A0A077Z8N3_TRITR Loading...

RNA:RNP complex 1 interacting phosphatase

AlphaFold DB , UniProt , Accession A0A077Z8N3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 366 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.8Very low72.6Confident237 Ų237114.8 Ų114.8100%1.16756%0.558SS**  01050-96.9-177.5169.300109.5R3M1-R3 PolarHBondContact O-N 3.49Å; M1-R3 VanDerWaalsContact O-N 3.13Å
2V49.4Very low73.9Confident149 Ų149111.3 Ų111.390%0.90353%0.534SS*.  trans-69.7107.4168.1-178.80000106.4S4V2-S4 PolarHBondContact O-N 2.76Å; V2-S4 VanDerWaalsContact O-N 3.1Å
3R54.1Low75.3Confident206 Ų206102.9 Ų102.978%0.77749%0.494SS*.  trans-56.2122.3173.8-75.5-177177.2169.6-0.1107.4M1 K5M1-R3 PolarHBondContact O-N 3.49Å; M1-R3 VanDerWaalsContact O-N 3.13Å; R3-K5 PolarHBondContact O-N 2.96Å; R3-K5 VanDerWaalsContact O-N 3.12Å
4S63.1Low76.4Confident74 Ų74102.6 Ų102.652%0.51749%0.491SS..  trans-57.4120.8177.4176.20000109.7V2 R6 N7V2-S4 PolarHBondContact O-N 2.76Å; V2-S4 VanDerWaalsContact O-N 3.1Å; S4-R6 PolarHBondContact O-N 3.27Å; S4-R6 VanDerWaalsContact OG-CB 3.29Å; S4-R6 WeakPolarHBondContact OG-CB 3.43Å; S4-R6 PolarHBondContact OG-N 3.06Å; S4-N7 PolarHBondContact O-N 3.14Å
5K72.2Confident77.3Confident158 Ų15897.9 Ų97.969%0.68747%0.473SS*.G310 helixtrans-53.2-23.1173.8-72-173.2177.3-177.20111.7R3 N7 Q8 R77R3-K5 PolarHBondContact O-N 2.96Å; R3-K5 VanDerWaalsContact O-N 3.12Å; K5-N7 PolarHBondContact O-N 3.5Å; K5-N7 VanDerWaalsContact O-N 3.12Å; K5-Q8 PolarHBondContact O-N 2.83Å; K5-R77 PolarHBondContact O-NH1 3.24Å
6R76.6Confident78.2Confident161 Ų16192.1 Ų92.161%0.60845%0.445SS*.G310 helixtrans-54.8-30.5179.1-163.7173.2-177.6176.20.3113.8S4 R36 R77S4-R6 PolarHBondContact O-N 3.27Å; S4-R6 VanDerWaalsContact OG-CB 3.29Å; S4-R6 WeakPolarHBondContact OG-CB 3.43Å; S4-R6 PolarHBondContact OG-N 3.06Å; R6-R36 PolarHBondContact O-NH2 3.38Å; R6-R77 HydrophobicContact CG-CG 4.45Å
7N82.6Confident79.1Confident71 Ų7189.6 Ų89.638%0.3844%0.439SS..G310 helixtrans-111.512.7-174.6-65.2-16.5000113.3S4 K5 R36 L39 K42S4-N7 PolarHBondContact O-N 3.14Å; K5-N7 PolarHBondContact O-N 3.5Å; K5-N7 VanDerWaalsContact O-N 3.12Å; N7-R36 PolarHBondContact OD1-NH2 3.42Å; N7-L39 VanDerWaalsContact C-CD2 3.45Å; N7-L39 WeakPolarHBondContact O-CD2 3.36Å; N7-K42 VanDerWaalsContact O-CE 3.32Å; N7-K42 WeakPolarHBondContact O-CE 3.19Å; N7-K42 PolarHBondContact O-NZ 2.81Å
8Q87.8Confident80Confident88 Ų8886.6 Ų86.641%0.41143%0.431SS..PPolyproline II helixtrans-88.3138.1175.8-70.8176.5-18.400110.7K5K5-Q8 PolarHBondContact O-N 2.83Å
9L89.7Confident80.8Confident49 Ų4983.7 Ų83.726%0.25742%0.417SS..PPolyproline II helixtrans-63.2144.5170.5-74.5172.5000109.7V11 L35 L39 K42 L43L9-V11 PolarHBondContact O-N 3.4Å; L9-L35 HydrophobicContact CD2-CD1 3.53Å; L9-L39 HydrophobicContact CD2-CB 4.21Å; L9-L39 WeakPolarHBondContact CD2-O 3.01Å; L9-K42 HydrophobicContact CD1-CB 3.98Å; L9-K42 HydrophobicContact CG-CB 4.28Å; L9-L43 HydrophobicContact CD1-CD2 3.69Å; L9-L43 HydrophobicContact CD1-CG 4.3Å; L9-L43 HydrophobicContact CD2-CD2 4.24Å; L9-L43 HydrophobicContact CD2-CG 4.48Å
10P90.9Very high81.6Confident10 Ų1079.8 Ų79.87%0.06540%0.398CS..PPolyproline II helixtrans-61.6137.4170.2-08.5000110.6R12 W13 L35 Y78 T134P10-R12 PolarHBondContact O-N 3.46Å; P10-W13 HydrophobicContact CB-CB 3.95Å; P10-W13 HydrophobicContact CB-CG 4.48Å; P10-W13 HydrophobicContact CG-CB 3.86Å; P10-W13 HydrophobicContact CG-CG 3.92Å; P10-W13 VanDerWaalsContact O-CB 3.26Å; P10-W13 WeakPolarHBondContact O-CB 3.4Å; P10-W13 PolarHBondContact O-N 3.41Å; P10-L35 HydrophobicContact CG-CD2 4.25Å; P10-Y78 HydrophobicContact CB-CE1 4.16Å; P10-Y78 HydrophobicContact CB-CE2 4.31Å; P10-Y78 WeakPolarHBondContact CB-OH 3.35Å; P10-Y78 HydrophobicContact CG-CD1 4.01Å; P10-Y78 HydrophobicContact CG-CD2 4.43Å; P10-Y78 HydrophobicContact CG-CE1 3.57Å; P10-Y78 HydrophobicContact CG-CE2 4.03Å; P10-Y78 HydrophobicContact CG-CG 4.41Å; P10-T134 HydrophobicContact CB-CG2 3.35Å; P10-T134 HydrophobicContact CG-CG2 3.98Å
11V88.9Confident82.3Confident60 Ų6081 Ų8136%0.36440%0.403SS..THydrogen-bonded Turntrans-55.2136.7175.8166.80000110.1L9 W13 H135 I233L9-V11 PolarHBondContact O-N 3.4Å; V11-W13 PolarHBondContact O-N 2.89Å; V11-H135 PolarHBondContact O-NE2 2.96Å; V11-I233 HydrophobicContact CB-CD1 4.38Å; V11-I233 HydrophobicContact CG1-CD1 3.42Å; V11-I233 VanDerWaalsContact CG1-CD1 3.42Å; V11-I233 HydrophobicContact CG1-CG2 4.21Å; V11-I233 HydrophobicContact CG2-CD1 4.25Å
12R88.4Confident84.8Confident72 Ų7271.1 Ų71.127%0.27235%0.353SS..THydrogen-bonded Turntrans5711.8-178.4-61.5-171.2-62148.12.8116.1P10 E14 C15 Y16 V225 C230P10-R12 PolarHBondContact O-N 3.46Å; R12-E14 PolarHBondContact O-N 3.46Å; R12-C15 HydrophobicContact CB-CB 4.35Å; R12-C15 VanDerWaalsContact O-CB 3.3Å; R12-C15 WeakPolarHBondContact O-CB 3.08Å; R12-C15 PolarHBondContact O-N 3.39Å; R12-C15 PolarHBondContact O-SG 3.44Å; R12-Y16 HydrophobicContact CB-CE2 4.32Å; R12-Y16 PolarHBondContact NH1-OH 2.88Å; R12-Y16 VanDerWaalsContact O-CD2 3.32Å; R12-Y16 WeakPolarHBondContact O-CD2 3.38Å; R12-V225 PolarHBondContact NH1-O 2.95Å; R12-C230 HydrophobicContact CG-CB 4.33Å
13W92.2Very high87.1Confident3 Ų364 Ų641%0.01131%0.31CS..G310 helixtrans-60.5-31.9-177-178.592.8000113.3P10 V11 C15 K32 T33 L35 L43 S48 F50 T134P10-W13 HydrophobicContact CB-CB 3.95Å; P10-W13 HydrophobicContact CB-CG 4.48Å; P10-W13 HydrophobicContact CG-CB 3.86Å; P10-W13 HydrophobicContact CG-CG 3.92Å; P10-W13 VanDerWaalsContact O-CB 3.26Å; P10-W13 WeakPolarHBondContact O-CB 3.4Å; P10-W13 PolarHBondContact O-N 3.41Å; V11-W13 PolarHBondContact O-N 2.89Å; W13-C15 VanDerWaalsContact C-N 3.29Å; W13-C15 PolarHBondContact O-N 3.1Å; W13-K32 HydrophobicContact CD2-CD 4.06Å; W13-K32 HydrophobicContact CG-CD 4.43Å; W13-K32 HydrophobicContact CH2-CD 4.47Å; W13-K32 HydrophobicContact CZ2-CD 3.83Å; W13-K32 VanDerWaalsContact CZ2-CE 3.43Å; W13-K32 HydrophobicContact CZ2-CG 4.3Å; W13-K32 VanDerWaalsContact CZ2-NZ 3.34Å; W13-K32 PolarHBondContact O-NZ 3.15Å; W13-T33 WeakPolarHBondContact CZ2-O 3.17Å; W13-T33 PolarHBondContact NE1-O 3.48Å; W13-L35 HydrophobicContact CD2-CD1 3.81Å; W13-L35 HydrophobicContact CD2-CG 4.32Å; W13-L35 HydrophobicContact CE3-CD1 3.88Å; W13-L35 HydrophobicContact CH2-CD1 3.68Å; W13-L35 HydrophobicContact CH2-CG 4.09Å; W13-L35 HydrophobicContact CZ2-CD1 3.61Å; W13-L35 HydrophobicContact CZ2-CD2 4.5Å; W13-L35 HydrophobicContact CZ2-CG 3.57Å; W13-L35 HydrophobicContact CZ3-CD1 3.84Å; W13-L43 HydrophobicContact CE3-CD1 4.4Å; W13-L43 HydrophobicContact CE3-CD2 4.15Å; W13-L43 HydrophobicContact CH2-CD1 3.99Å; W13-L43 HydrophobicContact CZ3-CD1 3.5Å; W13-L43 VanDerWaalsContact CZ3-CD1 3.5Å; W13-L43 HydrophobicContact CZ3-CD2 3.96Å; W13-L43 HydrophobicContact CZ3-CG 4.4Å; W13-S48 WeakPolarHBondContact CZ3-O 3.36Å; W13-F50 HydrophobicContact CH2-CB 3.66Å; W13-F50 HydrophobicContact CZ2-CB 3.88Å; W13-F50 HydrophobicContact CZ2-CD1 4.24Å; W13-T134 VanDerWaalsContact CD1-O 3.24Å
14E90.5Very high89Confident98 Ų9856.2 Ų56.246%0.45829%0.286SS..G310 helixtrans-72.8-19.4176.4-68.5179.784.700113.4R12 Y16 L43R12-E14 PolarHBondContact O-N 3.46Å; E14-Y16 PolarHBondContact O-N 3.44Å; E14-L43 HydrophobicContact CG-CD2 3.38Å; E14-L43 WeakPolarHBondContact OE1-CD2 3.49Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.2Å
15C90.2Very high90.4Very high32 Ų3252.9 Ų52.922%0.21626%0.263CS..G310 helixtrans-75.1-13.3-176.9-48.10000113.1R12 W13 V225 D227R12-C15 HydrophobicContact CB-CB 4.35Å; R12-C15 VanDerWaalsContact O-CB 3.3Å; R12-C15 WeakPolarHBondContact O-CB 3.08Å; R12-C15 PolarHBondContact O-N 3.39Å; R12-C15 PolarHBondContact O-SG 3.44Å; W13-C15 VanDerWaalsContact C-N 3.29Å; W13-C15 PolarHBondContact O-N 3.1Å; C15-V225 HydrophobicContact CB-CG1 3.54Å; C15-D227 VanDerWaalsContact SG-CB 3.6Å; C15-D227 PolarHBondContact SG-OD2 2.92Å
16Y91.3Very high91.5Very high5 Ų545.4 Ų45.42%0.0223%0.23CC..SBendtrans-110.2138.5-179.6-59.1-91.5000110.8R12 E14 K32 H135 V137 Y169 E172 V225R12-Y16 HydrophobicContact CB-CE2 4.32Å; R12-Y16 PolarHBondContact NH1-OH 2.88Å; R12-Y16 VanDerWaalsContact O-CD2 3.32Å; R12-Y16 WeakPolarHBondContact O-CD2 3.38Å; E14-Y16 PolarHBondContact O-N 3.44Å; Y16-K32 WeakPolarHBondContact O-CD 3.47Å; Y16-K32 VanDerWaalsContact O-CE 3.28Å; Y16-K32 WeakPolarHBondContact O-CE 3.39Å; Y16-K32 PolarHBondContact O-NZ 3.26Å; Y16-H135 HydrophobicContact CD1-CB 4.39Å; Y16-H135 HydrophobicContact CD2-CB 3.74Å; Y16-H135 AromaticContact CD2-CD2 3.5Å; Y16-H135 VanDerWaalsContact CD2-CD2 3.5Å; Y16-H135 WeakPolarHBondContact CD2-CD2 3.37Å; Y16-H135 AromaticContact CD2-CG 3.9Å; Y16-H135 HydrophobicContact CE1-CB 4.41Å; Y16-H135 HydrophobicContact CE2-CB 3.75Å; Y16-H135 AromaticContact CE2-CD2 3.34Å; Y16-H135 WeakPolarHBondContact CE2-CD2 3.41Å; Y16-H135 AromaticContact CE2-CG 3.64Å; Y16-H135 HydrophobicContact CG-CB 4.06Å; Y16-V137 HydrophobicContact CD1-CG2 3.67Å; Y16-V137 HydrophobicContact CE1-CG2 3.69Å; Y16-Y169 HydrophobicContact CD1-CD1 4.2Å; Y16-Y169 HydrophobicContact CD1-CD2 4.07Å; Y16-Y169 HydrophobicContact CD1-CE1 4.17Å; Y16-Y169 HydrophobicContact CD1-CE2 4.03Å; Y16-Y169 HydrophobicContact CD1-CG 4.16Å; Y16-E172 PolarHBondContact OH-OE1 2.94Å; Y16-E172 PolarHBondContact OH-OE2 3.45Å; Y16-V225 HydrophobicContact CD1-CG2 4.26Å; Y16-V225 HydrophobicContact CE1-CB 3.99Å; Y16-V225 HydrophobicContact CE1-CG2 3.86Å
17S93.3Very high92.4Very high51 Ų5137.9 Ų37.936%0.35720%0.202SC..  trans-56.5149.7172.270.80000111.1M19 R167 Y169S17-M19 PolarHBondContact O-N 3.35Å; S17-R167 PolarHBondContact O-NH1 3.22Å; S17-R167 PolarHBondContact O-NH2 3.22Å; S17-R167 PolarHBondContact OG-NH1 3.47Å; S17-Y169 PolarHBondContact N-OH 3.32Å; S17-Y169 WeakPolarHBondContact OG-CE2 3.29Å
18A95.5Very high93.2Very high35 Ų3534.5 Ų34.529%0.28918%0.184SC..SBendtrans-56.3-50.8-175.200000113.5C31 K32 F50A18-C31 VanDerWaalsContact O-CB 3.32Å; A18-C31 WeakPolarHBondContact O-CB 3.49Å; A18-K32 WeakPolarHBondContact O-CG 3.22Å; A18-K32 PolarHBondContact O-N 2.9Å; A18-K32 VanDerWaalsContact O-N 3.17Å; A18-F50 HydrophobicContact CB-CB 4.31Å; A18-F50 HydrophobicContact CB-CD1 4.31Å; A18-F50 HydrophobicContact CB-CD2 3.57Å; A18-F50 HydrophobicContact CB-CE2 3.82Å; A18-F50 HydrophobicContact CB-CG 3.82Å; A18-F50 HydrophobicContact CB-CZ 4.28Å
19M95.7Very high93.7Very high32 Ų3230.3 Ų30.316%0.15817%0.165CC..BIsolated β-bridgetrans-150.5151.4-175.159.2-173.8-68.800110.5S17 V29 C31 I59 K62S17-M19 PolarHBondContact O-N 3.35Å; M19-V29 HydrophobicContact CE-CG1 4.25Å; M19-C31 HydrophobicContact CB-CB 3.7Å; M19-I59 HydrophobicContact CE-CD1 3.34Å; M19-I59 HydrophobicContact CE-CG1 3.75Å; M19-K62 HydrophobicContact CE-CD 4.16Å
20G95.9Very high94.1Very high5 Ų528 Ų285%0.05215%0.152CC..  trans-88.6-167.8170.300000113.3P30 K62 S166G20-P30 PolarHBondContact N-O 3.48Å; G20-K62 PolarHBondContact O-NZ 3.02Å; G20-S166 CarbonylContact C-O 3.55Å; G20-S166 WeakPolarHBondContact CA-O 3.39Å
21E96.2Very high94.5Very high104 Ų10427.5 Ų27.549%0.48615%0.149SC..PPolyproline II helixtrans-86.3162.9167.5-61-50.2134.300112.1I23 P30 K62 S166E21-I23 PolarHBondContact O-N 3.48Å; E21-P30 WeakPolarHBondContact O-CD 3.36Å; E21-K62 IonicContact OE1-NZ 3.72Å; E21-K62 PolarHBondContact OE1-NZ 3.02Å; E21-K62 IonicContact OE2-NZ 3.52Å; E21-K62 PolarHBondContact OE2-NZ 2.74Å; E21-S166 PolarHBondContact N-O 3.34Å
22K97.2Very high94.9Very high31 Ų3125 Ų2514%0.13513%0.133CC..PPolyproline II helixtrans-67.1128.4171.1-178.5179.2174.6-72.50109.1P24 S26 F28 V29 Y64 I128K22-P24 WeakPolarHBondContact O-CD 3.47Å; K22-S26 WeakPolarHBondContact CE-O 3.17Å; K22-S26 PolarHBondContact NZ-O 3.48Å; K22-F28 CarbonylContact C-O 3.6Å; K22-F28 WeakPolarHBondContact CA-O 3.45Å; K22-V29 HydrophobicContact CB-CG2 3.86Å; K22-V29 HydrophobicContact CG-CG2 4.32Å; K22-Y64 HydrophobicContact CB-CE2 4.14Å; K22-Y64 HydrophobicContact CD-CD1 4.12Å; K22-Y64 HydrophobicContact CD-CD2 4.4Å; K22-Y64 HydrophobicContact CD-CE1 3.49Å; K22-Y64 VanDerWaalsContact CD-CE1 3.49Å; K22-Y64 HydrophobicContact CD-CE2 3.83Å; K22-I128 HydrophobicContact CD-CG2 3.91Å
23I96.5Very high95.4Very high0 Ų021.5 Ų21.50%012%0.12CC..PPolyproline II helixtrans-62.3123.9173.5-67.4171.5000108.2E21 N25 S26 F28 V144 L148 W154 F162 F163 S166E21-I23 PolarHBondContact O-N 3.48Å; I23-N25 PolarHBondContact O-N 3.39Å; I23-S26 VanDerWaalsContact CB-OG 3.24Å; I23-S26 WeakPolarHBondContact CB-OG 3.47Å; I23-S26 WeakPolarHBondContact CG2-OG 3.49Å; I23-S26 PolarHBondContact O-N 3.14Å; I23-S26 PolarHBondContact O-OG 3.38Å; I23-F28 HydrophobicContact CD1-CB 4.24Å; I23-F28 PolarHBondContact N-O 3.21Å; I23-V144 HydrophobicContact CD1-CG1 3.44Å; I23-V144 VanDerWaalsContact CD1-CG1 3.44Å; I23-L148 HydrophobicContact CD1-CD1 4.36Å; I23-L148 HydrophobicContact CG2-CD1 4.15Å; I23-W154 HydrophobicContact CG2-CH2 4.39Å; I23-W154 HydrophobicContact CG2-CZ3 4.22Å; I23-F162 HydrophobicContact CG2-CB 4.27Å; I23-F163 HydrophobicContact CD1-CD2 4.07Å; I23-S166 WeakPolarHBondContact CA-OG 3.48Å; I23-S166 WeakPolarHBondContact CG1-OG 3.49Å
24P93.4Very high95.7Very high41 Ų4121.4 Ų21.427%0.26612%0.12SC..THydrogen-bonded Turntrans-51.3139.5-175.3-28.734.6000112.2K22 S26 W154 F162 V205K22-P24 WeakPolarHBondContact O-CD 3.47Å; P24-S26 PolarHBondContact O-N 3.03Å; P24-S26 VanDerWaalsContact O-N 3.07Å; P24-W154 VanDerWaalsContact O-CH2 3.26Å; P24-W154 WeakPolarHBondContact O-CH2 3.32Å; P24-F162 HydrophobicContact CG-CD1 4.15Å; P24-F162 HydrophobicContact CG-CE1 4.3Å; P24-V205 HydrophobicContact CB-CG1 4.39Å; P24-V205 HydrophobicContact CB-CG2 3.66Å; P24-V205 HydrophobicContact CG-CG2 4.05Å
25N93.5Very high95.9Very high5 Ų516.8 Ų16.83%0.02710%0.098CC..THydrogen-bonded Turntrans5232.9178.1-55.382.4000114.8I23 M195 F198 S199 P201I23-N25 PolarHBondContact O-N 3.39Å; N25-M195 HydrophobicContact CB-CB 3.89Å; N25-M195 HydrophobicContact CB-CE 3.54Å; N25-M195 HydrophobicContact CB-CG 4.07Å; N25-F198 WeakPolarHBondContact O-CD2 3.19Å; N25-F198 WeakPolarHBondContact O-CG 3.43Å; N25-S199 PolarHBondContact ND2-O 3.14Å; N25-S199 PolarHBondContact ND2-OG 3.47Å; N25-S199 VanDerWaalsContact ND2-OG 3.11Å; N25-P201 VanDerWaalsContact ND2-CA 3.31Å; N25-P201 WeakPolarHBondContact ND2-CA 3.46Å; N25-P201 VanDerWaalsContact ND2-N 3.19Å
26S95.2Very high96.1Very high0 Ų017.6 Ų17.60%010%0.097CC..SBendtrans-141.5167.5171.684.70000109.8K22 I23 P24 F28K22-S26 WeakPolarHBondContact CE-O 3.17Å; K22-S26 PolarHBondContact NZ-O 3.48Å; I23-S26 VanDerWaalsContact CB-OG 3.24Å; I23-S26 WeakPolarHBondContact CB-OG 3.47Å; I23-S26 WeakPolarHBondContact CG2-OG 3.49Å; I23-S26 PolarHBondContact O-N 3.14Å; I23-S26 PolarHBondContact O-OG 3.38Å; P24-S26 PolarHBondContact O-N 3.03Å; P24-S26 VanDerWaalsContact O-N 3.07Å; S26-F28 VanDerWaalsContact C-N 3.31Å; S26-F28 PolarHBondContact OG-N 3.21Å
27P96.3Very high96.1Very high4 Ų423.1 Ų23.13%0.02612%0.118CC..SBendtrans-87.13.117735.9-32000112.8F117 I128 I129 F198P27-F117 HydrophobicContact CB-CD1 4.39Å; P27-F117 HydrophobicContact CB-CE1 3.82Å; P27-I128 CarbonylContact O-C 3.57Å; P27-I128 WeakPolarHBondContact O-CA 3.21Å; P27-I128 WeakPolarHBondContact O-CB 3.15Å; P27-I129 HydrophobicContact CB-CD1 4.32Å; P27-I129 HydrophobicContact CB-CG1 4.21Å; P27-I129 HydrophobicContact CG-CD1 3.97Å; P27-I129 HydrophobicContact CG-CG1 4.38Å; P27-I129 PolarHBondContact O-N 3.16Å; P27-F198 HydrophobicContact CB-CE1 4.27Å; P27-F198 VanDerWaalsContact CD-CE1 3.49Å; P27-F198 HydrophobicContact CG-CE1 3.89Å; P27-F198 HydrophobicContact CG-CZ 4.46Å
28F98.7Very high96Very high0 Ų025.5 Ų25.50%012%0.123CC..EExtended strand (participates in β ladder)trans-91.1132.4-165.8-57.1-64.8000113.7K22 I23 S26 F110 V114 I129 V131 V144 Y147 L148K22-F28 CarbonylContact C-O 3.6Å; K22-F28 WeakPolarHBondContact CA-O 3.45Å; I23-F28 HydrophobicContact CD1-CB 4.24Å; I23-F28 PolarHBondContact N-O 3.21Å; S26-F28 VanDerWaalsContact C-N 3.31Å; S26-F28 PolarHBondContact OG-N 3.21Å; F28-F110 HydrophobicContact CE1-CE1 4.33Å; F28-F110 HydrophobicContact CE1-CZ 4.05Å; F28-F110 HydrophobicContact CZ-CE1 4.42Å; F28-V114 HydrophobicContact CE1-CG1 4.07Å; F28-V114 HydrophobicContact CE1-CG2 3.68Å; F28-V114 HydrophobicContact CZ-CG1 3.76Å; F28-V114 HydrophobicContact CZ-CG2 3.92Å; F28-I129 WeakPolarHBondContact CA-O 3.5Å; F28-I129 HydrophobicContact CD1-CB 4.19Å; F28-I129 HydrophobicContact CD1-CD1 4.42Å; F28-I129 HydrophobicContact CD1-CG2 4.46Å; F28-I129 HydrophobicContact CE1-CD1 4.03Å; F28-V131 HydrophobicContact CD1-CG2 3.82Å; F28-V131 HydrophobicContact CE1-CG2 4.39Å; F28-V144 HydrophobicContact CB-CG1 4.2Å; F28-V144 HydrophobicContact CD1-CG2 4.3Å; F28-V144 HydrophobicContact CD2-CG1 3.88Å; F28-V144 HydrophobicContact CE2-CG1 4.43Å; F28-V144 HydrophobicContact CG-CG1 4.03Å; F28-V144 HydrophobicContact CG-CG2 4.31Å; F28-Y147 AromaticContact CE2-CD1 3.6Å; F28-Y147 HydrophobicContact CE2-CD1 3.6Å; F28-Y147 HydrophobicContact CE2-CE1 4.03Å; F28-Y147 HydrophobicContact CE2-CG 4.45Å; F28-Y147 AromaticContact CZ-CD1 3.51Å; F28-Y147 HydrophobicContact CZ-CD1 3.51Å; F28-Y147 AromaticContact CZ-CE1 3.89Å; F28-Y147 HydrophobicContact CZ-CE1 3.89Å; F28-Y147 HydrophobicContact CZ-CG 4.03Å; F28-L148 HydrophobicContact CD2-CD2 4.13Å; F28-L148 HydrophobicContact CD2-CG 4.49Å; F28-L148 HydrophobicContact CE2-CD2 3.84Å; F28-L148 HydrophobicContact CE2-CG 4.25Å
29V98.7Very high95.8Very high0 Ų023.9 Ų23.90%011%0.11CC..EExtended strand (participates in β ladder)trans-117.9111.5161.1-178.60000108.6M19 K22 I59 I128 I129 C130 V131M19-V29 HydrophobicContact CE-CG1 4.25Å; K22-V29 HydrophobicContact CB-CG2 3.86Å; K22-V29 HydrophobicContact CG-CG2 4.32Å; V29-I59 HydrophobicContact CB-CD1 3.9Å; V29-I59 HydrophobicContact CG1-CD1 3.69Å; V29-I59 HydrophobicContact CG2-CD1 3.83Å; V29-I128 HydrophobicContact CB-CD1 4.45Å; V29-I128 HydrophobicContact CG2-CB 4.37Å; V29-I128 HydrophobicContact CG2-CD1 4.11Å; V29-I128 HydrophobicContact CG2-CG1 4.17Å; V29-I129 PolarHBondContact N-O 3.49Å; V29-C130 WeakPolarHBondContact O-CA 3.29Å; V29-V131 PolarHBondContact O-N 2.99Å
30P98.7Very high95.6Very high0 Ų022.6 Ų22.60%010%0.103CC..EExtended strand (participates in β ladder)trans-81.6134.9177.734.8-34.7000110.8G20 E21 V131 T140 F163 R167G20-P30 PolarHBondContact N-O 3.48Å; E21-P30 WeakPolarHBondContact O-CD 3.36Å; P30-V131 WeakPolarHBondContact CA-O 3.42Å; P30-T140 HydrophobicContact CB-CG2 3.58Å; P30-F163 HydrophobicContact CB-CD2 4.5Å; P30-F163 HydrophobicContact CB-CE2 3.65Å; P30-F163 HydrophobicContact CB-CZ 4.29Å; P30-F163 HydrophobicContact CG-CE2 4.03Å; P30-R167 HydrophobicContact CB-CB 4.36Å; P30-R167 HydrophobicContact CB-CG 4.49Å; P30-R167 HydrophobicContact CG-CB 3.8Å; P30-R167 HydrophobicContact CG-CG 4.38Å
31C98.6Very high95.3Very high0 Ų029.3 Ų29.30%013%0.131CC..EExtended strand (participates in β ladder)trans-146.2164.3178.756.10000111.8A18 M19 V131 F132 G136A18-C31 VanDerWaalsContact O-CB 3.32Å; A18-C31 WeakPolarHBondContact O-CB 3.49Å; M19-C31 HydrophobicContact CB-CB 3.7Å; C31-V131 PolarHBondContact N-O 3.4Å; C31-F132 WeakPolarHBondContact O-CA 3.33Å; C31-F132 WeakPolarHBondContact O-CB 3.42Å; C31-G136 WeakPolarHBondContact O-CA 3.21Å
32K97.8Very high95Very high6 Ų629.7 Ų29.73%0.02613%0.131CC..EExtended strand (participates in β ladder)trans-74.6165.8167.864.7176.8177.5161.50110W13 Y16 A18 P34 F50 S133 H135W13-K32 HydrophobicContact CD2-CD 4.06Å; W13-K32 HydrophobicContact CG-CD 4.43Å; W13-K32 HydrophobicContact CH2-CD 4.47Å; W13-K32 HydrophobicContact CZ2-CD 3.83Å; W13-K32 VanDerWaalsContact CZ2-CE 3.43Å; W13-K32 HydrophobicContact CZ2-CG 4.3Å; W13-K32 VanDerWaalsContact CZ2-NZ 3.34Å; W13-K32 PolarHBondContact O-NZ 3.15Å; Y16-K32 WeakPolarHBondContact O-CD 3.47Å; Y16-K32 VanDerWaalsContact O-CE 3.28Å; Y16-K32 WeakPolarHBondContact O-CE 3.39Å; Y16-K32 PolarHBondContact O-NZ 3.26Å; A18-K32 WeakPolarHBondContact O-CG 3.22Å; A18-K32 PolarHBondContact O-N 2.9Å; A18-K32 VanDerWaalsContact O-N 3.17Å; K32-P34 WeakPolarHBondContact O-CD 3.44Å; K32-F50 HydrophobicContact CG-CD1 4.12Å; K32-F50 HydrophobicContact CG-CE1 4.36Å; K32-F50 WeakPolarHBondContact O-CE1 3.35Å; K32-S133 CarbonylContact C-O 3.57Å; K32-H135 WeakPolarHBondContact CB-O 3.44Å
33T98Very high94.7Very high0 Ų028.3 Ų28.30%013%0.125CC..PPolyproline II helixtrans-61.1128.4177.9-174.40000109.6W13 L35 Y78 V79 S133 T134W13-T33 WeakPolarHBondContact CZ2-O 3.17Å; W13-T33 PolarHBondContact NE1-O 3.48Å; T33-L35 HydrophobicContact CG2-CD2 4.1Å; T33-Y78 HydrophobicContact CG2-CD2 3.98Å; T33-Y78 HydrophobicContact CG2-CG 4.24Å; T33-V79 WeakPolarHBondContact OG1-CG2 3.43Å; T33-S133 WeakPolarHBondContact CB-O 3.43Å; T33-S133 PolarHBondContact N-O 3.25Å; T33-T134 PolarHBondContact N-O 2.64Å
34P97.9Very high94.3Very high0 Ų034.9 Ų34.90%017%0.165CC..PPolyproline II helixtrans-60.8150161.226.4-30.1000108.3K32 F50 T51 V52 L55 V79 F84 F132K32-P34 WeakPolarHBondContact O-CD 3.44Å; P34-F50 CarbonylContact C-O 3.55Å; P34-F50 WeakPolarHBondContact CA-O 3.31Å; P34-F50 HydrophobicContact CB-CD1 4.15Å; P34-F50 HydrophobicContact CB-CE1 4.1Å; P34-T51 VanDerWaalsContact CB-C 3.45Å; P34-V52 HydrophobicContact CB-CG2 4.14Å; P34-V52 HydrophobicContact CG-CG2 4.02Å; P34-L55 HydrophobicContact CG-CD2 4.46Å; P34-V79 HydrophobicContact CG-CG2 4.14Å; P34-V79 WeakPolarHBondContact O-CG2 3.43Å; P34-F84 HydrophobicContact CG-CE1 4.48Å; P34-F84 HydrophobicContact CG-CZ 3.99Å; P34-F132 HydrophobicContact CG-CE1 4.44Å
35L96.5Very high94Very high1 Ų136.3 Ų36.31%0.00517%0.171CC..  trans-106.7139.1177-61.5175000109.6L9 P10 W13 T33 L39 C40 L43 F50 Y78L9-L35 HydrophobicContact CD2-CD1 3.53Å; P10-L35 HydrophobicContact CG-CD2 4.25Å; W13-L35 HydrophobicContact CD2-CD1 3.81Å; W13-L35 HydrophobicContact CD2-CG 4.32Å; W13-L35 HydrophobicContact CE3-CD1 3.88Å; W13-L35 HydrophobicContact CH2-CD1 3.68Å; W13-L35 HydrophobicContact CH2-CG 4.09Å; W13-L35 HydrophobicContact CZ2-CD1 3.61Å; W13-L35 HydrophobicContact CZ2-CD2 4.5Å; W13-L35 HydrophobicContact CZ2-CG 3.57Å; W13-L35 HydrophobicContact CZ3-CD1 3.84Å; T33-L35 HydrophobicContact CG2-CD2 4.1Å; L35-L39 HydrophobicContact CB-CB 4.14Å; L35-L39 HydrophobicContact CD1-CB 4.46Å; L35-L39 HydrophobicContact CD2-CD1 4.25Å; L35-C40 HydrophobicContact CB-CB 4.32Å; L35-L43 HydrophobicContact CD1-CD1 4.33Å; L35-F50 PolarHBondContact N-O 3.43Å; L35-Y78 CarbonylContact C-O 3.56Å; L35-Y78 WeakPolarHBondContact CA-O 3.3Å; L35-Y78 HydrophobicContact CD2-CD1 4.36Å; L35-Y78 HydrophobicContact CD2-CG 4.37Å
36R94.3Very high93.6Very high50 Ų5039.6 Ų39.619%0.18919%0.193CC..  trans-57.1152166.165.8-176.5173140.29110.3R6 N7 E38 L39 C40 R77 Y78R6-R36 PolarHBondContact O-NH2 3.38Å; N7-R36 PolarHBondContact OD1-NH2 3.42Å; R36-E38 PolarHBondContact O-N 3.16Å; R36-E38 VanDerWaalsContact O-N 3.09Å; R36-L39 HydrophobicContact CG-CB 4.33Å; R36-L39 HydrophobicContact CG-CD1 4.14Å; R36-L39 HydrophobicContact CG-CG 4.11Å; R36-L39 PolarHBondContact O-N 3.41Å; R36-C40 PolarHBondContact O-N 3.33Å; R36-R77 PolarHBondContact NE-O 3.26Å; R36-Y78 WeakPolarHBondContact CG-O 3.48Å; R36-Y78 PolarHBondContact N-O 3.09Å
37R90.3Very high93.1Very high120 Ų12046.8 Ų46.845%0.45323%0.231SC..Hα-helixtrans-55.8-35.9-168.5-65.5177.3-179.1175.2-7.6112.7L39 C40 K41 E53R37-L39 PolarHBondContact O-N 3.48Å; R37-C40 PolarHBondContact O-N 3.46Å; R37-K41 WeakPolarHBondContact O-CB 3.44Å; R37-K41 VanDerWaalsContact O-CG 3.23Å; R37-K41 WeakPolarHBondContact O-CG 3.35Å; R37-K41 PolarHBondContact O-N 3.47Å; R37-E53 IonicContact CZ-OE1 2.71Å; R37-E53 IonicContact NE-OE1 3.43Å; R37-E53 PolarHBondContact NE-OE1 3.16Å; R37-E53 IonicContact NH2-OE1 2.91Å; R37-E53 PolarHBondContact NH2-OE1 3.49Å
38E90.9Very high92.7Very high102 Ų10248.5 Ų48.548%0.47724%0.243SC..Hα-helixtrans-66.2-36.2-179.3-6165.1-133.400112.5R36R36-E38 PolarHBondContact O-N 3.16Å; R36-E38 VanDerWaalsContact O-N 3.09Å
39L92.3Very high92.4Very high1 Ų153.4 Ų53.41%0.00526%0.261CS..Hα-helixtrans-77.4-45.1174.3-72.6178.5000110.4N7 L9 L35 R36 R37 K41 K42 R77 Y78N7-L39 VanDerWaalsContact C-CD2 3.45Å; N7-L39 WeakPolarHBondContact O-CD2 3.36Å; L9-L39 HydrophobicContact CD2-CB 4.21Å; L9-L39 WeakPolarHBondContact CD2-O 3.01Å; L35-L39 HydrophobicContact CB-CB 4.14Å; L35-L39 HydrophobicContact CD1-CB 4.46Å; L35-L39 HydrophobicContact CD2-CD1 4.25Å; R36-L39 HydrophobicContact CG-CB 4.33Å; R36-L39 HydrophobicContact CG-CD1 4.14Å; R36-L39 HydrophobicContact CG-CG 4.11Å; R36-L39 PolarHBondContact O-N 3.41Å; R37-L39 PolarHBondContact O-N 3.48Å; L39-K41 VanDerWaalsContact C-N 3.25Å; L39-K41 PolarHBondContact O-N 2.97Å; L39-K42 VanDerWaalsContact O-CB 3.31Å; L39-K42 WeakPolarHBondContact O-CB 3.44Å; L39-K42 PolarHBondContact O-N 2.58Å; L39-R77 WeakPolarHBondContact CD1-O 3.2Å; L39-Y78 HydrophobicContact CD1-CD1 3.9Å
