| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 92.1 | Very high | 97.9 | Very high | 149 Ų | 149 | 28.4 Ų | 28.4 | 73% | 0.734 | 13% | 0.128 | S | C | * | . | 0 | 147.9 | 0 | -62 | -178.1 | -65.1 | 0 | 0 | 108.6 | D256 L257 | M1-D256 HydrophobicContact SD-CB 4.43Å; M1-L257 CarbonylContact C-O 3.43Å; M1-L257 WeakPolarHBondContact CA-O 3.25Å | |||
| 2 | L | 96.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 126.4 | 168 | 179.1 | 143.4 | 0 | 0 | 0 | 108 | L4 H36 L37 I144 L146 L257 F259 | L2-L4 HydrophobicContact CD2-CB 4Å; L2-H36 HydrophobicContact CG-CB 4.29Å; L2-L37 HydrophobicContact CD2-CB 4.1Å; L2-L37 HydrophobicContact CD2-CD2 4.28Å; L2-I144 HydrophobicContact CD1-CB 4.44Å; L2-I144 HydrophobicContact CD1-CD1 3.78Å; L2-I144 HydrophobicContact CD1-CG2 4.05Å; L2-L146 HydrophobicContact CB-CD1 3.72Å; L2-L146 HydrophobicContact CD1-CD1 4Å; L2-L146 HydrophobicContact CD1-CD2 4.26Å; L2-L146 HydrophobicContact CG-CD1 4.35Å; L2-L257 HydrophobicContact CB-CB 4.45Å; L2-L257 HydrophobicContact CD2-CD1 3.91Å; L2-L257 HydrophobicContact CD2-CG 4.29Å; L2-L257 PolarHBondContact N-O 2.89Å; L2-L257 WeakPolarHBondContact O-CB 3.5Å; L2-L257 PolarHBondContact O-N 3.07Å; L2-F259 HydrophobicContact CB-CE2 3.66Å; L2-F259 HydrophobicContact CB-CZ 4.41Å |
| 3 | R | 98.1 | Very high | 97.7 | Very high | 81 Ų | 81 | 30.1 Ų | 30.1 | 31% | 0.306 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 116.9 | 172.5 | -172 | 167.7 | -70.7 | 168.9 | -2.6 | 110.4 | H33 P35 H36 L37 D256 | R3-H33 WeakPolarHBondContact CD-O 3.42Å; R3-H33 PolarHBondContact NH1-O 2.95Å; R3-P35 HydrophobicContact CG-CB 4.31Å; R3-H36 PolarHBondContact N-ND1 2.93Å; R3-H36 VanDerWaalsContact N-ND1 3.15Å; R3-H36 PolarHBondContact O-N 3.39Å; R3-L37 PolarHBondContact O-N 3.21Å; R3-D256 VanDerWaalsContact CB-OD1 3.23Å; R3-D256 WeakPolarHBondContact CB-OD1 3.49Å; R3-D256 WeakPolarHBondContact CG-OD1 3.44Å; R3-D256 IonicContact CZ-OD1 2.81Å; R3-D256 IonicContact CZ-OD2 3.41Å; R3-D256 IonicContact NE-OD1 2.84Å; R3-D256 PolarHBondContact NE-OD1 2.86Å; R3-D256 IonicContact NE-OD2 3.04Å; R3-D256 IonicContact NH2-OD1 2.91Å; R3-D256 PolarHBondContact NH2-OD1 2.87Å; R3-D256 IonicContact NH2-OD2 2.77Å; R3-D256 PolarHBondContact NH2-OD2 2.63Å |
| 4 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 134 | 176.6 | 172.1 | 61.4 | 0 | 0 | 0 | 109.3 | L2 L6 L37 L183 L185 I235 T254 A255 L257 | L2-L4 HydrophobicContact CD2-CB 4Å; L4-L6 HydrophobicContact CD1-CD2 3.87Å; L4-L6 HydrophobicContact CD2-CD2 4.02Å; L4-L6 HydrophobicContact CG-CD2 3.94Å; L4-L37 WeakPolarHBondContact CA-O 3.25Å; L4-L37 HydrophobicContact CD1-CB 4.25Å; L4-L37 HydrophobicContact CD1-CD2 3.96Å; L4-L37 HydrophobicContact CD1-CG 3.85Å; L4-L183 HydrophobicContact CD2-CD1 4.34Å; L4-L183 HydrophobicContact CD2-CD2 4.44Å; L4-L185 HydrophobicContact CD1-CD1 4.44Å; L4-L185 HydrophobicContact CD1-CD2 4.23Å; L4-L185 HydrophobicContact CD2-CD2 3.83Å; L4-I235 HydrophobicContact CB-CD1 4.45Å; L4-I235 HydrophobicContact CD2-CD1 3.94Å; L4-I235 HydrophobicContact CD2-CG1 4.19Å; L4-I235 HydrophobicContact CG-CD1 4.1Å; L4-T254 VanDerWaalsContact O-CA 3.25Å; L4-T254 WeakPolarHBondContact O-CA 3.38Å; L4-A255 PolarHBondContact N-O 2.75Å; L4-A255 PolarHBondContact O-N 3.19Å; L4-L257 HydrophobicContact CB-CD1 4.21Å; L4-L257 HydrophobicContact CB-CG 4.34Å; L4-L257 HydrophobicContact CD2-CD1 4.22Å |
| 5 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 129.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | A29 P35 L37 V38 C39 I252 I253 T254 | A5-A29 HydrophobicContact CB-CB 4.29Å; A5-P35 HydrophobicContact CB-CB 3.78Å; A5-P35 HydrophobicContact CB-CG 4.02Å; A5-L37 PolarHBondContact N-O 3.1Å; A5-V38 HydrophobicContact CB-CG2 4.29Å; A5-V38 CarbonylContact O-C 3.58Å; A5-V38 WeakPolarHBondContact O-CA 3.21Å; A5-C39 PolarHBondContact O-N 3.1Å; A5-I252 HydrophobicContact CB-CG2 4.13Å; A5-I253 CarbonylContact C-O 3.52Å; A5-I253 WeakPolarHBondContact CA-O 3.41Å; A5-T254 HydrophobicContact CB-CG2 3.83Å |
| 6 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123.9 | 170.2 | -49.6 | -176.9 | 0 | 0 | 0 | 107.9 | L4 C39 L185 M216 C217 L234 I235 I253 | L4-L6 HydrophobicContact CD1-CD2 3.87Å; L4-L6 HydrophobicContact CD2-CD2 4.02Å; L4-L6 HydrophobicContact CG-CD2 3.94Å; L6-C39 HydrophobicContact CD2-CB 3.69Å; L6-L185 HydrophobicContact CD2-CD2 4.41Å; L6-M216 WeakPolarHBondContact CD1-O 3.35Å; L6-C217 HydrophobicContact CB-CB 4.15Å; L6-C217 HydrophobicContact CD2-CB 4.2Å; L6-L234 WeakPolarHBondContact CD1-O 3.33Å; L6-I235 HydrophobicContact CD1-CD1 4.29Å; L6-I235 HydrophobicContact CD1-CG1 3.66Å; L6-I235 HydrophobicContact CG-CD1 4.23Å; L6-I235 HydrophobicContact CG-CG1 4.13Å; L6-I253 HydrophobicContact CB-CB 4.3Å; L6-I253 PolarHBondContact N-O 2.98Å; L6-I253 PolarHBondContact O-N 3.26Å |
| 7 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 102 | -179.8 | 174.3 | 0 | 0 | 0 | 0 | 108.5 | M9 L25 V38 C39 L40 P41 C217 | V7-M9 HydrophobicContact CG1-CB 4.27Å; V7-M9 PolarHBondContact O-N 3.18Å; V7-L25 HydrophobicContact CG1-CB 3.57Å; V7-L25 HydrophobicContact CG1-CD1 3.73Å; V7-L25 HydrophobicContact CG1-CG 4.25Å; V7-V38 HydrophobicContact CG2-CG1 3.75Å; V7-C39 PolarHBondContact N-O 2.87Å; V7-L40 HydrophobicContact CB-CD2 3.7Å; V7-L40 HydrophobicContact CG1-CD2 3.82Å; V7-L40 HydrophobicContact CG2-CD2 4.14Å; V7-P41 WeakPolarHBondContact O-CD 3.4Å; V7-C217 PolarHBondContact O-SG 3.43Å; V7-C217 VanDerWaalsContact O-SG 3.34Å |
| 8 | Q | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 101.9 | 173.3 | 175.8 | 165.5 | -68.3 | 0 | 0 | 108.5 | S218 A220 E232 S233 G247 E249 E250 E251 I253 | Q8-S218 WeakPolarHBondContact CA-O 3.47Å; Q8-S218 WeakPolarHBondContact CG-O 3.35Å; Q8-A220 HydrophobicContact CG-CB 4.05Å; Q8-E232 VanDerWaalsContact OE1-N 3.12Å; Q8-S233 PolarHBondContact OE1-OG 3.19Å; Q8-G247 PolarHBondContact NE2-O 3.48Å; Q8-E249 PolarHBondContact NE2-O 2.84Å; Q8-E250 CarbonylContact O-C 3.48Å; Q8-E250 VanDerWaalsContact O-CA 3.22Å; Q8-E250 WeakPolarHBondContact O-CA 3.41Å; Q8-E250 WeakPolarHBondContact O-CG 3.48Å; Q8-E251 HydrophobicContact CB-CG 4.31Å; Q8-E251 WeakPolarHBondContact CB-O 3.41Å; Q8-E251 PolarHBondContact N-O 3.25Å; Q8-E251 PolarHBondContact NE2-OE1 3.29Å; Q8-E251 PolarHBondContact O-N 2.83Å; Q8-I253 HydrophobicContact CB-CD1 3.67Å |
| 9 | M | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -112.7 | 152.7 | -174 | 66.9 | -179.8 | -70.8 | 0 | 0 | 112.9 | V7 V11 N18 R21 A22 L25 P41 F44 P219 A220 E250 | V7-M9 HydrophobicContact CG1-CB 4.27Å; V7-M9 PolarHBondContact O-N 3.18Å; M9-V11 HydrophobicContact CG-CG2 4.3Å; M9-N18 WeakPolarHBondContact CE-O 3.25Å; M9-R21 HydrophobicContact CE-CB 3.99Å; M9-R21 HydrophobicContact CE-CG 4.13Å; M9-A22 HydrophobicContact CE-CB 4Å; M9-A22 HydrophobicContact SD-CB 3.78Å; M9-L25 HydrophobicContact CB-CD1 3.35Å; M9-P41 HydrophobicContact CG-CG 3.96Å; M9-F44 HydrophobicContact SD-CB 4.05Å; M9-F44 HydrophobicContact SD-CD2 4.22Å; M9-P219 CarbonylContact O-C 3.52Å; M9-P219 WeakPolarHBondContact O-CA 3.3Å; M9-A220 PolarHBondContact O-N 3.41Å; M9-E250 WeakPolarHBondContact CA-OE2 3.25Å | ||
| 10 | F | 98.4 | Very high | 98 | Very high | 74 Ų | 74 | 41.5 Ų | 41.5 | 33% | 0.325 | 23% | 0.226 | S | C | . | . | trans | -66 | 138.4 | 164.3 | -74.1 | -64.5 | 0 | 0 | 0 | 110 | A220 C221 N222 E249 E250 | F10-A220 HydrophobicContact CD1-CB 3.68Å; F10-A220 HydrophobicContact CE1-CB 3.8Å; F10-A220 HydrophobicContact CG-CB 4.09Å; F10-A220 HydrophobicContact CZ-CB 4.32Å; F10-C221 WeakPolarHBondContact CE1-O 3.49Å; F10-N222 HydrophobicContact CD1-CB 4.25Å; F10-E249 WeakPolarHBondContact CZ-OE2 3.3Å; F10-E250 HydrophobicContact CD2-CB 3.57Å; F10-E250 HydrophobicContact CD2-CG 4.49Å; F10-E250 HydrophobicContact CE2-CB 3.67Å; F10-E250 HydrophobicContact CG-CB 4.39Å; F10-E250 PolarHBondContact N-OE2 3.22Å | ||
| 11 | V | 98.4 | Very high | 98 | Very high | 8 Ų | 8 | 43 Ų | 43 | 5% | 0.048 | 23% | 0.228 | C | C | . | . | trans | -117.8 | 131.6 | 172 | 179.8 | 0 | 0 | 0 | 0 | 107.3 | M9 S46 P219 N222 L225 | M9-V11 HydrophobicContact CG-CG2 4.3Å; V11-S46 WeakPolarHBondContact CG1-O 3.36Å; V11-P219 HydrophobicContact CG2-CB 3.99Å; V11-P219 HydrophobicContact CG2-CG 4.42Å; V11-N222 PolarHBondContact O-ND2 3.09Å; V11-L225 WeakPolarHBondContact O-CD1 3.4Å | ||
| 12 | G | 97.1 | Very high | 98.3 | Very high | 19 Ų | 19 | 36 Ų | 36 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | trans | -121.6 | -172.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | N18 P47 | G12-N18 PolarHBondContact N-OD1 2.67Å; G12-N18 PolarHBondContact O-ND2 2.97Å; G12-P47 WeakPolarHBondContact O-CD 3.19Å | ||
| 13 | A | 96.7 | Very high | 98.5 | Very high | 60 Ų | 60 | 37.9 Ų | 37.9 | 50% | 0.496 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -78.6 | -18.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K15 P47 Y56 | A13-K15 PolarHBondContact O-N 3.14Å; A13-P47 HydrophobicContact CB-CG 4.23Å; A13-Y56 WeakPolarHBondContact O-CE1 3.37Å; A13-Y56 PolarHBondContact O-OH 3.3Å |
| 14 | D | 97.9 | Very high | 98.5 | Very high | 92 Ų | 92 | 37.6 Ų | 37.6 | 49% | 0.492 | 21% | 0.209 | S | C | . | . | trans | -84.5 | 101.3 | 176.9 | -173 | -32.4 | 0 | 0 | 0 | 110.3 | P16 A17 N18 | D14-P16 WeakPolarHBondContact OD1-CD 2.86Å; D14-A17 HydrophobicContact CB-CB 3.77Å; D14-A17 PolarHBondContact O-N 3.48Å; D14-A17 PolarHBondContact OD1-N 3.29Å; D14-N18 VanDerWaalsContact O-CG 3.23Å; D14-N18 PolarHBondContact O-N 3.31Å; D14-N18 PolarHBondContact O-ND2 2.84Å | ||
| 15 | K | 98.2 | Very high | 98.5 | Very high | 38 Ų | 38 | 37.7 Ų | 37.7 | 17% | 0.165 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.7 | -52.9 | 178.8 | 169.1 | -168.2 | -70.2 | -157.7 | 0 | 112.6 | A13 A17 N18 I19 Y56 E58 | A13-K15 PolarHBondContact O-N 3.14Å; K15-A17 PolarHBondContact O-N 3.07Å; K15-N18 WeakPolarHBondContact O-CB 3.05Å; K15-N18 PolarHBondContact O-N 3.28Å; K15-N18 VanDerWaalsContact O-N 3.13Å; K15-I19 HydrophobicContact CD-CD1 4.33Å; K15-I19 HydrophobicContact CG-CD1 3.81Å; K15-I19 HydrophobicContact CG-CG1 4.37Å; K15-I19 WeakPolarHBondContact O-CG1 3.3Å; K15-I19 PolarHBondContact O-N 2.8Å; K15-Y56 HydrophobicContact CB-CD1 4.1Å; K15-Y56 HydrophobicContact CB-CE1 4.15Å; K15-Y56 WeakPolarHBondContact CE-O 3.39Å; K15-Y56 PolarHBondContact NZ-O 2.89Å; K15-E58 WeakPolarHBondContact CD-OE1 3.42Å; K15-E58 WeakPolarHBondContact CE-OE1 3.44Å; K15-E58 IonicContact NZ-OE1 3.62Å; K15-E58 PolarHBondContact NZ-OE1 3.26Å |
| 16 | P | 98.4 | Very high | 98.5 | Very high | 94 Ų | 94 | 37.7 Ų | 37.7 | 61% | 0.61 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -50.8 | -42.1 | 173.9 | -29.8 | 32.8 | 0 | 0 | 0 | 113.9 | D14 I19 K20 | D14-P16 WeakPolarHBondContact OD1-CD 2.86Å; P16-I19 PolarHBondContact O-N 2.64Å; P16-K20 WeakPolarHBondContact O-CB 3.47Å; P16-K20 PolarHBondContact O-N 3.35Å |
| 17 | A | 98.5 | Very high | 98.5 | Very high | 47 Ų | 47 | 39.5 Ų | 39.5 | 39% | 0.388 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.4 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D14 K15 K20 R21 | D14-A17 HydrophobicContact CB-CB 3.77Å; D14-A17 PolarHBondContact O-N 3.48Å; D14-A17 PolarHBondContact OD1-N 3.29Å; K15-A17 PolarHBondContact O-N 3.07Å; A17-K20 PolarHBondContact O-N 3.02Å; A17-R21 WeakPolarHBondContact O-CB 3.16Å; A17-R21 PolarHBondContact O-N 3.05Å |
| 18 | N | 98.7 | Very high | 98.5 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 5% | 0.048 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.5 | -48.1 | 175.2 | -66.3 | -29.8 | 0 | 0 | 0 | 111.6 | M9 G12 D14 K15 K20 R21 A22 F44 T45 | M9-N18 WeakPolarHBondContact CE-O 3.25Å; G12-N18 PolarHBondContact N-OD1 2.67Å; G12-N18 PolarHBondContact O-ND2 2.97Å; D14-N18 VanDerWaalsContact O-CG 3.23Å; D14-N18 PolarHBondContact O-N 3.31Å; D14-N18 PolarHBondContact O-ND2 2.84Å; K15-N18 WeakPolarHBondContact O-CB 3.05Å; K15-N18 PolarHBondContact O-N 3.28Å; K15-N18 VanDerWaalsContact O-N 3.13Å; N18-K20 VanDerWaalsContact C-N 3.34Å; N18-K20 PolarHBondContact O-N 3.24Å; N18-R21 PolarHBondContact O-N 2.74Å; N18-A22 WeakPolarHBondContact O-CB 3.44Å; N18-A22 PolarHBondContact O-N 3Å; N18-F44 WeakPolarHBondContact CB-O 3.42Å; N18-T45 VanDerWaalsContact ND2-C 3.27Å; N18-T45 PolarHBondContact ND2-O 2.99Å |
| 19 | I | 98.8 | Very high | 98.5 | Very high | 22 Ų | 22 | 43.1 Ų | 43.1 | 11% | 0.113 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.7 | -45.8 | 179.4 | -68.1 | 169.9 | 0 | 0 | 0 | 110.6 | K15 P16 A22 S23 T45 P64 S65 M68 | K15-I19 HydrophobicContact CD-CD1 4.33Å; K15-I19 HydrophobicContact CG-CD1 3.81Å; K15-I19 HydrophobicContact CG-CG1 4.37Å; K15-I19 WeakPolarHBondContact O-CG1 3.3Å; K15-I19 PolarHBondContact O-N 2.8Å; P16-I19 PolarHBondContact O-N 2.64Å; I19-A22 PolarHBondContact O-N 3.01Å; I19-S23 PolarHBondContact O-N 3.49Å; I19-S23 VanDerWaalsContact O-N 3.09Å; I19-T45 HydrophobicContact CG1-CG2 4.03Å; I19-P64 HydrophobicContact CD1-CB 4.29Å; I19-P64 HydrophobicContact CD1-CG 4.4Å; I19-S65 WeakPolarHBondContact CD1-OG 3.18Å; I19-M68 HydrophobicContact CG2-CB 3.68Å; I19-M68 HydrophobicContact CG2-CE 4.07Å; I19-M68 HydrophobicContact CG2-CG 3.71Å |
| 20 | K | 98.8 | Very high | 98.5 | Very high | 136 Ų | 136 | 44.3 Ų | 44.3 | 59% | 0.591 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61 | -46.9 | 176.7 | -174.7 | -174.1 | 177.6 | -161 | 0 | 111.1 | P16 A17 N18 A22 S23 E24 | P16-K20 WeakPolarHBondContact O-CB 3.47Å; P16-K20 PolarHBondContact O-N 3.35Å; A17-K20 PolarHBondContact O-N 3.02Å; N18-K20 VanDerWaalsContact C-N 3.34Å; N18-K20 PolarHBondContact O-N 3.24Å; K20-A22 VanDerWaalsContact C-N 3.34Å; K20-A22 PolarHBondContact O-N 2.95Å; K20-S23 WeakPolarHBondContact O-CB 3.44Å; K20-S23 PolarHBondContact O-N 2.85Å; K20-E24 WeakPolarHBondContact CE-OE1 3.27Å; K20-E24 IonicContact NZ-OE1 3.88Å; K20-E24 WeakPolarHBondContact O-CG 3.45Å; K20-E24 PolarHBondContact O-N 3.21Å |
| 21 | R | 98.7 | Very high | 98.5 | Very high | 75 Ų | 75 | 45.1 Ų | 45.1 | 28% | 0.283 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | -179.8 | -172.2 | 66.8 | -168.8 | 145.6 | -4.9 | 112.1 | M9 A17 N18 S23 E24 L25 E250 | M9-R21 HydrophobicContact CE-CB 3.99Å; M9-R21 HydrophobicContact CE-CG 4.13Å; A17-R21 WeakPolarHBondContact O-CB 3.16Å; A17-R21 PolarHBondContact O-N 3.05Å; N18-R21 PolarHBondContact O-N 2.74Å; R21-S23 VanDerWaalsContact C-N 3.34Å; R21-S23 PolarHBondContact O-N 3.14Å; R21-E24 IonicContact CZ-OE2 3.87Å; R21-E24 IonicContact NH1-OE2 3.48Å; R21-E24 PolarHBondContact NH1-OE2 2.96Å; R21-E24 PolarHBondContact O-N 3.4Å; R21-L25 HydrophobicContact CG-CD1 4Å; R21-L25 HydrophobicContact CG-CG 4.43Å; R21-L25 WeakPolarHBondContact O-CB 3.29Å; R21-L25 VanDerWaalsContact O-CG 3.32Å; R21-L25 WeakPolarHBondContact O-CG 3.38Å; R21-L25 PolarHBondContact O-N 3.02Å; R21-E250 IonicContact CZ-OE1 3.46Å; R21-E250 IonicContact NE-OE1 2.93Å; R21-E250 PolarHBondContact NE-OE1 3.22Å; R21-E250 IonicContact NE-OE2 3.83Å; R21-E250 IonicContact NH2-OE1 3.51Å; R21-E250 PolarHBondContact NH2-OE1 3.35Å |
| 22 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.4 | -46.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | M9 N18 I19 K20 E24 L25 I26 L40 F44 M68 | M9-A22 HydrophobicContact CE-CB 4Å; M9-A22 HydrophobicContact SD-CB 3.78Å; N18-A22 WeakPolarHBondContact O-CB 3.44Å; N18-A22 PolarHBondContact O-N 3Å; I19-A22 PolarHBondContact O-N 3.01Å; K20-A22 VanDerWaalsContact C-N 3.34Å; K20-A22 PolarHBondContact O-N 2.95Å; A22-E24 PolarHBondContact O-N 3.18Å; A22-L25 PolarHBondContact O-N 3.19Å; A22-I26 WeakPolarHBondContact O-CD1 3.47Å; A22-I26 VanDerWaalsContact O-CG1 3.23Å; A22-I26 WeakPolarHBondContact O-CG1 3.42Å; A22-I26 PolarHBondContact O-N 2.93Å; A22-L40 HydrophobicContact CB-CD1 4.03Å; A22-L40 HydrophobicContact CB-CD2 4.47Å; A22-F44 HydrophobicContact CB-CD2 3.73Å; A22-F44 HydrophobicContact CB-CE2 3.72Å; A22-M68 HydrophobicContact CB-CE 3.99Å |
| 23 | S | 98.8 | Very high | 98.5 | Very high | 40 Ų | 40 | 51.8 Ų | 51.8 | 28% | 0.28 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59 | -46.5 | 175.9 | -173 | 0 | 0 | 0 | 0 | 112.1 | I19 K20 R21 L25 I26 S27 | I19-S23 PolarHBondContact O-N 3.49Å; I19-S23 VanDerWaalsContact O-N 3.09Å; K20-S23 WeakPolarHBondContact O-CB 3.44Å; K20-S23 PolarHBondContact O-N 2.85Å; R21-S23 VanDerWaalsContact C-N 3.34Å; R21-S23 PolarHBondContact O-N 3.14Å; S23-L25 VanDerWaalsContact C-N 3.35Å; S23-L25 PolarHBondContact O-N 3.35Å; S23-I26 PolarHBondContact O-N 3.29Å; S23-S27 PolarHBondContact O-N 3.18Å; S23-S27 PolarHBondContact O-OG 2.92Å |
| 24 | E | 98.8 | Very high | 98.6 | Very high | 76 Ų | 76 | 52.8 Ų | 52.8 | 36% | 0.355 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 178.4 | -70.1 | 170.8 | 178.1 | 0 | 0 | 112.1 | K20 R21 A22 S27 R28 | K20-E24 WeakPolarHBondContact CE-OE1 3.27Å; K20-E24 IonicContact NZ-OE1 3.88Å; K20-E24 WeakPolarHBondContact O-CG 3.45Å; K20-E24 PolarHBondContact O-N 3.21Å; R21-E24 IonicContact CZ-OE2 3.87Å; R21-E24 IonicContact NH1-OE2 3.48Å; R21-E24 PolarHBondContact NH1-OE2 2.96Å; R21-E24 PolarHBondContact O-N 3.4Å; A22-E24 PolarHBondContact O-N 3.18Å; E24-S27 PolarHBondContact O-N 2.93Å; E24-R28 WeakPolarHBondContact O-CB 3.33Å; E24-R28 PolarHBondContact O-N 3.03Å |
| 25 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.9 | -34 | 179.2 | -70.4 | 171 | 0 | 0 | 0 | 112.7 | V7 M9 R21 A22 S23 R28 A29 E250 | V7-L25 HydrophobicContact CG1-CB 3.57Å; V7-L25 HydrophobicContact CG1-CD1 3.73Å; V7-L25 HydrophobicContact CG1-CG 4.25Å; M9-L25 HydrophobicContact CB-CD1 3.35Å; R21-L25 HydrophobicContact CG-CD1 4Å; R21-L25 HydrophobicContact CG-CG 4.43Å; R21-L25 WeakPolarHBondContact O-CB 3.29Å; R21-L25 VanDerWaalsContact O-CG 3.32Å; R21-L25 WeakPolarHBondContact O-CG 3.38Å; R21-L25 PolarHBondContact O-N 3.02Å; A22-L25 PolarHBondContact O-N 3.19Å; S23-L25 VanDerWaalsContact C-N 3.35Å; S23-L25 PolarHBondContact O-N 3.35Å; L25-R28 VanDerWaalsContact CD2-CZ 3.44Å; L25-R28 PolarHBondContact O-N 3.25Å; L25-A29 WeakPolarHBondContact O-CB 3.44Å; L25-A29 PolarHBondContact O-N 2.82Å; L25-E250 HydrophobicContact CD1-CG 4.16Å; L25-E250 HydrophobicContact CD2-CG 4.3Å |
| 26 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62 | -49.6 | 170.4 | -69.2 | 161 | 0 | 0 | 0 | 109.5 | A22 S23 R28 A29 V30 V38 L40 M68 A72 I78 L80 | A22-I26 WeakPolarHBondContact O-CD1 3.47Å; A22-I26 VanDerWaalsContact O-CG1 3.23Å; A22-I26 WeakPolarHBondContact O-CG1 3.42Å; A22-I26 PolarHBondContact O-N 2.93Å; S23-I26 PolarHBondContact O-N 3.29Å; I26-R28 VanDerWaalsContact C-N 3.29Å; I26-R28 PolarHBondContact O-N 2.99Å; I26-A29 PolarHBondContact O-N 3.46Å; I26-V30 VanDerWaalsContact O-CG2 3.3Å; I26-V30 WeakPolarHBondContact O-CG2 3.05Å; I26-V30 PolarHBondContact O-N 3.19Å; I26-V38 HydrophobicContact CG1-CG1 4.22Å; I26-L40 HydrophobicContact CD1-CD1 4.25Å; I26-L40 HydrophobicContact CD1-CD2 4.25Å; I26-L40 HydrophobicContact CD1-CG 4.45Å; I26-L40 HydrophobicContact CG1-CD2 4.12Å; I26-M68 HydrophobicContact CD1-SD 4.37Å; I26-A72 HydrophobicContact CD1-CB 4.21Å; I26-A72 HydrophobicContact CG2-CB 4.27Å; I26-I78 HydrophobicContact CG2-CD1 3.86Å; I26-L80 HydrophobicContact CD1-CD1 4.03Å; I26-L80 HydrophobicContact CD1-CD2 3.99Å; I26-L80 HydrophobicContact CG1-CD1 4.33Å |
| 27 | S | 98.8 | Very high | 98.6 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.8 | -42.3 | 177.3 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | S23 E24 V30 S31 H76 | S23-S27 PolarHBondContact O-N 3.18Å; S23-S27 PolarHBondContact O-OG 2.92Å; E24-S27 PolarHBondContact O-N 2.93Å; S27-V30 PolarHBondContact O-N 3.2Å; S27-S31 PolarHBondContact O-N 2.8Å; S27-S31 PolarHBondContact O-OG 3.02Å; S27-H76 WeakPolarHBondContact CA-NE2 3.39Å; S27-H76 PolarHBondContact OG-CE1 2.92Å; S27-H76 PolarHBondContact OG-NE2 2.96Å |
| 28 | R | 98.8 | Very high | 98.7 | Very high | 76 Ų | 76 | 44.3 Ų | 44.3 | 29% | 0.287 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.8 | -44.8 | 176.8 | -169.1 | 177.2 | 72.6 | -172.2 | 2.1 | 112 | E24 L25 I26 V30 S31 E32 I252 | E24-R28 WeakPolarHBondContact O-CB 3.33Å; E24-R28 PolarHBondContact O-N 3.03Å; L25-R28 VanDerWaalsContact CD2-CZ 3.44Å; L25-R28 PolarHBondContact O-N 3.25Å; I26-R28 VanDerWaalsContact C-N 3.29Å; I26-R28 PolarHBondContact O-N 2.99Å; R28-V30 PolarHBondContact O-N 3.23Å; R28-S31 WeakPolarHBondContact CA-OG 3.29Å; R28-S31 PolarHBondContact O-N 3.11Å; R28-S31 PolarHBondContact O-OG 2.86Å; R28-E32 WeakPolarHBondContact CD-OE1 3.37Å; R28-E32 HydrophobicContact CG-CG 4.15Å; R28-E32 WeakPolarHBondContact CG-OE1 3.48Å; R28-E32 WeakPolarHBondContact O-CB 3.05Å; R28-E32 WeakPolarHBondContact O-CG 3.44Å; R28-E32 PolarHBondContact O-N 3.45Å; R28-I252 HydrophobicContact CB-CD1 4.1Å; R28-I252 HydrophobicContact CG-CD1 4.1Å; R28-I252 VanDerWaalsContact NE-CD1 3.3Å |
| 29 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.1 | -42.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | A5 L25 I26 H33 P35 I252 | A5-A29 HydrophobicContact CB-CB 4.29Å; L25-A29 WeakPolarHBondContact O-CB 3.44Å; L25-A29 PolarHBondContact O-N 2.82Å; I26-A29 PolarHBondContact O-N 3.46Å; A29-H33 WeakPolarHBondContact O-CB 3.17Å; A29-H33 PolarHBondContact O-N 3Å; A29-P35 VanDerWaalsContact O-CD 3.31Å; A29-P35 WeakPolarHBondContact O-CD 3.38Å; A29-I252 HydrophobicContact CB-CD1 3.93Å; A29-I252 HydrophobicContact CB-CG1 4.49Å; A29-I252 HydrophobicContact CB-CG2 3.88Å |
| 30 | V | 98.8 | Very high | 98.7 | Very high | 25 Ų | 25 | 42.9 Ų | 42.9 | 15% | 0.152 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66 | -48.1 | 178.2 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | I26 S27 R28 S34 P35 H76 I78 | I26-V30 VanDerWaalsContact O-CG2 3.3Å; I26-V30 WeakPolarHBondContact O-CG2 3.05Å; I26-V30 PolarHBondContact O-N 3.19Å; S27-V30 PolarHBondContact O-N 3.2Å; R28-V30 PolarHBondContact O-N 3.23Å; V30-S34 WeakPolarHBondContact O-CA 3.19Å; V30-S34 PolarHBondContact O-N 2.94Å; V30-P35 HydrophobicContact CG2-CG 4.32Å; V30-H76 HydrophobicContact CB-CB 4.37Å; V30-H76 HydrophobicContact CG1-CB 4.09Å; V30-H76 HydrophobicContact CG2-CB 3.75Å; V30-I78 HydrophobicContact CG2-CD1 3.98Å; V30-I78 HydrophobicContact CG2-CG2 4.06Å |
| 31 | S | 98.5 | Very high | 98.7 | Very high | 90 Ų | 90 | 36.4 Ų | 36.4 | 63% | 0.629 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -65.9 | -39.8 | -179.3 | 59.4 | 0 | 0 | 0 | 0 | 113.2 | S27 R28 | S27-S31 PolarHBondContact O-N 2.8Å; S27-S31 PolarHBondContact O-OG 3.02Å; R28-S31 WeakPolarHBondContact CA-OG 3.29Å; R28-S31 PolarHBondContact O-N 3.11Å; R28-S31 PolarHBondContact O-OG 2.86Å |
| 32 | E | 98.5 | Very high | 98.7 | Very high | 115 Ų | 115 | 33 Ų | 33 | 54% | 0.537 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -85.7 | -31.9 | -173.2 | -68.4 | 175.7 | -179.4 | 0 | 0 | 112.5 | R28 | R28-E32 WeakPolarHBondContact CD-OE1 3.37Å; R28-E32 HydrophobicContact CG-CG 4.15Å; R28-E32 WeakPolarHBondContact CG-OE1 3.48Å; R28-E32 WeakPolarHBondContact O-CB 3.05Å; R28-E32 WeakPolarHBondContact O-CG 3.44Å; R28-E32 PolarHBondContact O-N 3.45Å |
| 33 | H | 98.3 | Very high | 98.7 | Very high | 53 Ų | 53 | 33.1 Ų | 33.1 | 25% | 0.245 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -125.9 | -14.3 | -169.4 | -53.4 | -70.2 | 0 | 0 | 0 | 114.5 | R3 A29 T254 | R3-H33 WeakPolarHBondContact CD-O 3.42Å; R3-H33 PolarHBondContact NH1-O 2.95Å; A29-H33 WeakPolarHBondContact O-CB 3.17Å; A29-H33 PolarHBondContact O-N 3Å; H33-T254 HydrophobicContact CB-CG2 3.86Å |
| 34 | S | 97.9 | Very high | 98.6 | Very high | 80 Ų | 80 | 31.2 Ų | 31.2 | 56% | 0.559 | 17% | 0.168 | S | C | * | . | trans | 49.4 | 53.6 | -175.8 | -54.5 | 0 | 0 | 0 | 0 | 113.2 | V30 | V30-S34 WeakPolarHBondContact O-CA 3.19Å; V30-S34 PolarHBondContact O-N 2.94Å | ||
| 35 | P | 98.4 | Very high | 98.6 | Very high | 7 Ų | 7 | 27.6 Ų | 27.6 | 5% | 0.045 | 15% | 0.151 | C | C | . | . | trans | -70.1 | 151.3 | 179.5 | 33.7 | -30.9 | 0 | 0 | 0 | 110.4 | R3 A5 A29 V30 V38 I78 | R3-P35 HydrophobicContact CG-CB 4.31Å; A5-P35 HydrophobicContact CB-CB 3.78Å; A5-P35 HydrophobicContact CB-CG 4.02Å; A29-P35 VanDerWaalsContact O-CD 3.31Å; A29-P35 WeakPolarHBondContact O-CD 3.38Å; V30-P35 HydrophobicContact CG2-CG 4.32Å; P35-V38 HydrophobicContact CB-CG2 4.18Å; P35-V38 HydrophobicContact CG-CG2 3.56Å; P35-I78 VanDerWaalsContact O-CG2 3.29Å; P35-I78 WeakPolarHBondContact O-CG2 3.43Å | ||
| 36 | H | 98.1 | Very high | 98.6 | Very high | 87 Ų | 87 | 27.6 Ų | 27.6 | 40% | 0.403 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -85.5 | -31.6 | 170.1 | -59.5 | 75.3 | 0 | 0 | 0 | 110.8 | L2 R3 W79 L146 | L2-H36 HydrophobicContact CG-CB 4.29Å; R3-H36 PolarHBondContact N-ND1 2.93Å; R3-H36 VanDerWaalsContact N-ND1 3.15Å; R3-H36 PolarHBondContact O-N 3.39Å; H36-W79 PolarHBondContact O-N 2.68Å; H36-L146 HydrophobicContact CB-CD2 4.47Å |
| 37 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 127.1 | -175.7 | 178.8 | 60 | 0 | 0 | 0 | 109.4 | L2 R3 L4 A5 W79 V81 F142 I144 V158 L183 L185 | L2-L37 HydrophobicContact CD2-CB 4.1Å; L2-L37 HydrophobicContact CD2-CD2 4.28Å; R3-L37 PolarHBondContact O-N 3.21Å; L4-L37 WeakPolarHBondContact CA-O 3.25Å; L4-L37 HydrophobicContact CD1-CB 4.25Å; L4-L37 HydrophobicContact CD1-CD2 3.96Å; L4-L37 HydrophobicContact CD1-CG 3.85Å; A5-L37 PolarHBondContact N-O 3.1Å; L37-W79 WeakPolarHBondContact CA-O 3.36Å; L37-W79 HydrophobicContact CB-CB 4.47Å; L37-W79 HydrophobicContact CD1-CB 3.54Å; L37-V81 HydrophobicContact CD1-CG2 4.08Å; L37-F142 HydrophobicContact CD1-CE2 4.5Å; L37-F142 HydrophobicContact CD1-CZ 4.2Å; L37-I144 HydrophobicContact CB-CD1 4.3Å; L37-I144 HydrophobicContact CD1-CD1 4.08Å; L37-I144 HydrophobicContact CD2-CD1 3.71Å; L37-I144 HydrophobicContact CG-CD1 4.27Å; L37-V158 HydrophobicContact CD2-CG2 4.46Å; L37-L183 HydrophobicContact CD2-CD2 3.72Å; L37-L185 HydrophobicContact CD2-CD1 3.79Å; L37-L185 HydrophobicContact CG-CD1 4.39Å |
