| 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 | 92.2 | Very high | 97.2 | Very high | 68 Ų | 68 | 76.5 Ų | 76.5 | 34% | 0.335 | 34% | 0.339 | S | S | . | . | 0 | -63.6 | 0 | -57.7 | -44.8 | 153.2 | 0 | 0 | 112.4 | R3 Q4 V5 V163 E169 E172 L173 Q176 | M1-R3 PolarHBondContact O-N 3.28Å; M1-Q4 PolarHBondContact O-N 2.82Å; M1-Q4 VanDerWaalsContact O-N 3.08Å; M1-V5 PolarHBondContact O-N 2.75Å; M1-V5 VanDerWaalsContact O-N 3.13Å; M1-V163 HydrophobicContact CE-CG1 3.58Å; M1-V163 HydrophobicContact SD-CG1 3.51Å; M1-V163 VanDerWaalsContact SD-CG1 3.51Å; M1-E169 HydrophobicContact CE-CB 4.15Å; M1-E169 HydrophobicContact CE-CG 4.35Å; M1-E172 HydrophobicContact CG-CB 4.12Å; M1-L173 HydrophobicContact CB-CD1 4.35Å; M1-L173 HydrophobicContact CG-CB 4.35Å; M1-L173 HydrophobicContact CG-CD1 4.44Å; M1-L173 HydrophobicContact SD-CB 4.47Å; M1-L173 HydrophobicContact SD-CD1 4.05Å; M1-Q176 HydrophobicContact CB-CG 4.31Å | |||
| 2 | E | 95.9 | Very high | 97.3 | Very high | 124 Ų | 124 | 72.2 Ų | 72.2 | 58% | 0.579 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -50.2 | -51.6 | -177.5 | -175.7 | 179.2 | -167 | 0 | 0 | 114.4 | Q4 V5 L6 | E2-Q4 VanDerWaalsContact C-N 3.27Å; E2-Q4 PolarHBondContact O-N 3.23Å; E2-V5 PolarHBondContact O-N 2.9Å; E2-V5 VanDerWaalsContact O-N 3.17Å; E2-L6 HydrophobicContact CG-CD1 3.95Å; E2-L6 HydrophobicContact CG-CG 4.38Å; E2-L6 WeakPolarHBondContact O-CG 3.42Å; E2-L6 PolarHBondContact O-N 2.74Å |
| 3 | R | 96.8 | Very high | 97.4 | Very high | 222 Ų | 222 | 80.9 Ų | 80.9 | 84% | 0.838 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58.4 | -36.9 | -179.6 | -162 | -175.5 | -70.1 | 179.1 | -1.8 | 113 | M1 R7 | M1-R3 PolarHBondContact O-N 3.28Å; R3-R7 PolarHBondContact O-N 2.7Å; R3-R7 VanDerWaalsContact O-N 3.1Å |
| 4 | Q | 94.9 | Very high | 97.5 | Very high | 75 Ų | 75 | 80.6 Ų | 80.6 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70 | -44.7 | 177.3 | -76.4 | 176 | -21.6 | 0 | 0 | 111.5 | M1 E2 L6 R7 L8 V163 | M1-Q4 PolarHBondContact O-N 2.82Å; M1-Q4 VanDerWaalsContact O-N 3.08Å; E2-Q4 VanDerWaalsContact C-N 3.27Å; E2-Q4 PolarHBondContact O-N 3.23Å; Q4-L6 VanDerWaalsContact C-N 3.32Å; Q4-L6 PolarHBondContact O-N 3.46Å; Q4-R7 WeakPolarHBondContact O-CB 3.38Å; Q4-R7 PolarHBondContact O-N 3.3Å; Q4-L8 WeakPolarHBondContact O-CD1 3.31Å; Q4-L8 PolarHBondContact O-N 3.43Å; Q4-L8 VanDerWaalsContact O-N 3.14Å; Q4-V163 VanDerWaalsContact OE1-CG2 3.28Å |
| 5 | V | 98.1 | Very high | 97.6 | Very high | 6 Ų | 6 | 76.3 Ų | 76.3 | 4% | 0.036 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63 | -40.7 | 177.2 | 177.6 | 0 | 0 | 0 | 0 | 111 | M1 E2 L8 R9 I133 L173 Q176 F178 | M1-V5 PolarHBondContact O-N 2.75Å; M1-V5 VanDerWaalsContact O-N 3.13Å; E2-V5 PolarHBondContact O-N 2.9Å; E2-V5 VanDerWaalsContact O-N 3.17Å; V5-L8 PolarHBondContact O-N 3.07Å; V5-R9 WeakPolarHBondContact O-CB 3.38Å; V5-R9 PolarHBondContact O-N 2.98Å; V5-I133 HydrophobicContact CG2-CD1 3.67Å; V5-L173 HydrophobicContact CG2-CD1 4.22Å; V5-Q176 HydrophobicContact CB-CB 4.34Å; V5-Q176 HydrophobicContact CG1-CB 4.23Å; V5-Q176 HydrophobicContact CG2-CB 3.84Å; V5-Q176 HydrophobicContact CG2-CG 3.9Å; V5-F178 HydrophobicContact CG1-CE1 4.41Å; V5-F178 HydrophobicContact CG2-CE1 4.13Å; V5-F178 HydrophobicContact CG2-CZ 3.79Å |
| 6 | L | 98.1 | Very high | 97.6 | Very high | 85 Ų | 85 | 76.5 Ų | 76.5 | 45% | 0.445 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 175.8 | -74.4 | 174.1 | 0 | 0 | 0 | 112.2 | E2 Q4 L8 R9 Q10 | E2-L6 HydrophobicContact CG-CD1 3.95Å; E2-L6 HydrophobicContact CG-CG 4.38Å; E2-L6 WeakPolarHBondContact O-CG 3.42Å; E2-L6 PolarHBondContact O-N 2.74Å; Q4-L6 VanDerWaalsContact C-N 3.32Å; Q4-L6 PolarHBondContact O-N 3.46Å; L6-L8 PolarHBondContact O-N 2.66Å; L6-R9 PolarHBondContact O-N 3.13Å; L6-Q10 WeakPolarHBondContact O-CG 3.46Å; L6-Q10 PolarHBondContact O-N 2.99Å |
| 7 | R | 98.5 | Very high | 97.7 | Very high | 87 Ų | 87 | 72 Ų | 72 | 33% | 0.328 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -55.9 | -50 | 175.2 | -179.4 | -172.1 | 67.3 | 159.4 | 5 | 111.2 | R3 Q4 R9 Q10 A11 Q157 D158 | R3-R7 PolarHBondContact O-N 2.7Å; R3-R7 VanDerWaalsContact O-N 3.1Å; Q4-R7 WeakPolarHBondContact O-CB 3.38Å; Q4-R7 PolarHBondContact O-N 3.3Å; R7-R9 PolarHBondContact O-N 3.35Å; R7-Q10 PolarHBondContact O-N 3.41Å; R7-A11 PolarHBondContact O-N 3.42Å; R7-Q157 PolarHBondContact NH1-O 3.24Å; R7-Q157 PolarHBondContact NH2-O 2.87Å; R7-D158 HydrophobicContact CG-CB 4.02Å; R7-D158 IonicContact NH1-OD1 2.61Å |
| 8 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 179.3 | -90 | 64.1 | 0 | 0 | 0 | 112.9 | Q4 V5 L6 Q10 A11 F12 V104 A131 A132 I133 D158 A161 | Q4-L8 WeakPolarHBondContact O-CD1 3.31Å; Q4-L8 PolarHBondContact O-N 3.43Å; Q4-L8 VanDerWaalsContact O-N 3.14Å; V5-L8 PolarHBondContact O-N 3.07Å; L6-L8 PolarHBondContact O-N 2.66Å; L8-Q10 VanDerWaalsContact C-N 3.32Å; L8-Q10 PolarHBondContact O-N 3.03Å; L8-A11 PolarHBondContact O-N 2.96Å; L8-F12 WeakPolarHBondContact O-CB 3.33Å; L8-F12 PolarHBondContact O-N 3.23Å; L8-V104 HydrophobicContact CB-CG1 4.27Å; L8-V104 HydrophobicContact CD2-CG1 4.43Å; L8-A131 HydrophobicContact CB-CB 4.28Å; L8-A132 WeakPolarHBondContact CD2-O 3.47Å; L8-I133 HydrophobicContact CD2-CD1 4.04Å; L8-I133 HydrophobicContact CD2-CG1 3.29Å; L8-D158 VanDerWaalsContact CA-O 3.22Å; L8-D158 WeakPolarHBondContact CA-O 3.47Å; L8-D158 VanDerWaalsContact CD1-O 3.22Å; L8-D158 WeakPolarHBondContact CD1-O 3.26Å; L8-D158 WeakPolarHBondContact CG-O 3.37Å; L8-A161 HydrophobicContact CD1-CB 4.06Å; L8-A161 HydrophobicContact CD2-CB 4.2Å |
| 9 | R | 98.8 | Very high | 97.8 | Very high | 33 Ų | 33 | 75.3 Ų | 75.3 | 13% | 0.125 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.1 | -36.9 | 176.8 | -168.7 | 167 | -70.2 | -78.6 | -5.1 | 111.8 | V5 L6 R7 R13 V104 R177 D179 | V5-R9 WeakPolarHBondContact O-CB 3.38Å; V5-R9 PolarHBondContact O-N 2.98Å; L6-R9 PolarHBondContact O-N 3.13Å; R7-R9 PolarHBondContact O-N 3.35Å; R9-R13 WeakPolarHBondContact O-CB 3.34Å; R9-R13 WeakPolarHBondContact O-CG 3.5Å; R9-R13 PolarHBondContact O-N 3.14Å; R9-V104 HydrophobicContact CB-CG2 3.92Å; R9-V104 HydrophobicContact CG-CG2 4.29Å; R9-R177 PolarHBondContact NH2-O 3.35Å; R9-D179 IonicContact CZ-OD2 3.55Å; R9-D179 VanDerWaalsContact CZ-OD2 3.27Å; R9-D179 IonicContact NH1-OD1 3.96Å; R9-D179 PolarHBondContact NH1-OD1 3.39Å; R9-D179 IonicContact NH1-OD2 3.74Å; R9-D179 PolarHBondContact NH1-OD2 2.75Å; R9-D179 IonicContact NH2-OD1 3.97Å; R9-D179 IonicContact NH2-OD2 2.92Å; R9-D179 PolarHBondContact NH2-OD2 2.9Å |
| 10 | Q | 98.7 | Very high | 97.8 | Very high | 132 Ų | 132 | 74.6 Ų | 74.6 | 62% | 0.617 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -66.7 | -44.9 | 173.4 | -72.9 | 173.4 | -2.8 | 0 | 0 | 111.5 | L6 R7 L8 F12 R13 S14 | L6-Q10 WeakPolarHBondContact O-CG 3.46Å; L6-Q10 PolarHBondContact O-N 2.99Å; R7-Q10 PolarHBondContact O-N 3.41Å; L8-Q10 VanDerWaalsContact C-N 3.32Å; L8-Q10 PolarHBondContact O-N 3.03Å; Q10-F12 PolarHBondContact O-N 2.92Å; Q10-R13 PolarHBondContact O-N 3.28Å; Q10-S14 PolarHBondContact O-N 3.48Å; Q10-S14 VanDerWaalsContact O-N 3.07Å |
| 11 | A | 98.8 | Very high | 97.8 | Very high | 9 Ų | 9 | 80.2 Ų | 80.2 | 7% | 0.074 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.4 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | R7 L8 R13 S14 D158 L159 | R7-A11 PolarHBondContact O-N 3.42Å; L8-A11 PolarHBondContact O-N 2.96Å; A11-R13 PolarHBondContact O-N 2.92Å; A11-S14 WeakPolarHBondContact O-CB 3.47Å; A11-S14 PolarHBondContact O-N 3.33Å; A11-S14 PolarHBondContact O-OG 3.49Å; A11-D158 HydrophobicContact CB-CB 3.75Å; A11-D158 VanDerWaalsContact CB-O 3.29Å; A11-D158 WeakPolarHBondContact CB-O 3.2Å; A11-L159 HydrophobicContact CB-CD2 3.78Å; A11-L159 HydrophobicContact CB-CG 4.07Å |
| 12 | F | 98.9 | Very high | 98.2 | Very high | 25 Ų | 25 | 78.6 Ų | 78.6 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 173.4 | 174.7 | -104 | 0 | 0 | 0 | 111.9 | L8 Q10 S14 G15 P101 A131 L159 | L8-F12 WeakPolarHBondContact O-CB 3.33Å; L8-F12 PolarHBondContact O-N 3.23Å; Q10-F12 PolarHBondContact O-N 2.92Å; F12-S14 PolarHBondContact O-N 3.47Å; F12-G15 PolarHBondContact O-N 3.33Å; F12-P101 HydrophobicContact CE2-CB 3.82Å; F12-P101 HydrophobicContact CE2-CG 3.81Å; F12-P101 HydrophobicContact CZ-CB 4.15Å; F12-P101 HydrophobicContact CZ-CG 3.97Å; F12-A131 HydrophobicContact CB-CB 4.05Å; F12-L159 HydrophobicContact CB-CD2 4.43Å |
| 13 | R | 98.7 | Very high | 98.3 | Very high | 186 Ų | 186 | 73.8 Ų | 73.8 | 70% | 0.702 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.1 | -23.6 | 179.3 | -77.3 | 172.5 | 177.2 | 177.8 | -0.1 | 113.8 | R9 Q10 A11 G15 | R9-R13 WeakPolarHBondContact O-CB 3.34Å; R9-R13 WeakPolarHBondContact O-CG 3.5Å; R9-R13 PolarHBondContact O-N 3.14Å; Q10-R13 PolarHBondContact O-N 3.28Å; A11-R13 PolarHBondContact O-N 2.92Å; R13-G15 PolarHBondContact O-N 2.59Å |
| 14 | S | 98.6 | Very high | 98.4 | Very high | 76 Ų | 76 | 65 Ų | 65 | 53% | 0.531 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20.6 | 171.4 | 78.9 | 0 | 0 | 0 | 0 | 112.8 | Q10 A11 F12 R16 | Q10-S14 PolarHBondContact O-N 3.48Å; Q10-S14 VanDerWaalsContact O-N 3.07Å; A11-S14 WeakPolarHBondContact O-CB 3.47Å; A11-S14 PolarHBondContact O-N 3.33Å; A11-S14 PolarHBondContact O-OG 3.49Å; F12-S14 PolarHBondContact O-N 3.47Å; S14-R16 VanDerWaalsContact C-N 3.27Å; S14-R16 PolarHBondContact O-N 3.19Å; S14-R16 WeakPolarHBondContact OG-CG 3.43Å; S14-R16 PolarHBondContact OG-N 2.67Å |
| 15 | G | 98.4 | Very high | 98.6 | Very high | 16 Ų | 16 | 65.4 Ų | 65.4 | 17% | 0.165 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 2.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | F12 R13 S17 R18 P19 | F12-G15 PolarHBondContact O-N 3.33Å; R13-G15 PolarHBondContact O-N 2.59Å; G15-S17 PolarHBondContact O-N 2.88Å; G15-R18 VanDerWaalsContact O-CB 3.24Å; G15-R18 WeakPolarHBondContact O-CB 3.26Å; G15-R18 WeakPolarHBondContact O-CG 3.45Å; G15-R18 PolarHBondContact O-N 2.97Å; G15-P19 WeakPolarHBondContact O-CD 3.25Å |
| 16 | R | 97.9 | Very high | 98.6 | Very high | 80 Ų | 80 | 66 Ų | 66 | 30% | 0.302 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -23.6 | -176 | 77.9 | -173 | -178.4 | -162.7 | -0.4 | 114.5 | S14 P19 F22 D156 D158 L159 | S14-R16 VanDerWaalsContact C-N 3.27Å; S14-R16 PolarHBondContact O-N 3.19Å; S14-R16 WeakPolarHBondContact OG-CG 3.43Å; S14-R16 PolarHBondContact OG-N 2.67Å; R16-P19 WeakPolarHBondContact O-CD 3.21Å; R16-F22 HydrophobicContact CG-CZ 4.48Å; R16-F22 WeakPolarHBondContact O-CB 3.5Å; R16-F22 WeakPolarHBondContact O-CD1 3.44Å; R16-F22 WeakPolarHBondContact O-CG 3.28Å; R16-D156 IonicContact CZ-OD1 2.85Å; R16-D156 IonicContact CZ-OD2 3.11Å; R16-D156 IonicContact NE-OD1 2.61Å; R16-D156 IonicContact NE-OD2 2.83Å; R16-D156 PolarHBondContact NE-OD2 2.74Å; R16-D156 IonicContact NH1-OD2 2.84Å; R16-D156 IonicContact NH2-OD1 3.99Å; R16-D156 PolarHBondContact NH2-OD1 3.3Å; R16-D156 IonicContact NH2-OD2 3.61Å; R16-D156 PolarHBondContact NH2-OD2 2.9Å; R16-D156 VanDerWaalsContact NH2-OD2 3.1Å; R16-D158 IonicContact CZ-OD2 3.44Å; R16-D158 IonicContact NH1-OD2 3.92Å; R16-D158 IonicContact NH2-OD2 2.62Å; R16-D158 PolarHBondContact NH2-OD2 3.41Å; R16-L159 HydrophobicContact CG-CD1 3.73Å |
| 17 | S | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -8 | 172.9 | 65.8 | 0 | 0 | 0 | 0 | 114.1 | G15 R23 G129 | G15-S17 PolarHBondContact O-N 2.88Å; S17-R23 WeakPolarHBondContact O-CG 3.44Å; S17-R23 PolarHBondContact O-NE 2.9Å; S17-G129 WeakPolarHBondContact CB-O 3.2Å; S17-G129 PolarHBondContact OG-O 3.39Å |
| 18 | R | 98.4 | Very high | 98.7 | Very high | 135 Ų | 135 | 62.1 Ų | 62.1 | 51% | 0.509 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -68.9 | -46.1 | -179.1 | -66.2 | 179.4 | 173.1 | -87.7 | -3.1 | 113.4 | G15 L20 R23 | G15-R18 VanDerWaalsContact O-CB 3.24Å; G15-R18 WeakPolarHBondContact O-CB 3.26Å; G15-R18 WeakPolarHBondContact O-CG 3.45Å; G15-R18 PolarHBondContact O-N 2.97Å; R18-L20 PolarHBondContact O-N 3.14Å; R18-R23 PolarHBondContact O-NE 3.19Å; R18-R23 PolarHBondContact O-NH2 3.02Å |
| 19 | P | 98.8 | Very high | 98.7 | Very high | 72 Ų | 72 | 62.3 Ų | 62.3 | 47% | 0.468 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -62.2 | 131.5 | -177.8 | -23.1 | 35 | 0 | 0 | 0 | 112 | G15 R16 R21 F22 R23 | G15-P19 WeakPolarHBondContact O-CD 3.25Å; R16-P19 WeakPolarHBondContact O-CD 3.21Å; P19-R21 PolarHBondContact O-N 2.8Å; P19-F22 PolarHBondContact O-N 2.91Å; P19-R23 PolarHBondContact O-N 3.23Å |
| 20 | L | 98.6 | Very high | 98.7 | Very high | 61 Ų | 61 | 60.7 Ų | 60.7 | 32% | 0.319 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -51.2 | -43.2 | 176.9 | 175.8 | 62.2 | 0 | 0 | 0 | 112.2 | R18 F22 R23 L24 L75 P76 | R18-L20 PolarHBondContact O-N 3.14Å; L20-F22 VanDerWaalsContact C-N 3.31Å; L20-F22 PolarHBondContact O-N 3.36Å; L20-R23 PolarHBondContact O-N 3.01Å; L20-R23 VanDerWaalsContact O-N 3.15Å; L20-L24 HydrophobicContact CD1-CD1 4.34Å; L20-L24 HydrophobicContact CD1-CG 4.3Å; L20-L24 HydrophobicContact CG-CD1 4.06Å; L20-L24 HydrophobicContact CG-CG 4.46Å; L20-L24 WeakPolarHBondContact O-CG 3.47Å; L20-L24 PolarHBondContact O-N 3.2Å; L20-L75 HydrophobicContact CD1-CB 4.33Å; L20-L75 HydrophobicContact CD1-CD2 3.74Å; L20-L75 HydrophobicContact CD1-CG 3.52Å; L20-P76 HydrophobicContact CD2-CB 3.98Å; L20-P76 HydrophobicContact CD2-CG 4.15Å |
| 21 | R | 98.8 | Very high | 98.7 | Very high | 192 Ų | 192 | 57.9 Ų | 57.9 | 73% | 0.725 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -55.9 | -42.9 | 178.5 | -178.3 | 178.3 | 177.7 | 170.7 | 2.5 | 112.8 | P19 R23 L24 Q25 | P19-R21 PolarHBondContact O-N 2.8Å; R21-R23 VanDerWaalsContact C-N 3.35Å; R21-L24 PolarHBondContact O-N 3.15Å; R21-Q25 VanDerWaalsContact O-CG 3.29Å; R21-Q25 WeakPolarHBondContact O-CG 3.49Å; R21-Q25 PolarHBondContact O-N 2.84Å |
| 22 | F | 98.9 | Very high | 98.7 | Very high | 35 Ų | 35 | 62.6 Ų | 62.6 | 15% | 0.154 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 179.5 | 179.9 | -90.4 | 0 | 0 | 0 | 110.8 | R16 P19 L20 L24 Q25 Q26 D156 L159 | R16-F22 HydrophobicContact CG-CZ 4.48Å; R16-F22 WeakPolarHBondContact O-CB 3.5Å; R16-F22 WeakPolarHBondContact O-CD1 3.44Å; R16-F22 WeakPolarHBondContact O-CG 3.28Å; P19-F22 PolarHBondContact O-N 2.91Å; L20-F22 VanDerWaalsContact C-N 3.31Å; L20-F22 PolarHBondContact O-N 3.36Å; F22-L24 PolarHBondContact O-N 3.42Å; F22-Q25 WeakPolarHBondContact O-CB 3.35Å; F22-Q25 PolarHBondContact O-N 2.84Å; F22-Q26 HydrophobicContact CD1-CG 3.99Å; F22-Q26 HydrophobicContact CE1-CG 3.56Å; F22-Q26 HydrophobicContact CZ-CG 3.88Å; F22-Q26 WeakPolarHBondContact O-CG 3.48Å; F22-Q26 PolarHBondContact O-N 2.81Å; F22-D156 HydrophobicContact CZ-CB 3.94Å; F22-L159 HydrophobicContact CE1-CD1 3.49Å; F22-L159 VanDerWaalsContact CE1-CD1 3.49Å; F22-L159 HydrophobicContact CZ-CD1 3.62Å |
| 23 | R | 98.9 | Very high | 98.7 | Very high | 22 Ų | 22 | 61.4 Ų | 61.4 | 8% | 0.083 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 178.8 | -52 | -176.3 | -160.4 | -177.8 | 3.7 | 111.7 | S17 R18 P19 L20 R21 Q25 Q26 L27 L75 A127 A128 | S17-R23 WeakPolarHBondContact O-CG 3.44Å; S17-R23 PolarHBondContact O-NE 2.9Å; R18-R23 PolarHBondContact O-NE 3.19Å; R18-R23 PolarHBondContact O-NH2 3.02Å; P19-R23 PolarHBondContact O-N 3.23Å; L20-R23 PolarHBondContact O-N 3.01Å; L20-R23 VanDerWaalsContact O-N 3.15Å; R21-R23 VanDerWaalsContact C-N 3.35Å; R23-Q25 VanDerWaalsContact C-N 3.34Å; R23-Q25 PolarHBondContact O-N 3.46Å; R23-Q26 PolarHBondContact O-N 3.13Å; R23-L27 WeakPolarHBondContact O-CG 3.07Å; R23-L27 PolarHBondContact O-N 3.46Å; R23-L75 HydrophobicContact CB-CD2 3.99Å; R23-A127 WeakPolarHBondContact CD-O 3.26Å; R23-A127 PolarHBondContact NH1-O 3.11Å; R23-A128 PolarHBondContact NH1-O 2.55Å |
| 24 | L | 98.9 | Very high | 98.7 | Very high | 38 Ų | 38 | 52.5 Ų | 52.5 | 20% | 0.199 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.6 | -43.8 | 175.5 | -67.3 | 171.3 | 0 | 0 | 0 | 111.7 | L20 R21 F22 Q26 L27 E28 L72 L75 | L20-L24 HydrophobicContact CD1-CD1 4.34Å; L20-L24 HydrophobicContact CD1-CG 4.3Å; L20-L24 HydrophobicContact CG-CD1 4.06Å; L20-L24 HydrophobicContact CG-CG 4.46Å; L20-L24 WeakPolarHBondContact O-CG 3.47Å; L20-L24 PolarHBondContact O-N 3.2Å; R21-L24 PolarHBondContact O-N 3.15Å; F22-L24 PolarHBondContact O-N 3.42Å; L24-Q26 VanDerWaalsContact C-N 3.32Å; L24-Q26 PolarHBondContact O-N 3.48Å; L24-L27 PolarHBondContact O-N 2.79Å; L24-E28 WeakPolarHBondContact O-CG 3.23Å; L24-E28 PolarHBondContact O-N 3.44Å; L24-L72 HydrophobicContact CB-CD2 4.47Å; L24-L72 HydrophobicContact CD2-CD2 3.79Å; L24-L75 HydrophobicContact CD2-CB 4.32Å; L24-L75 HydrophobicContact CD2-CD2 4.03Å; L24-L75 HydrophobicContact CG-CD2 4.44Å |
| 25 | Q | 98.9 | Very high | 98.7 | Very high | 83 Ų | 83 | 54 Ų | 54 | 39% | 0.388 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61 | -38.8 | 176.5 | -72.8 | 169.9 | -24.9 | 0 | 0 | 112.7 | R21 F22 R23 A29 | R21-Q25 VanDerWaalsContact O-CG 3.29Å; R21-Q25 WeakPolarHBondContact O-CG 3.49Å; R21-Q25 PolarHBondContact O-N 2.84Å; F22-Q25 WeakPolarHBondContact O-CB 3.35Å; F22-Q25 PolarHBondContact O-N 2.84Å; R23-Q25 VanDerWaalsContact C-N 3.34Å; R23-Q25 PolarHBondContact O-N 3.46Å; Q25-A29 VanDerWaalsContact O-CB 3.3Å; Q25-A29 WeakPolarHBondContact O-CB 3.37Å; Q25-A29 PolarHBondContact O-N 2.64Å |
| 26 | Q | 98.9 | Very high | 98.8 | Very high | 19 Ų | 19 | 58.3 Ų | 58.3 | 9% | 0.089 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.3 | -38.7 | 176.7 | -63.7 | -62.4 | -57.9 | 0 | 0 | 111.7 | F22 R23 L24 A29 L30 I126 L155 Y160 | F22-Q26 HydrophobicContact CD1-CG 3.99Å; F22-Q26 HydrophobicContact CE1-CG 3.56Å; F22-Q26 HydrophobicContact CZ-CG 3.88Å; F22-Q26 WeakPolarHBondContact O-CG 3.48Å; F22-Q26 PolarHBondContact O-N 2.81Å; R23-Q26 PolarHBondContact O-N 3.13Å; L24-Q26 VanDerWaalsContact C-N 3.32Å; L24-Q26 PolarHBondContact O-N 3.48Å; Q26-A29 PolarHBondContact O-N 3.22Å; Q26-L30 PolarHBondContact O-N 3.4Å; Q26-I126 HydrophobicContact CB-CG2 3.77Å; Q26-L155 HydrophobicContact CB-CD2 4.46Å; Q26-L155 VanDerWaalsContact O-CD2 3.27Å; Q26-L155 WeakPolarHBondContact O-CD2 3.33Å; Q26-Y160 HydrophobicContact CB-CE2 4.3Å; Q26-Y160 HydrophobicContact CG-CE2 3.84Å |
| 27 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.7 | -42 | 174.1 | -69.2 | 173.1 | 0 | 0 | 0 | 112 | R23 L24 A29 L30 R31 I68 M71 L72 L75 V123 I126 A127 | R23-L27 WeakPolarHBondContact O-CG 3.07Å; R23-L27 PolarHBondContact O-N 3.46Å; L24-L27 PolarHBondContact O-N 2.79Å; L27-A29 VanDerWaalsContact C-N 3.33Å; L27-A29 PolarHBondContact O-N 2.68Å; L27-L30 PolarHBondContact O-N 2.83Å; L27-R31 PolarHBondContact O-N 3.41Å; L27-I68 HydrophobicContact CB-CG2 4.44Å; L27-M71 HydrophobicContact CD1-CB 3.92Å; L27-L72 HydrophobicContact CB-CD2 3.7Å; L27-L72 HydrophobicContact CB-CG 4.21Å; L27-L72 HydrophobicContact CD1-CD2 4.26Å; L27-L75 HydrophobicContact CD1-CD2 4.08Å; L27-V123 HydrophobicContact CD2-CB 4.46Å; L27-V123 HydrophobicContact CD2-CG1 3.97Å; L27-I126 HydrophobicContact CD2-CB 4.16Å; L27-I126 HydrophobicContact CD2-CG2 3.9Å; L27-I126 HydrophobicContact CG-CG2 3.91Å; L27-A127 HydrophobicContact CD1-CB 4.35Å |
| 28 | E | 98.9 | Very high | 98.8 | Very high | 90 Ų | 90 | 59.6 Ų | 59.6 | 42% | 0.421 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 173.1 | -73.2 | 171.8 | 174.9 | 0 | 0 | 111.9 | L24 R31 R32 L72 | L24-E28 WeakPolarHBondContact O-CG 3.23Å; L24-E28 PolarHBondContact O-N 3.44Å; E28-R31 PolarHBondContact O-N 3.27Å; E28-R32 WeakPolarHBondContact O-CG 3.44Å; E28-R32 PolarHBondContact O-N 2.89Å; E28-L72 HydrophobicContact CG-CD1 4.27Å; E28-L72 HydrophobicContact CG-CD2 3.96Å |
| 29 | A | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 61 Ų | 61 | 3% | 0.033 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.8 | -39 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q25 Q26 L27 R32 M33 Y154 L155 | Q25-A29 VanDerWaalsContact O-CB 3.3Å; Q25-A29 WeakPolarHBondContact O-CB 3.37Å; Q25-A29 PolarHBondContact O-N 2.64Å; Q26-A29 PolarHBondContact O-N 3.22Å; L27-A29 VanDerWaalsContact C-N 3.33Å; L27-A29 PolarHBondContact O-N 2.68Å; A29-R32 PolarHBondContact O-N 3.19Å; A29-M33 PolarHBondContact O-N 3.25Å; A29-Y154 WeakPolarHBondContact CB-O 3.4Å; A29-Y154 WeakPolarHBondContact O-CD1 3.46Å; A29-L155 HydrophobicContact CB-CD2 4.02Å |
| 30 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 172.8 | -173.9 | 59.9 | 0 | 0 | 0 | 111.3 | Q26 L27 R32 M33 V34 I68 M119 V123 I126 L155 | Q26-L30 PolarHBondContact O-N 3.4Å; L27-L30 PolarHBondContact O-N 2.83Å; L30-R32 VanDerWaalsContact C-N 3.34Å; L30-R32 PolarHBondContact O-N 2.87Å; L30-M33 HydrophobicContact CD1-CE 3.52Å; L30-M33 HydrophobicContact CD1-SD 4.24Å; L30-M33 WeakPolarHBondContact O-CB 3.34Å; L30-M33 PolarHBondContact O-N 2.96Å; L30-V34 VanDerWaalsContact O-CG2 3.3Å; L30-V34 WeakPolarHBondContact O-CG2 3.31Å; L30-V34 PolarHBondContact O-N 3.27Å; L30-V34 VanDerWaalsContact O-N 3.07Å; L30-I68 HydrophobicContact CB-CD1 4.41Å; L30-I68 HydrophobicContact CD2-CD1 4.14Å; L30-I68 HydrophobicContact CD2-CG1 4.45Å; L30-I68 HydrophobicContact CG-CD1 3.96Å; L30-M119 HydrophobicContact CD1-SD 4.22Å; L30-V123 HydrophobicContact CD2-CG2 3.56Å; L30-I126 HydrophobicContact CD2-CD1 4.39Å; L30-L155 HydrophobicContact CB-CD2 4.19Å; L30-L155 HydrophobicContact CD1-CD1 4.49Å |
| 31 | R | 98.9 | Very high | 98.8 | Very high | 72 Ų | 72 | 58.2 Ų | 58.2 | 27% | 0.272 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.1 | -45.3 | 173.9 | -168.8 | 171.6 | 61.3 | -171.9 | -3.1 | 111.7 | L27 E28 M33 V34 Q35 L65 I68 D69 | L27-R31 PolarHBondContact O-N 3.41Å; E28-R31 PolarHBondContact O-N 3.27Å; R31-M33 PolarHBondContact O-N 3.03Å; R31-V34 PolarHBondContact O-N 3.34Å; R31-Q35 WeakPolarHBondContact O-CG 3.44Å; R31-Q35 PolarHBondContact O-N 2.91Å; R31-L65 HydrophobicContact CG-CD2 3.99Å; R31-I68 HydrophobicContact CB-CD1 4.38Å; R31-I68 HydrophobicContact CB-CG2 3.97Å; R31-I68 HydrophobicContact CG-CG2 4.49Å; R31-D69 WeakPolarHBondContact CD-OD1 3.38Å; R31-D69 IonicContact CZ-OD1 3.06Å; R31-D69 IonicContact NH1-OD1 3.1Å; R31-D69 PolarHBondContact NH1-OD1 3.09Å |
| 32 | R | 98.9 | Very high | 98.8 | Very high | 108 Ų | 108 | 49.4 Ų | 49.4 | 41% | 0.408 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.3 | -43 | 175.1 | -77.2 | -170.2 | -57.4 | 102.3 | 1.1 | 112.2 | E28 A29 L30 V34 Q35 E36 Y154 | E28-R32 WeakPolarHBondContact O-CG 3.44Å; E28-R32 PolarHBondContact O-N 2.89Å; A29-R32 PolarHBondContact O-N 3.19Å; L30-R32 VanDerWaalsContact C-N 3.34Å; L30-R32 PolarHBondContact O-N 2.87Å; R32-V34 VanDerWaalsContact C-N 3.32Å; R32-V34 PolarHBondContact O-N 3.1Å; R32-Q35 PolarHBondContact O-N 3.26Å; R32-E36 WeakPolarHBondContact CB-OE1 3.25Å; R32-E36 IonicContact NH1-OE1 3.53Å; R32-E36 VanDerWaalsContact O-CB 3.24Å; R32-E36 WeakPolarHBondContact O-CB 3.46Å; R32-E36 VanDerWaalsContact O-CG 3.26Å; R32-E36 WeakPolarHBondContact O-CG 3.18Å; R32-E36 PolarHBondContact O-N 2.78Å; R32-Y154 HydrophobicContact CB-CD1 4.3Å; R32-Y154 HydrophobicContact CB-CE1 4.23Å |
| 33 | M | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.1 | -48.9 | 174.7 | -174.3 | -170.3 | 81.8 | 0 | 0 | 111.3 | A29 L30 R31 Q35 R37 F115 M119 L150 Y154 | A29-M33 PolarHBondContact O-N 3.25Å; L30-M33 HydrophobicContact CD1-CE 3.52Å; L30-M33 HydrophobicContact CD1-SD 4.24Å; L30-M33 WeakPolarHBondContact O-CB 3.34Å; L30-M33 PolarHBondContact O-N 2.96Å; R31-M33 PolarHBondContact O-N 3.03Å; M33-Q35 PolarHBondContact O-N 2.97Å; M33-R37 VanDerWaalsContact O-CB 3.32Å; M33-R37 WeakPolarHBondContact O-CB 3.3Å; M33-R37 PolarHBondContact O-N 2.88Å; M33-F115 HydrophobicContact CE-CE2 4.44Å; M33-F115 HydrophobicContact CE-CZ 4.44Å; M33-M119 HydrophobicContact CE-SD 4.37Å; M33-L150 HydrophobicContact CG-CB 4.09Å; M33-L150 HydrophobicContact CG-CD1 4.41Å; M33-L150 HydrophobicContact SD-CB 3.86Å; M33-Y154 HydrophobicContact CB-CD1 3.74Å; M33-Y154 HydrophobicContact CB-CD2 3.65Å; M33-Y154 HydrophobicContact CB-CE1 4.09Å; M33-Y154 HydrophobicContact CB-CE2 4.02Å; M33-Y154 HydrophobicContact CB-CG 3.52Å; M33-Y154 HydrophobicContact CG-CD2 3.5Å; M33-Y154 HydrophobicContact CG-CE2 3.79Å; M33-Y154 HydrophobicContact CG-CG 3.92Å; M33-Y154 HydrophobicContact SD-CD2 4.29Å |
| 34 | V | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.9 | -43.9 | -179.8 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | L30 R31 R32 E38 V61 I64 L65 I68 F115 | L30-V34 VanDerWaalsContact O-CG2 3.3Å; L30-V34 WeakPolarHBondContact O-CG2 3.31Å; L30-V34 PolarHBondContact O-N 3.27Å; L30-V34 VanDerWaalsContact O-N 3.07Å; R31-V34 PolarHBondContact O-N 3.34Å; R32-V34 VanDerWaalsContact C-N 3.32Å; R32-V34 PolarHBondContact O-N 3.1Å; V34-E38 VanDerWaalsContact O-CA 3.26Å; V34-E38 WeakPolarHBondContact O-CA 3.49Å; V34-E38 WeakPolarHBondContact O-CB 3.36Å; V34-E38 PolarHBondContact O-N 3.37Å; V34-E38 VanDerWaalsContact O-N 3.16Å; V34-V61 HydrophobicContact CG1-CG1 3.74Å; V34-I64 HydrophobicContact CG2-CG2 4.06Å; V34-L65 HydrophobicContact CB-CD2 4Å; V34-L65 HydrophobicContact CG1-CD1 4.42Å; V34-L65 HydrophobicContact CG1-CD2 3.68Å; V34-L65 HydrophobicContact CG1-CG 3.96Å; V34-I68 HydrophobicContact CG2-CD1 4.49Å; V34-F115 HydrophobicContact CG2-CE1 4.3Å; V34-F115 HydrophobicContact CG2-CZ 3.96Å |
| 35 | Q | 98.6 | Very high | 98.8 | Very high | 106 Ų | 106 | 47.8 Ų | 47.8 | 50% | 0.495 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -73.7 | -45.7 | -177.2 | -70.5 | 173.3 | -32.4 | 0 | 0 | 113.1 | R31 R32 M33 L65 | R31-Q35 WeakPolarHBondContact O-CG 3.44Å; R31-Q35 PolarHBondContact O-N 2.91Å; R32-Q35 PolarHBondContact O-N 3.26Å; M33-Q35 PolarHBondContact O-N 2.97Å; Q35-L65 HydrophobicContact CG-CD2 4.27Å |
| 36 | E | 98.8 | Very high | 98.8 | Very high | 108 Ų | 108 | 45 Ų | 45 | 51% | 0.505 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -73.6 | -32.4 | -176.1 | -67.3 | 170.1 | -159 | 0 | 0 | 111.8 | R32 Y154 | R32-E36 WeakPolarHBondContact CB-OE1 3.25Å; R32-E36 IonicContact NH1-OE1 3.53Å; R32-E36 VanDerWaalsContact O-CB 3.24Å; R32-E36 WeakPolarHBondContact O-CB 3.46Å; R32-E36 VanDerWaalsContact O-CG 3.26Å; R32-E36 WeakPolarHBondContact O-CG 3.18Å; R32-E36 PolarHBondContact O-N 2.78Å; E36-Y154 WeakPolarHBondContact OE2-CE1 3.47Å; E36-Y154 PolarHBondContact OE2-OH 3.42Å |
| 37 | R | 98.7 | Very high | 98.8 | Very high | 45 Ų | 45 | 46.7 Ų | 46.7 | 17% | 0.17 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 19.8 | -175.2 | -47 | -59.3 | -71.1 | -92.5 | -3.4 | 112.9 | M33 K39 E40 I41 E149 L150 Y154 | M33-R37 VanDerWaalsContact O-CB 3.32Å; M33-R37 WeakPolarHBondContact O-CB 3.3Å; M33-R37 PolarHBondContact O-N 2.88Å; R37-K39 VanDerWaalsContact C-N 3.33Å; R37-K39 PolarHBondContact O-N 2.77Å; R37-E40 IonicContact CZ-OE1 2.65Å; R37-E40 IonicContact CZ-OE2 2.6Å; R37-E40 IonicContact NE-OE1 3.97Å; R37-E40 PolarHBondContact NE-OE1 2.64Å; R37-E40 IonicContact NE-OE2 3.62Å; R37-E40 PolarHBondContact NE-OE2 2.87Å; R37-E40 IonicContact NH2-OE1 3.48Å; R37-E40 IonicContact NH2-OE2 3.54Å; R37-E40 PolarHBondContact NH2-OE2 2.76Å; R37-E40 PolarHBondContact O-N 3.05Å; R37-E40 VanDerWaalsContact O-N 3.11Å; R37-I41 HydrophobicContact CB-CD1 4.47Å; R37-I41 WeakPolarHBondContact O-CG1 3.47Å; R37-I41 PolarHBondContact O-N 2.89Å; R37-I41 VanDerWaalsContact O-N 3.09Å; R37-E149 IonicContact NH2-OE1 2.64Å; R37-L150 HydrophobicContact CB-CD1 3.64Å; R37-L150 HydrophobicContact CB-CD2 4.3Å; R37-L150 HydrophobicContact CG-CD1 4.07Å; R37-L150 HydrophobicContact CG-CD2 3.92Å; R37-Y154 HydrophobicContact CG-CE2 4.09Å; R37-Y154 WeakPolarHBondContact CG-OH 3.44Å |
| 38 | E | 98.7 | Very high | 98.8 | Very high | 61 Ų | 61 | 47.3 Ų | 47.3 | 29% | 0.285 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -49.7 | -50.7 | -176.9 | -175.2 | -175.9 | 105.2 | 0 | 0 | 112.1 | V34 E40 I41 L42 Y57 | V34-E38 VanDerWaalsContact O-CA 3.26Å; V34-E38 WeakPolarHBondContact O-CA 3.49Å; V34-E38 WeakPolarHBondContact O-CB 3.36Å; V34-E38 PolarHBondContact O-N 3.37Å; V34-E38 VanDerWaalsContact O-N 3.16Å; E38-E40 VanDerWaalsContact C-N 3.29Å; E38-E40 PolarHBondContact O-N 3.01Å; E38-I41 PolarHBondContact O-N 3.11Å; E38-L42 HydrophobicContact CG-CD1 3.85Å; E38-L42 HydrophobicContact CG-CG 4.27Å; E38-L42 WeakPolarHBondContact O-CB 3.42Å; E38-L42 VanDerWaalsContact O-CG 3.28Å; E38-L42 WeakPolarHBondContact O-CG 3.4Å; E38-L42 PolarHBondContact O-N 3Å; E38-Y57 HydrophobicContact CG-CD2 4.31Å; E38-Y57 HydrophobicContact CG-CE2 4.28Å; E38-Y57 VanDerWaalsContact OE2-CE2 3.3Å; E38-Y57 WeakPolarHBondContact OE2-CE2 3.45Å |
| 39 | K | 98.6 | Very high | 98.7 | Very high | 164 Ų | 164 | 43 Ų | 43 | 71% | 0.713 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -58.5 | -39.7 | -178 | -68.7 | -172.9 | 176.2 | -176.2 | 0 | 113 | R37 A43 | R37-K39 VanDerWaalsContact C-N 3.33Å; R37-K39 PolarHBondContact O-N 2.77Å; K39-A43 VanDerWaalsContact O-CB 3.28Å; K39-A43 WeakPolarHBondContact O-CB 3.48Å; K39-A43 PolarHBondContact O-N 3.42Å |
| 40 | E | 98.8 | Very high | 98.7 | Very high | 74 Ų | 74 | 45.3 Ų | 45.3 | 35% | 0.346 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -74.1 | -37.6 | -178.3 | -63.5 | 155.6 | -135.1 | 0 | 0 | 111.2 | R37 E38 A44 I146 | R37-E40 IonicContact CZ-OE1 2.65Å; R37-E40 IonicContact CZ-OE2 2.6Å; R37-E40 IonicContact NE-OE1 3.97Å; R37-E40 PolarHBondContact NE-OE1 2.64Å; R37-E40 IonicContact NE-OE2 3.62Å; R37-E40 PolarHBondContact NE-OE2 2.87Å; R37-E40 IonicContact NH2-OE1 3.48Å; R37-E40 IonicContact NH2-OE2 3.54Å; R37-E40 PolarHBondContact NH2-OE2 2.76Å; R37-E40 PolarHBondContact O-N 3.05Å; R37-E40 VanDerWaalsContact O-N 3.11Å; E38-E40 VanDerWaalsContact C-N 3.29Å; E38-E40 PolarHBondContact O-N 3.01Å; E40-A44 WeakPolarHBondContact O-CB 3.37Å; E40-A44 PolarHBondContact O-N 2.9Å; E40-I146 HydrophobicContact CB-CD1 4.18Å; E40-I146 HydrophobicContact CB-CG1 4.41Å |
| 41 | I | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.3 | -49.3 | 173.2 | -66.9 | 164.1 | 0 | 0 | 0 | 109.9 | R37 E38 A43 A44 I45 F115 L150 | R37-I41 HydrophobicContact CB-CD1 4.47Å; R37-I41 WeakPolarHBondContact O-CG1 3.47Å; R37-I41 PolarHBondContact O-N 2.89Å; R37-I41 VanDerWaalsContact O-N 3.09Å; E38-I41 PolarHBondContact O-N 3.11Å; I41-A43 PolarHBondContact O-N 3.37Å; I41-A44 PolarHBondContact O-N 3.41Å; I41-I45 HydrophobicContact CG2-CD1 3.86Å; I41-I45 WeakPolarHBondContact O-CG1 3.32Å; I41-I45 PolarHBondContact O-N 3.01Å; I41-I45 VanDerWaalsContact O-N 3.08Å; I41-F115 HydrophobicContact CD1-CE2 4.09Å; I41-F115 HydrophobicContact CD1-CZ 3.94Å; I41-F115 HydrophobicContact CG1-CE2 4.32Å; I41-F115 HydrophobicContact CG2-CD1 4.24Å; I41-F115 HydrophobicContact CG2-CD2 3.88Å; I41-F115 HydrophobicContact CG2-CE1 4.24Å; I41-F115 HydrophobicContact CG2-CE2 3.89Å; I41-F115 HydrophobicContact CG2-CG 4.07Å; I41-F115 HydrophobicContact CG2-CZ 4.07Å; I41-L150 HydrophobicContact CD1-CD1 4.35Å; I41-L150 HydrophobicContact CG1-CD1 4.06Å |
| 42 | L | 98.8 | Very high | 98.6 | Very high | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.7 | -43.9 | 178.9 | -67.6 | 176.1 | 0 | 0 | 0 | 111.7 | E38 A44 I45 A46 E53 A56 Y57 V61 | E38-L42 HydrophobicContact CG-CD1 3.85Å; E38-L42 HydrophobicContact CG-CG 4.27Å; E38-L42 WeakPolarHBondContact O-CB 3.42Å; E38-L42 VanDerWaalsContact O-CG 3.28Å; E38-L42 WeakPolarHBondContact O-CG 3.4Å; E38-L42 PolarHBondContact O-N 3Å; L42-A44 VanDerWaalsContact C-N 3.33Å; L42-A44 PolarHBondContact O-N 3.29Å; L42-I45 PolarHBondContact O-N 3.04Å; L42-A46 VanDerWaalsContact O-CB 3.24Å; L42-A46 WeakPolarHBondContact O-CB 3.44Å; L42-A46 PolarHBondContact O-N 3.5Å; L42-E53 HydrophobicContact CB-CG 4.33Å; L42-E53 HydrophobicContact CD1-CB 4.37Å; L42-A56 HydrophobicContact CD2-CB 3.67Å; L42-Y57 HydrophobicContact CD1-CD2 4.31Å; L42-V61 HydrophobicContact CD2-CG2 3.71Å; L42-V61 HydrophobicContact CG-CG2 4.48Å |
| 43 | A | 98.8 | Very high | 98.5 | Very high | 50 Ų | 50 | 43.4 Ų | 43.4 | 41% | 0.413 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.5 | -39.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K39 I41 A46 A47 | K39-A43 VanDerWaalsContact O-CB 3.28Å; K39-A43 WeakPolarHBondContact O-CB 3.48Å; K39-A43 PolarHBondContact O-N 3.42Å; I41-A43 PolarHBondContact O-N 3.37Å; A43-A46 PolarHBondContact O-N 3.03Å; A43-A47 WeakPolarHBondContact O-CB 3.49Å; A43-A47 PolarHBondContact O-N 2.56Å |
| 44 | A | 98.8 | Very high | 98.5 | Very high | 11 Ų | 11 | 49.5 Ų | 49.5 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.3 | -46.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | E40 I41 L42 A46 A47 D48 N142 I146 | E40-A44 WeakPolarHBondContact O-CB 3.37Å; E40-A44 PolarHBondContact O-N 2.9Å; I41-A44 PolarHBondContact O-N 3.41Å; L42-A44 VanDerWaalsContact C-N 3.33Å; L42-A44 PolarHBondContact O-N 3.29Å; A44-A46 VanDerWaalsContact C-N 3.33Å; A44-A46 PolarHBondContact O-N 3.25Å; A44-A47 PolarHBondContact O-N 3.23Å; A44-D48 PolarHBondContact O-N 2.83Å; A44-D48 VanDerWaalsContact O-N 3.11Å; A44-N142 HydrophobicContact CB-CB 4.02Å; A44-I146 HydrophobicContact CB-CB 4.31Å; A44-I146 HydrophobicContact CB-CG2 3.69Å |
| 45 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 176.5 | -63.1 | 164.5 | 0 | 0 | 0 | 110.4 | I41 L42 A47 D48 L49 K51 A56 E60 F115 | I41-I45 HydrophobicContact CG2-CD1 3.86Å; I41-I45 WeakPolarHBondContact O-CG1 3.32Å; I41-I45 PolarHBondContact O-N 3.01Å; I41-I45 VanDerWaalsContact O-N 3.08Å; L42-I45 PolarHBondContact O-N 3.04Å; I45-A47 VanDerWaalsContact C-N 3.33Å; I45-A47 PolarHBondContact O-N 3.44Å; I45-D48 PolarHBondContact O-N 2.94Å; I45-L49 HydrophobicContact CG2-CD1 4.2Å; I45-L49 PolarHBondContact O-N 2.95Å; I45-K51 HydrophobicContact CG2-CD 4.25Å; I45-A56 HydrophobicContact CB-CB 4.27Å; I45-A56 HydrophobicContact CG2-CB 3.85Å; I45-E60 HydrophobicContact CD1-CB 4.42Å; I45-E60 WeakPolarHBondContact CG2-OE1 3.32Å; I45-F115 HydrophobicContact CD1-CB 3.81Å; I45-F115 HydrophobicContact CD1-CG 4.37Å; I45-F115 HydrophobicContact CG1-CB 4.4Å |
| 46 | A | 98.4 | Very high | 98.4 | Very high | 24 Ų | 24 | 45.7 Ų | 45.7 | 20% | 0.198 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L42 A43 A44 D48 S50 K51 | L42-A46 VanDerWaalsContact O-CB 3.24Å; L42-A46 WeakPolarHBondContact O-CB 3.44Å; L42-A46 PolarHBondContact O-N 3.5Å; A43-A46 PolarHBondContact O-N 3.03Å; A44-A46 VanDerWaalsContact C-N 3.33Å; A44-A46 PolarHBondContact O-N 3.25Å; A46-D48 PolarHBondContact O-N 2.82Å; A46-S50 WeakPolarHBondContact O-CA 3.35Å; A46-S50 PolarHBondContact O-N 2.99Å; A46-K51 VanDerWaalsContact CA-O 3.31Å; A46-K51 WeakPolarHBondContact CA-O 3.36Å; A46-K51 WeakPolarHBondContact CB-O 3.38Å |
| 47 | A | 98.6 | Very high | 98.4 | Very high | 55 Ų | 55 | 44.3 Ų | 44.3 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.9 | -37.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A43 A44 I45 N142 | A43-A47 WeakPolarHBondContact O-CB 3.49Å; A43-A47 PolarHBondContact O-N 2.56Å; A44-A47 PolarHBondContact O-N 3.23Å; I45-A47 VanDerWaalsContact C-N 3.33Å; I45-A47 PolarHBondContact O-N 3.44Å; A47-N142 HydrophobicContact CB-CB 4.22Å |
| 48 | D | 98.8 | Very high | 98.3 | Very high | 12 Ų | 12 | 45 Ų | 45 | 6% | 0.064 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -73.3 | -42.7 | -179.7 | -70 | -31 | 0 | 0 | 0 | 112.4 | A44 I45 A46 S140 E141 N142 T143 | A44-D48 PolarHBondContact O-N 2.83Å; A44-D48 VanDerWaalsContact O-N 3.11Å; I45-D48 PolarHBondContact O-N 2.94Å; A46-D48 PolarHBondContact O-N 2.82Å; D48-S140 VanDerWaalsContact CG-C 3.48Å; D48-S140 VanDerWaalsContact CG-CA 3.49Å; D48-S140 WeakPolarHBondContact OD2-CA 3.44Å; D48-S140 WeakPolarHBondContact OD2-CB 3.49Å; D48-E141 PolarHBondContact OD1-N 2.92Å; D48-N142 WeakPolarHBondContact OD1-CB 3.28Å; D48-N142 PolarHBondContact OD1-N 3.44Å; D48-N142 PolarHBondContact OD1-ND2 3.09Å; D48-N142 PolarHBondContact OD2-N 3.28Å; D48-T143 VanDerWaalsContact OD2-CB 3.31Å; D48-T143 WeakPolarHBondContact OD2-CB 3.41Å; D48-T143 PolarHBondContact OD2-N 3.17Å; D48-T143 PolarHBondContact OD2-OG1 3.49Å |
| 49 | L | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -109.8 | -3.9 | -169.1 | -64.5 | 172.2 | 0 | 0 | 0 | 114.3 | I45 K51 N112 E280 R281 I283 | I45-L49 HydrophobicContact CG2-CD1 4.2Å; I45-L49 PolarHBondContact O-N 2.95Å; L49-K51 HydrophobicContact CB-CB 4.03Å; L49-K51 PolarHBondContact O-N 3.13Å; L49-N112 VanDerWaalsContact CD1-O 3.28Å; L49-N112 WeakPolarHBondContact CD1-O 3.25Å; L49-E280 WeakPolarHBondContact O-CB 3.25Å; L49-R281 PolarHBondContact O-N 3.38Å; L49-R281 VanDerWaalsContact O-N 3.16Å; L49-I283 HydrophobicContact CD2-CD1 3.87Å |
| 50 | S | 98.1 | Very high | 98.1 | Very high | 51 Ų | 51 | 36.2 Ų | 36.2 | 36% | 0.357 | 21% | 0.21 | S | C | . | . | trans | 53.1 | 40 | -167.2 | -51.5 | 0 | 0 | 0 | 0 | 111.8 | A46 | A46-S50 WeakPolarHBondContact O-CA 3.35Å; A46-S50 PolarHBondContact O-N 2.99Å | ||
| 51 | K | 97.4 | Very high | 98.1 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 2% | 0.022 | 19% | 0.193 | C | C | . | . | trans | -95.7 | 136.9 | -177 | -172.5 | 179.2 | -63.3 | 175.2 | 0 | 109.7 | I45 A46 L49 N55 A56 E60 N236 E280 | I45-K51 HydrophobicContact CG2-CD 4.25Å; A46-K51 VanDerWaalsContact CA-O 3.31Å; A46-K51 WeakPolarHBondContact CA-O 3.36Å; A46-K51 WeakPolarHBondContact CB-O 3.38Å; L49-K51 HydrophobicContact CB-CB 4.03Å; L49-K51 PolarHBondContact O-N 3.13Å; K51-N55 HydrophobicContact CD-CB 4.15Å; K51-N55 HydrophobicContact CG-CB 3.66Å; K51-A56 HydrophobicContact CD-CB 3.92Å; K51-A56 HydrophobicContact CG-CB 4.24Å; K51-E60 IonicContact NZ-OE1 3.28Å; K51-E60 PolarHBondContact NZ-OE1 3.25Å; K51-N236 WeakPolarHBondContact CE-OD1 3.17Å; K51-N236 PolarHBondContact NZ-OD1 2.98Å; K51-E280 HydrophobicContact CB-CG 3.85Å; K51-E280 HydrophobicContact CG-CG 3.99Å | ||
| 52 | S | 97.9 | Very high | 98.1 | Very high | 22 Ų | 22 | 36.6 Ų | 36.6 | 15% | 0.154 | 21% | 0.213 | C | C | . | . | trans | -62 | 151.9 | 173.6 | 68.1 | 0 | 0 | 0 | 0 | 111 | L54 N55 A56 P277 | S52-L54 PolarHBondContact O-N 3.35Å; S52-N55 PolarHBondContact O-N 2.97Å; S52-N55 WeakPolarHBondContact OG-CB 3.41Å; S52-N55 PolarHBondContact OG-N 2.98Å; S52-N55 VanDerWaalsContact OG-N 3.15Å; S52-A56 WeakPolarHBondContact O-CB 3.44Å; S52-A56 PolarHBondContact O-N 3.22Å; S52-P277 WeakPolarHBondContact CB-O 3.36Å | ||
| 53 | E | 97.4 | Very high | 98 | Very high | 114 Ų | 114 | 37.9 Ų | 37.9 | 53% | 0.533 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.2 | -38.2 | 175.2 | -67.4 | -176 | 178.8 | 0 | 0 | 111.5 | L42 A56 Y57 | L42-E53 HydrophobicContact CB-CG 4.33Å; L42-E53 HydrophobicContact CD1-CB 4.37Å; E53-A56 PolarHBondContact O-N 3.47Å; E53-Y57 VanDerWaalsContact O-CB 3.24Å; E53-Y57 WeakPolarHBondContact O-CB 3.26Å; E53-Y57 PolarHBondContact O-N 2.96Å |
| 54 | L | 97.9 | Very high | 98 | Very high | 128 Ų | 128 | 35.5 Ų | 35.5 | 67% | 0.67 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -64 | -43.7 | 177.8 | -64.1 | 178 | 0 | 0 | 0 | 112.3 | S52 S58 | S52-L54 PolarHBondContact O-N 3.35Å; L54-S58 WeakPolarHBondContact O-CB 3.14Å; L54-S58 PolarHBondContact O-N 3.08Å; L54-S58 PolarHBondContact O-OG 2.96Å |
| 55 | N | 97.8 | Very high | 98 | Very high | 26 Ų | 26 | 36.1 Ų | 36.1 | 14% | 0.139 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.1 | -43.3 | 175.8 | -78.9 | -5.2 | 0 | 0 | 0 | 111.3 | K51 S52 Y57 S58 H59 D278 E280 | K51-N55 HydrophobicContact CD-CB 4.15Å; K51-N55 HydrophobicContact CG-CB 3.66Å; S52-N55 PolarHBondContact O-N 2.97Å; S52-N55 WeakPolarHBondContact OG-CB 3.41Å; S52-N55 PolarHBondContact OG-N 2.98Å; S52-N55 VanDerWaalsContact OG-N 3.15Å; N55-Y57 VanDerWaalsContact C-N 3.31Å; N55-Y57 PolarHBondContact O-N 3.4Å; N55-S58 PolarHBondContact O-N 3.3Å; N55-H59 VanDerWaalsContact O-CB 3.24Å; N55-H59 WeakPolarHBondContact O-CB 3.42Å; N55-H59 PolarHBondContact O-N 3.15Å; N55-H59 PolarHBondContact O-ND1 2.61Å; N55-D278 PolarHBondContact ND2-O 2.63Å; N55-E280 PolarHBondContact ND2-OE1 2.85Å |
| 56 | A | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.8 | -41.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L42 I45 K51 S52 E53 E60 V61 | L42-A56 HydrophobicContact CD2-CB 3.67Å; I45-A56 HydrophobicContact CB-CB 4.27Å; I45-A56 HydrophobicContact CG2-CB 3.85Å; K51-A56 HydrophobicContact CD-CB 3.92Å; K51-A56 HydrophobicContact CG-CB 4.24Å; S52-A56 WeakPolarHBondContact O-CB 3.44Å; S52-A56 PolarHBondContact O-N 3.22Å; E53-A56 PolarHBondContact O-N 3.47Å; A56-E60 WeakPolarHBondContact O-CA 3.44Å; A56-E60 VanDerWaalsContact O-CB 3.32Å; A56-E60 WeakPolarHBondContact O-CB 3.28Å; A56-E60 PolarHBondContact O-N 2.93Å; A56-V61 PolarHBondContact O-N 2.91Å |
| 57 | Y | 98.6 | Very high | 98 | Very high | 78 Ų | 78 | 36.5 Ų | 36.5 | 31% | 0.306 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -62.9 | -52 | 176.1 | -172.7 | -93.2 | 0 | 0 | 0 | 111.6 | E38 L42 E53 N55 H59 V61 I62 | E38-Y57 HydrophobicContact CG-CD2 4.31Å; E38-Y57 HydrophobicContact CG-CE2 4.28Å; E38-Y57 VanDerWaalsContact OE2-CE2 3.3Å; E38-Y57 WeakPolarHBondContact OE2-CE2 3.45Å; L42-Y57 HydrophobicContact CD1-CD2 4.31Å; E53-Y57 VanDerWaalsContact O-CB 3.24Å; E53-Y57 WeakPolarHBondContact O-CB 3.26Å; E53-Y57 PolarHBondContact O-N 2.96Å; N55-Y57 VanDerWaalsContact C-N 3.31Å; N55-Y57 PolarHBondContact O-N 3.4Å; Y57-H59 PolarHBondContact O-N 3.41Å; Y57-V61 HydrophobicContact CD2-CB 3.79Å; Y57-V61 HydrophobicContact CD2-CG1 3.81Å; Y57-V61 HydrophobicContact CD2-CG2 4.21Å; Y57-V61 HydrophobicContact CE2-CB 4.13Å; Y57-V61 HydrophobicContact CE2-CG1 3.66Å; Y57-V61 HydrophobicContact CG-CB 4.29Å; Y57-V61 WeakPolarHBondContact O-CB 3.48Å; Y57-V61 PolarHBondContact O-N 3.25Å; Y57-I62 HydrophobicContact CD1-CD1 3.86Å; Y57-I62 HydrophobicContact CD1-CG1 3.76Å; Y57-I62 HydrophobicContact CE1-CD1 3.68Å; Y57-I62 HydrophobicContact CE1-CG1 3.47Å; Y57-I62 VanDerWaalsContact CE1-CG1 3.47Å; Y57-I62 PolarHBondContact O-N 3.1Å |
| 58 | S | 96.8 | Very high | 98 | Very high | 61 Ų | 61 | 33.9 Ų | 33.9 | 43% | 0.427 | 19% | 0.188 | S | C | . | . | I | π-helix | trans | -67.5 | -39.2 | -174.7 | -56.4 | 0 | 0 | 0 | 0 | 112.9 | L54 N55 | L54-S58 WeakPolarHBondContact O-CB 3.14Å; L54-S58 PolarHBondContact O-N 3.08Å; L54-S58 PolarHBondContact O-OG 2.96Å; N55-S58 PolarHBondContact O-N 3.3Å |
| 59 | H | 95.3 | Very high | 98 | Very high | 39 Ų | 39 | 37.1 Ų | 37.1 | 18% | 0.181 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -87.8 | -25.8 | -176.3 | -58.3 | 152.5 | 0 | 0 | 0 | 113.6 | N55 Y57 T63 Y113 M235 | N55-H59 VanDerWaalsContact O-CB 3.24Å; N55-H59 WeakPolarHBondContact O-CB 3.42Å; N55-H59 PolarHBondContact O-N 3.15Å; N55-H59 PolarHBondContact O-ND1 2.61Å; Y57-H59 PolarHBondContact O-N 3.41Å; H59-T63 PolarHBondContact O-OG1 3.45Å; H59-Y113 HydrophobicContact CB-CE1 4.23Å; H59-M235 WeakPolarHBondContact NE2-CE 3.43Å |
| 60 | E | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -121.4 | -50.9 | -172.6 | -59.6 | -168 | -125.2 | 0 | 0 | 113.7 | I45 K51 A56 I64 Y113 P114 F115 V116 | I45-E60 HydrophobicContact CD1-CB 4.42Å; I45-E60 WeakPolarHBondContact CG2-OE1 3.32Å; K51-E60 IonicContact NZ-OE1 3.28Å; K51-E60 PolarHBondContact NZ-OE1 3.25Å; A56-E60 WeakPolarHBondContact O-CA 3.44Å; A56-E60 VanDerWaalsContact O-CB 3.32Å; A56-E60 WeakPolarHBondContact O-CB 3.28Å; A56-E60 PolarHBondContact O-N 2.93Å; E60-I64 WeakPolarHBondContact O-CG1 3.4Å; E60-I64 PolarHBondContact O-N 3.15Å; E60-Y113 HydrophobicContact CG-CD1 3.84Å; E60-Y113 WeakPolarHBondContact OE2-CA 3.36Å; E60-P114 WeakPolarHBondContact OE2-CD 3.4Å; E60-F115 PolarHBondContact OE2-N 3.17Å; E60-V116 HydrophobicContact CB-CG2 3.61Å; E60-V116 HydrophobicContact CG-CG2 3.72Å |