40C89.9Confident92.3Very high4 Ų453.7 Ų53.73%0.02726%0.263CS..Hα-helixtrans-57.7-35.1179.3-1120000113.1L35 R36 R37 K42 L43 R49 F50 T51L35-C40 HydrophobicContact CB-CB 4.32Å; R36-C40 PolarHBondContact O-N 3.33Å; R37-C40 PolarHBondContact O-N 3.46Å; C40-K42 PolarHBondContact O-N 3.04Å; C40-L43 WeakPolarHBondContact O-CB 3.42Å; C40-L43 WeakPolarHBondContact O-CG 3.45Å; C40-L43 PolarHBondContact O-N 3.43Å; C40-L43 VanDerWaalsContact O-N 3.16Å; C40-R49 PolarHBondContact O-NE 3.41Å; C40-F50 PolarHBondContact SG-O 3.15Å; C40-T51 HydrophobicContact CB-CG2 4.01Å; C40-T51 VanDerWaalsContact SG-CG2 3.59Å
41K90.4Very high92.1Very high146 Ų14654.7 Ų54.764%0.63527%0.269SS*.THydrogen-bonded Turntrans-61.9-19.4175.8-78.8170.8-177.3179.20114.1R37 L39 L43R37-K41 WeakPolarHBondContact O-CB 3.44Å; R37-K41 VanDerWaalsContact O-CG 3.23Å; R37-K41 WeakPolarHBondContact O-CG 3.35Å; R37-K41 PolarHBondContact O-N 3.47Å; L39-K41 VanDerWaalsContact C-N 3.25Å; L39-K41 PolarHBondContact O-N 2.97Å; K41-L43 VanDerWaalsContact C-N 3.31Å
42K90.4Very high91.8Very high112 Ų11255.1 Ų55.149%0.48727%0.271SS..THydrogen-bonded Turntrans-80.1-14.7178.5-59-172174-155.60113.4N7 L9 L39 C40 V44N7-K42 VanDerWaalsContact O-CE 3.32Å; N7-K42 WeakPolarHBondContact O-CE 3.19Å; N7-K42 PolarHBondContact O-NZ 2.81Å; L9-K42 HydrophobicContact CD1-CB 3.98Å; L9-K42 HydrophobicContact CG-CB 4.28Å; L39-K42 VanDerWaalsContact O-CB 3.31Å; L39-K42 WeakPolarHBondContact O-CB 3.44Å; L39-K42 PolarHBondContact O-N 2.58Å; C40-K42 PolarHBondContact O-N 3.04Å; K42-V44 PolarHBondContact O-N 3.37Å
43L90.2Very high91.5Very high2 Ų256 Ų561%0.0128%0.275CS..  trans-70.2122.2175.7-60.7168.1000108.7L9 W13 E14 L35 C40 K41 R49L9-L43 HydrophobicContact CD1-CD2 3.69Å; L9-L43 HydrophobicContact CD1-CG 4.3Å; L9-L43 HydrophobicContact CD2-CD2 4.24Å; L9-L43 HydrophobicContact CD2-CG 4.48Å; W13-L43 HydrophobicContact CE3-CD1 4.4Å; W13-L43 HydrophobicContact CE3-CD2 4.15Å; W13-L43 HydrophobicContact CH2-CD1 3.99Å; W13-L43 HydrophobicContact CZ3-CD1 3.5Å; W13-L43 VanDerWaalsContact CZ3-CD1 3.5Å; W13-L43 HydrophobicContact CZ3-CD2 3.96Å; W13-L43 HydrophobicContact CZ3-CG 4.4Å; E14-L43 HydrophobicContact CG-CD2 3.38Å; E14-L43 WeakPolarHBondContact OE1-CD2 3.49Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.2Å; L35-L43 HydrophobicContact CD1-CD1 4.33Å; C40-L43 WeakPolarHBondContact O-CB 3.42Å; C40-L43 WeakPolarHBondContact O-CG 3.45Å; C40-L43 PolarHBondContact O-N 3.43Å; C40-L43 VanDerWaalsContact O-N 3.16Å; K41-L43 VanDerWaalsContact C-N 3.31Å; L43-R49 HydrophobicContact CB-CG 4.09Å; L43-R49 HydrophobicContact CD1-CB 4.32Å; L43-R49 HydrophobicContact CD1-CG 3.9Å; L43-R49 PolarHBondContact O-NH2 3.21Å
44V87.9Confident91.2Very high138 Ų13857.9 Ų57.984%0.83629%0.289SS*.SBendtrans-64.9-44.8-178.2177.70000109.9K42 P46K42-V44 PolarHBondContact O-N 3.37Å; V44-P46 WeakPolarHBondContact O-CD 3.37Å
45N87.5Confident91.1Very high71 Ų7157.9 Ų57.938%0.3829%0.289SS..SBendtrans-84.8116.3175.6-174.31000110.6D47 S48N45-D47 PolarHBondContact O-N 2.9Å; N45-D47 PolarHBondContact OD1-N 3.47Å; N45-S48 PolarHBondContact ND2-OG 3.26Å; N45-S48 PolarHBondContact O-N 3.23Å
46P85.7Confident90.8Very high75 Ų7558 Ų5849%0.48729%0.289SS..G310 helixtrans-60-31.5175.2-23.335.7000113.8V44 S48 R49V44-P46 WeakPolarHBondContact O-CD 3.37Å; P46-S48 PolarHBondContact O-N 3.38Å; P46-R49 VanDerWaalsContact O-CB 3.22Å; P46-R49 WeakPolarHBondContact O-CB 3.28Å; P46-R49 VanDerWaalsContact O-CG 3.27Å; P46-R49 WeakPolarHBondContact O-CG 3.42Å; P46-R49 PolarHBondContact O-N 3.49Å; P46-R49 VanDerWaalsContact O-N 3.14Å
47D84.6Confident90.4Very high150 Ų15056.3 Ų56.380%0.80229%0.285SS*.G310 helixtrans-72.1-20-178.5-60.8-29.7000112.3N45 R49N45-D47 PolarHBondContact O-N 2.9Å; N45-D47 PolarHBondContact OD1-N 3.47Å; D47-R49 VanDerWaalsContact C-N 3.28Å
48S87.8Confident90.4Very high40 Ų4051.1 Ų51.128%0.2827%0.268SS..G310 helixtrans-83.2-4174.9-54.90000113W13 N45 P46W13-S48 WeakPolarHBondContact CZ3-O 3.36Å; N45-S48 PolarHBondContact ND2-OG 3.26Å; N45-S48 PolarHBondContact O-N 3.23Å; P46-S48 PolarHBondContact O-N 3.38Å
49R92.8Very high90.4Very high103 Ų10346.2 Ų46.239%0.38925%0.246SC..  trans-72.6132.2-179.6-65.1176.7178.4169.74.6110.9C40 L43 P46 D47C40-R49 PolarHBondContact O-NE 3.41Å; L43-R49 HydrophobicContact CB-CG 4.09Å; L43-R49 HydrophobicContact CD1-CB 4.32Å; L43-R49 HydrophobicContact CD1-CG 3.9Å; L43-R49 PolarHBondContact O-NH2 3.21Å; P46-R49 VanDerWaalsContact O-CB 3.22Å; P46-R49 WeakPolarHBondContact O-CB 3.28Å; P46-R49 VanDerWaalsContact O-CG 3.27Å; P46-R49 WeakPolarHBondContact O-CG 3.42Å; P46-R49 PolarHBondContact O-N 3.49Å; P46-R49 VanDerWaalsContact O-N 3.14Å; D47-R49 VanDerWaalsContact C-N 3.28Å
50F95.6Very high90.2Very high7 Ų746.2 Ų46.23%0.03125%0.246CC..  trans-137.9105.3179.2-177.2-120.5000109.4W13 A18 K32 P34 L35 C40 L55W13-F50 HydrophobicContact CH2-CB 3.66Å; W13-F50 HydrophobicContact CZ2-CB 3.88Å; W13-F50 HydrophobicContact CZ2-CD1 4.24Å; A18-F50 HydrophobicContact CB-CB 4.31Å; A18-F50 HydrophobicContact CB-CD1 4.31Å; A18-F50 HydrophobicContact CB-CD2 3.57Å; A18-F50 HydrophobicContact CB-CE2 3.82Å; A18-F50 HydrophobicContact CB-CG 3.82Å; A18-F50 HydrophobicContact CB-CZ 4.28Å; K32-F50 HydrophobicContact CG-CD1 4.12Å; K32-F50 HydrophobicContact CG-CE1 4.36Å; K32-F50 WeakPolarHBondContact O-CE1 3.35Å; P34-F50 CarbonylContact C-O 3.55Å; P34-F50 WeakPolarHBondContact CA-O 3.31Å; P34-F50 HydrophobicContact CB-CD1 4.15Å; P34-F50 HydrophobicContact CB-CE1 4.1Å; L35-F50 PolarHBondContact N-O 3.43Å; C40-F50 PolarHBondContact SG-O 3.15Å; F50-L55 HydrophobicContact CE2-CB 3.87Å; F50-L55 HydrophobicContact CE2-CD1 4.42Å; F50-L55 HydrophobicContact CZ-CB 3.69Å; F50-L55 HydrophobicContact CZ-CD1 3.77Å; F50-L55 HydrophobicContact CZ-CG 4.25Å
51T94.9Very high90.1Very high21 Ų2150.8 Ų50.813%0.12927%0.267CS..  trans-108.1179.2176.868.90000110.7P34 C40 E53 S54 L55P34-T51 VanDerWaalsContact CB-C 3.45Å; C40-T51 HydrophobicContact CB-CG2 4.01Å; C40-T51 VanDerWaalsContact SG-CG2 3.59Å; T51-E53 WeakPolarHBondContact CB-OE2 3.49Å; T51-E53 PolarHBondContact O-N 3.27Å; T51-E53 PolarHBondContact OG1-N 3.4Å; T51-E53 PolarHBondContact OG1-OE2 3.47Å; T51-S54 PolarHBondContact N-OG 2.99Å; T51-S54 VanDerWaalsContact N-OG 3.12Å; T51-S54 WeakPolarHBondContact O-CB 3.37Å; T51-S54 PolarHBondContact O-N 3.34Å; T51-S54 PolarHBondContact OG1-N 2.95Å; T51-S54 PolarHBondContact OG1-OG 3.35Å; T51-L55 PolarHBondContact O-N 2.83Å
52V93.1Very high89.9Confident8 Ų846.4 Ų46.45%0.04825%0.248CC..Hα-helixtrans-59.3-38.7172.8174.50000110.7P34 L55 V56 V79 A83 F84P34-V52 HydrophobicContact CB-CG2 4.14Å; P34-V52 HydrophobicContact CG-CG2 4.02Å; V52-L55 WeakPolarHBondContact O-CB 3.1Å; V52-L55 PolarHBondContact O-N 3.45Å; V52-V56 HydrophobicContact CG1-CG2 4.45Å; V52-V56 WeakPolarHBondContact O-CG2 3.43Å; V52-V56 PolarHBondContact O-N 3.1Å; V52-V79 HydrophobicContact CG2-CG1 4.12Å; V52-A83 HydrophobicContact CB-CB 4.15Å; V52-A83 HydrophobicContact CG1-CB 4.26Å; V52-A83 HydrophobicContact CG2-CB 3.95Å; V52-F84 HydrophobicContact CB-CE1 4.27Å; V52-F84 HydrophobicContact CG1-CD1 3.59Å; V52-F84 HydrophobicContact CG1-CE1 3.7Å; V52-F84 HydrophobicContact CG1-CG 4.4Å; V52-F84 HydrophobicContact CG2-CD1 4.19Å; V52-F84 HydrophobicContact CG2-CE1 3.69Å; V52-F84 HydrophobicContact CG2-CE2 4.37Å; V52-F84 HydrophobicContact CG2-CZ 3.79Å
53E90.9Very high89.8Confident24 Ų2444 Ų4411%0.11224%0.24CC..Hα-helixtrans-63.7-43.3175.1-57.589.1161.300111.8R37 T51 L55 V56 V57 W87 Y344R37-E53 IonicContact CZ-OE1 2.71Å; R37-E53 IonicContact NE-OE1 3.43Å; R37-E53 PolarHBondContact NE-OE1 3.16Å; R37-E53 IonicContact NH2-OE1 2.91Å; R37-E53 PolarHBondContact NH2-OE1 3.49Å; T51-E53 WeakPolarHBondContact CB-OE2 3.49Å; T51-E53 PolarHBondContact O-N 3.27Å; T51-E53 PolarHBondContact OG1-N 3.4Å; T51-E53 PolarHBondContact OG1-OE2 3.47Å; E53-L55 VanDerWaalsContact C-N 3.3Å; E53-L55 PolarHBondContact O-N 2.96Å; E53-V56 PolarHBondContact O-N 3.42Å; E53-V57 PolarHBondContact O-N 3.28Å; E53-W87 HydrophobicContact CG-CZ2 4.36Å; E53-Y344 HydrophobicContact CB-CE1 4.28Å; E53-Y344 HydrophobicContact CB-CE2 4.33Å; E53-Y344 PolarHBondContact O-OH 2.86Å
54S91.7Very high89.9Confident41 Ų4147.1 Ų47.129%0.28725%0.252SS..Hα-helixtrans-57.7-43.1173.4-51.10000111.7T51 V57 G58T51-S54 PolarHBondContact N-OG 2.99Å; T51-S54 VanDerWaalsContact N-OG 3.12Å; T51-S54 WeakPolarHBondContact O-CB 3.37Å; T51-S54 PolarHBondContact O-N 3.34Å; T51-S54 PolarHBondContact OG1-N 2.95Å; T51-S54 PolarHBondContact OG1-OG 3.35Å; S54-V57 PolarHBondContact O-N 2.95Å; S54-G58 PolarHBondContact O-N 3.32Å
55L95Very high90.1Very high0 Ų041.8 Ų41.80%022%0.217CC..Hα-helixtrans-62.5-47.5176.7175.365.5000111.4P34 F50 T51 V52 E53 V57 G58 I59 I66 V69 F84 C130P34-L55 HydrophobicContact CG-CD2 4.46Å; F50-L55 HydrophobicContact CE2-CB 3.87Å; F50-L55 HydrophobicContact CE2-CD1 4.42Å; F50-L55 HydrophobicContact CZ-CB 3.69Å; F50-L55 HydrophobicContact CZ-CD1 3.77Å; F50-L55 HydrophobicContact CZ-CG 4.25Å; T51-L55 PolarHBondContact O-N 2.83Å; V52-L55 WeakPolarHBondContact O-CB 3.1Å; V52-L55 PolarHBondContact O-N 3.45Å; E53-L55 VanDerWaalsContact C-N 3.3Å; E53-L55 PolarHBondContact O-N 2.96Å; L55-V57 VanDerWaalsContact C-N 3.33Å; L55-V57 PolarHBondContact O-N 3.49Å; L55-G58 PolarHBondContact O-N 2.86Å; L55-I59 HydrophobicContact CD1-CG1 4.01Å; L55-I59 VanDerWaalsContact O-CG1 3.3Å; L55-I59 WeakPolarHBondContact O-CG1 3.35Å; L55-I59 PolarHBondContact O-N 3.45Å; L55-I66 HydrophobicContact CD2-CD1 4.13Å; L55-I66 HydrophobicContact CG-CD1 3.8Å; L55-V69 HydrophobicContact CD2-CG1 4.47Å; L55-F84 HydrophobicContact CD2-CE1 4.27Å; L55-C130 HydrophobicContact CD1-CB 4.42Å; L55-C130 HydrophobicContact CD2-CB 4.23Å
56V89.9Confident90.5Very high2 Ų239 Ų391%0.01220%0.202CC..Hα-helixtrans-60.4-43.2179.6171.90000111.1V52 E53 T60 I66 W87 I89V52-V56 HydrophobicContact CG1-CG2 4.45Å; V52-V56 WeakPolarHBondContact O-CG2 3.43Å; V52-V56 PolarHBondContact O-N 3.1Å; E53-V56 PolarHBondContact O-N 3.42Å; V56-T60 WeakPolarHBondContact O-CB 3.45Å; V56-T60 PolarHBondContact O-N 3.1Å; V56-T60 PolarHBondContact O-OG1 3.07Å; V56-I66 HydrophobicContact CG2-CD1 4.04Å; V56-W87 HydrophobicContact CG1-CD2 4.19Å; V56-W87 HydrophobicContact CG1-CE3 4.03Å; V56-W87 HydrophobicContact CG1-CZ3 4.26Å; V56-W87 HydrophobicContact CG2-CD2 4.2Å; V56-W87 HydrophobicContact CG2-CG 4.06Å; V56-I89 HydrophobicContact CG2-CD1 3.71Å
57V86.8Confident91Very high15 Ų1535.4 Ų35.49%0.09118%0.179CC..Hα-helixtrans-67.9-46.1176172.70000111.8E53 S54 L55 I59 T60 Q61 Y344 F363E53-V57 PolarHBondContact O-N 3.28Å; S54-V57 PolarHBondContact O-N 2.95Å; L55-V57 VanDerWaalsContact C-N 3.33Å; L55-V57 PolarHBondContact O-N 3.49Å; V57-I59 VanDerWaalsContact C-N 3.28Å; V57-I59 PolarHBondContact O-N 2.97Å; V57-T60 VanDerWaalsContact O-CB 3.27Å; V57-T60 WeakPolarHBondContact O-CB 3.33Å; V57-T60 PolarHBondContact O-N 3.27Å; V57-T60 VanDerWaalsContact O-N 3.14Å; V57-Q61 HydrophobicContact CG1-CG 4.01Å; V57-Q61 VanDerWaalsContact O-CG 3.27Å; V57-Q61 WeakPolarHBondContact O-CG 3.49Å; V57-Q61 PolarHBondContact O-N 2.88Å; V57-Y344 HydrophobicContact CG2-CE1 3.32Å; V57-Y344 VanDerWaalsContact CG2-CZ 3.5Å; V57-Y344 WeakPolarHBondContact CG2-OH 3.43Å; V57-F363 HydrophobicContact CG1-CD1 4.05Å; V57-F363 HydrophobicContact CG1-CE1 3.9Å; V57-F363 HydrophobicContact CG1-CG 4.46Å; V57-F363 HydrophobicContact CG1-CZ 4.18Å; V57-F363 HydrophobicContact CG2-CE1 3.96Å; V57-F363 HydrophobicContact CG2-CE2 4.03Å; V57-F363 HydrophobicContact CG2-CZ 3.52Å
58G89.2Confident91.6Very high11 Ų1128.3 Ų28.311%0.11314%0.141CC..Hα-helixtrans-59.1-40.1179.900000112.5S54 L55 K62S54-G58 PolarHBondContact O-N 3.32Å; L55-G58 PolarHBondContact O-N 2.86Å; G58-K62 WeakPolarHBondContact O-CG 3.26Å
59I92.8Very high92.1Very high0 Ų026.4 Ų26.40%013%0.127CC..Hα-helixtrans-69.8-42.2175.8-66.6-69.8000111.6M19 V29 L55 V57 Q61 K62 Y64 I66 I128M19-I59 HydrophobicContact CE-CD1 3.34Å; M19-I59 HydrophobicContact CE-CG1 3.75Å; V29-I59 HydrophobicContact CB-CD1 3.9Å; V29-I59 HydrophobicContact CG1-CD1 3.69Å; V29-I59 HydrophobicContact CG2-CD1 3.83Å; L55-I59 HydrophobicContact CD1-CG1 4.01Å; L55-I59 VanDerWaalsContact O-CG1 3.3Å; L55-I59 WeakPolarHBondContact O-CG1 3.35Å; L55-I59 PolarHBondContact O-N 3.45Å; V57-I59 VanDerWaalsContact C-N 3.28Å; V57-I59 PolarHBondContact O-N 2.97Å; I59-Q61 VanDerWaalsContact C-N 3.28Å; I59-Q61 PolarHBondContact O-N 2.76Å; I59-K62 PolarHBondContact O-N 2.84Å; I59-K62 VanDerWaalsContact O-N 3.12Å; I59-Y64 PolarHBondContact O-N 3.4Å; I59-I66 HydrophobicContact CB-CD1 4.14Å; I59-I66 HydrophobicContact CB-CG1 3.88Å; I59-I66 HydrophobicContact CG1-CD1 3.87Å; I59-I66 HydrophobicContact CG1-CG1 3.88Å; I59-I66 HydrophobicContact CG2-CD1 4.45Å; I59-I66 HydrophobicContact CG2-CG1 3.65Å; I59-I128 HydrophobicContact CD1-CD1 3.95Å; I59-I128 HydrophobicContact CD1-CG1 4.45Å; I59-I128 HydrophobicContact CG1-CD1 4.39Å; I59-I128 HydrophobicContact CG2-CD1 3.96Å; I59-I128 HydrophobicContact CG2-CG1 3.86Å
60T87.1Confident92.4Very high1 Ų121.5 Ų21.51%0.00611%0.109CC..Hα-helixtrans-56.6-43.4175.5-69.90000112.3V56 V57 K62 D63 Y64 R359 F363 L365V56-T60 WeakPolarHBondContact O-CB 3.45Å; V56-T60 PolarHBondContact O-N 3.1Å; V56-T60 PolarHBondContact O-OG1 3.07Å; V57-T60 VanDerWaalsContact O-CB 3.27Å; V57-T60 WeakPolarHBondContact O-CB 3.33Å; V57-T60 PolarHBondContact O-N 3.27Å; V57-T60 VanDerWaalsContact O-N 3.14Å; T60-K62 PolarHBondContact O-N 3.47Å; T60-K62 VanDerWaalsContact O-N 3.14Å; T60-D63 PolarHBondContact O-N 3.27Å; T60-Y64 WeakPolarHBondContact CA-O 3.01Å; T60-R359 HydrophobicContact CG2-CB 3.36Å; T60-R359 HydrophobicContact CG2-CG 3.35Å; T60-R359 VanDerWaalsContact OG1-CD 3.27Å; T60-R359 WeakPolarHBondContact OG1-CD 3.45Å; T60-R359 PolarHBondContact OG1-NE 3.25Å; T60-R359 PolarHBondContact OG1-NH1 3.16Å; T60-F363 HydrophobicContact CG2-CD2 4.19Å; T60-L365 HydrophobicContact CG2-CD1 3.91Å; T60-L365 VanDerWaalsContact O-CD1 3.29Å; T60-L365 WeakPolarHBondContact O-CD1 3.48Å
61Q87Confident92.6Very high100 Ų10021.4 Ų21.447%0.46711%0.109SC..THydrogen-bonded Turntrans-66.1-13.9-178.1-71.4175-37.400113.1V57 I59 F363 L365V57-Q61 HydrophobicContact CG1-CG 4.01Å; V57-Q61 VanDerWaalsContact O-CG 3.27Å; V57-Q61 WeakPolarHBondContact O-CG 3.49Å; V57-Q61 PolarHBondContact O-N 2.88Å; I59-Q61 VanDerWaalsContact C-N 3.28Å; I59-Q61 PolarHBondContact O-N 2.76Å; Q61-F363 HydrophobicContact CG-CB 4.36Å; Q61-L365 VanDerWaalsContact CA-CD2 3.47Å; Q61-L365 HydrophobicContact CB-CD2 3.89Å; Q61-L365 HydrophobicContact CG-CD2 3.95Å
62K87.6Confident92.7Very high53 Ų5320.4 Ų20.423%0.2310%0.103CC..THydrogen-bonded Turntrans-9917.4175.1-60.2177.7179.6-153.40112.1M19 G20 E21 G58 I59 T60 Y64M19-K62 HydrophobicContact CE-CD 4.16Å; G20-K62 PolarHBondContact O-NZ 3.02Å; E21-K62 IonicContact OE1-NZ 3.72Å; E21-K62 PolarHBondContact OE1-NZ 3.02Å; E21-K62 IonicContact OE2-NZ 3.52Å; E21-K62 PolarHBondContact OE2-NZ 2.74Å; G58-K62 WeakPolarHBondContact O-CG 3.26Å; I59-K62 PolarHBondContact O-N 2.84Å; I59-K62 VanDerWaalsContact O-N 3.12Å; T60-K62 PolarHBondContact O-N 3.47Å; T60-K62 VanDerWaalsContact O-N 3.14Å; K62-Y64 HydrophobicContact CB-CD2 3.74Å; K62-Y64 HydrophobicContact CB-CE2 4.15Å; K62-Y64 WeakPolarHBondContact O-CD2 3.49Å; K62-Y64 WeakPolarHBondContact O-CE2 3.48Å; K62-Y64 PolarHBondContact O-N 3.11Å
63D88.4Confident92.9Very high61 Ų6120.1 Ų20.133%0.32610%0.101SC..THydrogen-bonded Turntrans57.926.4-175.4-73.8-77.5000114.9T60 H356 R360T60-D63 PolarHBondContact O-N 3.27Å; D63-H356 IonicContact OD1-CE1 3.74Å; D63-H356 IonicContact OD1-NE2 2.74Å; D63-R360 IonicContact OD1-CZ 3.07Å; D63-R360 IonicContact OD1-NE 2.81Å; D63-R360 PolarHBondContact OD1-NE 3.06Å; D63-R360 IonicContact OD1-NH2 2.71Å; D63-R360 PolarHBondContact OD1-NH2 3.33Å
64Y92.8Very high93Very high68 Ų6823.1 Ų23.127%0.26712%0.118SC..  trans-111.1164.9175.1-63.2-64.4000112.3K22 I59 T60 K62 D126 I128K22-Y64 HydrophobicContact CB-CE2 4.14Å; K22-Y64 HydrophobicContact CD-CD1 4.12Å; K22-Y64 HydrophobicContact CD-CD2 4.4Å; K22-Y64 HydrophobicContact CD-CE1 3.49Å; K22-Y64 VanDerWaalsContact CD-CE1 3.49Å; K22-Y64 HydrophobicContact CD-CE2 3.83Å; I59-Y64 PolarHBondContact O-N 3.4Å; T60-Y64 WeakPolarHBondContact CA-O 3.01Å; K62-Y64 HydrophobicContact CB-CD2 3.74Å; K62-Y64 HydrophobicContact CB-CE2 4.15Å; K62-Y64 WeakPolarHBondContact O-CD2 3.49Å; K62-Y64 WeakPolarHBondContact O-CE2 3.48Å; K62-Y64 PolarHBondContact O-N 3.11Å; Y64-D126 CarbonylContact C-O 3.44Å; Y64-D126 WeakPolarHBondContact CA-O 3.33Å; Y64-I128 HydrophobicContact CD1-CG2 3.67Å; Y64-I128 HydrophobicContact CE1-CG2 4.38Å; Y64-I128 HydrophobicContact CG-CG2 3.86Å
65R91.5Very high93.1Very high26 Ų2622.5 Ų22.510%0.09811%0.112CC..EExtended strand (participates in β ladder)trans-128.5137.6173.2-62.7-170.8-68.5166.41.5110.1G67 D126 M127 I128 F352R65-G67 PolarHBondContact O-N 3.29Å; R65-D126 IonicContact CZ-OD2 2.92Å; R65-D126 PolarHBondContact N-O 3.04Å; R65-D126 IonicContact NE-OD2 2.74Å; R65-D126 PolarHBondContact NE-OD2 3.18Å; R65-D126 IonicContact NH2-OD1 3.03Å; R65-D126 IonicContact NH2-OD2 3.56Å; R65-D126 PolarHBondContact NH2-OD2 3.04Å; R65-M127 HydrophobicContact CB-SD 3.58Å; R65-M127 VanDerWaalsContact CB-SD 3.58Å; R65-M127 CarbonylContact O-C 3.59Å; R65-M127 WeakPolarHBondContact O-CA 3.45Å; R65-I128 WeakPolarHBondContact O-CG1 3.32Å; R65-I128 PolarHBondContact O-N 3.08Å; R65-F352 VanDerWaalsContact CZ-CZ 3.49Å; R65-F352 VanDerWaalsContact NH1-CE2 3.29Å
66I95.8Very high93Very high13 Ų1327.4 Ų27.47%0.06714%0.138CC..EExtended strand (participates in β ladder)trans-81.6118.7178.2-47.9175.8000107.9L55 V56 I59 M68 V69 I89 I128L55-I66 HydrophobicContact CD2-CD1 4.13Å; L55-I66 HydrophobicContact CG-CD1 3.8Å; V56-I66 HydrophobicContact CG2-CD1 4.04Å; I59-I66 HydrophobicContact CB-CD1 4.14Å; I59-I66 HydrophobicContact CB-CG1 3.88Å; I59-I66 HydrophobicContact CG1-CD1 3.87Å; I59-I66 HydrophobicContact CG1-CG1 3.88Å; I59-I66 HydrophobicContact CG2-CD1 4.45Å; I59-I66 HydrophobicContact CG2-CG1 3.65Å; I66-M68 WeakPolarHBondContact CG2-O 3.28Å; I66-V69 HydrophobicContact CG2-CG1 3.75Å; I66-I89 HydrophobicContact CB-CD1 3.86Å; I66-I89 HydrophobicContact CB-CG1 4.15Å; I66-I89 HydrophobicContact CB-CG2 4.34Å; I66-I89 HydrophobicContact CD1-CD1 4.12Å; I66-I89 HydrophobicContact CG2-CD1 4.14Å; I66-I89 HydrophobicContact CG2-CG1 4.33Å; I66-I89 HydrophobicContact CG2-CG2 3.6Å; I66-I128 HydrophobicContact CB-CD1 4.32Å; I66-I128 HydrophobicContact CG1-CD1 3.98Å; I66-I128 HydrophobicContact CG2-CD1 4.32Å
67G95.4Very high93.1Very high0 Ų030.3 Ų30.30%015%0.149CC..EExtended strand (participates in β ladder)trans-95.9-32.1169.300000112.8R65 Q90 I128R65-G67 PolarHBondContact O-N 3.29Å; G67-Q90 PolarHBondContact O-N 3Å; G67-Q90 VanDerWaalsContact O-N 3.11Å; G67-I128 PolarHBondContact N-O 3.43Å
68M98.2Very high93.5Very high0 Ų030.3 Ų30.30%015%0.148CC..EExtended strand (participates in β ladder)trans-142.8146.3179.9-179.6-177.1-73.500110.3I66 I70 Q90 V92 A113 F117 I129 C130I66-M68 WeakPolarHBondContact CG2-O 3.28Å; M68-I70 HydrophobicContact CG-CG1 4.22Å; M68-I70 HydrophobicContact SD-CD1 4.2Å; M68-I70 HydrophobicContact SD-CG1 3.99Å; M68-Q90 CarbonylContact C-O 3.57Å; M68-Q90 WeakPolarHBondContact CA-O 3.46Å; M68-Q90 HydrophobicContact CB-CB 4.45Å; M68-Q90 HydrophobicContact CE-CG 4.38Å; M68-Q90 HydrophobicContact CG-CB 4.48Å; M68-V92 HydrophobicContact CE-CG2 4.03Å; M68-V92 HydrophobicContact CG-CG2 4Å; M68-V92 HydrophobicContact SD-CG2 3.85Å; M68-A113 WeakPolarHBondContact CE-O 3.23Å; M68-A113 HydrophobicContact SD-CB 4.1Å; M68-F117 HydrophobicContact CB-CD2 3.65Å; M68-F117 HydrophobicContact CB-CE2 4.18Å; M68-F117 HydrophobicContact CE-CB 3.94Å; M68-F117 HydrophobicContact SD-CB 4.22Å; M68-I129 HydrophobicContact CB-CG1 4.45Å; M68-I129 HydrophobicContact CB-CG2 4.48Å; M68-I129 HydrophobicContact CG-CG2 4.48Å; M68-I129 VanDerWaalsContact O-CA 3.31Å; M68-I129 WeakPolarHBondContact O-CA 3.47Å; M68-C130 PolarHBondContact O-N 3.45Å
69V98.8Very high93.7Very high0 Ų030.3 Ų30.30%015%0.146CC..EExtended strand (participates in β ladder)trans-115.2142.6160.1-58.30000110L55 I66 F84 I89 Q90 H91 V92 C130 F132L55-V69 HydrophobicContact CD2-CG1 4.47Å; I66-V69 HydrophobicContact CG2-CG1 3.75Å; V69-F84 HydrophobicContact CB-CE1 4.32Å; V69-F84 HydrophobicContact CB-CZ 4.44Å; V69-F84 HydrophobicContact CG1-CD1 3.97Å; V69-F84 HydrophobicContact CG1-CE1 3.75Å; V69-F84 HydrophobicContact CG1-CZ 4.33Å; V69-F84 HydrophobicContact CG2-CD1 3.88Å; V69-F84 HydrophobicContact CG2-CD2 3.84Å; V69-F84 HydrophobicContact CG2-CE1 3.88Å; V69-F84 HydrophobicContact CG2-CE2 3.8Å; V69-F84 HydrophobicContact CG2-CG 3.87Å; V69-F84 HydrophobicContact CG2-CZ 3.84Å; V69-I89 HydrophobicContact CG1-CG2 3.86Å; V69-I89 HydrophobicContact CG2-CG2 4.46Å; V69-Q90 PolarHBondContact N-O 3.16Å; V69-H91 HydrophobicContact CG2-CB 4.1Å; V69-V92 PolarHBondContact O-N 3.33Å; V69-C130 CarbonylContact C-O 3.54Å; V69-C130 VanDerWaalsContact CA-O 3.24Å; V69-C130 WeakPolarHBondContact CA-O 3.33Å; V69-C130 HydrophobicContact CG1-CB 3.98Å; V69-F132 HydrophobicContact CB-CE1 3.85Å; V69-F132 HydrophobicContact CG1-CE1 4.39Å; V69-F132 HydrophobicContact CG2-CE1 4.18Å
70I98.9Very high93.6Very high0 Ų034.8 Ų34.80%017%0.17CC..EExtended strand (participates in β ladder)trans-115.1108.7171.9-55.1175.7000108.1M68 L72 V92 I94 F110 A113 V114 I129 C130 V131 F132M68-I70 HydrophobicContact CG-CG1 4.22Å; M68-I70 HydrophobicContact SD-CD1 4.2Å; M68-I70 HydrophobicContact SD-CG1 3.99Å; I70-L72 HydrophobicContact CG2-CD2 3.9Å; I70-L72 HydrophobicContact CG2-CG 4.3Å; I70-V92 CarbonylContact C-O 3.52Å; I70-V92 WeakPolarHBondContact CA-O 3.34Å; I70-V92 HydrophobicContact CG1-CB 4.3Å; I70-I94 HydrophobicContact CG2-CD1 4.06Å; I70-F110 HydrophobicContact CB-CE2 4.25Å; I70-F110 HydrophobicContact CD1-CD2 3.85Å; I70-F110 HydrophobicContact CD1-CE2 3.56Å; I70-F110 HydrophobicContact CD1-CZ 4.12Å; I70-F110 HydrophobicContact CG1-CE2 4.5Å; I70-F110 HydrophobicContact CG2-CD2 3.78Å; I70-F110 HydrophobicContact CG2-CE2 3.93Å; I70-A113 HydrophobicContact CD1-CB 4.21Å; I70-V114 HydrophobicContact CD1-CG2 3.92Å; I70-I129 HydrophobicContact CD1-CG2 3.81Å; I70-I129 HydrophobicContact CG1-CG2 3.88Å; I70-C130 PolarHBondContact N-O 3.16Å; I70-V131 HydrophobicContact CB-CG1 4.41Å; I70-V131 HydrophobicContact CB-CG2 4.46Å; I70-F132 PolarHBondContact O-N 2.86Å
71D98.6Very high93.7Very high5 Ų537.3 Ų37.33%0.02719%0.186CC..EExtended strand (participates in β ladder)trans-87.4110.2176.8178.810.8000110.2C73 H91 V92 K93 I94 F132D71-C73 WeakPolarHBondContact OD1-CB 3.27Å; D71-C73 PolarHBondContact OD1-N 3.28Å; D71-C73 PolarHBondContact OD1-SG 3.4Å; D71-H91 WeakPolarHBondContact CB-NE2 3.47Å; D71-H91 IonicContact OD2-NE2 3.37Å; D71-V92 PolarHBondContact N-O 3.17Å; D71-K93 HydrophobicContact CB-CD 3.96Å; D71-K93 IonicContact OD1-NZ 2.73Å; D71-K93 VanDerWaalsContact OD2-CD 3.27Å; D71-K93 WeakPolarHBondContact OD2-CD 3.21Å; D71-K93 IonicContact OD2-NZ 3.78Å; D71-K93 PolarHBondContact OD2-NZ 3.26Å; D71-I94 PolarHBondContact O-N 2.83Å; D71-F132 HydrophobicContact CB-CD2 4.32Å; D71-F132 HydrophobicContact CB-CE2 3.47Å; D71-F132 VanDerWaalsContact CB-CE2 3.47Å; D71-F132 HydrophobicContact CB-CZ 3.57Å; D71-F132 VanDerWaalsContact OD1-CE2 3.23Å; D71-F132 WeakPolarHBondContact OD1-CE2 3.13Å
72L98.6Very high93.9Very high1 Ų133.9 Ų33.91%0.00518%0.178CC..  trans-99.110177.8-56.5174000113I70 I94 A96 F110 V131 F132 R139 F143I70-L72 HydrophobicContact CG2-CD2 3.9Å; I70-L72 HydrophobicContact CG2-CG 4.3Å; L72-I94 VanDerWaalsContact CA-O 3.29Å; L72-I94 WeakPolarHBondContact CA-O 3.46Å; L72-I94 HydrophobicContact CD2-CB 4.01Å; L72-I94 HydrophobicContact CD2-CG2 4.44Å; L72-A96 HydrophobicContact CB-CB 4.35Å; L72-F110 HydrophobicContact CD2-CD2 4.25Å; L72-V131 HydrophobicContact CD1-CG1 3.61Å; L72-V131 HydrophobicContact CG-CG1 4.24Å; L72-F132 WeakPolarHBondContact CA-O 3.19Å; L72-F132 VanDerWaalsContact CB-O 3.28Å; L72-F132 WeakPolarHBondContact CB-O 3.3Å; L72-F132 PolarHBondContact N-O 3.49Å; L72-R139 HydrophobicContact CB-CB 4.38Å; L72-R139 HydrophobicContact CD1-CB 4.5Å; L72-F143 HydrophobicContact CD1-CB 3.96Å; L72-F143 HydrophobicContact CD1-CD2 3.75Å; L72-F143 HydrophobicContact CD1-CE2 4.49Å; L72-F143 HydrophobicContact CD1-CG 4.01Å; L72-F143 HydrophobicContact CD2-CD1 4.45Å; L72-F143 HydrophobicContact CD2-CD2 4.07Å; L72-F143 HydrophobicContact CD2-CE2 4.19Å; L72-F143 HydrophobicContact CD2-CG 4.19Å; L72-F143 HydrophobicContact CD2-CZ 4.41Å; L72-F143 HydrophobicContact CG-CD2 4.5Å
73C95.9Very high94Very high2 Ų232.4 Ų32.41%0.01418%0.175CC..  trans-69.3135.4179-60.40000110.4D71 T75 Y78 K93D71-C73 WeakPolarHBondContact OD1-CB 3.27Å; D71-C73 PolarHBondContact OD1-N 3.28Å; D71-C73 PolarHBondContact OD1-SG 3.4Å; C73-T75 HydrophobicContact CB-CG2 4.39Å; C73-T75 PolarHBondContact O-N 3.16Å; C73-Y78 HydrophobicContact CB-CD2 4.34Å; C73-K93 VanDerWaalsContact O-CE 3.28Å; C73-K93 WeakPolarHBondContact O-CE 2.95Å; C73-K93 PolarHBondContact O-NZ 2.95Å