| 38 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 140.9 | 172.4 | 178.8 | 0 | 0 | 0 | 0 | 109.4 | A5 V7 I26 P35 I78 W79 L80 V81 | A5-V38 HydrophobicContact CB-CG2 4.29Å; A5-V38 CarbonylContact O-C 3.58Å; A5-V38 WeakPolarHBondContact O-CA 3.21Å; V7-V38 HydrophobicContact CG2-CG1 3.75Å; I26-V38 HydrophobicContact CG1-CG1 4.22Å; P35-V38 HydrophobicContact CB-CG2 4.18Å; P35-V38 HydrophobicContact CG-CG2 3.56Å; V38-I78 HydrophobicContact CB-CD1 3.92Å; V38-I78 HydrophobicContact CG2-CD1 3.47Å; V38-I78 VanDerWaalsContact CG2-CD1 3.47Å; V38-W79 PolarHBondContact N-O 2.73Å; V38-L80 HydrophobicContact CB-CD1 3.8Å; V38-L80 HydrophobicContact CG1-CD1 3.84Å; V38-L80 WeakPolarHBondContact O-CA 3.23Å; V38-V81 PolarHBondContact O-N 2.83Å |
| 39 | C | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 128.2 | 174.5 | -169.3 | 0 | 0 | 0 | 0 | 109.8 | A5 L6 V7 V81 L185 C217 | A5-C39 PolarHBondContact O-N 3.1Å; L6-C39 HydrophobicContact CD2-CB 3.69Å; V7-C39 PolarHBondContact N-O 2.87Å; C39-V81 WeakPolarHBondContact CA-O 3.45Å; C39-V81 HydrophobicContact CB-CB 4.28Å; C39-L185 HydrophobicContact CB-CD1 4.38Å; C39-C217 HydrophobicContact CB-CB 4.46Å; C39-C217 PolarHBondContact O-SG 3.29Å; C39-C217 VanDerWaalsContact O-SG 3.36Å |
| 40 | L | 99 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | P | Polyproline II helix | trans | -90.3 | 167.8 | 169.1 | -68.1 | -172.3 | 0 | 0 | 0 | 110.9 | V7 A22 I26 F44 L69 V81 G83 | V7-L40 HydrophobicContact CB-CD2 3.7Å; V7-L40 HydrophobicContact CG1-CD2 3.82Å; V7-L40 HydrophobicContact CG2-CD2 4.14Å; A22-L40 HydrophobicContact CB-CD1 4.03Å; A22-L40 HydrophobicContact CB-CD2 4.47Å; I26-L40 HydrophobicContact CD1-CD1 4.25Å; I26-L40 HydrophobicContact CD1-CD2 4.25Å; I26-L40 HydrophobicContact CD1-CG 4.45Å; I26-L40 HydrophobicContact CG1-CD2 4.12Å; L40-F44 HydrophobicContact CB-CD1 4.39Å; L40-F44 HydrophobicContact CB-CG 4.43Å; L40-F44 HydrophobicContact CD1-CD1 3.99Å; L40-F44 HydrophobicContact CD1-CD2 3.81Å; L40-F44 HydrophobicContact CD1-CE1 3.96Å; L40-F44 HydrophobicContact CD1-CE2 3.78Å; L40-F44 HydrophobicContact CD1-CG 3.92Å; L40-F44 HydrophobicContact CD1-CZ 3.85Å; L40-L69 HydrophobicContact CD1-CD2 3.67Å; L40-V81 PolarHBondContact N-O 3.04Å; L40-G83 VanDerWaalsContact C-CA 3.48Å; L40-G83 WeakPolarHBondContact O-CA 3.17Å |
| 41 | P | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -87.4 | 171 | -177.8 | 33.4 | -32.5 | 0 | 0 | 0 | 113.8 | V7 M9 F44 G83 S84 C217 P219 | V7-P41 WeakPolarHBondContact O-CD 3.4Å; M9-P41 HydrophobicContact CG-CG 3.96Å; P41-F44 HydrophobicContact CG-CB 3.97Å; P41-G83 CarbonylContact O-C 3.59Å; P41-G83 WeakPolarHBondContact O-CA 3.16Å; P41-S84 PolarHBondContact O-N 3.15Å; P41-C217 WeakPolarHBondContact CA-O 3.5Å; P41-P219 HydrophobicContact CB-CG 3.87Å; P41-P219 VanDerWaalsContact CB-N 3.26Å; P41-P219 HydrophobicContact CG-CB 4.47Å; P41-P219 HydrophobicContact CG-CG 4.17Å |
| 42 | E | 98.7 | Very high | 97.3 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 2% | 0.023 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 138 | 172.5 | 179.5 | 178.3 | -145.1 | 0 | 0 | 111 | F44 S84 N96 K113 I162 C163 A189 | E42-F44 VanDerWaalsContact C-N 3.27Å; E42-F44 PolarHBondContact O-N 2.66Å; E42-S84 WeakPolarHBondContact CA-OG 3.36Å; E42-S84 WeakPolarHBondContact CG-OG 3.26Å; E42-N96 PolarHBondContact OE1-ND2 3.22Å; E42-K113 IonicContact OE1-NZ 3.16Å; E42-K113 PolarHBondContact OE1-NZ 3.24Å; E42-I162 HydrophobicContact CB-CG2 4.42Å; E42-I162 HydrophobicContact CG-CG2 3.9Å; E42-I162 VanDerWaalsContact OE1-CG2 3.25Å; E42-I162 WeakPolarHBondContact OE1-CG2 3.06Å; E42-C163 VanDerWaalsContact CD-CB 3.45Å; E42-C163 WeakPolarHBondContact OE1-CB 3.33Å; E42-C163 WeakPolarHBondContact OE2-CB 3.47Å; E42-C163 PolarHBondContact OE2-SG 3.17Å; E42-A189 HydrophobicContact CB-CB 4.43Å; E42-A189 PolarHBondContact OE2-N 3.14Å |
| 43 | C | 98.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.007 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 40.6 | -179.6 | -66 | 0 | 0 | 0 | 0 | 114.1 | T45 S46 I48 S84 | C43-T45 PolarHBondContact O-N 3.33Å; C43-S46 PolarHBondContact O-N 3.46Å; C43-S46 VanDerWaalsContact O-N 3.09Å; C43-I48 HydrophobicContact CB-CD1 4.16Å; C43-I48 HydrophobicContact CB-CG1 3.64Å; C43-S84 CarbonylContact C-O 3.57Å; C43-S84 WeakPolarHBondContact CA-O 3Å; C43-S84 PolarHBondContact N-O 3.03Å; C43-S84 PolarHBondContact N-OG 2.77Å |
| 44 | F | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -15.3 | -173.8 | 81.8 | -88.9 | 0 | 0 | 0 | 114.5 | M9 N18 A22 L40 P41 E42 M68 L69 G82 S84 I85 | M9-F44 HydrophobicContact SD-CB 4.05Å; M9-F44 HydrophobicContact SD-CD2 4.22Å; N18-F44 WeakPolarHBondContact CB-O 3.42Å; A22-F44 HydrophobicContact CB-CD2 3.73Å; A22-F44 HydrophobicContact CB-CE2 3.72Å; L40-F44 HydrophobicContact CB-CD1 4.39Å; L40-F44 HydrophobicContact CB-CG 4.43Å; L40-F44 HydrophobicContact CD1-CD1 3.99Å; L40-F44 HydrophobicContact CD1-CD2 3.81Å; L40-F44 HydrophobicContact CD1-CE1 3.96Å; L40-F44 HydrophobicContact CD1-CE2 3.78Å; L40-F44 HydrophobicContact CD1-CG 3.92Å; L40-F44 HydrophobicContact CD1-CZ 3.85Å; P41-F44 HydrophobicContact CG-CB 3.97Å; E42-F44 VanDerWaalsContact C-N 3.27Å; E42-F44 PolarHBondContact O-N 2.66Å; F44-M68 HydrophobicContact CE2-CE 3.72Å; F44-M68 HydrophobicContact CZ-CE 3.9Å; F44-L69 HydrophobicContact CE1-CD1 4.18Å; F44-L69 HydrophobicContact CZ-CD1 4.12Å; F44-L69 HydrophobicContact CZ-CD2 4.14Å; F44-L69 HydrophobicContact CZ-CG 4.26Å; F44-G82 WeakPolarHBondContact CD1-O 3.5Å; F44-G82 VanDerWaalsContact CE1-O 3.23Å; F44-G82 WeakPolarHBondContact CE1-O 3.14Å; F44-S84 PolarHBondContact N-O 3.25Å; F44-S84 VanDerWaalsContact N-O 3.17Å; F44-I85 HydrophobicContact CD1-CG2 3.9Å; F44-I85 HydrophobicContact CE1-CG2 3.44Å; F44-I85 VanDerWaalsContact CE1-CG2 3.44Å; F44-I85 HydrophobicContact CZ-CG2 4.17Å |
| 45 | T | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -9.3 | -177.5 | 57.4 | 0 | 0 | 0 | 0 | 114.3 | N18 I19 C43 S65 I85 | N18-T45 VanDerWaalsContact ND2-C 3.27Å; N18-T45 PolarHBondContact ND2-O 2.99Å; I19-T45 HydrophobicContact CG1-CG2 4.03Å; C43-T45 PolarHBondContact O-N 3.33Å; T45-S65 VanDerWaalsContact CG2-OG 3.31Å; T45-S65 WeakPolarHBondContact CG2-OG 3.39Å; T45-I85 HydrophobicContact CG2-CG2 3.56Å |
| 46 | S | 97.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.007 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -158.4 | 151.7 | -166.9 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | V11 C43 | V11-S46 WeakPolarHBondContact CG1-O 3.36Å; C43-S46 PolarHBondContact O-N 3.46Å; C43-S46 VanDerWaalsContact O-N 3.09Å |
| 47 | P | 97.1 | Very high | 97.1 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.019 | 12% | 0.12 | C | C | . | . | trans | -58.3 | 148.3 | 168.3 | -20.6 | 34 | 0 | 0 | 0 | 111.9 | G12 A13 Y52 L225 | G12-P47 WeakPolarHBondContact O-CD 3.19Å; A13-P47 HydrophobicContact CB-CG 4.23Å; P47-Y52 HydrophobicContact CB-CD1 4.34Å; P47-Y52 HydrophobicContact CB-CD2 3.74Å; P47-Y52 HydrophobicContact CB-CE1 4.33Å; P47-Y52 HydrophobicContact CB-CE2 3.73Å; P47-Y52 HydrophobicContact CB-CG 4.04Å; P47-Y52 HydrophobicContact CG-CD1 4.45Å; P47-Y52 HydrophobicContact CG-CE1 4.4Å; P47-Y52 VanDerWaalsContact O-CB 3.32Å; P47-Y52 WeakPolarHBondContact O-CB 3.42Å; P47-L225 HydrophobicContact CB-CD1 4.48Å; P47-L225 HydrophobicContact CB-CD2 4.22Å; P47-L225 HydrophobicContact CG-CD2 4.12Å | ||
| 48 | I | 95.4 | Very high | 97.1 | Very high | 17 Ų | 17 | 21.5 Ų | 21.5 | 9% | 0.087 | 12% | 0.123 | C | C | . | . | trans | -87 | 124.8 | -179.2 | -64.7 | 174.4 | 0 | 0 | 0 | 110 | C43 F53 F127 A189 Y227 | C43-I48 HydrophobicContact CB-CD1 4.16Å; C43-I48 HydrophobicContact CB-CG1 3.64Å; I48-F53 HydrophobicContact CG2-CZ 4.29Å; I48-F127 HydrophobicContact CG2-CE2 4.32Å; I48-F127 HydrophobicContact CG2-CZ 3.95Å; I48-A189 HydrophobicContact CD1-CB 3.22Å; I48-Y227 HydrophobicContact CB-CD1 4.19Å; I48-Y227 HydrophobicContact CB-CG 4.11Å; I48-Y227 HydrophobicContact CD1-CD1 4.26Å; I48-Y227 HydrophobicContact CD1-CE1 4.41Å; I48-Y227 HydrophobicContact CG2-CD1 4.34Å; I48-Y227 HydrophobicContact CG2-CD2 4.24Å; I48-Y227 HydrophobicContact CG2-CG 4.11Å; I48-Y227 WeakPolarHBondContact O-CB 3.36Å | ||
| 49 | G | 92.7 | Very high | 97 | Very high | 8 Ų | 8 | 24.1 Ų | 24.1 | 8% | 0.082 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 160.4 | 151.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K51 Y52 F53 | G49-K51 PolarHBondContact O-N 3.3Å; G49-K51 VanDerWaalsContact O-N 3.13Å; G49-Y52 PolarHBondContact O-N 2.88Å; G49-F53 WeakPolarHBondContact O-CD2 3.15Å; G49-F53 WeakPolarHBondContact O-CG 3.39Å; G49-F53 PolarHBondContact O-N 2.98Å |
| 50 | A | 91.1 | Very high | 96.8 | Very high | 45 Ų | 45 | 25.1 Ų | 25.1 | 37% | 0.372 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -48.9 | -42.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y52 S132 | A50-Y52 VanDerWaalsContact C-N 3.26Å; A50-Y52 PolarHBondContact O-N 3.49Å; A50-S132 WeakPolarHBondContact CB-OG 3.35Å |
| 51 | K | 93.9 | Very high | 96.6 | Very high | 131 Ų | 131 | 27.7 Ų | 27.7 | 57% | 0.57 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -67.6 | -21.4 | 179.3 | 70.3 | -175.3 | -175.9 | -175.3 | 0 | 114.3 | G49 P55 D226 | G49-K51 PolarHBondContact O-N 3.3Å; G49-K51 VanDerWaalsContact O-N 3.13Å; K51-P55 WeakPolarHBondContact O-CD 3.42Å; K51-D226 WeakPolarHBondContact CE-OD2 3.29Å; K51-D226 IonicContact NZ-OD1 2.73Å; K51-D226 IonicContact NZ-OD2 3.53Å; K51-D226 PolarHBondContact NZ-OD2 2.87Å |
| 52 | Y | 96.5 | Very high | 96.3 | Very high | 46 Ų | 46 | 34.7 Ų | 34.7 | 18% | 0.18 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -95 | -32.9 | -177.4 | -58.4 | -63.2 | 0 | 0 | 0 | 112.5 | P47 G49 A50 G54 P55 Y56 D226 | P47-Y52 HydrophobicContact CB-CD1 4.34Å; P47-Y52 HydrophobicContact CB-CD2 3.74Å; P47-Y52 HydrophobicContact CB-CE1 4.33Å; P47-Y52 HydrophobicContact CB-CE2 3.73Å; P47-Y52 HydrophobicContact CB-CG 4.04Å; P47-Y52 HydrophobicContact CG-CD1 4.45Å; P47-Y52 HydrophobicContact CG-CE1 4.4Å; P47-Y52 VanDerWaalsContact O-CB 3.32Å; P47-Y52 WeakPolarHBondContact O-CB 3.42Å; G49-Y52 PolarHBondContact O-N 2.88Å; A50-Y52 VanDerWaalsContact C-N 3.26Å; A50-Y52 PolarHBondContact O-N 3.49Å; Y52-G54 PolarHBondContact O-N 3.41Å; Y52-P55 WeakPolarHBondContact O-CD 3.35Å; Y52-Y56 HydrophobicContact CD1-CD2 4.48Å; Y52-Y56 AromaticContact CD1-CE2 3.89Å; Y52-Y56 HydrophobicContact CD1-CE2 3.89Å; Y52-Y56 WeakPolarHBondContact O-CB 3.34Å; Y52-Y56 WeakPolarHBondContact O-CD2 3.4Å; Y52-Y56 PolarHBondContact O-N 3.11Å; Y52-D226 PolarHBondContact OH-OD2 3.26Å |
| 53 | F | 96.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.4 | -46.3 | -173.4 | -62.3 | -42 | 0 | 0 | 0 | 113.7 | I48 G49 A57 P86 L94 F127 E129 L133 | I48-F53 HydrophobicContact CG2-CZ 4.29Å; G49-F53 WeakPolarHBondContact O-CD2 3.15Å; G49-F53 WeakPolarHBondContact O-CG 3.39Å; G49-F53 PolarHBondContact O-N 2.98Å; F53-A57 WeakPolarHBondContact O-CB 3.36Å; F53-A57 PolarHBondContact O-N 3.29Å; F53-P86 HydrophobicContact CB-CB 4.41Å; F53-P86 HydrophobicContact CD1-CB 4.35Å; F53-P86 HydrophobicContact CD1-CG 4Å; F53-P86 WeakPolarHBondContact O-CB 3.43Å; F53-L94 HydrophobicContact CB-CD1 4.44Å; F53-F127 HydrophobicContact CE2-CZ 4.34Å; F53-F127 HydrophobicContact CZ-CZ 4.25Å; F53-E129 HydrophobicContact CE2-CG 4.13Å; F53-E129 HydrophobicContact CZ-CG 4.38Å; F53-L133 HydrophobicContact CB-CD2 3.69Å; F53-L133 HydrophobicContact CB-CG 4.47Å; F53-L133 HydrophobicContact CD1-CD1 4.26Å; F53-L133 HydrophobicContact CD1-CD2 4.45Å; F53-L133 HydrophobicContact CD2-CD1 3.91Å; F53-L133 HydrophobicContact CD2-CD2 3.85Å; F53-L133 HydrophobicContact CD2-CG 3.66Å; F53-L133 HydrophobicContact CE1-CD1 4.21Å; F53-L133 HydrophobicContact CE2-CD1 3.86Å; F53-L133 HydrophobicContact CE2-CG 3.98Å; F53-L133 HydrophobicContact CG-CD1 4.12Å; F53-L133 HydrophobicContact CG-CD2 3.76Å; F53-L133 HydrophobicContact CG-CG 4.04Å; F53-L133 HydrophobicContact CZ-CD1 4.01Å |
| 54 | G | 97.2 | Very high | 96.2 | Very high | 18 Ų | 18 | 38.5 Ų | 38.5 | 19% | 0.186 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.9 | -55.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | Y52 Y56 A57 R88 L94 | Y52-G54 PolarHBondContact O-N 3.41Å; G54-Y56 VanDerWaalsContact C-N 3.3Å; G54-Y56 PolarHBondContact O-N 3.11Å; G54-A57 PolarHBondContact O-N 3.28Å; G54-R88 PolarHBondContact O-NH2 2.88Å; G54-L94 VanDerWaalsContact CA-CD1 3.49Å |
| 55 | P | 97.2 | Very high | 96.2 | Very high | 104 Ų | 104 | 38.5 Ų | 38.5 | 68% | 0.675 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -63.6 | -30.1 | 179 | -26.2 | 35.6 | 0 | 0 | 0 | 114.5 | K51 Y52 | K51-P55 WeakPolarHBondContact O-CD 3.42Å; Y52-P55 WeakPolarHBondContact O-CD 3.35Å |
| 56 | Y | 98 | Very high | 96.2 | Very high | 42 Ų | 42 | 38.5 Ų | 38.5 | 17% | 0.165 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -93.4 | -1.8 | 179.2 | -70.5 | -110.1 | 0 | 0 | 0 | 112.9 | A13 K15 Y52 G54 | A13-Y56 WeakPolarHBondContact O-CE1 3.37Å; A13-Y56 PolarHBondContact O-OH 3.3Å; K15-Y56 HydrophobicContact CB-CD1 4.1Å; K15-Y56 HydrophobicContact CB-CE1 4.15Å; K15-Y56 WeakPolarHBondContact CE-O 3.39Å; K15-Y56 PolarHBondContact NZ-O 2.89Å; Y52-Y56 HydrophobicContact CD1-CD2 4.48Å; Y52-Y56 AromaticContact CD1-CE2 3.89Å; Y52-Y56 HydrophobicContact CD1-CE2 3.89Å; Y52-Y56 WeakPolarHBondContact O-CB 3.34Å; Y52-Y56 WeakPolarHBondContact O-CD2 3.4Å; Y52-Y56 PolarHBondContact O-N 3.11Å; G54-Y56 VanDerWaalsContact C-N 3.3Å; G54-Y56 PolarHBondContact O-N 3.11Å |
| 57 | A | 98.2 | Very high | 96.2 | Very high | 17 Ų | 17 | 43.3 Ų | 43.3 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | trans | -68.7 | 139.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F53 G54 P86 R88 L94 | F53-A57 WeakPolarHBondContact O-CB 3.36Å; F53-A57 PolarHBondContact O-N 3.29Å; G54-A57 PolarHBondContact O-N 3.28Å; A57-P86 VanDerWaalsContact CA-O 3.23Å; A57-P86 WeakPolarHBondContact CA-O 3.37Å; A57-P86 HydrophobicContact CB-CB 4.17Å; A57-R88 HydrophobicContact CB-CB 4.03Å; A57-L94 HydrophobicContact CB-CD2 3.64Å | ||
| 58 | E | 98.1 | Very high | 96.3 | Very high | 12 Ų | 12 | 44.2 Ų | 44.2 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -117.9 | 151.7 | 176.5 | -72 | 172.1 | -152.1 | 0 | 0 | 111.2 | K15 P64 S65 I85 P86 E87 R88 | K15-E58 WeakPolarHBondContact CD-OE1 3.42Å; K15-E58 WeakPolarHBondContact CE-OE1 3.44Å; K15-E58 IonicContact NZ-OE1 3.62Å; K15-E58 PolarHBondContact NZ-OE1 3.26Å; E58-P64 VanDerWaalsContact OE2-CD 3.22Å; E58-P64 WeakPolarHBondContact OE2-CD 3.38Å; E58-S65 PolarHBondContact OE1-OG 3.12Å; E58-S65 WeakPolarHBondContact OE2-CB 3.48Å; E58-S65 PolarHBondContact OE2-N 3.44Å; E58-S65 PolarHBondContact OE2-OG 3.05Å; E58-I85 HydrophobicContact CB-CD1 4.43Å; E58-P86 PolarHBondContact N-O 2.61Å; E58-E87 CarbonylContact O-C 3.59Å; E58-E87 WeakPolarHBondContact O-CA 3.43Å; E58-R88 PolarHBondContact O-N 2.91Å |
| 59 | A | 97 | Very high | 96.4 | Very high | 56 Ų | 56 | 43.5 Ų | 43.5 | 46% | 0.463 | 25% | 0.254 | S | S | . | . | trans | -70.1 | 131.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | N62 G63 | A59-N62 PolarHBondContact O-N 2.97Å; A59-G63 PolarHBondContact O-N 3.41Å | ||
| 60 | V | 95.2 | Very high | 96.7 | Very high | 21 Ų | 21 | 44.4 Ų | 44.4 | 13% | 0.127 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 132.6 | 176.7 | 177 | 0 | 0 | 0 | 0 | 108.7 | I85 E87 L110 | V60-I85 HydrophobicContact CG2-CD1 3.88Å; V60-I85 HydrophobicContact CG2-CG1 4.37Å; V60-E87 HydrophobicContact CB-CG 4.06Å; V60-E87 HydrophobicContact CG2-CB 3.93Å; V60-E87 HydrophobicContact CG2-CG 3.78Å; V60-L110 HydrophobicContact CB-CD1 4.45Å; V60-L110 HydrophobicContact CG1-CD1 3.61Å; V60-L110 HydrophobicContact CG1-CD2 3.38Å; V60-L110 HydrophobicContact CG1-CG 4.15Å |
| 61 | P | 94.3 | Very high | 97.1 | Very high | 53 Ų | 53 | 46.1 Ų | 46.1 | 34% | 0.344 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -95.9 | 11.8 | 6.8 | 37.7 | -35.4 | 0 | 0 | 0 | 115.5 | G63 C66 L107 | P61-G63 VanDerWaalsContact C-N 3.34Å; P61-G63 PolarHBondContact O-N 2.95Å; P61-C66 HydrophobicContact CB-CB 4.44Å; P61-C66 WeakPolarHBondContact O-CB 3.42Å; P61-L107 HydrophobicContact CB-CD2 3.89Å; P61-L107 HydrophobicContact CG-CD2 4.09Å |
| 62 | N | 92.2 | Very high | 97.3 | Very high | 148 Ų | 148 | 40.1 Ų | 40.1 | 79% | 0.791 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 9.4 | -168.1 | -59.2 | -35.8 | 0 | 0 | 0 | 114.9 | A59 | A59-N62 PolarHBondContact O-N 2.97Š|
| 63 | G | 96.7 | Very high | 97.4 | Very high | 7 Ų | 7 | 37.9 Ų | 37.9 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -83.9 | 160.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A59 P61 S65 C66 Q67 | A59-G63 PolarHBondContact O-N 3.41Å; P61-G63 VanDerWaalsContact C-N 3.34Å; P61-G63 PolarHBondContact O-N 2.95Å; G63-S65 PolarHBondContact O-N 3.25Å; G63-C66 PolarHBondContact O-N 2.85Å; G63-C66 VanDerWaalsContact O-N 3.11Å; G63-Q67 PolarHBondContact O-N 3.42Å |
| 64 | P | 97.8 | Very high | 97.6 | Very high | 78 Ų | 78 | 43.4 Ų | 43.4 | 51% | 0.506 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.5 | -33.6 | 179.1 | 24.2 | -35.4 | 0 | 0 | 0 | 113.2 | I19 E58 M68 | I19-P64 HydrophobicContact CD1-CB 4.29Å; I19-P64 HydrophobicContact CD1-CG 4.4Å; E58-P64 VanDerWaalsContact OE2-CD 3.22Å; E58-P64 WeakPolarHBondContact OE2-CD 3.38Å; P64-M68 PolarHBondContact O-N 3.48Å |
| 65 | S | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.4 | -44 | 177.9 | -54.1 | 0 | 0 | 0 | 0 | 111.1 | I19 T45 E58 G63 M68 L69 | I19-S65 WeakPolarHBondContact CD1-OG 3.18Å; T45-S65 VanDerWaalsContact CG2-OG 3.31Å; T45-S65 WeakPolarHBondContact CG2-OG 3.39Å; E58-S65 PolarHBondContact OE1-OG 3.12Å; E58-S65 WeakPolarHBondContact OE2-CB 3.48Å; E58-S65 PolarHBondContact OE2-N 3.44Å; E58-S65 PolarHBondContact OE2-OG 3.05Å; G63-S65 PolarHBondContact O-N 3.25Å; S65-M68 PolarHBondContact O-N 3.24Å; S65-L69 WeakPolarHBondContact O-CG 3.47Å; S65-L69 PolarHBondContact O-N 3.32Å |
| 66 | C | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.7 | -36.7 | 178.6 | -73 | 0 | 0 | 0 | 0 | 112.4 | P61 G63 L69 S70 Y101 | P61-C66 HydrophobicContact CB-CB 4.44Å; P61-C66 WeakPolarHBondContact O-CB 3.42Å; G63-C66 PolarHBondContact O-N 2.85Å; G63-C66 VanDerWaalsContact O-N 3.11Å; C66-L69 PolarHBondContact O-N 2.7Å; C66-S70 WeakPolarHBondContact O-CB 3.42Å; C66-S70 PolarHBondContact O-N 2.9Å; C66-Y101 WeakPolarHBondContact CA-OH 3.34Å; C66-Y101 WeakPolarHBondContact CB-OH 3.43Å; C66-Y101 PolarHBondContact O-OH 2.93Å; C66-Y101 PolarHBondContact SG-OH 2.99Å; C66-Y101 VanDerWaalsContact SG-OH 3.4Å |
| 67 | Q | 98.4 | Very high | 97.7 | Very high | 102 Ų | 102 | 49.4 Ų | 49.4 | 48% | 0.477 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.9 | -49.3 | 173.3 | -173.7 | 59.5 | 56 | 0 | 0 | 111.2 | G63 L69 S70 D71 | G63-Q67 PolarHBondContact O-N 3.42Å; Q67-L69 VanDerWaalsContact C-N 3.33Å; Q67-L69 PolarHBondContact O-N 3.42Å; Q67-S70 PolarHBondContact O-N 3.27Å; Q67-D71 VanDerWaalsContact NE2-CG 3.25Å; Q67-D71 PolarHBondContact NE2-OD1 3.04Å; Q67-D71 PolarHBondContact NE2-OD2 3.46Å; Q67-D71 WeakPolarHBondContact O-CB 3.38Å; Q67-D71 VanDerWaalsContact O-CG 3.24Å; Q67-D71 PolarHBondContact O-N 2.83Å |
| 68 | M | 98.6 | Very high | 97.7 | Very high | 22 Ų | 22 | 48.8 Ų | 48.8 | 11% | 0.108 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 175.9 | 177.9 | -78.3 | -62.6 | 0 | 0 | 111.8 | I19 A22 I26 F44 P64 S65 D71 A72 | I19-M68 HydrophobicContact CG2-CB 3.68Å; I19-M68 HydrophobicContact CG2-CE 4.07Å; I19-M68 HydrophobicContact CG2-CG 3.71Å; A22-M68 HydrophobicContact CB-CE 3.99Å; I26-M68 HydrophobicContact CD1-SD 4.37Å; F44-M68 HydrophobicContact CE2-CE 3.72Å; F44-M68 HydrophobicContact CZ-CE 3.9Å; P64-M68 PolarHBondContact O-N 3.48Å; S65-M68 PolarHBondContact O-N 3.24Å; M68-D71 PolarHBondContact O-N 3.47Å; M68-A72 VanDerWaalsContact O-CB 3.26Å; M68-A72 WeakPolarHBondContact O-CB 3.23Å; M68-A72 PolarHBondContact O-N 2.93Å; M68-A72 HydrophobicContact SD-CB 4.33Å |
| 69 | L | 98.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 179.4 | -69.3 | 167.6 | 0 | 0 | 0 | 112.1 | L40 F44 S65 C66 Q67 A72 A73 L80 Y101 | L40-L69 HydrophobicContact CD1-CD2 3.67Å; F44-L69 HydrophobicContact CE1-CD1 4.18Å; F44-L69 HydrophobicContact CZ-CD1 4.12Å; F44-L69 HydrophobicContact CZ-CD2 4.14Å; F44-L69 HydrophobicContact CZ-CG 4.26Å; S65-L69 WeakPolarHBondContact O-CG 3.47Å; S65-L69 PolarHBondContact O-N 3.32Å; C66-L69 PolarHBondContact O-N 2.7Å; Q67-L69 VanDerWaalsContact C-N 3.33Å; Q67-L69 PolarHBondContact O-N 3.42Å; L69-A72 PolarHBondContact O-N 2.73Å; L69-A73 WeakPolarHBondContact O-CB 3.46Å; L69-A73 PolarHBondContact O-N 2.73Å; L69-L80 HydrophobicContact CB-CD2 4.11Å; L69-L80 HydrophobicContact CD2-CD2 3.61Å; L69-L80 HydrophobicContact CD2-CG 4.18Å; L69-L80 HydrophobicContact CG-CD2 4.49Å; L69-L80 WeakPolarHBondContact O-CD2 3.31Å; L69-Y101 HydrophobicContact CB-CD2 3.79Å; L69-Y101 HydrophobicContact CB-CE2 3.45Å; L69-Y101 VanDerWaalsContact CB-CE2 3.45Å; L69-Y101 HydrophobicContact CD1-CE2 3.92Å; L69-Y101 HydrophobicContact CG-CE2 4.32Å |
| 70 | S | 98.8 | Very high | 97.9 | Very high | 27 Ų | 27 | 47.1 Ų | 47.1 | 19% | 0.189 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.1 | -50.1 | 174.8 | 162.6 | 0 | 0 | 0 | 0 | 111.2 | C66 Q67 A72 A73 K74 G105 | C66-S70 WeakPolarHBondContact O-CB 3.42Å; C66-S70 PolarHBondContact O-N 2.9Å; Q67-S70 PolarHBondContact O-N 3.27Å; S70-A72 PolarHBondContact O-N 2.85Å; S70-A73 PolarHBondContact O-N 2.86Å; S70-K74 WeakPolarHBondContact O-CB 3.31Å; S70-K74 PolarHBondContact O-N 3.5Å; S70-G105 WeakPolarHBondContact O-CA 3.16Å; S70-G105 PolarHBondContact OG-O 3.01Å |
| 71 | D | 98.8 | Very high | 98 | Very high | 81 Ų | 81 | 46.1 Ų | 46.1 | 43% | 0.433 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.7 | -42.6 | -178 | -68 | -23.9 | 0 | 0 | 0 | 111.7 | Q67 M68 K74 L75 | Q67-D71 VanDerWaalsContact NE2-CG 3.25Å; Q67-D71 PolarHBondContact NE2-OD1 3.04Å; Q67-D71 PolarHBondContact NE2-OD2 3.46Å; Q67-D71 WeakPolarHBondContact O-CB 3.38Å; Q67-D71 VanDerWaalsContact O-CG 3.24Å; Q67-D71 PolarHBondContact O-N 2.83Å; M68-D71 PolarHBondContact O-N 3.47Å; D71-K74 PolarHBondContact O-N 2.96Å; D71-L75 WeakPolarHBondContact O-CB 3.32Å; D71-L75 PolarHBondContact O-N 2.89Å |
| 72 | A | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.5 | -44.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | I26 M68 L69 S70 K74 L75 H76 L80 | I26-A72 HydrophobicContact CD1-CB 4.21Å; I26-A72 HydrophobicContact CG2-CB 4.27Å; M68-A72 VanDerWaalsContact O-CB 3.26Å; M68-A72 WeakPolarHBondContact O-CB 3.23Å; M68-A72 PolarHBondContact O-N 2.93Å; M68-A72 HydrophobicContact SD-CB 4.33Å; L69-A72 PolarHBondContact O-N 2.73Å; S70-A72 PolarHBondContact O-N 2.85Å; A72-K74 VanDerWaalsContact C-N 3.34Å; A72-K74 PolarHBondContact O-N 3.43Å; A72-L75 PolarHBondContact O-N 3Å; A72-H76 WeakPolarHBondContact O-CB 3.49Å; A72-H76 PolarHBondContact O-CD2 3.22Å; A72-H76 VanDerWaalsContact O-CD2 3.28Å; A72-H76 PolarHBondContact O-N 2.95Å; A72-L80 HydrophobicContact CB-CD2 4.37Å |
| 73 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.6 | -44.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L69 S70 K77 I78 L80 | L69-A73 WeakPolarHBondContact O-CB 3.46Å; L69-A73 PolarHBondContact O-N 2.73Å; S70-A73 PolarHBondContact O-N 2.86Å; A73-K77 WeakPolarHBondContact O-CA 3.31Å; A73-K77 PolarHBondContact O-N 2.94Å; A73-I78 PolarHBondContact O-N 3.41Å; A73-L80 HydrophobicContact CB-CB 3.94Å; A73-L80 HydrophobicContact CB-CD2 4.26Å |
| 74 | K | 98.8 | Very high | 98.6 | Very high | 116 Ų | 116 | 36.3 Ų | 36.3 | 50% | 0.504 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -67.2 | -45.2 | 178 | -173.4 | 176.2 | -176.2 | 172.3 | 0 | 113.2 | S70 D71 A72 H76 K77 D104 | S70-K74 WeakPolarHBondContact O-CB 3.31Å; S70-K74 PolarHBondContact O-N 3.5Å; D71-K74 PolarHBondContact O-N 2.96Å; A72-K74 VanDerWaalsContact C-N 3.34Å; A72-K74 PolarHBondContact O-N 3.43Å; K74-H76 VanDerWaalsContact C-N 3.34Å; K74-K77 WeakPolarHBondContact O-CD 3.34Å; K74-D104 WeakPolarHBondContact CD-O 3.47Å; K74-D104 WeakPolarHBondContact CG-O 3.23Å |
| 75 | L | 98.7 | Very high | 98.7 | Very high | 132 Ų | 132 | 32.9 Ų | 32.9 | 69% | 0.691 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -61.7 | -44.4 | -178.9 | 176.5 | 63.1 | 0 | 0 | 0 | 111 | D71 A72 | D71-L75 WeakPolarHBondContact O-CB 3.32Å; D71-L75 PolarHBondContact O-N 2.89Å; A72-L75 PolarHBondContact O-N 3Å |
| 76 | H | 98.7 | Very high | 98.7 | Very high | 41 Ų | 41 | 32.9 Ų | 32.9 | 19% | 0.19 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -93.2 | -5 | -175.1 | -66.4 | -60.1 | 0 | 0 | 0 | 114.4 | S27 V30 A72 K74 I78 | S27-H76 WeakPolarHBondContact CA-NE2 3.39Å; S27-H76 PolarHBondContact OG-CE1 2.92Å; S27-H76 PolarHBondContact OG-NE2 2.96Å; V30-H76 HydrophobicContact CB-CB 4.37Å; V30-H76 HydrophobicContact CG1-CB 4.09Å; V30-H76 HydrophobicContact CG2-CB 3.75Å; A72-H76 WeakPolarHBondContact O-CB 3.49Å; A72-H76 PolarHBondContact O-CD2 3.22Å; A72-H76 VanDerWaalsContact O-CD2 3.28Å; A72-H76 PolarHBondContact O-N 2.95Å; K74-H76 VanDerWaalsContact C-N 3.34Å; H76-I78 VanDerWaalsContact C-N 3.33Å; H76-I78 HydrophobicContact CB-CD1 4.3Å; H76-I78 HydrophobicContact CB-CG1 4.06Å; H76-I78 HydrophobicContact CB-CG2 4.35Å; H76-I78 PolarHBondContact O-N 3.43Å |