| 61 | V | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -69.7 | -47.3 | -175 | 178.5 | 0 | 0 | 0 | 0 | 111.7 | V34 L42 A56 Y57 T63 I64 L65 | V34-V61 HydrophobicContact CG1-CG1 3.74Å; L42-V61 HydrophobicContact CD2-CG2 3.71Å; L42-V61 HydrophobicContact CG-CG2 4.48Å; A56-V61 PolarHBondContact O-N 2.91Å; Y57-V61 HydrophobicContact CD2-CB 3.79Å; Y57-V61 HydrophobicContact CD2-CG1 3.81Å; Y57-V61 HydrophobicContact CD2-CG2 4.21Å; Y57-V61 HydrophobicContact CE2-CB 4.13Å; Y57-V61 HydrophobicContact CE2-CG1 3.66Å; Y57-V61 HydrophobicContact CG-CB 4.29Å; Y57-V61 WeakPolarHBondContact O-CB 3.48Å; Y57-V61 PolarHBondContact O-N 3.25Å; V61-T63 VanDerWaalsContact C-N 3.28Å; V61-T63 PolarHBondContact O-N 3.09Å; V61-I64 PolarHBondContact O-N 2.87Å; V61-L65 HydrophobicContact CG1-CD1 3.91Å; V61-L65 HydrophobicContact CG1-CG 4.31Å; V61-L65 WeakPolarHBondContact O-CG 3.43Å; V61-L65 PolarHBondContact O-N 3.34Å |
| 62 | I | 98.1 | Very high | 98.1 | Very high | 84 Ų | 84 | 38 Ų | 38 | 43% | 0.431 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.4 | -42.4 | 178.5 | -67.4 | -178 | 0 | 0 | 0 | 110.9 | Y57 I64 L65 G66 | Y57-I62 HydrophobicContact CD1-CD1 3.86Å; Y57-I62 HydrophobicContact CD1-CG1 3.76Å; Y57-I62 HydrophobicContact CE1-CD1 3.68Å; Y57-I62 HydrophobicContact CE1-CG1 3.47Å; Y57-I62 VanDerWaalsContact CE1-CG1 3.47Å; Y57-I62 PolarHBondContact O-N 3.1Å; I62-I64 VanDerWaalsContact C-N 3.35Å; I62-I64 PolarHBondContact O-N 3.41Å; I62-L65 PolarHBondContact O-N 2.95Å; I62-G66 PolarHBondContact O-N 2.89Å |
| 63 | T | 97.3 | Very high | 98.1 | Very high | 34 Ų | 34 | 39.8 Ų | 39.8 | 21% | 0.209 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 178.3 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | H59 V61 G66 E67 V116 F392 | H59-T63 PolarHBondContact O-OG1 3.45Å; V61-T63 VanDerWaalsContact C-N 3.28Å; V61-T63 PolarHBondContact O-N 3.09Å; T63-G66 PolarHBondContact O-N 3.28Å; T63-E67 PolarHBondContact O-N 3.47Å; T63-V116 HydrophobicContact CG2-CG1 4.29Å; T63-V116 HydrophobicContact CG2-CG2 4.48Å; T63-F392 HydrophobicContact CG2-CE1 3.99Å; T63-F392 HydrophobicContact CG2-CZ 4.42Å |
| 64 | I | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.3 | -44.4 | 179.2 | -67.3 | -52.1 | 0 | 0 | 0 | 112 | V34 E60 V61 I62 G66 E67 I68 F115 V116 M119 Q120 | V34-I64 HydrophobicContact CG2-CG2 4.06Å; E60-I64 WeakPolarHBondContact O-CG1 3.4Å; E60-I64 PolarHBondContact O-N 3.15Å; V61-I64 PolarHBondContact O-N 2.87Å; I62-I64 VanDerWaalsContact C-N 3.35Å; I62-I64 PolarHBondContact O-N 3.41Å; I64-G66 VanDerWaalsContact C-N 3.31Å; I64-G66 PolarHBondContact O-N 3.04Å; I64-E67 PolarHBondContact O-N 3.35Å; I64-I68 HydrophobicContact CG2-CD1 3.73Å; I64-I68 HydrophobicContact CG2-CG1 4.41Å; I64-I68 VanDerWaalsContact O-CG1 3.28Å; I64-I68 WeakPolarHBondContact O-CG1 3.44Å; I64-I68 PolarHBondContact O-N 3.47Å; I64-F115 HydrophobicContact CB-CE1 4.13Å; I64-F115 HydrophobicContact CG1-CD1 3.87Å; I64-F115 HydrophobicContact CG1-CE1 3.85Å; I64-F115 HydrophobicContact CG2-CE1 4.13Å; I64-V116 HydrophobicContact CG1-CG2 4.43Å; I64-M119 HydrophobicContact CD1-CB 3.77Å; I64-M119 HydrophobicContact CG1-CB 4.13Å; I64-M119 HydrophobicContact CG2-CB 4.35Å; I64-Q120 HydrophobicContact CD1-CB 3.59Å; I64-Q120 HydrophobicContact CD1-CG 4.28Å; I64-Q120 VanDerWaalsContact CD1-N 3.34Å |
| 65 | L | 98.7 | Very high | 98.2 | Very high | 24 Ų | 24 | 30.9 Ų | 30.9 | 13% | 0.126 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.7 | -43.4 | 176.9 | -68.9 | 175.3 | 0 | 0 | 0 | 111.2 | R31 V34 Q35 V61 I62 I68 D69 | R31-L65 HydrophobicContact CG-CD2 3.99Å; V34-L65 HydrophobicContact CB-CD2 4Å; V34-L65 HydrophobicContact CG1-CD1 4.42Å; V34-L65 HydrophobicContact CG1-CD2 3.68Å; V34-L65 HydrophobicContact CG1-CG 3.96Å; Q35-L65 HydrophobicContact CG-CD2 4.27Å; V61-L65 HydrophobicContact CG1-CD1 3.91Å; V61-L65 HydrophobicContact CG1-CG 4.31Å; V61-L65 WeakPolarHBondContact O-CG 3.43Å; V61-L65 PolarHBondContact O-N 3.34Å; I62-L65 PolarHBondContact O-N 2.95Å; L65-I68 PolarHBondContact O-N 3.2Å; L65-D69 WeakPolarHBondContact O-CB 3.38Å; L65-D69 PolarHBondContact O-N 3.45Å |
| 66 | G | 98.4 | Very high | 98.2 | Very high | 32 Ų | 32 | 32.7 Ų | 32.7 | 33% | 0.33 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.6 | -42.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I62 T63 I64 F70 | I62-G66 PolarHBondContact O-N 2.89Å; T63-G66 PolarHBondContact O-N 3.28Å; I64-G66 VanDerWaalsContact C-N 3.31Å; I64-G66 PolarHBondContact O-N 3.04Å; G66-F70 WeakPolarHBondContact O-CB 3.35Å; G66-F70 PolarHBondContact O-N 2.85Å |
| 67 | E | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.1 | -40.7 | 176.2 | -174.3 | 79.2 | 165 | 0 | 0 | 111.4 | T63 I64 F70 M71 Q120 V123 G412 S415 | T63-E67 PolarHBondContact O-N 3.47Å; I64-E67 PolarHBondContact O-N 3.35Å; E67-F70 PolarHBondContact O-N 2.9Å; E67-M71 WeakPolarHBondContact O-CG 3.4Å; E67-M71 PolarHBondContact O-N 3.34Å; E67-Q120 HydrophobicContact CB-CG 4.18Å; E67-Q120 HydrophobicContact CG-CG 3.78Å; E67-V123 HydrophobicContact CG-CB 4.23Å; E67-V123 HydrophobicContact CG-CG1 3.74Å; E67-G412 PolarHBondContact OE1-N 3.28Å; E67-G412 PolarHBondContact OE2-N 3.48Å; E67-S415 PolarHBondContact OE1-OG 3.09Å |
| 68 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.6 | -48.3 | 176.8 | -66.8 | 163.5 | 0 | 0 | 0 | 110.6 | L27 L30 R31 V34 I64 L65 F70 M71 L72 V123 | L27-I68 HydrophobicContact CB-CG2 4.44Å; L30-I68 HydrophobicContact CB-CD1 4.41Å; L30-I68 HydrophobicContact CD2-CD1 4.14Å; L30-I68 HydrophobicContact CD2-CG1 4.45Å; L30-I68 HydrophobicContact CG-CD1 3.96Å; R31-I68 HydrophobicContact CB-CD1 4.38Å; R31-I68 HydrophobicContact CB-CG2 3.97Å; R31-I68 HydrophobicContact CG-CG2 4.49Å; V34-I68 HydrophobicContact CG2-CD1 4.49Å; I64-I68 HydrophobicContact CG2-CD1 3.73Å; I64-I68 HydrophobicContact CG2-CG1 4.41Å; I64-I68 VanDerWaalsContact O-CG1 3.28Å; I64-I68 WeakPolarHBondContact O-CG1 3.44Å; I64-I68 PolarHBondContact O-N 3.47Å; L65-I68 PolarHBondContact O-N 3.2Å; I68-F70 VanDerWaalsContact C-N 3.32Å; I68-F70 PolarHBondContact O-N 3.42Å; I68-M71 PolarHBondContact O-N 3.36Å; I68-M71 VanDerWaalsContact O-N 3.16Å; I68-L72 HydrophobicContact CG2-CD1 3.8Å; I68-L72 HydrophobicContact CG2-CG 4.18Å; I68-L72 WeakPolarHBondContact O-CG 3.37Å; I68-L72 PolarHBondContact O-N 2.96Å; I68-V123 HydrophobicContact CD1-CG2 4.34Å; I68-V123 HydrophobicContact CG1-CG1 4.37Å; I68-V123 HydrophobicContact CG1-CG2 3.57Å |
| 69 | D | 98.7 | Very high | 98.3 | Very high | 80 Ų | 80 | 34.6 Ų | 34.6 | 43% | 0.428 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.8 | -37.9 | 179.9 | -75.4 | -20.2 | 0 | 0 | 0 | 111.5 | R31 L65 L72 G73 | R31-D69 WeakPolarHBondContact CD-OD1 3.38Å; R31-D69 IonicContact CZ-OD1 3.06Å; R31-D69 IonicContact NH1-OD1 3.1Å; R31-D69 PolarHBondContact NH1-OD1 3.09Å; L65-D69 WeakPolarHBondContact O-CB 3.38Å; L65-D69 PolarHBondContact O-N 3.45Å; D69-L72 PolarHBondContact O-N 3.26Å; D69-G73 PolarHBondContact O-N 3.01Å |
| 70 | F | 98.8 | Very high | 98.5 | Very high | 46 Ų | 46 | 35.2 Ų | 35.2 | 20% | 0.202 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.6 | -49.5 | 170.5 | 176 | -88.7 | 0 | 0 | 0 | 111.2 | G66 E67 I68 G73 N74 N395 G412 | G66-F70 WeakPolarHBondContact O-CB 3.35Å; G66-F70 PolarHBondContact O-N 2.85Å; E67-F70 PolarHBondContact O-N 2.9Å; I68-F70 VanDerWaalsContact C-N 3.32Å; I68-F70 PolarHBondContact O-N 3.42Å; F70-G73 PolarHBondContact O-N 3.43Å; F70-N74 WeakPolarHBondContact CD2-ND2 3.49Å; F70-N74 HydrophobicContact CE1-CB 4.43Å; F70-N74 WeakPolarHBondContact CE2-ND2 3.39Å; F70-N74 HydrophobicContact CZ-CB 4.4Å; F70-N74 WeakPolarHBondContact O-CB 3.42Å; F70-N74 PolarHBondContact O-N 3.09Å; F70-N74 PolarHBondContact O-ND2 3.01Å; F70-N395 HydrophobicContact CD2-CB 3.9Å; F70-N395 HydrophobicContact CE2-CB 4.07Å; F70-N395 HydrophobicContact CG-CB 4.28Å; F70-G412 VanDerWaalsContact CE1-C 3.5Å |
| 71 | M | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64 | -44.8 | 179.3 | -72.8 | -63.4 | -173.8 | 0 | 0 | 112 | L27 E67 I68 G73 N74 L75 L78 V123 A127 G412 | L27-M71 HydrophobicContact CD1-CB 3.92Å; E67-M71 WeakPolarHBondContact O-CG 3.4Å; E67-M71 PolarHBondContact O-N 3.34Å; I68-M71 PolarHBondContact O-N 3.36Å; I68-M71 VanDerWaalsContact O-N 3.16Å; M71-G73 VanDerWaalsContact C-N 3.27Å; M71-G73 PolarHBondContact O-N 2.86Å; M71-N74 PolarHBondContact O-N 3.03Å; M71-L75 WeakPolarHBondContact O-CA 3.5Å; M71-L75 WeakPolarHBondContact O-CB 3.28Å; M71-L75 PolarHBondContact O-N 3.25Å; M71-L78 HydrophobicContact SD-CD1 4.43Å; M71-V123 HydrophobicContact CB-CG1 4.21Å; M71-V123 HydrophobicContact CG-CG1 3.55Å; M71-A127 HydrophobicContact CE-CB 4.42Å; M71-A127 HydrophobicContact CG-CB 4.26Å; M71-A127 HydrophobicContact SD-CB 3.83Å; M71-G412 WeakPolarHBondContact CE-O 3.39Å |
| 72 | L | 98.8 | Very high | 98.5 | Very high | 28 Ų | 28 | 40.6 Ų | 40.6 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.1 | -41 | 178 | -72.8 | 172.8 | 0 | 0 | 0 | 111.8 | L24 L27 E28 I68 D69 | L24-L72 HydrophobicContact CB-CD2 4.47Å; L24-L72 HydrophobicContact CD2-CD2 3.79Å; L27-L72 HydrophobicContact CB-CD2 3.7Å; L27-L72 HydrophobicContact CB-CG 4.21Å; L27-L72 HydrophobicContact CD1-CD2 4.26Å; E28-L72 HydrophobicContact CG-CD1 4.27Å; E28-L72 HydrophobicContact CG-CD2 3.96Å; I68-L72 HydrophobicContact CG2-CD1 3.8Å; I68-L72 HydrophobicContact CG2-CG 4.18Å; I68-L72 WeakPolarHBondContact O-CG 3.37Å; I68-L72 PolarHBondContact O-N 2.96Å; D69-L72 PolarHBondContact O-N 3.26Å |
| 73 | G | 98.6 | Very high | 98.5 | Very high | 60 Ų | 60 | 42.3 Ų | 42.3 | 62% | 0.619 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -72.1 | -31.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | D69 F70 M71 | D69-G73 PolarHBondContact O-N 3.01Å; F70-G73 PolarHBondContact O-N 3.43Å; M71-G73 VanDerWaalsContact C-N 3.27Å; M71-G73 PolarHBondContact O-N 2.86Å |
| 74 | N | 98.8 | Very high | 98.5 | Very high | 55 Ų | 55 | 42.6 Ų | 42.6 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -110.3 | -17.1 | -169.7 | -66.1 | -84.8 | 0 | 0 | 0 | 114.4 | F70 M71 P76 E77 L78 | F70-N74 WeakPolarHBondContact CD2-ND2 3.49Å; F70-N74 HydrophobicContact CE1-CB 4.43Å; F70-N74 WeakPolarHBondContact CE2-ND2 3.39Å; F70-N74 HydrophobicContact CZ-CB 4.4Å; F70-N74 WeakPolarHBondContact O-CB 3.42Å; F70-N74 PolarHBondContact O-N 3.09Å; F70-N74 PolarHBondContact O-ND2 3.01Å; M71-N74 PolarHBondContact O-N 3.03Å; N74-P76 VanDerWaalsContact C-CD 3.45Å; N74-E77 PolarHBondContact O-N 3.19Å; N74-E77 VanDerWaalsContact O-N 3.11Å; N74-L78 HydrophobicContact CB-CD1 4.1Å; N74-L78 HydrophobicContact CB-CG 4.29Å; N74-L78 WeakPolarHBondContact O-CG 3.26Å; N74-L78 PolarHBondContact O-N 2.88Å |
| 75 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.7 | -38.3 | -172.5 | -176.5 | 58.2 | 0 | 0 | 0 | 115 | L20 R23 L24 L27 M71 E77 L78 A79 A127 F416 | L20-L75 HydrophobicContact CD1-CB 4.33Å; L20-L75 HydrophobicContact CD1-CD2 3.74Å; L20-L75 HydrophobicContact CD1-CG 3.52Å; R23-L75 HydrophobicContact CB-CD2 3.99Å; L24-L75 HydrophobicContact CD2-CB 4.32Å; L24-L75 HydrophobicContact CD2-CD2 4.03Å; L24-L75 HydrophobicContact CG-CD2 4.44Å; L27-L75 HydrophobicContact CD1-CD2 4.08Å; M71-L75 WeakPolarHBondContact O-CA 3.5Å; M71-L75 WeakPolarHBondContact O-CB 3.28Å; M71-L75 PolarHBondContact O-N 3.25Å; L75-E77 VanDerWaalsContact C-N 3.3Å; L75-E77 PolarHBondContact O-N 3.25Å; L75-L78 PolarHBondContact O-N 2.89Å; L75-A79 HydrophobicContact CD1-CB 4.47Å; L75-A79 VanDerWaalsContact O-CB 3.31Å; L75-A79 WeakPolarHBondContact O-CB 3.25Å; L75-A79 PolarHBondContact O-N 2.98Å; L75-A127 HydrophobicContact CD1-CB 4.03Å; L75-A127 WeakPolarHBondContact CD1-O 3.39Å; L75-A127 HydrophobicContact CD2-CB 4.3Å; L75-F416 HydrophobicContact CD1-CD2 3.78Å; L75-F416 HydrophobicContact CD1-CE2 3.64Å |
| 76 | P | 98.6 | Very high | 98.2 | Very high | 65 Ų | 65 | 56.1 Ų | 56.1 | 42% | 0.422 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.6 | -41.1 | 175.6 | -25.2 | 34.7 | 0 | 0 | 0 | 113.3 | L20 N74 | L20-P76 HydrophobicContact CD2-CB 3.98Å; L20-P76 HydrophobicContact CD2-CG 4.15Å; N74-P76 VanDerWaalsContact C-CD 3.45Å |
| 77 | E | 98.5 | Very high | 97.9 | Very high | 142 Ų | 142 | 59.1 Ų | 59.1 | 66% | 0.664 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -71.4 | -47.3 | 175.8 | -176 | -177.8 | 165.4 | 0 | 0 | 110.7 | N74 L75 A79 S80 | N74-E77 PolarHBondContact O-N 3.19Å; N74-E77 VanDerWaalsContact O-N 3.11Å; L75-E77 VanDerWaalsContact C-N 3.3Å; L75-E77 PolarHBondContact O-N 3.25Å; E77-A79 VanDerWaalsContact C-N 3.26Å; E77-A79 PolarHBondContact O-N 2.73Å; E77-S80 WeakPolarHBondContact O-CB 3.29Å; E77-S80 PolarHBondContact O-N 3.24Å; E77-S80 VanDerWaalsContact O-N 3.08Å; E77-S80 PolarHBondContact O-OG 3.44Å |
| 78 | L | 98.6 | Very high | 97.5 | Very high | 13 Ų | 13 | 63.6 Ų | 63.6 | 7% | 0.068 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58 | -38.8 | -178.2 | -68.7 | 178.2 | 0 | 0 | 0 | 112.5 | M71 N74 L75 S80 R82 K413 F416 | M71-L78 HydrophobicContact SD-CD1 4.43Å; N74-L78 HydrophobicContact CB-CD1 4.1Å; N74-L78 HydrophobicContact CB-CG 4.29Å; N74-L78 WeakPolarHBondContact O-CG 3.26Å; N74-L78 PolarHBondContact O-N 2.88Å; L75-L78 PolarHBondContact O-N 2.89Å; L78-S80 VanDerWaalsContact C-N 3.34Å; L78-R82 PolarHBondContact O-NH2 3.4Å; L78-K413 HydrophobicContact CD2-CB 4.1Å; L78-K413 HydrophobicContact CD2-CD 3.81Å; L78-K413 HydrophobicContact CD2-CG 3.62Å; L78-F416 HydrophobicContact CB-CD1 4.07Å; L78-F416 HydrophobicContact CB-CD2 4.33Å; L78-F416 HydrophobicContact CB-CE1 4.13Å; L78-F416 HydrophobicContact CB-CE2 4.38Å; L78-F416 HydrophobicContact CB-CG 4.18Å; L78-F416 HydrophobicContact CB-CZ 4.3Å; L78-F416 HydrophobicContact CD1-CB 4.21Å; L78-F416 HydrophobicContact CD1-CG 4.32Å; L78-F416 VanDerWaalsContact O-CE1 3.26Å; L78-F416 WeakPolarHBondContact O-CE1 3.42Å; L78-F416 WeakPolarHBondContact O-CZ 3.21Å |
| 79 | A | 98.4 | Very high | 97 | Very high | 23 Ų | 23 | 68.3 Ų | 68.3 | 19% | 0.19 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -10.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L75 E77 Q98 F416 | L75-A79 HydrophobicContact CD1-CB 4.47Å; L75-A79 VanDerWaalsContact O-CB 3.31Å; L75-A79 WeakPolarHBondContact O-CB 3.25Å; L75-A79 PolarHBondContact O-N 2.98Å; E77-A79 VanDerWaalsContact C-N 3.26Å; E77-A79 PolarHBondContact O-N 2.73Å; A79-Q98 PolarHBondContact O-NE2 3.01Å; A79-Q98 VanDerWaalsContact O-NE2 3.1Å; A79-F416 HydrophobicContact CB-CZ 4.36Å |
| 80 | S | 98.3 | Very high | 96.8 | Very high | 53 Ų | 53 | 65.6 Ų | 65.6 | 37% | 0.371 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -74.1 | 152.8 | -177.5 | 72.7 | 0 | 0 | 0 | 0 | 113 | E77 L78 R82 | E77-S80 WeakPolarHBondContact O-CB 3.29Å; E77-S80 PolarHBondContact O-N 3.24Å; E77-S80 VanDerWaalsContact O-N 3.08Å; E77-S80 PolarHBondContact O-OG 3.44Å; L78-S80 VanDerWaalsContact C-N 3.34Å; S80-R82 PolarHBondContact O-N 3.33Å |
| 81 | A | 98.3 | Very high | 96.5 | Very high | 45 Ų | 45 | 68.4 Ų | 68.4 | 37% | 0.372 | 38% | 0.383 | S | S | . | . | trans | -63 | 130 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y96 | A81-Y96 HydrophobicContact CB-CD2 3.77Å; A81-Y96 HydrophobicContact CB-CE2 4.3Å; A81-Y96 HydrophobicContact CB-CG 4.37Å | ||
| 82 | R | 98.1 | Very high | 96.2 | Very high | 68 Ų | 68 | 76.6 Ų | 76.6 | 26% | 0.257 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 118.5 | -178.9 | -55.9 | -178.9 | -161.7 | 154.8 | 6.6 | 110.1 | L78 S80 A84 Y96 V97 K413 D417 | L78-R82 PolarHBondContact O-NH2 3.4Å; S80-R82 PolarHBondContact O-N 3.33Å; R82-A84 PolarHBondContact O-N 2.95Å; R82-Y96 CarbonylContact O-C 3.48Å; R82-Y96 WeakPolarHBondContact O-CA 3.49Å; R82-Y96 WeakPolarHBondContact O-CB 3.43Å; R82-V97 PolarHBondContact N-O 2.7Å; R82-V97 PolarHBondContact O-N 3.38Å; R82-K413 VanDerWaalsContact NH1-NZ 3.13Å; R82-D417 IonicContact NH1-OD1 3.74Å; R82-D417 IonicContact NH2-OD1 3.82Å |
| 83 | P | 97.9 | Very high | 96 | Very high | 119 Ų | 119 | 76.2 Ų | 76.2 | 77% | 0.773 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 137.6 | 177.7 | -26 | 34.8 | 0 | 0 | 0 | 112.6 | ||
| 84 | A | 97.4 | Very high | 96 | Very high | 41 Ų | 41 | 78.8 Ų | 78.8 | 34% | 0.339 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -100.1 | 147.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R82 K86 A95 | R82-A84 PolarHBondContact O-N 2.95Å; A84-K86 PolarHBondContact O-N 3.27Å; A84-A95 HydrophobicContact CB-CB 4.17Å; A84-A95 PolarHBondContact N-O 2.9Å |
| 85 | K | 96.9 | Very high | 95.9 | Very high | 212 Ų | 212 | 77 Ų | 77 | 92% | 0.922 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 123.5 | 173.4 | -175.9 | 178.9 | 178 | -176.9 | 0 | 109.9 | ||
| 86 | K | 95.3 | Very high | 95.9 | Very high | 96 Ų | 96 | 79.4 Ų | 79.4 | 42% | 0.417 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -89.2 | 160.7 | -179.4 | -61.9 | -179.8 | -72.2 | 172.3 | 0 | 111.7 | A84 T90 M91 D93 A95 | A84-K86 PolarHBondContact O-N 3.27Å; K86-T90 WeakPolarHBondContact CD-O 3.18Å; K86-M91 WeakPolarHBondContact CE-O 3.24Å; K86-M91 PolarHBondContact NZ-O 2.79Å; K86-D93 WeakPolarHBondContact CD-O 3.44Å; K86-D93 PolarHBondContact NZ-O 3.01Å; K86-A95 HydrophobicContact CD-CB 4.21Å; K86-A95 HydrophobicContact CG-CB 3.86Å |
| 87 | N | 91.8 | Very high | 95.9 | Very high | 95 Ų | 95 | 78.3 Ų | 78.3 | 51% | 0.508 | 41% | 0.411 | S | S | . | . | trans | -113.6 | -178.6 | 173.8 | 67.8 | 45 | 0 | 0 | 0 | 110.4 | L89 T90 M91 | N87-L89 PolarHBondContact O-N 2.93Å; N87-L89 WeakPolarHBondContact OD1-CB 3.49Å; N87-L89 PolarHBondContact OD1-N 2.93Å; N87-T90 PolarHBondContact N-OG1 2.69Å; N87-T90 VanDerWaalsContact N-OG1 3.1Å; N87-T90 CarbonylContact O-C 3.45Å; N87-T90 PolarHBondContact O-N 3.17Å; N87-T90 VanDerWaalsContact O-N 3.11Å; N87-T90 PolarHBondContact OD1-N 3.27Å; N87-T90 PolarHBondContact OD1-OG1 2.92Å; N87-M91 WeakPolarHBondContact O-CA 3.49Å; N87-M91 PolarHBondContact O-N 3.38Å | ||
| 88 | L | 88.7 | Confident | 96 | Very high | 95 Ų | 95 | 74 Ų | 74 | 50% | 0.497 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -37.4 | -177.2 | -177.5 | 62.7 | 0 | 0 | 0 | 113 | T90 F454 L455 | L88-T90 VanDerWaalsContact C-N 3.31Å; L88-F454 HydrophobicContact CD2-CB 4.1Å; L88-L455 HydrophobicContact CD2-CD2 4.45Å |
| 89 | L | 89.6 | Confident | 96 | Very high | 99 Ų | 99 | 74 Ų | 74 | 52% | 0.518 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -18.8 | -177.6 | -58.8 | 178.3 | 0 | 0 | 0 | 113 | N87 W450 L455 | N87-L89 PolarHBondContact O-N 2.93Å; N87-L89 WeakPolarHBondContact OD1-CB 3.49Å; N87-L89 PolarHBondContact OD1-N 2.93Å; L89-W450 HydrophobicContact CD2-CH2 4.28Å; L89-L455 HydrophobicContact CD1-CD1 4.37Å; L89-L455 HydrophobicContact CD1-CD2 4.19Å; L89-L455 HydrophobicContact CD2-CD2 4.07Å; L89-L455 HydrophobicContact CG-CD2 4.01Å |
| 90 | T | 93.6 | Very high | 96 | Very high | 22 Ų | 22 | 75 Ų | 75 | 14% | 0.135 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | 7.2 | -176.7 | 59.8 | 0 | 0 | 0 | 0 | 113.5 | K86 N87 L88 M92 D93 L426 | K86-T90 WeakPolarHBondContact CD-O 3.18Å; N87-T90 PolarHBondContact N-OG1 2.69Å; N87-T90 VanDerWaalsContact N-OG1 3.1Å; N87-T90 CarbonylContact O-C 3.45Å; N87-T90 PolarHBondContact O-N 3.17Å; N87-T90 VanDerWaalsContact O-N 3.11Å; N87-T90 PolarHBondContact OD1-N 3.27Å; N87-T90 PolarHBondContact OD1-OG1 2.92Å; L88-T90 VanDerWaalsContact C-N 3.31Å; T90-M92 PolarHBondContact O-N 2.84Å; T90-M92 VanDerWaalsContact O-N 3.12Å; T90-D93 VanDerWaalsContact CA-OD2 3.29Å; T90-D93 WeakPolarHBondContact CA-OD2 3.39Å; T90-D93 WeakPolarHBondContact O-CB 3.16Å; T90-D93 PolarHBondContact O-N 2.96Å; T90-L426 HydrophobicContact CG2-CD1 4.01Å; T90-L426 HydrophobicContact CG2-CD2 4.04Å |
| 91 | M | 92.9 | Very high | 96 | Very high | 106 Ų | 106 | 73.1 Ų | 73.1 | 52% | 0.522 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -40.1 | -173.9 | 170.2 | -179.3 | -74.5 | 0 | 0 | 113.4 | K86 N87 | K86-M91 WeakPolarHBondContact CE-O 3.24Å; K86-M91 PolarHBondContact NZ-O 2.79Å; N87-M91 WeakPolarHBondContact O-CA 3.49Å; N87-M91 PolarHBondContact O-N 3.38Å |
| 92 | M | 92.2 | Very high | 96 | Very high | 172 Ų | 172 | 73 Ų | 73 | 85% | 0.847 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -5.7 | -178 | -59.4 | -60.5 | -177.6 | 0 | 0 | 113.4 | T90 | T90-M92 PolarHBondContact O-N 2.84Å; T90-M92 VanDerWaalsContact O-N 3.12Å |
| 93 | D | 95.2 | Very high | 96.1 | Very high | 20 Ų | 20 | 69.9 Ų | 69.9 | 11% | 0.107 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -88.1 | 164.3 | -179.5 | -56 | -38.5 | 0 | 0 | 0 | 110.9 | K86 T90 L426 K428 | K86-D93 WeakPolarHBondContact CD-O 3.44Å; K86-D93 PolarHBondContact NZ-O 3.01Å; T90-D93 VanDerWaalsContact CA-OD2 3.29Å; T90-D93 WeakPolarHBondContact CA-OD2 3.39Å; T90-D93 WeakPolarHBondContact O-CB 3.16Å; T90-D93 PolarHBondContact O-N 2.96Å; D93-L426 HydrophobicContact CB-CD1 3.67Å; D93-K428 VanDerWaalsContact CG-NZ 3.33Å; D93-K428 IonicContact OD1-NZ 2.68Å; D93-K428 PolarHBondContact OD1-NZ 3.42Å; D93-K428 IonicContact OD2-NZ 2.64Å; D93-K428 PolarHBondContact OD2-NZ 3.31Å |
| 94 | E | 97.8 | Very high | 96.1 | Very high | 114 Ų | 114 | 64.2 Ų | 64.2 | 53% | 0.533 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 129.2 | 165.4 | -166.1 | -175.9 | 162.7 | 0 | 0 | 109 | Y96 L426 L427 | E94-Y96 HydrophobicContact CG-CD1 4.06Å; E94-Y96 HydrophobicContact CG-CE1 4.41Å; E94-L426 CarbonylContact O-C 3.55Å; E94-L426 WeakPolarHBondContact O-CA 3.42Å; E94-L427 HydrophobicContact CB-CB 4.15Å; E94-L427 PolarHBondContact N-O 2.96Å; E94-L427 VanDerWaalsContact N-O 3.12Å; E94-L427 PolarHBondContact O-N 2.85Å |
| 95 | A | 98.3 | Very high | 96.2 | Very high | 18 Ų | 18 | 62.2 Ų | 62.2 | 15% | 0.149 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 126.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | A84 K86 C425 L426 | A84-A95 HydrophobicContact CB-CB 4.17Å; A84-A95 PolarHBondContact N-O 2.9Å; K86-A95 HydrophobicContact CD-CB 4.21Å; K86-A95 HydrophobicContact CG-CB 3.86Å; A95-C425 VanDerWaalsContact CA-O 3.32Å; A95-C425 WeakPolarHBondContact CA-O 3.31Å; A95-L426 HydrophobicContact CB-CD1 4.04Å |
| 96 | Y | 98.6 | Very high | 96.3 | Very high | 50 Ų | 50 | 52.1 Ų | 52.1 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 165.4 | -179.3 | 62.3 | -87.8 | 0 | 0 | 0 | 111.4 | A81 R82 E94 Q98 C425 L427 | A81-Y96 HydrophobicContact CB-CD2 3.77Å; A81-Y96 HydrophobicContact CB-CE2 4.3Å; A81-Y96 HydrophobicContact CB-CG 4.37Å; R82-Y96 CarbonylContact O-C 3.48Å; R82-Y96 WeakPolarHBondContact O-CA 3.49Å; R82-Y96 WeakPolarHBondContact O-CB 3.43Å; E94-Y96 HydrophobicContact CG-CD1 4.06Å; E94-Y96 HydrophobicContact CG-CE1 4.41Å; Y96-Q98 HydrophobicContact CD2-CB 4.19Å; Y96-Q98 HydrophobicContact CE2-CB 4Å; Y96-C425 HydrophobicContact CD1-CB 4Å; Y96-C425 HydrophobicContact CD2-CB 3.9Å; Y96-C425 HydrophobicContact CE1-CB 3.62Å; Y96-C425 HydrophobicContact CE2-CB 3.53Å; Y96-C425 HydrophobicContact CG-CB 4.13Å; Y96-C425 PolarHBondContact N-O 3.37Å; Y96-C425 PolarHBondContact O-N 3.11Å; Y96-L427 HydrophobicContact CE1-CD1 3.88Å; Y96-L427 HydrophobicContact CE1-CG 4.07Å |
| 97 | V | 98.8 | Very high | 96.5 | Very high | 41 Ų | 41 | 47.6 Ų | 47.6 | 25% | 0.248 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 126.4 | 171 | 178.2 | 0 | 0 | 0 | 0 | 108.1 | R82 Q422 R423 | R82-V97 PolarHBondContact N-O 2.7Å; R82-V97 PolarHBondContact O-N 3.38Å; V97-Q422 HydrophobicContact CG1-CB 3.76Å; V97-R423 CarbonylContact C-O 3.51Å; V97-R423 WeakPolarHBondContact CA-O 3.06Å |
| 98 | Q | 98.6 | Very high | 96.8 | Very high | 53 Ų | 53 | 43.5 Ų | 43.5 | 25% | 0.248 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 115.6 | 177.4 | -179.9 | 62.7 | 59.8 | 0 | 0 | 109.6 | A79 Y96 R423 | A79-Q98 PolarHBondContact O-NE2 3.01Å; A79-Q98 VanDerWaalsContact O-NE2 3.1Å; Y96-Q98 HydrophobicContact CD2-CB 4.19Å; Y96-Q98 HydrophobicContact CE2-CB 4Å; Q98-R423 PolarHBondContact N-O 2.98Å; Q98-R423 WeakPolarHBondContact O-CB 3.33Å; Q98-R423 PolarHBondContact O-N 3.26Å |
| 99 | P | 98.7 | Very high | 97.3 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 8% | 0.078 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 136.3 | 169.9 | -18.5 | 30.6 | 0 | 0 | 0 | 111 | F416 H421 | P99-F416 HydrophobicContact CB-CE1 3.63Å; P99-F416 HydrophobicContact CB-CZ 3.72Å; P99-F416 HydrophobicContact CG-CE1 3.89Å; P99-F416 HydrophobicContact CG-CZ 4.22Å; P99-H421 WeakPolarHBondContact CA-O 3.24Å |
| 100 | E | 98.6 | Very high | 97.7 | Very high | 43 Ų | 43 | 34.9 Ų | 34.9 | 20% | 0.201 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 147.3 | 171.9 | 65.9 | -173.9 | 167.3 | 0 | 0 | 111.3 | S420 H421 R423 | E100-S420 CarbonylContact O-C 3.55Å; E100-S420 VanDerWaalsContact O-CA 3.32Å; E100-S420 WeakPolarHBondContact O-CA 3.41Å; E100-H421 HydrophobicContact CG-CB 3.95Å; E100-H421 PolarHBondContact N-O 2.68Å; E100-H421 PolarHBondContact O-N 3.1Å; E100-H421 IonicContact OE1-CE1 3.71Å; E100-H421 IonicContact OE1-ND1 2.76Å; E100-H421 PolarHBondContact OE1-ND1 3.1Å; E100-R423 WeakPolarHBondContact OE1-CD 3.5Å; E100-R423 IonicContact OE1-CZ 2.66Å; E100-R423 IonicContact OE1-NE 2.56Å; E100-R423 IonicContact OE1-NH1 4Å; E100-R423 PolarHBondContact OE1-NH1 2.89Å; E100-R423 IonicContact OE2-CZ 2.83Å; E100-R423 VanDerWaalsContact OE2-CZ 3.28Å; E100-R423 IonicContact OE2-NE 3.89Å; E100-R423 IonicContact OE2-NH1 2.75Å; E100-R423 PolarHBondContact OE2-NH1 3.29Å; E100-R423 IonicContact OE2-NH2 3.69Å |
| 101 | P | 98.9 | Very high | 98 | Very high | 14 Ų | 14 | 35.2 Ų | 35.2 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 146 | 178.9 | 25.5 | -34.3 | 0 | 0 | 0 | 111.3 | F12 A128 G129 | F12-P101 HydrophobicContact CE2-CB 3.82Å; F12-P101 HydrophobicContact CE2-CG 3.81Å; F12-P101 HydrophobicContact CZ-CB 4.15Å; F12-P101 HydrophobicContact CZ-CG 3.97Å; P101-A128 WeakPolarHBondContact CB-O 3.22Å; P101-G129 WeakPolarHBondContact CB-O 3.39Å |
| 102 | L | 98.9 | Very high | 98.3 | Very high | 44 Ų | 44 | 30.4 Ų | 30.4 | 23% | 0.23 | 15% | 0.154 | C | C | . | . | trans | -71.6 | -44.8 | 176.3 | -63.9 | 174 | 0 | 0 | 0 | 111.8 | N130 D179 H180 H421 | L102-N130 PolarHBondContact N-OD1 3.06Å; L102-D179 HydrophobicContact CB-CB 4.07Å; L102-D179 WeakPolarHBondContact O-CB 3.41Å; L102-H180 HydrophobicContact CD1-CB 3.75Å; L102-H421 HydrophobicContact CD2-CB 3.89Å | ||
| 103 | G | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 148.3 | -115.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N130 A131 D179 | G103-N130 PolarHBondContact N-OD1 3.37Å; G103-N130 WeakPolarHBondContact O-CA 3.44Å; G103-N130 WeakPolarHBondContact O-CB 3.39Å; G103-A131 PolarHBondContact O-N 2.92Å; G103-D179 WeakPolarHBondContact CA-OD2 3.27Å |
| 104 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 117.3 | 174.5 | -170 | 0 | 0 | 0 | 0 | 109.1 | L8 R9 A131 F178 D179 | L8-V104 HydrophobicContact CB-CG1 4.27Å; L8-V104 HydrophobicContact CD2-CG1 4.43Å; R9-V104 HydrophobicContact CB-CG2 3.92Å; R9-V104 HydrophobicContact CG-CG2 4.29Å; V104-A131 WeakPolarHBondContact CA-O 3.42Å; V104-A131 HydrophobicContact CG1-CB 4.45Å; V104-A131 HydrophobicContact CG2-CB 4.27Å; V104-F178 HydrophobicContact CB-CD1 4.39Å; V104-F178 HydrophobicContact CG1-CD1 3.92Å; V104-F178 HydrophobicContact CG1-CE1 4.09Å; V104-D179 PolarHBondContact N-OD2 3.25Å; V104-D179 PolarHBondContact O-N 2.93Å |
| 105 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 139.4 | 178 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | I107 A125 N130 A131 A132 I133 H180 F419 | V105-I107 HydrophobicContact CG1-CG1 4.09Å; V105-A125 HydrophobicContact CB-CB 4.4Å; V105-A125 HydrophobicContact CG1-CB 4.44Å; V105-A125 HydrophobicContact CG2-CB 4.41Å; V105-N130 HydrophobicContact CG2-CB 3.71Å; V105-A131 PolarHBondContact N-O 3.4Å; V105-A132 CarbonylContact O-C 3.48Å; V105-A132 VanDerWaalsContact O-CA 3.28Å; V105-A132 WeakPolarHBondContact O-CA 3.4Å; V105-I133 PolarHBondContact O-N 3.03Å; V105-H180 WeakPolarHBondContact CA-O 3.15Å; V105-H180 HydrophobicContact CG1-CB 4.38Å; V105-H180 HydrophobicContact CG2-CB 4.13Å; V105-F419 HydrophobicContact CG1-CD1 3.85Å; V105-F419 HydrophobicContact CG1-CE1 3.61Å; V105-F419 HydrophobicContact CG1-CZ 4.46Å; V105-F419 HydrophobicContact CG2-CD1 4.02Å |
| 106 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 128.8 | 165.9 | 175.7 | 61.6 | 0 | 0 | 0 | 109.4 | I108 I133 K135 L173 L174 F178 H180 I181 L182 | L106-I108 HydrophobicContact CD1-CG1 4.26Å; L106-I108 HydrophobicContact CD2-CD1 3.94Å; L106-I108 HydrophobicContact CD2-CG1 4.03Å; L106-I108 HydrophobicContact CG-CD1 4.34Å; L106-I108 HydrophobicContact CG-CG1 3.89Å; L106-I133 CarbonylContact C-O 3.52Å; L106-I133 WeakPolarHBondContact CA-O 3.31Å; L106-I133 HydrophobicContact CD1-CB 4.05Å; L106-I133 HydrophobicContact CD1-CG2 3.86Å; L106-K135 HydrophobicContact CD1-CB 4.43Å; L106-L173 HydrophobicContact CD1-CD2 3.63Å; L106-L173 HydrophobicContact CD1-CG 4.24Å; L106-L173 HydrophobicContact CD2-CD2 4.37Å; L106-L173 HydrophobicContact CD2-CG 4.35Å; L106-L174 HydrophobicContact CD2-CD2 3.94Å; L106-F178 HydrophobicContact CB-CB 4.47Å; L106-F178 HydrophobicContact CB-CD1 3.69Å; L106-F178 HydrophobicContact CB-CD2 3.97Å; L106-F178 HydrophobicContact CB-CE1 3.81Å; L106-F178 HydrophobicContact CB-CE2 4.09Å; L106-F178 HydrophobicContact CB-CG 3.77Å; L106-F178 HydrophobicContact CB-CZ 4.01Å; L106-F178 HydrophobicContact CD1-CE1 4.48Å; L106-F178 HydrophobicContact CD1-CZ 4.21Å; L106-F178 HydrophobicContact CD2-CD2 3.99Å; L106-F178 HydrophobicContact CD2-CE2 3.68Å; L106-F178 HydrophobicContact CD2-CZ 4.07Å; L106-F178 HydrophobicContact CG-CE2 4.35Å; L106-F178 HydrophobicContact CG-CZ 4.32Å; L106-H180 PolarHBondContact N-O 3.01Å; L106-I181 HydrophobicContact CB-CG1 4.15Å; L106-I181 HydrophobicContact CB-CG2 4.34Å; L106-I181 HydrophobicContact CD2-CG1 4.4Å; L106-I181 HydrophobicContact CD2-CG2 4.16Å; L106-I181 HydrophobicContact CG-CG2 4.33Å; L106-I181 CarbonylContact O-C 3.5Å; L106-I181 WeakPolarHBondContact O-CA 3.09Å; L106-L182 PolarHBondContact O-N 3.47Å |
| 107 | I | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 116 | 174.4 | -64.6 | 157.9 | 0 | 0 | 0 | 107.5 | V105 P121 L122 A125 A132 I133 V134 K135 L182 | V105-I107 HydrophobicContact CG1-CG1 4.09Å; I107-P121 HydrophobicContact CD1-CB 3.94Å; I107-P121 HydrophobicContact CG1-CB 4.01Å; I107-P121 HydrophobicContact CG2-CB 3.85Å; I107-P121 HydrophobicContact CG2-CG 4.2Å; I107-L122 HydrophobicContact CD1-CB 3.94Å; I107-L122 HydrophobicContact CD1-CD1 4.29Å; I107-A125 HydrophobicContact CD1-CB 4.38Å; I107-A132 HydrophobicContact CD1-CB 4.44Å; I107-I133 PolarHBondContact N-O 2.85Å; I107-V134 HydrophobicContact CB-CG2 4.37Å; I107-V134 HydrophobicContact CD1-CG2 4.24Å; I107-V134 CarbonylContact O-C 3.58Å; I107-V134 WeakPolarHBondContact O-CA 3.45Å; I107-K135 PolarHBondContact O-N 2.8Å; I107-L182 CarbonylContact C-O 3.55Å; I107-L182 WeakPolarHBondContact CA-O 3.45Å |
| 108 | I | 98.9 | Very high | 98.8 | Very high | 9 Ų | 9 | 13 Ų | 13 | 5% | 0.046 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 106.9 | 176 | -54.4 | 173.9 | 0 | 0 | 0 | 107.8 | L106 K135 T170 L174 I181 L182 Y183 T184 V193 | L106-I108 HydrophobicContact CD1-CG1 4.26Å; L106-I108 HydrophobicContact CD2-CD1 3.94Å; L106-I108 HydrophobicContact CD2-CG1 4.03Å; L106-I108 HydrophobicContact CG-CD1 4.34Å; L106-I108 HydrophobicContact CG-CG1 3.89Å; I108-K135 HydrophobicContact CG1-CB 4.33Å; I108-K135 HydrophobicContact CG2-CD 4.19Å; I108-T170 HydrophobicContact CD1-CG2 4.36Å; I108-L174 HydrophobicContact CD1-CD2 4.09Å; I108-I181 HydrophobicContact CD1-CG2 4.43Å; I108-L182 PolarHBondContact N-O 2.89Å; I108-Y183 HydrophobicContact CB-CD2 3.82Å; I108-Y183 HydrophobicContact CD1-CD2 4.27Å; I108-Y183 HydrophobicContact CG2-CD2 3.7Å; I108-Y183 HydrophobicContact CG2-CE2 4.05Å; I108-T184 PolarHBondContact O-N 3.43Å; I108-V193 HydrophobicContact CD1-CG2 4.28Å |
| 109 | G | 98.7 | Very high | 98.8 | Very high | 5 Ų | 5 | 10.5 Ų | 10.5 | 5% | 0.052 | 6% | 0.055 | C | C | . | . | trans | -84.8 | 154.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K135 | G109-K135 PolarHBondContact N-O 2.84Š| ||
| 110 | A | 98.8 | Very high | 98.8 | Very high | 8 Ų | 8 | 10 Ų | 10 | 7% | 0.066 | 5% | 0.051 | C | C | . | . | trans | -91.3 | 174.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L117 T184 | A110-L117 HydrophobicContact CB-CD1 3.8Å; A110-T184 HydrophobicContact CB-CG2 4.09Å | ||
| 111 | W | 98.9 | Very high | 98.8 | Very high | 30 Ų | 30 | 8 Ų | 8 | 11% | 0.114 | 4% | 0.042 | C | C | . | . | S | Bend | trans | -95.7 | -20.9 | -172.4 | 49.9 | -93.7 | 0 | 0 | 0 | 114.8 | P114 S137 L139 S140 Q239 I283 H287 F333 | W111-P114 VanDerWaalsContact O-CD 3.29Å; W111-P114 WeakPolarHBondContact O-CD 3.37Å; W111-S137 WeakPolarHBondContact CB-OG 3.45Å; W111-L139 HydrophobicContact CB-CB 3.82Å; W111-L139 HydrophobicContact CG-CB 4.03Å; W111-L139 HydrophobicContact CG-CD1 4.09Å; W111-S140 VanDerWaalsContact CA-OG 3.25Å; W111-S140 WeakPolarHBondContact CA-OG 3.44Å; W111-S140 WeakPolarHBondContact CB-OG 3.47Å; W111-S140 PolarHBondContact O-OG 3.46Å; W111-Q239 HydrophobicContact CH2-CB 4.05Å; W111-Q239 HydrophobicContact CH2-CG 4.1Å; W111-Q239 HydrophobicContact CZ3-CB 3.99Å; W111-Q239 HydrophobicContact CZ3-CG 4.21Å; W111-I283 HydrophobicContact CD2-CB 4.41Å; W111-I283 HydrophobicContact CD2-CG1 4.11Å; W111-I283 HydrophobicContact CD2-CG2 4.25Å; W111-I283 HydrophobicContact CE3-CB 3.67Å; W111-I283 HydrophobicContact CE3-CD1 4.06Å; W111-I283 HydrophobicContact CE3-CG1 3.63Å; W111-I283 HydrophobicContact CE3-CG2 3.86Å; W111-I283 HydrophobicContact CH2-CB 4.02Å; W111-I283 HydrophobicContact CH2-CG2 3.47Å; W111-I283 VanDerWaalsContact CH2-CG2 3.47Å; W111-I283 HydrophobicContact CZ2-CG2 3.91Å; W111-I283 HydrophobicContact CZ3-CB 3.48Å; W111-I283 VanDerWaalsContact CZ3-CB 3.48Å; W111-I283 HydrophobicContact CZ3-CG1 4.01Å; W111-I283 HydrophobicContact CZ3-CG2 3.49Å; W111-I283 VanDerWaalsContact CZ3-CG2 3.49Å; W111-H287 AromaticContact CZ2-CE1 3.83Å; W111-H287 AromaticContact CZ2-NE2 3.89Å; W111-F333 AromaticContact CH2-CD1 3.52Å; W111-F333 HydrophobicContact CH2-CD1 3.52Å; W111-F333 AromaticContact CH2-CE1 3.27Å; W111-F333 HydrophobicContact CH2-CE1 3.27Å; W111-F333 AromaticContact CZ2-CD1 3.68Å; W111-F333 HydrophobicContact CZ2-CD1 3.68Å; W111-F333 AromaticContact CZ2-CE1 3.37Å; W111-F333 HydrophobicContact CZ2-CE1 3.37Å; W111-F333 HydrophobicContact CZ3-CE1 4.01Å |
| 112 | N | 98.8 | Very high | 98.8 | Very high | 4 Ų | 4 | 7.3 Ų | 7.3 | 2% | 0.021 | 4% | 0.038 | C | C | . | . | S | Bend | trans | -79.2 | -27.4 | -167.3 | 61.7 | -49.3 | 0 | 0 | 0 | 114.3 | L49 L117 N236 Q239 F333 | L49-N112 VanDerWaalsContact CD1-O 3.28Å; L49-N112 WeakPolarHBondContact CD1-O 3.25Å; N112-L117 WeakPolarHBondContact OD1-CD1 3.27Å; N112-N236 PolarHBondContact O-ND2 3.11Å; N112-Q239 HydrophobicContact CB-CB 4.41Å; N112-Q239 WeakPolarHBondContact CB-O 2.93Å; N112-Q239 PolarHBondContact ND2-O 3.13Å; N112-F333 HydrophobicContact CB-CE1 3.95Å; N112-F333 HydrophobicContact CB-CZ 3.97Å; N112-F333 WeakPolarHBondContact ND2-CZ 3.24Å |
| 113 | Y | 98.8 | Very high | 98.8 | Very high | 24 Ų | 24 | 5.2 Ų | 5.2 | 9% | 0.094 | 3% | 0.027 | C | C | . | . | S | Bend | trans | -134.7 | 70.4 | 165.5 | -63 | -92 | 0 | 0 | 0 | 107.1 | H59 E60 F115 V116 L117 M235 T240 | H59-Y113 HydrophobicContact CB-CE1 4.23Å; E60-Y113 HydrophobicContact CG-CD1 3.84Å; E60-Y113 WeakPolarHBondContact OE2-CA 3.36Å; Y113-F115 PolarHBondContact O-N 3.3Å; Y113-F115 VanDerWaalsContact O-N 3.16Å; Y113-V116 PolarHBondContact O-N 2.81Å; Y113-L117 WeakPolarHBondContact O-CB 3.46Å; Y113-L117 WeakPolarHBondContact O-CG 3.38Å; Y113-L117 PolarHBondContact O-N 2.79Å; Y113-M235 PolarHBondContact OH-SD 3.42Å; Y113-M235 VanDerWaalsContact OH-SD 3.41Å; Y113-T240 HydrophobicContact CE2-CG2 3.82Å; Y113-T240 WeakPolarHBondContact CE2-OG1 3.25Å; Y113-T240 PolarHBondContact OH-OG1 3.16Å |
| 114 | P | 98.8 | Very high | 98.8 | Very high | 5 Ų | 5 | 5.1 Ų | 5.1 | 3% | 0.032 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -21.9 | -160.3 | 28.4 | -33.4 | 0 | 0 | 0 | 112.6 | E60 W111 T118 T143 | E60-P114 WeakPolarHBondContact OE2-CD 3.4Å; W111-P114 VanDerWaalsContact O-CD 3.29Å; W111-P114 WeakPolarHBondContact O-CD 3.37Å; P114-T118 WeakPolarHBondContact O-CG2 3.48Å; P114-T118 PolarHBondContact O-OG1 2.98Å; P114-T143 HydrophobicContact CB-CG2 3.8Å; P114-T143 HydrophobicContact CG-CG2 3.89Å; P114-T143 WeakPolarHBondContact CG-OG1 3.29Å |
| 115 | F | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 5.1 Ų | 5.1 | 0% | 0.004 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -47.7 | 174.9 | -166.7 | -111.5 | 0 | 0 | 0 | 111.6 | M33 V34 I41 I45 E60 I64 Y113 L117 T118 M119 L147 | M33-F115 HydrophobicContact CE-CE2 4.44Å; M33-F115 HydrophobicContact CE-CZ 4.44Å; V34-F115 HydrophobicContact CG2-CE1 4.3Å; V34-F115 HydrophobicContact CG2-CZ 3.96Å; I41-F115 HydrophobicContact CD1-CE2 4.09Å; I41-F115 HydrophobicContact CD1-CZ 3.94Å; I41-F115 HydrophobicContact CG1-CE2 4.32Å; I41-F115 HydrophobicContact CG2-CD1 4.24Å; I41-F115 HydrophobicContact CG2-CD2 3.88Å; I41-F115 HydrophobicContact CG2-CE1 4.24Å; I41-F115 HydrophobicContact CG2-CE2 3.89Å; I41-F115 HydrophobicContact CG2-CG 4.07Å; I41-F115 HydrophobicContact CG2-CZ 4.07Å; I45-F115 HydrophobicContact CD1-CB 3.81Å; I45-F115 HydrophobicContact CD1-CG 4.37Å; I45-F115 HydrophobicContact CG1-CB 4.4Å; E60-F115 PolarHBondContact OE2-N 3.17Å; I64-F115 HydrophobicContact CB-CE1 4.13Å; I64-F115 HydrophobicContact CG1-CD1 3.87Å; I64-F115 HydrophobicContact CG1-CE1 3.85Å; I64-F115 HydrophobicContact CG2-CE1 4.13Å; Y113-F115 PolarHBondContact O-N 3.3Å; Y113-F115 VanDerWaalsContact O-N 3.16Å; F115-L117 PolarHBondContact O-N 3Å; F115-T118 PolarHBondContact O-N 2.89Å; F115-T118 PolarHBondContact O-OG1 3.03Å; F115-T118 VanDerWaalsContact O-OG1 3.08Å; F115-M119 HydrophobicContact CD1-CG 4.49Å; F115-M119 HydrophobicContact CD2-CG 3.86Å; F115-M119 HydrophobicContact CE1-CG 4.26Å; F115-M119 HydrophobicContact CE2-CG 3.59Å; F115-M119 HydrophobicContact CE2-SD 4.43Å; F115-M119 HydrophobicContact CG-CG 4.3Å; F115-M119 HydrophobicContact CZ-CG 3.8Å; F115-M119 VanDerWaalsContact O-CB 3.31Å; F115-M119 WeakPolarHBondContact O-CB 3.1Å; F115-M119 WeakPolarHBondContact O-CG 3.33Å; F115-M119 PolarHBondContact O-N 3.08Å; F115-L147 HydrophobicContact CD2-CD2 3.87Å; F115-L147 HydrophobicContact CE2-CD2 3.74Å |
| 116 | V | 98.7 | Very high | 98.8 | Very high | 4 Ų | 4 | 5.1 Ų | 5.1 | 2% | 0.024 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -60.9 | -49.9 | 179.2 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | E60 T63 I64 Y113 T118 M119 Q120 F392 | E60-V116 HydrophobicContact CB-CG2 3.61Å; E60-V116 HydrophobicContact CG-CG2 3.72Å; T63-V116 HydrophobicContact CG2-CG1 4.29Å; T63-V116 HydrophobicContact CG2-CG2 4.48Å; I64-V116 HydrophobicContact CG1-CG2 4.43Å; Y113-V116 PolarHBondContact O-N 2.81Å; V116-T118 PolarHBondContact O-N 3.35Å; V116-T118 VanDerWaalsContact O-N 3.1Å; V116-M119 PolarHBondContact O-N 2.76Å; V116-Q120 HydrophobicContact CG1-CB 4.34Å; V116-Q120 WeakPolarHBondContact O-CB 3.47Å; V116-Q120 PolarHBondContact O-N 3.06Å; V116-F392 HydrophobicContact CG1-CZ 4.15Å |
| 117 | L | 98.8 | Very high | 98.8 | Very high | 15 Ų | 15 | 5.1 Ų | 5.1 | 8% | 0.079 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -76.6 | 1.8 | -171.6 | -58.7 | 176.6 | 0 | 0 | 0 | 113.4 | A110 N112 Y113 F115 T184 | A110-L117 HydrophobicContact CB-CD1 3.8Å; N112-L117 WeakPolarHBondContact OD1-CD1 3.27Å; Y113-L117 WeakPolarHBondContact O-CB 3.46Å; Y113-L117 WeakPolarHBondContact O-CG 3.38Å; Y113-L117 PolarHBondContact O-N 2.79Å; F115-L117 PolarHBondContact O-N 3Å; L117-T184 HydrophobicContact CD1-CG2 4.04Å; L117-T184 HydrophobicContact CD2-CG2 4.25Å |
| 118 | T | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 5.1 Ų | 5.1 | 1% | 0.006 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -111.9 | -48.2 | 168.7 | 53.5 | 0 | 0 | 0 | 0 | 111.4 | P114 F115 V116 L122 V134 L147 | P114-T118 WeakPolarHBondContact O-CG2 3.48Å; P114-T118 PolarHBondContact O-OG1 2.98Å; F115-T118 PolarHBondContact O-N 2.89Å; F115-T118 PolarHBondContact O-OG1 3.03Å; F115-T118 VanDerWaalsContact O-OG1 3.08Å; V116-T118 PolarHBondContact O-N 3.35Å; V116-T118 VanDerWaalsContact O-N 3.1Å; T118-L122 WeakPolarHBondContact O-CB 3.3Å; T118-L122 PolarHBondContact O-N 3.26Å; T118-V134 HydrophobicContact CG2-CG1 3.81Å; T118-L147 HydrophobicContact CG2-CD1 4.46Å |
| 119 | M | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -78.7 | -36.2 | -173.1 | -63.1 | -60.2 | 96.7 | 0 | 0 | 113.3 | L30 M33 I64 F115 V116 L122 V123 V134 L147 L151 | L30-M119 HydrophobicContact CD1-SD 4.22Å; M33-M119 HydrophobicContact CE-SD 4.37Å; I64-M119 HydrophobicContact CD1-CB 3.77Å; I64-M119 HydrophobicContact CG1-CB 4.13Å; I64-M119 HydrophobicContact CG2-CB 4.35Å; F115-M119 HydrophobicContact CD1-CG 4.49Å; F115-M119 HydrophobicContact CD2-CG 3.86Å; F115-M119 HydrophobicContact CE1-CG 4.26Å; F115-M119 HydrophobicContact CE2-CG 3.59Å; F115-M119 HydrophobicContact CE2-SD 4.43Å; F115-M119 HydrophobicContact CG-CG 4.3Å; F115-M119 HydrophobicContact CZ-CG 3.8Å; F115-M119 VanDerWaalsContact O-CB 3.31Å; F115-M119 WeakPolarHBondContact O-CB 3.1Å; F115-M119 WeakPolarHBondContact O-CG 3.33Å; F115-M119 PolarHBondContact O-N 3.08Å; V116-M119 PolarHBondContact O-N 2.76Å; M119-L122 HydrophobicContact CE-CD2 3.93Å; M119-L122 WeakPolarHBondContact O-CB 3.16Å; M119-L122 PolarHBondContact O-N 3.08Å; M119-L122 VanDerWaalsContact O-N 3.12Å; M119-L122 HydrophobicContact SD-CD2 4.05Å; M119-V123 WeakPolarHBondContact O-CG2 3.43Å; M119-V123 PolarHBondContact O-N 2.83Å; M119-V134 HydrophobicContact CE-CG1 4.36Å; M119-V134 HydrophobicContact CE-CG2 4.5Å; M119-L147 HydrophobicContact CE-CD1 4.22Å; M119-L147 HydrophobicContact CE-CD2 3.81Å; M119-L147 HydrophobicContact CG-CD2 4.29Å; M119-L147 HydrophobicContact SD-CD2 3.9Å; M119-L151 HydrophobicContact CE-CD1 4.44Å |
| 120 | Q | 98.8 | Very high | 98.9 | Very high | 2 Ų | 2 | 4.5 Ų | 4.5 | 1% | 0.009 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -64.7 | -45.8 | -178.7 | -160.1 | -172.2 | 14.1 | 0 | 0 | 111.8 | I64 E67 V116 L122 V123 G124 Y410 H411 | I64-Q120 HydrophobicContact CD1-CB 3.59Å; I64-Q120 HydrophobicContact CD1-CG 4.28Å; I64-Q120 VanDerWaalsContact CD1-N 3.34Å; E67-Q120 HydrophobicContact CB-CG 4.18Å; E67-Q120 HydrophobicContact CG-CG 3.78Å; V116-Q120 HydrophobicContact CG1-CB 4.34Å; V116-Q120 WeakPolarHBondContact O-CB 3.47Å; V116-Q120 PolarHBondContact O-N 3.06Å; Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 3.43Å; Q120-V123 PolarHBondContact O-N 2.84Å; Q120-G124 PolarHBondContact O-N 3.46Å; Q120-Y410 HydrophobicContact CB-CE2 4.23Å; Q120-Y410 HydrophobicContact CG-CE2 4.12Å; Q120-Y410 PolarHBondContact OE1-OH 2.98Å; Q120-H411 PolarHBondContact NE2-CD2 3.07Å; Q120-H411 PolarHBondContact NE2-CE1 2.96Å; Q120-H411 PolarHBondContact NE2-NE2 3.1Å; Q120-H411 PolarHBondContact OE1-NE2 2.88Å |
