| 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 | 79.9 | Confident | 96.2 | Very high | 167 Ų | 167 | 61.1 Ų | 61.1 | 82% | 0.823 | 30% | 0.299 | S | S | * | . | 0 | 130.1 | 0 | -68.7 | -174.2 | -64.4 | 0 | 0 | 108.3 | Q5 Q6 | M1-Q5 HydrophobicContact CB-CB 4.14Å; M1-Q6 HydrophobicContact CB-CG 3.89Å; M1-Q6 HydrophobicContact CE-CG 4.18Å; M1-Q6 PolarHBondContact O-NE2 3.14Å | |||
| 2 | S | 95.1 | Very high | 96.4 | Very high | 39 Ų | 39 | 60.7 Ų | 60.7 | 27% | 0.273 | 29% | 0.292 | S | S | . | . | trans | -65.3 | 170.5 | 174.7 | 79.9 | 0 | 0 | 0 | 0 | 111.7 | E4 Q5 Q6 | S2-E4 VanDerWaalsContact C-N 3.27Å; S2-E4 WeakPolarHBondContact CB-OE2 3.23Å; S2-E4 PolarHBondContact O-N 3.44Å; S2-E4 PolarHBondContact OG-N 3.05Å; S2-E4 PolarHBondContact OG-OE2 2.83Å; S2-Q5 PolarHBondContact O-N 3.15Å; S2-Q5 WeakPolarHBondContact OG-CG 3.41Å; S2-Q5 PolarHBondContact OG-N 3.47Å; S2-Q6 VanDerWaalsContact O-CG 3.29Å; S2-Q6 WeakPolarHBondContact O-CG 3.18Å; S2-Q6 PolarHBondContact O-N 3.39Å; S2-Q6 VanDerWaalsContact O-N 3.07Å | ||
| 3 | R | 96.2 | Very high | 96.6 | Very high | 112 Ų | 112 | 67.8 Ų | 67.8 | 42% | 0.423 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 177.1 | 178.9 | -176.4 | 171 | 177.8 | -1.1 | 111.2 | Q6 A7 E151 V165 T167 | R3-Q6 PolarHBondContact O-N 3.2Å; R3-A7 WeakPolarHBondContact O-CB 3.28Å; R3-A7 PolarHBondContact O-N 2.69Å; R3-E151 IonicContact CZ-OE1 3.76Å; R3-E151 VanDerWaalsContact CZ-OE1 3.24Å; R3-E151 IonicContact NH1-OE1 2.7Å; R3-E151 PolarHBondContact NH1-OE1 3.02Å; R3-E151 IonicContact NH2-OE1 3.79Å; R3-E151 PolarHBondContact NH2-OE1 3.46Å; R3-V165 PolarHBondContact NH2-O 2.82Å; R3-V165 VanDerWaalsContact NH2-O 3.07Å; R3-T167 PolarHBondContact NH1-OG1 3.11Å |
| 4 | E | 98.2 | Very high | 96.7 | Very high | 18 Ų | 18 | 63.3 Ų | 63.3 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.7 | -49.2 | 179.6 | -57.8 | 68.2 | -141.8 | 0 | 0 | 110.6 | S2 Q6 A7 V8 V166 E172 E175 L176 | S2-E4 VanDerWaalsContact C-N 3.27Å; S2-E4 WeakPolarHBondContact CB-OE2 3.23Å; S2-E4 PolarHBondContact O-N 3.44Å; S2-E4 PolarHBondContact OG-N 3.05Å; S2-E4 PolarHBondContact OG-OE2 2.83Å; E4-Q6 VanDerWaalsContact C-N 3.32Å; E4-Q6 PolarHBondContact O-N 3.43Å; E4-A7 PolarHBondContact O-N 3.41Å; E4-V8 WeakPolarHBondContact O-CG2 3.46Å; E4-V8 PolarHBondContact O-N 3.27Å; E4-V166 HydrophobicContact CG-CG1 4.06Å; E4-E172 HydrophobicContact CG-CB 4.4Å; E4-E172 WeakPolarHBondContact OE1-CG 3.25Å; E4-E175 HydrophobicContact CB-CB 4.36Å; E4-E175 HydrophobicContact CB-CG 3.89Å; E4-E175 HydrophobicContact CG-CB 4.07Å; E4-E175 HydrophobicContact CG-CG 4.07Å; E4-L176 HydrophobicContact CB-CD2 3.74Å; E4-L176 HydrophobicContact CB-CG 3.92Å; E4-L176 HydrophobicContact CG-CD2 4.13Å; E4-L176 HydrophobicContact CG-CG 3.8Å |
| 5 | Q | 98.1 | Very high | 96.9 | Very high | 62 Ų | 62 | 60.9 Ų | 60.9 | 29% | 0.29 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 177.5 | -69.3 | 174.2 | -14.8 | 0 | 0 | 111.5 | M1 S2 A9 E175 | M1-Q5 HydrophobicContact CB-CB 4.14Å; S2-Q5 PolarHBondContact O-N 3.15Å; S2-Q5 WeakPolarHBondContact OG-CG 3.41Å; S2-Q5 PolarHBondContact OG-N 3.47Å; Q5-A9 VanDerWaalsContact O-CB 3.27Å; Q5-A9 WeakPolarHBondContact O-CB 3.29Å; Q5-A9 PolarHBondContact O-N 3.32Å; Q5-E175 WeakPolarHBondContact CG-OE1 3.42Å; Q5-E175 PolarHBondContact NE2-OE1 3.38Å |
| 6 | Q | 98.1 | Very high | 97 | Very high | 87 Ų | 87 | 65.6 Ų | 65.6 | 41% | 0.407 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 177.5 | -69.7 | 176 | 28.9 | 0 | 0 | 112.3 | M1 S2 R3 E4 R10 | M1-Q6 HydrophobicContact CB-CG 3.89Å; M1-Q6 HydrophobicContact CE-CG 4.18Å; M1-Q6 PolarHBondContact O-NE2 3.14Å; S2-Q6 VanDerWaalsContact O-CG 3.29Å; S2-Q6 WeakPolarHBondContact O-CG 3.18Å; S2-Q6 PolarHBondContact O-N 3.39Å; S2-Q6 VanDerWaalsContact O-N 3.07Å; R3-Q6 PolarHBondContact O-N 3.2Å; E4-Q6 VanDerWaalsContact C-N 3.32Å; E4-Q6 PolarHBondContact O-N 3.43Å; Q6-R10 VanDerWaalsContact O-CB 3.24Å; Q6-R10 WeakPolarHBondContact O-CB 3.47Å; Q6-R10 PolarHBondContact O-N 3.1Å |
| 7 | A | 98.2 | Very high | 97.1 | Very high | 9 Ų | 9 | 67 Ų | 67 | 7% | 0.074 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R3 E4 R10 A11 P164 V166 | R3-A7 WeakPolarHBondContact O-CB 3.28Å; R3-A7 PolarHBondContact O-N 2.69Å; E4-A7 PolarHBondContact O-N 3.41Å; A7-R10 PolarHBondContact O-N 2.82Å; A7-A11 WeakPolarHBondContact O-CB 3.16Å; A7-A11 PolarHBondContact O-N 2.86Å; A7-P164 HydrophobicContact CB-CB 4.26Å; A7-P164 HydrophobicContact CB-CG 4.21Å; A7-V166 HydrophobicContact CB-CG2 3.57Å |
| 8 | V | 98.7 | Very high | 97.1 | Very high | 8 Ų | 8 | 64.2 Ų | 64.2 | 5% | 0.048 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 177.7 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | E4 R10 A11 R12 L107 V136 L176 Q179 F181 | E4-V8 WeakPolarHBondContact O-CG2 3.46Å; E4-V8 PolarHBondContact O-N 3.27Å; V8-R10 VanDerWaalsContact C-N 3.32Å; V8-R10 PolarHBondContact O-N 3.05Å; V8-A11 PolarHBondContact O-N 2.99Å; V8-R12 WeakPolarHBondContact O-CB 3.49Å; V8-R12 PolarHBondContact O-N 3.09Å; V8-L107 HydrophobicContact CB-CD2 4.43Å; V8-L107 HydrophobicContact CG1-CD2 3.74Å; V8-V136 HydrophobicContact CG2-CG2 4.16Å; V8-L176 HydrophobicContact CG2-CD2 4.09Å; V8-Q179 HydrophobicContact CB-CB 4.4Å; V8-Q179 HydrophobicContact CB-CG 4.36Å; V8-Q179 HydrophobicContact CG1-CB 4.01Å; V8-Q179 HydrophobicContact CG1-CG 4.47Å; V8-Q179 HydrophobicContact CG2-CB 4.05Å; V8-Q179 HydrophobicContact CG2-CG 3.98Å; V8-F181 HydrophobicContact CG2-CE1 4.06Å; V8-F181 HydrophobicContact CG2-CE2 4.22Å; V8-F181 HydrophobicContact CG2-CZ 3.48Å; V8-F181 VanDerWaalsContact CG2-CZ 3.48Å |
| 9 | A | 98.5 | Very high | 97.2 | Very high | 51 Ų | 51 | 64.6 Ų | 64.6 | 42% | 0.421 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q5 K13 | Q5-A9 VanDerWaalsContact O-CB 3.27Å; Q5-A9 WeakPolarHBondContact O-CB 3.29Å; Q5-A9 PolarHBondContact O-N 3.32Å; A9-K13 WeakPolarHBondContact O-CB 3.27Å; A9-K13 PolarHBondContact O-N 3.2Å |
| 10 | R | 98.3 | Very high | 97.3 | Very high | 119 Ų | 119 | 61.4 Ų | 61.4 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.2 | -48.3 | 177.1 | -175.3 | -176.9 | -61.2 | 167.7 | 2 | 111.6 | Q6 A7 V8 K13 A14 E161 | Q6-R10 VanDerWaalsContact O-CB 3.24Å; Q6-R10 WeakPolarHBondContact O-CB 3.47Å; Q6-R10 PolarHBondContact O-N 3.1Å; A7-R10 PolarHBondContact O-N 2.82Å; V8-R10 VanDerWaalsContact C-N 3.32Å; V8-R10 PolarHBondContact O-N 3.05Å; R10-K13 PolarHBondContact O-N 3.42Å; R10-A14 WeakPolarHBondContact O-CB 3.38Å; R10-A14 PolarHBondContact O-N 3.1Å; R10-E161 HydrophobicContact CG-CB 3.97Å; R10-E161 HydrophobicContact CG-CG 4.33Å |
| 11 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.4 | -39.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A7 V8 A14 F15 L107 A134 V136 E161 P164 | A7-A11 WeakPolarHBondContact O-CB 3.16Å; A7-A11 PolarHBondContact O-N 2.86Å; V8-A11 PolarHBondContact O-N 2.99Å; A11-A14 PolarHBondContact O-N 3Å; A11-F15 WeakPolarHBondContact O-CB 3.49Å; A11-F15 PolarHBondContact O-N 2.9Å; A11-L107 HydrophobicContact CB-CD1 3.44Å; A11-L107 VanDerWaalsContact CB-CD1 3.44Å; A11-L107 HydrophobicContact CB-CD2 4.49Å; A11-A134 HydrophobicContact CB-CB 4.36Å; A11-V136 HydrophobicContact CB-CG2 4.43Å; A11-E161 WeakPolarHBondContact CA-O 3.4Å; A11-E161 WeakPolarHBondContact CB-O 3.3Å; A11-P164 HydrophobicContact CB-CG 4.05Å |
| 12 | R | 98.8 | Very high | 98.2 | Very high | 56 Ų | 56 | 60 Ų | 60 | 21% | 0.211 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 174 | -172.6 | 164.9 | -63.1 | -71.9 | -2.9 | 111.7 | V8 A14 F15 E16 R180 D182 | V8-R12 WeakPolarHBondContact O-CB 3.49Å; V8-R12 PolarHBondContact O-N 3.09Å; R12-A14 VanDerWaalsContact C-N 3.3Å; R12-A14 PolarHBondContact O-N 2.83Å; R12-F15 WeakPolarHBondContact O-CB 3.28Å; R12-F15 PolarHBondContact O-N 3.35Å; R12-E16 WeakPolarHBondContact O-CG 3.43Å; R12-E16 PolarHBondContact O-N 2.82Å; R12-R180 PolarHBondContact NH2-O 2.92Å; R12-D182 IonicContact CZ-OD2 2.82Å; R12-D182 IonicContact NH1-OD1 3.36Å; R12-D182 IonicContact NH1-OD2 2.71Å; R12-D182 PolarHBondContact NH1-OD2 3.17Å; R12-D182 IonicContact NH2-OD2 2.67Å; R12-D182 PolarHBondContact NH2-OD2 2.94Å; R12-D182 VanDerWaalsContact NH2-OD2 3.16Å |
| 13 | K | 98.6 | Very high | 98.4 | Very high | 153 Ų | 153 | 60.3 Ų | 60.3 | 67% | 0.665 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59.5 | -41.2 | 175.9 | -176 | 177.2 | 179.8 | -179.2 | 0 | 111.9 | A9 R10 E16 T17 | A9-K13 WeakPolarHBondContact O-CB 3.27Å; A9-K13 PolarHBondContact O-N 3.2Å; R10-K13 PolarHBondContact O-N 3.42Å; K13-E16 PolarHBondContact O-N 2.63Å; K13-T17 WeakPolarHBondContact O-CG2 3.42Å; K13-T17 PolarHBondContact O-N 3.26Å |
| 14 | A | 98.7 | Very high | 98.5 | Very high | 5 Ų | 5 | 61.1 Ų | 61.1 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65 | -41.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R10 A11 R12 T17 E161 L162 | R10-A14 WeakPolarHBondContact O-CB 3.38Å; R10-A14 PolarHBondContact O-N 3.1Å; A11-A14 PolarHBondContact O-N 3Å; R12-A14 VanDerWaalsContact C-N 3.3Å; R12-A14 PolarHBondContact O-N 2.83Å; A14-T17 WeakPolarHBondContact O-CB 3.43Å; A14-T17 PolarHBondContact O-N 3.01Å; A14-T17 PolarHBondContact O-OG1 2.86Å; A14-E161 HydrophobicContact CB-CB 3.87Å; A14-L162 HydrophobicContact CB-CD2 3.7Å; A14-L162 HydrophobicContact CB-CG 3.96Å |
| 15 | F | 98.8 | Very high | 98.5 | Very high | 27 Ų | 27 | 62.3 Ų | 62.3 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 174.4 | 177.1 | -102.5 | 0 | 0 | 0 | 112.2 | A11 R12 T17 G18 P104 G106 A134 L162 | A11-F15 WeakPolarHBondContact O-CB 3.49Å; A11-F15 PolarHBondContact O-N 2.9Å; R12-F15 WeakPolarHBondContact O-CB 3.28Å; R12-F15 PolarHBondContact O-N 3.35Å; F15-T17 PolarHBondContact O-N 3.49Å; F15-G18 PolarHBondContact O-N 3.05Å; F15-P104 HydrophobicContact CE2-CB 3.92Å; F15-P104 HydrophobicContact CE2-CG 4.02Å; F15-P104 HydrophobicContact CZ-CB 4.18Å; F15-P104 HydrophobicContact CZ-CG 4.07Å; F15-G106 VanDerWaalsContact CZ-CA 3.49Å; F15-A134 HydrophobicContact CB-CB 3.91Å; F15-L162 HydrophobicContact CB-CD2 4.38Å |
| 16 | E | 98.7 | Very high | 98.6 | Very high | 137 Ų | 137 | 60.2 Ų | 60.2 | 64% | 0.64 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.6 | -22.4 | -179.3 | -73.6 | 168.3 | 179.8 | 0 | 0 | 113.5 | R12 K13 G18 | R12-E16 WeakPolarHBondContact O-CG 3.43Å; R12-E16 PolarHBondContact O-N 2.82Å; K13-E16 PolarHBondContact O-N 2.63Å; E16-G18 PolarHBondContact O-N 3.23Å |
| 17 | T | 98.6 | Very high | 98.6 | Very high | 89 Ų | 89 | 58.2 Ų | 58.2 | 55% | 0.546 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19.8 | 170.9 | 72.2 | 0 | 0 | 0 | 0 | 113.1 | K13 A14 F15 R19 | K13-T17 WeakPolarHBondContact O-CG2 3.42Å; K13-T17 PolarHBondContact O-N 3.26Å; A14-T17 WeakPolarHBondContact O-CB 3.43Å; A14-T17 PolarHBondContact O-N 3.01Å; A14-T17 PolarHBondContact O-OG1 2.86Å; F15-T17 PolarHBondContact O-N 3.49Å; T17-R19 VanDerWaalsContact C-N 3.26Å; T17-R19 PolarHBondContact O-N 2.92Å; T17-R19 WeakPolarHBondContact OG1-CG 3.1Å; T17-R19 PolarHBondContact OG1-N 3.37Å |
| 18 | G | 98.4 | Very high | 98.6 | Very high | 17 Ų | 17 | 62.1 Ų | 62.1 | 18% | 0.175 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 3.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | F15 E16 S20 R21 | F15-G18 PolarHBondContact O-N 3.05Å; E16-G18 PolarHBondContact O-N 3.23Å; G18-S20 PolarHBondContact O-N 3.26Å; G18-R21 VanDerWaalsContact O-CB 3.23Å; G18-R21 WeakPolarHBondContact O-CB 3.3Å; G18-R21 WeakPolarHBondContact O-CG 3.47Å; G18-R21 PolarHBondContact O-N 3.31Å |
| 19 | R | 98.1 | Very high | 98.7 | Very high | 72 Ų | 72 | 62.3 Ų | 62.3 | 27% | 0.272 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -20.9 | -176.1 | 77.1 | -176.4 | -176.9 | -153.5 | -3.7 | 114.6 | T17 R21 P22 Y25 D159 E161 L162 | T17-R19 VanDerWaalsContact C-N 3.26Å; T17-R19 PolarHBondContact O-N 2.92Å; T17-R19 WeakPolarHBondContact OG1-CG 3.1Å; T17-R19 PolarHBondContact OG1-N 3.37Å; R19-R21 VanDerWaalsContact C-N 3.33Å; R19-P22 WeakPolarHBondContact O-CD 3.46Å; R19-Y25 WeakPolarHBondContact O-CB 3.22Å; R19-Y25 VanDerWaalsContact O-CD1 3.31Å; R19-Y25 WeakPolarHBondContact O-CD1 3.5Å; R19-D159 IonicContact CZ-OD1 2.8Å; R19-D159 IonicContact CZ-OD2 3.69Å; R19-D159 IonicContact NE-OD2 2.93Å; R19-D159 PolarHBondContact NE-OD2 2.79Å; R19-D159 IonicContact NH1-OD2 3.16Å; R19-D159 IonicContact NH2-OD1 3.93Å; R19-D159 PolarHBondContact NH2-OD1 3.34Å; R19-D159 IonicContact NH2-OD2 2.62Å; R19-D159 PolarHBondContact NH2-OD2 3.31Å; R19-E161 IonicContact CZ-OE2 2.87Å; R19-E161 IonicContact NH1-OE2 3.54Å; R19-E161 PolarHBondContact NH1-OE2 3.34Å; R19-E161 IonicContact NH2-OE2 3.83Å; R19-E161 PolarHBondContact NH2-OE2 2.99Å; R19-L162 HydrophobicContact CG-CD1 4.13Å |
| 20 | S | 98.4 | Very high | 98.7 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -8.2 | 172.9 | 64.9 | 0 | 0 | 0 | 0 | 113.8 | G18 R26 G132 | G18-S20 PolarHBondContact O-N 3.26Å; S20-R26 WeakPolarHBondContact O-CG 3.46Å; S20-R26 PolarHBondContact O-NE 3.19Å; S20-G132 WeakPolarHBondContact CB-O 3.32Å; S20-G132 PolarHBondContact OG-O 2.93Å |
| 21 | R | 98.4 | Very high | 98.7 | Very high | 138 Ų | 138 | 59.4 Ų | 59.4 | 52% | 0.521 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -68.5 | -47 | -178.3 | -65.9 | 179.3 | 175.8 | -85.4 | -2.7 | 113.3 | G18 R19 R26 | G18-R21 VanDerWaalsContact O-CB 3.23Å; G18-R21 WeakPolarHBondContact O-CB 3.3Å; G18-R21 WeakPolarHBondContact O-CG 3.47Å; G18-R21 PolarHBondContact O-N 3.31Å; R19-R21 VanDerWaalsContact C-N 3.33Å; R21-R26 PolarHBondContact O-NE 3.4Å; R21-R26 PolarHBondContact O-NH2 2.95Å |
| 22 | P | 98.8 | Very high | 98.7 | Very high | 62 Ų | 62 | 60.9 Ų | 60.9 | 40% | 0.403 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -61 | 137.7 | 179.6 | -22.8 | 35.2 | 0 | 0 | 0 | 112.1 | R19 E24 Y25 R26 | R19-P22 WeakPolarHBondContact O-CD 3.46Å; P22-E24 VanDerWaalsContact C-N 3.27Å; P22-E24 PolarHBondContact O-N 3.02Å; P22-Y25 PolarHBondContact O-N 3.03Å; P22-R26 PolarHBondContact O-N 3.23Å |
| 23 | L | 98.8 | Very high | 98.7 | Very high | 44 Ų | 44 | 58.2 Ų | 58.2 | 23% | 0.23 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.2 | -33.4 | -178.1 | -61.7 | -176.5 | 0 | 0 | 0 | 111.7 | Y25 R26 I27 L78 A82 | L23-Y25 VanDerWaalsContact C-N 3.31Å; L23-Y25 PolarHBondContact O-N 2.76Å; L23-R26 PolarHBondContact O-N 3.16Å; L23-I27 WeakPolarHBondContact O-CG1 2.9Å; L23-I27 PolarHBondContact O-N 3.47Å; L23-L78 HydrophobicContact CB-CD2 4.29Å; L23-L78 HydrophobicContact CD2-CD1 4.27Å; L23-L78 HydrophobicContact CD2-CD2 4.23Å; L23-L78 HydrophobicContact CD2-CG 4.04Å; L23-A82 HydrophobicContact CD1-CB 4.24Å; L23-A82 HydrophobicContact CD2-CB 3.71Å |
| 24 | E | 98.8 | Very high | 98.7 | Very high | 130 Ų | 130 | 52.8 Ų | 52.8 | 61% | 0.607 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -60.6 | -42.5 | 178.8 | -62.2 | 71.6 | -155.9 | 0 | 0 | 110.9 | P22 I27 I28 | P22-E24 VanDerWaalsContact C-N 3.27Å; P22-E24 PolarHBondContact O-N 3.02Å; E24-I27 PolarHBondContact O-N 3.36Å; E24-I28 WeakPolarHBondContact O-CG1 3.4Å; E24-I28 PolarHBondContact O-N 3.11Å |
| 25 | Y | 98.8 | Very high | 98.7 | Very high | 43 Ų | 43 | 57.7 Ų | 57.7 | 17% | 0.169 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 176.8 | -178.5 | -87.8 | 0 | 0 | 0 | 111.2 | R19 P22 L23 I27 I28 Q29 D159 L162 | R19-Y25 WeakPolarHBondContact O-CB 3.22Å; R19-Y25 VanDerWaalsContact O-CD1 3.31Å; R19-Y25 WeakPolarHBondContact O-CD1 3.5Å; P22-Y25 PolarHBondContact O-N 3.03Å; L23-Y25 VanDerWaalsContact C-N 3.31Å; L23-Y25 PolarHBondContact O-N 2.76Å; Y25-I27 VanDerWaalsContact C-N 3.33Å; Y25-I27 PolarHBondContact O-N 2.94Å; Y25-I28 WeakPolarHBondContact O-CB 3.33Å; Y25-I28 PolarHBondContact O-N 2.76Å; Y25-Q29 HydrophobicContact CD1-CG 4.07Å; Y25-Q29 HydrophobicContact CE1-CG 3.62Å; Y25-Q29 WeakPolarHBondContact O-CG 3.48Å; Y25-Q29 PolarHBondContact O-N 3.05Å; Y25-Q29 VanDerWaalsContact O-N 3.1Å; Y25-Q29 PolarHBondContact OH-NE2 2.86Å; Y25-D159 WeakPolarHBondContact OH-CB 3.44Å; Y25-D159 PolarHBondContact OH-OD2 3.03Å; Y25-L162 HydrophobicContact CE1-CD1 3.67Å; Y25-L162 VanDerWaalsContact OH-CD1 3.29Å; Y25-L162 WeakPolarHBondContact OH-CD1 3.46Å |
| 26 | R | 98.8 | Very high | 98.7 | Very high | 18 Ų | 18 | 56.4 Ų | 56.4 | 7% | 0.068 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 177.4 | -55.4 | 179.3 | -159 | -169.2 | 2.4 | 111.5 | S20 R21 P22 L23 I28 Q29 L30 L78 I129 A130 A131 | S20-R26 WeakPolarHBondContact O-CG 3.46Å; S20-R26 PolarHBondContact O-NE 3.19Å; R21-R26 PolarHBondContact O-NE 3.4Å; R21-R26 PolarHBondContact O-NH2 2.95Å; P22-R26 PolarHBondContact O-N 3.23Å; L23-R26 PolarHBondContact O-N 3.16Å; R26-I28 VanDerWaalsContact C-N 3.33Å; R26-I28 PolarHBondContact O-N 3.12Å; R26-Q29 PolarHBondContact O-N 3.44Å; R26-L30 WeakPolarHBondContact O-CG 3.41Å; R26-L30 PolarHBondContact O-N 2.89Å; R26-L78 HydrophobicContact CB-CD2 3.91Å; R26-I129 WeakPolarHBondContact CD-O 3.47Å; R26-I129 WeakPolarHBondContact CG-O 3.37Å; R26-A130 WeakPolarHBondContact CD-O 3.25Å; R26-A130 PolarHBondContact NH1-O 3.28Å; R26-A131 PolarHBondContact NH1-O 3.45Å |
| 27 | I | 98.9 | Very high | 98.7 | Very high | 44 Ų | 44 | 50 Ų | 50 | 23% | 0.226 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 176.3 | -68.8 | 168.2 | 0 | 0 | 0 | 111.2 | L23 E24 Y25 Q29 L30 K31 I75 L78 | L23-I27 WeakPolarHBondContact O-CG1 2.9Å; L23-I27 PolarHBondContact O-N 3.47Å; E24-I27 PolarHBondContact O-N 3.36Å; Y25-I27 VanDerWaalsContact C-N 3.33Å; Y25-I27 PolarHBondContact O-N 2.94Å; I27-Q29 VanDerWaalsContact C-N 3.35Å; I27-L30 PolarHBondContact O-N 2.87Å; I27-K31 HydrophobicContact CG2-CD 4.1Å; I27-K31 HydrophobicContact CG2-CG 4.38Å; I27-K31 WeakPolarHBondContact O-CG 3.49Å; I27-K31 PolarHBondContact O-N 3.15Å; I27-I75 HydrophobicContact CG2-CG1 4.47Å; I27-I75 HydrophobicContact CG2-CG2 4.2Å; I27-L78 HydrophobicContact CD1-CD2 4.36Å; I27-L78 HydrophobicContact CG1-CD2 3.79Å |
| 28 | I | 98.9 | Very high | 98.6 | Very high | 91 Ų | 91 | 50.7 Ų | 50.7 | 47% | 0.467 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.9 | -45.4 | 177 | -69.8 | 164 | 0 | 0 | 0 | 110.7 | E24 Y25 R26 L30 K31 N32 | E24-I28 WeakPolarHBondContact O-CG1 3.4Å; E24-I28 PolarHBondContact O-N 3.11Å; Y25-I28 WeakPolarHBondContact O-CB 3.33Å; Y25-I28 PolarHBondContact O-N 2.76Å; R26-I28 VanDerWaalsContact C-N 3.33Å; R26-I28 PolarHBondContact O-N 3.12Å; I28-L30 PolarHBondContact O-N 3.41Å; I28-K31 PolarHBondContact O-N 3.37Å; I28-N32 VanDerWaalsContact O-CG 3.32Å; I28-N32 PolarHBondContact O-N 3.31Å |
| 29 | Q | 98.9 | Very high | 98.6 | Very high | 12 Ų | 12 | 54.1 Ų | 54.1 | 6% | 0.056 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.8 | -43.7 | 177.9 | -61.7 | -57.2 | -47.8 | 0 | 0 | 111.8 | Y25 R26 I27 K31 N32 L33 I129 I158 Y163 | Y25-Q29 HydrophobicContact CD1-CG 4.07Å; Y25-Q29 HydrophobicContact CE1-CG 3.62Å; Y25-Q29 WeakPolarHBondContact O-CG 3.48Å; Y25-Q29 PolarHBondContact O-N 3.05Å; Y25-Q29 VanDerWaalsContact O-N 3.1Å; Y25-Q29 PolarHBondContact OH-NE2 2.86Å; R26-Q29 PolarHBondContact O-N 3.44Å; I27-Q29 VanDerWaalsContact C-N 3.35Å; Q29-K31 PolarHBondContact O-N 3.23Å; Q29-N32 PolarHBondContact O-N 3.25Å; Q29-L33 PolarHBondContact O-N 3.19Å; Q29-I129 HydrophobicContact CB-CG2 3.74Å; Q29-I158 VanDerWaalsContact OE1-CA 3.32Å; Q29-Y163 HydrophobicContact CB-CE2 4.39Å; Q29-Y163 HydrophobicContact CG-CE2 3.94Å |
| 30 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 176.4 | -70 | 172.9 | 0 | 0 | 0 | 112.4 | R26 I27 I28 L33 Q34 I71 A74 I75 I126 I129 | R26-L30 WeakPolarHBondContact O-CG 3.41Å; R26-L30 PolarHBondContact O-N 2.89Å; I27-L30 PolarHBondContact O-N 2.87Å; I28-L30 PolarHBondContact O-N 3.41Å; L30-L33 WeakPolarHBondContact O-CB 3.47Å; L30-L33 PolarHBondContact O-N 3.04Å; L30-Q34 PolarHBondContact O-N 2.95Å; L30-I71 HydrophobicContact CB-CG2 4.17Å; L30-I71 WeakPolarHBondContact O-CG2 3.27Å; L30-A74 HydrophobicContact CD1-CB 3.97Å; L30-I75 HydrophobicContact CB-CD1 4.07Å; L30-I75 HydrophobicContact CB-CG1 3.89Å; L30-I75 HydrophobicContact CD1-CG1 4.05Å; L30-I126 HydrophobicContact CD2-CB 4.41Å; L30-I126 HydrophobicContact CD2-CG2 3.93Å; L30-I129 HydrophobicContact CD2-CB 4.18Å; L30-I129 HydrophobicContact CD2-CG2 3.92Å; L30-I129 HydrophobicContact CG-CG2 3.84Å |
| 31 | K | 98.9 | Very high | 98.6 | Very high | 109 Ų | 109 | 57.6 Ų | 57.6 | 47% | 0.474 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.3 | -37.3 | 175.5 | -74.5 | -179.9 | 174.8 | -176.3 | 0 | 112.6 | I27 I28 Q29 L33 Q34 R35 I75 | I27-K31 HydrophobicContact CG2-CD 4.1Å; I27-K31 HydrophobicContact CG2-CG 4.38Å; I27-K31 WeakPolarHBondContact O-CG 3.49Å; I27-K31 PolarHBondContact O-N 3.15Å; I28-K31 PolarHBondContact O-N 3.37Å; Q29-K31 PolarHBondContact O-N 3.23Å; K31-L33 VanDerWaalsContact C-N 3.33Å; K31-Q34 PolarHBondContact O-N 3.42Å; K31-R35 PolarHBondContact O-N 2.86Å; K31-I75 HydrophobicContact CG-CD1 3.73Å |
| 32 | N | 98.9 | Very high | 98.6 | Very high | 32 Ų | 32 | 55.9 Ų | 55.9 | 17% | 0.171 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.1 | -36.3 | 175.3 | -70.9 | -10 | 0 | 0 | 0 | 111.8 | I28 Q29 Q34 R35 L36 Y157 I158 | I28-N32 VanDerWaalsContact O-CG 3.32Å; I28-N32 PolarHBondContact O-N 3.31Å; Q29-N32 PolarHBondContact O-N 3.25Å; N32-Q34 VanDerWaalsContact C-N 3.35Å; N32-R35 WeakPolarHBondContact O-CB 3.47Å; N32-R35 PolarHBondContact O-N 3.26Å; N32-R35 PolarHBondContact OD1-NH1 2.94Å; N32-L36 PolarHBondContact O-N 3.08Å; N32-Y157 WeakPolarHBondContact CB-O 3.36Å; N32-Y157 PolarHBondContact ND2-O 3.04Å; N32-Y157 WeakPolarHBondContact O-CD1 3.49Å; N32-I158 HydrophobicContact CB-CG2 4.38Å |
| 33 | L | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65 | -39 | 173.2 | -172.4 | 61.2 | 0 | 0 | 0 | 111.7 | Q29 L30 K31 L36 F37 I71 I122 I126 I129 L154 I158 | Q29-L33 PolarHBondContact O-N 3.19Å; L30-L33 WeakPolarHBondContact O-CB 3.47Å; L30-L33 PolarHBondContact O-N 3.04Å; K31-L33 VanDerWaalsContact C-N 3.33Å; L33-L36 WeakPolarHBondContact O-CB 3.37Å; L33-L36 PolarHBondContact O-N 3.21Å; L33-F37 HydrophobicContact CD1-CE2 4.26Å; L33-F37 HydrophobicContact CD1-CZ 4.39Å; L33-F37 HydrophobicContact CG-CE2 3.97Å; L33-F37 VanDerWaalsContact O-CD2 3.28Å; L33-F37 WeakPolarHBondContact O-CD2 3.38Å; L33-F37 PolarHBondContact O-N 2.65Å; L33-I71 HydrophobicContact CB-CD1 4.23Å; L33-I71 HydrophobicContact CD2-CD1 4.1Å; L33-I71 HydrophobicContact CG-CD1 3.98Å; L33-I122 HydrophobicContact CD1-CG2 4.21Å; L33-I122 HydrophobicContact CD2-CG2 3.69Å; L33-I122 HydrophobicContact CG-CG2 4.28Å; L33-I126 HydrophobicContact CD2-CG1 3.78Å; L33-I129 HydrophobicContact CD2-CD1 4.41Å; L33-L154 HydrophobicContact CD1-CD2 3.84Å; L33-I158 HydrophobicContact CB-CG2 4.14Å |
| 34 | Q | 98.6 | Very high | 98.6 | Very high | 38 Ų | 38 | 54.6 Ų | 54.6 | 18% | 0.178 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 171.7 | -179.8 | 169.1 | 55.3 | 0 | 0 | 112 | L30 K31 N32 L36 F37 I38 I71 N72 | L30-Q34 PolarHBondContact O-N 2.95Å; K31-Q34 PolarHBondContact O-N 3.42Å; N32-Q34 VanDerWaalsContact C-N 3.35Å; Q34-L36 VanDerWaalsContact C-N 3.28Å; Q34-L36 PolarHBondContact O-N 2.79Å; Q34-F37 PolarHBondContact O-N 2.79Å; Q34-I38 HydrophobicContact CG-CD1 3.99Å; Q34-I38 WeakPolarHBondContact O-CG1 3.47Å; Q34-I38 PolarHBondContact O-N 2.86Å; Q34-I71 HydrophobicContact CB-CD1 4.26Å; Q34-I71 HydrophobicContact CB-CG2 4.06Å; Q34-N72 PolarHBondContact NE2-ND2 2.84Å; Q34-N72 PolarHBondContact NE2-OD1 2.84Å |
| 35 | R | 98.7 | Very high | 98.5 | Very high | 109 Ų | 109 | 48.5 Ų | 48.5 | 41% | 0.411 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.7 | -38.2 | 174 | -83.4 | 173.6 | 44.7 | -141 | -13.4 | 112.8 | K31 N32 F37 I38 E39 Y157 | K31-R35 PolarHBondContact O-N 2.86Å; N32-R35 WeakPolarHBondContact O-CB 3.47Å; N32-R35 PolarHBondContact O-N 3.26Å; N32-R35 PolarHBondContact OD1-NH1 2.94Å; R35-F37 VanDerWaalsContact C-N 3.32Å; R35-F37 PolarHBondContact O-N 2.96Å; R35-I38 PolarHBondContact O-N 3.39Å; R35-E39 IonicContact CZ-OE1 2.69Å; R35-E39 IonicContact NE-OE1 2.91Å; R35-E39 PolarHBondContact NE-OE1 3.03Å; R35-E39 IonicContact NH2-OE1 2.7Å; R35-E39 VanDerWaalsContact O-CB 3.25Å; R35-E39 WeakPolarHBondContact O-CB 3.21Å; R35-E39 VanDerWaalsContact O-CG 3.28Å; R35-E39 WeakPolarHBondContact O-CG 3.3Å; R35-E39 PolarHBondContact O-N 3.33Å; R35-Y157 HydrophobicContact CB-CD1 4.14Å; R35-Y157 HydrophobicContact CB-CE1 4.11Å |
| 36 | L | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.8 | -46.7 | 175 | 175.5 | 151.6 | 0 | 0 | 0 | 111 | N32 L33 Q34 I38 R40 I44 W118 L153 L154 Y157 | N32-L36 PolarHBondContact O-N 3.08Å; L33-L36 WeakPolarHBondContact O-CB 3.37Å; L33-L36 PolarHBondContact O-N 3.21Å; Q34-L36 VanDerWaalsContact C-N 3.28Å; Q34-L36 PolarHBondContact O-N 2.79Å; L36-I38 VanDerWaalsContact C-N 3.33Å; L36-I38 PolarHBondContact O-N 2.73Å; L36-R40 VanDerWaalsContact O-CB 3.29Å; L36-R40 WeakPolarHBondContact O-CB 3.37Å; L36-R40 PolarHBondContact O-N 3.42Å; L36-I44 HydrophobicContact CD2-CD1 3.88Å; L36-W118 HydrophobicContact CD2-CH2 4.1Å; L36-W118 HydrophobicContact CD2-CZ3 3.9Å; L36-L153 HydrophobicContact CD1-CB 3.98Å; L36-L154 HydrophobicContact CD1-CD2 4Å; L36-L154 HydrophobicContact CD1-CG 4.46Å; L36-Y157 HydrophobicContact CB-CD1 3.85Å; L36-Y157 HydrophobicContact CB-CD2 3.92Å; L36-Y157 HydrophobicContact CB-CE1 4.2Å; L36-Y157 HydrophobicContact CB-CE2 4.27Å; L36-Y157 HydrophobicContact CB-CG 3.71Å; L36-Y157 HydrophobicContact CD1-CD2 3.77Å; L36-Y157 HydrophobicContact CD1-CE2 4.4Å; L36-Y157 HydrophobicContact CD1-CG 4.15Å; L36-Y157 HydrophobicContact CG-CD2 4.11Å; L36-Y157 HydrophobicContact CG-CE2 4.36Å; L36-Y157 HydrophobicContact CG-CG 4.38Å |