| 77 | K | 98.4 | Very high | 98.7 | Very high | 117 Ų | 117 | 33 Ų | 33 | 51% | 0.509 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 45.7 | -178.8 | -62.8 | -56.7 | -170.7 | -178.7 | 0 | 113.2 | A73 K74 P103 D104 | A73-K77 WeakPolarHBondContact O-CA 3.31Å; A73-K77 PolarHBondContact O-N 2.94Å; K74-K77 WeakPolarHBondContact O-CD 3.34Å; K77-P103 WeakPolarHBondContact CD-O 3.33Å; K77-P103 PolarHBondContact NZ-O 3.18Å; K77-D104 IonicContact NZ-OD1 2.68Å; K77-D104 PolarHBondContact NZ-OD1 3.06Å |
| 78 | I | 98.7 | Very high | 98.6 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | trans | -120.2 | 159 | -179.7 | 58.4 | 168.8 | 0 | 0 | 0 | 111.8 | I26 V30 P35 V38 A73 H76 N102 P103 | I26-I78 HydrophobicContact CG2-CD1 3.86Å; V30-I78 HydrophobicContact CG2-CD1 3.98Å; V30-I78 HydrophobicContact CG2-CG2 4.06Å; P35-I78 VanDerWaalsContact O-CG2 3.29Å; P35-I78 WeakPolarHBondContact O-CG2 3.43Å; V38-I78 HydrophobicContact CB-CD1 3.92Å; V38-I78 HydrophobicContact CG2-CD1 3.47Å; V38-I78 VanDerWaalsContact CG2-CD1 3.47Å; A73-I78 PolarHBondContact O-N 3.41Å; H76-I78 VanDerWaalsContact C-N 3.33Å; H76-I78 HydrophobicContact CB-CD1 4.3Å; H76-I78 HydrophobicContact CB-CG1 4.06Å; H76-I78 HydrophobicContact CB-CG2 4.35Å; H76-I78 PolarHBondContact O-N 3.43Å; I78-N102 CarbonylContact O-C 3.58Å; I78-P103 WeakPolarHBondContact O-CA 3.25Å | ||
| 79 | W | 98.8 | Very high | 98.5 | Very high | 33 Ų | 33 | 32.7 Ų | 32.7 | 13% | 0.125 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 136.5 | 159.6 | -69.9 | 82.7 | 0 | 0 | 0 | 109.4 | H36 L37 V38 N102 P103 V108 F142 E143 I144 | H36-W79 PolarHBondContact O-N 2.68Å; L37-W79 WeakPolarHBondContact CA-O 3.36Å; L37-W79 HydrophobicContact CB-CB 4.47Å; L37-W79 HydrophobicContact CD1-CB 3.54Å; V38-W79 PolarHBondContact N-O 2.73Å; W79-N102 HydrophobicContact CE3-CB 4.23Å; W79-N102 HydrophobicContact CH2-CB 3.88Å; W79-N102 HydrophobicContact CZ2-CB 4.23Å; W79-N102 HydrophobicContact CZ3-CB 3.91Å; W79-P103 HydrophobicContact CG-CG 4.32Å; W79-V108 HydrophobicContact CH2-CG2 4.39Å; W79-V108 HydrophobicContact CZ3-CG1 4.38Å; W79-V108 HydrophobicContact CZ3-CG2 3.78Å; W79-F142 HydrophobicContact CD2-CE2 4.26Å; W79-F142 AromaticContact CE3-CD2 3.56Å; W79-F142 HydrophobicContact CE3-CD2 3.56Å; W79-F142 AromaticContact CE3-CE2 3.53Å; W79-F142 HydrophobicContact CE3-CE2 3.53Å; W79-F142 HydrophobicContact CH2-CD2 4.43Å; W79-F142 AromaticContact CZ3-CD2 3.48Å; W79-F142 HydrophobicContact CZ3-CD2 3.48Å; W79-F142 VanDerWaalsContact CZ3-CD2 3.48Å; W79-F142 AromaticContact CZ3-CE2 3.98Å; W79-F142 HydrophobicContact CZ3-CE2 3.98Å; W79-F142 HydrophobicContact CZ3-CG 4.46Å; W79-E143 WeakPolarHBondContact CH2-O 3.24Å; W79-E143 WeakPolarHBondContact CZ2-O 3.33Å; W79-I144 HydrophobicContact CB-CD1 4.32Å; W79-I144 HydrophobicContact CD2-CD1 4.45Å; W79-I144 HydrophobicContact CD2-CG1 3.85Å; W79-I144 HydrophobicContact CE3-CG1 4.25Å; W79-I144 HydrophobicContact CG-CD1 4.15Å; W79-I144 HydrophobicContact CG-CG1 3.99Å; W79-I144 HydrophobicContact CG-CG2 4.38Å |
| 80 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 114.4 | -177.8 | -177.3 | 60.9 | 0 | 0 | 0 | 111 | I26 V38 L69 A72 A73 T100 Y101 | I26-L80 HydrophobicContact CD1-CD1 4.03Å; I26-L80 HydrophobicContact CD1-CD2 3.99Å; I26-L80 HydrophobicContact CG1-CD1 4.33Å; V38-L80 HydrophobicContact CB-CD1 3.8Å; V38-L80 HydrophobicContact CG1-CD1 3.84Å; V38-L80 WeakPolarHBondContact O-CA 3.23Å; L69-L80 HydrophobicContact CB-CD2 4.11Å; L69-L80 HydrophobicContact CD2-CD2 3.61Å; L69-L80 HydrophobicContact CD2-CG 4.18Å; L69-L80 HydrophobicContact CG-CD2 4.49Å; L69-L80 WeakPolarHBondContact O-CD2 3.31Å; A72-L80 HydrophobicContact CB-CD2 4.37Å; A73-L80 HydrophobicContact CB-CB 3.94Å; A73-L80 HydrophobicContact CB-CD2 4.26Å; L80-T100 WeakPolarHBondContact O-CA 3.37Å; L80-Y101 PolarHBondContact N-O 2.91Å; L80-Y101 PolarHBondContact O-N 2.92Å |
| 81 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 104.4 | 165.5 | 175.8 | 0 | 0 | 0 | 0 | 106.8 | L37 V38 C39 L40 G83 T100 F142 I160 L185 P187 | L37-V81 HydrophobicContact CD1-CG2 4.08Å; V38-V81 PolarHBondContact O-N 2.83Å; C39-V81 WeakPolarHBondContact CA-O 3.45Å; C39-V81 HydrophobicContact CB-CB 4.28Å; L40-V81 PolarHBondContact N-O 3.04Å; V81-G83 PolarHBondContact O-N 3.21Å; V81-T100 HydrophobicContact CG2-CG2 4.12Å; V81-F142 HydrophobicContact CG2-CE1 3.96Å; V81-F142 HydrophobicContact CG2-CZ 3.79Å; V81-I160 HydrophobicContact CG1-CD1 4.05Å; V81-I160 HydrophobicContact CG2-CD1 4.03Å; V81-L185 HydrophobicContact CB-CD1 4.47Å; V81-L185 HydrophobicContact CG2-CD1 3.91Å; V81-P187 HydrophobicContact CG1-CG 4.12Å |
| 82 | G | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | trans | -73.6 | 33.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | F44 S84 A99 | F44-G82 WeakPolarHBondContact CD1-O 3.5Å; F44-G82 VanDerWaalsContact CE1-O 3.23Å; F44-G82 WeakPolarHBondContact CE1-O 3.14Å; G82-S84 PolarHBondContact O-N 3.21Å; G82-A99 WeakPolarHBondContact CA-O 3.17Å; G82-A99 PolarHBondContact N-O 3.26Å | ||
| 83 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | 56.7 | -125.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L40 P41 V81 C98 | L40-G83 VanDerWaalsContact C-CA 3.48Å; L40-G83 WeakPolarHBondContact O-CA 3.17Å; P41-G83 CarbonylContact O-C 3.59Å; P41-G83 WeakPolarHBondContact O-CA 3.16Å; V81-G83 PolarHBondContact O-N 3.21Å; G83-C98 WeakPolarHBondContact O-CA 3.18Å; G83-C98 WeakPolarHBondContact O-CB 3.36Å; G83-C98 PolarHBondContact O-SG 3.24Å | ||
| 84 | S | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -144.4 | 160.8 | 160.1 | 77.7 | 0 | 0 | 0 | 0 | 113.3 | P41 E42 C43 F44 G82 N96 C97 | P41-S84 PolarHBondContact O-N 3.15Å; E42-S84 WeakPolarHBondContact CA-OG 3.36Å; E42-S84 WeakPolarHBondContact CG-OG 3.26Å; C43-S84 CarbonylContact C-O 3.57Å; C43-S84 WeakPolarHBondContact CA-O 3Å; C43-S84 PolarHBondContact N-O 3.03Å; C43-S84 PolarHBondContact N-OG 2.77Å; F44-S84 PolarHBondContact N-O 3.25Å; F44-S84 VanDerWaalsContact N-O 3.17Å; G82-S84 PolarHBondContact O-N 3.21Å; S84-N96 WeakPolarHBondContact CB-OD1 3.46Å; S84-N96 PolarHBondContact OG-OD1 2.95Å; S84-C97 CarbonylContact C-O 3.52Å; S84-C97 WeakPolarHBondContact CA-O 3.4Å; S84-C97 WeakPolarHBondContact CB-O 2.97Å | ||
| 85 | I | 98.5 | Very high | 97.8 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 155.8 | 172.1 | 66.5 | 176.8 | 0 | 0 | 0 | 110 | F44 T45 E58 V60 E87 C97 | F44-I85 HydrophobicContact CD1-CG2 3.9Å; F44-I85 HydrophobicContact CE1-CG2 3.44Å; F44-I85 VanDerWaalsContact CE1-CG2 3.44Å; F44-I85 HydrophobicContact CZ-CG2 4.17Å; T45-I85 HydrophobicContact CG2-CG2 3.56Å; E58-I85 HydrophobicContact CB-CD1 4.43Å; V60-I85 HydrophobicContact CG2-CD1 3.88Å; V60-I85 HydrophobicContact CG2-CG1 4.37Å; I85-E87 PolarHBondContact O-N 2.87Å; I85-C97 PolarHBondContact N-O 3.48Å; I85-C97 PolarHBondContact O-N 2.56Å |
| 86 | P | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 119.5 | 164 | -15.1 | 30.2 | 0 | 0 | 0 | 108.7 | F53 A57 E58 Y95 | F53-P86 HydrophobicContact CB-CB 4.41Å; F53-P86 HydrophobicContact CD1-CB 4.35Å; F53-P86 HydrophobicContact CD1-CG 4Å; F53-P86 WeakPolarHBondContact O-CB 3.43Å; A57-P86 VanDerWaalsContact CA-O 3.23Å; A57-P86 WeakPolarHBondContact CA-O 3.37Å; A57-P86 HydrophobicContact CB-CB 4.17Å; E58-P86 PolarHBondContact N-O 2.61Å; P86-Y95 CarbonylContact C-O 3.52Å; P86-Y95 WeakPolarHBondContact CA-O 3.29Å |
| 87 | E | 98.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 138.3 | 176.3 | 170 | -168.2 | -169.2 | 0 | 0 | 109.2 | E58 V60 I85 L94 Y95 C97 R112 | E58-E87 CarbonylContact O-C 3.59Å; E58-E87 WeakPolarHBondContact O-CA 3.43Å; V60-E87 HydrophobicContact CB-CG 4.06Å; V60-E87 HydrophobicContact CG2-CB 3.93Å; V60-E87 HydrophobicContact CG2-CG 3.78Å; I85-E87 PolarHBondContact O-N 2.87Å; E87-L94 CarbonylContact O-C 3.59Å; E87-L94 WeakPolarHBondContact O-CA 3.45Å; E87-Y95 PolarHBondContact N-O 2.85Å; E87-Y95 PolarHBondContact O-N 3.47Å; E87-C97 HydrophobicContact CB-CB 3.57Å; E87-C97 HydrophobicContact CG-CB 4.37Å; E87-C97 WeakPolarHBondContact OE2-CB 3.35Å; E87-R112 IonicContact OE1-CZ 2.67Å; E87-R112 IonicContact OE1-NE 3.01Å; E87-R112 IonicContact OE1-NH2 3.22Å; E87-R112 PolarHBondContact OE1-NH2 2.92Å; E87-R112 IonicContact OE2-CZ 3.4Å; E87-R112 IonicContact OE2-NE 2.64Å; E87-R112 PolarHBondContact OE2-NE 2.96Å; E87-R112 IonicContact OE2-NH2 3.31Å; E87-R112 PolarHBondContact OE2-NH2 3.31Å |
| 88 | R | 97.9 | Very high | 97.8 | Very high | 114 Ų | 114 | 26.7 Ų | 26.7 | 43% | 0.43 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 104.4 | 160.7 | -172.2 | 172 | -61.7 | -82.1 | -1.3 | 108.3 | G54 A57 E58 L94 | G54-R88 PolarHBondContact O-NH2 2.88Å; A57-R88 HydrophobicContact CB-CB 4.03Å; E58-R88 PolarHBondContact O-N 2.91Å; R88-L94 HydrophobicContact CB-CD2 4.13Å; R88-L94 HydrophobicContact CG-CD2 4.24Å |
| 89 | G | 96.5 | Very high | 97.8 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 4% | 0.041 | 15% | 0.147 | C | C | . | . | trans | -68.8 | 162.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D91 G92 K93 | G89-D91 PolarHBondContact O-N 2.67Å; G89-G92 PolarHBondContact O-N 3.01Å; G89-K93 PolarHBondContact N-O 2.95Å | ||
| 90 | P | 94 | Very high | 97.8 | Very high | 131 Ų | 131 | 25.1 Ų | 25.1 | 85% | 0.851 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -17.4 | 178.2 | 27.1 | -34.9 | 0 | 0 | 0 | 113.3 | ||
| 91 | D | 94.6 | Very high | 97.8 | Very high | 78 Ų | 78 | 25.4 Ų | 25.4 | 42% | 0.417 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 7.2 | 172.6 | 68.6 | -15.7 | 0 | 0 | 0 | 113.2 | G89 K93 Y95 | G89-D91 PolarHBondContact O-N 2.67Å; D91-K93 PolarHBondContact O-N 3.17Å; D91-K93 WeakPolarHBondContact OD1-CB 3.3Å; D91-K93 PolarHBondContact OD1-N 3.13Å; D91-K93 WeakPolarHBondContact OD2-CD 3.33Å; D91-Y95 PolarHBondContact OD2-OH 3.26Å |
| 92 | G | 95.2 | Very high | 97.8 | Very high | 48 Ų | 48 | 26.4 Ų | 26.4 | 50% | 0.495 | 15% | 0.147 | S | C | . | . | S | Bend | trans | 78.5 | -5.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G89 | G89-G92 PolarHBondContact O-N 3.01Š|
| 93 | K | 97.5 | Very high | 97.8 | Very high | 107 Ų | 107 | 27.8 Ų | 27.8 | 47% | 0.465 | 16% | 0.156 | S | C | . | . | trans | -80.1 | 160.8 | 178.4 | -61 | -175 | -174.8 | -178.9 | 0 | 111.2 | G89 D91 Y95 S134 | G89-K93 PolarHBondContact N-O 2.95Å; D91-K93 PolarHBondContact O-N 3.17Å; D91-K93 WeakPolarHBondContact OD1-CB 3.3Å; D91-K93 PolarHBondContact OD1-N 3.13Å; D91-K93 WeakPolarHBondContact OD2-CD 3.33Å; K93-Y95 HydrophobicContact CB-CE2 3.88Å; K93-S134 WeakPolarHBondContact CD-OG 3.42Å | ||
| 94 | L | 98.4 | Very high | 97.8 | Very high | 21 Ų | 21 | 32 Ų | 32 | 11% | 0.11 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 144.4 | 174.9 | -56 | 179.5 | 0 | 0 | 0 | 110.6 | F53 G54 A57 E87 R88 S132 L133 S134 | F53-L94 HydrophobicContact CB-CD1 4.44Å; G54-L94 VanDerWaalsContact CA-CD1 3.49Å; A57-L94 HydrophobicContact CB-CD2 3.64Å; E87-L94 CarbonylContact O-C 3.59Å; E87-L94 WeakPolarHBondContact O-CA 3.45Å; R88-L94 HydrophobicContact CB-CD2 4.13Å; R88-L94 HydrophobicContact CG-CD2 4.24Å; L94-S132 WeakPolarHBondContact CB-O 3.49Å; L94-L133 HydrophobicContact CB-CD2 3.51Å; L94-L133 CarbonylContact O-C 3.59Å; L94-L133 WeakPolarHBondContact O-CA 3.38Å; L94-S134 PolarHBondContact O-N 3.31Å |
| 95 | Y | 98.5 | Very high | 97.8 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 2% | 0.024 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 156.4 | 178.5 | -61.3 | -84.1 | 0 | 0 | 0 | 110.8 | P86 E87 D91 K93 R112 S134 S135 | P86-Y95 CarbonylContact C-O 3.52Å; P86-Y95 WeakPolarHBondContact CA-O 3.29Å; E87-Y95 PolarHBondContact N-O 2.85Å; E87-Y95 PolarHBondContact O-N 3.47Å; D91-Y95 PolarHBondContact OD2-OH 3.26Å; K93-Y95 HydrophobicContact CB-CE2 3.88Å; Y95-R112 HydrophobicContact CD1-CB 4.26Å; Y95-R112 HydrophobicContact CD1-CG 4.14Å; Y95-R112 HydrophobicContact CG-CG 4.08Å; Y95-S134 WeakPolarHBondContact CD1-O 3.19Å; Y95-S135 WeakPolarHBondContact CE1-O 3.45Å |
| 96 | N | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 105.7 | 163.4 | -172.6 | -23.7 | 0 | 0 | 0 | 106.9 | E42 S84 R112 K113 E129 L133 | E42-N96 PolarHBondContact OE1-ND2 3.22Å; S84-N96 WeakPolarHBondContact CB-OD1 3.46Å; S84-N96 PolarHBondContact OG-OD1 2.95Å; N96-R112 WeakPolarHBondContact O-CA 3.4Å; N96-K113 HydrophobicContact CB-CB 3.86Å; N96-K113 HydrophobicContact CB-CD 4.02Å; N96-K113 WeakPolarHBondContact ND2-CD 3.31Å; N96-K113 PolarHBondContact O-N 3.11Å; N96-E129 PolarHBondContact ND2-OE1 2.86Å; N96-L133 HydrophobicContact CB-CD1 3.77Å |
| 97 | C | 98.3 | Very high | 97.8 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.3 | -165.6 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | S84 I85 E87 Y111 R112 | S84-C97 CarbonylContact C-O 3.52Å; S84-C97 WeakPolarHBondContact CA-O 3.4Å; S84-C97 WeakPolarHBondContact CB-O 2.97Å; I85-C97 PolarHBondContact N-O 3.48Å; I85-C97 PolarHBondContact O-N 2.56Å; E87-C97 HydrophobicContact CB-CB 3.57Å; E87-C97 HydrophobicContact CG-CB 4.37Å; E87-C97 WeakPolarHBondContact OE2-CB 3.35Å; C97-Y111 CarbonylContact C-O 3.54Å; C97-Y111 WeakPolarHBondContact CA-O 2.89Å; C97-R112 HydrophobicContact CB-CG 4.37Å |
| 98 | C | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 120 | 170.1 | 169 | 0 | 0 | 0 | 0 | 109.7 | G83 L110 Y111 I160 I162 | G83-C98 WeakPolarHBondContact O-CA 3.18Å; G83-C98 WeakPolarHBondContact O-CB 3.36Å; G83-C98 PolarHBondContact O-SG 3.24Å; C98-L110 CarbonylContact O-C 3.6Å; C98-L110 WeakPolarHBondContact O-CA 3.33Å; C98-Y111 PolarHBondContact N-O 3.22Å; C98-Y111 PolarHBondContact O-N 3.48Å; C98-I160 HydrophobicContact CB-CG2 4.22Å; C98-I162 HydrophobicContact CB-CD1 3.79Å; C98-I162 HydrophobicContact CB-CG1 4.18Å |
| 99 | A | 98.5 | Very high | 97.7 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 135.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | G82 Y101 L107 L110 | G82-A99 WeakPolarHBondContact CA-O 3.17Å; G82-A99 PolarHBondContact N-O 3.26Å; A99-Y101 HydrophobicContact CB-CE2 3.64Å; A99-L107 HydrophobicContact CB-CD1 3.87Å; A99-L110 HydrophobicContact CB-CD2 3.56Å |
| 100 | T | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 132.6 | 178.7 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | L80 V81 V108 G109 F142 | L80-T100 WeakPolarHBondContact O-CA 3.37Å; V81-T100 HydrophobicContact CG2-CG2 4.12Å; T100-V108 PolarHBondContact O-N 2.91Å; T100-G109 PolarHBondContact N-O 3.28Å; T100-F142 HydrophobicContact CG2-CD1 3.88Å; T100-F142 HydrophobicContact CG2-CD2 4.17Å; T100-F142 HydrophobicContact CG2-CE1 3.73Å; T100-F142 HydrophobicContact CG2-CE2 4Å; T100-F142 HydrophobicContact CG2-CG 4.1Å; T100-F142 HydrophobicContact CG2-CZ 3.79Å |
| 101 | Y | 98.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 2% | 0.02 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 144.4 | -176.8 | -60.2 | -93 | 0 | 0 | 0 | 111.5 | C66 L69 L80 A99 E106 L107 | C66-Y101 WeakPolarHBondContact CA-OH 3.34Å; C66-Y101 WeakPolarHBondContact CB-OH 3.43Å; C66-Y101 PolarHBondContact O-OH 2.93Å; C66-Y101 PolarHBondContact SG-OH 2.99Å; C66-Y101 VanDerWaalsContact SG-OH 3.4Å; L69-Y101 HydrophobicContact CB-CD2 3.79Å; L69-Y101 HydrophobicContact CB-CE2 3.45Å; L69-Y101 VanDerWaalsContact CB-CE2 3.45Å; L69-Y101 HydrophobicContact CD1-CE2 3.92Å; L69-Y101 HydrophobicContact CG-CE2 4.32Å; L80-Y101 PolarHBondContact N-O 2.91Å; L80-Y101 PolarHBondContact O-N 2.92Å; A99-Y101 HydrophobicContact CB-CE2 3.64Å; Y101-E106 VanDerWaalsContact CA-O 3.27Å; Y101-E106 WeakPolarHBondContact CA-O 3.41Å; Y101-L107 HydrophobicContact CD1-CB 4.3Å; Y101-L107 HydrophobicContact CD1-CD1 4.36Å; Y101-L107 HydrophobicContact CE1-CB 4Å; Y101-L107 HydrophobicContact CE1-CD1 3.84Å; Y101-L107 HydrophobicContact CE2-CD1 4.25Å |
| 102 | N | 98.7 | Very high | 98.1 | Very high | 21 Ų | 21 | 34.1 Ų | 34.1 | 11% | 0.112 | 19% | 0.188 | C | C | . | . | trans | -86.3 | 173 | 172.9 | 74 | 11.1 | 0 | 0 | 0 | 111.5 | I78 W79 D104 G105 E106 V108 | I78-N102 CarbonylContact O-C 3.58Å; W79-N102 HydrophobicContact CE3-CB 4.23Å; W79-N102 HydrophobicContact CH2-CB 3.88Å; W79-N102 HydrophobicContact CZ2-CB 4.23Å; W79-N102 HydrophobicContact CZ3-CB 3.91Å; N102-D104 PolarHBondContact O-N 3.35Å; N102-D104 WeakPolarHBondContact OD1-CA 3.38Å; N102-D104 PolarHBondContact OD1-N 3.46Å; N102-G105 PolarHBondContact O-N 3.33Å; N102-G105 PolarHBondContact OD1-N 2.94Å; N102-E106 PolarHBondContact N-O 3.42Å; N102-E106 PolarHBondContact ND2-OE2 3.05Å; N102-E106 WeakPolarHBondContact OD1-CB 3.47Å; N102-E106 PolarHBondContact OD1-N 3.4Å; N102-V108 HydrophobicContact CB-CG2 3.64Å | ||
| 103 | P | 98.6 | Very high | 98.3 | Very high | 30 Ų | 30 | 31.9 Ų | 31.9 | 20% | 0.195 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -10.1 | 177.6 | -28.7 | 38.1 | 0 | 0 | 0 | 116.4 | K77 I78 W79 | K77-P103 WeakPolarHBondContact CD-O 3.33Å; K77-P103 PolarHBondContact NZ-O 3.18Å; I78-P103 WeakPolarHBondContact O-CA 3.25Å; W79-P103 HydrophobicContact CG-CG 4.32Å |
| 104 | D | 98.5 | Very high | 98.3 | Very high | 89 Ų | 89 | 28.5 Ų | 28.5 | 48% | 0.476 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 0.6 | 175.6 | -65.5 | -44.7 | 0 | 0 | 0 | 112.6 | K74 K77 N102 E106 | K74-D104 WeakPolarHBondContact CD-O 3.47Å; K74-D104 WeakPolarHBondContact CG-O 3.23Å; K77-D104 IonicContact NZ-OD1 2.68Å; K77-D104 PolarHBondContact NZ-OD1 3.06Å; N102-D104 PolarHBondContact O-N 3.35Å; N102-D104 WeakPolarHBondContact OD1-CA 3.38Å; N102-D104 PolarHBondContact OD1-N 3.46Å; D104-E106 VanDerWaalsContact C-N 3.32Å; D104-E106 HydrophobicContact CB-CG 4.24Å |
| 105 | G | 98.4 | Very high | 98.3 | Very high | 7 Ų | 7 | 30.1 Ų | 30.1 | 7% | 0.072 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 83.1 | 8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S70 N102 | S70-G105 WeakPolarHBondContact O-CA 3.16Å; S70-G105 PolarHBondContact OG-O 3.01Å; N102-G105 PolarHBondContact O-N 3.33Å; N102-G105 PolarHBondContact OD1-N 2.94Å |
| 106 | E | 98.5 | Very high | 98.2 | Very high | 119 Ų | 119 | 31 Ų | 31 | 56% | 0.556 | 16% | 0.164 | S | C | * | . | trans | -81.3 | 137.7 | -178.1 | -51.8 | 175.4 | 142.7 | 0 | 0 | 110.1 | Y101 N102 D104 V108 | Y101-E106 VanDerWaalsContact CA-O 3.27Å; Y101-E106 WeakPolarHBondContact CA-O 3.41Å; N102-E106 PolarHBondContact N-O 3.42Å; N102-E106 PolarHBondContact ND2-OE2 3.05Å; N102-E106 WeakPolarHBondContact OD1-CB 3.47Å; N102-E106 PolarHBondContact OD1-N 3.4Å; D104-E106 VanDerWaalsContact C-N 3.32Å; D104-E106 HydrophobicContact CB-CG 4.24Å; E106-V108 PolarHBondContact O-N 3.38Å | ||
| 107 | L | 98.4 | Very high | 98.1 | Very high | 64 Ų | 64 | 31.5 Ų | 31.5 | 34% | 0.335 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 115.2 | 172.8 | -178.4 | 73.9 | 0 | 0 | 0 | 109.9 | P61 A99 Y101 L110 | P61-L107 HydrophobicContact CB-CD2 3.89Å; P61-L107 HydrophobicContact CG-CD2 4.09Å; A99-L107 HydrophobicContact CB-CD1 3.87Å; Y101-L107 HydrophobicContact CD1-CB 4.3Å; Y101-L107 HydrophobicContact CD1-CD1 4.36Å; Y101-L107 HydrophobicContact CE1-CB 4Å; Y101-L107 HydrophobicContact CE1-CD1 3.84Å; Y101-L107 HydrophobicContact CE2-CD1 4.25Å; L107-L110 HydrophobicContact CD1-CD2 3.74Å; L107-L110 HydrophobicContact CD2-CD1 4.5Å; L107-L110 HydrophobicContact CD2-CD2 4.01Å; L107-L110 HydrophobicContact CD2-CG 4.11Å; L107-L110 HydrophobicContact CG-CD2 4.4Å |
| 108 | V | 97.9 | Very high | 98 | Very high | 55 Ų | 55 | 34.5 Ų | 34.5 | 33% | 0.333 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -30 | 179.2 | -179 | 0 | 0 | 0 | 0 | 111.1 | W79 T100 N102 E106 F140 F142 | W79-V108 HydrophobicContact CH2-CG2 4.39Å; W79-V108 HydrophobicContact CZ3-CG1 4.38Å; W79-V108 HydrophobicContact CZ3-CG2 3.78Å; T100-V108 PolarHBondContact O-N 2.91Å; N102-V108 HydrophobicContact CB-CG2 3.64Å; E106-V108 PolarHBondContact O-N 3.38Å; V108-F140 HydrophobicContact CG1-CZ 4.33Å; V108-F142 HydrophobicContact CG1-CB 3.76Å |
| 109 | G | 97.1 | Very high | 97.8 | Very high | 15 Ų | 15 | 35.9 Ų | 35.9 | 16% | 0.155 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167 | 178.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | T100 | T100-G109 PolarHBondContact N-O 3.28Å |
| 110 | L | 96.4 | Very high | 97.5 | Very high | 59 Ų | 59 | 41.4 Ų | 41.4 | 31% | 0.309 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 135.2 | -176 | -59.2 | 178.2 | 0 | 0 | 0 | 109.4 | V60 C98 A99 L107 | V60-L110 HydrophobicContact CB-CD1 4.45Å; V60-L110 HydrophobicContact CG1-CD1 3.61Å; V60-L110 HydrophobicContact CG1-CD2 3.38Å; V60-L110 HydrophobicContact CG1-CG 4.15Å; C98-L110 CarbonylContact O-C 3.6Å; C98-L110 WeakPolarHBondContact O-CA 3.33Å; A99-L110 HydrophobicContact CB-CD2 3.56Å; L107-L110 HydrophobicContact CD1-CD2 3.74Å; L107-L110 HydrophobicContact CD2-CD1 4.5Å; L107-L110 HydrophobicContact CD2-CD2 4.01Å; L107-L110 HydrophobicContact CD2-CG 4.11Å; L107-L110 HydrophobicContact CG-CD2 4.4Å |
| 111 | Y | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 117.7 | 169.1 | 179 | -99.9 | 0 | 0 | 0 | 109.5 | C97 C98 L114 F140 I160 I162 D165 | C97-Y111 CarbonylContact C-O 3.54Å; C97-Y111 WeakPolarHBondContact CA-O 2.89Å; C98-Y111 PolarHBondContact N-O 3.22Å; C98-Y111 PolarHBondContact O-N 3.48Å; Y111-L114 HydrophobicContact CE2-CD1 4.06Å; Y111-L114 HydrophobicContact CE2-CG 3.96Å; Y111-L114 WeakPolarHBondContact OH-CG 3.32Å; Y111-F140 HydrophobicContact CD2-CB 3.74Å; Y111-F140 HydrophobicContact CG-CB 4.21Å; Y111-I160 HydrophobicContact CD1-CG2 3.71Å; Y111-I160 HydrophobicContact CE1-CG2 4.47Å; Y111-I160 WeakPolarHBondContact CE2-O 3.32Å; Y111-I160 HydrophobicContact CG-CB 4.26Å; Y111-I160 HydrophobicContact CG-CG2 3.74Å; Y111-I162 HydrophobicContact CD1-CD1 3.67Å; Y111-I162 HydrophobicContact CD1-CG1 3.76Å; Y111-I162 HydrophobicContact CE1-CB 4.25Å; Y111-I162 HydrophobicContact CE1-CD1 4.02Å; Y111-I162 HydrophobicContact CE1-CG1 3.85Å; Y111-D165 WeakPolarHBondContact CE1-OD2 3.26Å; Y111-D165 PolarHBondContact OH-OD1 3.01Å; Y111-D165 PolarHBondContact OH-OD2 3.28Å |
| 112 | R | 98.4 | Very high | 96.5 | Very high | 62 Ų | 62 | 48.3 Ų | 48.3 | 23% | 0.234 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 127.8 | 170.2 | -69.4 | 170.1 | 174.3 | 172.2 | 6.4 | 108.4 | E87 Y95 N96 C97 L114 G136 | E87-R112 IonicContact OE1-CZ 2.67Å; E87-R112 IonicContact OE1-NE 3.01Å; E87-R112 IonicContact OE1-NH2 3.22Å; E87-R112 PolarHBondContact OE1-NH2 2.92Å; E87-R112 IonicContact OE2-CZ 3.4Å; E87-R112 IonicContact OE2-NE 2.64Å; E87-R112 PolarHBondContact OE2-NE 2.96Å; E87-R112 IonicContact OE2-NH2 3.31Å; E87-R112 PolarHBondContact OE2-NH2 3.31Å; Y95-R112 HydrophobicContact CD1-CB 4.26Å; Y95-R112 HydrophobicContact CD1-CG 4.14Å; Y95-R112 HydrophobicContact CG-CG 4.08Å; N96-R112 WeakPolarHBondContact O-CA 3.4Å; C97-R112 HydrophobicContact CB-CG 4.37Å; R112-L114 PolarHBondContact O-N 3.4Å; R112-G136 WeakPolarHBondContact O-CA 3.36Å |
| 113 | K | 98.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | trans | -46 | 122.5 | 179.4 | -170.9 | 172.4 | -173.5 | 179.4 | 0 | 110.7 | E42 N96 H115 E129 G136 I162 | E42-K113 IonicContact OE1-NZ 3.16Å; E42-K113 PolarHBondContact OE1-NZ 3.24Å; N96-K113 HydrophobicContact CB-CB 3.86Å; N96-K113 HydrophobicContact CB-CD 4.02Å; N96-K113 WeakPolarHBondContact ND2-CD 3.31Å; N96-K113 PolarHBondContact O-N 3.11Å; K113-H115 WeakPolarHBondContact CE-O 3.47Å; K113-E129 WeakPolarHBondContact CE-OE2 3.31Å; K113-E129 IonicContact NZ-OE1 2.87Å; K113-E129 PolarHBondContact NZ-OE1 2.75Å; K113-E129 IonicContact NZ-OE2 2.63Å; K113-E129 PolarHBondContact NZ-OE2 3.29Å; K113-G136 PolarHBondContact O-N 3.04Å; K113-I162 HydrophobicContact CB-CB 4.09Å; K113-I162 HydrophobicContact CB-CD1 4.09Å; K113-I162 HydrophobicContact CB-CG2 4.45Å; K113-I162 HydrophobicContact CD-CB 4.11Å; K113-I162 HydrophobicContact CD-CG2 3.79Å; K113-I162 WeakPolarHBondContact CE-O 3.08Å; K113-I162 HydrophobicContact CG-CB 3.96Å; K113-I162 HydrophobicContact CG-CG2 4.22Å | ||
| 114 | L | 97.9 | Very high | 95.4 | Very high | 36 Ų | 36 | 56.1 Ų | 56.1 | 19% | 0.188 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -82.1 | -43.1 | -174.7 | -64.6 | 177.6 | 0 | 0 | 0 | 110.5 | Y111 R112 S135 T139 D165 L171 | Y111-L114 HydrophobicContact CE2-CD1 4.06Å; Y111-L114 HydrophobicContact CE2-CG 3.96Å; Y111-L114 WeakPolarHBondContact OH-CG 3.32Å; R112-L114 PolarHBondContact O-N 3.4Å; L114-S135 VanDerWaalsContact O-CB 3.32Å; L114-S135 WeakPolarHBondContact O-CB 3.49Å; L114-T139 HydrophobicContact CD1-CG2 4.25Å; L114-D165 PolarHBondContact N-OD1 3.22Å; L114-L171 HydrophobicContact CD1-CD1 3.98Å |
| 115 | H | 98.3 | Very high | 94.8 | Very high | 54 Ų | 54 | 54.5 Ų | 54.5 | 25% | 0.25 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -105 | 104.9 | -177.6 | -48.9 | 91.8 | 0 | 0 | 0 | 109.8 | K113 Y164 D165 F168 | K113-H115 WeakPolarHBondContact CE-O 3.47Å; H115-Y164 HydrophobicContact CB-CD1 4.1Å; H115-D165 WeakPolarHBondContact CB-OD1 3.25Å; H115-D165 IonicContact CE1-OD1 3.78Å; H115-D165 IonicContact CG-OD1 2.86Å; H115-D165 PolarHBondContact N-OD1 2.97Å; H115-D165 IonicContact ND1-OD1 3.91Å; H115-D165 PolarHBondContact ND1-OD1 2.81Å; H115-F168 HydrophobicContact CB-CD2 3.63Å; H115-F168 HydrophobicContact CB-CE2 3.24Å; H115-F168 HydrophobicContact CB-CG 4.44Å; H115-F168 HydrophobicContact CB-CZ 3.76Å; H115-F168 AromaticContact CD2-CD1 3.46Å; H115-F168 VanDerWaalsContact CD2-CD1 3.46Å; H115-F168 WeakPolarHBondContact CD2-CD1 3.33Å; H115-F168 AromaticContact CD2-CD2 3.57Å; H115-F168 AromaticContact CD2-CE1 3.52Å; H115-F168 AromaticContact CD2-CE2 3.67Å; H115-F168 AromaticContact CD2-CG 3.48Å; H115-F168 VanDerWaalsContact CD2-CG 3.48Å; H115-F168 WeakPolarHBondContact CD2-CG 3.39Å; H115-F168 AromaticContact CD2-CZ 3.63Å; H115-F168 AromaticContact CE1-CD2 3.96Å; H115-F168 AromaticContact CE1-CG 3.71Å; H115-F168 AromaticContact CG-CD2 3.28Å; H115-F168 AromaticContact CG-CE2 3.38Å; H115-F168 AromaticContact CG-CG 3.67Å; H115-F168 AromaticContact CG-CZ 3.81Å; H115-F168 AromaticContact ND1-CD2 3.55Å; H115-F168 AromaticContact ND1-CG 3.8Å; H115-F168 AromaticContact NE2-CD1 3.62Å; H115-F168 AromaticContact NE2-CD2 4Å; H115-F168 AromaticContact NE2-CG 3.52Å |
