContact O-N 3.4Å
309P45.1Very low46.5Very low91 Ų91138.9 Ų138.959%0.59172%0.716SS**Hα-helixtrans-72.6-29.4178.9-17.531.1000114.7
310E48.2Very low48.2Very low143 Ų143133.9 Ų133.967%0.66870%0.698SS**Hα-helixtrans-82.4-38.3-171.9-68.5-154.2139.600113.9I308 R312 K313 R314I308-E310 PolarHBondContact O-N 3.4Å; E310-R312 VanDerWaalsContact C-N 3.31Å; E310-R312 PolarHBondContact O-N 3.47Å; E310-K313 PolarHBondContact O-N 2.96Å; E310-R314 PolarHBondContact O-N 3.48Å
311Q51.6Low49.5Very low128 Ų128132.7 Ų132.760%0.59869%0.69SS**Hα-helixtrans-66-33.5180-68.8-172.3-2.300112.5R314 K315Q311-R314 PolarHBondContact O-N 3.33Å; Q311-K315 PolarHBondContact O-N 2.8Å; Q311-K315 VanDerWaalsContact O-N 3.16Å
312R52Low50.2Low201 Ų201131 Ų13176%0.75868%0.678SS**Hα-helixtrans-69-35174.7-93-179165.2175.4-1.8112.9E310 R316E310-R312 VanDerWaalsContact C-N 3.31Å; E310-R312 PolarHBondContact O-N 3.47Å; R312-R316 PolarHBondContact O-N 3.06Å
313K54.5Low51.7Low157 Ų157130.3 Ų130.368%0.68367%0.665SS**Hα-helixtrans-69.3-37.1173.5-83.3-178.1178175.20111.9E310 R316 K317E310-K313 PolarHBondContact O-N 2.96Å; K313-R316 PolarHBondContact O-N 3Å; K313-K317 PolarHBondContact O-N 3.07Å
314R59.7Low52.7Low184 Ų184130 Ų13069%0.69465%0.654SS**Hα-helixtrans-64.8-46.8177.5-77.1-177.1170.2178.1-1.1112.6E310 Q311 R316 K317 Q318E310-R314 PolarHBondContact O-N 3.48Å; Q311-R314 PolarHBondContact O-N 3.33Å; R314-R316 VanDerWaalsContact C-N 3.3Å; R314-R316 PolarHBondContact O-N 2.82Å; R314-K317 PolarHBondContact O-N 3.13Å; R314-Q318 PolarHBondContact O-N 3.06Å
315K61Low53.7Low159 Ų159131.7 Ų131.769%0.69164%0.644SS**Hα-helixtrans-62.1-35.6177.4-71.9-172.2177.3-176.60112.8Q311 A319Q311-K315 PolarHBondContact O-N 2.8Å; Q311-K315 VanDerWaalsContact O-N 3.16Å; K315-A319 PolarHBondContact O-N 3.44Å; K315-A319 VanDerWaalsContact O-N 3.13Å
316R62.8Low54.9Low208 Ų208135.4 Ų135.479%0.78565%0.652SS**Hα-helixtrans-71.8-34.8179.3-149.9174.3-175.4-178.3-0.3113.1R312 K313 R314 T320R312-R316 PolarHBondContact O-N 3.06Å; K313-R316 PolarHBondContact O-N 3Å; R314-R316 VanDerWaalsContact C-N 3.3Å; R314-R316 PolarHBondContact O-N 2.82Å; R316-T320 PolarHBondContact O-N 2.98Å; R316-T320 PolarHBondContact O-OG1 3.1Å
317K59.8Low55.5Low153 Ų153136.1 Ų136.167%0.66565%0.648SS**Hα-helixtrans-72.3-35.3174.2-73.5-173.4177.3-173.70112.6K313 R314 T320 K321K313-K317 PolarHBondContact O-N 3.07Å; R314-K317 PolarHBondContact O-N 3.13Å; K317-T320 WeakPolarHBondContact CA-OG1 3.37Å; K317-T320 PolarHBondContact O-OG1 3.16Å; K317-K321 WeakPolarHBondContact O-CG 3.47Å; K317-K321 PolarHBondContact O-N 2.74Å