74D94.2Very high94.2Very high86 Ų8629.6 Ų29.646%0.4616%0.16SC..SBendtrans-78.138174.5-163.934.3000112.7P97D74-P97 WeakPolarHBondContact OD2-CA 3.46Å
75T93.4Very high94Very high29 Ų2932.7 Ų32.718%0.17818%0.177CC..  trans-171.3150.9-177.2-169.20000111C73 R77 Y78 K93C73-T75 HydrophobicContact CB-CG2 4.39Å; C73-T75 PolarHBondContact O-N 3.16Å; T75-R77 HydrophobicContact CG2-CB 4.3Å; T75-R77 VanDerWaalsContact OG1-CG 3.23Å; T75-R77 WeakPolarHBondContact OG1-CG 3.38Å; T75-R77 PolarHBondContact OG1-N 3.42Å; T75-R77 PolarHBondContact OG1-NE 3.24Å; T75-Y78 HydrophobicContact CG2-CD2 3.58Å; T75-Y78 HydrophobicContact CG2-CE1 4.4Å; T75-Y78 HydrophobicContact CG2-CE2 3.31Å; T75-Y78 HydrophobicContact CG2-CG 4.24Å; T75-K93 PolarHBondContact O-NZ 3.39Å
76D92.3Very high93.7Very high102 Ų10234.5 Ų34.555%0.54519%0.193SC..SBendtrans-100.418.2172.9-58-33.3000112.7K93 F95D76-K93 WeakPolarHBondContact OD1-CE 3.41Å; D76-K93 IonicContact OD1-NZ 3.61Å; D76-K93 PolarHBondContact OD1-NZ 2.99Å; D76-K93 VanDerWaalsContact OD1-NZ 3.11Å; D76-F95 WeakPolarHBondContact OD1-CE1 3.45Å; D76-F95 WeakPolarHBondContact OD1-CZ 3.23Å; D76-F95 WeakPolarHBondContact OD2-CZ 3.24Å
77R92.9Very high93.3Very high63 Ų6335.3 Ų35.324%0.23820%0.196CC..SBendtrans-77.2-25.9-175.8-72.3-177.8-58.2129.2-1.4113.9K5 R6 R36 L39 T75K5-R77 PolarHBondContact O-NH1 3.24Å; R6-R77 HydrophobicContact CG-CG 4.45Å; R36-R77 PolarHBondContact NE-O 3.26Å; L39-R77 WeakPolarHBondContact CD1-O 3.2Å; T75-R77 HydrophobicContact CG2-CB 4.3Å; T75-R77 VanDerWaalsContact OG1-CG 3.23Å; T75-R77 WeakPolarHBondContact OG1-CG 3.38Å; T75-R77 PolarHBondContact OG1-N 3.42Å; T75-R77 PolarHBondContact OG1-NE 3.24Å
78Y94.2Very high92.9Very high16 Ų1638.3 Ų38.36%0.06323%0.227CC..SBendtrans-92.4-38.8-162.9-58.9-35000113.3P10 T33 L35 R36 L39 C73 T75 T134P10-Y78 HydrophobicContact CB-CE1 4.16Å; P10-Y78 HydrophobicContact CB-CE2 4.31Å; P10-Y78 WeakPolarHBondContact CB-OH 3.35Å; P10-Y78 HydrophobicContact CG-CD1 4.01Å; P10-Y78 HydrophobicContact CG-CD2 4.43Å; P10-Y78 HydrophobicContact CG-CE1 3.57Å; P10-Y78 HydrophobicContact CG-CE2 4.03Å; P10-Y78 HydrophobicContact CG-CG 4.41Å; T33-Y78 HydrophobicContact CG2-CD2 3.98Å; T33-Y78 HydrophobicContact CG2-CG 4.24Å; L35-Y78 CarbonylContact C-O 3.56Å; L35-Y78 WeakPolarHBondContact CA-O 3.3Å; L35-Y78 HydrophobicContact CD2-CD1 4.36Å; L35-Y78 HydrophobicContact CD2-CG 4.37Å; R36-Y78 WeakPolarHBondContact CG-O 3.48Å; R36-Y78 PolarHBondContact N-O 3.09Å; L39-Y78 HydrophobicContact CD1-CD1 3.9Å; C73-Y78 HydrophobicContact CB-CD2 4.34Å; T75-Y78 HydrophobicContact CG2-CD2 3.58Å; T75-Y78 HydrophobicContact CG2-CE1 4.4Å; T75-Y78 HydrophobicContact CG2-CE2 3.31Å; T75-Y78 HydrophobicContact CG2-CG 4.24Å; Y78-T134 HydrophobicContact CE2-CG2 4.16Å
79V93.1Very high92.7Very high11 Ų1138.7 Ų38.77%0.06723%0.229CC..  trans-118.4147.4-174.5-170.10000110T33 P34 V52 F84 F132T33-V79 WeakPolarHBondContact OG1-CG2 3.43Å; P34-V79 HydrophobicContact CG-CG2 4.14Å; P34-V79 WeakPolarHBondContact O-CG2 3.43Å; V52-V79 HydrophobicContact CG2-CG1 4.12Å; V79-F84 HydrophobicContact CB-CE2 4.45Å; V79-F84 HydrophobicContact CG1-CD2 4.16Å; V79-F84 HydrophobicContact CG1-CE2 3.3Å; V79-F84 HydrophobicContact CG1-CZ 3.75Å; V79-F132 HydrophobicContact CG2-CE2 4.02Å; V79-F132 HydrophobicContact CG2-CZ 4.2Å
80D90.8Very high92.5Very high94 Ų9443.4 Ų43.450%0.50325%0.251SS..  trans-94.4113.4164.2176.88.1000108.5G82 A83D80-G82 PolarHBondContact O-N 3.27Å; D80-G82 PolarHBondContact OD1-N 3.33Å; D80-G82 VanDerWaalsContact OD1-N 3.11Å; D80-A83 HydrophobicContact CB-CB 4.45Å; D80-A83 VanDerWaalsContact O-CB 3.24Å; D80-A83 WeakPolarHBondContact O-CB 3.38Å; D80-A83 PolarHBondContact O-N 3.24Å
81P90.2Very high92.5Very high53 Ų5345.4 Ų45.434%0.34426%0.26SS..Hα-helixtrans-54.5-36.6178.7-27.836.5000113.5A83 F84 E85P81-A83 PolarHBondContact O-N 3.11Å; P81-A83 VanDerWaalsContact O-N 3.13Å; P81-F84 PolarHBondContact O-N 3.39Å; P81-E85 PolarHBondContact O-N 3.48Å
82G90.7Very high92.5Very high29 Ų2946.4 Ų46.430%0.29927%0.266SS..Hα-helixtrans-63.3-21.7-179.800000113.1D80 F84 E85 S86D80-G82 PolarHBondContact O-N 3.27Å; D80-G82 PolarHBondContact OD1-N 3.33Å; D80-G82 VanDerWaalsContact OD1-N 3.11Å; G82-F84 VanDerWaalsContact C-N 3.34Å; G82-F84 PolarHBondContact O-N 3.14Å; G82-E85 PolarHBondContact O-N 3.08Å; G82-S86 PolarHBondContact O-N 3.45Å
83A90.4Very high92.5Very high22 Ų2248.8 Ų48.818%0.18228%0.276CS..Hα-helixtrans-63.5-39.6173.900000111.6V52 D80 P81 S86V52-A83 HydrophobicContact CB-CB 4.15Å; V52-A83 HydrophobicContact CG1-CB 4.26Å; V52-A83 HydrophobicContact CG2-CB 3.95Å; D80-A83 HydrophobicContact CB-CB 4.45Å; D80-A83 VanDerWaalsContact O-CB 3.24Å; D80-A83 WeakPolarHBondContact O-CB 3.38Å; D80-A83 PolarHBondContact O-N 3.24Å; P81-A83 PolarHBondContact O-N 3.11Å; P81-A83 VanDerWaalsContact O-N 3.13Å; A83-S86 PolarHBondContact O-OG 3.25Å
84F92.5Very high92.6Very high1 Ų149.2 Ų49.20%0.00428%0.279CS..Hα-helixtrans-70.7-43.3177.3-64.2-64.7000112P34 V52 L55 V69 V79 P81 G82 S86 W87 G88 I89 H91 F132P34-F84 HydrophobicContact CG-CE1 4.48Å; P34-F84 HydrophobicContact CG-CZ 3.99Å; V52-F84 HydrophobicContact CB-CE1 4.27Å; V52-F84 HydrophobicContact CG1-CD1 3.59Å; V52-F84 HydrophobicContact CG1-CE1 3.7Å; V52-F84 HydrophobicContact CG1-CG 4.4Å; V52-F84 HydrophobicContact CG2-CD1 4.19Å; V52-F84 HydrophobicContact CG2-CE1 3.69Å; V52-F84 HydrophobicContact CG2-CE2 4.37Å; V52-F84 HydrophobicContact CG2-CZ 3.79Å; L55-F84 HydrophobicContact CD2-CE1 4.27Å; V69-F84 HydrophobicContact CB-CE1 4.32Å; V69-F84 HydrophobicContact CB-CZ 4.44Å; V69-F84 HydrophobicContact CG1-CD1 3.97Å; V69-F84 HydrophobicContact CG1-CE1 3.75Å; V69-F84 HydrophobicContact CG1-CZ 4.33Å; V69-F84 HydrophobicContact CG2-CD1 3.88Å; V69-F84 HydrophobicContact CG2-CD2 3.84Å; V69-F84 HydrophobicContact CG2-CE1 3.88Å; V69-F84 HydrophobicContact CG2-CE2 3.8Å; V69-F84 HydrophobicContact CG2-CG 3.87Å; V69-F84 HydrophobicContact CG2-CZ 3.84Å; V79-F84 HydrophobicContact CB-CE2 4.45Å; V79-F84 HydrophobicContact CG1-CD2 4.16Å; V79-F84 HydrophobicContact CG1-CE2 3.3Å; V79-F84 HydrophobicContact CG1-CZ 3.75Å; P81-F84 PolarHBondContact O-N 3.39Å; G82-F84 VanDerWaalsContact C-N 3.34Å; G82-F84 PolarHBondContact O-N 3.14Å; F84-S86 PolarHBondContact O-N 3.47Å; F84-W87 WeakPolarHBondContact O-CA 3.13Å; F84-W87 WeakPolarHBondContact O-CB 3.13Å; F84-W87 PolarHBondContact O-N 2.66Å; F84-G88 PolarHBondContact O-N 2.78Å; F84-I89 CarbonylContact C-O 3.56Å; F84-I89 HydrophobicContact CB-CB 4.16Å; F84-I89 HydrophobicContact CB-CG2 4.41Å; F84-I89 HydrophobicContact CD1-CG2 4.45Å; F84-I89 WeakPolarHBondContact O-CB 3.32Å; F84-I89 PolarHBondContact O-N 2.71Å; F84-H91 HydrophobicContact CB-CB 4.21Å; F84-H91 HydrophobicContact CD2-CB 3.97Å; F84-H91 AromaticContact CD2-CD2 3.44Å; F84-H91 VanDerWaalsContact CD2-CD2 3.44Å; F84-H91 WeakPolarHBondContact CD2-CD2 3.34Å; F84-H91 AromaticContact CD2-CG 3.86Å; F84-H91 AromaticContact CE2-CD2 3.47Å; F84-H91 VanDerWaalsContact CE2-CD2 3.47Å; F84-H91 WeakPolarHBondContact CE2-CD2 3.32Å; F84-H91 HydrophobicContact CG-CB 4.42Å; F84-F132 HydrophobicContact CE1-CE1 4.45Å; F84-F132 HydrophobicContact CE2-CE1 4.33Å; F84-F132 HydrophobicContact CE2-CZ 4.02Å; F84-F132 AromaticContact CZ-CE1 3.68Å; F84-F132 HydrophobicContact CZ-CE1 3.68Å; F84-F132 AromaticContact CZ-CZ 3.73Å; F84-F132 HydrophobicContact CZ-CZ 3.73Å
85E87.7Confident92.7Very high134 Ų13449.6 Ų49.663%0.62628%0.276SS*.Hα-helixtrans-59.1-38.1178.3-66172.4-175.600111.4P81 G82 W87 G88P81-E85 PolarHBondContact O-N 3.48Å; G82-E85 PolarHBondContact O-N 3.08Å; E85-W87 PolarHBondContact O-N 2.78Å; E85-W87 VanDerWaalsContact O-N 3.08Å; E85-G88 PolarHBondContact O-N 3.27Å
86S86Confident92.7Very high63 Ų6348.4 Ų48.444%0.44127%0.269SS..THydrogen-bonded Turntrans-62.2-16.5175.281.80000114.6G82 A83 F84G82-S86 PolarHBondContact O-N 3.45Å; A83-S86 PolarHBondContact O-OG 3.25Å; F84-S86 PolarHBondContact O-N 3.47Å
87W86.4Confident92.6Very high31 Ų3144.8 Ų44.812%0.11725%0.251CS..THydrogen-bonded Turntrans-101.83.7174.3-74.5107.3000113.1E53 V56 F84 E85 I89 Y344 L347 K348E53-W87 HydrophobicContact CG-CZ2 4.36Å; V56-W87 HydrophobicContact CG1-CD2 4.19Å; V56-W87 HydrophobicContact CG1-CE3 4.03Å; V56-W87 HydrophobicContact CG1-CZ3 4.26Å; V56-W87 HydrophobicContact CG2-CD2 4.2Å; V56-W87 HydrophobicContact CG2-CG 4.06Å; F84-W87 WeakPolarHBondContact O-CA 3.13Å; F84-W87 WeakPolarHBondContact O-CB 3.13Å; F84-W87 PolarHBondContact O-N 2.66Å; E85-W87 PolarHBondContact O-N 2.78Å; E85-W87 VanDerWaalsContact O-N 3.08Å; W87-I89 VanDerWaalsContact C-N 3.27Å; W87-I89 HydrophobicContact CB-CD1 3.6Å; W87-I89 HydrophobicContact CB-CG1 3.85Å; W87-I89 HydrophobicContact CG-CD1 4.4Å; W87-Y344 AromaticContact CH2-CD1 3.55Å; W87-Y344 HydrophobicContact CH2-CD1 3.55Å; W87-Y344 HydrophobicContact CH2-CE1 4.22Å; W87-Y344 HydrophobicContact CH2-CG 4.37Å; W87-Y344 AromaticContact CZ2-CD1 3.78Å; W87-Y344 HydrophobicContact CZ2-CD1 3.78Å; W87-Y344 HydrophobicContact CZ2-CE1 4.23Å; W87-Y344 HydrophobicContact CZ2-CG 4.46Å; W87-L347 HydrophobicContact CH2-CB 4.25Å; W87-L347 HydrophobicContact CZ3-CB 4.02Å; W87-K348 HydrophobicContact CD2-CG 4.45Å; W87-K348 HydrophobicContact CE3-CG 4.23Å; W87-K348 HydrophobicContact CH2-CD 4.47Å; W87-K348 HydrophobicContact CH2-CG 3.67Å; W87-K348 HydrophobicContact CZ2-CD 4.36Å; W87-K348 VanDerWaalsContact CZ2-CE 3.45Å; W87-K348 HydrophobicContact CZ2-CG 3.99Å; W87-K348 HydrophobicContact CZ3-CG 3.84Å
88G87.6Confident92Very high63 Ų6343.3 Ų43.365%0.64926%0.255SS*.THydrogen-bonded Turntrans69.125.1-173.900000113.3F84 E85F84-G88 PolarHBondContact O-N 2.78Å; E85-G88 PolarHBondContact O-N 3.27Å
89I92.9Very high91.3Very high8 Ų846.4 Ų46.44%0.04127%0.273CS..PPolyproline II helixtrans-100.7128.2-177.5-59.4168.1000109.2V56 I66 V69 F84 W87 H91V56-I89 HydrophobicContact CG2-CD1 3.71Å; I66-I89 HydrophobicContact CB-CD1 3.86Å; I66-I89 HydrophobicContact CB-CG1 4.15Å; I66-I89 HydrophobicContact CB-CG2 4.34Å; I66-I89 HydrophobicContact CD1-CD1 4.12Å; I66-I89 HydrophobicContact CG2-CD1 4.14Å; I66-I89 HydrophobicContact CG2-CG1 4.33Å; I66-I89 HydrophobicContact CG2-CG2 3.6Å; V69-I89 HydrophobicContact CG1-CG2 3.86Å; V69-I89 HydrophobicContact CG2-CG2 4.46Å; F84-I89 CarbonylContact C-O 3.56Å; F84-I89 HydrophobicContact CB-CB 4.16Å; F84-I89 HydrophobicContact CB-CG2 4.41Å; F84-I89 HydrophobicContact CD1-CG2 4.45Å; F84-I89 WeakPolarHBondContact O-CB 3.32Å; F84-I89 PolarHBondContact O-N 2.71Å; W87-I89 VanDerWaalsContact C-N 3.27Å; W87-I89 HydrophobicContact CB-CD1 3.6Å; W87-I89 HydrophobicContact CB-CG1 3.85Å; W87-I89 HydrophobicContact CG-CD1 4.4Å; I89-H91 PolarHBondContact O-N 3.2Å
90Q96.2Very high91Very high99 Ų9953 Ų5346%0.46330%0.297SS..EExtended strand (participates in β ladder)trans-70.7124.3175.4-173.5178.70.800110.6G67 M68 V69 V92G67-Q90 PolarHBondContact O-N 3Å; G67-Q90 VanDerWaalsContact O-N 3.11Å; M68-Q90 CarbonylContact C-O 3.57Å; M68-Q90 WeakPolarHBondContact CA-O 3.46Å; M68-Q90 HydrophobicContact CB-CB 4.45Å; M68-Q90 HydrophobicContact CE-CG 4.38Å; M68-Q90 HydrophobicContact CG-CB 4.48Å; V69-Q90 PolarHBondContact N-O 3.16Å; Q90-V92 HydrophobicContact CG-CG2 4.31Å
91H97.7Very high91Very high42 Ų4250.2 Ų50.219%0.19428%0.282CS..EExtended strand (participates in β ladder)trans-99.9119175.1175.9-109.4000111V69 D71 F84 I89V69-H91 HydrophobicContact CG2-CB 4.1Å; D71-H91 WeakPolarHBondContact CB-NE2 3.47Å; D71-H91 IonicContact OD2-NE2 3.37Å; F84-H91 HydrophobicContact CB-CB 4.21Å; F84-H91 HydrophobicContact CD2-CB 3.97Å; F84-H91 AromaticContact CD2-CD2 3.44Å; F84-H91 VanDerWaalsContact CD2-CD2 3.44Å; F84-H91 WeakPolarHBondContact CD2-CD2 3.34Å; F84-H91 AromaticContact CD2-CG 3.86Å; F84-H91 AromaticContact CE2-CD2 3.47Å; F84-H91 VanDerWaalsContact CE2-CD2 3.47Å; F84-H91 WeakPolarHBondContact CE2-CD2 3.32Å; F84-H91 HydrophobicContact CG-CB 4.42Å; I89-H91 PolarHBondContact O-N 3.2Å
92V98.5Very high91.1Very high25 Ų2548.1 Ų48.115%0.15227%0.268CS..EExtended strand (participates in β ladder)trans-112.3116.8176.1179.10000109.4M68 V69 I70 D71 Q90 I94 A113M68-V92 HydrophobicContact CE-CG2 4.03Å; M68-V92 HydrophobicContact CG-CG2 4Å; M68-V92 HydrophobicContact SD-CG2 3.85Å; V69-V92 PolarHBondContact O-N 3.33Å; I70-V92 CarbonylContact C-O 3.52Å; I70-V92 WeakPolarHBondContact CA-O 3.34Å; I70-V92 HydrophobicContact CG1-CB 4.3Å; D71-V92 PolarHBondContact N-O 3.17Å; Q90-V92 HydrophobicContact CG-CG2 4.31Å; V92-I94 HydrophobicContact CG1-CD1 4.41Å; V92-I94 HydrophobicContact CG1-CG1 4.25Å; V92-A113 HydrophobicContact CG1-CB 3.96Å; V92-A113 HydrophobicContact CG2-CB 4.32Å
93K98.2Very high91.3Very high51 Ų5152.5 Ų52.522%0.22228%0.281CS..EExtended strand (participates in β ladder)trans-96.5127.3177.9179.962.3172.8-162.10111.3D71 C73 T75 D76 F95D71-K93 HydrophobicContact CB-CD 3.96Å; D71-K93 IonicContact OD1-NZ 2.73Å; D71-K93 VanDerWaalsContact OD2-CD 3.27Å; D71-K93 WeakPolarHBondContact OD2-CD 3.21Å; D71-K93 IonicContact OD2-NZ 3.78Å; D71-K93 PolarHBondContact OD2-NZ 3.26Å; C73-K93 VanDerWaalsContact O-CE 3.28Å; C73-K93 WeakPolarHBondContact O-CE 2.95Å; C73-K93 PolarHBondContact O-NZ 2.95Å; T75-K93 PolarHBondContact O-NZ 3.39Å; D76-K93 WeakPolarHBondContact OD1-CE 3.41Å; D76-K93 IonicContact OD1-NZ 3.61Å; D76-K93 PolarHBondContact OD1-NZ 2.99Å; D76-K93 VanDerWaalsContact OD1-NZ 3.11Å; K93-F95 HydrophobicContact CD-CZ 4.36Å; K93-F95 HydrophobicContact CG-CD2 4.26Å; K93-F95 HydrophobicContact CG-CE2 3.82Å; K93-F95 HydrophobicContact CG-CZ 4.02Å
94I98.4Very high91.6Very high12 Ų1255.8 Ų55.86%0.06229%0.292CS..  trans-134.6107.7171-55.4173.1000108.2I70 D71 L72 V92 A96 A109 F110I70-I94 HydrophobicContact CG2-CD1 4.06Å; D71-I94 PolarHBondContact O-N 2.83Å; L72-I94 VanDerWaalsContact CA-O 3.29Å; L72-I94 WeakPolarHBondContact CA-O 3.46Å; L72-I94 HydrophobicContact CD2-CB 4.01Å; L72-I94 HydrophobicContact CD2-CG2 4.44Å; V92-I94 HydrophobicContact CG1-CD1 4.41Å; V92-I94 HydrophobicContact CG1-CG1 4.25Å; I94-A96 PolarHBondContact O-N 3.04Å; I94-A109 HydrophobicContact CD1-CB 4Å; I94-A109 HydrophobicContact CG1-CB 4.36Å; I94-F110 HydrophobicContact CD1-CB 3.84Å; I94-F110 HydrophobicContact CD1-CD2 4.37Å
95F96.8Very high91.8Very high94 Ų9459.1 Ų59.141%0.41232%0.316SS..  trans-65.5120.5176.7-65.2-84.5000110.8D76 K93D76-F95 WeakPolarHBondContact OD1-CE1 3.45Å; D76-F95 WeakPolarHBondContact OD1-CZ 3.23Å; D76-F95 WeakPolarHBondContact OD2-CZ 3.24Å; K93-F95 HydrophobicContact CD-CZ 4.36Å; K93-F95 HydrophobicContact CG-CD2 4.26Å; K93-F95 HydrophobicContact CG-CE2 3.82Å; K93-F95 HydrophobicContact CG-CZ 4.02Å
96A93.7Very high92.3Very high4 Ų453.8 Ų53.83%0.03329%0.293CS..  trans-125.987-178.900000111.6L72 I94 R139 F143L72-A96 HydrophobicContact CB-CB 4.35Å; I94-A96 PolarHBondContact O-N 3.04Å; A96-R139 HydrophobicContact CB-CB 4.49Å; A96-R139 HydrophobicContact CB-CG 4.24Å; A96-F143 HydrophobicContact CB-CE2 3.75Å; A96-F143 HydrophobicContact CB-CZ 4.19Å
97P89.7Confident92.9Very high26 Ų2650.8 Ų50.817%0.16927%0.272CS..  trans-53140.7-178.3-28.135.1000113.3D74 N99 R139D74-P97 WeakPolarHBondContact OD2-CA 3.46Å; P97-N99 PolarHBondContact O-N 2.95Å; P97-R139 PolarHBondContact O-NE 2.88Å; P97-R139 PolarHBondContact O-NH2 2.89Å
98G80.5Confident93.5Very high31 Ų3153 Ų5332%0.3229%0.286SS..THydrogen-bonded Turntrans-74.1-16.1-170.400000117.6R139 Y241G98-R139 VanDerWaalsContact CA-NH2 3.26Å; G98-R139 PolarHBondContact O-NH2 2.88Å; G98-Y241 PolarHBondContact O-OH 3.29Å; G98-Y241 VanDerWaalsContact O-OH 3.12Å
99N79.7Confident94Very high82 Ų8251.9 Ų51.944%0.43927%0.271SS..THydrogen-bonded Turntrans-104.46.5-166.464.4-9000117P97 D239P97-N99 PolarHBondContact O-N 2.95Å; N99-D239 HydrophobicContact CB-CB 3.97Å
100R85.4Confident94.3Very high149 Ų14951.5 Ų51.556%0.56227%0.269SS*.SBendtrans-146.8172.4-177.656.8-173-179.5-1661.8112.7R139R100-R139 PolarHBondContact O-NH1 3.48Å; R100-R139 PolarHBondContact O-NH2 2.85Å
101L91Very high94.4Very high35 Ų3546.9 Ų46.918%0.18325%0.247CC..PPolyproline II helixtrans-63.3141.7164.6-69.2-172.2000109.2Y142 L176 N179 F248L101-Y142 HydrophobicContact CD2-CE2 4.42Å; L101-L176 HydrophobicContact CD2-CD2 3.52Å; L101-N179 HydrophobicContact CD1-CB 3.97Å; L101-N179 HydrophobicContact CD2-CB 4Å; L101-F248 HydrophobicContact CD1-CD1 4.08Å; L101-F248 HydrophobicContact CD1-CE1 3.34Å; L101-F248 HydrophobicContact CD1-CZ 4.12Å; L101-F248 HydrophobicContact CG-CE1 3.64Å; L101-F248 HydrophobicContact CG-CZ 4Å
102P94.2Very high94.4Very high10 Ų1050.2 Ų50.27%0.06527%0.266CS..PPolyproline II helixtrans-58.8139.6172.1-27.240.4000111.1V107 Y142 F143P102-V107 HydrophobicContact CB-CG2 4.36Å; P102-Y142 HydrophobicContact CB-CD1 4.09Å; P102-Y142 HydrophobicContact CB-CE1 3.86Å; P102-Y142 VanDerWaalsContact CD-CE1 3.48Å; P102-Y142 HydrophobicContact CG-CD1 3.41Å; P102-Y142 VanDerWaalsContact CG-CD1 3.41Å; P102-Y142 HydrophobicContact CG-CE1 3.55Å; P102-Y142 HydrophobicContact CG-CG 4.14Å; P102-F143 HydrophobicContact CB-CE1 4.43Å; P102-F143 HydrophobicContact CB-CE2 3.64Å; P102-F143 HydrophobicContact CB-CZ 3.54Å; P102-F143 HydrophobicContact CG-CD2 4.4Å; P102-F143 HydrophobicContact CG-CE2 3.67Å; P102-F143 HydrophobicContact CG-CZ 4.12Å
103H94.2Very high94.5Very high121 Ų12149.5 Ų49.556%0.5626%0.264SS*.PPolyproline II helixtrans-70147.6-179.6-170.6-97000110.8S105 S106 V107H103-S105 WeakPolarHBondContact ND1-CB 3.44Å; H103-S105 PolarHBondContact ND1-N 3.07Å; H103-S105 PolarHBondContact ND1-OG 3.3Å; H103-S105 PolarHBondContact O-N 3.15Å; H103-S106 WeakPolarHBondContact O-CA 3.01Å; H103-S106 WeakPolarHBondContact O-CB 3.36Å; H103-S106 PolarHBondContact O-N 3.06Å; H103-V107 PolarHBondContact O-N 3.36Å; H103-V107 VanDerWaalsContact O-N 3.12Å
104E96Very high94.5Very high91 Ų9147.1 Ų47.143%0.42525%0.253SS..Hα-helixtrans-56.7-35.4-178.5-69.4-55.2130.100112.9S106 V107 N108 R146E104-S106 VanDerWaalsContact C-N 3.33Å; E104-S106 PolarHBondContact O-N 3.46Å; E104-V107 PolarHBondContact O-N 3.44Å; E104-N108 WeakPolarHBondContact O-CB 3.48Å; E104-N108 PolarHBondContact O-N 2.87Å; E104-N108 PolarHBondContact O-ND2 3.3Å; E104-R146 IonicContact OE1-CZ 3.48Å; E104-R146 IonicContact OE1-NH1 3Å; E104-R146 PolarHBondContact OE1-NH1 2.64Å; E104-R146 IonicContact OE1-NH2 2.78Å; E104-R146 PolarHBondContact OE1-NH2 3.23Å; E104-R146 IonicContact OE2-CZ 3.61Å; E104-R146 IonicContact OE2-NH1 2.71Å; E104-R146 IonicContact OE2-NH2 2.78Å; E104-R146 PolarHBondContact OE2-NH2 2.82Å
105S97.1Very high94.4Very high71 Ų7150 Ų5050%0.49727%0.266SS..Hα-helixtrans-62.4-38.617565.30000112.7H103 N108 A109H103-S105 WeakPolarHBondContact ND1-CB 3.44Å; H103-S105 PolarHBondContact ND1-N 3.07Å; H103-S105 PolarHBondContact ND1-OG 3.3Å; H103-S105 PolarHBondContact O-N 3.15Å; S105-N108 PolarHBondContact O-N 3.35Å; S105-A109 WeakPolarHBondContact O-CB 3.39Å; S105-A109 PolarHBondContact O-N 2.84Å
106S98.1Very high94.5Very high21 Ų2146.7 Ų46.715%0.14726%0.257CS..Hα-helixtrans-66-41.8174.9-540000110.7H103 E104 A109 F110 F143H103-S106 WeakPolarHBondContact O-CA 3.01Å; H103-S106 WeakPolarHBondContact O-CB 3.36Å; H103-S106 PolarHBondContact O-N 3.06Å; E104-S106 VanDerWaalsContact C-N 3.33Å; E104-S106 PolarHBondContact O-N 3.46Å; S106-A109 PolarHBondContact O-N 2.98Å; S106-F110 PolarHBondContact O-N 2.51Å; S106-F143 WeakPolarHBondContact O-CE1 3.28Å
107V98.4Very high94.7Very high0 Ų046.8 Ų46.80%026%0.256CS..Hα-helixtrans-62.8-44.8177.4175.40000110.7P102 H103 E104 A109 F110 F111 Y142 F143 R146P102-V107 HydrophobicContact CB-CG2 4.36Å; H103-V107 PolarHBondContact O-N 3.36Å; H103-V107 VanDerWaalsContact O-N 3.12Å; E104-V107 PolarHBondContact O-N 3.44Å; V107-A109 PolarHBondContact O-N 3.44Å; V107-F110 WeakPolarHBondContact O-CB 3.44Å; V107-F110 PolarHBondContact O-N 2.79Å; V107-F111 HydrophobicContact CG1-CD1 4.28Å; V107-F111 HydrophobicContact CG1-CD2 4.31Å; V107-F111 HydrophobicContact CG1-CE1 3.74Å; V107-F111 HydrophobicContact CG1-CE2 3.81Å; V107-F111 HydrophobicContact CG1-CZ 3.52Å; V107-F111 WeakPolarHBondContact O-CD1 3.36Å; V107-F111 WeakPolarHBondContact O-CG 3.39Å; V107-F111 PolarHBondContact O-N 3.43Å; V107-Y142 HydrophobicContact CG2-CE1 4.16Å; V107-F143 HydrophobicContact CG2-CD1 4.46Å; V107-F143 HydrophobicContact CG2-CE1 4.03Å; V107-R146 HydrophobicContact CG1-CG 4.07Å
108N98.4Very high94.9Very high77 Ų7746.9 Ų46.941%0.41226%0.255SS..Hα-helixtrans-64.4-39.1175.7-73.5-37.2000112.4E104 S105 F110 F111 N112E104-N108 WeakPolarHBondContact O-CB 3.48Å; E104-N108 PolarHBondContact O-N 2.87Å; E104-N108 PolarHBondContact O-ND2 3.3Å; S105-N108 PolarHBondContact O-N 3.35Å; N108-F110 VanDerWaalsContact C-N 3.31Å; N108-F110 PolarHBondContact O-N 2.99Å; N108-F111 PolarHBondContact O-N 2.81Å; N108-N112 WeakPolarHBondContact O-CB 3.37Å; N108-N112 PolarHBondContact O-N 3.4Å; N108-N112 PolarHBondContact O-ND2 2.68Å
109A98.8Very high95.6Very high40 Ų4054 Ų5433%0.33127%0.273SS..Hα-helixtrans-61-41.4173.300000111.7I94 S105 S106 V107 N112 A113I94-A109 HydrophobicContact CD1-CB 4Å; I94-A109 HydrophobicContact CG1-CB 4.36Å; S105-A109 WeakPolarHBondContact O-CB 3.39Å; S105-A109 PolarHBondContact O-N 2.84Å; S106-A109 PolarHBondContact O-N 2.98Å; V107-A109 PolarHBondContact O-N 3.44Å; A109-N112 PolarHBondContact O-N 3.36Å; A109-A113 WeakPolarHBondContact O-CB 3.39Å; A109-A113 PolarHBondContact O-N 3.19Å
110F98.9Very high96.3Very high0 Ų054.4 Ų54.40%028%0.278CS..Hα-helixtrans-62-47.5174.4-175.6-89.9000111.1F28 I70 L72 I94 S106 V107 N108 N112 A113 V114 V131 F143 V144 Y147F28-F110 HydrophobicContact CE1-CE1 4.33Å; F28-F110 HydrophobicContact CE1-CZ 4.05Å; F28-F110 HydrophobicContact CZ-CE1 4.42Å; I70-F110 HydrophobicContact CB-CE2 4.25Å; I70-F110 HydrophobicContact CD1-CD2 3.85Å; I70-F110 HydrophobicContact CD1-CE2 3.56Å; I70-F110 HydrophobicContact CD1-CZ 4.12Å; I70-F110 HydrophobicContact CG1-CE2 4.5Å; I70-F110 HydrophobicContact CG2-CD2 3.78Å; I70-F110 HydrophobicContact CG2-CE2 3.93Å; L72-F110 HydrophobicContact CD2-CD2 4.25Å; I94-F110 HydrophobicContact CD1-CB 3.84Å; I94-F110 HydrophobicContact CD1-CD2 4.37Å; S106-F110 PolarHBondContact O-N 2.51Å; V107-F110 WeakPolarHBondContact O-CB 3.44Å; V107-F110 PolarHBondContact O-N 2.79Å; N108-F110 VanDerWaalsContact C-N 3.31Å; N108-F110 PolarHBondContact O-N 2.99Å; F110-N112 PolarHBondContact O-N 3.48Å; F110-A113 PolarHBondContact O-N 3.43Å; F110-V114 HydrophobicContact CD1-CG2 4.09Å; F110-V114 HydrophobicContact CE1-CG2 3.73Å; F110-V114 HydrophobicContact CZ-CG2 4.06Å; F110-V114 WeakPolarHBondContact O-CG2 3.31Å; F110-V114 PolarHBondContact O-N 2.72Å; F110-V131 HydrophobicContact CE2-CG1 3.81Å; F110-V131 HydrophobicContact CE2-CG2 4.14Å; F110-V131 HydrophobicContact CZ-CG1 4.33Å; F110-V131 HydrophobicContact CZ-CG2 4.13Å; F110-F143 HydrophobicContact CB-CD1 3.52Å; F110-F143 HydrophobicContact CB-CE1 3.99Å; F110-F143 HydrophobicContact CD1-CB 4.2Å; F110-F143 HydrophobicContact CD1-CD1 4.28Å; F110-F143 HydrophobicContact CD2-CB 3.82Å; F110-F143 AromaticContact CD2-CD1 3.85Å; F110-F143 HydrophobicContact CD2-CD1 3.85Å; F110-F143 HydrophobicContact CD2-CG 4.13Å; F110-F143 HydrophobicContact CE1-CB 4.21Å; F110-F143 WeakPolarHBondContact CE1-O 3.42Å; F110-F143 HydrophobicContact CE2-CB 3.83Å; F110-F143 HydrophobicContact CG-CB 4.04Å; F110-F143 AromaticContact CG-CD1 3.63Å; F110-F143 HydrophobicContact CG-CD1 3.63Å; F110-F143 HydrophobicContact CG-CG 4.26Å; F110-F143 HydrophobicContact CZ-CB 4.04Å; F110-V144 HydrophobicContact CZ-CG2 4.16Å; F110-Y147 HydrophobicContact CE1-CG 4.41Å
111F98.7Very high96.6Very high3 Ų349.8 Ų49.81%0.01326%0.261CS..Hα-helixtrans-58.9-46.5177.8-68.6-3.2000111.8V107 N108 A113 V114 E115 R146 Y147 E150 K151V107-F111 HydrophobicContact CG1-CD1 4.28Å; V107-F111 HydrophobicContact CG1-CD2 4.31Å; V107-F111 HydrophobicContact CG1-CE1 3.74Å; V107-F111 HydrophobicContact CG1-CE2 3.81Å; V107-F111 HydrophobicContact CG1-CZ 3.52Å; V107-F111 WeakPolarHBondContact O-CD1 3.36Å; V107-F111 WeakPolarHBondContact O-CG 3.39Å; V107-F111 PolarHBondContact O-N 3.43Å; N108-F111 PolarHBondContact O-N 2.81Å; F111-A113 VanDerWaalsContact C-N 3.32Å; F111-A113 PolarHBondContact O-N 3.32Å; F111-V114 PolarHBondContact O-N 3.26Å; F111-E115 WeakPolarHBondContact O-CG 3.26Å; F111-E115 PolarHBondContact O-N 2.95Å; F111-R146 HydrophobicContact CE1-CG 4.45Å; F111-R146 HydrophobicContact CZ-CG 4.04Å; F111-Y147 AromaticContact CD1-CD2 3.58Å; F111-Y147 HydrophobicContact CD1-CD2 3.58Å; F111-Y147 HydrophobicContact CD1-CG 4.27Å; F111-Y147 HydrophobicContact CE1-CD2 4.03Å; F111-Y147 HydrophobicContact CE1-CG 4.32Å; F111-Y147 HydrophobicContact CG-CD2 4.23Å; F111-E150 HydrophobicContact CE2-CB 4.22Å; F111-E150 WeakPolarHBondContact CE2-OE2 3.37Å; F111-E150 HydrophobicContact CZ-CB 4.03Å; F111-E150 HydrophobicContact CZ-CG 4.48Å; F111-K151 HydrophobicContact CD2-CD 4.37Å; F111-K151 HydrophobicContact CD2-CG 4.34Å; F111-K151 HydrophobicContact CE2-CG 4.41Å; F111-K151 HydrophobicContact CG-CG 4.37Å