| 116 | L | 98 | Very high | 94.4 | Very high | 25 Ų | 25 | 57.4 Ų | 57.4 | 13% | 0.131 | 33% | 0.33 | C | S | . | . | trans | -70 | 142.4 | 177.9 | -59.4 | -175.8 | 0 | 0 | 0 | 110.9 | D118 E129 L133 Y164 | L116-D118 VanDerWaalsContact C-N 3.26Å; L116-D118 PolarHBondContact O-N 3.47Å; L116-E129 WeakPolarHBondContact CA-OE2 3.24Å; L116-E129 HydrophobicContact CB-CB 4.26Å; L116-E129 HydrophobicContact CD2-CG 4.47Å; L116-L133 VanDerWaalsContact CD1-O 3.3Å; L116-L133 WeakPolarHBondContact CD1-O 3.31Å; L116-L133 HydrophobicContact CD2-CB 4.29Å; L116-Y164 WeakPolarHBondContact O-CD1 3.41Å; L116-Y164 WeakPolarHBondContact O-CE1 3.3Å | ||
| 117 | F | 96.2 | Very high | 94.1 | Very high | 11 Ų | 11 | 53.1 Ų | 53.1 | 5% | 0.048 | 31% | 0.309 | C | S | . | . | trans | -76.3 | 75.8 | -178.3 | -175.5 | -131 | 0 | 0 | 0 | 111.3 | I119 F125 F127 E129 Y164 Y227 | F117-I119 HydrophobicContact CD2-CD1 4.47Å; F117-I119 HydrophobicContact CD2-CG1 4.19Å; F117-I119 HydrophobicContact CD2-CG2 3.86Å; F117-I119 HydrophobicContact CE1-CD1 4.15Å; F117-I119 HydrophobicContact CE1-CG1 4.12Å; F117-I119 HydrophobicContact CE2-CB 4.24Å; F117-I119 HydrophobicContact CE2-CD1 3.41Å; F117-I119 VanDerWaalsContact CE2-CD1 3.41Å; F117-I119 HydrophobicContact CE2-CG1 3.56Å; F117-I119 HydrophobicContact CE2-CG2 3.64Å; F117-I119 HydrophobicContact CZ-CD1 3.21Å; F117-I119 HydrophobicContact CZ-CG1 3.54Å; F117-I119 HydrophobicContact CZ-CG2 4.49Å; F117-F125 AromaticContact CE1-CE1 3.82Å; F117-F125 HydrophobicContact CE1-CE1 3.82Å; F117-F125 HydrophobicContact CE1-CZ 4.32Å; F117-F125 HydrophobicContact CZ-CE1 4.01Å; F117-F127 HydrophobicContact CB-CD1 4.49Å; F117-F127 HydrophobicContact CD1-CB 3.97Å; F117-F127 AromaticContact CD1-CD1 3.48Å; F117-F127 HydrophobicContact CD1-CD1 3.48Å; F117-F127 VanDerWaalsContact CD1-CD1 3.48Å; F117-F127 HydrophobicContact CD1-CE1 4.1Å; F117-F127 AromaticContact CD1-CG 3.82Å; F117-F127 HydrophobicContact CD1-CG 3.82Å; F117-F127 HydrophobicContact CE1-CB 3.85Å; F117-F127 HydrophobicContact CE1-CD1 4.16Å; F117-F127 HydrophobicContact CE1-CG 4.02Å; F117-F127 HydrophobicContact CG-CD1 4.33Å; F117-F127 WeakPolarHBondContact O-CD1 3.36Å; F117-E129 HydrophobicContact CB-CB 4.13Å; F117-E129 PolarHBondContact N-OE2 2.86Å; F117-E129 PolarHBondContact O-N 2.85Å; F117-Y164 HydrophobicContact CB-CG 4.31Å; F117-Y164 AromaticContact CD2-CD2 3.35Å; F117-Y164 HydrophobicContact CD2-CD2 3.35Å; F117-Y164 AromaticContact CD2-CE2 3.58Å; F117-Y164 HydrophobicContact CD2-CE2 3.58Å; F117-Y164 AromaticContact CD2-CG 3.88Å; F117-Y164 HydrophobicContact CD2-CG 3.88Å; F117-Y164 AromaticContact CE2-CD2 3.9Å; F117-Y164 HydrophobicContact CE2-CD2 3.9Å; F117-Y164 AromaticContact CE2-CE2 3.92Å; F117-Y164 HydrophobicContact CE2-CE2 3.92Å; F117-Y164 HydrophobicContact CG-CD2 4.41Å; F117-Y227 HydrophobicContact CE1-CE2 4.17Å | ||
| 118 | D | 95.6 | Very high | 93.9 | Very high | 65 Ų | 65 | 56.6 Ų | 56.6 | 35% | 0.348 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 101.1 | 172.6 | -73.8 | 4.2 | 0 | 0 | 0 | 108.8 | L116 F127 K128 E129 S130 | L116-D118 VanDerWaalsContact C-N 3.26Å; L116-D118 PolarHBondContact O-N 3.47Å; D118-F127 CarbonylContact C-O 3.53Å; D118-F127 WeakPolarHBondContact CA-O 3.35Å; D118-K128 WeakPolarHBondContact OD1-CA 3.42Å; D118-E129 PolarHBondContact OD1-N 2.91Å; D118-S130 VanDerWaalsContact CG-OG 3.24Å; D118-S130 WeakPolarHBondContact OD1-CB 3.29Å; D118-S130 PolarHBondContact OD1-N 2.93Å; D118-S130 PolarHBondContact OD1-OG 2.89Å; D118-S130 WeakPolarHBondContact OD2-CB 3.22Å; D118-S130 PolarHBondContact OD2-OG 3.18Å |
| 119 | I | 93.4 | Very high | 93.7 | Very high | 30 Ų | 30 | 54.1 Ų | 54.1 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 148 | 177.2 | 66 | 159.8 | 0 | 0 | 0 | 111.4 | F117 I121 F125 A126 F127 Y164 T194 | F117-I119 HydrophobicContact CD2-CD1 4.47Å; F117-I119 HydrophobicContact CD2-CG1 4.19Å; F117-I119 HydrophobicContact CD2-CG2 3.86Å; F117-I119 HydrophobicContact CE1-CD1 4.15Å; F117-I119 HydrophobicContact CE1-CG1 4.12Å; F117-I119 HydrophobicContact CE2-CB 4.24Å; F117-I119 HydrophobicContact CE2-CD1 3.41Å; F117-I119 VanDerWaalsContact CE2-CD1 3.41Å; F117-I119 HydrophobicContact CE2-CG1 3.56Å; F117-I119 HydrophobicContact CE2-CG2 3.64Å; F117-I119 HydrophobicContact CZ-CD1 3.21Å; F117-I119 HydrophobicContact CZ-CG1 3.54Å; F117-I119 HydrophobicContact CZ-CG2 4.49Å; I119-I121 HydrophobicContact CD1-CD1 4.2Å; I119-I121 HydrophobicContact CD1-CG1 4.35Å; I119-F125 HydrophobicContact CD1-CD1 3.63Å; I119-F125 HydrophobicContact CD1-CE1 3.82Å; I119-F125 HydrophobicContact CG1-CD1 4.13Å; I119-F125 HydrophobicContact CG1-CE1 4.12Å; I119-A126 CarbonylContact O-C 3.6Å; I119-A126 WeakPolarHBondContact O-CA 3.28Å; I119-F127 HydrophobicContact CG1-CB 4.45Å; I119-F127 PolarHBondContact N-O 2.8Å; I119-F127 PolarHBondContact O-N 2.81Å; I119-F127 VanDerWaalsContact O-O 3.06Å; I119-Y164 HydrophobicContact CG2-CE2 3.72Å; I119-Y164 VanDerWaalsContact CG2-OH 3.31Å; I119-Y164 WeakPolarHBondContact CG2-OH 3.45Å; I119-T194 HydrophobicContact CD1-CG2 4.44Å |
| 120 | D | 92.9 | Very high | 93.7 | Very high | 120 Ų | 120 | 55.6 Ų | 55.6 | 64% | 0.642 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 109.9 | 169.7 | -172.1 | -6.7 | 0 | 0 | 0 | 107.5 | P122 | D120-P122 WeakPolarHBondContact O-CD 3.33Å |
| 121 | I | 87.6 | Confident | 93.6 | Very high | 45 Ų | 45 | 56.1 Ų | 56.1 | 23% | 0.231 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 102.3 | 172.1 | -53.9 | 177 | 0 | 0 | 0 | 105.7 | I119 G123 Q124 F125 T194 | I119-I121 HydrophobicContact CD1-CD1 4.2Å; I119-I121 HydrophobicContact CD1-CG1 4.35Å; I121-G123 PolarHBondContact O-N 3.05Å; I121-Q124 HydrophobicContact CB-CB 4.23Å; I121-Q124 HydrophobicContact CG2-CB 3.84Å; I121-Q124 HydrophobicContact CG2-CG 4.28Å; I121-Q124 PolarHBondContact O-N 2.85Å; I121-F125 WeakPolarHBondContact CB-O 3.46Å; I121-F125 PolarHBondContact N-O 3.17Å; I121-F125 PolarHBondContact O-N 2.94Å; I121-F125 VanDerWaalsContact O-N 3.11Å; I121-T194 HydrophobicContact CD1-CG2 4.21Å |
| 122 | P | 89.9 | Confident | 93.5 | Very high | 105 Ų | 105 | 58 Ų | 58 | 68% | 0.682 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 126.6 | -171.5 | -30.6 | 36.1 | 0 | 0 | 0 | 112.6 | D120 Q124 | D120-P122 WeakPolarHBondContact O-CD 3.33Å; P122-Q124 PolarHBondContact O-N 3.28Å |
| 123 | G | 88.5 | Confident | 93.5 | Very high | 91 Ų | 91 | 55.3 Ų | 55.3 | 94% | 0.938 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | 5.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | I121 | I121-G123 PolarHBondContact O-N 3.05Š|
| 124 | Q | 84.5 | Confident | 93.4 | Very high | 125 Ų | 125 | 57 Ų | 57 | 58% | 0.584 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125 | -59.1 | -176.7 | -69.2 | 175.6 | 63.6 | 0 | 0 | 112.7 | I121 P122 K193 | I121-Q124 HydrophobicContact CB-CB 4.23Å; I121-Q124 HydrophobicContact CG2-CB 3.84Å; I121-Q124 HydrophobicContact CG2-CG 4.28Å; I121-Q124 PolarHBondContact O-N 2.85Å; P122-Q124 PolarHBondContact O-N 3.28Å; Q124-K193 VanDerWaalsContact OE1-CE 3.27Å |
| 125 | F | 85.9 | Confident | 93.4 | Very high | 55 Ų | 55 | 58 Ų | 58 | 24% | 0.241 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 127 | -171.7 | -177.4 | -93 | 0 | 0 | 0 | 110.8 | F117 I119 I121 F127 N191 Y227 | F117-F125 AromaticContact CE1-CE1 3.82Å; F117-F125 HydrophobicContact CE1-CE1 3.82Å; F117-F125 HydrophobicContact CE1-CZ 4.32Å; F117-F125 HydrophobicContact CZ-CE1 4.01Å; I119-F125 HydrophobicContact CD1-CD1 3.63Å; I119-F125 HydrophobicContact CD1-CE1 3.82Å; I119-F125 HydrophobicContact CG1-CD1 4.13Å; I119-F125 HydrophobicContact CG1-CE1 4.12Å; I121-F125 WeakPolarHBondContact CB-O 3.46Å; I121-F125 PolarHBondContact N-O 3.17Å; I121-F125 PolarHBondContact O-N 2.94Å; I121-F125 VanDerWaalsContact O-N 3.11Å; F125-F127 HydrophobicContact CE1-CB 3.52Å; F125-F127 HydrophobicContact CE1-CG 4.44Å; F125-F127 HydrophobicContact CZ-CB 3.78Å; F125-F127 HydrophobicContact CZ-CD2 4.03Å; F125-F127 HydrophobicContact CZ-CG 4.3Å; F125-N191 WeakPolarHBondContact CD1-ND2 3.48Å; F125-N191 VanDerWaalsContact CE1-ND2 3.28Å; F125-N191 WeakPolarHBondContact CE1-ND2 3.37Å; F125-Y227 HydrophobicContact CE2-CD2 4.49Å; F125-Y227 HydrophobicContact CE2-CE2 4.43Å; F125-Y227 HydrophobicContact CZ-CD2 4.1Å; F125-Y227 AromaticContact CZ-CE2 3.73Å; F125-Y227 HydrophobicContact CZ-CE2 3.73Å |
| 126 | A | 90.3 | Very high | 93.4 | Very high | 67 Ų | 67 | 55.8 Ų | 55.8 | 55% | 0.554 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | I119 | I119-A126 CarbonylContact O-C 3.6Å; I119-A126 WeakPolarHBondContact O-CA 3.28Å |
| 127 | F | 92.4 | Very high | 93.2 | Very high | 30 Ų | 30 | 62 Ų | 62 | 13% | 0.132 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 134.5 | 173.7 | -163.7 | -83.8 | 0 | 0 | 0 | 108.7 | I48 F53 F117 D118 I119 F125 E129 Y227 | I48-F127 HydrophobicContact CG2-CE2 4.32Å; I48-F127 HydrophobicContact CG2-CZ 3.95Å; F53-F127 HydrophobicContact CE2-CZ 4.34Å; F53-F127 HydrophobicContact CZ-CZ 4.25Å; F117-F127 HydrophobicContact CB-CD1 4.49Å; F117-F127 HydrophobicContact CD1-CB 3.97Å; F117-F127 AromaticContact CD1-CD1 3.48Å; F117-F127 HydrophobicContact CD1-CD1 3.48Å; F117-F127 VanDerWaalsContact CD1-CD1 3.48Å; F117-F127 HydrophobicContact CD1-CE1 4.1Å; F117-F127 AromaticContact CD1-CG 3.82Å; F117-F127 HydrophobicContact CD1-CG 3.82Å; F117-F127 HydrophobicContact CE1-CB 3.85Å; F117-F127 HydrophobicContact CE1-CD1 4.16Å; F117-F127 HydrophobicContact CE1-CG 4.02Å; F117-F127 HydrophobicContact CG-CD1 4.33Å; F117-F127 WeakPolarHBondContact O-CD1 3.36Å; D118-F127 CarbonylContact C-O 3.53Å; D118-F127 WeakPolarHBondContact CA-O 3.35Å; I119-F127 HydrophobicContact CG1-CB 4.45Å; I119-F127 PolarHBondContact N-O 2.8Å; I119-F127 PolarHBondContact O-N 2.81Å; I119-F127 VanDerWaalsContact O-O 3.06Å; F125-F127 HydrophobicContact CE1-CB 3.52Å; F125-F127 HydrophobicContact CE1-CG 4.44Å; F125-F127 HydrophobicContact CZ-CB 3.78Å; F125-F127 HydrophobicContact CZ-CD2 4.03Å; F125-F127 HydrophobicContact CZ-CG 4.3Å; F127-E129 HydrophobicContact CD1-CB 4.13Å; F127-E129 HydrophobicContact CE1-CB 3.78Å; F127-E129 HydrophobicContact CE1-CG 4.22Å; F127-Y227 HydrophobicContact CD2-CD2 4.27Å; F127-Y227 HydrophobicContact CD2-CE2 4.41Å; F127-Y227 HydrophobicContact CE2-CD2 4.11Å; F127-Y227 HydrophobicContact CE2-CE2 4.48Å |
| 128 | K | 94 | Very high | 93.1 | Very high | 136 Ų | 136 | 67.1 Ų | 67.1 | 59% | 0.591 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 84.9 | 179.9 | -168.7 | 173.1 | -176 | 174.9 | 0 | 109.3 | D118 S130 A131 | D118-K128 WeakPolarHBondContact OD1-CA 3.42Å; K128-S130 WeakPolarHBondContact CE-OG 3.41Å; K128-S130 WeakPolarHBondContact CG-OG 3.18Å; K128-S130 PolarHBondContact O-N 2.78Å; K128-A131 HydrophobicContact CB-CB 4.4Å; K128-A131 HydrophobicContact CD-CB 4.43Å; K128-A131 HydrophobicContact CG-CB 4.19Å; K128-A131 VanDerWaalsContact O-CB 3.3Å; K128-A131 WeakPolarHBondContact O-CB 3.32Å; K128-A131 PolarHBondContact O-N 2.93Å; K128-A131 VanDerWaalsContact O-N 3.17Å |
| 129 | E | 94.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 65.9 Ų | 65.9 | 2% | 0.019 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -61 | -33.7 | 179.3 | -164.8 | 174.5 | -140.6 | 0 | 0 | 111.1 | F53 N96 K113 L116 F117 D118 F127 A131 S132 L133 | F53-E129 HydrophobicContact CE2-CG 4.13Å; F53-E129 HydrophobicContact CZ-CG 4.38Å; N96-E129 PolarHBondContact ND2-OE1 2.86Å; K113-E129 WeakPolarHBondContact CE-OE2 3.31Å; K113-E129 IonicContact NZ-OE1 2.87Å; K113-E129 PolarHBondContact NZ-OE1 2.75Å; K113-E129 IonicContact NZ-OE2 2.63Å; K113-E129 PolarHBondContact NZ-OE2 3.29Å; L116-E129 WeakPolarHBondContact CA-OE2 3.24Å; L116-E129 HydrophobicContact CB-CB 4.26Å; L116-E129 HydrophobicContact CD2-CG 4.47Å; F117-E129 HydrophobicContact CB-CB 4.13Å; F117-E129 PolarHBondContact N-OE2 2.86Å; F117-E129 PolarHBondContact O-N 2.85Å; D118-E129 PolarHBondContact OD1-N 2.91Å; F127-E129 HydrophobicContact CD1-CB 4.13Å; F127-E129 HydrophobicContact CE1-CB 3.78Å; F127-E129 HydrophobicContact CE1-CG 4.22Å; E129-A131 PolarHBondContact O-N 2.82Å; E129-A131 VanDerWaalsContact O-N 3.14Å; E129-S132 PolarHBondContact O-N 2.84Å; E129-S132 VanDerWaalsContact O-N 3.11Å; E129-L133 HydrophobicContact CG-CB 4.2Å; E129-L133 HydrophobicContact CG-CD1 3.63Å; E129-L133 HydrophobicContact CG-CG 4.06Å; E129-L133 PolarHBondContact O-N 2.91Å |
| 130 | S | 96.3 | Very high | 93.3 | Very high | 45 Ų | 45 | 65.7 Ų | 65.7 | 32% | 0.315 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -65.2 | -12.9 | 177 | 71.1 | 0 | 0 | 0 | 0 | 115.1 | D118 K128 S132 | D118-S130 VanDerWaalsContact CG-OG 3.24Å; D118-S130 WeakPolarHBondContact OD1-CB 3.29Å; D118-S130 PolarHBondContact OD1-N 2.93Å; D118-S130 PolarHBondContact OD1-OG 2.89Å; D118-S130 WeakPolarHBondContact OD2-CB 3.22Å; D118-S130 PolarHBondContact OD2-OG 3.18Å; K128-S130 WeakPolarHBondContact CE-OG 3.41Å; K128-S130 WeakPolarHBondContact CG-OG 3.18Å; K128-S130 PolarHBondContact O-N 2.78Å; S130-S132 PolarHBondContact O-N 2.88Å |
| 131 | A | 94.5 | Very high | 93.5 | Very high | 71 Ų | 71 | 61.5 Ų | 61.5 | 59% | 0.587 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -68.6 | -15.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K128 E129 | K128-A131 HydrophobicContact CB-CB 4.4Å; K128-A131 HydrophobicContact CD-CB 4.43Å; K128-A131 HydrophobicContact CG-CB 4.19Å; K128-A131 VanDerWaalsContact O-CB 3.3Å; K128-A131 WeakPolarHBondContact O-CB 3.32Å; K128-A131 PolarHBondContact O-N 2.93Å; K128-A131 VanDerWaalsContact O-N 3.17Å; E129-A131 PolarHBondContact O-N 2.82Å; E129-A131 VanDerWaalsContact O-N 3.14Å |
| 132 | S | 95 | Very high | 94 | Very high | 40 Ų | 40 | 59.7 Ų | 59.7 | 28% | 0.28 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136 | -32.5 | -177.9 | -58.8 | 0 | 0 | 0 | 0 | 113.4 | A50 L94 E129 S130 | A50-S132 WeakPolarHBondContact CB-OG 3.35Å; L94-S132 WeakPolarHBondContact CB-O 3.49Å; E129-S132 PolarHBondContact O-N 2.84Å; E129-S132 VanDerWaalsContact O-N 3.11Å; S130-S132 PolarHBondContact O-N 2.88Å |
| 133 | L | 98 | Very high | 94.4 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | trans | -103.2 | 156 | -178.8 | -56.1 | -170.8 | 0 | 0 | 0 | 111.9 | F53 L94 N96 L116 E129 | F53-L133 HydrophobicContact CB-CD2 3.69Å; F53-L133 HydrophobicContact CB-CG 4.47Å; F53-L133 HydrophobicContact CD1-CD1 4.26Å; F53-L133 HydrophobicContact CD1-CD2 4.45Å; F53-L133 HydrophobicContact CD2-CD1 3.91Å; F53-L133 HydrophobicContact CD2-CD2 3.85Å; F53-L133 HydrophobicContact CD2-CG 3.66Å; F53-L133 HydrophobicContact CE1-CD1 4.21Å; F53-L133 HydrophobicContact CE2-CD1 3.86Å; F53-L133 HydrophobicContact CE2-CG 3.98Å; F53-L133 HydrophobicContact CG-CD1 4.12Å; F53-L133 HydrophobicContact CG-CD2 3.76Å; F53-L133 HydrophobicContact CG-CG 4.04Å; F53-L133 HydrophobicContact CZ-CD1 4.01Å; L94-L133 HydrophobicContact CB-CD2 3.51Å; L94-L133 CarbonylContact O-C 3.59Å; L94-L133 WeakPolarHBondContact O-CA 3.38Å; N96-L133 HydrophobicContact CB-CD1 3.77Å; L116-L133 VanDerWaalsContact CD1-O 3.3Å; L116-L133 WeakPolarHBondContact CD1-O 3.31Å; L116-L133 HydrophobicContact CD2-CB 4.29Å; E129-L133 HydrophobicContact CG-CB 4.2Å; E129-L133 HydrophobicContact CG-CD1 3.63Å; E129-L133 HydrophobicContact CG-CG 4.06Å; E129-L133 PolarHBondContact O-N 2.91Å | ||
| 134 | S | 98.4 | Very high | 94.9 | Very high | 36 Ų | 36 | 54.4 Ų | 54.4 | 25% | 0.252 | 30% | 0.3 | S | S | . | . | trans | -107.2 | 149.7 | 171.6 | -66.6 | 0 | 0 | 0 | 0 | 110.2 | K93 L94 Y95 | K93-S134 WeakPolarHBondContact CD-OG 3.42Å; L94-S134 PolarHBondContact O-N 3.31Å; Y95-S134 WeakPolarHBondContact CD1-O 3.19Å | ||
| 135 | S | 97.9 | Very high | 95.4 | Very high | 57 Ų | 57 | 52.1 Ų | 52.1 | 40% | 0.399 | 30% | 0.296 | S | S | . | . | trans | -73.6 | 147.2 | 176.6 | 52.6 | 0 | 0 | 0 | 0 | 111.8 | Y95 L114 | Y95-S135 WeakPolarHBondContact CE1-O 3.45Å; L114-S135 VanDerWaalsContact O-CB 3.32Å; L114-S135 WeakPolarHBondContact O-CB 3.49Å | ||
| 136 | G | 97.2 | Very high | 95.7 | Very high | 8 Ų | 8 | 50.1 Ų | 50.1 | 8% | 0.082 | 29% | 0.288 | C | S | . | . | trans | -63.7 | 171.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R112 K113 | R112-G136 WeakPolarHBondContact O-CA 3.36Å; K113-G136 PolarHBondContact O-N 3.04Å | ||
| 137 | K | 94.4 | Very high | 95.6 | Very high | 155 Ų | 155 | 54 Ų | 54 | 67% | 0.674 | 29% | 0.292 | S | S | * | . | trans | -126.8 | -6.6 | -176.3 | -62.8 | -176.3 | 179.3 | 178.6 | 0 | 113.7 | ||||
| 138 | E | 94 | Very high | 95.1 | Very high | 120 Ų | 120 | 56 Ų | 56 | 56% | 0.561 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -141.6 | 138.9 | -168.9 | -64.1 | 178.5 | -170.4 | 0 | 0 | 109.4 | ||
| 139 | T | 95.5 | Very high | 94.5 | Very high | 39 Ų | 39 | 55.4 Ų | 55.4 | 24% | 0.239 | 32% | 0.317 | C | S | . | . | trans | -72.5 | 157.4 | 168.1 | 60.9 | 0 | 0 | 0 | 0 | 109.9 | L114 L171 L174 Y175 L285 | L114-T139 HydrophobicContact CD1-CG2 4.25Å; T139-L171 HydrophobicContact CG2-CD1 3.73Å; T139-L174 HydrophobicContact CG2-CD1 4.5Å; T139-L174 HydrophobicContact CG2-CD2 4.12Å; T139-Y175 HydrophobicContact CG2-CE1 4.46Å; T139-L285 HydrophobicContact CG2-CD2 3.89Å; T139-L285 WeakPolarHBondContact OG1-CD2 3.34Å | ||
| 140 | F | 97.2 | Very high | 94 | Very high | 26 Ų | 26 | 61.1 Ų | 61.1 | 11% | 0.114 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 132.3 | 176.5 | -179.5 | -114.2 | 0 | 0 | 0 | 111.3 | V108 Y111 F142 I160 Y175 | V108-F140 HydrophobicContact CG1-CZ 4.33Å; Y111-F140 HydrophobicContact CD2-CB 3.74Å; Y111-F140 HydrophobicContact CG-CB 4.21Å; F140-F142 AromaticContact CE1-CD1 3.95Å; F140-F142 HydrophobicContact CE1-CD1 3.95Å; F140-F142 HydrophobicContact CZ-CB 4.15Å; F140-F142 HydrophobicContact CZ-CD1 4.38Å; F140-I160 HydrophobicContact CD1-CB 4.16Å; F140-I160 HydrophobicContact CD1-CG1 3.83Å; F140-I160 HydrophobicContact CE1-CG1 4.27Å; F140-I160 PolarHBondContact O-N 3.12Å; F140-Y175 PolarHBondContact N-OH 2.96Å; F140-Y175 VanDerWaalsContact N-OH 3.11Å; F140-Y175 WeakPolarHBondContact O-CE1 3.44Å; F140-Y175 PolarHBondContact O-OH 2.8Å |
| 141 | S | 97.7 | Very high | 93.4 | Very high | 32 Ų | 32 | 65.2 Ų | 65.2 | 22% | 0.224 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 149.1 | 169.5 | 64.8 | 0 | 0 | 0 | 0 | 109.8 | V158 L179 | S141-V158 CarbonylContact C-O 3.56Å; S141-V158 WeakPolarHBondContact CA-O 3.37Å; S141-V158 WeakPolarHBondContact CB-O 3.2Å; S141-L179 WeakPolarHBondContact OG-CD1 3.23Å |
| 142 | F | 98.4 | Very high | 93 | Very high | 7 Ų | 7 | 68 Ų | 68 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 167.9 | 177.2 | 66.6 | -80.4 | 0 | 0 | 0 | 111 | L37 W79 V81 T100 V108 F140 I144 R157 V158 I160 | L37-F142 HydrophobicContact CD1-CE2 4.5Å; L37-F142 HydrophobicContact CD1-CZ 4.2Å; W79-F142 HydrophobicContact CD2-CE2 4.26Å; W79-F142 AromaticContact CE3-CD2 3.56Å; W79-F142 HydrophobicContact CE3-CD2 3.56Å; W79-F142 AromaticContact CE3-CE2 3.53Å; W79-F142 HydrophobicContact CE3-CE2 3.53Å; W79-F142 HydrophobicContact CH2-CD2 4.43Å; W79-F142 AromaticContact CZ3-CD2 3.48Å; W79-F142 HydrophobicContact CZ3-CD2 3.48Å; W79-F142 VanDerWaalsContact CZ3-CD2 3.48Å; W79-F142 AromaticContact CZ3-CE2 3.98Å; W79-F142 HydrophobicContact CZ3-CE2 3.98Å; W79-F142 HydrophobicContact CZ3-CG 4.46Å; V81-F142 HydrophobicContact CG2-CE1 3.96Å; V81-F142 HydrophobicContact CG2-CZ 3.79Å; T100-F142 HydrophobicContact CG2-CD1 3.88Å; T100-F142 HydrophobicContact CG2-CD2 4.17Å; T100-F142 HydrophobicContact CG2-CE1 3.73Å; T100-F142 HydrophobicContact CG2-CE2 4Å; T100-F142 HydrophobicContact CG2-CG 4.1Å; T100-F142 HydrophobicContact CG2-CZ 3.79Å; V108-F142 HydrophobicContact CG1-CB 3.76Å; F140-F142 AromaticContact CE1-CD1 3.95Å; F140-F142 HydrophobicContact CE1-CD1 3.95Å; F140-F142 HydrophobicContact CZ-CB 4.15Å; F140-F142 HydrophobicContact CZ-CD1 4.38Å; F142-I144 HydrophobicContact CD2-CG1 4.01Å; F142-I144 HydrophobicContact CE2-CD1 3.71Å; F142-I144 HydrophobicContact CE2-CG1 3.58Å; F142-I144 HydrophobicContact CZ-CD1 4.33Å; F142-R157 WeakPolarHBondContact O-CA 3.39Å; F142-R157 WeakPolarHBondContact O-CG 3.47Å; F142-V158 HydrophobicContact CD1-CB 4.09Å; F142-V158 HydrophobicContact CE1-CB 3.6Å; F142-V158 HydrophobicContact CE1-CG1 3.67Å; F142-V158 HydrophobicContact CE1-CG2 4.38Å; F142-V158 HydrophobicContact CE2-CB 4.23Å; F142-V158 HydrophobicContact CE2-CG2 4.18Å; F142-V158 HydrophobicContact CZ-CB 3.69Å; F142-V158 HydrophobicContact CZ-CG1 3.82Å; F142-V158 HydrophobicContact CZ-CG2 3.97Å; F142-V158 PolarHBondContact N-O 3.38Å; F142-V158 PolarHBondContact O-N 2.77Å; F142-I160 HydrophobicContact CD1-CG1 4.38Å; F142-I160 HydrophobicContact CE1-CD1 3.88Å; F142-I160 HydrophobicContact CE1-CG1 4.09Å |
| 143 | E | 98 | Very high | 92.7 | Very high | 84 Ų | 84 | 71.1 Ų | 71.1 | 39% | 0.393 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132.2 | -174.7 | -72.5 | -172.1 | 161.4 | 0 | 0 | 111.3 | W79 V155 I156 R157 | W79-E143 WeakPolarHBondContact CH2-O 3.24Å; W79-E143 WeakPolarHBondContact CZ2-O 3.33Å; E143-V155 HydrophobicContact CB-CG1 3.63Å; E143-V155 HydrophobicContact CG-CG1 3.74Å; E143-I156 CarbonylContact C-O 3.57Å; E143-I156 WeakPolarHBondContact CA-O 3.23Å; E143-R157 HydrophobicContact CG-CB 4.29Å; E143-R157 HydrophobicContact CG-CG 4.14Å; E143-R157 IonicContact OE1-CZ 2.75Å; E143-R157 IonicContact OE1-NE 3.73Å; E143-R157 PolarHBondContact OE1-NE 3.18Å; E143-R157 IonicContact OE1-NH2 3.7Å; E143-R157 PolarHBondContact OE1-NH2 2.77Å |
| 144 | I | 97.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.005 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 112.1 | 175.9 | -59.8 | 178.7 | 0 | 0 | 0 | 107.6 | L2 L37 W79 F142 L146 I156 V158 | L2-I144 HydrophobicContact CD1-CB 4.44Å; L2-I144 HydrophobicContact CD1-CD1 3.78Å; L2-I144 HydrophobicContact CD1-CG2 4.05Å; L37-I144 HydrophobicContact CB-CD1 4.3Å; L37-I144 HydrophobicContact CD1-CD1 4.08Å; L37-I144 HydrophobicContact CD2-CD1 3.71Å; L37-I144 HydrophobicContact CG-CD1 4.27Å; W79-I144 HydrophobicContact CB-CD1 4.32Å; W79-I144 HydrophobicContact CD2-CD1 4.45Å; W79-I144 HydrophobicContact CD2-CG1 3.85Å; W79-I144 HydrophobicContact CE3-CG1 4.25Å; W79-I144 HydrophobicContact CG-CD1 4.15Å; W79-I144 HydrophobicContact CG-CG1 3.99Å; W79-I144 HydrophobicContact CG-CG2 4.38Å; F142-I144 HydrophobicContact CD2-CG1 4.01Å; F142-I144 HydrophobicContact CE2-CD1 3.71Å; F142-I144 HydrophobicContact CE2-CG1 3.58Å; F142-I144 HydrophobicContact CZ-CD1 4.33Å; I144-L146 HydrophobicContact CG2-CD2 3.8Å; I144-L146 HydrophobicContact CG2-CG 4.07Å; I144-L146 PolarHBondContact O-N 2.75Å; I144-I156 PolarHBondContact N-O 2.74Å; I144-I156 PolarHBondContact O-N 2.84Å; I144-V158 HydrophobicContact CD1-CG2 3.75Å; I144-V158 HydrophobicContact CG1-CG2 4.21Å |
| 145 | P | 96.1 | Very high | 92.2 | Very high | 77 Ų | 77 | 75.2 Ų | 75.2 | 50% | 0.5 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 123.3 | 169.2 | 30.2 | -30.6 | 0 | 0 | 0 | 109.2 | I153 | P145-I153 HydrophobicContact CB-CG2 3.94Å |
| 146 | L | 91.3 | Very high | 92.2 | Very high | 12 Ų | 12 | 72.7 Ų | 72.7 | 6% | 0.063 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 125.6 | 175.7 | -65.3 | 175.3 | 0 | 0 | 0 | 109.7 | L2 H36 I144 I153 S154 I156 | L2-L146 HydrophobicContact CB-CD1 3.72Å; L2-L146 HydrophobicContact CD1-CD1 4Å; L2-L146 HydrophobicContact CD1-CD2 4.26Å; L2-L146 HydrophobicContact CG-CD1 4.35Å; H36-L146 HydrophobicContact CB-CD2 4.47Å; I144-L146 HydrophobicContact CG2-CD2 3.8Å; I144-L146 HydrophobicContact CG2-CG 4.07Å; I144-L146 PolarHBondContact O-N 2.75Å; L146-I153 CarbonylContact O-C 3.56Å; L146-I153 WeakPolarHBondContact O-CA 3.2Å; L146-S154 PolarHBondContact N-O 2.8Å; L146-S154 PolarHBondContact O-N 2.91Å; L146-I156 HydrophobicContact CD1-CB 4.47Å; L146-I156 HydrophobicContact CD1-CD1 4.43Å; L146-I156 HydrophobicContact CD1-CG1 3.44Å; L146-I156 VanDerWaalsContact CD1-CG1 3.44Å; L146-I156 HydrophobicContact CG-CG1 4.24Å |
| 147 | K | 88.1 | Confident | 92.2 | Very high | 150 Ų | 150 | 75.8 Ų | 75.8 | 65% | 0.652 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 129.9 | 169.8 | -73.5 | 178 | -179.1 | 178.7 | 0 | 109.2 | I153 | K147-I153 HydrophobicContact CG-CG1 3.8Å |
| 148 | N | 82.2 | Confident | 92.4 | Very high | 70 Ų | 70 | 68.4 Ų | 68.4 | 37% | 0.374 | 36% | 0.359 | S | S | . | . | trans | -84.9 | 179.1 | 167.3 | 74.8 | 0.2 | 0 | 0 | 0 | 111.1 | E150 N151 K152 | N148-E150 PolarHBondContact O-N 2.88Å; N148-E150 VanDerWaalsContact O-N 3.14Å; N148-E150 WeakPolarHBondContact OD1-CA 3.47Å; N148-E150 WeakPolarHBondContact OD1-CB 3.36Å; N148-E150 PolarHBondContact OD1-N 3.29Å; N148-N151 PolarHBondContact O-N 2.89Å; N148-N151 VanDerWaalsContact O-N 3.07Å; N148-N151 PolarHBondContact OD1-N 2.81Å; N148-K152 PolarHBondContact N-O 2.99Å; N148-K152 WeakPolarHBondContact OD1-CB 3.38Å; N148-K152 PolarHBondContact OD1-N 3.44Å; N148-K152 PolarHBondContact OD1-O 2.83Å | ||