| 121 | P | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -59.9 | -38 | 169.3 | -26.7 | 37.6 | 0 | 0 | 0 | 113.7 | I107 V123 G124 A125 L182 Y410 F419 | I107-P121 HydrophobicContact CD1-CB 3.94Å; I107-P121 HydrophobicContact CG1-CB 4.01Å; I107-P121 HydrophobicContact CG2-CB 3.85Å; I107-P121 HydrophobicContact CG2-CG 4.2Å; P121-V123 PolarHBondContact O-N 2.97Å; P121-G124 PolarHBondContact O-N 2.96Å; P121-A125 PolarHBondContact O-N 3.04Å; P121-L182 HydrophobicContact CB-CD1 4.13Å; P121-L182 HydrophobicContact CB-CD2 4.1Å; P121-L182 HydrophobicContact CG-CD1 4.35Å; P121-L182 HydrophobicContact CG-CD2 3.85Å; P121-Y410 HydrophobicContact CG-CD2 4.33Å; P121-Y410 HydrophobicContact CG-CE2 3.89Å; P121-F419 HydrophobicContact CB-CZ 4.34Å; P121-F419 VanDerWaalsContact O-CE2 3.27Å; P121-F419 WeakPolarHBondContact O-CE2 3.48Å |
| 122 | L | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -64 | -41 | -179.6 | 177.8 | 64.1 | 0 | 0 | 0 | 111.6 | I107 T118 M119 Q120 G124 A125 I126 A132 V134 L151 L155 Y160 | I107-L122 HydrophobicContact CD1-CB 3.94Å; I107-L122 HydrophobicContact CD1-CD1 4.29Å; T118-L122 WeakPolarHBondContact O-CB 3.3Å; T118-L122 PolarHBondContact O-N 3.26Å; M119-L122 HydrophobicContact CE-CD2 3.93Å; M119-L122 WeakPolarHBondContact O-CB 3.16Å; M119-L122 PolarHBondContact O-N 3.08Å; M119-L122 VanDerWaalsContact O-N 3.12Å; M119-L122 HydrophobicContact SD-CD2 4.05Å; Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 3.43Å; L122-G124 VanDerWaalsContact C-N 3.27Å; L122-G124 PolarHBondContact O-N 3.32Å; L122-A125 PolarHBondContact O-N 3.16Å; L122-A125 VanDerWaalsContact O-N 3.14Å; L122-I126 HydrophobicContact CD1-CD1 4.09Å; L122-I126 HydrophobicContact CD1-CG1 4.11Å; L122-I126 HydrophobicContact CD2-CD1 4.38Å; L122-I126 HydrophobicContact CG-CD1 3.81Å; L122-I126 HydrophobicContact CG-CG1 4.29Å; L122-I126 VanDerWaalsContact O-CG1 3.29Å; L122-I126 WeakPolarHBondContact O-CG1 3.41Å; L122-I126 PolarHBondContact O-N 3.18Å; L122-A132 HydrophobicContact CD1-CB 3.61Å; L122-V134 HydrophobicContact CB-CG2 4.34Å; L122-V134 HydrophobicContact CD1-CG2 4.12Å; L122-V134 HydrophobicContact CD2-CG2 4.1Å; L122-V134 HydrophobicContact CG-CG2 4.41Å; L122-L151 HydrophobicContact CD2-CD1 3.77Å; L122-L155 HydrophobicContact CD2-CD1 4.31Å; L122-Y160 HydrophobicContact CD1-CD1 4.26Å |
| 123 | V | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -53.2 | -47.5 | 173 | 167.4 | 0 | 0 | 0 | 0 | 110.5 | L27 L30 E67 I68 M71 M119 Q120 P121 A127 | L27-V123 HydrophobicContact CD2-CB 4.46Å; L27-V123 HydrophobicContact CD2-CG1 3.97Å; L30-V123 HydrophobicContact CD2-CG2 3.56Å; E67-V123 HydrophobicContact CG-CB 4.23Å; E67-V123 HydrophobicContact CG-CG1 3.74Å; I68-V123 HydrophobicContact CD1-CG2 4.34Å; I68-V123 HydrophobicContact CG1-CG1 4.37Å; I68-V123 HydrophobicContact CG1-CG2 3.57Å; M71-V123 HydrophobicContact CB-CG1 4.21Å; M71-V123 HydrophobicContact CG-CG1 3.55Å; M119-V123 WeakPolarHBondContact O-CG2 3.43Å; M119-V123 PolarHBondContact O-N 2.83Å; Q120-V123 PolarHBondContact O-N 2.84Å; P121-V123 PolarHBondContact O-N 2.97Å; V123-A127 VanDerWaalsContact O-CB 3.28Å; V123-A127 WeakPolarHBondContact O-CB 3.38Å; V123-A127 PolarHBondContact O-N 2.92Å |
| 124 | G | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 1.4 Ų | 1.4 | 0% | 0 | 1% | 0.008 | C | C | . | . | H | α-helix | trans | -58.3 | -48.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q120 P121 L122 A127 A128 | Q120-G124 PolarHBondContact O-N 3.46Å; P121-G124 PolarHBondContact O-N 2.96Å; L122-G124 VanDerWaalsContact C-N 3.27Å; L122-G124 PolarHBondContact O-N 3.32Å; G124-A127 PolarHBondContact O-N 3.3Å; G124-A128 WeakPolarHBondContact O-CB 3.49Å; G124-A128 PolarHBondContact O-N 3.13Å |
| 125 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 1.4 Ų | 1.4 | 0% | 0 | 1% | 0.007 | C | C | . | . | H | α-helix | trans | -64.2 | -41.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V105 I107 P121 L122 G129 N130 A132 F419 | V105-A125 HydrophobicContact CB-CB 4.4Å; V105-A125 HydrophobicContact CG1-CB 4.44Å; V105-A125 HydrophobicContact CG2-CB 4.41Å; I107-A125 HydrophobicContact CD1-CB 4.38Å; P121-A125 PolarHBondContact O-N 3.04Å; L122-A125 PolarHBondContact O-N 3.16Å; L122-A125 VanDerWaalsContact O-N 3.14Å; A125-G129 PolarHBondContact O-N 2.92Å; A125-N130 WeakPolarHBondContact O-CB 3.44Å; A125-N130 PolarHBondContact O-N 3.38Å; A125-N130 PolarHBondContact O-ND2 3.15Å; A125-A132 HydrophobicContact CB-CB 4.31Å; A125-F419 HydrophobicContact CB-CD2 4.14Å; A125-F419 HydrophobicContact CB-CE2 4.38Å; A125-F419 HydrophobicContact CB-CG 4.27Å |
| 126 | I | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 1.6 Ų | 1.6 | 0% | 0 | 1% | 0.008 | C | C | . | . | H | α-helix | trans | -61.2 | -49.7 | 173.6 | -67.7 | 167.8 | 0 | 0 | 0 | 110.1 | Q26 L27 L30 L122 A128 G129 L155 Y160 | Q26-I126 HydrophobicContact CB-CG2 3.77Å; L27-I126 HydrophobicContact CD2-CB 4.16Å; L27-I126 HydrophobicContact CD2-CG2 3.9Å; L27-I126 HydrophobicContact CG-CG2 3.91Å; L30-I126 HydrophobicContact CD2-CD1 4.39Å; L122-I126 HydrophobicContact CD1-CD1 4.09Å; L122-I126 HydrophobicContact CD1-CG1 4.11Å; L122-I126 HydrophobicContact CD2-CD1 4.38Å; L122-I126 HydrophobicContact CG-CD1 3.81Å; L122-I126 HydrophobicContact CG-CG1 4.29Å; L122-I126 VanDerWaalsContact O-CG1 3.29Å; L122-I126 WeakPolarHBondContact O-CG1 3.41Å; L122-I126 PolarHBondContact O-N 3.18Å; I126-A128 VanDerWaalsContact C-N 3.31Å; I126-A128 PolarHBondContact O-N 3.02Å; I126-G129 WeakPolarHBondContact O-CA 3.44Å; I126-G129 PolarHBondContact O-N 3.17Å; I126-L155 HydrophobicContact CD1-CD1 4.02Å; I126-Y160 HydrophobicContact CB-CE1 4.41Å; I126-Y160 HydrophobicContact CD1-CE1 4.38Å; I126-Y160 HydrophobicContact CG1-CD1 3.96Å; I126-Y160 HydrophobicContact CG1-CE1 3.46Å; I126-Y160 VanDerWaalsContact CG1-CE1 3.46Å |
| 127 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 1.9 Ų | 1.9 | 0% | 0 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -58.4 | -43.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R23 L27 M71 L75 V123 G124 G129 F416 | R23-A127 WeakPolarHBondContact CD-O 3.26Å; R23-A127 PolarHBondContact NH1-O 3.11Å; L27-A127 HydrophobicContact CD1-CB 4.35Å; M71-A127 HydrophobicContact CE-CB 4.42Å; M71-A127 HydrophobicContact CG-CB 4.26Å; M71-A127 HydrophobicContact SD-CB 3.83Å; L75-A127 HydrophobicContact CD1-CB 4.03Å; L75-A127 WeakPolarHBondContact CD1-O 3.39Å; L75-A127 HydrophobicContact CD2-CB 4.3Å; V123-A127 VanDerWaalsContact O-CB 3.28Å; V123-A127 WeakPolarHBondContact O-CB 3.38Å; V123-A127 PolarHBondContact O-N 2.92Å; G124-A127 PolarHBondContact O-N 3.3Å; A127-G129 PolarHBondContact O-N 3.15Å; A127-F416 HydrophobicContact CB-CD2 4.4Å |
| 128 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -68.6 | -14.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R23 P101 G124 I126 N130 F416 F419 S420 | R23-A128 PolarHBondContact NH1-O 2.55Å; P101-A128 WeakPolarHBondContact CB-O 3.22Å; G124-A128 WeakPolarHBondContact O-CB 3.49Å; G124-A128 PolarHBondContact O-N 3.13Å; I126-A128 VanDerWaalsContact C-N 3.31Å; I126-A128 PolarHBondContact O-N 3.02Å; A128-N130 VanDerWaalsContact CB-ND2 3.28Å; A128-N130 WeakPolarHBondContact CB-ND2 3.35Å; A128-F416 HydrophobicContact CB-CD2 4.23Å; A128-F416 HydrophobicContact CB-CE2 4.47Å; A128-F419 HydrophobicContact CB-CB 3.71Å; A128-F419 WeakPolarHBondContact CB-O 3.24Å; A128-S420 WeakPolarHBondContact CB-OG 3.44Å |
| 129 | G | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.043 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | 21.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | S17 P101 A125 I126 A127 | S17-G129 WeakPolarHBondContact CB-O 3.2Å; S17-G129 PolarHBondContact OG-O 3.39Å; P101-G129 WeakPolarHBondContact CB-O 3.39Å; A125-G129 PolarHBondContact O-N 2.92Å; I126-G129 WeakPolarHBondContact O-CA 3.44Å; I126-G129 PolarHBondContact O-N 3.17Å; A127-G129 PolarHBondContact O-N 3.15Å |
| 130 | N | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.043 | C | C | . | . | trans | -85.1 | 161 | -179.2 | -60.3 | -76.9 | 0 | 0 | 0 | 111.8 | L102 G103 V105 A125 A128 Y160 F419 | L102-N130 PolarHBondContact N-OD1 3.06Å; G103-N130 PolarHBondContact N-OD1 3.37Å; G103-N130 WeakPolarHBondContact O-CA 3.44Å; G103-N130 WeakPolarHBondContact O-CB 3.39Å; V105-N130 HydrophobicContact CG2-CB 3.71Å; A125-N130 WeakPolarHBondContact O-CB 3.44Å; A125-N130 PolarHBondContact O-N 3.38Å; A125-N130 PolarHBondContact O-ND2 3.15Å; A128-N130 VanDerWaalsContact CB-ND2 3.28Å; A128-N130 WeakPolarHBondContact CB-ND2 3.35Å; N130-Y160 WeakPolarHBondContact O-CE1 3.22Å; N130-F419 PolarHBondContact ND2-O 2.87Å | ||
| 131 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 154 | 152.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | L8 F12 G103 V104 V105 L159 | L8-A131 HydrophobicContact CB-CB 4.28Å; F12-A131 HydrophobicContact CB-CB 4.05Å; G103-A131 PolarHBondContact O-N 2.92Å; V104-A131 WeakPolarHBondContact CA-O 3.42Å; V104-A131 HydrophobicContact CG1-CB 4.45Å; V104-A131 HydrophobicContact CG2-CB 4.27Å; V105-A131 PolarHBondContact N-O 3.4Å; A131-L159 CarbonylContact C-O 3.48Å; A131-L159 VanDerWaalsContact CA-O 3.26Å; A131-L159 WeakPolarHBondContact CA-O 3.31Å; A131-L159 HydrophobicContact CB-CD2 3.8Å; A131-L159 WeakPolarHBondContact CB-O 3.27Å |
| 132 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 138.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L8 V105 I107 L122 A125 L159 Y160 A161 | L8-A132 WeakPolarHBondContact CD2-O 3.47Å; V105-A132 CarbonylContact O-C 3.48Å; V105-A132 VanDerWaalsContact O-CA 3.28Å; V105-A132 WeakPolarHBondContact O-CA 3.4Å; I107-A132 HydrophobicContact CD1-CB 4.44Å; L122-A132 HydrophobicContact CD1-CB 3.61Å; A125-A132 HydrophobicContact CB-CB 4.31Å; A132-L159 PolarHBondContact N-O 3.34Å; A132-Y160 HydrophobicContact CB-CD1 4.22Å; A132-Y160 WeakPolarHBondContact O-CA 3.45Å; A132-A161 PolarHBondContact O-N 2.93Å |
| 133 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128.3 | 160.9 | -64.8 | -173.9 | 0 | 0 | 0 | 107.9 | V5 L8 V105 L106 I107 A161 V163 L173 F178 | V5-I133 HydrophobicContact CG2-CD1 3.67Å; L8-I133 HydrophobicContact CD2-CD1 4.04Å; L8-I133 HydrophobicContact CD2-CG1 3.29Å; V105-I133 PolarHBondContact O-N 3.03Å; L106-I133 CarbonylContact C-O 3.52Å; L106-I133 WeakPolarHBondContact CA-O 3.31Å; L106-I133 HydrophobicContact CD1-CB 4.05Å; L106-I133 HydrophobicContact CD1-CG2 3.86Å; I107-I133 PolarHBondContact N-O 2.85Å; I133-A161 WeakPolarHBondContact CA-O 3.39Å; I133-V163 HydrophobicContact CD1-CG2 4.49Å; I133-V163 HydrophobicContact CG2-CB 3.98Å; I133-V163 HydrophobicContact CG2-CG2 3.57Å; I133-L173 HydrophobicContact CD1-CD1 4.34Å; I133-L173 HydrophobicContact CG2-CD2 4.33Å; I133-F178 HydrophobicContact CB-CE1 4.46Å; I133-F178 HydrophobicContact CD1-CE1 3.98Å; I133-F178 HydrophobicContact CD1-CZ 4.22Å; I133-F178 HydrophobicContact CG1-CE1 4.37Å |
| 134 | V | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.012 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.1 | 167.6 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | I107 T118 M119 L122 P136 A161 I162 V163 | I107-V134 HydrophobicContact CB-CG2 4.37Å; I107-V134 HydrophobicContact CD1-CG2 4.24Å; I107-V134 CarbonylContact O-C 3.58Å; I107-V134 WeakPolarHBondContact O-CA 3.45Å; T118-V134 HydrophobicContact CG2-CG1 3.81Å; M119-V134 HydrophobicContact CE-CG1 4.36Å; M119-V134 HydrophobicContact CE-CG2 4.5Å; L122-V134 HydrophobicContact CB-CG2 4.34Å; L122-V134 HydrophobicContact CD1-CG2 4.12Å; L122-V134 HydrophobicContact CD2-CG2 4.1Å; L122-V134 HydrophobicContact CG-CG2 4.41Å; V134-P136 HydrophobicContact CG1-CG 4.37Å; V134-P136 WeakPolarHBondContact O-CD 3.1Å; V134-A161 PolarHBondContact N-O 3.3Å; V134-I162 HydrophobicContact CB-CD1 3.65Å; V134-I162 HydrophobicContact CG1-CD1 4.05Å; V134-I162 HydrophobicContact CG2-CD1 4.36Å; V134-I162 CarbonylContact O-C 3.58Å; V134-I162 WeakPolarHBondContact O-CA 3.14Å; V134-V163 PolarHBondContact O-N 3.42Å |
| 135 | K | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 22.3 Ų | 22.3 | 2% | 0.022 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 97.1 | 171.3 | -166.6 | -79.5 | 151.5 | -169.7 | 0 | 107.4 | L106 I107 I108 G109 E138 V163 G165 T170 L173 | L106-K135 HydrophobicContact CD1-CB 4.43Å; I107-K135 PolarHBondContact O-N 2.8Å; I108-K135 HydrophobicContact CG1-CB 4.33Å; I108-K135 HydrophobicContact CG2-CD 4.19Å; G109-K135 PolarHBondContact N-O 2.84Å; K135-E138 IonicContact NZ-OE2 3.05Å; K135-E138 PolarHBondContact NZ-OE2 3.04Å; K135-V163 WeakPolarHBondContact CA-O 3.29Å; K135-V163 WeakPolarHBondContact CG-O 3.45Å; K135-G165 WeakPolarHBondContact CE-O 3.47Å; K135-G165 PolarHBondContact NZ-O 2.99Å; K135-T170 WeakPolarHBondContact CD-OG1 3.29Å; K135-T170 WeakPolarHBondContact CE-OG1 3.37Å; K135-L173 HydrophobicContact CB-CD2 4.17Å; K135-L173 HydrophobicContact CG-CD2 4.11Å |
| 136 | P | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 3% | 0.026 | 11% | 0.114 | C | C | . | . | trans | -65.4 | 155.1 | 174.6 | -20.5 | 33.8 | 0 | 0 | 0 | 111.6 | V134 A144 L147 I162 N164 | V134-P136 HydrophobicContact CG1-CG 4.37Å; V134-P136 WeakPolarHBondContact O-CD 3.1Å; P136-A144 HydrophobicContact CB-CB 3.71Å; P136-A144 HydrophobicContact CG-CB 4.37Å; P136-L147 HydrophobicContact CG-CD1 4.26Å; P136-I162 HydrophobicContact CG-CG2 3.83Å; P136-N164 WeakPolarHBondContact CD-OD1 3.21Å; P136-N164 WeakPolarHBondContact CG-OD1 3.31Å | ||
| 137 | S | 98.8 | Very high | 98.8 | Very high | 11 Ų | 11 | 23.4 Ų | 23.4 | 8% | 0.077 | 12% | 0.115 | C | C | . | . | trans | -68.2 | 135 | 173.1 | -178.7 | 0 | 0 | 0 | 0 | 111 | W111 L139 S140 | W111-S137 WeakPolarHBondContact CB-OG 3.45Å; S137-L139 PolarHBondContact O-N 2.93Å; S137-L139 PolarHBondContact OG-N 3.43Å; S137-S140 PolarHBondContact O-N 2.93Å | ||
| 138 | E | 98.3 | Very high | 98.8 | Very high | 87 Ų | 87 | 25.1 Ų | 25.1 | 41% | 0.407 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -15.3 | 174.6 | 65.9 | -88.7 | -152.2 | 0 | 0 | 113.4 | K135 | K135-E138 IonicContact NZ-OE2 3.05Å; K135-E138 PolarHBondContact NZ-OE2 3.04Å |
| 139 | L | 98.6 | Very high | 98.8 | Very high | 65 Ų | 65 | 30.2 Ų | 30.2 | 34% | 0.34 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -20.3 | -179.9 | -58.9 | -176.7 | 0 | 0 | 0 | 113.2 | W111 S137 I283 | W111-L139 HydrophobicContact CB-CB 3.82Å; W111-L139 HydrophobicContact CG-CB 4.03Å; W111-L139 HydrophobicContact CG-CD1 4.09Å; S137-L139 PolarHBondContact O-N 2.93Å; S137-L139 PolarHBondContact OG-N 3.43Å; L139-I283 HydrophobicContact CB-CG1 4.27Å |
| 140 | S | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.007 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -110.2 | 69.7 | 173.8 | -57.4 | 0 | 0 | 0 | 0 | 108.9 | D48 W111 S137 N142 T143 A144 | D48-S140 VanDerWaalsContact CG-C 3.48Å; D48-S140 VanDerWaalsContact CG-CA 3.49Å; D48-S140 WeakPolarHBondContact OD2-CA 3.44Å; D48-S140 WeakPolarHBondContact OD2-CB 3.49Å; W111-S140 VanDerWaalsContact CA-OG 3.25Å; W111-S140 WeakPolarHBondContact CA-OG 3.44Å; W111-S140 WeakPolarHBondContact CB-OG 3.47Å; W111-S140 PolarHBondContact O-OG 3.46Å; S137-S140 PolarHBondContact O-N 2.93Å; S140-N142 PolarHBondContact O-N 3.13Å; S140-T143 PolarHBondContact O-N 3.34Å; S140-A144 WeakPolarHBondContact O-CB 3.44Å; S140-A144 PolarHBondContact O-N 3.49Å |
| 141 | E | 98.6 | Very high | 98.8 | Very high | 108 Ų | 108 | 30.3 Ų | 30.3 | 51% | 0.505 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -62.7 | -40.2 | -166.3 | -174.3 | -176.4 | 161.9 | 0 | 0 | 112.6 | D48 A144 K145 | D48-E141 PolarHBondContact OD1-N 2.92Å; E141-A144 PolarHBondContact O-N 2.92Å; E141-K145 HydrophobicContact CG-CD 4.39Å; E141-K145 WeakPolarHBondContact O-CG 3.31Å; E141-K145 PolarHBondContact O-N 2.61Å; E141-K145 WeakPolarHBondContact OE1-CE 3.32Å; E141-K145 IonicContact OE1-NZ 3.81Å; E141-K145 PolarHBondContact OE1-NZ 3.38Å |
| 142 | N | 98.9 | Very high | 98.7 | Very high | 66 Ų | 66 | 32.5 Ų | 32.5 | 35% | 0.353 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68.2 | -43.1 | -178 | -61.3 | -76.6 | 0 | 0 | 0 | 110.2 | A44 A47 D48 S140 A144 K145 I146 | A44-N142 HydrophobicContact CB-CB 4.02Å; A47-N142 HydrophobicContact CB-CB 4.22Å; D48-N142 WeakPolarHBondContact OD1-CB 3.28Å; D48-N142 PolarHBondContact OD1-N 3.44Å; D48-N142 PolarHBondContact OD1-ND2 3.09Å; D48-N142 PolarHBondContact OD2-N 3.28Å; S140-N142 PolarHBondContact O-N 3.13Å; N142-A144 PolarHBondContact O-N 3.3Å; N142-K145 PolarHBondContact O-N 2.91Å; N142-I146 PolarHBondContact O-N 3.15Å |
| 143 | T | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.7 | -41.8 | 175.9 | -51.7 | 0 | 0 | 0 | 0 | 111.2 | D48 P114 S140 K145 I146 L147 | D48-T143 VanDerWaalsContact OD2-CB 3.31Å; D48-T143 WeakPolarHBondContact OD2-CB 3.41Å; D48-T143 PolarHBondContact OD2-N 3.17Å; D48-T143 PolarHBondContact OD2-OG1 3.49Å; P114-T143 HydrophobicContact CB-CG2 3.8Å; P114-T143 HydrophobicContact CG-CG2 3.89Å; P114-T143 WeakPolarHBondContact CG-OG1 3.29Å; S140-T143 PolarHBondContact O-N 3.34Å; T143-K145 VanDerWaalsContact C-N 3.32Å; T143-K145 PolarHBondContact O-N 3.1Å; T143-I146 WeakPolarHBondContact O-CG2 3.42Å; T143-I146 PolarHBondContact O-N 3.19Å; T143-L147 HydrophobicContact CG2-CD1 4.09Å; T143-L147 HydrophobicContact CG2-CG 4.34Å; T143-L147 WeakPolarHBondContact O-CB 3.3Å; T143-L147 VanDerWaalsContact O-CG 3.25Å; T143-L147 WeakPolarHBondContact O-CG 3.33Å; T143-L147 PolarHBondContact O-N 2.87Å |
| 144 | A | 98.8 | Very high | 98.7 | Very high | 7 Ų | 7 | 39 Ų | 39 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.6 | -38.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P136 S140 E141 N142 A148 N164 | P136-A144 HydrophobicContact CB-CB 3.71Å; P136-A144 HydrophobicContact CG-CB 4.37Å; S140-A144 WeakPolarHBondContact O-CB 3.44Å; S140-A144 PolarHBondContact O-N 3.49Å; E141-A144 PolarHBondContact O-N 2.92Å; N142-A144 PolarHBondContact O-N 3.3Å; A144-A148 PolarHBondContact O-N 2.75Å; A144-N164 PolarHBondContact O-ND2 3.21Å |
| 145 | K | 98.8 | Very high | 98.7 | Very high | 111 Ų | 111 | 39.3 Ų | 39.3 | 48% | 0.483 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -67.6 | -51.7 | 176.4 | -74.5 | 172 | -176.3 | 168.6 | 0 | 111.8 | E141 N142 T143 L147 A148 E149 | E141-K145 HydrophobicContact CG-CD 4.39Å; E141-K145 WeakPolarHBondContact O-CG 3.31Å; E141-K145 PolarHBondContact O-N 2.61Å; E141-K145 WeakPolarHBondContact OE1-CE 3.32Å; E141-K145 IonicContact OE1-NZ 3.81Å; E141-K145 PolarHBondContact OE1-NZ 3.38Å; N142-K145 PolarHBondContact O-N 2.91Å; T143-K145 VanDerWaalsContact C-N 3.32Å; T143-K145 PolarHBondContact O-N 3.1Å; K145-L147 VanDerWaalsContact C-N 3.3Å; K145-L147 PolarHBondContact O-N 2.97Å; K145-A148 WeakPolarHBondContact O-CB 3.28Å; K145-A148 PolarHBondContact O-N 2.99Å; K145-A148 VanDerWaalsContact O-N 3.11Å; K145-E149 PolarHBondContact O-N 3.41Å |
| 146 | I | 98.8 | Very high | 98.7 | Very high | 20 Ų | 20 | 40.4 Ų | 40.4 | 10% | 0.103 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.8 | -36.2 | -176.4 | -164.6 | 61 | 0 | 0 | 0 | 111.3 | E40 A44 N142 T143 A148 E149 L150 | E40-I146 HydrophobicContact CB-CD1 4.18Å; E40-I146 HydrophobicContact CB-CG1 4.41Å; A44-I146 HydrophobicContact CB-CB 4.31Å; A44-I146 HydrophobicContact CB-CG2 3.69Å; N142-I146 PolarHBondContact O-N 3.15Å; T143-I146 WeakPolarHBondContact O-CG2 3.42Å; T143-I146 PolarHBondContact O-N 3.19Å; I146-A148 VanDerWaalsContact C-N 3.35Å; I146-A148 PolarHBondContact O-N 2.82Å; I146-E149 PolarHBondContact O-N 3.38Å; I146-L150 HydrophobicContact CD1-CD1 4.03Å; I146-L150 HydrophobicContact CD1-CD2 4.19Å; I146-L150 HydrophobicContact CD1-CG 3.86Å; I146-L150 HydrophobicContact CG1-CD1 3.68Å; I146-L150 HydrophobicContact CG1-CG 3.9Å; I146-L150 WeakPolarHBondContact O-CB 3.49Å; I146-L150 VanDerWaalsContact O-CG 3.28Å; I146-L150 WeakPolarHBondContact O-CG 2.95Å; I146-L150 PolarHBondContact O-N 3.45Å |
| 147 | L | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 173.6 | -73.6 | 176.9 | 0 | 0 | 0 | 112.2 | F115 T118 M119 P136 T143 K145 E149 L151 I162 | F115-L147 HydrophobicContact CD2-CD2 3.87Å; F115-L147 HydrophobicContact CE2-CD2 3.74Å; T118-L147 HydrophobicContact CG2-CD1 4.46Å; M119-L147 HydrophobicContact CE-CD1 4.22Å; M119-L147 HydrophobicContact CE-CD2 3.81Å; M119-L147 HydrophobicContact CG-CD2 4.29Å; M119-L147 HydrophobicContact SD-CD2 3.9Å; P136-L147 HydrophobicContact CG-CD1 4.26Å; T143-L147 HydrophobicContact CG2-CD1 4.09Å; T143-L147 HydrophobicContact CG2-CG 4.34Å; T143-L147 WeakPolarHBondContact O-CB 3.3Å; T143-L147 VanDerWaalsContact O-CG 3.25Å; T143-L147 WeakPolarHBondContact O-CG 3.33Å; T143-L147 PolarHBondContact O-N 2.87Å; K145-L147 VanDerWaalsContact C-N 3.3Å; K145-L147 PolarHBondContact O-N 2.97Å; L147-E149 VanDerWaalsContact C-N 3.3Å; L147-E149 PolarHBondContact O-N 3.4Å; L147-L151 VanDerWaalsContact O-CB 3.23Å; L147-L151 WeakPolarHBondContact O-CB 3.19Å; L147-L151 PolarHBondContact O-N 2.95Å; L147-L151 VanDerWaalsContact O-N 3.1Å; L147-I162 HydrophobicContact CB-CD1 4.34Å; L147-I162 HydrophobicContact CB-CG1 4.48Å |
| 148 | A | 98.7 | Very high | 98.7 | Very high | 35 Ų | 35 | 48 Ų | 48 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.4 | -32.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A144 K145 I146 P152 I162 | A144-A148 PolarHBondContact O-N 2.75Å; K145-A148 WeakPolarHBondContact O-CB 3.28Å; K145-A148 PolarHBondContact O-N 2.99Å; K145-A148 VanDerWaalsContact O-N 3.11Å; I146-A148 VanDerWaalsContact C-N 3.35Å; I146-A148 PolarHBondContact O-N 2.82Å; A148-P152 VanDerWaalsContact O-CD 3.28Å; A148-P152 WeakPolarHBondContact O-CD 3.46Å; A148-P152 WeakPolarHBondContact O-CG 3.33Å; A148-I162 HydrophobicContact CB-CB 4.1Å; A148-I162 HydrophobicContact CB-CG1 4.48Å; A148-I162 HydrophobicContact CB-CG2 3.8Å |
| 149 | E | 98.7 | Very high | 98.7 | Very high | 107 Ų | 107 | 43.9 Ų | 43.9 | 50% | 0.5 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -74.8 | -47.8 | 176.8 | -174.5 | -174.4 | 148.6 | 0 | 0 | 112.2 | R37 K145 I146 L147 Q153 | R37-E149 IonicContact NH2-OE1 2.64Å; K145-E149 PolarHBondContact O-N 3.41Å; I146-E149 PolarHBondContact O-N 3.38Å; L147-E149 VanDerWaalsContact C-N 3.3Å; L147-E149 PolarHBondContact O-N 3.4Å; E149-Q153 PolarHBondContact O-NE2 2.83Å |
| 150 | L | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -79.7 | -43.8 | -170.1 | -65.3 | -174 | 0 | 0 | 0 | 112.9 | M33 R37 I41 I146 P152 Q153 Y154 | M33-L150 HydrophobicContact CG-CB 4.09Å; M33-L150 HydrophobicContact CG-CD1 4.41Å; M33-L150 HydrophobicContact SD-CB 3.86Å; R37-L150 HydrophobicContact CB-CD1 3.64Å; R37-L150 HydrophobicContact CB-CD2 4.3Å; R37-L150 HydrophobicContact CG-CD1 4.07Å; R37-L150 HydrophobicContact CG-CD2 3.92Å; I41-L150 HydrophobicContact CD1-CD1 4.35Å; I41-L150 HydrophobicContact CG1-CD1 4.06Å; I146-L150 HydrophobicContact CD1-CD1 4.03Å; I146-L150 HydrophobicContact CD1-CD2 4.19Å; I146-L150 HydrophobicContact CD1-CG 3.86Å; I146-L150 HydrophobicContact CG1-CD1 3.68Å; I146-L150 HydrophobicContact CG1-CG 3.9Å; I146-L150 WeakPolarHBondContact O-CB 3.49Å; I146-L150 VanDerWaalsContact O-CG 3.28Å; I146-L150 WeakPolarHBondContact O-CG 2.95Å; I146-L150 PolarHBondContact O-N 3.45Å; L150-P152 VanDerWaalsContact C-CD 3.5Å; L150-Q153 WeakPolarHBondContact O-CB 3.37Å; L150-Q153 PolarHBondContact O-N 2.87Å; L150-Y154 WeakPolarHBondContact O-CD2 3.42Å |
| 151 | L | 98.5 | Very high | 98.7 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.7 | -42.8 | -169.9 | -167.6 | 149 | 0 | 0 | 0 | 113.5 | M119 L122 L147 Q153 Y154 L155 Y160 I162 | M119-L151 HydrophobicContact CE-CD1 4.44Å; L122-L151 HydrophobicContact CD2-CD1 3.77Å; L147-L151 VanDerWaalsContact O-CB 3.23Å; L147-L151 WeakPolarHBondContact O-CB 3.19Å; L147-L151 PolarHBondContact O-N 2.95Å; L147-L151 VanDerWaalsContact O-N 3.1Å; L151-Q153 PolarHBondContact O-N 3.26Å; L151-Y154 PolarHBondContact O-N 2.61Å; L151-L155 HydrophobicContact CD1-CD1 4.2Å; L151-L155 HydrophobicContact CD2-CB 4.13Å; L151-L155 HydrophobicContact CD2-CD1 4.12Å; L151-L155 HydrophobicContact CD2-CG 4.45Å; L151-L155 HydrophobicContact CG-CB 4.44Å; L151-L155 HydrophobicContact CG-CD1 3.9Å; L151-L155 HydrophobicContact CG-CG 4.26Å; L151-L155 PolarHBondContact O-N 2.75Å; L151-Y160 WeakPolarHBondContact CD2-O 3.31Å; L151-I162 HydrophobicContact CB-CG1 4.21Å; L151-I162 HydrophobicContact CD1-CD1 3.74Å; L151-I162 HydrophobicContact CD1-CG1 4.26Å |
| 152 | P | 98.5 | Very high | 98.7 | Very high | 47 Ų | 47 | 37.2 Ų | 37.2 | 31% | 0.305 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.3 | -17.5 | 176.5 | -21.4 | 34.6 | 0 | 0 | 0 | 115.4 | A148 L150 Q157 | A148-P152 VanDerWaalsContact O-CD 3.28Å; A148-P152 WeakPolarHBondContact O-CD 3.46Å; A148-P152 WeakPolarHBondContact O-CG 3.33Å; L150-P152 VanDerWaalsContact C-CD 3.5Å; P152-Q157 HydrophobicContact CB-CG 4.02Å; P152-Q157 WeakPolarHBondContact O-CG 3.5Å; P152-Q157 PolarHBondContact O-NE2 2.75Å |
| 153 | Q | 98.8 | Very high | 98.7 | Very high | 106 Ų | 106 | 34.3 Ų | 34.3 | 50% | 0.495 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -80.2 | -22.3 | 179 | -58.3 | 175.3 | 35.7 | 0 | 0 | 112 | E149 L150 L151 | E149-Q153 PolarHBondContact O-NE2 2.83Å; L150-Q153 WeakPolarHBondContact O-CB 3.37Å; L150-Q153 PolarHBondContact O-N 2.87Å; L151-Q153 PolarHBondContact O-N 3.26Å |
| 154 | Y | 98.9 | Very high | 98.7 | Very high | 31 Ų | 31 | 37.2 Ų | 37.2 | 12% | 0.122 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -115.2 | -40.7 | -174.2 | -70 | -93.7 | 0 | 0 | 0 | 113.1 | A29 R32 M33 E36 R37 L150 L151 | A29-Y154 WeakPolarHBondContact CB-O 3.4Å; A29-Y154 WeakPolarHBondContact O-CD1 3.46Å; R32-Y154 HydrophobicContact CB-CD1 4.3Å; R32-Y154 HydrophobicContact CB-CE1 4.23Å; M33-Y154 HydrophobicContact CB-CD1 3.74Å; M33-Y154 HydrophobicContact CB-CD2 3.65Å; M33-Y154 HydrophobicContact CB-CE1 4.09Å; M33-Y154 HydrophobicContact CB-CE2 4.02Å; M33-Y154 HydrophobicContact CB-CG 3.52Å; M33-Y154 HydrophobicContact CG-CD2 3.5Å; M33-Y154 HydrophobicContact CG-CE2 3.79Å; M33-Y154 HydrophobicContact CG-CG 3.92Å; M33-Y154 HydrophobicContact SD-CD2 4.29Å; E36-Y154 WeakPolarHBondContact OE2-CE1 3.47Å; E36-Y154 PolarHBondContact OE2-OH 3.42Å; R37-Y154 HydrophobicContact CG-CE2 4.09Å; R37-Y154 WeakPolarHBondContact CG-OH 3.44Å; L150-Y154 WeakPolarHBondContact O-CD2 3.42Å; L151-Y154 PolarHBondContact O-N 2.61Å |
| 155 | L | 98.9 | Very high | 98.7 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -99 | 161.7 | -175.5 | -58.1 | -167.3 | 0 | 0 | 0 | 112.2 | Q26 A29 L30 L122 I126 L151 Q157 Y160 | Q26-L155 HydrophobicContact CB-CD2 4.46Å; Q26-L155 VanDerWaalsContact O-CD2 3.27Å; Q26-L155 WeakPolarHBondContact O-CD2 3.33Å; A29-L155 HydrophobicContact CB-CD2 4.02Å; L30-L155 HydrophobicContact CB-CD2 4.19Å; L30-L155 HydrophobicContact CD1-CD1 4.49Å; L122-L155 HydrophobicContact CD2-CD1 4.31Å; I126-L155 HydrophobicContact CD1-CD1 4.02Å; L151-L155 HydrophobicContact CD1-CD1 4.2Å; L151-L155 HydrophobicContact CD2-CB 4.13Å; L151-L155 HydrophobicContact CD2-CD1 4.12Å; L151-L155 HydrophobicContact CD2-CG 4.45Å; L151-L155 HydrophobicContact CG-CB 4.44Å; L151-L155 HydrophobicContact CG-CD1 3.9Å; L151-L155 HydrophobicContact CG-CG 4.26Å; L151-L155 PolarHBondContact O-N 2.75Å; L155-Q157 PolarHBondContact O-N 3.09Å; L155-Q157 VanDerWaalsContact O-N 3.14Å; L155-Y160 HydrophobicContact CB-CD2 3.9Å; L155-Y160 HydrophobicContact CB-CG 4.47Å; L155-Y160 HydrophobicContact CD1-CD2 4.25Å; L155-Y160 HydrophobicContact CD1-CG 4.25Å |
| 156 | D | 98.8 | Very high | 98.6 | Very high | 27 Ų | 27 | 33.3 Ų | 33.3 | 14% | 0.144 | 18% | 0.182 | C | C | . | . | trans | -59.1 | 114.8 | 172 | 179.5 | -54.8 | 0 | 0 | 0 | 111 | R16 F22 D158 L159 Y160 | R16-D156 IonicContact CZ-OD1 2.85Å; R16-D156 IonicContact CZ-OD2 3.11Å; R16-D156 IonicContact NE-OD1 2.61Å; R16-D156 IonicContact NE-OD2 2.83Å; R16-D156 PolarHBondContact NE-OD2 2.74Å; R16-D156 IonicContact NH1-OD2 2.84Å; R16-D156 IonicContact NH2-OD1 3.99Å; R16-D156 PolarHBondContact NH2-OD1 3.3Å; R16-D156 IonicContact NH2-OD2 3.61Å; R16-D156 PolarHBondContact NH2-OD2 2.9Å; R16-D156 VanDerWaalsContact NH2-OD2 3.1Å; F22-D156 HydrophobicContact CZ-CB 3.94Å; D156-D158 VanDerWaalsContact C-N 3.28Å; D156-D158 PolarHBondContact O-N 3.25Å; D156-D158 PolarHBondContact OD1-N 2.82Å; D156-L159 HydrophobicContact CB-CB 4.22Å; D156-L159 HydrophobicContact CB-CD1 4.33Å; D156-L159 PolarHBondContact O-N 3.33Å; D156-L159 PolarHBondContact OD1-N 3.49Å; D156-Y160 HydrophobicContact CB-CD2 4.06Å; D156-Y160 HydrophobicContact CB-CE2 4.08Å; D156-Y160 WeakPolarHBondContact O-CD2 3.48Å; D156-Y160 PolarHBondContact O-N 3.08Å | ||
| 157 | Q | 98.3 | Very high | 98.5 | Very high | 115 Ų | 115 | 38.3 Ų | 38.3 | 54% | 0.537 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -18.1 | -169.1 | -60.1 | -177.7 | 10 | 0 | 0 | 114.8 | R7 P152 L155 | R7-Q157 PolarHBondContact NH1-O 3.24Å; R7-Q157 PolarHBondContact NH2-O 2.87Å; P152-Q157 HydrophobicContact CB-CG 4.02Å; P152-Q157 WeakPolarHBondContact O-CG 3.5Å; P152-Q157 PolarHBondContact O-NE2 2.75Å; L155-Q157 PolarHBondContact O-N 3.09Å; L155-Q157 VanDerWaalsContact O-N 3.14Å |
| 158 | D | 98.5 | Very high | 98.5 | Very high | 60 Ų | 60 | 42.4 Ų | 42.4 | 32% | 0.321 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -11.5 | 175 | -31.5 | -71.1 | 0 | 0 | 0 | 113 | R7 L8 A11 R16 D156 | R7-D158 HydrophobicContact CG-CB 4.02Å; R7-D158 IonicContact NH1-OD1 2.61Å; L8-D158 VanDerWaalsContact CA-O 3.22Å; L8-D158 WeakPolarHBondContact CA-O 3.47Å; L8-D158 VanDerWaalsContact CD1-O 3.22Å; L8-D158 WeakPolarHBondContact CD1-O 3.26Å; L8-D158 WeakPolarHBondContact CG-O 3.37Å; A11-D158 HydrophobicContact CB-CB 3.75Å; A11-D158 VanDerWaalsContact CB-O 3.29Å; A11-D158 WeakPolarHBondContact CB-O 3.2Å; R16-D158 IonicContact CZ-OD2 3.44Å; R16-D158 IonicContact NH1-OD2 3.92Å; R16-D158 IonicContact NH2-OD2 2.62Å; R16-D158 PolarHBondContact NH2-OD2 3.41Å; D156-D158 VanDerWaalsContact C-N 3.28Å; D156-D158 PolarHBondContact O-N 3.25Å; D156-D158 PolarHBondContact OD1-N 2.82Å |
| 159 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -31.7 | 173 | -76.6 | 172.4 | 0 | 0 | 0 | 112.6 | A11 F12 R16 F22 A131 A132 D156 | A11-L159 HydrophobicContact CB-CD2 3.78Å; A11-L159 HydrophobicContact CB-CG 4.07Å; F12-L159 HydrophobicContact CB-CD2 4.43Å; R16-L159 HydrophobicContact CG-CD1 3.73Å; F22-L159 HydrophobicContact CE1-CD1 3.49Å; F22-L159 VanDerWaalsContact CE1-CD1 3.49Å; F22-L159 HydrophobicContact CZ-CD1 3.62Å; A131-L159 CarbonylContact C-O 3.48Å; A131-L159 VanDerWaalsContact CA-O 3.26Å; A131-L159 WeakPolarHBondContact CA-O 3.31Å; A131-L159 HydrophobicContact CB-CD2 3.8Å; A131-L159 WeakPolarHBondContact CB-O 3.27Å; A132-L159 PolarHBondContact N-O 3.34Å; D156-L159 HydrophobicContact CB-CB 4.22Å; D156-L159 HydrophobicContact CB-CD1 4.33Å; D156-L159 PolarHBondContact O-N 3.33Å; D156-L159 PolarHBondContact OD1-N 3.49Å |
| 160 | Y | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 122.4 | -174.2 | -45.2 | -68.7 | 0 | 0 | 0 | 109.6 | Q26 L122 I126 N130 A132 L151 L155 D156 | Q26-Y160 HydrophobicContact CB-CE2 4.3Å; Q26-Y160 HydrophobicContact CG-CE2 3.84Å; L122-Y160 HydrophobicContact CD1-CD1 4.26Å; I126-Y160 HydrophobicContact CB-CE1 4.41Å; I126-Y160 HydrophobicContact CD1-CE1 4.38Å; I126-Y160 HydrophobicContact CG1-CD1 3.96Å; I126-Y160 HydrophobicContact CG1-CE1 3.46Å; I126-Y160 VanDerWaalsContact CG1-CE1 3.46Å; N130-Y160 WeakPolarHBondContact O-CE1 3.22Å; A132-Y160 HydrophobicContact CB-CD1 4.22Å; A132-Y160 WeakPolarHBondContact O-CA 3.45Å; L151-Y160 WeakPolarHBondContact CD2-O 3.31Å; L155-Y160 HydrophobicContact CB-CD2 3.9Å; L155-Y160 HydrophobicContact CB-CG 4.47Å; L155-Y160 HydrophobicContact CD1-CD2 4.25Å; L155-Y160 HydrophobicContact CD1-CG 4.25Å; D156-Y160 HydrophobicContact CB-CD2 4.06Å; D156-Y160 HydrophobicContact CB-CE2 4.08Å; D156-Y160 WeakPolarHBondContact O-CD2 3.48Å; D156-Y160 PolarHBondContact O-N 3.08Å |
| 161 | A | 98.5 | Very high | 98.5 | Very high | 8 Ų | 8 | 43.6 Ų | 43.6 | 7% | 0.066 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 149.5 | -175 | 0 | 0 | 0 | 0 | 0 | 112.2 | L8 A132 I133 V134 | L8-A161 HydrophobicContact CD1-CB 4.06Å; L8-A161 HydrophobicContact CD2-CB 4.2Å; A132-A161 PolarHBondContact O-N 2.93Å; I133-A161 WeakPolarHBondContact CA-O 3.39Å; V134-A161 PolarHBondContact N-O 3.3Å |
| 162 | I | 98.8 | Very high | 98.5 | Very high | 24 Ų | 24 | 47.7 Ų | 47.7 | 12% | 0.123 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 136.4 | 168.1 | -58.1 | -55.3 | 0 | 0 | 0 | 109.5 | V134 P136 L147 A148 L151 | V134-I162 HydrophobicContact CB-CD1 3.65Å; V134-I162 HydrophobicContact CG1-CD1 4.05Å; V134-I162 HydrophobicContact CG2-CD1 4.36Å; V134-I162 CarbonylContact O-C 3.58Å; V134-I162 WeakPolarHBondContact O-CA 3.14Å; P136-I162 HydrophobicContact CG-CG2 3.83Å; L147-I162 HydrophobicContact CB-CD1 4.34Å; L147-I162 HydrophobicContact CB-CG1 4.48Å; A148-I162 HydrophobicContact CB-CB 4.1Å; A148-I162 HydrophobicContact CB-CG1 4.48Å; A148-I162 HydrophobicContact CB-CG2 3.8Å; L151-I162 HydrophobicContact CB-CG1 4.21Å; L151-I162 HydrophobicContact CD1-CD1 3.74Å; L151-I162 HydrophobicContact CD1-CG1 4.26Å |
| 163 | V | 98.6 | Very high | 98.5 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | trans | -122.3 | 105.8 | 168 | 176.1 | 0 | 0 | 0 | 0 | 108.3 | M1 Q4 I133 V134 K135 L173 | M1-V163 HydrophobicContact CE-CG1 3.58Å; M1-V163 HydrophobicContact SD-CG1 3.51Å; M1-V163 VanDerWaalsContact SD-CG1 3.51Å; Q4-V163 VanDerWaalsContact OE1-CG2 3.28Å; I133-V163 HydrophobicContact CD1-CG2 4.49Å; I133-V163 HydrophobicContact CG2-CB 3.98Å; I133-V163 HydrophobicContact CG2-CG2 3.57Å; V134-V163 PolarHBondContact O-N 3.42Å; K135-V163 WeakPolarHBondContact CA-O 3.29Å; K135-V163 WeakPolarHBondContact CG-O 3.45Å; V163-L173 HydrophobicContact CB-CD2 4.33Å; V163-L173 HydrophobicContact CG1-CD2 4.12Å | ||
| 164 | N | 98.8 | Very high | 98.5 | Very high | 64 Ų | 64 | 41 Ų | 41 | 34% | 0.342 | 23% | 0.225 | S | C | . | . | trans | -85.6 | 157.1 | 172.4 | -74.8 | -26 | 0 | 0 | 0 | 111.1 | P136 A144 | P136-N164 WeakPolarHBondContact CD-OD1 3.21Å; P136-N164 WeakPolarHBondContact CG-OD1 3.31Å; A144-N164 PolarHBondContact O-ND2 3.21Å | ||
| 165 | G | 97.9 | Very high | 98.5 | Very high | 21 Ų | 21 | 45 Ų | 45 | 22% | 0.216 | 24% | 0.243 | C | C | . | . | trans | 147.7 | 170.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K135 | K135-G165 WeakPolarHBondContact CE-O 3.47Å; K135-G165 PolarHBondContact NZ-O 2.99Å | ||
| 166 | G | 97.2 | Very high | 98.5 | Very high | 15 Ų | 15 | 46.4 Ų | 46.4 | 16% | 0.155 | 25% | 0.249 | C | C | . | . | trans | -98.3 | -144.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E169 T170 | G166-E169 PolarHBondContact N-OE2 3.29Å; G166-T170 VanDerWaalsContact O-CB 3.31Å; G166-T170 WeakPolarHBondContact O-CB 3.36Å; G166-T170 PolarHBondContact O-N 3.47Å; G166-T170 PolarHBondContact O-OG1 2.6Å | ||
| 167 | I | 98.1 | Very high | 98.5 | Very high | 125 Ų | 125 | 52.3 Ų | 52.3 | 64% | 0.641 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -57.8 | -47.8 | 177.3 | -61.4 | 172.3 | 0 | 0 | 0 | 112.4 | E169 T170 T171 | I167-E169 PolarHBondContact O-N 3.45Å; I167-T170 PolarHBondContact O-N 3.02Å; I167-T171 WeakPolarHBondContact O-CB 3.43Å; I167-T171 PolarHBondContact O-N 3.05Å; I167-T171 PolarHBondContact O-OG1 3.3Å |
| 168 | P | 98.4 | Very high | 98.6 | Very high | 88 Ų | 88 | 47 Ų | 47 | 57% | 0.571 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -59.9 | -47 | -178.4 | -24.1 | 35.5 | 0 | 0 | 0 | 112.6 | T170 T171 E172 | P168-T170 PolarHBondContact O-N 2.65Å; P168-T171 WeakPolarHBondContact O-CB 3.43Å; P168-T171 PolarHBondContact O-N 3.48Å; P168-E172 PolarHBondContact O-N 2.87Å; P168-E172 VanDerWaalsContact O-N 3.07Å |
| 169 | E | 98.7 | Very high | 98.6 | Very high | 76 Ų | 76 | 45.9 Ų | 45.9 | 36% | 0.355 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.8 | -40 | -179.2 | -65.7 | 79.3 | -173.5 | 0 | 0 | 111.7 | M1 G166 I167 T171 E172 L173 | M1-E169 HydrophobicContact CE-CB 4.15Å; M1-E169 HydrophobicContact CE-CG 4.35Å; G166-E169 PolarHBondContact N-OE2 3.29Å; I167-E169 PolarHBondContact O-N 3.45Å; E169-T171 VanDerWaalsContact C-N 3.32Å; E169-E172 PolarHBondContact O-N 3.47Å; E169-L173 VanDerWaalsContact O-CB 3.29Å; E169-L173 WeakPolarHBondContact O-CB 3.32Å; E169-L173 PolarHBondContact O-N 3.11Å |
| 170 | T | 98.7 | Very high | 98.6 | Very high | 23 Ų | 23 | 46.3 Ų | 46.3 | 14% | 0.141 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.2 | -37.6 | 177.4 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | I108 K135 G166 I167 P168 L173 L174 | I108-T170 HydrophobicContact CD1-CG2 4.36Å; K135-T170 WeakPolarHBondContact CD-OG1 3.29Å; K135-T170 WeakPolarHBondContact CE-OG1 3.37Å; G166-T170 VanDerWaalsContact O-CB 3.31Å; G166-T170 WeakPolarHBondContact O-CB 3.36Å; G166-T170 PolarHBondContact O-N 3.47Å; G166-T170 PolarHBondContact O-OG1 2.6Å; I167-T170 PolarHBondContact O-N 3.02Å; P168-T170 PolarHBondContact O-N 2.65Å; T170-L173 PolarHBondContact O-N 2.98Å; T170-L174 HydrophobicContact CG2-CD1 4.03Å; T170-L174 HydrophobicContact CG2-CG 4.38Å; T170-L174 WeakPolarHBondContact O-CB 3.42Å; T170-L174 VanDerWaalsContact O-CG 3.32Å; T170-L174 WeakPolarHBondContact O-CG 3.49Å; T170-L174 PolarHBondContact O-N 3.32Å |
| 171 | T | 98.5 | Very high | 98.6 | Very high | 69 Ų | 69 | 46.4 Ų | 46.4 | 42% | 0.423 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.7 | -45.4 | 174.8 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | I167 P168 E169 L174 K175 | I167-T171 WeakPolarHBondContact O-CB 3.43Å; I167-T171 PolarHBondContact O-N 3.05Å; I167-T171 PolarHBondContact O-OG1 3.3Å; P168-T171 WeakPolarHBondContact O-CB 3.43Å; P168-T171 PolarHBondContact O-N 3.48Å; E169-T171 VanDerWaalsContact C-N 3.32Å; T171-L174 PolarHBondContact O-N 2.68Å; T171-K175 PolarHBondContact O-N 3Å |
| 172 | E | 98.7 | Very high | 98.6 | Very high | 87 Ų | 87 | 46 Ų | 46 | 41% | 0.407 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.3 | -34.2 | 175.6 | -66.8 | -50.8 | 132.4 | 0 | 0 | 113.1 | M1 P168 E169 K175 Q176 | M1-E172 HydrophobicContact CG-CB 4.12Å; P168-E172 PolarHBondContact O-N 2.87Å; P168-E172 VanDerWaalsContact O-N 3.07Å; E169-E172 PolarHBondContact O-N 3.47Å; E172-K175 PolarHBondContact O-N 2.65Å; E172-K175 WeakPolarHBondContact OE1-CE 3.47Å; E172-K175 IonicContact OE1-NZ 3.72Å; E172-K175 PolarHBondContact OE1-NZ 3.06Å; E172-K175 WeakPolarHBondContact OE2-CD 3.47Å; E172-K175 WeakPolarHBondContact OE2-CE 3.47Å; E172-K175 IonicContact OE2-NZ 3.56Å; E172-K175 PolarHBondContact OE2-NZ 3.19Å; E172-Q176 PolarHBondContact O-NE2 3.43Å; E172-Q176 VanDerWaalsContact O-NE2 3.14Å |
| 173 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.3 | -43.3 | 176.4 | -172.7 | 61.9 | 0 | 0 | 0 | 111.1 | M1 V5 L106 I133 K135 V163 E169 T170 K175 Q176 F178 | M1-L173 HydrophobicContact CB-CD1 4.35Å; M1-L173 HydrophobicContact CG-CB 4.35Å; M1-L173 HydrophobicContact CG-CD1 4.44Å; M1-L173 HydrophobicContact SD-CB 4.47Å; M1-L173 HydrophobicContact SD-CD1 4.05Å; V5-L173 HydrophobicContact CG2-CD1 4.22Å; L106-L173 HydrophobicContact CD1-CD2 3.63Å; L106-L173 HydrophobicContact CD1-CG 4.24Å; L106-L173 HydrophobicContact CD2-CD2 4.37Å; L106-L173 HydrophobicContact CD2-CG 4.35Å; I133-L173 HydrophobicContact CD1-CD1 4.34Å; I133-L173 HydrophobicContact CG2-CD2 4.33Å; K135-L173 HydrophobicContact CB-CD2 4.17Å; K135-L173 HydrophobicContact CG-CD2 4.11Å; V163-L173 HydrophobicContact CB-CD2 4.33Å; V163-L173 HydrophobicContact CG1-CD2 4.12Å; E169-L173 VanDerWaalsContact O-CB 3.29Å; E169-L173 WeakPolarHBondContact O-CB 3.32Å; E169-L173 PolarHBondContact O-N 3.11Å; T170-L173 PolarHBondContact O-N 2.98Å; L173-K175 PolarHBondContact O-N 3.27Å; L173-Q176 VanDerWaalsContact O-CB 3.26Å; L173-Q176 WeakPolarHBondContact O-CB 3.41Å; L173-Q176 VanDerWaalsContact O-CG 3.25Å; L173-Q176 WeakPolarHBondContact O-CG 2.93Å; L173-Q176 PolarHBondContact O-N 3.09Å; L173-F178 HydrophobicContact CD1-CE2 4.44Å; L173-F178 HydrophobicContact CD1-CZ 3.88Å; L173-F178 HydrophobicContact CG-CE2 4.41Å; L173-F178 HydrophobicContact CG-CZ 4.2Å; L173-F178 WeakPolarHBondContact O-CE2 3.17Å |
| 174 | L | 98.8 | Very high | 98.7 | Very high | 14 Ų | 14 | 45.8 Ų | 45.8 | 7% | 0.073 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.6 | -17 | 179.7 | -77.3 | 172.1 | 0 | 0 | 0 | 114.1 | L106 I108 T170 T171 Q176 I181 V193 A196 | L106-L174 HydrophobicContact CD2-CD2 3.94Å; I108-L174 HydrophobicContact CD1-CD2 4.09Å; T170-L174 HydrophobicContact CG2-CD1 4.03Å; T170-L174 HydrophobicContact CG2-CG 4.38Å; T170-L174 WeakPolarHBondContact O-CB 3.42Å; T170-L174 VanDerWaalsContact O-CG 3.32Å; T170-L174 WeakPolarHBondContact O-CG 3.49Å; T170-L174 PolarHBondContact O-N 3.32Å; T171-L174 PolarHBondContact O-N 2.68Å; L174-Q176 PolarHBondContact O-N 2.93Å; L174-I181 HydrophobicContact CD2-CD1 4.09Å; L174-V193 HydrophobicContact CD1-CG2 4.15Å; L174-V193 HydrophobicContact CD2-CG1 4.35Å; L174-A196 HydrophobicContact CB-CB 3.85Å; L174-A196 HydrophobicContact CD1-CB 4.48Å; L174-A196 HydrophobicContact CD2-CB 4.42Å; L174-A196 HydrophobicContact CG-CB 4.49Å |
| 175 | K | 98.8 | Very high | 98.6 | Very high | 114 Ų | 114 | 43.6 Ų | 43.6 | 50% | 0.496 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -23.6 | 170.1 | -66 | 176.3 | -168.8 | 170.7 | 0 | 112.5 | T171 E172 L173 H200 | T171-K175 PolarHBondContact O-N 3Å; E172-K175 PolarHBondContact O-N 2.65Å; E172-K175 WeakPolarHBondContact OE1-CE 3.47Å; E172-K175 IonicContact OE1-NZ 3.72Å; E172-K175 PolarHBondContact OE1-NZ 3.06Å; E172-K175 WeakPolarHBondContact OE2-CD 3.47Å; E172-K175 WeakPolarHBondContact OE2-CE 3.47Å; E172-K175 IonicContact OE2-NZ 3.56Å; E172-K175 PolarHBondContact OE2-NZ 3.19Å; L173-K175 PolarHBondContact O-N 3.27Å; K175-H200 PolarHBondContact O-NE2 2.89Å |
| 176 | Q | 98.9 | Very high | 98.7 | Very high | 37 Ų | 37 | 46.1 Ų | 46.1 | 17% | 0.173 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -75.2 | 155 | -177.1 | -47.6 | -52.3 | -54.9 | 0 | 0 | 111 | M1 V5 E172 L173 L174 F178 | M1-Q176 HydrophobicContact CB-CG 4.31Å; V5-Q176 HydrophobicContact CB-CB 4.34Å; V5-Q176 HydrophobicContact CG1-CB 4.23Å; V5-Q176 HydrophobicContact CG2-CB 3.84Å; V5-Q176 HydrophobicContact CG2-CG 3.9Å; E172-Q176 PolarHBondContact O-NE2 3.43Å; E172-Q176 VanDerWaalsContact O-NE2 3.14Å; L173-Q176 VanDerWaalsContact O-CB 3.26Å; L173-Q176 WeakPolarHBondContact O-CB 3.41Å; L173-Q176 VanDerWaalsContact O-CG 3.25Å; L173-Q176 WeakPolarHBondContact O-CG 2.93Å; L173-Q176 PolarHBondContact O-N 3.09Å; L174-Q176 PolarHBondContact O-N 2.93Å; Q176-F178 HydrophobicContact CB-CE2 3.97Å; Q176-F178 HydrophobicContact CB-CZ 4.35Å; Q176-F178 WeakPolarHBondContact O-CD2 3.38Å |
| 177 | R | 98.8 | Very high | 98.7 | Very high | 152 Ų | 152 | 47.6 Ų | 47.6 | 57% | 0.574 | 24% | 0.243 | S | C | * | . | trans | -82.9 | 120.5 | 179.1 | -176 | 171.1 | 178.2 | 176.2 | 2.6 | 110.8 | R9 H200 | R9-R177 PolarHBondContact NH2-O 3.35Å; R177-H200 HydrophobicContact CG-CB 4.2Å | ||