| 37 | F | 98.1 | Very high | 98.5 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.5 | -37.8 | -178.9 | -66.4 | -53.2 | 0 | 0 | 0 | 112.9 | L33 Q34 R35 E41 I44 T64 L67 E68 I71 W118 I122 | L33-F37 HydrophobicContact CD1-CE2 4.26Å; L33-F37 HydrophobicContact CD1-CZ 4.39Å; L33-F37 HydrophobicContact CG-CE2 3.97Å; L33-F37 VanDerWaalsContact O-CD2 3.28Å; L33-F37 WeakPolarHBondContact O-CD2 3.38Å; L33-F37 PolarHBondContact O-N 2.65Å; Q34-F37 PolarHBondContact O-N 2.79Å; R35-F37 VanDerWaalsContact C-N 3.32Å; R35-F37 PolarHBondContact O-N 2.96Å; F37-E41 PolarHBondContact O-N 2.95Å; F37-I44 HydrophobicContact CD1-CD1 3.8Å; F37-I44 HydrophobicContact CE1-CD1 4.32Å; F37-T64 HydrophobicContact CD1-CG2 3.85Å; F37-T64 HydrophobicContact CE1-CG2 4.26Å; F37-L67 HydrophobicContact CE1-CD1 3.96Å; F37-L67 HydrophobicContact CE2-CB 3.91Å; F37-L67 HydrophobicContact CE2-CD1 4.12Å; F37-L67 HydrophobicContact CZ-CB 4.17Å; F37-L67 HydrophobicContact CZ-CD1 3.5Å; F37-L67 VanDerWaalsContact CZ-CD1 3.5Å; F37-L67 HydrophobicContact CZ-CG 4.47Å; F37-E68 HydrophobicContact CB-CG 4.35Å; F37-E68 HydrophobicContact CD2-CG 4.5Å; F37-I71 HydrophobicContact CD2-CD1 4.05Å; F37-I71 HydrophobicContact CE2-CD1 3.87Å; F37-W118 HydrophobicContact CE1-CD2 4.41Å; F37-W118 AromaticContact CE1-CE3 3.64Å; F37-W118 HydrophobicContact CE1-CE3 3.64Å; F37-W118 AromaticContact CE1-CZ3 4Å; F37-W118 HydrophobicContact CE1-CZ3 4Å; F37-W118 HydrophobicContact CZ-CE3 4.2Å; F37-I122 HydrophobicContact CE2-CG2 4.24Å; F37-I122 HydrophobicContact CZ-CB 4.33Å; F37-I122 HydrophobicContact CZ-CG1 4.3Å; F37-I122 HydrophobicContact CZ-CG2 3.83Å |
| 38 | I | 97.1 | Very high | 98.5 | Very high | 103 Ų | 103 | 46.7 Ų | 46.7 | 53% | 0.528 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -74.8 | -48 | 179.2 | -62 | 166.9 | 0 | 0 | 0 | 111.3 | Q34 R35 L36 R40 | Q34-I38 HydrophobicContact CG-CD1 3.99Å; Q34-I38 WeakPolarHBondContact O-CG1 3.47Å; Q34-I38 PolarHBondContact O-N 2.86Å; R35-I38 PolarHBondContact O-N 3.39Å; L36-I38 VanDerWaalsContact C-N 3.33Å; L36-I38 PolarHBondContact O-N 2.73Å; I38-R40 PolarHBondContact O-N 3.24Å |
| 39 | E | 98.5 | Very high | 98.5 | Very high | 88 Ų | 88 | 45.9 Ų | 45.9 | 41% | 0.411 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -80.4 | -15.5 | -172 | -65.5 | 173.8 | -153.2 | 0 | 0 | 113.7 | R35 Y157 | R35-E39 IonicContact CZ-OE1 2.69Å; R35-E39 IonicContact NE-OE1 2.91Å; R35-E39 PolarHBondContact NE-OE1 3.03Å; R35-E39 IonicContact NH2-OE1 2.7Å; R35-E39 VanDerWaalsContact O-CB 3.25Å; R35-E39 WeakPolarHBondContact O-CB 3.21Å; R35-E39 VanDerWaalsContact O-CG 3.28Å; R35-E39 WeakPolarHBondContact O-CG 3.3Å; R35-E39 PolarHBondContact O-N 3.33Å; E39-Y157 WeakPolarHBondContact CB-OH 3.44Å; E39-Y157 VanDerWaalsContact OE2-CE1 3.25Å; E39-Y157 WeakPolarHBondContact OE2-CE1 3.35Å; E39-Y157 PolarHBondContact OE2-OH 3.33Å |
| 40 | R | 98.4 | Very high | 98.4 | Very high | 75 Ų | 75 | 52.1 Ų | 52.1 | 28% | 0.283 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.6 | 22.8 | -174.5 | -59.6 | -70.8 | -169.3 | -76.4 | -8.1 | 112.9 | L36 I38 K42 D43 I44 L153 Y157 | L36-R40 VanDerWaalsContact O-CB 3.29Å; L36-R40 WeakPolarHBondContact O-CB 3.37Å; L36-R40 PolarHBondContact O-N 3.42Å; I38-R40 PolarHBondContact O-N 3.24Å; R40-K42 PolarHBondContact O-N 2.75Å; R40-D43 HydrophobicContact CB-CB 4.45Å; R40-D43 WeakPolarHBondContact CD-OD2 3.33Å; R40-D43 PolarHBondContact O-N 2.86Å; R40-I44 WeakPolarHBondContact O-CG1 3.41Å; R40-I44 PolarHBondContact O-N 3.44Å; R40-L153 HydrophobicContact CB-CD1 3.71Å; R40-L153 HydrophobicContact CG-CD1 3.8Å; R40-L153 HydrophobicContact CG-CD2 4.34Å; R40-Y157 HydrophobicContact CG-CE2 4.18Å; R40-Y157 PolarHBondContact NH1-OH 2.9Å; R40-Y157 PolarHBondContact NH2-OH 3.45Å |
| 41 | E | 97.9 | Very high | 98.4 | Very high | 70 Ų | 70 | 53 Ų | 53 | 33% | 0.327 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -50.8 | -43.3 | 179.2 | -173.9 | -174.2 | 106.8 | 0 | 0 | 112.3 | F37 I44 S45 Q60 | F37-E41 PolarHBondContact O-N 2.95Å; E41-I44 PolarHBondContact O-N 2.97Å; E41-S45 WeakPolarHBondContact O-CB 3.3Å; E41-S45 PolarHBondContact O-N 2.96Å; E41-S45 PolarHBondContact O-OG 3.4Å; E41-Q60 HydrophobicContact CG-CG 4.36Å; E41-Q60 PolarHBondContact OE1-NE2 3.23Å; E41-Q60 PolarHBondContact OE2-NE2 2.98Å |
| 42 | K | 98.1 | Very high | 98.4 | Very high | 102 Ų | 102 | 47.8 Ų | 47.8 | 44% | 0.443 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68.6 | -44 | -178.8 | -169.3 | 61.4 | 167.6 | 71.4 | 0 | 112.7 | R40 I44 S45 D46 | R40-K42 PolarHBondContact O-N 2.75Å; K42-I44 VanDerWaalsContact C-N 3.28Å; K42-I44 PolarHBondContact O-N 2.93Å; K42-S45 PolarHBondContact O-N 3.13Å; K42-D46 IonicContact NZ-OD1 2.78Å; K42-D46 PolarHBondContact NZ-OD1 2.76Å; K42-D46 IonicContact NZ-OD2 2.79Å; K42-D46 PolarHBondContact NZ-OD2 2.76Å; K42-D46 WeakPolarHBondContact O-CB 3.48Å; K42-D46 VanDerWaalsContact O-CG 3.26Å; K42-D46 PolarHBondContact O-N 2.96Å |
| 43 | D | 98.7 | Very high | 98.3 | Very high | 79 Ų | 79 | 48 Ų | 48 | 42% | 0.422 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61 | -41.1 | 177.3 | -60.9 | -75.6 | 0 | 0 | 0 | 111.2 | R40 A47 V149 L153 | R40-D43 HydrophobicContact CB-CB 4.45Å; R40-D43 WeakPolarHBondContact CD-OD2 3.33Å; R40-D43 PolarHBondContact O-N 2.86Å; D43-A47 WeakPolarHBondContact O-CB 3.3Å; D43-A47 PolarHBondContact O-N 2.79Å; D43-A47 VanDerWaalsContact O-N 3.17Å; D43-V149 HydrophobicContact CB-CG1 4.42Å; D43-L153 HydrophobicContact CB-CD1 4.27Å |
| 44 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.7 | -51.8 | 176.5 | -69.1 | 167.9 | 0 | 0 | 0 | 110.5 | L36 F37 R40 E41 K42 D46 A47 I48 T59 T64 W118 V149 | L36-I44 HydrophobicContact CD2-CD1 3.88Å; F37-I44 HydrophobicContact CD1-CD1 3.8Å; F37-I44 HydrophobicContact CE1-CD1 4.32Å; R40-I44 WeakPolarHBondContact O-CG1 3.41Å; R40-I44 PolarHBondContact O-N 3.44Å; E41-I44 PolarHBondContact O-N 2.97Å; K42-I44 VanDerWaalsContact C-N 3.28Å; K42-I44 PolarHBondContact O-N 2.93Å; I44-D46 PolarHBondContact O-N 3.23Å; I44-A47 PolarHBondContact O-N 2.94Å; I44-I48 HydrophobicContact CG2-CD1 3.87Å; I44-I48 WeakPolarHBondContact O-CG1 3.39Å; I44-I48 PolarHBondContact O-N 3.32Å; I44-I48 VanDerWaalsContact O-N 3.09Å; I44-T59 HydrophobicContact CG2-CG2 4.17Å; I44-T64 HydrophobicContact CG2-CG2 4.13Å; I44-W118 HydrophobicContact CD1-CH2 4.46Å; I44-W118 HydrophobicContact CD1-CZ2 4.35Å; I44-W118 HydrophobicContact CG1-CH2 4.29Å; I44-W118 HydrophobicContact CG1-CZ2 3.76Å; I44-W118 HydrophobicContact CG2-CD2 4.45Å; I44-W118 HydrophobicContact CG2-CG 4.4Å; I44-V149 HydrophobicContact CG1-CG1 4.42Å |
| 45 | S | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.7 | -39.9 | -178.3 | -61.6 | 0 | 0 | 0 | 0 | 112.3 | E41 K42 A47 I48 K49 | E41-S45 WeakPolarHBondContact O-CB 3.3Å; E41-S45 PolarHBondContact O-N 2.96Å; E41-S45 PolarHBondContact O-OG 3.4Å; K42-S45 PolarHBondContact O-N 3.13Å; S45-A47 PolarHBondContact O-N 3.38Å; S45-I48 PolarHBondContact O-N 3.39Å; S45-K49 VanDerWaalsContact O-CB 3.3Å; S45-K49 WeakPolarHBondContact O-CB 3.42Å; S45-K49 PolarHBondContact O-N 3.39Å |
| 46 | D | 98.6 | Very high | 98 | Very high | 64 Ų | 64 | 46.6 Ų | 46.6 | 34% | 0.342 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.3 | -38.2 | 178.1 | -76.3 | -15.8 | 0 | 0 | 0 | 112.6 | K42 I44 K50 | K42-D46 IonicContact NZ-OD1 2.78Å; K42-D46 PolarHBondContact NZ-OD1 2.76Å; K42-D46 IonicContact NZ-OD2 2.79Å; K42-D46 PolarHBondContact NZ-OD2 2.76Å; K42-D46 WeakPolarHBondContact O-CB 3.48Å; K42-D46 VanDerWaalsContact O-CG 3.26Å; K42-D46 PolarHBondContact O-N 2.96Å; I44-D46 PolarHBondContact O-N 3.23Å; D46-K50 VanDerWaalsContact O-CG 3.31Å; D46-K50 WeakPolarHBondContact O-CG 3.3Å; D46-K50 PolarHBondContact O-N 2.62Å; D46-K50 VanDerWaalsContact O-N 3.15Å |
| 47 | A | 98.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.3 | -45.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D43 I44 S45 K49 K50 D51 H145 V149 | D43-A47 WeakPolarHBondContact O-CB 3.3Å; D43-A47 PolarHBondContact O-N 2.79Å; D43-A47 VanDerWaalsContact O-N 3.17Å; I44-A47 PolarHBondContact O-N 2.94Å; S45-A47 PolarHBondContact O-N 3.38Å; A47-K49 VanDerWaalsContact C-N 3.32Å; A47-K49 PolarHBondContact O-N 2.68Å; A47-K50 PolarHBondContact O-N 2.93Å; A47-K50 VanDerWaalsContact O-N 3.14Å; A47-D51 PolarHBondContact O-N 3.44Å; A47-H145 HydrophobicContact CB-CB 4.04Å; A47-V149 HydrophobicContact CB-CB 4.31Å; A47-V149 HydrophobicContact CB-CG2 3.63Å |
| 48 | I | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.4 | -34 | 178.8 | -61.9 | 168.6 | 0 | 0 | 0 | 110.9 | I44 S45 K50 D51 L52 K54 T59 E63 P117 | I44-I48 HydrophobicContact CG2-CD1 3.87Å; I44-I48 WeakPolarHBondContact O-CG1 3.39Å; I44-I48 PolarHBondContact O-N 3.32Å; I44-I48 VanDerWaalsContact O-N 3.09Å; S45-I48 PolarHBondContact O-N 3.39Å; I48-K50 VanDerWaalsContact C-N 3.29Å; I48-K50 PolarHBondContact O-N 3.36Å; I48-D51 PolarHBondContact O-N 2.97Å; I48-L52 HydrophobicContact CG2-CB 4.46Å; I48-L52 HydrophobicContact CG2-CD1 4.35Å; I48-L52 PolarHBondContact O-N 2.92Å; I48-K54 HydrophobicContact CG2-CB 3.83Å; I48-K54 HydrophobicContact CG2-CD 4.12Å; I48-T59 HydrophobicContact CD1-CG2 3.5Å; I48-E63 HydrophobicContact CD1-CB 4.41Å; I48-E63 HydrophobicContact CD1-CG 3.99Å; I48-P117 HydrophobicContact CG1-CG 4.48Å |
| 49 | K | 98.2 | Very high | 97.9 | Very high | 74 Ų | 74 | 46.2 Ų | 46.2 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.7 | -41.2 | 172.1 | -175.1 | 70.5 | -175 | 172.6 | 0 | 110.9 | S45 A47 N53 K54 | S45-K49 VanDerWaalsContact O-CB 3.3Å; S45-K49 WeakPolarHBondContact O-CB 3.42Å; S45-K49 PolarHBondContact O-N 3.39Å; A47-K49 VanDerWaalsContact C-N 3.32Å; A47-K49 PolarHBondContact O-N 2.68Å; K49-N53 WeakPolarHBondContact CE-OD1 3.48Å; K49-N53 PolarHBondContact NZ-O 3.3Å; K49-N53 PolarHBondContact NZ-OD1 2.97Å; K49-N53 WeakPolarHBondContact O-CA 3.22Å; K49-N53 PolarHBondContact O-N 2.89Å; K49-K54 WeakPolarHBondContact CD-O 3.45Å |
| 50 | K | 98.2 | Very high | 97.8 | Very high | 143 Ų | 143 | 45 Ų | 45 | 62% | 0.622 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -69 | -37.6 | 177.4 | -68.3 | 167.7 | -174.2 | 171.7 | 0 | 112.8 | D46 A47 I48 H145 | D46-K50 VanDerWaalsContact O-CG 3.31Å; D46-K50 WeakPolarHBondContact O-CG 3.3Å; D46-K50 PolarHBondContact O-N 2.62Å; D46-K50 VanDerWaalsContact O-N 3.15Å; A47-K50 PolarHBondContact O-N 2.93Å; A47-K50 VanDerWaalsContact O-N 3.14Å; I48-K50 VanDerWaalsContact C-N 3.29Å; I48-K50 PolarHBondContact O-N 3.36Å; K50-H145 HydrophobicContact CB-CB 4.2Å; K50-H145 WeakPolarHBondContact CB-CD2 3.41Å; K50-H145 HydrophobicContact CD-CB 4.39Å |
| 51 | D | 98.3 | Very high | 97.7 | Very high | 17 Ų | 17 | 46.1 Ų | 46.1 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -80.8 | -40.4 | -177.8 | -68.2 | -37.6 | 0 | 0 | 0 | 113.1 | A47 I48 C143 V144 H145 T146 I286 | A47-D51 PolarHBondContact O-N 3.44Å; I48-D51 PolarHBondContact O-N 2.97Å; D51-C143 HydrophobicContact CB-CB 4.09Å; D51-C143 WeakPolarHBondContact OD2-CB 3.47Å; D51-V144 PolarHBondContact OD1-N 3.45Å; D51-H145 IonicContact OD1-CD2 2.72Å; D51-H145 PolarHBondContact OD1-CD2 2.89Å; D51-H145 VanDerWaalsContact OD1-CD2 3.27Å; D51-H145 IonicContact OD1-CG 3.91Å; D51-H145 PolarHBondContact OD1-N 3.41Å; D51-H145 PolarHBondContact OD2-N 3.24Å; D51-T146 VanDerWaalsContact OD2-CB 3.22Å; D51-T146 WeakPolarHBondContact OD2-CB 3.31Å; D51-T146 PolarHBondContact OD2-N 2.96Å; D51-T146 PolarHBondContact OD2-OG1 2.88Å; D51-I286 HydrophobicContact CB-CD1 4.44Å; D51-I286 VanDerWaalsContact O-CD1 3.28Å; D51-I286 WeakPolarHBondContact O-CD1 3.48Å |
| 52 | L | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -127.6 | -0.7 | -168.6 | -69.5 | 171.2 | 0 | 0 | 0 | 114.3 | I48 K54 W114 N115 G283 R284 I286 | I48-L52 HydrophobicContact CG2-CB 4.46Å; I48-L52 HydrophobicContact CG2-CD1 4.35Å; I48-L52 PolarHBondContact O-N 2.92Å; L52-K54 PolarHBondContact O-N 2.92Å; L52-K54 VanDerWaalsContact O-N 3.15Å; L52-W114 HydrophobicContact CD2-CE3 4.35Å; L52-W114 HydrophobicContact CD2-CZ3 4.38Å; L52-N115 VanDerWaalsContact CD1-O 3.31Å; L52-N115 WeakPolarHBondContact CD1-O 3.46Å; L52-G283 WeakPolarHBondContact O-CA 3.47Å; L52-R284 PolarHBondContact O-N 3.43Å; L52-R284 VanDerWaalsContact O-N 3.09Å; L52-I286 HydrophobicContact CD2-CB 4.24Å; L52-I286 HydrophobicContact CD2-CD1 3.79Å; L52-I286 HydrophobicContact CD2-CG1 4.46Å; L52-I286 HydrophobicContact CG-CD1 4.37Å |
| 53 | N | 97.4 | Very high | 97.6 | Very high | 38 Ų | 38 | 41.4 Ų | 41.4 | 20% | 0.203 | 21% | 0.209 | C | C | . | . | trans | 57.4 | 19.9 | -172.8 | -164.1 | 49.4 | 0 | 0 | 0 | 114.7 | K49 Y282 R284 | K49-N53 WeakPolarHBondContact CE-OD1 3.48Å; K49-N53 PolarHBondContact NZ-O 3.3Å; K49-N53 PolarHBondContact NZ-OD1 2.97Å; K49-N53 WeakPolarHBondContact O-CA 3.22Å; K49-N53 PolarHBondContact O-N 2.89Å; N53-Y282 PolarHBondContact ND2-O 3.35Å; N53-R284 HydrophobicContact CB-CB 4.06Å; N53-R284 HydrophobicContact CB-CG 3.58Å; N53-R284 PolarHBondContact ND2-NH1 3.09Å | ||
| 54 | K | 97.1 | Very high | 97.6 | Very high | 15 Ų | 15 | 38 Ų | 38 | 7% | 0.065 | 19% | 0.19 | C | C | . | . | trans | -69.1 | 137.2 | 178.1 | -163.8 | 173.5 | -72.3 | 155.4 | 0 | 111 | I48 K49 L52 E63 N239 | I48-K54 HydrophobicContact CG2-CB 3.83Å; I48-K54 HydrophobicContact CG2-CD 4.12Å; K49-K54 WeakPolarHBondContact CD-O 3.45Å; L52-K54 PolarHBondContact O-N 2.92Å; L52-K54 VanDerWaalsContact O-N 3.15Å; K54-E63 HydrophobicContact CD-CG 4.49Å; K54-E63 IonicContact NZ-OE1 3.97Å; K54-E63 PolarHBondContact NZ-OE1 2.91Å; K54-N239 WeakPolarHBondContact CE-OD1 3.34Å; K54-N239 PolarHBondContact NZ-OD1 3.4Å | ||
| 55 | S | 96.6 | Very high | 97.5 | Very high | 16 Ų | 16 | 42.7 Ų | 42.7 | 11% | 0.112 | 22% | 0.215 | C | C | . | . | trans | -63.6 | 162.3 | 174.7 | 62.4 | 0 | 0 | 0 | 0 | 111.4 | G58 T59 D281 | S55-G58 PolarHBondContact O-N 3.24Å; S55-G58 PolarHBondContact OG-N 3.19Å; S55-T59 WeakPolarHBondContact O-CB 2.78Å; S55-T59 PolarHBondContact O-N 2.84Å; S55-T59 PolarHBondContact O-OG1 2.94Å; S55-D281 WeakPolarHBondContact CB-OD1 3.39Å; S55-D281 PolarHBondContact OG-OD1 3.14Å | ||
| 56 | E | 96.9 | Very high | 97.5 | Very high | 85 Ų | 85 | 44.8 Ų | 44.8 | 40% | 0.397 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.9 | -48.3 | 175.6 | 179.4 | 169 | -160.3 | 0 | 0 | 111.1 | G58 T59 Q60 | E56-G58 PolarHBondContact O-N 3.09Å; E56-T59 VanDerWaalsContact O-CB 3.31Å; E56-T59 WeakPolarHBondContact O-CB 3.35Å; E56-T59 PolarHBondContact O-N 3.39Å; E56-Q60 PolarHBondContact O-N 3.45Å |
| 57 | V | 96.7 | Very high | 97.5 | Very high | 91 Ų | 91 | 41.9 Ų | 41.9 | 55% | 0.552 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -62.6 | -43.4 | 175.3 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | T59 Q60 L61 | V57-T59 VanDerWaalsContact C-N 3.28Å; V57-T59 PolarHBondContact O-N 3.04Å; V57-Q60 PolarHBondContact O-N 3.45Å; V57-L61 HydrophobicContact CG1-CD1 4.02Å; V57-L61 HydrophobicContact CG1-CG 4.42Å; V57-L61 WeakPolarHBondContact O-CG 3.24Å; V57-L61 PolarHBondContact O-N 3.34Å |
| 58 | G | 96.5 | Very high | 97.5 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 7% | 0.072 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.2 | -36.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S55 E56 F62 | S55-G58 PolarHBondContact O-N 3.24Å; S55-G58 PolarHBondContact OG-N 3.19Å; E56-G58 PolarHBondContact O-N 3.09Å; G58-F62 WeakPolarHBondContact O-CB 3.34Å; G58-F62 VanDerWaalsContact O-CD2 3.24Å; G58-F62 WeakPolarHBondContact O-CD2 3.41Å; G58-F62 PolarHBondContact O-N 3.47Å; G58-F62 VanDerWaalsContact O-N 3.08Å |
| 59 | T | 97.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.8 | -49.8 | 173.3 | -69 | 0 | 0 | 0 | 0 | 110.4 | I44 I48 S55 E56 V57 L61 F62 E63 | I44-T59 HydrophobicContact CG2-CG2 4.17Å; I48-T59 HydrophobicContact CD1-CG2 3.5Å; S55-T59 WeakPolarHBondContact O-CB 2.78Å; S55-T59 PolarHBondContact O-N 2.84Å; S55-T59 PolarHBondContact O-OG1 2.94Å; E56-T59 VanDerWaalsContact O-CB 3.31Å; E56-T59 WeakPolarHBondContact O-CB 3.35Å; E56-T59 PolarHBondContact O-N 3.39Å; V57-T59 VanDerWaalsContact C-N 3.28Å; V57-T59 PolarHBondContact O-N 3.04Å; T59-L61 PolarHBondContact O-N 2.97Å; T59-F62 PolarHBondContact O-N 3.31Å; T59-E63 HydrophobicContact CG2-CB 4.39Å; T59-E63 HydrophobicContact CG2-CG 4.4Å; T59-E63 WeakPolarHBondContact O-CA 3.42Å; T59-E63 WeakPolarHBondContact O-CB 3.44Å; T59-E63 WeakPolarHBondContact O-CG 3.26Å; T59-E63 PolarHBondContact O-N 3.39Å |
| 60 | Q | 97.1 | Very high | 97.5 | Very high | 61 Ų | 61 | 42.6 Ų | 42.6 | 29% | 0.285 | 24% | 0.236 | S | C | . | . | I | π-helix | trans | -59.5 | -48.9 | 179.2 | -66.4 | 176.3 | 21.8 | 0 | 0 | 111.8 | E41 E56 V57 F62 T64 L65 | E41-Q60 HydrophobicContact CG-CG 4.36Å; E41-Q60 PolarHBondContact OE1-NE2 3.23Å; E41-Q60 PolarHBondContact OE2-NE2 2.98Å; E56-Q60 PolarHBondContact O-N 3.45Å; V57-Q60 PolarHBondContact O-N 3.45Å; Q60-F62 PolarHBondContact O-N 2.73Å; Q60-T64 WeakPolarHBondContact CA-OG1 3.26Å; Q60-T64 PolarHBondContact O-N 2.93Å; Q60-L65 WeakPolarHBondContact O-CB 3.41Å; Q60-L65 PolarHBondContact O-N 3.24Å |
| 61 | L | 96.4 | Very high | 97.5 | Very high | 100 Ų | 100 | 35.8 Ų | 35.8 | 52% | 0.524 | 21% | 0.206 | S | C | . | . | I | π-helix | trans | -61.8 | -40.4 | -176.4 | -73.3 | 173.4 | 0 | 0 | 0 | 113.4 | V57 T59 L65 | V57-L61 HydrophobicContact CG1-CD1 4.02Å; V57-L61 HydrophobicContact CG1-CG 4.42Å; V57-L61 WeakPolarHBondContact O-CG 3.24Å; V57-L61 PolarHBondContact O-N 3.34Å; T59-L61 PolarHBondContact O-N 2.97Å; L61-L65 HydrophobicContact CD2-CD2 4.39Å |
| 62 | F | 96.2 | Very high | 97.5 | Very high | 71 Ų | 71 | 38 Ų | 38 | 31% | 0.311 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -105.4 | -12.6 | -170.8 | -65 | -66.4 | 0 | 0 | 0 | 114.9 | G58 T59 Q60 Y116 W234 T238 | G58-F62 WeakPolarHBondContact O-CB 3.34Å; G58-F62 VanDerWaalsContact O-CD2 3.24Å; G58-F62 WeakPolarHBondContact O-CD2 3.41Å; G58-F62 PolarHBondContact O-N 3.47Å; G58-F62 VanDerWaalsContact O-N 3.08Å; T59-F62 PolarHBondContact O-N 3.31Å; Q60-F62 PolarHBondContact O-N 2.73Å; F62-Y116 HydrophobicContact CB-CD1 4.28Å; F62-Y116 HydrophobicContact CB-CE1 3.92Å; F62-W234 HydrophobicContact CE1-CZ2 4.11Å; F62-W234 HydrophobicContact CZ-CZ2 4.45Å; F62-T238 HydrophobicContact CD1-CG2 4.19Å; F62-T238 HydrophobicContact CD2-CG2 4.3Å; F62-T238 HydrophobicContact CE1-CG2 3.76Å; F62-T238 HydrophobicContact CE2-CG2 3.9Å; F62-T238 HydrophobicContact CG-CG2 4.46Å; F62-T238 HydrophobicContact CZ-CG2 3.6Å |
| 63 | E | 97.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -118.4 | -53.4 | -175.5 | -55.4 | -86.3 | -170.2 | 0 | 0 | 112.3 | I48 K54 T59 L67 Y116 P117 W118 A119 | I48-E63 HydrophobicContact CD1-CB 4.41Å; I48-E63 HydrophobicContact CD1-CG 3.99Å; K54-E63 HydrophobicContact CD-CG 4.49Å; K54-E63 IonicContact NZ-OE1 3.97Å; K54-E63 PolarHBondContact NZ-OE1 2.91Å; T59-E63 HydrophobicContact CG2-CB 4.39Å; T59-E63 HydrophobicContact CG2-CG 4.4Å; T59-E63 WeakPolarHBondContact O-CA 3.42Å; T59-E63 WeakPolarHBondContact O-CB 3.44Å; T59-E63 WeakPolarHBondContact O-CG 3.26Å; T59-E63 PolarHBondContact O-N 3.39Å; E63-L67 WeakPolarHBondContact O-CD1 3.38Å; E63-L67 VanDerWaalsContact O-CG 3.22Å; E63-L67 WeakPolarHBondContact O-CG 3.48Å; E63-Y116 VanDerWaalsContact OE1-CA 3.28Å; E63-Y116 WeakPolarHBondContact OE1-CA 3.43Å; E63-Y116 VanDerWaalsContact OE2-CA 3.26Å; E63-Y116 WeakPolarHBondContact OE2-CA 3.26Å; E63-Y116 WeakPolarHBondContact OE2-CB 3.37Å; E63-P117 WeakPolarHBondContact OE1-CD 3.35Å; E63-W118 HydrophobicContact CB-CB 4.34Å; E63-W118 PolarHBondContact OE2-N 3.31Å; E63-A119 PolarHBondContact OE2-N 3.09Å |
| 64 | T | 97.9 | Very high | 97.6 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -101.4 | -36.6 | -166.3 | 61.8 | 0 | 0 | 0 | 0 | 114 | F37 I44 Q60 G66 L67 E68 | F37-T64 HydrophobicContact CD1-CG2 3.85Å; F37-T64 HydrophobicContact CE1-CG2 4.26Å; I44-T64 HydrophobicContact CG2-CG2 4.13Å; Q60-T64 WeakPolarHBondContact CA-OG1 3.26Å; Q60-T64 PolarHBondContact O-N 2.93Å; T64-G66 VanDerWaalsContact C-N 3.3Å; T64-G66 PolarHBondContact O-N 3.32Å; T64-L67 WeakPolarHBondContact O-CA 3.45Å; T64-L67 WeakPolarHBondContact O-CB 3.36Å; T64-L67 PolarHBondContact O-N 3.43Å; T64-E68 PolarHBondContact O-N 3.29Å |
| 65 | L | 97.4 | Very high | 97.7 | Very high | 99 Ų | 99 | 38.8 Ų | 38.8 | 52% | 0.518 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.6 | -40.7 | -176.5 | -178.5 | 62.4 | 0 | 0 | 0 | 112 | Q60 L61 L67 E68 G69 | Q60-L65 WeakPolarHBondContact O-CB 3.41Å; Q60-L65 PolarHBondContact O-N 3.24Å; L61-L65 HydrophobicContact CD2-CD2 4.39Å; L65-L67 VanDerWaalsContact C-N 3.33Å; L65-L67 PolarHBondContact O-N 3.38Å; L65-E68 PolarHBondContact O-N 3.06Å; L65-G69 PolarHBondContact O-N 3.26Å |
| 66 | G | 97.3 | Very high | 97.8 | Very high | 48 Ų | 48 | 47 Ų | 47 | 50% | 0.495 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T64 G69 E70 | T64-G66 VanDerWaalsContact C-N 3.3Å; T64-G66 PolarHBondContact O-N 3.32Å; G66-G69 PolarHBondContact O-N 3.11Å; G66-E70 WeakPolarHBondContact O-CG 3.31Å; G66-E70 PolarHBondContact O-N 3.26Å |
| 67 | L | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.6 | -40.8 | 177.8 | -62.4 | 174.3 | 0 | 0 | 0 | 111.9 | F37 E63 T64 L65 G69 E70 I71 W118 I122 Q123 I126 | F37-L67 HydrophobicContact CE1-CD1 3.96Å; F37-L67 HydrophobicContact CE2-CB 3.91Å; F37-L67 HydrophobicContact CE2-CD1 4.12Å; F37-L67 HydrophobicContact CZ-CB 4.17Å; F37-L67 HydrophobicContact CZ-CD1 3.5Å; F37-L67 VanDerWaalsContact CZ-CD1 3.5Å; F37-L67 HydrophobicContact CZ-CG 4.47Å; E63-L67 WeakPolarHBondContact O-CD1 3.38Å; E63-L67 VanDerWaalsContact O-CG 3.22Å; E63-L67 WeakPolarHBondContact O-CG 3.48Å; T64-L67 WeakPolarHBondContact O-CA 3.45Å; T64-L67 WeakPolarHBondContact O-CB 3.36Å; T64-L67 PolarHBondContact O-N 3.43Å; L65-L67 VanDerWaalsContact C-N 3.33Å; L65-L67 PolarHBondContact O-N 3.38Å; L67-G69 VanDerWaalsContact C-N 3.32Å; L67-E70 PolarHBondContact O-N 2.89Å; L67-I71 WeakPolarHBondContact O-CB 3.47Å; L67-I71 VanDerWaalsContact O-CG1 3.27Å; L67-I71 WeakPolarHBondContact O-CG1 3.42Å; L67-I71 PolarHBondContact O-N 2.75Å; L67-W118 HydrophobicContact CD1-CB 4.28Å; L67-I122 HydrophobicContact CD1-CB 3.91Å; L67-I122 HydrophobicContact CD1-CG2 4.26Å; L67-I122 HydrophobicContact CD2-CB 4.12Å; L67-I122 HydrophobicContact CD2-CG2 4.32Å; L67-Q123 HydrophobicContact CD2-CB 3.64Å; L67-Q123 HydrophobicContact CD2-CG 4.33Å; L67-I126 HydrophobicContact CB-CD1 4.23Å; L67-I126 HydrophobicContact CD2-CD1 3.9Å |
| 68 | E | 98.5 | Very high | 98 | Very high | 46 Ų | 46 | 42.4 Ų | 42.4 | 22% | 0.215 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -41.9 | 173.4 | -69.3 | -176.8 | -109.4 | 0 | 0 | 111.6 | F37 T64 L65 I71 N72 | F37-E68 HydrophobicContact CB-CG 4.35Å; F37-E68 HydrophobicContact CD2-CG 4.5Å; T64-E68 PolarHBondContact O-N 3.29Å; L65-E68 PolarHBondContact O-N 3.06Å; E68-I71 PolarHBondContact O-N 3.3Å; E68-N72 WeakPolarHBondContact O-CB 3.14Å; E68-N72 VanDerWaalsContact O-CG 3.24Å; E68-N72 PolarHBondContact O-N 3.22Å; E68-N72 PolarHBondContact O-ND2 2.98Å; E68-N72 VanDerWaalsContact O-ND2 3.12Å |
| 69 | G | 98.4 | Very high | 98.1 | Very high | 36 Ų | 36 | 50.3 Ų | 50.3 | 37% | 0.371 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.2 | -48.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L65 G66 L67 N72 L73 | L65-G69 PolarHBondContact O-N 3.26Å; G66-G69 PolarHBondContact O-N 3.11Å; L67-G69 VanDerWaalsContact C-N 3.32Å; G69-N72 PolarHBondContact O-N 2.96Å; G69-L73 WeakPolarHBondContact O-CB 3.44Å; G69-L73 PolarHBondContact O-N 2.95Å |
| 70 | E | 98.6 | Very high | 98.2 | Very high | 11 Ų | 11 | 55.7 Ų | 55.7 | 5% | 0.051 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 178.1 | -75.8 | -71.6 | 109.2 | 0 | 0 | 112.4 | G66 L67 L73 A74 Q123 I126 S398 G415 | G66-E70 WeakPolarHBondContact O-CG 3.31Å; G66-E70 PolarHBondContact O-N 3.26Å; L67-E70 PolarHBondContact O-N 2.89Å; E70-L73 PolarHBondContact O-N 2.93Å; E70-A74 WeakPolarHBondContact O-CB 3.27Å; E70-A74 PolarHBondContact O-N 3.36Å; E70-Q123 HydrophobicContact CG-CG 4.19Å; E70-I126 HydrophobicContact CB-CD1 4.16Å; E70-S398 WeakPolarHBondContact OE1-CB 3.26Å; E70-S398 PolarHBondContact OE1-OG 3.38Å; E70-G415 PolarHBondContact OE2-N 2.97Å |
| 71 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.3 | -49.1 | 174.3 | -72.3 | 163.9 | 0 | 0 | 0 | 110.4 | L30 L33 Q34 F37 L67 E68 L73 A74 I75 I126 | L30-I71 HydrophobicContact CB-CG2 4.17Å; L30-I71 WeakPolarHBondContact O-CG2 3.27Å; L33-I71 HydrophobicContact CB-CD1 4.23Å; L33-I71 HydrophobicContact CD2-CD1 4.1Å; L33-I71 HydrophobicContact CG-CD1 3.98Å; Q34-I71 HydrophobicContact CB-CD1 4.26Å; Q34-I71 HydrophobicContact CB-CG2 4.06Å; F37-I71 HydrophobicContact CD2-CD1 4.05Å; F37-I71 HydrophobicContact CE2-CD1 3.87Å; L67-I71 WeakPolarHBondContact O-CB 3.47Å; L67-I71 VanDerWaalsContact O-CG1 3.27Å; L67-I71 WeakPolarHBondContact O-CG1 3.42Å; L67-I71 PolarHBondContact O-N 2.75Å; E68-I71 PolarHBondContact O-N 3.3Å; I71-L73 VanDerWaalsContact C-N 3.3Å; I71-L73 PolarHBondContact O-N 2.74Å; I71-A74 PolarHBondContact O-N 2.95Å; I71-I75 HydrophobicContact CG2-CD1 3.63Å; I71-I75 HydrophobicContact CG2-CG1 4.33Å; I71-I75 WeakPolarHBondContact O-CG1 3.47Å; I71-I75 PolarHBondContact O-N 2.93Å; I71-I126 HydrophobicContact CD1-CD1 4.1Å; I71-I126 HydrophobicContact CD1-CG1 4.39Å; I71-I126 HydrophobicContact CG1-CD1 3.58Å; I71-I126 HydrophobicContact CG1-CG1 3.77Å; I71-I126 HydrophobicContact CG1-CG2 4.4Å |