| 149 | S | 80.7 | Confident | 92.6 | Very high | 125 Ų | 125 | 62.7 Ų | 62.7 | 87% | 0.874 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -19.5 | 177.6 | 48.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 150 | E | 85.4 | Confident | 92.8 | Very high | 124 Ų | 124 | 60.9 Ų | 60.9 | 58% | 0.579 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 13.2 | 178.2 | -58.5 | 179.2 | 177.7 | 0 | 0 | 112.9 | N148 K152 | N148-E150 PolarHBondContact O-N 2.88Å; N148-E150 VanDerWaalsContact O-N 3.14Å; N148-E150 WeakPolarHBondContact OD1-CA 3.47Å; N148-E150 WeakPolarHBondContact OD1-CB 3.36Å; N148-E150 PolarHBondContact OD1-N 3.29Å; E150-K152 HydrophobicContact CB-CG 4.46Å; E150-K152 PolarHBondContact O-N 2.68Å; E150-K152 VanDerWaalsContact O-N 3.07Å; E150-K152 WeakPolarHBondContact OE2-CE 3.5Å; E150-K152 IonicContact OE2-NZ 3.59Å; E150-K152 PolarHBondContact OE2-NZ 2.78Å |
| 151 | N | 82.5 | Confident | 92.9 | Very high | 130 Ų | 130 | 59.6 Ų | 59.6 | 70% | 0.695 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 58.5 | 13.6 | -172.9 | -80 | -20.8 | 0 | 0 | 0 | 115.1 | N148 | N148-N151 PolarHBondContact O-N 2.89Å; N148-N151 VanDerWaalsContact O-N 3.07Å; N148-N151 PolarHBondContact OD1-N 2.81Å |
| 152 | K | 87.6 | Confident | 92.9 | Very high | 131 Ų | 131 | 58.1 Ų | 58.1 | 57% | 0.57 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 133.7 | 170.4 | -67.6 | 175 | -178.5 | 151 | 0 | 109.2 | N148 E150 | N148-K152 PolarHBondContact N-O 2.99Å; N148-K152 WeakPolarHBondContact OD1-CB 3.38Å; N148-K152 PolarHBondContact OD1-N 3.44Å; N148-K152 PolarHBondContact OD1-O 2.83Å; E150-K152 HydrophobicContact CB-CG 4.46Å; E150-K152 PolarHBondContact O-N 2.68Å; E150-K152 VanDerWaalsContact O-N 3.07Å; E150-K152 WeakPolarHBondContact OE2-CE 3.5Å; E150-K152 IonicContact OE2-NZ 3.59Å; E150-K152 PolarHBondContact OE2-NZ 2.78Å |
| 153 | I | 87.6 | Confident | 92.9 | Very high | 105 Ų | 105 | 57.9 Ų | 57.9 | 54% | 0.538 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 121.6 | 178.1 | -61.8 | 170.4 | 0 | 0 | 0 | 108.5 | P145 L146 K147 | P145-I153 HydrophobicContact CB-CG2 3.94Å; L146-I153 CarbonylContact O-C 3.56Å; L146-I153 WeakPolarHBondContact O-CA 3.2Å; K147-I153 HydrophobicContact CG-CG1 3.8Å |
| 154 | S | 91.6 | Very high | 93 | Very high | 60 Ų | 60 | 55.8 Ų | 55.8 | 42% | 0.42 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 147.7 | 161.4 | 58.4 | 0 | 0 | 0 | 0 | 109.5 | L146 | L146-S154 PolarHBondContact N-O 2.8Å; L146-S154 PolarHBondContact O-N 2.91Å |
| 155 | V | 95.1 | Very high | 93 | Very high | 67 Ų | 67 | 55.8 Ų | 55.8 | 41% | 0.406 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.9 | 177.2 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | E143 | E143-V155 HydrophobicContact CB-CG1 3.63Å; E143-V155 HydrophobicContact CG-CG1 3.74Å |
| 156 | I | 97.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 123.2 | 174.6 | -55.5 | -52.3 | 0 | 0 | 0 | 108.5 | E143 I144 L146 Q182 F259 | E143-I156 CarbonylContact C-O 3.57Å; E143-I156 WeakPolarHBondContact CA-O 3.23Å; I144-I156 PolarHBondContact N-O 2.74Å; I144-I156 PolarHBondContact O-N 2.84Å; L146-I156 HydrophobicContact CD1-CB 4.47Å; L146-I156 HydrophobicContact CD1-CD1 4.43Å; L146-I156 HydrophobicContact CD1-CG1 3.44Å; L146-I156 VanDerWaalsContact CD1-CG1 3.44Å; L146-I156 HydrophobicContact CG-CG1 4.24Å; I156-Q182 VanDerWaalsContact CA-OE1 3.31Å; I156-Q182 HydrophobicContact CG2-CB 4.32Å; I156-F259 HydrophobicContact CB-CE2 4.36Å; I156-F259 HydrophobicContact CB-CZ 4.33Å; I156-F259 HydrophobicContact CD1-CB 4.14Å; I156-F259 HydrophobicContact CD1-CD1 3.91Å; I156-F259 HydrophobicContact CD1-CD2 3.41Å; I156-F259 VanDerWaalsContact CD1-CD2 3.41Å; I156-F259 HydrophobicContact CD1-CE1 4.2Å; I156-F259 HydrophobicContact CD1-CE2 3.72Å; I156-F259 HydrophobicContact CD1-CG 3.51Å; I156-F259 HydrophobicContact CD1-CZ 4.12Å; I156-F259 HydrophobicContact CG1-CD2 3.83Å; I156-F259 HydrophobicContact CG1-CE2 3.64Å; I156-F259 HydrophobicContact CG1-CG 4.37Å; I156-F259 HydrophobicContact CG1-CZ 4.06Å; I156-F259 HydrophobicContact CG2-CD1 4.49Å; I156-F259 HydrophobicContact CG2-CE1 3.72Å; I156-F259 HydrophobicContact CG2-CE2 3.84Å; I156-F259 HydrophobicContact CG2-CZ 3.35Å |
| 157 | R | 98.3 | Very high | 93.5 | Very high | 73 Ų | 73 | 54.5 Ų | 54.5 | 28% | 0.275 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 131.3 | 176.2 | -166.8 | 177.4 | -76.5 | -167.8 | -9.1 | 111.1 | F142 E143 L179 C181 Q182 L183 | F142-R157 WeakPolarHBondContact O-CA 3.39Å; F142-R157 WeakPolarHBondContact O-CG 3.47Å; E143-R157 HydrophobicContact CG-CB 4.29Å; E143-R157 HydrophobicContact CG-CG 4.14Å; E143-R157 IonicContact OE1-CZ 2.75Å; E143-R157 IonicContact OE1-NE 3.73Å; E143-R157 PolarHBondContact OE1-NE 3.18Å; E143-R157 IonicContact OE1-NH2 3.7Å; E143-R157 PolarHBondContact OE1-NH2 2.77Å; R157-L179 WeakPolarHBondContact CD-O 3.32Å; R157-L179 PolarHBondContact NE-O 3.15Å; R157-L179 PolarHBondContact NH1-O 2.81Å; R157-C181 WeakPolarHBondContact O-CA 3.4Å; R157-Q182 PolarHBondContact O-N 2.95Å; R157-L183 PolarHBondContact O-N 3.12Å |
| 158 | V | 98.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 124.1 | -175.5 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | L37 S141 F142 I144 I160 L183 L185 | L37-V158 HydrophobicContact CD2-CG2 4.46Å; S141-V158 CarbonylContact C-O 3.56Å; S141-V158 WeakPolarHBondContact CA-O 3.37Å; S141-V158 WeakPolarHBondContact CB-O 3.2Å; F142-V158 HydrophobicContact CD1-CB 4.09Å; F142-V158 HydrophobicContact CE1-CB 3.6Å; F142-V158 HydrophobicContact CE1-CG1 3.67Å; F142-V158 HydrophobicContact CE1-CG2 4.38Å; F142-V158 HydrophobicContact CE2-CB 4.23Å; F142-V158 HydrophobicContact CE2-CG2 4.18Å; F142-V158 HydrophobicContact CZ-CB 3.69Å; F142-V158 HydrophobicContact CZ-CG1 3.82Å; F142-V158 HydrophobicContact CZ-CG2 3.97Å; F142-V158 PolarHBondContact N-O 3.38Å; F142-V158 PolarHBondContact O-N 2.77Å; I144-V158 HydrophobicContact CD1-CG2 3.75Å; I144-V158 HydrophobicContact CG1-CG2 4.21Å; V158-I160 HydrophobicContact CG1-CD1 4.22Å; V158-L183 CarbonylContact C-O 3.59Å; V158-L183 VanDerWaalsContact CA-O 3.29Å; V158-L183 WeakPolarHBondContact CA-O 3.34Å; V158-L183 HydrophobicContact CG1-CB 4.43Å; V158-L183 HydrophobicContact CG1-CD2 4.09Å; V158-L183 HydrophobicContact CG1-CG 4.09Å; V158-L183 HydrophobicContact CG2-CB 4.3Å; V158-L183 HydrophobicContact CG2-CD2 4.09Å; V158-L185 HydrophobicContact CG1-CB 4.5Å; V158-L185 HydrophobicContact CG1-CD1 3.95Å; V158-L185 HydrophobicContact CG1-CG 4.01Å |
| 159 | G | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 141.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L183 L184 L185 | G159-L183 PolarHBondContact N-O 3.07Å; G159-L184 WeakPolarHBondContact O-CA 3.5Å; G159-L185 PolarHBondContact O-N 3.31Å |
| 160 | I | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 133 | -179.6 | -60.4 | -54.8 | 0 | 0 | 0 | 111.3 | V81 C98 Y111 F140 F142 V158 Y175 L185 | V81-I160 HydrophobicContact CG1-CD1 4.05Å; V81-I160 HydrophobicContact CG2-CD1 4.03Å; C98-I160 HydrophobicContact CB-CG2 4.22Å; Y111-I160 HydrophobicContact CD1-CG2 3.71Å; Y111-I160 HydrophobicContact CE1-CG2 4.47Å; Y111-I160 WeakPolarHBondContact CE2-O 3.32Å; Y111-I160 HydrophobicContact CG-CB 4.26Å; Y111-I160 HydrophobicContact CG-CG2 3.74Å; F140-I160 HydrophobicContact CD1-CB 4.16Å; F140-I160 HydrophobicContact CD1-CG1 3.83Å; F140-I160 HydrophobicContact CE1-CG1 4.27Å; F140-I160 PolarHBondContact O-N 3.12Å; F142-I160 HydrophobicContact CD1-CG1 4.38Å; F142-I160 HydrophobicContact CE1-CD1 3.88Å; F142-I160 HydrophobicContact CE1-CG1 4.09Å; V158-I160 HydrophobicContact CG1-CD1 4.22Å; I160-Y175 VanDerWaalsContact O-CE2 3.23Å; I160-Y175 WeakPolarHBondContact O-CE2 3.41Å; I160-Y175 PolarHBondContact O-OH 2.95Å; I160-L185 HydrophobicContact CD1-CB 3.85Å |
| 161 | G | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -133.6 | 162.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L185 F186 P187 | G161-L185 PolarHBondContact N-O 2.91Å; G161-F186 VanDerWaalsContact O-CA 3.32Å; G161-F186 WeakPolarHBondContact O-CA 3.37Å; G161-P187 VanDerWaalsContact O-CD 3.26Å; G161-P187 WeakPolarHBondContact O-CD 3.39Å | ||
| 162 | I | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -120.4 | 120.3 | 175 | -64 | 164.7 | 0 | 0 | 0 | 109.1 | E42 C98 Y111 K113 Y164 D165 P187 | E42-I162 HydrophobicContact CB-CG2 4.42Å; E42-I162 HydrophobicContact CG-CG2 3.9Å; E42-I162 VanDerWaalsContact OE1-CG2 3.25Å; E42-I162 WeakPolarHBondContact OE1-CG2 3.06Å; C98-I162 HydrophobicContact CB-CD1 3.79Å; C98-I162 HydrophobicContact CB-CG1 4.18Å; Y111-I162 HydrophobicContact CD1-CD1 3.67Å; Y111-I162 HydrophobicContact CD1-CG1 3.76Å; Y111-I162 HydrophobicContact CE1-CB 4.25Å; Y111-I162 HydrophobicContact CE1-CD1 4.02Å; Y111-I162 HydrophobicContact CE1-CG1 3.85Å; K113-I162 HydrophobicContact CB-CB 4.09Å; K113-I162 HydrophobicContact CB-CD1 4.09Å; K113-I162 HydrophobicContact CB-CG2 4.45Å; K113-I162 HydrophobicContact CD-CB 4.11Å; K113-I162 HydrophobicContact CD-CG2 3.79Å; K113-I162 WeakPolarHBondContact CE-O 3.08Å; K113-I162 HydrophobicContact CG-CB 3.96Å; K113-I162 HydrophobicContact CG-CG2 4.22Å; I162-Y164 PolarHBondContact O-N 3.46Å; I162-D165 PolarHBondContact N-OD2 3.42Å; I162-D165 WeakPolarHBondContact O-CB 3.49Å; I162-D165 PolarHBondContact O-N 3.27Å; I162-D165 VanDerWaalsContact O-OD2 3.06Å; I162-P187 CarbonylContact C-O 3.56Å; I162-P187 WeakPolarHBondContact CA-O 3.24Å | ||
| 163 | C | 98.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.014 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | 48.8 | -102.5 | 167.6 | -167.5 | 0 | 0 | 0 | 0 | 114.8 | E42 D165 I166 P187 A188 | E42-C163 VanDerWaalsContact CD-CB 3.45Å; E42-C163 WeakPolarHBondContact OE1-CB 3.33Å; E42-C163 WeakPolarHBondContact OE2-CB 3.47Å; E42-C163 PolarHBondContact OE2-SG 3.17Å; C163-D165 PolarHBondContact O-N 3.04Å; C163-D165 VanDerWaalsContact O-N 3.1Å; C163-I166 WeakPolarHBondContact O-CB 3.21Å; C163-I166 WeakPolarHBondContact O-CG2 3.03Å; C163-I166 PolarHBondContact O-N 3.34Å; C163-P187 PolarHBondContact N-O 2.9Å; C163-A188 VanDerWaalsContact CA-CB 3.41Å; C163-A188 HydrophobicContact CB-CB 3.8Å |
| 164 | Y | 98.5 | Very high | 97.3 | Very high | 41 Ų | 41 | 27.9 Ų | 27.9 | 16% | 0.161 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -59.2 | -24 | -176.4 | -157.4 | -124.1 | 0 | 0 | 0 | 113.2 | H115 L116 F117 I119 I162 I166 R167 F168 | H115-Y164 HydrophobicContact CB-CD1 4.1Å; L116-Y164 WeakPolarHBondContact O-CD1 3.41Å; L116-Y164 WeakPolarHBondContact O-CE1 3.3Å; F117-Y164 HydrophobicContact CB-CG 4.31Å; F117-Y164 AromaticContact CD2-CD2 3.35Å; F117-Y164 HydrophobicContact CD2-CD2 3.35Å; F117-Y164 AromaticContact CD2-CE2 3.58Å; F117-Y164 HydrophobicContact CD2-CE2 3.58Å; F117-Y164 AromaticContact CD2-CG 3.88Å; F117-Y164 HydrophobicContact CD2-CG 3.88Å; F117-Y164 AromaticContact CE2-CD2 3.9Å; F117-Y164 HydrophobicContact CE2-CD2 3.9Å; F117-Y164 AromaticContact CE2-CE2 3.92Å; F117-Y164 HydrophobicContact CE2-CE2 3.92Å; F117-Y164 HydrophobicContact CG-CD2 4.41Å; I119-Y164 HydrophobicContact CG2-CE2 3.72Å; I119-Y164 VanDerWaalsContact CG2-OH 3.31Å; I119-Y164 WeakPolarHBondContact CG2-OH 3.45Å; I162-Y164 PolarHBondContact O-N 3.46Å; Y164-I166 PolarHBondContact O-N 2.93Å; Y164-I166 VanDerWaalsContact O-N 3.12Å; Y164-R167 HydrophobicContact CD2-CG 4.24Å; Y164-R167 HydrophobicContact CE2-CG 4.37Å; Y164-R167 WeakPolarHBondContact O-CB 3.47Å; Y164-R167 PolarHBondContact O-N 2.9Å; Y164-F168 AromaticContact CD1-CE2 3.74Å; Y164-F168 HydrophobicContact CD1-CE2 3.74Å; Y164-F168 HydrophobicContact CD1-CZ 4.24Å; Y164-F168 AromaticContact CE1-CE2 3.88Å; Y164-F168 HydrophobicContact CE1-CE2 3.88Å; Y164-F168 AromaticContact CE1-CZ 3.96Å; Y164-F168 HydrophobicContact CE1-CZ 3.96Å; Y164-F168 HydrophobicContact CG-CE2 4.4Å; Y164-F168 VanDerWaalsContact O-CD2 3.28Å; Y164-F168 WeakPolarHBondContact O-CD2 3.4Å; Y164-F168 WeakPolarHBondContact O-CE2 3.46Å |
| 165 | D | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -53.2 | -30.5 | 171.6 | -71.2 | -41.9 | 0 | 0 | 0 | 112.9 | Y111 L114 H115 I162 C163 R167 F168 L171 F186 | Y111-D165 WeakPolarHBondContact CE1-OD2 3.26Å; Y111-D165 PolarHBondContact OH-OD1 3.01Å; Y111-D165 PolarHBondContact OH-OD2 3.28Å; L114-D165 PolarHBondContact N-OD1 3.22Å; H115-D165 WeakPolarHBondContact CB-OD1 3.25Å; H115-D165 IonicContact CE1-OD1 3.78Å; H115-D165 IonicContact CG-OD1 2.86Å; H115-D165 PolarHBondContact N-OD1 2.97Å; H115-D165 IonicContact ND1-OD1 3.91Å; H115-D165 PolarHBondContact ND1-OD1 2.81Å; I162-D165 PolarHBondContact N-OD2 3.42Å; I162-D165 WeakPolarHBondContact O-CB 3.49Å; I162-D165 PolarHBondContact O-N 3.27Å; I162-D165 VanDerWaalsContact O-OD2 3.06Å; C163-D165 PolarHBondContact O-N 3.04Å; C163-D165 VanDerWaalsContact O-N 3.1Å; D165-R167 PolarHBondContact O-N 3.38Å; D165-F168 PolarHBondContact O-N 2.86Å; D165-F168 VanDerWaalsContact O-N 3.15Å; D165-L171 HydrophobicContact CB-CD2 3.8Å; D165-F186 HydrophobicContact CB-CE1 4.49Å |
| 166 | I | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -64.6 | -21.8 | 178.1 | -155.8 | 176.2 | 0 | 0 | 0 | 112.4 | C163 Y164 F168 F186 F190 L202 R206 M216 | C163-I166 WeakPolarHBondContact O-CB 3.21Å; C163-I166 WeakPolarHBondContact O-CG2 3.03Å; C163-I166 PolarHBondContact O-N 3.34Å; Y164-I166 PolarHBondContact O-N 2.93Å; Y164-I166 VanDerWaalsContact O-N 3.12Å; I166-F168 PolarHBondContact O-N 3.35Å; I166-F186 HydrophobicContact CB-CD1 3.83Å; I166-F186 HydrophobicContact CB-CE1 3.88Å; I166-F186 HydrophobicContact CB-CG 4.29Å; I166-F186 HydrophobicContact CB-CZ 4.37Å; I166-F186 HydrophobicContact CD1-CD2 4.08Å; I166-F186 HydrophobicContact CD1-CE2 4.31Å; I166-F186 HydrophobicContact CD1-CG 4.23Å; I166-F186 HydrophobicContact CG1-CD1 4.16Å; I166-F186 HydrophobicContact CG1-CD2 4.24Å; I166-F186 HydrophobicContact CG1-CE1 4.02Å; I166-F186 HydrophobicContact CG1-CE2 4.1Å; I166-F186 HydrophobicContact CG1-CG 4.27Å; I166-F186 HydrophobicContact CG1-CZ 3.99Å; I166-F190 HydrophobicContact CG2-CE1 4.27Å; I166-F190 HydrophobicContact CG2-CZ 3.75Å; I166-L202 HydrophobicContact CD1-CB 4.02Å; I166-L202 HydrophobicContact CG1-CB 4.25Å; I166-L202 HydrophobicContact CG2-CB 4.19Å; I166-L202 HydrophobicContact CG2-CD1 3.92Å; I166-R206 HydrophobicContact CD1-CG 4.35Å; I166-R206 HydrophobicContact CG1-CG 3.72Å; I166-R206 PolarHBondContact O-NE 2.8Å; I166-R206 PolarHBondContact O-NH2 3.14Å; I166-M216 HydrophobicContact CD1-CE 3.45Å; I166-M216 VanDerWaalsContact CD1-CE 3.45Å; I166-M216 HydrophobicContact CD1-CG 4.05Å; I166-M216 HydrophobicContact CD1-SD 3.44Å; I166-M216 WeakPolarHBondContact CD1-SD 3.28Å |
| 167 | R | 98.4 | Very high | 97.3 | Very high | 61 Ų | 61 | 25 Ų | 25 | 23% | 0.23 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -73.4 | -12.4 | 178.4 | -65.4 | -168.7 | -175.1 | -82.4 | -10.3 | 113.4 | Y164 D165 P169 H198 L202 R206 | Y164-R167 HydrophobicContact CD2-CG 4.24Å; Y164-R167 HydrophobicContact CE2-CG 4.37Å; Y164-R167 WeakPolarHBondContact O-CB 3.47Å; Y164-R167 PolarHBondContact O-N 2.9Å; D165-R167 PolarHBondContact O-N 3.38Å; R167-P169 VanDerWaalsContact O-CD 3.24Å; R167-P169 WeakPolarHBondContact O-CD 3.37Å; R167-H198 PolarHBondContact NH1-ND1 2.77Å; R167-H198 PolarHBondContact NH2-ND1 2.9Å; R167-L202 HydrophobicContact CG-CD1 3.86Å; R167-R206 PolarHBondContact O-NH2 2.97Å |
| 168 | F | 97.6 | Very high | 97 | Very high | 61 Ų | 61 | 25 Ų | 25 | 27% | 0.268 | 12% | 0.121 | S | C | . | . | trans | -105.5 | 93.2 | -176.1 | -59.7 | -94.3 | 0 | 0 | 0 | 109.5 | H115 Y164 D165 I166 E170 L171 | H115-F168 HydrophobicContact CB-CD2 3.63Å; H115-F168 HydrophobicContact CB-CE2 3.24Å; H115-F168 HydrophobicContact CB-CG 4.44Å; H115-F168 HydrophobicContact CB-CZ 3.76Å; H115-F168 AromaticContact CD2-CD1 3.46Å; H115-F168 VanDerWaalsContact CD2-CD1 3.46Å; H115-F168 WeakPolarHBondContact CD2-CD1 3.33Å; H115-F168 AromaticContact CD2-CD2 3.57Å; H115-F168 AromaticContact CD2-CE1 3.52Å; H115-F168 AromaticContact CD2-CE2 3.67Å; H115-F168 AromaticContact CD2-CG 3.48Å; H115-F168 VanDerWaalsContact CD2-CG 3.48Å; H115-F168 WeakPolarHBondContact CD2-CG 3.39Å; H115-F168 AromaticContact CD2-CZ 3.63Å; H115-F168 AromaticContact CE1-CD2 3.96Å; H115-F168 AromaticContact CE1-CG 3.71Å; H115-F168 AromaticContact CG-CD2 3.28Å; H115-F168 AromaticContact CG-CE2 3.38Å; H115-F168 AromaticContact CG-CG 3.67Å; H115-F168 AromaticContact CG-CZ 3.81Å; H115-F168 AromaticContact ND1-CD2 3.55Å; H115-F168 AromaticContact ND1-CG 3.8Å; H115-F168 AromaticContact NE2-CD1 3.62Å; H115-F168 AromaticContact NE2-CD2 4Å; H115-F168 AromaticContact NE2-CG 3.52Å; Y164-F168 AromaticContact CD1-CE2 3.74Å; Y164-F168 HydrophobicContact CD1-CE2 3.74Å; Y164-F168 HydrophobicContact CD1-CZ 4.24Å; Y164-F168 AromaticContact CE1-CE2 3.88Å; Y164-F168 HydrophobicContact CE1-CE2 3.88Å; Y164-F168 AromaticContact CE1-CZ 3.96Å; Y164-F168 HydrophobicContact CE1-CZ 3.96Å; Y164-F168 HydrophobicContact CG-CE2 4.4Å; Y164-F168 VanDerWaalsContact O-CD2 3.28Å; Y164-F168 WeakPolarHBondContact O-CD2 3.4Å; Y164-F168 WeakPolarHBondContact O-CE2 3.46Å; D165-F168 PolarHBondContact O-N 2.86Å; D165-F168 VanDerWaalsContact O-N 3.15Å; I166-F168 PolarHBondContact O-N 3.35Å; F168-E170 PolarHBondContact O-N 3.46Å; F168-E170 VanDerWaalsContact O-N 3.12Å; F168-L171 PolarHBondContact O-N 3Å; F168-L171 VanDerWaalsContact O-N 3.17Å | ||
| 169 | P | 96.5 | Very high | 96.8 | Very high | 44 Ų | 44 | 26.5 Ų | 26.5 | 29% | 0.286 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -58.7 | -25.9 | -176.4 | 25.5 | -34.6 | 0 | 0 | 0 | 112.8 | R167 L171 S172 L173 | R167-P169 VanDerWaalsContact O-CD 3.24Å; R167-P169 WeakPolarHBondContact O-CD 3.37Å; P169-L171 VanDerWaalsContact C-N 3.27Å; P169-L171 PolarHBondContact O-N 3.35Å; P169-S172 PolarHBondContact O-N 3.36Å; P169-L173 HydrophobicContact CB-CD1 4.45Å; P169-L173 WeakPolarHBondContact O-CB 3.39Å; P169-L173 VanDerWaalsContact O-CG 3.24Å; P169-L173 WeakPolarHBondContact O-CG 3.18Å; P169-L173 PolarHBondContact O-N 3.37Å |
| 170 | E | 95.5 | Very high | 96.6 | Very high | 97 Ų | 97 | 28.3 Ų | 28.3 | 45% | 0.453 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -55.4 | -41.5 | 177.5 | -62.1 | 85 | 170 | 0 | 0 | 112 | F168 L173 L174 | F168-E170 PolarHBondContact O-N 3.46Å; F168-E170 VanDerWaalsContact O-N 3.12Å; E170-L173 PolarHBondContact O-N 3Å; E170-L174 WeakPolarHBondContact O-CB 3.42Å; E170-L174 PolarHBondContact O-N 2.91Å |
| 171 | L | 96.5 | Very high | 96.6 | Very high | 9 Ų | 9 | 28.3 Ų | 28.3 | 5% | 0.047 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.3 | -48.1 | 179.6 | 180 | 62.9 | 0 | 0 | 0 | 110.9 | L114 T139 D165 F168 P169 L174 Y175 | L114-L171 HydrophobicContact CD1-CD1 3.98Å; T139-L171 HydrophobicContact CG2-CD1 3.73Å; D165-L171 HydrophobicContact CB-CD2 3.8Å; F168-L171 PolarHBondContact O-N 3Å; F168-L171 VanDerWaalsContact O-N 3.17Å; P169-L171 VanDerWaalsContact C-N 3.27Å; P169-L171 PolarHBondContact O-N 3.35Å; L171-L174 PolarHBondContact O-N 2.92Å; L171-Y175 HydrophobicContact CD1-CD2 4.24Å; L171-Y175 HydrophobicContact CD1-CE2 3.58Å; L171-Y175 HydrophobicContact CD2-CE2 4.05Å; L171-Y175 HydrophobicContact CG-CD2 4.03Å; L171-Y175 HydrophobicContact CG-CE2 3.55Å; L171-Y175 VanDerWaalsContact O-CD2 3.31Å; L171-Y175 WeakPolarHBondContact O-CD2 3.47Å; L171-Y175 PolarHBondContact O-N 3.27Å |
| 172 | S | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.2 | -39.9 | 178.8 | -55.8 | 0 | 0 | 0 | 0 | 112.1 | P169 L174 Y175 A176 R206 | P169-S172 PolarHBondContact O-N 3.36Å; S172-L174 VanDerWaalsContact C-N 3.33Å; S172-L174 PolarHBondContact O-N 2.97Å; S172-Y175 PolarHBondContact O-N 2.93Å; S172-A176 PolarHBondContact O-N 3.3Å; S172-R206 WeakPolarHBondContact OG-CD 3.32Å |
| 173 | L | 95.6 | Very high | 96.5 | Very high | 48 Ų | 48 | 30.1 Ų | 30.1 | 25% | 0.251 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -65.4 | -36 | 175.4 | -71.9 | 170.2 | 0 | 0 | 0 | 112 | P169 E170 N177 T210 T282 | P169-L173 HydrophobicContact CB-CD1 4.45Å; P169-L173 WeakPolarHBondContact O-CB 3.39Å; P169-L173 VanDerWaalsContact O-CG 3.24Å; P169-L173 WeakPolarHBondContact O-CG 3.18Å; P169-L173 PolarHBondContact O-N 3.37Å; E170-L173 PolarHBondContact O-N 3Å; L173-N177 WeakPolarHBondContact O-CB 3.46Å; L173-N177 PolarHBondContact O-N 3.28Å; L173-N177 PolarHBondContact O-ND2 3.23Å; L173-T210 HydrophobicContact CD2-CG2 4.3Å; L173-T282 HydrophobicContact CB-CG2 4.25Å |
| 174 | L | 95 | Very high | 96.5 | Very high | 17 Ų | 17 | 30 Ų | 30 | 9% | 0.089 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66 | -46.2 | 174.4 | 177 | 161.7 | 0 | 0 | 0 | 110.4 | T139 E170 L171 S172 A176 Q178 L179 T282 L285 | T139-L174 HydrophobicContact CG2-CD1 4.5Å; T139-L174 HydrophobicContact CG2-CD2 4.12Å; E170-L174 WeakPolarHBondContact O-CB 3.42Å; E170-L174 PolarHBondContact O-N 2.91Å; L171-L174 PolarHBondContact O-N 2.92Å; S172-L174 VanDerWaalsContact C-N 3.33Å; S172-L174 PolarHBondContact O-N 2.97Å; L174-A176 PolarHBondContact O-N 3.31Å; L174-Q178 WeakPolarHBondContact O-CB 3.49Å; L174-Q178 PolarHBondContact O-N 3.04Å; L174-L179 HydrophobicContact CD2-CD1 4.32Å; L174-L179 HydrophobicContact CD2-CG 4.38Å; L174-L179 PolarHBondContact O-N 2.98Å; L174-T282 HydrophobicContact CB-CG2 4.38Å; L174-L285 HydrophobicContact CD1-CD2 3.99Å; L174-L285 HydrophobicContact CD1-CG 3.81Å; L174-L285 HydrophobicContact CD2-CD1 3.86Å; L174-L285 HydrophobicContact CD2-CD2 3.84Å; L174-L285 HydrophobicContact CD2-CG 3.7Å; L174-L285 HydrophobicContact CG-CD1 4.39Å; L174-L285 HydrophobicContact CG-CD2 4.37Å; L174-L285 HydrophobicContact CG-CG 3.92Å |
| 175 | Y | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.1 | -49.5 | 175.5 | -74.4 | -42.5 | 0 | 0 | 0 | 112.2 | T139 F140 I160 L171 S172 L179 G180 C181 L184 | T139-Y175 HydrophobicContact CG2-CE1 4.46Å; F140-Y175 PolarHBondContact N-OH 2.96Å; F140-Y175 VanDerWaalsContact N-OH 3.11Å; F140-Y175 WeakPolarHBondContact O-CE1 3.44Å; F140-Y175 PolarHBondContact O-OH 2.8Å; I160-Y175 VanDerWaalsContact O-CE2 3.23Å; I160-Y175 WeakPolarHBondContact O-CE2 3.41Å; I160-Y175 PolarHBondContact O-OH 2.95Å; L171-Y175 HydrophobicContact CD1-CD2 4.24Å; L171-Y175 HydrophobicContact CD1-CE2 3.58Å; L171-Y175 HydrophobicContact CD2-CE2 4.05Å; L171-Y175 HydrophobicContact CG-CD2 4.03Å; L171-Y175 HydrophobicContact CG-CE2 3.55Å; L171-Y175 VanDerWaalsContact O-CD2 3.31Å; L171-Y175 WeakPolarHBondContact O-CD2 3.47Å; L171-Y175 PolarHBondContact O-N 3.27Å; S172-Y175 PolarHBondContact O-N 2.93Å; Y175-L179 HydrophobicContact CD1-CD1 3.88Å; Y175-L179 HydrophobicContact CE1-CD1 4.19Å; Y175-L179 CarbonylContact O-C 3.51Å; Y175-L179 WeakPolarHBondContact O-CA 3.15Å; Y175-L179 WeakPolarHBondContact O-CB 3.38Å; Y175-L179 PolarHBondContact O-N 2.85Å; Y175-G180 PolarHBondContact O-N 3.23Å; Y175-C181 WeakPolarHBondContact O-CB 3.14Å; Y175-C181 PolarHBondContact O-N 2.64Å; Y175-C181 PolarHBondContact O-SG 3.27Å; Y175-L184 HydrophobicContact CD2-CD2 4.01Å; Y175-L184 HydrophobicContact CG-CD2 4.07Å |
| 176 | A | 95.6 | Very high | 96.6 | Very high | 9 Ų | 9 | 28.1 Ų | 28.1 | 7% | 0.074 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -71.3 | -49.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | S172 L174 G180 T210 | S172-A176 PolarHBondContact O-N 3.3Å; L174-A176 PolarHBondContact O-N 3.31Å; A176-G180 VanDerWaalsContact O-CA 3.3Å; A176-G180 WeakPolarHBondContact O-CA 3.39Å; A176-G180 PolarHBondContact O-N 2.97Å; A176-T210 HydrophobicContact CB-CG2 4.09Å |
| 177 | N | 92.6 | Very high | 96.6 | Very high | 61 Ų | 61 | 28.1 Ų | 28.1 | 33% | 0.326 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -86.3 | -30.5 | -168.9 | -62.4 | -57.2 | 0 | 0 | 0 | 114.2 | L173 | L173-N177 WeakPolarHBondContact O-CB 3.46Å; L173-N177 PolarHBondContact O-N 3.28Å; L173-N177 PolarHBondContact O-ND2 3.23Å |
| 178 | Q | 91.5 | Very high | 96.6 | Very high | 73 Ų | 73 | 25.2 Ų | 25.2 | 34% | 0.341 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -37.7 | -178.1 | -65.1 | -176.2 | 20.7 | 0 | 0 | 112.2 | L174 P283 L285 | L174-Q178 WeakPolarHBondContact O-CB 3.49Å; L174-Q178 PolarHBondContact O-N 3.04Å; Q178-P283 PolarHBondContact NE2-O 3.03Å; Q178-L285 VanDerWaalsContact OE1-N 3.1Å |
| 179 | L | 93.8 | Very high | 96.6 | Very high | 32 Ų | 32 | 22.3 Ų | 22.3 | 17% | 0.168 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -94.1 | -13.3 | 178.5 | -60.1 | -172.1 | 0 | 0 | 0 | 112.8 | S141 R157 L174 Y175 C181 L285 | S141-L179 WeakPolarHBondContact OG-CD1 3.23Å; R157-L179 WeakPolarHBondContact CD-O 3.32Å; R157-L179 PolarHBondContact NE-O 3.15Å; R157-L179 PolarHBondContact NH1-O 2.81Å; L174-L179 HydrophobicContact CD2-CD1 4.32Å; L174-L179 HydrophobicContact CD2-CG 4.38Å; L174-L179 PolarHBondContact O-N 2.98Å; Y175-L179 HydrophobicContact CD1-CD1 3.88Å; Y175-L179 HydrophobicContact CE1-CD1 4.19Å; Y175-L179 CarbonylContact O-C 3.51Å; Y175-L179 WeakPolarHBondContact O-CA 3.15Å; Y175-L179 WeakPolarHBondContact O-CB 3.38Å; Y175-L179 PolarHBondContact O-N 2.85Å; L179-C181 VanDerWaalsContact C-N 3.29Å; L179-L285 HydrophobicContact CD1-CD1 4.03Å; L179-L285 HydrophobicContact CD2-CD1 3.38Å; L179-L285 HydrophobicContact CG-CD1 3.75Å |
| 180 | G | 95 | Very high | 96.6 | Very high | 38 Ų | 38 | 20.5 Ų | 20.5 | 39% | 0.392 | 11% | 0.112 | S | C | . | . | trans | 72.3 | 24 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y175 A176 | Y175-G180 PolarHBondContact O-N 3.23Å; A176-G180 VanDerWaalsContact O-CA 3.3Å; A176-G180 WeakPolarHBondContact O-CA 3.39Å; A176-G180 PolarHBondContact O-N 2.97Å | ||