| 178 | F | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | trans | -114.9 | 157.8 | 169.4 | -64.4 | -80.1 | 0 | 0 | 0 | 110.4 | V5 V104 L106 I133 L173 Q176 I181 T202 | V5-F178 HydrophobicContact CG1-CE1 4.41Å; V5-F178 HydrophobicContact CG2-CE1 4.13Å; V5-F178 HydrophobicContact CG2-CZ 3.79Å; V104-F178 HydrophobicContact CB-CD1 4.39Å; V104-F178 HydrophobicContact CG1-CD1 3.92Å; V104-F178 HydrophobicContact CG1-CE1 4.09Å; L106-F178 HydrophobicContact CB-CB 4.47Å; L106-F178 HydrophobicContact CB-CD1 3.69Å; L106-F178 HydrophobicContact CB-CD2 3.97Å; L106-F178 HydrophobicContact CB-CE1 3.81Å; L106-F178 HydrophobicContact CB-CE2 4.09Å; L106-F178 HydrophobicContact CB-CG 3.77Å; L106-F178 HydrophobicContact CB-CZ 4.01Å; L106-F178 HydrophobicContact CD1-CE1 4.48Å; L106-F178 HydrophobicContact CD1-CZ 4.21Å; L106-F178 HydrophobicContact CD2-CD2 3.99Å; L106-F178 HydrophobicContact CD2-CE2 3.68Å; L106-F178 HydrophobicContact CD2-CZ 4.07Å; L106-F178 HydrophobicContact CG-CE2 4.35Å; L106-F178 HydrophobicContact CG-CZ 4.32Å; I133-F178 HydrophobicContact CB-CE1 4.46Å; I133-F178 HydrophobicContact CD1-CE1 3.98Å; I133-F178 HydrophobicContact CD1-CZ 4.22Å; I133-F178 HydrophobicContact CG1-CE1 4.37Å; L173-F178 HydrophobicContact CD1-CE2 4.44Å; L173-F178 HydrophobicContact CD1-CZ 3.88Å; L173-F178 HydrophobicContact CG-CE2 4.41Å; L173-F178 HydrophobicContact CG-CZ 4.2Å; L173-F178 WeakPolarHBondContact O-CE2 3.17Å; Q176-F178 HydrophobicContact CB-CE2 3.97Å; Q176-F178 HydrophobicContact CB-CZ 4.35Å; Q176-F178 WeakPolarHBondContact O-CD2 3.38Å; F178-I181 HydrophobicContact CB-CG1 4Å; F178-I181 HydrophobicContact CD2-CD1 4.42Å; F178-I181 HydrophobicContact CD2-CG1 4.4Å; F178-I181 HydrophobicContact CG-CG1 4.45Å; F178-T202 HydrophobicContact CB-CG2 4.24Å; F178-T202 WeakPolarHBondContact O-CG2 3.41Å; F178-T202 PolarHBondContact O-OG1 3.49Å | ||
| 179 | D | 98.9 | Very high | 98.8 | Very high | 36 Ų | 36 | 43.1 Ų | 43.1 | 19% | 0.193 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -95.2 | -13.5 | 177.6 | -52.6 | -77.5 | 0 | 0 | 0 | 111.4 | R9 L102 G103 V104 P203 | R9-D179 IonicContact CZ-OD2 3.55Å; R9-D179 VanDerWaalsContact CZ-OD2 3.27Å; R9-D179 IonicContact NH1-OD1 3.96Å; R9-D179 PolarHBondContact NH1-OD1 3.39Å; R9-D179 IonicContact NH1-OD2 3.74Å; R9-D179 PolarHBondContact NH1-OD2 2.75Å; R9-D179 IonicContact NH2-OD1 3.97Å; R9-D179 IonicContact NH2-OD2 2.92Å; R9-D179 PolarHBondContact NH2-OD2 2.9Å; L102-D179 HydrophobicContact CB-CB 4.07Å; L102-D179 WeakPolarHBondContact O-CB 3.41Å; G103-D179 WeakPolarHBondContact CA-OD2 3.27Å; V104-D179 PolarHBondContact N-OD2 3.25Å; V104-D179 PolarHBondContact O-N 2.93Å; D179-P203 WeakPolarHBondContact O-CD 3.18Å; D179-P203 WeakPolarHBondContact O-CG 3.4Å |
| 180 | H | 99 | Very high | 98.8 | Very high | 10 Ų | 10 | 39.5 Ų | 39.5 | 5% | 0.046 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 150.4 | 164.4 | -160.5 | 88.8 | 0 | 0 | 0 | 110.3 | L102 V105 L106 P203 T205 F419 | L102-H180 HydrophobicContact CD1-CB 3.75Å; V105-H180 WeakPolarHBondContact CA-O 3.15Å; V105-H180 HydrophobicContact CG1-CB 4.38Å; V105-H180 HydrophobicContact CG2-CB 4.13Å; L106-H180 PolarHBondContact N-O 3.01Å; H180-P203 WeakPolarHBondContact CA-O 3.23Å; H180-P203 WeakPolarHBondContact ND1-CG 3.4Å; H180-T205 PolarHBondContact NE2-N 2.93Å; H180-T205 PolarHBondContact NE2-OG1 3.03Å; H180-F419 AromaticContact CD2-CD1 3.89Å; H180-F419 AromaticContact CD2-CE1 3.69Å |
| 181 | I | 99 | Very high | 98.8 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.015 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 120.7 | 170.8 | -56.8 | 171 | 0 | 0 | 0 | 109.2 | L106 I108 L174 F178 V193 A197 T202 P203 V204 T205 | L106-I181 HydrophobicContact CB-CG1 4.15Å; L106-I181 HydrophobicContact CB-CG2 4.34Å; L106-I181 HydrophobicContact CD2-CG1 4.4Å; L106-I181 HydrophobicContact CD2-CG2 4.16Å; L106-I181 HydrophobicContact CG-CG2 4.33Å; L106-I181 CarbonylContact O-C 3.5Å; L106-I181 WeakPolarHBondContact O-CA 3.09Å; I108-I181 HydrophobicContact CD1-CG2 4.43Å; L174-I181 HydrophobicContact CD2-CD1 4.09Å; F178-I181 HydrophobicContact CB-CG1 4Å; F178-I181 HydrophobicContact CD2-CD1 4.42Å; F178-I181 HydrophobicContact CD2-CG1 4.4Å; F178-I181 HydrophobicContact CG-CG1 4.45Å; I181-V193 HydrophobicContact CG2-CG1 3.72Å; I181-A197 HydrophobicContact CD1-CB 4.06Å; I181-T202 HydrophobicContact CD1-CG2 4.1Å; I181-T202 HydrophobicContact CG1-CG2 3.83Å; I181-P203 PolarHBondContact N-O 3.07Å; I181-V204 HydrophobicContact CB-CG1 4.29Å; I181-V204 CarbonylContact O-C 3.55Å; I181-V204 WeakPolarHBondContact O-CA 3.48Å; I181-T205 PolarHBondContact O-N 2.8Å |
| 182 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 125.7 | 166.4 | -172.1 | 147.3 | 0 | 0 | 0 | 109.2 | L106 I107 I108 P121 T205 Y410 F419 | L106-L182 PolarHBondContact O-N 3.47Å; I107-L182 CarbonylContact C-O 3.55Å; I107-L182 WeakPolarHBondContact CA-O 3.45Å; I108-L182 PolarHBondContact N-O 2.89Å; P121-L182 HydrophobicContact CB-CD1 4.13Å; P121-L182 HydrophobicContact CB-CD2 4.1Å; P121-L182 HydrophobicContact CG-CD1 4.35Å; P121-L182 HydrophobicContact CG-CD2 3.85Å; L182-T205 CarbonylContact C-O 3.6Å; L182-T205 WeakPolarHBondContact CA-O 3.48Å; L182-T205 HydrophobicContact CD1-CG2 3.77Å; L182-T205 HydrophobicContact CG-CG2 4.08Å; L182-Y410 HydrophobicContact CD1-CD1 4.45Å; L182-Y410 HydrophobicContact CD1-CG 4.31Å; L182-F419 HydrophobicContact CB-CE1 4.21Å; L182-F419 HydrophobicContact CB-CZ 4.21Å; L182-F419 HydrophobicContact CD1-CE1 4.35Å; L182-F419 HydrophobicContact CD1-CZ 3.7Å |
| 183 | Y | 98.9 | Very high | 98.8 | Very high | 16 Ų | 16 | 42.7 Ų | 42.7 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 129 | 176.6 | 168.8 | -99.6 | 0 | 0 | 0 | 110.2 | I108 G185 N186 V189 V193 T205 L206 E207 L208 | I108-Y183 HydrophobicContact CB-CD2 3.82Å; I108-Y183 HydrophobicContact CD1-CD2 4.27Å; I108-Y183 HydrophobicContact CG2-CD2 3.7Å; I108-Y183 HydrophobicContact CG2-CE2 4.05Å; Y183-G185 WeakPolarHBondContact OH-CA 3.4Å; Y183-N186 PolarHBondContact OH-N 3.12Å; Y183-N186 VanDerWaalsContact OH-N 3.1Å; Y183-V189 HydrophobicContact CE1-CB 4.38Å; Y183-V189 HydrophobicContact CE1-CG1 4.3Å; Y183-V189 HydrophobicContact CE2-CG1 3.72Å; Y183-V189 VanDerWaalsContact OH-CB 3.29Å; Y183-V189 WeakPolarHBondContact OH-CB 3.47Å; Y183-V189 WeakPolarHBondContact OH-CG1 3.45Å; Y183-V193 HydrophobicContact CD1-CG2 4.47Å; Y183-V193 HydrophobicContact CD2-CG2 3.91Å; Y183-V193 HydrophobicContact CE2-CG2 4.46Å; Y183-V193 HydrophobicContact CG-CG2 3.94Å; Y183-T205 PolarHBondContact N-O 3.41Å; Y183-L206 HydrophobicContact CD1-CD2 4.27Å; Y183-L206 WeakPolarHBondContact O-CA 3.42Å; Y183-E207 PolarHBondContact O-N 3.39Å; Y183-L208 HydrophobicContact CD1-CD2 3.8Å; Y183-L208 HydrophobicContact CE1-CD2 3.64Å |
| 184 | T | 98.9 | Very high | 98.8 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 5% | 0.049 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.6 | 167.8 | -52.5 | 0 | 0 | 0 | 0 | 110.3 | I108 A110 L117 E207 | I108-T184 PolarHBondContact O-N 3.43Å; A110-T184 HydrophobicContact CB-CG2 4.09Å; L117-T184 HydrophobicContact CD1-CG2 4.04Å; L117-T184 HydrophobicContact CD2-CG2 4.25Å; T184-E207 CarbonylContact C-O 3.55Å; T184-E207 VanDerWaalsContact CA-O 3.26Å; T184-E207 WeakPolarHBondContact CA-O 3.27Å; T184-E207 HydrophobicContact CG2-CB 3.95Å |
| 185 | G | 98.4 | Very high | 98.8 | Very high | 19 Ų | 19 | 52 Ų | 52 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 164.1 | -126 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y183 E207 L208 | Y183-G185 WeakPolarHBondContact OH-CA 3.4Å; G185-E207 PolarHBondContact N-O 3.14Å; G185-L208 WeakPolarHBondContact O-CA 3.47Å |
| 186 | N | 98.5 | Very high | 98.8 | Very high | 73 Ų | 73 | 47.6 Ų | 47.6 | 39% | 0.39 | 25% | 0.248 | S | C | . | . | trans | -112.7 | 156 | -172.1 | 69.4 | 76.8 | 0 | 0 | 0 | 112.7 | Y183 A188 V189 G190 | Y183-N186 PolarHBondContact OH-N 3.12Å; Y183-N186 VanDerWaalsContact OH-N 3.1Å; N186-A188 VanDerWaalsContact C-N 3.3Å; N186-A188 PolarHBondContact O-N 3.09Å; N186-A188 WeakPolarHBondContact OD1-CB 3.3Å; N186-A188 PolarHBondContact OD1-N 2.83Å; N186-V189 PolarHBondContact O-N 2.91Å; N186-V189 PolarHBondContact OD1-N 3.16Å; N186-G190 PolarHBondContact O-N 2.86Å | ||
| 187 | T | 98.4 | Very high | 98.8 | Very high | 47 Ų | 47 | 46 Ų | 46 | 29% | 0.288 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.3 | -36.7 | -175.7 | -50.3 | 0 | 0 | 0 | 0 | 113.9 | G190 K191 A404 | T187-G190 PolarHBondContact O-N 3.47Å; T187-K191 WeakPolarHBondContact O-CG 3.47Å; T187-K191 PolarHBondContact O-N 2.75Å; T187-A404 HydrophobicContact CG2-CB 4.46Å; T187-A404 PolarHBondContact OG1-O 3.34Å; T187-A404 VanDerWaalsContact OG1-O 3.09Å |
| 188 | A | 98.4 | Very high | 98.8 | Very high | 66 Ų | 66 | 41.8 Ų | 41.8 | 55% | 0.545 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.1 | -45.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N186 K191 | N186-A188 VanDerWaalsContact C-N 3.3Å; N186-A188 PolarHBondContact O-N 3.09Å; N186-A188 WeakPolarHBondContact OD1-CB 3.3Å; N186-A188 PolarHBondContact OD1-N 2.83Å; A188-K191 PolarHBondContact O-N 3.05Å |
| 189 | V | 98.7 | Very high | 98.8 | Very high | 52 Ų | 52 | 49 Ų | 49 | 32% | 0.315 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -75.2 | -31.8 | 177.9 | 177.2 | 0 | 0 | 0 | 0 | 111.6 | Y183 N186 K191 I192 V193 | Y183-V189 HydrophobicContact CE1-CB 4.38Å; Y183-V189 HydrophobicContact CE1-CG1 4.3Å; Y183-V189 HydrophobicContact CE2-CG1 3.72Å; Y183-V189 VanDerWaalsContact OH-CB 3.29Å; Y183-V189 WeakPolarHBondContact OH-CB 3.47Å; Y183-V189 WeakPolarHBondContact OH-CG1 3.45Å; N186-V189 PolarHBondContact O-N 2.91Å; N186-V189 PolarHBondContact OD1-N 3.16Å; V189-K191 PolarHBondContact O-N 2.85Å; V189-I192 WeakPolarHBondContact O-CB 3.4Å; V189-I192 PolarHBondContact O-N 3.5Å; V189-V193 HydrophobicContact CG1-CG2 4.31Å; V189-V193 WeakPolarHBondContact O-CG2 3.2Å; V189-V193 PolarHBondContact O-N 2.87Å |
| 190 | G | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.2 | -39.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | N186 T187 V193 M194 | N186-G190 PolarHBondContact O-N 2.86Å; T187-G190 PolarHBondContact O-N 3.47Å; G190-V193 PolarHBondContact O-N 3.32Å; G190-M194 WeakPolarHBondContact O-CB 3.38Å; G190-M194 PolarHBondContact O-N 2.87Å |
| 191 | K | 98.9 | Very high | 98.8 | Very high | 149 Ų | 149 | 57.4 Ų | 57.4 | 65% | 0.648 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.7 | -43.3 | 173.2 | -68.7 | 172.7 | -179.2 | 180 | 0 | 112.3 | T187 A188 V189 M194 E195 | T187-K191 WeakPolarHBondContact O-CG 3.47Å; T187-K191 PolarHBondContact O-N 2.75Å; A188-K191 PolarHBondContact O-N 3.05Å; V189-K191 PolarHBondContact O-N 2.85Å; K191-M194 PolarHBondContact O-N 2.89Å; K191-E195 WeakPolarHBondContact O-CB 3.35Å; K191-E195 PolarHBondContact O-N 2.87Å |
| 192 | I | 98.9 | Very high | 98.8 | Very high | 96 Ų | 96 | 57.9 Ų | 57.9 | 49% | 0.492 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 177.9 | -62.5 | 171.3 | 0 | 0 | 0 | 110.8 | V189 E195 A196 | V189-I192 WeakPolarHBondContact O-CB 3.4Å; V189-I192 PolarHBondContact O-N 3.5Å; I192-E195 PolarHBondContact O-N 2.73Å; I192-A196 PolarHBondContact O-N 3.48Å |
| 193 | V | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 176.5 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | I108 L174 I181 Y183 V189 G190 E195 A196 A197 L206 | I108-V193 HydrophobicContact CD1-CG2 4.28Å; L174-V193 HydrophobicContact CD1-CG2 4.15Å; L174-V193 HydrophobicContact CD2-CG1 4.35Å; I181-V193 HydrophobicContact CG2-CG1 3.72Å; Y183-V193 HydrophobicContact CD1-CG2 4.47Å; Y183-V193 HydrophobicContact CD2-CG2 3.91Å; Y183-V193 HydrophobicContact CE2-CG2 4.46Å; Y183-V193 HydrophobicContact CG-CG2 3.94Å; V189-V193 HydrophobicContact CG1-CG2 4.31Å; V189-V193 WeakPolarHBondContact O-CG2 3.2Å; V189-V193 PolarHBondContact O-N 2.87Å; G190-V193 PolarHBondContact O-N 3.32Å; V193-E195 VanDerWaalsContact C-N 3.35Å; V193-E195 PolarHBondContact O-N 2.66Å; V193-A196 PolarHBondContact O-N 2.98Å; V193-A197 WeakPolarHBondContact O-CB 3.48Å; V193-A197 PolarHBondContact O-N 2.89Å; V193-L206 HydrophobicContact CG1-CD2 4.19Å |
| 194 | M | 98.9 | Very high | 98.8 | Very high | 84 Ų | 84 | 61.2 Ų | 61.2 | 41% | 0.414 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.1 | -37.1 | 179 | -165.1 | 178.2 | -175.2 | 0 | 0 | 112.4 | G190 K191 A197 A198 V204 L206 M407 | G190-M194 WeakPolarHBondContact O-CB 3.38Å; G190-M194 PolarHBondContact O-N 2.87Å; K191-M194 PolarHBondContact O-N 2.89Å; M194-A197 PolarHBondContact O-N 2.86Å; M194-A198 PolarHBondContact O-N 3.49Å; M194-V204 HydrophobicContact CG-CG2 4.2Å; M194-L206 HydrophobicContact CB-CD1 4.32Å; M194-L206 HydrophobicContact SD-CD1 4.45Å; M194-M407 HydrophobicContact CE-CE 3.73Å; M194-M407 HydrophobicContact CE-SD 3.94Å; M194-M407 HydrophobicContact SD-CE 3.76Å; M194-M407 HydrophobicContact SD-SD 4.33Å |
| 195 | E | 98.9 | Very high | 98.8 | Very high | 124 Ų | 124 | 61 Ų | 61 | 58% | 0.579 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63 | -41.9 | 174.8 | -174.8 | -178.5 | 174.3 | 0 | 0 | 112.1 | K191 I192 V193 A198 | K191-E195 WeakPolarHBondContact O-CB 3.35Å; K191-E195 PolarHBondContact O-N 2.87Å; I192-E195 PolarHBondContact O-N 2.73Å; V193-E195 VanDerWaalsContact C-N 3.35Å; V193-E195 PolarHBondContact O-N 2.66Å; E195-A198 WeakPolarHBondContact O-CB 2.93Å; E195-A198 PolarHBondContact O-N 3.1Å |
| 196 | A | 98.9 | Very high | 98.8 | Very high | 23 Ų | 23 | 60.3 Ų | 60.3 | 19% | 0.19 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L174 I192 V193 A198 K199 | L174-A196 HydrophobicContact CB-CB 3.85Å; L174-A196 HydrophobicContact CD1-CB 4.48Å; L174-A196 HydrophobicContact CD2-CB 4.42Å; L174-A196 HydrophobicContact CG-CB 4.49Å; I192-A196 PolarHBondContact O-N 3.48Å; V193-A196 PolarHBondContact O-N 2.98Å; A196-A198 VanDerWaalsContact C-N 3.26Å; A196-A198 PolarHBondContact O-N 3.1Å; A196-K199 WeakPolarHBondContact O-CB 3.28Å; A196-K199 WeakPolarHBondContact O-CG 3.38Å; A196-K199 PolarHBondContact O-N 3.01Å; A196-K199 VanDerWaalsContact O-N 3.15Å |
| 197 | A | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 57 Ų | 57 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.4 | -36.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I181 V193 M194 K199 H200 L201 T202 V204 | I181-A197 HydrophobicContact CD1-CB 4.06Å; V193-A197 WeakPolarHBondContact O-CB 3.48Å; V193-A197 PolarHBondContact O-N 2.89Å; M194-A197 PolarHBondContact O-N 2.86Å; A197-K199 PolarHBondContact O-N 2.84Å; A197-H200 PolarHBondContact O-N 3.48Å; A197-H200 VanDerWaalsContact O-N 3.08Å; A197-L201 PolarHBondContact O-N 3.06Å; A197-L201 VanDerWaalsContact O-N 3.16Å; A197-T202 PolarHBondContact O-N 3.31Å; A197-V204 HydrophobicContact CB-CG1 3.42Å; A197-V204 VanDerWaalsContact CB-CG1 3.42Å |
| 198 | A | 98.9 | Very high | 98.8 | Very high | 63 Ų | 63 | 55.2 Ų | 55.2 | 52% | 0.521 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.4 | -27.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | M194 E195 A196 H200 L201 | M194-A198 PolarHBondContact O-N 3.49Å; E195-A198 WeakPolarHBondContact O-CB 2.93Å; E195-A198 PolarHBondContact O-N 3.1Å; A196-A198 VanDerWaalsContact C-N 3.26Å; A196-A198 PolarHBondContact O-N 3.1Å; A198-H200 PolarHBondContact O-N 3.45Å; A198-L201 PolarHBondContact O-N 3.44Å |
| 199 | K | 98.8 | Very high | 98.8 | Very high | 154 Ų | 154 | 52.1 Ų | 52.1 | 67% | 0.67 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -24.1 | 178 | -53.7 | -56.8 | 178.7 | -172.5 | 0 | 113.1 | A196 A197 | A196-K199 WeakPolarHBondContact O-CB 3.28Å; A196-K199 WeakPolarHBondContact O-CG 3.38Å; A196-K199 PolarHBondContact O-N 3.01Å; A196-K199 VanDerWaalsContact O-N 3.15Å; A197-K199 PolarHBondContact O-N 2.84Å |
| 200 | H | 98.8 | Very high | 98.7 | Very high | 66 Ų | 66 | 50.7 Ų | 50.7 | 31% | 0.306 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | 4.7 | -177.8 | -63.6 | -63.8 | 0 | 0 | 0 | 113.5 | K175 R177 A197 A198 T202 | K175-H200 PolarHBondContact O-NE2 2.89Å; R177-H200 HydrophobicContact CG-CB 4.2Å; A197-H200 PolarHBondContact O-N 3.48Å; A197-H200 VanDerWaalsContact O-N 3.08Å; A198-H200 PolarHBondContact O-N 3.45Å; H200-T202 WeakPolarHBondContact CB-OG1 3.41Å; H200-T202 PolarHBondContact O-N 3.25Å |
| 201 | L | 98.8 | Very high | 98.7 | Very high | 157 Ų | 157 | 52 Ų | 52 | 82% | 0.822 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 36.7 | -169.4 | -57.3 | 176.3 | 0 | 0 | 0 | 112.3 | A197 A198 | A197-L201 PolarHBondContact O-N 3.06Å; A197-L201 VanDerWaalsContact O-N 3.16Å; A198-L201 PolarHBondContact O-N 3.44Å |
| 202 | T | 98.9 | Very high | 98.7 | Very high | 13 Ų | 13 | 44.9 Ų | 44.9 | 8% | 0.08 | 24% | 0.244 | C | C | . | . | trans | -78.9 | 126.1 | -179.1 | -59.2 | 0 | 0 | 0 | 0 | 109.6 | F178 I181 A197 H200 | F178-T202 HydrophobicContact CB-CG2 4.24Å; F178-T202 WeakPolarHBondContact O-CG2 3.41Å; F178-T202 PolarHBondContact O-OG1 3.49Å; I181-T202 HydrophobicContact CD1-CG2 4.1Å; I181-T202 HydrophobicContact CG1-CG2 3.83Å; A197-T202 PolarHBondContact O-N 3.31Å; H200-T202 WeakPolarHBondContact CB-OG1 3.41Å; H200-T202 PolarHBondContact O-N 3.25Å | ||
| 203 | P | 98.9 | Very high | 98.7 | Very high | 65 Ų | 65 | 40.4 Ų | 40.4 | 42% | 0.422 | 22% | 0.221 | S | C | . | . | trans | -64.3 | 149.2 | 171.8 | 27.2 | -33.8 | 0 | 0 | 0 | 111 | D179 H180 I181 | D179-P203 WeakPolarHBondContact O-CD 3.18Å; D179-P203 WeakPolarHBondContact O-CG 3.4Å; H180-P203 WeakPolarHBondContact CA-O 3.23Å; H180-P203 WeakPolarHBondContact ND1-CG 3.4Å; I181-P203 PolarHBondContact N-O 3.07Å | ||
| 204 | V | 98.9 | Very high | 98.7 | Very high | 21 Ų | 21 | 40.3 Ų | 40.3 | 13% | 0.127 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 144.7 | -179.3 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | I181 M194 A197 L206 M407 | I181-V204 HydrophobicContact CB-CG1 4.29Å; I181-V204 CarbonylContact O-C 3.55Å; I181-V204 WeakPolarHBondContact O-CA 3.48Å; M194-V204 HydrophobicContact CG-CG2 4.2Å; A197-V204 HydrophobicContact CB-CG1 3.42Å; A197-V204 VanDerWaalsContact CB-CG1 3.42Å; V204-L206 HydrophobicContact CB-CD2 4.11Å; V204-L206 HydrophobicContact CB-CG 4.22Å; V204-L206 HydrophobicContact CG2-CD1 4.11Å; V204-L206 HydrophobicContact CG2-CD2 4.24Å; V204-L206 HydrophobicContact CG2-CG 3.89Å; V204-M407 HydrophobicContact CG2-CG 4.45Å; V204-M407 HydrophobicContact CG2-SD 3.92Å |
| 205 | T | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 121.1 | 159.4 | -58.6 | 0 | 0 | 0 | 0 | 107.1 | H180 I181 L182 Y183 E207 M407 | H180-T205 PolarHBondContact NE2-N 2.93Å; H180-T205 PolarHBondContact NE2-OG1 3.03Å; I181-T205 PolarHBondContact O-N 2.8Å; L182-T205 CarbonylContact C-O 3.6Å; L182-T205 WeakPolarHBondContact CA-O 3.48Å; L182-T205 HydrophobicContact CD1-CG2 3.77Å; L182-T205 HydrophobicContact CG-CG2 4.08Å; Y183-T205 PolarHBondContact N-O 3.41Å; T205-E207 HydrophobicContact CG2-CG 4.48Å; T205-M407 WeakPolarHBondContact CA-O 3.23Å |
| 206 | L | 98.9 | Very high | 98.7 | Very high | 6 Ų | 6 | 30.8 Ų | 30.8 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 109.7 | -178 | -57.1 | -179.5 | 0 | 0 | 0 | 108.7 | Y183 V193 M194 V204 L208 G406 M407 | Y183-L206 HydrophobicContact CD1-CD2 4.27Å; Y183-L206 WeakPolarHBondContact O-CA 3.42Å; V193-L206 HydrophobicContact CG1-CD2 4.19Å; M194-L206 HydrophobicContact CB-CD1 4.32Å; M194-L206 HydrophobicContact SD-CD1 4.45Å; V204-L206 HydrophobicContact CB-CD2 4.11Å; V204-L206 HydrophobicContact CB-CG 4.22Å; V204-L206 HydrophobicContact CG2-CD1 4.11Å; V204-L206 HydrophobicContact CG2-CD2 4.24Å; V204-L206 HydrophobicContact CG2-CG 3.89Å; L206-L208 HydrophobicContact CB-CD1 4.3Å; L206-L208 HydrophobicContact CB-CD2 4.28Å; L206-L208 HydrophobicContact CB-CG 4.14Å; L206-G406 CarbonylContact O-C 3.5Å; L206-G406 WeakPolarHBondContact O-CA 3.49Å; L206-M407 HydrophobicContact CB-CG 4.24Å; L206-M407 HydrophobicContact CD1-CE 4.43Å; L206-M407 HydrophobicContact CD1-CG 4.22Å; L206-M407 HydrophobicContact CD1-SD 4.48Å; L206-M407 HydrophobicContact CG-CG 4.18Å; L206-M407 PolarHBondContact N-O 3.1Å; L206-M407 PolarHBondContact O-N 3.29Å |
| 207 | E | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 99.8 | 173.8 | -63 | -60.7 | 156 | 0 | 0 | 108.3 | Y183 T184 G185 T205 G400 Y410 | Y183-E207 PolarHBondContact O-N 3.39Å; T184-E207 CarbonylContact C-O 3.55Å; T184-E207 VanDerWaalsContact CA-O 3.26Å; T184-E207 WeakPolarHBondContact CA-O 3.27Å; T184-E207 HydrophobicContact CG2-CB 3.95Å; G185-E207 PolarHBondContact N-O 3.14Å; T205-E207 HydrophobicContact CG2-CG 4.48Å; E207-G400 WeakPolarHBondContact OE1-CA 3.29Å; E207-G400 WeakPolarHBondContact OE2-CA 3.28Å; E207-Y410 HydrophobicContact CG-CD1 4.14Å; E207-Y410 HydrophobicContact CG-CE1 3.84Å |
| 208 | L | 98.8 | Very high | 98.6 | Very high | 9 Ų | 9 | 37.9 Ų | 37.9 | 5% | 0.047 | 20% | 0.198 | C | C | . | . | trans | -111.2 | -176.6 | -172.7 | -46.9 | 172.3 | 0 | 0 | 0 | 110.7 | Y183 G185 L206 A404 S405 | Y183-L208 HydrophobicContact CD1-CD2 3.8Å; Y183-L208 HydrophobicContact CE1-CD2 3.64Å; G185-L208 WeakPolarHBondContact O-CA 3.47Å; L206-L208 HydrophobicContact CB-CD1 4.3Å; L206-L208 HydrophobicContact CB-CD2 4.28Å; L206-L208 HydrophobicContact CB-CG 4.14Å; L208-A404 WeakPolarHBondContact CD1-O 3.22Å; L208-S405 CarbonylContact C-O 3.55Å; L208-S405 WeakPolarHBondContact CA-O 3.45Å; L208-S405 VanDerWaalsContact CB-O 3.3Å; L208-S405 WeakPolarHBondContact CB-O 3.5Å; L208-S405 PolarHBondContact N-O 3.3Å | ||
| 209 | G | 96.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | trans | -97.7 | -154.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S405 | G209-S405 VanDerWaalsContact O-CA 3.26Å; G209-S405 WeakPolarHBondContact O-CA 3.13Å; G209-S405 VanDerWaalsContact O-CB 3.29Å; G209-S405 WeakPolarHBondContact O-CB 3.29Å | ||
| 210 | G | 97.9 | Very high | 98.4 | Very high | 23 Ų | 23 | 32.7 Ų | 32.7 | 24% | 0.237 | 17% | 0.17 | C | C | . | . | trans | 145.5 | 172.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | S212 E331 | G210-S212 PolarHBondContact O-N 2.86Å; G210-E331 PolarHBondContact N-OE2 3.33Å | ||
| 211 | K | 98.9 | Very high | 98.4 | Very high | 28 Ų | 28 | 32.5 Ų | 32.5 | 12% | 0.122 | 17% | 0.171 | C | C | . | . | trans | -92.8 | 93.3 | 178.2 | -61.1 | -179.9 | 71.2 | 67.3 | 0 | 109.4 | P213 D245 Y246 V327 M328 E330 | K211-P213 WeakPolarHBondContact O-CD 3.35Å; K211-D245 HydrophobicContact CB-CB 4.17Å; K211-D245 WeakPolarHBondContact CE-OD1 3.5Å; K211-D245 IonicContact NZ-OD1 3.91Å; K211-D245 PolarHBondContact NZ-OD1 2.93Å; K211-Y246 HydrophobicContact CB-CD1 4.02Å; K211-Y246 HydrophobicContact CB-CE1 3.68Å; K211-Y246 WeakPolarHBondContact O-CE1 3.26Å; K211-V327 PolarHBondContact NZ-O 2.82Å; K211-M328 WeakPolarHBondContact CE-O 3.29Å; K211-E330 WeakPolarHBondContact CD-O 3.31Å; K211-E330 PolarHBondContact NZ-O 3.12Å | ||
| 212 | S | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -67.5 | 108.6 | -179.9 | -61.7 | 0 | 0 | 0 | 0 | 111.4 | G210 C241 A243 D245 A360 | G210-S212 PolarHBondContact O-N 2.86Å; S212-C241 PolarHBondContact OG-O 3.45Å; S212-A243 WeakPolarHBondContact CB-O 3.41Å; S212-D245 PolarHBondContact O-N 3.15Å; S212-A360 VanDerWaalsContact CA-O 3.24Å; S212-A360 WeakPolarHBondContact CA-O 3.37Å; S212-A360 WeakPolarHBondContact CB-O 3.4Å; S212-A360 PolarHBondContact OG-N 3.47Å; S212-A360 PolarHBondContact OG-O 3.47Å | ||
| 213 | P | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 148.8 | -177.3 | 28.8 | -34.4 | 0 | 0 | 0 | 112 | K211 Y246 I352 P358 A360 L361 Y362 | K211-P213 WeakPolarHBondContact O-CD 3.35Å; P213-Y246 HydrophobicContact CB-CE1 4.14Å; P213-Y246 HydrophobicContact CB-CE2 4.09Å; P213-I352 HydrophobicContact CB-CD1 3.98Å; P213-I352 HydrophobicContact CB-CG1 3.95Å; P213-I352 HydrophobicContact CG-CD1 3.9Å; P213-I352 HydrophobicContact CG-CG1 3.94Å; P213-I352 HydrophobicContact CG-CG2 4.3Å; P213-P358 HydrophobicContact CG-CG 4.26Å; P213-A360 WeakPolarHBondContact CD-O 3.25Å; P213-L361 HydrophobicContact CG-CB 4.23Å; P213-L361 HydrophobicContact CG-CD1 4.01Å; P213-L361 HydrophobicContact CG-CG 4.02Å; P213-Y362 PolarHBondContact O-N 3.35Å |
| 214 | C | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 101 | 169.4 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | P244 Y246 I247 L248 Y362 F364 | C214-P244 HydrophobicContact CB-CB 4Å; C214-Y246 WeakPolarHBondContact CB-O 3.17Å; C214-Y246 PolarHBondContact N-O 3.07Å; C214-I247 HydrophobicContact CB-CG1 4.43Å; C214-I247 CarbonylContact O-C 3.43Å; C214-I247 VanDerWaalsContact O-CA 3.31Å; C214-I247 WeakPolarHBondContact O-CA 3.5Å; C214-L248 PolarHBondContact O-N 3.27Å; C214-Y362 CarbonylContact C-O 3.54Å; C214-Y362 WeakPolarHBondContact CA-O 3.36Å; C214-F364 VanDerWaalsContact SG-CE2 3.59Å |
| 215 | Y | 98.9 | Very high | 98.3 | Very high | 7 Ų | 7 | 28.2 Ų | 28.2 | 3% | 0.027 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 129 | 174.2 | -177.8 | -104.3 | 0 | 0 | 0 | 110.9 | D217 L248 V342 V345 A348 Y362 V363 F364 L370 | Y215-D217 HydrophobicContact CE1-CB 3.97Å; Y215-L248 WeakPolarHBondContact CA-O 3.47Å; Y215-L248 HydrophobicContact CD2-CB 3.99Å; Y215-L248 WeakPolarHBondContact CD2-O 3.46Å; Y215-V342 HydrophobicContact CE2-CG2 4.12Å; Y215-V345 HydrophobicContact CE1-CB 4.32Å; Y215-V345 HydrophobicContact CE1-CG2 4.17Å; Y215-V345 PolarHBondContact OH-N 2.81Å; Y215-A348 HydrophobicContact CD2-CB 3.41Å; Y215-A348 VanDerWaalsContact CD2-CB 3.41Å; Y215-A348 HydrophobicContact CE2-CB 3.51Å; Y215-A348 HydrophobicContact CG-CB 4.32Å; Y215-Y362 PolarHBondContact N-O 3.42Å; Y215-V363 HydrophobicContact CD1-CG1 4.07Å; Y215-V363 CarbonylContact O-C 3.59Å; Y215-V363 WeakPolarHBondContact O-CA 3.33Å; Y215-F364 PolarHBondContact O-N 2.95Å; Y215-L370 HydrophobicContact CD1-CD2 4.15Å; Y215-L370 HydrophobicContact CE1-CD1 4.37Å; Y215-L370 HydrophobicContact CE1-CD2 3.81Å |
| 216 | I | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 112.1 | 175.5 | -57.7 | -178.9 | 0 | 0 | 0 | 108.7 | C220 L222 I247 L248 C249 I257 F364 | I216-C220 VanDerWaalsContact CG2-SG 3.56Å; I216-L222 HydrophobicContact CG2-CD2 3.71Å; I216-I247 HydrophobicContact CD1-CD1 3.99Å; I216-I247 HydrophobicContact CD1-CG1 4.33Å; I216-I247 HydrophobicContact CD1-CG2 3.96Å; I216-I247 HydrophobicContact CG1-CG2 4.21Å; I216-L248 PolarHBondContact N-O 2.84Å; I216-C249 HydrophobicContact CB-CB 4.26Å; I216-I257 HydrophobicContact CD1-CD1 4.15Å; I216-I257 HydrophobicContact CG2-CD1 4.47Å; I216-F364 HydrophobicContact CG1-CB 4.35Å; I216-F364 HydrophobicContact CG1-CD2 4.35Å |
| 217 | D | 98.6 | Very high | 98.3 | Very high | 18 Ų | 18 | 33.6 Ų | 33.6 | 10% | 0.096 | 17% | 0.166 | C | C | . | . | trans | -73.1 | 156.3 | 176 | -173.8 | 15.2 | 0 | 0 | 0 | 111.5 | Y215 D219 C220 F364 S365 L370 | Y215-D217 HydrophobicContact CE1-CB 3.97Å; D217-D219 VanDerWaalsContact C-N 3.33Å; D217-C220 PolarHBondContact O-SG 3.49Å; D217-F364 WeakPolarHBondContact CB-O 3.43Å; D217-F364 PolarHBondContact N-O 2.85Å; D217-S365 WeakPolarHBondContact OD2-CB 3.36Å; D217-S365 PolarHBondContact OD2-OG 2.88Å; D217-L370 HydrophobicContact CB-CD1 4.49Å | ||
| 218 | R | 97.1 | Very high | 98.3 | Very high | 156 Ų | 156 | 38 Ų | 38 | 59% | 0.589 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -67 | -36.3 | 173.5 | -168.2 | -169.4 | -57.7 | 179.6 | 4.9 | 111.6 | C220 E250 L253 | R218-C220 VanDerWaalsContact C-N 3.26Å; R218-C220 PolarHBondContact O-N 3.03Å; R218-C220 VanDerWaalsContact O-N 3.1Å; R218-E250 IonicContact CZ-OE1 3.25Å; R218-E250 IonicContact CZ-OE2 3.87Å; R218-E250 IonicContact NE-OE1 3.97Å; R218-E250 IonicContact NE-OE2 2.62Å; R218-E250 PolarHBondContact NE-OE2 3.46Å; R218-E250 IonicContact NH2-OE1 2.64Å; R218-E250 PolarHBondContact NH2-OE1 3.41Å; R218-E250 IonicContact NH2-OE2 2.84Å; R218-E250 PolarHBondContact NH2-OE2 3.4Å; R218-L253 HydrophobicContact CB-CD1 4.39Å; R218-L253 HydrophobicContact CG-CD2 4.28Å |
| 219 | D | 96.3 | Very high | 98.3 | Very high | 88 Ų | 88 | 37.6 Ų | 37.6 | 47% | 0.471 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -84.5 | 67.6 | 173.9 | -175.4 | 24.1 | 0 | 0 | 0 | 110.7 | D217 R366 | D217-D219 VanDerWaalsContact C-N 3.33Å; D219-R366 PolarHBondContact O-N 3.33Å |
| 220 | C | 96.1 | Very high | 98.4 | Very high | 20 Ų | 20 | 37.6 Ų | 37.6 | 14% | 0.135 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -142.7 | 160.2 | 173 | 80.7 | 0 | 0 | 0 | 0 | 112.1 | I216 D217 R218 L222 | I216-C220 VanDerWaalsContact CG2-SG 3.56Å; D217-C220 PolarHBondContact O-SG 3.49Å; R218-C220 VanDerWaalsContact C-N 3.26Å; R218-C220 PolarHBondContact O-N 3.03Å; R218-C220 VanDerWaalsContact O-N 3.1Å; C220-L222 PolarHBondContact O-N 3.37Å; C220-L222 VanDerWaalsContact SG-CD2 3.52Å |
| 221 | D | 98.2 | Very high | 98.5 | Very high | 63 Ų | 63 | 40.2 Ų | 40.2 | 34% | 0.337 | 18% | 0.183 | S | C | . | . | trans | -79.4 | 99.6 | 169.1 | -170.2 | -40.9 | 0 | 0 | 0 | 108.9 | D223 V224 A225 R366 | D221-D223 VanDerWaalsContact C-N 3.28Å; D221-D223 PolarHBondContact O-N 2.78Å; D221-D223 PolarHBondContact OD1-N 2.7Å; D221-D223 VanDerWaalsContact OD1-N 3.15Å; D221-V224 HydrophobicContact CB-CB 4.24Å; D221-V224 HydrophobicContact CB-CG2 4.29Å; D221-V224 PolarHBondContact O-N 2.79Å; D221-V224 PolarHBondContact OD1-N 3.3Å; D221-A225 WeakPolarHBondContact O-CB 3.49Å; D221-A225 PolarHBondContact O-N 2.86Å; D221-R366 IonicContact OD2-NH2 2.67Å | ||
| 222 | L | 98.6 | Very high | 98.5 | Very high | 15 Ų | 15 | 38.9 Ų | 38.9 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.9 | -27.3 | -175.4 | -71.4 | 176 | 0 | 0 | 0 | 113.1 | I216 C220 C226 L253 Q256 I257 K260 | I216-L222 HydrophobicContact CG2-CD2 3.71Å; C220-L222 PolarHBondContact O-N 3.37Å; C220-L222 VanDerWaalsContact SG-CD2 3.52Å; L222-C226 WeakPolarHBondContact O-CB 3.4Å; L222-C226 PolarHBondContact O-N 3.2Å; L222-C226 PolarHBondContact O-SG 3.02Å; L222-L253 HydrophobicContact CD1-CD2 4.22Å; L222-Q256 HydrophobicContact CD1-CB 3.96Å; L222-I257 HydrophobicContact CD2-CG1 4.16Å; L222-K260 HydrophobicContact CB-CD 3.67Å |
| 223 | D | 98.7 | Very high | 98.5 | Very high | 88 Ų | 88 | 38.9 Ų | 38.9 | 47% | 0.471 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -65.4 | -49.4 | 176.7 | -70.5 | -67.1 | 0 | 0 | 0 | 110.2 | D221 R227 K260 | D221-D223 VanDerWaalsContact C-N 3.28Å; D221-D223 PolarHBondContact O-N 2.78Å; D221-D223 PolarHBondContact OD1-N 2.7Å; D221-D223 VanDerWaalsContact OD1-N 3.15Å; D223-R227 VanDerWaalsContact O-CB 3.29Å; D223-R227 WeakPolarHBondContact O-CB 3.32Å; D223-R227 PolarHBondContact O-N 3.46Å; D223-R227 VanDerWaalsContact O-N 3.09Å; D223-K260 IonicContact OD1-NZ 2.74Å; D223-K260 PolarHBondContact OD1-NZ 2.96Å; D223-K260 IonicContact OD2-NZ 3.48Å; D223-K260 PolarHBondContact OD2-NZ 3.25Å |
| 224 | V | 98.8 | Very high | 98.5 | Very high | 61 Ų | 61 | 38.9 Ų | 38.9 | 37% | 0.37 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -65.3 | -45.5 | 177.3 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | D221 R227 R228 | D221-V224 HydrophobicContact CB-CB 4.24Å; D221-V224 HydrophobicContact CB-CG2 4.29Å; D221-V224 PolarHBondContact O-N 2.79Å; D221-V224 PolarHBondContact OD1-N 3.3Å; V224-R227 PolarHBondContact O-N 2.91Å; V224-R228 WeakPolarHBondContact O-CG 3.21Å; V224-R228 PolarHBondContact O-N 3.33Å; V224-R228 VanDerWaalsContact O-N 3.1Å |
| 225 | A | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 2% | 0.017 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.1 | -51.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D221 R227 R228 V229 F364 | D221-A225 WeakPolarHBondContact O-CB 3.49Å; D221-A225 PolarHBondContact O-N 2.86Å; A225-R227 VanDerWaalsContact C-N 3.3Å; A225-R227 PolarHBondContact O-N 3.2Å; A225-R228 PolarHBondContact O-N 2.72Å; A225-V229 WeakPolarHBondContact O-CB 3.49Å; A225-V229 VanDerWaalsContact O-CG2 3.31Å; A225-V229 WeakPolarHBondContact O-CG2 3.47Å; A225-V229 PolarHBondContact O-N 3.14Å; A225-F364 HydrophobicContact CB-CB 4.19Å; A225-F364 HydrophobicContact CB-CD1 3.44Å; A225-F364 VanDerWaalsContact CB-CD1 3.44Å; A225-F364 HydrophobicContact CB-CE1 3.98Å; A225-F364 HydrophobicContact CB-CG 3.92Å |
| 226 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.3 | -37.8 | -179.5 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | L222 V229 A230 K260 I261 | L222-C226 WeakPolarHBondContact O-CB 3.4Å; L222-C226 PolarHBondContact O-N 3.2Å; L222-C226 PolarHBondContact O-SG 3.02Å; C226-V229 PolarHBondContact O-N 2.92Å; C226-A230 WeakPolarHBondContact O-CB 3.2Å; C226-A230 PolarHBondContact O-N 3.2Å; C226-K260 HydrophobicContact CB-CB 3.64Å; C226-I261 HydrophobicContact CB-CG1 3.71Å |
| 227 | R | 98.9 | Very high | 98.4 | Very high | 122 Ų | 122 | 39.2 Ų | 39.2 | 46% | 0.46 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.5 | -44.6 | 177.7 | -173.7 | 176.5 | 168.5 | 85.6 | -0.3 | 112.3 | D223 V224 A225 W231 T264 F268 | D223-R227 VanDerWaalsContact O-CB 3.29Å; D223-R227 WeakPolarHBondContact O-CB 3.32Å; D223-R227 PolarHBondContact O-N 3.46Å; D223-R227 VanDerWaalsContact O-N 3.09Å; V224-R227 PolarHBondContact O-N 2.91Å; A225-R227 VanDerWaalsContact C-N 3.3Å; A225-R227 PolarHBondContact O-N 3.2Å; R227-W231 PolarHBondContact O-N 3.06Å; R227-W231 VanDerWaalsContact O-N 3.1Å; R227-T264 HydrophobicContact CB-CG2 4.29Å; R227-T264 HydrophobicContact CG-CG2 3.9Å; R227-F268 HydrophobicContact CG-CE1 4.47Å; R227-F268 HydrophobicContact CG-CZ 3.95Å |
| 228 | R | 98.9 | Very high | 98.4 | Very high | 96 Ų | 96 | 38.4 Ų | 38.4 | 36% | 0.362 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -65.9 | -45.9 | 176.9 | -72.7 | 173.7 | 173.3 | -179.8 | -1.9 | 112 | V224 A225 A230 W231 G232 F364 N386 D387 V388 | V224-R228 WeakPolarHBondContact O-CG 3.21Å; V224-R228 PolarHBondContact O-N 3.33Å; V224-R228 VanDerWaalsContact O-N 3.1Å; A225-R228 PolarHBondContact O-N 2.72Å; R228-A230 PolarHBondContact O-N 2.91Å; R228-W231 PolarHBondContact O-N 3.39Å; R228-G232 PolarHBondContact O-N 2.88Å; R228-F364 HydrophobicContact CB-CE1 4.17Å; R228-F364 HydrophobicContact CB-CZ 4.18Å; R228-N386 VanDerWaalsContact CD-O 3.3Å; R228-N386 WeakPolarHBondContact CD-O 3.28Å; R228-N386 PolarHBondContact NH1-O 3.19Å; R228-D387 WeakPolarHBondContact CD-OD1 3.33Å; R228-D387 IonicContact CZ-OD2 3.46Å; R228-D387 IonicContact NE-OD2 2.79Å; R228-D387 PolarHBondContact NE-OD2 3.5Å; R228-D387 IonicContact NH1-OD2 3.65Å; R228-V388 WeakPolarHBondContact O-CG2 3.4Å |
| 229 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.6 | -44.7 | 177.1 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | A225 C226 W231 G232 K233 P244 I247 L337 F364 V388 | A225-V229 WeakPolarHBondContact O-CB 3.49Å; A225-V229 VanDerWaalsContact O-CG2 3.31Å; A225-V229 WeakPolarHBondContact O-CG2 3.47Å; A225-V229 PolarHBondContact O-N 3.14Å; C226-V229 PolarHBondContact O-N 2.92Å; V229-W231 VanDerWaalsContact C-N 3.34Å; V229-W231 PolarHBondContact O-N 2.76Å; V229-G232 PolarHBondContact O-N 3.41Å; V229-K233 WeakPolarHBondContact O-CB 3.29Å; V229-K233 PolarHBondContact O-N 3.11Å; V229-P244 HydrophobicContact CG1-CB 4.42Å; V229-P244 HydrophobicContact CG1-CG 4.11Å; V229-I247 HydrophobicContact CG1-CD1 4.17Å; V229-L337 HydrophobicContact CG1-CD2 4.05Å; V229-F364 HydrophobicContact CG2-CD2 4.35Å; V229-F364 HydrophobicContact CG2-CE2 3.61Å; V229-F364 HydrophobicContact CG2-CZ 3.78Å; V229-V388 HydrophobicContact CG2-CG1 4.36Å |
| 230 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.2 | -44.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | C226 R228 K233 Y234 I261 T264 F268 | C226-A230 WeakPolarHBondContact O-CB 3.2Å; C226-A230 PolarHBondContact O-N 3.2Å; R228-A230 PolarHBondContact O-N 2.91Å; A230-K233 PolarHBondContact O-N 3.37Å; A230-Y234 HydrophobicContact CB-CD2 4.13Å; A230-Y234 HydrophobicContact CB-CE2 4.19Å; A230-Y234 WeakPolarHBondContact O-CB 3.38Å; A230-Y234 WeakPolarHBondContact O-CD2 3.45Å; A230-Y234 PolarHBondContact O-N 2.85Å; A230-I261 HydrophobicContact CB-CG2 4.1Å; A230-T264 HydrophobicContact CB-CG2 3.72Å; A230-F268 HydrophobicContact CB-CE2 4.32Å |
| 231 | W | 98.9 | Very high | 98.8 | Very high | 78 Ų | 78 | 27.3 Ų | 27.3 | 30% | 0.295 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -58.7 | -53.7 | 177 | 168.5 | 75.7 | 0 | 0 | 0 | 111.3 | R227 R228 V229 K233 M235 F268 V388 I389 M390 | R227-W231 PolarHBondContact O-N 3.06Å; R227-W231 VanDerWaalsContact O-N 3.1Å; R228-W231 PolarHBondContact O-N 3.39Å; V229-W231 VanDerWaalsContact C-N 3.34Å; V229-W231 PolarHBondContact O-N 2.76Å; W231-K233 VanDerWaalsContact C-N 3.33Å; W231-K233 PolarHBondContact O-N 3.16Å; W231-M235 HydrophobicContact CD2-CE 4.26Å; W231-M235 HydrophobicContact CH2-CE 3.69Å; W231-M235 HydrophobicContact CZ2-CE 3.06Å; W231-M235 VanDerWaalsContact O-CB 3.26Å; W231-M235 WeakPolarHBondContact O-CB 3.33Å; W231-M235 PolarHBondContact O-N 3.26Å; W231-F268 HydrophobicContact CB-CE2 3.77Å; W231-F268 HydrophobicContact CB-CZ 4.05Å; W231-V388 HydrophobicContact CE3-CG2 3.96Å; W231-V388 HydrophobicContact CZ3-CG2 4.09Å; W231-I389 HydrophobicContact CH2-CB 3.94Å; W231-I389 HydrophobicContact CH2-CG1 4.2Å; W231-I389 HydrophobicContact CH2-CG2 4.17Å; W231-I389 HydrophobicContact CZ3-CB 3.82Å; W231-I389 HydrophobicContact CZ3-CG1 3.84Å; W231-M390 HydrophobicContact CH2-CE 3.13Å; W231-M390 HydrophobicContact CZ2-CE 4.09Å; W231-M390 HydrophobicContact CZ3-CE 3.6Å |
| 232 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.3 | -29.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R228 V229 | R228-G232 PolarHBondContact O-N 2.88Å; V229-G232 PolarHBondContact O-N 3.41Å |
| 233 | K | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -73 | -43.3 | 179.3 | 178.4 | 56.8 | 177.7 | -170.4 | 0 | 112.5 | V229 A230 W231 G238 P244 D245 G334 I336 L337 | V229-K233 WeakPolarHBondContact O-CB 3.29Å; V229-K233 PolarHBondContact O-N 3.11Å; A230-K233 PolarHBondContact O-N 3.37Å; W231-K233 VanDerWaalsContact C-N 3.33Å; W231-K233 PolarHBondContact O-N 3.16Å; K233-G238 WeakPolarHBondContact O-CA 3.39Å; K233-G238 PolarHBondContact O-N 3.1Å; K233-P244 HydrophobicContact CB-CG 4.01Å; K233-P244 VanDerWaalsContact CD-O 3.25Å; K233-P244 WeakPolarHBondContact CD-O 3.33Å; K233-P244 PolarHBondContact NZ-O 2.92Å; K233-D245 PolarHBondContact NZ-O 3.1Å; K233-G334 WeakPolarHBondContact CE-O 3.44Å; K233-G334 PolarHBondContact NZ-O 2.76Å; K233-I336 WeakPolarHBondContact CE-O 3.45Å; K233-I336 PolarHBondContact NZ-O 3.36Å; K233-L337 HydrophobicContact CD-CB 4.38Å; K233-L337 HydrophobicContact CD-CD1 4.01Å; K233-L337 HydrophobicContact CG-CB 4.16Å; K233-L337 HydrophobicContact CG-CD1 4.21Å; K233-L337 HydrophobicContact CG-CD2 4.31Å; K233-L337 HydrophobicContact CG-CG 4.47Å |
| 234 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -100.3 | -11.8 | -169 | -58.4 | -56.7 | 0 | 0 | 0 | 113.2 | A230 N236 C237 I261 V265 Y269 P315 I317 P335 | A230-Y234 HydrophobicContact CB-CD2 4.13Å; A230-Y234 HydrophobicContact CB-CE2 4.19Å; A230-Y234 WeakPolarHBondContact O-CB 3.38Å; A230-Y234 WeakPolarHBondContact O-CD2 3.45Å; A230-Y234 PolarHBondContact O-N 2.85Å; Y234-N236 PolarHBondContact O-N 2.67Å; Y234-C237 WeakPolarHBondContact O-CA 3.41Å; Y234-C237 PolarHBondContact O-N 3.19Å; Y234-I261 HydrophobicContact CE2-CG2 3.81Å; Y234-V265 HydrophobicContact CD2-CG2 3.78Å; Y234-V265 HydrophobicContact CE2-CG2 3.56Å; Y234-Y269 WeakPolarHBondContact CB-OH 3.3Å; Y234-P315 HydrophobicContact CD1-CB 3.67Å; Y234-P315 HydrophobicContact CD1-CG 4.16Å; Y234-P315 HydrophobicContact CD2-CB 4.2Å; Y234-P315 HydrophobicContact CE1-CB 3.51Å; Y234-P315 HydrophobicContact CE1-CG 4.47Å; Y234-P315 HydrophobicContact CE2-CB 4.05Å; Y234-P315 HydrophobicContact CG-CB 4.03Å; Y234-P315 HydrophobicContact CG-CG 4.32Å; Y234-I317 WeakPolarHBondContact OH-CG1 3.38Å; Y234-P335 HydrophobicContact CD1-CB 3.87Å; Y234-P335 HydrophobicContact CE1-CB 4.26Å |
| 235 | M | 98.6 | Very high | 98.8 | Very high | 15 Ų | 15 | 17.5 Ų | 17.5 | 7% | 0.074 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -49.3 | 130.4 | 163.3 | 177.7 | -169.9 | -66 | 0 | 0 | 110.5 | H59 Y113 W231 C237 G238 | H59-M235 WeakPolarHBondContact NE2-CE 3.43Å; Y113-M235 PolarHBondContact OH-SD 3.42Å; Y113-M235 VanDerWaalsContact OH-SD 3.41Å; W231-M235 HydrophobicContact CD2-CE 4.26Å; W231-M235 HydrophobicContact CH2-CE 3.69Å; W231-M235 HydrophobicContact CZ2-CE 3.06Å; W231-M235 VanDerWaalsContact O-CB 3.26Å; W231-M235 WeakPolarHBondContact O-CB 3.33Å; W231-M235 PolarHBondContact O-N 3.26Å; M235-C237 PolarHBondContact O-N 3.48Å; M235-G238 PolarHBondContact O-N 2.94Å |
| 236 | N | 98.7 | Very high | 98.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | 58.1 | 29 | 178.8 | -154 | 44.9 | 0 | 0 | 0 | 112.9 | K51 N112 Y234 G238 Q239 E280 | K51-N236 WeakPolarHBondContact CE-OD1 3.17Å; K51-N236 PolarHBondContact NZ-OD1 2.98Å; N112-N236 PolarHBondContact O-ND2 3.11Å; Y234-N236 PolarHBondContact O-N 2.67Å; N236-G238 PolarHBondContact O-N 3.14Å; N236-Q239 PolarHBondContact ND2-O 2.94Å; N236-Q239 VanDerWaalsContact O-CB 3.27Å; N236-Q239 WeakPolarHBondContact O-CB 3.32Å; N236-Q239 WeakPolarHBondContact O-CG 3.39Å; N236-Q239 PolarHBondContact O-N 2.82Å; N236-Q239 VanDerWaalsContact O-N 3.09Å; N236-Q239 PolarHBondContact O-NE2 2.81Å; N236-E280 WeakPolarHBondContact CA-OE2 3.2Å; N236-E280 PolarHBondContact N-OE2 3.38Å |
| 237 | C | 98.6 | Very high | 98.8 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.007 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | 51.9 | 33 | -167.5 | -66.6 | 0 | 0 | 0 | 0 | 114.1 | Y234 M235 Q239 E280 I282 G334 P335 | Y234-C237 WeakPolarHBondContact O-CA 3.41Å; Y234-C237 PolarHBondContact O-N 3.19Å; M235-C237 PolarHBondContact O-N 3.48Å; C237-Q239 PolarHBondContact O-N 2.68Å; C237-E280 PolarHBondContact N-OE2 3.5Å; C237-E280 PolarHBondContact SG-O 2.89Å; C237-I282 HydrophobicContact CB-CD1 4Å; C237-G334 CarbonylContact O-C 3.52Å; C237-G334 WeakPolarHBondContact O-CA 3.32Å; C237-P335 HydrophobicContact CB-CB 4.47Å; C237-P335 HydrophobicContact CB-CG 4.16Å; C237-P335 WeakPolarHBondContact O-CD 2.94Å |
| 238 | G | 98.7 | Very high | 98.8 | Very high | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.01 | 5% | 0.052 | C | C | . | . | G | 310 helix | trans | 69.1 | 13.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | K233 M235 N236 T240 F333 G334 | K233-G238 WeakPolarHBondContact O-CA 3.39Å; K233-G238 PolarHBondContact O-N 3.1Å; M235-G238 PolarHBondContact O-N 2.94Å; N236-G238 PolarHBondContact O-N 3.14Å; G238-T240 PolarHBondContact O-N 3.05Å; G238-F333 CarbonylContact O-C 3.47Å; G238-F333 WeakPolarHBondContact O-CA 3.47Å; G238-G334 PolarHBondContact O-N 3.5Å; G238-G334 VanDerWaalsContact O-N 3.15Å |
| 239 | Q | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.035 | C | C | . | . | trans | -80.4 | 61.3 | 174.7 | -60.1 | 170.6 | 117.6 | 0 | 0 | 109.8 | W111 N112 N236 C237 R281 F333 | W111-Q239 HydrophobicContact CH2-CB 4.05Å; W111-Q239 HydrophobicContact CH2-CG 4.1Å; W111-Q239 HydrophobicContact CZ3-CB 3.99Å; W111-Q239 HydrophobicContact CZ3-CG 4.21Å; N112-Q239 HydrophobicContact CB-CB 4.41Å; N112-Q239 WeakPolarHBondContact CB-O 2.93Å; N112-Q239 PolarHBondContact ND2-O 3.13Å; N236-Q239 PolarHBondContact ND2-O 2.94Å; N236-Q239 VanDerWaalsContact O-CB 3.27Å; N236-Q239 WeakPolarHBondContact O-CB 3.32Å; N236-Q239 WeakPolarHBondContact O-CG 3.39Å; N236-Q239 PolarHBondContact O-N 2.82Å; N236-Q239 VanDerWaalsContact O-N 3.09Å; N236-Q239 PolarHBondContact O-NE2 2.81Å; C237-Q239 PolarHBondContact O-N 2.68Å; Q239-R281 PolarHBondContact NE2-O 3.42Å; Q239-R281 VanDerWaalsContact NE2-O 3.11Å; Q239-F333 VanDerWaalsContact C-CZ 3.47Å; Q239-F333 HydrophobicContact CB-CD1 3.83Å; Q239-F333 HydrophobicContact CB-CE1 3.74Å; Q239-F333 HydrophobicContact CB-CZ 4.5Å; Q239-F333 HydrophobicContact CG-CD1 4.21Å | ||
| 240 | T | 98.8 | Very high | 98.8 | Very high | 11 Ų | 11 | 8.5 Ų | 8.5 | 7% | 0.067 | 4% | 0.041 | C | C | . | . | trans | -144.9 | 124.9 | -171.4 | -52.4 | 0 | 0 | 0 | 0 | 109.6 | Y113 G238 I242 A243 I389 | Y113-T240 HydrophobicContact CE2-CG2 3.82Å; Y113-T240 WeakPolarHBondContact CE2-OG1 3.25Å; Y113-T240 PolarHBondContact OH-OG1 3.16Å; G238-T240 PolarHBondContact O-N 3.05Å; T240-I242 HydrophobicContact CG2-CG1 3.74Å; T240-I242 PolarHBondContact O-N 3.45Å; T240-I242 VanDerWaalsContact O-N 3.13Å; T240-A243 VanDerWaalsContact O-CB 3.32Å; T240-A243 WeakPolarHBondContact O-CB 3.41Å; T240-A243 PolarHBondContact O-N 3.25Å; T240-I389 HydrophobicContact CG2-CD1 4.45Å | ||