| 72 | N | 98.7 | Very high | 98.3 | Very high | 64 Ų | 64 | 49.5 Ų | 49.5 | 34% | 0.342 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 178.9 | -75.9 | -32.8 | 0 | 0 | 0 | 111.7 | Q34 E68 G69 R76 | Q34-N72 PolarHBondContact NE2-ND2 2.84Å; Q34-N72 PolarHBondContact NE2-OD1 2.84Å; E68-N72 WeakPolarHBondContact O-CB 3.14Å; E68-N72 VanDerWaalsContact O-CG 3.24Å; E68-N72 PolarHBondContact O-N 3.22Å; E68-N72 PolarHBondContact O-ND2 2.98Å; E68-N72 VanDerWaalsContact O-ND2 3.12Å; G69-N72 PolarHBondContact O-N 2.96Å; N72-R76 WeakPolarHBondContact O-CB 3.43Å; N72-R76 VanDerWaalsContact O-CG 3.26Å; N72-R76 WeakPolarHBondContact O-CG 3.26Å; N72-R76 PolarHBondContact O-N 2.93Å; N72-R76 VanDerWaalsContact O-N 3.14Å; N72-R76 PolarHBondContact O-NE 3.18Å |
| 73 | L | 98.8 | Very high | 98.5 | Very high | 30 Ų | 30 | 48 Ų | 48 | 16% | 0.157 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.8 | -51.1 | 174 | 178.8 | 62.8 | 0 | 0 | 0 | 111.2 | G69 E70 I71 I75 R76 K77 W81 | G69-L73 WeakPolarHBondContact O-CB 3.44Å; G69-L73 PolarHBondContact O-N 2.95Å; E70-L73 PolarHBondContact O-N 2.93Å; I71-L73 VanDerWaalsContact C-N 3.3Å; I71-L73 PolarHBondContact O-N 2.74Å; L73-I75 PolarHBondContact O-N 2.66Å; L73-R76 PolarHBondContact O-N 2.88Å; L73-K77 HydrophobicContact CD1-CG 3.85Å; L73-K77 WeakPolarHBondContact O-CB 3.27Å; L73-K77 PolarHBondContact O-N 3.22Å; L73-W81 HydrophobicContact CD2-CH2 4.4Å; L73-W81 HydrophobicContact CD2-CZ2 4.47Å; L73-W81 HydrophobicContact CG-CH2 4.03Å; L73-W81 HydrophobicContact CG-CZ2 4.13Å |
| 74 | A | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.9 | -48.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L30 E70 I71 R76 K77 L78 W81 I126 A130 | L30-A74 HydrophobicContact CD1-CB 3.97Å; E70-A74 WeakPolarHBondContact O-CB 3.27Å; E70-A74 PolarHBondContact O-N 3.36Å; I71-A74 PolarHBondContact O-N 2.95Å; A74-R76 VanDerWaalsContact C-N 3.34Å; A74-R76 PolarHBondContact O-N 3.45Å; A74-K77 PolarHBondContact O-N 3.1Å; A74-L78 WeakPolarHBondContact O-CA 3.39Å; A74-L78 WeakPolarHBondContact O-CB 3.4Å; A74-L78 PolarHBondContact O-N 2.96Å; A74-W81 HydrophobicContact CB-CH2 4.43Å; A74-W81 HydrophobicContact CB-CZ3 3.99Å; A74-I126 HydrophobicContact CB-CG2 4.2Å; A74-A130 HydrophobicContact CB-CB 4.43Å |
| 75 | I | 98.8 | Very high | 98.5 | Very high | 36 Ų | 36 | 53.6 Ų | 53.6 | 19% | 0.185 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.2 | -46.6 | 177.7 | -69.8 | 168.1 | 0 | 0 | 0 | 111.2 | I27 L30 K31 I71 L73 K77 | I27-I75 HydrophobicContact CG2-CG1 4.47Å; I27-I75 HydrophobicContact CG2-CG2 4.2Å; L30-I75 HydrophobicContact CB-CD1 4.07Å; L30-I75 HydrophobicContact CB-CG1 3.89Å; L30-I75 HydrophobicContact CD1-CG1 4.05Å; K31-I75 HydrophobicContact CG-CD1 3.73Å; I71-I75 HydrophobicContact CG2-CD1 3.63Å; I71-I75 HydrophobicContact CG2-CG1 4.33Å; I71-I75 WeakPolarHBondContact O-CG1 3.47Å; I71-I75 PolarHBondContact O-N 2.93Å; L73-I75 PolarHBondContact O-N 2.66Å; I75-K77 VanDerWaalsContact C-N 3.35Å; I75-K77 PolarHBondContact O-N 3.24Å |
| 76 | R | 98.7 | Very high | 98.5 | Very high | 187 Ų | 187 | 54.3 Ų | 54.3 | 71% | 0.706 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -66.4 | -35.7 | -178.7 | -73.9 | -177 | -58.9 | -177.7 | 4.3 | 112.8 | N72 L73 A74 | N72-R76 WeakPolarHBondContact O-CB 3.43Å; N72-R76 VanDerWaalsContact O-CG 3.26Å; N72-R76 WeakPolarHBondContact O-CG 3.26Å; N72-R76 PolarHBondContact O-N 2.93Å; N72-R76 VanDerWaalsContact O-N 3.14Å; N72-R76 PolarHBondContact O-NE 3.18Å; L73-R76 PolarHBondContact O-N 2.88Å; A74-R76 VanDerWaalsContact C-N 3.34Å; A74-R76 PolarHBondContact O-N 3.45Å |
| 77 | K | 98.8 | Very high | 98.4 | Very high | 80 Ų | 80 | 54.8 Ų | 54.8 | 35% | 0.348 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -104 | -10.3 | -170.4 | -68.8 | -61.7 | -160.8 | 170.6 | 0 | 115 | L73 A74 I75 K79 E80 W81 | L73-K77 HydrophobicContact CD1-CG 3.85Å; L73-K77 WeakPolarHBondContact O-CB 3.27Å; L73-K77 PolarHBondContact O-N 3.22Å; A74-K77 PolarHBondContact O-N 3.1Å; I75-K77 VanDerWaalsContact C-N 3.35Å; I75-K77 PolarHBondContact O-N 3.24Å; K77-K79 VanDerWaalsContact C-N 3.3Å; K77-K79 PolarHBondContact O-N 2.82Å; K77-K79 VanDerWaalsContact O-N 3.16Å; K77-E80 VanDerWaalsContact CD-OE2 3.32Å; K77-E80 WeakPolarHBondContact CD-OE2 3.43Å; K77-E80 IonicContact NZ-OE1 3.76Å; K77-E80 IonicContact NZ-OE2 3.66Å; K77-E80 PolarHBondContact NZ-OE2 3.38Å; K77-E80 WeakPolarHBondContact O-CA 3.46Å; K77-E80 VanDerWaalsContact O-CB 3.32Å; K77-E80 WeakPolarHBondContact O-CB 3.45Å; K77-E80 PolarHBondContact O-N 3.09Å; K77-W81 HydrophobicContact CB-CD2 3.84Å; K77-W81 HydrophobicContact CB-CE3 4.43Å; K77-W81 HydrophobicContact CB-CG 4.31Å; K77-W81 HydrophobicContact CB-CH2 4.14Å; K77-W81 HydrophobicContact CB-CZ2 3.49Å; K77-W81 VanDerWaalsContact CB-CZ2 3.49Å; K77-W81 HydrophobicContact CG-CZ2 4.08Å; K77-W81 PolarHBondContact O-N 2.91Å |
| 78 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -53.9 | -42.8 | -173 | 178 | 61.7 | 0 | 0 | 0 | 113.5 | L23 R26 I27 A74 E80 W81 A82 A130 F419 | L23-L78 HydrophobicContact CB-CD2 4.29Å; L23-L78 HydrophobicContact CD2-CD1 4.27Å; L23-L78 HydrophobicContact CD2-CD2 4.23Å; L23-L78 HydrophobicContact CD2-CG 4.04Å; R26-L78 HydrophobicContact CB-CD2 3.91Å; I27-L78 HydrophobicContact CD1-CD2 4.36Å; I27-L78 HydrophobicContact CG1-CD2 3.79Å; A74-L78 WeakPolarHBondContact O-CA 3.39Å; A74-L78 WeakPolarHBondContact O-CB 3.4Å; A74-L78 PolarHBondContact O-N 2.96Å; L78-E80 VanDerWaalsContact C-N 3.31Å; L78-E80 PolarHBondContact O-N 3.25Å; L78-W81 PolarHBondContact O-N 3.39Å; L78-A82 VanDerWaalsContact O-CB 3.32Å; L78-A82 WeakPolarHBondContact O-CB 3.47Å; L78-A82 PolarHBondContact O-N 2.62Å; L78-A130 HydrophobicContact CD1-CB 4.24Å; L78-A130 WeakPolarHBondContact CD1-O 3.43Å; L78-F419 HydrophobicContact CD1-CD2 4.17Å; L78-F419 HydrophobicContact CD1-CE2 3.81Å |
| 79 | K | 98.7 | Very high | 97.7 | Very high | 174 Ų | 174 | 63.6 Ų | 63.6 | 76% | 0.757 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.9 | -39.6 | 178.2 | -174.6 | 179 | 179.3 | 179.5 | 0 | 112.3 | K77 A83 | K77-K79 VanDerWaalsContact C-N 3.3Å; K77-K79 PolarHBondContact O-N 2.82Å; K77-K79 VanDerWaalsContact O-N 3.16Å; K79-A83 PolarHBondContact O-N 2.98Å |
| 80 | E | 98.7 | Very high | 97 | Very high | 113 Ų | 113 | 66.2 Ų | 66.2 | 53% | 0.528 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68 | -47.3 | 176 | -175.4 | -167.2 | 134.4 | 0 | 0 | 110.4 | K77 L78 A82 A83 | K77-E80 VanDerWaalsContact CD-OE2 3.32Å; K77-E80 WeakPolarHBondContact CD-OE2 3.43Å; K77-E80 IonicContact NZ-OE1 3.76Å; K77-E80 IonicContact NZ-OE2 3.66Å; K77-E80 PolarHBondContact NZ-OE2 3.38Å; K77-E80 WeakPolarHBondContact O-CA 3.46Å; K77-E80 VanDerWaalsContact O-CB 3.32Å; K77-E80 WeakPolarHBondContact O-CB 3.45Å; K77-E80 PolarHBondContact O-N 3.09Å; L78-E80 VanDerWaalsContact C-N 3.31Å; L78-E80 PolarHBondContact O-N 3.25Å; E80-A82 VanDerWaalsContact C-N 3.34Å; E80-A82 PolarHBondContact O-N 3.4Å; E80-A83 WeakPolarHBondContact O-CB 3.2Å; E80-A83 PolarHBondContact O-N 2.6Å |
| 81 | W | 98.8 | Very high | 96.2 | Very high | 14 Ų | 14 | 67.3 Ų | 67.3 | 5% | 0.053 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.7 | -37.5 | -177.3 | -65.1 | -12.6 | 0 | 0 | 0 | 113.5 | L73 A74 K77 L78 R85 K416 F419 | L73-W81 HydrophobicContact CD2-CH2 4.4Å; L73-W81 HydrophobicContact CD2-CZ2 4.47Å; L73-W81 HydrophobicContact CG-CH2 4.03Å; L73-W81 HydrophobicContact CG-CZ2 4.13Å; A74-W81 HydrophobicContact CB-CH2 4.43Å; A74-W81 HydrophobicContact CB-CZ3 3.99Å; K77-W81 HydrophobicContact CB-CD2 3.84Å; K77-W81 HydrophobicContact CB-CE3 4.43Å; K77-W81 HydrophobicContact CB-CG 4.31Å; K77-W81 HydrophobicContact CB-CH2 4.14Å; K77-W81 HydrophobicContact CB-CZ2 3.49Å; K77-W81 VanDerWaalsContact CB-CZ2 3.49Å; K77-W81 HydrophobicContact CG-CZ2 4.08Å; K77-W81 PolarHBondContact O-N 2.91Å; L78-W81 PolarHBondContact O-N 3.39Å; W81-R85 PolarHBondContact O-NH2 2.85Å; W81-K416 HydrophobicContact CD2-CB 4.45Å; W81-K416 HydrophobicContact CD2-CG 4.36Å; W81-K416 HydrophobicContact CG-CG 4.23Å; W81-K416 HydrophobicContact CZ2-CB 3.97Å; W81-F419 HydrophobicContact CB-CD1 3.8Å; W81-F419 HydrophobicContact CB-CD2 4.16Å; W81-F419 HydrophobicContact CB-CE1 3.87Å; W81-F419 HydrophobicContact CB-CE2 4.21Å; W81-F419 HydrophobicContact CB-CG 3.96Å; W81-F419 HydrophobicContact CB-CZ 4.08Å; W81-F419 HydrophobicContact CD2-CB 4.38Å; W81-F419 HydrophobicContact CD2-CG 4.46Å; W81-F419 HydrophobicContact CE3-CB 3.78Å; W81-F419 HydrophobicContact CE3-CD2 4.08Å; W81-F419 AromaticContact CE3-CG 3.99Å; W81-F419 HydrophobicContact CE3-CG 3.99Å; W81-F419 HydrophobicContact CZ3-CB 4.27Å; W81-F419 WeakPolarHBondContact O-CE1 3.3Å |
| 82 | A | 98.8 | Very high | 95.5 | Very high | 17 Ų | 17 | 70.1 Ų | 70.1 | 14% | 0.14 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -9.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L23 L78 E80 Q101 F419 | L23-A82 HydrophobicContact CD1-CB 4.24Å; L23-A82 HydrophobicContact CD2-CB 3.71Å; L78-A82 VanDerWaalsContact O-CB 3.32Å; L78-A82 WeakPolarHBondContact O-CB 3.47Å; L78-A82 PolarHBondContact O-N 2.62Å; E80-A82 VanDerWaalsContact C-N 3.34Å; E80-A82 PolarHBondContact O-N 3.4Å; A82-Q101 PolarHBondContact O-NE2 3.39Å; A82-F419 HydrophobicContact CB-CE2 4.41Å; A82-F419 HydrophobicContact CB-CZ 3.97Å |
| 83 | A | 98.6 | Very high | 95 | Very high | 40 Ų | 40 | 68 Ų | 68 | 33% | 0.331 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -66.5 | 149.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K79 E80 R85 | K79-A83 PolarHBondContact O-N 2.98Å; E80-A83 WeakPolarHBondContact O-CB 3.2Å; E80-A83 PolarHBondContact O-N 2.6Å; A83-R85 PolarHBondContact O-N 3.41Å |
| 84 | P | 98.4 | Very high | 94.4 | Very high | 74 Ų | 74 | 68.4 Ų | 68.4 | 48% | 0.481 | 34% | 0.343 | S | S | . | . | trans | -50.3 | 133.4 | 165.4 | -26 | 33.2 | 0 | 0 | 0 | 111.3 | P86 Y99 | P84-P86 WeakPolarHBondContact O-CD 3.37Å; P84-Y99 HydrophobicContact CB-CD2 3.61Å; P84-Y99 HydrophobicContact CB-CE2 4Å; P84-Y99 HydrophobicContact CB-CG 4.29Å; P84-Y99 HydrophobicContact CG-CD2 4.49Å; P84-Y99 HydrophobicContact CG-CE2 4.43Å | ||
| 85 | R | 98.1 | Very high | 94 | Very high | 51 Ų | 51 | 71.3 Ų | 71.3 | 19% | 0.192 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 101.1 | -179.9 | -51 | 174.3 | -170.9 | 177.2 | 1.7 | 109.1 | W81 A83 Y99 I100 D420 | W81-R85 PolarHBondContact O-NH2 2.85Å; A83-R85 PolarHBondContact O-N 3.41Å; R85-Y99 CarbonylContact O-C 3.47Å; R85-Y99 WeakPolarHBondContact O-CA 2.88Å; R85-Y99 WeakPolarHBondContact O-CB 3.46Å; R85-I100 HydrophobicContact CB-CB 4.25Å; R85-I100 PolarHBondContact N-O 3.43Å; R85-I100 PolarHBondContact O-N 2.92Å; R85-D420 IonicContact CZ-OD1 3.06Å; R85-D420 VanDerWaalsContact CZ-OD1 3.26Å; R85-D420 IonicContact NH1-OD1 3.55Å; R85-D420 PolarHBondContact NH1-OD1 2.82Å; R85-D420 IonicContact NH1-OD2 3.97Å; R85-D420 PolarHBondContact NH1-OD2 2.89Å; R85-D420 IonicContact NH2-OD1 2.96Å; R85-D420 PolarHBondContact NH2-OD1 3.36Å |
| 86 | P | 97.1 | Very high | 93.6 | Very high | 115 Ų | 115 | 70 Ų | 70 | 75% | 0.747 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 141.9 | 175.7 | -22.5 | 33.9 | 0 | 0 | 0 | 110.7 | P84 | P84-P86 WeakPolarHBondContact O-CD 3.37Å |
| 87 | V | 95.1 | Very high | 93.5 | Very high | 58 Ų | 58 | 64.8 Ų | 64.8 | 35% | 0.352 | 35% | 0.345 | S | S | . | . | trans | -119.7 | 165.5 | 178.2 | -62.1 | 0 | 0 | 0 | 0 | 111.1 | V98 I100 | V87-V98 HydrophobicContact CG2-CB 4.03Å; V87-V98 HydrophobicContact CG2-CG1 3.44Å; V87-V98 VanDerWaalsContact CG2-CG1 3.44Å; V87-V98 PolarHBondContact N-O 3.13Å; V87-I100 HydrophobicContact CG1-CD1 3.62Å; V87-I100 HydrophobicContact CG1-CG1 3.77Å | ||
| 88 | E | 93.2 | Very high | 93.4 | Very high | 153 Ų | 153 | 62.1 Ų | 62.1 | 72% | 0.715 | 34% | 0.336 | S | S | * | . | trans | -59.7 | 140.4 | 173.5 | -173.2 | 167.4 | -156.9 | 0 | 0 | 111.4 | R469 | E88-R469 IonicContact OE1-NH2 3.27Š| ||
| 89 | K | 88.8 | Confident | 93.4 | Very high | 80 Ų | 80 | 64.4 Ų | 64.4 | 35% | 0.348 | 35% | 0.345 | S | S | . | . | trans | -110.3 | 153.9 | 179.8 | -54.9 | -179.2 | -167.2 | 179.6 | 0 | 108.9 | T93 D96 V98 | K89-T93 WeakPolarHBondContact CD-O 3.43Å; K89-D96 WeakPolarHBondContact CE-O 3.22Å; K89-D96 PolarHBondContact NZ-O 3.22Å; K89-V98 HydrophobicContact CD-CG2 4.26Å; K89-V98 HydrophobicContact CG-CB 4.26Å; K89-V98 HydrophobicContact CG-CG2 3.99Å | ||
| 90 | N | 84.4 | Confident | 93.4 | Very high | 90 Ų | 90 | 58.5 Ų | 58.5 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | trans | -103.1 | 177 | 170.4 | 64.3 | 46.5 | 0 | 0 | 0 | 110.5 | L92 T93 L94 | N90-L92 PolarHBondContact O-N 2.97Å; N90-L92 VanDerWaalsContact O-N 3.17Å; N90-L92 WeakPolarHBondContact OD1-CA 3.46Å; N90-L92 WeakPolarHBondContact OD1-CB 3.43Å; N90-L92 PolarHBondContact OD1-N 2.96Å; N90-T93 PolarHBondContact N-OG1 2.86Å; N90-T93 VanDerWaalsContact N-OG1 3.08Å; N90-T93 CarbonylContact O-C 3.46Å; N90-T93 PolarHBondContact O-N 2.97Å; N90-T93 PolarHBondContact O-OG1 3.27Å; N90-T93 PolarHBondContact OD1-N 2.94Å; N90-T93 PolarHBondContact OD1-OG1 3.15Å; N90-L94 PolarHBondContact O-N 2.98Å | ||
| 91 | L | 82.3 | Confident | 93.4 | Very high | 35 Ų | 35 | 55.1 Ų | 55.1 | 18% | 0.183 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -33.7 | -178 | -67.1 | 176.7 | 0 | 0 | 0 | 113.3 | T93 F457 F462 L472 | L91-T93 VanDerWaalsContact C-N 3.3Å; L91-T93 PolarHBondContact O-N 2.81Å; L91-F457 HydrophobicContact CB-CD1 4.1Å; L91-F457 HydrophobicContact CD1-CD1 3.89Å; L91-F462 HydrophobicContact CD1-CD2 4.31Å; L91-L472 HydrophobicContact CD2-CD2 3.35Å |
| 92 | L | 83 | Confident | 93.4 | Very high | 58 Ų | 58 | 55 Ų | 55 | 30% | 0.304 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -16.4 | -179.3 | -58.7 | 176.6 | 0 | 0 | 0 | 113.1 | N90 M441 F457 F458 | N90-L92 PolarHBondContact O-N 2.97Å; N90-L92 VanDerWaalsContact O-N 3.17Å; N90-L92 WeakPolarHBondContact OD1-CA 3.46Å; N90-L92 WeakPolarHBondContact OD1-CB 3.43Å; N90-L92 PolarHBondContact OD1-N 2.96Å; L92-M441 HydrophobicContact CD2-CE 3.97Å; L92-F457 HydrophobicContact CD2-CB 4.16Å; L92-F457 HydrophobicContact CD2-CG 4.27Å; L92-F458 HydrophobicContact CD1-CD1 4.42Å; L92-F458 HydrophobicContact CD1-CE1 3.7Å; L92-F458 HydrophobicContact CD1-CE2 4.15Å; L92-F458 HydrophobicContact CD1-CZ 3.53Å |
| 93 | T | 88.5 | Confident | 93.4 | Very high | 20 Ų | 20 | 56.4 Ų | 56.4 | 12% | 0.123 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | 7.2 | -176.8 | 62.1 | 0 | 0 | 0 | 0 | 113.4 | K89 N90 L91 S95 D96 L429 | K89-T93 WeakPolarHBondContact CD-O 3.43Å; N90-T93 PolarHBondContact N-OG1 2.86Å; N90-T93 VanDerWaalsContact N-OG1 3.08Å; N90-T93 CarbonylContact O-C 3.46Å; N90-T93 PolarHBondContact O-N 2.97Å; N90-T93 PolarHBondContact O-OG1 3.27Å; N90-T93 PolarHBondContact OD1-N 2.94Å; N90-T93 PolarHBondContact OD1-OG1 3.15Å; L91-T93 VanDerWaalsContact C-N 3.3Å; L91-T93 PolarHBondContact O-N 2.81Å; T93-S95 PolarHBondContact O-N 2.75Å; T93-S95 VanDerWaalsContact O-N 3.14Å; T93-D96 WeakPolarHBondContact CA-OD2 3.34Å; T93-D96 WeakPolarHBondContact O-CB 3.29Å; T93-D96 PolarHBondContact O-N 3.02Å; T93-L429 HydrophobicContact CG2-CD1 3.82Å |
| 94 | L | 87.3 | Confident | 93.4 | Very high | 39 Ų | 39 | 55.2 Ų | 55.2 | 20% | 0.204 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -37.6 | -173.4 | -168.7 | 66.1 | 0 | 0 | 0 | 113.1 | N90 L473 | N90-L94 PolarHBondContact O-N 2.98Å; L94-L473 HydrophobicContact CD2-CD2 3.71Å; L94-L473 HydrophobicContact CD2-CG 3.98Å; L94-L473 HydrophobicContact CG-CD2 4.42Å |
| 95 | S | 88.4 | Confident | 93.4 | Very high | 64 Ų | 64 | 53.9 Ų | 53.9 | 45% | 0.448 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -10.2 | 177.9 | 59.7 | 0 | 0 | 0 | 0 | 115 | T93 M435 | T93-S95 PolarHBondContact O-N 2.75Å; T93-S95 VanDerWaalsContact O-N 3.14Å; S95-M435 WeakPolarHBondContact OG-CE 3.43Å |
| 96 | D | 92.3 | Very high | 93.5 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -89.6 | 158.6 | -172.9 | -58.4 | -29.2 | 0 | 0 | 0 | 111 | K89 T93 V98 L429 K431 | K89-D96 WeakPolarHBondContact CE-O 3.22Å; K89-D96 PolarHBondContact NZ-O 3.22Å; T93-D96 WeakPolarHBondContact CA-OD2 3.34Å; T93-D96 WeakPolarHBondContact O-CB 3.29Å; T93-D96 PolarHBondContact O-N 3.02Å; D96-V98 HydrophobicContact CB-CG2 4.25Å; D96-L429 HydrophobicContact CB-CD2 4.34Å; D96-K431 IonicContact OD1-NZ 3.94Å; D96-K431 PolarHBondContact OD1-NZ 3.39Å; D96-K431 IonicContact OD2-NZ 3.75Å; D96-K431 PolarHBondContact OD2-NZ 3.34Å |
| 97 | T | 95.8 | Very high | 93.5 | Very high | 78 Ų | 78 | 46 Ų | 46 | 48% | 0.479 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 117.9 | 169.5 | -58.6 | 0 | 0 | 0 | 0 | 108.4 | Y99 L429 I430 | T97-Y99 HydrophobicContact CG2-CD1 3.88Å; T97-Y99 HydrophobicContact CG2-CE1 4.06Å; T97-L429 WeakPolarHBondContact O-CA 3.36Å; T97-I430 PolarHBondContact N-O 3Å; T97-I430 VanDerWaalsContact N-O 3.09Å; T97-I430 PolarHBondContact O-N 3.18Å |
| 98 | V | 96.9 | Very high | 93.7 | Very high | 25 Ų | 25 | 43.2 Ų | 43.2 | 15% | 0.152 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 123.7 | -177.3 | -162.6 | 0 | 0 | 0 | 0 | 109.4 | V87 K89 D96 C428 L429 | V87-V98 HydrophobicContact CG2-CB 4.03Å; V87-V98 HydrophobicContact CG2-CG1 3.44Å; V87-V98 VanDerWaalsContact CG2-CG1 3.44Å; V87-V98 PolarHBondContact N-O 3.13Å; K89-V98 HydrophobicContact CD-CG2 4.26Å; K89-V98 HydrophobicContact CG-CB 4.26Å; K89-V98 HydrophobicContact CG-CG2 3.99Å; D96-V98 HydrophobicContact CB-CG2 4.25Å; V98-C428 WeakPolarHBondContact CA-O 3.21Å; V98-L429 HydrophobicContact CG2-CG 4.24Å |
| 99 | Y | 98.2 | Very high | 94 | Very high | 47 Ų | 47 | 36 Ų | 36 | 18% | 0.184 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 165.5 | -177.5 | 65.5 | -79.4 | 0 | 0 | 0 | 111.8 | P84 R85 T97 Q101 C428 I430 | P84-Y99 HydrophobicContact CB-CD2 3.61Å; P84-Y99 HydrophobicContact CB-CE2 4Å; P84-Y99 HydrophobicContact CB-CG 4.29Å; P84-Y99 HydrophobicContact CG-CD2 4.49Å; P84-Y99 HydrophobicContact CG-CE2 4.43Å; R85-Y99 CarbonylContact O-C 3.47Å; R85-Y99 WeakPolarHBondContact O-CA 2.88Å; R85-Y99 WeakPolarHBondContact O-CB 3.46Å; T97-Y99 HydrophobicContact CG2-CD1 3.88Å; T97-Y99 HydrophobicContact CG2-CE1 4.06Å; Y99-Q101 HydrophobicContact CD2-CB 4.29Å; Y99-Q101 HydrophobicContact CE2-CB 3.9Å; Y99-C428 HydrophobicContact CD1-CB 3.8Å; Y99-C428 HydrophobicContact CD2-CB 4.09Å; Y99-C428 HydrophobicContact CE1-CB 3.47Å; Y99-C428 VanDerWaalsContact CE1-CB 3.47Å; Y99-C428 HydrophobicContact CE2-CB 3.84Å; Y99-C428 HydrophobicContact CG-CB 4.1Å; Y99-C428 PolarHBondContact N-O 2.91Å; Y99-C428 WeakPolarHBondContact O-CB 3.46Å; Y99-C428 PolarHBondContact O-N 3.43Å; Y99-I430 HydrophobicContact CE1-CD1 3.85Å; Y99-I430 HydrophobicContact CE1-CG1 4.38Å |
| 100 | I | 98.8 | Very high | 94.5 | Very high | 50 Ų | 50 | 32.2 Ų | 32.2 | 26% | 0.256 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 130.3 | 169.6 | -63.8 | 165 | 0 | 0 | 0 | 108.4 | R85 V87 L425 R426 | R85-I100 HydrophobicContact CB-CB 4.25Å; R85-I100 PolarHBondContact N-O 3.43Å; R85-I100 PolarHBondContact O-N 2.92Å; V87-I100 HydrophobicContact CG1-CD1 3.62Å; V87-I100 HydrophobicContact CG1-CG1 3.77Å; I100-L425 HydrophobicContact CG2-CB 3.69Å; I100-L425 HydrophobicContact CG2-CD2 4.25Å; I100-L425 HydrophobicContact CG2-CG 4.43Å; I100-R426 CarbonylContact C-O 3.55Å; I100-R426 WeakPolarHBondContact CA-O 3.23Å |
| 101 | Q | 98.6 | Very high | 95.2 | Very high | 43 Ų | 43 | 28.2 Ų | 28.2 | 20% | 0.201 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 113.5 | 174.1 | -178.4 | 59.2 | 59.5 | 0 | 0 | 110 | A82 Y99 R426 | A82-Q101 PolarHBondContact O-NE2 3.39Å; Y99-Q101 HydrophobicContact CD2-CB 4.29Å; Y99-Q101 HydrophobicContact CE2-CB 3.9Å; Q101-R426 PolarHBondContact N-O 2.96Å; Q101-R426 WeakPolarHBondContact O-CB 3.37Å; Q101-R426 PolarHBondContact O-N 2.88Å |
| 102 | P | 98.8 | Very high | 95.9 | Very high | 11 Ų | 11 | 26.8 Ų | 26.8 | 7% | 0.071 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 133.3 | 167.3 | -19.6 | 33.2 | 0 | 0 | 0 | 110.9 | F419 H424 L425 | P102-F419 HydrophobicContact CB-CE1 3.71Å; P102-F419 HydrophobicContact CB-CZ 4Å; P102-F419 HydrophobicContact CG-CE1 4.1Å; P102-H424 WeakPolarHBondContact CA-O 3.44Å; P102-L425 HydrophobicContact CB-CD2 4.06Å; P102-L425 HydrophobicContact CG-CD2 3.96Å |
| 103 | E | 98.6 | Very high | 96.7 | Very high | 46 Ų | 46 | 24.4 Ų | 24.4 | 22% | 0.215 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 148 | 173 | 66.6 | -171.2 | 172 | 0 | 0 | 110.9 | S423 H424 R426 | E103-S423 CarbonylContact O-C 3.6Å; E103-S423 VanDerWaalsContact O-CA 3.32Å; E103-S423 WeakPolarHBondContact O-CA 3.43Å; E103-H424 HydrophobicContact CG-CB 3.88Å; E103-H424 PolarHBondContact N-O 2.87Å; E103-H424 PolarHBondContact O-N 2.94Å; E103-H424 IonicContact OE1-CE1 3.25Å; E103-H424 IonicContact OE1-CG 3.21Å; E103-H424 IonicContact OE1-ND1 2.82Å; E103-H424 PolarHBondContact OE1-ND1 2.92Å; E103-R426 WeakPolarHBondContact OE1-CD 3.5Å; E103-R426 IonicContact OE1-NH1 2.71Å; E103-R426 IonicContact OE2-CZ 3.24Å; E103-R426 IonicContact OE2-NE 3.24Å; E103-R426 IonicContact OE2-NH1 2.87Å; E103-R426 PolarHBondContact OE2-NH1 3.12Å |
| 104 | P | 98.8 | Very high | 97.2 | Very high | 16 Ų | 16 | 25 Ų | 25 | 10% | 0.104 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 143.8 | 177.3 | 25.6 | -34.2 | 0 | 0 | 0 | 110.8 | F15 A131 G132 | F15-P104 HydrophobicContact CE2-CB 3.92Å; F15-P104 HydrophobicContact CE2-CG 4.02Å; F15-P104 HydrophobicContact CZ-CB 4.18Å; F15-P104 HydrophobicContact CZ-CG 4.07Å; P104-A131 WeakPolarHBondContact CB-O 3.47Å; P104-G132 WeakPolarHBondContact CB-O 3.41Å |
| 105 | L | 98.9 | Very high | 97.7 | Very high | 45 Ų | 45 | 23.3 Ų | 23.3 | 24% | 0.236 | 13% | 0.128 | C | C | . | . | trans | -70.8 | -42.3 | 176.1 | -65.8 | 168.7 | 0 | 0 | 0 | 111.7 | N133 D182 Y183 H424 | L105-N133 PolarHBondContact N-OD1 2.94Å; L105-D182 HydrophobicContact CB-CB 4.23Å; L105-D182 WeakPolarHBondContact O-CB 3.35Å; L105-Y183 HydrophobicContact CD1-CD2 3.45Å; L105-Y183 VanDerWaalsContact CD1-CD2 3.45Å; L105-Y183 HydrophobicContact CD1-CE2 4.31Å; L105-Y183 HydrophobicContact CD1-CG 3.93Å; L105-H424 HydrophobicContact CD2-CB 3.9Å | ||
| 106 | G | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 142.5 | -115.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F15 N133 A134 | F15-G106 VanDerWaalsContact CZ-CA 3.49Å; G106-N133 PolarHBondContact N-OD1 3.25Å; G106-N133 WeakPolarHBondContact O-CA 3.11Å; G106-N133 WeakPolarHBondContact O-CB 3.26Å; G106-A134 PolarHBondContact O-N 3.07Å |
| 107 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 118.9 | 177.3 | -173 | 65.6 | 0 | 0 | 0 | 110.9 | V8 A11 A134 V136 F181 D182 Y183 | V8-L107 HydrophobicContact CB-CD2 4.43Å; V8-L107 HydrophobicContact CG1-CD2 3.74Å; A11-L107 HydrophobicContact CB-CD1 3.44Å; A11-L107 VanDerWaalsContact CB-CD1 3.44Å; A11-L107 HydrophobicContact CB-CD2 4.49Å; L107-A134 HydrophobicContact CD1-CB 3.54Å; L107-V136 HydrophobicContact CD1-CG2 4.22Å; L107-V136 HydrophobicContact CD2-CG2 4.47Å; L107-F181 HydrophobicContact CB-CD1 4.39Å; L107-F181 HydrophobicContact CD2-CD1 3.81Å; L107-F181 HydrophobicContact CD2-CE1 3.7Å; L107-F181 HydrophobicContact CG-CD1 3.71Å; L107-F181 HydrophobicContact CG-CE1 3.85Å; L107-D182 PolarHBondContact N-OD2 2.83Å; L107-D182 PolarHBondContact O-N 2.93Å; L107-Y183 PolarHBondContact O-N 2.67Å |
| 108 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 137.7 | 176.8 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | I110 A128 N133 A134 A135 V136 Y183 L422 | V108-I110 HydrophobicContact CG1-CD1 4.49Å; V108-I110 HydrophobicContact CG1-CG1 3.87Å; V108-A128 HydrophobicContact CG2-CB 4.35Å; V108-N133 HydrophobicContact CG2-CB 3.71Å; V108-A134 PolarHBondContact N-O 2.91Å; V108-A135 HydrophobicContact CB-CB 4.27Å; V108-A135 CarbonylContact O-C 3.43Å; V108-A135 WeakPolarHBondContact O-CA 3.46Å; V108-V136 PolarHBondContact O-N 2.71Å; V108-Y183 CarbonylContact C-O 3.57Å; V108-Y183 WeakPolarHBondContact CA-O 3.18Å; V108-Y183 HydrophobicContact CG1-CD1 4.44Å; V108-L422 HydrophobicContact CG1-CD2 4.07Å; V108-L422 HydrophobicContact CG2-CD2 4.17Å |