| 181 | C | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -57.5 | 145.2 | 175.5 | -64.5 | 0 | 0 | 0 | 0 | 111 | R157 Y175 L179 L184 C212 R266 | R157-C181 WeakPolarHBondContact O-CA 3.4Å; Y175-C181 WeakPolarHBondContact O-CB 3.14Å; Y175-C181 PolarHBondContact O-N 2.64Å; Y175-C181 PolarHBondContact O-SG 3.27Å; L179-C181 VanDerWaalsContact C-N 3.29Å; C181-L184 HydrophobicContact CB-CD2 3.92Å; C181-C212 PolarHBondContact O-SG 3.17Å; C181-R266 PolarHBondContact O-NH2 2.94Å; C181-R266 VanDerWaalsContact O-NH2 3.1Å | ||
| 182 | Q | 98.2 | Very high | 96.4 | Very high | 39 Ų | 39 | 18.9 Ų | 18.9 | 18% | 0.182 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -115.3 | -17.9 | 175.3 | -62.7 | 129.4 | -52.8 | 0 | 0 | 111.7 | I156 R157 C212 Y213 F259 L262 | I156-Q182 VanDerWaalsContact CA-OE1 3.31Å; I156-Q182 HydrophobicContact CG2-CB 4.32Å; R157-Q182 PolarHBondContact O-N 2.95Å; Q182-C212 WeakPolarHBondContact O-CA 3.44Å; Q182-C212 WeakPolarHBondContact O-CB 3.12Å; Q182-Y213 PolarHBondContact O-N 2.87Å; Q182-F259 HydrophobicContact CB-CD1 3.72Å; Q182-F259 HydrophobicContact CB-CE1 3.51Å; Q182-F259 HydrophobicContact CG-CD1 4.36Å; Q182-L262 HydrophobicContact CB-CD1 3.81Å; Q182-L262 HydrophobicContact CG-CD1 4.35Å; Q182-L262 HydrophobicContact CG-CD2 4.25Å; Q182-L262 VanDerWaalsContact O-CD1 3.31Å; Q182-L262 WeakPolarHBondContact O-CD1 3.33Å |
| 183 | L | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137 | 173.1 | 172.4 | 62.8 | 0 | 0 | 0 | 108.9 | L4 L37 R157 V158 G159 L185 Y213 L257 | L4-L183 HydrophobicContact CD2-CD1 4.34Å; L4-L183 HydrophobicContact CD2-CD2 4.44Å; L37-L183 HydrophobicContact CD2-CD2 3.72Å; R157-L183 PolarHBondContact O-N 3.12Å; V158-L183 CarbonylContact C-O 3.59Å; V158-L183 VanDerWaalsContact CA-O 3.29Å; V158-L183 WeakPolarHBondContact CA-O 3.34Å; V158-L183 HydrophobicContact CG1-CB 4.43Å; V158-L183 HydrophobicContact CG1-CD2 4.09Å; V158-L183 HydrophobicContact CG1-CG 4.09Å; V158-L183 HydrophobicContact CG2-CB 4.3Å; V158-L183 HydrophobicContact CG2-CD2 4.09Å; G159-L183 PolarHBondContact N-O 3.07Å; L183-L185 HydrophobicContact CD1-CD2 4.02Å; L183-L185 HydrophobicContact CD1-CG 4.39Å; L183-L185 HydrophobicContact CD2-CD1 4.28Å; L183-L185 HydrophobicContact CD2-CD2 4.2Å; L183-L185 HydrophobicContact CD2-CG 4.08Å; L183-L185 HydrophobicContact CG-CD2 4.23Å; L183-L185 HydrophobicContact CG-CG 4.08Å; L183-Y213 CarbonylContact C-O 3.49Å; L183-Y213 WeakPolarHBondContact CA-O 3.35Å; L183-L257 HydrophobicContact CD1-CD1 3.92Å; L183-L257 HydrophobicContact CD2-CD1 3.99Å; L183-L257 HydrophobicContact CG-CD1 4.45Å |
| 184 | L | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 130 | 168.6 | -50.5 | 178.5 | 0 | 0 | 0 | 108.5 | G159 Y175 C181 F186 T210 C212 Y213 V214 G215 | G159-L184 WeakPolarHBondContact O-CA 3.5Å; Y175-L184 HydrophobicContact CD2-CD2 4.01Å; Y175-L184 HydrophobicContact CG-CD2 4.07Å; C181-L184 HydrophobicContact CB-CD2 3.92Å; L184-F186 HydrophobicContact CB-CE2 3.72Å; L184-F186 HydrophobicContact CB-CZ 4.36Å; L184-T210 HydrophobicContact CD1-CG2 4.27Å; L184-C212 HydrophobicContact CD1-CB 4.48Å; L184-C212 HydrophobicContact CG-CB 4.17Å; L184-Y213 PolarHBondContact N-O 3.36Å; L184-V214 HydrophobicContact CB-CG2 4.28Å; L184-V214 HydrophobicContact CD1-CG2 4.41Å; L184-V214 CarbonylContact O-C 3.6Å; L184-V214 WeakPolarHBondContact O-CA 3.42Å; L184-G215 PolarHBondContact O-N 3.34Å |
| 185 | L | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 135 | 176.8 | -70.1 | -179.6 | 0 | 0 | 0 | 111.2 | L4 L6 L37 C39 V81 V158 G159 I160 G161 L183 G215 | L4-L185 HydrophobicContact CD1-CD1 4.44Å; L4-L185 HydrophobicContact CD1-CD2 4.23Å; L4-L185 HydrophobicContact CD2-CD2 3.83Å; L6-L185 HydrophobicContact CD2-CD2 4.41Å; L37-L185 HydrophobicContact CD2-CD1 3.79Å; L37-L185 HydrophobicContact CG-CD1 4.39Å; C39-L185 HydrophobicContact CB-CD1 4.38Å; V81-L185 HydrophobicContact CB-CD1 4.47Å; V81-L185 HydrophobicContact CG2-CD1 3.91Å; V158-L185 HydrophobicContact CG1-CB 4.5Å; V158-L185 HydrophobicContact CG1-CD1 3.95Å; V158-L185 HydrophobicContact CG1-CG 4.01Å; G159-L185 PolarHBondContact O-N 3.31Å; I160-L185 HydrophobicContact CD1-CB 3.85Å; G161-L185 PolarHBondContact N-O 2.91Å; L183-L185 HydrophobicContact CD1-CD2 4.02Å; L183-L185 HydrophobicContact CD1-CG 4.39Å; L183-L185 HydrophobicContact CD2-CD1 4.28Å; L183-L185 HydrophobicContact CD2-CD2 4.2Å; L183-L185 HydrophobicContact CD2-CG 4.08Å; L183-L185 HydrophobicContact CG-CD2 4.23Å; L183-L185 HydrophobicContact CG-CG 4.08Å; L185-G215 CarbonylContact C-O 3.54Å; L185-G215 WeakPolarHBondContact CA-O 3.2Å |
| 186 | F | 98.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 90.1 | 178.1 | -60.6 | -90.3 | 0 | 0 | 0 | 110.7 | G161 D165 I166 L184 A188 V214 G215 M216 C217 | G161-F186 VanDerWaalsContact O-CA 3.32Å; G161-F186 WeakPolarHBondContact O-CA 3.37Å; D165-F186 HydrophobicContact CB-CE1 4.49Å; I166-F186 HydrophobicContact CB-CD1 3.83Å; I166-F186 HydrophobicContact CB-CE1 3.88Å; I166-F186 HydrophobicContact CB-CG 4.29Å; I166-F186 HydrophobicContact CB-CZ 4.37Å; I166-F186 HydrophobicContact CD1-CD2 4.08Å; I166-F186 HydrophobicContact CD1-CE2 4.31Å; I166-F186 HydrophobicContact CD1-CG 4.23Å; I166-F186 HydrophobicContact CG1-CD1 4.16Å; I166-F186 HydrophobicContact CG1-CD2 4.24Å; I166-F186 HydrophobicContact CG1-CE1 4.02Å; I166-F186 HydrophobicContact CG1-CE2 4.1Å; I166-F186 HydrophobicContact CG1-CG 4.27Å; I166-F186 HydrophobicContact CG1-CZ 3.99Å; L184-F186 HydrophobicContact CB-CE2 3.72Å; L184-F186 HydrophobicContact CB-CZ 4.36Å; F186-A188 PolarHBondContact O-N 3.18Å; F186-V214 HydrophobicContact CD2-CG1 3.99Å; F186-V214 HydrophobicContact CE2-CG1 4.09Å; F186-G215 PolarHBondContact N-O 3.32Å; F186-M216 HydrophobicContact CB-CG 4.3Å; F186-M216 CarbonylContact O-C 3.55Å; F186-M216 WeakPolarHBondContact O-CA 3.38Å; F186-C217 PolarHBondContact O-N 2.79Å |
| 187 | P | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 124 | 156.1 | -20.7 | 33.4 | 0 | 0 | 0 | 108.7 | V81 G161 I162 C163 C217 | V81-P187 HydrophobicContact CG1-CG 4.12Å; G161-P187 VanDerWaalsContact O-CD 3.26Å; G161-P187 WeakPolarHBondContact O-CD 3.39Å; I162-P187 CarbonylContact C-O 3.56Å; I162-P187 WeakPolarHBondContact CA-O 3.24Å; C163-P187 PolarHBondContact N-O 2.9Å; P187-C217 CarbonylContact C-O 3.51Å; P187-C217 WeakPolarHBondContact CA-O 3.25Å |
| 188 | A | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -160.6 | 136.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | C163 F186 W199 C217 S218 | C163-A188 VanDerWaalsContact CA-CB 3.41Å; C163-A188 HydrophobicContact CB-CB 3.8Å; F186-A188 PolarHBondContact O-N 3.18Å; A188-W199 HydrophobicContact CB-CH2 3.57Å; A188-W199 HydrophobicContact CB-CZ3 3.54Å; A188-W199 WeakPolarHBondContact O-CH2 3.44Å; A188-C217 PolarHBondContact N-O 2.88Å; A188-S218 WeakPolarHBondContact O-CA 3.27Å; A188-S218 VanDerWaalsContact O-CB 3.25Å; A188-S218 WeakPolarHBondContact O-CB 3.29Å | ||
| 189 | A | 97.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | trans | -119.8 | 98.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | E42 I48 P219 Y227 | E42-A189 HydrophobicContact CB-CB 4.43Å; E42-A189 PolarHBondContact OE2-N 3.14Å; I48-A189 HydrophobicContact CD1-CB 3.22Å; A189-P219 HydrophobicContact CB-CG 4.08Å; A189-Y227 HydrophobicContact CB-CE1 4.29Å; A189-Y227 PolarHBondContact O-OH 3.04Å | ||
| 190 | F | 97.3 | Very high | 97 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 2% | 0.022 | 16% | 0.156 | C | C | . | . | trans | -83.9 | 151.4 | 169.7 | -83.9 | 31 | 0 | 0 | 0 | 109.8 | I166 H198 W199 L202 S229 H230 | I166-F190 HydrophobicContact CG2-CE1 4.27Å; I166-F190 HydrophobicContact CG2-CZ 3.75Å; F190-H198 HydrophobicContact CE2-CB 4.32Å; F190-W199 HydrophobicContact CB-CE3 3.82Å; F190-W199 HydrophobicContact CB-CZ3 4.12Å; F190-W199 AromaticContact CD1-CE3 3.69Å; F190-W199 HydrophobicContact CD1-CE3 3.69Å; F190-W199 AromaticContact CD1-CZ3 3.6Å; F190-W199 HydrophobicContact CD1-CZ3 3.6Å; F190-W199 HydrophobicContact CD2-CB 4.34Å; F190-W199 AromaticContact CD2-CE3 3.69Å; F190-W199 HydrophobicContact CD2-CE3 3.69Å; F190-W199 HydrophobicContact CD2-CZ3 4.44Å; F190-W199 HydrophobicContact CE1-CE3 4.11Å; F190-W199 HydrophobicContact CE1-CZ3 4.06Å; F190-W199 HydrophobicContact CE2-CE3 4.09Å; F190-W199 AromaticContact CG-CE3 3.46Å; F190-W199 HydrophobicContact CG-CE3 3.46Å; F190-W199 VanDerWaalsContact CG-CE3 3.46Å; F190-W199 AromaticContact CG-CZ3 3.82Å; F190-W199 HydrophobicContact CG-CZ3 3.82Å; F190-W199 HydrophobicContact CZ-CE3 4.29Å; F190-L202 HydrophobicContact CE2-CD1 3.91Å; F190-L202 HydrophobicContact CZ-CD1 3.97Å; F190-S229 CarbonylContact O-C 3.5Å; F190-H230 HydrophobicContact CB-CB 4.19Å; F190-H230 VanDerWaalsContact O-CB 3.25Å; F190-H230 WeakPolarHBondContact O-CB 3.39Å; F190-H230 PolarHBondContact O-N 3.43Å | ||
| 191 | N | 94.5 | Very high | 97.1 | Very high | 7 Ų | 7 | 30.8 Ų | 30.8 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | trans | -78.4 | 164.9 | 171 | 66 | 43.2 | 0 | 0 | 0 | 110.7 | F125 K193 T194 G195 Y227 | F125-N191 WeakPolarHBondContact CD1-ND2 3.48Å; F125-N191 VanDerWaalsContact CE1-ND2 3.28Å; F125-N191 WeakPolarHBondContact CE1-ND2 3.37Å; N191-K193 PolarHBondContact O-N 2.81Å; N191-K193 VanDerWaalsContact O-N 3.14Å; N191-K193 PolarHBondContact OD1-N 2.8Å; N191-T194 VanDerWaalsContact CG-OG1 3.3Å; N191-T194 PolarHBondContact N-OG1 2.79Å; N191-T194 PolarHBondContact O-N 2.91Å; N191-T194 PolarHBondContact O-OG1 2.96Å; N191-T194 WeakPolarHBondContact OD1-CB 3.39Å; N191-T194 PolarHBondContact OD1-N 3.28Å; N191-T194 PolarHBondContact OD1-OG1 3.21Å; N191-G195 WeakPolarHBondContact O-CA 3.26Å; N191-G195 PolarHBondContact O-N 2.52Å; N191-Y227 HydrophobicContact CB-CE1 4.37Å; N191-Y227 HydrophobicContact CB-CE2 4.22Å; N191-Y227 PolarHBondContact N-OH 3.31Å | ||
| 192 | P | 93.6 | Very high | 97.2 | Very high | 65 Ų | 65 | 31.8 Ų | 31.8 | 42% | 0.422 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -59.3 | -32.9 | -174.9 | -27.2 | 37.3 | 0 | 0 | 0 | 113.9 | S196 I228 | P192-S196 WeakPolarHBondContact O-CB 3.28Å; P192-S196 PolarHBondContact O-N 2.78Å; P192-S196 PolarHBondContact O-OG 2.91Å; P192-I228 WeakPolarHBondContact CD-O 3.26Å; P192-I228 HydrophobicContact CG-CB 4.23Å; P192-I228 HydrophobicContact CG-CG2 4.03Å |
| 193 | K | 92.1 | Very high | 97.2 | Very high | 99 Ų | 99 | 30 Ų | 30 | 43% | 0.43 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -70.4 | -54.6 | -179.8 | 178.7 | 62.6 | 176.4 | -169.5 | 0 | 111.9 | Q124 N191 G195 S196 L197 | Q124-K193 VanDerWaalsContact OE1-CE 3.27Å; N191-K193 PolarHBondContact O-N 2.81Å; N191-K193 VanDerWaalsContact O-N 3.14Å; N191-K193 PolarHBondContact OD1-N 2.8Å; K193-G195 VanDerWaalsContact C-N 3.3Å; K193-S196 PolarHBondContact O-OG 2.9Å; K193-S196 VanDerWaalsContact O-OG 3.06Å; K193-L197 HydrophobicContact CD-CD1 4.4Å |
| 194 | T | 94.5 | Very high | 97.2 | Very high | 7 Ų | 7 | 35.4 Ų | 35.4 | 4% | 0.043 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.8 | -30.4 | 179.4 | 56.5 | 0 | 0 | 0 | 0 | 111.6 | I119 I121 N191 H198 | I119-T194 HydrophobicContact CD1-CG2 4.44Å; I121-T194 HydrophobicContact CD1-CG2 4.21Å; N191-T194 VanDerWaalsContact CG-OG1 3.3Å; N191-T194 PolarHBondContact N-OG1 2.79Å; N191-T194 PolarHBondContact O-N 2.91Å; N191-T194 PolarHBondContact O-OG1 2.96Å; N191-T194 WeakPolarHBondContact OD1-CB 3.39Å; N191-T194 PolarHBondContact OD1-N 3.28Å; N191-T194 PolarHBondContact OD1-OG1 3.21Å; T194-H198 WeakPolarHBondContact O-CA 3.4Å; T194-H198 VanDerWaalsContact O-CB 3.26Å; T194-H198 WeakPolarHBondContact O-CB 3.16Å; T194-H198 PolarHBondContact O-N 2.97Å |
| 195 | G | 96 | Very high | 97.2 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.9 | -56.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | N191 K193 L197 H198 W199 | N191-G195 WeakPolarHBondContact O-CA 3.26Å; N191-G195 PolarHBondContact O-N 2.52Å; K193-G195 VanDerWaalsContact C-N 3.3Å; G195-L197 PolarHBondContact O-N 3.35Å; G195-L197 VanDerWaalsContact O-N 3.12Å; G195-H198 PolarHBondContact O-N 2.94Å; G195-W199 WeakPolarHBondContact O-CB 3.41Å; G195-W199 PolarHBondContact O-N 3.02Å |
| 196 | S | 95.2 | Very high | 97.2 | Very high | 84 Ų | 84 | 37.6 Ų | 37.6 | 59% | 0.587 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -59.7 | -27.5 | -178.5 | 55 | 0 | 0 | 0 | 0 | 114.2 | P192 K193 H230 | P192-S196 WeakPolarHBondContact O-CB 3.28Å; P192-S196 PolarHBondContact O-N 2.78Å; P192-S196 PolarHBondContact O-OG 2.91Å; K193-S196 PolarHBondContact O-OG 2.9Å; K193-S196 VanDerWaalsContact O-OG 3.06Å; S196-H230 PolarHBondContact N-CE1 3.29Å |
| 197 | L | 96.4 | Very high | 97.2 | Very high | 98 Ų | 98 | 37.5 Ų | 37.5 | 51% | 0.513 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -94.3 | -38.2 | -179.5 | -63.4 | 174.7 | 0 | 0 | 0 | 113.5 | K193 G195 | K193-L197 HydrophobicContact CD-CD1 4.4Å; G195-L197 PolarHBondContact O-N 3.35Å; G195-L197 VanDerWaalsContact O-N 3.12Å |
| 198 | H | 98 | Very high | 97.2 | Very high | 66 Ų | 66 | 41.8 Ų | 41.8 | 31% | 0.306 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -122.8 | -17.8 | -162.7 | -54.9 | 144.6 | 0 | 0 | 0 | 114.5 | R167 F190 T194 G195 L202 | R167-H198 PolarHBondContact NH1-ND1 2.77Å; R167-H198 PolarHBondContact NH2-ND1 2.9Å; F190-H198 HydrophobicContact CE2-CB 4.32Å; T194-H198 WeakPolarHBondContact O-CA 3.4Å; T194-H198 VanDerWaalsContact O-CB 3.26Å; T194-H198 WeakPolarHBondContact O-CB 3.16Å; T194-H198 PolarHBondContact O-N 2.97Å; G195-H198 PolarHBondContact O-N 2.94Å; H198-L202 HydrophobicContact CB-CD1 3.82Å; H198-L202 HydrophobicContact CB-CG 4.33Å; H198-L202 VanDerWaalsContact O-CB 3.24Å; H198-L202 WeakPolarHBondContact O-CB 3.5Å; H198-L202 WeakPolarHBondContact O-CD1 3.44Å; H198-L202 WeakPolarHBondContact O-CG 3.43Å; H198-L202 PolarHBondContact O-N 2.82Å |
| 199 | W | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.4 | -62.6 | -172.1 | -179.3 | -110.4 | 0 | 0 | 0 | 112.2 | A188 F190 G195 L201 L202 G203 M216 H230 E232 L234 | A188-W199 HydrophobicContact CB-CH2 3.57Å; A188-W199 HydrophobicContact CB-CZ3 3.54Å; A188-W199 WeakPolarHBondContact O-CH2 3.44Å; F190-W199 HydrophobicContact CB-CE3 3.82Å; F190-W199 HydrophobicContact CB-CZ3 4.12Å; F190-W199 AromaticContact CD1-CE3 3.69Å; F190-W199 HydrophobicContact CD1-CE3 3.69Å; F190-W199 AromaticContact CD1-CZ3 3.6Å; F190-W199 HydrophobicContact CD1-CZ3 3.6Å; F190-W199 HydrophobicContact CD2-CB 4.34Å; F190-W199 AromaticContact CD2-CE3 3.69Å; F190-W199 HydrophobicContact CD2-CE3 3.69Å; F190-W199 HydrophobicContact CD2-CZ3 4.44Å; F190-W199 HydrophobicContact CE1-CE3 4.11Å; F190-W199 HydrophobicContact CE1-CZ3 4.06Å; F190-W199 HydrophobicContact CE2-CE3 4.09Å; F190-W199 AromaticContact CG-CE3 3.46Å; F190-W199 HydrophobicContact CG-CE3 3.46Å; F190-W199 VanDerWaalsContact CG-CE3 3.46Å; F190-W199 AromaticContact CG-CZ3 3.82Å; F190-W199 HydrophobicContact CG-CZ3 3.82Å; F190-W199 HydrophobicContact CZ-CE3 4.29Å; G195-W199 WeakPolarHBondContact O-CB 3.41Å; G195-W199 PolarHBondContact O-N 3.02Å; W199-L201 PolarHBondContact O-N 2.98Å; W199-L202 PolarHBondContact O-N 3.1Å; W199-G203 PolarHBondContact O-N 3.11Å; W199-G203 VanDerWaalsContact O-N 3.11Å; W199-M216 HydrophobicContact CD2-CE 3.44Å; W199-M216 VanDerWaalsContact CD2-CE 3.44Å; W199-M216 HydrophobicContact CE3-CE 3.29Å; W199-M216 HydrophobicContact CG-CE 4.19Å; W199-M216 HydrophobicContact CH2-CB 3.93Å; W199-M216 HydrophobicContact CH2-CE 3.83Å; W199-M216 HydrophobicContact CZ2-CB 3.57Å; W199-M216 HydrophobicContact CZ2-CE 3.92Å; W199-M216 HydrophobicContact CZ3-CE 3.52Å; W199-H230 AromaticContact CD1-CD2 3.82Å; W199-H230 AromaticContact CG-CD2 3.81Å; W199-E232 PolarHBondContact NE1-O 2.84Å; W199-L234 HydrophobicContact CG-CD2 4.34Å; W199-L234 VanDerWaalsContact NE1-CD2 3.32Å |
| 200 | E | 98.7 | Very high | 97.1 | Very high | 66 Ų | 66 | 46.1 Ų | 46.1 | 31% | 0.308 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.2 | -39.3 | 179.6 | -170.6 | -179.2 | 124.5 | 0 | 0 | 111.8 | L202 G203 R204 L234 V242 K245 | E200-L202 VanDerWaalsContact C-N 3.34Å; E200-L202 PolarHBondContact O-N 2.84Å; E200-G203 PolarHBondContact O-N 3.31Å; E200-R204 HydrophobicContact CG-CG 4.27Å; E200-R204 WeakPolarHBondContact O-CB 3.44Å; E200-R204 VanDerWaalsContact O-CG 3.28Å; E200-R204 WeakPolarHBondContact O-CG 3.44Å; E200-R204 PolarHBondContact O-N 3.33Å; E200-L234 HydrophobicContact CB-CD2 4.24Å; E200-L234 HydrophobicContact CG-CD2 4.38Å; E200-V242 HydrophobicContact CG-CG2 3.83Å; E200-K245 IonicContact OE2-NZ 2.67Å; E200-K245 PolarHBondContact OE2-NZ 3.36Å |
| 201 | L | 98.7 | Very high | 97.1 | Very high | 106 Ų | 106 | 46.5 Ų | 46.5 | 56% | 0.555 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -57.2 | -47.1 | 177.8 | 175.4 | 61.6 | 0 | 0 | 0 | 111.5 | W199 R204 A205 | W199-L201 PolarHBondContact O-N 2.98Å; L201-R204 PolarHBondContact O-N 2.92Å; L201-A205 VanDerWaalsContact O-CB 3.26Å; L201-A205 WeakPolarHBondContact O-CB 3.4Å; L201-A205 PolarHBondContact O-N 2.9Å |
| 202 | L | 98.8 | Very high | 97.3 | Very high | 21 Ų | 21 | 46.1 Ų | 46.1 | 11% | 0.11 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.8 | -42.4 | -179.9 | -71.3 | 166.6 | 0 | 0 | 0 | 111.3 | I166 R167 F190 H198 W199 E200 R204 A205 R206 | I166-L202 HydrophobicContact CD1-CB 4.02Å; I166-L202 HydrophobicContact CG1-CB 4.25Å; I166-L202 HydrophobicContact CG2-CB 4.19Å; I166-L202 HydrophobicContact CG2-CD1 3.92Å; R167-L202 HydrophobicContact CG-CD1 3.86Å; F190-L202 HydrophobicContact CE2-CD1 3.91Å; F190-L202 HydrophobicContact CZ-CD1 3.97Å; H198-L202 HydrophobicContact CB-CD1 3.82Å; H198-L202 HydrophobicContact CB-CG 4.33Å; H198-L202 VanDerWaalsContact O-CB 3.24Å; H198-L202 WeakPolarHBondContact O-CB 3.5Å; H198-L202 WeakPolarHBondContact O-CD1 3.44Å; H198-L202 WeakPolarHBondContact O-CG 3.43Å; H198-L202 PolarHBondContact O-N 2.82Å; W199-L202 PolarHBondContact O-N 3.1Å; E200-L202 VanDerWaalsContact C-N 3.34Å; E200-L202 PolarHBondContact O-N 2.84Å; L202-R204 VanDerWaalsContact C-N 3.33Å; L202-R204 PolarHBondContact O-N 3.34Å; L202-A205 PolarHBondContact O-N 2.89Å; L202-R206 WeakPolarHBondContact O-CG 3.23Å; L202-R206 PolarHBondContact O-N 2.94Å |
| 203 | G | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.2 | -47.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | W199 E200 A207 M216 | W199-G203 PolarHBondContact O-N 3.11Å; W199-G203 VanDerWaalsContact O-N 3.11Å; E200-G203 PolarHBondContact O-N 3.31Å; G203-A207 WeakPolarHBondContact O-CB 3.32Å; G203-A207 PolarHBondContact O-N 2.87Å; G203-M216 WeakPolarHBondContact CA-SD 3.42Å |
| 204 | R | 98.9 | Very high | 97.9 | Very high | 115 Ų | 115 | 38.4 Ų | 38.4 | 43% | 0.434 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.2 | -45.3 | 176.6 | -68.3 | 176.8 | 63.1 | -154.9 | -7.6 | 113.1 | E200 L201 L202 A207 L208 T236 G240 V242 | E200-R204 HydrophobicContact CG-CG 4.27Å; E200-R204 WeakPolarHBondContact O-CB 3.44Å; E200-R204 VanDerWaalsContact O-CG 3.28Å; E200-R204 WeakPolarHBondContact O-CG 3.44Å; E200-R204 PolarHBondContact O-N 3.33Å; L201-R204 PolarHBondContact O-N 2.92Å; L202-R204 VanDerWaalsContact C-N 3.33Å; L202-R204 PolarHBondContact O-N 3.34Å; R204-A207 PolarHBondContact O-N 2.89Å; R204-L208 VanDerWaalsContact O-CB 3.29Å; R204-L208 WeakPolarHBondContact O-CB 3.42Å; R204-L208 PolarHBondContact O-N 2.72Å; R204-T236 HydrophobicContact CG-CG2 4.02Å; R204-G240 WeakPolarHBondContact CG-O 3.44Å; R204-G240 PolarHBondContact NE-O 3.43Å; R204-V242 HydrophobicContact CG-CG2 3.99Å |
| 205 | A | 98.7 | Very high | 98.1 | Very high | 26 Ų | 26 | 38.1 Ų | 38.1 | 22% | 0.215 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.5 | -46.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L201 L202 A207 L208 D209 | L201-A205 VanDerWaalsContact O-CB 3.26Å; L201-A205 WeakPolarHBondContact O-CB 3.4Å; L201-A205 PolarHBondContact O-N 2.9Å; L202-A205 PolarHBondContact O-N 2.89Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 2.94Å; A205-L208 PolarHBondContact O-N 3.5Å; A205-D209 WeakPolarHBondContact O-CB 3.38Å; A205-D209 PolarHBondContact O-N 3.29Å |
| 206 | R | 98.6 | Very high | 98.2 | Very high | 19 Ų | 19 | 38 Ų | 38 | 7% | 0.072 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.8 | -39 | 177.9 | -62.4 | -52.4 | 167.7 | -102.1 | -2.9 | 112.1 | I166 R167 S172 L202 T210 V214 | I166-R206 HydrophobicContact CD1-CG 4.35Å; I166-R206 HydrophobicContact CG1-CG 3.72Å; I166-R206 PolarHBondContact O-NE 2.8Å; I166-R206 PolarHBondContact O-NH2 3.14Å; R167-R206 PolarHBondContact O-NH2 2.97Å; S172-R206 WeakPolarHBondContact OG-CD 3.32Å; L202-R206 WeakPolarHBondContact O-CG 3.23Å; L202-R206 PolarHBondContact O-N 2.94Å; R206-T210 WeakPolarHBondContact O-CB 3.14Å; R206-T210 WeakPolarHBondContact O-CG2 3.45Å; R206-T210 PolarHBondContact O-N 3.4Å; R206-T210 PolarHBondContact O-OG1 2.88Å; R206-V214 HydrophobicContact CB-CG2 4.03Å |
| 207 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.6 | -45.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G203 R204 A205 Q211 C212 V214 T236 S237 | G203-A207 WeakPolarHBondContact O-CB 3.32Å; G203-A207 PolarHBondContact O-N 2.87Å; R204-A207 PolarHBondContact O-N 2.89Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 2.94Å; A207-Q211 VanDerWaalsContact O-CA 3.23Å; A207-Q211 WeakPolarHBondContact O-CA 3.38Å; A207-Q211 PolarHBondContact O-N 3.02Å; A207-C212 WeakPolarHBondContact CA-O 3.34Å; A207-C212 WeakPolarHBondContact CB-O 3.44Å; A207-C212 PolarHBondContact O-N 3.45Å; A207-V214 HydrophobicContact CB-CB 4.1Å; A207-V214 HydrophobicContact CB-CG2 3.66Å; A207-T236 HydrophobicContact CB-CG2 3.59Å; A207-S237 VanDerWaalsContact CB-O 3.31Å; A207-S237 WeakPolarHBondContact CB-O 3.48Å |
| 208 | L | 98.1 | Very high | 98.5 | Very high | 89 Ų | 89 | 29.4 Ų | 29.4 | 47% | 0.466 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -65.9 | -54.3 | -179.7 | -177.1 | 67.1 | 0 | 0 | 0 | 112.2 | R204 A205 T210 Q211 | R204-L208 VanDerWaalsContact O-CB 3.29Å; R204-L208 WeakPolarHBondContact O-CB 3.42Å; R204-L208 PolarHBondContact O-N 2.72Å; A205-L208 PolarHBondContact O-N 3.5Å; L208-T210 PolarHBondContact O-N 3.13Å; L208-Q211 PolarHBondContact O-N 3.39Å |
| 209 | D | 97 | Very high | 98.6 | Very high | 83 Ų | 83 | 26.4 Ų | 26.4 | 44% | 0.444 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -69.1 | -22.4 | -173.3 | -69.3 | -17.6 | 0 | 0 | 0 | 112.9 | A205 | A205-D209 WeakPolarHBondContact O-CB 3.38Å; A205-D209 PolarHBondContact O-N 3.29Å |
| 210 | T | 97.4 | Very high | 98.6 | Very high | 9 Ų | 9 | 26.5 Ų | 26.5 | 6% | 0.055 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -104.3 | -9 | 178 | 69.4 | 0 | 0 | 0 | 0 | 114 | L173 A176 L184 R206 L208 C212 | L173-T210 HydrophobicContact CD2-CG2 4.3Å; A176-T210 HydrophobicContact CB-CG2 4.09Å; L184-T210 HydrophobicContact CD1-CG2 4.27Å; R206-T210 WeakPolarHBondContact O-CB 3.14Å; R206-T210 WeakPolarHBondContact O-CG2 3.45Å; R206-T210 PolarHBondContact O-N 3.4Å; R206-T210 PolarHBondContact O-OG1 2.88Å; L208-T210 PolarHBondContact O-N 3.13Å; T210-C212 PolarHBondContact O-N 2.94Å; T210-C212 PolarHBondContact O-SG 3.23Å; T210-C212 WeakPolarHBondContact OG1-CB 3.38Å; T210-C212 PolarHBondContact OG1-SG 3.42Å |
| 211 | Q | 98.1 | Very high | 98.5 | Very high | 13 Ų | 13 | 24.6 Ų | 24.6 | 6% | 0.061 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.4 | 50.4 | -169.8 | -58.5 | -177.7 | -59.1 | 0 | 0 | 111.5 | A207 L208 L262 V265 R266 I269 I271 | A207-Q211 VanDerWaalsContact O-CA 3.23Å; A207-Q211 WeakPolarHBondContact O-CA 3.38Å; A207-Q211 PolarHBondContact O-N 3.02Å; L208-Q211 PolarHBondContact O-N 3.39Å; Q211-L262 WeakPolarHBondContact O-CD1 3.28Å; Q211-V265 HydrophobicContact CB-CG1 4.44Å; Q211-V265 HydrophobicContact CG-CG1 4.22Å; Q211-V265 PolarHBondContact NE2-O 2.7Å; Q211-R266 HydrophobicContact CB-CG 3.77Å; Q211-R266 HydrophobicContact CG-CG 4.49Å; Q211-R266 PolarHBondContact O-NE 2.88Å; Q211-R266 VanDerWaalsContact O-NE 3.11Å; Q211-R266 PolarHBondContact O-NH2 2.79Å; Q211-R266 VanDerWaalsContact O-NH2 3.11Å; Q211-I269 PolarHBondContact NE2-O 3.09Å; Q211-I269 PolarHBondContact OE1-O 3.43Å; Q211-I271 HydrophobicContact CG-CD1 3.89Å; Q211-I271 HydrophobicContact CG-CG1 4.19Å |
| 212 | C | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -122.3 | 156.8 | 175.9 | -63.7 | 0 | 0 | 0 | 0 | 109.2 | C181 Q182 L184 A207 T210 R266 | C181-C212 PolarHBondContact O-SG 3.17Å; Q182-C212 WeakPolarHBondContact O-CA 3.44Å; Q182-C212 WeakPolarHBondContact O-CB 3.12Å; L184-C212 HydrophobicContact CD1-CB 4.48Å; L184-C212 HydrophobicContact CG-CB 4.17Å; A207-C212 WeakPolarHBondContact CA-O 3.34Å; A207-C212 WeakPolarHBondContact CB-O 3.44Å; A207-C212 PolarHBondContact O-N 3.45Å; T210-C212 PolarHBondContact O-N 2.94Å; T210-C212 PolarHBondContact O-SG 3.23Å; T210-C212 WeakPolarHBondContact OG1-CB 3.38Å; T210-C212 PolarHBondContact OG1-SG 3.42Å; C212-R266 PolarHBondContact SG-NH2 2.82Å; C212-R266 VanDerWaalsContact SG-NH2 3.41Å |