318Q60.5Low56.2Low139 Ų139138 Ų13865%0.6565%0.65SS**Hα-helixtrans-66.6-44.3174.7-96.1172.5-11.100111.8R314 T320 K321 T322R314-Q318 PolarHBondContact O-N 3.06Å; Q318-T320 VanDerWaalsContact C-N 3.29Å; Q318-T320 PolarHBondContact O-N 2.55Å; Q318-K321 PolarHBondContact O-N 2.86Å; Q318-T322 PolarHBondContact O-N 3.43Å; Q318-T322 VanDerWaalsContact O-N 3.09Å; Q318-T322 PolarHBondContact O-OG1 3.24Å
319A59.9Low56.3Low60 Ų60136.7 Ų136.750%0.49665%0.651SS.*Hα-helixtrans-63.7-31.2179.100000113.6K315 T322 A323K315-A319 PolarHBondContact O-N 3.44Å; K315-A319 VanDerWaalsContact O-N 3.13Å; A319-T322 PolarHBondContact O-OG1 3.29Å; A319-A323 WeakPolarHBondContact O-CB 3.45Å; A319-A323 PolarHBondContact O-N 3.4Å
320T63.6Low56.6Low87 Ų87136.6 Ų136.653%0.53466%0.657SS.*Hα-helixtrans-75.3-37.5174.818.60000112.1R316 K317 Q318 A323 V324R316-T320 PolarHBondContact O-N 2.98Å; R316-T320 PolarHBondContact O-OG1 3.1Å; K317-T320 WeakPolarHBondContact CA-OG1 3.37Å; K317-T320 PolarHBondContact O-OG1 3.16Å; Q318-T320 VanDerWaalsContact C-N 3.29Å; Q318-T320 PolarHBondContact O-N 2.55Å; T320-A323 PolarHBondContact O-N 3.49Å; T320-V324 WeakPolarHBondContact O-CG2 3.26Å; T320-V324 PolarHBondContact O-N 3.38Å; T320-V324 VanDerWaalsContact O-N 3.15Å
321K56.4Low56.8Low163 Ų163137.3 Ų137.371%0.70967%0.665SS**Hα-helixtrans-66.7-38.8176.9-75.1-172.2175.7-169.60113K317 Q318 K325K317-K321 WeakPolarHBondContact O-CG 3.47Å; K317-K321 PolarHBondContact O-N 2.74Å; Q318-K321 PolarHBondContact O-N 2.86Å; K321-K325 PolarHBondContact O-N 3.27Å
322T61.7Low56.7Low91 Ų91139.4 Ų139.456%0.55868%0.675SS**Hα-helixtrans-70.3-32.9175.131.40000112.9Q318 A319 K326Q318-T322 PolarHBondContact O-N 3.43Å; Q318-T322 VanDerWaalsContact O-N 3.09Å; Q318-T322 PolarHBondContact O-OG1 3.24Å; A319-T322 PolarHBondContact O-OG1 3.29Å; T322-K326 PolarHBondContact O-N 3.15Å
323A57.4Low56.4Low58 Ų58137.3 Ų137.348%0.47968%0.679SS.*Hα-helixtrans-69.3-34.5176.300000113.1A319 T320A319-A323 WeakPolarHBondContact O-CB 3.45Å; A319-A323 PolarHBondContact O-N 3.4Å; T320-A323 PolarHBondContact O-N 3.49Å