112N98.8Very high96.4Very high111 Ų11157.4 Ų57.459%0.59429%0.287SS*.Hα-helixtrans-61.9-39.9179.5-70.3-16.5000112.1N108 A109 F110 A116N108-N112 WeakPolarHBondContact O-CB 3.37Å; N108-N112 PolarHBondContact O-N 3.4Å; N108-N112 PolarHBondContact O-ND2 2.68Å; A109-N112 PolarHBondContact O-N 3.36Å; F110-N112 PolarHBondContact O-N 3.48Å; N112-A116 VanDerWaalsContact O-CB 3.31Å; N112-A116 WeakPolarHBondContact O-CB 3.41Å; N112-A116 PolarHBondContact O-N 3.03Å
113A98.8Very high96.1Very high11 Ų1166.5 Ų66.59%0.09133%0.326CS..Hα-helixtrans-63.1-46.4175.600000111.8M68 I70 V92 A109 F110 F111 A116 F117M68-A113 WeakPolarHBondContact CE-O 3.23Å; M68-A113 HydrophobicContact SD-CB 4.1Å; I70-A113 HydrophobicContact CD1-CB 4.21Å; V92-A113 HydrophobicContact CG1-CB 3.96Å; V92-A113 HydrophobicContact CG2-CB 4.32Å; A109-A113 WeakPolarHBondContact O-CB 3.39Å; A109-A113 PolarHBondContact O-N 3.19Å; F110-A113 PolarHBondContact O-N 3.43Å; F111-A113 VanDerWaalsContact C-N 3.32Å; F111-A113 PolarHBondContact O-N 3.32Å; A113-A116 PolarHBondContact O-N 3.42Å; A113-F117 PolarHBondContact O-N 3.2Å
114V98.6Very high95.8Very high0 Ų063.3 Ų63.30%031%0.313CS..Hα-helixtrans-65.8-41.9178.4179.60000111.6F28 I70 F110 F111 A116 F117 N118 I129 Y147F28-V114 HydrophobicContact CE1-CG1 4.07Å; F28-V114 HydrophobicContact CE1-CG2 3.68Å; F28-V114 HydrophobicContact CZ-CG1 3.76Å; F28-V114 HydrophobicContact CZ-CG2 3.92Å; I70-V114 HydrophobicContact CD1-CG2 3.92Å; F110-V114 HydrophobicContact CD1-CG2 4.09Å; F110-V114 HydrophobicContact CE1-CG2 3.73Å; F110-V114 HydrophobicContact CZ-CG2 4.06Å; F110-V114 WeakPolarHBondContact O-CG2 3.31Å; F110-V114 PolarHBondContact O-N 2.72Å; F111-V114 PolarHBondContact O-N 3.26Å; V114-A116 PolarHBondContact O-N 3.02Å; V114-F117 WeakPolarHBondContact O-CB 3.02Å; V114-F117 PolarHBondContact O-N 2.73Å; V114-N118 WeakPolarHBondContact O-CB 3.3Å; V114-N118 VanDerWaalsContact O-CG 3.24Å; V114-N118 PolarHBondContact O-N 2.84Å; V114-N118 PolarHBondContact O-ND2 2.86Å; V114-I129 HydrophobicContact CB-CD1 4.29Å; V114-I129 HydrophobicContact CG1-CD1 3.96Å; V114-I129 HydrophobicContact CG2-CD1 4.03Å; V114-Y147 HydrophobicContact CB-CD2 4.08Å; V114-Y147 HydrophobicContact CB-CE2 3.7Å; V114-Y147 HydrophobicContact CG1-CD1 4.35Å; V114-Y147 HydrophobicContact CG1-CD2 4.1Å; V114-Y147 HydrophobicContact CG1-CE1 3.77Å; V114-Y147 HydrophobicContact CG1-CE2 3.48Å; V114-Y147 VanDerWaalsContact CG1-CE2 3.48Å; V114-Y147 HydrophobicContact CG2-CD2 4.4Å; V114-Y147 HydrophobicContact CG2-CE2 4.48Å
115E97.6Very high95.4Very high72 Ų7262.6 Ų62.634%0.33632%0.322SS..Hα-helixtrans-64.8-39.8175.9-70.3-52.4128.700111.8F111 F117 N118 R119 Y147F111-E115 WeakPolarHBondContact O-CG 3.26Å; F111-E115 PolarHBondContact O-N 2.95Å; E115-F117 PolarHBondContact O-N 3.18Å; E115-N118 PolarHBondContact O-N 2.85Å; E115-R119 WeakPolarHBondContact O-CG 3.34Å; E115-R119 PolarHBondContact O-N 3.22Å; E115-Y147 WeakPolarHBondContact OE1-CE2 3.34Å; E115-Y147 VanDerWaalsContact OE1-CZ 3.3Å; E115-Y147 PolarHBondContact OE1-OH 3.36Å
116A97.9Very high95.1Very high26 Ų2661.3 Ų61.322%0.21531%0.31CS..Hα-helixtrans-60.2-45.3173.100000111.8N112 A113 V114 N118 R119 T120N112-A116 VanDerWaalsContact O-CB 3.31Å; N112-A116 WeakPolarHBondContact O-CB 3.41Å; N112-A116 PolarHBondContact O-N 3.03Å; A113-A116 PolarHBondContact O-N 3.42Å; V114-A116 PolarHBondContact O-N 3.02Å; A116-N118 PolarHBondContact O-N 3.07Å; A116-R119 PolarHBondContact O-N 3.12Å; A116-T120 PolarHBondContact O-N 3.47Å; A116-T120 VanDerWaalsContact O-N 3.12Å; A116-T120 PolarHBondContact O-OG1 3.48Å; A116-T120 VanDerWaalsContact O-OG1 3.1Å
117F97.7Very high94.9Very high6 Ų660.8 Ų60.83%0.02631%0.305CS..Hα-helixtrans-57.1-48.5173.4177.1-84.9000111.9P27 M68 A113 V114 E115 R119 T120 Y121 M127 I128 I129P27-F117 HydrophobicContact CB-CD1 4.39Å; P27-F117 HydrophobicContact CB-CE1 3.82Å; M68-F117 HydrophobicContact CB-CD2 3.65Å; M68-F117 HydrophobicContact CB-CE2 4.18Å; M68-F117 HydrophobicContact CE-CB 3.94Å; M68-F117 HydrophobicContact SD-CB 4.22Å; A113-F117 PolarHBondContact O-N 3.2Å; V114-F117 WeakPolarHBondContact O-CB 3.02Å; V114-F117 PolarHBondContact O-N 2.73Å; E115-F117 PolarHBondContact O-N 3.18Å; F117-R119 VanDerWaalsContact C-N 3.28Å; F117-R119 PolarHBondContact O-N 2.91Å; F117-T120 PolarHBondContact O-N 3.03Å; F117-T120 VanDerWaalsContact O-N 3.15Å; F117-Y121 HydrophobicContact CD1-CD2 4.39Å; F117-Y121 AromaticContact CD2-CD2 3.44Å; F117-Y121 HydrophobicContact CD2-CD2 3.44Å; F117-Y121 VanDerWaalsContact CD2-CD2 3.44Å; F117-Y121 AromaticContact CD2-CE2 3.79Å; F117-Y121 HydrophobicContact CD2-CE2 3.79Å; F117-Y121 HydrophobicContact CE1-CD2 4.29Å; F117-Y121 AromaticContact CE2-CD2 3.34Å; F117-Y121 HydrophobicContact CE2-CD2 3.34Å; F117-Y121 AromaticContact CE2-CE2 3.76Å; F117-Y121 HydrophobicContact CE2-CE2 3.76Å; F117-Y121 HydrophobicContact CE2-CG 4.26Å; F117-Y121 AromaticContact CG-CD2 3.99Å; F117-Y121 HydrophobicContact CG-CD2 3.99Å; F117-Y121 AromaticContact CZ-CD2 3.78Å; F117-Y121 HydrophobicContact CZ-CD2 3.78Å; F117-Y121 HydrophobicContact CZ-CG 4.3Å; F117-Y121 PolarHBondContact O-N 3.21Å; F117-M127 HydrophobicContact CZ-CB 3.89Å; F117-I128 WeakPolarHBondContact CE2-O 3.38Å; F117-I129 HydrophobicContact CB-CD1 3.86Å; F117-I129 HydrophobicContact CB-CG1 4.3Å; F117-I129 HydrophobicContact CD1-CD1 3.6Å; F117-I129 HydrophobicContact CD1-CG1 3.64Å; F117-I129 HydrophobicContact CD2-CD1 4.14Å; F117-I129 HydrophobicContact CD2-CG1 3.61Å; F117-I129 HydrophobicContact CE1-CD1 4.17Å; F117-I129 HydrophobicContact CE1-CG1 3.78Å; F117-I129 HydrophobicContact CE2-CG1 3.72Å; F117-I129 HydrophobicContact CG-CD1 3.59Å; F117-I129 HydrophobicContact CG-CG1 3.57Å; F117-I129 HydrophobicContact CZ-CG1 3.81Å
118N95.1Very high94.8Very high28 Ų2860.8 Ų60.815%0.1531%0.305CS..Hα-helixtrans-63.3-32.7-178.5-72.3-24.7000112.7V114 E115 A116 R122 Y147V114-N118 WeakPolarHBondContact O-CB 3.3Å; V114-N118 VanDerWaalsContact O-CG 3.24Å; V114-N118 PolarHBondContact O-N 2.84Å; V114-N118 PolarHBondContact O-ND2 2.86Å; E115-N118 PolarHBondContact O-N 2.85Å; A116-N118 PolarHBondContact O-N 3.07Å; N118-R122 WeakPolarHBondContact O-CA 3.41Å; N118-R122 WeakPolarHBondContact O-CB 3.48Å; N118-R122 PolarHBondContact O-N 3.49Å; N118-Y147 PolarHBondContact ND2-OH 2.99Å
119R94.9Very high94.9Very high181 Ų18157.1 Ų57.168%0.68329%0.286SS*.Hα-helixtrans-68.2-45.5173-68.1-170.3-26.5-96.8-2.3111.5E115 A116 F117E115-R119 WeakPolarHBondContact O-CG 3.34Å; E115-R119 PolarHBondContact O-N 3.22Å; A116-R119 PolarHBondContact O-N 3.12Å; F117-R119 VanDerWaalsContact C-N 3.28Å; F117-R119 PolarHBondContact O-N 2.91Å
120T94Very high94.9Very high89 Ų8955.2 Ų55.255%0.54627%0.27SS..Hα-helixtrans-68.4-45-176.8-57.40000112.3A116 F117A116-T120 PolarHBondContact O-N 3.47Å; A116-T120 VanDerWaalsContact O-N 3.12Å; A116-T120 PolarHBondContact O-OG1 3.48Å; A116-T120 VanDerWaalsContact O-OG1 3.1Å; F117-T120 PolarHBondContact O-N 3.03Å; F117-T120 VanDerWaalsContact O-N 3.15Å
121Y91.9Very high94.9Very high52 Ų5255.2 Ų55.220%0.20427%0.27CS..THydrogen-bonded Turntrans-107.522.7-171.7-60.4-64.1000113.9F117 K123 N124 M127F117-Y121 HydrophobicContact CD1-CD2 4.39Å; F117-Y121 AromaticContact CD2-CD2 3.44Å; F117-Y121 HydrophobicContact CD2-CD2 3.44Å; F117-Y121 VanDerWaalsContact CD2-CD2 3.44Å; F117-Y121 AromaticContact CD2-CE2 3.79Å; F117-Y121 HydrophobicContact CD2-CE2 3.79Å; F117-Y121 HydrophobicContact CE1-CD2 4.29Å; F117-Y121 AromaticContact CE2-CD2 3.34Å; F117-Y121 HydrophobicContact CE2-CD2 3.34Å; F117-Y121 AromaticContact CE2-CE2 3.76Å; F117-Y121 HydrophobicContact CE2-CE2 3.76Å; F117-Y121 HydrophobicContact CE2-CG 4.26Å; F117-Y121 AromaticContact CG-CD2 3.99Å; F117-Y121 HydrophobicContact CG-CD2 3.99Å; F117-Y121 AromaticContact CZ-CD2 3.78Å; F117-Y121 HydrophobicContact CZ-CD2 3.78Å; F117-Y121 HydrophobicContact CZ-CG 4.3Å; F117-Y121 PolarHBondContact O-N 3.21Å; Y121-K123 PolarHBondContact O-N 3.23Å; Y121-N124 HydrophobicContact CD1-CB 4.48Å; Y121-N124 PolarHBondContact O-N 2.96Å; Y121-M127 HydrophobicContact CD1-CB 4.16Å; Y121-M127 HydrophobicContact CD1-CE 3.7Å; Y121-M127 HydrophobicContact CD1-CG 3.72Å; Y121-M127 HydrophobicContact CD1-SD 4.5Å; Y121-M127 HydrophobicContact CD2-CB 4.49Å; Y121-M127 HydrophobicContact CD2-CE 4.37Å; Y121-M127 HydrophobicContact CE1-CE 3.26Å; Y121-M127 HydrophobicContact CE1-CG 4.27Å; Y121-M127 HydrophobicContact CE1-SD 4.48Å; Y121-M127 HydrophobicContact CE2-CE 3.98Å; Y121-M127 HydrophobicContact CG-CB 3.93Å; Y121-M127 HydrophobicContact CG-CE 4.23Å; Y121-M127 HydrophobicContact CG-CG 4.03Å
122R86.9Confident94.9Very high195 Ų19555 Ų5574%0.73627%0.269SS*.THydrogen-bonded Turntrans-51.3-32.5-178-165.7-176.3179.398.1-2.8114N118N118-R122 WeakPolarHBondContact O-CA 3.41Å; N118-R122 WeakPolarHBondContact O-CB 3.48Å; N118-R122 PolarHBondContact O-N 3.49Å
123K86.9Confident94.8Very high202 Ų20250.1 Ų50.188%0.87824%0.243SC*.THydrogen-bonded Turntrans-98.95.5-178-63.2-177.9179.8178.80113.3Y121Y121-K123 PolarHBondContact O-N 3.23Å
124N87.8Confident94.7Very high54 Ų5451 Ų5129%0.28925%0.248SC..  trans-121.582.1-174.4-60.694.6000109.8Y121 D126 M127Y121-N124 HydrophobicContact CD1-CB 4.48Å; Y121-N124 PolarHBondContact O-N 2.96Å; N124-D126 PolarHBondContact O-N 3.45Å; N124-D126 VanDerWaalsContact O-N 3.16Å; N124-M127 HydrophobicContact CB-CB 4.11Å; N124-M127 HydrophobicContact CB-CG 3.52Å; N124-M127 WeakPolarHBondContact O-CB 3.43Å; N124-M127 PolarHBondContact O-N 3.34Å
125A87.8Confident94.5Very high75 Ų7552.9 Ų52.962%0.6226%0.256SS*.THydrogen-bonded Turntrans-64.4-18.1-177.500000113.8
126D90.3Very high94.5Very high45 Ų4549.4 Ų49.424%0.24124%0.24CC..THydrogen-bonded Turntrans-81.5-14.1175.665.7-53000113.1Y64 R65 N124Y64-D126 CarbonylContact C-O 3.44Å; Y64-D126 WeakPolarHBondContact CA-O 3.33Å; R65-D126 IonicContact CZ-OD2 2.92Å; R65-D126 PolarHBondContact N-O 3.04Å; R65-D126 IonicContact NE-OD2 2.74Å; R65-D126 PolarHBondContact NE-OD2 3.18Å; R65-D126 IonicContact NH2-OD1 3.03Å; R65-D126 IonicContact NH2-OD2 3.56Å; R65-D126 PolarHBondContact NH2-OD2 3.04Å; N124-D126 PolarHBondContact O-N 3.45Å; N124-D126 VanDerWaalsContact O-N 3.16Å
127M94.4Very high94.3Very high9 Ų948.2 Ų48.24%0.04423%0.23CC..EExtended strand (participates in β ladder)trans-80.1130176.4-65.8-66.6-7900110.3R65 F117 Y121 N124 F352R65-M127 HydrophobicContact CB-SD 3.58Å; R65-M127 VanDerWaalsContact CB-SD 3.58Å; R65-M127 CarbonylContact O-C 3.59Å; R65-M127 WeakPolarHBondContact O-CA 3.45Å; F117-M127 HydrophobicContact CZ-CB 3.89Å; Y121-M127 HydrophobicContact CD1-CB 4.16Å; Y121-M127 HydrophobicContact CD1-CE 3.7Å; Y121-M127 HydrophobicContact CD1-CG 3.72Å; Y121-M127 HydrophobicContact CD1-SD 4.5Å; Y121-M127 HydrophobicContact CD2-CB 4.49Å; Y121-M127 HydrophobicContact CD2-CE 4.37Å; Y121-M127 HydrophobicContact CE1-CE 3.26Å; Y121-M127 HydrophobicContact CE1-CG 4.27Å; Y121-M127 HydrophobicContact CE1-SD 4.48Å; Y121-M127 HydrophobicContact CE2-CE 3.98Å; Y121-M127 HydrophobicContact CG-CB 3.93Å; Y121-M127 HydrophobicContact CG-CE 4.23Å; Y121-M127 HydrophobicContact CG-CG 4.03Å; N124-M127 HydrophobicContact CB-CB 4.11Å; N124-M127 HydrophobicContact CB-CG 3.52Å; N124-M127 WeakPolarHBondContact O-CB 3.43Å; N124-M127 PolarHBondContact O-N 3.34Å; M127-F352 HydrophobicContact SD-CZ 4.43Å
128I97.7Very high94.2Very high0 Ų049 Ų490%023%0.234CC..EExtended strand (participates in β ladder)trans-126.2165-178.865.274.1000112.2K22 P27 V29 I59 Y64 R65 I66 G67 F117 C130K22-I128 HydrophobicContact CD-CG2 3.91Å; P27-I128 CarbonylContact O-C 3.57Å; P27-I128 WeakPolarHBondContact O-CA 3.21Å; P27-I128 WeakPolarHBondContact O-CB 3.15Å; V29-I128 HydrophobicContact CB-CD1 4.45Å; V29-I128 HydrophobicContact CG2-CB 4.37Å; V29-I128 HydrophobicContact CG2-CD1 4.11Å; V29-I128 HydrophobicContact CG2-CG1 4.17Å; I59-I128 HydrophobicContact CD1-CD1 3.95Å; I59-I128 HydrophobicContact CD1-CG1 4.45Å; I59-I128 HydrophobicContact CG1-CD1 4.39Å; I59-I128 HydrophobicContact CG2-CD1 3.96Å; I59-I128 HydrophobicContact CG2-CG1 3.86Å; Y64-I128 HydrophobicContact CD1-CG2 3.67Å; Y64-I128 HydrophobicContact CE1-CG2 4.38Å; Y64-I128 HydrophobicContact CG-CG2 3.86Å; R65-I128 WeakPolarHBondContact O-CG1 3.32Å; R65-I128 PolarHBondContact O-N 3.08Å; I66-I128 HydrophobicContact CB-CD1 4.32Å; I66-I128 HydrophobicContact CG1-CD1 3.98Å; I66-I128 HydrophobicContact CG2-CD1 4.32Å; G67-I128 PolarHBondContact N-O 3.43Å; F117-I128 WeakPolarHBondContact CE2-O 3.38Å; I128-C130 WeakPolarHBondContact CD1-SG 3.37Å
129I98.7Very high94.3Very high0 Ų048.3 Ų48.30%023%0.23CC..EExtended strand (participates in β ladder)trans-108.8116.6171.3-53.5176.1000108.1P27 F28 V29 M68 I70 V114 F117 V131P27-I129 HydrophobicContact CB-CD1 4.32Å; P27-I129 HydrophobicContact CB-CG1 4.21Å; P27-I129 HydrophobicContact CG-CD1 3.97Å; P27-I129 HydrophobicContact CG-CG1 4.38Å; P27-I129 PolarHBondContact O-N 3.16Å; F28-I129 WeakPolarHBondContact CA-O 3.5Å; F28-I129 HydrophobicContact CD1-CB 4.19Å; F28-I129 HydrophobicContact CD1-CD1 4.42Å; F28-I129 HydrophobicContact CD1-CG2 4.46Å; F28-I129 HydrophobicContact CE1-CD1 4.03Å; V29-I129 PolarHBondContact N-O 3.49Å; M68-I129 HydrophobicContact CB-CG1 4.45Å; M68-I129 HydrophobicContact CB-CG2 4.48Å; M68-I129 HydrophobicContact CG-CG2 4.48Å; M68-I129 VanDerWaalsContact O-CA 3.31Å; M68-I129 WeakPolarHBondContact O-CA 3.47Å; I70-I129 HydrophobicContact CD1-CG2 3.81Å; I70-I129 HydrophobicContact CG1-CG2 3.88Å; V114-I129 HydrophobicContact CB-CD1 4.29Å; V114-I129 HydrophobicContact CG1-CD1 3.96Å; V114-I129 HydrophobicContact CG2-CD1 4.03Å; F117-I129 HydrophobicContact CB-CD1 3.86Å; F117-I129 HydrophobicContact CB-CG1 4.3Å; F117-I129 HydrophobicContact CD1-CD1 3.6Å; F117-I129 HydrophobicContact CD1-CG1 3.64Å; F117-I129 HydrophobicContact CD2-CD1 4.14Å; F117-I129 HydrophobicContact CD2-CG1 3.61Å; F117-I129 HydrophobicContact CE1-CD1 4.17Å; F117-I129 HydrophobicContact CE1-CG1 3.78Å; F117-I129 HydrophobicContact CE2-CG1 3.72Å; F117-I129 HydrophobicContact CG-CD1 3.59Å; F117-I129 HydrophobicContact CG-CG1 3.57Å; F117-I129 HydrophobicContact CZ-CG1 3.81Å; I129-V131 HydrophobicContact CG2-CG2 3.84Å
130C98.9Very high94.4Very high0 Ų039.7 Ų39.70%020%0.197CC..EExtended strand (participates in β ladder)trans-84.3120.8167.2-63.40000109.2V29 L55 M68 V69 I70 I128V29-C130 WeakPolarHBondContact O-CA 3.29Å; L55-C130 HydrophobicContact CD1-CB 4.42Å; L55-C130 HydrophobicContact CD2-CB 4.23Å; M68-C130 PolarHBondContact O-N 3.45Å; V69-C130 CarbonylContact C-O 3.54Å; V69-C130 VanDerWaalsContact CA-O 3.24Å; V69-C130 WeakPolarHBondContact CA-O 3.33Å; V69-C130 HydrophobicContact CG1-CB 3.98Å; I70-C130 PolarHBondContact N-O 3.16Å; I128-C130 WeakPolarHBondContact CD1-SG 3.37Å
131V98.9Very high94.6Very high0 Ų035.4 Ų35.40%017%0.171CC..EExtended strand (participates in β ladder)trans-108.7123.1177.1-172.30000108.3F28 V29 P30 C31 I70 L72 F110 I129 T140 V144F28-V131 HydrophobicContact CD1-CG2 3.82Å; F28-V131 HydrophobicContact CE1-CG2 4.39Å; V29-V131 PolarHBondContact O-N 2.99Å; P30-V131 WeakPolarHBondContact CA-O 3.42Å; C31-V131 PolarHBondContact N-O 3.4Å; I70-V131 HydrophobicContact CB-CG1 4.41Å; I70-V131 HydrophobicContact CB-CG2 4.46Å; L72-V131 HydrophobicContact CD1-CG1 3.61Å; L72-V131 HydrophobicContact CG-CG1 4.24Å; F110-V131 HydrophobicContact CE2-CG1 3.81Å; F110-V131 HydrophobicContact CE2-CG2 4.14Å; F110-V131 HydrophobicContact CZ-CG1 4.33Å; F110-V131 HydrophobicContact CZ-CG2 4.13Å; I129-V131 HydrophobicContact CG2-CG2 3.84Å; V131-T140 HydrophobicContact CB-CG2 4.05Å; V131-T140 HydrophobicContact CG1-CG2 3.94Å; V131-T140 WeakPolarHBondContact O-CG2 3.42Å; V131-V144 HydrophobicContact CB-CG2 4.01Å; V131-V144 HydrophobicContact CG1-CG2 4.07Å; V131-V144 HydrophobicContact CG2-CG2 3.94Å
132F98.8Very high94.9Very high0 Ų033 Ų330%016%0.162CC..EExtended strand (participates in β ladder)trans-134154.8179.361.8-100.5000112.9C31 P34 V69 I70 D71 L72 V79 F84C31-F132 WeakPolarHBondContact O-CA 3.33Å; C31-F132 WeakPolarHBondContact O-CB 3.42Å; P34-F132 HydrophobicContact CG-CE1 4.44Å; V69-F132 HydrophobicContact CB-CE1 3.85Å; V69-F132 HydrophobicContact CG1-CE1 4.39Å; V69-F132 HydrophobicContact CG2-CE1 4.18Å; I70-F132 PolarHBondContact O-N 2.86Å; D71-F132 HydrophobicContact CB-CD2 4.32Å; D71-F132 HydrophobicContact CB-CE2 3.47Å; D71-F132 VanDerWaalsContact CB-CE2 3.47Å; D71-F132 HydrophobicContact CB-CZ 3.57Å; D71-F132 VanDerWaalsContact OD1-CE2 3.23Å; D71-F132 WeakPolarHBondContact OD1-CE2 3.13Å; L72-F132 WeakPolarHBondContact CA-O 3.19Å; L72-F132 VanDerWaalsContact CB-O 3.28Å; L72-F132 WeakPolarHBondContact CB-O 3.3Å; L72-F132 PolarHBondContact N-O 3.49Å; V79-F132 HydrophobicContact CG2-CE2 4.02Å; V79-F132 HydrophobicContact CG2-CZ 4.2Å; F84-F132 HydrophobicContact CE1-CE1 4.45Å; F84-F132 HydrophobicContact CE2-CE1 4.33Å; F84-F132 HydrophobicContact CE2-CZ 4.02Å; F84-F132 AromaticContact CZ-CE1 3.68Å; F84-F132 HydrophobicContact CZ-CE1 3.68Å; F84-F132 AromaticContact CZ-CZ 3.73Å; F84-F132 HydrophobicContact CZ-CZ 3.73Å
133S97.2Very high95.5Very high7 Ų723.7 Ų23.75%0.04913%0.127CC..EExtended strand (participates in β ladder)trans-134.3-166.2166.951.20000106.3K32 T33 H135 G136 T140K32-S133 CarbonylContact C-O 3.57Å; T33-S133 WeakPolarHBondContact CB-O 3.43Å; T33-S133 PolarHBondContact N-O 3.25Å; S133-H135 PolarHBondContact O-N 2.82Å; S133-G136 WeakPolarHBondContact OG-CA 3.05Å; S133-G136 PolarHBondContact OG-N 3.5Å; S133-T140 PolarHBondContact N-OG1 2.75Å; S133-T140 VanDerWaalsContact N-OG1 3.1Å; S133-T140 PolarHBondContact OG-OG1 2.69Å
134T96.2Very high96.1Very high31 Ų3114.1 Ų14.119%0.199%0.085CC..SBendtrans-54-50.9-179.9-54.40000112.5P10 W13 T33 Y78P10-T134 HydrophobicContact CB-CG2 3.35Å; P10-T134 HydrophobicContact CG-CG2 3.98Å; W13-T134 VanDerWaalsContact CD1-O 3.24Å; T33-T134 PolarHBondContact N-O 2.64Å; Y78-T134 HydrophobicContact CE2-CG2 4.16Å
135H95.5Very high96.6Very high38 Ų3811.5 Ų11.518%0.1767%0.071CC..SBendtrans-106.6-12.1180-49.199000113.4V11 Y16 K32 S133 V137 R167V11-H135 PolarHBondContact O-NE2 2.96Å; Y16-H135 HydrophobicContact CD1-CB 4.39Å; Y16-H135 HydrophobicContact CD2-CB 3.74Å; Y16-H135 AromaticContact CD2-CD2 3.5Å; Y16-H135 VanDerWaalsContact CD2-CD2 3.5Å; Y16-H135 WeakPolarHBondContact CD2-CD2 3.37Å; Y16-H135 AromaticContact CD2-CG 3.9Å; Y16-H135 HydrophobicContact CE1-CB 4.41Å; Y16-H135 HydrophobicContact CE2-CB 3.75Å; Y16-H135 AromaticContact CE2-CD2 3.34Å; Y16-H135 WeakPolarHBondContact CE2-CD2 3.41Å; Y16-H135 AromaticContact CE2-CG 3.64Å; Y16-H135 HydrophobicContact CG-CB 4.06Å; K32-H135 WeakPolarHBondContact CB-O 3.44Å; S133-H135 PolarHBondContact O-N 2.82Å; H135-V137 VanDerWaalsContact C-N 3.32Å; H135-V137 HydrophobicContact CB-CG2 4.4Å; H135-R167 PolarHBondContact O-NH2 3.36Å
136G96.9Very high97.1Very high0 Ų08.8 Ų8.80%05%0.045CC..SBendtrans75.819.4-178.700000114.4C31 S133 T140 R167C31-G136 WeakPolarHBondContact O-CA 3.21Å; S133-G136 WeakPolarHBondContact OG-CA 3.05Å; S133-G136 PolarHBondContact OG-N 3.5Å; G136-T140 WeakPolarHBondContact CA-OG1 3.39Å; G136-R167 VanDerWaalsContact O-CD 3.26Å; G136-R167 WeakPolarHBondContact O-CD 3.49Å; G136-R167 PolarHBondContact O-NE 3.27Å
137V94.5Very high97.5Very high0 Ų06.7 Ų6.70%03%0.033CC..SBendtrans-115.1-76.1-172.7-178.40000110.7Y16 H135 G141 Y169 A170 E172Y16-V137 HydrophobicContact CD1-CG2 3.67Å; Y16-V137 HydrophobicContact CE1-CG2 3.69Å; H135-V137 VanDerWaalsContact C-N 3.32Å; H135-V137 HydrophobicContact CB-CG2 4.4Å; V137-G141 VanDerWaalsContact O-CA 3.3Å; V137-G141 WeakPolarHBondContact O-CA 3.33Å; V137-G141 PolarHBondContact O-N 2.99Å; V137-Y169 HydrophobicContact CG2-CD2 4.18Å; V137-Y169 HydrophobicContact CG2-CG 4.2Å; V137-A170 WeakPolarHBondContact CG1-O 3.41Å; V137-E172 HydrophobicContact CG1-CG 4.17Å
138N94.8Very high97.6Very high22 Ų226.2 Ų6.212%0.1183%0.031CC..Hα-helixtrans-67-59-170.4-69.2-53.6000113.6Y142 E172 R173 L176N138-Y142 WeakPolarHBondContact O-CB 3.49Å; N138-Y142 PolarHBondContact O-N 3.28Å; N138-E172 PolarHBondContact ND2-OE2 3.24Å; N138-E172 PolarHBondContact OD1-N 2.94Å; N138-R173 HydrophobicContact CB-CG 4.22Å; N138-R173 PolarHBondContact OD1-N 2.95Å; N138-L176 HydrophobicContact CB-CD1 3.97Å
139R96.8Very high97.5Very high14 Ų146.2 Ų6.25%0.0533%0.031CC..Hα-helixtrans-69.6-48.9-179.4-62.9-58.5175.6-149.7-3.4111.8L72 A96 P97 G98 R100 G141 Y142 F143 L176 Y241L72-R139 HydrophobicContact CB-CB 4.38Å; L72-R139 HydrophobicContact CD1-CB 4.5Å; A96-R139 HydrophobicContact CB-CB 4.49Å; A96-R139 HydrophobicContact CB-CG 4.24Å; P97-R139 PolarHBondContact O-NE 2.88Å; P97-R139 PolarHBondContact O-NH2 2.89Å; G98-R139 VanDerWaalsContact CA-NH2 3.26Å; G98-R139 PolarHBondContact O-NH2 2.88Å; R100-R139 PolarHBondContact O-NH1 3.48Å; R100-R139 PolarHBondContact O-NH2 2.85Å; R139-G141 VanDerWaalsContact C-N 3.3Å; R139-G141 PolarHBondContact O-N 3.5Å; R139-Y142 PolarHBondContact O-N 2.89Å; R139-F143 VanDerWaalsContact O-CD2 3.31Å; R139-F143 WeakPolarHBondContact O-CD2 3.3Å; R139-F143 PolarHBondContact O-N 3.33Å; R139-L176 VanDerWaalsContact NH1-CD2 3.27Å; R139-Y241 PolarHBondContact NH2-OH 2.9Å
140T98.5Very high97.4Very high0 Ų08.7 Ų8.70%04%0.043CC..Hα-helixtrans-52.2-49.9175-59.40000111.7P30 V131 S133 G136 V144 F163P30-T140 HydrophobicContact CB-CG2 3.58Å; V131-T140 HydrophobicContact CB-CG2 4.05Å; V131-T140 HydrophobicContact CG1-CG2 3.94Å; V131-T140 WeakPolarHBondContact O-CG2 3.42Å; S133-T140 PolarHBondContact N-OG1 2.75Å; S133-T140 VanDerWaalsContact N-OG1 3.1Å; S133-T140 PolarHBondContact OG-OG1 2.69Å; G136-T140 WeakPolarHBondContact CA-OG1 3.39Å; T140-V144 WeakPolarHBondContact O-CB 3.5Å; T140-V144 VanDerWaalsContact O-CG2 3.26Å; T140-V144 WeakPolarHBondContact O-CG2 3.45Å; T140-V144 PolarHBondContact O-N 2.76Å; T140-V144 VanDerWaalsContact O-N 3.08Å; T140-F163 HydrophobicContact CG2-CE2 4.13Å; T140-F163 HydrophobicContact CG2-CZ 4.38Å
141G97.9Very high97.2Very high0 Ų013 Ų130%06%0.062CC..Hα-helixtrans-60.7-47.8177.400000112.6V137 R139 F143 C145 F163V137-G141 VanDerWaalsContact O-CA 3.3Å; V137-G141 WeakPolarHBondContact O-CA 3.33Å; V137-G141 PolarHBondContact O-N 2.99Å; R139-G141 VanDerWaalsContact C-N 3.3Å; R139-G141 PolarHBondContact O-N 3.5Å; G141-F143 PolarHBondContact O-N 3.27Å; G141-C145 WeakPolarHBondContact O-CB 3.36Å; G141-C145 PolarHBondContact O-N 2.87Å; G141-C145 PolarHBondContact O-SG 3.15Å; G141-F163 VanDerWaalsContact CA-CE1 3.5Å
142Y98.2Very high96.9Very high1 Ų113.2 Ų13.20%0.0046%0.063CC..Hα-helixtrans-56.9-52.8179.7-176.3-92.9000112.9L101 P102 V107 N138 R139 C145 R146 L176 N179 L180L101-Y142 HydrophobicContact CD2-CE2 4.42Å; P102-Y142 HydrophobicContact CB-CD1 4.09Å; P102-Y142 HydrophobicContact CB-CE1 3.86Å; P102-Y142 VanDerWaalsContact CD-CE1 3.48Å; P102-Y142 HydrophobicContact CG-CD1 3.41Å; P102-Y142 VanDerWaalsContact CG-CD1 3.41Å; P102-Y142 HydrophobicContact CG-CE1 3.55Å; P102-Y142 HydrophobicContact CG-CG 4.14Å; V107-Y142 HydrophobicContact CG2-CE1 4.16Å; N138-Y142 WeakPolarHBondContact O-CB 3.49Å; N138-Y142 PolarHBondContact O-N 3.28Å; R139-Y142 PolarHBondContact O-N 2.89Å; Y142-C145 PolarHBondContact O-N 3.01Å; Y142-R146 WeakPolarHBondContact O-CB 3.31Å; Y142-R146 PolarHBondContact O-N 3.16Å; Y142-R146 PolarHBondContact OH-NH1 2.76Å; Y142-L176 HydrophobicContact CD2-CB 3.86Å; Y142-L176 HydrophobicContact CD2-CD2 3.61Å; Y142-L176 HydrophobicContact CD2-CG 4.25Å; Y142-L176 HydrophobicContact CE2-CD2 4.04Å; Y142-L176 HydrophobicContact CG-CD2 3.99Å; Y142-N179 HydrophobicContact CE2-CB 4.4Å; Y142-N179 VanDerWaalsContact CE2-OD1 3.27Å; Y142-N179 WeakPolarHBondContact CE2-OD1 3.14Å; Y142-N179 PolarHBondContact OH-OD1 2.71Å; Y142-L180 HydrophobicContact CD2-CD1 4.11Å; Y142-L180 HydrophobicContact CD2-CD2 4.01Å; Y142-L180 HydrophobicContact CD2-CG 3.88Å; Y142-L180 HydrophobicContact CE2-CD2 4.06Å; Y142-L180 HydrophobicContact CE2-CG 4.06Å
143F98.9Very high96.6Very high0 Ų013.7 Ų13.70%07%0.066CC..Hα-helixtrans-66.5-44.3-176.6-82-90.1000112.7L72 A96 P102 S106 V107 F110 R139 G141 R146 Y147L72-F143 HydrophobicContact CD1-CB 3.96Å; L72-F143 HydrophobicContact CD1-CD2 3.75Å; L72-F143 HydrophobicContact CD1-CE2 4.49Å; L72-F143 HydrophobicContact CD1-CG 4.01Å; L72-F143 HydrophobicContact CD2-CD1 4.45Å; L72-F143 HydrophobicContact CD2-CD2 4.07Å; L72-F143 HydrophobicContact CD2-CE2 4.19Å; L72-F143 HydrophobicContact CD2-CG 4.19Å; L72-F143 HydrophobicContact CD2-CZ 4.41Å; L72-F143 HydrophobicContact CG-CD2 4.5Å; A96-F143 HydrophobicContact CB-CE2 3.75Å; A96-F143 HydrophobicContact CB-CZ 4.19Å; P102-F143 HydrophobicContact CB-CE1 4.43Å; P102-F143 HydrophobicContact CB-CE2 3.64Å; P102-F143 HydrophobicContact CB-CZ 3.54Å; P102-F143 HydrophobicContact CG-CD2 4.4Å; P102-F143 HydrophobicContact CG-CE2 3.67Å; P102-F143 HydrophobicContact CG-CZ 4.12Å; S106-F143 WeakPolarHBondContact O-CE1 3.28Å; V107-F143 HydrophobicContact CG2-CD1 4.46Å; V107-F143 HydrophobicContact CG2-CE1 4.03Å; F110-F143 HydrophobicContact CB-CD1 3.52Å; F110-F143 HydrophobicContact CB-CE1 3.99Å; F110-F143 HydrophobicContact CD1-CB 4.2Å; F110-F143 HydrophobicContact CD1-CD1 4.28Å; F110-F143 HydrophobicContact CD2-CB 3.82Å; F110-F143 AromaticContact CD2-CD1 3.85Å; F110-F143 HydrophobicContact CD2-CD1 3.85Å; F110-F143 HydrophobicContact CD2-CG 4.13Å; F110-F143 HydrophobicContact CE1-CB 4.21Å; F110-F143 WeakPolarHBondContact CE1-O 3.42Å; F110-F143 HydrophobicContact CE2-CB 3.83Å; F110-F143 HydrophobicContact CG-CB 4.04Å; F110-F143 AromaticContact CG-CD1 3.63Å; F110-F143 HydrophobicContact CG-CD1 3.63Å; F110-F143 HydrophobicContact CG-CG 4.26Å; F110-F143 HydrophobicContact CZ-CB 4.04Å; R139-F143 VanDerWaalsContact O-CD2 3.31Å; R139-F143 WeakPolarHBondContact O-CD2 3.3Å; R139-F143 PolarHBondContact O-N 3.33Å; G141-F143 PolarHBondContact O-N 3.27Å; F143-R146 PolarHBondContact O-N 2.9Å; F143-Y147 PolarHBondContact O-N 3.03Å; F143-Y147 VanDerWaalsContact O-N 3.07Å