| 213 | Y | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 146.3 | 158.9 | -73 | -82.7 | 0 | 0 | 0 | 109.2 | Q182 L183 L184 T236 P238 I243 L257 D258 F259 E261 L262 | Q182-Y213 PolarHBondContact O-N 2.87Å; L183-Y213 CarbonylContact C-O 3.49Å; L183-Y213 WeakPolarHBondContact CA-O 3.35Å; L184-Y213 PolarHBondContact N-O 3.36Å; Y213-T236 VanDerWaalsContact CA-O 3.32Å; Y213-T236 WeakPolarHBondContact CA-O 3.48Å; Y213-P238 HydrophobicContact CD2-CG 4.06Å; Y213-P238 HydrophobicContact CE2-CG 4.02Å; Y213-P238 HydrophobicContact CG-CG 4.35Å; Y213-I243 HydrophobicContact CD1-CD1 4.18Å; Y213-I243 HydrophobicContact CE1-CD1 3.89Å; Y213-L257 HydrophobicContact CD1-CB 4.44Å; Y213-L257 HydrophobicContact CD1-CD2 3.7Å; Y213-L257 HydrophobicContact CD1-CG 4.45Å; Y213-L257 HydrophobicContact CD2-CB 4.07Å; Y213-L257 HydrophobicContact CD2-CD1 4.44Å; Y213-L257 HydrophobicContact CE1-CB 4.43Å; Y213-L257 HydrophobicContact CE1-CD2 4.05Å; Y213-L257 HydrophobicContact CE2-CB 4.02Å; Y213-L257 HydrophobicContact CG-CB 4.29Å; Y213-L257 HydrophobicContact CG-CD1 4.14Å; Y213-L257 HydrophobicContact CG-CD2 4.07Å; Y213-L257 HydrophobicContact CG-CG 4.4Å; Y213-D258 PolarHBondContact OH-N 3.47Å; Y213-D258 VanDerWaalsContact OH-N 3.13Å; Y213-D258 PolarHBondContact OH-O 3.28Å; Y213-F259 HydrophobicContact CD2-CD1 4.43Å; Y213-F259 AromaticContact CD2-CE1 3.97Å; Y213-F259 HydrophobicContact CD2-CE1 3.97Å; Y213-F259 HydrophobicContact CD2-CZ 4.48Å; Y213-F259 HydrophobicContact CE2-CD1 4.47Å; Y213-F259 HydrophobicContact CE2-CE1 4.39Å; Y213-E261 PolarHBondContact OH-OE2 3Å; Y213-L262 HydrophobicContact CD2-CD1 4.21Å; Y213-L262 HydrophobicContact CE2-CB 4.28Å |
| 214 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 123.5 | 174.7 | 175.5 | 0 | 0 | 0 | 0 | 109.1 | L184 F186 R206 A207 M216 I235 T236 | L184-V214 HydrophobicContact CB-CG2 4.28Å; L184-V214 HydrophobicContact CD1-CG2 4.41Å; L184-V214 CarbonylContact O-C 3.6Å; L184-V214 WeakPolarHBondContact O-CA 3.42Å; F186-V214 HydrophobicContact CD2-CG1 3.99Å; F186-V214 HydrophobicContact CE2-CG1 4.09Å; R206-V214 HydrophobicContact CB-CG2 4.03Å; A207-V214 HydrophobicContact CB-CB 4.1Å; A207-V214 HydrophobicContact CB-CG2 3.66Å; V214-M216 HydrophobicContact CG1-CG 4.05Å; V214-I235 CarbonylContact O-C 3.56Å; V214-I235 WeakPolarHBondContact O-CA 3.48Å; V214-T236 PolarHBondContact N-O 3.47Å; V214-T236 PolarHBondContact O-N 3.2Å |
| 215 | G | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 130.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L184 L185 F186 L234 | L184-G215 PolarHBondContact O-N 3.34Å; L185-G215 CarbonylContact C-O 3.54Å; L185-G215 WeakPolarHBondContact CA-O 3.2Å; F186-G215 PolarHBondContact N-O 3.32Å; G215-L234 WeakPolarHBondContact CA-O 3.36Å |
| 216 | M | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 114.4 | 176.5 | -59.1 | 174.3 | 63.2 | 0 | 0 | 108.9 | L6 I166 F186 W199 G203 V214 S233 L234 | L6-M216 WeakPolarHBondContact CD1-O 3.35Å; I166-M216 HydrophobicContact CD1-CE 3.45Å; I166-M216 VanDerWaalsContact CD1-CE 3.45Å; I166-M216 HydrophobicContact CD1-CG 4.05Å; I166-M216 HydrophobicContact CD1-SD 3.44Å; I166-M216 WeakPolarHBondContact CD1-SD 3.28Å; F186-M216 HydrophobicContact CB-CG 4.3Å; F186-M216 CarbonylContact O-C 3.55Å; F186-M216 WeakPolarHBondContact O-CA 3.38Å; W199-M216 HydrophobicContact CD2-CE 3.44Å; W199-M216 VanDerWaalsContact CD2-CE 3.44Å; W199-M216 HydrophobicContact CE3-CE 3.29Å; W199-M216 HydrophobicContact CG-CE 4.19Å; W199-M216 HydrophobicContact CH2-CB 3.93Å; W199-M216 HydrophobicContact CH2-CE 3.83Å; W199-M216 HydrophobicContact CZ2-CB 3.57Å; W199-M216 HydrophobicContact CZ2-CE 3.92Å; W199-M216 HydrophobicContact CZ3-CE 3.52Å; G203-M216 WeakPolarHBondContact CA-SD 3.42Å; V214-M216 HydrophobicContact CG1-CG 4.05Å; M216-S233 CarbonylContact O-C 3.56Å; M216-S233 WeakPolarHBondContact O-CA 3.4Å; M216-S233 WeakPolarHBondContact O-CB 3Å; M216-L234 HydrophobicContact CB-CG 4.33Å; M216-L234 PolarHBondContact N-O 3.45Å; M216-L234 PolarHBondContact O-N 2.94Å; M216-L234 HydrophobicContact SD-CD1 4.14Å; M216-L234 HydrophobicContact SD-CD2 4.47Å; M216-L234 HydrophobicContact SD-CG 4.33Å |
| 217 | C | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 115.8 | -174.7 | -171.9 | 0 | 0 | 0 | 0 | 110.6 | L6 V7 C39 P41 F186 P187 A188 | L6-C217 HydrophobicContact CB-CB 4.15Å; L6-C217 HydrophobicContact CD2-CB 4.2Å; V7-C217 PolarHBondContact O-SG 3.43Å; V7-C217 VanDerWaalsContact O-SG 3.34Å; C39-C217 HydrophobicContact CB-CB 4.46Å; C39-C217 PolarHBondContact O-SG 3.29Å; C39-C217 VanDerWaalsContact O-SG 3.36Å; P41-C217 WeakPolarHBondContact CA-O 3.5Å; F186-C217 PolarHBondContact O-N 2.79Å; P187-C217 CarbonylContact C-O 3.51Å; P187-C217 WeakPolarHBondContact CA-O 3.25Å; A188-C217 PolarHBondContact N-O 2.88Å |
| 218 | S | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -111.3 | 151.5 | -178.5 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | Q8 A188 A231 S233 | Q8-S218 WeakPolarHBondContact CA-O 3.47Å; Q8-S218 WeakPolarHBondContact CG-O 3.35Å; A188-S218 WeakPolarHBondContact O-CA 3.27Å; A188-S218 VanDerWaalsContact O-CB 3.25Å; A188-S218 WeakPolarHBondContact O-CB 3.29Å; S218-A231 VanDerWaalsContact CB-O 3.29Å; S218-A231 WeakPolarHBondContact CB-O 3.08Å; S218-A231 VanDerWaalsContact OG-CA 3.28Å; S218-A231 WeakPolarHBondContact OG-CA 3.29Å; S218-A231 PolarHBondContact OG-N 2.99Å; S218-S233 PolarHBondContact N-OG 3.33Å; S218-S233 PolarHBondContact O-OG 2.86Å | ||
| 219 | P | 98.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | trans | -60.4 | 154.1 | 161.9 | -17.3 | 32.2 | 0 | 0 | 0 | 110.1 | M9 V11 P41 A189 A231 | M9-P219 CarbonylContact O-C 3.52Å; M9-P219 WeakPolarHBondContact O-CA 3.3Å; V11-P219 HydrophobicContact CG2-CB 3.99Å; V11-P219 HydrophobicContact CG2-CG 4.42Å; P41-P219 HydrophobicContact CB-CG 3.87Å; P41-P219 VanDerWaalsContact CB-N 3.26Å; P41-P219 HydrophobicContact CG-CB 4.47Å; P41-P219 HydrophobicContact CG-CG 4.17Å; A189-P219 HydrophobicContact CB-CG 4.08Å; P219-A231 VanDerWaalsContact O-CA 3.25Å; P219-A231 WeakPolarHBondContact O-CA 3.38Å | ||
| 220 | A | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 2% | 0.017 | 15% | 0.154 | C | C | . | . | trans | -64.7 | 161.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111 | Q8 M9 F10 N222 E250 | Q8-A220 HydrophobicContact CG-CB 4.05Å; M9-A220 PolarHBondContact O-N 3.41Å; F10-A220 HydrophobicContact CD1-CB 3.68Å; F10-A220 HydrophobicContact CE1-CB 3.8Å; F10-A220 HydrophobicContact CG-CB 4.09Å; F10-A220 HydrophobicContact CZ-CB 4.32Å; A220-N222 PolarHBondContact O-N 2.98Å; A220-N222 VanDerWaalsContact O-N 3.08Å; A220-E250 HydrophobicContact CB-CB 4.37Å | ||
| 221 | C | 97.8 | Very high | 97.2 | Very high | 27 Ų | 27 | 29.3 Ų | 29.3 | 18% | 0.182 | 15% | 0.151 | C | C | . | . | trans | -75.9 | 96.2 | -178.4 | -179.6 | 0 | 0 | 0 | 0 | 111 | F10 I228 A231 K248 | F10-C221 WeakPolarHBondContact CE1-O 3.49Å; C221-I228 VanDerWaalsContact SG-CG2 3.54Å; C221-A231 HydrophobicContact CB-CB 4.46Å; C221-K248 HydrophobicContact CB-CB 4.1Å; C221-K248 WeakPolarHBondContact CB-O 3.48Å; C221-K248 PolarHBondContact N-O 3.4Å | ||
| 222 | N | 96.9 | Very high | 97.3 | Very high | 26 Ų | 26 | 30.7 Ų | 30.7 | 14% | 0.139 | 16% | 0.157 | C | C | . | . | trans | -94.1 | 110.1 | 170.9 | -170.1 | -12.2 | 0 | 0 | 0 | 111 | F10 V11 A220 E224 L225 | F10-N222 HydrophobicContact CD1-CB 4.25Å; V11-N222 PolarHBondContact O-ND2 3.09Å; A220-N222 PolarHBondContact O-N 2.98Å; A220-N222 VanDerWaalsContact O-N 3.08Å; N222-E224 PolarHBondContact O-N 2.91Å; N222-E224 WeakPolarHBondContact OD1-CB 3.41Å; N222-E224 PolarHBondContact OD1-N 3.02Å; N222-L225 HydrophobicContact CB-CD1 4.09Å; N222-L225 HydrophobicContact CB-CG 4.02Å | ||
| 223 | L | 95.8 | Very high | 97.3 | Very high | 133 Ų | 133 | 30.7 Ų | 30.7 | 70% | 0.696 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -9.2 | -179.4 | -60.3 | -179.4 | 0 | 0 | 0 | 113.7 | L225 I228 | L223-L225 VanDerWaalsContact C-N 3.34Å; L223-I228 HydrophobicContact CD2-CD1 4.03Å; L223-I228 HydrophobicContact CD2-CG2 4.13Å |
| 224 | E | 94.9 | Very high | 97.3 | Very high | 179 Ų | 179 | 30.6 Ų | 30.6 | 84% | 0.836 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -7.6 | 178.3 | -56 | -176.4 | 161.7 | 0 | 0 | 113 | N222 | N222-E224 PolarHBondContact O-N 2.91Å; N222-E224 WeakPolarHBondContact OD1-CB 3.41Å; N222-E224 PolarHBondContact OD1-N 3.02Å |
| 225 | L | 94.1 | Very high | 97.3 | Very high | 33 Ų | 33 | 30.6 Ų | 30.6 | 17% | 0.173 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -95.5 | 153.7 | -178.8 | -60 | -174.4 | 0 | 0 | 0 | 112.9 | V11 P47 N222 L223 Y227 | V11-L225 WeakPolarHBondContact O-CD1 3.4Å; P47-L225 HydrophobicContact CB-CD1 4.48Å; P47-L225 HydrophobicContact CB-CD2 4.22Å; P47-L225 HydrophobicContact CG-CD2 4.12Å; N222-L225 HydrophobicContact CB-CD1 4.09Å; N222-L225 HydrophobicContact CB-CG 4.02Å; L223-L225 VanDerWaalsContact C-N 3.34Å; L225-Y227 VanDerWaalsContact C-N 3.32Å; L225-Y227 PolarHBondContact O-N 3.19Å |
| 226 | D | 91.7 | Very high | 97.3 | Very high | 110 Ų | 110 | 30.5 Ų | 30.5 | 59% | 0.588 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -61.6 | -39.8 | 173.1 | -57.5 | -50.2 | 0 | 0 | 0 | 112.4 | K51 Y52 | K51-D226 WeakPolarHBondContact CE-OD2 3.29Å; K51-D226 IonicContact NZ-OD1 2.73Å; K51-D226 IonicContact NZ-OD2 3.53Å; K51-D226 PolarHBondContact NZ-OD2 2.87Å; Y52-D226 PolarHBondContact OH-OD2 3.26Å |
| 227 | Y | 94.4 | Very high | 97.3 | Very high | 15 Ų | 15 | 30.6 Ų | 30.6 | 6% | 0.059 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -106.6 | 104.3 | 175.5 | -170.4 | -77.4 | 0 | 0 | 0 | 109.1 | I48 F117 F125 F127 A189 N191 L225 | I48-Y227 HydrophobicContact CB-CD1 4.19Å; I48-Y227 HydrophobicContact CB-CG 4.11Å; I48-Y227 HydrophobicContact CD1-CD1 4.26Å; I48-Y227 HydrophobicContact CD1-CE1 4.41Å; I48-Y227 HydrophobicContact CG2-CD1 4.34Å; I48-Y227 HydrophobicContact CG2-CD2 4.24Å; I48-Y227 HydrophobicContact CG2-CG 4.11Å; I48-Y227 WeakPolarHBondContact O-CB 3.36Å; F117-Y227 HydrophobicContact CE1-CE2 4.17Å; F125-Y227 HydrophobicContact CE2-CD2 4.49Å; F125-Y227 HydrophobicContact CE2-CE2 4.43Å; F125-Y227 HydrophobicContact CZ-CD2 4.1Å; F125-Y227 AromaticContact CZ-CE2 3.73Å; F125-Y227 HydrophobicContact CZ-CE2 3.73Å; F127-Y227 HydrophobicContact CD2-CD2 4.27Å; F127-Y227 HydrophobicContact CD2-CE2 4.41Å; F127-Y227 HydrophobicContact CE2-CD2 4.11Å; F127-Y227 HydrophobicContact CE2-CE2 4.48Å; A189-Y227 HydrophobicContact CB-CE1 4.29Å; A189-Y227 PolarHBondContact O-OH 3.04Å; N191-Y227 HydrophobicContact CB-CE1 4.37Å; N191-Y227 HydrophobicContact CB-CE2 4.22Å; N191-Y227 PolarHBondContact N-OH 3.31Å; L225-Y227 VanDerWaalsContact C-N 3.32Å; L225-Y227 PolarHBondContact O-N 3.19Å |
| 228 | I | 95.8 | Very high | 97.2 | Very high | 52 Ų | 52 | 30.6 Ų | 30.6 | 27% | 0.267 | 16% | 0.157 | S | C | . | . | trans | -80.8 | 127.1 | 176.4 | -57.3 | 170.7 | 0 | 0 | 0 | 108.4 | P192 C221 L223 | P192-I228 WeakPolarHBondContact CD-O 3.26Å; P192-I228 HydrophobicContact CG-CB 4.23Å; P192-I228 HydrophobicContact CG-CG2 4.03Å; C221-I228 VanDerWaalsContact SG-CG2 3.54Å; L223-I228 HydrophobicContact CD2-CD1 4.03Å; L223-I228 HydrophobicContact CD2-CG2 4.13Å | ||
| 229 | S | 97.3 | Very high | 97.2 | Very high | 9 Ų | 9 | 35.2 Ų | 35.2 | 6% | 0.063 | 17% | 0.174 | C | C | . | . | trans | -81.8 | 145.8 | 175.1 | -64.8 | 0 | 0 | 0 | 0 | 111.3 | F190 A231 | F190-S229 CarbonylContact O-C 3.5Å; S229-A231 PolarHBondContact O-N 3.26Å | ||
| 230 | H | 97.7 | Very high | 97.2 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 5% | 0.046 | 18% | 0.176 | C | C | . | . | trans | -68.5 | -24.9 | 177.9 | 179.4 | 71.9 | 0 | 0 | 0 | 112.4 | F190 S196 W199 E232 K248 | F190-H230 HydrophobicContact CB-CB 4.19Å; F190-H230 VanDerWaalsContact O-CB 3.25Å; F190-H230 WeakPolarHBondContact O-CB 3.39Å; F190-H230 PolarHBondContact O-N 3.43Å; S196-H230 PolarHBondContact N-CE1 3.29Å; W199-H230 AromaticContact CD1-CD2 3.82Å; W199-H230 AromaticContact CG-CD2 3.81Å; H230-E232 IonicContact CE1-OE1 2.69Å; H230-E232 IonicContact NE2-OE1 3.88Å; H230-E232 IonicContact NE2-OE2 3.43Å; H230-E232 PolarHBondContact NE2-OE2 3.11Å; H230-K248 PolarHBondContact CE1-NZ 2.99Å; H230-K248 PolarHBondContact ND1-NZ 2.9Å; H230-K248 WeakPolarHBondContact O-CD 3.46Å; H230-K248 PolarHBondContact O-NZ 2.93Å | ||
| 231 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | 63 | -131.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S218 P219 C221 S229 S233 G247 K248 | S218-A231 VanDerWaalsContact CB-O 3.29Å; S218-A231 WeakPolarHBondContact CB-O 3.08Å; S218-A231 VanDerWaalsContact OG-CA 3.28Å; S218-A231 WeakPolarHBondContact OG-CA 3.29Å; S218-A231 PolarHBondContact OG-N 2.99Å; P219-A231 VanDerWaalsContact O-CA 3.25Å; P219-A231 WeakPolarHBondContact O-CA 3.38Å; C221-A231 HydrophobicContact CB-CB 4.46Å; S229-A231 PolarHBondContact O-N 3.26Å; A231-S233 PolarHBondContact O-N 2.81Å; A231-G247 WeakPolarHBondContact CB-O 3.31Å; A231-K248 HydrophobicContact CB-CD 4.2Å | ||
| 232 | E | 98.5 | Very high | 97.2 | Very high | 41 Ų | 41 | 40.3 Ų | 40.3 | 19% | 0.192 | 20% | 0.201 | C | C | . | . | trans | 49.5 | 42.1 | 177.5 | -60.9 | -171.9 | -159.4 | 0 | 0 | 114 | Q8 W199 H230 L234 K245 G246 G247 K248 | Q8-E232 VanDerWaalsContact OE1-N 3.12Å; W199-E232 PolarHBondContact NE1-O 2.84Å; H230-E232 IonicContact CE1-OE1 2.69Å; H230-E232 IonicContact NE2-OE1 3.88Å; H230-E232 IonicContact NE2-OE2 3.43Å; H230-E232 PolarHBondContact NE2-OE2 3.11Å; E232-L234 PolarHBondContact O-N 2.85Å; E232-K245 WeakPolarHBondContact OE2-CE 3.32Å; E232-K245 IonicContact OE2-NZ 2.68Å; E232-K245 PolarHBondContact OE2-NZ 3.33Å; E232-G246 WeakPolarHBondContact CA-O 3.41Å; E232-G247 WeakPolarHBondContact CA-O 3.22Å; E232-G247 PolarHBondContact N-O 3.47Å; E232-K248 HydrophobicContact CG-CD 4.22Å; E232-K248 WeakPolarHBondContact OE1-CE 3.09Å; E232-K248 IonicContact OE1-NZ 2.89Å; E232-K248 PolarHBondContact OE1-NZ 3.16Å | ||
| 233 | S | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -48.2 | 134.9 | 173 | -62.2 | 0 | 0 | 0 | 0 | 110.2 | Q8 M216 S218 A231 K245 G246 | Q8-S233 PolarHBondContact OE1-OG 3.19Å; M216-S233 CarbonylContact O-C 3.56Å; M216-S233 WeakPolarHBondContact O-CA 3.4Å; M216-S233 WeakPolarHBondContact O-CB 3Å; S218-S233 PolarHBondContact N-OG 3.33Å; S218-S233 PolarHBondContact O-OG 2.86Å; A231-S233 PolarHBondContact O-N 2.81Å; S233-K245 CarbonylContact O-C 3.59Å; S233-K245 WeakPolarHBondContact O-CA 3.2Å; S233-G246 PolarHBondContact O-N 2.87Å | ||
| 234 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 153.1 | -171 | 69.5 | 90.3 | 0 | 0 | 0 | 113 | L6 W199 E200 G215 M216 E232 T236 V242 A244 K245 | L6-L234 WeakPolarHBondContact CD1-O 3.33Å; W199-L234 HydrophobicContact CG-CD2 4.34Å; W199-L234 VanDerWaalsContact NE1-CD2 3.32Å; E200-L234 HydrophobicContact CB-CD2 4.24Å; E200-L234 HydrophobicContact CG-CD2 4.38Å; G215-L234 WeakPolarHBondContact CA-O 3.36Å; M216-L234 HydrophobicContact CB-CG 4.33Å; M216-L234 PolarHBondContact N-O 3.45Å; M216-L234 PolarHBondContact O-N 2.94Å; M216-L234 HydrophobicContact SD-CD1 4.14Å; M216-L234 HydrophobicContact SD-CD2 4.47Å; M216-L234 HydrophobicContact SD-CG 4.33Å; E232-L234 PolarHBondContact O-N 2.85Å; L234-T236 WeakPolarHBondContact CD1-OG1 3.38Å; L234-V242 HydrophobicContact CB-CG1 4.22Å; L234-A244 CarbonylContact C-O 3.52Å; L234-A244 VanDerWaalsContact CA-O 3.26Å; L234-A244 WeakPolarHBondContact CA-O 3.09Å; L234-K245 HydrophobicContact CB-CB 4.47Å; L234-K245 HydrophobicContact CB-CG 4.32Å |
| 235 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 127.3 | 173.1 | -56.2 | 172.7 | 0 | 0 | 0 | 107.5 | L4 L6 V214 V242 I243 A244 A255 L257 | L4-I235 HydrophobicContact CB-CD1 4.45Å; L4-I235 HydrophobicContact CD2-CD1 3.94Å; L4-I235 HydrophobicContact CD2-CG1 4.19Å; L4-I235 HydrophobicContact CG-CD1 4.1Å; L6-I235 HydrophobicContact CD1-CD1 4.29Å; L6-I235 HydrophobicContact CD1-CG1 3.66Å; L6-I235 HydrophobicContact CG-CD1 4.23Å; L6-I235 HydrophobicContact CG-CG1 4.13Å; V214-I235 CarbonylContact O-C 3.56Å; V214-I235 WeakPolarHBondContact O-CA 3.48Å; I235-V242 CarbonylContact O-C 3.59Å; I235-V242 WeakPolarHBondContact O-CA 3.36Å; I235-I243 HydrophobicContact CB-CG1 4.09Å; I235-I243 HydrophobicContact CG2-CD1 3.82Å; I235-I243 HydrophobicContact CG2-CG1 3.8Å; I235-I243 WeakPolarHBondContact O-CG1 3.47Å; I235-I243 PolarHBondContact O-N 3.22Å; I235-A244 HydrophobicContact CB-CB 4.23Å; I235-A244 HydrophobicContact CD1-CB 4.23Å; I235-A244 HydrophobicContact CG1-CB 4.41Å; I235-A244 PolarHBondContact N-O 2.79Å; I235-A244 PolarHBondContact O-N 2.79Å; I235-A255 HydrophobicContact CB-CB 4.38Å; I235-A255 HydrophobicContact CD1-CB 3.57Å; I235-A255 HydrophobicContact CG2-CB 4.16Å; I235-L257 HydrophobicContact CG2-CD2 3.83Å |
| 236 | T | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 136.5 | 179.5 | -50.1 | 0 | 0 | 0 | 0 | 110.5 | R204 A207 Y213 V214 L234 I241 | R204-T236 HydrophobicContact CG-CG2 4.02Å; A207-T236 HydrophobicContact CB-CG2 3.59Å; Y213-T236 VanDerWaalsContact CA-O 3.32Å; Y213-T236 WeakPolarHBondContact CA-O 3.48Å; V214-T236 PolarHBondContact N-O 3.47Å; V214-T236 PolarHBondContact O-N 3.2Å; L234-T236 WeakPolarHBondContact CD1-OG1 3.38Å; T236-I241 CarbonylContact C-O 3.53Å; T236-I241 VanDerWaalsContact CA-O 3.29Å; T236-I241 WeakPolarHBondContact CA-O 3.18Å; T236-I241 VanDerWaalsContact CG2-O 3.27Å; T236-I241 WeakPolarHBondContact CG2-O 3.34Å |
| 237 | S | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | trans | -77 | 164.6 | 175.3 | 78.6 | 0 | 0 | 0 | 0 | 112.9 | A207 W239 G240 I241 | A207-S237 VanDerWaalsContact CB-O 3.31Å; A207-S237 WeakPolarHBondContact CB-O 3.48Å; S237-W239 PolarHBondContact O-N 3.14Å; S237-W239 PolarHBondContact OG-N 2.94Å; S237-G240 PolarHBondContact O-N 3.17Å; S237-I241 PolarHBondContact N-O 3.18Å | ||
| 238 | P | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -15.8 | 174.4 | -26.7 | 36.3 | 0 | 0 | 0 | 114.9 | Y213 G240 L262 V265 | Y213-P238 HydrophobicContact CD2-CG 4.06Å; Y213-P238 HydrophobicContact CE2-CG 4.02Å; Y213-P238 HydrophobicContact CG-CG 4.35Å; P238-G240 VanDerWaalsContact C-N 3.26Å; P238-L262 HydrophobicContact CG-CB 3.86Å; P238-L262 HydrophobicContact CG-CD1 3.92Å; P238-L262 HydrophobicContact CG-CG 3.97Å; P238-V265 HydrophobicContact CB-CB 4.12Å; P238-V265 HydrophobicContact CB-CG1 3.99Å; P238-V265 HydrophobicContact CB-CG2 3.92Å |
| 239 | W | 97.9 | Very high | 98.4 | Very high | 96 Ų | 96 | 34 Ų | 34 | 36% | 0.364 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -2.5 | 172.1 | -70.6 | 114.6 | 0 | 0 | 0 | 113.7 | S237 I241 E261 V265 I269 | S237-W239 PolarHBondContact O-N 3.14Å; S237-W239 PolarHBondContact OG-N 2.94Å; W239-I241 VanDerWaalsContact C-N 3.31Å; W239-I241 HydrophobicContact CB-CD1 3.89Å; W239-I241 HydrophobicContact CB-CG1 3.96Å; W239-E261 VanDerWaalsContact CD1-OE1 3.31Å; W239-V265 HydrophobicContact CD2-CG1 4.2Å; W239-V265 HydrophobicContact CD2-CG2 3.81Å; W239-V265 HydrophobicContact CE3-CG1 4.28Å; W239-V265 HydrophobicContact CG-CG2 4.02Å; W239-V265 HydrophobicContact CH2-CG1 4.5Å; W239-V265 HydrophobicContact CZ2-CB 4.24Å; W239-V265 HydrophobicContact CZ2-CG1 4.42Å; W239-V265 HydrophobicContact CZ2-CG2 3.7Å; W239-V265 HydrophobicContact CZ3-CG1 4.44Å; W239-I269 HydrophobicContact CH2-CD1 4.39Å; W239-I269 HydrophobicContact CH2-CG1 4.47Å; W239-I269 HydrophobicContact CZ3-CD1 3.66Å; W239-I269 HydrophobicContact CZ3-CG1 4.19Å |
| 240 | G | 98.1 | Very high | 98.5 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 5% | 0.052 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 73.7 | 22.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R204 S237 P238 | R204-G240 WeakPolarHBondContact CG-O 3.44Å; R204-G240 PolarHBondContact NE-O 3.43Å; S237-G240 PolarHBondContact O-N 3.17Å; P238-G240 VanDerWaalsContact C-N 3.26Å |
| 241 | I | 98.5 | Very high | 98.5 | Very high | 98 Ų | 98 | 37.9 Ų | 37.9 | 50% | 0.503 | 19% | 0.192 | S | C | . | . | trans | -98.4 | 129.2 | 177.7 | -58.4 | 172.4 | 0 | 0 | 0 | 108.9 | T236 S237 W239 I243 | T236-I241 CarbonylContact C-O 3.53Å; T236-I241 VanDerWaalsContact CA-O 3.29Å; T236-I241 WeakPolarHBondContact CA-O 3.18Å; T236-I241 VanDerWaalsContact CG2-O 3.27Å; T236-I241 WeakPolarHBondContact CG2-O 3.34Å; S237-I241 PolarHBondContact N-O 3.18Å; W239-I241 VanDerWaalsContact C-N 3.31Å; W239-I241 HydrophobicContact CB-CD1 3.89Å; W239-I241 HydrophobicContact CB-CG1 3.96Å; I241-I243 HydrophobicContact CG2-CG2 4.48Å; I241-I243 PolarHBondContact O-N 2.9Å | ||
| 242 | V | 98.8 | Very high | 98.6 | Very high | 38 Ų | 38 | 39 Ų | 39 | 23% | 0.23 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 116.9 | 172.7 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | E200 R204 L234 I235 A244 K245 | E200-V242 HydrophobicContact CG-CG2 3.83Å; R204-V242 HydrophobicContact CG-CG2 3.99Å; L234-V242 HydrophobicContact CB-CG1 4.22Å; I235-V242 CarbonylContact O-C 3.59Å; I235-V242 WeakPolarHBondContact O-CA 3.36Å; V242-A244 WeakPolarHBondContact CG1-O 3.43Å; V242-K245 HydrophobicContact CG1-CB 3.92Å |
| 243 | I | 98.7 | Very high | 98.6 | Very high | 74 Ų | 74 | 37.3 Ų | 37.3 | 38% | 0.379 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -18.3 | -175.7 | 58.6 | 170.7 | 0 | 0 | 0 | 113.2 | Y213 I235 I241 A255 L257 | Y213-I243 HydrophobicContact CD1-CD1 4.18Å; Y213-I243 HydrophobicContact CE1-CD1 3.89Å; I235-I243 HydrophobicContact CB-CG1 4.09Å; I235-I243 HydrophobicContact CG2-CD1 3.82Å; I235-I243 HydrophobicContact CG2-CG1 3.8Å; I235-I243 WeakPolarHBondContact O-CG1 3.47Å; I235-I243 PolarHBondContact O-N 3.22Å; I241-I243 HydrophobicContact CG2-CG2 4.48Å; I241-I243 PolarHBondContact O-N 2.9Å; I243-A255 HydrophobicContact CD1-CB 3.91Å; I243-A255 HydrophobicContact CG1-CB 4.27Å; I243-L257 HydrophobicContact CD1-CD2 4.17Å |
| 244 | A | 98.7 | Very high | 98.6 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 13% | 0.132 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 140.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | L234 I235 V242 I253 A255 | L234-A244 CarbonylContact C-O 3.52Å; L234-A244 VanDerWaalsContact CA-O 3.26Å; L234-A244 WeakPolarHBondContact CA-O 3.09Å; I235-A244 HydrophobicContact CB-CB 4.23Å; I235-A244 HydrophobicContact CD1-CB 4.23Å; I235-A244 HydrophobicContact CG1-CB 4.41Å; I235-A244 PolarHBondContact N-O 2.79Å; I235-A244 PolarHBondContact O-N 2.79Å; V242-A244 WeakPolarHBondContact CG1-O 3.43Å; A244-I253 HydrophobicContact CB-CG2 3.58Å; A244-A255 HydrophobicContact CB-CB 4.2Å |
| 245 | K | 98.5 | Very high | 98.6 | Very high | 91 Ų | 91 | 40 Ų | 40 | 40% | 0.396 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 133.3 | -177.9 | -173.1 | 173 | -178.1 | 177.4 | 0 | 109.9 | E200 E232 S233 L234 V242 | E200-K245 IonicContact OE2-NZ 2.67Å; E200-K245 PolarHBondContact OE2-NZ 3.36Å; E232-K245 WeakPolarHBondContact OE2-CE 3.32Å; E232-K245 IonicContact OE2-NZ 2.68Å; E232-K245 PolarHBondContact OE2-NZ 3.33Å; S233-K245 CarbonylContact O-C 3.59Å; S233-K245 WeakPolarHBondContact O-CA 3.2Å; L234-K245 HydrophobicContact CB-CB 4.47Å; L234-K245 HydrophobicContact CB-CG 4.32Å; V242-K245 HydrophobicContact CG1-CB 3.92Å |
| 246 | G | 98.6 | Very high | 98.5 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 6% | 0.062 | 23% | 0.225 | C | C | . | . | trans | -84 | 163.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E232 S233 E251 | E232-G246 WeakPolarHBondContact CA-O 3.41Å; S233-G246 PolarHBondContact O-N 2.87Å; G246-E251 WeakPolarHBondContact CA-OE1 2.98Å; G246-E251 WeakPolarHBondContact CA-OE2 3.44Å | ||
| 247 | G | 98.4 | Very high | 98.5 | Very high | 36 Ų | 36 | 43.3 Ų | 43.3 | 37% | 0.371 | 23% | 0.225 | S | C | . | . | trans | -84.5 | -143.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q8 A231 E232 E251 | Q8-G247 PolarHBondContact NE2-O 3.48Å; A231-G247 WeakPolarHBondContact CB-O 3.31Å; E232-G247 WeakPolarHBondContact CA-O 3.22Å; E232-G247 PolarHBondContact N-O 3.47Å; G247-E251 PolarHBondContact N-OE1 3.27Å | ||
| 248 | K | 98 | Very high | 98.3 | Very high | 75 Ų | 75 | 45.9 Ų | 45.9 | 33% | 0.326 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -96.1 | -20.2 | -176.9 | -62.7 | -52 | -166.4 | -164.5 | 0 | 114.6 | C221 H230 A231 E232 | C221-K248 HydrophobicContact CB-CB 4.1Å; C221-K248 WeakPolarHBondContact CB-O 3.48Å; C221-K248 PolarHBondContact N-O 3.4Å; H230-K248 PolarHBondContact CE1-NZ 2.99Å; H230-K248 PolarHBondContact ND1-NZ 2.9Å; H230-K248 WeakPolarHBondContact O-CD 3.46Å; H230-K248 PolarHBondContact O-NZ 2.93Å; A231-K248 HydrophobicContact CB-CD 4.2Å; E232-K248 HydrophobicContact CG-CD 4.22Å; E232-K248 WeakPolarHBondContact OE1-CE 3.09Å; E232-K248 IonicContact OE1-NZ 2.89Å; E232-K248 PolarHBondContact OE1-NZ 3.16Å |
| 249 | E | 98.4 | Very high | 98.2 | Very high | 118 Ų | 118 | 47.3 Ų | 47.3 | 55% | 0.551 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -90.9 | 177.3 | -170.6 | -58.7 | -55.6 | 132.2 | 0 | 0 | 112.2 | Q8 F10 E251 | Q8-E249 PolarHBondContact NE2-O 2.84Å; F10-E249 WeakPolarHBondContact CZ-OE2 3.3Å; E249-E251 PolarHBondContact O-N 2.93Å |
| 250 | E | 98.6 | Very high | 98 | Very high | 42 Ų | 42 | 46.3 Ų | 46.3 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -70.3 | 121.7 | 173 | 174 | 169.3 | 100.2 | 0 | 0 | 111.9 | Q8 M9 F10 R21 L25 A220 | Q8-E250 CarbonylContact O-C 3.48Å; Q8-E250 VanDerWaalsContact O-CA 3.22Å; Q8-E250 WeakPolarHBondContact O-CA 3.41Å; Q8-E250 WeakPolarHBondContact O-CG 3.48Å; M9-E250 WeakPolarHBondContact CA-OE2 3.25Å; F10-E250 HydrophobicContact CD2-CB 3.57Å; F10-E250 HydrophobicContact CD2-CG 4.49Å; F10-E250 HydrophobicContact CE2-CB 3.67Å; F10-E250 HydrophobicContact CG-CB 4.39Å; F10-E250 PolarHBondContact N-OE2 3.22Å; R21-E250 IonicContact CZ-OE1 3.46Å; R21-E250 IonicContact NE-OE1 2.93Å; R21-E250 PolarHBondContact NE-OE1 3.22Å; R21-E250 IonicContact NE-OE2 3.83Å; R21-E250 IonicContact NH2-OE1 3.51Å; R21-E250 PolarHBondContact NH2-OE1 3.35Å; L25-E250 HydrophobicContact CD1-CG 4.16Å; L25-E250 HydrophobicContact CD2-CG 4.3Å; A220-E250 HydrophobicContact CB-CB 4.37Å |