| 109 | L | 98.9 | Very high | 98.7 | 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 | -97.7 | 128 | 163.9 | 179.3 | 56.7 | 0 | 0 | 0 | 109 | I111 V136 L176 L177 F181 Y183 I184 F185 | L109-I111 HydrophobicContact CD1-CG1 4.3Å; L109-I111 HydrophobicContact CD2-CD1 3.89Å; L109-I111 HydrophobicContact CD2-CG1 4.19Å; L109-I111 HydrophobicContact CG-CD1 4.19Å; L109-I111 HydrophobicContact CG-CG1 3.97Å; L109-V136 HydrophobicContact CD1-CB 4.13Å; L109-V136 HydrophobicContact CD1-CG1 4.21Å; L109-L176 HydrophobicContact CD1-CD1 4.33Å; L109-L177 HydrophobicContact CD2-CD2 3.99Å; L109-F181 HydrophobicContact CB-CB 4.48Å; L109-F181 HydrophobicContact CB-CD1 3.6Å; L109-F181 HydrophobicContact CB-CD2 3.97Å; L109-F181 HydrophobicContact CB-CE1 3.67Å; L109-F181 HydrophobicContact CB-CE2 4.03Å; L109-F181 HydrophobicContact CB-CG 3.75Å; L109-F181 HydrophobicContact CB-CZ 3.88Å; L109-F181 HydrophobicContact CD1-CE1 4.22Å; L109-F181 HydrophobicContact CD1-CE2 4.36Å; L109-F181 HydrophobicContact CD1-CZ 3.88Å; L109-F181 HydrophobicContact CD2-CD2 4.04Å; L109-F181 HydrophobicContact CD2-CE2 3.74Å; L109-F181 HydrophobicContact CD2-CZ 4.11Å; L109-F181 HydrophobicContact CG-CE1 4.4Å; L109-F181 HydrophobicContact CG-CE2 4.26Å; L109-F181 HydrophobicContact CG-CZ 4.17Å; L109-Y183 PolarHBondContact N-O 3.09Å; L109-I184 HydrophobicContact CB-CB 4.47Å; L109-I184 HydrophobicContact CB-CG1 4.1Å; L109-I184 HydrophobicContact CB-CG2 4.29Å; L109-I184 HydrophobicContact CD2-CG1 4.37Å; L109-I184 HydrophobicContact CD2-CG2 4.21Å; L109-I184 HydrophobicContact CG-CG2 4.39Å; L109-F185 PolarHBondContact O-N 2.95Å |
| 110 | I | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 112.4 | 175.8 | -58.3 | 169.9 | 0 | 0 | 0 | 108.3 | V108 P124 L125 A128 A135 V136 K138 F185 | V108-I110 HydrophobicContact CG1-CD1 4.49Å; V108-I110 HydrophobicContact CG1-CG1 3.87Å; I110-P124 HydrophobicContact CD1-CB 4.22Å; I110-P124 HydrophobicContact CG1-CB 4.42Å; I110-P124 HydrophobicContact CG2-CB 4.06Å; I110-P124 HydrophobicContact CG2-CG 4.42Å; I110-L125 VanDerWaalsContact CD1-CA 3.48Å; I110-L125 HydrophobicContact CD1-CB 3.79Å; I110-L125 HydrophobicContact CD1-CD1 4.07Å; I110-A128 HydrophobicContact CD1-CB 4.37Å; I110-A135 HydrophobicContact CD1-CB 4.02Å; I110-V136 PolarHBondContact N-O 3.05Å; I110-K138 PolarHBondContact O-N 2.77Å; I110-F185 HydrophobicContact CG1-CB 4.39Å |
| 111 | I | 98.9 | Very high | 98.7 | Very high | 7 Ų | 7 | 12.7 Ų | 12.7 | 4% | 0.036 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 107.6 | 176.4 | -60.6 | 163.2 | 0 | 0 | 0 | 108.2 | L109 K138 T173 L177 I184 F185 Y186 T187 I196 | L109-I111 HydrophobicContact CD1-CG1 4.3Å; L109-I111 HydrophobicContact CD2-CD1 3.89Å; L109-I111 HydrophobicContact CD2-CG1 4.19Å; L109-I111 HydrophobicContact CG-CD1 4.19Å; L109-I111 HydrophobicContact CG-CG1 3.97Å; I111-K138 WeakPolarHBondContact CA-O 3.22Å; I111-K138 HydrophobicContact CG1-CB 4.21Å; I111-K138 HydrophobicContact CG1-CD 4.47Å; I111-K138 HydrophobicContact CG2-CD 4Å; I111-T173 HydrophobicContact CD1-CG2 4.25Å; I111-L177 HydrophobicContact CD1-CD2 4.31Å; I111-I184 HydrophobicContact CD1-CG2 4.5Å; I111-F185 PolarHBondContact N-O 3.01Å; I111-Y186 HydrophobicContact CB-CD2 3.86Å; I111-Y186 HydrophobicContact CG2-CD2 3.63Å; I111-Y186 HydrophobicContact CG2-CE2 3.93Å; I111-T187 PolarHBondContact O-N 3.12Å; I111-T187 VanDerWaalsContact O-N 3.1Å; I111-I196 HydrophobicContact CD1-CD1 3.95Å |
| 112 | G | 98.6 | Very high | 98.7 | Very high | 4 Ų | 4 | 10.6 Ų | 10.6 | 4% | 0.041 | 6% | 0.057 | C | C | . | . | trans | -81.8 | 155.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T121 K138 | G112-T121 WeakPolarHBondContact CA-OG1 3.26Å; G112-K138 PolarHBondContact N-O 3.34Å | ||
| 113 | A | 98.6 | Very high | 98.7 | Very high | 8 Ų | 8 | 10.5 Ų | 10.5 | 7% | 0.066 | 6% | 0.055 | C | C | . | . | trans | -91.7 | 173.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P117 V120 T187 | A113-P117 WeakPolarHBondContact O-CA 3.35Å; A113-V120 HydrophobicContact CB-CG2 3.95Å; A113-T187 HydrophobicContact CB-CG2 4Å | ||
| 114 | W | 98.6 | Very high | 98.7 | Very high | 33 Ų | 33 | 8.3 Ų | 8.3 | 13% | 0.125 | 5% | 0.045 | C | C | . | . | S | Bend | trans | -95.3 | -19 | -173.6 | 51.3 | -98.4 | 0 | 0 | 0 | 114.6 | L52 P117 V142 C143 Q242 I286 H290 F336 | L52-W114 HydrophobicContact CD2-CE3 4.35Å; L52-W114 HydrophobicContact CD2-CZ3 4.38Å; W114-P117 VanDerWaalsContact O-CD 3.31Å; W114-P117 WeakPolarHBondContact O-CD 3.19Å; W114-V142 HydrophobicContact CB-CB 3.85Å; W114-V142 HydrophobicContact CB-CG1 4.19Å; W114-V142 HydrophobicContact CD2-CG1 4.49Å; W114-V142 HydrophobicContact CG-CB 4.02Å; W114-V142 HydrophobicContact CG-CG1 4.06Å; W114-C143 HydrophobicContact CB-CB 4.47Å; W114-C143 VanDerWaalsContact CB-SG 3.59Å; W114-C143 PolarHBondContact O-SG 2.97Å; W114-Q242 HydrophobicContact CH2-CB 4.1Å; W114-Q242 HydrophobicContact CH2-CG 4.1Å; W114-Q242 HydrophobicContact CZ3-CB 4Å; W114-Q242 HydrophobicContact CZ3-CG 4.19Å; W114-I286 HydrophobicContact CD2-CB 4.48Å; W114-I286 HydrophobicContact CD2-CG1 4.17Å; W114-I286 HydrophobicContact CD2-CG2 4.32Å; W114-I286 HydrophobicContact CE3-CB 3.75Å; W114-I286 HydrophobicContact CE3-CD1 4.3Å; W114-I286 HydrophobicContact CE3-CG1 3.71Å; W114-I286 HydrophobicContact CE3-CG2 3.92Å; W114-I286 HydrophobicContact CH2-CB 4.08Å; W114-I286 HydrophobicContact CH2-CG2 3.48Å; W114-I286 VanDerWaalsContact CH2-CG2 3.48Å; W114-I286 HydrophobicContact CZ2-CG2 3.95Å; W114-I286 HydrophobicContact CZ3-CB 3.54Å; W114-I286 HydrophobicContact CZ3-CG1 4.06Å; W114-I286 HydrophobicContact CZ3-CG2 3.5Å; W114-H290 AromaticContact CZ2-CE1 3.89Å; W114-H290 AromaticContact CZ2-NE2 3.97Å; W114-F336 AromaticContact CH2-CD1 3.53Å; W114-F336 HydrophobicContact CH2-CD1 3.53Å; W114-F336 AromaticContact CH2-CE1 3.28Å; W114-F336 HydrophobicContact CH2-CE1 3.28Å; W114-F336 AromaticContact CZ2-CD1 3.75Å; W114-F336 HydrophobicContact CZ2-CD1 3.75Å; W114-F336 AromaticContact CZ2-CE1 3.43Å; W114-F336 HydrophobicContact CZ2-CE1 3.43Å; W114-F336 VanDerWaalsContact CZ2-CE1 3.43Å; W114-F336 AromaticContact CZ3-CE1 3.99Å; W114-F336 HydrophobicContact CZ3-CE1 3.99Å |
| 115 | N | 98.4 | Very high | 98.7 | Very high | 4 Ų | 4 | 7.6 Ų | 7.6 | 2% | 0.021 | 4% | 0.04 | C | C | . | . | S | Bend | trans | -79.7 | -31.5 | -167.2 | 63.9 | -46.4 | 0 | 0 | 0 | 114.3 | L52 N239 Q242 F336 | L52-N115 VanDerWaalsContact CD1-O 3.31Å; L52-N115 WeakPolarHBondContact CD1-O 3.46Å; N115-N239 PolarHBondContact O-ND2 3.01Å; N115-Q242 HydrophobicContact CB-CB 4.43Å; N115-Q242 VanDerWaalsContact CB-O 3.25Å; N115-Q242 WeakPolarHBondContact CB-O 3.49Å; N115-Q242 PolarHBondContact ND2-O 2.76Å; N115-F336 HydrophobicContact CB-CE1 3.92Å; N115-F336 HydrophobicContact CB-CZ 3.91Å; N115-F336 WeakPolarHBondContact ND2-CZ 3.37Å |
| 116 | Y | 98.6 | Very high | 98.7 | Very high | 21 Ų | 21 | 5.6 Ų | 5.6 | 8% | 0.082 | 3% | 0.03 | C | C | . | . | S | Bend | trans | -132.3 | 68.3 | 166.2 | -64 | -89.9 | 0 | 0 | 0 | 108.5 | F62 E63 W118 A119 V120 N239 T243 | F62-Y116 HydrophobicContact CB-CD1 4.28Å; F62-Y116 HydrophobicContact CB-CE1 3.92Å; E63-Y116 VanDerWaalsContact OE1-CA 3.28Å; E63-Y116 WeakPolarHBondContact OE1-CA 3.43Å; E63-Y116 VanDerWaalsContact OE2-CA 3.26Å; E63-Y116 WeakPolarHBondContact OE2-CA 3.26Å; E63-Y116 WeakPolarHBondContact OE2-CB 3.37Å; Y116-W118 PolarHBondContact O-N 2.98Å; Y116-W118 VanDerWaalsContact O-N 3.12Å; Y116-A119 PolarHBondContact O-N 2.89Å; Y116-A119 VanDerWaalsContact O-N 3.12Å; Y116-V120 WeakPolarHBondContact O-CG2 3.37Å; Y116-V120 PolarHBondContact O-N 3.35Å; Y116-N239 HydrophobicContact CE1-CB 4.32Å; Y116-N239 WeakPolarHBondContact OH-CB 3.4Å; Y116-T243 HydrophobicContact CE2-CG2 3.74Å; Y116-T243 WeakPolarHBondContact CE2-OG1 3.48Å; Y116-T243 PolarHBondContact OH-OG1 3.41Å |
| 117 | P | 98.5 | Very high | 98.7 | Very high | 4 Ų | 4 | 5.7 Ų | 5.7 | 3% | 0.026 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -33 | -157.7 | 23.6 | -32.5 | 0 | 0 | 0 | 112.2 | I48 E63 A113 W114 T121 C143 T146 M150 | I48-P117 HydrophobicContact CG1-CG 4.48Å; E63-P117 WeakPolarHBondContact OE1-CD 3.35Å; A113-P117 WeakPolarHBondContact O-CA 3.35Å; W114-P117 VanDerWaalsContact O-CD 3.31Å; W114-P117 WeakPolarHBondContact O-CD 3.19Å; P117-T121 WeakPolarHBondContact O-CB 3.43Å; P117-T121 PolarHBondContact O-OG1 2.96Å; P117-C143 HydrophobicContact CB-CB 4.31Å; P117-C143 HydrophobicContact CG-CB 4.46Å; P117-T146 HydrophobicContact CB-CG2 3.68Å; P117-T146 HydrophobicContact CG-CG2 3.64Å; P117-M150 VanDerWaalsContact O-CE 3.29Å; P117-M150 WeakPolarHBondContact O-CE 3.23Å |
| 118 | W | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -50 | 174.5 | -75.5 | 89.1 | 0 | 0 | 0 | 112.3 | L36 F37 I44 E63 L67 Y116 V120 T121 I122 T146 V149 M150 | L36-W118 HydrophobicContact CD2-CH2 4.1Å; L36-W118 HydrophobicContact CD2-CZ3 3.9Å; F37-W118 HydrophobicContact CE1-CD2 4.41Å; F37-W118 AromaticContact CE1-CE3 3.64Å; F37-W118 HydrophobicContact CE1-CE3 3.64Å; F37-W118 AromaticContact CE1-CZ3 4Å; F37-W118 HydrophobicContact CE1-CZ3 4Å; F37-W118 HydrophobicContact CZ-CE3 4.2Å; I44-W118 HydrophobicContact CD1-CH2 4.46Å; I44-W118 HydrophobicContact CD1-CZ2 4.35Å; I44-W118 HydrophobicContact CG1-CH2 4.29Å; I44-W118 HydrophobicContact CG1-CZ2 3.76Å; I44-W118 HydrophobicContact CG2-CD2 4.45Å; I44-W118 HydrophobicContact CG2-CG 4.4Å; E63-W118 HydrophobicContact CB-CB 4.34Å; E63-W118 PolarHBondContact OE2-N 3.31Å; L67-W118 HydrophobicContact CD1-CB 4.28Å; Y116-W118 PolarHBondContact O-N 2.98Å; Y116-W118 VanDerWaalsContact O-N 3.12Å; W118-V120 PolarHBondContact O-N 2.93Å; W118-T121 PolarHBondContact O-N 3.04Å; W118-I122 HydrophobicContact CE3-CD1 4.24Å; W118-I122 HydrophobicContact CE3-CG1 3.6Å; W118-I122 HydrophobicContact CZ3-CD1 4.28Å; W118-I122 HydrophobicContact CZ3-CG1 4.09Å; W118-I122 WeakPolarHBondContact O-CB 3.3Å; W118-I122 WeakPolarHBondContact O-CG1 3.32Å; W118-I122 PolarHBondContact O-N 3.32Å; W118-T146 HydrophobicContact CG-CG2 4.48Å; W118-T146 VanDerWaalsContact NE1-CG2 3.25Å; W118-V149 HydrophobicContact CZ2-CB 4.43Å; W118-V149 HydrophobicContact CZ2-CG1 3.85Å; W118-M150 HydrophobicContact CB-CE 4.12Å; W118-M150 HydrophobicContact CD2-CE 3.31Å; W118-M150 HydrophobicContact CD2-CG 4.31Å; W118-M150 HydrophobicContact CE3-CE 3.65Å; W118-M150 HydrophobicContact CE3-CG 4.25Å; W118-M150 HydrophobicContact CG-CE 3.54Å; W118-M150 HydrophobicContact CH2-CB 4.32Å; W118-M150 HydrophobicContact CH2-CE 4.41Å; W118-M150 HydrophobicContact CH2-CG 3.45Å; W118-M150 VanDerWaalsContact CH2-CG 3.45Å; W118-M150 HydrophobicContact CZ2-CE 4.12Å; W118-M150 HydrophobicContact CZ2-CG 3.49Å; W118-M150 VanDerWaalsContact CZ2-CG 3.49Å; W118-M150 HydrophobicContact CZ3-CE 4.19Å; W118-M150 HydrophobicContact CZ3-CG 3.84Å |
| 119 | A | 98.3 | Very high | 98.7 | Very high | 7 Ų | 7 | 5.7 Ų | 5.7 | 6% | 0.058 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -56.7 | -52.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E63 Y116 T121 Q123 | E63-A119 PolarHBondContact OE2-N 3.09Å; Y116-A119 PolarHBondContact O-N 2.89Å; Y116-A119 VanDerWaalsContact O-N 3.12Å; A119-T121 VanDerWaalsContact C-N 3.28Å; A119-T121 PolarHBondContact O-N 3.22Å; A119-Q123 WeakPolarHBondContact O-CB 3.5Å; A119-Q123 PolarHBondContact O-N 3.44Å |
| 120 | V | 98.4 | Very high | 98.7 | Very high | 14 Ų | 14 | 5.8 Ų | 5.8 | 9% | 0.085 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -77.6 | -12.7 | -174 | -53.3 | 0 | 0 | 0 | 0 | 113.9 | A113 Y116 W118 P124 T187 | A113-V120 HydrophobicContact CB-CG2 3.95Å; Y116-V120 WeakPolarHBondContact O-CG2 3.37Å; Y116-V120 PolarHBondContact O-N 3.35Å; W118-V120 PolarHBondContact O-N 2.93Å; V120-P124 WeakPolarHBondContact O-CD 3.44Å; V120-P124 WeakPolarHBondContact O-CG 3.42Å; V120-T187 HydrophobicContact CB-CG2 4.09Å; V120-T187 HydrophobicContact CG1-CG2 4.22Å; V120-T187 HydrophobicContact CG2-CG2 4.42Å |
| 121 | T | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 5.8 Ų | 5.8 | 1% | 0.006 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -95.8 | -44 | 176.9 | -54 | 0 | 0 | 0 | 0 | 111 | G112 P117 W118 A119 V137 M150 | G112-T121 WeakPolarHBondContact CA-OG1 3.26Å; P117-T121 WeakPolarHBondContact O-CB 3.43Å; P117-T121 PolarHBondContact O-OG1 2.96Å; W118-T121 PolarHBondContact O-N 3.04Å; A119-T121 VanDerWaalsContact C-N 3.28Å; A119-T121 PolarHBondContact O-N 3.22Å; T121-V137 HydrophobicContact CG2-CG1 3.41Å; T121-V137 VanDerWaalsContact CG2-CG1 3.41Å; T121-M150 HydrophobicContact CG2-SD 4.26Å |
| 122 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -87.4 | -29.9 | -173.1 | -56.5 | -53.5 | 0 | 0 | 0 | 112.5 | L33 F37 L67 W118 L125 I126 L154 | L33-I122 HydrophobicContact CD1-CG2 4.21Å; L33-I122 HydrophobicContact CD2-CG2 3.69Å; L33-I122 HydrophobicContact CG-CG2 4.28Å; F37-I122 HydrophobicContact CE2-CG2 4.24Å; F37-I122 HydrophobicContact CZ-CB 4.33Å; F37-I122 HydrophobicContact CZ-CG1 4.3Å; F37-I122 HydrophobicContact CZ-CG2 3.83Å; L67-I122 HydrophobicContact CD1-CB 3.91Å; L67-I122 HydrophobicContact CD1-CG2 4.26Å; L67-I122 HydrophobicContact CD2-CB 4.12Å; L67-I122 HydrophobicContact CD2-CG2 4.32Å; W118-I122 HydrophobicContact CE3-CD1 4.24Å; W118-I122 HydrophobicContact CE3-CG1 3.6Å; W118-I122 HydrophobicContact CZ3-CD1 4.28Å; W118-I122 HydrophobicContact CZ3-CG1 4.09Å; W118-I122 WeakPolarHBondContact O-CB 3.3Å; W118-I122 WeakPolarHBondContact O-CG1 3.32Å; W118-I122 PolarHBondContact O-N 3.32Å; I122-L125 HydrophobicContact CD1-CD2 3.96Å; I122-L125 CarbonylContact O-C 3.52Å; I122-L125 WeakPolarHBondContact O-CA 3.38Å; I122-L125 WeakPolarHBondContact O-CB 3.34Å; I122-L125 PolarHBondContact O-N 2.91Å; I122-I126 HydrophobicContact CG2-CD1 4.11Å; I122-I126 HydrophobicContact CG2-CG1 4.13Å; I122-I126 WeakPolarHBondContact O-CG1 3.27Å; I122-I126 PolarHBondContact O-N 3.31Å; I122-L154 HydrophobicContact CD1-CD1 4.13Å; I122-L154 HydrophobicContact CD1-CD2 4.2Å |
| 123 | Q | 98.7 | Very high | 98.7 | Very high | 9 Ų | 9 | 5.2 Ų | 5.2 | 4% | 0.042 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -61.5 | -42.6 | 178.1 | -164.1 | 179.2 | 10.2 | 0 | 0 | 112.7 | L67 E70 A119 L125 I126 G127 Y413 H414 | L67-Q123 HydrophobicContact CD2-CB 3.64Å; L67-Q123 HydrophobicContact CD2-CG 4.33Å; E70-Q123 HydrophobicContact CG-CG 4.19Å; A119-Q123 WeakPolarHBondContact O-CB 3.5Å; A119-Q123 PolarHBondContact O-N 3.44Å; Q123-L125 VanDerWaalsContact C-N 3.32Å; Q123-L125 PolarHBondContact O-N 2.54Å; Q123-I126 PolarHBondContact O-N 2.64Å; Q123-G127 PolarHBondContact O-N 2.83Å; Q123-Y413 HydrophobicContact CB-CE2 3.9Å; Q123-Y413 HydrophobicContact CG-CD2 4.26Å; Q123-Y413 HydrophobicContact CG-CE2 3.67Å; Q123-Y413 PolarHBondContact OE1-OH 2.84Å; Q123-H414 PolarHBondContact NE2-CD2 2.81Å; Q123-H414 PolarHBondContact NE2-CE1 3.33Å; Q123-H414 VanDerWaalsContact NE2-CE1 3.27Å; Q123-H414 VanDerWaalsContact NE2-CG 3.28Å; Q123-H414 PolarHBondContact NE2-ND1 2.85Å; Q123-H414 PolarHBondContact NE2-NE2 3.29Å; Q123-H414 PolarHBondContact OE1-NE2 3.39Å |
| 124 | P | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -63.9 | -33.9 | 169 | -22.8 | 35.2 | 0 | 0 | 0 | 113.4 | I110 V120 G127 A128 F185 Y413 | I110-P124 HydrophobicContact CD1-CB 4.22Å; I110-P124 HydrophobicContact CG1-CB 4.42Å; I110-P124 HydrophobicContact CG2-CB 4.06Å; I110-P124 HydrophobicContact CG2-CG 4.42Å; V120-P124 WeakPolarHBondContact O-CD 3.44Å; V120-P124 WeakPolarHBondContact O-CG 3.42Å; P124-G127 WeakPolarHBondContact O-CA 3.49Å; P124-G127 PolarHBondContact O-N 3.24Å; P124-A128 PolarHBondContact O-N 3.37Å; P124-F185 HydrophobicContact CB-CD1 3.84Å; P124-F185 HydrophobicContact CB-CD2 3.94Å; P124-F185 HydrophobicContact CB-CE1 3.97Å; P124-F185 HydrophobicContact CB-CE2 4.03Å; P124-F185 HydrophobicContact CB-CG 3.85Å; P124-F185 HydrophobicContact CB-CZ 4.07Å; P124-F185 HydrophobicContact CG-CD1 3.64Å; P124-F185 HydrophobicContact CG-CD2 4.34Å; P124-F185 HydrophobicContact CG-CE1 3.34Å; P124-F185 HydrophobicContact CG-CE2 4.07Å; P124-F185 HydrophobicContact CG-CG 4.16Å; P124-F185 HydrophobicContact CG-CZ 3.58Å; P124-Y413 HydrophobicContact CG-CD2 4.38Å; P124-Y413 HydrophobicContact CG-CE2 4.19Å |
| 125 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 3.3 Ų | 3.3 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -65.9 | -40.7 | 177.7 | 179.5 | 63.4 | 0 | 0 | 0 | 111.9 | I110 I122 Q123 G127 A128 I129 A135 V137 I158 Y163 | I110-L125 VanDerWaalsContact CD1-CA 3.48Å; I110-L125 HydrophobicContact CD1-CB 3.79Å; I110-L125 HydrophobicContact CD1-CD1 4.07Å; I122-L125 HydrophobicContact CD1-CD2 3.96Å; I122-L125 CarbonylContact O-C 3.52Å; I122-L125 WeakPolarHBondContact O-CA 3.38Å; I122-L125 WeakPolarHBondContact O-CB 3.34Å; I122-L125 PolarHBondContact O-N 2.91Å; Q123-L125 VanDerWaalsContact C-N 3.32Å; Q123-L125 PolarHBondContact O-N 2.54Å; L125-G127 VanDerWaalsContact C-N 3.25Å; L125-G127 PolarHBondContact O-N 2.65Å; L125-A128 PolarHBondContact O-N 3.18Å; L125-A128 VanDerWaalsContact O-N 3.15Å; L125-I129 HydrophobicContact CD1-CD1 4.15Å; L125-I129 HydrophobicContact CD1-CG1 4.17Å; L125-I129 HydrophobicContact CG-CD1 3.89Å; L125-I129 HydrophobicContact CG-CG1 4.35Å; L125-I129 VanDerWaalsContact O-CG1 3.29Å; L125-I129 WeakPolarHBondContact O-CG1 3.43Å; L125-I129 PolarHBondContact O-N 3.3Å; L125-A135 HydrophobicContact CD1-CB 3.73Å; L125-V137 HydrophobicContact CD1-CG2 4.05Å; L125-V137 HydrophobicContact CD2-CG2 3.98Å; L125-I158 HydrophobicContact CD2-CD1 4.05Å; L125-Y163 HydrophobicContact CD1-CD1 4.05Å |
| 126 | I | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 3.1 Ų | 3.1 | 2% | 0.021 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -55.3 | -46.1 | 172.5 | -69.3 | 161.3 | 0 | 0 | 0 | 109.6 | L30 L33 L67 E70 I71 A74 I122 Q123 A130 | L30-I126 HydrophobicContact CD2-CB 4.41Å; L30-I126 HydrophobicContact CD2-CG2 3.93Å; L33-I126 HydrophobicContact CD2-CG1 3.78Å; L67-I126 HydrophobicContact CB-CD1 4.23Å; L67-I126 HydrophobicContact CD2-CD1 3.9Å; E70-I126 HydrophobicContact CB-CD1 4.16Å; I71-I126 HydrophobicContact CD1-CD1 4.1Å; I71-I126 HydrophobicContact CD1-CG1 4.39Å; I71-I126 HydrophobicContact CG1-CD1 3.58Å; I71-I126 HydrophobicContact CG1-CG1 3.77Å; I71-I126 HydrophobicContact CG1-CG2 4.4Å; A74-I126 HydrophobicContact CB-CG2 4.2Å; I122-I126 HydrophobicContact CG2-CD1 4.11Å; I122-I126 HydrophobicContact CG2-CG1 4.13Å; I122-I126 WeakPolarHBondContact O-CG1 3.27Å; I122-I126 PolarHBondContact O-N 3.31Å; Q123-I126 PolarHBondContact O-N 2.64Å; I126-A130 VanDerWaalsContact O-CB 3.26Å; I126-A130 WeakPolarHBondContact O-CB 3.45Å; I126-A130 PolarHBondContact O-N 3.23Å |
| 127 | G | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 2.1 Ų | 2.1 | 3% | 0.031 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -58.3 | -48.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q123 P124 L125 A130 A131 | Q123-G127 PolarHBondContact O-N 2.83Å; P124-G127 WeakPolarHBondContact O-CA 3.49Å; P124-G127 PolarHBondContact O-N 3.24Å; L125-G127 VanDerWaalsContact C-N 3.25Å; L125-G127 PolarHBondContact O-N 2.65Å; G127-A130 PolarHBondContact O-N 3Å; G127-A131 WeakPolarHBondContact O-CB 3.33Å; G127-A131 PolarHBondContact O-N 3.36Å |
| 128 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 2.3 Ų | 2.3 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -62.4 | -44.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V108 I110 P124 L125 A131 G132 N133 A135 L422 | V108-A128 HydrophobicContact CG2-CB 4.35Å; I110-A128 HydrophobicContact CD1-CB 4.37Å; P124-A128 PolarHBondContact O-N 3.37Å; L125-A128 PolarHBondContact O-N 3.18Å; L125-A128 VanDerWaalsContact O-N 3.15Å; A128-A131 PolarHBondContact O-N 3.21Å; A128-G132 PolarHBondContact O-N 3.36Å; A128-N133 HydrophobicContact CB-CB 4.41Å; A128-N133 PolarHBondContact O-N 2.98Å; A128-N133 PolarHBondContact O-ND2 3.36Å; A128-A135 HydrophobicContact CB-CB 4.19Å; A128-L422 HydrophobicContact CB-CD1 4.01Å |
| 129 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -62 | -48.1 | 175.4 | -66.9 | 169 | 0 | 0 | 0 | 110 | R26 Q29 L30 L33 L125 A131 G132 Y163 | R26-I129 WeakPolarHBondContact CD-O 3.47Å; R26-I129 WeakPolarHBondContact CG-O 3.37Å; Q29-I129 HydrophobicContact CB-CG2 3.74Å; L30-I129 HydrophobicContact CD2-CB 4.18Å; L30-I129 HydrophobicContact CD2-CG2 3.92Å; L30-I129 HydrophobicContact CG-CG2 3.84Å; L33-I129 HydrophobicContact CD2-CD1 4.41Å; L125-I129 HydrophobicContact CD1-CD1 4.15Å; L125-I129 HydrophobicContact CD1-CG1 4.17Å; L125-I129 HydrophobicContact CG-CD1 3.89Å; L125-I129 HydrophobicContact CG-CG1 4.35Å; L125-I129 VanDerWaalsContact O-CG1 3.29Å; L125-I129 WeakPolarHBondContact O-CG1 3.43Å; L125-I129 PolarHBondContact O-N 3.3Å; I129-A131 VanDerWaalsContact C-N 3.32Å; I129-A131 PolarHBondContact O-N 3.48Å; I129-G132 WeakPolarHBondContact O-CA 3.28Å; I129-G132 PolarHBondContact O-N 3.44Å; I129-Y163 HydrophobicContact CD1-CE1 4.43Å; I129-Y163 HydrophobicContact CG1-CD1 4.15Å; I129-Y163 HydrophobicContact CG1-CE1 3.57Å; I129-Y163 HydrophobicContact CG1-CE2 4.33Å |
| 130 | A | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 2.6 Ų | 2.6 | 1% | 0.008 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R26 A74 L78 I126 G127 G132 F419 | R26-A130 WeakPolarHBondContact CD-O 3.25Å; R26-A130 PolarHBondContact NH1-O 3.28Å; A74-A130 HydrophobicContact CB-CB 4.43Å; L78-A130 HydrophobicContact CD1-CB 4.24Å; L78-A130 WeakPolarHBondContact CD1-O 3.43Å; I126-A130 VanDerWaalsContact O-CB 3.26Å; I126-A130 WeakPolarHBondContact O-CB 3.45Å; I126-A130 PolarHBondContact O-N 3.23Å; G127-A130 PolarHBondContact O-N 3Å; A130-G132 PolarHBondContact O-N 3.46Å; A130-F419 HydrophobicContact CB-CD2 4.2Å; A130-F419 WeakPolarHBondContact O-CE2 3.46Å |
| 131 | A | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 5.3 Ų | 5.3 | 1% | 0.008 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -71.7 | -14.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R26 P104 G127 A128 I129 N133 F419 L422 S423 | R26-A131 PolarHBondContact NH1-O 3.45Å; P104-A131 WeakPolarHBondContact CB-O 3.47Å; G127-A131 WeakPolarHBondContact O-CB 3.33Å; G127-A131 PolarHBondContact O-N 3.36Å; A128-A131 PolarHBondContact O-N 3.21Å; I129-A131 VanDerWaalsContact C-N 3.32Å; I129-A131 PolarHBondContact O-N 3.48Å; A131-N133 VanDerWaalsContact CB-ND2 3.34Å; A131-N133 WeakPolarHBondContact CB-ND2 3.47Å; A131-F419 HydrophobicContact CB-CD2 4.32Å; A131-L422 HydrophobicContact CB-CB 4.05Å; A131-L422 WeakPolarHBondContact CB-O 3.14Å; A131-S423 WeakPolarHBondContact CB-OG 3.26Å |
| 132 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.041 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | 18.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S20 P104 A128 I129 A130 | S20-G132 WeakPolarHBondContact CB-O 3.32Å; S20-G132 PolarHBondContact OG-O 2.93Å; P104-G132 WeakPolarHBondContact CB-O 3.41Å; A128-G132 PolarHBondContact O-N 3.36Å; I129-G132 WeakPolarHBondContact O-CA 3.28Å; I129-G132 PolarHBondContact O-N 3.44Å; A130-G132 PolarHBondContact O-N 3.46Å |
| 133 | N | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.041 | C | C | . | . | trans | -80.5 | 160.2 | 178.6 | -60 | -68.4 | 0 | 0 | 0 | 111.5 | L105 G106 V108 A128 A131 Y163 L422 | L105-N133 PolarHBondContact N-OD1 2.94Å; G106-N133 PolarHBondContact N-OD1 3.25Å; G106-N133 WeakPolarHBondContact O-CA 3.11Å; G106-N133 WeakPolarHBondContact O-CB 3.26Å; V108-N133 HydrophobicContact CG2-CB 3.71Å; A128-N133 HydrophobicContact CB-CB 4.41Å; A128-N133 PolarHBondContact O-N 2.98Å; A128-N133 PolarHBondContact O-ND2 3.36Å; A131-N133 VanDerWaalsContact CB-ND2 3.34Å; A131-N133 WeakPolarHBondContact CB-ND2 3.47Å; N133-Y163 WeakPolarHBondContact O-CE1 3.37Å; N133-L422 PolarHBondContact ND2-O 2.88Å | ||
| 134 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 156.3 | 152.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | A11 F15 G106 L107 V108 L162 | A11-A134 HydrophobicContact CB-CB 4.36Å; F15-A134 HydrophobicContact CB-CB 3.91Å; G106-A134 PolarHBondContact O-N 3.07Å; L107-A134 HydrophobicContact CD1-CB 3.54Å; V108-A134 PolarHBondContact N-O 2.91Å; A134-L162 CarbonylContact C-O 3.47Å; A134-L162 WeakPolarHBondContact CA-O 3.39Å; A134-L162 HydrophobicContact CB-CB 4.49Å; A134-L162 HydrophobicContact CB-CD2 3.76Å; A134-L162 WeakPolarHBondContact CB-O 3.42Å |
| 135 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 131.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V108 I110 L125 A128 L162 Y163 P164 | V108-A135 HydrophobicContact CB-CB 4.27Å; V108-A135 CarbonylContact O-C 3.43Å; V108-A135 WeakPolarHBondContact O-CA 3.46Å; I110-A135 HydrophobicContact CD1-CB 4.02Å; L125-A135 HydrophobicContact CD1-CB 3.73Å; A128-A135 HydrophobicContact CB-CB 4.19Å; A135-L162 PolarHBondContact N-O 3.1Å; A135-Y163 HydrophobicContact CB-CD1 4.23Å; A135-Y163 VanDerWaalsContact O-CA 3.24Å; A135-Y163 WeakPolarHBondContact O-CA 3.38Å; A135-P164 WeakPolarHBondContact O-CD 3.42Å |
| 136 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 121.1 | 165.5 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | V8 A11 L107 V108 L109 I110 P164 V166 L176 F181 | V8-V136 HydrophobicContact CG2-CG2 4.16Å; A11-V136 HydrophobicContact CB-CG2 4.43Å; L107-V136 HydrophobicContact CD1-CG2 4.22Å; L107-V136 HydrophobicContact CD2-CG2 4.47Å; V108-V136 PolarHBondContact O-N 2.71Å; L109-V136 HydrophobicContact CD1-CB 4.13Å; L109-V136 HydrophobicContact CD1-CG1 4.21Å; I110-V136 PolarHBondContact N-O 3.05Å; V136-P164 HydrophobicContact CG2-CG 4.09Å; V136-V166 HydrophobicContact CG1-CB 4.28Å; V136-V166 HydrophobicContact CG1-CG2 3.71Å; V136-L176 HydrophobicContact CG1-CD2 4.07Å; V136-F181 HydrophobicContact CB-CE1 4.02Å; V136-F181 HydrophobicContact CB-CZ 4.33Å; V136-F181 HydrophobicContact CG2-CE1 3.8Å; V136-F181 HydrophobicContact CG2-CZ 4.23Å |
| 137 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 121.7 | 179.7 | -176.5 | 0 | 0 | 0 | 0 | 109 | T121 L125 P139 P164 V165 V166 | T121-V137 HydrophobicContact CG2-CG1 3.41Å; T121-V137 VanDerWaalsContact CG2-CG1 3.41Å; L125-V137 HydrophobicContact CD1-CG2 4.05Å; L125-V137 HydrophobicContact CD2-CG2 3.98Å; V137-P139 HydrophobicContact CG1-CG 4.41Å; V137-P139 WeakPolarHBondContact O-CD 3.33Å; V137-P164 PolarHBondContact N-O 3.36Å; V137-V165 HydrophobicContact CB-CG2 4.38Å; V137-V165 WeakPolarHBondContact O-CA 3.35Å; V137-V166 PolarHBondContact O-N 3.21Å |