| 241 | C | 98.3 | Very high | 98.8 | Very high | 20 Ų | 20 | 11.4 Ų | 11.4 | 14% | 0.135 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -28 | -175.8 | -55 | 0 | 0 | 0 | 0 | 112.9 | S212 L359 | S212-C241 PolarHBondContact OG-O 3.45Å; C241-L359 HydrophobicContact CB-CD2 3.6Å |
| 242 | I | 98.8 | Very high | 98.7 | Very high | 9 Ų | 9 | 11.6 Ų | 11.6 | 5% | 0.046 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 7.7 | 177 | 55.9 | 171.4 | 0 | 0 | 0 | 113.3 | T240 L359 A360 Y362 I389 F392 F399 | T240-I242 HydrophobicContact CG2-CG1 3.74Å; T240-I242 PolarHBondContact O-N 3.45Å; T240-I242 VanDerWaalsContact O-N 3.13Å; I242-L359 HydrophobicContact CG2-CB 4.48Å; I242-L359 HydrophobicContact CG2-CD2 3.5Å; I242-L359 HydrophobicContact CG2-CG 3.75Å; I242-A360 HydrophobicContact CB-CB 4.1Å; I242-A360 HydrophobicContact CG2-CB 3.93Å; I242-Y362 VanDerWaalsContact O-CE2 3.28Å; I242-Y362 WeakPolarHBondContact O-CE2 3.36Å; I242-Y362 VanDerWaalsContact O-CZ 3.3Å; I242-Y362 PolarHBondContact O-OH 3.29Å; I242-I389 HydrophobicContact CB-CD1 4.23Å; I242-I389 HydrophobicContact CD1-CB 4.46Å; I242-I389 HydrophobicContact CD1-CD1 3.98Å; I242-I389 HydrophobicContact CD1-CG2 3.86Å; I242-I389 HydrophobicContact CG1-CD1 3.66Å; I242-I389 WeakPolarHBondContact O-CD1 3.26Å; I242-F392 HydrophobicContact CD1-CB 3.8Å; I242-F392 HydrophobicContact CD1-CD2 4.18Å; I242-F392 HydrophobicContact CD1-CG 4.14Å; I242-F399 HydrophobicContact CD1-CE2 4.44Å; I242-F399 HydrophobicContact CG2-CE2 3.9Å; I242-F399 HydrophobicContact CG2-CZ 4.16Å |
| 243 | A | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 12 Ų | 12 | 4% | 0.041 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -59.3 | 145.1 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | S212 T240 D245 | S212-A243 WeakPolarHBondContact CB-O 3.41Å; T240-A243 VanDerWaalsContact O-CB 3.32Å; T240-A243 WeakPolarHBondContact O-CB 3.41Å; T240-A243 PolarHBondContact O-N 3.25Å; A243-D245 PolarHBondContact O-N 2.94Å |
| 244 | P | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -59.9 | 108.9 | 167.6 | 26.6 | -33.3 | 0 | 0 | 0 | 108.1 | C214 V229 K233 Y362 V388 | C214-P244 HydrophobicContact CB-CB 4Å; V229-P244 HydrophobicContact CG1-CB 4.42Å; V229-P244 HydrophobicContact CG1-CG 4.11Å; K233-P244 HydrophobicContact CB-CG 4.01Å; K233-P244 VanDerWaalsContact CD-O 3.25Å; K233-P244 WeakPolarHBondContact CD-O 3.33Å; K233-P244 PolarHBondContact NZ-O 2.92Å; P244-Y362 HydrophobicContact CB-CD2 4.08Å; P244-Y362 HydrophobicContact CB-CE2 4.32Å; P244-V388 HydrophobicContact CB-CG1 4.42Å; P244-V388 HydrophobicContact CG-CG1 4.28Å | ||
| 245 | D | 98.9 | Very high | 98.6 | Very high | 7 Ų | 7 | 18.7 Ų | 18.7 | 4% | 0.037 | 12% | 0.116 | C | C | . | . | trans | -75.8 | -44.2 | -171.9 | -176 | -90 | 0 | 0 | 0 | 110 | K211 S212 K233 A243 I332 P338 | K211-D245 HydrophobicContact CB-CB 4.17Å; K211-D245 WeakPolarHBondContact CE-OD1 3.5Å; K211-D245 IonicContact NZ-OD1 3.91Å; K211-D245 PolarHBondContact NZ-OD1 2.93Å; S212-D245 PolarHBondContact O-N 3.15Å; K233-D245 PolarHBondContact NZ-O 3.1Å; A243-D245 PolarHBondContact O-N 2.94Å; D245-I332 WeakPolarHBondContact O-CD1 3.31Å; D245-I332 WeakPolarHBondContact OD2-CB 3.39Å; D245-I332 WeakPolarHBondContact OD2-CG1 3.42Å; D245-I332 PolarHBondContact OD2-N 2.9Å; D245-P338 WeakPolarHBondContact O-CD 3.39Å | ||
| 246 | Y | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 158.6 | 177.9 | 65.1 | -82.3 | 0 | 0 | 0 | 112 | K211 P213 C214 L248 M328 P338 F351 | K211-Y246 HydrophobicContact CB-CD1 4.02Å; K211-Y246 HydrophobicContact CB-CE1 3.68Å; K211-Y246 WeakPolarHBondContact O-CE1 3.26Å; P213-Y246 HydrophobicContact CB-CE1 4.14Å; P213-Y246 HydrophobicContact CB-CE2 4.09Å; C214-Y246 WeakPolarHBondContact CB-O 3.17Å; C214-Y246 PolarHBondContact N-O 3.07Å; Y246-L248 HydrophobicContact CD2-CD2 4.25Å; Y246-L248 HydrophobicContact CD2-CG 4.03Å; Y246-L248 HydrophobicContact CE2-CD1 3.86Å; Y246-L248 HydrophobicContact CE2-CD2 3.89Å; Y246-L248 HydrophobicContact CE2-CG 3.62Å; Y246-M328 HydrophobicContact CD1-CE 3.92Å; Y246-M328 HydrophobicContact CD2-CE 3.69Å; Y246-M328 HydrophobicContact CE1-CE 4.21Å; Y246-M328 HydrophobicContact CE2-CE 3.96Å; Y246-M328 HydrophobicContact CG-CE 3.65Å; Y246-M328 HydrophobicContact CG-SD 4.11Å; Y246-P338 WeakPolarHBondContact CA-O 3.39Å; Y246-F351 HydrophobicContact CD2-CE1 4.48Å; Y246-F351 HydrophobicContact CE2-CD1 4.07Å; Y246-F351 AromaticContact CE2-CE1 3.55Å; Y246-F351 HydrophobicContact CE2-CE1 3.55Å; Y246-F351 AromaticContact CZ-CE1 3.85Å |
| 247 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 138.3 | 174.2 | -67.5 | 173.3 | 0 | 0 | 0 | 110.3 | C214 I216 V229 C249 I257 I261 L337 P338 I339 V340 | C214-I247 HydrophobicContact CB-CG1 4.43Å; C214-I247 CarbonylContact O-C 3.43Å; C214-I247 VanDerWaalsContact O-CA 3.31Å; C214-I247 WeakPolarHBondContact O-CA 3.5Å; I216-I247 HydrophobicContact CD1-CD1 3.99Å; I216-I247 HydrophobicContact CD1-CG1 4.33Å; I216-I247 HydrophobicContact CD1-CG2 3.96Å; I216-I247 HydrophobicContact CG1-CG2 4.21Å; V229-I247 HydrophobicContact CG1-CD1 4.17Å; I247-C249 HydrophobicContact CG2-CB 4.04Å; I247-I257 HydrophobicContact CD1-CG2 3.85Å; I247-I257 HydrophobicContact CG2-CD1 4.49Å; I247-I261 HydrophobicContact CD1-CD1 4.16Å; I247-L337 HydrophobicContact CD1-CD1 4.49Å; I247-L337 HydrophobicContact CD1-CD2 3.85Å; I247-L337 HydrophobicContact CD1-CG 4.24Å; I247-L337 HydrophobicContact CG1-CD1 4.2Å; I247-L337 HydrophobicContact CG1-CD2 4.44Å; I247-L337 HydrophobicContact CG1-CG 4.41Å; I247-P338 PolarHBondContact N-O 2.87Å; I247-I339 HydrophobicContact CB-CG1 4.28Å; I247-I339 HydrophobicContact CB-CG2 4.32Å; I247-I339 HydrophobicContact CD1-CG1 4.4Å; I247-I339 HydrophobicContact CG2-CG2 4.11Å; I247-V340 PolarHBondContact O-N 3.08Å |
| 248 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 122 | 162.2 | -66.4 | 169.1 | 0 | 0 | 0 | 108.6 | C214 Y215 I216 Y246 V340 V342 A348 F351 I352 | C214-L248 PolarHBondContact O-N 3.27Å; Y215-L248 WeakPolarHBondContact CA-O 3.47Å; Y215-L248 HydrophobicContact CD2-CB 3.99Å; Y215-L248 WeakPolarHBondContact CD2-O 3.46Å; I216-L248 PolarHBondContact N-O 2.84Å; Y246-L248 HydrophobicContact CD2-CD2 4.25Å; Y246-L248 HydrophobicContact CD2-CG 4.03Å; Y246-L248 HydrophobicContact CE2-CD1 3.86Å; Y246-L248 HydrophobicContact CE2-CD2 3.89Å; Y246-L248 HydrophobicContact CE2-CG 3.62Å; L248-V340 WeakPolarHBondContact CA-O 3.13Å; L248-V340 HydrophobicContact CD2-CB 3.93Å; L248-V340 HydrophobicContact CD2-CG1 4.03Å; L248-V342 HydrophobicContact CB-CG2 4.15Å; L248-V342 HydrophobicContact CD2-CG1 3.8Å; L248-A348 HydrophobicContact CD1-CB 4.28Å; L248-F351 HydrophobicContact CD1-CD1 3.94Å; L248-F351 HydrophobicContact CD1-CG 4.48Å; L248-F351 HydrophobicContact CD2-CD1 3.81Å; L248-F351 HydrophobicContact CD2-CE1 4.01Å; L248-F351 HydrophobicContact CD2-CG 4.11Å; L248-F351 HydrophobicContact CD2-CZ 4.46Å; L248-F351 HydrophobicContact CG-CD1 4.45Å; L248-I352 HydrophobicContact CD1-CD1 4.08Å; L248-I352 HydrophobicContact CD1-CG1 3.87Å |
| 249 | C | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 170.4 | 176.5 | 72.1 | 0 | 0 | 0 | 0 | 110.5 | I216 I247 L253 I257 V340 S341 V342 | I216-C249 HydrophobicContact CB-CB 4.26Å; I247-C249 HydrophobicContact CG2-CB 4.04Å; C249-L253 HydrophobicContact CB-CB 4.44Å; C249-L253 HydrophobicContact CB-CD1 4.24Å; C249-I257 HydrophobicContact CB-CD1 4Å; C249-V340 PolarHBondContact N-O 2.79Å; C249-S341 CarbonylContact O-C 3.57Å; C249-S341 VanDerWaalsContact O-CA 3.26Å; C249-S341 WeakPolarHBondContact O-CA 3.29Å; C249-V342 PolarHBondContact O-N 2.9Å |
| 250 | E | 98.5 | Very high | 98.7 | Very high | 27 Ų | 27 | 29.3 Ų | 29.3 | 13% | 0.126 | 17% | 0.165 | C | C | . | . | trans | -68.8 | 147.1 | 168.5 | -66.3 | 179.7 | 167 | 0 | 0 | 111.9 | R218 S252 L253 V342 | R218-E250 IonicContact CZ-OE1 3.25Å; R218-E250 IonicContact CZ-OE2 3.87Å; R218-E250 IonicContact NE-OE1 3.97Å; R218-E250 IonicContact NE-OE2 2.62Å; R218-E250 PolarHBondContact NE-OE2 3.46Å; R218-E250 IonicContact NH2-OE1 2.64Å; R218-E250 PolarHBondContact NH2-OE1 3.41Å; R218-E250 IonicContact NH2-OE2 2.84Å; R218-E250 PolarHBondContact NH2-OE2 3.4Å; E250-S252 PolarHBondContact O-N 3.25Å; E250-S252 VanDerWaalsContact O-N 3.14Å; E250-L253 HydrophobicContact CB-CD1 4.49Å; E250-L253 HydrophobicContact CB-CG 4.46Å; E250-L253 WeakPolarHBondContact O-CB 3.2Å; E250-L253 PolarHBondContact O-N 3.36Å; E250-V342 VanDerWaalsContact CA-O 3.28Å; E250-V342 WeakPolarHBondContact CA-O 3.24Å | ||
| 251 | A | 98.3 | Very high | 98.7 | Very high | 61 Ų | 61 | 28.8 Ų | 28.8 | 50% | 0.504 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -56.3 | -34.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L253 Q254 S341 | A251-L253 PolarHBondContact O-N 3.37Å; A251-Q254 PolarHBondContact O-N 3.49Å; A251-S341 WeakPolarHBondContact CA-OG 3.27Å; A251-S341 WeakPolarHBondContact CB-OG 3.06Å |
| 252 | S | 98.1 | Very high | 98.7 | Very high | 81 Ų | 81 | 32.5 Ų | 32.5 | 57% | 0.566 | 18% | 0.176 | S | C | * | . | G | 310 helix | trans | -64.7 | -17.7 | 178.7 | 51.8 | 0 | 0 | 0 | 0 | 114.2 | E250 | E250-S252 PolarHBondContact O-N 3.25Å; E250-S252 VanDerWaalsContact O-N 3.14Å |
| 253 | L | 98.3 | Very high | 98.7 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -88 | -19.3 | 179.2 | -58 | 178.9 | 0 | 0 | 0 | 112.9 | R218 L222 C249 E250 A251 N255 Q256 I257 | R218-L253 HydrophobicContact CB-CD1 4.39Å; R218-L253 HydrophobicContact CG-CD2 4.28Å; L222-L253 HydrophobicContact CD1-CD2 4.22Å; C249-L253 HydrophobicContact CB-CB 4.44Å; C249-L253 HydrophobicContact CB-CD1 4.24Å; E250-L253 HydrophobicContact CB-CD1 4.49Å; E250-L253 HydrophobicContact CB-CG 4.46Å; E250-L253 WeakPolarHBondContact O-CB 3.2Å; E250-L253 PolarHBondContact O-N 3.36Å; A251-L253 PolarHBondContact O-N 3.37Å; L253-N255 PolarHBondContact O-N 2.93Å; L253-Q256 PolarHBondContact O-N 2.93Å; L253-Q256 VanDerWaalsContact O-N 3.1Å; L253-I257 HydrophobicContact CB-CD1 3.83Å; L253-I257 HydrophobicContact CB-CG1 4.43Å; L253-I257 WeakPolarHBondContact O-CG1 3.5Å; L253-I257 PolarHBondContact O-N 3.07Å |
| 254 | Q | 98 | Very high | 98.7 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 3% | 0.033 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -52.6 | -51 | -170.7 | -72.6 | -163.6 | 65.2 | 0 | 0 | 112.9 | A251 Q256 I257 V258 T319 D320 I339 S341 | A251-Q254 PolarHBondContact O-N 3.49Å; Q254-Q256 VanDerWaalsContact C-N 3.32Å; Q254-Q256 PolarHBondContact O-N 2.72Å; Q254-I257 PolarHBondContact O-N 3.3Å; Q254-V258 VanDerWaalsContact O-CG2 3.28Å; Q254-V258 WeakPolarHBondContact O-CG2 3.25Å; Q254-V258 PolarHBondContact O-N 3.5Å; Q254-T319 VanDerWaalsContact OE1-CB 3.22Å; Q254-D320 PolarHBondContact NE2-OD1 3.15Å; Q254-I339 HydrophobicContact CG-CG2 3.86Å; Q254-S341 PolarHBondContact NE2-OG 2.97Å |
| 255 | N | 98.4 | Very high | 98.7 | Very high | 135 Ų | 135 | 36.4 Ų | 36.4 | 72% | 0.722 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -63.1 | -38.4 | -177.2 | -69.7 | -18.5 | 0 | 0 | 0 | 112.5 | L253 Q259 | L253-N255 PolarHBondContact O-N 2.93Å; N255-Q259 WeakPolarHBondContact O-CB 3.31Å; N255-Q259 PolarHBondContact O-N 3.02Å |
| 256 | Q | 98.6 | Very high | 98.7 | Very high | 98 Ų | 98 | 41 Ų | 41 | 46% | 0.458 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -69.3 | -41.1 | 178.5 | -65.1 | 179.7 | 62.4 | 0 | 0 | 111.1 | L222 L253 Q254 Q259 K260 | L222-Q256 HydrophobicContact CD1-CB 3.96Å; L253-Q256 PolarHBondContact O-N 2.93Å; L253-Q256 VanDerWaalsContact O-N 3.1Å; Q254-Q256 VanDerWaalsContact C-N 3.32Å; Q254-Q256 PolarHBondContact O-N 2.72Å; Q256-Q259 PolarHBondContact O-N 2.8Å; Q256-K260 WeakPolarHBondContact O-CB 2.91Å; Q256-K260 VanDerWaalsContact O-CG 3.31Å; Q256-K260 WeakPolarHBondContact O-CG 3.47Å; Q256-K260 PolarHBondContact O-N 2.94Å |
| 257 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.2 | -49.1 | 175.9 | -68.9 | 166.1 | 0 | 0 | 0 | 110.5 | I216 L222 I247 C249 L253 Q254 Q259 K260 I261 I339 | I216-I257 HydrophobicContact CD1-CD1 4.15Å; I216-I257 HydrophobicContact CG2-CD1 4.47Å; L222-I257 HydrophobicContact CD2-CG1 4.16Å; I247-I257 HydrophobicContact CD1-CG2 3.85Å; I247-I257 HydrophobicContact CG2-CD1 4.49Å; C249-I257 HydrophobicContact CB-CD1 4Å; L253-I257 HydrophobicContact CB-CD1 3.83Å; L253-I257 HydrophobicContact CB-CG1 4.43Å; L253-I257 WeakPolarHBondContact O-CG1 3.5Å; L253-I257 PolarHBondContact O-N 3.07Å; Q254-I257 PolarHBondContact O-N 3.3Å; I257-Q259 VanDerWaalsContact C-N 3.32Å; I257-Q259 PolarHBondContact O-N 2.76Å; I257-K260 PolarHBondContact O-N 3.5Å; I257-I261 HydrophobicContact CG2-CD1 3.64Å; I257-I261 HydrophobicContact CG2-CG1 4.3Å; I257-I261 WeakPolarHBondContact O-CB 3.16Å; I257-I261 VanDerWaalsContact O-CG1 3.29Å; I257-I261 WeakPolarHBondContact O-CG1 3.38Å; I257-I261 PolarHBondContact O-N 2.82Å; I257-I339 HydrophobicContact CB-CD1 4.41Å; I257-I339 HydrophobicContact CG2-CD1 3.83Å |
| 258 | V | 98.9 | Very high | 98.6 | Very high | 17 Ų | 17 | 48.8 Ų | 48.8 | 10% | 0.103 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.5 | -48.9 | 177.3 | 170 | 0 | 0 | 0 | 0 | 110.8 | Q254 K262 A301 I317 T319 I339 | Q254-V258 VanDerWaalsContact O-CG2 3.28Å; Q254-V258 WeakPolarHBondContact O-CG2 3.25Å; Q254-V258 PolarHBondContact O-N 3.5Å; V258-K262 VanDerWaalsContact O-CB 3.27Å; V258-K262 WeakPolarHBondContact O-CB 3.2Å; V258-K262 PolarHBondContact O-N 2.96Å; V258-A301 HydrophobicContact CG1-CB 3.96Å; V258-A301 HydrophobicContact CG2-CB 3.98Å; V258-I317 HydrophobicContact CG2-CG2 3.94Å; V258-T319 HydrophobicContact CG2-CG2 3.56Å; V258-I339 HydrophobicContact CG2-CD1 4.03Å |
| 259 | Q | 98.8 | Very high | 98.6 | Very high | 88 Ų | 88 | 49.7 Ų | 49.7 | 41% | 0.411 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.9 | -47.3 | -177.2 | -176.2 | 59.4 | 25.2 | 0 | 0 | 112.1 | N255 Q256 I257 K262 E263 | N255-Q259 WeakPolarHBondContact O-CB 3.31Å; N255-Q259 PolarHBondContact O-N 3.02Å; Q256-Q259 PolarHBondContact O-N 2.8Å; I257-Q259 VanDerWaalsContact C-N 3.32Å; I257-Q259 PolarHBondContact O-N 2.76Å; Q259-K262 WeakPolarHBondContact O-CB 3.28Å; Q259-K262 PolarHBondContact O-N 3.1Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.29Å; Q259-E263 PolarHBondContact NE2-OE1 3.13Å; Q259-E263 WeakPolarHBondContact O-CG 3.21Å; Q259-E263 PolarHBondContact O-N 3.42Å |
| 260 | K | 98.9 | Very high | 98.6 | Very high | 38 Ų | 38 | 51.3 Ų | 51.3 | 17% | 0.165 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.8 | -36.6 | -178.7 | -68.9 | 173.8 | -173.8 | -69.1 | 0 | 112.8 | L222 D223 C226 Q256 I257 T264 | L222-K260 HydrophobicContact CB-CD 3.67Å; D223-K260 IonicContact OD1-NZ 2.74Å; D223-K260 PolarHBondContact OD1-NZ 2.96Å; D223-K260 IonicContact OD2-NZ 3.48Å; D223-K260 PolarHBondContact OD2-NZ 3.25Å; C226-K260 HydrophobicContact CB-CB 3.64Å; Q256-K260 WeakPolarHBondContact O-CB 2.91Å; Q256-K260 VanDerWaalsContact O-CG 3.31Å; Q256-K260 WeakPolarHBondContact O-CG 3.47Å; Q256-K260 PolarHBondContact O-N 2.94Å; I257-K260 PolarHBondContact O-N 3.5Å; K260-T264 WeakPolarHBondContact O-CB 3.03Å; K260-T264 PolarHBondContact O-N 3.08Å; K260-T264 PolarHBondContact O-OG1 2.77Å |
| 261 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 173.2 | -66.9 | 179 | 0 | 0 | 0 | 110.2 | C226 A230 Y234 I247 I257 E263 T264 V265 I317 L337 | C226-I261 HydrophobicContact CB-CG1 3.71Å; A230-I261 HydrophobicContact CB-CG2 4.1Å; Y234-I261 HydrophobicContact CE2-CG2 3.81Å; I247-I261 HydrophobicContact CD1-CD1 4.16Å; I257-I261 HydrophobicContact CG2-CD1 3.64Å; I257-I261 HydrophobicContact CG2-CG1 4.3Å; I257-I261 WeakPolarHBondContact O-CB 3.16Å; I257-I261 VanDerWaalsContact O-CG1 3.29Å; I257-I261 WeakPolarHBondContact O-CG1 3.38Å; I257-I261 PolarHBondContact O-N 2.82Å; I261-E263 PolarHBondContact O-N 3.16Å; I261-T264 PolarHBondContact O-N 3.28Å; I261-V265 HydrophobicContact CG2-CG2 4.25Å; I261-V265 WeakPolarHBondContact O-CB 3.35Å; I261-V265 VanDerWaalsContact O-CG2 3.3Å; I261-V265 WeakPolarHBondContact O-CG2 3.47Å; I261-V265 PolarHBondContact O-N 2.84Å; I261-I317 HydrophobicContact CB-CD1 3.73Å; I261-I317 HydrophobicContact CG2-CD1 3.49Å; I261-I317 VanDerWaalsContact CG2-CD1 3.49Å; I261-I317 HydrophobicContact CG2-CG1 4.23Å; I261-L337 HydrophobicContact CD1-CD2 3.72Å |
| 262 | K | 98.8 | Very high | 98.5 | Very high | 98 Ų | 98 | 59 Ų | 59 | 43% | 0.426 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 175.5 | 172 | 178.6 | 178.3 | -175.3 | 0 | 112 | V258 Q259 V265 K266 F302 | V258-K262 VanDerWaalsContact O-CB 3.27Å; V258-K262 WeakPolarHBondContact O-CB 3.2Å; V258-K262 PolarHBondContact O-N 2.96Å; Q259-K262 WeakPolarHBondContact O-CB 3.28Å; Q259-K262 PolarHBondContact O-N 3.1Å; K262-V265 PolarHBondContact O-N 3.04Å; K262-K266 PolarHBondContact O-N 3.38Å; K262-K266 VanDerWaalsContact O-N 3.08Å; K262-F302 HydrophobicContact CB-CD2 4.13Å; K262-F302 HydrophobicContact CB-CE2 4.32Å; K262-F302 HydrophobicContact CB-CG 4.25Å; K262-F302 HydrophobicContact CD-CD2 3.75Å; K262-F302 HydrophobicContact CD-CE2 4.07Å; K262-F302 HydrophobicContact CG-CD2 3.7Å; K262-F302 HydrophobicContact CG-CE2 3.65Å; K262-F302 HydrophobicContact CG-CG 4.32Å; K262-F302 HydrophobicContact CG-CZ 4.22Å |
| 263 | E | 98.8 | Very high | 98.5 | Very high | 85 Ų | 85 | 56.1 Ų | 56.1 | 40% | 0.397 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 175.3 | -73.3 | 165.6 | -176.2 | 0 | 0 | 111 | Q259 I261 V265 K266 D267 | Q259-E263 WeakPolarHBondContact CG-OE1 3.29Å; Q259-E263 PolarHBondContact NE2-OE1 3.13Å; Q259-E263 WeakPolarHBondContact O-CG 3.21Å; Q259-E263 PolarHBondContact O-N 3.42Å; I261-E263 PolarHBondContact O-N 3.16Å; E263-V265 PolarHBondContact O-N 3.22Å; E263-K266 WeakPolarHBondContact O-CB 3.42Å; E263-K266 PolarHBondContact O-N 3.43Å; E263-D267 PolarHBondContact O-N 2.84Å |
| 264 | T | 98.9 | Very high | 98.4 | Very high | 10 Ų | 10 | 59.7 Ų | 59.7 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 176.5 | -59.7 | 0 | 0 | 0 | 0 | 112.5 | R227 A230 K260 I261 K266 D267 F268 | R227-T264 HydrophobicContact CB-CG2 4.29Å; R227-T264 HydrophobicContact CG-CG2 3.9Å; A230-T264 HydrophobicContact CB-CG2 3.72Å; K260-T264 WeakPolarHBondContact O-CB 3.03Å; K260-T264 PolarHBondContact O-N 3.08Å; K260-T264 PolarHBondContact O-OG1 2.77Å; I261-T264 PolarHBondContact O-N 3.28Å; T264-K266 VanDerWaalsContact C-N 3.28Å; T264-K266 PolarHBondContact O-N 2.67Å; T264-D267 WeakPolarHBondContact O-CB 3.48Å; T264-D267 PolarHBondContact O-N 3.4Å; T264-D267 VanDerWaalsContact O-N 3.14Å; T264-F268 HydrophobicContact CG2-CD1 4.24Å; T264-F268 HydrophobicContact CG2-CD2 3.67Å; T264-F268 HydrophobicContact CG2-CE1 3.9Å; T264-F268 HydrophobicContact CG2-CE2 3.24Å; T264-F268 HydrophobicContact CG2-CG 4.15Å; T264-F268 HydrophobicContact CG2-CZ 3.37Å; T264-F268 WeakPolarHBondContact O-CG 3.45Å; T264-F268 PolarHBondContact O-N 3Å |
| 265 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 177.9 | 162.4 | 0 | 0 | 0 | 0 | 110.5 | Y234 I261 K262 E263 F268 Y269 I273 F302 P315 | Y234-V265 HydrophobicContact CD2-CG2 3.78Å; Y234-V265 HydrophobicContact CE2-CG2 3.56Å; I261-V265 HydrophobicContact CG2-CG2 4.25Å; I261-V265 WeakPolarHBondContact O-CB 3.35Å; I261-V265 VanDerWaalsContact O-CG2 3.3Å; I261-V265 WeakPolarHBondContact O-CG2 3.47Å; I261-V265 PolarHBondContact O-N 2.84Å; K262-V265 PolarHBondContact O-N 3.04Å; E263-V265 PolarHBondContact O-N 3.22Å; V265-F268 PolarHBondContact O-N 3.29Å; V265-Y269 HydrophobicContact CG1-CD2 4.11Å; V265-Y269 WeakPolarHBondContact O-CD2 3.43Å; V265-Y269 PolarHBondContact O-N 2.97Å; V265-I273 HydrophobicContact CG1-CD1 3.56Å; V265-I273 HydrophobicContact CG1-CG1 4.36Å; V265-F302 HydrophobicContact CB-CE1 4.13Å; V265-F302 HydrophobicContact CB-CZ 4.28Å; V265-F302 HydrophobicContact CG1-CE1 3.83Å; V265-F302 HydrophobicContact CG1-CZ 3.77Å; V265-F302 HydrophobicContact CG2-CE1 4.21Å; V265-P315 HydrophobicContact CG1-CB 3.95Å; V265-P315 HydrophobicContact CG1-CG 3.93Å; V265-P315 HydrophobicContact CG2-CB 3.93Å; V265-P315 HydrophobicContact CG2-CG 4.47Å |
| 266 | K | 98.6 | Very high | 98.4 | Very high | 104 Ų | 104 | 56.8 Ų | 56.8 | 45% | 0.452 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 174.1 | 174.3 | 175.6 | 161.8 | 171.2 | 0 | 111.8 | K262 E263 T264 F268 G270 E271 | K262-K266 PolarHBondContact O-N 3.38Å; K262-K266 VanDerWaalsContact O-N 3.08Å; E263-K266 WeakPolarHBondContact O-CB 3.42Å; E263-K266 PolarHBondContact O-N 3.43Å; T264-K266 VanDerWaalsContact C-N 3.28Å; T264-K266 PolarHBondContact O-N 2.67Å; K266-F268 VanDerWaalsContact C-N 3.34Å; K266-F268 PolarHBondContact O-N 3.46Å; K266-G270 WeakPolarHBondContact O-CA 3.12Å; K266-G270 PolarHBondContact O-N 3.28Å; K266-E271 WeakPolarHBondContact CD-OE1 3.35Å; K266-E271 WeakPolarHBondContact CE-OE1 3.08Å; K266-E271 IonicContact NZ-OE1 2.82Å; K266-E271 PolarHBondContact NZ-OE1 3.27Å |
| 267 | D | 98.7 | Very high | 98.4 | Very high | 115 Ų | 115 | 56.3 Ų | 56.3 | 62% | 0.615 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.8 | -37.4 | 176.5 | -71.9 | -7.8 | 0 | 0 | 0 | 112.5 | E263 T264 | E263-D267 PolarHBondContact O-N 2.84Å; T264-D267 WeakPolarHBondContact O-CB 3.48Å; T264-D267 PolarHBondContact O-N 3.4Å; T264-D267 VanDerWaalsContact O-N 3.14Å |
| 268 | F | 98.7 | Very high | 98.3 | Very high | 52 Ų | 52 | 59.1 Ų | 59.1 | 23% | 0.228 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -78.1 | -43.6 | -179.4 | -69.6 | -14.2 | 0 | 0 | 0 | 113.2 | R227 A230 W231 T264 V265 K266 | R227-F268 HydrophobicContact CG-CE1 4.47Å; R227-F268 HydrophobicContact CG-CZ 3.95Å; A230-F268 HydrophobicContact CB-CE2 4.32Å; W231-F268 HydrophobicContact CB-CE2 3.77Å; W231-F268 HydrophobicContact CB-CZ 4.05Å; T264-F268 HydrophobicContact CG2-CD1 4.24Å; T264-F268 HydrophobicContact CG2-CD2 3.67Å; T264-F268 HydrophobicContact CG2-CE1 3.9Å; T264-F268 HydrophobicContact CG2-CE2 3.24Å; T264-F268 HydrophobicContact CG2-CG 4.15Å; T264-F268 HydrophobicContact CG2-CZ 3.37Å; T264-F268 WeakPolarHBondContact O-CG 3.45Å; T264-F268 PolarHBondContact O-N 3Å; V265-F268 PolarHBondContact O-N 3.29Å; K266-F268 VanDerWaalsContact C-N 3.34Å; K266-F268 PolarHBondContact O-N 3.46Å |
| 269 | Y | 98.8 | Very high | 98.3 | Very high | 20 Ų | 20 | 58.4 Ų | 58.4 | 8% | 0.078 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -118.1 | -0.8 | -166.7 | -51.8 | -62.2 | 0 | 0 | 0 | 113.6 | Y234 V265 I273 S276 D278 Y279 P315 | Y234-Y269 WeakPolarHBondContact CB-OH 3.3Å; V265-Y269 HydrophobicContact CG1-CD2 4.11Å; V265-Y269 WeakPolarHBondContact O-CD2 3.43Å; V265-Y269 PolarHBondContact O-N 2.97Å; Y269-I273 HydrophobicContact CG-CG2 4.31Å; Y269-S276 WeakPolarHBondContact O-CB 3.43Å; Y269-D278 HydrophobicContact CD1-CB 4.33Å; Y269-D278 HydrophobicContact CE1-CB 4.31Å; Y269-D278 WeakPolarHBondContact CE1-O 3.24Å; Y269-Y279 HydrophobicContact CD1-CD2 4.22Å; Y269-Y279 HydrophobicContact CD1-CG 4.47Å; Y269-Y279 HydrophobicContact CD2-CD2 4.4Å; Y269-Y279 AromaticContact CE1-CD2 3.92Å; Y269-Y279 HydrophobicContact CE1-CD2 3.92Å; Y269-Y279 HydrophobicContact CE2-CD2 4.09Å; Y269-Y279 HydrophobicContact CG-CD2 4.45Å; Y269-Y279 AromaticContact CZ-CD2 3.83Å; Y269-P315 HydrophobicContact CD2-CG 4.46Å |
| 270 | G | 98.4 | Very high | 98.3 | Very high | 33 Ų | 33 | 54.2 Ų | 54.2 | 34% | 0.34 | 29% | 0.287 | S | S | . | . | trans | 73 | -175.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K266 | K266-G270 WeakPolarHBondContact O-CA 3.12Å; K266-G270 PolarHBondContact O-N 3.28Å | ||
| 271 | E | 96.4 | Very high | 98.3 | Very high | 146 Ų | 146 | 54.1 Ų | 54.1 | 68% | 0.682 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -69 | -38.3 | 179.1 | -65.4 | -74.7 | -168.2 | 0 | 0 | 112.3 | K266 I273 | K266-E271 WeakPolarHBondContact CD-OE1 3.35Å; K266-E271 WeakPolarHBondContact CE-OE1 3.08Å; K266-E271 IonicContact NZ-OE1 2.82Å; K266-E271 PolarHBondContact NZ-OE1 3.27Å; E271-I273 PolarHBondContact O-N 3.41Å |
| 272 | N | 97.1 | Very high | 98.3 | Very high | 105 Ų | 105 | 54.2 Ų | 54.2 | 56% | 0.561 | 29% | 0.286 | S | S | * | . | trans | -100.6 | 76.8 | 177.1 | -174.4 | 4.5 | 0 | 0 | 0 | 110.5 | K274 A275 S276 | N272-K274 PolarHBondContact O-N 2.78Å; N272-K274 VanDerWaalsContact O-N 3.14Å; N272-A275 HydrophobicContact CB-CB 4.41Å; N272-A275 PolarHBondContact O-N 3.11Å; N272-S276 PolarHBondContact O-N 3.49Å | ||
| 273 | I | 98.3 | Very high | 98.3 | Very high | 20 Ų | 20 | 49.8 Ų | 49.8 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -53.5 | -37.1 | -176.9 | -55.1 | 170 | 0 | 0 | 0 | 111.8 | V265 Y269 E271 A275 S276 Y279 F302 Y312 P315 | V265-I273 HydrophobicContact CG1-CD1 3.56Å; V265-I273 HydrophobicContact CG1-CG1 4.36Å; Y269-I273 HydrophobicContact CG-CG2 4.31Å; E271-I273 PolarHBondContact O-N 3.41Å; I273-A275 PolarHBondContact O-N 2.96Å; I273-S276 VanDerWaalsContact O-CB 3.24Å; I273-S276 WeakPolarHBondContact O-CB 3.06Å; I273-S276 PolarHBondContact O-N 3.21Å; I273-Y279 HydrophobicContact CG2-CD1 3.89Å; I273-Y279 HydrophobicContact CG2-CD2 4.48Å; I273-Y279 HydrophobicContact CG2-CE1 4.27Å; I273-Y279 HydrophobicContact CG2-CG 4Å; I273-F302 HydrophobicContact CD1-CZ 4.4Å; I273-Y312 HydrophobicContact CG2-CE2 4.37Å; I273-P315 HydrophobicContact CD1-CG 4.3Å; I273-P315 HydrophobicContact CG2-CG 4.17Å |
| 274 | K | 97.6 | Very high | 98.3 | Very high | 82 Ų | 82 | 47.4 Ų | 47.4 | 36% | 0.357 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -61.1 | -27.8 | 179.6 | -168.4 | 177.6 | -179.6 | -174.4 | 0 | 112.8 | N272 R281 D307 Y312 | N272-K274 PolarHBondContact O-N 2.78Å; N272-K274 VanDerWaalsContact O-N 3.14Å; K274-R281 PolarHBondContact O-NH2 3.17Å; K274-D307 WeakPolarHBondContact CE-OD2 3.46Å; K274-D307 IonicContact NZ-OD2 2.85Å; K274-D307 PolarHBondContact NZ-OD2 2.81Å; K274-Y312 HydrophobicContact CB-CD2 4.27Å; K274-Y312 HydrophobicContact CB-CE1 4.26Å; K274-Y312 HydrophobicContact CB-CE2 3.92Å; K274-Y312 HydrophobicContact CD-CD1 4.19Å; K274-Y312 HydrophobicContact CD-CE1 4.44Å; K274-Y312 HydrophobicContact CD-CG 4.41Å; K274-Y312 HydrophobicContact CG-CD1 4.19Å; K274-Y312 HydrophobicContact CG-CD2 4.03Å; K274-Y312 HydrophobicContact CG-CE1 4.36Å; K274-Y312 HydrophobicContact CG-CE2 4.19Å; K274-Y312 HydrophobicContact CG-CG 4.02Å |
| 275 | A | 97.4 | Very high | 98.3 | Very high | 70 Ų | 70 | 50.9 Ų | 50.9 | 58% | 0.579 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -91.5 | -5.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N272 I273 | N272-A275 HydrophobicContact CB-CB 4.41Å; N272-A275 PolarHBondContact O-N 3.11Å; I273-A275 PolarHBondContact O-N 2.96Å |
| 276 | S | 98.5 | Very high | 98.3 | Very high | 11 Ų | 11 | 60.7 Ų | 60.7 | 8% | 0.077 | 31% | 0.311 | C | S | . | . | trans | -64.8 | 129.8 | 178.8 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | Y269 N272 I273 D278 | Y269-S276 WeakPolarHBondContact O-CB 3.43Å; N272-S276 PolarHBondContact O-N 3.49Å; I273-S276 VanDerWaalsContact O-CB 3.24Å; I273-S276 WeakPolarHBondContact O-CB 3.06Å; I273-S276 PolarHBondContact O-N 3.21Å; S276-D278 PolarHBondContact O-N 2.79Å; S276-D278 PolarHBondContact OG-N 2.62Å | ||
| 277 | P | 97.8 | Very high | 98.3 | Very high | 89 Ų | 89 | 57.4 Ų | 57.4 | 58% | 0.578 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -20.5 | 173.6 | 30.4 | -34.6 | 0 | 0 | 0 | 112.2 | S52 Y279 | S52-P277 WeakPolarHBondContact CB-O 3.36Å; P277-Y279 VanDerWaalsContact C-N 3.34Å |
| 278 | D | 98.2 | Very high | 98.3 | Very high | 58 Ų | 58 | 52 Ų | 52 | 31% | 0.31 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 3.9 | -175.2 | -56.3 | -57.9 | 0 | 0 | 0 | 113.1 | N55 Y269 S276 | N55-D278 PolarHBondContact ND2-O 2.63Å; Y269-D278 HydrophobicContact CD1-CB 4.33Å; Y269-D278 HydrophobicContact CE1-CB 4.31Å; Y269-D278 WeakPolarHBondContact CE1-O 3.24Å; S276-D278 PolarHBondContact O-N 2.79Å; S276-D278 PolarHBondContact OG-N 2.62Å |
| 279 | Y | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | trans | -113.6 | 116.7 | 177.5 | -164.6 | -111 | 0 | 0 | 0 | 111.1 | Y269 I273 P277 R281 Y312 L313 P315 P335 | Y269-Y279 HydrophobicContact CD1-CD2 4.22Å; Y269-Y279 HydrophobicContact CD1-CG 4.47Å; Y269-Y279 HydrophobicContact CD2-CD2 4.4Å; Y269-Y279 AromaticContact CE1-CD2 3.92Å; Y269-Y279 HydrophobicContact CE1-CD2 3.92Å; Y269-Y279 HydrophobicContact CE2-CD2 4.09Å; Y269-Y279 HydrophobicContact CG-CD2 4.45Å; Y269-Y279 AromaticContact CZ-CD2 3.83Å; I273-Y279 HydrophobicContact CG2-CD1 3.89Å; I273-Y279 HydrophobicContact CG2-CD2 4.48Å; I273-Y279 HydrophobicContact CG2-CE1 4.27Å; I273-Y279 HydrophobicContact CG2-CG 4Å; P277-Y279 VanDerWaalsContact C-N 3.34Å; Y279-R281 PolarHBondContact O-NH1 3.36Å; Y279-Y312 HydrophobicContact CD1-CD2 4.14Å; Y279-Y312 AromaticContact CD1-CE2 3.82Å; Y279-Y312 HydrophobicContact CD1-CE2 3.82Å; Y279-Y312 AromaticContact CE1-CD2 3.99Å; Y279-Y312 HydrophobicContact CE1-CD2 3.99Å; Y279-Y312 AromaticContact CE1-CE2 3.66Å; Y279-Y312 HydrophobicContact CE1-CE2 3.66Å; Y279-L313 WeakPolarHBondContact CE1-O 3.42Å; Y279-L313 PolarHBondContact OH-O 2.93Å; Y279-P315 HydrophobicContact CD2-CG 4.44Å; Y279-P315 HydrophobicContact CE2-CG 3.69Å; Y279-P315 WeakPolarHBondContact OH-CD 3.31Å; Y279-P335 WeakPolarHBondContact OH-CB 3.37Å; Y279-P335 WeakPolarHBondContact OH-CG 3.4Å | ||
| 280 | E | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -73.7 | -168.7 | -173.8 | -66.5 | 79.7 | -166.1 | 0 | 0 | 113.6 | L49 K51 N55 N236 C237 | L49-E280 WeakPolarHBondContact O-CB 3.25Å; K51-E280 HydrophobicContact CB-CG 3.85Å; K51-E280 HydrophobicContact CG-CG 3.99Å; N55-E280 PolarHBondContact ND2-OE1 2.85Å; N236-E280 WeakPolarHBondContact CA-OE2 3.2Å; N236-E280 PolarHBondContact N-OE2 3.38Å; C237-E280 PolarHBondContact N-OE2 3.5Å; C237-E280 PolarHBondContact SG-O 2.89Å | ||
| 281 | R | 98.8 | Very high | 98.3 | Very high | 37 Ų | 37 | 53.6 Ų | 53.6 | 14% | 0.14 | 27% | 0.265 | C | S | . | . | trans | -127.7 | 159 | 172.7 | -61.2 | -63.2 | 179.5 | -88.8 | -5.1 | 111.7 | L49 Q239 K274 Y279 I283 T310 | L49-R281 PolarHBondContact O-N 3.38Å; L49-R281 VanDerWaalsContact O-N 3.16Å; Q239-R281 PolarHBondContact NE2-O 3.42Å; Q239-R281 VanDerWaalsContact NE2-O 3.11Å; K274-R281 PolarHBondContact O-NH2 3.17Å; Y279-R281 PolarHBondContact O-NH1 3.36Å; R281-I283 PolarHBondContact O-N 2.89Å; R281-T310 VanDerWaalsContact CD-O 3.23Å; R281-T310 WeakPolarHBondContact CD-O 3.31Å; R281-T310 WeakPolarHBondContact CG-O 3.43Å | ||
| 282 | I | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | trans | -67.8 | 133.3 | 174.9 | -54.3 | -54.7 | 0 | 0 | 0 | 109.4 | C237 N284 H287 F288 L291 R311 L313 P335 | C237-I282 HydrophobicContact CB-CD1 4Å; I282-N284 PolarHBondContact O-N 3.5Å; I282-H287 HydrophobicContact CG2-CB 3.6Å; I282-F288 HydrophobicContact CB-CB 4.37Å; I282-F288 HydrophobicContact CB-CD2 4.49Å; I282-F288 HydrophobicContact CG1-CD2 4.31Å; I282-F288 HydrophobicContact CG2-CB 4.13Å; I282-L291 HydrophobicContact CD1-CD1 3.51Å; I282-L291 HydrophobicContact CG1-CD1 3.92Å; I282-L291 HydrophobicContact CG2-CD1 4.16Å; I282-R311 HydrophobicContact CB-CB 4.28Å; I282-R311 WeakPolarHBondContact CG1-O 3.35Å; I282-R311 PolarHBondContact N-O 3.15Å; I282-R311 WeakPolarHBondContact O-CB 3.34Å; I282-R311 VanDerWaalsContact O-CD 3.28Å; I282-R311 WeakPolarHBondContact O-CD 3.38Å; I282-R311 PolarHBondContact O-NE 3.17Å; I282-L313 HydrophobicContact CG1-CB 4.46Å; I282-P335 HydrophobicContact CD1-CG 4.45Å | ||
| 283 | I | 98.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -53.4 | -35.2 | -168.8 | -173.6 | 62.9 | 0 | 0 | 0 | 114.4 | L49 W111 L139 R281 H287 R311 | L49-I283 HydrophobicContact CD2-CD1 3.87Å; W111-I283 HydrophobicContact CD2-CB 4.41Å; W111-I283 HydrophobicContact CD2-CG1 4.11Å; W111-I283 HydrophobicContact CD2-CG2 4.25Å; W111-I283 HydrophobicContact CE3-CB 3.67Å; W111-I283 HydrophobicContact CE3-CD1 4.06Å; W111-I283 HydrophobicContact CE3-CG1 3.63Å; W111-I283 HydrophobicContact CE3-CG2 3.86Å; W111-I283 HydrophobicContact CH2-CB 4.02Å; W111-I283 HydrophobicContact CH2-CG2 3.47Å; W111-I283 VanDerWaalsContact CH2-CG2 3.47Å; W111-I283 HydrophobicContact CZ2-CG2 3.91Å; W111-I283 HydrophobicContact CZ3-CB 3.48Å; W111-I283 VanDerWaalsContact CZ3-CB 3.48Å; W111-I283 HydrophobicContact CZ3-CG1 4.01Å; W111-I283 HydrophobicContact CZ3-CG2 3.49Å; W111-I283 VanDerWaalsContact CZ3-CG2 3.49Å; L139-I283 HydrophobicContact CB-CG1 4.27Å; R281-I283 PolarHBondContact O-N 2.89Å; I283-H287 HydrophobicContact CG2-CB 4.06Å; I283-H287 VanDerWaalsContact CG2-CD2 3.45Å; I283-H287 WeakPolarHBondContact CG2-CD2 3.3Å; I283-R311 PolarHBondContact O-NH1 3.35Å |
| 284 | N | 98.8 | Very high | 98.5 | Very high | 35 Ų | 35 | 45.7 Ų | 45.7 | 19% | 0.187 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -160.1 | 174 | 178.5 | 65.4 | 36.4 | 0 | 0 | 0 | 112.1 | I282 R286 H287 F288 | I282-N284 PolarHBondContact O-N 3.5Å; N284-R286 VanDerWaalsContact C-N 3.31Å; N284-R286 PolarHBondContact O-N 2.93Å; N284-R286 WeakPolarHBondContact OD1-CB 3.39Å; N284-R286 PolarHBondContact OD1-N 3.35Å; N284-H287 PolarHBondContact O-N 2.68Å; N284-H287 PolarHBondContact OD1-CD2 3.14Å; N284-H287 VanDerWaalsContact OD1-CD2 3.29Å; N284-H287 PolarHBondContact OD1-N 3.48Å; N284-F288 WeakPolarHBondContact O-CB 3.18Å; N284-F288 PolarHBondContact O-N 3.39Å |
| 285 | L | 98.7 | Very high | 98.6 | Very high | 84 Ų | 84 | 42.4 Ų | 42.4 | 44% | 0.44 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64 | -33.3 | -178.3 | -170.4 | 59.9 | 0 | 0 | 0 | 113.1 | F288 K289 E308 | L285-F288 HydrophobicContact CD1-CD1 4.21Å; L285-F288 PolarHBondContact O-N 3.3Å; L285-K289 HydrophobicContact CD1-CG 4.22Å; L285-K289 HydrophobicContact CG-CG 4.29Å; L285-K289 WeakPolarHBondContact O-CB 3.43Å; L285-K289 VanDerWaalsContact O-CG 3.26Å; L285-K289 WeakPolarHBondContact O-CG 3.49Å; L285-K289 PolarHBondContact O-N 3.16Å; L285-E308 HydrophobicContact CD1-CG 3.59Å |
| 286 | R | 98.7 | Very high | 98.5 | Very high | 205 Ų | 205 | 47 Ų | 47 | 77% | 0.774 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -62.4 | -49.7 | 177.3 | 178.1 | -175 | 174.2 | -171.8 | -1.5 | 111.1 | N284 F288 R290 | N284-R286 VanDerWaalsContact C-N 3.31Å; N284-R286 PolarHBondContact O-N 2.93Å; N284-R286 WeakPolarHBondContact OD1-CB 3.39Å; N284-R286 PolarHBondContact OD1-N 3.35Å; R286-F288 VanDerWaalsContact C-N 3.34Å; R286-R290 PolarHBondContact O-N 3.43Å; R286-R290 VanDerWaalsContact O-N 3.11Å |
| 287 | H | 98.8 | Very high | 98.4 | Very high | 36 Ų | 36 | 50.7 Ų | 50.7 | 17% | 0.167 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 177.6 | -76.7 | -81.9 | 0 | 0 | 0 | 111.5 | W111 I282 I283 N284 R290 L291 | W111-H287 AromaticContact CZ2-CE1 3.83Å; W111-H287 AromaticContact CZ2-NE2 3.89Å; I282-H287 HydrophobicContact CG2-CB 3.6Å; I283-H287 HydrophobicContact CG2-CB 4.06Å; I283-H287 VanDerWaalsContact CG2-CD2 3.45Å; I283-H287 WeakPolarHBondContact CG2-CD2 3.3Å; N284-H287 PolarHBondContact O-N 2.68Å; N284-H287 PolarHBondContact OD1-CD2 3.14Å; N284-H287 VanDerWaalsContact OD1-CD2 3.29Å; N284-H287 PolarHBondContact OD1-N 3.48Å; H287-R290 PolarHBondContact O-N 3.12Å; H287-L291 WeakPolarHBondContact O-CG 3.38Å; H287-L291 PolarHBondContact O-N 3.25Å |
| 288 | F | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.1 | -51.1 | 176 | 179.5 | -92.7 | 0 | 0 | 0 | 112.3 | I282 N284 L285 R286 R290 L291 Q292 M306 E308 R311 Y312 | I282-F288 HydrophobicContact CB-CB 4.37Å; I282-F288 HydrophobicContact CB-CD2 4.49Å; I282-F288 HydrophobicContact CG1-CD2 4.31Å; I282-F288 HydrophobicContact CG2-CB 4.13Å; N284-F288 WeakPolarHBondContact O-CB 3.18Å; N284-F288 PolarHBondContact O-N 3.39Å; L285-F288 HydrophobicContact CD1-CD1 4.21Å; L285-F288 PolarHBondContact O-N 3.3Å; R286-F288 VanDerWaalsContact C-N 3.34Å; F288-R290 VanDerWaalsContact C-N 3.33Å; F288-R290 PolarHBondContact O-N 2.92Å; F288-L291 PolarHBondContact O-N 2.64Å; F288-Q292 PolarHBondContact O-N 3.3Å; F288-M306 HydrophobicContact CE2-CB 4.46Å; F288-M306 HydrophobicContact CZ-CB 4.01Å; F288-M306 HydrophobicContact CZ-CG 4.37Å; F288-E308 HydrophobicContact CD1-CB 4.48Å; F288-E308 HydrophobicContact CD1-CG 4.26Å; F288-E308 HydrophobicContact CE1-CB 3.7Å; F288-E308 HydrophobicContact CE1-CG 3.91Å; F288-E308 HydrophobicContact CZ-CB 4.04Å; F288-R311 HydrophobicContact CD2-CB 4.36Å; F288-Y312 WeakPolarHBondContact CE2-O 3.2Å |
| 289 | K | 98.8 | Very high | 98.5 | Very high | 82 Ų | 82 | 51 Ų | 51 | 36% | 0.357 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.1 | -36.1 | 179 | -67.8 | -67.9 | -172.9 | 178.2 | 0 | 112.7 | L285 Q292 S293 E308 | L285-K289 HydrophobicContact CD1-CG 4.22Å; L285-K289 HydrophobicContact CG-CG 4.29Å; L285-K289 WeakPolarHBondContact O-CB 3.43Å; L285-K289 VanDerWaalsContact O-CG 3.26Å; L285-K289 WeakPolarHBondContact O-CG 3.49Å; L285-K289 PolarHBondContact O-N 3.16Å; K289-Q292 PolarHBondContact O-N 3.1Å; K289-S293 PolarHBondContact O-N 3.11Å; K289-E308 VanDerWaalsContact CE-CD 3.48Å; K289-E308 WeakPolarHBondContact CE-OE1 3.41Å; K289-E308 WeakPolarHBondContact CE-OE2 3.43Å; K289-E308 IonicContact NZ-OE1 2.59Å; K289-E308 PolarHBondContact NZ-OE1 3.3Å; K289-E308 IonicContact NZ-OE2 2.98Å; K289-E308 PolarHBondContact NZ-OE2 2.78Å |
| 290 | R | 98.8 | Very high | 98.5 | Very high | 57 Ų | 57 | 54.6 Ų | 54.6 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60 | -51.7 | 173.4 | -177.1 | -170.6 | 63.9 | 89.1 | 1.7 | 110.4 | R286 H287 F288 Q292 S293 L294 E330 E331 I332 | R286-R290 PolarHBondContact O-N 3.43Å; R286-R290 VanDerWaalsContact O-N 3.11Å; H287-R290 PolarHBondContact O-N 3.12Å; F288-R290 VanDerWaalsContact C-N 3.33Å; F288-R290 PolarHBondContact O-N 2.92Å; R290-Q292 PolarHBondContact O-N 3.23Å; R290-S293 WeakPolarHBondContact O-CA 3.47Å; R290-S293 WeakPolarHBondContact O-CB 3.24Å; R290-S293 PolarHBondContact O-N 2.88Å; R290-S293 PolarHBondContact O-OG 2.87Å; R290-L294 PolarHBondContact O-N 2.99Å; R290-E330 VanDerWaalsContact CD-OE1 3.25Å; R290-E330 WeakPolarHBondContact CD-OE1 3.44Å; R290-E330 WeakPolarHBondContact CG-OE1 3.3Å; R290-E330 IonicContact CZ-OE1 3.92Å; R290-E330 IonicContact NE-OE1 3.27Å; R290-E330 IonicContact NH1-OE1 2.92Å; R290-E330 PolarHBondContact NH1-OE1 3.4Å; R290-E331 PolarHBondContact NH1-O 2.93Å; R290-I332 PolarHBondContact NH1-O 3.24Å; R290-I332 PolarHBondContact NH2-O 3.36Å |
| 291 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 178.1 | -70.2 | 170.4 | 0 | 0 | 0 | 112.3 | I282 H287 F288 S293 L294 L313 I332 I336 | I282-L291 HydrophobicContact CD1-CD1 3.51Å; I282-L291 HydrophobicContact CG1-CD1 3.92Å; I282-L291 HydrophobicContact CG2-CD1 4.16Å; H287-L291 WeakPolarHBondContact O-CG 3.38Å; H287-L291 PolarHBondContact O-N 3.25Å; F288-L291 PolarHBondContact O-N 2.64Å; L291-S293 PolarHBondContact O-N 3.28Å; L291-L294 HydrophobicContact CD2-CD1 4.21Å; L291-L294 WeakPolarHBondContact O-CB 3.43Å; L291-L294 PolarHBondContact O-N 3.18Å; L291-L313 HydrophobicContact CB-CD1 3.89Å; L291-I332 HydrophobicContact CD2-CG2 3.99Å; L291-I332 WeakPolarHBondContact CD2-O 3.47Å; L291-I336 HydrophobicContact CB-CD1 4.22Å; L291-I336 HydrophobicContact CD2-CD1 4.08Å |
| 292 | Q | 98.6 | Very high | 98.5 | Very high | 63 Ų | 63 | 56.8 Ų | 56.8 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55.2 | -37.9 | 173.4 | -179.1 | 178.8 | 45.7 | 0 | 0 | 111.9 | F288 K289 R290 L294 L295 M306 | F288-Q292 PolarHBondContact O-N 3.3Å; K289-Q292 PolarHBondContact O-N 3.1Å; R290-Q292 PolarHBondContact O-N 3.23Å; Q292-L294 VanDerWaalsContact C-N 3.29Å; Q292-L294 PolarHBondContact O-N 3.06Å; Q292-L295 PolarHBondContact O-N 3.39Å; Q292-M306 HydrophobicContact CB-SD 3.83Å; Q292-M306 HydrophobicContact CG-CE 3.99Å; Q292-M306 HydrophobicContact CG-SD 3.76Å |
| 293 | S | 98.6 | Very high | 98.4 | Very high | 40 Ų | 40 | 57.5 Ų | 57.5 | 28% | 0.28 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.7 | -25.8 | 178.4 | 85.5 | 0 | 0 | 0 | 0 | 113.7 | K289 R290 L291 L295 K296 | K289-S293 PolarHBondContact O-N 3.11Å; R290-S293 WeakPolarHBondContact O-CA 3.47Å; R290-S293 WeakPolarHBondContact O-CB 3.24Å; R290-S293 PolarHBondContact O-N 2.88Å; R290-S293 PolarHBondContact O-OG 2.87Å; L291-S293 PolarHBondContact O-N 3.28Å; S293-L295 VanDerWaalsContact C-N 3.31Å; S293-K296 PolarHBondContact O-N 2.8Å |
| 294 | L | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.3 | -25.4 | 178.4 | -57.8 | -176 | 0 | 0 | 0 | 112.5 | R290 L291 Q292 K296 Q298 K326 V327 E330 I332 I336 | R290-L294 PolarHBondContact O-N 2.99Å; L291-L294 HydrophobicContact CD2-CD1 4.21Å; L291-L294 WeakPolarHBondContact O-CB 3.43Å; L291-L294 PolarHBondContact O-N 3.18Å; Q292-L294 VanDerWaalsContact C-N 3.29Å; Q292-L294 PolarHBondContact O-N 3.06Å; L294-K296 VanDerWaalsContact C-N 3.32Å; L294-Q298 VanDerWaalsContact O-CG 3.23Å; L294-Q298 WeakPolarHBondContact O-CG 3.46Å; L294-K326 HydrophobicContact CD2-CB 4.06Å; L294-V327 HydrophobicContact CB-CB 4.16Å; L294-V327 HydrophobicContact CB-CG2 4.1Å; L294-V327 HydrophobicContact CD1-CG2 4.39Å; L294-E330 HydrophobicContact CD2-CG 4.08Å; L294-I332 HydrophobicContact CD1-CG2 4.46Å; L294-I336 HydrophobicContact CB-CD1 4.31Å |
| 295 | L | 98.4 | Very high | 98.4 | Very high | 13 Ų | 13 | 61.6 Ų | 61.6 | 7% | 0.068 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -15.2 | 179 | -62.9 | 178 | 0 | 0 | 0 | 113.4 | Q292 S293 G297 Q298 M306 L313 T316 L318 I336 | Q292-L295 PolarHBondContact O-N 3.39Å; S293-L295 VanDerWaalsContact C-N 3.31Å; L295-G297 PolarHBondContact O-N 2.59Å; L295-Q298 WeakPolarHBondContact O-CB 3.4Å; L295-Q298 PolarHBondContact O-N 2.97Å; L295-M306 HydrophobicContact CD1-CE 3.96Å; L295-M306 HydrophobicContact CD1-SD 4.06Å; L295-L313 HydrophobicContact CD1-CD1 4.47Å; L295-T316 HydrophobicContact CD2-CG2 3.84Å; L295-L318 HydrophobicContact CD2-CD1 4.43Å; L295-L318 HydrophobicContact CD2-CD2 3.96Å; L295-I336 HydrophobicContact CD1-CD1 4.46Å; L295-I336 HydrophobicContact CD2-CD1 3.69Å; L295-I336 HydrophobicContact CD2-CG1 3.98Å; L295-I336 HydrophobicContact CD2-CG2 3.91Å; L295-I336 HydrophobicContact CG-CD1 3.88Å |
| 296 | K | 96.6 | Very high | 98.4 | Very high | 166 Ų | 166 | 60.9 Ų | 60.9 | 72% | 0.722 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 125.3 | -177.5 | -67.6 | -174.8 | 178 | -175.4 | 0 | 111 | S293 L294 Q298 | S293-K296 PolarHBondContact O-N 2.8Å; L294-K296 VanDerWaalsContact C-N 3.32Å; K296-Q298 PolarHBondContact O-N 3.41Å |
| 297 | G | 95.6 | Very high | 98.4 | Very high | 89 Ų | 89 | 53 Ų | 53 | 92% | 0.918 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L295 | L295-G297 PolarHBondContact O-N 2.59Š|
| 298 | Q | 98.5 | Very high | 98.4 | Very high | 33 Ų | 33 | 55.2 Ų | 55.2 | 15% | 0.154 | 30% | 0.297 | C | S | . | . | trans | -93 | 152.4 | 178.1 | -59.1 | -65.2 | -19.8 | 0 | 0 | 111.4 | L294 L295 K296 I300 L318 S325 | L294-Q298 VanDerWaalsContact O-CG 3.23Å; L294-Q298 WeakPolarHBondContact O-CG 3.46Å; L295-Q298 WeakPolarHBondContact O-CB 3.4Å; L295-Q298 PolarHBondContact O-N 2.97Å; K296-Q298 PolarHBondContact O-N 3.41Å; Q298-I300 PolarHBondContact O-N 2.86Å; Q298-L318 HydrophobicContact CB-CD1 3.91Å; Q298-L318 HydrophobicContact CB-CD2 3.93Å; Q298-L318 HydrophobicContact CB-CG 4.42Å; Q298-L318 HydrophobicContact CG-CD1 3.83Å; Q298-S325 VanDerWaalsContact NE2-CB 3.3Å; Q298-S325 PolarHBondContact NE2-OG 3.44Å | ||