144V98.8Very high96.3Very high0 Ų013.3 Ų13.30%06%0.063CC..Hα-helixtrans-62.4-49.2177.1170.50000110.4I23 F28 F110 V131 T140 R146 Y147 L148 F163I23-V144 HydrophobicContact CD1-CG1 3.44Å; I23-V144 VanDerWaalsContact CD1-CG1 3.44Å; F28-V144 HydrophobicContact CB-CG1 4.2Å; F28-V144 HydrophobicContact CD1-CG2 4.3Å; F28-V144 HydrophobicContact CD2-CG1 3.88Å; F28-V144 HydrophobicContact CE2-CG1 4.43Å; F28-V144 HydrophobicContact CG-CG1 4.03Å; F28-V144 HydrophobicContact CG-CG2 4.31Å; F110-V144 HydrophobicContact CZ-CG2 4.16Å; V131-V144 HydrophobicContact CB-CG2 4.01Å; V131-V144 HydrophobicContact CG1-CG2 4.07Å; V131-V144 HydrophobicContact CG2-CG2 3.94Å; T140-V144 WeakPolarHBondContact O-CB 3.5Å; T140-V144 VanDerWaalsContact O-CG2 3.26Å; T140-V144 WeakPolarHBondContact O-CG2 3.45Å; T140-V144 PolarHBondContact O-N 2.76Å; T140-V144 VanDerWaalsContact O-N 3.08Å; V144-R146 VanDerWaalsContact C-N 3.34Å; V144-R146 PolarHBondContact O-N 3.01Å; V144-Y147 PolarHBondContact O-N 2.99Å; V144-L148 HydrophobicContact CG1-CD1 3.98Å; V144-L148 WeakPolarHBondContact O-CG 3.32Å; V144-L148 PolarHBondContact O-N 2.85Å; V144-F163 HydrophobicContact CB-CD2 4.46Å; V144-F163 HydrophobicContact CG1-CD2 4.32Å
145C98.4Very high96Very high0 Ų013.1 Ų13.10%07%0.067CC..Hα-helixtrans-62.4-44-179.7-66.50000111.4G141 Y142 Y147 L148 I149 V159 L180G141-C145 WeakPolarHBondContact O-CB 3.36Å; G141-C145 PolarHBondContact O-N 2.87Å; G141-C145 PolarHBondContact O-SG 3.15Å; Y142-C145 PolarHBondContact O-N 3.01Å; C145-Y147 VanDerWaalsContact C-N 3.3Å; C145-Y147 PolarHBondContact O-N 3.39Å; C145-L148 PolarHBondContact O-N 2.93Å; C145-L148 VanDerWaalsContact O-N 3.15Å; C145-I149 VanDerWaalsContact O-CG1 3.28Å; C145-I149 WeakPolarHBondContact O-CG1 3.26Å; C145-I149 PolarHBondContact O-N 2.8Å; C145-V159 HydrophobicContact CB-CG1 3.47Å; C145-V159 VanDerWaalsContact CB-CG1 3.47Å; C145-L180 HydrophobicContact CB-CD1 3.71Å; C145-L180 HydrophobicContact CB-CD2 3.93Å; C145-L180 HydrophobicContact CB-CG 4.44Å
146R98.3Very high95.7Very high17 Ų1712.1 Ų12.16%0.0646%0.064CC..Hα-helixtrans-60-39.8179.3-169.3153-174.4-162.1-14.4112.1E104 V107 F111 Y142 F143 V144 E150 L180 I183E104-R146 IonicContact OE1-CZ 3.48Å; E104-R146 IonicContact OE1-NH1 3Å; E104-R146 PolarHBondContact OE1-NH1 2.64Å; E104-R146 IonicContact OE1-NH2 2.78Å; E104-R146 PolarHBondContact OE1-NH2 3.23Å; E104-R146 IonicContact OE2-CZ 3.61Å; E104-R146 IonicContact OE2-NH1 2.71Å; E104-R146 IonicContact OE2-NH2 2.78Å; E104-R146 PolarHBondContact OE2-NH2 2.82Å; V107-R146 HydrophobicContact CG1-CG 4.07Å; F111-R146 HydrophobicContact CE1-CG 4.45Å; F111-R146 HydrophobicContact CZ-CG 4.04Å; Y142-R146 WeakPolarHBondContact O-CB 3.31Å; Y142-R146 PolarHBondContact O-N 3.16Å; Y142-R146 PolarHBondContact OH-NH1 2.76Å; F143-R146 PolarHBondContact O-N 2.9Å; V144-R146 VanDerWaalsContact C-N 3.34Å; V144-R146 PolarHBondContact O-N 3.01Å; R146-E150 WeakPolarHBondContact CG-OE1 3.02Å; R146-E150 IonicContact CZ-OE1 3.57Å; R146-E150 IonicContact NE-OE1 3.59Å; R146-E150 PolarHBondContact NE-OE1 3.19Å; R146-E150 IonicContact NH2-OE1 3.27Å; R146-E150 PolarHBondContact NH2-OE1 3.48Å; R146-E150 WeakPolarHBondContact O-CB 3.45Å; R146-E150 PolarHBondContact O-N 3.12Å; R146-L180 HydrophobicContact CB-CD2 3.88Å; R146-I183 HydrophobicContact CG-CD1 4.19Å
147Y98.5Very high95.4Very high1 Ų117.5 Ų17.50%0.0049%0.087CC..Hα-helixtrans-65.3-45.9173.3178.9-86000112.5F28 F110 F111 V114 E115 N118 F143 V144 C145 I149 E150 K151 L152F28-Y147 AromaticContact CE2-CD1 3.6Å; F28-Y147 HydrophobicContact CE2-CD1 3.6Å; F28-Y147 HydrophobicContact CE2-CE1 4.03Å; F28-Y147 HydrophobicContact CE2-CG 4.45Å; F28-Y147 AromaticContact CZ-CD1 3.51Å; F28-Y147 HydrophobicContact CZ-CD1 3.51Å; F28-Y147 AromaticContact CZ-CE1 3.89Å; F28-Y147 HydrophobicContact CZ-CE1 3.89Å; F28-Y147 HydrophobicContact CZ-CG 4.03Å; F110-Y147 HydrophobicContact CE1-CG 4.41Å; F111-Y147 AromaticContact CD1-CD2 3.58Å; F111-Y147 HydrophobicContact CD1-CD2 3.58Å; F111-Y147 HydrophobicContact CD1-CG 4.27Å; F111-Y147 HydrophobicContact CE1-CD2 4.03Å; F111-Y147 HydrophobicContact CE1-CG 4.32Å; F111-Y147 HydrophobicContact CG-CD2 4.23Å; V114-Y147 HydrophobicContact CB-CD2 4.08Å; V114-Y147 HydrophobicContact CB-CE2 3.7Å; V114-Y147 HydrophobicContact CG1-CD1 4.35Å; V114-Y147 HydrophobicContact CG1-CD2 4.1Å; V114-Y147 HydrophobicContact CG1-CE1 3.77Å; V114-Y147 HydrophobicContact CG1-CE2 3.48Å; V114-Y147 VanDerWaalsContact CG1-CE2 3.48Å; V114-Y147 HydrophobicContact CG2-CD2 4.4Å; V114-Y147 HydrophobicContact CG2-CE2 4.48Å; E115-Y147 WeakPolarHBondContact OE1-CE2 3.34Å; E115-Y147 VanDerWaalsContact OE1-CZ 3.3Å; E115-Y147 PolarHBondContact OE1-OH 3.36Å; N118-Y147 PolarHBondContact ND2-OH 2.99Å; F143-Y147 PolarHBondContact O-N 3.03Å; F143-Y147 VanDerWaalsContact O-N 3.07Å; V144-Y147 PolarHBondContact O-N 2.99Å; C145-Y147 VanDerWaalsContact C-N 3.3Å; C145-Y147 PolarHBondContact O-N 3.39Å; Y147-I149 VanDerWaalsContact C-N 3.27Å; Y147-I149 PolarHBondContact O-N 3.21Å; Y147-E150 PolarHBondContact O-N 2.95Å; Y147-K151 HydrophobicContact CD1-CB 4.4Å; Y147-K151 HydrophobicContact CD2-CB 3.95Å; Y147-K151 HydrophobicContact CD2-CG 3.62Å; Y147-K151 HydrophobicContact CE1-CB 4.17Å; Y147-K151 HydrophobicContact CE2-CB 3.69Å; Y147-K151 HydrophobicContact CE2-CG 3.57Å; Y147-K151 HydrophobicContact CG-CB 4.29Å; Y147-K151 HydrophobicContact CG-CG 4.3Å; Y147-K151 WeakPolarHBondContact O-CA 3.42Å; Y147-K151 WeakPolarHBondContact O-CB 3.19Å; Y147-K151 PolarHBondContact O-N 2.74Å; Y147-L152 HydrophobicContact CD1-CG 4.49Å; Y147-L152 HydrophobicContact CE1-CD1 4.27Å; Y147-L152 HydrophobicContact CE1-CD2 4.16Å; Y147-L152 HydrophobicContact CE1-CG 3.97Å; Y147-L152 PolarHBondContact O-N 3.33Å
148L97Very high95.2Very high0 Ų018.2 Ų18.20%09%0.091CC..Hα-helixtrans-63.2-34.7-179.5-65.1173.6000112I23 F28 V144 C145 L152 S153 W154 V159I23-L148 HydrophobicContact CD1-CD1 4.36Å; I23-L148 HydrophobicContact CG2-CD1 4.15Å; F28-L148 HydrophobicContact CD2-CD2 4.13Å; F28-L148 HydrophobicContact CD2-CG 4.49Å; F28-L148 HydrophobicContact CE2-CD2 3.84Å; F28-L148 HydrophobicContact CE2-CG 4.25Å; V144-L148 HydrophobicContact CG1-CD1 3.98Å; V144-L148 WeakPolarHBondContact O-CG 3.32Å; V144-L148 PolarHBondContact O-N 2.85Å; C145-L148 PolarHBondContact O-N 2.93Å; C145-L148 VanDerWaalsContact O-N 3.15Å; L148-L152 HydrophobicContact CD2-CD1 3.56Å; L148-L152 HydrophobicContact CD2-CG 4.33Å; L148-L152 CarbonylContact O-C 3.5Å; L148-L152 WeakPolarHBondContact O-CB 3.5Å; L148-L152 PolarHBondContact O-N 2.66Å; L148-S153 PolarHBondContact O-N 2.9Å; L148-W154 HydrophobicContact CB-CD2 4.42Å; L148-W154 HydrophobicContact CB-CE3 4.29Å; L148-W154 HydrophobicContact CD1-CE3 4.27Å; L148-W154 HydrophobicContact CD1-CZ3 4.03Å; L148-W154 HydrophobicContact CD2-CE3 4.44Å; L148-W154 HydrophobicContact CD2-CH2 4.08Å; L148-W154 HydrophobicContact CD2-CZ2 4.26Å; L148-W154 HydrophobicContact CD2-CZ3 4.21Å; L148-W154 PolarHBondContact O-N 3.45Å; L148-W154 VanDerWaalsContact O-N 3.1Å; L148-V159 HydrophobicContact CB-CG1 3.85Å; L148-V159 HydrophobicContact CB-CG2 3.86Å; L148-V159 HydrophobicContact CD1-CG1 3.98Å
149I95.6Very high95.1Very high0 Ų017.1 Ų17.10%09%0.086CC..Hα-helixtrans-71.8-55.8175.1-62.6164000110.7C145 Y147 S153 P156 V159 L180 I183 P185 P186C145-I149 VanDerWaalsContact O-CG1 3.28Å; C145-I149 WeakPolarHBondContact O-CG1 3.26Å; C145-I149 PolarHBondContact O-N 2.8Å; Y147-I149 VanDerWaalsContact C-N 3.27Å; Y147-I149 PolarHBondContact O-N 3.21Å; I149-S153 WeakPolarHBondContact O-CA 3.45Å; I149-S153 PolarHBondContact O-N 2.81Å; I149-S153 VanDerWaalsContact O-N 3.16Å; I149-P156 HydrophobicContact CD1-CB 3.88Å; I149-P156 HydrophobicContact CD1-CG 4.06Å; I149-P156 HydrophobicContact CG1-CB 4.42Å; I149-P156 HydrophobicContact CG1-CG 4.3Å; I149-P156 HydrophobicContact CG2-CG 4.25Å; I149-V159 HydrophobicContact CG1-CB 4.19Å; I149-V159 HydrophobicContact CG1-CG1 4.27Å; I149-V159 HydrophobicContact CG1-CG2 3.93Å; I149-L180 HydrophobicContact CD1-CB 4.24Å; I149-L180 HydrophobicContact CD1-CD2 4.09Å; I149-I183 HydrophobicContact CG2-CB 4.06Å; I149-I183 HydrophobicContact CG2-CG2 3.52Å; I149-P185 HydrophobicContact CG2-CG 4.35Å; I149-P186 WeakPolarHBondContact O-CD 3.5Å
150E95.9Very high94.8Very high51 Ų5116.6 Ų16.624%0.2388%0.084CC..Hα-helixtrans-82.6-27.6-169-68.1-173.7-150.900114.4F111 R146 Y147 I183 P186F111-E150 HydrophobicContact CE2-CB 4.22Å; F111-E150 WeakPolarHBondContact CE2-OE2 3.37Å; F111-E150 HydrophobicContact CZ-CB 4.03Å; F111-E150 HydrophobicContact CZ-CG 4.48Å; R146-E150 WeakPolarHBondContact CG-OE1 3.02Å; R146-E150 IonicContact CZ-OE1 3.57Å; R146-E150 IonicContact NE-OE1 3.59Å; R146-E150 PolarHBondContact NE-OE1 3.19Å; R146-E150 IonicContact NH2-OE1 3.27Å; R146-E150 PolarHBondContact NH2-OE1 3.48Å; R146-E150 WeakPolarHBondContact O-CB 3.45Å; R146-E150 PolarHBondContact O-N 3.12Å; Y147-E150 PolarHBondContact O-N 2.95Å; E150-I183 HydrophobicContact CG-CG2 3.94Å; E150-P186 WeakPolarHBondContact O-CG 3.38Å
151K94.5Very high94.4Very high91 Ų9119.9 Ų19.940%0.39610%0.096SC..THydrogen-bonded Turntrans-104.2-32.3-178-60-58.9-177.7-174.40113.2F111 Y147F111-K151 HydrophobicContact CD2-CD 4.37Å; F111-K151 HydrophobicContact CD2-CG 4.34Å; F111-K151 HydrophobicContact CE2-CG 4.41Å; F111-K151 HydrophobicContact CG-CG 4.37Å; Y147-K151 HydrophobicContact CD1-CB 4.4Å; Y147-K151 HydrophobicContact CD2-CB 3.95Å; Y147-K151 HydrophobicContact CD2-CG 3.62Å; Y147-K151 HydrophobicContact CE1-CB 4.17Å; Y147-K151 HydrophobicContact CE2-CB 3.69Å; Y147-K151 HydrophobicContact CE2-CG 3.57Å; Y147-K151 HydrophobicContact CG-CB 4.29Å; Y147-K151 HydrophobicContact CG-CG 4.3Å; Y147-K151 WeakPolarHBondContact O-CA 3.42Å; Y147-K151 WeakPolarHBondContact O-CB 3.19Å; Y147-K151 PolarHBondContact O-N 2.74Å
152L93.3Very high94.1Very high5 Ų520.1 Ų20.13%0.02610%0.097CC..THydrogen-bonded Turntrans-103.3-5.8179.2-52.1-168.8000113.8Y147 L148 W154 W191 N194 F198Y147-L152 HydrophobicContact CD1-CG 4.49Å; Y147-L152 HydrophobicContact CE1-CD1 4.27Å; Y147-L152 HydrophobicContact CE1-CD2 4.16Å; Y147-L152 HydrophobicContact CE1-CG 3.97Å; Y147-L152 PolarHBondContact O-N 3.33Å; L148-L152 HydrophobicContact CD2-CD1 3.56Å; L148-L152 HydrophobicContact CD2-CG 4.33Å; L148-L152 CarbonylContact O-C 3.5Å; L148-L152 WeakPolarHBondContact O-CB 3.5Å; L148-L152 PolarHBondContact O-N 2.66Å; L152-W154 VanDerWaalsContact C-N 3.3Å; L152-W154 HydrophobicContact CB-CG 4.38Å; L152-W154 HydrophobicContact CD1-CZ2 4.12Å; L152-W154 VanDerWaalsContact O-CD1 3.27Å; L152-W154 PolarHBondContact O-N 2.62Å; L152-W191 WeakPolarHBondContact O-CA 3.27Å; L152-N194 WeakPolarHBondContact CA-ND2 3.21Å; L152-N194 HydrophobicContact CB-CB 4.16Å; L152-N194 HydrophobicContact CD2-CB 4.16Å; L152-N194 PolarHBondContact O-ND2 2.81Å; L152-F198 HydrophobicContact CD1-CE2 3.77Å; L152-F198 HydrophobicContact CD1-CZ 4.38Å; L152-F198 HydrophobicContact CD2-CE2 4.27Å
153S92.3Very high93.9Very high9 Ų920.1 Ų20.16%0.06310%0.097CC..  trans60.334.6179.4-59.60000114.1L148 I149 P186 V189 W191L148-S153 PolarHBondContact O-N 2.9Å; I149-S153 WeakPolarHBondContact O-CA 3.45Å; I149-S153 PolarHBondContact O-N 2.81Å; I149-S153 VanDerWaalsContact O-N 3.16Å; S153-P186 WeakPolarHBondContact OG-CD 3.32Å; S153-V189 WeakPolarHBondContact OG-CB 3.46Å; S153-V189 WeakPolarHBondContact OG-CG1 3.44Å; S153-W191 WeakPolarHBondContact O-CB 3.28Å
154W91.4Very high93.6Very high0 Ų022.4 Ų22.40%011%0.108CC..  trans-80.3146.9174.4-65.115.7000110.5I23 P24 L148 L152 V159 F162 M195 M209I23-W154 HydrophobicContact CG2-CH2 4.39Å; I23-W154 HydrophobicContact CG2-CZ3 4.22Å; P24-W154 VanDerWaalsContact O-CH2 3.26Å; P24-W154 WeakPolarHBondContact O-CH2 3.32Å; L148-W154 HydrophobicContact CB-CD2 4.42Å; L148-W154 HydrophobicContact CB-CE3 4.29Å; L148-W154 HydrophobicContact CD1-CE3 4.27Å; L148-W154 HydrophobicContact CD1-CZ3 4.03Å; L148-W154 HydrophobicContact CD2-CE3 4.44Å; L148-W154 HydrophobicContact CD2-CH2 4.08Å; L148-W154 HydrophobicContact CD2-CZ2 4.26Å; L148-W154 HydrophobicContact CD2-CZ3 4.21Å; L148-W154 PolarHBondContact O-N 3.45Å; L148-W154 VanDerWaalsContact O-N 3.1Å; L152-W154 VanDerWaalsContact C-N 3.3Å; L152-W154 HydrophobicContact CB-CG 4.38Å; L152-W154 HydrophobicContact CD1-CZ2 4.12Å; L152-W154 VanDerWaalsContact O-CD1 3.27Å; L152-W154 PolarHBondContact O-N 2.62Å; W154-V159 HydrophobicContact CB-CG2 3.28Å; W154-V159 HydrophobicContact CD2-CG2 4.37Å; W154-V159 HydrophobicContact CE3-CG2 3.92Å; W154-V159 HydrophobicContact CG-CG2 4.21Å; W154-F162 HydrophobicContact CE3-CD2 4.27Å; W154-F162 HydrophobicContact CZ3-CD2 4.11Å; W154-M195 HydrophobicContact CH2-CE 4.02Å; W154-M195 HydrophobicContact CZ2-CE 3.81Å; W154-M195 HydrophobicContact CZ2-CG 3.61Å; W154-M195 HydrophobicContact CZ2-SD 4.2Å; W154-M209 HydrophobicContact CB-CE 3.97Å; W154-M209 HydrophobicContact CD2-CE 3.91Å; W154-M209 HydrophobicContact CD2-SD 4.28Å; W154-M209 HydrophobicContact CE3-CE 4.5Å; W154-M209 HydrophobicContact CE3-SD 4.28Å; W154-M209 HydrophobicContact CG-CE 3.6Å; W154-M209 HydrophobicContact CG-SD 4.4Å
155G89Confident93.2Very high26 Ų2626.6 Ų26.627%0.26813%0.131SC..  trans-64.3133.6176.700000111.7K157 N158 V159G155-K157 VanDerWaalsContact C-N 3.33Å; G155-K157 PolarHBondContact O-N 3.27Å; G155-N158 WeakPolarHBondContact O-CB 3.34Å; G155-N158 PolarHBondContact O-N 2.97Å; G155-V159 WeakPolarHBondContact O-CG2 3.24Å; G155-V159 PolarHBondContact O-N 2.97Å
156P90.9Very high93.1Very high18 Ų1827.1 Ų27.112%0.11713%0.134CC..Hα-helixtrans-53.8-42.6-175-29.834.9000114.8I149 N158 V159 L160 L180 L181 I183I149-P156 HydrophobicContact CD1-CB 3.88Å; I149-P156 HydrophobicContact CD1-CG 4.06Å; I149-P156 HydrophobicContact CG1-CB 4.42Å; I149-P156 HydrophobicContact CG1-CG 4.3Å; I149-P156 HydrophobicContact CG2-CG 4.25Å; P156-N158 PolarHBondContact O-N 3.32Å; P156-V159 PolarHBondContact O-N 2.92Å; P156-L160 WeakPolarHBondContact O-CG 3.32Å; P156-L160 PolarHBondContact O-N 3.45Å; P156-L180 WeakPolarHBondContact CB-O 3.37Å; P156-L181 HydrophobicContact CB-CD2 4.19Å; P156-I183 VanDerWaalsContact CG-O 3.22Å; P156-I183 WeakPolarHBondContact CG-O 3.36Å
157K90.6Very high92.9Very high112 Ų11226.4 Ų26.449%0.48713%0.131SC..Hα-helixtrans-61.5-42.7177.3-67.3-179.2178.7179.90112.1G155 R161 L181 F216G155-K157 VanDerWaalsContact C-N 3.33Å; G155-K157 PolarHBondContact O-N 3.27Å; K157-R161 PolarHBondContact O-N 2.89Å; K157-R161 VanDerWaalsContact O-N 3.14Å; K157-L181 HydrophobicContact CG-CD2 3.76Å; K157-F216 HydrophobicContact CB-CB 4.12Å; K157-F216 HydrophobicContact CG-CB 4.46Å
158N89.3Confident92.6Very high15 Ų1528.9 Ų28.98%0.0816%0.158CC..Hα-helixtrans-66.2-43178.7-64.6-15000110.7G155 P156 R161 F162 I208 M209G155-N158 WeakPolarHBondContact O-CB 3.34Å; G155-N158 PolarHBondContact O-N 2.97Å; P156-N158 PolarHBondContact O-N 3.32Å; N158-R161 WeakPolarHBondContact O-CB 3.5Å; N158-R161 PolarHBondContact O-N 3.21Å; N158-F162 HydrophobicContact CB-CD2 4.42Å; N158-F162 HydrophobicContact CB-CE2 4.33Å; N158-F162 WeakPolarHBondContact O-CD2 3.31Å; N158-F162 PolarHBondContact O-N 3.39Å; N158-I208 HydrophobicContact CB-CG2 4.49Å; N158-I208 PolarHBondContact ND2-O 2.85Å; N158-I208 PolarHBondContact OD1-O 3.35Å; N158-M209 HydrophobicContact CB-SD 3.98Å
159V92.3Very high92.3Very high0 Ų031.4 Ų31.40%017%0.167CC..Hα-helixtrans-61.7-46.2179172.80000111.7C145 L148 I149 W154 G155 P156 R161 F162 F163C145-V159 HydrophobicContact CB-CG1 3.47Å; C145-V159 VanDerWaalsContact CB-CG1 3.47Å; L148-V159 HydrophobicContact CB-CG1 3.85Å; L148-V159 HydrophobicContact CB-CG2 3.86Å; L148-V159 HydrophobicContact CD1-CG1 3.98Å; I149-V159 HydrophobicContact CG1-CB 4.19Å; I149-V159 HydrophobicContact CG1-CG1 4.27Å; I149-V159 HydrophobicContact CG1-CG2 3.93Å; W154-V159 HydrophobicContact CB-CG2 3.28Å; W154-V159 HydrophobicContact CD2-CG2 4.37Å; W154-V159 HydrophobicContact CE3-CG2 3.92Å; W154-V159 HydrophobicContact CG-CG2 4.21Å; G155-V159 WeakPolarHBondContact O-CG2 3.24Å; G155-V159 PolarHBondContact O-N 2.97Å; P156-V159 PolarHBondContact O-N 2.92Å; V159-R161 VanDerWaalsContact C-N 3.3Å; V159-R161 PolarHBondContact O-N 3.03Å; V159-F162 PolarHBondContact O-N 3.04Å; V159-F163 WeakPolarHBondContact O-CB 3.44Å; V159-F163 PolarHBondContact O-N 3.27Å
160L91.7Very high92Very high3 Ų331.9 Ų31.92%0.01617%0.171CC..Hα-helixtrans-59.7-42.3176.7-74.3167.4000111.6P156 F163 Q164 I171 V177 L180 L181 F216P156-L160 WeakPolarHBondContact O-CG 3.32Å; P156-L160 PolarHBondContact O-N 3.45Å; L160-F163 PolarHBondContact O-N 3.05Å; L160-Q164 WeakPolarHBondContact O-CB 3.39Å; L160-Q164 PolarHBondContact O-N 2.91Å; L160-I171 HydrophobicContact CD2-CD1 3.8Å; L160-V177 HydrophobicContact CD1-CG1 4.03Å; L160-L180 HydrophobicContact CD2-CD1 3.78Å; L160-L181 HydrophobicContact CD1-CD1 4.47Å; L160-L181 HydrophobicContact CD1-CD2 3.61Å; L160-L181 HydrophobicContact CD1-CG 3.82Å; L160-F216 HydrophobicContact CB-CB 4.37Å; L160-F216 HydrophobicContact CB-CD1 4.48Å; L160-F216 HydrophobicContact CB-CD2 3.52Å; L160-F216 HydrophobicContact CB-CE2 3.83Å; L160-F216 HydrophobicContact CB-CG 3.87Å; L160-F216 HydrophobicContact CB-CZ 4.42Å; L160-F216 HydrophobicContact CD1-CD1 3.94Å; L160-F216 HydrophobicContact CD1-CD2 4.43Å; L160-F216 HydrophobicContact CD1-CE1 4.07Å; L160-F216 HydrophobicContact CD1-CG 4.12Å; L160-F216 HydrophobicContact CD1-CZ 4.38Å
161R89.1Confident91.7Very high68 Ų6829.9 Ų29.926%0.25716%0.162SC..Hα-helixtrans-61.9-53.4174.2176.5176.21781732.4111.8K157 N158 V159 F163 Q164 D165 Y214K157-R161 PolarHBondContact O-N 2.89Å; K157-R161 VanDerWaalsContact O-N 3.14Å; N158-R161 WeakPolarHBondContact O-CB 3.5Å; N158-R161 PolarHBondContact O-N 3.21Å; V159-R161 VanDerWaalsContact C-N 3.3Å; V159-R161 PolarHBondContact O-N 3.03Å; R161-F163 PolarHBondContact O-N 3.23Å; R161-Q164 PolarHBondContact O-N 3.2Å; R161-Q164 VanDerWaalsContact O-N 3.1Å; R161-D165 WeakPolarHBondContact CG-OD2 3.29Å; R161-D165 IonicContact NE-OD2 3.49Å; R161-D165 PolarHBondContact NE-OD2 3.21Å; R161-D165 WeakPolarHBondContact O-CB 3.46Å; R161-D165 VanDerWaalsContact O-CG 3.27Å; R161-D165 PolarHBondContact O-N 2.98Å; R161-Y214 VanDerWaalsContact NH1-CD1 3.3Å
162F92.2Very high91.4Very high6 Ų626.3 Ų26.33%0.02615%0.147CC..Hα-helixtrans-58.7-38.4179.6-79.1-60.9000112.2I23 P24 W154 N158 V159 S166 V205 I208 M209I23-F162 HydrophobicContact CG2-CB 4.27Å; P24-F162 HydrophobicContact CG-CD1 4.15Å; P24-F162 HydrophobicContact CG-CE1 4.3Å; W154-F162 HydrophobicContact CE3-CD2 4.27Å; W154-F162 HydrophobicContact CZ3-CD2 4.11Å; N158-F162 HydrophobicContact CB-CD2 4.42Å; N158-F162 HydrophobicContact CB-CE2 4.33Å; N158-F162 WeakPolarHBondContact O-CD2 3.31Å; N158-F162 PolarHBondContact O-N 3.39Å; V159-F162 PolarHBondContact O-N 3.04Å; F162-S166 VanDerWaalsContact O-CB 3.23Å; F162-S166 WeakPolarHBondContact O-CB 3.34Å; F162-S166 PolarHBondContact O-N 3.1Å; F162-S166 PolarHBondContact O-OG 3.1Å; F162-V205 HydrophobicContact CE1-CG1 4.29Å; F162-V205 HydrophobicContact CE1-CG2 4.12Å; F162-V205 HydrophobicContact CZ-CB 4.42Å; F162-V205 HydrophobicContact CZ-CG1 3.94Å; F162-I208 HydrophobicContact CE1-CD1 4.04Å; F162-I208 HydrophobicContact CE1-CG2 4.44Å; F162-I208 HydrophobicContact CE2-CB 4.34Å; F162-I208 HydrophobicContact CE2-CG2 3.72Å; F162-I208 HydrophobicContact CZ-CB 3.84Å; F162-I208 HydrophobicContact CZ-CD1 4.12Å; F162-I208 HydrophobicContact CZ-CG2 3.65Å; F162-M209 HydrophobicContact CD2-SD 4.41Å; F162-M209 HydrophobicContact CE2-CG 3.89Å; F162-M209 HydrophobicContact CE2-SD 3.64Å; F162-M209 HydrophobicContact CZ-CG 4.21Å
163F94.8Very high91Very high0 Ų028.7 Ų28.70%016%0.156CC..Hα-helixtrans-63.7-49.2174.3178-94000111.5I23 P30 T140 G141 V144 V159 L160 R161 S166 R167 I171I23-F163 HydrophobicContact CD1-CD2 4.07Å; P30-F163 HydrophobicContact CB-CD2 4.5Å; P30-F163 HydrophobicContact CB-CE2 3.65Å; P30-F163 HydrophobicContact CB-CZ 4.29Å; P30-F163 HydrophobicContact CG-CE2 4.03Å; T140-F163 HydrophobicContact CG2-CE2 4.13Å; T140-F163 HydrophobicContact CG2-CZ 4.38Å; G141-F163 VanDerWaalsContact CA-CE1 3.5Å; V144-F163 HydrophobicContact CB-CD2 4.46Å; V144-F163 HydrophobicContact CG1-CD2 4.32Å; V159-F163 WeakPolarHBondContact O-CB 3.44Å; V159-F163 PolarHBondContact O-N 3.27Å; L160-F163 PolarHBondContact O-N 3.05Å; R161-F163 PolarHBondContact O-N 3.23Å; F163-S166 PolarHBondContact O-N 3.03Å; F163-R167 HydrophobicContact CD1-CB 4.49Å; F163-R167 HydrophobicContact CE1-CB 4.02Å; F163-R167 HydrophobicContact CE1-CG 4.19Å; F163-R167 HydrophobicContact CE2-CB 4.25Å; F163-R167 HydrophobicContact CZ-CB 3.88Å; F163-R167 HydrophobicContact CZ-CG 3.9Å; F163-R167 WeakPolarHBondContact O-CB 3.3Å; F163-R167 PolarHBondContact O-N 3.12Å; F163-I171 HydrophobicContact CD1-CG1 4.06Å; F163-I171 HydrophobicContact CE1-CG1 4.01Å
164Q92.7Very high90.8Very high49 Ų4933.9 Ų33.923%0.22918%0.177CC..Hα-helixtrans-58.8-49.7178.8172.5175.1-27.900111.6L160 R161 S166 R167 G168 Y169 A170L160-Q164 WeakPolarHBondContact O-CB 3.39Å; L160-Q164 PolarHBondContact O-N 2.91Å; R161-Q164 PolarHBondContact O-N 3.2Å; R161-Q164 VanDerWaalsContact O-N 3.1Å; Q164-S166 VanDerWaalsContact C-N 3.32Å; Q164-S166 PolarHBondContact O-N 2.95Å; Q164-R167 PolarHBondContact O-N 3.31Å; Q164-G168 WeakPolarHBondContact O-CA 3.33Å; Q164-G168 PolarHBondContact O-N 2.9Å; Q164-Y169 PolarHBondContact O-N 2.84Å; Q164-A170 HydrophobicContact CG-CB 4.14Å
165D89.3Confident90.7Very high88 Ų8835.1 Ų35.147%0.47119%0.187SC..Hα-helixtrans-61.6-42.2-179.7-66.3-11.7000110.6R161R161-D165 WeakPolarHBondContact CG-OD2 3.29Å; R161-D165 IonicContact NE-OD2 3.49Å; R161-D165 PolarHBondContact NE-OD2 3.21Å; R161-D165 WeakPolarHBondContact O-CB 3.46Å; R161-D165 VanDerWaalsContact O-CG 3.27Å; R161-D165 PolarHBondContact O-N 2.98Å
166S95.3Very high90.8Very high10 Ų1033.9 Ų33.97%0.0717%0.174CC..Hα-helixtrans-74.3-41.2-179.8-52.80000112.5G20 E21 I23 F162 F163 Q164G20-S166 CarbonylContact C-O 3.55Å; G20-S166 WeakPolarHBondContact CA-O 3.39Å; E21-S166 PolarHBondContact N-O 3.34Å; I23-S166 WeakPolarHBondContact CA-OG 3.48Å; I23-S166 WeakPolarHBondContact CG1-OG 3.49Å; F162-S166 VanDerWaalsContact O-CB 3.23Å; F162-S166 WeakPolarHBondContact O-CB 3.34Å; F162-S166 PolarHBondContact O-N 3.1Å; F162-S166 PolarHBondContact O-OG 3.1Å; F163-S166 PolarHBondContact O-N 3.03Å; Q164-S166 VanDerWaalsContact C-N 3.32Å; Q164-S166 PolarHBondContact O-N 2.95Å
167R95.7Very high90.8Very high2 Ų233.5 Ų33.51%0.00817%0.171CC..Hα-helixtrans-78.5-26.2-178.1179.255.2-167.7106.3-9.2112.4S17 P30 H135 G136 F163 Q164 Y169S17-R167 PolarHBondContact O-NH1 3.22Å; S17-R167 PolarHBondContact O-NH2 3.22Å; S17-R167 PolarHBondContact OG-NH1 3.47Å; P30-R167 HydrophobicContact CB-CB 4.36Å; P30-R167 HydrophobicContact CB-CG 4.49Å; P30-R167 HydrophobicContact CG-CB 3.8Å; P30-R167 HydrophobicContact CG-CG 4.38Å; H135-R167 PolarHBondContact O-NH2 3.36Å; G136-R167 VanDerWaalsContact O-CD 3.26Å; G136-R167 WeakPolarHBondContact O-CD 3.49Å; G136-R167 PolarHBondContact O-NE 3.27Å; F163-R167 HydrophobicContact CD1-CB 4.49Å; F163-R167 HydrophobicContact CE1-CB 4.02Å; F163-R167 HydrophobicContact CE1-CG 4.19Å; F163-R167 HydrophobicContact CE2-CB 4.25Å; F163-R167 HydrophobicContact CZ-CB 3.88Å; F163-R167 HydrophobicContact CZ-CG 3.9Å; F163-R167 WeakPolarHBondContact O-CB 3.3Å; F163-R167 PolarHBondContact O-N 3.12Å; Q164-R167 PolarHBondContact O-N 3.31Å; R167-Y169 VanDerWaalsContact C-N 3.29Å; R167-Y169 HydrophobicContact CG-CD2 4.18Å; R167-Y169 VanDerWaalsContact NH1-CE2 3.31Å
168G91.5Very high90.8Very high54 Ų5432.1 Ų32.156%0.55717%0.169SC*.THydrogen-bonded Turntrans79.87.2-17000000114.1Q164Q164-G168 WeakPolarHBondContact O-CA 3.33Å; Q164-G168 PolarHBondContact O-N 2.9Å