| 138 | K | 98.8 | Very high | 98.6 | Very high | 8 Ų | 8 | 19.8 Ų | 19.8 | 4% | 0.035 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 94.2 | 174.6 | -167.3 | -94.2 | 161 | 163.2 | 0 | 109.6 | I110 I111 G112 E141 V166 G168 T173 L176 | I110-K138 PolarHBondContact O-N 2.77Å; I111-K138 WeakPolarHBondContact CA-O 3.22Å; I111-K138 HydrophobicContact CG1-CB 4.21Å; I111-K138 HydrophobicContact CG1-CD 4.47Å; I111-K138 HydrophobicContact CG2-CD 4Å; G112-K138 PolarHBondContact N-O 3.34Å; K138-E141 IonicContact NZ-OE2 3.68Å; K138-E141 PolarHBondContact NZ-OE2 3.04Å; K138-V166 WeakPolarHBondContact CA-O 3.24Å; K138-V166 WeakPolarHBondContact CG-O 2.96Å; K138-G168 WeakPolarHBondContact CE-O 3.43Å; K138-G168 PolarHBondContact NZ-O 2.82Å; K138-T173 WeakPolarHBondContact CE-OG1 3.47Å; K138-T173 PolarHBondContact NZ-OG1 3.35Å; K138-L176 HydrophobicContact CB-CD1 4.22Å; K138-L176 HydrophobicContact CG-CD1 3.99Å |
| 139 | P | 98.7 | Very high | 98.6 | Very high | 4 Ų | 4 | 21 Ų | 21 | 3% | 0.026 | 11% | 0.111 | C | C | . | . | trans | -64 | 156.2 | 172.1 | -19.3 | 32.9 | 0 | 0 | 0 | 111.1 | V137 E141 A147 M150 V165 | V137-P139 HydrophobicContact CG1-CG 4.41Å; V137-P139 WeakPolarHBondContact O-CD 3.33Å; P139-E141 PolarHBondContact O-N 3.47Å; P139-A147 HydrophobicContact CB-CB 3.8Å; P139-M150 HydrophobicContact CB-SD 3.85Å; P139-M150 HydrophobicContact CG-CB 4.12Å; P139-M150 HydrophobicContact CG-SD 3.73Å; P139-V165 HydrophobicContact CG-CG1 3.82Å | ||
| 140 | S | 98.4 | Very high | 98.5 | Very high | 10 Ų | 10 | 21 Ų | 21 | 7% | 0.07 | 11% | 0.111 | C | C | . | . | trans | -68.5 | 130.2 | 173.7 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | V142 C143 | S140-V142 PolarHBondContact O-N 3.43Å; S140-V142 PolarHBondContact OG-N 2.84Å; S140-C143 PolarHBondContact O-N 3.27Å | ||
| 141 | E | 97.1 | Very high | 98.5 | Very high | 71 Ų | 71 | 22.7 Ų | 22.7 | 33% | 0.332 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -14.1 | 173.9 | 68.3 | -86.9 | -153.1 | 0 | 0 | 113.6 | K138 P139 V144 G169 | K138-E141 IonicContact NZ-OE2 3.68Å; K138-E141 PolarHBondContact NZ-OE2 3.04Å; P139-E141 PolarHBondContact O-N 3.47Å; E141-V144 WeakPolarHBondContact O-CG1 3.35Å; E141-G169 WeakPolarHBondContact OE1-CA 3.32Å |
| 142 | V | 98.1 | Very high | 98.5 | Very high | 48 Ų | 48 | 26.4 Ų | 26.4 | 29% | 0.291 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -32.8 | -179.6 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | W114 S140 V144 I286 | W114-V142 HydrophobicContact CB-CB 3.85Å; W114-V142 HydrophobicContact CB-CG1 4.19Å; W114-V142 HydrophobicContact CD2-CG1 4.49Å; W114-V142 HydrophobicContact CG-CB 4.02Å; W114-V142 HydrophobicContact CG-CG1 4.06Å; S140-V142 PolarHBondContact O-N 3.43Å; S140-V142 PolarHBondContact OG-N 2.84Å; V142-V144 PolarHBondContact O-N 3.03Å; V142-I286 HydrophobicContact CG1-CD1 4.13Å; V142-I286 HydrophobicContact CG1-CG1 3.38Å |
| 143 | C | 97.1 | Very high | 98.5 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -97.5 | 73.9 | 173.4 | -75.8 | 0 | 0 | 0 | 0 | 109.7 | D51 W114 P117 S140 H145 T146 A147 | D51-C143 HydrophobicContact CB-CB 4.09Å; D51-C143 WeakPolarHBondContact OD2-CB 3.47Å; W114-C143 HydrophobicContact CB-CB 4.47Å; W114-C143 VanDerWaalsContact CB-SG 3.59Å; W114-C143 PolarHBondContact O-SG 2.97Å; P117-C143 HydrophobicContact CB-CB 4.31Å; P117-C143 HydrophobicContact CG-CB 4.46Å; S140-C143 PolarHBondContact O-N 3.27Å; C143-H145 VanDerWaalsContact C-N 3.29Å; C143-H145 PolarHBondContact O-N 3.12Å; C143-T146 PolarHBondContact O-N 3.02Å; C143-A147 VanDerWaalsContact O-CB 3.3Å; C143-A147 WeakPolarHBondContact O-CB 3.34Å; C143-A147 PolarHBondContact O-N 3.24Å |
| 144 | V | 97.7 | Very high | 98.5 | Very high | 88 Ų | 88 | 27.3 Ų | 27.3 | 53% | 0.533 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -59.9 | -37.9 | -170.4 | -64 | 0 | 0 | 0 | 0 | 112.7 | D51 E141 V142 K148 | D51-V144 PolarHBondContact OD1-N 3.45Å; E141-V144 WeakPolarHBondContact O-CG1 3.35Å; V142-V144 PolarHBondContact O-N 3.03Å; V144-K148 WeakPolarHBondContact O-CB 3.43Å; V144-K148 PolarHBondContact O-N 3.04Å |
| 145 | H | 98.7 | Very high | 98.5 | Very high | 83 Ų | 83 | 29.3 Ų | 29.3 | 38% | 0.384 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -72.9 | -43.7 | -178.6 | -62.8 | -65.9 | 0 | 0 | 0 | 110.5 | A47 K50 D51 C143 K148 V149 | A47-H145 HydrophobicContact CB-CB 4.04Å; K50-H145 HydrophobicContact CB-CB 4.2Å; K50-H145 WeakPolarHBondContact CB-CD2 3.41Å; K50-H145 HydrophobicContact CD-CB 4.39Å; D51-H145 IonicContact OD1-CD2 2.72Å; D51-H145 PolarHBondContact OD1-CD2 2.89Å; D51-H145 VanDerWaalsContact OD1-CD2 3.27Å; D51-H145 IonicContact OD1-CG 3.91Å; D51-H145 PolarHBondContact OD1-N 3.41Å; D51-H145 PolarHBondContact OD2-N 3.24Å; C143-H145 VanDerWaalsContact C-N 3.29Å; C143-H145 PolarHBondContact O-N 3.12Å; H145-K148 PolarHBondContact O-N 2.96Å; H145-V149 WeakPolarHBondContact O-CG2 3.17Å; H145-V149 PolarHBondContact O-N 3.41Å |
| 146 | T | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.4 | -43.7 | 178.4 | -59 | 0 | 0 | 0 | 0 | 112.1 | D51 P117 W118 C143 K148 V149 M150 | D51-T146 VanDerWaalsContact OD2-CB 3.22Å; D51-T146 WeakPolarHBondContact OD2-CB 3.31Å; D51-T146 PolarHBondContact OD2-N 2.96Å; D51-T146 PolarHBondContact OD2-OG1 2.88Å; P117-T146 HydrophobicContact CB-CG2 3.68Å; P117-T146 HydrophobicContact CG-CG2 3.64Å; W118-T146 HydrophobicContact CG-CG2 4.48Å; W118-T146 VanDerWaalsContact NE1-CG2 3.25Å; C143-T146 PolarHBondContact O-N 3.02Å; T146-K148 PolarHBondContact O-N 3.39Å; T146-V149 PolarHBondContact O-N 2.85Å; T146-M150 HydrophobicContact CG2-CE 3.75Å; T146-M150 PolarHBondContact O-N 2.99Å |
| 147 | A | 98.7 | Very high | 98.4 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 7% | 0.066 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.5 | -38.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P139 C143 M150 E151 T167 | P139-A147 HydrophobicContact CB-CB 3.8Å; C143-A147 VanDerWaalsContact O-CB 3.3Å; C143-A147 WeakPolarHBondContact O-CB 3.34Å; C143-A147 PolarHBondContact O-N 3.24Å; A147-M150 PolarHBondContact O-N 3.18Å; A147-E151 WeakPolarHBondContact O-CB 3.21Å; A147-E151 PolarHBondContact O-N 3.22Å; A147-T167 HydrophobicContact CB-CG2 4.49Å |
| 148 | K | 98.7 | Very high | 98.4 | Very high | 93 Ų | 93 | 36 Ų | 36 | 40% | 0.404 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.7 | -45.8 | 176.5 | -175.1 | 50.9 | 173.8 | 156.3 | 0 | 112.3 | V144 H145 T146 M150 E151 D152 | V144-K148 WeakPolarHBondContact O-CB 3.43Å; V144-K148 PolarHBondContact O-N 3.04Å; H145-K148 PolarHBondContact O-N 2.96Å; T146-K148 PolarHBondContact O-N 3.39Å; K148-M150 VanDerWaalsContact C-N 3.3Å; K148-M150 PolarHBondContact O-N 3.23Å; K148-E151 WeakPolarHBondContact CD-OE2 3.49Å; K148-E151 IonicContact NZ-OE2 3.05Å; K148-E151 PolarHBondContact NZ-OE2 3.35Å; K148-E151 WeakPolarHBondContact O-CB 3.37Å; K148-E151 PolarHBondContact O-N 3.08Å; K148-D152 WeakPolarHBondContact CD-OD2 3.22Å; K148-D152 WeakPolarHBondContact CE-OD1 3.35Å; K148-D152 WeakPolarHBondContact CE-OD2 3.18Å; K148-D152 VanDerWaalsContact NZ-CG 3.35Å; K148-D152 IonicContact NZ-OD1 2.93Å; K148-D152 PolarHBondContact NZ-OD1 2.94Å; K148-D152 IonicContact NZ-OD2 2.77Å; K148-D152 PolarHBondContact NZ-OD2 3.41Å; K148-D152 PolarHBondContact O-N 2.57Å |
| 149 | V | 98.7 | Very high | 98.4 | Very high | 26 Ų | 26 | 37 Ų | 37 | 16% | 0.158 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 176.2 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | D43 I44 A47 W118 H145 T146 D152 L153 | D43-V149 HydrophobicContact CB-CG1 4.42Å; I44-V149 HydrophobicContact CG1-CG1 4.42Å; A47-V149 HydrophobicContact CB-CB 4.31Å; A47-V149 HydrophobicContact CB-CG2 3.63Å; W118-V149 HydrophobicContact CZ2-CB 4.43Å; W118-V149 HydrophobicContact CZ2-CG1 3.85Å; H145-V149 WeakPolarHBondContact O-CG2 3.17Å; H145-V149 PolarHBondContact O-N 3.41Å; T146-V149 PolarHBondContact O-N 2.85Å; V149-D152 PolarHBondContact O-N 3.07Å; V149-L153 HydrophobicContact CG1-CD1 3.45Å; V149-L153 VanDerWaalsContact CG1-CD1 3.45Å; V149-L153 HydrophobicContact CG1-CG 4.08Å; V149-L153 VanDerWaalsContact O-CB 3.26Å; V149-L153 WeakPolarHBondContact O-CB 3.41Å; V149-L153 WeakPolarHBondContact O-CG 3.43Å; V149-L153 PolarHBondContact O-N 3.1Å |
| 150 | M | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62 | -45.9 | 173.7 | -73.9 | 179 | -174.8 | 0 | 0 | 112.6 | P117 W118 T121 P139 T146 A147 K148 D152 L154 | P117-M150 VanDerWaalsContact O-CE 3.29Å; P117-M150 WeakPolarHBondContact O-CE 3.23Å; W118-M150 HydrophobicContact CB-CE 4.12Å; W118-M150 HydrophobicContact CD2-CE 3.31Å; W118-M150 HydrophobicContact CD2-CG 4.31Å; W118-M150 HydrophobicContact CE3-CE 3.65Å; W118-M150 HydrophobicContact CE3-CG 4.25Å; W118-M150 HydrophobicContact CG-CE 3.54Å; W118-M150 HydrophobicContact CH2-CB 4.32Å; W118-M150 HydrophobicContact CH2-CE 4.41Å; W118-M150 HydrophobicContact CH2-CG 3.45Å; W118-M150 VanDerWaalsContact CH2-CG 3.45Å; W118-M150 HydrophobicContact CZ2-CE 4.12Å; W118-M150 HydrophobicContact CZ2-CG 3.49Å; W118-M150 VanDerWaalsContact CZ2-CG 3.49Å; W118-M150 HydrophobicContact CZ3-CE 4.19Å; W118-M150 HydrophobicContact CZ3-CG 3.84Å; T121-M150 HydrophobicContact CG2-SD 4.26Å; P139-M150 HydrophobicContact CB-SD 3.85Å; P139-M150 HydrophobicContact CG-CB 4.12Å; P139-M150 HydrophobicContact CG-SD 3.73Å; T146-M150 HydrophobicContact CG2-CE 3.75Å; T146-M150 PolarHBondContact O-N 2.99Å; A147-M150 PolarHBondContact O-N 3.18Å; K148-M150 VanDerWaalsContact C-N 3.3Å; K148-M150 PolarHBondContact O-N 3.23Å; M150-D152 VanDerWaalsContact C-N 3.31Å; M150-D152 PolarHBondContact O-N 2.94Å; M150-L154 HydrophobicContact CB-CD1 4.09Å; M150-L154 HydrophobicContact CG-CD1 4.46Å; M150-L154 VanDerWaalsContact O-CB 3.32Å; M150-L154 WeakPolarHBondContact O-CB 3.21Å; M150-L154 WeakPolarHBondContact O-CG 3.48Å; M150-L154 PolarHBondContact O-N 3.29Å; M150-L154 VanDerWaalsContact O-N 3.07Å |
| 151 | E | 98.5 | Very high | 98.4 | Very high | 36 Ų | 36 | 46.3 Ų | 46.3 | 17% | 0.168 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.5 | -41.8 | 178.7 | -178.4 | -178.7 | -117.9 | 0 | 0 | 112.2 | R3 A147 K148 P155 V165 T167 | R3-E151 IonicContact CZ-OE1 3.76Å; R3-E151 VanDerWaalsContact CZ-OE1 3.24Å; R3-E151 IonicContact NH1-OE1 2.7Å; R3-E151 PolarHBondContact NH1-OE1 3.02Å; R3-E151 IonicContact NH2-OE1 3.79Å; R3-E151 PolarHBondContact NH2-OE1 3.46Å; A147-E151 WeakPolarHBondContact O-CB 3.21Å; A147-E151 PolarHBondContact O-N 3.22Å; K148-E151 WeakPolarHBondContact CD-OE2 3.49Å; K148-E151 IonicContact NZ-OE2 3.05Å; K148-E151 PolarHBondContact NZ-OE2 3.35Å; K148-E151 WeakPolarHBondContact O-CB 3.37Å; K148-E151 PolarHBondContact O-N 3.08Å; E151-P155 WeakPolarHBondContact O-CD 3.29Å; E151-P155 WeakPolarHBondContact O-CG 3.49Å; E151-V165 HydrophobicContact CB-CG1 4.21Å; E151-T167 HydrophobicContact CB-CG2 3.82Å; E151-T167 HydrophobicContact CG-CG2 4.14Å; E151-T167 PolarHBondContact OE1-OG1 3.23Å |
| 152 | D | 98.6 | Very high | 98.5 | Very high | 78 Ų | 78 | 43 Ų | 43 | 42% | 0.417 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -80.1 | -37.9 | -176.3 | -69.3 | -22.2 | 0 | 0 | 0 | 112.6 | K148 V149 M150 L156 | K148-D152 WeakPolarHBondContact CD-OD2 3.22Å; K148-D152 WeakPolarHBondContact CE-OD1 3.35Å; K148-D152 WeakPolarHBondContact CE-OD2 3.18Å; K148-D152 VanDerWaalsContact NZ-CG 3.35Å; K148-D152 IonicContact NZ-OD1 2.93Å; K148-D152 PolarHBondContact NZ-OD1 2.94Å; K148-D152 IonicContact NZ-OD2 2.77Å; K148-D152 PolarHBondContact NZ-OD2 3.41Å; K148-D152 PolarHBondContact O-N 2.57Å; V149-D152 PolarHBondContact O-N 3.07Å; M150-D152 VanDerWaalsContact C-N 3.31Å; M150-D152 PolarHBondContact O-N 2.94Å; D152-L156 WeakPolarHBondContact O-CG 3.48Å |
| 153 | L | 98.7 | Very high | 98.5 | Very high | 19 Ų | 19 | 40.7 Ų | 40.7 | 10% | 0.099 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -92.8 | -42.6 | -171.2 | -62.3 | -175.5 | 0 | 0 | 0 | 114 | L36 R40 D43 V149 P155 L156 Y157 | L36-L153 HydrophobicContact CD1-CB 3.98Å; R40-L153 HydrophobicContact CB-CD1 3.71Å; R40-L153 HydrophobicContact CG-CD1 3.8Å; R40-L153 HydrophobicContact CG-CD2 4.34Å; D43-L153 HydrophobicContact CB-CD1 4.27Å; V149-L153 HydrophobicContact CG1-CD1 3.45Å; V149-L153 VanDerWaalsContact CG1-CD1 3.45Å; V149-L153 HydrophobicContact CG1-CG 4.08Å; V149-L153 VanDerWaalsContact O-CB 3.26Å; V149-L153 WeakPolarHBondContact O-CB 3.41Å; V149-L153 WeakPolarHBondContact O-CG 3.43Å; V149-L153 PolarHBondContact O-N 3.1Å; L153-P155 VanDerWaalsContact C-CD 3.48Å; L153-P155 VanDerWaalsContact C-N 3.34Å; L153-L156 HydrophobicContact CD2-CD1 4.28Å; L153-L156 WeakPolarHBondContact O-CB 3.33Å; L153-L156 PolarHBondContact O-N 3.17Å; L153-Y157 WeakPolarHBondContact O-CD2 3.4Å |
| 154 | L | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -53.5 | -45.5 | -175.7 | -74.5 | 168.9 | 0 | 0 | 0 | 112.7 | L33 L36 I122 M150 L156 Y157 I158 V165 | L33-L154 HydrophobicContact CD1-CD2 3.84Å; L36-L154 HydrophobicContact CD1-CD2 4Å; L36-L154 HydrophobicContact CD1-CG 4.46Å; I122-L154 HydrophobicContact CD1-CD1 4.13Å; I122-L154 HydrophobicContact CD1-CD2 4.2Å; M150-L154 HydrophobicContact CB-CD1 4.09Å; M150-L154 HydrophobicContact CG-CD1 4.46Å; M150-L154 VanDerWaalsContact O-CB 3.32Å; M150-L154 WeakPolarHBondContact O-CB 3.21Å; M150-L154 WeakPolarHBondContact O-CG 3.48Å; M150-L154 PolarHBondContact O-N 3.29Å; M150-L154 VanDerWaalsContact O-N 3.07Å; L154-L156 PolarHBondContact O-N 3.4Å; L154-L156 VanDerWaalsContact O-N 3.09Å; L154-Y157 PolarHBondContact O-N 2.7Å; L154-Y157 VanDerWaalsContact O-N 3.12Å; L154-I158 HydrophobicContact CB-CD1 4.46Å; L154-I158 HydrophobicContact CB-CG1 4.44Å; L154-I158 HydrophobicContact CD2-CD1 4.01Å; L154-I158 HydrophobicContact CD2-CG1 4.48Å; L154-I158 VanDerWaalsContact O-CG1 3.26Å; L154-I158 WeakPolarHBondContact O-CG1 2.93Å; L154-I158 PolarHBondContact O-N 3.24Å; L154-V165 HydrophobicContact CB-CG2 3.89Å; L154-V165 HydrophobicContact CD1-CG2 3.6Å; L154-V165 HydrophobicContact CG-CG2 4.37Å |
| 155 | P | 98.4 | Very high | 98.7 | Very high | 43 Ų | 43 | 37.5 Ų | 37.5 | 28% | 0.279 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.6 | -14.7 | 179.1 | -24.2 | 36.9 | 0 | 0 | 0 | 115.6 | E151 L153 K160 | E151-P155 WeakPolarHBondContact O-CD 3.29Å; E151-P155 WeakPolarHBondContact O-CG 3.49Å; L153-P155 VanDerWaalsContact C-CD 3.48Å; L153-P155 VanDerWaalsContact C-N 3.34Å; P155-K160 HydrophobicContact CB-CB 3.82Å |
| 156 | L | 98.7 | Very high | 98.7 | Very high | 119 Ų | 119 | 33.6 Ų | 33.6 | 62% | 0.623 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -85.6 | -21.5 | 178.1 | -56.8 | 179.5 | 0 | 0 | 0 | 112.7 | D152 L153 L154 | D152-L156 WeakPolarHBondContact O-CG 3.48Å; L153-L156 HydrophobicContact CD2-CD1 4.28Å; L153-L156 WeakPolarHBondContact O-CB 3.33Å; L153-L156 PolarHBondContact O-N 3.17Å; L154-L156 PolarHBondContact O-N 3.4Å; L154-L156 VanDerWaalsContact O-N 3.09Å |
| 157 | Y | 98.8 | Very high | 98.6 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 5% | 0.051 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -109.4 | -46.7 | -174.5 | -74.1 | -94.1 | 0 | 0 | 0 | 112.1 | N32 R35 L36 E39 R40 L153 L154 | N32-Y157 WeakPolarHBondContact CB-O 3.36Å; N32-Y157 PolarHBondContact ND2-O 3.04Å; N32-Y157 WeakPolarHBondContact O-CD1 3.49Å; R35-Y157 HydrophobicContact CB-CD1 4.14Å; R35-Y157 HydrophobicContact CB-CE1 4.11Å; L36-Y157 HydrophobicContact CB-CD1 3.85Å; L36-Y157 HydrophobicContact CB-CD2 3.92Å; L36-Y157 HydrophobicContact CB-CE1 4.2Å; L36-Y157 HydrophobicContact CB-CE2 4.27Å; L36-Y157 HydrophobicContact CB-CG 3.71Å; L36-Y157 HydrophobicContact CD1-CD2 3.77Å; L36-Y157 HydrophobicContact CD1-CE2 4.4Å; L36-Y157 HydrophobicContact CD1-CG 4.15Å; L36-Y157 HydrophobicContact CG-CD2 4.11Å; L36-Y157 HydrophobicContact CG-CE2 4.36Å; L36-Y157 HydrophobicContact CG-CG 4.38Å; E39-Y157 WeakPolarHBondContact CB-OH 3.44Å; E39-Y157 VanDerWaalsContact OE2-CE1 3.25Å; E39-Y157 WeakPolarHBondContact OE2-CE1 3.35Å; E39-Y157 PolarHBondContact OE2-OH 3.33Å; R40-Y157 HydrophobicContact CG-CE2 4.18Å; R40-Y157 PolarHBondContact NH1-OH 2.9Å; R40-Y157 PolarHBondContact NH2-OH 3.45Å; L153-Y157 WeakPolarHBondContact O-CD2 3.4Å; L154-Y157 PolarHBondContact O-N 2.7Å; L154-Y157 VanDerWaalsContact O-N 3.12Å |
| 158 | I | 98.8 | Very high | 98.6 | Very high | 7 Ų | 7 | 35.7 Ų | 35.7 | 4% | 0.036 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -106.5 | 164.2 | -179.3 | 61.6 | 172.2 | 0 | 0 | 0 | 111 | Q29 N32 L33 L125 L154 K160 Y163 | Q29-I158 VanDerWaalsContact OE1-CA 3.32Å; N32-I158 HydrophobicContact CB-CG2 4.38Å; L33-I158 HydrophobicContact CB-CG2 4.14Å; L125-I158 HydrophobicContact CD2-CD1 4.05Å; L154-I158 HydrophobicContact CB-CD1 4.46Å; L154-I158 HydrophobicContact CB-CG1 4.44Å; L154-I158 HydrophobicContact CD2-CD1 4.01Å; L154-I158 HydrophobicContact CD2-CG1 4.48Å; L154-I158 VanDerWaalsContact O-CG1 3.26Å; L154-I158 WeakPolarHBondContact O-CG1 2.93Å; L154-I158 PolarHBondContact O-N 3.24Å; I158-K160 PolarHBondContact O-N 3.44Å; I158-Y163 HydrophobicContact CB-CD2 4.05Å; I158-Y163 HydrophobicContact CD1-CD2 4.01Å; I158-Y163 HydrophobicContact CD1-CG 3.97Å; I158-Y163 HydrophobicContact CG1-CD2 4.22Å |
| 159 | D | 98.8 | Very high | 98.5 | Very high | 30 Ų | 30 | 32.1 Ų | 32.1 | 16% | 0.16 | 18% | 0.175 | C | C | . | . | trans | -60.3 | 104.7 | -177.7 | -173.3 | -51.8 | 0 | 0 | 0 | 111.8 | R19 Y25 E161 L162 Y163 | R19-D159 IonicContact CZ-OD1 2.8Å; R19-D159 IonicContact CZ-OD2 3.69Å; R19-D159 IonicContact NE-OD2 2.93Å; R19-D159 PolarHBondContact NE-OD2 2.79Å; R19-D159 IonicContact NH1-OD2 3.16Å; R19-D159 IonicContact NH2-OD1 3.93Å; R19-D159 PolarHBondContact NH2-OD1 3.34Å; R19-D159 IonicContact NH2-OD2 2.62Å; R19-D159 PolarHBondContact NH2-OD2 3.31Å; Y25-D159 WeakPolarHBondContact OH-CB 3.44Å; Y25-D159 PolarHBondContact OH-OD2 3.03Å; D159-E161 PolarHBondContact O-N 3.38Å; D159-E161 VanDerWaalsContact O-N 3.12Å; D159-E161 PolarHBondContact OD1-N 2.7Å; D159-L162 HydrophobicContact CB-CB 4.23Å; D159-L162 HydrophobicContact CB-CD1 4.34Å; D159-L162 PolarHBondContact O-N 3Å; D159-L162 PolarHBondContact OD1-N 3.47Å; D159-Y163 HydrophobicContact CB-CD2 3.96Å; D159-Y163 HydrophobicContact CB-CE2 3.99Å; D159-Y163 VanDerWaalsContact O-CD2 3.3Å; D159-Y163 WeakPolarHBondContact O-CD2 2.92Å; D159-Y163 PolarHBondContact O-N 2.89Å | ||
| 160 | K | 98.3 | Very high | 98.4 | Very high | 130 Ų | 130 | 35.9 Ų | 35.9 | 57% | 0.565 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -15.2 | -176.7 | 69.9 | -176.8 | 179.8 | -174.8 | 0 | 115.3 | P155 I158 | P155-K160 HydrophobicContact CB-CB 3.82Å; I158-K160 PolarHBondContact O-N 3.44Å |
| 161 | E | 98.7 | Very high | 98.4 | Very high | 80 Ų | 80 | 39.2 Ų | 39.2 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -40.6 | 175.6 | -49.3 | -176.7 | 105.5 | 0 | 0 | 110.7 | R10 A11 A14 R19 D159 | R10-E161 HydrophobicContact CG-CB 3.97Å; R10-E161 HydrophobicContact CG-CG 4.33Å; A11-E161 WeakPolarHBondContact CA-O 3.4Å; A11-E161 WeakPolarHBondContact CB-O 3.3Å; A14-E161 HydrophobicContact CB-CB 3.87Å; R19-E161 IonicContact CZ-OE2 2.87Å; R19-E161 IonicContact NH1-OE2 3.54Å; R19-E161 PolarHBondContact NH1-OE2 3.34Å; R19-E161 IonicContact NH2-OE2 3.83Å; R19-E161 PolarHBondContact NH2-OE2 2.99Å; D159-E161 PolarHBondContact O-N 3.38Å; D159-E161 VanDerWaalsContact O-N 3.12Å; D159-E161 PolarHBondContact OD1-N 2.7Å |
| 162 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -31.4 | 175.6 | -75.7 | 172.1 | 0 | 0 | 0 | 113.1 | A14 F15 R19 Y25 A134 A135 D159 P164 | A14-L162 HydrophobicContact CB-CD2 3.7Å; A14-L162 HydrophobicContact CB-CG 3.96Å; F15-L162 HydrophobicContact CB-CD2 4.38Å; R19-L162 HydrophobicContact CG-CD1 4.13Å; Y25-L162 HydrophobicContact CE1-CD1 3.67Å; Y25-L162 VanDerWaalsContact OH-CD1 3.29Å; Y25-L162 WeakPolarHBondContact OH-CD1 3.46Å; A134-L162 CarbonylContact C-O 3.47Å; A134-L162 WeakPolarHBondContact CA-O 3.39Å; A134-L162 HydrophobicContact CB-CB 4.49Å; A134-L162 HydrophobicContact CB-CD2 3.76Å; A134-L162 WeakPolarHBondContact CB-O 3.42Å; A135-L162 PolarHBondContact N-O 3.1Å; D159-L162 HydrophobicContact CB-CB 4.23Å; D159-L162 HydrophobicContact CB-CD1 4.34Å; D159-L162 PolarHBondContact O-N 3Å; D159-L162 PolarHBondContact OD1-N 3.47Å; L162-P164 WeakPolarHBondContact O-CD 3.12Å |
| 163 | Y | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -125.8 | 54.6 | -172.2 | -44.1 | -65.4 | 0 | 0 | 0 | 113 | Q29 L125 I129 N133 A135 I158 D159 | Q29-Y163 HydrophobicContact CB-CE2 4.39Å; Q29-Y163 HydrophobicContact CG-CE2 3.94Å; L125-Y163 HydrophobicContact CD1-CD1 4.05Å; I129-Y163 HydrophobicContact CD1-CE1 4.43Å; I129-Y163 HydrophobicContact CG1-CD1 4.15Å; I129-Y163 HydrophobicContact CG1-CE1 3.57Å; I129-Y163 HydrophobicContact CG1-CE2 4.33Å; N133-Y163 WeakPolarHBondContact O-CE1 3.37Å; A135-Y163 HydrophobicContact CB-CD1 4.23Å; A135-Y163 VanDerWaalsContact O-CA 3.24Å; A135-Y163 WeakPolarHBondContact O-CA 3.38Å; I158-Y163 HydrophobicContact CB-CD2 4.05Å; I158-Y163 HydrophobicContact CD1-CD2 4.01Å; I158-Y163 HydrophobicContact CD1-CG 3.97Å; I158-Y163 HydrophobicContact CG1-CD2 4.22Å; D159-Y163 HydrophobicContact CB-CD2 3.96Å; D159-Y163 HydrophobicContact CB-CE2 3.99Å; D159-Y163 VanDerWaalsContact O-CD2 3.3Å; D159-Y163 WeakPolarHBondContact O-CD2 2.92Å; D159-Y163 PolarHBondContact O-N 2.89Å |
| 164 | P | 98.7 | Very high | 98.3 | Very high | 11 Ų | 11 | 40.1 Ų | 40.1 | 7% | 0.071 | 23% | 0.227 | C | C | . | . | trans | -69.5 | 145.8 | -179.4 | 31.2 | -36.9 | 0 | 0 | 0 | 111.9 | A7 A11 A135 V136 V137 L162 | A7-P164 HydrophobicContact CB-CB 4.26Å; A7-P164 HydrophobicContact CB-CG 4.21Å; A11-P164 HydrophobicContact CB-CG 4.05Å; A135-P164 WeakPolarHBondContact O-CD 3.42Å; V136-P164 HydrophobicContact CG2-CG 4.09Å; V137-P164 PolarHBondContact N-O 3.36Å; L162-P164 WeakPolarHBondContact O-CD 3.12Å | ||
| 165 | V | 98.8 | Very high | 98.3 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 7% | 0.073 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -98.5 | 129.7 | 172.5 | -172.2 | 0 | 0 | 0 | 0 | 109.9 | R3 V137 P139 E151 L154 T167 | R3-V165 PolarHBondContact NH2-O 2.82Å; R3-V165 VanDerWaalsContact NH2-O 3.07Å; V137-V165 HydrophobicContact CB-CG2 4.38Å; V137-V165 WeakPolarHBondContact O-CA 3.35Å; P139-V165 HydrophobicContact CG-CG1 3.82Å; E151-V165 HydrophobicContact CB-CG1 4.21Å; L154-V165 HydrophobicContact CB-CG2 3.89Å; L154-V165 HydrophobicContact CD1-CG2 3.6Å; L154-V165 HydrophobicContact CG-CG2 4.37Å; V165-T167 HydrophobicContact CG1-CG2 4.38Å |
| 166 | V | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -120.1 | 108.4 | 175.5 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | E4 A7 V136 V137 K138 L176 | E4-V166 HydrophobicContact CG-CG1 4.06Å; A7-V166 HydrophobicContact CB-CG2 3.57Å; V136-V166 HydrophobicContact CG1-CB 4.28Å; V136-V166 HydrophobicContact CG1-CG2 3.71Å; V137-V166 PolarHBondContact O-N 3.21Å; K138-V166 WeakPolarHBondContact CA-O 3.24Å; K138-V166 WeakPolarHBondContact CG-O 2.96Å; V166-L176 HydrophobicContact CB-CD1 4.14Å; V166-L176 HydrophobicContact CG1-CD1 3.89Å; V166-L176 HydrophobicContact CG1-CD2 4.45Å; V166-L176 HydrophobicContact CG1-CG 4.39Å; V166-L176 HydrophobicContact CG2-CD2 4.44Å | ||
| 167 | T | 98.3 | Very high | 98.3 | Very high | 33 Ų | 33 | 34.3 Ų | 34.3 | 20% | 0.202 | 19% | 0.194 | C | C | . | . | trans | -88.8 | 151.8 | 173.1 | 55.2 | 0 | 0 | 0 | 0 | 109.9 | R3 A147 E151 V165 | R3-T167 PolarHBondContact NH1-OG1 3.11Å; A147-T167 HydrophobicContact CB-CG2 4.49Å; E151-T167 HydrophobicContact CB-CG2 3.82Å; E151-T167 HydrophobicContact CG-CG2 4.14Å; E151-T167 PolarHBondContact OE1-OG1 3.23Å; V165-T167 HydrophobicContact CG1-CG2 4.38Å | ||
| 168 | G | 96.9 | Very high | 98.3 | Very high | 19 Ų | 19 | 40.6 Ų | 40.6 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | trans | 150 | 164 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K138 | K138-G168 WeakPolarHBondContact CE-O 3.43Å; K138-G168 PolarHBondContact NZ-O 2.82Å | ||
| 169 | G | 96.8 | Very high | 98.3 | Very high | 19 Ų | 19 | 42.2 Ų | 42.2 | 20% | 0.196 | 23% | 0.225 | C | C | . | . | trans | -88.6 | -145.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E141 A171 E172 T173 | E141-G169 WeakPolarHBondContact OE1-CA 3.32Å; G169-A171 PolarHBondContact O-N 3.1Å; G169-E172 WeakPolarHBondContact CA-OE2 3.43Å; G169-E172 PolarHBondContact N-OE2 2.66Å; G169-T173 WeakPolarHBondContact O-CB 3.41Å; G169-T173 PolarHBondContact O-N 2.97Å; G169-T173 PolarHBondContact O-OG1 3.16Å | ||
| 170 | V | 97.1 | Very high | 98.3 | Very high | 105 Ų | 105 | 48.1 Ų | 48.1 | 64% | 0.636 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -61.6 | -41.5 | -178 | 178.1 | 0 | 0 | 0 | 0 | 111.9 | T173 Q174 | V170-T173 PolarHBondContact O-N 2.81Å; V170-Q174 HydrophobicContact CG1-CG 4.28Å; V170-Q174 WeakPolarHBondContact O-CB 3.38Å; V170-Q174 VanDerWaalsContact O-CG 3.25Å; V170-Q174 WeakPolarHBondContact O-CG 3.49Å; V170-Q174 PolarHBondContact O-N 2.91Å |