| 299 | K | 98.5 | Very high | 98.3 | Very high | 122 Ų | 122 | 59.7 Ų | 59.7 | 53% | 0.53 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 102 | 171.5 | -176.8 | -179.3 | 174.6 | -174.1 | 0 | 109.6 | A301 L318 T319 D320 | K299-A301 PolarHBondContact O-N 2.92Å; K299-L318 WeakPolarHBondContact O-CA 3.43Å; K299-T319 PolarHBondContact O-N 3.23Å; K299-T319 VanDerWaalsContact O-N 3.15Å; K299-D320 IonicContact NZ-OD2 3.27Å; K299-D320 PolarHBondContact NZ-OD2 2.92Å |
| 300 | I | 98.8 | Very high | 98.3 | Very high | 76 Ų | 76 | 58.4 Ų | 58.4 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 115.8 | 178 | -58.4 | 172.8 | 0 | 0 | 0 | 108.8 | Q298 F302 G303 T316 L318 | Q298-I300 PolarHBondContact O-N 2.86Å; I300-F302 WeakPolarHBondContact CG2-O 3.46Å; I300-G303 WeakPolarHBondContact CG2-O 3.33Å; I300-T316 HydrophobicContact CG2-CG2 4.15Å; I300-L318 HydrophobicContact CB-CD2 4.4Å; I300-L318 HydrophobicContact CG1-CD2 3.78Å |
| 301 | A | 98.8 | Very high | 98.3 | Very high | 43 Ų | 43 | 59.2 Ų | 59.2 | 36% | 0.355 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -29 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V258 K299 I317 T319 | V258-A301 HydrophobicContact CG1-CB 3.96Å; V258-A301 HydrophobicContact CG2-CB 3.98Å; K299-A301 PolarHBondContact O-N 2.92Å; A301-I317 PolarHBondContact N-O 2.83Å; A301-T319 HydrophobicContact CB-CG2 3.67Å |
| 302 | F | 98.8 | Very high | 98.3 | Very high | 40 Ų | 40 | 60 Ų | 60 | 18% | 0.175 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 145.9 | 177.9 | 170.8 | -107.4 | 0 | 0 | 0 | 109.8 | K262 V265 I273 I300 P315 T316 I317 | K262-F302 HydrophobicContact CB-CD2 4.13Å; K262-F302 HydrophobicContact CB-CE2 4.32Å; K262-F302 HydrophobicContact CB-CG 4.25Å; K262-F302 HydrophobicContact CD-CD2 3.75Å; K262-F302 HydrophobicContact CD-CE2 4.07Å; K262-F302 HydrophobicContact CG-CD2 3.7Å; K262-F302 HydrophobicContact CG-CE2 3.65Å; K262-F302 HydrophobicContact CG-CG 4.32Å; K262-F302 HydrophobicContact CG-CZ 4.22Å; V265-F302 HydrophobicContact CB-CE1 4.13Å; V265-F302 HydrophobicContact CB-CZ 4.28Å; V265-F302 HydrophobicContact CG1-CE1 3.83Å; V265-F302 HydrophobicContact CG1-CZ 3.77Å; V265-F302 HydrophobicContact CG2-CE1 4.21Å; I273-F302 HydrophobicContact CD1-CZ 4.4Å; I300-F302 WeakPolarHBondContact CG2-O 3.46Å; F302-P315 WeakPolarHBondContact CD1-O 3.39Å; F302-P315 HydrophobicContact CE1-CB 4.21Å; F302-P315 VanDerWaalsContact CE1-O 3.3Å; F302-P315 WeakPolarHBondContact CE1-O 3.45Å; F302-T316 WeakPolarHBondContact O-CA 3.32Å; F302-I317 HydrophobicContact CB-CB 4.34Å; F302-I317 HydrophobicContact CB-CD1 4.12Å; F302-I317 HydrophobicContact CB-CG1 4.34Å; F302-I317 HydrophobicContact CD1-CD1 4.01Å; F302-I317 HydrophobicContact CD1-CG1 4.16Å; F302-I317 HydrophobicContact CG-CD1 4.45Å; F302-I317 PolarHBondContact O-N 3.24Å |
| 303 | G | 98.6 | Very high | 98.3 | Very high | 17 Ų | 17 | 57 Ų | 57 | 18% | 0.175 | 33% | 0.326 | C | S | . | . | trans | 76.3 | -142 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I300 E305 P315 | I300-G303 WeakPolarHBondContact CG2-O 3.33Å; G303-E305 WeakPolarHBondContact CA-OE2 3.46Å; G303-P315 WeakPolarHBondContact CA-O 3.42Å | ||
| 304 | G | 98 | Very high | 98.3 | Very high | 15 Ų | 15 | 55.1 Ų | 55.1 | 16% | 0.155 | 31% | 0.313 | C | S | . | . | trans | 91.4 | -5.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | T316 | G304-T316 PolarHBondContact N-OG1 3.21Š| ||
| 305 | E | 98.6 | Very high | 98.3 | Very high | 111 Ų | 111 | 55.1 Ų | 55.1 | 52% | 0.519 | 31% | 0.313 | S | S | . | . | trans | -66.8 | 138.6 | 174 | -55.5 | 79.5 | -176.4 | 0 | 0 | 110.5 | G303 Y312 A314 | G303-E305 WeakPolarHBondContact CA-OE2 3.46Å; E305-Y312 HydrophobicContact CB-CE1 4.41Å; E305-A314 HydrophobicContact CB-CB 4.11Å; E305-A314 WeakPolarHBondContact O-CB 3.43Å; E305-A314 PolarHBondContact O-N 3.21Å; E305-A314 VanDerWaalsContact OE2-CB 3.22Å; E305-A314 WeakPolarHBondContact OE2-CB 3.47Å | ||
| 306 | M | 98.4 | Very high | 98.4 | Very high | 69 Ų | 69 | 54.5 Ų | 54.5 | 34% | 0.34 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 143.4 | -175.9 | -75.7 | 178.9 | -74.5 | 0 | 0 | 110.3 | F288 Q292 L295 Y312 L313 | F288-M306 HydrophobicContact CE2-CB 4.46Å; F288-M306 HydrophobicContact CZ-CB 4.01Å; F288-M306 HydrophobicContact CZ-CG 4.37Å; Q292-M306 HydrophobicContact CB-SD 3.83Å; Q292-M306 HydrophobicContact CG-CE 3.99Å; Q292-M306 HydrophobicContact CG-SD 3.76Å; L295-M306 HydrophobicContact CD1-CE 3.96Å; L295-M306 HydrophobicContact CD1-SD 4.06Å; M306-Y312 CarbonylContact C-O 3.6Å; M306-Y312 VanDerWaalsContact CA-O 3.31Å; M306-Y312 WeakPolarHBondContact CA-O 3.44Å; M306-L313 HydrophobicContact CG-CB 4.35Å; M306-L313 HydrophobicContact CG-CD1 3.86Å; M306-L313 HydrophobicContact CG-CG 3.78Å; M306-L313 HydrophobicContact SD-CD1 3.78Å; M306-L313 HydrophobicContact SD-CG 4.34Å |
| 307 | D | 98.6 | Very high | 98.5 | Very high | 38 Ų | 38 | 46.6 Ų | 46.6 | 20% | 0.203 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 110.6 | 166.8 | 170.2 | 19.6 | 0 | 0 | 0 | 109.4 | K274 A309 T310 R311 Y312 | K274-D307 WeakPolarHBondContact CE-OD2 3.46Å; K274-D307 IonicContact NZ-OD2 2.85Å; K274-D307 PolarHBondContact NZ-OD2 2.81Å; D307-A309 WeakPolarHBondContact OD1-CB 3.37Å; D307-A309 PolarHBondContact OD1-N 3.14Å; D307-T310 VanDerWaalsContact CG-OG1 3.25Å; D307-T310 WeakPolarHBondContact OD2-CG2 3.36Å; D307-T310 PolarHBondContact OD2-OG1 3.27Å; D307-R311 CarbonylContact O-C 3.6Å; D307-R311 WeakPolarHBondContact O-CA 3.37Å; D307-R311 PolarHBondContact O-N 2.84Å; D307-Y312 HydrophobicContact CB-CD1 4.35Å; D307-Y312 PolarHBondContact N-O 3.41Å; D307-Y312 PolarHBondContact O-N 2.83Å |
| 308 | E | 98.5 | Very high | 98.6 | Very high | 83 Ų | 83 | 42.3 Ų | 42.3 | 39% | 0.388 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -37.3 | -177.8 | -176.8 | 168.1 | 161.2 | 0 | 0 | 113.1 | L285 F288 K289 T310 R311 | L285-E308 HydrophobicContact CD1-CG 3.59Å; F288-E308 HydrophobicContact CD1-CB 4.48Å; F288-E308 HydrophobicContact CD1-CG 4.26Å; F288-E308 HydrophobicContact CE1-CB 3.7Å; F288-E308 HydrophobicContact CE1-CG 3.91Å; F288-E308 HydrophobicContact CZ-CB 4.04Å; K289-E308 VanDerWaalsContact CE-CD 3.48Å; K289-E308 WeakPolarHBondContact CE-OE1 3.41Å; K289-E308 WeakPolarHBondContact CE-OE2 3.43Å; K289-E308 IonicContact NZ-OE1 2.59Å; K289-E308 PolarHBondContact NZ-OE1 3.3Å; K289-E308 IonicContact NZ-OE2 2.98Å; K289-E308 PolarHBondContact NZ-OE2 2.78Å; E308-T310 VanDerWaalsContact C-N 3.25Å; E308-T310 PolarHBondContact O-N 2.69Å; E308-R311 PolarHBondContact O-N 3.33Å; E308-R311 VanDerWaalsContact O-N 3.11Å |
| 309 | A | 98.3 | Very high | 98.7 | Very high | 95 Ų | 95 | 41.1 Ų | 41.1 | 79% | 0.785 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -35.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D307 | D307-A309 WeakPolarHBondContact OD1-CB 3.37Å; D307-A309 PolarHBondContact OD1-N 3.14Å |
| 310 | T | 98.3 | Very high | 98.6 | Very high | 55 Ų | 55 | 39.9 Ų | 39.9 | 34% | 0.337 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | -0.3 | 176.3 | 59.9 | 0 | 0 | 0 | 0 | 113.3 | R281 D307 E308 Y312 | R281-T310 VanDerWaalsContact CD-O 3.23Å; R281-T310 WeakPolarHBondContact CD-O 3.31Å; R281-T310 WeakPolarHBondContact CG-O 3.43Å; D307-T310 VanDerWaalsContact CG-OG1 3.25Å; D307-T310 WeakPolarHBondContact OD2-CG2 3.36Å; D307-T310 PolarHBondContact OD2-OG1 3.27Å; E308-T310 VanDerWaalsContact C-N 3.25Å; E308-T310 PolarHBondContact O-N 2.69Å; T310-Y312 PolarHBondContact O-N 3.42Å; T310-Y312 WeakPolarHBondContact OG1-CB 3.11Å |
| 311 | R | 98.7 | Very high | 98.6 | Very high | 75 Ų | 75 | 36.6 Ų | 36.6 | 28% | 0.283 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 34.3 | -172.9 | -55.7 | 167.4 | -67.4 | 179.7 | -3.8 | 112.4 | I282 I283 F288 D307 E308 | I282-R311 HydrophobicContact CB-CB 4.28Å; I282-R311 WeakPolarHBondContact CG1-O 3.35Å; I282-R311 PolarHBondContact N-O 3.15Å; I282-R311 WeakPolarHBondContact O-CB 3.34Å; I282-R311 VanDerWaalsContact O-CD 3.28Å; I282-R311 WeakPolarHBondContact O-CD 3.38Å; I282-R311 PolarHBondContact O-NE 3.17Å; I283-R311 PolarHBondContact O-NH1 3.35Å; F288-R311 HydrophobicContact CD2-CB 4.36Å; D307-R311 CarbonylContact O-C 3.6Å; D307-R311 WeakPolarHBondContact O-CA 3.37Å; D307-R311 PolarHBondContact O-N 2.84Å; E308-R311 PolarHBondContact O-N 3.33Å; E308-R311 VanDerWaalsContact O-N 3.11Å |
| 312 | Y | 98.9 | Very high | 98.6 | Very high | 15 Ų | 15 | 38.6 Ų | 38.6 | 6% | 0.059 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 128.4 | 179.6 | 166.7 | -96.9 | 0 | 0 | 0 | 110.7 | I273 K274 Y279 F288 E305 M306 D307 T310 A314 | I273-Y312 HydrophobicContact CG2-CE2 4.37Å; K274-Y312 HydrophobicContact CB-CD2 4.27Å; K274-Y312 HydrophobicContact CB-CE1 4.26Å; K274-Y312 HydrophobicContact CB-CE2 3.92Å; K274-Y312 HydrophobicContact CD-CD1 4.19Å; K274-Y312 HydrophobicContact CD-CE1 4.44Å; K274-Y312 HydrophobicContact CD-CG 4.41Å; K274-Y312 HydrophobicContact CG-CD1 4.19Å; K274-Y312 HydrophobicContact CG-CD2 4.03Å; K274-Y312 HydrophobicContact CG-CE1 4.36Å; K274-Y312 HydrophobicContact CG-CE2 4.19Å; K274-Y312 HydrophobicContact CG-CG 4.02Å; Y279-Y312 HydrophobicContact CD1-CD2 4.14Å; Y279-Y312 AromaticContact CD1-CE2 3.82Å; Y279-Y312 HydrophobicContact CD1-CE2 3.82Å; Y279-Y312 AromaticContact CE1-CD2 3.99Å; Y279-Y312 HydrophobicContact CE1-CD2 3.99Å; Y279-Y312 AromaticContact CE1-CE2 3.66Å; Y279-Y312 HydrophobicContact CE1-CE2 3.66Å; F288-Y312 WeakPolarHBondContact CE2-O 3.2Å; E305-Y312 HydrophobicContact CB-CE1 4.41Å; M306-Y312 CarbonylContact C-O 3.6Å; M306-Y312 VanDerWaalsContact CA-O 3.31Å; M306-Y312 WeakPolarHBondContact CA-O 3.44Å; D307-Y312 HydrophobicContact CB-CD1 4.35Å; D307-Y312 PolarHBondContact N-O 3.41Å; D307-Y312 PolarHBondContact O-N 2.83Å; T310-Y312 PolarHBondContact O-N 3.42Å; T310-Y312 WeakPolarHBondContact OG1-CB 3.11Å; Y312-A314 HydrophobicContact CE1-CB 4.07Å; Y312-A314 VanDerWaalsContact OH-CB 3.26Å; Y312-A314 WeakPolarHBondContact OH-CB 3.4Å |
| 313 | L | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 121.2 | 168.8 | -165.3 | 145.3 | 0 | 0 | 0 | 107.4 | Y279 I282 L291 L295 M306 P335 I336 | Y279-L313 WeakPolarHBondContact CE1-O 3.42Å; Y279-L313 PolarHBondContact OH-O 2.93Å; I282-L313 HydrophobicContact CG1-CB 4.46Å; L291-L313 HydrophobicContact CB-CD1 3.89Å; L295-L313 HydrophobicContact CD1-CD1 4.47Å; M306-L313 HydrophobicContact CG-CB 4.35Å; M306-L313 HydrophobicContact CG-CD1 3.86Å; M306-L313 HydrophobicContact CG-CG 3.78Å; M306-L313 HydrophobicContact SD-CD1 3.78Å; M306-L313 HydrophobicContact SD-CG 4.34Å; L313-P335 HydrophobicContact CB-CG 4.12Å; L313-P335 HydrophobicContact CD2-CG 3.6Å; L313-P335 HydrophobicContact CG-CG 4.45Å; L313-P335 WeakPolarHBondContact O-CG 3.45Å; L313-I336 HydrophobicContact CD2-CD1 4.44Å; L313-I336 HydrophobicContact CD2-CG1 3.89Å |
| 314 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -64.1 | 151.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E305 Y312 T316 | E305-A314 HydrophobicContact CB-CB 4.11Å; E305-A314 WeakPolarHBondContact O-CB 3.43Å; E305-A314 PolarHBondContact O-N 3.21Å; E305-A314 VanDerWaalsContact OE2-CB 3.22Å; E305-A314 WeakPolarHBondContact OE2-CB 3.47Å; Y312-A314 HydrophobicContact CE1-CB 4.07Å; Y312-A314 VanDerWaalsContact OH-CB 3.26Å; Y312-A314 WeakPolarHBondContact OH-CB 3.4Å; A314-T316 PolarHBondContact O-N 3.38Å; A314-T316 PolarHBondContact O-OG1 3.11Å | ||
| 315 | P | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -48.6 | 115 | 166.9 | -29 | 38.3 | 0 | 0 | 0 | 110.4 | Y234 V265 Y269 I273 Y279 F302 G303 | Y234-P315 HydrophobicContact CD1-CB 3.67Å; Y234-P315 HydrophobicContact CD1-CG 4.16Å; Y234-P315 HydrophobicContact CD2-CB 4.2Å; Y234-P315 HydrophobicContact CE1-CB 3.51Å; Y234-P315 HydrophobicContact CE1-CG 4.47Å; Y234-P315 HydrophobicContact CE2-CB 4.05Å; Y234-P315 HydrophobicContact CG-CB 4.03Å; Y234-P315 HydrophobicContact CG-CG 4.32Å; V265-P315 HydrophobicContact CG1-CB 3.95Å; V265-P315 HydrophobicContact CG1-CG 3.93Å; V265-P315 HydrophobicContact CG2-CB 3.93Å; V265-P315 HydrophobicContact CG2-CG 4.47Å; Y269-P315 HydrophobicContact CD2-CG 4.46Å; I273-P315 HydrophobicContact CD1-CG 4.3Å; I273-P315 HydrophobicContact CG2-CG 4.17Å; Y279-P315 HydrophobicContact CD2-CG 4.44Å; Y279-P315 HydrophobicContact CE2-CG 3.69Å; Y279-P315 WeakPolarHBondContact OH-CD 3.31Å; F302-P315 WeakPolarHBondContact CD1-O 3.39Å; F302-P315 HydrophobicContact CE1-CB 4.21Å; F302-P315 VanDerWaalsContact CE1-O 3.3Å; F302-P315 WeakPolarHBondContact CE1-O 3.45Å; G303-P315 WeakPolarHBondContact CA-O 3.42Å | ||
| 316 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 131.9 | -169.3 | -59.2 | 0 | 0 | 0 | 0 | 110.6 | L295 I300 F302 G304 A314 L318 P335 I336 L337 | L295-T316 HydrophobicContact CD2-CG2 3.84Å; I300-T316 HydrophobicContact CG2-CG2 4.15Å; F302-T316 WeakPolarHBondContact O-CA 3.32Å; G304-T316 PolarHBondContact N-OG1 3.21Å; A314-T316 PolarHBondContact O-N 3.38Å; A314-T316 PolarHBondContact O-OG1 3.11Å; T316-L318 HydrophobicContact CG2-CD2 3.99Å; T316-P335 PolarHBondContact N-O 2.9Å; T316-I336 CarbonylContact O-C 3.57Å; T316-I336 WeakPolarHBondContact O-CA 3.38Å; T316-L337 PolarHBondContact O-N 2.88Å |
| 317 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 131.6 | 175.9 | -51.6 | 169.7 | 0 | 0 | 0 | 109.1 | Y234 V258 I261 A301 F302 L337 I339 | Y234-I317 WeakPolarHBondContact OH-CG1 3.38Å; V258-I317 HydrophobicContact CG2-CG2 3.94Å; I261-I317 HydrophobicContact CB-CD1 3.73Å; I261-I317 HydrophobicContact CG2-CD1 3.49Å; I261-I317 VanDerWaalsContact CG2-CD1 3.49Å; I261-I317 HydrophobicContact CG2-CG1 4.23Å; A301-I317 PolarHBondContact N-O 2.83Å; F302-I317 HydrophobicContact CB-CB 4.34Å; F302-I317 HydrophobicContact CB-CD1 4.12Å; F302-I317 HydrophobicContact CB-CG1 4.34Å; F302-I317 HydrophobicContact CD1-CD1 4.01Å; F302-I317 HydrophobicContact CD1-CG1 4.16Å; F302-I317 HydrophobicContact CG-CD1 4.45Å; F302-I317 PolarHBondContact O-N 3.24Å; I317-L337 WeakPolarHBondContact CA-O 3.33Å; I317-I339 HydrophobicContact CG2-CD1 3.8Å; I317-I339 HydrophobicContact CG2-CG1 4.16Å |
| 318 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 133.8 | 175.7 | -49.2 | 177.9 | 0 | 0 | 0 | 109.6 | L295 Q298 K299 I300 T316 V321 V327 I336 L337 I339 | L295-L318 HydrophobicContact CD2-CD1 4.43Å; L295-L318 HydrophobicContact CD2-CD2 3.96Å; Q298-L318 HydrophobicContact CB-CD1 3.91Å; Q298-L318 HydrophobicContact CB-CD2 3.93Å; Q298-L318 HydrophobicContact CB-CG 4.42Å; Q298-L318 HydrophobicContact CG-CD1 3.83Å; K299-L318 WeakPolarHBondContact O-CA 3.43Å; I300-L318 HydrophobicContact CB-CD2 4.4Å; I300-L318 HydrophobicContact CG1-CD2 3.78Å; T316-L318 HydrophobicContact CG2-CD2 3.99Å; L318-V321 HydrophobicContact CB-CG2 3.52Å; L318-V327 HydrophobicContact CD1-CG1 4.17Å; L318-V327 HydrophobicContact CD1-CG2 4.1Å; L318-I336 HydrophobicContact CD1-CG2 3.57Å; L318-I336 HydrophobicContact CG-CG2 3.87Å; L318-L337 PolarHBondContact N-O 3.06Å; L318-I339 PolarHBondContact O-N 3.43Å |
| 319 | T | 98.8 | Very high | 98.5 | Very high | 8 Ų | 8 | 42.1 Ų | 42.1 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 160 | 177.1 | 47.1 | 0 | 0 | 0 | 0 | 111.7 | Q254 V258 K299 A301 V321 I339 | Q254-T319 VanDerWaalsContact OE1-CB 3.22Å; V258-T319 HydrophobicContact CG2-CG2 3.56Å; K299-T319 PolarHBondContact O-N 3.23Å; K299-T319 VanDerWaalsContact O-N 3.15Å; A301-T319 HydrophobicContact CB-CG2 3.67Å; T319-V321 PolarHBondContact O-N 2.82Å; T319-I339 HydrophobicContact CG2-CD1 4.39Å |
| 320 | D | 97.4 | Very high | 98.4 | Very high | 95 Ų | 95 | 41.1 Ų | 41.1 | 51% | 0.508 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 52.6 | 39.5 | 178 | -52.6 | -46.9 | 0 | 0 | 0 | 112.8 | Q254 K299 D322 | Q254-D320 PolarHBondContact NE2-OD1 3.15Å; K299-D320 IonicContact NZ-OD2 3.27Å; K299-D320 PolarHBondContact NZ-OD2 2.92Å; D320-D322 PolarHBondContact O-N 2.85Å |
| 321 | V | 98.7 | Very high | 98.4 | Very high | 7 Ų | 7 | 40.9 Ų | 40.9 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | trans | -74.6 | 127.1 | -171.5 | 177.8 | 0 | 0 | 0 | 0 | 111 | L318 T319 P323 V327 M328 P338 I339 V340 | L318-V321 HydrophobicContact CB-CG2 3.52Å; T319-V321 PolarHBondContact O-N 2.82Å; V321-P323 WeakPolarHBondContact O-CD 3.32Å; V321-V327 HydrophobicContact CG1-CG1 3.76Å; V321-M328 HydrophobicContact CG1-CG 3.73Å; V321-P338 HydrophobicContact CB-CB 4.33Å; V321-P338 HydrophobicContact CG1-CB 4.2Å; V321-P338 HydrophobicContact CG2-CB 3.98Å; V321-I339 PolarHBondContact N-O 2.91Å; V321-V340 HydrophobicContact CB-CG2 4.22Å; V321-V340 HydrophobicContact CG1-CG2 4.44Å | ||
| 322 | D | 98.4 | Very high | 98.5 | Very high | 86 Ų | 86 | 37.3 Ų | 37.3 | 46% | 0.46 | 19% | 0.188 | S | C | . | . | trans | -67.6 | 121.4 | 169.9 | 176.5 | 4.4 | 0 | 0 | 0 | 110.2 | D320 N324 S325 | D320-D322 PolarHBondContact O-N 2.85Å; D322-N324 PolarHBondContact O-N 2.93Å; D322-N324 VanDerWaalsContact O-N 3.07Å; D322-N324 WeakPolarHBondContact OD1-CB 3.4Å; D322-N324 PolarHBondContact OD1-N 2.93Å; D322-N324 PolarHBondContact OD1-ND2 3.19Å; D322-S325 WeakPolarHBondContact O-CB 3.42Å; D322-S325 PolarHBondContact O-N 3.14Å; D322-S325 PolarHBondContact O-OG 2.8Å | ||
| 323 | P | 97.8 | Very high | 98.5 | Very high | 40 Ų | 40 | 37.7 Ų | 37.7 | 26% | 0.26 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -22.1 | 176.1 | -28 | 37 | 0 | 0 | 0 | 115.6 | V321 M328 Q329 V340 F351 R355 | V321-P323 WeakPolarHBondContact O-CD 3.32Å; P323-M328 WeakPolarHBondContact O-CB 3.08Å; P323-Q329 PolarHBondContact O-NE2 3.41Å; P323-V340 HydrophobicContact CG-CG1 3.96Å; P323-F351 HydrophobicContact CB-CE2 3.71Å; P323-F351 HydrophobicContact CB-CZ 4.05Å; P323-F351 HydrophobicContact CG-CE2 3.76Å; P323-F351 HydrophobicContact CG-CZ 4.34Å; P323-R355 PolarHBondContact O-NH2 2.86Å |
| 324 | N | 97.8 | Very high | 98.5 | Very high | 124 Ų | 124 | 37.6 Ų | 37.6 | 66% | 0.663 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -10.6 | 179.3 | -59.1 | -56.8 | 0 | 0 | 0 | 113.2 | D322 | D322-N324 PolarHBondContact O-N 2.93Å; D322-N324 VanDerWaalsContact O-N 3.07Å; D322-N324 WeakPolarHBondContact OD1-CB 3.4Å; D322-N324 PolarHBondContact OD1-N 2.93Å; D322-N324 PolarHBondContact OD1-ND2 3.19Å |
| 325 | S | 98.3 | Very high | 98.5 | Very high | 22 Ų | 22 | 37.6 Ų | 37.6 | 15% | 0.154 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -69.9 | 156 | 178.7 | 72.6 | 0 | 0 | 0 | 0 | 111.8 | Q298 D322 V327 M328 Q329 | Q298-S325 VanDerWaalsContact NE2-CB 3.3Å; Q298-S325 PolarHBondContact NE2-OG 3.44Å; D322-S325 WeakPolarHBondContact O-CB 3.42Å; D322-S325 PolarHBondContact O-N 3.14Å; D322-S325 PolarHBondContact O-OG 2.8Å; S325-V327 VanDerWaalsContact C-N 3.25Å; S325-V327 PolarHBondContact O-N 2.98Å; S325-V327 VanDerWaalsContact O-N 3.11Å; S325-M328 PolarHBondContact O-N 3.29Å; S325-Q329 WeakPolarHBondContact O-CG 3.48Å; S325-Q329 PolarHBondContact O-N 2.86Å |
| 326 | K | 98.1 | Very high | 98.5 | Very high | 146 Ų | 146 | 37.6 Ų | 37.6 | 64% | 0.635 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -52.4 | -39.6 | -173.3 | -67.5 | -173.8 | 178.6 | -176 | 0 | 114 | L294 M328 Q329 | L294-K326 HydrophobicContact CD2-CB 4.06Å; K326-M328 PolarHBondContact O-N 2.84Å; K326-M328 VanDerWaalsContact O-N 3.13Å; K326-Q329 PolarHBondContact O-N 3.4Å |
| 327 | V | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -62.1 | -21.2 | -179.8 | 75.7 | 0 | 0 | 0 | 0 | 112.9 | K211 L294 L318 V321 S325 I332 I336 P338 | K211-V327 PolarHBondContact NZ-O 2.82Å; L294-V327 HydrophobicContact CB-CB 4.16Å; L294-V327 HydrophobicContact CB-CG2 4.1Å; L294-V327 HydrophobicContact CD1-CG2 4.39Å; L318-V327 HydrophobicContact CD1-CG1 4.17Å; L318-V327 HydrophobicContact CD1-CG2 4.1Å; V321-V327 HydrophobicContact CG1-CG1 3.76Å; S325-V327 VanDerWaalsContact C-N 3.25Å; S325-V327 PolarHBondContact O-N 2.98Å; S325-V327 VanDerWaalsContact O-N 3.11Å; V327-I332 HydrophobicContact CG2-CD1 3.85Å; V327-I332 HydrophobicContact CG2-CG1 4.14Å; V327-I336 HydrophobicContact CG2-CG2 4.12Å; V327-P338 HydrophobicContact CG1-CG 4.11Å; V327-P338 HydrophobicContact CG2-CG 3.66Å |
| 328 | M | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -100.6 | 0.6 | 176.5 | -71.7 | -54.6 | -60.9 | 0 | 0 | 114.2 | K211 Y246 V321 P323 S325 K326 P338 V340 F351 R355 | K211-M328 WeakPolarHBondContact CE-O 3.29Å; Y246-M328 HydrophobicContact CD1-CE 3.92Å; Y246-M328 HydrophobicContact CD2-CE 3.69Å; Y246-M328 HydrophobicContact CE1-CE 4.21Å; Y246-M328 HydrophobicContact CE2-CE 3.96Å; Y246-M328 HydrophobicContact CG-CE 3.65Å; Y246-M328 HydrophobicContact CG-SD 4.11Å; V321-M328 HydrophobicContact CG1-CG 3.73Å; P323-M328 WeakPolarHBondContact O-CB 3.08Å; S325-M328 PolarHBondContact O-N 3.29Å; K326-M328 PolarHBondContact O-N 2.84Å; K326-M328 VanDerWaalsContact O-N 3.13Å; M328-P338 HydrophobicContact SD-CB 3.92Å; M328-P338 HydrophobicContact SD-CG 4.15Å; M328-V340 HydrophobicContact CE-CG2 3.99Å; M328-V340 HydrophobicContact CG-CG2 4.21Å; M328-V340 HydrophobicContact SD-CG2 3.97Å; M328-F351 HydrophobicContact CE-CE1 4.05Å; M328-F351 HydrophobicContact CE-CZ 3.9Å; M328-R355 PolarHBondContact O-NH1 3.48Å |
| 329 | Q | 98.2 | Very high | 98.5 | Very high | 115 Ų | 115 | 37.6 Ų | 37.6 | 54% | 0.537 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -14.5 | -177.1 | -63.5 | -60.5 | -52.2 | 0 | 0 | 114 | P323 S325 K326 | P323-Q329 PolarHBondContact O-NE2 3.41Å; S325-Q329 WeakPolarHBondContact O-CG 3.48Å; S325-Q329 PolarHBondContact O-N 2.86Å; K326-Q329 PolarHBondContact O-N 3.4Å |
| 330 | E | 97.1 | Very high | 98.5 | Very high | 74 Ų | 74 | 37.4 Ų | 37.4 | 35% | 0.346 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -131.2 | 159.6 | 173.5 | 61.6 | 177.7 | -123.2 | 0 | 0 | 111.4 | K211 R290 L294 I332 | K211-E330 WeakPolarHBondContact CD-O 3.31Å; K211-E330 PolarHBondContact NZ-O 3.12Å; R290-E330 VanDerWaalsContact CD-OE1 3.25Å; R290-E330 WeakPolarHBondContact CD-OE1 3.44Å; R290-E330 WeakPolarHBondContact CG-OE1 3.3Å; R290-E330 IonicContact CZ-OE1 3.92Å; R290-E330 IonicContact NE-OE1 3.27Å; R290-E330 IonicContact NH1-OE1 2.92Å; R290-E330 PolarHBondContact NH1-OE1 3.4Å; L294-E330 HydrophobicContact CD2-CG 4.08Å; E330-I332 PolarHBondContact O-N 3.49Å |
| 331 | E | 98.6 | Very high | 98.5 | Very high | 49 Ų | 49 | 35.2 Ų | 35.2 | 23% | 0.229 | 18% | 0.181 | C | C | . | . | trans | -60.9 | 128.4 | 169.7 | -177.6 | 177.8 | -165.3 | 0 | 0 | 109.9 | G210 R290 F333 | G210-E331 PolarHBondContact N-OE2 3.33Å; R290-E331 PolarHBondContact NH1-O 2.93Å; E331-F333 HydrophobicContact CG-CB 4.37Å; E331-F333 HydrophobicContact CG-CD2 4.29Å; E331-F333 WeakPolarHBondContact OE1-CD2 3.33Å | ||
| 332 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -72.3 | -49.8 | -172.5 | -62.2 | 175.7 | 0 | 0 | 0 | 109.5 | D245 R290 L291 L294 V327 E330 G334 I336 P338 | D245-I332 WeakPolarHBondContact O-CD1 3.31Å; D245-I332 WeakPolarHBondContact OD2-CB 3.39Å; D245-I332 WeakPolarHBondContact OD2-CG1 3.42Å; D245-I332 PolarHBondContact OD2-N 2.9Å; R290-I332 PolarHBondContact NH1-O 3.24Å; R290-I332 PolarHBondContact NH2-O 3.36Å; L291-I332 HydrophobicContact CD2-CG2 3.99Å; L291-I332 WeakPolarHBondContact CD2-O 3.47Å; L294-I332 HydrophobicContact CD1-CG2 4.46Å; V327-I332 HydrophobicContact CG2-CD1 3.85Å; V327-I332 HydrophobicContact CG2-CG1 4.14Å; E330-I332 PolarHBondContact O-N 3.49Å; I332-G334 VanDerWaalsContact C-N 3.25Å; I332-G334 PolarHBondContact O-N 3.45Å; I332-I336 VanDerWaalsContact CD1-O 3.32Å; I332-I336 WeakPolarHBondContact CD1-O 3.32Å; I332-I336 HydrophobicContact CG2-CB 3.91Å; I332-P338 HydrophobicContact CD1-CG 3.5Å | ||
| 333 | F | 98.8 | Very high | 98.5 | Very high | 23 Ų | 23 | 38.4 Ų | 38.4 | 10% | 0.101 | 19% | 0.191 | C | C | . | . | trans | 48.4 | 48.9 | 179.9 | -139.5 | -104.1 | 0 | 0 | 0 | 112.8 | W111 N112 G238 Q239 E331 | W111-F333 AromaticContact CH2-CD1 3.52Å; W111-F333 HydrophobicContact CH2-CD1 3.52Å; W111-F333 AromaticContact CH2-CE1 3.27Å; W111-F333 HydrophobicContact CH2-CE1 3.27Å; W111-F333 AromaticContact CZ2-CD1 3.68Å; W111-F333 HydrophobicContact CZ2-CD1 3.68Å; W111-F333 AromaticContact CZ2-CE1 3.37Å; W111-F333 HydrophobicContact CZ2-CE1 3.37Å; W111-F333 HydrophobicContact CZ3-CE1 4.01Å; N112-F333 HydrophobicContact CB-CE1 3.95Å; N112-F333 HydrophobicContact CB-CZ 3.97Å; N112-F333 WeakPolarHBondContact ND2-CZ 3.24Å; G238-F333 CarbonylContact O-C 3.47Å; G238-F333 WeakPolarHBondContact O-CA 3.47Å; Q239-F333 VanDerWaalsContact C-CZ 3.47Å; Q239-F333 HydrophobicContact CB-CD1 3.83Å; Q239-F333 HydrophobicContact CB-CE1 3.74Å; Q239-F333 HydrophobicContact CB-CZ 4.5Å; Q239-F333 HydrophobicContact CG-CD1 4.21Å; E331-F333 HydrophobicContact CG-CB 4.37Å; E331-F333 HydrophobicContact CG-CD2 4.29Å; E331-F333 WeakPolarHBondContact OE1-CD2 3.33Å | ||
| 334 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -175.8 | 172.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K233 C237 G238 I332 I336 | K233-G334 WeakPolarHBondContact CE-O 3.44Å; K233-G334 PolarHBondContact NZ-O 2.76Å; C237-G334 CarbonylContact O-C 3.52Å; C237-G334 WeakPolarHBondContact O-CA 3.32Å; G238-G334 PolarHBondContact O-N 3.5Å; G238-G334 VanDerWaalsContact O-N 3.15Å; I332-G334 VanDerWaalsContact C-N 3.25Å; I332-G334 PolarHBondContact O-N 3.45Å; G334-I336 PolarHBondContact O-N 2.93Å |
| 335 | P | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -87.7 | 45.1 | -168 | 32.4 | -29 | 0 | 0 | 0 | 112 | Y234 C237 Y279 I282 L313 T316 | Y234-P335 HydrophobicContact CD1-CB 3.87Å; Y234-P335 HydrophobicContact CE1-CB 4.26Å; C237-P335 HydrophobicContact CB-CB 4.47Å; C237-P335 HydrophobicContact CB-CG 4.16Å; C237-P335 WeakPolarHBondContact O-CD 2.94Å; Y279-P335 WeakPolarHBondContact OH-CB 3.37Å; Y279-P335 WeakPolarHBondContact OH-CG 3.4Å; I282-P335 HydrophobicContact CD1-CG 4.45Å; L313-P335 HydrophobicContact CB-CG 4.12Å; L313-P335 HydrophobicContact CD2-CG 3.6Å; L313-P335 HydrophobicContact CG-CG 4.45Å; L313-P335 WeakPolarHBondContact O-CG 3.45Å; T316-P335 PolarHBondContact N-O 2.9Å |
| 336 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 119.9 | 177.1 | -54.6 | 169.5 | 0 | 0 | 0 | 108 | K233 L291 L294 L295 L313 T316 L318 V327 I332 G334 P338 | K233-I336 WeakPolarHBondContact CE-O 3.45Å; K233-I336 PolarHBondContact NZ-O 3.36Å; L291-I336 HydrophobicContact CB-CD1 4.22Å; L291-I336 HydrophobicContact CD2-CD1 4.08Å; L294-I336 HydrophobicContact CB-CD1 4.31Å; L295-I336 HydrophobicContact CD1-CD1 4.46Å; L295-I336 HydrophobicContact CD2-CD1 3.69Å; L295-I336 HydrophobicContact CD2-CG1 3.98Å; L295-I336 HydrophobicContact CD2-CG2 3.91Å; L295-I336 HydrophobicContact CG-CD1 3.88Å; L313-I336 HydrophobicContact CD2-CD1 4.44Å; L313-I336 HydrophobicContact CD2-CG1 3.89Å; T316-I336 CarbonylContact O-C 3.57Å; T316-I336 WeakPolarHBondContact O-CA 3.38Å; L318-I336 HydrophobicContact CD1-CG2 3.57Å; L318-I336 HydrophobicContact CG-CG2 3.87Å; V327-I336 HydrophobicContact CG2-CG2 4.12Å; I332-I336 VanDerWaalsContact CD1-O 3.32Å; I332-I336 WeakPolarHBondContact CD1-O 3.32Å; I332-I336 HydrophobicContact CG2-CB 3.91Å; G334-I336 PolarHBondContact O-N 2.93Å; I336-P338 WeakPolarHBondContact O-CD 3.28Å |
| 337 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 97.5 | -177.6 | -172.9 | 60.9 | 0 | 0 | 0 | 110.9 | V229 K233 I247 I261 T316 I317 L318 | V229-L337 HydrophobicContact CG1-CD2 4.05Å; K233-L337 HydrophobicContact CD-CB 4.38Å; K233-L337 HydrophobicContact CD-CD1 4.01Å; K233-L337 HydrophobicContact CG-CB 4.16Å; K233-L337 HydrophobicContact CG-CD1 4.21Å; K233-L337 HydrophobicContact CG-CD2 4.31Å; K233-L337 HydrophobicContact CG-CG 4.47Å; I247-L337 HydrophobicContact CD1-CD1 4.49Å; I247-L337 HydrophobicContact CD1-CD2 3.85Å; I247-L337 HydrophobicContact CD1-CG 4.24Å; I247-L337 HydrophobicContact CG1-CD1 4.2Å; I247-L337 HydrophobicContact CG1-CD2 4.44Å; I247-L337 HydrophobicContact CG1-CG 4.41Å; I261-L337 HydrophobicContact CD1-CD2 3.72Å; T316-L337 PolarHBondContact O-N 2.88Å; I317-L337 WeakPolarHBondContact CA-O 3.33Å; L318-L337 PolarHBondContact N-O 3.06Å |
| 338 | P | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 140.3 | 172.7 | -18.5 | 33.7 | 0 | 0 | 0 | 111.7 | D245 Y246 I247 V321 V327 M328 I332 I336 | D245-P338 WeakPolarHBondContact O-CD 3.39Å; Y246-P338 WeakPolarHBondContact CA-O 3.39Å; I247-P338 PolarHBondContact N-O 2.87Å; V321-P338 HydrophobicContact CB-CB 4.33Å; V321-P338 HydrophobicContact CG1-CB 4.2Å; V321-P338 HydrophobicContact CG2-CB 3.98Å; V327-P338 HydrophobicContact CG1-CG 4.11Å; V327-P338 HydrophobicContact CG2-CG 3.66Å; M328-P338 HydrophobicContact SD-CB 3.92Å; M328-P338 HydrophobicContact SD-CG 4.15Å; I332-P338 HydrophobicContact CD1-CG 3.5Å; I336-P338 WeakPolarHBondContact O-CD 3.28Å |
| 339 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 118.1 | 167.3 | -51.1 | 178.5 | 0 | 0 | 0 | 108.5 | I247 Q254 I257 V258 I317 L318 T319 V321 | I247-I339 HydrophobicContact CB-CG1 4.28Å; I247-I339 HydrophobicContact CB-CG2 4.32Å; I247-I339 HydrophobicContact CD1-CG1 4.4Å; I247-I339 HydrophobicContact CG2-CG2 4.11Å; Q254-I339 HydrophobicContact CG-CG2 3.86Å; I257-I339 HydrophobicContact CB-CD1 4.41Å; I257-I339 HydrophobicContact CG2-CD1 3.83Å; V258-I339 HydrophobicContact CG2-CD1 4.03Å; I317-I339 HydrophobicContact CG2-CD1 3.8Å; I317-I339 HydrophobicContact CG2-CG1 4.16Å; L318-I339 PolarHBondContact O-N 3.43Å; T319-I339 HydrophobicContact CG2-CD1 4.39Å; V321-I339 PolarHBondContact N-O 2.91Å |
| 340 | V | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.024 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 124.1 | 176.2 | 177.4 | 0 | 0 | 0 | 0 | 108.4 | I247 L248 C249 V321 P323 M328 F351 | I247-V340 PolarHBondContact O-N 3.08Å; L248-V340 WeakPolarHBondContact CA-O 3.13Å; L248-V340 HydrophobicContact CD2-CB 3.93Å; L248-V340 HydrophobicContact CD2-CG1 4.03Å; C249-V340 PolarHBondContact N-O 2.79Å; V321-V340 HydrophobicContact CB-CG2 4.22Å; V321-V340 HydrophobicContact CG1-CG2 4.44Å; P323-V340 HydrophobicContact CG-CG1 3.96Å; M328-V340 HydrophobicContact CE-CG2 3.99Å; M328-V340 HydrophobicContact CG-CG2 4.21Å; M328-V340 HydrophobicContact SD-CG2 3.97Å; V340-F351 HydrophobicContact CG1-CE2 4.06Å; V340-F351 HydrophobicContact CG1-CZ 4.19Å |
| 341 | S | 98.6 | Very high | 98.8 | Very high | 49 Ų | 49 | 29.7 Ų | 29.7 | 34% | 0.343 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 132.5 | 179.8 | -70.9 | 0 | 0 | 0 | 0 | 111.7 | C249 A251 Q254 | C249-S341 CarbonylContact O-C 3.57Å; C249-S341 VanDerWaalsContact O-CA 3.26Å; C249-S341 WeakPolarHBondContact O-CA 3.29Å; A251-S341 WeakPolarHBondContact CA-OG 3.27Å; A251-S341 WeakPolarHBondContact CB-OG 3.06Å; Q254-S341 PolarHBondContact NE2-OG 2.97Å |
| 342 | V | 98.7 | Very high | 98.8 | Very high | 10 Ų | 10 | 27.7 Ų | 27.7 | 6% | 0.061 | 14% | 0.141 | C | C | . | . | trans | -129.5 | 147 | 171.6 | -68.6 | 0 | 0 | 0 | 0 | 109.1 | Y215 L248 C249 E250 E347 A348 | Y215-V342 HydrophobicContact CE2-CG2 4.12Å; L248-V342 HydrophobicContact CB-CG2 4.15Å; L248-V342 HydrophobicContact CD2-CG1 3.8Å; C249-V342 PolarHBondContact O-N 2.9Å; E250-V342 VanDerWaalsContact CA-O 3.28Å; E250-V342 WeakPolarHBondContact CA-O 3.24Å; V342-E347 HydrophobicContact CB-CB 4.07Å; V342-E347 HydrophobicContact CG1-CB 4.41Å; V342-A348 HydrophobicContact CG2-CB 4.06Å | ||
| 343 | K | 98.1 | Very high | 98.8 | Very high | 151 Ų | 151 | 31.4 Ų | 31.4 | 66% | 0.657 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -74.2 | -27.8 | -174.8 | -63.5 | -174.3 | -153.7 | 112.1 | 0 | 113.8 | E347 | K343-E347 WeakPolarHBondContact CB-OE2 3.39Å; K343-E347 VanDerWaalsContact CD-OE1 3.31Å; K343-E347 WeakPolarHBondContact CD-OE1 3.42Å; K343-E347 WeakPolarHBondContact CE-OE1 3.42Å; K343-E347 WeakPolarHBondContact CG-OE1 3.35Å; K343-E347 WeakPolarHBondContact CG-OE2 3.42Å; K343-E347 PolarHBondContact N-OE2 2.89Å; K343-E347 IonicContact NZ-OE1 2.79Å; K343-E347 PolarHBondContact NZ-OE1 3.41Å |
| 344 | N | 98.1 | Very high | 98.8 | Very high | 60 Ų | 60 | 37 Ų | 37 | 32% | 0.321 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -164.9 | -179.1 | -175.1 | 55.7 | 42.8 | 0 | 0 | 0 | 110.4 | D346 E347 A348 | N344-D346 VanDerWaalsContact C-N 3.29Å; N344-D346 PolarHBondContact O-N 2.88Å; N344-D346 WeakPolarHBondContact OD1-CA 3.42Å; N344-D346 WeakPolarHBondContact OD1-CB 3.28Å; N344-D346 PolarHBondContact OD1-N 3.2Å; N344-E347 PolarHBondContact O-N 2.81Å; N344-E347 PolarHBondContact OD1-N 3.5Å; N344-A348 PolarHBondContact O-N 3.15Å |
| 345 | V | 98.7 | Very high | 98.8 | Very high | 17 Ų | 17 | 40.1 Ų | 40.1 | 10% | 0.103 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.3 | -29 | 178.4 | 69.3 | 0 | 0 | 0 | 0 | 113.2 | Y215 A348 I349 L370 V374 | Y215-V345 HydrophobicContact CE1-CB 4.32Å; Y215-V345 HydrophobicContact CE1-CG2 4.17Å; Y215-V345 PolarHBondContact OH-N 2.81Å; V345-A348 WeakPolarHBondContact O-CB 3.36Å; V345-A348 PolarHBondContact O-N 3.17Å; V345-I349 HydrophobicContact CG2-CD1 3.94Å; V345-I349 HydrophobicContact CG2-CG1 4.28Å; V345-I349 VanDerWaalsContact O-CG1 3.31Å; V345-I349 WeakPolarHBondContact O-CG1 3.36Å; V345-I349 PolarHBondContact O-N 3.24Å; V345-L370 HydrophobicContact CB-CD1 4.15Å; V345-L370 HydrophobicContact CB-CG 4.38Å; V345-L370 HydrophobicContact CG1-CD1 4.38Å; V345-L370 HydrophobicContact CG2-CD1 4.3Å; V345-L370 HydrophobicContact CG2-CD2 4.05Å; V345-L370 HydrophobicContact CG2-CG 4Å; V345-V374 HydrophobicContact CG2-CG2 3.52Å |
| 346 | D | 98.8 | Very high | 98.8 | Very high | 66 Ų | 66 | 47 Ų | 47 | 35% | 0.353 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.1 | -47 | 178.8 | -56.4 | -34.3 | 0 | 0 | 0 | 110.6 | N344 A348 I349 N350 R373 | N344-D346 VanDerWaalsContact C-N 3.29Å; N344-D346 PolarHBondContact O-N 2.88Å; N344-D346 WeakPolarHBondContact OD1-CA 3.42Å; N344-D346 WeakPolarHBondContact OD1-CB 3.28Å; N344-D346 PolarHBondContact OD1-N 3.2Å; D346-A348 VanDerWaalsContact C-N 3.27Å; D346-A348 PolarHBondContact O-N 3.42Å; D346-I349 PolarHBondContact O-N 2.97Å; D346-N350 VanDerWaalsContact O-CG 3.29Å; D346-N350 PolarHBondContact O-N 3.46Å; D346-N350 PolarHBondContact O-ND2 3.3Å; D346-R373 IonicContact OD1-CZ 3.13Å; D346-R373 IonicContact OD1-NH1 3.6Å; D346-R373 PolarHBondContact OD1-NH1 2.85Å; D346-R373 IonicContact OD1-NH2 2.75Å; D346-R373 PolarHBondContact OD1-NH2 3.01Å |
| 347 | E | 98.8 | Very high | 98.7 | Very high | 63 Ų | 63 | 51.2 Ų | 51.2 | 29% | 0.294 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62 | -36.4 | 173.9 | -72.4 | -171.9 | -174.4 | 0 | 0 | 111.6 | V342 K343 N344 F351 | V342-E347 HydrophobicContact CB-CB 4.07Å; V342-E347 HydrophobicContact CG1-CB 4.41Å; K343-E347 WeakPolarHBondContact CB-OE2 3.39Å; K343-E347 VanDerWaalsContact CD-OE1 3.31Å; K343-E347 WeakPolarHBondContact CD-OE1 3.42Å; K343-E347 WeakPolarHBondContact CE-OE1 3.42Å; K343-E347 WeakPolarHBondContact CG-OE1 3.35Å; K343-E347 WeakPolarHBondContact CG-OE2 3.42Å; K343-E347 PolarHBondContact N-OE2 2.89Å; K343-E347 IonicContact NZ-OE1 2.79Å; K343-E347 PolarHBondContact NZ-OE1 3.41Å; N344-E347 PolarHBondContact O-N 2.81Å; N344-E347 PolarHBondContact OD1-N 3.5Å; E347-F351 VanDerWaalsContact O-CB 3.25Å; E347-F351 WeakPolarHBondContact O-CB 3.2Å; E347-F351 PolarHBondContact O-N 3.02Å |
| 348 | A | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65 | -46.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y215 L248 V342 N344 V345 D346 F351 I352 | Y215-A348 HydrophobicContact CD2-CB 3.41Å; Y215-A348 VanDerWaalsContact CD2-CB 3.41Å; Y215-A348 HydrophobicContact CE2-CB 3.51Å; Y215-A348 HydrophobicContact CG-CB 4.32Å; L248-A348 HydrophobicContact CD1-CB 4.28Å; V342-A348 HydrophobicContact CG2-CB 4.06Å; N344-A348 PolarHBondContact O-N 3.15Å; V345-A348 WeakPolarHBondContact O-CB 3.36Å; V345-A348 PolarHBondContact O-N 3.17Å; D346-A348 VanDerWaalsContact C-N 3.27Å; D346-A348 PolarHBondContact O-N 3.42Å; A348-F351 PolarHBondContact O-N 3.4Å; A348-I352 VanDerWaalsContact O-CG1 3.25Å; A348-I352 WeakPolarHBondContact O-CG1 3.45Å; A348-I352 PolarHBondContact O-N 3.47Å |
| 349 | I | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61 | -47 | 177.8 | -73.2 | 166.4 | 0 | 0 | 0 | 110.1 | V345 D346 F351 I352 N353 R373 V374 E377 T378 | V345-I349 HydrophobicContact CG2-CD1 3.94Å; V345-I349 HydrophobicContact CG2-CG1 4.28Å; V345-I349 VanDerWaalsContact O-CG1 3.31Å; V345-I349 WeakPolarHBondContact O-CG1 3.36Å; V345-I349 PolarHBondContact O-N 3.24Å; D346-I349 PolarHBondContact O-N 2.97Å; I349-F351 PolarHBondContact O-N 3.3Å; I349-I352 PolarHBondContact O-N 3.02Å; I349-N353 WeakPolarHBondContact O-CB 3.4Å; I349-N353 PolarHBondContact O-N 3.38Å; I349-N353 PolarHBondContact O-ND2 3.08Å; I349-R373 HydrophobicContact CD1-CG 4.42Å; I349-V374 HydrophobicContact CD1-CG2 4.28Å; I349-V374 HydrophobicContact CG1-CG2 4.27Å; I349-E377 HydrophobicContact CD1-CB 4.14Å; I349-E377 HydrophobicContact CG2-CB 3.85Å; I349-T378 HydrophobicContact CB-CG2 4.45Å; I349-T378 HydrophobicContact CG1-CG2 4.27Å; I349-T378 HydrophobicContact CG2-CG2 4.09Å |
| 350 | N | 98.9 | Very high | 98.7 | Very high | 95 Ų | 95 | 51.6 Ų | 51.6 | 51% | 0.508 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 176.9 | -68.9 | -24.8 | 0 | 0 | 0 | 111.4 | D346 I352 N353 D354 | D346-N350 VanDerWaalsContact O-CG 3.29Å; D346-N350 PolarHBondContact O-N 3.46Å; D346-N350 PolarHBondContact O-ND2 3.3Å; N350-I352 VanDerWaalsContact C-N 3.27Å; N350-I352 PolarHBondContact O-N 3.21Å; N350-N353 PolarHBondContact O-N 3.04Å; N350-N353 VanDerWaalsContact O-N 3.14Å; N350-D354 WeakPolarHBondContact O-CB 3.31Å; N350-D354 VanDerWaalsContact O-CG 3.28Å; N350-D354 PolarHBondContact O-N 3.36Å |
| 351 | F | 98.9 | Very high | 98.7 | Very high | 31 Ų | 31 | 51.5 Ų | 51.5 | 14% | 0.136 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.6 | -39.6 | 177.8 | -172.3 | -83.2 | 0 | 0 | 0 | 113 | Y246 L248 P323 M328 V340 E347 A348 I349 R355 | Y246-F351 HydrophobicContact CD2-CE1 4.48Å; Y246-F351 HydrophobicContact CE2-CD1 4.07Å; Y246-F351 AromaticContact CE2-CE1 3.55Å; Y246-F351 HydrophobicContact CE2-CE1 3.55Å; Y246-F351 AromaticContact CZ-CE1 3.85Å; L248-F351 HydrophobicContact CD1-CD1 3.94Å; L248-F351 HydrophobicContact CD1-CG 4.48Å; L248-F351 HydrophobicContact CD2-CD1 3.81Å; L248-F351 HydrophobicContact CD2-CE1 4.01Å; L248-F351 HydrophobicContact CD2-CG 4.11Å; L248-F351 HydrophobicContact CD2-CZ 4.46Å; L248-F351 HydrophobicContact CG-CD1 4.45Å; P323-F351 HydrophobicContact CB-CE2 3.71Å; P323-F351 HydrophobicContact CB-CZ 4.05Å; P323-F351 HydrophobicContact CG-CE2 3.76Å; P323-F351 HydrophobicContact CG-CZ 4.34Å; M328-F351 HydrophobicContact CE-CE1 4.05Å; M328-F351 HydrophobicContact CE-CZ 3.9Å; V340-F351 HydrophobicContact CG1-CE2 4.06Å; V340-F351 HydrophobicContact CG1-CZ 4.19Å; E347-F351 VanDerWaalsContact O-CB 3.25Å; E347-F351 WeakPolarHBondContact O-CB 3.2Å; E347-F351 PolarHBondContact O-N 3.02Å; A348-F351 PolarHBondContact O-N 3.4Å; I349-F351 PolarHBondContact O-N 3.3Å; F351-R355 VanDerWaalsContact CZ-NH2 3.34Å; F351-R355 WeakPolarHBondContact O-CD 3.46Å |
| 352 | I | 98.9 | Very high | 98.8 | Very high | 8 Ų | 8 | 49.2 Ų | 49.2 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.5 | -45.2 | 177.5 | -67.7 | 167.1 | 0 | 0 | 0 | 110.2 | P213 L248 A348 I349 N350 D354 R355 L361 T378 | P213-I352 HydrophobicContact CB-CD1 3.98Å; P213-I352 HydrophobicContact CB-CG1 3.95Å; P213-I352 HydrophobicContact CG-CD1 3.9Å; P213-I352 HydrophobicContact CG-CG1 3.94Å; P213-I352 HydrophobicContact CG-CG2 4.3Å; L248-I352 HydrophobicContact CD1-CD1 4.08Å; L248-I352 HydrophobicContact CD1-CG1 3.87Å; A348-I352 VanDerWaalsContact O-CG1 3.25Å; A348-I352 WeakPolarHBondContact O-CG1 3.45Å; A348-I352 PolarHBondContact O-N 3.47Å; I349-I352 PolarHBondContact O-N 3.02Å; N350-I352 VanDerWaalsContact C-N 3.27Å; N350-I352 PolarHBondContact O-N 3.21Å; I352-D354 VanDerWaalsContact C-N 3.34Å; I352-D354 PolarHBondContact O-N 3.29Å; I352-R355 PolarHBondContact O-N 3.5Å; I352-L361 HydrophobicContact CD1-CD1 4.01Å; I352-L361 HydrophobicContact CG2-CD1 4.12Å; I352-T378 HydrophobicContact CB-CG2 4.36Å; I352-T378 HydrophobicContact CG2-CG2 4.04Å |
| 353 | N | 98.9 | Very high | 98.8 | Very high | 77 Ų | 77 | 48.7 Ų | 48.7 | 41% | 0.412 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -71.5 | -25.1 | -176.5 | -73.5 | -22 | 0 | 0 | 0 | 113.9 | I349 N350 R355 E377 | I349-N353 WeakPolarHBondContact O-CB 3.4Å; I349-N353 PolarHBondContact O-N 3.38Å; I349-N353 PolarHBondContact O-ND2 3.08Å; N350-N353 PolarHBondContact O-N 3.04Å; N350-N353 VanDerWaalsContact O-N 3.14Å; N353-R355 PolarHBondContact O-N 3.04Å; N353-E377 PolarHBondContact ND2-O 2.93Å |
| 354 | D | 98.6 | Very high | 98.8 | Very high | 140 Ų | 140 | 41.7 Ų | 41.7 | 75% | 0.749 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | 1.2 | 174.9 | -72.4 | -19.7 | 0 | 0 | 0 | 113.1 | N350 I352 | N350-D354 WeakPolarHBondContact O-CB 3.31Å; N350-D354 VanDerWaalsContact O-CG 3.28Å; N350-D354 PolarHBondContact O-N 3.36Å; I352-D354 VanDerWaalsContact C-N 3.34Å; I352-D354 PolarHBondContact O-N 3.29Å |
| 355 | R | 98.8 | Very high | 98.8 | Very high | 67 Ų | 67 | 38.9 Ų | 38.9 | 25% | 0.253 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -123.8 | 167.4 | -177.6 | -66.2 | 173.3 | 176.4 | -89.8 | 1.1 | 110.9 | P323 M328 F351 I352 N353 | P323-R355 PolarHBondContact O-NH2 2.86Å; M328-R355 PolarHBondContact O-NH1 3.48Å; F351-R355 VanDerWaalsContact CZ-NH2 3.34Å; F351-R355 WeakPolarHBondContact O-CD 3.46Å; I352-R355 PolarHBondContact O-N 3.5Å; N353-R355 PolarHBondContact O-N 3.04Å |
| 356 | E | 98.7 | Very high | 98.8 | Very high | 145 Ų | 145 | 45.6 Ų | 45.6 | 68% | 0.678 | 22% | 0.215 | S | C | * | . | P | Polyproline II helix | trans | -59.8 | 141.5 | 173.9 | -71.7 | -62 | 162.2 | 0 | 0 | 111.7 | P358 A404 | E356-P358 WeakPolarHBondContact O-CD 3.48Å; E356-A404 HydrophobicContact CB-CB 3.97Å; E356-A404 HydrophobicContact CG-CB 4Å; E356-A404 VanDerWaalsContact OE2-CB 3.3Å; E356-A404 WeakPolarHBondContact OE2-CB 3.34Å |
| 357 | K | 98.9 | Very high | 98.8 | Very high | 88 Ų | 88 | 45.7 Ų | 45.7 | 38% | 0.383 | 22% | 0.215 | S | C | . | . | P | Polyproline II helix | trans | -61.8 | 121.2 | -178.2 | -65.1 | -178.6 | 178.9 | -162.5 | 0 | 110.9 | S379 V402 S405 | K357-S379 WeakPolarHBondContact CD-OG 3.48Å; K357-S379 WeakPolarHBondContact CE-OG 3.26Å; K357-S379 PolarHBondContact NZ-OG 3.31Å; K357-V402 HydrophobicContact CB-CG1 4.1Å; K357-V402 WeakPolarHBondContact CB-O 3.47Å; K357-V402 HydrophobicContact CD-CG1 3.98Å; K357-V402 HydrophobicContact CD-CG2 4.2Å; K357-S405 VanDerWaalsContact O-CB 3.25Å; K357-S405 WeakPolarHBondContact O-CB 3.42Å; K357-S405 PolarHBondContact O-OG 3.47Å |
| 358 | P | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -81 | 162.6 | -175.4 | 33.9 | -36.4 | 0 | 0 | 0 | 112.1 | P213 E356 A360 S380 G381 S405 | P213-P358 HydrophobicContact CG-CG 4.26Å; E356-P358 WeakPolarHBondContact O-CD 3.48Å; P358-A360 WeakPolarHBondContact CB-O 3.32Å; P358-A360 WeakPolarHBondContact CG-O 3.44Å; P358-S380 VanDerWaalsContact O-CA 3.28Å; P358-S380 WeakPolarHBondContact O-CA 3.38Å; P358-S380 WeakPolarHBondContact O-CB 3.4Å; P358-G381 PolarHBondContact O-N 3Å; P358-S405 PolarHBondContact O-OG 3.14Å |
| 359 | L | 98.8 | Very high | 98.8 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -67 | -41.3 | 174.4 | -176.7 | 60.7 | 0 | 0 | 0 | 111.4 | C241 I242 G381 G382 F399 | C241-L359 HydrophobicContact CB-CD2 3.6Å; I242-L359 HydrophobicContact CG2-CB 4.48Å; I242-L359 HydrophobicContact CG2-CD2 3.5Å; I242-L359 HydrophobicContact CG2-CG 3.75Å; L359-G381 CarbonylContact O-C 3.58Å; L359-G381 WeakPolarHBondContact O-CA 3.5Å; L359-G381 PolarHBondContact O-N 3.37Å; L359-G382 PolarHBondContact O-N 3.21Å; L359-F399 HydrophobicContact CD2-CZ 3.95Å |