169Y90.8Very high91Very high53 Ų5333.6 Ų33.621%0.20818%0.178CC..SBendtrans-146.3136-179.5-56.2-75.6000110.4Y16 S17 V137 Q164 R167 V225Y16-Y169 HydrophobicContact CD1-CD1 4.2Å; Y16-Y169 HydrophobicContact CD1-CD2 4.07Å; Y16-Y169 HydrophobicContact CD1-CE1 4.17Å; Y16-Y169 HydrophobicContact CD1-CE2 4.03Å; Y16-Y169 HydrophobicContact CD1-CG 4.16Å; S17-Y169 PolarHBondContact N-OH 3.32Å; S17-Y169 WeakPolarHBondContact OG-CE2 3.29Å; V137-Y169 HydrophobicContact CG2-CD2 4.18Å; V137-Y169 HydrophobicContact CG2-CG 4.2Å; Q164-Y169 PolarHBondContact O-N 2.84Å; R167-Y169 VanDerWaalsContact C-N 3.29Å; R167-Y169 HydrophobicContact CG-CD2 4.18Å; R167-Y169 VanDerWaalsContact NH1-CE2 3.31Å; Y169-V225 HydrophobicContact CD1-CG2 3.66Å; Y169-V225 HydrophobicContact CE1-CG2 3.52Å
170A89.7Confident91.2Very high10 Ų1033.6 Ų33.68%0.08318%0.178CC..  trans-72.9156.1171.200000111.5V137 Q164 E172 V219V137-A170 WeakPolarHBondContact CG1-O 3.41Å; Q164-A170 HydrophobicContact CG-CB 4.14Å; A170-E172 PolarHBondContact O-N 3.49Å; A170-V219 HydrophobicContact CB-CB 3.91Å; A170-V219 HydrophobicContact CB-CG2 3.41Å; A170-V219 VanDerWaalsContact CB-CG2 3.41Å
171I89.9Confident91.2Very high8 Ų836.4 Ų36.44%0.04119%0.192CC..  trans-64.7120.1168-61.2177000108L160 F163 L176 V177 L180L160-I171 HydrophobicContact CD2-CD1 3.8Å; F163-I171 HydrophobicContact CD1-CG1 4.06Å; F163-I171 HydrophobicContact CE1-CG1 4.01Å; I171-L176 HydrophobicContact CG2-CB 4.01Å; I171-L176 HydrophobicContact CG2-CD1 4.29Å; I171-V177 HydrophobicContact CB-CG2 3.77Å; I171-V177 HydrophobicContact CG2-CG2 3.71Å; I171-L180 HydrophobicContact CD1-CD1 3.79Å
172E87.7Confident91.4Very high17 Ų1736.7 Ų36.78%0.07921%0.209CC..  trans-79.8-35.6-173.9-55.4170.6163.900112Y16 V137 N138 A170 K174 F224Y16-E172 PolarHBondContact OH-OE1 2.94Å; Y16-E172 PolarHBondContact OH-OE2 3.45Å; V137-E172 HydrophobicContact CG1-CG 4.17Å; N138-E172 PolarHBondContact ND2-OE2 3.24Å; N138-E172 PolarHBondContact OD1-N 2.94Å; A170-E172 PolarHBondContact O-N 3.49Å; E172-K174 PolarHBondContact O-N 2.87Å; E172-F224 HydrophobicContact CB-CD1 4.07Å; E172-F224 HydrophobicContact CB-CD2 4.34Å; E172-F224 HydrophobicContact CB-CE1 4.05Å; E172-F224 HydrophobicContact CB-CE2 4.29Å; E172-F224 HydrophobicContact CB-CG 4.24Å; E172-F224 HydrophobicContact CB-CZ 4.17Å; E172-F224 HydrophobicContact CG-CD1 3.78Å; E172-F224 HydrophobicContact CG-CE1 4.15Å; E172-F224 HydrophobicContact CG-CG 4.09Å; E172-F224 WeakPolarHBondContact O-CZ 3.47Å
173R85.6Confident91.5Very high55 Ų5537.7 Ų37.721%0.20821%0.214CC..  trans-78.4105.4-176.3-58.7-60.5-165.9-167.81.3110.8N138 A175 L176 V177 D237 D239 Y241N138-R173 HydrophobicContact CB-CG 4.22Å; N138-R173 PolarHBondContact OD1-N 2.95Å; R173-A175 VanDerWaalsContact C-N 3.25Å; R173-A175 PolarHBondContact O-N 3.01Å; R173-A175 VanDerWaalsContact O-N 3.16Å; R173-L176 HydrophobicContact CB-CB 4.43Å; R173-L176 HydrophobicContact CB-CD1 3.86Å; R173-L176 HydrophobicContact CB-CG 3.96Å; R173-L176 HydrophobicContact CG-CD1 4.3Å; R173-L176 WeakPolarHBondContact O-CB 3.43Å; R173-L176 PolarHBondContact O-N 3.17Å; R173-V177 PolarHBondContact O-N 3.04Å; R173-D237 PolarHBondContact NH2-O 2.94Å; R173-D239 IonicContact CZ-OD2 2.65Å; R173-D239 IonicContact NH2-OD2 3.69Å; R173-D239 PolarHBondContact NH2-OD2 3.34Å; R173-Y241 HydrophobicContact CB-CE2 4.05Å; R173-Y241 HydrophobicContact CG-CE2 3.82Å
174K86.9Confident91.3Very high118 Ų11844.7 Ų44.751%0.51325%0.252SS..Hα-helixtrans-51.3-38.4178.3-66.1-178.3-176.1167.40114.1E172 L176 V177 N178 D221E172-K174 PolarHBondContact O-N 2.87Å; K174-L176 VanDerWaalsContact C-N 3.29Å; K174-L176 PolarHBondContact O-N 3Å; K174-V177 PolarHBondContact O-N 3.03Å; K174-N178 WeakPolarHBondContact O-CB 3.44Å; K174-N178 PolarHBondContact O-N 3.01Å; K174-D221 WeakPolarHBondContact CE-OD1 3.22Å; K174-D221 VanDerWaalsContact NZ-CG 3.26Å; K174-D221 IonicContact NZ-OD1 2.76Å; K174-D221 PolarHBondContact NZ-OD1 3.26Å; K174-D221 IonicContact NZ-OD2 2.64Å; K174-D221 PolarHBondContact NZ-OD2 2.66Å
175A89.4Confident91.1Very high26 Ų2644.3 Ų44.322%0.21525%0.254CS..Hα-helixtrans-59.9-37.217700000113R173 N179 Y241R173-A175 VanDerWaalsContact C-N 3.25Å; R173-A175 PolarHBondContact O-N 3.01Å; R173-A175 VanDerWaalsContact O-N 3.16Å; A175-N179 VanDerWaalsContact O-CB 3.3Å; A175-N179 WeakPolarHBondContact O-CB 3.3Å; A175-N179 PolarHBondContact O-N 2.83Å; A175-N179 VanDerWaalsContact O-N 3.08Å; A175-Y241 HydrophobicContact CB-CD1 3.29Å; A175-Y241 HydrophobicContact CB-CE1 3.78Å; A175-Y241 HydrophobicContact CB-CG 3.78Å
176L92.1Very high91.1Very high0 Ų042.6 Ų42.60%025%0.247CC..Hα-helixtrans-69.2-45.3175.2-61.5177.6000111L101 N138 R139 Y142 I171 R173 K174 N179 L180L101-L176 HydrophobicContact CD2-CD2 3.52Å; N138-L176 HydrophobicContact CB-CD1 3.97Å; R139-L176 VanDerWaalsContact NH1-CD2 3.27Å; Y142-L176 HydrophobicContact CD2-CB 3.86Å; Y142-L176 HydrophobicContact CD2-CD2 3.61Å; Y142-L176 HydrophobicContact CD2-CG 4.25Å; Y142-L176 HydrophobicContact CE2-CD2 4.04Å; Y142-L176 HydrophobicContact CG-CD2 3.99Å; I171-L176 HydrophobicContact CG2-CB 4.01Å; I171-L176 HydrophobicContact CG2-CD1 4.29Å; R173-L176 HydrophobicContact CB-CB 4.43Å; R173-L176 HydrophobicContact CB-CD1 3.86Å; R173-L176 HydrophobicContact CB-CG 3.96Å; R173-L176 HydrophobicContact CG-CD1 4.3Å; R173-L176 WeakPolarHBondContact O-CB 3.43Å; R173-L176 PolarHBondContact O-N 3.17Å; K174-L176 VanDerWaalsContact C-N 3.29Å; K174-L176 PolarHBondContact O-N 3Å; L176-N179 PolarHBondContact O-N 3.39Å; L176-L180 VanDerWaalsContact O-CG 3.3Å; L176-L180 WeakPolarHBondContact O-CG 3.26Å; L176-L180 PolarHBondContact O-N 3.45Å
177V90.2Very high90.5Very high9 Ų951.3 Ų51.36%0.05529%0.287CS..Hα-helixtrans-60.6-49.4178.4177.90000110.9L160 I171 R173 K174 N179 L180 L181 F216L160-V177 HydrophobicContact CD1-CG1 4.03Å; I171-V177 HydrophobicContact CB-CG2 3.77Å; I171-V177 HydrophobicContact CG2-CG2 3.71Å; R173-V177 PolarHBondContact O-N 3.04Å; K174-V177 PolarHBondContact O-N 3.03Å; V177-N179 VanDerWaalsContact C-N 3.33Å; V177-N179 PolarHBondContact O-N 3.3Å; V177-L180 PolarHBondContact O-N 2.98Å; V177-L181 HydrophobicContact CG1-CD1 3.9Å; V177-L181 HydrophobicContact CG1-CG 4.37Å; V177-L181 WeakPolarHBondContact O-CG 3.48Å; V177-L181 PolarHBondContact O-N 3.24Å; V177-F216 HydrophobicContact CG1-CE1 3.67Å; V177-F216 HydrophobicContact CG1-CZ 4.1Å
178N90.6Very high89.7Confident83 Ų8355.5 Ų55.544%0.44433%0.33SS..Hα-helixtrans-61.5-42.1179.3-69.9-8.5000111.5K174 L181 A182K174-N178 WeakPolarHBondContact O-CB 3.44Å; K174-N178 PolarHBondContact O-N 3.01Å; N178-L181 PolarHBondContact O-N 3.14Å; N178-A182 WeakPolarHBondContact O-CB 3.28Å; N178-A182 PolarHBondContact O-N 3.12Å
179N94.5Very high89.2Confident47 Ų4756.1 Ų56.125%0.25132%0.323SS..Hα-helixtrans-62.2-44.5175.7179.8-108.1000111.7L101 Y142 A175 L176 V177 L181 A182 I183L101-N179 HydrophobicContact CD1-CB 3.97Å; L101-N179 HydrophobicContact CD2-CB 4Å; Y142-N179 HydrophobicContact CE2-CB 4.4Å; Y142-N179 VanDerWaalsContact CE2-OD1 3.27Å; Y142-N179 WeakPolarHBondContact CE2-OD1 3.14Å; Y142-N179 PolarHBondContact OH-OD1 2.71Å; A175-N179 VanDerWaalsContact O-CB 3.3Å; A175-N179 WeakPolarHBondContact O-CB 3.3Å; A175-N179 PolarHBondContact O-N 2.83Å; A175-N179 VanDerWaalsContact O-N 3.08Å; L176-N179 PolarHBondContact O-N 3.39Å; V177-N179 VanDerWaalsContact C-N 3.33Å; V177-N179 PolarHBondContact O-N 3.3Å; N179-L181 PolarHBondContact O-N 2.65Å; N179-A182 PolarHBondContact O-N 3.44Å; N179-I183 WeakPolarHBondContact O-CG1 3.23Å; N179-I183 PolarHBondContact O-N 3.29Å
180L95.1Very high88.8Confident0 Ų057.2 Ų57.20%033%0.333CS..Hα-helixtrans-63-41.4176.2-68.8167.8000112.5Y142 C145 R146 I149 P156 L160 I171 L176 V177 A182 I183Y142-L180 HydrophobicContact CD2-CD1 4.11Å; Y142-L180 HydrophobicContact CD2-CD2 4.01Å; Y142-L180 HydrophobicContact CD2-CG 3.88Å; Y142-L180 HydrophobicContact CE2-CD2 4.06Å; Y142-L180 HydrophobicContact CE2-CG 4.06Å; C145-L180 HydrophobicContact CB-CD1 3.71Å; C145-L180 HydrophobicContact CB-CD2 3.93Å; C145-L180 HydrophobicContact CB-CG 4.44Å; R146-L180 HydrophobicContact CB-CD2 3.88Å; I149-L180 HydrophobicContact CD1-CB 4.24Å; I149-L180 HydrophobicContact CD1-CD2 4.09Å; P156-L180 WeakPolarHBondContact CB-O 3.37Å; L160-L180 HydrophobicContact CD2-CD1 3.78Å; I171-L180 HydrophobicContact CD1-CD1 3.79Å; L176-L180 VanDerWaalsContact O-CG 3.3Å; L176-L180 WeakPolarHBondContact O-CG 3.26Å; L176-L180 PolarHBondContact O-N 3.45Å; V177-L180 PolarHBondContact O-N 2.98Å; L180-A182 PolarHBondContact O-N 3.14Å; L180-I183 HydrophobicContact CD2-CD1 4.34Å; L180-I183 PolarHBondContact O-N 3.13Å
181L92Very high88.4Confident62 Ų6259 Ų5933%0.32534%0.337SS..Hα-helixtrans-65.6-26.9177.7-73.1173.8000113P156 K157 L160 V177 N178 N179 I183P156-L181 HydrophobicContact CB-CD2 4.19Å; K157-L181 HydrophobicContact CG-CD2 3.76Å; L160-L181 HydrophobicContact CD1-CD1 4.47Å; L160-L181 HydrophobicContact CD1-CD2 3.61Å; L160-L181 HydrophobicContact CD1-CG 3.82Å; V177-L181 HydrophobicContact CG1-CD1 3.9Å; V177-L181 HydrophobicContact CG1-CG 4.37Å; V177-L181 WeakPolarHBondContact O-CG 3.48Å; V177-L181 PolarHBondContact O-N 3.24Å; N178-L181 PolarHBondContact O-N 3.14Å; N179-L181 PolarHBondContact O-N 2.65Å; L181-I183 VanDerWaalsContact C-N 3.34Å
182A93.8Very high88Confident73 Ų7363.1 Ų63.160%0.60336%0.355SS*.Hα-helixtrans-80.2-12.4177.300000113.6N178 N179 L180 N184N178-A182 WeakPolarHBondContact O-CB 3.28Å; N178-A182 PolarHBondContact O-N 3.12Å; N179-A182 PolarHBondContact O-N 3.44Å; L180-A182 PolarHBondContact O-N 3.14Å; A182-N184 PolarHBondContact O-N 3.29Å
183I93.7Very high87.9Confident27 Ų2769.4 Ų69.414%0.13838%0.382CS..PPolyproline II helixtrans-78.1122.4178.9-61.3167.6000109.5R146 I149 E150 P156 N179 L180 L181R146-I183 HydrophobicContact CG-CD1 4.19Å; I149-I183 HydrophobicContact CG2-CB 4.06Å; I149-I183 HydrophobicContact CG2-CG2 3.52Å; E150-I183 HydrophobicContact CG-CG2 3.94Å; P156-I183 VanDerWaalsContact CG-O 3.22Å; P156-I183 WeakPolarHBondContact CG-O 3.36Å; N179-I183 WeakPolarHBondContact O-CG1 3.23Å; N179-I183 PolarHBondContact O-N 3.29Å; L180-I183 HydrophobicContact CD2-CD1 4.34Å; L180-I183 PolarHBondContact O-N 3.13Å; L181-I183 VanDerWaalsContact C-N 3.34Å
184N90.2Very high88Confident147 Ų14767.3 Ų67.379%0.78638%0.375SS*.PPolyproline II helixtrans-81.9125.9170.6-69.9-48.7000110.1A182A182-N184 PolarHBondContact O-N 3.29Å
185P88.6Confident87.8Confident42 Ų4261.7 Ų61.727%0.27335%0.351SS..PPolyproline II helixtrans-56.1142.5172.7-25.134.4000111.6I149 Q187I149-P185 HydrophobicContact CG2-CG 4.35Å; P185-Q187 PolarHBondContact O-N 3.49Å
186P89.2Confident87.7Confident51 Ų5166.4 Ų66.433%0.33137%0.368SS..PPolyproline II helixtrans-56.1131.9178.5-21.927.7000112.3I149 E150 S153 V189I149-P186 WeakPolarHBondContact O-CD 3.5Å; E150-P186 WeakPolarHBondContact O-CG 3.38Å; S153-P186 WeakPolarHBondContact OG-CD 3.32Å; P186-V189 HydrophobicContact CB-CG2 4.23Å
187Q82.9Confident87.3Confident193 Ų19372.2 Ų72.290%0.90239%0.394SS*.THydrogen-bonded Turntrans-70.3149.9176.3-61.5-176.69.800111.1P185 V189P185-Q187 PolarHBondContact O-N 3.49Å; Q187-V189 PolarHBondContact O-N 3.44Å
188G79.5Confident87Confident90 Ų9073.6 Ų73.693%0.92840%0.399SS*.THydrogen-bonded Turntrans79-11.5179.200000115.5
189V81.1Confident86.7Confident67 Ų6772.1 Ų72.141%0.40640%0.395SS..  trans-93.6120.1177.3179.10000109.9S153 P186 Q187 W191 N194S153-V189 WeakPolarHBondContact OG-CB 3.46Å; S153-V189 WeakPolarHBondContact OG-CG1 3.44Å; P186-V189 HydrophobicContact CB-CG2 4.23Å; Q187-V189 PolarHBondContact O-N 3.44Å; V189-W191 PolarHBondContact O-N 3.34Å; V189-N194 WeakPolarHBondContact CG1-ND2 3.46Å
190N82.6Confident86.3Confident77 Ų7774.8 Ų74.841%0.41242%0.417SS..  trans-87.5112.2-178.2-170.9-43.2000111.2K192 K193 N194N190-K192 PolarHBondContact O-N 3.19Å; N190-K192 WeakPolarHBondContact OD1-CA 3.47Å; N190-K192 WeakPolarHBondContact OD1-CB 3.27Å; N190-K192 PolarHBondContact OD1-N 3.41Å; N190-K193 HydrophobicContact CB-CB 4.37Å; N190-K193 HydrophobicContact CB-CD 4.32Å; N190-K193 HydrophobicContact CB-CG 4.19Å; N190-K193 PolarHBondContact O-N 3.48Å; N190-K193 VanDerWaalsContact O-N 3.16Å; N190-K193 PolarHBondContact OD1-N 2.76Å; N190-N194 PolarHBondContact O-N 2.97Å
191W81.2Confident85.9Confident46 Ų4675.6 Ų75.617%0.17442%0.423CS..Hα-helixtrans-56.8-33.6178.368.5-102.5000113.4L152 S153 V189 K193 N194 M195 M209 N210L152-W191 WeakPolarHBondContact O-CA 3.27Å; S153-W191 WeakPolarHBondContact O-CB 3.28Å; V189-W191 PolarHBondContact O-N 3.34Å; W191-K193 PolarHBondContact O-N 3.17Å; W191-N194 WeakPolarHBondContact O-CB 3.37Å; W191-N194 PolarHBondContact O-N 3Å; W191-N194 VanDerWaalsContact O-N 3.15Å; W191-M195 HydrophobicContact CE3-CG 4.14Å; W191-M195 HydrophobicContact CE3-SD 3.34Å; W191-M195 HydrophobicContact CZ3-SD 3.36Å; W191-M195 WeakPolarHBondContact CZ3-SD 3.12Å; W191-M195 WeakPolarHBondContact O-CG 3.27Å; W191-M195 PolarHBondContact O-N 3.35Å; W191-M209 HydrophobicContact CB-CE 4.17Å; W191-M209 HydrophobicContact CD2-CE 3.55Å; W191-M209 HydrophobicContact CE3-CB 4.19Å; W191-M209 HydrophobicContact CE3-CE 3.4Å; W191-M209 VanDerWaalsContact CE3-CE 3.4Å; W191-M209 HydrophobicContact CE3-CG 4.35Å; W191-M209 HydrophobicContact CG-CE 3.92Å; W191-M209 HydrophobicContact CH2-CB 3.29Å; W191-M209 HydrophobicContact CH2-CG 4.19Å; W191-M209 HydrophobicContact CZ2-CB 3.75Å; W191-M209 HydrophobicContact CZ3-CB 3.55Å; W191-M209 HydrophobicContact CZ3-CE 3.96Å; W191-M209 HydrophobicContact CZ3-CG 3.92Å; W191-N210 WeakPolarHBondContact CZ2-OD1 3.4Å
192K81.9Confident85.8Confident96 Ų9676.2 Ų76.242%0.41743%0.429SS..Hα-helixtrans-63.1-44.6179.2-60.8178.3177.9177.70110.7N190 N194 M195 Q196 N210N190-K192 PolarHBondContact O-N 3.19Å; N190-K192 WeakPolarHBondContact OD1-CA 3.47Å; N190-K192 WeakPolarHBondContact OD1-CB 3.27Å; N190-K192 PolarHBondContact OD1-N 3.41Å; K192-N194 VanDerWaalsContact C-N 3.28Å; K192-N194 PolarHBondContact O-N 2.98Å; K192-M195 PolarHBondContact O-N 3.22Å; K192-Q196 WeakPolarHBondContact O-CG 3.2Å; K192-Q196 PolarHBondContact O-N 2.9Å; K192-Q196 VanDerWaalsContact O-N 3.16Å; K192-N210 WeakPolarHBondContact CE-OD1 3.44Å; K192-N210 PolarHBondContact NZ-OD1 3.32Å
193K85.4Confident85.5Confident149 Ų14976 Ų7665%0.64843%0.427SS*.Hα-helixtrans-62.7-37.2175.4-69.3-173177.8-179.70111.3N190 W191N190-K193 HydrophobicContact CB-CB 4.37Å; N190-K193 HydrophobicContact CB-CD 4.32Å; N190-K193 HydrophobicContact CB-CG 4.19Å; N190-K193 PolarHBondContact O-N 3.48Å; N190-K193 VanDerWaalsContact O-N 3.16Å; N190-K193 PolarHBondContact OD1-N 2.76Å; W191-K193 PolarHBondContact O-N 3.17Å
194N86.7Confident85.1Confident11 Ų1179.3 Ų79.36%0.05945%0.445CS..Hα-helixtrans-69.4-40.9177.6-76.7-29.1000113L152 V189 N190 W191 K192 K197L152-N194 WeakPolarHBondContact CA-ND2 3.21Å; L152-N194 HydrophobicContact CB-CB 4.16Å; L152-N194 HydrophobicContact CD2-CB 4.16Å; L152-N194 PolarHBondContact O-ND2 2.81Å; V189-N194 WeakPolarHBondContact CG1-ND2 3.46Å; N190-N194 PolarHBondContact O-N 2.97Å; W191-N194 WeakPolarHBondContact O-CB 3.37Å; W191-N194 PolarHBondContact O-N 3Å; W191-N194 VanDerWaalsContact O-N 3.15Å; K192-N194 VanDerWaalsContact C-N 3.28Å; K192-N194 PolarHBondContact O-N 2.98Å; N194-K197 VanDerWaalsContact O-CB 3.28Å; N194-K197 WeakPolarHBondContact O-CB 3.38Å; N194-K197 WeakPolarHBondContact O-CG 3.36Å; N194-K197 PolarHBondContact O-N 2.79Å; N194-K197 WeakPolarHBondContact OD1-CE 3.48Å; N194-K197 PolarHBondContact OD1-NZ 3.22Å
195M83.9Confident85Confident0 Ų072.4 Ų72.40%041%0.408CS..Hα-helixtrans-64.7-39.4177.2-71.4-176.193.800112.5N25 W154 W191 K192 K197 F198 S199 P201 V205 M209N25-M195 HydrophobicContact CB-CB 3.89Å; N25-M195 HydrophobicContact CB-CE 3.54Å; N25-M195 HydrophobicContact CB-CG 4.07Å; W154-M195 HydrophobicContact CH2-CE 4.02Å; W154-M195 HydrophobicContact CZ2-CE 3.81Å; W154-M195 HydrophobicContact CZ2-CG 3.61Å; W154-M195 HydrophobicContact CZ2-SD 4.2Å; W191-M195 HydrophobicContact CE3-CG 4.14Å; W191-M195 HydrophobicContact CE3-SD 3.34Å; W191-M195 HydrophobicContact CZ3-SD 3.36Å; W191-M195 WeakPolarHBondContact CZ3-SD 3.12Å; W191-M195 WeakPolarHBondContact O-CG 3.27Å; W191-M195 PolarHBondContact O-N 3.35Å; K192-M195 PolarHBondContact O-N 3.22Å; M195-K197 PolarHBondContact O-N 2.86Å; M195-K197 VanDerWaalsContact O-N 3.16Å; M195-F198 PolarHBondContact O-N 2.82Å; M195-S199 CarbonylContact C-O 3.54Å; M195-S199 PolarHBondContact O-N 3.05Å; M195-P201 HydrophobicContact CE-CB 4.3Å; M195-V205 HydrophobicContact CE-CG1 3.31Å; M195-M209 HydrophobicContact CE-CG 4.1Å; M195-M209 HydrophobicContact SD-CE 3.96Å; M195-M209 HydrophobicContact SD-CG 3.98Å; M195-M209 HydrophobicContact SD-SD 4.49Å
196Q85.9Confident85Confident124 Ų12476.4 Ų76.458%0.57942%0.418SS*.THydrogen-bonded Turntrans-63.4-17.2177.7-73.9173.2-1400113.5K192 F198 S199K192-Q196 WeakPolarHBondContact O-CG 3.2Å; K192-Q196 PolarHBondContact O-N 2.9Å; K192-Q196 VanDerWaalsContact O-N 3.16Å; Q196-F198 PolarHBondContact O-N 2.81Å; Q196-S199 WeakPolarHBondContact CA-O 3.49Å
197K83.9Confident84.8Confident123 Ų12376.9 Ų76.954%0.53542%0.423SS..THydrogen-bonded Turntrans-63.2-26.8172.4-64173.6177170.50112.5N194 M195N194-K197 VanDerWaalsContact O-CB 3.28Å; N194-K197 WeakPolarHBondContact O-CB 3.38Å; N194-K197 WeakPolarHBondContact O-CG 3.36Å; N194-K197 PolarHBondContact O-N 2.79Å; N194-K197 WeakPolarHBondContact OD1-CE 3.48Å; N194-K197 PolarHBondContact OD1-NZ 3.22Å; M195-K197 PolarHBondContact O-N 2.86Å; M195-K197 VanDerWaalsContact O-N 3.16Å
198F84.7Confident84.8Confident38 Ų3868.6 Ų68.617%0.16738%0.384CS..THydrogen-bonded Turntrans-102.8-48.6-176.3-58.6-79.3000111.7N25 P27 L152 M195 Q196N25-F198 WeakPolarHBondContact O-CD2 3.19Å; N25-F198 WeakPolarHBondContact O-CG 3.43Å; P27-F198 HydrophobicContact CB-CE1 4.27Å; P27-F198 VanDerWaalsContact CD-CE1 3.49Å; P27-F198 HydrophobicContact CG-CE1 3.89Å; P27-F198 HydrophobicContact CG-CZ 4.46Å; L152-F198 HydrophobicContact CD1-CE2 3.77Å; L152-F198 HydrophobicContact CD1-CZ 4.38Å; L152-F198 HydrophobicContact CD2-CE2 4.27Å; M195-F198 PolarHBondContact O-N 2.82Å; Q196-F198 PolarHBondContact O-N 2.81Å
199S84Confident85Confident52 Ų5264.8 Ų64.836%0.36434%0.342SS..  trans-167.5168.9175.958.30000110.6N25 M195 Q196N25-S199 PolarHBondContact ND2-O 3.14Å; N25-S199 PolarHBondContact ND2-OG 3.47Å; N25-S199 VanDerWaalsContact ND2-OG 3.11Å; M195-S199 CarbonylContact C-O 3.54Å; M195-S199 PolarHBondContact O-N 3.05Å; Q196-S199 WeakPolarHBondContact CA-O 3.49Å
200S86.4Confident85.2Confident103 Ų10366.1 Ų66.172%0.7235%0.347SS*.PPolyproline II helixtrans-69.3125.2168.3-67.30000110
201P86.5Confident84.8Confident17 Ų1763.8 Ų63.811%0.1134%0.337CS..PPolyproline II helixtrans-70.7135.7179.228.3-33.9000110.9N25 M195 V205 R206N25-P201 VanDerWaalsContact ND2-CA 3.31Å; N25-P201 WeakPolarHBondContact ND2-CA 3.46Å; N25-P201 VanDerWaalsContact ND2-N 3.19Å; M195-P201 HydrophobicContact CE-CB 4.3Å; P201-V205 HydrophobicContact CB-CB 4.34Å; P201-V205 HydrophobicContact CB-CG1 3.9Å; P201-R206 HydrophobicContact CB-CG 3.85Å; P201-R206 HydrophobicContact CG-CG 3.68Å; P201-R206 PolarHBondContact O-NE 3.48Å
202T88.8Confident84Confident74 Ų7466.3 Ų66.345%0.45436%0.362SS..PPolyproline II helixtrans-64.8167.1175.4560000111D204 V205 R206T202-D204 WeakPolarHBondContact CB-OD1 3.48Å; T202-D204 PolarHBondContact O-N 3.21Å; T202-D204 PolarHBondContact OG1-OD1 2.99Å; T202-V205 PolarHBondContact O-N 3.2Å; T202-V205 WeakPolarHBondContact OG1-CG2 3.42Å; T202-R206 WeakPolarHBondContact O-CB 3.14Å; T202-R206 WeakPolarHBondContact O-CG 3.27Å; T202-R206 PolarHBondContact O-N 2.8Å
203A88.1Confident82.8Confident68 Ų6870.5 Ų70.556%0.56238%0.38SS*.Hα-helixtrans-64.2-39.9-175.300000112.5R206 S207A203-R206 PolarHBondContact O-N 3.03Å; A203-S207 WeakPolarHBondContact O-CB 3.28Å; A203-S207 PolarHBondContact O-N 2.82Å
204D86.2Confident81.1Confident98 Ų9869.2 Ų69.252%0.52437%0.372SS..Hα-helixtrans-62.9-47.9174.558.9-56.6000111.8T202 R206 S207 I208T202-D204 WeakPolarHBondContact CB-OD1 3.48Å; T202-D204 PolarHBondContact O-N 3.21Å; T202-D204 PolarHBondContact OG1-OD1 2.99Å; D204-R206 VanDerWaalsContact C-N 3.33Å; D204-R206 PolarHBondContact O-N 3.45Å; D204-S207 WeakPolarHBondContact O-CB 3.41Å; D204-S207 PolarHBondContact O-N 3.16Å; D204-S207 VanDerWaalsContact O-N 3.1Å; D204-I208 WeakPolarHBondContact O-CG1 3.49Å; D204-I208 PolarHBondContact O-N 2.9Å
205V87.8Confident79.6Confident2 Ų271.8 Ų71.81%0.01239%0.391CS..Hα-helixtrans-60.1-44.1176171.70000110.9P24 F162 M195 P201 T202 S207 I208 M209P24-V205 HydrophobicContact CB-CG1 4.39Å; P24-V205 HydrophobicContact CB-CG2 3.66Å; P24-V205 HydrophobicContact CG-CG2 4.05Å; F162-V205 HydrophobicContact CE1-CG1 4.29Å; F162-V205 HydrophobicContact CE1-CG2 4.12Å; F162-V205 HydrophobicContact CZ-CB 4.42Å; F162-V205 HydrophobicContact CZ-CG1 3.94Å; M195-V205 HydrophobicContact CE-CG1 3.31Å; P201-V205 HydrophobicContact CB-CB 4.34Å; P201-V205 HydrophobicContact CB-CG1 3.9Å; T202-V205 PolarHBondContact O-N 3.2Å; T202-V205 WeakPolarHBondContact OG1-CG2 3.42Å; V205-S207 VanDerWaalsContact C-N 3.33Å; V205-S207 PolarHBondContact O-N 3.49Å; V205-I208 PolarHBondContact O-N 3.49Å; V205-M209 WeakPolarHBondContact O-CB 3.47Å; V205-M209 VanDerWaalsContact O-CG 3.29Å; V205-M209 WeakPolarHBondContact O-CG 3.37Å; V205-M209 PolarHBondContact O-N 2.93Å
206R87.5Confident78.3Confident126 Ų12672.7 Ų72.748%0.47540%0.395SS..Hα-helixtrans-62.4-39.9174.7-76-173.4-77.4157.7-0.8112.1P201 T202 A203 D204 M209 N210P201-R206 HydrophobicContact CB-CG 3.85Å; P201-R206 HydrophobicContact CG-CG 3.68Å; P201-R206 PolarHBondContact O-NE 3.48Å; T202-R206 WeakPolarHBondContact O-CB 3.14Å; T202-R206 WeakPolarHBondContact O-CG 3.27Å; T202-R206 PolarHBondContact O-N 2.8Å; A203-R206 PolarHBondContact O-N 3.03Å; D204-R206 VanDerWaalsContact C-N 3.33Å; D204-R206 PolarHBondContact O-N 3.45Å; R206-M209 PolarHBondContact O-N 3.32Å; R206-N210 WeakPolarHBondContact O-CB 3.36Å; R206-N210 VanDerWaalsContact O-CG 3.31Å; R206-N210 PolarHBondContact O-N 2.82Å; R206-N210 PolarHBondContact O-ND2 3.11Å
207S86.1Confident76.9Confident61 Ų6171.7 Ų71.743%0.42740%0.397SS..Hα-helixtrans-62.6-47.6178.5-1760000111.4A203 D204 V205 M209 N210 S211A203-S207 WeakPolarHBondContact O-CB 3.28Å; A203-S207 PolarHBondContact O-N 2.82Å; D204-S207 WeakPolarHBondContact O-CB 3.41Å; D204-S207 PolarHBondContact O-N 3.16Å; D204-S207 VanDerWaalsContact O-N 3.1Å; V205-S207 VanDerWaalsContact C-N 3.33Å; V205-S207 PolarHBondContact O-N 3.49Å; S207-M209 PolarHBondContact O-N 2.82Å; S207-N210 PolarHBondContact O-N 2.92Å; S207-S211 WeakPolarHBondContact O-CB 3.28Å; S207-S211 PolarHBondContact O-N 3.25Å
208I82.9Confident75.7Confident18 Ų1870.2 Ų70.29%0.09240%0.4CS..Hα-helixtrans-60.2-47.2175.7-65.1168.4000110.3N158 F162 D204 V205 N210 S211N158-I208 HydrophobicContact CB-CG2 4.49Å; N158-I208 PolarHBondContact ND2-O 2.85Å; N158-I208 PolarHBondContact OD1-O 3.35Å; F162-I208 HydrophobicContact CE1-CD1 4.04Å; F162-I208 HydrophobicContact CE1-CG2 4.44Å; F162-I208 HydrophobicContact CE2-CB 4.34Å; F162-I208 HydrophobicContact CE2-CG2 3.72Å; F162-I208 HydrophobicContact CZ-CB 3.84Å; F162-I208 HydrophobicContact CZ-CD1 4.12Å; F162-I208 HydrophobicContact CZ-CG2 3.65Å; D204-I208 WeakPolarHBondContact O-CG1 3.49Å; D204-I208 PolarHBondContact O-N 2.9Å; V205-I208 PolarHBondContact O-N 3.49Å; I208-N210 PolarHBondContact O-N 2.96Å; I208-S211 PolarHBondContact O-N 2.97Å
209M84.3Confident74.4Confident11 Ų1170 Ų705%0.05440%0.402CS..Hα-helixtrans-66.9-31-177.8-73.2-65.6-70.800114.4W154 N158 F162 W191 M195 V205 R206 S207W154-M209 HydrophobicContact CB-CE 3.97Å; W154-M209 HydrophobicContact CD2-CE 3.91Å; W154-M209 HydrophobicContact CD2-SD 4.28Å; W154-M209 HydrophobicContact CE3-CE 4.5Å; W154-M209 HydrophobicContact CE3-SD 4.28Å; W154-M209 HydrophobicContact CG-CE 3.6Å; W154-M209 HydrophobicContact CG-SD 4.4Å; N158-M209 HydrophobicContact CB-SD 3.98Å; F162-M209 HydrophobicContact CD2-SD 4.41Å; F162-M209 HydrophobicContact CE2-CG 3.89Å; F162-M209 HydrophobicContact CE2-SD 3.64Å; F162-M209 HydrophobicContact CZ-CG 4.21Å; W191-M209 HydrophobicContact CB-CE 4.17Å; W191-M209 HydrophobicContact CD2-CE 3.55Å; W191-M209 HydrophobicContact CE3-CB 4.19Å; W191-M209 HydrophobicContact CE3-CE 3.4Å; W191-M209 VanDerWaalsContact CE3-CE 3.4Å; W191-M209 HydrophobicContact CE3-CG 4.35Å; W191-M209 HydrophobicContact CG-CE 3.92Å; W191-M209 HydrophobicContact CH2-CB 3.29Å; W191-M209 HydrophobicContact CH2-CG 4.19Å; W191-M209 HydrophobicContact CZ2-CB 3.75Å; W191-M209 HydrophobicContact CZ3-CB 3.55Å; W191-M209 HydrophobicContact CZ3-CE 3.96Å; W191-M209 HydrophobicContact CZ3-CG 3.92Å; M195-M209 HydrophobicContact CE-CG 4.1Å; M195-M209 HydrophobicContact SD-CE 3.96Å; M195-M209 HydrophobicContact SD-CG 3.98Å; M195-M209 HydrophobicContact SD-SD 4.49Å; V205-M209 WeakPolarHBondContact O-CB 3.47Å; V205-M209 VanDerWaalsContact O-CG 3.29Å; V205-M209 WeakPolarHBondContact O-CG 3.37Å; V205-M209 PolarHBondContact O-N 2.93Å; R206-M209 PolarHBondContact O-N 3.32Å; S207-M209 PolarHBondContact O-N 2.82Å