| 171 | A | 98 | Very high | 98.3 | Very high | 69 Ų | 69 | 42 Ų | 42 | 57% | 0.57 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -64.6 | -46.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G169 Q174 E175 | G169-A171 PolarHBondContact O-N 3.1Å; A171-Q174 PolarHBondContact O-N 2.99Å; A171-E175 PolarHBondContact O-N 2.73Å |
| 172 | E | 98.5 | Very high | 98.3 | Very high | 70 Ų | 70 | 40 Ų | 40 | 33% | 0.327 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68 | -39.1 | 177.7 | -61.9 | 75.4 | -164.1 | 0 | 0 | 110.9 | E4 G169 Q174 E175 L176 | E4-E172 HydrophobicContact CG-CB 4.4Å; E4-E172 WeakPolarHBondContact OE1-CG 3.25Å; G169-E172 WeakPolarHBondContact CA-OE2 3.43Å; G169-E172 PolarHBondContact N-OE2 2.66Å; E172-Q174 VanDerWaalsContact C-N 3.33Å; E172-Q174 PolarHBondContact O-N 3.16Å; E172-E175 PolarHBondContact O-N 2.94Å; E172-L176 PolarHBondContact O-N 3.06Å |
| 173 | T | 98.4 | Very high | 98.3 | Very high | 18 Ų | 18 | 40.3 Ų | 40.3 | 11% | 0.11 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.4 | -42.3 | 174.2 | -53.6 | 0 | 0 | 0 | 0 | 111.2 | I111 K138 G169 V170 L176 L177 | I111-T173 HydrophobicContact CD1-CG2 4.25Å; K138-T173 WeakPolarHBondContact CE-OG1 3.47Å; K138-T173 PolarHBondContact NZ-OG1 3.35Å; G169-T173 WeakPolarHBondContact O-CB 3.41Å; G169-T173 PolarHBondContact O-N 2.97Å; G169-T173 PolarHBondContact O-OG1 3.16Å; V170-T173 PolarHBondContact O-N 2.81Å; T173-L176 PolarHBondContact O-N 3.07Å; T173-L177 HydrophobicContact CG2-CD1 4.12Å; T173-L177 HydrophobicContact CG2-CG 4.46Å; T173-L177 WeakPolarHBondContact O-CB 3.29Å; T173-L177 VanDerWaalsContact O-CG 3.29Å; T173-L177 WeakPolarHBondContact O-CG 3.5Å; T173-L177 PolarHBondContact O-N 3.33Å |
| 174 | Q | 98 | Very high | 98.4 | Very high | 65 Ų | 65 | 40.5 Ų | 40.5 | 30% | 0.304 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.7 | -37.3 | 176.5 | -72.5 | -65.2 | -22.7 | 0 | 0 | 112.2 | V170 A171 E172 L177 R178 | V170-Q174 HydrophobicContact CG1-CG 4.28Å; V170-Q174 WeakPolarHBondContact O-CB 3.38Å; V170-Q174 VanDerWaalsContact O-CG 3.25Å; V170-Q174 WeakPolarHBondContact O-CG 3.49Å; V170-Q174 PolarHBondContact O-N 2.91Å; A171-Q174 PolarHBondContact O-N 2.99Å; E172-Q174 VanDerWaalsContact C-N 3.33Å; E172-Q174 PolarHBondContact O-N 3.16Å; Q174-L177 PolarHBondContact O-N 2.99Å; Q174-R178 WeakPolarHBondContact O-CG 3.37Å; Q174-R178 PolarHBondContact O-N 3.15Å |
| 175 | E | 98.5 | Very high | 98.4 | Very high | 32 Ų | 32 | 40 Ų | 40 | 15% | 0.15 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.9 | -39.5 | 174.8 | -176.5 | 57.7 | -154.3 | 0 | 0 | 112.3 | E4 Q5 A171 E172 R178 Q179 | E4-E175 HydrophobicContact CB-CB 4.36Å; E4-E175 HydrophobicContact CB-CG 3.89Å; E4-E175 HydrophobicContact CG-CB 4.07Å; E4-E175 HydrophobicContact CG-CG 4.07Å; Q5-E175 WeakPolarHBondContact CG-OE1 3.42Å; Q5-E175 PolarHBondContact NE2-OE1 3.38Å; A171-E175 PolarHBondContact O-N 2.73Å; E172-E175 PolarHBondContact O-N 2.94Å; E175-R178 PolarHBondContact O-N 3.3Å; E175-R178 IonicContact OE2-CZ 3.93Å; E175-R178 IonicContact OE2-NH1 2.76Å; E175-R178 PolarHBondContact OE2-NH1 2.99Å; E175-Q179 WeakPolarHBondContact O-CG 3.22Å; E175-Q179 PolarHBondContact O-NE2 3.04Å; E175-Q179 PolarHBondContact OE1-NE2 2.92Å; E175-Q179 VanDerWaalsContact OE1-NE2 3.09Å |
| 176 | L | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.4 | -49.3 | 170.3 | -76.6 | 170.1 | 0 | 0 | 0 | 111.2 | E4 V8 L109 V136 K138 V166 E172 T173 R178 Q179 F181 | E4-L176 HydrophobicContact CB-CD2 3.74Å; E4-L176 HydrophobicContact CB-CG 3.92Å; E4-L176 HydrophobicContact CG-CD2 4.13Å; E4-L176 HydrophobicContact CG-CG 3.8Å; V8-L176 HydrophobicContact CG2-CD2 4.09Å; L109-L176 HydrophobicContact CD1-CD1 4.33Å; V136-L176 HydrophobicContact CG1-CD2 4.07Å; K138-L176 HydrophobicContact CB-CD1 4.22Å; K138-L176 HydrophobicContact CG-CD1 3.99Å; V166-L176 HydrophobicContact CB-CD1 4.14Å; V166-L176 HydrophobicContact CG1-CD1 3.89Å; V166-L176 HydrophobicContact CG1-CD2 4.45Å; V166-L176 HydrophobicContact CG1-CG 4.39Å; V166-L176 HydrophobicContact CG2-CD2 4.44Å; E172-L176 PolarHBondContact O-N 3.06Å; T173-L176 PolarHBondContact O-N 3.07Å; L176-R178 PolarHBondContact O-N 2.76Å; L176-R178 VanDerWaalsContact O-N 3.13Å; L176-Q179 VanDerWaalsContact O-CB 3.27Å; L176-Q179 WeakPolarHBondContact O-CB 3.19Å; L176-Q179 WeakPolarHBondContact O-CG 3.14Å; L176-Q179 PolarHBondContact O-N 3.1Å; L176-F181 HydrophobicContact CD2-CZ 4.37Å; L176-F181 WeakPolarHBondContact O-CE2 3.44Å |
| 177 | L | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.6 | -17.1 | -177.6 | -73.2 | 173.6 | 0 | 0 | 0 | 114.3 | L109 I111 T173 Q174 Q179 I184 I196 A199 | L109-L177 HydrophobicContact CD2-CD2 3.99Å; I111-L177 HydrophobicContact CD1-CD2 4.31Å; T173-L177 HydrophobicContact CG2-CD1 4.12Å; T173-L177 HydrophobicContact CG2-CG 4.46Å; T173-L177 WeakPolarHBondContact O-CB 3.29Å; T173-L177 VanDerWaalsContact O-CG 3.29Å; T173-L177 WeakPolarHBondContact O-CG 3.5Å; T173-L177 PolarHBondContact O-N 3.33Å; Q174-L177 PolarHBondContact O-N 2.99Å; L177-Q179 VanDerWaalsContact C-N 3.33Å; L177-I184 HydrophobicContact CD2-CD1 4.06Å; L177-I196 HydrophobicContact CD1-CG1 4.05Å; L177-I196 HydrophobicContact CD2-CG1 4.31Å; L177-I196 HydrophobicContact CD2-CG2 4.41Å; L177-A199 HydrophobicContact CB-CB 3.85Å; L177-A199 HydrophobicContact CD1-CB 4.38Å; L177-A199 HydrophobicContact CD2-CB 4.25Å; L177-A199 HydrophobicContact CG-CB 4.39Å |
| 178 | R | 98.5 | Very high | 98.4 | Very high | 144 Ų | 144 | 39.9 Ų | 39.9 | 54% | 0.543 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -73.8 | -25.9 | 169.7 | -70.5 | 173.1 | -167.4 | 119.5 | 8.7 | 112.6 | Q174 E175 L176 H203 | Q174-R178 WeakPolarHBondContact O-CG 3.37Å; Q174-R178 PolarHBondContact O-N 3.15Å; E175-R178 PolarHBondContact O-N 3.3Å; E175-R178 IonicContact OE2-CZ 3.93Å; E175-R178 IonicContact OE2-NH1 2.76Å; E175-R178 PolarHBondContact OE2-NH1 2.99Å; L176-R178 PolarHBondContact O-N 2.76Å; L176-R178 VanDerWaalsContact O-N 3.13Å; R178-H203 PolarHBondContact O-NE2 2.71Å; R178-H203 VanDerWaalsContact O-NE2 3.1Å |
| 179 | Q | 98.7 | Very high | 98.4 | Very high | 42 Ų | 42 | 42.3 Ų | 42.3 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -74.1 | 157.7 | -179.6 | -46.1 | -51 | -56.5 | 0 | 0 | 111.1 | V8 E175 L176 L177 F181 | V8-Q179 HydrophobicContact CB-CB 4.4Å; V8-Q179 HydrophobicContact CB-CG 4.36Å; V8-Q179 HydrophobicContact CG1-CB 4.01Å; V8-Q179 HydrophobicContact CG1-CG 4.47Å; V8-Q179 HydrophobicContact CG2-CB 4.05Å; V8-Q179 HydrophobicContact CG2-CG 3.98Å; E175-Q179 WeakPolarHBondContact O-CG 3.22Å; E175-Q179 PolarHBondContact O-NE2 3.04Å; E175-Q179 PolarHBondContact OE1-NE2 2.92Å; E175-Q179 VanDerWaalsContact OE1-NE2 3.09Å; L176-Q179 VanDerWaalsContact O-CB 3.27Å; L176-Q179 WeakPolarHBondContact O-CB 3.19Å; L176-Q179 WeakPolarHBondContact O-CG 3.14Å; L176-Q179 PolarHBondContact O-N 3.1Å; L177-Q179 VanDerWaalsContact C-N 3.33Å; Q179-F181 HydrophobicContact CB-CE2 4.05Å |
| 180 | R | 98.8 | Very high | 98.4 | Very high | 154 Ų | 154 | 42.8 Ų | 42.8 | 58% | 0.581 | 22% | 0.223 | S | C | * | . | trans | -82.4 | 123.8 | 176.2 | -175.9 | 173 | 177.1 | 178.5 | 0.8 | 110.2 | R12 H203 | R12-R180 PolarHBondContact NH2-O 2.92Å; R180-H203 HydrophobicContact CG-CB 4.27Å | ||
| 181 | F | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | trans | -117.5 | 154.4 | 168.5 | -70.1 | -85.3 | 0 | 0 | 0 | 109.9 | V8 L107 L109 V136 L176 Q179 I184 T205 | V8-F181 HydrophobicContact CG2-CE1 4.06Å; V8-F181 HydrophobicContact CG2-CE2 4.22Å; V8-F181 HydrophobicContact CG2-CZ 3.48Å; V8-F181 VanDerWaalsContact CG2-CZ 3.48Å; L107-F181 HydrophobicContact CB-CD1 4.39Å; L107-F181 HydrophobicContact CD2-CD1 3.81Å; L107-F181 HydrophobicContact CD2-CE1 3.7Å; L107-F181 HydrophobicContact CG-CD1 3.71Å; L107-F181 HydrophobicContact CG-CE1 3.85Å; L109-F181 HydrophobicContact CB-CB 4.48Å; L109-F181 HydrophobicContact CB-CD1 3.6Å; L109-F181 HydrophobicContact CB-CD2 3.97Å; L109-F181 HydrophobicContact CB-CE1 3.67Å; L109-F181 HydrophobicContact CB-CE2 4.03Å; L109-F181 HydrophobicContact CB-CG 3.75Å; L109-F181 HydrophobicContact CB-CZ 3.88Å; L109-F181 HydrophobicContact CD1-CE1 4.22Å; L109-F181 HydrophobicContact CD1-CE2 4.36Å; L109-F181 HydrophobicContact CD1-CZ 3.88Å; L109-F181 HydrophobicContact CD2-CD2 4.04Å; L109-F181 HydrophobicContact CD2-CE2 3.74Å; L109-F181 HydrophobicContact CD2-CZ 4.11Å; L109-F181 HydrophobicContact CG-CE1 4.4Å; L109-F181 HydrophobicContact CG-CE2 4.26Å; L109-F181 HydrophobicContact CG-CZ 4.17Å; V136-F181 HydrophobicContact CB-CE1 4.02Å; V136-F181 HydrophobicContact CB-CZ 4.33Å; V136-F181 HydrophobicContact CG2-CE1 3.8Å; V136-F181 HydrophobicContact CG2-CZ 4.23Å; L176-F181 HydrophobicContact CD2-CZ 4.37Å; L176-F181 WeakPolarHBondContact O-CE2 3.44Å; Q179-F181 HydrophobicContact CB-CE2 4.05Å; F181-I184 HydrophobicContact CB-CG1 4.08Å; F181-T205 HydrophobicContact CB-CG2 4.27Å; F181-T205 WeakPolarHBondContact O-CG2 3.19Å; F181-T205 PolarHBondContact O-OG1 3.49Å | ||
| 182 | D | 98.9 | Very high | 98.4 | Very high | 38 Ų | 38 | 42.4 Ų | 42.4 | 20% | 0.203 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -90.4 | -14.6 | 176.7 | -55.4 | -70.9 | 0 | 0 | 0 | 110.8 | R12 L105 L107 P206 | R12-D182 IonicContact CZ-OD2 2.82Å; R12-D182 IonicContact NH1-OD1 3.36Å; R12-D182 IonicContact NH1-OD2 2.71Å; R12-D182 PolarHBondContact NH1-OD2 3.17Å; R12-D182 IonicContact NH2-OD2 2.67Å; R12-D182 PolarHBondContact NH2-OD2 2.94Å; R12-D182 VanDerWaalsContact NH2-OD2 3.16Å; L105-D182 HydrophobicContact CB-CB 4.23Å; L105-D182 WeakPolarHBondContact O-CB 3.35Å; L107-D182 PolarHBondContact N-OD2 2.83Å; L107-D182 PolarHBondContact O-N 2.93Å; D182-P206 WeakPolarHBondContact O-CD 3.21Å; D182-P206 WeakPolarHBondContact O-CG 3.36Å |
| 183 | Y | 98.9 | Very high | 98.4 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 2% | 0.02 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 147.4 | 168.9 | -156.5 | -89.3 | 0 | 0 | 0 | 110.9 | L105 L107 V108 L109 P206 V207 T208 Q421 L422 | L105-Y183 HydrophobicContact CD1-CD2 3.45Å; L105-Y183 VanDerWaalsContact CD1-CD2 3.45Å; L105-Y183 HydrophobicContact CD1-CE2 4.31Å; L105-Y183 HydrophobicContact CD1-CG 3.93Å; L107-Y183 PolarHBondContact O-N 2.67Å; V108-Y183 CarbonylContact C-O 3.57Å; V108-Y183 WeakPolarHBondContact CA-O 3.18Å; V108-Y183 HydrophobicContact CG1-CD1 4.44Å; L109-Y183 PolarHBondContact N-O 3.09Å; Y183-P206 HydrophobicContact CD2-CB 3.92Å; Y183-P206 HydrophobicContact CD2-CG 3.51Å; Y183-P206 HydrophobicContact CE2-CB 3.79Å; Y183-P206 HydrophobicContact CE2-CG 3.91Å; Y183-P206 HydrophobicContact CG-CG 4.42Å; Y183-V207 PolarHBondContact OH-O 2.81Å; Y183-T208 WeakPolarHBondContact CE1-OG1 3.32Å; Y183-T208 PolarHBondContact OH-N 3.07Å; Y183-T208 PolarHBondContact OH-OG1 2.67Å; Y183-Q421 WeakPolarHBondContact OH-CG 3.49Å; Y183-Q421 PolarHBondContact OH-NE2 3.1Å; Y183-L422 HydrophobicContact CD1-CD2 3.45Å; Y183-L422 VanDerWaalsContact CD1-CD2 3.45Å; Y183-L422 HydrophobicContact CD2-CD2 4.45Å; Y183-L422 HydrophobicContact CE1-CD2 3.78Å; Y183-L422 HydrophobicContact CG-CD2 3.85Å |
| 184 | I | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 124.8 | 169.3 | -57.5 | 171.2 | 0 | 0 | 0 | 109.9 | L109 I111 L177 F181 I196 A200 T205 P206 V207 T208 | L109-I184 HydrophobicContact CB-CB 4.47Å; L109-I184 HydrophobicContact CB-CG1 4.1Å; L109-I184 HydrophobicContact CB-CG2 4.29Å; L109-I184 HydrophobicContact CD2-CG1 4.37Å; L109-I184 HydrophobicContact CD2-CG2 4.21Å; L109-I184 HydrophobicContact CG-CG2 4.39Å; I111-I184 HydrophobicContact CD1-CG2 4.5Å; L177-I184 HydrophobicContact CD2-CD1 4.06Å; F181-I184 HydrophobicContact CB-CG1 4.08Å; I184-I196 HydrophobicContact CG2-CG2 3.71Å; I184-A200 HydrophobicContact CD1-CB 4.01Å; I184-T205 HydrophobicContact CD1-CG2 4.18Å; I184-T205 HydrophobicContact CG1-CG2 3.84Å; I184-P206 PolarHBondContact N-O 3.4Å; I184-V207 HydrophobicContact CB-CG1 4.22Å; I184-V207 CarbonylContact O-C 3.5Å; I184-V207 WeakPolarHBondContact O-CA 3.32Å; I184-T208 PolarHBondContact O-N 3.1Å |
| 185 | F | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.6 | 173.3 | -164.7 | -70.1 | 0 | 0 | 0 | 108.9 | L109 I110 I111 P124 T208 E210 Y413 | L109-F185 PolarHBondContact O-N 2.95Å; I110-F185 HydrophobicContact CG1-CB 4.39Å; I111-F185 PolarHBondContact N-O 3.01Å; P124-F185 HydrophobicContact CB-CD1 3.84Å; P124-F185 HydrophobicContact CB-CD2 3.94Å; P124-F185 HydrophobicContact CB-CE1 3.97Å; P124-F185 HydrophobicContact CB-CE2 4.03Å; P124-F185 HydrophobicContact CB-CG 3.85Å; P124-F185 HydrophobicContact CB-CZ 4.07Å; P124-F185 HydrophobicContact CG-CD1 3.64Å; P124-F185 HydrophobicContact CG-CD2 4.34Å; P124-F185 HydrophobicContact CG-CE1 3.34Å; P124-F185 HydrophobicContact CG-CE2 4.07Å; P124-F185 HydrophobicContact CG-CG 4.16Å; P124-F185 HydrophobicContact CG-CZ 3.58Å; F185-T208 HydrophobicContact CD2-CG2 3.91Å; F185-T208 HydrophobicContact CE2-CG2 3.5Å; F185-T208 HydrophobicContact CZ-CG2 3.83Å; F185-E210 HydrophobicContact CE1-CG 3.99Å; F185-E210 HydrophobicContact CZ-CG 3.8Å; F185-Y413 HydrophobicContact CE2-CD1 4.17Å; F185-Y413 HydrophobicContact CE2-CD2 4.37Å; F185-Y413 AromaticContact CE2-CG 3.93Å; F185-Y413 HydrophobicContact CE2-CG 3.93Å; F185-Y413 AromaticContact CZ-CD1 3.68Å; F185-Y413 HydrophobicContact CZ-CD1 3.68Å; F185-Y413 HydrophobicContact CZ-CD2 4.11Å; F185-Y413 AromaticContact CZ-CE1 3.94Å; F185-Y413 HydrophobicContact CZ-CE1 3.94Å; F185-Y413 HydrophobicContact CZ-CE2 4.4Å; F185-Y413 AromaticContact CZ-CG 3.79Å; F185-Y413 HydrophobicContact CZ-CG 3.79Å |
| 186 | Y | 98.9 | Very high | 98.5 | Very high | 16 Ų | 16 | 43.3 Ų | 43.3 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 131.3 | 179.3 | 171.9 | -112.4 | 0 | 0 | 0 | 111.6 | I111 G188 N189 V192 I196 T208 L209 E210 L211 | I111-Y186 HydrophobicContact CB-CD2 3.86Å; I111-Y186 HydrophobicContact CG2-CD2 3.63Å; I111-Y186 HydrophobicContact CG2-CE2 3.93Å; Y186-G188 WeakPolarHBondContact OH-CA 3.48Å; Y186-N189 PolarHBondContact OH-N 2.74Å; Y186-N189 VanDerWaalsContact OH-N 3.1Å; Y186-V192 HydrophobicContact CE1-CB 4.36Å; Y186-V192 HydrophobicContact CE1-CG1 4.27Å; Y186-V192 HydrophobicContact CE2-CG1 3.97Å; Y186-V192 VanDerWaalsContact OH-CB 3.29Å; Y186-V192 WeakPolarHBondContact OH-CB 3.44Å; Y186-V192 WeakPolarHBondContact OH-CG1 3.23Å; Y186-I196 HydrophobicContact CD1-CD1 3.62Å; Y186-I196 HydrophobicContact CD2-CD1 3.12Å; Y186-I196 HydrophobicContact CE1-CD1 4.02Å; Y186-I196 HydrophobicContact CE2-CD1 3.58Å; Y186-I196 HydrophobicContact CG-CD1 3.13Å; Y186-T208 PolarHBondContact N-O 3.09Å; Y186-L209 HydrophobicContact CD1-CD2 4.16Å; Y186-E210 PolarHBondContact O-N 2.92Å; Y186-L211 HydrophobicContact CD1-CD2 3.8Å; Y186-L211 HydrophobicContact CE1-CD2 3.67Å |
| 187 | T | 98.9 | Very high | 98.5 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 5% | 0.049 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 128.6 | 165.5 | -51.7 | 0 | 0 | 0 | 0 | 109.9 | I111 A113 V120 E210 | I111-T187 PolarHBondContact O-N 3.12Å; I111-T187 VanDerWaalsContact O-N 3.1Å; A113-T187 HydrophobicContact CB-CG2 4Å; V120-T187 HydrophobicContact CB-CG2 4.09Å; V120-T187 HydrophobicContact CG1-CG2 4.22Å; V120-T187 HydrophobicContact CG2-CG2 4.42Å; T187-E210 CarbonylContact C-O 3.57Å; T187-E210 VanDerWaalsContact CA-O 3.32Å; T187-E210 WeakPolarHBondContact CA-O 3.33Å; T187-E210 HydrophobicContact CG2-CB 4.01Å |
| 188 | G | 98.3 | Very high | 98.5 | Very high | 18 Ų | 18 | 53.7 Ų | 53.7 | 19% | 0.186 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 165.1 | -126.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | Y186 E210 L211 | Y186-G188 WeakPolarHBondContact OH-CA 3.48Å; G188-E210 PolarHBondContact N-O 3.15Å; G188-L211 WeakPolarHBondContact O-CA 3.45Å |
| 189 | N | 97.5 | Very high | 98.5 | Very high | 69 Ų | 69 | 47.2 Ų | 47.2 | 37% | 0.369 | 25% | 0.246 | S | C | . | . | trans | -113.8 | 157.4 | -172.1 | 69.9 | 74.4 | 0 | 0 | 0 | 113.2 | Y186 T191 V192 G193 | Y186-N189 PolarHBondContact OH-N 2.74Å; Y186-N189 VanDerWaalsContact OH-N 3.1Å; N189-T191 VanDerWaalsContact C-N 3.29Å; N189-T191 PolarHBondContact O-N 3.46Å; N189-T191 WeakPolarHBondContact OD1-CB 3.45Å; N189-T191 PolarHBondContact OD1-N 3Å; N189-T191 VanDerWaalsContact OD1-N 3.11Å; N189-V192 PolarHBondContact O-N 2.85Å; N189-V192 PolarHBondContact OD1-N 3.33Å; N189-G193 PolarHBondContact O-N 3.36Å | ||
| 190 | G | 96.6 | Very high | 98.5 | Very high | 29 Ų | 29 | 45.3 Ų | 45.3 | 30% | 0.299 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.6 | -35.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | K194 | G190-K194 WeakPolarHBondContact O-CG 3.46Å; G190-K194 PolarHBondContact O-N 3.15Å |
| 191 | T | 97.3 | Very high | 98.5 | Very high | 109 Ų | 109 | 41 Ų | 41 | 67% | 0.669 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -64.9 | -47.7 | 179.5 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | N189 | N189-T191 VanDerWaalsContact C-N 3.29Å; N189-T191 PolarHBondContact O-N 3.46Å; N189-T191 WeakPolarHBondContact OD1-CB 3.45Å; N189-T191 PolarHBondContact OD1-N 3Å; N189-T191 VanDerWaalsContact OD1-N 3.11Å |
| 192 | V | 98.3 | Very high | 98.5 | Very high | 57 Ų | 57 | 48.3 Ų | 48.3 | 35% | 0.345 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -76.1 | -31.9 | 179.1 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | Y186 N189 K194 V195 I196 | Y186-V192 HydrophobicContact CE1-CB 4.36Å; Y186-V192 HydrophobicContact CE1-CG1 4.27Å; Y186-V192 HydrophobicContact CE2-CG1 3.97Å; Y186-V192 VanDerWaalsContact OH-CB 3.29Å; Y186-V192 WeakPolarHBondContact OH-CB 3.44Å; Y186-V192 WeakPolarHBondContact OH-CG1 3.23Å; N189-V192 PolarHBondContact O-N 2.85Å; N189-V192 PolarHBondContact OD1-N 3.33Å; V192-K194 PolarHBondContact O-N 3.3Å; V192-V195 WeakPolarHBondContact O-CB 3.48Å; V192-V195 PolarHBondContact O-N 3.13Å; V192-I196 HydrophobicContact CG1-CD1 3.95Å; V192-I196 HydrophobicContact CG1-CG1 4.35Å; V192-I196 WeakPolarHBondContact O-CG1 3.41Å; V192-I196 PolarHBondContact O-N 3.39Å |
| 193 | G | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.1 | -40 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N189 I196 M197 | N189-G193 PolarHBondContact O-N 3.36Å; G193-I196 PolarHBondContact O-N 3Å; G193-M197 PolarHBondContact O-N 3.49Å |
| 194 | K | 98.8 | Very high | 98.5 | Very high | 149 Ų | 149 | 57.1 Ų | 57.1 | 65% | 0.648 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.2 | -43.5 | 174 | -69 | 170.1 | -175.1 | 178.5 | 0 | 112.5 | G190 V192 I196 M197 E198 | G190-K194 WeakPolarHBondContact O-CG 3.46Å; G190-K194 PolarHBondContact O-N 3.15Å; V192-K194 PolarHBondContact O-N 3.3Å; K194-I196 VanDerWaalsContact C-N 3.3Å; K194-I196 PolarHBondContact O-N 2.99Å; K194-M197 PolarHBondContact O-N 2.88Å; K194-E198 WeakPolarHBondContact O-CB 3.3Å; K194-E198 PolarHBondContact O-N 3.38Å |
| 195 | V | 98.7 | Very high | 98.5 | Very high | 53 Ų | 53 | 57.5 Ų | 57.5 | 32% | 0.321 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 176.9 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | V192 E198 A199 | V192-V195 WeakPolarHBondContact O-CB 3.48Å; V192-V195 PolarHBondContact O-N 3.13Å; V195-E198 PolarHBondContact O-N 2.92Å; V195-A199 PolarHBondContact O-N 2.99Å |
| 196 | I | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.7 | -45.5 | 177.9 | -71.4 | 170.4 | 0 | 0 | 0 | 110.8 | I111 L177 I184 Y186 V192 G193 K194 E198 A199 A200 L209 | I111-I196 HydrophobicContact CD1-CD1 3.95Å; L177-I196 HydrophobicContact CD1-CG1 4.05Å; L177-I196 HydrophobicContact CD2-CG1 4.31Å; L177-I196 HydrophobicContact CD2-CG2 4.41Å; I184-I196 HydrophobicContact CG2-CG2 3.71Å; Y186-I196 HydrophobicContact CD1-CD1 3.62Å; Y186-I196 HydrophobicContact CD2-CD1 3.12Å; Y186-I196 HydrophobicContact CE1-CD1 4.02Å; Y186-I196 HydrophobicContact CE2-CD1 3.58Å; Y186-I196 HydrophobicContact CG-CD1 3.13Å; V192-I196 HydrophobicContact CG1-CD1 3.95Å; V192-I196 HydrophobicContact CG1-CG1 4.35Å; V192-I196 WeakPolarHBondContact O-CG1 3.41Å; V192-I196 PolarHBondContact O-N 3.39Å; G193-I196 PolarHBondContact O-N 3Å; K194-I196 VanDerWaalsContact C-N 3.3Å; K194-I196 PolarHBondContact O-N 2.99Å; I196-E198 VanDerWaalsContact C-N 3.32Å; I196-E198 PolarHBondContact O-N 3.35Å; I196-A199 PolarHBondContact O-N 2.86Å; I196-A200 WeakPolarHBondContact O-CB 3.42Å; I196-A200 PolarHBondContact O-N 3.23Å; I196-L209 HydrophobicContact CG2-CD2 4.14Å |
| 197 | M | 98.8 | Very high | 98.5 | Very high | 90 Ų | 90 | 60.5 Ų | 60.5 | 44% | 0.443 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.3 | -38 | 177.5 | -166.8 | 177.3 | -177.4 | 0 | 0 | 112 | G193 K194 A200 A201 V207 L209 M410 | G193-M197 PolarHBondContact O-N 3.49Å; K194-M197 PolarHBondContact O-N 2.88Å; M197-A200 PolarHBondContact O-N 3.19Å; M197-A201 PolarHBondContact O-N 3.44Å; M197-V207 HydrophobicContact CG-CG2 4.46Å; M197-L209 HydrophobicContact CB-CD1 4.41Å; M197-M410 HydrophobicContact CE-CE 3.83Å; M197-M410 HydrophobicContact CE-SD 4.24Å; M197-M410 HydrophobicContact SD-CE 3.78Å; M197-M410 HydrophobicContact SD-SD 4.48Å |
| 198 | E | 98.8 | Very high | 98.5 | Very high | 136 Ų | 136 | 60.1 Ų | 60.1 | 64% | 0.636 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.8 | -42.8 | 174 | -173.8 | -174.9 | 167.9 | 0 | 0 | 112 | K194 V195 I196 A201 | K194-E198 WeakPolarHBondContact O-CB 3.3Å; K194-E198 PolarHBondContact O-N 3.38Å; V195-E198 PolarHBondContact O-N 2.92Å; I196-E198 VanDerWaalsContact C-N 3.32Å; I196-E198 PolarHBondContact O-N 3.35Å; E198-A201 PolarHBondContact O-N 3.16Å |
| 199 | A | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 59.5 Ų | 59.5 | 7% | 0.074 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | L177 V195 I196 A201 K202 | L177-A199 HydrophobicContact CB-CB 3.85Å; L177-A199 HydrophobicContact CD1-CB 4.38Å; L177-A199 HydrophobicContact CD2-CB 4.25Å; L177-A199 HydrophobicContact CG-CB 4.39Å; V195-A199 PolarHBondContact O-N 2.99Å; I196-A199 PolarHBondContact O-N 2.86Å; A199-A201 VanDerWaalsContact C-N 3.28Å; A199-A201 PolarHBondContact O-N 3.09Å; A199-K202 WeakPolarHBondContact O-CB 3.4Å; A199-K202 PolarHBondContact O-N 2.93Å |
| 200 | A | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 2% | 0.017 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.5 | -36.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I184 I196 M197 K202 H203 L204 T205 V207 | I184-A200 HydrophobicContact CD1-CB 4.01Å; I196-A200 WeakPolarHBondContact O-CB 3.42Å; I196-A200 PolarHBondContact O-N 3.23Å; M197-A200 PolarHBondContact O-N 3.19Å; A200-K202 PolarHBondContact O-N 2.87Å; A200-H203 PolarHBondContact O-N 3.29Å; A200-H203 VanDerWaalsContact O-N 3.1Å; A200-L204 PolarHBondContact O-N 3.28Å; A200-L204 VanDerWaalsContact O-N 3.15Å; A200-T205 WeakPolarHBondContact CB-O 3.39Å; A200-T205 PolarHBondContact O-N 3.21Å; A200-V207 HydrophobicContact CB-CG1 3.5Å; A200-V207 VanDerWaalsContact CB-CG1 3.5Å |
| 201 | A | 98.8 | Very high | 98.7 | Very high | 63 Ų | 63 | 55.5 Ų | 55.5 | 52% | 0.521 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.2 | -29.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | M197 E198 A199 H203 L204 | M197-A201 PolarHBondContact O-N 3.44Å; E198-A201 PolarHBondContact O-N 3.16Å; A199-A201 VanDerWaalsContact C-N 3.28Å; A199-A201 PolarHBondContact O-N 3.09Å; A201-H203 PolarHBondContact O-N 3.01Å; A201-L204 PolarHBondContact O-N 2.78Å |
| 202 | K | 98.6 | Very high | 98.7 | Very high | 156 Ų | 156 | 50.7 Ų | 50.7 | 68% | 0.678 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -25.5 | 178.8 | -62.2 | 178.9 | -179.5 | 173.8 | 0 | 113.4 | A199 A200 | A199-K202 WeakPolarHBondContact O-CB 3.4Å; A199-K202 PolarHBondContact O-N 2.93Å; A200-K202 PolarHBondContact O-N 2.87Å |
| 203 | H | 98.7 | Very high | 98.6 | Very high | 68 Ų | 68 | 49 Ų | 49 | 32% | 0.315 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | 6.2 | -179.2 | -64.2 | -62.8 | 0 | 0 | 0 | 113 | R178 R180 A200 A201 T205 | R178-H203 PolarHBondContact O-NE2 2.71Å; R178-H203 VanDerWaalsContact O-NE2 3.1Å; R180-H203 HydrophobicContact CG-CB 4.27Å; A200-H203 PolarHBondContact O-N 3.29Å; A200-H203 VanDerWaalsContact O-N 3.1Å; A201-H203 PolarHBondContact O-N 3.01Å; H203-T205 WeakPolarHBondContact CB-OG1 3.48Å; H203-T205 PolarHBondContact O-N 3.21Å |
| 204 | L | 98.8 | Very high | 98.6 | Very high | 159 Ų | 159 | 50.8 Ų | 50.8 | 83% | 0.832 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 36.4 | -169.6 | -57.3 | 176.3 | 0 | 0 | 0 | 112.3 | A200 A201 | A200-L204 PolarHBondContact O-N 3.28Å; A200-L204 VanDerWaalsContact O-N 3.15Å; A201-L204 PolarHBondContact O-N 2.78Å |
| 205 | T | 98.9 | Very high | 98.6 | Very high | 12 Ų | 12 | 43.7 Ų | 43.7 | 7% | 0.074 | 24% | 0.238 | C | C | . | . | trans | -79 | 125.2 | -178 | -58 | 0 | 0 | 0 | 0 | 109.9 | F181 I184 A200 H203 | F181-T205 HydrophobicContact CB-CG2 4.27Å; F181-T205 WeakPolarHBondContact O-CG2 3.19Å; F181-T205 PolarHBondContact O-OG1 3.49Å; I184-T205 HydrophobicContact CD1-CG2 4.18Å; I184-T205 HydrophobicContact CG1-CG2 3.84Å; A200-T205 WeakPolarHBondContact CB-O 3.39Å; A200-T205 PolarHBondContact O-N 3.21Å; H203-T205 WeakPolarHBondContact CB-OG1 3.48Å; H203-T205 PolarHBondContact O-N 3.21Å | ||