| 360 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 154.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S212 P213 I242 P358 Y362 G382 | S212-A360 VanDerWaalsContact CA-O 3.24Å; S212-A360 WeakPolarHBondContact CA-O 3.37Å; S212-A360 WeakPolarHBondContact CB-O 3.4Å; S212-A360 PolarHBondContact OG-N 3.47Å; S212-A360 PolarHBondContact OG-O 3.47Å; P213-A360 WeakPolarHBondContact CD-O 3.25Å; I242-A360 HydrophobicContact CB-CB 4.1Å; I242-A360 HydrophobicContact CG2-CB 3.93Å; P358-A360 WeakPolarHBondContact CB-O 3.32Å; P358-A360 WeakPolarHBondContact CG-O 3.44Å; A360-Y362 HydrophobicContact CB-CE1 4.22Å; A360-Y362 HydrophobicContact CB-CE2 4.03Å; A360-G382 CarbonylContact C-O 3.59Å; A360-G382 WeakPolarHBondContact CA-O 3.21Å |
| 361 | L | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 136.3 | 170.4 | 174.3 | 150 | 0 | 0 | 0 | 109.5 | P213 I352 V363 V374 T378 G382 V383 T384 | P213-L361 HydrophobicContact CG-CB 4.23Å; P213-L361 HydrophobicContact CG-CD1 4.01Å; P213-L361 HydrophobicContact CG-CG 4.02Å; I352-L361 HydrophobicContact CD1-CD1 4.01Å; I352-L361 HydrophobicContact CG2-CD1 4.12Å; L361-V363 HydrophobicContact CD2-CG2 3.48Å; L361-V363 VanDerWaalsContact CD2-CG2 3.48Å; L361-V374 HydrophobicContact CD1-CG1 4.33Å; L361-V374 HydrophobicContact CD2-CG1 3.95Å; L361-T378 HydrophobicContact CD1-CG2 4.4Å; L361-T378 WeakPolarHBondContact CD1-OG1 3.2Å; L361-G382 PolarHBondContact N-O 3.43Å; L361-V383 HydrophobicContact CB-CG2 4.32Å; L361-V383 HydrophobicContact CD2-CG1 3.91Å; L361-V383 HydrophobicContact CD2-CG2 4.08Å; L361-V383 VanDerWaalsContact O-CA 3.31Å; L361-V383 WeakPolarHBondContact O-CA 3.42Å; L361-T384 PolarHBondContact O-N 3.46Å; L361-T384 VanDerWaalsContact O-N 3.08Å |
| 362 | Y | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 137.7 | -177 | -55.3 | -59.8 | 0 | 0 | 0 | 111.1 | P213 C214 Y215 I242 P244 A360 T384 D387 V388 I389 | P213-Y362 PolarHBondContact O-N 3.35Å; C214-Y362 CarbonylContact C-O 3.54Å; C214-Y362 WeakPolarHBondContact CA-O 3.36Å; Y215-Y362 PolarHBondContact N-O 3.42Å; I242-Y362 VanDerWaalsContact O-CE2 3.28Å; I242-Y362 WeakPolarHBondContact O-CE2 3.36Å; I242-Y362 VanDerWaalsContact O-CZ 3.3Å; I242-Y362 PolarHBondContact O-OH 3.29Å; P244-Y362 HydrophobicContact CB-CD2 4.08Å; P244-Y362 HydrophobicContact CB-CE2 4.32Å; A360-Y362 HydrophobicContact CB-CE1 4.22Å; A360-Y362 HydrophobicContact CB-CE2 4.03Å; Y362-T384 WeakPolarHBondContact CA-O 3.42Å; Y362-D387 WeakPolarHBondContact CD1-O 3.49Å; Y362-V388 HydrophobicContact CD1-CB 4.23Å; Y362-V388 HydrophobicContact CD1-CG1 3.99Å; Y362-V388 HydrophobicContact CD2-CB 4.47Å; Y362-V388 HydrophobicContact CD2-CG1 3.9Å; Y362-V388 HydrophobicContact CE1-CB 4.07Å; Y362-V388 HydrophobicContact CE1-CG1 4.3Å; Y362-V388 HydrophobicContact CE2-CB 4.27Å; Y362-V388 HydrophobicContact CE2-CG1 4.19Å; Y362-V388 HydrophobicContact CG-CB 4.42Å; Y362-V388 HydrophobicContact CG-CG1 3.77Å; Y362-I389 PolarHBondContact OH-N 3.29Å; Y362-I389 VanDerWaalsContact OH-N 3.13Å |
| 363 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 119.8 | -179.4 | -169.7 | 0 | 0 | 0 | 0 | 109.5 | Y215 L361 L370 I371 V374 T384 G385 N386 | Y215-V363 HydrophobicContact CD1-CG1 4.07Å; Y215-V363 CarbonylContact O-C 3.59Å; Y215-V363 WeakPolarHBondContact O-CA 3.33Å; L361-V363 HydrophobicContact CD2-CG2 3.48Å; L361-V363 VanDerWaalsContact CD2-CG2 3.48Å; V363-L370 HydrophobicContact CG1-CD2 3.99Å; V363-I371 HydrophobicContact CG1-CG1 4.04Å; V363-V374 HydrophobicContact CG1-CG2 4.29Å; V363-V374 HydrophobicContact CG2-CB 3.99Å; V363-V374 HydrophobicContact CG2-CG1 3.6Å; V363-V374 HydrophobicContact CG2-CG2 4.47Å; V363-T384 PolarHBondContact N-O 2.93Å; V363-G385 CarbonylContact O-C 3.55Å; V363-G385 WeakPolarHBondContact O-CA 3.16Å; V363-N386 PolarHBondContact O-N 3.48Å |
| 364 | F | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 115.9 | 175.2 | -71.4 | -97.6 | 0 | 0 | 0 | 110 | C214 Y215 I216 D217 A225 R228 V229 N386 V388 | C214-F364 VanDerWaalsContact SG-CE2 3.59Å; Y215-F364 PolarHBondContact O-N 2.95Å; I216-F364 HydrophobicContact CG1-CB 4.35Å; I216-F364 HydrophobicContact CG1-CD2 4.35Å; D217-F364 WeakPolarHBondContact CB-O 3.43Å; D217-F364 PolarHBondContact N-O 2.85Å; A225-F364 HydrophobicContact CB-CB 4.19Å; A225-F364 HydrophobicContact CB-CD1 3.44Å; A225-F364 VanDerWaalsContact CB-CD1 3.44Å; A225-F364 HydrophobicContact CB-CE1 3.98Å; A225-F364 HydrophobicContact CB-CG 3.92Å; R228-F364 HydrophobicContact CB-CE1 4.17Å; R228-F364 HydrophobicContact CB-CZ 4.18Å; V229-F364 HydrophobicContact CG2-CD2 4.35Å; V229-F364 HydrophobicContact CG2-CE2 3.61Å; V229-F364 HydrophobicContact CG2-CZ 3.78Å; F364-N386 WeakPolarHBondContact CA-OD1 3.4Å; F364-N386 WeakPolarHBondContact CE1-O 3.31Å; F364-V388 HydrophobicContact CE2-CG1 4.04Å; F364-V388 HydrophobicContact CZ-CG1 4.04Å |
| 365 | S | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | trans | -165.7 | 148 | 178.3 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | D217 N367 I371 N386 | D217-S365 WeakPolarHBondContact OD2-CB 3.36Å; D217-S365 PolarHBondContact OD2-OG 2.88Å; S365-N367 VanDerWaalsContact C-N 3.3Å; S365-N367 WeakPolarHBondContact OG-CB 3.24Å; S365-N367 PolarHBondContact OG-N 3.25Å; S365-I371 WeakPolarHBondContact O-CD1 3.28Å; S365-N386 PolarHBondContact N-OD1 2.86Å; S365-N386 PolarHBondContact O-ND2 3.44Å; S365-N386 PolarHBondContact O-OD1 3.47Å; S365-N386 VanDerWaalsContact O-OD1 3.06Å | ||
| 366 | R | 98.6 | Very high | 98.8 | Very high | 158 Ų | 158 | 58.5 Ų | 58.5 | 60% | 0.596 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -79.2 | -17.4 | 166 | -68.4 | 177.3 | 175.7 | -153.1 | -0.4 | 111.8 | D219 D221 N368 | D219-R366 PolarHBondContact O-N 3.33Å; D221-R366 IonicContact OD2-NH2 2.67Å; R366-N368 PolarHBondContact O-N 2.87Å |
| 367 | N | 98.5 | Very high | 98.8 | Very high | 67 Ų | 67 | 55.6 Ų | 55.6 | 36% | 0.358 | 26% | 0.256 | S | S | . | . | trans | -85.4 | 97.7 | 179.7 | -175.7 | -6.9 | 0 | 0 | 0 | 111.6 | S365 K369 L370 I371 | S365-N367 VanDerWaalsContact C-N 3.3Å; S365-N367 WeakPolarHBondContact OG-CB 3.24Å; S365-N367 PolarHBondContact OG-N 3.25Å; N367-K369 PolarHBondContact O-N 3.36Å; N367-K369 VanDerWaalsContact O-N 3.13Å; N367-K369 WeakPolarHBondContact OD1-CB 3.12Å; N367-K369 PolarHBondContact OD1-N 3.42Å; N367-L370 HydrophobicContact CB-CB 4.01Å; N367-L370 WeakPolarHBondContact O-CB 3.15Å; N367-L370 PolarHBondContact O-N 2.84Å; N367-L370 PolarHBondContact OD1-N 2.92Å; N367-I371 PolarHBondContact O-N 2.83Å; N367-I371 VanDerWaalsContact O-N 3.15Å | ||
| 368 | N | 98.4 | Very high | 98.8 | Very high | 113 Ų | 113 | 52.3 Ų | 52.3 | 60% | 0.604 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -58.9 | -25.8 | 177 | -72.7 | -30.9 | 0 | 0 | 0 | 114.2 | R366 K372 | R366-N368 PolarHBondContact O-N 2.87Å; N368-K372 WeakPolarHBondContact O-CG 3.42Å; N368-K372 PolarHBondContact O-N 3.46Å; N368-K372 VanDerWaalsContact O-N 3.11Å |
| 369 | K | 98.6 | Very high | 98.8 | Very high | 174 Ų | 174 | 54.1 Ų | 54.1 | 76% | 0.757 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -70.8 | -38.1 | 175.5 | -62.3 | -179.7 | 179.7 | 176.6 | 0 | 110.7 | N367 R373 | N367-K369 PolarHBondContact O-N 3.36Å; N367-K369 VanDerWaalsContact O-N 3.13Å; N367-K369 WeakPolarHBondContact OD1-CB 3.12Å; N367-K369 PolarHBondContact OD1-N 3.42Å; K369-R373 VanDerWaalsContact O-CB 3.28Å; K369-R373 WeakPolarHBondContact O-CB 3.38Å; K369-R373 PolarHBondContact O-N 2.83Å |
| 370 | L | 98.8 | Very high | 98.8 | Very high | 18 Ų | 18 | 54.9 Ų | 54.9 | 9% | 0.094 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.3 | -47.4 | 175.2 | -173.3 | 153.3 | 0 | 0 | 0 | 110.7 | Y215 D217 V345 V363 N367 K372 R373 V374 | Y215-L370 HydrophobicContact CD1-CD2 4.15Å; Y215-L370 HydrophobicContact CE1-CD1 4.37Å; Y215-L370 HydrophobicContact CE1-CD2 3.81Å; D217-L370 HydrophobicContact CB-CD1 4.49Å; V345-L370 HydrophobicContact CB-CD1 4.15Å; V345-L370 HydrophobicContact CB-CG 4.38Å; V345-L370 HydrophobicContact CG1-CD1 4.38Å; V345-L370 HydrophobicContact CG2-CD1 4.3Å; V345-L370 HydrophobicContact CG2-CD2 4.05Å; V345-L370 HydrophobicContact CG2-CG 4Å; V363-L370 HydrophobicContact CG1-CD2 3.99Å; N367-L370 HydrophobicContact CB-CB 4.01Å; N367-L370 WeakPolarHBondContact O-CB 3.15Å; N367-L370 PolarHBondContact O-N 2.84Å; N367-L370 PolarHBondContact OD1-N 2.92Å; L370-K372 PolarHBondContact O-N 3.16Å; L370-R373 WeakPolarHBondContact O-CB 3.27Å; L370-R373 PolarHBondContact O-N 3.12Å; L370-R373 VanDerWaalsContact O-N 3.13Å; L370-V374 HydrophobicContact CD2-CG2 4.02Å; L370-V374 WeakPolarHBondContact O-CG2 3.4Å; L370-V374 PolarHBondContact O-N 3.48Å |
| 371 | I | 98.8 | Very high | 98.8 | Very high | 17 Ų | 17 | 56.3 Ų | 56.3 | 9% | 0.087 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.5 | -50.3 | 177.7 | -64.2 | 175.8 | 0 | 0 | 0 | 110.7 | V363 S365 N367 R373 V374 I375 | V363-I371 HydrophobicContact CG1-CG1 4.04Å; S365-I371 WeakPolarHBondContact O-CD1 3.28Å; N367-I371 PolarHBondContact O-N 2.83Å; N367-I371 VanDerWaalsContact O-N 3.15Å; I371-R373 VanDerWaalsContact C-N 3.29Å; I371-R373 PolarHBondContact O-N 2.83Å; I371-V374 PolarHBondContact O-N 2.88Å; I371-I375 HydrophobicContact CG2-CD1 3.89Å; I371-I375 WeakPolarHBondContact O-CG1 3.4Å; I371-I375 PolarHBondContact O-N 3.46Å; I371-I375 VanDerWaalsContact O-N 3.08Å |
| 372 | K | 98.8 | Very high | 98.8 | Very high | 140 Ų | 140 | 57 Ų | 57 | 61% | 0.609 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -59.2 | -41.6 | 177.5 | -75.7 | -174.8 | 176.6 | -167.8 | 0 | 112.1 | N368 L370 V374 I375 D376 | N368-K372 WeakPolarHBondContact O-CG 3.42Å; N368-K372 PolarHBondContact O-N 3.46Å; N368-K372 VanDerWaalsContact O-N 3.11Å; L370-K372 PolarHBondContact O-N 3.16Å; K372-V374 PolarHBondContact O-N 2.92Å; K372-I375 WeakPolarHBondContact O-CB 3.43Å; K372-I375 PolarHBondContact O-N 3.12Å; K372-D376 WeakPolarHBondContact O-CB 3.49Å; K372-D376 PolarHBondContact O-N 2.82Å |
| 373 | R | 98.8 | Very high | 98.8 | Very high | 89 Ų | 89 | 59.1 Ų | 59.1 | 34% | 0.336 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 178.3 | -170.5 | 179.4 | 176 | -142.8 | -20.1 | 112.4 | D346 I349 K369 L370 I371 I375 D376 E377 | D346-R373 IonicContact OD1-CZ 3.13Å; D346-R373 IonicContact OD1-NH1 3.6Å; D346-R373 PolarHBondContact OD1-NH1 2.85Å; D346-R373 IonicContact OD1-NH2 2.75Å; D346-R373 PolarHBondContact OD1-NH2 3.01Å; I349-R373 HydrophobicContact CD1-CG 4.42Å; K369-R373 VanDerWaalsContact O-CB 3.28Å; K369-R373 WeakPolarHBondContact O-CB 3.38Å; K369-R373 PolarHBondContact O-N 2.83Å; L370-R373 WeakPolarHBondContact O-CB 3.27Å; L370-R373 PolarHBondContact O-N 3.12Å; L370-R373 VanDerWaalsContact O-N 3.13Å; I371-R373 VanDerWaalsContact C-N 3.29Å; I371-R373 PolarHBondContact O-N 2.83Å; R373-I375 VanDerWaalsContact C-N 3.28Å; R373-I375 PolarHBondContact O-N 2.66Å; R373-D376 PolarHBondContact O-N 2.91Å; R373-E377 HydrophobicContact CG-CG 4.34Å; R373-E377 WeakPolarHBondContact CG-OE1 3.38Å; R373-E377 IonicContact CZ-OE1 3.39Å; R373-E377 IonicContact CZ-OE2 3.06Å; R373-E377 IonicContact NE-OE1 2.59Å; R373-E377 PolarHBondContact NE-OE1 3.23Å; R373-E377 IonicContact NE-OE2 3.94Å; R373-E377 PolarHBondContact NE-OE2 3.26Å; R373-E377 IonicContact NH2-OE1 2.66Å; R373-E377 IonicContact NH2-OE2 2.7Å; R373-E377 PolarHBondContact NH2-OE2 2.82Å; R373-E377 VanDerWaalsContact NH2-OE2 3.13Å; R373-E377 WeakPolarHBondContact O-CB 3.38Å; R373-E377 WeakPolarHBondContact O-CG 3.32Å; R373-E377 PolarHBondContact O-N 2.73Å |
| 374 | V | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 175.6 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | V345 I349 L361 V363 L370 I371 K372 T378 | V345-V374 HydrophobicContact CG2-CG2 3.52Å; I349-V374 HydrophobicContact CD1-CG2 4.28Å; I349-V374 HydrophobicContact CG1-CG2 4.27Å; L361-V374 HydrophobicContact CD1-CG1 4.33Å; L361-V374 HydrophobicContact CD2-CG1 3.95Å; V363-V374 HydrophobicContact CG1-CG2 4.29Å; V363-V374 HydrophobicContact CG2-CB 3.99Å; V363-V374 HydrophobicContact CG2-CG1 3.6Å; V363-V374 HydrophobicContact CG2-CG2 4.47Å; L370-V374 HydrophobicContact CD2-CG2 4.02Å; L370-V374 WeakPolarHBondContact O-CG2 3.4Å; L370-V374 PolarHBondContact O-N 3.48Å; I371-V374 PolarHBondContact O-N 2.88Å; K372-V374 PolarHBondContact O-N 2.92Å; V374-T378 HydrophobicContact CG1-CG2 4.36Å; V374-T378 WeakPolarHBondContact O-CB 3.07Å; V374-T378 WeakPolarHBondContact O-CG2 3.38Å; V374-T378 PolarHBondContact O-N 3.36Å; V374-T378 PolarHBondContact O-OG1 2.96Å |
| 375 | I | 98.8 | Very high | 98.8 | Very high | 72 Ų | 72 | 61.4 Ų | 61.4 | 37% | 0.369 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 176.3 | -67.1 | 166.9 | 0 | 0 | 0 | 111.5 | I371 K372 R373 E377 V383 | I371-I375 HydrophobicContact CG2-CD1 3.89Å; I371-I375 WeakPolarHBondContact O-CG1 3.4Å; I371-I375 PolarHBondContact O-N 3.46Å; I371-I375 VanDerWaalsContact O-N 3.08Å; K372-I375 WeakPolarHBondContact O-CB 3.43Å; K372-I375 PolarHBondContact O-N 3.12Å; R373-I375 VanDerWaalsContact C-N 3.28Å; R373-I375 PolarHBondContact O-N 2.66Å; I375-E377 VanDerWaalsContact C-N 3.33Å; I375-E377 PolarHBondContact O-N 3.02Å; I375-V383 HydrophobicContact CD1-CG1 4.11Å; I375-V383 HydrophobicContact CG1-CB 4.5Å; I375-V383 HydrophobicContact CG1-CG1 3.89Å; I375-V383 HydrophobicContact CG1-CG2 4.38Å |
| 376 | D | 98.9 | Very high | 98.8 | Very high | 131 Ų | 131 | 63.8 Ų | 63.8 | 70% | 0.701 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -71.5 | -28 | -174.7 | -67 | -22.8 | 0 | 0 | 0 | 112.5 | K372 R373 | K372-D376 WeakPolarHBondContact O-CB 3.49Å; K372-D376 PolarHBondContact O-N 2.82Å; R373-D376 PolarHBondContact O-N 2.91Å |
| 377 | E | 98.9 | Very high | 98.8 | Very high | 83 Ų | 83 | 57.8 Ų | 57.8 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -102.3 | 3 | -175.4 | -64.9 | 178.8 | -153.4 | 0 | 0 | 113.8 | I349 N353 R373 I375 | I349-E377 HydrophobicContact CD1-CB 4.14Å; I349-E377 HydrophobicContact CG2-CB 3.85Å; N353-E377 PolarHBondContact ND2-O 2.93Å; R373-E377 HydrophobicContact CG-CG 4.34Å; R373-E377 WeakPolarHBondContact CG-OE1 3.38Å; R373-E377 IonicContact CZ-OE1 3.39Å; R373-E377 IonicContact CZ-OE2 3.06Å; R373-E377 IonicContact NE-OE1 2.59Å; R373-E377 PolarHBondContact NE-OE1 3.23Å; R373-E377 IonicContact NE-OE2 3.94Å; R373-E377 PolarHBondContact NE-OE2 3.26Å; R373-E377 IonicContact NH2-OE1 2.66Å; R373-E377 IonicContact NH2-OE2 2.7Å; R373-E377 PolarHBondContact NH2-OE2 2.82Å; R373-E377 VanDerWaalsContact NH2-OE2 3.13Å; R373-E377 WeakPolarHBondContact O-CB 3.38Å; R373-E377 WeakPolarHBondContact O-CG 3.32Å; R373-E377 PolarHBondContact O-N 2.73Å; I375-E377 VanDerWaalsContact C-N 3.33Å; I375-E377 PolarHBondContact O-N 3.02Å |
| 378 | T | 98.9 | Very high | 98.8 | Very high | 20 Ų | 20 | 54.6 Ų | 54.6 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | trans | -130.3 | 177.4 | 176.8 | 67.3 | 0 | 0 | 0 | 0 | 112.3 | I349 I352 L361 V374 | I349-T378 HydrophobicContact CB-CG2 4.45Å; I349-T378 HydrophobicContact CG1-CG2 4.27Å; I349-T378 HydrophobicContact CG2-CG2 4.09Å; I352-T378 HydrophobicContact CB-CG2 4.36Å; I352-T378 HydrophobicContact CG2-CG2 4.04Å; L361-T378 HydrophobicContact CD1-CG2 4.4Å; L361-T378 WeakPolarHBondContact CD1-OG1 3.2Å; V374-T378 HydrophobicContact CG1-CG2 4.36Å; V374-T378 WeakPolarHBondContact O-CB 3.07Å; V374-T378 WeakPolarHBondContact O-CG2 3.38Å; V374-T378 PolarHBondContact O-N 3.36Å; V374-T378 PolarHBondContact O-OG1 2.96Å | ||
| 379 | S | 98.9 | Very high | 98.8 | Very high | 41 Ų | 41 | 49.9 Ų | 49.9 | 29% | 0.287 | 27% | 0.268 | S | S | . | . | trans | -143.4 | 123.9 | 177.5 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | K357 | K357-S379 WeakPolarHBondContact CD-OG 3.48Å; K357-S379 WeakPolarHBondContact CE-OG 3.26Å; K357-S379 PolarHBondContact NZ-OG 3.31Å | ||
| 380 | S | 98.9 | Very high | 98.8 | Very high | 21 Ų | 21 | 44.6 Ų | 44.6 | 15% | 0.147 | 25% | 0.247 | C | C | . | . | trans | -142.1 | 171.2 | 176.4 | 61.8 | 0 | 0 | 0 | 0 | 110.6 | P358 G382 V383 V402 | P358-S380 VanDerWaalsContact O-CA 3.28Å; P358-S380 WeakPolarHBondContact O-CA 3.38Å; P358-S380 WeakPolarHBondContact O-CB 3.4Å; S380-G382 PolarHBondContact OG-O 2.96Å; S380-V383 WeakPolarHBondContact OG-CG2 3.32Å; S380-V402 VanDerWaalsContact C-CG1 3.45Å; S380-V402 WeakPolarHBondContact O-CG1 3.22Å | ||
| 381 | G | 98.8 | Very high | 98.8 | Very high | 29 Ų | 29 | 44.8 Ų | 44.8 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -64.5 | -51.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P358 L359 G400 | P358-G381 PolarHBondContact O-N 3Å; L359-G381 CarbonylContact O-C 3.58Å; L359-G381 WeakPolarHBondContact O-CA 3.5Å; L359-G381 PolarHBondContact O-N 3.37Å; G381-G400 CarbonylContact C-O 3.54Å; G381-G400 WeakPolarHBondContact CA-O 3.48Å |
| 382 | G | 98.8 | Very high | 98.8 | Very high | 15 Ų | 15 | 45.4 Ų | 45.4 | 16% | 0.155 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 164.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | L359 A360 L361 S380 | L359-G382 PolarHBondContact O-N 3.21Å; A360-G382 CarbonylContact C-O 3.59Å; A360-G382 WeakPolarHBondContact CA-O 3.21Å; L361-G382 PolarHBondContact N-O 3.43Å; S380-G382 PolarHBondContact OG-O 2.96Å |
| 383 | V | 98.9 | Very high | 98.7 | Very high | 46 Ų | 46 | 42.7 Ų | 42.7 | 28% | 0.279 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 140.9 | 174.5 | 179.8 | 0 | 0 | 0 | 0 | 110 | L361 I375 S380 | L361-V383 HydrophobicContact CB-CG2 4.32Å; L361-V383 HydrophobicContact CD2-CG1 3.91Å; L361-V383 HydrophobicContact CD2-CG2 4.08Å; L361-V383 VanDerWaalsContact O-CA 3.31Å; L361-V383 WeakPolarHBondContact O-CA 3.42Å; I375-V383 HydrophobicContact CD1-CG1 4.11Å; I375-V383 HydrophobicContact CG1-CB 4.5Å; I375-V383 HydrophobicContact CG1-CG1 3.89Å; I375-V383 HydrophobicContact CG1-CG2 4.38Å; S380-V383 WeakPolarHBondContact OG-CG2 3.32Å |
| 384 | T | 98.9 | Very high | 98.6 | Very high | 15 Ų | 15 | 41.2 Ų | 41.2 | 9% | 0.092 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 120.5 | 164 | -53.2 | 0 | 0 | 0 | 0 | 109.6 | L361 Y362 V363 D387 M390 H391 | L361-T384 PolarHBondContact O-N 3.46Å; L361-T384 VanDerWaalsContact O-N 3.08Å; Y362-T384 WeakPolarHBondContact CA-O 3.42Å; V363-T384 PolarHBondContact N-O 2.93Å; T384-D387 WeakPolarHBondContact CB-O 3.45Å; T384-D387 HydrophobicContact CG2-CB 3.73Å; T384-D387 VanDerWaalsContact CG2-O 3.29Å; T384-D387 WeakPolarHBondContact CG2-O 3.46Å; T384-M390 HydrophobicContact CG2-CB 4.47Å; T384-H391 WeakPolarHBondContact OG1-CB 3.46Å; T384-H391 PolarHBondContact OG1-ND1 3.25Å |
| 385 | G | 98.8 | Very high | 98.2 | Very high | 38 Ų | 38 | 43.5 Ų | 43.5 | 39% | 0.392 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 131.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V363 D387 | V363-G385 CarbonylContact O-C 3.55Å; V363-G385 WeakPolarHBondContact O-CA 3.16Å; G385-D387 PolarHBondContact O-N 3.04Å; G385-D387 VanDerWaalsContact O-N 3.16Å |
| 386 | N | 98.8 | Very high | 97.9 | Very high | 51 Ų | 51 | 44.1 Ų | 44.1 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 61.1 | 11.9 | 179.5 | -65.9 | -44.3 | 0 | 0 | 0 | 115.8 | R228 V363 F364 S365 | R228-N386 VanDerWaalsContact CD-O 3.3Å; R228-N386 WeakPolarHBondContact CD-O 3.28Å; R228-N386 PolarHBondContact NH1-O 3.19Å; V363-N386 PolarHBondContact O-N 3.48Å; F364-N386 WeakPolarHBondContact CA-OD1 3.4Å; F364-N386 WeakPolarHBondContact CE1-O 3.31Å; S365-N386 PolarHBondContact N-OD1 2.86Å; S365-N386 PolarHBondContact O-ND2 3.44Å; S365-N386 PolarHBondContact O-OD1 3.47Å; S365-N386 VanDerWaalsContact O-OD1 3.06Å |
| 387 | D | 98.9 | Very high | 97.9 | Very high | 32 Ų | 32 | 41.5 Ų | 41.5 | 17% | 0.171 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -152 | 176 | 172 | -144.7 | -28.3 | 0 | 0 | 0 | 109.8 | R228 Y362 T384 G385 M390 | R228-D387 WeakPolarHBondContact CD-OD1 3.33Å; R228-D387 IonicContact CZ-OD2 3.46Å; R228-D387 IonicContact NE-OD2 2.79Å; R228-D387 PolarHBondContact NE-OD2 3.5Å; R228-D387 IonicContact NH1-OD2 3.65Å; Y362-D387 WeakPolarHBondContact CD1-O 3.49Å; T384-D387 WeakPolarHBondContact CB-O 3.45Å; T384-D387 HydrophobicContact CG2-CB 3.73Å; T384-D387 VanDerWaalsContact CG2-O 3.29Å; T384-D387 WeakPolarHBondContact CG2-O 3.46Å; G385-D387 PolarHBondContact O-N 3.04Å; G385-D387 VanDerWaalsContact O-N 3.16Å; D387-M390 HydrophobicContact CB-CG 4.4Å |
| 388 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -124.8 | 157.1 | 175.5 | -62.9 | 0 | 0 | 0 | 0 | 110.1 | R228 V229 W231 P244 Y362 F364 M390 | R228-V388 WeakPolarHBondContact O-CG2 3.4Å; V229-V388 HydrophobicContact CG2-CG1 4.36Å; W231-V388 HydrophobicContact CE3-CG2 3.96Å; W231-V388 HydrophobicContact CZ3-CG2 4.09Å; P244-V388 HydrophobicContact CB-CG1 4.42Å; P244-V388 HydrophobicContact CG-CG1 4.28Å; Y362-V388 HydrophobicContact CD1-CB 4.23Å; Y362-V388 HydrophobicContact CD1-CG1 3.99Å; Y362-V388 HydrophobicContact CD2-CB 4.47Å; Y362-V388 HydrophobicContact CD2-CG1 3.9Å; Y362-V388 HydrophobicContact CE1-CB 4.07Å; Y362-V388 HydrophobicContact CE1-CG1 4.3Å; Y362-V388 HydrophobicContact CE2-CB 4.27Å; Y362-V388 HydrophobicContact CE2-CG1 4.19Å; Y362-V388 HydrophobicContact CG-CB 4.42Å; Y362-V388 HydrophobicContact CG-CG1 3.77Å; F364-V388 HydrophobicContact CE2-CG1 4.04Å; F364-V388 HydrophobicContact CZ-CG1 4.04Å; V388-M390 PolarHBondContact O-N 3.31Å |
| 389 | I | 98.7 | Very high | 97.8 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 7% | 0.067 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 66.7 | -36.6 | 174.3 | -47.3 | -64.2 | 0 | 0 | 0 | 115.5 | W231 T240 I242 Y362 H391 F392 | W231-I389 HydrophobicContact CH2-CB 3.94Å; W231-I389 HydrophobicContact CH2-CG1 4.2Å; W231-I389 HydrophobicContact CH2-CG2 4.17Å; W231-I389 HydrophobicContact CZ3-CB 3.82Å; W231-I389 HydrophobicContact CZ3-CG1 3.84Å; T240-I389 HydrophobicContact CG2-CD1 4.45Å; I242-I389 HydrophobicContact CB-CD1 4.23Å; I242-I389 HydrophobicContact CD1-CB 4.46Å; I242-I389 HydrophobicContact CD1-CD1 3.98Å; I242-I389 HydrophobicContact CD1-CG2 3.86Å; I242-I389 HydrophobicContact CG1-CD1 3.66Å; I242-I389 WeakPolarHBondContact O-CD1 3.26Å; Y362-I389 PolarHBondContact OH-N 3.29Å; Y362-I389 VanDerWaalsContact OH-N 3.13Å; I389-H391 VanDerWaalsContact C-N 3.27Å; I389-H391 PolarHBondContact O-N 3.46Å; I389-F392 WeakPolarHBondContact O-CB 3.35Å; I389-F392 PolarHBondContact O-N 2.91Å |
| 390 | M | 98.6 | Very high | 97.8 | Very high | 64 Ų | 64 | 39 Ų | 39 | 32% | 0.315 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -57.1 | -27.2 | -164.6 | -68.7 | -60 | 94.8 | 0 | 0 | 116 | W231 T384 D387 V388 F392 T393 | W231-M390 HydrophobicContact CH2-CE 3.13Å; W231-M390 HydrophobicContact CZ2-CE 4.09Å; W231-M390 HydrophobicContact CZ3-CE 3.6Å; T384-M390 HydrophobicContact CG2-CB 4.47Å; D387-M390 HydrophobicContact CB-CG 4.4Å; V388-M390 PolarHBondContact O-N 3.31Å; M390-F392 PolarHBondContact O-N 2.81Å; M390-F392 VanDerWaalsContact O-N 3.15Å; M390-T393 HydrophobicContact CE-CG2 4.45Å; M390-T393 PolarHBondContact O-N 2.97Å; M390-T393 PolarHBondContact O-OG1 2.96Å |
| 391 | H | 98.6 | Very high | 97.8 | Very high | 22 Ų | 22 | 38.6 Ų | 38.6 | 10% | 0.102 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -59.8 | -25.3 | 174.5 | 68.2 | -81.6 | 0 | 0 | 0 | 112.9 | T384 I389 T393 L397 | T384-H391 WeakPolarHBondContact OG1-CB 3.46Å; T384-H391 PolarHBondContact OG1-ND1 3.25Å; I389-H391 VanDerWaalsContact C-N 3.27Å; I389-H391 PolarHBondContact O-N 3.46Å; H391-T393 VanDerWaalsContact C-N 3.26Å; H391-T393 PolarHBondContact O-N 3.32Å; H391-L397 HydrophobicContact CB-CD1 4.16Å |
| 392 | F | 98.4 | Very high | 97.8 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 13% | 0.127 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -63.1 | -27.8 | 175.3 | 177.8 | -91.9 | 0 | 0 | 0 | 113.2 | T63 V116 I242 I389 M390 V394 F399 H411 | T63-F392 HydrophobicContact CG2-CE1 3.99Å; T63-F392 HydrophobicContact CG2-CZ 4.42Å; V116-F392 HydrophobicContact CG1-CZ 4.15Å; I242-F392 HydrophobicContact CD1-CB 3.8Å; I242-F392 HydrophobicContact CD1-CD2 4.18Å; I242-F392 HydrophobicContact CD1-CG 4.14Å; I389-F392 WeakPolarHBondContact O-CB 3.35Å; I389-F392 PolarHBondContact O-N 2.91Å; M390-F392 PolarHBondContact O-N 2.81Å; M390-F392 VanDerWaalsContact O-N 3.15Å; F392-V394 VanDerWaalsContact C-N 3.34Å; F392-V394 PolarHBondContact O-N 2.91Å; F392-F399 HydrophobicContact CD2-CD1 4.44Å; F392-F399 AromaticContact CD2-CD2 3.73Å; F392-F399 HydrophobicContact CD2-CD2 3.73Å; F392-F399 HydrophobicContact CD2-CE1 4.34Å; F392-F399 AromaticContact CD2-CE2 3.62Å; F392-F399 HydrophobicContact CD2-CE2 3.62Å; F392-F399 HydrophobicContact CD2-CG 4.13Å; F392-F399 AromaticContact CD2-CZ 3.92Å; F392-F399 HydrophobicContact CD2-CZ 3.92Å; F392-F399 HydrophobicContact CE2-CD1 4.45Å; F392-F399 HydrophobicContact CE2-CD2 4.5Å; F392-F399 HydrophobicContact CE2-CE1 4.29Å; F392-F399 HydrophobicContact CE2-CE2 4.36Å; F392-F399 HydrophobicContact CE2-CZ 4.23Å; F392-H411 AromaticContact CD2-CE1 3.52Å; F392-H411 AromaticContact CE2-CE1 3.3Å; F392-H411 WeakPolarHBondContact CE2-CE1 3.28Å; F392-H411 AromaticContact CE2-NE2 3.58Å; F392-H411 AromaticContact CZ-CE1 3.68Å; F392-H411 PolarHBondContact O-CE1 3.29Å; F392-H411 PolarHBondContact O-ND1 3.36Å |
| 393 | T | 95.8 | Very high | 97.8 | Very high | 83 Ų | 83 | 41.2 Ų | 41.2 | 51% | 0.509 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -88.4 | -2.2 | -171 | 68.3 | 0 | 0 | 0 | 0 | 113.6 | M390 H391 | M390-T393 HydrophobicContact CE-CG2 4.45Å; M390-T393 PolarHBondContact O-N 2.97Å; M390-T393 PolarHBondContact O-OG1 2.96Å; H391-T393 VanDerWaalsContact C-N 3.26Å; H391-T393 PolarHBondContact O-N 3.32Å |
| 394 | V | 97 | Very high | 97.8 | Very high | 59 Ų | 59 | 40.2 Ų | 40.2 | 36% | 0.358 | 26% | 0.257 | S | S | . | . | trans | -100.1 | 101.3 | -173 | -175.5 | 0 | 0 | 0 | 0 | 110 | F392 S396 L397 | F392-V394 VanDerWaalsContact C-N 3.34Å; F392-V394 PolarHBondContact O-N 2.91Å; V394-S396 VanDerWaalsContact CG1-OG 3.32Å; V394-S396 WeakPolarHBondContact CG1-OG 3.33Å; V394-S396 PolarHBondContact O-N 3.31Å; V394-L397 HydrophobicContact CB-CB 4.41Å; V394-L397 HydrophobicContact CB-CD1 3.88Å; V394-L397 HydrophobicContact CB-CG 3.95Å; V394-L397 HydrophobicContact CG1-CD1 4.19Å; V394-L397 HydrophobicContact CG1-CG 3.88Å; V394-L397 HydrophobicContact CG2-CD1 4.3Å; V394-L397 PolarHBondContact O-N 3.01Å | ||
| 395 | N | 90.9 | Very high | 97.8 | Very high | 50 Ų | 50 | 39.5 Ų | 39.5 | 27% | 0.267 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -17.4 | -177.6 | -63.7 | -14.7 | 0 | 0 | 0 | 115.4 | F70 | F70-N395 HydrophobicContact CD2-CB 3.9Å; F70-N395 HydrophobicContact CE2-CB 4.07Å; F70-N395 HydrophobicContact CG-CB 4.28Å |
| 396 | S | 92.6 | Very high | 97.8 | Very high | 84 Ų | 84 | 37.8 Ų | 37.8 | 59% | 0.587 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89 | -5.6 | 176.7 | 60.8 | 0 | 0 | 0 | 0 | 114.1 | V394 Y414 | V394-S396 VanDerWaalsContact CG1-OG 3.32Å; V394-S396 WeakPolarHBondContact CG1-OG 3.33Å; V394-S396 PolarHBondContact O-N 3.31Å; S396-Y414 VanDerWaalsContact O-CE2 3.31Å; S396-Y414 WeakPolarHBondContact O-CE2 3.26Å; S396-Y414 PolarHBondContact O-OH 3.44Å; S396-Y414 VanDerWaalsContact O-OH 3.1Å |
| 397 | L | 98.1 | Very high | 97.8 | Very high | 77 Ų | 77 | 39.1 Ų | 39.1 | 40% | 0.403 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -97.1 | 136.4 | 171.9 | -62.9 | -178.8 | 0 | 0 | 0 | 110.2 | H391 V394 Y414 | H391-L397 HydrophobicContact CB-CD1 4.16Å; V394-L397 HydrophobicContact CB-CB 4.41Å; V394-L397 HydrophobicContact CB-CD1 3.88Å; V394-L397 HydrophobicContact CB-CG 3.95Å; V394-L397 HydrophobicContact CG1-CD1 4.19Å; V394-L397 HydrophobicContact CG1-CG 3.88Å; V394-L397 HydrophobicContact CG2-CD1 4.3Å; V394-L397 PolarHBondContact O-N 3.01Å; L397-Y414 VanDerWaalsContact C-CE2 3.48Å |
| 398 | P | 98.3 | Very high | 97.8 | Very high | 62 Ų | 62 | 39.6 Ų | 39.6 | 40% | 0.403 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 130.7 | 168.2 | 28.8 | -29.2 | 0 | 0 | 0 | 109 | A409 Y414 | P398-A409 HydrophobicContact CB-CB 3.75Å; P398-Y414 HydrophobicContact CB-CD1 3.8Å; P398-Y414 HydrophobicContact CB-CD2 3.83Å; P398-Y414 HydrophobicContact CB-CE1 3.98Å; P398-Y414 HydrophobicContact CB-CE2 4.02Å; P398-Y414 HydrophobicContact CB-CG 3.71Å; P398-Y414 HydrophobicContact CG-CD1 4.48Å; P398-Y414 HydrophobicContact CG-CE1 4.16Å; P398-Y414 HydrophobicContact CG-CE2 4.31Å; P398-Y414 VanDerWaalsContact N-CE2 3.29Å |
| 399 | F | 98.8 | Very high | 97.8 | Very high | 19 Ų | 19 | 40.9 Ų | 40.9 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -100.5 | 119.5 | 170.3 | 179.7 | -96.8 | 0 | 0 | 0 | 109.1 | I242 L359 F392 A409 Y410 H411 | I242-F399 HydrophobicContact CD1-CE2 4.44Å; I242-F399 HydrophobicContact CG2-CE2 3.9Å; I242-F399 HydrophobicContact CG2-CZ 4.16Å; L359-F399 HydrophobicContact CD2-CZ 3.95Å; F392-F399 HydrophobicContact CD2-CD1 4.44Å; F392-F399 AromaticContact CD2-CD2 3.73Å; F392-F399 HydrophobicContact CD2-CD2 3.73Å; F392-F399 HydrophobicContact CD2-CE1 4.34Å; F392-F399 AromaticContact CD2-CE2 3.62Å; F392-F399 HydrophobicContact CD2-CE2 3.62Å; F392-F399 HydrophobicContact CD2-CG 4.13Å; F392-F399 AromaticContact CD2-CZ 3.92Å; F392-F399 HydrophobicContact CD2-CZ 3.92Å; F392-F399 HydrophobicContact CE2-CD1 4.45Å; F392-F399 HydrophobicContact CE2-CD2 4.5Å; F392-F399 HydrophobicContact CE2-CE1 4.29Å; F392-F399 HydrophobicContact CE2-CE2 4.36Å; F392-F399 HydrophobicContact CE2-CZ 4.23Å; F399-A409 CarbonylContact O-C 3.6Å; F399-A409 WeakPolarHBondContact O-CA 3.28Å; F399-A409 WeakPolarHBondContact O-CB 3.49Å; F399-Y410 HydrophobicContact CD1-CD1 4.21Å; F399-Y410 AromaticContact CD1-CE1 3.57Å; F399-Y410 HydrophobicContact CD1-CE1 3.57Å; F399-Y410 HydrophobicContact CE1-CE1 4.12Å; F399-Y410 PolarHBondContact N-O 2.98Å; F399-Y410 PolarHBondContact O-N 3.4Å; F399-H411 AromaticContact CD1-NE2 3.69Å; F399-H411 AromaticContact CG-CE1 3.88Å; F399-H411 AromaticContact CG-NE2 3.77Å |
| 400 | G | 98.6 | Very high | 97.8 | Very high | 10 Ų | 10 | 40.3 Ų | 40.3 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | trans | -175 | 156.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E207 G381 G408 | E207-G400 WeakPolarHBondContact OE1-CA 3.29Å; E207-G400 WeakPolarHBondContact OE2-CA 3.28Å; G381-G400 CarbonylContact C-O 3.54Å; G381-G400 WeakPolarHBondContact CA-O 3.48Å; G400-G408 WeakPolarHBondContact CA-O 3.24Å | ||
| 401 | G | 98.6 | Very high | 97.8 | Very high | 12 Ų | 12 | 37.3 Ų | 37.3 | 12% | 0.124 | 25% | 0.247 | C | C | . | . | trans | -88.1 | 175.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | G406 | G401-G406 CarbonylContact C-O 3.06Š| ||
| 402 | V | 98.9 | Very high | 97.8 | Very high | 48 Ų | 48 | 36.3 Ų | 36.3 | 29% | 0.291 | 24% | 0.242 | S | C | . | . | trans | -142.2 | 134.2 | 173.1 | 61 | 0 | 0 | 0 | 0 | 110.3 | K357 S380 A404 S405 G406 | K357-V402 HydrophobicContact CB-CG1 4.1Å; K357-V402 WeakPolarHBondContact CB-O 3.47Å; K357-V402 HydrophobicContact CD-CG1 3.98Å; K357-V402 HydrophobicContact CD-CG2 4.2Å; S380-V402 VanDerWaalsContact C-CG1 3.45Å; S380-V402 WeakPolarHBondContact O-CG1 3.22Å; V402-A404 PolarHBondContact O-N 2.89Å; V402-S405 PolarHBondContact N-OG 3.45Å; V402-S405 PolarHBondContact O-OG 3.23Å; V402-G406 CarbonylContact C-O 3.36Å; V402-G406 VanDerWaalsContact CA-O 3.31Å; V402-G406 WeakPolarHBondContact CA-O 3.33Å; V402-G406 PolarHBondContact N-O 3.19Å | ||
| 403 | G | 98.7 | Very high | 97.8 | Very high | 51 Ų | 51 | 38 Ų | 38 | 53% | 0.526 | 25% | 0.249 | S | C | . | . | B | Isolated β-bridge | trans | 68.2 | -129.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S405 G406 | G403-S405 PolarHBondContact O-N 3.46Å; G403-G406 PolarHBondContact N-O 3.44Å; G403-G406 PolarHBondContact O-N 3.5Å; G403-G406 VanDerWaalsContact O-N 3.15Å |
| 404 | A | 98.6 | Very high | 97.9 | Very high | 25 Ų | 25 | 38 Ų | 38 | 21% | 0.207 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -19.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | T187 L208 E356 V402 G406 | T187-A404 HydrophobicContact CG2-CB 4.46Å; T187-A404 PolarHBondContact OG1-O 3.34Å; T187-A404 VanDerWaalsContact OG1-O 3.09Å; L208-A404 WeakPolarHBondContact CD1-O 3.22Å; E356-A404 HydrophobicContact CB-CB 3.97Å; E356-A404 HydrophobicContact CG-CB 4Å; E356-A404 VanDerWaalsContact OE2-CB 3.3Å; E356-A404 WeakPolarHBondContact OE2-CB 3.34Å; V402-A404 PolarHBondContact O-N 2.89Å; A404-G406 VanDerWaalsContact C-N 3.34Å |
| 405 | S | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -9.7 | 174.2 | 57.9 | 0 | 0 | 0 | 0 | 114 | L208 G209 K357 P358 V402 G403 | L208-S405 CarbonylContact C-O 3.55Å; L208-S405 WeakPolarHBondContact CA-O 3.45Å; L208-S405 VanDerWaalsContact CB-O 3.3Å; L208-S405 WeakPolarHBondContact CB-O 3.5Å; L208-S405 PolarHBondContact N-O 3.3Å; G209-S405 VanDerWaalsContact O-CA 3.26Å; G209-S405 WeakPolarHBondContact O-CA 3.13Å; G209-S405 VanDerWaalsContact O-CB 3.29Å; G209-S405 WeakPolarHBondContact O-CB 3.29Å; K357-S405 VanDerWaalsContact O-CB 3.25Å; K357-S405 WeakPolarHBondContact O-CB 3.42Å; K357-S405 PolarHBondContact O-OG 3.47Å; P358-S405 PolarHBondContact O-OG 3.14Å; V402-S405 PolarHBondContact N-OG 3.45Å; V402-S405 PolarHBondContact O-OG 3.23Å; G403-S405 PolarHBondContact O-N 3.46Å |
| 406 | G | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 147.3 | -177.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116 | L206 G401 V402 G403 A404 | L206-G406 CarbonylContact O-C 3.5Å; L206-G406 WeakPolarHBondContact O-CA 3.49Å; G401-G406 CarbonylContact C-O 3.06Å; V402-G406 CarbonylContact C-O 3.36Å; V402-G406 VanDerWaalsContact CA-O 3.31Å; V402-G406 WeakPolarHBondContact CA-O 3.33Å; V402-G406 PolarHBondContact N-O 3.19Å; G403-G406 PolarHBondContact N-O 3.44Å; G403-G406 PolarHBondContact O-N 3.5Å; G403-G406 VanDerWaalsContact O-N 3.15Å; A404-G406 VanDerWaalsContact C-N 3.34Å |
| 407 | M | 98.9 | Very high | 98.7 | Very high | 78 Ų | 78 | 30.9 Ų | 30.9 | 38% | 0.384 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 149.4 | 169.8 | 67 | 175.6 | 69.4 | 0 | 0 | 110.9 | M194 V204 T205 L206 | M194-M407 HydrophobicContact CE-CE 3.73Å; M194-M407 HydrophobicContact CE-SD 3.94Å; M194-M407 HydrophobicContact SD-CE 3.76Å; M194-M407 HydrophobicContact SD-SD 4.33Å; V204-M407 HydrophobicContact CG2-CG 4.45Å; V204-M407 HydrophobicContact CG2-SD 3.92Å; T205-M407 WeakPolarHBondContact CA-O 3.23Å; L206-M407 HydrophobicContact CB-CG 4.24Å; L206-M407 HydrophobicContact CD1-CE 4.43Å; L206-M407 HydrophobicContact CD1-CG 4.22Å; L206-M407 HydrophobicContact CD1-SD 4.48Å; L206-M407 HydrophobicContact CG-CG 4.18Å; L206-M407 PolarHBondContact N-O 3.1Å; L206-M407 PolarHBondContact O-N 3.29Å |
| 408 | G | 98.7 | Very high | 98.7 | Very high | 42 Ų | 42 | 28.3 Ų | 28.3 | 43% | 0.433 | 18% | 0.184 | S | C | . | . | trans | 79.7 | 175.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | G400 | G400-G408 WeakPolarHBondContact CA-O 3.24Š| ||
| 409 | A | 98.8 | Very high | 98.7 | Very high | 28 Ų | 28 | 25.4 Ų | 25.4 | 23% | 0.231 | 17% | 0.165 | C | C | . | . | trans | -154.3 | 158 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | P398 F399 | P398-A409 HydrophobicContact CB-CB 3.75Å; F399-A409 CarbonylContact O-C 3.6Å; F399-A409 WeakPolarHBondContact O-CA 3.28Å; F399-A409 WeakPolarHBondContact O-CB 3.49Å | ||
| 410 | Y | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -139.1 | -162.8 | 173.8 | 79.8 | -66 | 0 | 0 | 0 | 110.5 | Q120 P121 L182 E207 F399 | Q120-Y410 HydrophobicContact CB-CE2 4.23Å; Q120-Y410 HydrophobicContact CG-CE2 4.12Å; Q120-Y410 PolarHBondContact OE1-OH 2.98Å; P121-Y410 HydrophobicContact CG-CD2 4.33Å; P121-Y410 HydrophobicContact CG-CE2 3.89Å; L182-Y410 HydrophobicContact CD1-CD1 4.45Å; L182-Y410 HydrophobicContact CD1-CG 4.31Å; E207-Y410 HydrophobicContact CG-CD1 4.14Å; E207-Y410 HydrophobicContact CG-CE1 3.84Å; F399-Y410 HydrophobicContact CD1-CD1 4.21Å; F399-Y410 AromaticContact CD1-CE1 3.57Å; F399-Y410 HydrophobicContact CD1-CE1 3.57Å; F399-Y410 HydrophobicContact CE1-CE1 4.12Å; F399-Y410 PolarHBondContact N-O 2.98Å; F399-Y410 PolarHBondContact O-N 3.4Å |
| 411 | H | 98.4 | Very high | 98.8 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.009 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 87.5 | 137.4 | -167 | -64.9 | -155.3 | 0 | 0 | 0 | 114 | Q120 F392 F399 K413 Y414 S415 | Q120-H411 PolarHBondContact NE2-CD2 3.07Å; Q120-H411 PolarHBondContact NE2-CE1 2.96Å; Q120-H411 PolarHBondContact NE2-NE2 3.1Å; Q120-H411 PolarHBondContact OE1-NE2 2.88Å; F392-H411 AromaticContact CD2-CE1 3.52Å; F392-H411 AromaticContact CE2-CE1 3.3Å; F392-H411 WeakPolarHBondContact CE2-CE1 3.28Å; F392-H411 AromaticContact CE2-NE2 3.58Å; F392-H411 AromaticContact CZ-CE1 3.68Å; F392-H411 PolarHBondContact O-CE1 3.29Å; F392-H411 PolarHBondContact O-ND1 3.36Å; F399-H411 AromaticContact CD1-NE2 3.69Å; F399-H411 AromaticContact CG-CE1 3.88Å; F399-H411 AromaticContact CG-NE2 3.77Å; H411-K413 PolarHBondContact O-N 3.03Å; H411-Y414 WeakPolarHBondContact O-CA 3.5Å; H411-Y414 WeakPolarHBondContact O-CB 3.28Å; H411-Y414 PolarHBondContact O-N 3.25Å; H411-S415 VanDerWaalsContact CA-OG 3.24Å; H411-S415 WeakPolarHBondContact CA-OG 3.31Å; H411-S415 PolarHBondContact N-OG 2.97Å; H411-S415 PolarHBondContact O-N 3.36Å; H411-S415 VanDerWaalsContact O-N 3.11Å |
| 412 | G | 98.4 | Very high | 98.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | 43.8 | -124.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E67 F70 M71 Y414 S415 F416 | E67-G412 PolarHBondContact OE1-N 3.28Å; E67-G412 PolarHBondContact OE2-N 3.48Å; F70-G412 VanDerWaalsContact CE1-C 3.5Å; M71-G412 WeakPolarHBondContact CE-O 3.39Å; G412-Y414 PolarHBondContact O-N 3.11Å; G412-S415 WeakPolarHBondContact O-CB 3.44Å; G412-S415 PolarHBondContact O-N 2.87Å; G412-F416 PolarHBondContact O-N 3.2Å |
| 413 | K | 98.7 | Very high | 98.8 | Very high | 66 Ų | 66 | 33.8 Ų | 33.8 | 29% | 0.287 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.8 | -34.5 | 178.8 | 176.3 | 174.5 | -169.2 | -42.1 | 0 | 113 | L78 R82 H411 S415 F416 D417 | L78-K413 HydrophobicContact CD2-CB 4.1Å; L78-K413 HydrophobicContact CD2-CD 3.81Å; L78-K413 HydrophobicContact CD2-CG 3.62Å; R82-K413 VanDerWaalsContact NH1-NZ 3.13Å; H411-K413 PolarHBondContact O-N 3.03Å; K413-S415 VanDerWaalsContact C-N 3.35Å; K413-F416 WeakPolarHBondContact O-CB 3.28Å; K413-F416 PolarHBondContact O-N 3.03Å; K413-D417 IonicContact NZ-OD1 2.8Å; K413-D417 PolarHBondContact NZ-OD1 3.27Å; K413-D417 IonicContact NZ-OD2 2.89Å; K413-D417 PolarHBondContact NZ-OD2 2.96Å; K413-D417 PolarHBondContact O-N 2.94Å |
| 414 | Y | 98.8 | Very high | 98.7 | Very high | 81 Ų | 81 | 36.1 Ų | 36.1 | 32% | 0.318 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -71.6 | -31.5 | -177.9 | -53.5 | -81.3 | 0 | 0 | 0 | 111.7 | S396 L397 P398 H411 G412 D417 A418 | S396-Y414 VanDerWaalsContact O-CE2 3.31Å; S396-Y414 WeakPolarHBondContact O-CE2 3.26Å; S396-Y414 PolarHBondContact O-OH 3.44Å; S396-Y414 VanDerWaalsContact O-OH 3.1Å; L397-Y414 VanDerWaalsContact C-CE2 3.48Å; P398-Y414 HydrophobicContact CB-CD1 3.8Å; P398-Y414 HydrophobicContact CB-CD2 3.83Å; P398-Y414 HydrophobicContact CB-CE1 3.98Å; P398-Y414 HydrophobicContact CB-CE2 4.02Å; P398-Y414 HydrophobicContact CB-CG 3.71Å; P398-Y414 HydrophobicContact CG-CD1 4.48Å; P398-Y414 HydrophobicContact CG-CE1 4.16Å; P398-Y414 HydrophobicContact CG-CE2 4.31Å; P398-Y414 VanDerWaalsContact N-CE2 3.29Å; H411-Y414 WeakPolarHBondContact O-CA 3.5Å; H411-Y414 WeakPolarHBondContact O-CB 3.28Å; H411-Y414 PolarHBondContact O-N 3.25Å; G412-Y414 PolarHBondContact O-N 3.11Å; Y414-D417 PolarHBondContact O-N 3.28Å; Y414-A418 WeakPolarHBondContact O-CB 3.27Å; Y414-A418 PolarHBondContact O-N 3.34Å |
| 415 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.2 | -49.6 | 166.6 | -68 | 0 | 0 | 0 | 0 | 111.2 | E67 H411 G412 K413 D417 A418 F419 | E67-S415 PolarHBondContact OE1-OG 3.09Å; H411-S415 VanDerWaalsContact CA-OG 3.24Å; H411-S415 WeakPolarHBondContact CA-OG 3.31Å; H411-S415 PolarHBondContact N-OG 2.97Å; H411-S415 PolarHBondContact O-N 3.36Å; H411-S415 VanDerWaalsContact O-N 3.11Å; G412-S415 WeakPolarHBondContact O-CB 3.44Å; G412-S415 PolarHBondContact O-N 2.87Å; K413-S415 VanDerWaalsContact C-N 3.35Å; S415-D417 VanDerWaalsContact C-N 3.33Å; S415-D417 PolarHBondContact O-N 3.46Å; S415-A418 PolarHBondContact O-N 2.83Å; S415-F419 WeakPolarHBondContact O-CD2 3.27Å; S415-F419 PolarHBondContact O-N 3.46Å |
| 416 | F | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.9 | -44.2 | 178.7 | 176 | -88.9 | 0 | 0 | 0 | 111.7 | L75 L78 A79 P99 A127 A128 G412 K413 S420 | L75-F416 HydrophobicContact CD1-CD2 3.78Å; L75-F416 HydrophobicContact CD1-CE2 3.64Å; L78-F416 HydrophobicContact CB-CD1 4.07Å; L78-F416 HydrophobicContact CB-CD2 4.33Å; L78-F416 HydrophobicContact CB-CE1 4.13Å; L78-F416 HydrophobicContact CB-CE2 4.38Å; L78-F416 HydrophobicContact CB-CG 4.18Å; L78-F416 HydrophobicContact CB-CZ 4.3Å; L78-F416 HydrophobicContact CD1-CB 4.21Å; L78-F416 HydrophobicContact CD1-CG 4.32Å; L78-F416 VanDerWaalsContact O-CE1 3.26Å; L78-F416 WeakPolarHBondContact O-CE1 3.42Å; L78-F416 WeakPolarHBondContact O-CZ 3.21Å; A79-F416 HydrophobicContact CB-CZ 4.36Å; P99-F416 HydrophobicContact CB-CE1 3.63Å; P99-F416 HydrophobicContact CB-CZ 3.72Å; P99-F416 HydrophobicContact CG-CE1 3.89Å; P99-F416 HydrophobicContact CG-CZ 4.22Å; A127-F416 HydrophobicContact CB-CD2 4.4Å; A128-F416 HydrophobicContact CB-CD2 4.23Å; A128-F416 HydrophobicContact CB-CE2 4.47Å; G412-F416 PolarHBondContact O-N 3.2Å; K413-F416 WeakPolarHBondContact O-CB 3.28Å; K413-F416 PolarHBondContact O-N 3.03Å; F416-S420 VanDerWaalsContact O-CB 3.24Å; F416-S420 WeakPolarHBondContact O-CB 3.31Å; F416-S420 PolarHBondContact O-N 3.42Å; F416-S420 PolarHBondContact O-OG 3.35Å |
| 417 | D | 98.9 | Very high | 98.7 | Very high | 42 Ų | 42 | 44 Ų | 44 | 23% | 0.225 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.9 | -42.7 | 178.8 | -69.1 | -15.2 | 0 | 0 | 0 | 111.7 | R82 K413 Y414 S415 F419 S420 Q422 | R82-D417 IonicContact NH1-OD1 3.74Å; R82-D417 IonicContact NH2-OD1 3.82Å; K413-D417 IonicContact NZ-OD1 2.8Å; K413-D417 PolarHBondContact NZ-OD1 3.27Å; K413-D417 IonicContact NZ-OD2 2.89Å; K413-D417 PolarHBondContact NZ-OD2 2.96Å; K413-D417 PolarHBondContact O-N 2.94Å; Y414-D417 PolarHBondContact O-N 3.28Å; S415-D417 VanDerWaalsContact C-N 3.33Å; S415-D417 PolarHBondContact O-N 3.46Å; D417-F419 VanDerWaalsContact C-N 3.26Å; D417-F419 PolarHBondContact O-N 3.43Å; D417-S420 PolarHBondContact O-N 2.89Å; D417-S420 VanDerWaalsContact O-N 3.14Å; D417-Q422 PolarHBondContact OD1-NE2 3.08Å |
| 418 | A | 98.8 | Very high | 98.6 | Very high | 24 Ų | 24 | 44.9 Ų | 44.9 | 20% | 0.198 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.9 | -33.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y414 S415 | Y414-A418 WeakPolarHBondContact O-CB 3.27Å; Y414-A418 PolarHBondContact O-N 3.34Å; S415-A418 PolarHBondContact O-N 2.83Å |