324V56.7Low55.8Low85 Ų85137.4 Ų137.452%0.51569%0.687SS.*Hα-helixtrans-73.1-41.3177.2176.10000111.4T320 K326 K327T320-V324 WeakPolarHBondContact O-CG2 3.26Å; T320-V324 PolarHBondContact O-N 3.38Å; T320-V324 VanDerWaalsContact O-N 3.15Å; V324-K326 VanDerWaalsContact C-N 3.31Å; V324-K326 PolarHBondContact O-N 3.49Å; V324-K327 PolarHBondContact O-N 3.11Å; V324-K327 VanDerWaalsContact O-N 3.16Å
325K56.1Low54.8Low168 Ų168137.1 Ų137.173%0.7369%0.693SS**Hα-helixtrans-63.9-31177.8-80.8-169.6171.2-1680114K321 K327 P329K321-K325 PolarHBondContact O-N 3.27Å; K325-K327 VanDerWaalsContact C-N 3.28Å; K325-K327 PolarHBondContact O-N 3.19Å; K325-P329 WeakPolarHBondContact O-CD 3.43Å
326K57.5Low54.1Low184 Ų184142.3 Ų142.380%0.872%0.719SS**THydrogen-bonded Turntrans-73.9-13.4176.8-81.1-169.3174.7-171.70114.3T322 V324T322-K326 PolarHBondContact O-N 3.15Å; V324-K326 VanDerWaalsContact C-N 3.31Å; V324-K326 PolarHBondContact O-N 3.49Å
327K53Low53.7Low171 Ų171139 Ų13974%0.74372%0.716SS**THydrogen-bonded Turntrans-97.8-11.2-178.9-79.9-168.4172.3-169.40114.9V324 K325V324-K327 PolarHBondContact O-N 3.11Å; V324-K327 VanDerWaalsContact O-N 3.16Å; K325-K327 VanDerWaalsContact C-N 3.28Å; K325-K327 PolarHBondContact O-N 3.19Å
328Q54Low53.3Low135 Ų135138.3 Ų138.363%0.63172%0.719SS**SBendtrans-84-31.9-175.4-77178.8-26.600116.1A330Q328-A330 VanDerWaalsContact C-N 3.26Å; Q328-A330 PolarHBondContact O-N 2.94Å; Q328-A330 VanDerWaalsContact O-N 3.16Å
329P51.2Low52.9Low106 Ų106138.2 Ų138.269%0.68872%0.722SS**THydrogen-bonded Turntrans-86.319.4-17532.4-32.8000115K325K325-P329 WeakPolarHBondContact O-CD 3.43Å
330A50.7Low52.5Low88 Ų88142.8 Ų142.873%0.72774%0.736SS**THydrogen-bonded Turntrans-102.81.1177.200000114.2Q328Q328-A330 VanDerWaalsContact C-N 3.26Å; Q328-A330 PolarHBondContact O-N 2.94Å; Q328-A330 VanDerWaalsContact O-N 3.16Å
331L52.6Low51.8Low158 Ų158146.3 Ų146.383%0.82775%0.748SS**SBendtrans-118.9-0.5-174.2-80.7161.5000115.3
332E49.7Very low51.5Low173 Ų173145.2 Ų145.281%0.80875%0.751SS**SBendtrans-107.53.3-176.7-78.5-178.2170.200115.6
333N45.4Very low50.8Low156 Ų156149.1 Ų149.183%0.83477%0.765SS**SBendtrans-116.657.3178.2-76.1-0.5000112.5
334N42.5Very low50.3Low160 Ų160156.1 Ų156.186%0.85679%0.787SS**  trans-15547.7164.7-127.917.6000112.8
335E38.8Very low49.8Very low177 Ų177162 Ų16283%0.82781%0.809SS**  trans-140.594.7162.9-70.2-170.6164.800107.9
336H45.9Very low49.2Very low268 Ų268161.5 Ų161.5100%1.24182%0.817SS**  trans179.40136.2-85.9-38.9000111

Retrieved 336 of 336 residues in 291.3 ms (Link to these results)

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