| 206 | P | 98.9 | Very high | 98.6 | Very high | 64 Ų | 64 | 41.2 Ų | 41.2 | 42% | 0.416 | 22% | 0.223 | S | C | . | . | trans | -65.4 | 152.5 | 171.7 | 27.9 | -35.7 | 0 | 0 | 0 | 111.6 | D182 Y183 I184 | D182-P206 WeakPolarHBondContact O-CD 3.21Å; D182-P206 WeakPolarHBondContact O-CG 3.36Å; Y183-P206 HydrophobicContact CD2-CB 3.92Å; Y183-P206 HydrophobicContact CD2-CG 3.51Å; Y183-P206 HydrophobicContact CE2-CB 3.79Å; Y183-P206 HydrophobicContact CE2-CG 3.91Å; Y183-P206 HydrophobicContact CG-CG 4.42Å; I184-P206 PolarHBondContact N-O 3.4Å | ||
| 207 | V | 98.9 | Very high | 98.6 | Very high | 17 Ų | 17 | 41.1 Ų | 41.1 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 144.5 | -176.5 | -57.4 | 0 | 0 | 0 | 0 | 112.7 | Y183 I184 M197 A200 L209 M410 | Y183-V207 PolarHBondContact OH-O 2.81Å; I184-V207 HydrophobicContact CB-CG1 4.22Å; I184-V207 CarbonylContact O-C 3.5Å; I184-V207 WeakPolarHBondContact O-CA 3.32Å; M197-V207 HydrophobicContact CG-CG2 4.46Å; A200-V207 HydrophobicContact CB-CG1 3.5Å; A200-V207 VanDerWaalsContact CB-CG1 3.5Å; V207-L209 HydrophobicContact CB-CD2 4.21Å; V207-L209 HydrophobicContact CB-CG 4.33Å; V207-L209 HydrophobicContact CG2-CD1 4.21Å; V207-L209 HydrophobicContact CG2-CD2 4.26Å; V207-L209 HydrophobicContact CG2-CG 3.93Å; V207-M410 HydrophobicContact CG2-CG 4.42Å; V207-M410 HydrophobicContact CG2-SD 3.86Å |
| 208 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128.4 | 153.9 | -64 | 0 | 0 | 0 | 0 | 107.8 | Y183 I184 F185 Y186 E210 M410 | Y183-T208 WeakPolarHBondContact CE1-OG1 3.32Å; Y183-T208 PolarHBondContact OH-N 3.07Å; Y183-T208 PolarHBondContact OH-OG1 2.67Å; I184-T208 PolarHBondContact O-N 3.1Å; F185-T208 HydrophobicContact CD2-CG2 3.91Å; F185-T208 HydrophobicContact CE2-CG2 3.5Å; F185-T208 HydrophobicContact CZ-CG2 3.83Å; Y186-T208 PolarHBondContact N-O 3.09Å; T208-E210 HydrophobicContact CG2-CG 4.13Å; T208-M410 WeakPolarHBondContact CA-O 3.34Å |
| 209 | L | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 30.8 Ų | 30.8 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 106.4 | 176.7 | -56.1 | 179.9 | 0 | 0 | 0 | 108.3 | Y186 I196 M197 V207 L211 G409 M410 | Y186-L209 HydrophobicContact CD1-CD2 4.16Å; I196-L209 HydrophobicContact CG2-CD2 4.14Å; M197-L209 HydrophobicContact CB-CD1 4.41Å; V207-L209 HydrophobicContact CB-CD2 4.21Å; V207-L209 HydrophobicContact CB-CG 4.33Å; V207-L209 HydrophobicContact CG2-CD1 4.21Å; V207-L209 HydrophobicContact CG2-CD2 4.26Å; V207-L209 HydrophobicContact CG2-CG 3.93Å; L209-L211 HydrophobicContact CB-CD1 4.09Å; L209-L211 HydrophobicContact CB-CD2 4.11Å; L209-L211 HydrophobicContact CB-CG 4.01Å; L209-G409 CarbonylContact O-C 3.52Å; L209-G409 WeakPolarHBondContact O-CA 3.46Å; L209-M410 HydrophobicContact CB-CG 4.26Å; L209-M410 HydrophobicContact CD1-CE 4.39Å; L209-M410 HydrophobicContact CD1-CG 4.25Å; L209-M410 HydrophobicContact CD1-SD 4.49Å; L209-M410 HydrophobicContact CG-CG 4.19Å; L209-M410 PolarHBondContact N-O 3.09Å; L209-M410 PolarHBondContact O-N 3.14Å |
| 210 | E | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.019 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 99.8 | 172.3 | -65 | -61.4 | 155.6 | 0 | 0 | 108.5 | F185 Y186 T187 G188 T208 F402 G403 Y413 | F185-E210 HydrophobicContact CE1-CG 3.99Å; F185-E210 HydrophobicContact CZ-CG 3.8Å; Y186-E210 PolarHBondContact O-N 2.92Å; T187-E210 CarbonylContact C-O 3.57Å; T187-E210 VanDerWaalsContact CA-O 3.32Å; T187-E210 WeakPolarHBondContact CA-O 3.33Å; T187-E210 HydrophobicContact CG2-CB 4.01Å; G188-E210 PolarHBondContact N-O 3.15Å; T208-E210 HydrophobicContact CG2-CG 4.13Å; E210-F402 WeakPolarHBondContact OE2-CE1 3.36Å; E210-G403 WeakPolarHBondContact OE1-CA 3.36Å; E210-G403 WeakPolarHBondContact OE2-CA 3.48Å; E210-Y413 HydrophobicContact CG-CD1 4.2Å; E210-Y413 HydrophobicContact CG-CE1 3.89Å; E210-Y413 WeakPolarHBondContact OE1-CD1 3.25Å |
| 211 | L | 98.7 | Very high | 98.4 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 5% | 0.052 | 20% | 0.196 | C | C | . | . | trans | -112.4 | 178.8 | -171.2 | -45.4 | 172.6 | 0 | 0 | 0 | 111 | Y186 G188 L209 L362 S408 | Y186-L211 HydrophobicContact CD1-CD2 3.8Å; Y186-L211 HydrophobicContact CE1-CD2 3.67Å; G188-L211 WeakPolarHBondContact O-CA 3.45Å; L209-L211 HydrophobicContact CB-CD1 4.09Å; L209-L211 HydrophobicContact CB-CD2 4.11Å; L209-L211 HydrophobicContact CB-CG 4.01Å; L211-L362 WeakPolarHBondContact O-CD2 3.45Å; L211-S408 CarbonylContact C-O 3.48Å; L211-S408 WeakPolarHBondContact CA-O 3.35Å; L211-S408 WeakPolarHBondContact CB-O 3.36Å; L211-S408 PolarHBondContact N-O 2.77Å | ||
| 212 | G | 96.6 | Very high | 98 | Very high | 8 Ų | 8 | 38.1 Ų | 38.1 | 8% | 0.082 | 20% | 0.198 | C | C | . | . | trans | -95.7 | -161.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | E334 S408 | G212-E334 WeakPolarHBondContact CA-OE1 3.45Å; G212-S408 WeakPolarHBondContact O-CA 3.47Å; G212-S408 WeakPolarHBondContact O-CB 3.24Å | ||
| 213 | G | 97.1 | Very high | 97.9 | Very high | 22 Ų | 22 | 31.9 Ų | 31.9 | 23% | 0.227 | 17% | 0.173 | C | C | . | . | trans | 152 | 170.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | S215 E334 | G213-S215 PolarHBondContact O-N 3.22Å; G213-E334 PolarHBondContact N-OE1 3.14Å | ||
| 214 | K | 98.8 | Very high | 97.8 | Very high | 37 Ų | 37 | 32.7 Ų | 32.7 | 16% | 0.161 | 18% | 0.18 | C | C | . | . | trans | -86.5 | 92.6 | 179.5 | -59.8 | -180 | 71 | 67 | 0 | 109.7 | P216 D248 Y249 V330 M331 E333 | K214-P216 WeakPolarHBondContact O-CD 3.27Å; K214-D248 HydrophobicContact CB-CB 4.12Å; K214-D248 WeakPolarHBondContact CE-OD1 3.26Å; K214-D248 IonicContact NZ-OD1 2.86Å; K214-D248 PolarHBondContact NZ-OD1 3.4Å; K214-Y249 HydrophobicContact CB-CD1 4.09Å; K214-Y249 HydrophobicContact CB-CE1 3.74Å; K214-V330 PolarHBondContact NZ-O 3.35Å; K214-M331 WeakPolarHBondContact CD-O 3.34Å; K214-M331 VanDerWaalsContact CE-O 3.28Å; K214-M331 WeakPolarHBondContact CE-O 3.42Å; K214-E333 WeakPolarHBondContact CD-O 3.39Å; K214-E333 PolarHBondContact NZ-O 2.7Å | ||
| 215 | S | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -67.7 | 108.1 | 179.7 | -61.8 | 0 | 0 | 0 | 0 | 111.2 | G213 C244 A246 D248 A363 | G213-S215 PolarHBondContact O-N 3.22Å; S215-C244 PolarHBondContact OG-O 3.17Å; S215-A246 WeakPolarHBondContact CB-O 3.36Å; S215-D248 PolarHBondContact O-N 3.34Å; S215-A363 VanDerWaalsContact CA-O 3.26Å; S215-A363 WeakPolarHBondContact CA-O 3.17Å; S215-A363 WeakPolarHBondContact CB-O 3.15Å; S215-A363 PolarHBondContact OG-N 2.75Å; S215-A363 PolarHBondContact OG-O 3.05Å | ||
| 216 | P | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 150.4 | -177.9 | 27.5 | -32.9 | 0 | 0 | 0 | 112.2 | K214 Y249 I355 P361 A363 L364 Y365 | K214-P216 WeakPolarHBondContact O-CD 3.27Å; P216-Y249 HydrophobicContact CB-CE1 4.13Å; P216-Y249 HydrophobicContact CB-CE2 4Å; P216-Y249 WeakPolarHBondContact CB-OH 3.4Å; P216-I355 HydrophobicContact CB-CD1 3.92Å; P216-I355 HydrophobicContact CB-CG1 3.87Å; P216-I355 HydrophobicContact CG-CD1 3.93Å; P216-I355 HydrophobicContact CG-CG1 3.93Å; P216-I355 HydrophobicContact CG-CG2 4.22Å; P216-P361 HydrophobicContact CG-CG 4.26Å; P216-A363 WeakPolarHBondContact CD-O 3.29Å; P216-L364 HydrophobicContact CG-CB 4.34Å; P216-L364 HydrophobicContact CG-CD1 3.96Å; P216-L364 HydrophobicContact CG-CG 3.9Å; P216-Y365 PolarHBondContact O-N 2.81Å |
| 217 | C | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 104.5 | 170.9 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | I232 P247 Y249 I250 L251 Y365 F367 | C217-I232 WeakPolarHBondContact SG-CD1 3.03Å; C217-P247 HydrophobicContact CB-CB 4Å; C217-Y249 WeakPolarHBondContact CB-O 3.5Å; C217-Y249 PolarHBondContact N-O 3.03Å; C217-I250 HydrophobicContact CB-CG1 4.4Å; C217-I250 CarbonylContact O-C 3.52Å; C217-I250 VanDerWaalsContact O-CA 3.27Å; C217-I250 WeakPolarHBondContact O-CA 3.31Å; C217-L251 PolarHBondContact O-N 2.7Å; C217-Y365 WeakPolarHBondContact CA-O 3.49Å; C217-F367 VanDerWaalsContact SG-CE2 3.51Å |
| 218 | Y | 98.9 | Very high | 97.8 | Very high | 8 Ų | 8 | 26.3 Ų | 26.3 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 131.1 | 175.6 | -179.5 | -107.1 | 0 | 0 | 0 | 111.1 | D220 L251 V345 L348 A351 Y365 V366 F367 V373 M377 | Y218-D220 HydrophobicContact CE1-CB 3.92Å; Y218-L251 WeakPolarHBondContact CA-O 3.29Å; Y218-L251 HydrophobicContact CD2-CB 3.99Å; Y218-L251 WeakPolarHBondContact CD2-O 3.45Å; Y218-V345 HydrophobicContact CE2-CG2 4.21Å; Y218-L348 HydrophobicContact CD1-CD1 4.38Å; Y218-L348 HydrophobicContact CE1-CD1 4.06Å; Y218-L348 PolarHBondContact OH-N 2.97Å; Y218-A351 HydrophobicContact CD2-CB 3.47Å; Y218-A351 VanDerWaalsContact CD2-CB 3.47Å; Y218-A351 HydrophobicContact CE2-CB 3.67Å; Y218-A351 HydrophobicContact CG-CB 4.28Å; Y218-Y365 PolarHBondContact N-O 2.64Å; Y218-V366 HydrophobicContact CD1-CG2 4.1Å; Y218-V366 CarbonylContact O-C 3.47Å; Y218-F367 PolarHBondContact O-N 2.88Å; Y218-V373 HydrophobicContact CD1-CG1 4.49Å; Y218-V373 HydrophobicContact CE1-CG1 4.01Å; Y218-M377 HydrophobicContact CD1-CE 3.82Å; Y218-M377 HydrophobicContact CD2-CE 4.37Å; Y218-M377 HydrophobicContact CG-CE 3.65Å |
| 219 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 115.2 | 172.3 | -54.1 | 177.3 | 0 | 0 | 0 | 108.5 | I232 I250 L251 C252 I256 V260 | I219-I232 HydrophobicContact CD1-CD1 3.53Å; I219-I232 HydrophobicContact CG1-CD1 3.89Å; I219-I250 HydrophobicContact CD1-CD1 4.15Å; I219-I250 HydrophobicContact CD1-CG1 4.5Å; I219-I250 HydrophobicContact CD1-CG2 3.8Å; I219-I250 HydrophobicContact CG1-CG2 4.09Å; I219-L251 PolarHBondContact N-O 3.3Å; I219-C252 HydrophobicContact CB-CB 4.25Å; I219-I256 HydrophobicContact CG2-CD1 4.14Å; I219-V260 HydrophobicContact CD1-CG1 4.05Å; I219-V260 HydrophobicContact CD1-CG2 4.01Å |
| 220 | D | 98.2 | Very high | 97.8 | Very high | 21 Ų | 21 | 31.2 Ų | 31.2 | 11% | 0.112 | 16% | 0.162 | C | C | . | . | trans | -75.1 | 153.9 | 173.3 | -176.1 | 23.5 | 0 | 0 | 0 | 111.3 | Y218 N222 C223 F367 S368 V373 | Y218-D220 HydrophobicContact CE1-CB 3.92Å; D220-N222 PolarHBondContact O-N 3.18Å; D220-C223 PolarHBondContact O-SG 2.77Å; D220-C223 VanDerWaalsContact O-SG 3.41Å; D220-F367 VanDerWaalsContact CB-O 3.26Å; D220-F367 WeakPolarHBondContact CB-O 3.31Å; D220-F367 PolarHBondContact N-O 3.45Å; D220-S368 PolarHBondContact OD2-OG 3.43Å; D220-V373 HydrophobicContact CB-CG1 4.43Å | ||
| 221 | K | 95 | Very high | 97.8 | Very high | 105 Ų | 105 | 35.6 Ų | 35.6 | 46% | 0.457 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -63.5 | -33.8 | 174.4 | -66.2 | -173.2 | -177.2 | -176.4 | 0 | 111.9 | C223 D253 S255 I256 | K221-C223 VanDerWaalsContact C-N 3.31Å; K221-C223 PolarHBondContact O-N 3.3Å; K221-D253 HydrophobicContact CD-CB 4.31Å; K221-D253 WeakPolarHBondContact CE-OD1 3.47Å; K221-D253 WeakPolarHBondContact CE-OD2 3.39Å; K221-D253 HydrophobicContact CG-CB 4.11Å; K221-D253 IonicContact NZ-OD1 2.61Å; K221-D253 PolarHBondContact NZ-OD1 3.29Å; K221-D253 IonicContact NZ-OD2 3.28Å; K221-D253 PolarHBondContact NZ-OD2 3.41Å; K221-S255 WeakPolarHBondContact CE-OG 3.12Å; K221-S255 PolarHBondContact NZ-OG 3.27Å; K221-I256 HydrophobicContact CG-CD1 4.47Å; K221-I256 HydrophobicContact CG-CG2 4.13Å |
| 222 | N | 90.6 | Very high | 97.8 | Very high | 103 Ų | 103 | 35.1 Ų | 35.1 | 55% | 0.551 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -92.3 | 60.2 | -177 | -167.6 | 30.7 | 0 | 0 | 0 | 111.2 | D220 A369 | D220-N222 PolarHBondContact O-N 3.18Å; N222-A369 WeakPolarHBondContact O-CB 3.45Å; N222-A369 PolarHBondContact O-N 2.93Å |
| 223 | C | 95.1 | Very high | 97.9 | Very high | 24 Ų | 24 | 34.8 Ų | 34.8 | 16% | 0.162 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -143 | 165.8 | 172.1 | 84.7 | 0 | 0 | 0 | 0 | 111.5 | D220 K221 I225 | D220-C223 PolarHBondContact O-SG 2.77Å; D220-C223 VanDerWaalsContact O-SG 3.41Å; K221-C223 VanDerWaalsContact C-N 3.31Å; K221-C223 PolarHBondContact O-N 3.3Å; C223-I225 PolarHBondContact O-N 3.35Å |
| 224 | D | 98 | Very high | 98 | Very high | 85 Ų | 85 | 37.6 Ų | 37.6 | 46% | 0.455 | 18% | 0.176 | S | C | . | . | trans | -73.3 | 95.3 | 166.1 | -171.1 | -31.3 | 0 | 0 | 0 | 109.2 | S226 I227 A228 | D224-S226 PolarHBondContact O-N 3.3Å; D224-S226 WeakPolarHBondContact OD1-CB 3.4Å; D224-S226 PolarHBondContact OD1-N 3.49Å; D224-I227 HydrophobicContact CB-CB 4.15Å; D224-I227 HydrophobicContact CB-CD1 4.12Å; D224-I227 HydrophobicContact CB-CG1 4.25Å; D224-I227 PolarHBondContact O-N 2.99Å; D224-I227 PolarHBondContact OD1-N 3.37Å; D224-I227 VanDerWaalsContact OD1-N 3.07Å; D224-I227 VanDerWaalsContact OD2-CD1 3.23Å; D224-I227 WeakPolarHBondContact OD2-CD1 3.49Å; D224-I227 WeakPolarHBondContact OD2-CG1 3.01Å; D224-A228 WeakPolarHBondContact O-CB 3.34Å; D224-A228 PolarHBondContact O-N 3.11Å | ||
| 225 | I | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.3 | -31.3 | -178.6 | -66.5 | 170.4 | 0 | 0 | 0 | 111.5 | C223 C229 I256 R259 V260 E263 | C223-I225 PolarHBondContact O-N 3.35Å; I225-C229 VanDerWaalsContact O-CB 3.24Å; I225-C229 WeakPolarHBondContact O-CB 3.46Å; I225-C229 PolarHBondContact O-N 3.05Å; I225-C229 PolarHBondContact O-SG 2.94Å; I225-I256 HydrophobicContact CD1-CB 3.99Å; I225-I256 HydrophobicContact CD1-CD1 4.26Å; I225-I256 HydrophobicContact CD1-CG2 4.04Å; I225-R259 HydrophobicContact CD1-CG 4.47Å; I225-R259 HydrophobicContact CG2-CG 4.06Å; I225-V260 HydrophobicContact CG2-CG2 3.95Å; I225-E263 HydrophobicContact CG2-CG 4.36Å |
| 226 | S | 98.6 | Very high | 98 | Very high | 35 Ų | 35 | 35.9 Ų | 35.9 | 25% | 0.245 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.9 | -47 | -180 | -167.3 | 0 | 0 | 0 | 0 | 110.6 | D224 R230 E263 | D224-S226 PolarHBondContact O-N 3.3Å; D224-S226 WeakPolarHBondContact OD1-CB 3.4Å; D224-S226 PolarHBondContact OD1-N 3.49Å; S226-R230 WeakPolarHBondContact O-CB 3.45Å; S226-R230 PolarHBondContact O-N 3.4Å; S226-E263 WeakPolarHBondContact CB-OE2 3.21Å; S226-E263 PolarHBondContact OG-OE2 3.22Å |
| 227 | I | 98.7 | Very high | 98 | Very high | 81 Ų | 81 | 35.9 Ų | 35.9 | 42% | 0.415 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.6 | -45.4 | 175.5 | -65.2 | 176.5 | 0 | 0 | 0 | 110.9 | D224 R230 R231 | D224-I227 HydrophobicContact CB-CB 4.15Å; D224-I227 HydrophobicContact CB-CD1 4.12Å; D224-I227 HydrophobicContact CB-CG1 4.25Å; D224-I227 PolarHBondContact O-N 2.99Å; D224-I227 PolarHBondContact OD1-N 3.37Å; D224-I227 VanDerWaalsContact OD1-N 3.07Å; D224-I227 VanDerWaalsContact OD2-CD1 3.23Å; D224-I227 WeakPolarHBondContact OD2-CD1 3.49Å; D224-I227 WeakPolarHBondContact OD2-CG1 3.01Å; I227-R230 PolarHBondContact O-N 2.95Å; I227-R231 PolarHBondContact O-N 2.9Å |
| 228 | A | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.5 | -52.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D224 R230 R231 I232 F367 | D224-A228 WeakPolarHBondContact O-CB 3.34Å; D224-A228 PolarHBondContact O-N 3.11Å; A228-R230 VanDerWaalsContact C-N 3.32Å; A228-R230 PolarHBondContact O-N 2.89Å; A228-R231 PolarHBondContact O-N 3.39Å; A228-I232 WeakPolarHBondContact O-CB 3.49Å; A228-I232 WeakPolarHBondContact O-CD1 3.48Å; A228-I232 WeakPolarHBondContact O-CG1 3.18Å; A228-I232 PolarHBondContact O-N 3.07Å; A228-F367 HydrophobicContact CB-CB 4.01Å; A228-F367 HydrophobicContact CB-CD1 3.4Å; A228-F367 VanDerWaalsContact CB-CD1 3.4Å; A228-F367 HydrophobicContact CB-CE1 4.02Å; A228-F367 HydrophobicContact CB-CG 3.8Å |
| 229 | C | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.7 | -36.3 | -179.6 | -67.4 | 0 | 0 | 0 | 0 | 112.4 | I225 T233 E263 V264 | I225-C229 VanDerWaalsContact O-CB 3.24Å; I225-C229 WeakPolarHBondContact O-CB 3.46Å; I225-C229 PolarHBondContact O-N 3.05Å; I225-C229 PolarHBondContact O-SG 2.94Å; C229-T233 WeakPolarHBondContact O-CB 3.28Å; C229-T233 PolarHBondContact O-N 3.22Å; C229-T233 PolarHBondContact O-OG1 3.35Å; C229-E263 HydrophobicContact CB-CB 3.56Å; C229-V264 HydrophobicContact CB-CG2 3.85Å |
| 230 | R | 98.9 | Very high | 97.8 | Very high | 109 Ų | 109 | 36.6 Ų | 36.6 | 41% | 0.411 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.6 | -47.3 | 174.8 | -174.8 | 176.8 | -178.2 | 76 | -7.7 | 112 | S226 I227 A228 T233 W234 S267 D270 F271 | S226-R230 WeakPolarHBondContact O-CB 3.45Å; S226-R230 PolarHBondContact O-N 3.4Å; I227-R230 PolarHBondContact O-N 2.95Å; A228-R230 VanDerWaalsContact C-N 3.32Å; A228-R230 PolarHBondContact O-N 2.89Å; R230-T233 PolarHBondContact O-N 2.8Å; R230-W234 PolarHBondContact O-N 2.99Å; R230-W234 VanDerWaalsContact O-N 3.07Å; R230-S267 WeakPolarHBondContact CA-OG 3.08Å; R230-D270 IonicContact CZ-OD2 3.26Å; R230-D270 VanDerWaalsContact CZ-OD2 3.24Å; R230-D270 IonicContact NH1-OD2 3.82Å; R230-D270 PolarHBondContact NH1-OD2 2.99Å; R230-D270 IonicContact NH2-OD2 2.67Å; R230-D270 PolarHBondContact NH2-OD2 3.49Å; R230-F271 HydrophobicContact CG-CE1 4.46Å; R230-F271 HydrophobicContact CG-CZ 3.71Å; R230-F271 VanDerWaalsContact NH1-CE1 3.33Å |
| 231 | R | 98.9 | Very high | 97.8 | Very high | 97 Ų | 97 | 35.7 Ų | 35.7 | 37% | 0.366 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.6 | -43.8 | 177.8 | -72.7 | 176.6 | 168.8 | 162.5 | 2.2 | 112.1 | I227 A228 W234 G235 F367 N389 D390 | I227-R231 PolarHBondContact O-N 2.9Å; A228-R231 PolarHBondContact O-N 3.39Å; R231-W234 PolarHBondContact O-N 2.91Å; R231-G235 PolarHBondContact O-N 3.27Å; R231-F367 HydrophobicContact CB-CE1 4.13Å; R231-F367 HydrophobicContact CB-CZ 4.24Å; R231-N389 WeakPolarHBondContact CD-O 3.26Å; R231-N389 PolarHBondContact NH1-O 2.74Å; R231-D390 WeakPolarHBondContact CD-OD1 3.07Å; R231-D390 IonicContact CZ-OD2 3.79Å; R231-D390 IonicContact NE-OD1 2.57Å; R231-D390 IonicContact NE-OD2 2.93Å |
| 232 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.6 | -43.1 | 176.5 | -66 | 163.2 | 0 | 0 | 0 | 110.9 | C217 I219 A228 W234 G235 K236 P247 I250 L340 F367 | C217-I232 WeakPolarHBondContact SG-CD1 3.03Å; I219-I232 HydrophobicContact CD1-CD1 3.53Å; I219-I232 HydrophobicContact CG1-CD1 3.89Å; A228-I232 WeakPolarHBondContact O-CB 3.49Å; A228-I232 WeakPolarHBondContact O-CD1 3.48Å; A228-I232 WeakPolarHBondContact O-CG1 3.18Å; A228-I232 PolarHBondContact O-N 3.07Å; I232-W234 PolarHBondContact O-N 3.26Å; I232-G235 PolarHBondContact O-N 3.29Å; I232-K236 WeakPolarHBondContact O-CB 3.15Å; I232-K236 PolarHBondContact O-N 3.3Å; I232-P247 HydrophobicContact CG2-CB 4.31Å; I232-P247 HydrophobicContact CG2-CG 4.02Å; I232-I250 HydrophobicContact CD1-CD1 4.45Å; I232-I250 HydrophobicContact CG2-CD1 4.05Å; I232-I250 HydrophobicContact CG2-CG1 4.41Å; I232-L340 HydrophobicContact CG2-CD2 4.22Å; I232-F367 HydrophobicContact CD1-CD2 3.94Å; I232-F367 HydrophobicContact CD1-CE2 3.73Å; I232-F367 HydrophobicContact CD1-CZ 4.15Å; I232-F367 HydrophobicContact CG1-CD2 4.26Å; I232-F367 HydrophobicContact CG1-CE1 4.49Å; I232-F367 HydrophobicContact CG1-CE2 3.53Å; I232-F367 HydrophobicContact CG1-CZ 3.66Å |
| 233 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.7 | -47.2 | 177.7 | -60.7 | 0 | 0 | 0 | 0 | 110.6 | C229 R230 K236 Y237 I268 F271 | C229-T233 WeakPolarHBondContact O-CB 3.28Å; C229-T233 PolarHBondContact O-N 3.22Å; C229-T233 PolarHBondContact O-OG1 3.35Å; R230-T233 PolarHBondContact O-N 2.8Å; T233-K236 PolarHBondContact O-N 3.21Å; T233-Y237 HydrophobicContact CG2-CD2 3.59Å; T233-Y237 HydrophobicContact CG2-CE2 3.88Å; T233-Y237 WeakPolarHBondContact O-CD2 3.48Å; T233-Y237 PolarHBondContact O-N 2.6Å; T233-I268 HydrophobicContact CG2-CG1 3.77Å; T233-F271 HydrophobicContact CG2-CD2 3.79Å; T233-F271 HydrophobicContact CG2-CE2 3.88Å |
| 234 | W | 98.8 | Very high | 98.5 | Very high | 81 Ų | 81 | 26 Ų | 26 | 31% | 0.307 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -59.3 | -50.6 | 175.5 | 167.2 | 72.4 | 0 | 0 | 0 | 111.1 | F62 R230 R231 I232 K236 T238 F271 C391 L392 V393 | F62-W234 HydrophobicContact CE1-CZ2 4.11Å; F62-W234 HydrophobicContact CZ-CZ2 4.45Å; R230-W234 PolarHBondContact O-N 2.99Å; R230-W234 VanDerWaalsContact O-N 3.07Å; R231-W234 PolarHBondContact O-N 2.91Å; I232-W234 PolarHBondContact O-N 3.26Å; W234-K236 VanDerWaalsContact C-N 3.3Å; W234-K236 PolarHBondContact O-N 3.13Å; W234-T238 VanDerWaalsContact O-CB 3.32Å; W234-T238 WeakPolarHBondContact O-CB 3.26Å; W234-T238 PolarHBondContact O-N 2.84Å; W234-T238 VanDerWaalsContact O-N 3.09Å; W234-T238 PolarHBondContact O-OG1 3.27Å; W234-F271 HydrophobicContact CB-CE2 3.86Å; W234-F271 HydrophobicContact CB-CZ 4.21Å; W234-C391 VanDerWaalsContact CZ3-O 3.3Å; W234-C391 WeakPolarHBondContact CZ3-O 3.39Å; W234-L392 HydrophobicContact CH2-CB 4.04Å; W234-L392 HydrophobicContact CH2-CD1 4.02Å; W234-L392 HydrophobicContact CH2-CG 4.47Å; W234-L392 HydrophobicContact CZ2-CD1 4.32Å; W234-L392 HydrophobicContact CZ3-CB 4.08Å; W234-L392 HydrophobicContact CZ3-CD1 4.13Å; W234-L392 HydrophobicContact CZ3-CG 4.31Å; W234-V393 HydrophobicContact CH2-CG1 4.03Å; W234-V393 HydrophobicContact CZ3-CG1 4.06Å |
| 235 | G | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.3 | -36.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R231 I232 | R231-G235 PolarHBondContact O-N 3.27Å; I232-G235 PolarHBondContact O-N 3.29Å |
| 236 | K | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 0% | 0.004 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -75.1 | -45.6 | -177.8 | 177.8 | 58.9 | -179.6 | -171.3 | 0 | 112.9 | I232 T233 W234 G241 P247 D248 G337 I339 L340 | I232-K236 WeakPolarHBondContact O-CB 3.15Å; I232-K236 PolarHBondContact O-N 3.3Å; T233-K236 PolarHBondContact O-N 3.21Å; W234-K236 VanDerWaalsContact C-N 3.3Å; W234-K236 PolarHBondContact O-N 3.13Å; K236-G241 WeakPolarHBondContact O-CA 3.35Å; K236-G241 PolarHBondContact O-N 3.28Å; K236-P247 HydrophobicContact CB-CG 4.04Å; K236-P247 WeakPolarHBondContact CD-O 3.47Å; K236-P247 PolarHBondContact NZ-O 2.63Å; K236-D248 PolarHBondContact NZ-O 3.46Å; K236-G337 VanDerWaalsContact CE-O 3.29Å; K236-G337 WeakPolarHBondContact CE-O 3.24Å; K236-G337 PolarHBondContact NZ-O 2.98Å; K236-I339 WeakPolarHBondContact CE-O 3.49Å; K236-I339 PolarHBondContact NZ-O 3.28Å; K236-L340 HydrophobicContact CD-CB 4.42Å; K236-L340 HydrophobicContact CD-CD1 4.09Å; K236-L340 HydrophobicContact CG-CB 4.15Å; K236-L340 HydrophobicContact CG-CD1 4.24Å; K236-L340 HydrophobicContact CG-CD2 4.43Å |
| 237 | Y | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 0% | 0.004 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -100.4 | -9.1 | -166.8 | -60.4 | -66 | 0 | 0 | 0 | 113.3 | T233 N239 C240 V264 I268 Y272 P318 T319 V320 P338 | T233-Y237 HydrophobicContact CG2-CD2 3.59Å; T233-Y237 HydrophobicContact CG2-CE2 3.88Å; T233-Y237 WeakPolarHBondContact O-CD2 3.48Å; T233-Y237 PolarHBondContact O-N 2.6Å; Y237-N239 PolarHBondContact O-N 2.87Å; Y237-C240 WeakPolarHBondContact O-CA 3.18Å; Y237-C240 PolarHBondContact O-N 3.3Å; Y237-V264 HydrophobicContact CE2-CG1 4.35Å; Y237-I268 HydrophobicContact CD2-CG1 4.1Å; Y237-I268 HydrophobicContact CE2-CD1 3.76Å; Y237-I268 HydrophobicContact CE2-CG1 3.71Å; Y237-Y272 WeakPolarHBondContact CB-OH 3.43Å; Y237-Y272 HydrophobicContact CG-CE2 4.35Å; Y237-Y272 PolarHBondContact O-OH 3.35Å; Y237-P318 HydrophobicContact CD1-CB 3.7Å; Y237-P318 HydrophobicContact CD1-CG 4.35Å; Y237-P318 HydrophobicContact CD2-CB 4.39Å; Y237-P318 VanDerWaalsContact CE1-CA 3.48Å; Y237-P318 HydrophobicContact CE1-CB 3.58Å; Y237-P318 HydrophobicContact CE2-CB 4.29Å; Y237-P318 HydrophobicContact CG-CB 4.13Å; Y237-T319 PolarHBondContact OH-O 3.39Å; Y237-V320 WeakPolarHBondContact OH-CG2 3.35Å; Y237-P338 HydrophobicContact CD1-CB 3.81Å; Y237-P338 HydrophobicContact CE1-CB 4.12Å; Y237-P338 WeakPolarHBondContact CE1-O 3.32Å |
| 238 | T | 97.3 | Very high | 98.6 | Very high | 9 Ų | 9 | 17.7 Ų | 17.7 | 6% | 0.055 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -52.7 | 133 | 164.3 | -66.4 | 0 | 0 | 0 | 0 | 109.8 | F62 W234 C240 G241 | F62-T238 HydrophobicContact CD1-CG2 4.19Å; F62-T238 HydrophobicContact CD2-CG2 4.3Å; F62-T238 HydrophobicContact CE1-CG2 3.76Å; F62-T238 HydrophobicContact CE2-CG2 3.9Å; F62-T238 HydrophobicContact CG-CG2 4.46Å; F62-T238 HydrophobicContact CZ-CG2 3.6Å; W234-T238 VanDerWaalsContact O-CB 3.32Å; W234-T238 WeakPolarHBondContact O-CB 3.26Å; W234-T238 PolarHBondContact O-N 2.84Å; W234-T238 VanDerWaalsContact O-N 3.09Å; W234-T238 PolarHBondContact O-OG1 3.27Å; T238-C240 PolarHBondContact O-N 3.01Å; T238-C240 VanDerWaalsContact O-N 3.15Å; T238-G241 PolarHBondContact O-N 2.87Å |
| 239 | N | 98 | Very high | 98.6 | Very high | 12 Ų | 12 | 18.2 Ų | 18.2 | 6% | 0.064 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | 55.5 | 27.5 | -176.5 | -153.9 | 46.3 | 0 | 0 | 0 | 114.1 | K54 N115 Y116 Y237 G241 Q242 | K54-N239 WeakPolarHBondContact CE-OD1 3.34Å; K54-N239 PolarHBondContact NZ-OD1 3.4Å; N115-N239 PolarHBondContact O-ND2 3.01Å; Y116-N239 HydrophobicContact CE1-CB 4.32Å; Y116-N239 WeakPolarHBondContact OH-CB 3.4Å; Y237-N239 PolarHBondContact O-N 2.87Å; N239-G241 PolarHBondContact O-N 2.71Å; N239-Q242 PolarHBondContact ND2-O 2.86Å; N239-Q242 VanDerWaalsContact ND2-O 3.12Å; N239-Q242 WeakPolarHBondContact O-CB 3.41Å; N239-Q242 PolarHBondContact O-N 2.82Å; N239-Q242 PolarHBondContact O-NE2 2.91Å |
| 240 | C | 97.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.014 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | 55.2 | 33.2 | -171.1 | -66.2 | 0 | 0 | 0 | 0 | 113.5 | Y237 T238 Q242 G283 I285 G337 P338 | Y237-C240 WeakPolarHBondContact O-CA 3.18Å; Y237-C240 PolarHBondContact O-N 3.3Å; T238-C240 PolarHBondContact O-N 3.01Å; T238-C240 VanDerWaalsContact O-N 3.15Å; C240-Q242 PolarHBondContact O-N 2.89Å; C240-G283 WeakPolarHBondContact SG-CA 3.44Å; C240-G283 PolarHBondContact SG-N 3.36Å; C240-G283 VanDerWaalsContact SG-N 3.41Å; C240-G283 PolarHBondContact SG-O 3.2Å; C240-I285 HydrophobicContact CB-CD1 4.23Å; C240-G337 CarbonylContact O-C 3.51Å; C240-G337 WeakPolarHBondContact O-CA 3.46Å; C240-P338 WeakPolarHBondContact O-CD 3.47Å; C240-P338 VanDerWaalsContact O-N 3.13Å |