| 419 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 13.3 | 178.5 | -57.8 | -57.3 | 0 | 0 | 0 | 113.9 | V105 P121 A125 A128 N130 H180 L182 S415 D417 | V105-F419 HydrophobicContact CG1-CD1 3.85Å; V105-F419 HydrophobicContact CG1-CE1 3.61Å; V105-F419 HydrophobicContact CG1-CZ 4.46Å; V105-F419 HydrophobicContact CG2-CD1 4.02Å; P121-F419 HydrophobicContact CB-CZ 4.34Å; P121-F419 VanDerWaalsContact O-CE2 3.27Å; P121-F419 WeakPolarHBondContact O-CE2 3.48Å; A125-F419 HydrophobicContact CB-CD2 4.14Å; A125-F419 HydrophobicContact CB-CE2 4.38Å; A125-F419 HydrophobicContact CB-CG 4.27Å; A128-F419 HydrophobicContact CB-CB 3.71Å; A128-F419 WeakPolarHBondContact CB-O 3.24Å; N130-F419 PolarHBondContact ND2-O 2.87Å; H180-F419 AromaticContact CD2-CD1 3.89Å; H180-F419 AromaticContact CD2-CE1 3.69Å; L182-F419 HydrophobicContact CB-CE1 4.21Å; L182-F419 HydrophobicContact CB-CZ 4.21Å; L182-F419 HydrophobicContact CD1-CE1 4.35Å; L182-F419 HydrophobicContact CD1-CZ 3.7Å; S415-F419 WeakPolarHBondContact O-CD2 3.27Å; S415-F419 PolarHBondContact O-N 3.46Å; D417-F419 VanDerWaalsContact C-N 3.26Å; D417-F419 PolarHBondContact O-N 3.43Å |
| 420 | S | 98.9 | Very high | 98 | Very high | 10 Ų | 10 | 52.9 Ų | 52.9 | 7% | 0.07 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 143.9 | 177.3 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | E100 A128 F416 D417 | E100-S420 CarbonylContact O-C 3.55Å; E100-S420 VanDerWaalsContact O-CA 3.32Å; E100-S420 WeakPolarHBondContact O-CA 3.41Å; A128-S420 WeakPolarHBondContact CB-OG 3.44Å; F416-S420 VanDerWaalsContact O-CB 3.24Å; F416-S420 WeakPolarHBondContact O-CB 3.31Å; F416-S420 PolarHBondContact O-N 3.42Å; F416-S420 PolarHBondContact O-OG 3.35Å; D417-S420 PolarHBondContact O-N 2.89Å; D417-S420 VanDerWaalsContact O-N 3.14Å |
| 421 | H | 98.9 | Very high | 97.6 | Very high | 91 Ų | 91 | 62.1 Ų | 62.1 | 42% | 0.421 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 124.4 | 161.7 | 177.7 | -124.7 | 0 | 0 | 0 | 109.7 | P99 E100 L102 R423 | P99-H421 WeakPolarHBondContact CA-O 3.24Å; E100-H421 HydrophobicContact CG-CB 3.95Å; E100-H421 PolarHBondContact N-O 2.68Å; E100-H421 PolarHBondContact O-N 3.1Å; E100-H421 IonicContact OE1-CE1 3.71Å; E100-H421 IonicContact OE1-ND1 2.76Å; E100-H421 PolarHBondContact OE1-ND1 3.1Å; L102-H421 HydrophobicContact CD2-CB 3.89Å; H421-R423 PolarHBondContact O-N 2.93Å |
| 422 | Q | 98.6 | Very high | 96.9 | Very high | 59 Ų | 59 | 64 Ų | 64 | 28% | 0.276 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 80.1 | 177.8 | -60.1 | -61.7 | -36.8 | 0 | 0 | 109.8 | V97 D417 P424 | V97-Q422 HydrophobicContact CG1-CB 3.76Å; D417-Q422 PolarHBondContact OD1-NE2 3.08Å; Q422-P424 VanDerWaalsContact O-CD 3.3Å; Q422-P424 WeakPolarHBondContact O-CD 3.42Å |
| 423 | R | 98.7 | Very high | 96.6 | Very high | 106 Ų | 106 | 68.9 Ų | 68.9 | 40% | 0.4 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 118.8 | -170.9 | -172.3 | 170.6 | 70.5 | -155.4 | -1.6 | 112.2 | V97 Q98 E100 H421 | V97-R423 CarbonylContact C-O 3.51Å; V97-R423 WeakPolarHBondContact CA-O 3.06Å; Q98-R423 PolarHBondContact N-O 2.98Å; Q98-R423 WeakPolarHBondContact O-CB 3.33Å; Q98-R423 PolarHBondContact O-N 3.26Å; E100-R423 WeakPolarHBondContact OE1-CD 3.5Å; E100-R423 IonicContact OE1-CZ 2.66Å; E100-R423 IonicContact OE1-NE 2.56Å; E100-R423 IonicContact OE1-NH1 4Å; E100-R423 PolarHBondContact OE1-NH1 2.89Å; E100-R423 IonicContact OE2-CZ 2.83Å; E100-R423 VanDerWaalsContact OE2-CZ 3.28Å; E100-R423 IonicContact OE2-NE 3.89Å; E100-R423 IonicContact OE2-NH1 2.75Å; E100-R423 PolarHBondContact OE2-NH1 3.29Å; E100-R423 IonicContact OE2-NH2 3.69Å; H421-R423 PolarHBondContact O-N 2.93Å |
| 424 | P | 98.4 | Very high | 96.1 | Very high | 99 Ų | 99 | 69.9 Ų | 69.9 | 64% | 0.643 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 135 | 172.7 | 31.5 | -33.6 | 0 | 0 | 0 | 111 | Q422 | Q422-P424 VanDerWaalsContact O-CD 3.3Å; Q422-P424 WeakPolarHBondContact O-CD 3.42Å |
| 425 | C | 98.6 | Very high | 95.5 | Very high | 22 Ų | 22 | 70.3 Ų | 70.3 | 15% | 0.149 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 130.4 | 178.4 | -64.5 | 0 | 0 | 0 | 0 | 109.5 | A95 Y96 | A95-C425 VanDerWaalsContact CA-O 3.32Å; A95-C425 WeakPolarHBondContact CA-O 3.31Å; Y96-C425 HydrophobicContact CD1-CB 4Å; Y96-C425 HydrophobicContact CD2-CB 3.9Å; Y96-C425 HydrophobicContact CE1-CB 3.62Å; Y96-C425 HydrophobicContact CE2-CB 3.53Å; Y96-C425 HydrophobicContact CG-CB 4.13Å; Y96-C425 PolarHBondContact N-O 3.37Å; Y96-C425 PolarHBondContact O-N 3.11Å |
| 426 | L | 98.3 | Very high | 95.2 | Very high | 86 Ų | 86 | 71.7 Ų | 71.7 | 45% | 0.45 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 109.4 | 171.6 | 178.5 | 70.7 | 0 | 0 | 0 | 108.3 | T90 D93 E94 A95 K428 | T90-L426 HydrophobicContact CG2-CD1 4.01Å; T90-L426 HydrophobicContact CG2-CD2 4.04Å; D93-L426 HydrophobicContact CB-CD1 3.67Å; E94-L426 CarbonylContact O-C 3.55Å; E94-L426 WeakPolarHBondContact O-CA 3.42Å; A95-L426 HydrophobicContact CB-CD1 4.04Å; L426-K428 HydrophobicContact CD2-CD 4.4Å; L426-K428 HydrophobicContact CD2-CG 4.35Å; L426-K428 HydrophobicContact CG-CG 4.22Å |
| 427 | L | 97.9 | Very high | 94.8 | Very high | 87 Ų | 87 | 78.4 Ų | 78.4 | 46% | 0.455 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 113.8 | 178.3 | -50 | -178.2 | 0 | 0 | 0 | 109.2 | E94 Y96 | E94-L427 HydrophobicContact CB-CB 4.15Å; E94-L427 PolarHBondContact N-O 2.96Å; E94-L427 VanDerWaalsContact N-O 3.12Å; E94-L427 PolarHBondContact O-N 2.85Å; Y96-L427 HydrophobicContact CE1-CD1 3.88Å; Y96-L427 HydrophobicContact CE1-CG 4.07Å |
| 428 | K | 96.2 | Very high | 94.4 | Very high | 95 Ų | 95 | 79.2 Ų | 79.2 | 41% | 0.413 | 43% | 0.428 | S | S | . | . | trans | -101.8 | 138.9 | 176.4 | -56.7 | -172 | 69.3 | 71 | 0 | 109.7 | D93 L426 | D93-K428 VanDerWaalsContact CG-NZ 3.33Å; D93-K428 IonicContact OD1-NZ 2.68Å; D93-K428 PolarHBondContact OD1-NZ 3.42Å; D93-K428 IonicContact OD2-NZ 2.64Å; D93-K428 PolarHBondContact OD2-NZ 3.31Å; L426-K428 HydrophobicContact CD2-CD 4.4Å; L426-K428 HydrophobicContact CD2-CG 4.35Å; L426-K428 HydrophobicContact CG-CG 4.22Å | ||
| 429 | G | 92.5 | Very high | 94 | Very high | 54 Ų | 54 | 85.7 Ų | 85.7 | 56% | 0.557 | 45% | 0.448 | S | S | * | . | trans | -75.7 | 162.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K431 | G429-K431 PolarHBondContact O-N 2.82Å; G429-K431 VanDerWaalsContact O-N 3.1Å | ||
| 430 | L | 94 | Very high | 93.8 | Very high | 185 Ų | 185 | 89.6 Ų | 89.6 | 97% | 0.969 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -79.1 | 24.8 | 171.7 | -61.4 | 177 | 0 | 0 | 0 | 113.2 | ||
| 431 | K | 90.1 | Very high | 93.7 | Very high | 193 Ų | 193 | 94.6 Ų | 94.6 | 84% | 0.839 | 50% | 0.495 | S | S | * | . | trans | -103.6 | 161.2 | 179.6 | -65.2 | -179.6 | -178.3 | 176.4 | 0 | 110.1 | G429 | G429-K431 PolarHBondContact O-N 2.82Å; G429-K431 VanDerWaalsContact O-N 3.1Å | ||
| 432 | G | 83.7 | Confident | 93.4 | Very high | 42 Ų | 42 | 95.6 Ų | 95.6 | 43% | 0.433 | 51% | 0.51 | S | S | . | . | trans | 76.3 | 20.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S434 V435 | G432-S434 PolarHBondContact O-N 3.07Å; G432-S434 VanDerWaalsContact O-N 3.16Å; G432-V435 VanDerWaalsContact O-CB 3.32Å; G432-V435 WeakPolarHBondContact O-CB 3.38Å; G432-V435 PolarHBondContact O-N 3.33Å | ||
| 433 | E | 92.7 | Very high | 93.2 | Very high | 103 Ų | 103 | 98.5 Ų | 98.5 | 48% | 0.481 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.3 | -28.7 | -177.9 | -175.4 | 58.9 | -170.9 | 0 | 0 | 113.6 | V435 N436 Y440 | E433-V435 VanDerWaalsContact C-N 3.26Å; E433-V435 PolarHBondContact O-N 2.78Å; E433-N436 WeakPolarHBondContact O-CB 3.5Å; E433-N436 PolarHBondContact O-N 3.37Å; E433-N436 VanDerWaalsContact O-N 3.12Å; E433-N436 PolarHBondContact OE2-ND2 2.99Å; E433-Y440 VanDerWaalsContact CD-OH 3.28Å; E433-Y440 WeakPolarHBondContact OE1-CE2 3.27Å; E433-Y440 VanDerWaalsContact OE1-CZ 3.26Å; E433-Y440 PolarHBondContact OE1-OH 3.25Å; E433-Y440 PolarHBondContact OE2-OH 3.45Å; E433-Y440 VanDerWaalsContact OE2-OH 3.14Å |
| 434 | S | 88 | Confident | 93 | Very high | 87 Ų | 87 | 96 Ų | 96 | 61% | 0.608 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.8 | -34.3 | 173 | 56.2 | 0 | 0 | 0 | 0 | 113 | G432 N436 K437 | G432-S434 PolarHBondContact O-N 3.07Å; G432-S434 VanDerWaalsContact O-N 3.16Å; S434-N436 VanDerWaalsContact C-N 3.3Å; S434-K437 VanDerWaalsContact O-CB 3.31Å; S434-K437 WeakPolarHBondContact O-CB 3.45Å; S434-K437 WeakPolarHBondContact O-CG 3.34Å; S434-K437 PolarHBondContact O-N 3.23Å |
| 435 | V | 86.5 | Confident | 92.8 | Very high | 90 Ų | 90 | 99.3 Ų | 99.3 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.9 | -34.6 | 176.6 | -175.9 | 0 | 0 | 0 | 0 | 110.4 | G432 E433 K437 L438 | G432-V435 VanDerWaalsContact O-CB 3.32Å; G432-V435 WeakPolarHBondContact O-CB 3.38Å; G432-V435 PolarHBondContact O-N 3.33Å; E433-V435 VanDerWaalsContact C-N 3.26Å; E433-V435 PolarHBondContact O-N 2.78Å; V435-K437 PolarHBondContact O-N 2.92Å; V435-K437 VanDerWaalsContact O-N 3.16Å; V435-L438 HydrophobicContact CG1-CD1 4.48Å; V435-L438 WeakPolarHBondContact O-CB 3.35Å; V435-L438 PolarHBondContact O-N 2.92Å; V435-L438 VanDerWaalsContact O-N 3.16Å |
| 436 | N | 91.4 | Very high | 92.5 | Very high | 29 Ų | 29 | 102.6 Ų | 102.6 | 16% | 0.155 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -65 | -17.8 | 178 | -68.4 | -32.9 | 0 | 0 | 0 | 113.2 | E433 S434 L438 R439 Y440 | E433-N436 WeakPolarHBondContact O-CB 3.5Å; E433-N436 PolarHBondContact O-N 3.37Å; E433-N436 VanDerWaalsContact O-N 3.12Å; E433-N436 PolarHBondContact OE2-ND2 2.99Å; S434-N436 VanDerWaalsContact C-N 3.3Å; N436-L438 PolarHBondContact O-N 3.43Å; N436-R439 HydrophobicContact CB-CG 4.4Å; N436-R439 PolarHBondContact ND2-NH2 3.17Å; N436-R439 WeakPolarHBondContact O-CG 3.42Å; N436-R439 PolarHBondContact O-N 2.84Å; N436-R439 PolarHBondContact OD1-NE 2.95Å; N436-R439 PolarHBondContact OD1-NH2 3.45Å; N436-Y440 HydrophobicContact CB-CD2 4.25Å; N436-Y440 HydrophobicContact CB-CE1 4Å; N436-Y440 HydrophobicContact CB-CE2 3.48Å; N436-Y440 VanDerWaalsContact CB-CE2 3.48Å; N436-Y440 VanDerWaalsContact CB-OH 3.32Å; N436-Y440 WeakPolarHBondContact CB-OH 3.43Å; N436-Y440 PolarHBondContact ND2-OH 2.93Å; N436-Y440 WeakPolarHBondContact O-CD2 3.36Å; N436-Y440 VanDerWaalsContact O-CG 3.27Å; N436-Y440 PolarHBondContact O-N 3.16Å; N436-Y440 VanDerWaalsContact O-N 3.15Å |
| 437 | K | 91.5 | Very high | 92.2 | Very high | 142 Ų | 142 | 100.2 Ų | 100.2 | 62% | 0.617 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -26.4 | 172.2 | -67.3 | -175.6 | 176.9 | -175.8 | 0 | 112.9 | S434 V435 R439 Y440 K447 | S434-K437 VanDerWaalsContact O-CB 3.31Å; S434-K437 WeakPolarHBondContact O-CB 3.45Å; S434-K437 WeakPolarHBondContact O-CG 3.34Å; S434-K437 PolarHBondContact O-N 3.23Å; V435-K437 PolarHBondContact O-N 2.92Å; V435-K437 VanDerWaalsContact O-N 3.16Å; K437-R439 VanDerWaalsContact C-N 3.29Å; K437-R439 PolarHBondContact O-N 3.19Å; K437-Y440 PolarHBondContact O-N 3.26Å; K437-K447 WeakPolarHBondContact O-CE 3.3Å; K437-K447 PolarHBondContact O-NZ 3.22Å |
| 438 | L | 88.7 | Confident | 91.8 | Very high | 60 Ų | 60 | 98.8 Ų | 98.8 | 31% | 0.314 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -29.2 | 176.1 | -68.8 | 168 | 0 | 0 | 0 | 113.2 | V435 N436 W450 | V435-L438 HydrophobicContact CG1-CD1 4.48Å; V435-L438 WeakPolarHBondContact O-CB 3.35Å; V435-L438 PolarHBondContact O-N 2.92Å; V435-L438 VanDerWaalsContact O-N 3.16Å; N436-L438 PolarHBondContact O-N 3.43Å; L438-W450 HydrophobicContact CD1-CD2 3.79Å; L438-W450 HydrophobicContact CD1-CE3 4Å; L438-W450 HydrophobicContact CD1-CH2 3.8Å; L438-W450 HydrophobicContact CD1-CZ2 3.54Å; L438-W450 HydrophobicContact CD1-CZ3 4.01Å; L438-W450 HydrophobicContact CD2-CD2 4.06Å; L438-W450 HydrophobicContact CD2-CE3 4.38Å; L438-W450 HydrophobicContact CD2-CG 4.08Å; L438-W450 HydrophobicContact CG-CD2 4.47Å |
| 439 | R | 91.6 | Very high | 91.5 | Very high | 160 Ų | 160 | 97.6 Ų | 97.6 | 60% | 0.604 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -13.5 | 176.6 | 63.4 | 170 | -175.6 | 177.4 | 3.2 | 113.9 | N436 K437 | N436-R439 HydrophobicContact CB-CG 4.4Å; N436-R439 PolarHBondContact ND2-NH2 3.17Å; N436-R439 WeakPolarHBondContact O-CG 3.42Å; N436-R439 PolarHBondContact O-N 2.84Å; N436-R439 PolarHBondContact OD1-NE 2.95Å; N436-R439 PolarHBondContact OD1-NH2 3.45Å; K437-R439 VanDerWaalsContact C-N 3.29Å; K437-R439 PolarHBondContact O-N 3.19Å |
| 440 | Y | 95.4 | Very high | 91.3 | Very high | 81 Ų | 81 | 98.6 Ų | 98.6 | 32% | 0.318 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -82.4 | 150.9 | -179.5 | -61.2 | -29 | 0 | 0 | 0 | 112.9 | E433 N436 K437 K447 | E433-Y440 VanDerWaalsContact CD-OH 3.28Å; E433-Y440 WeakPolarHBondContact OE1-CE2 3.27Å; E433-Y440 VanDerWaalsContact OE1-CZ 3.26Å; E433-Y440 PolarHBondContact OE1-OH 3.25Å; E433-Y440 PolarHBondContact OE2-OH 3.45Å; E433-Y440 VanDerWaalsContact OE2-OH 3.14Å; N436-Y440 HydrophobicContact CB-CD2 4.25Å; N436-Y440 HydrophobicContact CB-CE1 4Å; N436-Y440 HydrophobicContact CB-CE2 3.48Å; N436-Y440 VanDerWaalsContact CB-CE2 3.48Å; N436-Y440 VanDerWaalsContact CB-OH 3.32Å; N436-Y440 WeakPolarHBondContact CB-OH 3.43Å; N436-Y440 PolarHBondContact ND2-OH 2.93Å; N436-Y440 WeakPolarHBondContact O-CD2 3.36Å; N436-Y440 VanDerWaalsContact O-CG 3.27Å; N436-Y440 PolarHBondContact O-N 3.16Å; N436-Y440 VanDerWaalsContact O-N 3.15Å; K437-Y440 PolarHBondContact O-N 3.26Å; Y440-K447 PolarHBondContact O-NZ 3.46Å |
| 441 | P | 95.2 | Very high | 90.9 | Very high | 116 Ų | 116 | 91.2 Ų | 91.2 | 75% | 0.753 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -64.5 | 159 | 166 | -22.3 | 34.8 | 0 | 0 | 0 | 113.5 | ||
| 442 | P | 94 | Very high | 90.7 | Very high | 111 Ų | 111 | 88.1 Ų | 88.1 | 72% | 0.721 | 48% | 0.48 | S | S | * | . | S | Bend | cis | -71.6 | 151 | -8.1 | 30.7 | -34.7 | 0 | 0 | 0 | 111.5 | K447 | P442-K447 PolarHBondContact O-NZ 2.58Š|
| 443 | N | 93.3 | Very high | 90.9 | Very high | 120 Ų | 120 | 90.2 Ų | 90.2 | 64% | 0.642 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 162.6 | 177.5 | -154.9 | -2 | 0 | 0 | 0 | 111 | ||
| 444 | S | 95.1 | Very high | 90.4 | Very high | 53 Ų | 53 | 89.4 Ų | 89.4 | 37% | 0.371 | 47% | 0.472 | S | S | . | . | trans | -153.8 | 158.4 | 176 | 69.2 | 0 | 0 | 0 | 0 | 111.5 | S446 K447 V448 | S444-S446 PolarHBondContact O-N 3Å; S444-K447 PolarHBondContact O-N 3.22Å; S444-K447 PolarHBondContact OG-N 3.35Å; S444-V448 PolarHBondContact O-N 3.27Å; S444-V448 VanDerWaalsContact O-N 3.09Å | ||
| 445 | E | 93.9 | Very high | 90.1 | Very high | 169 Ų | 169 | 89.3 Ų | 89.3 | 79% | 0.79 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -56.3 | -32.9 | 174 | -65.9 | -172.6 | 165.4 | 0 | 0 | 112.3 | V448 S449 | E445-V448 PolarHBondContact O-N 3.07Å; E445-S449 VanDerWaalsContact O-CB 3.27Å; E445-S449 WeakPolarHBondContact O-CB 3.47Å; E445-S449 PolarHBondContact O-N 2.89Å; E445-S449 PolarHBondContact O-OG 2.9Å |
| 446 | S | 92 | Very high | 89.8 | Confident | 91 Ų | 91 | 91.3 Ų | 91.3 | 64% | 0.636 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.7 | -45.5 | 175.4 | -178.3 | 0 | 0 | 0 | 0 | 111.8 | S444 S449 W450 | S444-S446 PolarHBondContact O-N 3Å; S446-S449 PolarHBondContact O-N 3.3Å; S446-W450 WeakPolarHBondContact O-CB 3.37Å; S446-W450 PolarHBondContact O-N 3.22Å |
| 447 | K | 91.9 | Very high | 88.7 | Confident | 37 Ų | 37 | 95.6 Ų | 95.6 | 16% | 0.161 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 176.3 | -73.4 | 177.3 | 178.8 | -179.4 | 0 | 111.8 | K437 Y440 P442 S444 W450 A451 | K437-K447 WeakPolarHBondContact O-CE 3.3Å; K437-K447 PolarHBondContact O-NZ 3.22Å; Y440-K447 PolarHBondContact O-NZ 3.46Å; P442-K447 PolarHBondContact O-NZ 2.58Å; S444-K447 PolarHBondContact O-N 3.22Å; S444-K447 PolarHBondContact OG-N 3.35Å; K447-W450 PolarHBondContact O-N 3.05Å; K447-A451 PolarHBondContact O-N 2.9Å |
| 448 | V | 90.6 | Very high | 86.9 | Confident | 57 Ų | 57 | 98.1 Ų | 98.1 | 35% | 0.345 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 176.9 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | S444 E445 A451 K452 | S444-V448 PolarHBondContact O-N 3.27Å; S444-V448 VanDerWaalsContact O-N 3.09Å; E445-V448 PolarHBondContact O-N 3.07Å; V448-A451 PolarHBondContact O-N 3.5Å; V448-K452 HydrophobicContact CG1-CD 4.33Å; V448-K452 WeakPolarHBondContact O-CG 3.42Å; V448-K452 PolarHBondContact O-N 2.92Å |
| 449 | S | 90.1 | Very high | 85.3 | Confident | 70 Ų | 70 | 98.7 Ų | 98.7 | 49% | 0.49 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 177.8 | -62.5 | 0 | 0 | 0 | 0 | 112.1 | E445 S446 K452 F453 | E445-S449 VanDerWaalsContact O-CB 3.27Å; E445-S449 WeakPolarHBondContact O-CB 3.47Å; E445-S449 PolarHBondContact O-N 2.89Å; E445-S449 PolarHBondContact O-OG 2.9Å; S446-S449 PolarHBondContact O-N 3.3Å; S449-K452 PolarHBondContact O-N 2.8Å; S449-F453 WeakPolarHBondContact O-CB 3.34Å; S449-F453 PolarHBondContact O-N 2.92Å |
| 450 | W | 88.1 | Confident | 83.4 | Confident | 74 Ų | 74 | 97.2 Ų | 97.2 | 28% | 0.28 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58 | -49.2 | 171.2 | -178.5 | 95.3 | 0 | 0 | 0 | 111.1 | L89 L438 S446 K447 K452 F453 F454 | L89-W450 HydrophobicContact CD2-CH2 4.28Å; L438-W450 HydrophobicContact CD1-CD2 3.79Å; L438-W450 HydrophobicContact CD1-CE3 4Å; L438-W450 HydrophobicContact CD1-CH2 3.8Å; L438-W450 HydrophobicContact CD1-CZ2 3.54Å; L438-W450 HydrophobicContact CD1-CZ3 4.01Å; L438-W450 HydrophobicContact CD2-CD2 4.06Å; L438-W450 HydrophobicContact CD2-CE3 4.38Å; L438-W450 HydrophobicContact CD2-CG 4.08Å; L438-W450 HydrophobicContact CG-CD2 4.47Å; S446-W450 WeakPolarHBondContact O-CB 3.37Å; S446-W450 PolarHBondContact O-N 3.22Å; K447-W450 PolarHBondContact O-N 3.05Å; W450-K452 PolarHBondContact O-N 3.1Å; W450-F453 PolarHBondContact O-N 2.62Å; W450-F453 VanDerWaalsContact O-N 3.12Å; W450-F454 AromaticContact CD1-CD2 3.4Å; W450-F454 VanDerWaalsContact CD1-CD2 3.4Å; W450-F454 AromaticContact CD1-CE2 3.37Å; W450-F454 AromaticContact CD2-CD2 3.76Å; W450-F454 HydrophobicContact CD2-CD2 3.76Å; W450-F454 HydrophobicContact CD2-CE2 4.47Å; W450-F454 AromaticContact CE2-CD2 3.38Å; W450-F454 AromaticContact CE2-CE2 3.94Å; W450-F454 AromaticContact CE2-CG 3.99Å; W450-F454 AromaticContact CG-CD2 3.74Å; W450-F454 HydrophobicContact CG-CD2 3.74Å; W450-F454 HydrophobicContact CG-CE2 4.13Å; W450-F454 HydrophobicContact CH2-CB 4.35Å; W450-F454 HydrophobicContact CZ2-CB 4.17Å; W450-F454 AromaticContact CZ2-CD2 3.99Å; W450-F454 HydrophobicContact CZ2-CD2 3.99Å; W450-F454 HydrophobicContact CZ2-CG 4.13Å; W450-F454 AromaticContact NE1-CD2 3.17Å; W450-F454 AromaticContact NE1-CE2 3.23Å; W450-F454 WeakPolarHBondContact O-CD2 3.36Å; W450-F454 PolarHBondContact O-N 3.46Å |
| 451 | A | 85.8 | Confident | 81.3 | Confident | 31 Ų | 31 | 102.2 Ų | 102.2 | 26% | 0.256 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K447 V448 F453 F454 L455 | K447-A451 PolarHBondContact O-N 2.9Å; V448-A451 PolarHBondContact O-N 3.5Å; A451-F453 VanDerWaalsContact C-N 3.3Å; A451-F453 PolarHBondContact O-N 3.34Å; A451-F454 PolarHBondContact O-N 3.23Å; A451-L455 HydrophobicContact CB-CD1 4.23Å; A451-L455 WeakPolarHBondContact O-CA 3.33Å; A451-L455 VanDerWaalsContact O-CB 3.27Å; A451-L455 WeakPolarHBondContact O-CB 3.35Å; A451-L455 PolarHBondContact O-N 3.27Å |
| 452 | K | 86.1 | Confident | 79.4 | Confident | 128 Ų | 128 | 99.2 Ų | 99.2 | 56% | 0.557 | 52% | 0.52 | S | S | * | . | I | π-helix | trans | -58.2 | -42.1 | 173.9 | -73.5 | 177.6 | 177.7 | 179.5 | 0 | 111.7 | V448 S449 W450 L456 K457 | V448-K452 HydrophobicContact CG1-CD 4.33Å; V448-K452 WeakPolarHBondContact O-CG 3.42Å; V448-K452 PolarHBondContact O-N 2.92Å; S449-K452 PolarHBondContact O-N 2.8Å; W450-K452 PolarHBondContact O-N 3.1Å; K452-L456 HydrophobicContact CG-CD1 4.21Å; K452-L456 WeakPolarHBondContact O-CB 3.32Å; K452-K457 PolarHBondContact O-N 3Å |
| 453 | F | 86.3 | Confident | 77.5 | Confident | 86 Ų | 86 | 102.7 Ų | 102.7 | 38% | 0.377 | 52% | 0.519 | S | S | . | . | I | π-helix | trans | -70.9 | -44.3 | -179.1 | -174.5 | -89.7 | 0 | 0 | 0 | 112.9 | S449 W450 A451 K457 F459 | S449-F453 WeakPolarHBondContact O-CB 3.34Å; S449-F453 PolarHBondContact O-N 2.92Å; W450-F453 PolarHBondContact O-N 2.62Å; W450-F453 VanDerWaalsContact O-N 3.12Å; A451-F453 VanDerWaalsContact C-N 3.3Å; A451-F453 PolarHBondContact O-N 3.34Å; F453-K457 HydrophobicContact CD2-CD 4.05Å; F453-K457 HydrophobicContact CE2-CD 4.29Å; F453-K457 VanDerWaalsContact O-CB 3.31Å; F453-K457 WeakPolarHBondContact O-CB 3.3Å; F453-F459 HydrophobicContact CD1-CZ 4.3Å; F453-F459 HydrophobicContact CE1-CE2 4.34Å; F453-F459 AromaticContact CE1-CZ 3.67Å; F453-F459 HydrophobicContact CE1-CZ 3.67Å; F453-F459 AromaticContact CZ-CZ 3.84Å; F453-F459 HydrophobicContact CZ-CZ 3.84Å; F453-F459 WeakPolarHBondContact O-CE2 3.26Å |
| 454 | F | 82 | Confident | 75.6 | Confident | 86 Ų | 86 | 101.2 Ų | 101.2 | 38% | 0.377 | 51% | 0.51 | S | S | . | . | I | π-helix | trans | -96.4 | -28.2 | -170.4 | -73.6 | -76.2 | 0 | 0 | 0 | 114.8 | L88 W450 A451 | L88-F454 HydrophobicContact CD2-CB 4.1Å; W450-F454 AromaticContact CD1-CD2 3.4Å; W450-F454 VanDerWaalsContact CD1-CD2 3.4Å; W450-F454 AromaticContact CD1-CE2 3.37Å; W450-F454 AromaticContact CD2-CD2 3.76Å; W450-F454 HydrophobicContact CD2-CD2 3.76Å; W450-F454 HydrophobicContact CD2-CE2 4.47Å; W450-F454 AromaticContact CE2-CD2 3.38Å; W450-F454 AromaticContact CE2-CE2 3.94Å; W450-F454 AromaticContact CE2-CG 3.99Å; W450-F454 AromaticContact CG-CD2 3.74Å; W450-F454 HydrophobicContact CG-CD2 3.74Å; W450-F454 HydrophobicContact CG-CE2 4.13Å; W450-F454 HydrophobicContact CH2-CB 4.35Å; W450-F454 HydrophobicContact CZ2-CB 4.17Å; W450-F454 AromaticContact CZ2-CD2 3.99Å; W450-F454 HydrophobicContact CZ2-CD2 3.99Å; W450-F454 HydrophobicContact CZ2-CG 4.13Å; W450-F454 AromaticContact NE1-CD2 3.17Å; W450-F454 AromaticContact NE1-CE2 3.23Å; W450-F454 WeakPolarHBondContact O-CD2 3.36Å; W450-F454 PolarHBondContact O-N 3.46Å; A451-F454 PolarHBondContact O-N 3.23Å |
| 455 | L | 82.4 | Confident | 73.8 | Confident | 84 Ų | 84 | 100.7 Ų | 100.7 | 44% | 0.44 | 51% | 0.514 | S | S | . | . | I | π-helix | trans | -99.9 | -29.2 | -177.2 | -55.7 | 179.2 | 0 | 0 | 0 | 113 | L88 L89 A451 | L88-L455 HydrophobicContact CD2-CD2 4.45Å; L89-L455 HydrophobicContact CD1-CD1 4.37Å; L89-L455 HydrophobicContact CD1-CD2 4.19Å; L89-L455 HydrophobicContact CD2-CD2 4.07Å; L89-L455 HydrophobicContact CG-CD2 4.01Å; A451-L455 HydrophobicContact CB-CD1 4.23Å; A451-L455 WeakPolarHBondContact O-CA 3.33Å; A451-L455 VanDerWaalsContact O-CB 3.27Å; A451-L455 WeakPolarHBondContact O-CB 3.35Å; A451-L455 PolarHBondContact O-N 3.27Å |
| 456 | L | 80.3 | Confident | 71.9 | Confident | 132 Ų | 132 | 98.7 Ų | 98.7 | 69% | 0.691 | 51% | 0.506 | S | S | * | . | I | π-helix | trans | -102.7 | -27.3 | -176.1 | -56.6 | -179.6 | 0 | 0 | 0 | 114.1 | K452 Q458 | K452-L456 HydrophobicContact CG-CD1 4.21Å; K452-L456 WeakPolarHBondContact O-CB 3.32Å; L456-Q458 PolarHBondContact O-N 3.07Å; L456-Q458 VanDerWaalsContact O-N 3.09Å |
| 457 | K | 68 | Low | 70.3 | Confident | 120 Ų | 120 | 98.7 Ų | 98.7 | 52% | 0.522 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -70.2 | 112.9 | 173.4 | -70.8 | -168.2 | 172.3 | -176.5 | 0 | 109 | K452 F453 F459 | K452-K457 PolarHBondContact O-N 3Å; F453-K457 HydrophobicContact CD2-CD 4.05Å; F453-K457 HydrophobicContact CE2-CD 4.29Å; F453-K457 VanDerWaalsContact O-CB 3.31Å; F453-K457 WeakPolarHBondContact O-CB 3.3Å; K457-F459 HydrophobicContact CB-CD2 4.23Å; K457-F459 HydrophobicContact CB-CE2 4.02Å; K457-F459 WeakPolarHBondContact O-CD2 3.44Å; K457-F459 PolarHBondContact O-N 3.49Å |
| 458 | Q | 53.7 | Low | 68.9 | Low | 194 Ų | 194 | 102 Ų | 102 | 91% | 0.907 | 52% | 0.517 | S | S | * | . | trans | -63.4 | 92.1 | 162.3 | -69.6 | -174.1 | -2.9 | 0 | 0 | 107.9 | L456 N460 | L456-Q458 PolarHBondContact O-N 3.07Å; L456-Q458 VanDerWaalsContact O-N 3.09Å; Q458-N460 VanDerWaalsContact C-N 3.34Å; Q458-N460 PolarHBondContact O-N 3.26Å | ||
| 459 | F | 55.1 | Low | 67.6 | Low | 72 Ų | 72 | 106 Ų | 106 | 32% | 0.316 | 53% | 0.53 | S | S | . | . | trans | -64.7 | 100.9 | 168.5 | -79.8 | -85.6 | 0 | 0 | 0 | 107.4 | F453 K457 K461 | F453-F459 HydrophobicContact CD1-CZ 4.3Å; F453-F459 HydrophobicContact CE1-CE2 4.34Å; F453-F459 AromaticContact CE1-CZ 3.67Å; F453-F459 HydrophobicContact CE1-CZ 3.67Å; F453-F459 AromaticContact CZ-CZ 3.84Å; F453-F459 HydrophobicContact CZ-CZ 3.84Å; F453-F459 WeakPolarHBondContact O-CE2 3.26Å; K457-F459 HydrophobicContact CB-CD2 4.23Å; K457-F459 HydrophobicContact CB-CE2 4.02Å; K457-F459 WeakPolarHBondContact O-CD2 3.44Å; K457-F459 PolarHBondContact O-N 3.49Å; F459-K461 PolarHBondContact O-N 2.86Å | ||
| 460 | N | 51.4 | Low | 66.6 | Low | 129 Ų | 129 | 106.7 Ų | 106.7 | 69% | 0.69 | 53% | 0.531 | S | S | * | . | trans | -55 | 126.1 | 173 | -161.4 | -9 | 0 | 0 | 0 | 107.9 | Q458 G462 R463 | Q458-N460 VanDerWaalsContact C-N 3.34Å; Q458-N460 PolarHBondContact O-N 3.26Å; N460-G462 PolarHBondContact O-N 3.14Å; N460-R463 PolarHBondContact O-N 2.93Å | ||
| 461 | K | 52.2 | Low | 65.8 | Low | 187 Ų | 187 | 106.7 Ų | 106.7 | 81% | 0.813 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -50.9 | -30.4 | -168.2 | -76.3 | -179 | 176.8 | 177.6 | 0 | 113.2 | F459 R463 L464 G465 | F459-K461 PolarHBondContact O-N 2.86Å; K461-R463 PolarHBondContact O-N 3.28Å; K461-L464 PolarHBondContact O-N 3.26Å; K461-G465 PolarHBondContact O-N 3.48Å; K461-G465 VanDerWaalsContact O-N 3.15Å |
| 462 | G | 54.1 | Low | 65.1 | Low | 53 Ų | 53 | 110.9 Ų | 110.9 | 55% | 0.546 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.5 | -35.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.8 | N460 M466 | N460-G462 PolarHBondContact O-N 3.14Å; G462-M466 WeakPolarHBondContact O-CB 3.26Å; G462-M466 PolarHBondContact O-N 3.26Å |
| 463 | R | 54.4 | Low | 64.3 | Low | 184 Ų | 184 | 108.4 Ų | 108.4 | 69% | 0.694 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -77.4 | -33.4 | 178.3 | -84 | -175 | 173.6 | 173 | -1.4 | 112.9 | N460 K461 M466 L467 | N460-R463 PolarHBondContact O-N 2.93Å; K461-R463 PolarHBondContact O-N 3.28Å; R463-M466 PolarHBondContact O-N 3.16Å; R463-L467 WeakPolarHBondContact O-CB 3.31Å; R463-L467 PolarHBondContact O-N 2.84Å |
| 464 | L | 54.4 | Low | 63.6 | Low | 88 Ų | 88 | 106.8 Ų | 106.8 | 46% | 0.461 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.9 | -38.6 | 176.8 | -162.9 | 72.9 | 0 | 0 | 0 | 111.4 | K461 M466 L467 L468 | K461-L464 PolarHBondContact O-N 3.26Å; L464-M466 VanDerWaalsContact C-N 3.32Å; L464-M466 PolarHBondContact O-N 3.4Å; L464-L467 PolarHBondContact O-N 2.85Å; L464-L468 HydrophobicContact CG-CD1 4.37Å; L464-L468 WeakPolarHBondContact O-CB 3.4Å; L464-L468 WeakPolarHBondContact O-CG 3.49Å; L464-L468 PolarHBondContact O-N 2.91Å |
| 465 | G | 56.1 | Low | 63.3 | Low | 43 Ų | 43 | 106.9 Ų | 106.9 | 44% | 0.443 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.6 | -41.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K461 F469 | K461-G465 PolarHBondContact O-N 3.48Å; K461-G465 VanDerWaalsContact O-N 3.15Å; G465-F469 VanDerWaalsContact O-CB 3.27Å; G465-F469 WeakPolarHBondContact O-CB 3.29Å; G465-F469 PolarHBondContact O-N 3.27Å |
| 466 | M | 55.1 | Low | 62.7 | Low | 127 Ų | 127 | 105.2 Ų | 105.2 | 63% | 0.626 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.9 | -41.7 | 175.6 | -164 | -174.6 | -67.6 | 0 | 0 | 112.4 | G462 R463 L464 F469 V470 | G462-M466 WeakPolarHBondContact O-CB 3.26Å; G462-M466 PolarHBondContact O-N 3.26Å; R463-M466 PolarHBondContact O-N 3.16Å; L464-M466 VanDerWaalsContact C-N 3.32Å; L464-M466 PolarHBondContact O-N 3.4Å; M466-F469 PolarHBondContact O-N 3.05Å; M466-V470 WeakPolarHBondContact O-CB 3.36Å; M466-V470 WeakPolarHBondContact O-CG2 3.36Å; M466-V470 PolarHBondContact O-N 2.86Å |
| 467 | L | 57.9 | Low | 62.2 | Low | 91 Ų | 91 | 101.6 Ų | 101.6 | 48% | 0.476 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.9 | -42.9 | 175.2 | -91.2 | 154.4 | 0 | 0 | 0 | 112.5 | R463 L464 F469 V470 C471 | R463-L467 WeakPolarHBondContact O-CB 3.31Å; R463-L467 PolarHBondContact O-N 2.84Å; L464-L467 PolarHBondContact O-N 2.85Å; L467-F469 VanDerWaalsContact C-N 3.34Å; L467-V470 PolarHBondContact O-N 3.11Å; L467-C471 WeakPolarHBondContact O-CB 3.18Å; L467-C471 PolarHBondContact O-N 3.22Å; L467-C471 PolarHBondContact O-SG 2.9Å; L467-C471 VanDerWaalsContact O-SG 3.33Å |
| 468 | L | 62.4 | Low | 62.4 | Low | 105 Ų | 105 | 100.4 Ų | 100.4 | 55% | 0.55 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64 | -40.2 | 174.8 | -80.6 | 163.3 | 0 | 0 | 0 | 111.6 | L464 C471 L472 | L464-L468 HydrophobicContact CG-CD1 4.37Å; L464-L468 WeakPolarHBondContact O-CB 3.4Å; L464-L468 WeakPolarHBondContact O-CG 3.49Å; L464-L468 PolarHBondContact O-N 2.91Å; L468-C471 PolarHBondContact O-N 3.43Å; L468-L472 WeakPolarHBondContact O-CB 3.31Å; L468-L472 PolarHBondContact O-N 3.48Å |
| 469 | F | 63.6 | Low | 63.2 | Low | 142 Ų | 142 | 95.5 Ų | 95.5 | 62% | 0.623 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.3 | -45.6 | 174 | -174.1 | -98.9 | 0 | 0 | 0 | 111.6 | G465 M466 L467 C471 L472 V473 | G465-F469 VanDerWaalsContact O-CB 3.27Å; G465-F469 WeakPolarHBondContact O-CB 3.29Å; G465-F469 PolarHBondContact O-N 3.27Å; M466-F469 PolarHBondContact O-N 3.05Å; L467-F469 VanDerWaalsContact C-N 3.34Å; F469-C471 VanDerWaalsContact C-N 3.35Å; F469-C471 PolarHBondContact O-N 3.49Å; F469-L472 PolarHBondContact O-N 3.13Å; F469-V473 HydrophobicContact CD1-CG2 4.06Å; F469-V473 HydrophobicContact CE1-CG2 3.78Å; F469-V473 HydrophobicContact CE2-CG2 4.46Å; F469-V473 HydrophobicContact CZ-CG2 3.99Å; F469-V473 WeakPolarHBondContact O-CB 3.43Å; F469-V473 VanDerWaalsContact O-CG2 3.24Å; F469-V473 WeakPolarHBondContact O-CG2 3.46Å; F469-V473 PolarHBondContact O-N 2.64Å |
| 470 | V | 68.6 | Low | 64 | Low | 85 Ų | 85 | 95.6 Ų | 95.6 | 52% | 0.515 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 176.2 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | M466 L467 V473 A474 | M466-V470 WeakPolarHBondContact O-CB 3.36Å; M466-V470 WeakPolarHBondContact O-CG2 3.36Å; M466-V470 PolarHBondContact O-N 2.86Å; L467-V470 PolarHBondContact O-N 3.11Å; V470-V473 PolarHBondContact O-N 3.21Å; V470-A474 VanDerWaalsContact O-CB 3.28Å; V470-A474 WeakPolarHBondContact O-CB 3.29Å; V470-A474 PolarHBondContact O-N 2.97Å |
| 471 | C | 71.6 | Confident | 64.7 | Low | 73 Ų | 73 | 97.1 Ų | 97.1 | 49% | 0.493 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 174.6 | -74.2 | 0 | 0 | 0 | 0 | 112.2 | L467 L468 F469 A474 V475 | L467-C471 WeakPolarHBondContact O-CB 3.18Å; L467-C471 PolarHBondContact O-N 3.22Å; L467-C471 PolarHBondContact O-SG 2.9Å; L467-C471 VanDerWaalsContact O-SG 3.33Å; L468-C471 PolarHBondContact O-N 3.43Å; F469-C471 VanDerWaalsContact C-N 3.35Å; F469-C471 PolarHBondContact O-N 3.49Å; C471-A474 PolarHBondContact O-N 2.87Å; C471-V475 WeakPolarHBondContact O-CB 3.48Å; C471-V475 VanDerWaalsContact O-CG2 3.27Å; C471-V475 WeakPolarHBondContact O-CG2 3.3Å; C471-V475 PolarHBondContact O-N 3.24Å |
| 472 | L | 71.6 | Confident | 65.2 | Low | 119 Ų | 119 | 95.9 Ų | 95.9 | 62% | 0.623 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.3 | -43 | 175.2 | -90.1 | 160.1 | 0 | 0 | 0 | 111.9 | L468 F469 V475 A476 | L468-L472 WeakPolarHBondContact O-CB 3.31Å; L468-L472 PolarHBondContact O-N 3.48Å; F469-L472 PolarHBondContact O-N 3.13Å; L472-V475 PolarHBondContact O-N 2.96Å; L472-A476 VanDerWaalsContact O-CB 3.29Å; L472-A476 WeakPolarHBondContact O-CB 3.37Å; L472-A476 PolarHBondContact O-N 3.39Å |
| 473 | V | 69.5 | Low | 65.3 | Low | 76 Ų | 76 | 101.7 Ų | 101.7 | 46% | 0.461 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 175.5 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | F469 V470 A476 A477 | F469-V473 HydrophobicContact CD1-CG2 4.06Å; F469-V473 HydrophobicContact CE1-CG2 3.78Å; F469-V473 HydrophobicContact CE2-CG2 4.46Å; F469-V473 HydrophobicContact CZ-CG2 3.99Å; F469-V473 WeakPolarHBondContact O-CB 3.43Å; F469-V473 VanDerWaalsContact O-CG2 3.24Å; F469-V473 WeakPolarHBondContact O-CG2 3.46Å; F469-V473 PolarHBondContact O-N 2.64Å; V470-V473 PolarHBondContact O-N 3.21Å; V473-A476 PolarHBondContact O-N 3.15Å; V473-A477 VanDerWaalsContact O-CB 3.27Å; V473-A477 WeakPolarHBondContact O-CB 3.34Å; V473-A477 PolarHBondContact O-N 3.05Å |
| 474 | A | 71.5 | Confident | 65.2 | Low | 53 Ų | 53 | 100.5 Ų | 100.5 | 44% | 0.438 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V470 C471 A477 V478 | V470-A474 VanDerWaalsContact O-CB 3.28Å; V470-A474 WeakPolarHBondContact O-CB 3.29Å; V470-A474 PolarHBondContact O-N 2.97Å; C471-A474 PolarHBondContact O-N 2.87Å; A474-A477 PolarHBondContact O-N 3.33Å; A474-V478 VanDerWaalsContact O-CG2 3.31Å; A474-V478 WeakPolarHBondContact O-CG2 3.49Å; A474-V478 PolarHBondContact O-N 3.46Å |
| 475 | V | 75.5 | Confident | 64.9 | Low | 88 Ų | 88 | 100.1 Ų | 100.1 | 53% | 0.533 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.8 | -44.7 | 174.7 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | C471 L472 A477 V478 I479 | C471-V475 WeakPolarHBondContact O-CB 3.48Å; C471-V475 VanDerWaalsContact O-CG2 3.27Å; C471-V475 WeakPolarHBondContact O-CG2 3.3Å; C471-V475 PolarHBondContact O-N 3.24Å; L472-V475 PolarHBondContact O-N 2.96Å; V475-A477 VanDerWaalsContact C-N 3.34Å; V475-A477 PolarHBondContact O-N 3.21Å; V475-V478 PolarHBondContact O-N 3.04Å; V475-I479 HydrophobicContact CG1-CD1 3.92Å; V475-I479 VanDerWaalsContact O-CG1 3.31Å; V475-I479 WeakPolarHBondContact O-CG1 3.45Å; V475-I479 PolarHBondContact O-N 3.05Å |
| 476 | A | 69.4 | Low | 64.5 | Low | 48 Ų | 48 | 103.7 Ų | 103.7 | 40% | 0.397 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.8 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L472 V473 V478 I479 V480 | L472-A476 VanDerWaalsContact O-CB 3.29Å; L472-A476 WeakPolarHBondContact O-CB 3.37Å; L472-A476 PolarHBondContact O-N 3.39Å; V473-A476 PolarHBondContact O-N 3.15Å; A476-V478 PolarHBondContact O-N 3.47Å; A476-I479 PolarHBondContact O-N 3.25Å; A476-V480 VanDerWaalsContact O-CG2 3.31Å; A476-V480 WeakPolarHBondContact O-CG2 3.18Å; A476-V480 PolarHBondContact O-N 3.38Å |
| 477 | A | 69.2 | Low | 63.9 | Low | 57 Ų | 57 | 103 Ų | 103 | 47% | 0.471 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.9 | -38.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V473 A474 V475 K481 | V473-A477 VanDerWaalsContact O-CB 3.27Å; V473-A477 WeakPolarHBondContact O-CB 3.34Å; V473-A477 PolarHBondContact O-N 3.05Å; A474-A477 PolarHBondContact O-N 3.33Å; V475-A477 VanDerWaalsContact C-N 3.34Å; V475-A477 PolarHBondContact O-N 3.21Å; A477-K481 VanDerWaalsContact O-CB 3.26Å; A477-K481 WeakPolarHBondContact O-CB 3.26Å; A477-K481 PolarHBondContact O-N 2.87Å |
| 478 | V | 72.5 | Confident | 63.5 | Low | 94 Ų | 94 | 111.4 Ų | 111.4 | 57% | 0.57 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.7 | -39.9 | 174.3 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | A474 V475 A476 K481 K482 | A474-V478 VanDerWaalsContact O-CG2 3.31Å; A474-V478 WeakPolarHBondContact O-CG2 3.49Å; A474-V478 PolarHBondContact O-N 3.46Å; V475-V478 PolarHBondContact O-N 3.04Å; A476-V478 PolarHBondContact O-N 3.47Å; V478-K481 PolarHBondContact O-N 3.06Å; V478-K482 WeakPolarHBondContact O-CB 3.47Å; V478-K482 PolarHBondContact O-N 2.92Å |
| 479 | I | 71.8 | Confident | 62.7 | Low | 91 Ų | 91 | 109.2 Ų | 109.2 | 47% | 0.467 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.5 | -46.7 | 175.6 | -68.3 | 167.9 | 0 | 0 | 0 | 110.7 | V475 A476 K481 K482 Y483 | V475-I479 HydrophobicContact CG1-CD1 3.92Å; V475-I479 VanDerWaalsContact O-CG1 3.31Å; V475-I479 WeakPolarHBondContact O-CG1 3.45Å; V475-I479 PolarHBondContact O-N 3.05Å; A476-I479 PolarHBondContact O-N 3.25Å; I479-K481 PolarHBondContact O-N 3.34Å; I479-K482 WeakPolarHBondContact O-CB 3.46Å; I479-K482 PolarHBondContact O-N 2.65Å; I479-Y483 HydrophobicContact CG2-CD2 4.11Å; I479-Y483 HydrophobicContact CG2-CE2 4.42Å; I479-Y483 PolarHBondContact O-N 2.87Å |
| 480 | V | 71.6 | Confident | 61.7 | Low | 75 Ų | 75 | 112.3 Ų | 112.3 | 46% | 0.455 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.7 | -42.4 | 177.7 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | A476 K482 Y483 Q484 | A476-V480 VanDerWaalsContact O-CG2 3.31Å; A476-V480 WeakPolarHBondContact O-CG2 3.18Å; A476-V480 PolarHBondContact O-N 3.38Å; V480-K482 VanDerWaalsContact C-N 3.31Å; V480-K482 PolarHBondContact O-N 2.81Å; V480-Y483 PolarHBondContact O-N 2.91Å; V480-Y483 VanDerWaalsContact O-N 3.13Å; V480-Q484 HydrophobicContact CG1-CG 4.39Å; V480-Q484 WeakPolarHBondContact O-CG 3.48Å; V480-Q484 PolarHBondContact O-N 2.93Å |
| 481 | K | 66.4 | Low | 60.6 | Low | 160 Ų | 160 | 113.1 Ų | 113.1 | 70% | 0.696 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.8 | -35 | 176.7 | -161.6 | 174.8 | -174.7 | 179.2 | 0 | 112.1 | A477 V478 I479 A485 | A477-K481 VanDerWaalsContact O-CB 3.26Å; A477-K481 WeakPolarHBondContact O-CB 3.26Å; A477-K481 PolarHBondContact O-N 2.87Å; V478-K481 PolarHBondContact O-N 3.06Å; I479-K481 PolarHBondContact O-N 3.34Å; K481-A485 WeakPolarHBondContact O-CB 3.24Å; K481-A485 PolarHBondContact O-N 2.93Å |
| 482 | K | 61.2 | Low | 59.2 | Low | 161 Ų | 161 | 117.1 Ų | 117.1 | 70% | 0.7 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.2 | -37.6 | 171 | -105.5 | -174.5 | 172.9 | -176.5 | 0 | 112.6 | V478 I479 V480 | V478-K482 WeakPolarHBondContact O-CB 3.47Å; V478-K482 PolarHBondContact O-N 2.92Å; I479-K482 WeakPolarHBondContact O-CB 3.46Å; I479-K482 PolarHBondContact O-N 2.65Å; V480-K482 VanDerWaalsContact C-N 3.31Å; V480-K482 PolarHBondContact O-N 2.81Å |
| 483 | Y | 56.4 | Low | 57.8 | Low | 176 Ų | 176 | 119.9 Ų | 119.9 | 69% | 0.69 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -73 | -32.8 | 177.6 | -100.1 | -91.2 | 0 | 0 | 0 | 113.3 | I479 V480 | I479-Y483 HydrophobicContact CG2-CD2 4.11Å; I479-Y483 HydrophobicContact CG2-CE2 4.42Å; I479-Y483 PolarHBondContact O-N 2.87Å; V480-Y483 PolarHBondContact O-N 2.91Å; V480-Y483 VanDerWaalsContact O-N 3.13Å |
| 484 | Q | 53.3 | Low | 56.4 | Low | 158 Ų | 158 | 121.3 Ų | 121.3 | 74% | 0.738 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -78.6 | -17.6 | 175.6 | -72 | 179.2 | -14.3 | 0 | 0 | 113.5 | V480 L486 | V480-Q484 HydrophobicContact CG1-CG 4.39Å; V480-Q484 WeakPolarHBondContact O-CG 3.48Å; V480-Q484 PolarHBondContact O-N 2.93Å; Q484-L486 VanDerWaalsContact C-N 3.31Å |
| 485 | A | 48.4 | Very low | 54.9 | Low | 81 Ų | 81 | 123.9 Ų | 123.9 | 67% | 0.669 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 2.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K481 | K481-A485 WeakPolarHBondContact O-CB 3.24Å; K481-A485 PolarHBondContact O-N 2.93Å |
| 486 | L | 45.9 | Very low | 53.1 | Low | 117 Ų | 117 | 127.6 Ų | 127.6 | 61% | 0.613 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -81.7 | 124.2 | 171.5 | -90.2 | 133.6 | 0 | 0 | 0 | 109.9 | Q484 R488 | Q484-L486 VanDerWaalsContact C-N 3.31Å; L486-R488 PolarHBondContact O-N 3.44Å |
| 487 | P | 44.6 | Very low | 51.7 | Low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 73% | 0.727 | S | S | * | * | trans | -55.9 | 136.2 | 177.3 | -22.8 | 31.2 | 0 | 0 | 0 | 111.6 | G489 | P487-G489 PolarHBondContact O-N 2.73Š| ||
| 488 | R | 49.2 | Very low | 50.5 | Low | 267 Ų | 267 | 137 Ų | 137 | 100% | 1.008 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -60.9 | 80.9 | 169.9 | -75 | -179.1 | 177.6 | 170.5 | -1.1 | 109.8 | L486 | L486-R488 PolarHBondContact O-N 3.44Š|
| 489 | G | 45.9 | Very low | 48.8 | Very low | 58 Ų | 58 | 141.4 Ų | 141.4 | 60% | 0.598 | 76% | 0.757 | S | S | * | * | trans | -171.1 | 47.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | P487 | P487-G489 PolarHBondContact O-N 2.73Š| ||
| 490 | K | 42.6 | Very low | 47.1 | Very low | 208 Ų | 208 | 148.8 Ų | 148.8 | 90% | 0.904 | 78% | 0.779 | S | S | * | * | trans | -172.3 | 31.2 | 164.8 | -103.4 | 161.4 | -166.6 | -170.3 | 0 | 112.8 | L492 | K490-L492 PolarHBondContact O-N 3.34Š| ||
| 491 | A | 43.5 | Very low | 45.4 | Very low | 101 Ų | 101 | 157.4 Ų | 157.4 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -90.9 | 73.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 492 | L | 44 | Very low | 43.9 | Very low | 157 Ų | 157 | 161.5 Ų | 161.5 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -163.6 | 30.5 | 170.3 | -114.1 | 159.5 | 0 | 0 | 0 | 114.5 | K490 | K490-L492 PolarHBondContact O-N 3.34Š|
| 493 | L | 41.2 | Very low | 42.5 | Very low | 178 Ų | 178 | 166.3 Ų | 166.3 | 93% | 0.932 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -145.5 | 33.2 | 178.9 | -111.3 | 135.6 | 0 | 0 | 0 | 114.5 | ||
| 494 | A | 40.3 | Very low | 41.5 | Very low | 106 Ų | 106 | 162.8 Ų | 162.8 | 88% | 0.876 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -135.5 | 35.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 495 | S | 39.9 | Very low | 40.8 | Very low | 106 Ų | 106 | 160 Ų | 160 | 74% | 0.741 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -130.4 | 18.9 | 175.8 | 69 | 0 | 0 | 0 | 0 | 115.1 | ||
| 496 | L | 37.4 | Very low | 40.4 | Very low | 166 Ų | 166 | 165.1 Ų | 165.1 | 87% | 0.869 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -127.6 | 18.2 | -177.1 | -94 | 163.7 | 0 | 0 | 0 | 116.2 | ||
| 497 | I | 40.2 | Very low | 40.3 | Very low | 169 Ų | 169 | 172 Ų | 172 | 87% | 0.867 | 86% | 0.863 | S | S | * | * | S | Bend | trans | -129.1 | 48.1 | 172.4 | -45.5 | 179.7 | 0 | 0 | 0 | 110.5 | ||
| 498 | V | 44 | Very low | 40.1 | Very low | 135 Ų | 135 | 174.9 Ų | 174.9 | 82% | 0.818 | 87% | 0.869 | S | S | * | * | S | Bend | trans | -142.9 | 59.3 | 163.1 | -171.1 | 0 | 0 | 0 | 0 | 108.6 | ||
| 499 | H | 38.1 | Very low | 39.6 | Very low | 185 Ų | 185 | 170.1 Ų | 170.1 | 86% | 0.856 | 86% | 0.862 | S | S | * | * | S | Bend | trans | -179.1 | 89.5 | 157 | -102.9 | -2.7 | 0 | 0 | 0 | 111 | ||
| 500 | R | 35.7 | Very low | 39.2 | Very low | 247 Ų | 247 | 176.3 Ų | 176.3 | 93% | 0.932 | 88% | 0.877 | S | S | * | * | trans | 168.4 | 99.7 | 143.3 | -100.9 | 176.9 | 172.3 | -171.9 | -1.6 | 109.4 | ||||
| 501 | R | 35.7 | Very low | 39 | Very low | 256 Ų | 256 | 174.4 Ų | 174.4 | 97% | 0.966 | 88% | 0.875 | S | S | * | * | trans | -173.9 | 69.6 | 139.1 | -102 | 171.5 | -176.3 | -167.5 | 1.4 | 108.3 | ||||
| 502 | R | 34.3 | Very low | 38.8 | Very low | 246 Ų | 246 | 179 Ų | 179 | 93% | 0.928 | 88% | 0.877 | S | S | * | * | trans | -103.4 | 132.1 | 150 | -98.9 | -176.7 | 172.9 | 180 | -2.3 | 106.1 | ||||
| 503 | W | 32.7 | Very low | 38.4 | Very low | 261 Ų | 261 | 180.5 Ų | 180.5 | 99% | 0.989 | 88% | 0.881 | S | S | * | * | trans | 84.6 | 126.1 | 154.2 | -107 | 21.6 | 0 | 0 | 0 | 122.8 | ||||
| 504 | S | 34.8 | Very low | 38.2 | Very low | 103 Ų | 103 | 180.6 Ų | 180.6 | 72% | 0.72 | 88% | 0.878 | S | S | * | * | trans | 126.4 | 100.9 | 142.7 | -166.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 505 | S | 37.7 | Very low | 38 | Very low | 99 Ų | 99 | 186.4 Ų | 186.4 | 69% | 0.692 | 88% | 0.878 | S | S | * | * | 98 | 130.8 | 62 | 84.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 506 | K | 40.6 | Very low | 37.9 | Very low | 188 Ų | 188 | 193.1 Ų | 193.1 | 82% | 0.817 | 89% | 0.889 | S | S | * | * | trans | 47.7 | 111.4 | 152.3 | -65.2 | -179.3 | 176.7 | -177.3 | 0 | 118.9 | ||||
| 507 | H | 43.6 | Very low | 37.9 | Very low | 262 Ų | 262 | 195.5 Ų | 195.5 | 100% | 1.213 | 89% | 0.891 | S | S | * | * | -162.3 | 0 | 100 | -99.6 | -61.1 | 0 | 0 | 0 | 110.7 |
Retrieved 507 of 507 residues in 162.1 ms
(Link to these results)