210N83.5Confident73Confident94 Ų9469.4 Ų69.450%0.50340%0.4SS..Hα-helixtrans-87-12.6177.3-69.2-51.2000113.2W191 K192 R206 S207 I208 S212W191-N210 WeakPolarHBondContact CZ2-OD1 3.4Å; K192-N210 WeakPolarHBondContact CE-OD1 3.44Å; K192-N210 PolarHBondContact NZ-OD1 3.32Å; R206-N210 WeakPolarHBondContact O-CB 3.36Å; R206-N210 VanDerWaalsContact O-CG 3.31Å; R206-N210 PolarHBondContact O-N 2.82Å; R206-N210 PolarHBondContact O-ND2 3.11Å; S207-N210 PolarHBondContact O-N 2.92Å; I208-N210 PolarHBondContact O-N 2.96Å; N210-S212 PolarHBondContact O-N 3.41Å
211S74.6Confident71.6Confident29 Ų2968.5 Ų68.520%0.20339%0.387CS..  trans-76.2126.7-178.2-176.10000111.3S207 I208 F213 Y214S207-S211 WeakPolarHBondContact O-CB 3.28Å; S207-S211 PolarHBondContact O-N 3.25Å; I208-S211 PolarHBondContact O-N 2.97Å; S211-F213 VanDerWaalsContact C-N 3.33Å; S211-F213 PolarHBondContact OG-N 3Å; S211-F213 VanDerWaalsContact OG-N 3.14Å; S211-Y214 WeakPolarHBondContact OG-CD2 3.16Å; S211-Y214 PolarHBondContact OG-N 3.21Å
212S64.5Low70.1Confident99 Ų9975.4 Ų75.469%0.69242%0.418SS*.SBendtrans-77.9-21.916551.60000112.3N210N210-S212 PolarHBondContact O-N 3.41Å
213F56.2Low68.5Low183 Ų18377.5 Ų77.580%0.80343%0.426SS*.SBendtrans-100.5-19.9-167.2-67.4-77.9000114.8S211 S215S211-F213 VanDerWaalsContact C-N 3.33Å; S211-F213 PolarHBondContact OG-N 3Å; S211-F213 VanDerWaalsContact OG-N 3.14Å; F213-S215 PolarHBondContact O-N 3.33Å
214Y51Low67.2Low123 Ų12376.2 Ų76.248%0.48241%0.408SS..  trans-71.482.2175.3-78.2-61.2000109R161 S211 F216R161-Y214 VanDerWaalsContact NH1-CD1 3.3Å; S211-Y214 WeakPolarHBondContact OG-CD2 3.16Å; S211-Y214 PolarHBondContact OG-N 3.21Å; Y214-F216 PolarHBondContact O-N 2.87Å
215S54.8Low65.7Low65 Ų6573.2 Ų73.246%0.45539%0.393SS..  trans-70.1124.517361.90000108.3F213 V217F213-S215 PolarHBondContact O-N 3.33Å; S215-V217 PolarHBondContact O-N 2.85Å
216F56.7Low64.2Low18 Ų1878.3 Ų78.38%0.07942%0.424CS..  trans-41.7117150166.9-101.2000108K157 L160 V177 Y214 P218K157-F216 HydrophobicContact CB-CB 4.12Å; K157-F216 HydrophobicContact CG-CB 4.46Å; L160-F216 HydrophobicContact CB-CB 4.37Å; L160-F216 HydrophobicContact CB-CD1 4.48Å; L160-F216 HydrophobicContact CB-CD2 3.52Å; L160-F216 HydrophobicContact CB-CE2 3.83Å; L160-F216 HydrophobicContact CB-CG 3.87Å; L160-F216 HydrophobicContact CB-CZ 4.42Å; L160-F216 HydrophobicContact CD1-CD1 3.94Å; L160-F216 HydrophobicContact CD1-CD2 4.43Å; L160-F216 HydrophobicContact CD1-CE1 4.07Å; L160-F216 HydrophobicContact CD1-CG 4.12Å; L160-F216 HydrophobicContact CD1-CZ 4.38Å; V177-F216 HydrophobicContact CG1-CE1 3.67Å; V177-F216 HydrophobicContact CG1-CZ 4.1Å; Y214-F216 PolarHBondContact O-N 2.87Å; F216-P218 HydrophobicContact CD1-CG 4.31Å; F216-P218 HydrophobicContact CE1-CB 4.16Å; F216-P218 HydrophobicContact CE1-CG 3.98Å; F216-P218 WeakPolarHBondContact O-CD 2.99Å
217V57.4Low62.4Low104 Ų10474.2 Ų74.263%0.6341%0.412SS*.  trans-90.8114.9172.5-178.40000105.4S215 V219S215-V217 PolarHBondContact O-N 2.85Å; V217-V219 PolarHBondContact O-N 3.43Å; V217-V219 VanDerWaalsContact O-N 3.15Å
218P58Low60.6Low91 Ų9180.6 Ų80.659%0.59143%0.432SS*.PPolyproline II helixtrans-54.8124.7173.6-21.732.4000108.8F216 A220F216-P218 HydrophobicContact CD1-CG 4.31Å; F216-P218 HydrophobicContact CE1-CB 4.16Å; F216-P218 HydrophobicContact CE1-CG 3.98Å; F216-P218 WeakPolarHBondContact O-CD 2.99Å; P218-A220 PolarHBondContact O-N 3.48Å
219V57.5Low58.9Low35 Ų3588.8 Ų88.821%0.21247%0.467CS..PPolyproline II helixtrans-61.2131.9173.8174.60000108.1A170 V217 D223 F224A170-V219 HydrophobicContact CB-CB 3.91Å; A170-V219 HydrophobicContact CB-CG2 3.41Å; A170-V219 VanDerWaalsContact CB-CG2 3.41Å; V217-V219 PolarHBondContact O-N 3.43Å; V217-V219 VanDerWaalsContact O-N 3.15Å; V219-D223 HydrophobicContact CG1-CB 3.35Å; V219-F224 HydrophobicContact CB-CE1 4.17Å; V219-F224 HydrophobicContact CG1-CD1 4.18Å; V219-F224 HydrophobicContact CG1-CE1 4.13Å
220A54.4Low56.8Low38 Ų3889.8 Ų89.831%0.31447%0.474SS..PPolyproline II helixtrans-62.9148.8178.900000109.7P218 E222 D223P218-A220 PolarHBondContact O-N 3.48Å; A220-E222 HydrophobicContact CB-CG 3.8Å; A220-E222 PolarHBondContact O-N 3.07Å; A220-D223 PolarHBondContact O-N 2.97Å
221D57.2Low54.8Low85 Ų8590.3 Ų90.346%0.45549%0.485SS..G310 helixtrans-60-24.6-175.4-66.2-27.3000112.4K174 F224K174-D221 WeakPolarHBondContact CE-OD1 3.22Å; K174-D221 VanDerWaalsContact NZ-CG 3.26Å; K174-D221 IonicContact NZ-OD1 2.76Å; K174-D221 PolarHBondContact NZ-OD1 3.26Å; K174-D221 IonicContact NZ-OD2 2.64Å; K174-D221 PolarHBondContact NZ-OD2 2.66Å; D221-F224 HydrophobicContact CB-CD2 4.25Å; D221-F224 HydrophobicContact CB-CE2 4.16Å; D221-F224 WeakPolarHBondContact O-CD2 3.27Å; D221-F224 WeakPolarHBondContact OD1-CE2 3.17Å
222E53.9Low53.3Low161 Ų16194.1 Ų94.175%0.75251%0.512SS*.G310 helixtrans-72.1-23.1176.760.8-159.4161.400114.5A220A220-E222 HydrophobicContact CB-CG 3.8Å; A220-E222 PolarHBondContact O-N 3.07Å
223D56.6Low51.9Low119 Ų11992.8 Ų92.864%0.63650%0.497SS*.G310 helixtrans-90.2-5.9178.2-71.7-32.1000112.5V219 A220V219-D223 HydrophobicContact CG1-CB 3.35Å; A220-D223 PolarHBondContact O-N 2.97Å
224F59.8Low50.9Low41 Ų4186.9 Ų86.918%0.1848%0.481CS..SBendtrans-62.2155.1170.6-65.4-32.2000110.5E172 V219 D221 V226E172-F224 HydrophobicContact CB-CD1 4.07Å; E172-F224 HydrophobicContact CB-CD2 4.34Å; E172-F224 HydrophobicContact CB-CE1 4.05Å; E172-F224 HydrophobicContact CB-CE2 4.29Å; E172-F224 HydrophobicContact CB-CG 4.24Å; E172-F224 HydrophobicContact CB-CZ 4.17Å; E172-F224 HydrophobicContact CG-CD1 3.78Å; E172-F224 HydrophobicContact CG-CE1 4.15Å; E172-F224 HydrophobicContact CG-CG 4.09Å; E172-F224 WeakPolarHBondContact O-CZ 3.47Å; V219-F224 HydrophobicContact CB-CE1 4.17Å; V219-F224 HydrophobicContact CG1-CD1 4.18Å; V219-F224 HydrophobicContact CG1-CE1 4.13Å; D221-F224 HydrophobicContact CB-CD2 4.25Å; D221-F224 HydrophobicContact CB-CE2 4.16Å; D221-F224 WeakPolarHBondContact O-CD2 3.27Å; D221-F224 WeakPolarHBondContact OD1-CE2 3.17Å; F224-V226 VanDerWaalsContact O-CG2 3.23Å; F224-V226 WeakPolarHBondContact O-CG2 3.44Å; F224-V226 PolarHBondContact O-N 2.87Å
225V56Low50.2Low34 Ų3486.6 Ų86.621%0.20649%0.488CS..  trans-68.686.3178.8-176.70000109.1R12 C15 Y16 Y169R12-V225 PolarHBondContact NH1-O 2.95Å; C15-V225 HydrophobicContact CB-CG1 3.54Å; Y16-V225 HydrophobicContact CD1-CG2 4.26Å; Y16-V225 HydrophobicContact CE1-CB 3.99Å; Y16-V225 HydrophobicContact CE1-CG2 3.86Å; Y169-V225 HydrophobicContact CD1-CG2 3.66Å; Y169-V225 HydrophobicContact CE1-CG2 3.52Å
226V56.3Low49.3Very low110 Ų11090.8 Ų90.867%0.66750%0.504SS*.  trans-91.5110.7170.3-150.50000106.5F224 K228F224-V226 VanDerWaalsContact O-CG2 3.23Å; F224-V226 WeakPolarHBondContact O-CG2 3.44Å; F224-V226 PolarHBondContact O-N 2.87Å; V226-K228 PolarHBondContact O-N 3.46Å
227D49.4Very low48.5Very low40 Ų4094.5 Ų94.521%0.21453%0.525CS..  trans-76.4112.5177.9-178.815.4000109.2C15 K229 C230 S231C15-D227 VanDerWaalsContact SG-CB 3.6Å; C15-D227 PolarHBondContact SG-OD2 2.92Å; D227-K229 PolarHBondContact O-N 3.07Å; D227-K229 WeakPolarHBondContact OD1-CA 3.44Å; D227-K229 VanDerWaalsContact OD1-CB 3.28Å; D227-K229 WeakPolarHBondContact OD1-CB 3.48Å; D227-K229 PolarHBondContact OD1-N 3.17Å; D227-C230 HydrophobicContact CB-CB 3.81Å; D227-C230 CarbonylContact O-C 3.54Å; D227-C230 PolarHBondContact O-N 3.38Å; D227-C230 WeakPolarHBondContact OD2-CB 3.46Å; D227-C230 PolarHBondContact OD2-N 2.82Å; D227-C230 VanDerWaalsContact OD2-N 3.14Å; D227-C230 PolarHBondContact OD2-SG 2.99Å; D227-S231 PolarHBondContact O-N 3.3Å
228K48Very low47.7Very low195 Ų19596 Ų9685%0.84852%0.522SS*.THydrogen-bonded Turntrans-59.7-22169.6-76.1-172.8179.1178.10111.8V226 S231V226-K228 PolarHBondContact O-N 3.46Å; K228-S231 PolarHBondContact O-OG 3.04Å
229K47.5Very low46.9Very low189 Ų18994 Ų9482%0.82251%0.507SS*.THydrogen-bonded Turntrans-85.7-18.4173.4-63.2-176.1176.7179.20113.8D227D227-K229 PolarHBondContact O-N 3.07Å; D227-K229 WeakPolarHBondContact OD1-CA 3.44Å; D227-K229 VanDerWaalsContact OD1-CB 3.28Å; D227-K229 WeakPolarHBondContact OD1-CB 3.48Å; D227-K229 PolarHBondContact OD1-N 3.17Å
230C40.1Very low45.8Very low32 Ų3298.4 Ų98.422%0.21653%0.534CS..SBendtrans-101.517.3171.7-74.90000113.2R12 D227 S232 I233R12-C230 HydrophobicContact CG-CB 4.33Å; D227-C230 HydrophobicContact CB-CB 3.81Å; D227-C230 CarbonylContact O-C 3.54Å; D227-C230 PolarHBondContact O-N 3.38Å; D227-C230 WeakPolarHBondContact OD2-CB 3.46Å; D227-C230 PolarHBondContact OD2-N 2.82Å; D227-C230 VanDerWaalsContact OD2-N 3.14Å; D227-C230 PolarHBondContact OD2-SG 2.99Å; C230-S232 PolarHBondContact O-N 2.91Å; C230-I233 HydrophobicContact CB-CB 4.48Å; C230-I233 HydrophobicContact CB-CD1 3.64Å; C230-I233 HydrophobicContact CB-CG1 3.87Å; C230-I233 WeakPolarHBondContact O-CB 3.44Å; C230-I233 PolarHBondContact O-N 3.42Å; C230-I233 WeakPolarHBondContact SG-CD1 3.36Å
231S40.5Very low44.7Very low105 Ų10597.8 Ų97.873%0.73452%0.523SS*.THydrogen-bonded Turntrans-59.9-13.717754.60000113.5D227 K228D227-S231 PolarHBondContact O-N 3.3Å; K228-S231 PolarHBondContact O-OG 3.04Å
232S43.6Very low43.5Very low110 Ų11097.2 Ų97.277%0.76952%0.524SS*.THydrogen-bonded Turntrans-87.5-2.5172.662.60000115C230 A234C230-S232 PolarHBondContact O-N 2.91Å; S232-A234 PolarHBondContact O-N 3.28Å
233I34.4Very low42.7Very low71 Ų7196 Ų9636%0.36453%0.528SS..SBendtrans-78.7116.5175-60.6-171.8000108.2V11 C230V11-I233 HydrophobicContact CB-CD1 4.38Å; V11-I233 HydrophobicContact CG1-CD1 3.42Å; V11-I233 VanDerWaalsContact CG1-CD1 3.42Å; V11-I233 HydrophobicContact CG1-CG2 4.21Å; V11-I233 HydrophobicContact CG2-CD1 4.25Å; C230-I233 HydrophobicContact CB-CB 4.48Å; C230-I233 HydrophobicContact CB-CD1 3.64Å; C230-I233 HydrophobicContact CB-CG1 3.87Å; C230-I233 WeakPolarHBondContact O-CB 3.44Å; C230-I233 PolarHBondContact O-N 3.42Å; C230-I233 WeakPolarHBondContact SG-CD1 3.36Å
234A35.2Very low41.8Very low58 Ų5895.6 Ų95.648%0.47953%0.526SS..  trans-49139.1-178.300000111.9S232 I236S232-A234 PolarHBondContact O-N 3.28Å; A234-I236 HydrophobicContact CB-CB 4.46Å; A234-I236 HydrophobicContact CB-CD1 3.7Å; A234-I236 HydrophobicContact CB-CG1 3.81Å; A234-I236 PolarHBondContact O-N 3.44Å
235D37.6Very low40.5Very low117 Ų11799 Ų9963%0.62655%0.546SS*.G310 helixtrans-52.1-5175.6-85.6-59.8000115.1D237 K238D235-D237 PolarHBondContact O-N 2.88Å; D235-K238 WeakPolarHBondContact O-CB 3.27Å; D235-K238 PolarHBondContact O-N 3.43Å; D235-K238 VanDerWaalsContact OD1-CE 3.3Å; D235-K238 WeakPolarHBondContact OD1-CE 3.22Å; D235-K238 IonicContact OD1-NZ 2.83Å; D235-K238 PolarHBondContact OD1-NZ 3.43Å
236I36.2Very low39.7Very low153 Ų153105 Ų10579%0.78557%0.571SS**G310 helixtrans-63.9-19.2-176.9-49.2168.6000112A234 K238A234-I236 HydrophobicContact CB-CB 4.46Å; A234-I236 HydrophobicContact CB-CD1 3.7Å; A234-I236 HydrophobicContact CB-CG1 3.81Å; A234-I236 PolarHBondContact O-N 3.44Å; I236-K238 VanDerWaalsContact C-N 3.31Å
237D40Very low39Very low97 Ų97104 Ų10452%0.51957%0.565SS.*G310 helixtrans-88.25.3175-126.518.1000113.3R173 D235 D239R173-D237 PolarHBondContact NH2-O 2.94Å; D235-D237 PolarHBondContact O-N 2.88Å; D237-D239 PolarHBondContact O-N 2.99Å
238K40.5Very low38.5Very low134 Ų134105.1 Ų105.158%0.58357%0.568SS**SBendtrans-70.681.9160.2-72.2178.7175.7153.50107.7D235 I236 V240D235-K238 WeakPolarHBondContact O-CB 3.27Å; D235-K238 PolarHBondContact O-N 3.43Å; D235-K238 VanDerWaalsContact OD1-CE 3.3Å; D235-K238 WeakPolarHBondContact OD1-CE 3.22Å; D235-K238 IonicContact OD1-NZ 2.83Å; D235-K238 PolarHBondContact OD1-NZ 3.43Å; I236-K238 VanDerWaalsContact C-N 3.31Å; K238-V240 PolarHBondContact O-N 3.39Å
239D39.9Very low37.9Very low51 Ų51102.8 Ų102.827%0.27356%0.558SS.*  trans-41.9108.9166.8-71.1-49.2000109.8N99 R173 D237 Y241N99-D239 HydrophobicContact CB-CB 3.97Å; R173-D239 IonicContact CZ-OD2 2.65Å; R173-D239 IonicContact NH2-OD2 3.69Å; R173-D239 PolarHBondContact NH2-OD2 3.34Å; D237-D239 PolarHBondContact O-N 2.99Å; D239-Y241 HydrophobicContact CB-CE2 4.39Å; D239-Y241 WeakPolarHBondContact O-CD2 3.48Å; D239-Y241 PolarHBondContact O-N 3.43Å
240V35.7Very low37.4Very low126 Ų12698.5 Ų98.576%0.76454%0.544SS*.  trans-70.9100.3-178.1179.30000107.9K238K238-V240 PolarHBondContact O-N 3.39Å
241Y30.2Very low37.2Very low25 Ų2599.9 Ų99.910%0.09856%0.558CS.*  trans-74.2135.5162.5-77.6-96000107.9G98 R139 R173 A175 D239 T243G98-Y241 PolarHBondContact O-OH 3.29Å; G98-Y241 VanDerWaalsContact O-OH 3.12Å; R139-Y241 PolarHBondContact NH2-OH 2.9Å; R173-Y241 HydrophobicContact CB-CE2 4.05Å; R173-Y241 HydrophobicContact CG-CE2 3.82Å; A175-Y241 HydrophobicContact CB-CD1 3.29Å; A175-Y241 HydrophobicContact CB-CE1 3.78Å; A175-Y241 HydrophobicContact CB-CG 3.78Å; D239-Y241 HydrophobicContact CB-CE2 4.39Å; D239-Y241 WeakPolarHBondContact O-CD2 3.48Å; D239-Y241 PolarHBondContact O-N 3.43Å; Y241-T243 PolarHBondContact O-N 3.11Å; Y241-T243 PolarHBondContact O-OG1 2.92Å
242P32.3Very low37Very low74 Ų7498.2 Ų98.248%0.48155%0.55SS.*  trans-52.8117.6165.8-20.530.7000108.2D244 F248P242-D244 VanDerWaalsContact C-N 3.3Å; P242-D244 PolarHBondContact O-N 3.26Å; P242-F248 HydrophobicContact CB-CE2 4.28Å
243T37.5Very low36.6Very low136 Ų13699.1 Ų99.183%0.83454%0.542SS*.  trans-76.9-21.5-169-34.20000111.9Y241Y241-T243 PolarHBondContact O-N 3.11Å; Y241-T243 PolarHBondContact O-OG1 2.92Å
244D36.7Very low36.8Very low109 Ų109104.2 Ų104.258%0.58356%0.562SS**  trans-89.6113179.9-77.2-41.5000112.8P242 H246 T247P242-D244 VanDerWaalsContact C-N 3.3Å; P242-D244 PolarHBondContact O-N 3.26Å; D244-H246 PolarHBondContact O-N 2.92Å; D244-H246 VanDerWaalsContact O-N 3.11Å; D244-T247 PolarHBondContact O-N 2.82Å
245L33.2Very low37Very low114 Ų114107.2 Ų107.260%0.59757%0.574SS**Hα-helixtrans-51.5-25.5166.8-103.1151.7000113.1F248 F249L245-F248 WeakPolarHBondContact O-CB 3.17Å; L245-F248 PolarHBondContact O-N 2.74Å; L245-F249 HydrophobicContact CD2-CE2 4.45Å
246H39.2Very low36.9Very low158 Ų158106.4 Ų106.473%0.73158%0.577SS**Hα-helixtrans-75.4-36.6-177.3-145.271.1000112.6D244 F248D244-H246 PolarHBondContact O-N 2.92Å; D244-H246 VanDerWaalsContact O-N 3.11Å; H246-F248 PolarHBondContact O-N 3.11Å
247T42.1Very low36.6Very low89 Ų89102 Ų10255%0.54657%0.57SS.*Hα-helixtrans-68.2-19.1172.9-39.80000111.5D244 A251D244-T247 PolarHBondContact O-N 2.82Å; T247-A251 PolarHBondContact O-N 2.76Å
248F37.2Very low36.2Very low64 Ų64105 Ų10528%0.28159%0.585SS.*Hα-helixtrans-74.1-44.8-176.7-109.3-80.5000114.3L101 P242 L245 H246 A251L101-F248 HydrophobicContact CD1-CD1 4.08Å; L101-F248 HydrophobicContact CD1-CE1 3.34Å; L101-F248 HydrophobicContact CD1-CZ 4.12Å; L101-F248 HydrophobicContact CG-CE1 3.64Å; L101-F248 HydrophobicContact CG-CZ 4Å; P242-F248 HydrophobicContact CB-CE2 4.28Å; L245-F248 WeakPolarHBondContact O-CB 3.17Å; L245-F248 PolarHBondContact O-N 2.74Å; H246-F248 PolarHBondContact O-N 3.11Å; F248-A251 PolarHBondContact O-N 2.89Å
249F36.2Very low35.7Very low147 Ų147106.8 Ų106.865%0.64560%0.596SS**Hα-helixtrans-67.4-38.1179.6-79.7-78.5000111.8L245 A251 A252 E253L245-F249 HydrophobicContact CD2-CE2 4.45Å; F249-A251 VanDerWaalsContact C-N 3.33Å; F249-A251 PolarHBondContact O-N 3.12Å; F249-A252 PolarHBondContact O-N 3.49Å; F249-E253 PolarHBondContact O-N 3.45Å; F249-E253 VanDerWaalsContact O-N 3.14Å
250L38.2Very low34.9Very low98 Ų98116.8 Ų116.851%0.51363%0.629SS.*Hα-helixtrans-69-28.6179.9-68171.3000113.4K254L250-K254 WeakPolarHBondContact O-CB 3.4Å; L250-K254 PolarHBondContact O-N 3.4Å
251A35.7Very low34.5Very low61 Ų61116 Ų11650%0.50463%0.63SS.*Hα-helixtrans-71.1-32.6175.900000112.2T247 F248 F249 V255T247-A251 PolarHBondContact O-N 2.76Å; F248-A251 PolarHBondContact O-N 2.89Å; F249-A251 VanDerWaalsContact C-N 3.33Å; F249-A251 PolarHBondContact O-N 3.12Å; A251-V255 WeakPolarHBondContact O-CG2 3.33Å
252A34.5Very low34.3Very low71 Ų71119.3 Ų119.359%0.58766%0.657SS**Hα-helixtrans-73.7-40.417500000111.6F249 V255F249-A252 PolarHBondContact O-N 3.49Å; A252-V255 PolarHBondContact O-N 3.47Å
253E37Very low34.2Very low128 Ų128122.7 Ų122.760%0.59867%0.671SS**Hα-helixtrans-72.6-31.2178.1-72.3-177.3160.300113.2F249 V255 S256F249-E253 PolarHBondContact O-N 3.45Å; F249-E253 VanDerWaalsContact O-N 3.14Å; E253-V255 PolarHBondContact O-N 2.83Å; E253-S256 PolarHBondContact O-N 3.03Å; E253-S256 PolarHBondContact O-OG 3.48Å; E253-S256 VanDerWaalsContact O-OG 3.09Å
254K37.7Very low33.9Very low178 Ų178121.8 Ų121.877%0.77467%0.67SS**Hα-helixtrans-66.2-20.3174.2-90-175.2174.1179.80113.7L250L250-K254 WeakPolarHBondContact O-CB 3.4Å; L250-K254 PolarHBondContact O-N 3.4Å
255V40.3Very low33.6Very low121 Ų121122.4 Ų122.473%0.73368%0.68SS**Hα-helixtrans-86.1-21.8177.61800000111.9A251 A252 E253A251-V255 WeakPolarHBondContact O-CG2 3.33Å; A252-V255 PolarHBondContact O-N 3.47Å; E253-V255 PolarHBondContact O-N 2.83Å
256S35.2Very low33.3Very low100 Ų100125.2 Ų125.270%0.69969%0.694SS**SBendtrans-88.10.2175.757.60000114.4E253E253-S256 PolarHBondContact O-N 3.03Å; E253-S256 PolarHBondContact O-OG 3.48Å; E253-S256 VanDerWaalsContact O-OG 3.09Å
257G30Very low32.8Very low61 Ų61124.1 Ų124.163%0.62970%0.699SS**  trans-102.25.8-173.200000117.5
258L31.4Very low32.1Very low160 Ų160128.6 Ų128.684%0.83871%0.714SS**  trans-107125-175-142.369.1000113.3
259Q28.8Very low31.7Very low172 Ų172134.6 Ų134.680%0.80474%0.743SS**  trans-46.4143.4-173.4-74.7163.5-47.700114.8S261Q259-S261 PolarHBondContact O-N 3.46Å
260R23.8Very low31.2Very low260 Ų260137.1 Ų137.198%0.98175%0.748SS**  trans-49.3103159.6-69.5174.8176.2179-2.1109.6
261S26.8Very low30.7Very low110 Ų110139.5 Ų139.577%0.76976%0.76SS**  trans-119.4125.3155.960.20000108Q259Q259-S261 PolarHBondContact O-N 3.46Å
262S27.4Very low30.4Very low95 Ų95142.5 Ų142.566%0.66478%0.775SS**  trans-55.9162.4172.750.20000111.9
263D29.3Very low30.1Very low145 Ų145146.3 Ų146.378%0.77578%0.78SS**  trans83.686.3161.5-49.4-35.6000118
264S30.9Very low29.9Very low117 Ų117144.9 Ų144.982%0.81879%0.785SS**  -159.2141.2126.1-850000111.5L266S264-L266 PolarHBondContact O-N 3.06Å
265P30.1Very low29.6Very low122 Ų122144.5 Ų144.579%0.79279%0.79SS**  trans-86.7113-169.910.38.8000110T267P265-T267 PolarHBondContact O-N 3.32Å
266L27.3Very low29.2Very low172 Ų172147.3 Ų147.390%0.90180%0.795SS**  trans-70.7115.3164.6-77.3166.6000108S264 E268S264-L266 PolarHBondContact O-N 3.06Å; L266-E268 PolarHBondContact O-N 2.98Å
267T29.7Very low28.9Very low135 Ų135152 Ų15283%0.82880%0.804SS**  trans-62.995.7173.8-49.30000109.1P265 Q269P265-T267 PolarHBondContact O-N 3.32Å; T267-Q269 PolarHBondContact O-N 3.23Å; T267-Q269 VanDerWaalsContact O-N 3.11Å
268E27.5Very low28.9Very low184 Ų184156.8 Ų156.886%0.8681%0.81SS**  trans-67.9102176.6-157.4170.3-147.900108.3L266 R270L266-E268 PolarHBondContact O-N 2.98Å; E268-R270 VanDerWaalsContact C-N 3.28Å; E268-R270 PolarHBondContact O-N 3.33Å
269Q27.4Very low28.7Very low189 Ų189154.4 Ų154.488%0.88381%0.806SS**  trans-70.391.1169.8-76.8-171.4-53.200108.6T267 L271T267-Q269 PolarHBondContact O-N 3.23Å; T267-Q269 VanDerWaalsContact O-N 3.11Å; Q269-L271 PolarHBondContact O-N 3.14Å
270R25.5Very low28.9Very low200 Ų200154 Ų15476%0.75580%0.804SS**  trans-60.8114.6172.6-165.2170.8-174.9165.50.7109.4E268 E273E268-R270 VanDerWaalsContact C-N 3.28Å; E268-R270 PolarHBondContact O-N 3.33Å; R270-E273 IonicContact CZ-OE2 3.6Å; R270-E273 IonicContact NE-OE2 3.83Å; R270-E273 IonicContact NH2-OE2 3.11Å; R270-E273 PolarHBondContact NH2-OE2 3.35Å
271L27.6Very low29.1Very low148 Ų148150.5 Ų150.578%0.77580%0.799SS**  trans-64.8147.5169.3-78.7162.6000109.6Q269 E273Q269-L271 PolarHBondContact O-N 3.14Å; L271-E273 PolarHBondContact O-N 3.12Å; L271-E273 VanDerWaalsContact O-N 3.12Å
272P30.6Very low29.2Very low124 Ų124153.1 Ų153.181%0.80580%0.803SS**  trans-66.9113-174.5-1428.1000111.5S274P272-S274 PolarHBondContact O-N 3.44Å
273E28.5Very low29.3Very low151 Ų151156.9 Ų156.971%0.70681%0.811SS**  trans-82.796163.4-72.1174.9134.600108.4R270 L271R270-E273 IonicContact CZ-OE2 3.6Å; R270-E273 IonicContact NE-OE2 3.83Å; R270-E273 IonicContact NH2-OE2 3.11Å; R270-E273 PolarHBondContact NH2-OE2 3.35Å; L271-E273 PolarHBondContact O-N 3.12Å; L271-E273 VanDerWaalsContact O-N 3.12Å
274S31.8Very low29.2Very low99 Ų99162 Ų16269%0.69282%0.819SS**  trans169.197.4149.458.70000110.3P272P272-S274 PolarHBondContact O-N 3.44Å
275L31.9Very low29.2Very low170 Ų170162.6 Ų162.689%0.8982%0.817SS**  trans-13783.5146-101.6163.5000104.7F277L275-F277 PolarHBondContact O-N 3.39Å
276E31.3Very low29Very low179 Ų179159.9 Ų159.984%0.83681%0.811SS**  trans-54.3107.8169.8-67.3179156.500107.5E278E276-E278 PolarHBondContact O-N 2.92Å
277F29.7Very low29.1Very low200 Ų200159.8 Ų159.888%0.87781%0.806SS**  trans-84.899.2170.7-139.5-91.9000106.1L275 S279L275-F277 PolarHBondContact O-N 3.39Å; F277-S279 PolarHBondContact O-N 2.64Å
278E29.6Very low29Very low161 Ų161162.3 Ų162.375%0.75281%0.808SS**  trans-53.6106.2173.3-77.5175.9135.400109.7E276 H280E276-E278 PolarHBondContact O-N 2.92Å; E278-H280 PolarHBondContact O-N 3.36Å
279S26.6Very low29.3Very low110 Ų110160.8 Ų160.877%0.76981%0.806SS**  trans-77.897.4169.954.50000108.2F277 E281F277-S279 PolarHBondContact O-N 2.64Å; S279-E281 PolarHBondContact O-N 3.2Å
280H32.7Very low29.2Very low164 Ų164159.3 Ų159.376%0.75980%0.804SS**  trans-64104.8167-84-78.5000109.6E278 L282E278-H280 PolarHBondContact O-N 3.36Å; H280-L282 PolarHBondContact O-N 3.39Å
281E28.7Very low29.5Very low185 Ų185156.4 Ų156.486%0.86481%0.808SS**  trans-56.6101.5161.2-86.5-173.9129.200109.2S279 Q283S279-E281 PolarHBondContact O-N 3.2Å; E281-Q283 PolarHBondContact O-N 3.39Å
282L28Very low29.4Very low166 Ų166152.4 Ų152.487%0.86980%0.803SS**  trans-81.4108.8163.1-127.890.7000108.1H280 R284H280-L282 PolarHBondContact O-N 3.39Å; L282-R284 PolarHBondContact O-N 3.06Å
283Q31.2Very low29.3Very low174 Ų174153.8 Ų153.881%0.81380%0.801SS**  trans-53128.9179.3-74.9169.6-2600112E281 V285E281-Q283 PolarHBondContact O-N 3.39Å; Q283-V285 PolarHBondContact O-N 2.88Å; Q283-V285 VanDerWaalsContact O-N 3.13Å
284R27Very low29.4Very low252 Ų252152.6 Ų152.695%0.95181%0.809SS**  trans-66.4103.4167.9-67.8-179.3-169.71714.5108.9L282L282-R284 PolarHBondContact O-N 3.06Å
285V30.7Very low29.4Very low130 Ų130155.2 Ų155.279%0.78881%0.808SS**  trans-95.4108.7161.6-172.30000107.1Q283 H287Q283-V285 PolarHBondContact O-N 2.88Å; Q283-V285 VanDerWaalsContact O-N 3.13Å; V285-H287 PolarHBondContact O-N 2.94Å
286G25.8Very low29.3Very low64 Ų64150.3 Ų150.366%0.6680%0.799SS**  trans-72.1121.517100000110.2
287H30.2Very low29Very low170 Ų170150.9 Ų150.979%0.78780%0.799SS**  trans-135.1111148.9-113.351.5000107.7V285V285-H287 PolarHBondContact O-N 2.94Å
288Q27.2Very low29.2Very low188 Ų188146.6 Ų146.688%0.87979%0.791SS**  trans-72.7119.2161.6-70.5174.7-28.800106.2
289D32.9Very low29.3Very low152 Ų152145.1 Ų145.181%0.81379%0.793SS**  trans-146132150.7-89.9-36.8000108.9
290N25.3Very low29.6Very low158 Ų158147.6 Ų147.685%0.84579%0.794SS**  trans-109.3105.8-162.2-175.123.1000107.4
291V33.1Very low29.7Very low139 Ų139147.8 Ų147.884%0.84280%0.798SS**  trans-145.2113.1165-167.80000108.7
292G24.1Very low29.9Very low65 Ų65147.1 Ų147.167%0.6779%0.794SS**  trans-70.9146.8176.200000112.5
293M29.5Very low30.2Very low152 Ų152146.7 Ų146.775%0.74979%0.793SS**  trans-142.7110.2144.8-78.5-140.2104.700108.7F295M293-F295 HydrophobicContact CB-CD2 3.98Å; M293-F295 HydrophobicContact CB-CE2 3.74Å; M293-F295 HydrophobicContact CG-CE2 4.4Å; M293-F295 PolarHBondContact O-N 3.08Å; M293-F295 HydrophobicContact SD-CE2 3.88Å; M293-F295 HydrophobicContact SD-CZ 4.06Å
294S29.4Very low30.4Very low127 Ų127149.3 Ų149.389%0.88880%0.797SS**  trans-73.6102.7167.1178.90000107.9G296S294-G296 PolarHBondContact O-N 3.01Å
295F32.5Very low30.7Very low153 Ų153140.4 Ų140.467%0.67178%0.783SS**  trans-9294168.9-83.6-83.9000108.9M293 F297M293-F295 HydrophobicContact CB-CD2 3.98Å; M293-F295 HydrophobicContact CB-CE2 3.74Å; M293-F295 HydrophobicContact CG-CE2 4.4Å; M293-F295 PolarHBondContact O-N 3.08Å; M293-F295 HydrophobicContact SD-CE2 3.88Å; M293-F295 HydrophobicContact SD-CZ 4.06Å; F295-F297 PolarHBondContact O-N 3.31Å
296G28.9Very low30.8Very low67 Ų67140.8 Ų140.869%0.69179%0.786SS**  trans-70.1114.9164.700000109.7S294S294-G296 PolarHBondContact O-N 3.01Å
297F26.7Very low31.2Very low191 Ų191148 Ų14884%0.83880%0.795SS**  trans-79.9124.4171-83.4-88.7000109.9F295F295-F297 PolarHBondContact O-N 3.31Å
298P33Very low31.5Very low110 Ų110145.2 Ų145.271%0.71479%0.792SS**  trans-73.7127.5176-10.626.3000110.9M300P298-M300 PolarHBondContact O-N 3.36Å; P298-M300 VanDerWaalsContact O-N 3.16Å
299V31.3Very low31.8Very low130 Ų130142.2 Ų142.279%0.78879%0.792SS**  trans-73.698.1169.1177.20000108M301V299-M301 PolarHBondContact O-N 3.43Å
300M34.2Very low31.9Very low162 Ų162141 Ų14180%0.79879%0.79SS**  trans-83.397.4171.9-69-80.2-83.300108.7P298 Q302P298-M300 PolarHBondContact O-N 3.36Å; P298-M300 VanDerWaalsContact O-N 3.16Å; M300-Q302 PolarHBondContact O-N 3.46Å
301M33.8Very low32.2Very low169 Ų169141.7 Ų141.783%0.83379%0.788SS**  trans-66.6109.7163.9-72.1-90-168.800107.7V299V299-M301 PolarHBondContact O-N 3.43Å