| 251 | E | 98.5 | Very high | 97.8 | Very high | 57 Ų | 57 | 49.2 Ų | 49.2 | 27% | 0.266 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 167 | -176.6 | 76.8 | -162.5 | 124.9 | 0 | 0 | 112.1 | Q8 G246 G247 E249 I253 | Q8-E251 HydrophobicContact CB-CG 4.31Å; Q8-E251 WeakPolarHBondContact CB-O 3.41Å; Q8-E251 PolarHBondContact N-O 3.25Å; Q8-E251 PolarHBondContact NE2-OE1 3.29Å; Q8-E251 PolarHBondContact O-N 2.83Å; G246-E251 WeakPolarHBondContact CA-OE1 2.98Å; G246-E251 WeakPolarHBondContact CA-OE2 3.44Å; G247-E251 PolarHBondContact N-OE1 3.27Å; E249-E251 PolarHBondContact O-N 2.93Å; E251-I253 HydrophobicContact CG-CD1 3.43Å; E251-I253 VanDerWaalsContact CG-CD1 3.43Å; E251-I253 HydrophobicContact CG-CG1 3.98Å |
| 252 | I | 98.8 | Very high | 97.7 | Very high | 23 Ų | 23 | 44.9 Ų | 44.9 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 118.5 | 175.3 | -61.6 | 163.3 | 0 | 0 | 0 | 107.5 | A5 R28 A29 T254 | A5-I252 HydrophobicContact CB-CG2 4.13Å; R28-I252 HydrophobicContact CB-CD1 4.1Å; R28-I252 HydrophobicContact CG-CD1 4.1Å; R28-I252 VanDerWaalsContact NE-CD1 3.3Å; A29-I252 HydrophobicContact CB-CD1 3.93Å; A29-I252 HydrophobicContact CB-CG1 4.49Å; A29-I252 HydrophobicContact CB-CG2 3.88Å; I252-T254 HydrophobicContact CG2-CG2 3.86Å |
| 253 | I | 98.8 | Very high | 97.5 | Very high | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 119 | -176.9 | -55.4 | 81.3 | 0 | 0 | 0 | 107.6 | A5 L6 Q8 A244 E251 | A5-I253 CarbonylContact C-O 3.52Å; A5-I253 WeakPolarHBondContact CA-O 3.41Å; L6-I253 HydrophobicContact CB-CB 4.3Å; L6-I253 PolarHBondContact N-O 2.98Å; L6-I253 PolarHBondContact O-N 3.26Å; Q8-I253 HydrophobicContact CB-CD1 3.67Å; A244-I253 HydrophobicContact CB-CG2 3.58Å; E251-I253 HydrophobicContact CG-CD1 3.43Å; E251-I253 VanDerWaalsContact CG-CD1 3.43Å; E251-I253 HydrophobicContact CG-CG1 3.98Å |
| 254 | T | 98.8 | Very high | 97.4 | Very high | 45 Ų | 45 | 48.4 Ų | 48.4 | 28% | 0.276 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 145.9 | -176.6 | 65 | 0 | 0 | 0 | 0 | 113.2 | L4 A5 H33 I252 | L4-T254 VanDerWaalsContact O-CA 3.25Å; L4-T254 WeakPolarHBondContact O-CA 3.38Å; A5-T254 HydrophobicContact CB-CG2 3.83Å; H33-T254 HydrophobicContact CB-CG2 3.86Å; I252-T254 HydrophobicContact CG2-CG2 3.86Å |
| 255 | A | 98.6 | Very high | 97.4 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 10% | 0.099 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 148.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L4 I235 I243 A244 L257 | L4-A255 PolarHBondContact N-O 2.75Å; L4-A255 PolarHBondContact O-N 3.19Å; I235-A255 HydrophobicContact CB-CB 4.38Å; I235-A255 HydrophobicContact CD1-CB 3.57Å; I235-A255 HydrophobicContact CG2-CB 4.16Å; I243-A255 HydrophobicContact CD1-CB 3.91Å; I243-A255 HydrophobicContact CG1-CB 4.27Å; A244-A255 HydrophobicContact CB-CB 4.2Å; A255-L257 HydrophobicContact CB-CD2 4.16Å |
| 256 | D | 98 | Very high | 97.3 | Very high | 68 Ų | 68 | 46.8 Ų | 46.8 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 114.6 | 167.3 | -75.2 | -37 | 0 | 0 | 0 | 109.3 | M1 R3 | M1-D256 HydrophobicContact SD-CB 4.43Å; R3-D256 VanDerWaalsContact CB-OD1 3.23Å; R3-D256 WeakPolarHBondContact CB-OD1 3.49Å; R3-D256 WeakPolarHBondContact CG-OD1 3.44Å; R3-D256 IonicContact CZ-OD1 2.81Å; R3-D256 IonicContact CZ-OD2 3.41Å; R3-D256 IonicContact NE-OD1 2.84Å; R3-D256 PolarHBondContact NE-OD1 2.86Å; R3-D256 IonicContact NE-OD2 3.04Å; R3-D256 IonicContact NH2-OD1 2.91Å; R3-D256 PolarHBondContact NH2-OD1 2.87Å; R3-D256 IonicContact NH2-OD2 2.77Å; R3-D256 PolarHBondContact NH2-OD2 2.63Å |
| 257 | L | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 117.8 | 179.7 | -46.6 | -171.9 | 0 | 0 | 0 | 109.4 | M1 L2 L4 L183 Y213 I235 I243 A255 F259 | M1-L257 CarbonylContact C-O 3.43Å; M1-L257 WeakPolarHBondContact CA-O 3.25Å; L2-L257 HydrophobicContact CB-CB 4.45Å; L2-L257 HydrophobicContact CD2-CD1 3.91Å; L2-L257 HydrophobicContact CD2-CG 4.29Å; L2-L257 PolarHBondContact N-O 2.89Å; L2-L257 WeakPolarHBondContact O-CB 3.5Å; L2-L257 PolarHBondContact O-N 3.07Å; L4-L257 HydrophobicContact CB-CD1 4.21Å; L4-L257 HydrophobicContact CB-CG 4.34Å; L4-L257 HydrophobicContact CD2-CD1 4.22Å; L183-L257 HydrophobicContact CD1-CD1 3.92Å; L183-L257 HydrophobicContact CD2-CD1 3.99Å; L183-L257 HydrophobicContact CG-CD1 4.45Å; Y213-L257 HydrophobicContact CD1-CB 4.44Å; Y213-L257 HydrophobicContact CD1-CD2 3.7Å; Y213-L257 HydrophobicContact CD1-CG 4.45Å; Y213-L257 HydrophobicContact CD2-CB 4.07Å; Y213-L257 HydrophobicContact CD2-CD1 4.44Å; Y213-L257 HydrophobicContact CE1-CB 4.43Å; Y213-L257 HydrophobicContact CE1-CD2 4.05Å; Y213-L257 HydrophobicContact CE2-CB 4.02Å; Y213-L257 HydrophobicContact CG-CB 4.29Å; Y213-L257 HydrophobicContact CG-CD1 4.14Å; Y213-L257 HydrophobicContact CG-CD2 4.07Å; Y213-L257 HydrophobicContact CG-CG 4.4Å; I235-L257 HydrophobicContact CG2-CD2 3.83Å; I243-L257 HydrophobicContact CD1-CD2 4.17Å; A255-L257 HydrophobicContact CB-CD2 4.16Å; L257-F259 HydrophobicContact CB-CE2 4.12Å; L257-F259 HydrophobicContact CB-CZ 4.11Å; L257-F259 HydrophobicContact CD1-CZ 4.37Å |
| 258 | D | 95.8 | Very high | 97.2 | Very high | 56 Ų | 56 | 53.8 Ų | 53.8 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | trans | -98.4 | 104.8 | 177.1 | -174.7 | 13.2 | 0 | 0 | 0 | 111.6 | Y213 S260 E261 L262 | Y213-D258 PolarHBondContact OH-N 3.47Å; Y213-D258 VanDerWaalsContact OH-N 3.13Å; Y213-D258 PolarHBondContact OH-O 3.28Å; D258-S260 VanDerWaalsContact CG-OG 3.24Å; D258-S260 PolarHBondContact O-N 2.98Å; D258-S260 VanDerWaalsContact OD1-CB 3.25Å; D258-S260 WeakPolarHBondContact OD1-CB 3.4Å; D258-S260 PolarHBondContact OD1-N 2.87Å; D258-S260 PolarHBondContact OD1-OG 2.84Å; D258-S260 VanDerWaalsContact OD1-OG 3.14Å; D258-S260 PolarHBondContact OD2-OG 2.81Å; D258-E261 HydrophobicContact CB-CB 4.25Å; D258-E261 VanDerWaalsContact O-CB 3.31Å; D258-E261 WeakPolarHBondContact O-CB 3.38Å; D258-E261 PolarHBondContact O-N 2.93Å; D258-E261 VanDerWaalsContact O-N 3.1Å; D258-L262 PolarHBondContact O-N 2.79Å | ||
| 259 | F | 94.8 | Very high | 97.2 | Very high | 30 Ų | 30 | 54.2 Ų | 54.2 | 13% | 0.132 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -73.1 | -9 | 177.5 | -63.2 | -76.5 | 0 | 0 | 0 | 113.7 | L2 I156 Q182 Y213 L257 L262 K263 | L2-F259 HydrophobicContact CB-CE2 3.66Å; L2-F259 HydrophobicContact CB-CZ 4.41Å; I156-F259 HydrophobicContact CB-CE2 4.36Å; I156-F259 HydrophobicContact CB-CZ 4.33Å; I156-F259 HydrophobicContact CD1-CB 4.14Å; I156-F259 HydrophobicContact CD1-CD1 3.91Å; I156-F259 HydrophobicContact CD1-CD2 3.41Å; I156-F259 VanDerWaalsContact CD1-CD2 3.41Å; I156-F259 HydrophobicContact CD1-CE1 4.2Å; I156-F259 HydrophobicContact CD1-CE2 3.72Å; I156-F259 HydrophobicContact CD1-CG 3.51Å; I156-F259 HydrophobicContact CD1-CZ 4.12Å; I156-F259 HydrophobicContact CG1-CD2 3.83Å; I156-F259 HydrophobicContact CG1-CE2 3.64Å; I156-F259 HydrophobicContact CG1-CG 4.37Å; I156-F259 HydrophobicContact CG1-CZ 4.06Å; I156-F259 HydrophobicContact CG2-CD1 4.49Å; I156-F259 HydrophobicContact CG2-CE1 3.72Å; I156-F259 HydrophobicContact CG2-CE2 3.84Å; I156-F259 HydrophobicContact CG2-CZ 3.35Å; Q182-F259 HydrophobicContact CB-CD1 3.72Å; Q182-F259 HydrophobicContact CB-CE1 3.51Å; Q182-F259 HydrophobicContact CG-CD1 4.36Å; Y213-F259 HydrophobicContact CD2-CD1 4.43Å; Y213-F259 AromaticContact CD2-CE1 3.97Å; Y213-F259 HydrophobicContact CD2-CE1 3.97Å; Y213-F259 HydrophobicContact CD2-CZ 4.48Å; Y213-F259 HydrophobicContact CE2-CD1 4.47Å; Y213-F259 HydrophobicContact CE2-CE1 4.39Å; L257-F259 HydrophobicContact CB-CE2 4.12Å; L257-F259 HydrophobicContact CB-CZ 4.11Å; L257-F259 HydrophobicContact CD1-CZ 4.37Å; F259-L262 HydrophobicContact CD1-CB 4.45Å; F259-L262 HydrophobicContact CD1-CD1 4.1Å; F259-L262 HydrophobicContact CE1-CD1 4.39Å; F259-K263 PolarHBondContact O-N 2.9Å |
| 260 | S | 94 | Very high | 97.1 | Very high | 76 Ų | 76 | 49.3 Ų | 49.3 | 53% | 0.531 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70.5 | -40.9 | 166.4 | 96.6 | 0 | 0 | 0 | 0 | 111 | D258 K263 C264 | D258-S260 VanDerWaalsContact CG-OG 3.24Å; D258-S260 PolarHBondContact O-N 2.98Å; D258-S260 VanDerWaalsContact OD1-CB 3.25Å; D258-S260 WeakPolarHBondContact OD1-CB 3.4Å; D258-S260 PolarHBondContact OD1-N 2.87Å; D258-S260 PolarHBondContact OD1-OG 2.84Å; D258-S260 VanDerWaalsContact OD1-OG 3.14Å; D258-S260 PolarHBondContact OD2-OG 2.81Å; S260-K263 WeakPolarHBondContact O-CB 3.43Å; S260-K263 PolarHBondContact O-N 3.08Å; S260-C264 PolarHBondContact O-N 3Å |
| 261 | E | 94.5 | Very high | 96.9 | Very high | 65 Ų | 65 | 50.3 Ų | 50.3 | 30% | 0.304 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60 | -48.1 | 171.9 | -176.4 | -173.3 | -157.8 | 0 | 0 | 110.5 | Y213 W239 D258 K263 C264 V265 | Y213-E261 PolarHBondContact OH-OE2 3Å; W239-E261 VanDerWaalsContact CD1-OE1 3.31Å; D258-E261 HydrophobicContact CB-CB 4.25Å; D258-E261 VanDerWaalsContact O-CB 3.31Å; D258-E261 WeakPolarHBondContact O-CB 3.38Å; D258-E261 PolarHBondContact O-N 2.93Å; D258-E261 VanDerWaalsContact O-N 3.1Å; E261-K263 VanDerWaalsContact C-N 3.27Å; E261-K263 PolarHBondContact O-N 2.63Å; E261-C264 CarbonylContact O-C 3.58Å; E261-C264 WeakPolarHBondContact O-CA 3.37Å; E261-C264 WeakPolarHBondContact O-CB 3.26Å; E261-C264 PolarHBondContact O-N 3.47Å; E261-V265 HydrophobicContact CG-CG2 4.28Å; E261-V265 WeakPolarHBondContact O-CG2 3.32Å; E261-V265 PolarHBondContact O-N 3.39Å |
| 262 | L | 95.9 | Very high | 96.5 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56 | -41.7 | 177.2 | 179.9 | 148.6 | 0 | 0 | 0 | 112.4 | Q182 Q211 Y213 P238 D258 F259 V265 R266 | Q182-L262 HydrophobicContact CB-CD1 3.81Å; Q182-L262 HydrophobicContact CG-CD1 4.35Å; Q182-L262 HydrophobicContact CG-CD2 4.25Å; Q182-L262 VanDerWaalsContact O-CD1 3.31Å; Q182-L262 WeakPolarHBondContact O-CD1 3.33Å; Q211-L262 WeakPolarHBondContact O-CD1 3.28Å; Y213-L262 HydrophobicContact CD2-CD1 4.21Å; Y213-L262 HydrophobicContact CE2-CB 4.28Å; P238-L262 HydrophobicContact CG-CB 3.86Å; P238-L262 HydrophobicContact CG-CD1 3.92Å; P238-L262 HydrophobicContact CG-CG 3.97Å; D258-L262 PolarHBondContact O-N 2.79Å; F259-L262 HydrophobicContact CD1-CB 4.45Å; F259-L262 HydrophobicContact CD1-CD1 4.1Å; F259-L262 HydrophobicContact CE1-CD1 4.39Å; L262-V265 PolarHBondContact O-N 2.75Å; L262-R266 WeakPolarHBondContact O-CG 3.35Å; L262-R266 PolarHBondContact O-N 3.13Å; L262-R266 VanDerWaalsContact O-N 3.12Å |
| 263 | K | 95.3 | Very high | 96 | Very high | 124 Ų | 124 | 57.8 Ų | 57.8 | 54% | 0.539 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 175.3 | -178 | -180 | 169.6 | -175.4 | 0 | 110.9 | F259 S260 E261 V265 R266 E267 | F259-K263 PolarHBondContact O-N 2.9Å; S260-K263 WeakPolarHBondContact O-CB 3.43Å; S260-K263 PolarHBondContact O-N 3.08Å; E261-K263 VanDerWaalsContact C-N 3.27Å; E261-K263 PolarHBondContact O-N 2.63Å; K263-V265 VanDerWaalsContact C-N 3.33Å; K263-V265 PolarHBondContact O-N 2.89Å; K263-R266 PolarHBondContact O-N 3Å; K263-E267 WeakPolarHBondContact CE-OE1 3.49Å; K263-E267 IonicContact NZ-OE1 2.83Å; K263-E267 WeakPolarHBondContact O-CG 3.48Å; K263-E267 PolarHBondContact O-N 2.93Å |
| 264 | C | 97.1 | Very high | 95.8 | Very high | 61 Ų | 61 | 63.4 Ų | 63.4 | 41% | 0.412 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.3 | -44 | 176.4 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | S260 E261 R266 E267 S268 | S260-C264 PolarHBondContact O-N 3Å; E261-C264 CarbonylContact O-C 3.58Å; E261-C264 WeakPolarHBondContact O-CA 3.37Å; E261-C264 WeakPolarHBondContact O-CB 3.26Å; E261-C264 PolarHBondContact O-N 3.47Å; C264-R266 PolarHBondContact O-N 2.67Å; C264-E267 PolarHBondContact O-N 3.41Å; C264-S268 VanDerWaalsContact O-CB 3.29Å; C264-S268 WeakPolarHBondContact O-CB 3.47Å; C264-S268 PolarHBondContact O-N 2.82Å; C264-S268 PolarHBondContact O-OG 2.75Å |
| 265 | V | 97.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.1 | -48.8 | 177.1 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | Q211 P238 W239 E261 L262 K263 E267 S268 I269 | Q211-V265 HydrophobicContact CB-CG1 4.44Å; Q211-V265 HydrophobicContact CG-CG1 4.22Å; Q211-V265 PolarHBondContact NE2-O 2.7Å; P238-V265 HydrophobicContact CB-CB 4.12Å; P238-V265 HydrophobicContact CB-CG1 3.99Å; P238-V265 HydrophobicContact CB-CG2 3.92Å; W239-V265 HydrophobicContact CD2-CG1 4.2Å; W239-V265 HydrophobicContact CD2-CG2 3.81Å; W239-V265 HydrophobicContact CE3-CG1 4.28Å; W239-V265 HydrophobicContact CG-CG2 4.02Å; W239-V265 HydrophobicContact CH2-CG1 4.5Å; W239-V265 HydrophobicContact CZ2-CB 4.24Å; W239-V265 HydrophobicContact CZ2-CG1 4.42Å; W239-V265 HydrophobicContact CZ2-CG2 3.7Å; W239-V265 HydrophobicContact CZ3-CG1 4.44Å; E261-V265 HydrophobicContact CG-CG2 4.28Å; E261-V265 WeakPolarHBondContact O-CG2 3.32Å; E261-V265 PolarHBondContact O-N 3.39Å; L262-V265 PolarHBondContact O-N 2.75Å; K263-V265 VanDerWaalsContact C-N 3.33Å; K263-V265 PolarHBondContact O-N 2.89Å; V265-E267 VanDerWaalsContact C-N 3.31Å; V265-E267 PolarHBondContact O-N 3.24Å; V265-S268 PolarHBondContact O-N 3.44Å; V265-I269 PolarHBondContact O-N 2.78Å |
| 266 | R | 97 | Very high | 95.3 | Very high | 72 Ų | 72 | 69.5 Ų | 69.5 | 27% | 0.272 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66 | -30.2 | 179.5 | -70.9 | 179.7 | 178 | -175.8 | -1.9 | 113 | C181 Q211 C212 L262 K263 C264 P270 | C181-R266 PolarHBondContact O-NH2 2.94Å; C181-R266 VanDerWaalsContact O-NH2 3.1Å; Q211-R266 HydrophobicContact CB-CG 3.77Å; Q211-R266 HydrophobicContact CG-CG 4.49Å; Q211-R266 PolarHBondContact O-NE 2.88Å; Q211-R266 VanDerWaalsContact O-NE 3.11Å; Q211-R266 PolarHBondContact O-NH2 2.79Å; Q211-R266 VanDerWaalsContact O-NH2 3.11Å; C212-R266 PolarHBondContact SG-NH2 2.82Å; C212-R266 VanDerWaalsContact SG-NH2 3.41Å; L262-R266 WeakPolarHBondContact O-CG 3.35Å; L262-R266 PolarHBondContact O-N 3.13Å; L262-R266 VanDerWaalsContact O-N 3.12Å; K263-R266 PolarHBondContact O-N 3Å; C264-R266 PolarHBondContact O-N 2.67Å; R266-P270 WeakPolarHBondContact O-CA 2.96Å; R266-P270 WeakPolarHBondContact O-CB 3.42Å |
| 267 | E | 97.1 | Very high | 94.9 | Very high | 114 Ų | 114 | 71.6 Ų | 71.6 | 53% | 0.533 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -76.6 | -41.5 | 174.2 | -73.2 | 173.7 | 171.6 | 0 | 0 | 111.9 | K263 C264 V265 | K263-E267 WeakPolarHBondContact CE-OE1 3.49Å; K263-E267 IonicContact NZ-OE1 2.83Å; K263-E267 WeakPolarHBondContact O-CG 3.48Å; K263-E267 PolarHBondContact O-N 2.93Å; C264-E267 PolarHBondContact O-N 3.41Å; V265-E267 VanDerWaalsContact C-N 3.31Å; V265-E267 PolarHBondContact O-N 3.24Å |
| 268 | S | 97.4 | Very high | 94.8 | Very high | 74 Ų | 74 | 76.9 Ų | 76.9 | 52% | 0.517 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -71.1 | -44.5 | -176.8 | -55.7 | 0 | 0 | 0 | 0 | 112.8 | C264 V265 | C264-S268 VanDerWaalsContact O-CB 3.29Å; C264-S268 WeakPolarHBondContact O-CB 3.47Å; C264-S268 PolarHBondContact O-N 2.82Å; C264-S268 PolarHBondContact O-OG 2.75Å; V265-S268 PolarHBondContact O-N 3.44Å |
| 269 | I | 97.5 | Very high | 94.7 | Very high | 84 Ų | 84 | 80 Ų | 80 | 43% | 0.431 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -123.2 | 85.3 | 177.2 | -51.5 | -173.5 | 0 | 0 | 0 | 108 | Q211 W239 V265 I271 | Q211-I269 PolarHBondContact NE2-O 3.09Å; Q211-I269 PolarHBondContact OE1-O 3.43Å; W239-I269 HydrophobicContact CH2-CD1 4.39Å; W239-I269 HydrophobicContact CH2-CG1 4.47Å; W239-I269 HydrophobicContact CZ3-CD1 3.66Å; W239-I269 HydrophobicContact CZ3-CG1 4.19Å; V265-I269 PolarHBondContact O-N 2.78Å; I269-I271 HydrophobicContact CG2-CG2 3.81Å; I269-I271 PolarHBondContact O-N 3.38Å |
| 270 | P | 96.1 | Very high | 94.5 | Very high | 16 Ų | 16 | 84 Ų | 84 | 10% | 0.104 | 41% | 0.414 | C | S | . | . | trans | -87 | 54.7 | -161.6 | 37.5 | -40.7 | 0 | 0 | 0 | 113.8 | R266 G272 R273 Q274 | R266-P270 WeakPolarHBondContact O-CA 2.96Å; R266-P270 WeakPolarHBondContact O-CB 3.42Å; P270-G272 PolarHBondContact O-N 2.88Å; P270-R273 HydrophobicContact CB-CG 3.8Å; P270-R273 VanDerWaalsContact O-CG 3.29Å; P270-R273 WeakPolarHBondContact O-CG 3.4Å; P270-R273 PolarHBondContact O-N 3.14Å; P270-Q274 HydrophobicContact CG-CG 4.44Å; P270-Q274 WeakPolarHBondContact O-CG 3.12Å; P270-Q274 PolarHBondContact O-N 3.38Å | ||
| 271 | I | 94.8 | Very high | 94 | Very high | 62 Ų | 62 | 85.1 Ų | 85.1 | 32% | 0.318 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -58.1 | -34.4 | -174.7 | 65.9 | 177.3 | 0 | 0 | 0 | 112.4 | Q211 I269 R273 Q274 R275 | Q211-I271 HydrophobicContact CG-CD1 3.89Å; Q211-I271 HydrophobicContact CG-CG1 4.19Å; I269-I271 HydrophobicContact CG2-CG2 3.81Å; I269-I271 PolarHBondContact O-N 3.38Å; I271-R273 PolarHBondContact O-N 3.48Å; I271-Q274 PolarHBondContact O-N 3.05Å; I271-R275 VanDerWaalsContact O-CG 3.3Å; I271-R275 WeakPolarHBondContact O-CG 3.38Å; I271-R275 PolarHBondContact O-N 3.12Å |
| 272 | G | 89.7 | Confident | 93.2 | Very high | 39 Ų | 39 | 82.4 Ų | 82.4 | 40% | 0.402 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -61.4 | -39.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | P270 R275 | P270-G272 PolarHBondContact O-N 2.88Å; G272-R275 WeakPolarHBondContact O-CG 3.5Å |
| 273 | R | 89.8 | Confident | 92.2 | Very high | 199 Ų | 199 | 85.8 Ų | 85.8 | 75% | 0.751 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -87.7 | -8.6 | 177.1 | 64.2 | 173.4 | -175.8 | -159.4 | -8.2 | 113.8 | P270 I271 | P270-R273 HydrophobicContact CB-CG 3.8Å; P270-R273 VanDerWaalsContact O-CG 3.29Å; P270-R273 WeakPolarHBondContact O-CG 3.4Å; P270-R273 PolarHBondContact O-N 3.14Å; I271-R273 PolarHBondContact O-N 3.48Å |
| 274 | Q | 94.4 | Very high | 91.3 | Very high | 125 Ų | 125 | 87.7 Ų | 87.7 | 58% | 0.584 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -97.2 | 2.9 | 179.2 | -71 | 174.4 | -33.4 | 0 | 0 | 112.9 | P270 I271 R276 | P270-Q274 HydrophobicContact CG-CG 4.44Å; P270-Q274 WeakPolarHBondContact O-CG 3.12Å; P270-Q274 PolarHBondContact O-N 3.38Å; I271-Q274 PolarHBondContact O-N 3.05Å; Q274-R276 PolarHBondContact O-N 2.89Å |
| 275 | R | 92.8 | Very high | 90.2 | Very high | 56 Ų | 56 | 87.2 Ų | 87.2 | 21% | 0.211 | 43% | 0.43 | C | S | . | . | trans | -63.4 | 132.9 | 176 | -59.3 | -176.6 | 66 | -143.7 | -7.1 | 110.5 | I271 G272 L277 Y280 T282 | I271-R275 VanDerWaalsContact O-CG 3.3Å; I271-R275 WeakPolarHBondContact O-CG 3.38Å; I271-R275 PolarHBondContact O-N 3.12Å; G272-R275 WeakPolarHBondContact O-CG 3.5Å; R275-L277 VanDerWaalsContact C-N 3.28Å; R275-L277 HydrophobicContact CB-CD2 4.06Å; R275-L277 HydrophobicContact CB-CG 4.29Å; R275-L277 PolarHBondContact O-N 2.65Å; R275-Y280 WeakPolarHBondContact CA-OH 3.35Å; R275-Y280 HydrophobicContact CB-CE2 4.28Å; R275-T282 VanDerWaalsContact CZ-OG1 3.27Å; R275-T282 PolarHBondContact NH1-OG1 3.37Å; R275-T282 VanDerWaalsContact NH1-OG1 3.14Å; R275-T282 PolarHBondContact NH2-OG1 3.11Å | ||
| 276 | R | 94.6 | Very high | 89 | Confident | 129 Ų | 129 | 93.9 Ų | 93.9 | 49% | 0.487 | 47% | 0.47 | S | S | . | . | trans | -82.9 | 72.7 | 177.6 | -69.4 | -64.7 | -58.9 | -84.1 | -1 | 110.8 | Q274 D278 I279 Y280 | Q274-R276 PolarHBondContact O-N 2.89Å; R276-D278 VanDerWaalsContact C-OD1 3.29Å; R276-D278 WeakPolarHBondContact CA-OD1 3.34Å; R276-D278 IonicContact CZ-OD1 2.8Å; R276-D278 IonicContact CZ-OD2 3.38Å; R276-D278 IonicContact NE-OD1 3.49Å; R276-D278 PolarHBondContact NE-OD1 2.95Å; R276-D278 IonicContact NE-OD2 3.76Å; R276-D278 PolarHBondContact NE-OD2 3.44Å; R276-D278 IonicContact NH2-OD1 3.51Å; R276-D278 IonicContact NH2-OD2 2.74Å; R276-D278 PolarHBondContact NH2-OD2 3.41Å; R276-D278 PolarHBondContact O-N 2.97Å; R276-I279 HydrophobicContact CB-CB 4.15Å; R276-I279 HydrophobicContact CB-CG1 4.06Å; R276-I279 PolarHBondContact O-N 2.84Å; R276-Y280 HydrophobicContact CB-CD1 4.31Å; R276-Y280 HydrophobicContact CB-CE1 3.75Å; R276-Y280 PolarHBondContact N-OH 2.69Å; R276-Y280 PolarHBondContact O-N 3.36Å | ||
| 277 | L | 89.9 | Confident | 87.1 | Confident | 111 Ų | 111 | 99.3 Ų | 99.3 | 58% | 0.581 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14.4 | -179 | -61 | -175.8 | 0 | 0 | 0 | 113.8 | R275 Y280 | R275-L277 VanDerWaalsContact C-N 3.28Å; R275-L277 HydrophobicContact CB-CD2 4.06Å; R275-L277 HydrophobicContact CB-CG 4.29Å; R275-L277 PolarHBondContact O-N 2.65Å; L277-Y280 VanDerWaalsContact CA-O 3.25Å; L277-Y280 WeakPolarHBondContact CA-O 3.36Å |
| 278 | D | 93.8 | Very high | 85.2 | Confident | 111 Ų | 111 | 101.1 Ų | 101.1 | 59% | 0.594 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -20.6 | 170.2 | 62.2 | -54.2 | 0 | 0 | 0 | 113.3 | R276 | R276-D278 VanDerWaalsContact C-OD1 3.29Å; R276-D278 WeakPolarHBondContact CA-OD1 3.34Å; R276-D278 IonicContact CZ-OD1 2.8Å; R276-D278 IonicContact CZ-OD2 3.38Å; R276-D278 IonicContact NE-OD1 3.49Å; R276-D278 PolarHBondContact NE-OD1 2.95Å; R276-D278 IonicContact NE-OD2 3.76Å; R276-D278 PolarHBondContact NE-OD2 3.44Å; R276-D278 IonicContact NH2-OD1 3.51Å; R276-D278 IonicContact NH2-OD2 2.74Å; R276-D278 PolarHBondContact NH2-OD2 3.41Å; R276-D278 PolarHBondContact O-N 2.97Å |
| 279 | I | 94.6 | Very high | 82.5 | Confident | 122 Ų | 122 | 106.7 Ų | 106.7 | 63% | 0.626 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -38.4 | -178.5 | -54.9 | -57.9 | 0 | 0 | 0 | 111.6 | R276 | R276-I279 HydrophobicContact CB-CB 4.15Å; R276-I279 HydrophobicContact CB-CG1 4.06Å; R276-I279 PolarHBondContact O-N 2.84Å |
| 280 | Y | 91.8 | Very high | 79.9 | Confident | 114 Ų | 114 | 111.5 Ų | 111.5 | 45% | 0.447 | 56% | 0.561 | S | S | . | * | trans | -144 | 160.1 | -178.2 | 60.8 | -104.5 | 0 | 0 | 0 | 111.6 | R275 R276 L277 | R275-Y280 WeakPolarHBondContact CA-OH 3.35Å; R275-Y280 HydrophobicContact CB-CE2 4.28Å; R276-Y280 HydrophobicContact CB-CD1 4.31Å; R276-Y280 HydrophobicContact CB-CE1 3.75Å; R276-Y280 PolarHBondContact N-OH 2.69Å; R276-Y280 PolarHBondContact O-N 3.36Å; L277-Y280 VanDerWaalsContact CA-O 3.25Å; L277-Y280 WeakPolarHBondContact CA-O 3.36Å | ||
| 281 | T | 82.8 | Confident | 79.1 | Confident | 100 Ų | 100 | 116.3 Ų | 116.3 | 61% | 0.613 | 58% | 0.583 | S | S | * | * | trans | -134.6 | 153 | 171.8 | -170.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 282 | T | 78.4 | Confident | 78.3 | Confident | 8 Ų | 8 | 119.1 Ų | 119.1 | 5% | 0.049 | 60% | 0.597 | C | S | . | * | P | Polyproline II helix | trans | -69.6 | 141.5 | 166.3 | -49.7 | 0 | 0 | 0 | 0 | 107.9 | L173 L174 R275 K284 | L173-T282 HydrophobicContact CB-CG2 4.25Å; L174-T282 HydrophobicContact CB-CG2 4.38Å; R275-T282 VanDerWaalsContact CZ-OG1 3.27Å; R275-T282 PolarHBondContact NH1-OG1 3.37Å; R275-T282 VanDerWaalsContact NH1-OG1 3.14Å; R275-T282 PolarHBondContact NH2-OG1 3.11Å; T282-K284 PolarHBondContact O-N 2.85Å |
| 283 | P | 72.9 | Confident | 77.6 | Confident | 79 Ų | 79 | 123.6 Ų | 123.6 | 51% | 0.513 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -46.6 | 128 | 169.6 | -28 | 34.9 | 0 | 0 | 0 | 110.8 | Q178 | Q178-P283 PolarHBondContact NE2-O 3.03Š|
| 284 | K | 76.3 | Confident | 76.9 | Confident | 163 Ų | 163 | 119.1 Ų | 119.1 | 71% | 0.709 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 143.9 | 178 | -71.4 | -173.6 | 179.6 | 180 | 0 | 109.3 | T282 V286 | T282-K284 PolarHBondContact O-N 2.85Å; K284-V286 PolarHBondContact O-N 3.06Å |
| 285 | L | 74.9 | Confident | 75.8 | Confident | 52 Ų | 52 | 118.8 Ų | 118.8 | 27% | 0.272 | 60% | 0.601 | S | S | . | * | trans | -51.5 | 113.5 | 162.7 | -88.9 | 162.4 | 0 | 0 | 0 | 110 | T139 L174 Q178 L179 K287 | T139-L285 HydrophobicContact CG2-CD2 3.89Å; T139-L285 WeakPolarHBondContact OG1-CD2 3.34Å; L174-L285 HydrophobicContact CD1-CD2 3.99Å; L174-L285 HydrophobicContact CD1-CG 3.81Å; L174-L285 HydrophobicContact CD2-CD1 3.86Å; L174-L285 HydrophobicContact CD2-CD2 3.84Å; L174-L285 HydrophobicContact CD2-CG 3.7Å; L174-L285 HydrophobicContact CG-CD1 4.39Å; L174-L285 HydrophobicContact CG-CD2 4.37Å; L174-L285 HydrophobicContact CG-CG 3.92Å; Q178-L285 VanDerWaalsContact OE1-N 3.1Å; L179-L285 HydrophobicContact CD1-CD1 4.03Å; L179-L285 HydrophobicContact CD2-CD1 3.38Å; L179-L285 HydrophobicContact CG-CD1 3.75Å; L285-K287 VanDerWaalsContact C-N 3.32Å; L285-K287 PolarHBondContact O-N 3.23Å | ||
| 286 | V | 72.2 | Confident | 74.7 | Confident | 142 Ų | 142 | 122.9 Ų | 122.9 | 86% | 0.861 | 63% | 0.627 | S | S | * | * | trans | -77.6 | 90.9 | 171.1 | -173.3 | 0 | 0 | 0 | 0 | 106.5 | K284 K288 | K284-V286 PolarHBondContact O-N 3.06Å; V286-K288 PolarHBondContact O-N 2.93Å | ||
| 287 | K | 58 | Low | 73.3 | Confident | 185 Ų | 185 | 122.5 Ų | 122.5 | 80% | 0.804 | 64% | 0.637 | S | S | * | * | trans | -64.9 | 125.9 | 167.6 | -73.3 | -171.4 | 177.6 | -174.8 | 0 | 107.4 | L285 Q289 | L285-K287 VanDerWaalsContact C-N 3.32Å; L285-K287 PolarHBondContact O-N 3.23Å; K287-Q289 PolarHBondContact O-N 3.26Å | ||
| 288 | K | 56.6 | Low | 72 | Confident | 152 Ų | 152 | 123.4 Ų | 123.4 | 66% | 0.661 | 64% | 0.641 | S | S | * | * | trans | -55.5 | 127 | 167.4 | -117.9 | 179.1 | 176.7 | -178.8 | 0 | 108.1 | V286 S290 | V286-K288 PolarHBondContact O-N 2.93Å; K288-S290 PolarHBondContact O-N 3.41Å | ||
| 289 | Q | 39.9 | Very low | 70.2 | Confident | 191 Ų | 191 | 124.4 Ų | 124.4 | 89% | 0.893 | 65% | 0.645 | S | S | * | * | trans | -64.1 | 115.2 | 157.1 | -73.7 | -178.4 | -14 | 0 | 0 | 105.6 | K287 | K287-Q289 PolarHBondContact O-N 3.26Š| ||
| 290 | S | 43.5 | Very low | 67.9 | Low | 185 Ų | 185 | 124.6 Ų | 124.6 | 100% | 1.294 | 65% | 0.647 | S | S | * | * | trans | -60.6 | 0 | 171.5 | 53.2 | 0 | 0 | 0 | 0 | 110.8 | K288 | K288-S290 PolarHBondContact O-N 3.41Š|
Retrieved 290 of 290 residues in 77.5 ms
(Link to these results)