302Q33.3Very low32.4Very low170 Ų170140.3 Ų140.379%0.79478%0.781SS**  trans-90.2110.6171.8-81.7-179.4-2000108.9M300M300-Q302 PolarHBondContact O-N 3.46Å
303D35.1Very low32.7Very low158 Ų158147 Ų14785%0.84579%0.792SS**  trans-65.9130.4172.2-74.5-37000110.9G305D303-G305 PolarHBondContact O-N 3.22Å; D303-G305 VanDerWaalsContact O-N 3.16Å
304Y34Very low32.7Very low229 Ų229149.1 Ų149.190%0.89880%0.798SS**  trans-70.3104.3178.7-64.4-89.6000110.1T306Y304-T306 PolarHBondContact O-N 2.96Å
305G33.1Very low32.9Very low64 Ų64148.5 Ų148.566%0.6679%0.793SS**PPolyproline II helixtrans-71.7120.6171.100000111.9D303 Y307D303-G305 PolarHBondContact O-N 3.22Å; D303-G305 VanDerWaalsContact O-N 3.16Å; G305-Y307 PolarHBondContact O-N 2.94Å
306T34.2Very low32.9Very low139 Ų139147.5 Ų147.585%0.85380%0.799SS**PPolyproline II helixtrans-59.2120.5173.6-55.90000111.3Y304Y304-T306 PolarHBondContact O-N 2.96Å
307Y32.5Very low32.9Very low216 Ų216152.6 Ų152.685%0.84781%0.81SS**PPolyproline II helixtrans-69.2130.7175.4-85.9-96.3000111.3G305 S309G305-Y307 PolarHBondContact O-N 2.94Å; Y307-S309 PolarHBondContact O-N 2.76Å
308P37.2Very low33.4Very low111 Ų111152.3 Ų152.372%0.72181%0.811SS**PPolyproline II helixtrans-74.9122.5174.123.3-21.2000110.5V310P308-V310 PolarHBondContact O-N 2.92Å
309S33.1Very low33.6Very low124 Ų124155.1 Ų155.187%0.86782%0.82SS**  trans-70107.9168-77.50000109.1Y307Y307-S309 PolarHBondContact O-N 2.76Å
310V36.5Very low33.7Very low127 Ų127153 Ų15377%0.7783%0.825SS**  trans-97.9106.8168.8-178.50000107.2P308P308-V310 PolarHBondContact O-N 2.92Å
311E31.4Very low33.7Very low173 Ų173148.9 Ų148.981%0.80882%0.823SS**PPolyproline II helixtrans-63.7132.3170.6-74.9-176.1158.600110.1K313E311-K313 PolarHBondContact O-N 3.12Å
312P35.9Very low33.7Very low109 Ų109150.3 Ų150.371%0.70883%0.828SS**PPolyproline II helixtrans-73.4116.1179.924.8-26.4000110.5F314P312-F314 PolarHBondContact O-N 3.24Å
313K32Very low33.7Very low207 Ų207151.4 Ų151.490%0.984%0.835SS**PPolyproline II helixtrans-65.5118.6166.6-89.6179.5174.6176.20109.6E311 S315E311-K313 PolarHBondContact O-N 3.12Å; K313-S315 PolarHBondContact O-N 3.04Å
314F29.1Very low33.9Very low196 Ų196148.3 Ų148.386%0.8683%0.832SS**  trans-68.1114.5167.8-78.4-98.3000109.7P312P312-F314 PolarHBondContact O-N 3.24Å
315S33.7Very low34.1Very low113 Ų113143 Ų14379%0.7983%0.828SS**  trans-83.1115.6164.151.20000108.8K313K313-S315 PolarHBondContact O-N 3.04Å
316V31.2Very low34.4Very low132 Ų132145.4 Ų145.480%0.884%0.835SS**PPolyproline II helixtrans-64.7135.1172.1176.70000108.8E318V316-E318 PolarHBondContact O-N 3.42Å
317L29.5Very low34.9Very low174 Ų174144.9 Ų144.991%0.91183%0.831SS**PPolyproline II helixtrans-65.7118.1179.3-76.4140.2000110.5
318E36.8Very low35.3Very low186 Ų186140.1 Ų140.187%0.86983%0.827SS**PPolyproline II helixtrans-103.3125.5161.2-73.6-174.8167.600109.1V316V316-E318 PolarHBondContact O-N 3.42Å
319D38.6Very low35.6Very low168 Ų168146.3 Ų146.390%0.89884%0.836SS**  trans14.7127.1163.6-79.9-30.5000122
320G33.1Very low36.1Very low86 Ų86150.1 Ų150.189%0.88784%0.837SS**  68.672.1123.800000118
321G33.9Very low36.7Very low75 Ų75153 Ų15377%0.77384%0.842SS**  trans-139.3126.1166.400000111.7
322E33.6Very low37.5Very low200 Ų200154.5 Ų154.594%0.93585%0.846SS**  trans-54.2144.5-168.6-65.4175.5150.300115.5A324E322-A324 PolarHBondContact O-N 2.77Å
323M32.9Very low38.2Very low192 Ų192160.9 Ų160.995%0.94686%0.856SS**  trans-65.398.5-177.4-68.8-131-70.700112.6S325M323-S325 PolarHBondContact O-N 3.38Å
324A39.3Very low39.1Very low94 Ų94160.5 Ų160.578%0.77785%0.854SS**  trans-70.7121.1161.700000109.6E322 S326E322-A324 PolarHBondContact O-N 2.77Å; A324-S326 PolarHBondContact O-N 2.93Å
325S38.6Very low40.3Very low117 Ų117162.8 Ų162.882%0.81886%0.857SS**  trans-59.2101.717963.80000110.9M323 V327M323-S325 PolarHBondContact O-N 3.38Å; S325-V327 PolarHBondContact O-N 3.39Å
326S39.8Very low41.3Very low115 Ų115167.1 Ų167.180%0.80486%0.862SS**PPolyproline II helixtrans-69.1121.917862.80000110.5A324A324-S326 PolarHBondContact O-N 2.93Å
327V43.6Very low42.8Very low127 Ų127166.2 Ų166.277%0.7786%0.861SS**PPolyproline II helixtrans-51.8137.9175.61780000110.9S325 R329S325-V327 PolarHBondContact O-N 3.39Å; V327-R329 PolarHBondContact O-N 2.98Å; V327-R329 VanDerWaalsContact O-N 3.11Å
328P41.2Very low44.7Very low116 Ų116162 Ų16275%0.75384%0.836SS**PPolyproline II helixtrans-60.1118-175-19.530.2000111.6K330P328-K330 PolarHBondContact O-N 2.99Å
329R43.9Very low46.4Very low241 Ų241156.5 Ų156.591%0.90982%0.818SS**  trans-56.3112.3169.1-94178.9169.7173-1.4108.7V327 Q331V327-R329 PolarHBondContact O-N 2.98Å; V327-R329 VanDerWaalsContact O-N 3.11Å; R329-Q331 PolarHBondContact O-N 3.24Å
330K44.6Very low47.4Very low205 Ų205153.1 Ų153.189%0.89180%0.799SS**  trans-50.4112.9171-77.5-179.2177.2174.50108.8P328 K332P328-K330 PolarHBondContact O-N 2.99Å; K330-K332 PolarHBondContact O-N 3Å; K330-K332 VanDerWaalsContact O-N 3.1Å
331Q49.1Very low48.9Very low186 Ų186154.8 Ų154.887%0.86978%0.784SS**  trans-55.1119.3174.6-76.5179.6-18.700108.7R329 R333R329-Q331 PolarHBondContact O-N 3.24Å; Q331-R333 PolarHBondContact O-N 3.48Å
332K47.6Very low50.8Low205 Ų205153 Ų15389%0.89176%0.761SS**  trans-57.1105.4171.4-86.3-179.8174175.50107.5K330 K334K330-K332 PolarHBondContact O-N 3Å; K330-K332 VanDerWaalsContact O-N 3.1Å; K332-K334 PolarHBondContact O-N 3.09Å
333R50.6Low52.5Low243 Ų243144.6 Ų144.692%0.91772%0.723SS**  trans-53.7107.4173.5-82.4177.5152-179.3-6108.3Q331 R335Q331-R333 PolarHBondContact O-N 3.48Å; R333-R335 PolarHBondContact O-N 3.13Å
334K51.3Low54.1Low200 Ų200136.4 Ų136.487%0.8768%0.682SS**  trans-57114.1166.7-83-178174177.80106.8K332 K336K332-K334 PolarHBondContact O-N 3.09Å; K334-K336 PolarHBondContact O-N 3.06Å
335R53.1Low55.7Low244 Ų244134 Ų13492%0.92166%0.661SS**PPolyproline II helixtrans-53.8117171.8-85.5178153.3169.3-5.6107R333 S337R333-R335 PolarHBondContact O-N 3.13Å; R335-S337 PolarHBondContact O-N 3.11Å
336K55.3Low57.5Low203 Ų203132.1 Ų132.188%0.88364%0.64SS**PPolyproline II helixtrans-56.3132.9172.8-74.1-174.9176.1-177.50107.7K334 K338K334-K336 PolarHBondContact O-N 3.06Å; K336-K338 PolarHBondContact O-N 3.25Å
337S63.4Low59Low114 Ų114126.8 Ų126.880%0.79760%0.602SS**PPolyproline II helixtrans-55138.5168.150.30000108.7R335R335-S337 PolarHBondContact O-N 3.11Å
338K68.1Low60.1Low85 Ų85125 Ų12537%0.3758%0.584SS.*PPolyproline II helixtrans-58.1144.6173.2-75.2-174.1-178.2-177.90108.9K336 A342 M343 E346 Y362K336-K338 PolarHBondContact O-N 3.25Å; K338-A342 HydrophobicContact CB-CB 4.49Å; K338-M343 HydrophobicContact CB-CG 3.59Å; K338-M343 HydrophobicContact CB-SD 4.22Å; K338-M343 HydrophobicContact CD-CG 4.38Å; K338-E346 IonicContact NZ-OE1 3.19Å; K338-E346 PolarHBondContact NZ-OE1 3.05Å; K338-E346 IonicContact NZ-OE2 2.64Å; K338-E346 PolarHBondContact NZ-OE2 3.36Å; K338-Y362 HydrophobicContact CD-CE1 3.93Å; K338-Y362 PolarHBondContact NZ-OH 3.03Å
339S72Confident61.7Low71 Ų71128.1 Ų128.150%0.49759%0.586SS.*PPolyproline II helixtrans-64.5152.3171.663.30000109.9E341 A342 M343S339-E341 PolarHBondContact O-N 2.95Å; S339-A342 PolarHBondContact O-N 3.37Å; S339-A342 WeakPolarHBondContact OG-CB 3.44Å; S339-A342 PolarHBondContact OG-N 2.71Å; S339-M343 WeakPolarHBondContact O-CG 3.34Å; S339-M343 PolarHBondContact O-N 3.4Å
340L59.7Low63Low97 Ų97117.6 Ų117.651%0.50855%0.55SS.*Hα-helixtrans-51.6-43.2175-161.985000110.9A342 M343 Y344 F363L340-A342 PolarHBondContact O-N 3.16Å; L340-M343 HydrophobicContact CD1-CE 4.16Å; L340-M343 PolarHBondContact O-N 3.41Å; L340-Y344 HydrophobicContact CD1-CE2 4.37Å; L340-Y344 HydrophobicContact CD2-CD2 4.3Å; L340-Y344 HydrophobicContact CD2-CE2 3.48Å; L340-Y344 VanDerWaalsContact CD2-CE2 3.48Å; L340-Y344 HydrophobicContact CG-CD2 3.96Å; L340-Y344 HydrophobicContact CG-CE2 3.46Å; L340-Y344 VanDerWaalsContact CG-CE2 3.46Å; L340-Y344 WeakPolarHBondContact O-CD2 3.26Å; L340-Y344 PolarHBondContact O-N 3.18Å; L340-F363 HydrophobicContact CD1-CE1 4.15Å
341E64.4Low64.2Low120 Ų120115.1 Ų115.156%0.56154%0.539SS*.Hα-helixtrans-61.2-42.4176.8-161.764.6-158.200113S339 Y344 A345S339-E341 PolarHBondContact O-N 2.95Å; E341-Y344 PolarHBondContact O-N 3.47Å; E341-A345 WeakPolarHBondContact O-CB 3.38Å; E341-A345 PolarHBondContact O-N 3.36Å
342A73.9Confident64.7Low37 Ų37111.8 Ų111.831%0.30652%0.522SS..Hα-helixtrans-69.9-37.817800000112.1K338 S339 L340 Y344 A345 E346K338-A342 HydrophobicContact CB-CB 4.49Å; S339-A342 PolarHBondContact O-N 3.37Å; S339-A342 WeakPolarHBondContact OG-CB 3.44Å; S339-A342 PolarHBondContact OG-N 2.71Å; L340-A342 PolarHBondContact O-N 3.16Å; A342-Y344 VanDerWaalsContact C-N 3.31Å; A342-A345 PolarHBondContact O-N 2.84Å; A342-E346 PolarHBondContact O-N 3.35Å; A342-E346 VanDerWaalsContact O-N 3.13Å
343M69.6Low65.3Low25 Ų25107.8 Ų107.812%0.12351%0.507CS..Hα-helixtrans-62.3-42.2173.5-65.9-172.6-62.800110.5K338 S339 L340 E346 L347 Y362K338-M343 HydrophobicContact CB-CG 3.59Å; K338-M343 HydrophobicContact CB-SD 4.22Å; K338-M343 HydrophobicContact CD-CG 4.38Å; S339-M343 WeakPolarHBondContact O-CG 3.34Å; S339-M343 PolarHBondContact O-N 3.4Å; L340-M343 HydrophobicContact CD1-CE 4.16Å; L340-M343 PolarHBondContact O-N 3.41Å; M343-E346 PolarHBondContact O-N 2.77Å; M343-L347 WeakPolarHBondContact O-CB 3.45Å; M343-L347 VanDerWaalsContact O-CG 3.26Å; M343-L347 WeakPolarHBondContact O-CG 3.5Å; M343-L347 PolarHBondContact O-N 3.24Å; M343-Y362 HydrophobicContact CB-CD1 4.3Å; M343-Y362 HydrophobicContact CB-CD2 3.72Å; M343-Y362 HydrophobicContact CB-CE2 4.26Å; M343-Y362 HydrophobicContact CB-CG 3.78Å; M343-Y362 HydrophobicContact CG-CD1 3.65Å; M343-Y362 HydrophobicContact CG-CD2 4.01Å; M343-Y362 HydrophobicContact CG-CE1 4.16Å; M343-Y362 HydrophobicContact CG-CE2 4.44Å; M343-Y362 HydrophobicContact CG-CG 3.62Å; M343-Y362 WeakPolarHBondContact SD-CB 2.97Å; M343-Y362 HydrophobicContact SD-CD1 3.6Å; M343-Y362 HydrophobicContact SD-CG 3.64Å
344Y67.1Low66.3Low20 Ų2099.6 Ų99.68%0.07848%0.481CS..Hα-helixtrans-64.7-43.1173.9-75.4-52.4000113.6E53 V57 W87 L340 E341 A342 E346 L347 K348 F363E53-Y344 HydrophobicContact CB-CE1 4.28Å; E53-Y344 HydrophobicContact CB-CE2 4.33Å; E53-Y344 PolarHBondContact O-OH 2.86Å; V57-Y344 HydrophobicContact CG2-CE1 3.32Å; V57-Y344 VanDerWaalsContact CG2-CZ 3.5Å; V57-Y344 WeakPolarHBondContact CG2-OH 3.43Å; W87-Y344 AromaticContact CH2-CD1 3.55Å; W87-Y344 HydrophobicContact CH2-CD1 3.55Å; W87-Y344 HydrophobicContact CH2-CE1 4.22Å; W87-Y344 HydrophobicContact CH2-CG 4.37Å; W87-Y344 AromaticContact CZ2-CD1 3.78Å; W87-Y344 HydrophobicContact CZ2-CD1 3.78Å; W87-Y344 HydrophobicContact CZ2-CE1 4.23Å; W87-Y344 HydrophobicContact CZ2-CG 4.46Å; L340-Y344 HydrophobicContact CD1-CE2 4.37Å; L340-Y344 HydrophobicContact CD2-CD2 4.3Å; L340-Y344 HydrophobicContact CD2-CE2 3.48Å; L340-Y344 VanDerWaalsContact CD2-CE2 3.48Å; L340-Y344 HydrophobicContact CG-CD2 3.96Å; L340-Y344 HydrophobicContact CG-CE2 3.46Å; L340-Y344 VanDerWaalsContact CG-CE2 3.46Å; L340-Y344 WeakPolarHBondContact O-CD2 3.26Å; L340-Y344 PolarHBondContact O-N 3.18Å; E341-Y344 PolarHBondContact O-N 3.47Å; A342-Y344 VanDerWaalsContact C-N 3.31Å; Y344-E346 VanDerWaalsContact C-N 3.26Å; Y344-E346 PolarHBondContact O-N 3.32Å; Y344-L347 HydrophobicContact CD1-CD1 4.44Å; Y344-L347 PolarHBondContact O-N 3.25Å; Y344-K348 WeakPolarHBondContact O-CB 3.43Å; Y344-K348 VanDerWaalsContact O-CG 3.32Å; Y344-K348 WeakPolarHBondContact O-CG 3.23Å; Y344-K348 PolarHBondContact O-N 2.92Å; Y344-F363 HydrophobicContact CE1-CZ 4.32Å
345A72.6Confident67.1Low43 Ų4391.4 Ų91.436%0.35545%0.447SS..Hα-helixtrans-60.4-37.9178.900000111.9E341 A342 K349E341-A345 WeakPolarHBondContact O-CB 3.38Å; E341-A345 PolarHBondContact O-N 3.36Å; A342-A345 PolarHBondContact O-N 2.84Å; A345-K349 WeakPolarHBondContact O-CG 3.4Å; A345-K349 PolarHBondContact O-N 3.13Å
346E76.5Confident67.7Low77 Ų7781.7 Ų81.736%0.3641%0.412SS..Hα-helixtrans-73.6-40.7173.9-77.6-171-157.600112.9K338 A342 M343 Y344 K348 K349 A350 Y362K338-E346 IonicContact NZ-OE1 3.19Å; K338-E346 PolarHBondContact NZ-OE1 3.05Å; K338-E346 IonicContact NZ-OE2 2.64Å; K338-E346 PolarHBondContact NZ-OE2 3.36Å; A342-E346 PolarHBondContact O-N 3.35Å; A342-E346 VanDerWaalsContact O-N 3.13Å; M343-E346 PolarHBondContact O-N 2.77Å; Y344-E346 VanDerWaalsContact C-N 3.26Å; Y344-E346 PolarHBondContact O-N 3.32Å; E346-K348 PolarHBondContact O-N 3.33Å; E346-K349 PolarHBondContact O-N 3.17Å; E346-K349 VanDerWaalsContact O-N 3.1Å; E346-A350 WeakPolarHBondContact O-CB 3.49Å; E346-A350 PolarHBondContact O-N 3.03Å; E346-Y362 HydrophobicContact CB-CE2 4.25Å; E346-Y362 PolarHBondContact OE2-OH 3.1Å
347L71.2Confident68.5Low3 Ų378.5 Ų78.52%0.01640%0.4CS..Hα-helixtrans-58.5-37.4173.7-77.2168.5000112.4W87 M343 Y344 I355 L358 R359 Y362 F363W87-L347 HydrophobicContact CH2-CB 4.25Å; W87-L347 HydrophobicContact CZ3-CB 4.02Å; M343-L347 WeakPolarHBondContact O-CB 3.45Å; M343-L347 VanDerWaalsContact O-CG 3.26Å; M343-L347 WeakPolarHBondContact O-CG 3.5Å; M343-L347 PolarHBondContact O-N 3.24Å; Y344-L347 HydrophobicContact CD1-CD1 4.44Å; Y344-L347 PolarHBondContact O-N 3.25Å; L347-I355 HydrophobicContact CD2-CG2 4.42Å; L347-L358 HydrophobicContact CD2-CB 3.51Å; L347-L358 HydrophobicContact CD2-CD1 4.44Å; L347-L358 HydrophobicContact CG-CB 4.39Å; L347-R359 HydrophobicContact CD1-CG 4.33Å; L347-R359 HydrophobicContact CD2-CB 4.44Å; L347-R359 HydrophobicContact CD2-CG 3.53Å; L347-Y362 HydrophobicContact CD1-CD2 4.2Å; L347-Y362 HydrophobicContact CD2-CD2 4.5Å; L347-Y362 HydrophobicContact CG-CD2 4.06Å; L347-Y362 HydrophobicContact CG-CE2 4.44Å; L347-F363 HydrophobicContact CD1-CE2 3.58Å; L347-F363 HydrophobicContact CD1-CZ 4.09Å
348K67.5Low68.9Low89 Ų8974.5 Ų74.539%0.38737%0.369SS..Hα-helixtrans-67.9-33.9175.2-76.2-177.4178-170.10113.2W87 Y344 E346W87-K348 HydrophobicContact CD2-CG 4.45Å; W87-K348 HydrophobicContact CE3-CG 4.23Å; W87-K348 HydrophobicContact CH2-CD 4.47Å; W87-K348 HydrophobicContact CH2-CG 3.67Å; W87-K348 HydrophobicContact CZ2-CD 4.36Å; W87-K348 VanDerWaalsContact CZ2-CE 3.45Å; W87-K348 HydrophobicContact CZ2-CG 3.99Å; W87-K348 HydrophobicContact CZ3-CG 3.84Å; Y344-K348 WeakPolarHBondContact O-CB 3.43Å; Y344-K348 VanDerWaalsContact O-CG 3.32Å; Y344-K348 WeakPolarHBondContact O-CG 3.23Å; Y344-K348 PolarHBondContact O-N 2.92Å; E346-K348 PolarHBondContact O-N 3.33Å
349K74.8Confident68.9Low182 Ų18271.3 Ų71.379%0.79136%0.355SS*.Hα-helixtrans-85.8-13.9179.6-70.7177.4-178.1-175.10113.2A345 E346A345-K349 WeakPolarHBondContact O-CG 3.4Å; A345-K349 PolarHBondContact O-N 3.13Å; E346-K349 PolarHBondContact O-N 3.17Å; E346-K349 VanDerWaalsContact O-N 3.1Å
350A71.1Confident68.8Low20 Ų2073.4 Ų73.417%0.16535%0.352CS..SBendtrans-72.7138.6-173.900000111.5E346 N354 I355 L358E346-A350 WeakPolarHBondContact O-CB 3.49Å; E346-A350 PolarHBondContact O-N 3.03Å; A350-N354 HydrophobicContact CB-CB 4.44Å; A350-I355 HydrophobicContact CB-CG1 3.82Å; A350-L358 HydrophobicContact CB-CD1 3.41Å; A350-L358 VanDerWaalsContact CB-CD1 3.41Å
351K69.5Low69.4Low153 Ų15375.8 Ų75.867%0.66536%0.358SS*.  trans-59.8149.2169-66.9-173.3177.5-175.80109.8H353 N354 I355K351-H353 WeakPolarHBondContact CB-NE2 3.46Å; K351-H353 WeakPolarHBondContact CD-NE2 3.42Å; K351-H353 PolarHBondContact O-N 2.96Å; K351-N354 PolarHBondContact O-N 2.48Å; K351-I355 PolarHBondContact O-N 2.91Å; K351-I355 VanDerWaalsContact O-N 3.17Å
352F59.1Low69.8Low116 Ų11671.3 Ų71.351%0.50934%0.336SS..Hα-helixtrans-46-38.4-175.7-177.5-103.5000114.6R65 M127R65-F352 VanDerWaalsContact CZ-CZ 3.49Å; R65-F352 VanDerWaalsContact NH1-CE2 3.29Å; M127-F352 HydrophobicContact SD-CZ 4.43Å
353H61.2Low69.4Low122 Ų12270.9 Ų70.957%0.56533%0.328SS*.Hα-helixtrans-74.8-27.7178.956.978000114.1K351K351-H353 WeakPolarHBondContact CB-NE2 3.46Å; K351-H353 WeakPolarHBondContact CD-NE2 3.42Å; K351-H353 PolarHBondContact O-N 2.96Å
354N70.7Confident69.1Low70 Ų7078.4 Ų78.437%0.37436%0.36SS..Hα-helixtrans-90.6-14.9179.2-8015000113.3A350 K351 H356 E357 L358A350-N354 HydrophobicContact CB-CB 4.44Å; K351-N354 PolarHBondContact O-N 2.48Å; N354-H356 PolarHBondContact O-N 3.35Å; N354-E357 PolarHBondContact O-N 3Å; N354-L358 WeakPolarHBondContact O-CB 3.31Å; N354-L358 WeakPolarHBondContact O-CG 3.5Å; N354-L358 PolarHBondContact O-N 3.03Å
355I68Low68.2Low29 Ų2978.7 Ų78.715%0.14936%0.362CS..Hα-helixtrans-55.8-42.9179.3-71.2174.2000110.2L347 A350 K351 L358 R359L347-I355 HydrophobicContact CD2-CG2 4.42Å; A350-I355 HydrophobicContact CB-CG1 3.82Å; K351-I355 PolarHBondContact O-N 2.91Å; K351-I355 VanDerWaalsContact O-N 3.17Å; I355-L358 PolarHBondContact O-N 3.47Å; I355-R359 HydrophobicContact CG2-CG 4.29Å; I355-R359 WeakPolarHBondContact O-CB 3.06Å; I355-R359 WeakPolarHBondContact O-CD 3.33Å; I355-R359 WeakPolarHBondContact O-CG 3.34Å; I355-R359 PolarHBondContact O-N 2.64Å
356H65Low66.9Low40 Ų4086.7 Ų86.719%0.18540%0.399CS..Hα-helixtrans-67.8-43.6-177.8-160.760.1000112.9D63 N354 L358 R359 R360D63-H356 IonicContact OD1-CE1 3.74Å; D63-H356 IonicContact OD1-NE2 2.74Å; N354-H356 PolarHBondContact O-N 3.35Å; H356-L358 PolarHBondContact O-N 3.06Å; H356-R359 WeakPolarHBondContact O-CB 3.45Å; H356-R359 PolarHBondContact O-N 3.05Å; H356-R360 PolarHBondContact NE2-NE 2.9Å; H356-R360 PolarHBondContact NE2-NH2 3.1Å; H356-R360 PolarHBondContact O-N 2.94Å
357E72.1Confident66.4Low135 Ų13587.2 Ų87.263%0.63140%0.401SS*.Hα-helixtrans-62.4-43.4175.4-68.5-173.3167.400112.2N354 R359 R360 K361N354-E357 PolarHBondContact O-N 3Å; E357-R359 VanDerWaalsContact C-N 3.28Å; E357-R359 PolarHBondContact O-N 3.11Å; E357-R360 PolarHBondContact O-N 2.93Å; E357-K361 VanDerWaalsContact O-CB 3.28Å; E357-K361 WeakPolarHBondContact O-CB 3.24Å; E357-K361 PolarHBondContact O-N 3.02Å
358L72.5Confident66.1Low31 Ų3191.6 Ų91.616%0.16242%0.421CS..Hα-helixtrans-63.7-36.8175.8-72.8-176.9000111.7L347 A350 N354 I355 H356 K361 Y362L347-L358 HydrophobicContact CD2-CB 3.51Å; L347-L358 HydrophobicContact CD2-CD1 4.44Å; L347-L358 HydrophobicContact CG-CB 4.39Å; A350-L358 HydrophobicContact CB-CD1 3.41Å; A350-L358 VanDerWaalsContact CB-CD1 3.41Å; N354-L358 WeakPolarHBondContact O-CB 3.31Å; N354-L358 WeakPolarHBondContact O-CG 3.5Å; N354-L358 PolarHBondContact O-N 3.03Å; I355-L358 PolarHBondContact O-N 3.47Å; H356-L358 PolarHBondContact O-N 3.06Å; L358-K361 HydrophobicContact CD2-CD 4.5Å; L358-K361 PolarHBondContact O-N 3.12Å; L358-Y362 HydrophobicContact CB-CD2 4.2Å; L358-Y362 HydrophobicContact CB-CE2 3.98Å; L358-Y362 HydrophobicContact CD1-CE2 4.47Å; L358-Y362 HydrophobicContact CD2-CE2 3.93Å; L358-Y362 HydrophobicContact CG-CE2 4.36Å; L358-Y362 VanDerWaalsContact O-CB 3.27Å; L358-Y362 WeakPolarHBondContact O-CB 3.32Å; L358-Y362 WeakPolarHBondContact O-CD2 3.43Å; L358-Y362 VanDerWaalsContact O-CG 3.22Å; L358-Y362 PolarHBondContact O-N 3Å
359R68Low66.1Low17 Ų1791.7 Ų91.76%0.06442%0.423CS..Hα-helixtrans-63.2-49.2176.1-78.5170.4173.9-166.66.2111.3T60 L347 I355 H356 E357 K361 Y362 F363T60-R359 HydrophobicContact CG2-CB 3.36Å; T60-R359 HydrophobicContact CG2-CG 3.35Å; T60-R359 VanDerWaalsContact OG1-CD 3.27Å; T60-R359 WeakPolarHBondContact OG1-CD 3.45Å; T60-R359 PolarHBondContact OG1-NE 3.25Å; T60-R359 PolarHBondContact OG1-NH1 3.16Å; L347-R359 HydrophobicContact CD1-CG 4.33Å; L347-R359 HydrophobicContact CD2-CB 4.44Å; L347-R359 HydrophobicContact CD2-CG 3.53Å; I355-R359 HydrophobicContact CG2-CG 4.29Å; I355-R359 WeakPolarHBondContact O-CB 3.06Å; I355-R359 WeakPolarHBondContact O-CD 3.33Å; I355-R359 WeakPolarHBondContact O-CG 3.34Å; I355-R359 PolarHBondContact O-N 2.64Å; H356-R359 WeakPolarHBondContact O-CB 3.45Å; H356-R359 PolarHBondContact O-N 3.05Å; E357-R359 VanDerWaalsContact C-N 3.28Å; E357-R359 PolarHBondContact O-N 3.11Å; R359-K361 VanDerWaalsContact C-N 3.33Å; R359-K361 PolarHBondContact O-N 3.33Å; R359-Y362 PolarHBondContact O-N 3.2Å; R359-F363 HydrophobicContact CB-CD2 4.48Å; R359-F363 WeakPolarHBondContact O-CB 3.32Å; R359-F363 WeakPolarHBondContact O-CD2 3.23Å; R359-F363 PolarHBondContact O-N 2.93Å
360R69.4Low65.6Low115 Ų11586.4 Ų86.443%0.43440%0.402SS..Hα-helixtrans-57.9-46.4174.9-67.3-168.6173179.6-4.5111.7D63 H356 E357 Y362 K364 L365D63-R360 IonicContact OD1-CZ 3.07Å; D63-R360 IonicContact OD1-NE 2.81Å; D63-R360 PolarHBondContact OD1-NE 3.06Å; D63-R360 IonicContact OD1-NH2 2.71Å; D63-R360 PolarHBondContact OD1-NH2 3.33Å; H356-R360 PolarHBondContact NE2-NE 2.9Å; H356-R360 PolarHBondContact NE2-NH2 3.1Å; H356-R360 PolarHBondContact O-N 2.94Å; E357-R360 PolarHBondContact O-N 2.93Å; R360-Y362 PolarHBondContact O-N 2.69Å; R360-K364 WeakPolarHBondContact O-CA 3.29Å; R360-K364 PolarHBondContact O-N 3.31Å; R360-L365 HydrophobicContact CB-CB 4.41Å; R360-L365 HydrophobicContact CG-CB 4.12Å; R360-L365 HydrophobicContact CG-CD1 4.5Å; R360-L365 PolarHBondContact O-N 3.38Å
361K74Confident65.2Low148 Ų14890.6 Ų90.664%0.64342%0.416SS*.Hα-helixtrans-60.7-40.2178.1-177.9-179.4-178.3176.70113.6E357 L358 R359E357-K361 VanDerWaalsContact O-CB 3.28Å; E357-K361 WeakPolarHBondContact O-CB 3.24Å; E357-K361 PolarHBondContact O-N 3.02Å; L358-K361 HydrophobicContact CD2-CD 4.5Å; L358-K361 PolarHBondContact O-N 3.12Å; R359-K361 VanDerWaalsContact C-N 3.33Å; R359-K361 PolarHBondContact O-N 3.33Å
362Y71.7Confident64.9Low25 Ų2586.4 Ų86.410%0.09840%0.4CS..Hα-helixtrans-87.2-33.2-174.3-69.5-29.8000114.1K338 M343 E346 L347 L358 R359 R360K338-Y362 HydrophobicContact CD-CE1 3.93Å; K338-Y362 PolarHBondContact NZ-OH 3.03Å; M343-Y362 HydrophobicContact CB-CD1 4.3Å; M343-Y362 HydrophobicContact CB-CD2 3.72Å; M343-Y362 HydrophobicContact CB-CE2 4.26Å; M343-Y362 HydrophobicContact CB-CG 3.78Å; M343-Y362 HydrophobicContact CG-CD1 3.65Å; M343-Y362 HydrophobicContact CG-CD2 4.01Å; M343-Y362 HydrophobicContact CG-CE1 4.16Å; M343-Y362 HydrophobicContact CG-CE2 4.44Å; M343-Y362 HydrophobicContact CG-CG 3.62Å; M343-Y362 WeakPolarHBondContact SD-CB 2.97Å; M343-Y362 HydrophobicContact SD-CD1 3.6Å; M343-Y362 HydrophobicContact SD-CG 3.64Å; E346-Y362 HydrophobicContact CB-CE2 4.25Å; E346-Y362 PolarHBondContact OE2-OH 3.1Å; L347-Y362 HydrophobicContact CD1-CD2 4.2Å; L347-Y362 HydrophobicContact CD2-CD2 4.5Å; L347-Y362 HydrophobicContact CG-CD2 4.06Å; L347-Y362 HydrophobicContact CG-CE2 4.44Å; L358-Y362 HydrophobicContact CB-CD2 4.2Å; L358-Y362 HydrophobicContact CB-CE2 3.98Å; L358-Y362 HydrophobicContact CD1-CE2 4.47Å; L358-Y362 HydrophobicContact CD2-CE2 3.93Å; L358-Y362 HydrophobicContact CG-CE2 4.36Å; L358-Y362 VanDerWaalsContact O-CB 3.27Å; L358-Y362 WeakPolarHBondContact O-CB 3.32Å; L358-Y362 WeakPolarHBondContact O-CD2 3.43Å; L358-Y362 VanDerWaalsContact O-CG 3.22Å; L358-Y362 PolarHBondContact O-N 3Å; R359-Y362 PolarHBondContact O-N 3.2Å; R360-Y362 PolarHBondContact O-N 2.69Å
363F65.6Low65.3Low29 Ų2984.3 Ų84.313%0.12739%0.392CS..Hα-helixtrans-106.57.6-175.2-58.4-67.2000113.7V57 T60 Q61 L340 Y344 L347 R359 L365V57-F363 HydrophobicContact CG1-CD1 4.05Å; V57-F363 HydrophobicContact CG1-CE1 3.9Å; V57-F363 HydrophobicContact CG1-CG 4.46Å; V57-F363 HydrophobicContact CG1-CZ 4.18Å; V57-F363 HydrophobicContact CG2-CE1 3.96Å; V57-F363 HydrophobicContact CG2-CE2 4.03Å; V57-F363 HydrophobicContact CG2-CZ 3.52Å; T60-F363 HydrophobicContact CG2-CD2 4.19Å; Q61-F363 HydrophobicContact CG-CB 4.36Å; L340-F363 HydrophobicContact CD1-CE1 4.15Å; Y344-F363 HydrophobicContact CE1-CZ 4.32Å; L347-F363 HydrophobicContact CD1-CE2 3.58Å; L347-F363 HydrophobicContact CD1-CZ 4.09Å; R359-F363 HydrophobicContact CB-CD2 4.48Å; R359-F363 WeakPolarHBondContact O-CB 3.32Å; R359-F363 WeakPolarHBondContact O-CD2 3.23Å; R359-F363 PolarHBondContact O-N 2.93Å; F363-L365 VanDerWaalsContact C-N 3.33Å; F363-L365 HydrophobicContact CB-CD2 4.46Å; F363-L365 HydrophobicContact CB-CG 4.22Å; F363-L365 PolarHBondContact O-N 3.1Å
364K63.2Low65.7Low182 Ų18281.4 Ų81.479%0.79138%0.379SS*.THydrogen-bonded Turntrans5053.8179.8-60.2-176.9179.8-177.60111.6R360 D366R360-K364 WeakPolarHBondContact O-CA 3.29Å; R360-K364 PolarHBondContact O-N 3.31Å; K364-D366 PolarHBondContact O-N 3.13Å
365L48.7Very low65.2Low26 Ų2682.3 Ų82.314%0.13638%0.379CS..  trans-84.6104.3171.8-53.4173.1000105.6T60 Q61 R360 F363T60-L365 HydrophobicContact CG2-CD1 3.91Å; T60-L365 VanDerWaalsContact O-CD1 3.29Å; T60-L365 WeakPolarHBondContact O-CD1 3.48Å; Q61-L365 VanDerWaalsContact CA-CD2 3.47Å; Q61-L365 HydrophobicContact CB-CD2 3.89Å; Q61-L365 HydrophobicContact CG-CD2 3.95Å; R360-L365 HydrophobicContact CB-CB 4.41Å; R360-L365 HydrophobicContact CG-CB 4.12Å; R360-L365 HydrophobicContact CG-CD1 4.5Å; R360-L365 PolarHBondContact O-N 3.38Å; F363-L365 VanDerWaalsContact C-N 3.33Å; F363-L365 HydrophobicContact CB-CD2 4.46Å; F363-L365 HydrophobicContact CB-CG 4.22Å; F363-L365 PolarHBondContact O-N 3.1Å
366D44.6Very low65Low211 Ų21187.2 Ų87.2100%1.12840%0.4SS*.  trans-64.50177.2-72.7-27.2000111.5K364K364-D366 PolarHBondContact O-N 3.13Å

Retrieved 366 of 366 residues in 147.4 ms (Link to these results)

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