| 241 | G | 98.4 | Very high | 98.6 | Very high | 2 Ų | 2 | 13 Ų | 13 | 2% | 0.021 | 6% | 0.059 | C | C | . | . | G | 310 helix | trans | 70 | 11.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | K236 T238 N239 T243 F336 G337 | K236-G241 WeakPolarHBondContact O-CA 3.35Å; K236-G241 PolarHBondContact O-N 3.28Å; T238-G241 PolarHBondContact O-N 2.87Å; N239-G241 PolarHBondContact O-N 2.71Å; G241-T243 PolarHBondContact O-N 3.3Å; G241-F336 CarbonylContact O-C 3.59Å; G241-F336 WeakPolarHBondContact O-CA 3.39Å; G241-G337 PolarHBondContact O-N 3.39Å |
| 242 | Q | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.041 | C | C | . | . | trans | -81.7 | 62.6 | 174.7 | -61.2 | 169.7 | 116.7 | 0 | 0 | 109.6 | W114 N115 N239 C240 R284 F336 | W114-Q242 HydrophobicContact CH2-CB 4.1Å; W114-Q242 HydrophobicContact CH2-CG 4.1Å; W114-Q242 HydrophobicContact CZ3-CB 4Å; W114-Q242 HydrophobicContact CZ3-CG 4.19Å; N115-Q242 HydrophobicContact CB-CB 4.43Å; N115-Q242 VanDerWaalsContact CB-O 3.25Å; N115-Q242 WeakPolarHBondContact CB-O 3.49Å; N115-Q242 PolarHBondContact ND2-O 2.76Å; N239-Q242 PolarHBondContact ND2-O 2.86Å; N239-Q242 VanDerWaalsContact ND2-O 3.12Å; N239-Q242 WeakPolarHBondContact O-CB 3.41Å; N239-Q242 PolarHBondContact O-N 2.82Å; N239-Q242 PolarHBondContact O-NE2 2.91Å; C240-Q242 PolarHBondContact O-N 2.89Å; Q242-R284 PolarHBondContact NE2-O 3.33Å; Q242-F336 HydrophobicContact CB-CD1 3.82Å; Q242-F336 HydrophobicContact CB-CE1 3.72Å; Q242-F336 HydrophobicContact CB-CZ 4.49Å; Q242-F336 HydrophobicContact CG-CD1 4.13Å; Q242-F336 HydrophobicContact CG-CE1 4.45Å | ||
| 243 | T | 98.8 | Very high | 98.6 | Very high | 11 Ų | 11 | 9.6 Ų | 9.6 | 7% | 0.067 | 5% | 0.048 | C | C | . | . | trans | -144.4 | 123.7 | -172.3 | -51.9 | 0 | 0 | 0 | 0 | 109.2 | Y116 G241 I245 A246 L392 | Y116-T243 HydrophobicContact CE2-CG2 3.74Å; Y116-T243 WeakPolarHBondContact CE2-OG1 3.48Å; Y116-T243 PolarHBondContact OH-OG1 3.41Å; G241-T243 PolarHBondContact O-N 3.3Å; T243-I245 HydrophobicContact CG2-CG1 3.79Å; T243-I245 PolarHBondContact O-N 3.04Å; T243-I245 VanDerWaalsContact O-N 3.1Å; T243-A246 WeakPolarHBondContact O-CB 3.17Å; T243-A246 PolarHBondContact O-N 2.78Å; T243-L392 HydrophobicContact CG2-CD2 4.21Å | ||
| 244 | C | 98.3 | Very high | 98.5 | Very high | 19 Ų | 19 | 13.1 Ų | 13.1 | 13% | 0.128 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -26.8 | -174.9 | -48.9 | 0 | 0 | 0 | 0 | 113.2 | S215 L362 | S215-C244 PolarHBondContact OG-O 3.17Å; C244-L362 HydrophobicContact CB-CD2 3.64Å |
| 245 | I | 98.6 | Very high | 98.5 | Very high | 13 Ų | 13 | 13.3 Ų | 13.3 | 7% | 0.067 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 7.8 | 177.1 | 55.6 | 167.2 | 0 | 0 | 0 | 113.1 | T243 L362 A363 Y365 L392 F395 F402 | T243-I245 HydrophobicContact CG2-CG1 3.79Å; T243-I245 PolarHBondContact O-N 3.04Å; T243-I245 VanDerWaalsContact O-N 3.1Å; I245-L362 HydrophobicContact CG2-CB 4.34Å; I245-L362 HydrophobicContact CG2-CD2 3.47Å; I245-L362 VanDerWaalsContact CG2-CD2 3.47Å; I245-L362 HydrophobicContact CG2-CG 3.67Å; I245-A363 HydrophobicContact CB-CB 4.07Å; I245-A363 HydrophobicContact CG2-CB 3.95Å; I245-Y365 VanDerWaalsContact O-CE2 3.31Å; I245-Y365 WeakPolarHBondContact O-CE2 3.43Å; I245-Y365 VanDerWaalsContact O-CZ 3.31Å; I245-Y365 PolarHBondContact O-OH 2.97Å; I245-L392 HydrophobicContact CB-CD2 4.27Å; I245-L392 HydrophobicContact CD1-CB 4.38Å; I245-L392 HydrophobicContact CD1-CD2 3.82Å; I245-L392 HydrophobicContact CG1-CD2 3.6Å; I245-L392 WeakPolarHBondContact O-CD2 3.41Å; I245-F395 HydrophobicContact CD1-CB 3.99Å; I245-F395 HydrophobicContact CD1-CD2 4.45Å; I245-F395 HydrophobicContact CD1-CG 4.44Å; I245-F402 HydrophobicContact CD1-CE2 4.42Å; I245-F402 HydrophobicContact CG2-CE2 3.93Å; I245-F402 HydrophobicContact CG2-CZ 4.15Å |
| 246 | A | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 14.1 Ų | 14.1 | 5% | 0.05 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -59.7 | 143.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110 | S215 T243 D248 | S215-A246 WeakPolarHBondContact CB-O 3.36Å; T243-A246 WeakPolarHBondContact O-CB 3.17Å; T243-A246 PolarHBondContact O-N 2.78Å; A246-D248 PolarHBondContact O-N 3.12Å |
| 247 | P | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -58.4 | 111.7 | 168.3 | 25.9 | -32.4 | 0 | 0 | 0 | 107.9 | C217 I232 K236 Y365 | C217-P247 HydrophobicContact CB-CB 4Å; I232-P247 HydrophobicContact CG2-CB 4.31Å; I232-P247 HydrophobicContact CG2-CG 4.02Å; K236-P247 HydrophobicContact CB-CG 4.04Å; K236-P247 WeakPolarHBondContact CD-O 3.47Å; K236-P247 PolarHBondContact NZ-O 2.63Å; P247-Y365 HydrophobicContact CB-CD2 4.1Å; P247-Y365 HydrophobicContact CB-CE2 4.31Å | ||
| 248 | D | 98.9 | Very high | 98.5 | Very high | 7 Ų | 7 | 18.2 Ų | 18.2 | 4% | 0.037 | 11% | 0.11 | C | C | . | . | trans | -78.2 | -42.7 | -172.4 | -173.7 | -91.4 | 0 | 0 | 0 | 109.8 | K214 S215 K236 A246 I335 P341 | K214-D248 HydrophobicContact CB-CB 4.12Å; K214-D248 WeakPolarHBondContact CE-OD1 3.26Å; K214-D248 IonicContact NZ-OD1 2.86Å; K214-D248 PolarHBondContact NZ-OD1 3.4Å; S215-D248 PolarHBondContact O-N 3.34Å; K236-D248 PolarHBondContact NZ-O 3.46Å; A246-D248 PolarHBondContact O-N 3.12Å; D248-I335 VanDerWaalsContact O-CD1 3.3Å; D248-I335 WeakPolarHBondContact O-CD1 3.49Å; D248-I335 WeakPolarHBondContact OD2-CB 3.17Å; D248-I335 WeakPolarHBondContact OD2-CG1 3.34Å; D248-I335 PolarHBondContact OD2-N 2.71Å; D248-P341 WeakPolarHBondContact O-CD 3.48Å | ||
| 249 | Y | 98.9 | Very high | 98.5 | Very high | 13 Ų | 13 | 24.2 Ų | 24.2 | 5% | 0.051 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 159 | 177.6 | 63.8 | -83.9 | 0 | 0 | 0 | 112.1 | K214 P216 C217 L251 M331 P341 L343 F354 | K214-Y249 HydrophobicContact CB-CD1 4.09Å; K214-Y249 HydrophobicContact CB-CE1 3.74Å; P216-Y249 HydrophobicContact CB-CE1 4.13Å; P216-Y249 HydrophobicContact CB-CE2 4Å; P216-Y249 WeakPolarHBondContact CB-OH 3.4Å; C217-Y249 WeakPolarHBondContact CB-O 3.5Å; C217-Y249 PolarHBondContact N-O 3.03Å; Y249-L251 HydrophobicContact CD2-CD2 4.21Å; Y249-L251 HydrophobicContact CD2-CG 4.01Å; Y249-L251 HydrophobicContact CE2-CD1 3.86Å; Y249-L251 HydrophobicContact CE2-CD2 3.89Å; Y249-L251 HydrophobicContact CE2-CG 3.66Å; Y249-M331 HydrophobicContact CD1-CE 3.81Å; Y249-M331 HydrophobicContact CD1-SD 4.49Å; Y249-M331 HydrophobicContact CD2-CE 3.86Å; Y249-M331 HydrophobicContact CE1-CE 4.09Å; Y249-M331 HydrophobicContact CE2-CE 4.1Å; Y249-M331 HydrophobicContact CG-CE 3.69Å; Y249-M331 HydrophobicContact CG-SD 4.19Å; Y249-P341 WeakPolarHBondContact CA-O 3.33Å; Y249-L343 HydrophobicContact CD2-CD1 4.08Å; Y249-L343 HydrophobicContact CG-CD1 4.41Å; Y249-F354 HydrophobicContact CE2-CD1 4.11Å; Y249-F354 AromaticContact CE2-CE1 3.59Å; Y249-F354 HydrophobicContact CE2-CE1 3.59Å; Y249-F354 AromaticContact CZ-CE1 3.77Å; Y249-F354 WeakPolarHBondContact OH-CE1 3.44Å |
| 250 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 138.5 | 174.4 | -67.3 | 170.3 | 0 | 0 | 0 | 110.4 | C217 I219 I232 C252 V260 L340 P341 I342 L343 | C217-I250 HydrophobicContact CB-CG1 4.4Å; C217-I250 CarbonylContact O-C 3.52Å; C217-I250 VanDerWaalsContact O-CA 3.27Å; C217-I250 WeakPolarHBondContact O-CA 3.31Å; I219-I250 HydrophobicContact CD1-CD1 4.15Å; I219-I250 HydrophobicContact CD1-CG1 4.5Å; I219-I250 HydrophobicContact CD1-CG2 3.8Å; I219-I250 HydrophobicContact CG1-CG2 4.09Å; I232-I250 HydrophobicContact CD1-CD1 4.45Å; I232-I250 HydrophobicContact CG2-CD1 4.05Å; I232-I250 HydrophobicContact CG2-CG1 4.41Å; I250-C252 HydrophobicContact CG2-CB 4.07Å; I250-V260 HydrophobicContact CD1-CG1 4Å; I250-L340 HydrophobicContact CD1-CD1 4.25Å; I250-L340 HydrophobicContact CD1-CD2 3.81Å; I250-L340 HydrophobicContact CD1-CG 4.16Å; I250-L340 HydrophobicContact CG1-CD1 4.1Å; I250-L340 HydrophobicContact CG1-CG 4.49Å; I250-P341 PolarHBondContact N-O 2.96Å; I250-I342 HydrophobicContact CB-CG1 4.21Å; I250-I342 HydrophobicContact CB-CG2 4.28Å; I250-I342 HydrophobicContact CD1-CG1 4.25Å; I250-I342 HydrophobicContact CG2-CG2 4.08Å; I250-L343 PolarHBondContact O-N 3Å |
| 251 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 122.6 | 163.7 | -64.1 | 167.5 | 0 | 0 | 0 | 108.1 | C217 Y218 I219 Y249 L343 V345 A351 F354 I355 | C217-L251 PolarHBondContact O-N 2.7Å; Y218-L251 WeakPolarHBondContact CA-O 3.29Å; Y218-L251 HydrophobicContact CD2-CB 3.99Å; Y218-L251 WeakPolarHBondContact CD2-O 3.45Å; I219-L251 PolarHBondContact N-O 3.3Å; Y249-L251 HydrophobicContact CD2-CD2 4.21Å; Y249-L251 HydrophobicContact CD2-CG 4.01Å; Y249-L251 HydrophobicContact CE2-CD1 3.86Å; Y249-L251 HydrophobicContact CE2-CD2 3.89Å; Y249-L251 HydrophobicContact CE2-CG 3.66Å; L251-L343 WeakPolarHBondContact CA-O 3.04Å; L251-L343 HydrophobicContact CD2-CB 3.85Å; L251-V345 HydrophobicContact CB-CG2 4.04Å; L251-V345 HydrophobicContact CD2-CG1 3.71Å; L251-A351 HydrophobicContact CD1-CB 4.11Å; L251-F354 HydrophobicContact CD1-CD1 4.04Å; L251-F354 HydrophobicContact CD2-CD1 3.9Å; L251-F354 HydrophobicContact CD2-CE1 4.17Å; L251-F354 HydrophobicContact CD2-CG 4.29Å; L251-I355 HydrophobicContact CD1-CD1 4.01Å; L251-I355 HydrophobicContact CD1-CG1 3.89Å |
| 252 | C | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 164.3 | 177.5 | 72.7 | 0 | 0 | 0 | 0 | 111.3 | I219 I250 I256 L343 P344 V345 | I219-C252 HydrophobicContact CB-CB 4.25Å; I250-C252 HydrophobicContact CG2-CB 4.07Å; C252-I256 HydrophobicContact CB-CD1 3.96Å; C252-I256 HydrophobicContact CB-CG1 4Å; C252-L343 PolarHBondContact N-O 3Å; C252-P344 CarbonylContact O-C 3.54Å; C252-P344 VanDerWaalsContact O-CA 3.27Å; C252-P344 WeakPolarHBondContact O-CA 3.46Å; C252-V345 PolarHBondContact O-N 3.17Å |
| 253 | D | 98.3 | Very high | 98.6 | Very high | 25 Ų | 25 | 30.2 Ų | 30.2 | 13% | 0.134 | 16% | 0.159 | C | C | . | . | trans | -68.1 | 142.2 | 174 | -170.2 | -79.9 | 0 | 0 | 0 | 112 | K221 S255 I256 Q257 V345 | K221-D253 HydrophobicContact CD-CB 4.31Å; K221-D253 WeakPolarHBondContact CE-OD1 3.47Å; K221-D253 WeakPolarHBondContact CE-OD2 3.39Å; K221-D253 HydrophobicContact CG-CB 4.11Å; K221-D253 IonicContact NZ-OD1 2.61Å; K221-D253 PolarHBondContact NZ-OD1 3.29Å; K221-D253 IonicContact NZ-OD2 3.28Å; K221-D253 PolarHBondContact NZ-OD2 3.41Å; D253-S255 PolarHBondContact O-N 2.65Å; D253-S255 VanDerWaalsContact O-N 3.09Å; D253-S255 VanDerWaalsContact OD1-CB 3.3Å; D253-S255 WeakPolarHBondContact OD1-CB 3.4Å; D253-S255 PolarHBondContact OD1-N 2.99Å; D253-S255 PolarHBondContact OD1-OG 3.25Å; D253-S255 VanDerWaalsContact OD1-OG 3.1Å; D253-I256 HydrophobicContact CB-CG1 4.34Å; D253-I256 VanDerWaalsContact O-CG1 3.27Å; D253-I256 WeakPolarHBondContact O-CG1 3.39Å; D253-I256 PolarHBondContact O-N 2.95Å; D253-Q257 PolarHBondContact O-N 3.4Å; D253-V345 VanDerWaalsContact CA-O 3.28Å; D253-V345 WeakPolarHBondContact CA-O 3.3Å | ||
| 254 | P | 97.9 | Very high | 98.6 | Very high | 73 Ų | 73 | 29.7 Ų | 29.7 | 47% | 0.474 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -48.7 | -36.4 | 175 | -23.9 | 25.9 | 0 | 0 | 0 | 113.6 | I256 Q257 P344 V345 | P254-I256 PolarHBondContact O-N 2.86Å; P254-I256 VanDerWaalsContact O-N 3.17Å; P254-Q257 PolarHBondContact O-N 2.86Å; P254-P344 HydrophobicContact CB-CB 4.34Å; P254-P344 HydrophobicContact CG-CB 3.78Å; P254-V345 WeakPolarHBondContact CD-O 3.07Å |
| 255 | S | 97.9 | Very high | 98.6 | Very high | 85 Ų | 85 | 32.3 Ų | 32.3 | 59% | 0.594 | 17% | 0.165 | S | C | * | . | G | 310 helix | trans | -68.1 | -14.4 | -176.6 | 81.9 | 0 | 0 | 0 | 0 | 114.4 | K221 D253 | K221-S255 WeakPolarHBondContact CE-OG 3.12Å; K221-S255 PolarHBondContact NZ-OG 3.27Å; D253-S255 PolarHBondContact O-N 2.65Å; D253-S255 VanDerWaalsContact O-N 3.09Å; D253-S255 VanDerWaalsContact OD1-CB 3.3Å; D253-S255 WeakPolarHBondContact OD1-CB 3.4Å; D253-S255 PolarHBondContact OD1-N 2.99Å; D253-S255 PolarHBondContact OD1-OG 3.25Å; D253-S255 VanDerWaalsContact OD1-OG 3.1Å |
| 256 | I | 98.3 | Very high | 98.6 | Very high | 18 Ų | 18 | 37.7 Ų | 37.7 | 9% | 0.092 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -114.4 | -4.6 | 179.8 | 65 | 170 | 0 | 0 | 0 | 113.4 | I219 K221 I225 C252 D253 P254 D258 R259 V260 | I219-I256 HydrophobicContact CG2-CD1 4.14Å; K221-I256 HydrophobicContact CG-CD1 4.47Å; K221-I256 HydrophobicContact CG-CG2 4.13Å; I225-I256 HydrophobicContact CD1-CB 3.99Å; I225-I256 HydrophobicContact CD1-CD1 4.26Å; I225-I256 HydrophobicContact CD1-CG2 4.04Å; C252-I256 HydrophobicContact CB-CD1 3.96Å; C252-I256 HydrophobicContact CB-CG1 4Å; D253-I256 HydrophobicContact CB-CG1 4.34Å; D253-I256 VanDerWaalsContact O-CG1 3.27Å; D253-I256 WeakPolarHBondContact O-CG1 3.39Å; D253-I256 PolarHBondContact O-N 2.95Å; P254-I256 PolarHBondContact O-N 2.86Å; P254-I256 VanDerWaalsContact O-N 3.17Å; I256-D258 PolarHBondContact O-N 3.29Å; I256-R259 PolarHBondContact O-N 3.31Å; I256-R259 VanDerWaalsContact O-N 3.15Å; I256-V260 HydrophobicContact CG1-CG2 4.5Å; I256-V260 WeakPolarHBondContact O-CG2 3.45Å; I256-V260 PolarHBondContact O-N 2.82Å |
| 257 | Q | 98.6 | Very high | 98.6 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.5 | -46 | -174.1 | -168.9 | -163.2 | 53.3 | 0 | 0 | 112.7 | D253 P254 R259 V260 I261 D323 I342 | D253-Q257 PolarHBondContact O-N 3.4Å; P254-Q257 PolarHBondContact O-N 2.86Å; Q257-R259 VanDerWaalsContact C-N 3.31Å; Q257-R259 PolarHBondContact O-N 3.45Å; Q257-V260 PolarHBondContact O-N 3.48Å; Q257-I261 HydrophobicContact CG-CD1 4.13Å; Q257-I261 WeakPolarHBondContact O-CG1 3.37Å; Q257-I261 PolarHBondContact O-N 3.09Å; Q257-D323 PolarHBondContact NE2-OD1 3.33Å; Q257-D323 PolarHBondContact OE1-OD1 3.45Å; Q257-I342 HydrophobicContact CG-CG2 3.79Å |
| 258 | D | 98.6 | Very high | 98.6 | Very high | 84 Ų | 84 | 38.5 Ų | 38.5 | 45% | 0.449 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -57.8 | -44.2 | 177.1 | -81.3 | -52.1 | 0 | 0 | 0 | 112.1 | I256 I261 E262 R322 | I256-D258 PolarHBondContact O-N 3.29Å; D258-I261 PolarHBondContact O-N 3.41Å; D258-E262 WeakPolarHBondContact O-CG 3.41Å; D258-E262 PolarHBondContact O-N 2.83Å; D258-R322 IonicContact OD1-CZ 3.86Å; D258-R322 IonicContact OD1-NH1 3.99Å; D258-R322 PolarHBondContact OD1-NH1 3.32Å; D258-R322 IonicContact OD1-NH2 2.9Å; D258-R322 PolarHBondContact OD1-NH2 2.91Å; D258-R322 IonicContact OD2-CZ 2.99Å; D258-R322 IonicContact OD2-NH1 2.82Å; D258-R322 IonicContact OD2-NH2 3.03Å; D258-R322 PolarHBondContact OD2-NH2 3.34Å |
| 259 | R | 98.5 | Very high | 98.6 | Very high | 136 Ų | 136 | 43.2 Ų | 43.2 | 51% | 0.513 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.4 | -39.7 | 178.6 | -173.8 | 176.5 | 172.5 | -167.4 | -2.3 | 111.7 | I225 I256 Q257 E262 E263 | I225-R259 HydrophobicContact CD1-CG 4.47Å; I225-R259 HydrophobicContact CG2-CG 4.06Å; I256-R259 PolarHBondContact O-N 3.31Å; I256-R259 VanDerWaalsContact O-N 3.15Å; Q257-R259 VanDerWaalsContact C-N 3.31Å; Q257-R259 PolarHBondContact O-N 3.45Å; R259-E262 PolarHBondContact O-N 3.43Å; R259-E263 WeakPolarHBondContact O-CG 3.24Å; R259-E263 PolarHBondContact O-N 3.07Å |
| 260 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.4 | -47.2 | 174.7 | 169.9 | 0 | 0 | 0 | 0 | 110.3 | I219 I225 I250 I256 Q257 E262 E263 V264 I342 | I219-V260 HydrophobicContact CD1-CG1 4.05Å; I219-V260 HydrophobicContact CD1-CG2 4.01Å; I225-V260 HydrophobicContact CG2-CG2 3.95Å; I250-V260 HydrophobicContact CD1-CG1 4Å; I256-V260 HydrophobicContact CG1-CG2 4.5Å; I256-V260 WeakPolarHBondContact O-CG2 3.45Å; I256-V260 PolarHBondContact O-N 2.82Å; Q257-V260 PolarHBondContact O-N 3.48Å; V260-E262 PolarHBondContact O-N 3.3Å; V260-E263 PolarHBondContact O-N 3.41Å; V260-V264 HydrophobicContact CG1-CG2 4.37Å; V260-V264 WeakPolarHBondContact O-CB 3.5Å; V260-V264 VanDerWaalsContact O-CG2 3.27Å; V260-V264 WeakPolarHBondContact O-CG2 3.47Å; V260-V264 PolarHBondContact O-N 2.88Å; V260-I342 HydrophobicContact CG1-CD1 3.93Å |
| 261 | I | 98.9 | Very high | 98.5 | Very high | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.2 | -48.4 | 178.3 | -71.4 | 167.1 | 0 | 0 | 0 | 111 | Q257 D258 V264 K265 A304 V320 R322 I342 | Q257-I261 HydrophobicContact CG-CD1 4.13Å; Q257-I261 WeakPolarHBondContact O-CG1 3.37Å; Q257-I261 PolarHBondContact O-N 3.09Å; D258-I261 PolarHBondContact O-N 3.41Å; I261-V264 PolarHBondContact O-N 2.92Å; I261-K265 HydrophobicContact CG2-CD 3.79Å; I261-K265 HydrophobicContact CG2-CG 4.48Å; I261-K265 WeakPolarHBondContact O-CB 3.43Å; I261-K265 VanDerWaalsContact O-CG 3.3Å; I261-K265 WeakPolarHBondContact O-CG 3.16Å; I261-K265 PolarHBondContact O-N 2.87Å; I261-A304 HydrophobicContact CD1-CB 4.11Å; I261-A304 HydrophobicContact CG1-CB 4.49Å; I261-A304 HydrophobicContact CG2-CB 3.86Å; I261-V320 HydrophobicContact CG1-CG1 4.2Å; I261-R322 HydrophobicContact CD1-CB 3.89Å; I261-R322 HydrophobicContact CD1-CG 3.76Å; I261-I342 HydrophobicContact CD1-CD1 4.33Å; I261-I342 HydrophobicContact CG1-CD1 3.5Å |
| 262 | E | 98.8 | Very high | 98.4 | Very high | 101 Ų | 101 | 50.7 Ų | 50.7 | 47% | 0.472 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.6 | -40.2 | -178.7 | -69.5 | -53.2 | 126.7 | 0 | 0 | 112.8 | D258 R259 V260 K265 K266 | D258-E262 WeakPolarHBondContact O-CG 3.41Å; D258-E262 PolarHBondContact O-N 2.83Å; R259-E262 PolarHBondContact O-N 3.43Å; V260-E262 PolarHBondContact O-N 3.3Å; E262-K265 PolarHBondContact O-N 3.3Å; E262-K265 IonicContact OE1-NZ 2.76Å; E262-K265 PolarHBondContact OE1-NZ 3.17Å; E262-K265 IonicContact OE2-NZ 2.65Å; E262-K265 PolarHBondContact OE2-NZ 3.05Å; E262-K266 WeakPolarHBondContact O-CB 3.44Å; E262-K266 PolarHBondContact O-N 3.37Å |
| 263 | E | 98.8 | Very high | 98.3 | Very high | 35 Ų | 35 | 54.3 Ų | 54.3 | 16% | 0.164 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.6 | -33.3 | 177.1 | -68.6 | -64.9 | 155.6 | 0 | 0 | 112.7 | I225 S226 C229 R259 V260 K266 S267 | I225-E263 HydrophobicContact CG2-CG 4.36Å; S226-E263 WeakPolarHBondContact CB-OE2 3.21Å; S226-E263 PolarHBondContact OG-OE2 3.22Å; C229-E263 HydrophobicContact CB-CB 3.56Å; R259-E263 WeakPolarHBondContact O-CG 3.24Å; R259-E263 PolarHBondContact O-N 3.07Å; V260-E263 PolarHBondContact O-N 3.41Å; E263-K266 IonicContact OE2-NZ 3.27Å; E263-S267 WeakPolarHBondContact O-CB 3.29Å; E263-S267 PolarHBondContact O-N 2.99Å; E263-S267 PolarHBondContact O-OG 3.47Å |
| 264 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.8 | -47.1 | 171 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | C229 Y237 V260 I261 K266 S267 I268 V320 L340 | C229-V264 HydrophobicContact CB-CG2 3.85Å; Y237-V264 HydrophobicContact CE2-CG1 4.35Å; V260-V264 HydrophobicContact CG1-CG2 4.37Å; V260-V264 WeakPolarHBondContact O-CB 3.5Å; V260-V264 VanDerWaalsContact O-CG2 3.27Å; V260-V264 WeakPolarHBondContact O-CG2 3.47Å; V260-V264 PolarHBondContact O-N 2.88Å; I261-V264 PolarHBondContact O-N 2.92Å; V264-K266 VanDerWaalsContact C-N 3.33Å; V264-K266 PolarHBondContact O-N 3.04Å; V264-S267 PolarHBondContact O-N 3.15Å; V264-S267 VanDerWaalsContact O-N 3.12Å; V264-I268 HydrophobicContact CG1-CD1 3.8Å; V264-I268 HydrophobicContact CG1-CG1 4.31Å; V264-I268 WeakPolarHBondContact O-CG1 3.47Å; V264-I268 PolarHBondContact O-N 2.72Å; V264-V320 HydrophobicContact CG1-CG2 3.59Å; V264-L340 HydrophobicContact CG1-CD2 4.29Å; V264-L340 HydrophobicContact CG2-CD2 4.48Å |
| 265 | K | 98.6 | Very high | 97.9 | Very high | 74 Ų | 74 | 60 Ų | 60 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.4 | -46.3 | 175.8 | -77 | 166.5 | 63.3 | -170 | 0 | 112.1 | I261 E262 S267 I268 K269 A305 | I261-K265 HydrophobicContact CG2-CD 3.79Å; I261-K265 HydrophobicContact CG2-CG 4.48Å; I261-K265 WeakPolarHBondContact O-CB 3.43Å; I261-K265 VanDerWaalsContact O-CG 3.3Å; I261-K265 WeakPolarHBondContact O-CG 3.16Å; I261-K265 PolarHBondContact O-N 2.87Å; E262-K265 PolarHBondContact O-N 3.3Å; E262-K265 IonicContact OE1-NZ 2.76Å; E262-K265 PolarHBondContact OE1-NZ 3.17Å; E262-K265 IonicContact OE2-NZ 2.65Å; E262-K265 PolarHBondContact OE2-NZ 3.05Å; K265-S267 VanDerWaalsContact C-N 3.32Å; K265-S267 PolarHBondContact O-N 3.35Å; K265-I268 PolarHBondContact O-N 3Å; K265-K269 PolarHBondContact O-N 2.76Å; K265-K269 VanDerWaalsContact O-N 3.08Å; K265-A305 HydrophobicContact CD-CB 4.04Å; K265-A305 HydrophobicContact CG-CB 3.57Å |
| 266 | K | 98.7 | Very high | 97.8 | Very high | 127 Ų | 127 | 56.8 Ų | 56.8 | 55% | 0.552 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -58.6 | -44.6 | 175.9 | 179.1 | -177.4 | 172.5 | -168.1 | 0 | 111.5 | E262 E263 V264 K269 D270 | E262-K266 WeakPolarHBondContact O-CB 3.44Å; E262-K266 PolarHBondContact O-N 3.37Å; E263-K266 IonicContact OE2-NZ 3.27Å; V264-K266 VanDerWaalsContact C-N 3.33Å; V264-K266 PolarHBondContact O-N 3.04Å; K266-K269 PolarHBondContact O-N 3.14Å; K266-D270 PolarHBondContact O-N 3.15Å |
| 267 | S | 98.7 | Very high | 97.7 | Very high | 5 Ų | 5 | 59.3 Ų | 59.3 | 4% | 0.035 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.6 | -38.4 | 179.5 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | R230 E263 V264 K265 K269 D270 F271 | R230-S267 WeakPolarHBondContact CA-OG 3.08Å; E263-S267 WeakPolarHBondContact O-CB 3.29Å; E263-S267 PolarHBondContact O-N 2.99Å; E263-S267 PolarHBondContact O-OG 3.47Å; V264-S267 PolarHBondContact O-N 3.15Å; V264-S267 VanDerWaalsContact O-N 3.12Å; K265-S267 VanDerWaalsContact C-N 3.32Å; K265-S267 PolarHBondContact O-N 3.35Å; S267-K269 VanDerWaalsContact C-N 3.33Å; S267-K269 PolarHBondContact O-N 3.24Å; S267-D270 PolarHBondContact O-N 3.05Å; S267-F271 WeakPolarHBondContact O-CD2 3.4Å; S267-F271 VanDerWaalsContact O-CG 3.26Å; S267-F271 WeakPolarHBondContact O-CG 3.28Å; S267-F271 PolarHBondContact O-N 3.48Å |
| 268 | I | 98.6 | Very high | 97.6 | Very high | 17 Ų | 17 | 64 Ų | 64 | 9% | 0.087 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.3 | -48.9 | 173.8 | -72.1 | 164.8 | 0 | 0 | 0 | 110 | T233 Y237 V264 K265 D270 F271 Y272 P318 V320 | T233-I268 HydrophobicContact CG2-CG1 3.77Å; Y237-I268 HydrophobicContact CD2-CG1 4.1Å; Y237-I268 HydrophobicContact CE2-CD1 3.76Å; Y237-I268 HydrophobicContact CE2-CG1 3.71Å; V264-I268 HydrophobicContact CG1-CD1 3.8Å; V264-I268 HydrophobicContact CG1-CG1 4.31Å; V264-I268 WeakPolarHBondContact O-CG1 3.47Å; V264-I268 PolarHBondContact O-N 2.72Å; K265-I268 PolarHBondContact O-N 3Å; I268-D270 PolarHBondContact O-N 2.7Å; I268-F271 PolarHBondContact O-N 3.2Å; I268-Y272 HydrophobicContact CG2-CD2 4.41Å; I268-Y272 PolarHBondContact O-N 2.96Å; I268-P318 HydrophobicContact CD1-CB 3.84Å; I268-P318 HydrophobicContact CG1-CB 3.99Å; I268-P318 HydrophobicContact CG2-CB 3.77Å; I268-P318 HydrophobicContact CG2-CG 3.96Å; I268-V320 HydrophobicContact CD1-CG2 4.12Å |
| 269 | K | 98.1 | Very high | 97.4 | Very high | 107 Ų | 107 | 60.6 Ų | 60.6 | 47% | 0.465 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 179.3 | 178.4 | 176.2 | 172.9 | 164.6 | 0 | 112.5 | K265 K266 S267 T273 E274 | K265-K269 PolarHBondContact O-N 2.76Å; K265-K269 VanDerWaalsContact O-N 3.08Å; K266-K269 PolarHBondContact O-N 3.14Å; S267-K269 VanDerWaalsContact C-N 3.33Å; S267-K269 PolarHBondContact O-N 3.24Å; K269-T273 WeakPolarHBondContact O-CA 3.36Å; K269-T273 PolarHBondContact O-N 3.35Å; K269-E274 WeakPolarHBondContact CE-OE1 3.26Å; K269-E274 IonicContact NZ-OE1 2.75Å; K269-E274 PolarHBondContact NZ-OE1 2.85Å; K269-E274 IonicContact NZ-OE2 3.72Å |
| 270 | D | 98.3 | Very high | 97.2 | Very high | 100 Ų | 100 | 58 Ų | 58 | 54% | 0.535 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 176.6 | -173.1 | 60.9 | 0 | 0 | 0 | 112.1 | R230 K266 S267 I268 | R230-D270 IonicContact CZ-OD2 3.26Å; R230-D270 VanDerWaalsContact CZ-OD2 3.24Å; R230-D270 IonicContact NH1-OD2 3.82Å; R230-D270 PolarHBondContact NH1-OD2 2.99Å; R230-D270 IonicContact NH2-OD2 2.67Å; R230-D270 PolarHBondContact NH2-OD2 3.49Å; K266-D270 PolarHBondContact O-N 3.15Å; S267-D270 PolarHBondContact O-N 3.05Å; I268-D270 PolarHBondContact O-N 2.7Å |
| 271 | F | 98.1 | Very high | 96.9 | Very high | 56 Ų | 56 | 62.6 Ų | 62.6 | 25% | 0.246 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -81 | -40.1 | -177.9 | -62.4 | -25.8 | 0 | 0 | 0 | 114 | R230 T233 W234 S267 I268 | R230-F271 HydrophobicContact CG-CE1 4.46Å; R230-F271 HydrophobicContact CG-CZ 3.71Å; R230-F271 VanDerWaalsContact NH1-CE1 3.33Å; T233-F271 HydrophobicContact CG2-CD2 3.79Å; T233-F271 HydrophobicContact CG2-CE2 3.88Å; W234-F271 HydrophobicContact CB-CE2 3.86Å; W234-F271 HydrophobicContact CB-CZ 4.21Å; S267-F271 WeakPolarHBondContact O-CD2 3.4Å; S267-F271 VanDerWaalsContact O-CG 3.26Å; S267-F271 WeakPolarHBondContact O-CG 3.28Å; S267-F271 PolarHBondContact O-N 3.48Å; I268-F271 PolarHBondContact O-N 3.2Å |
| 272 | Y | 97.3 | Very high | 96.9 | Very high | 13 Ų | 13 | 62.3 Ų | 62.3 | 5% | 0.051 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -120.9 | 11.2 | -166.9 | -53.2 | -61.5 | 0 | 0 | 0 | 113.7 | Y237 I268 N275 P276 Y282 P318 | Y237-Y272 WeakPolarHBondContact CB-OH 3.43Å; Y237-Y272 HydrophobicContact CG-CE2 4.35Å; Y237-Y272 PolarHBondContact O-OH 3.35Å; I268-Y272 HydrophobicContact CG2-CD2 4.41Å; I268-Y272 PolarHBondContact O-N 2.96Å; Y272-N275 CarbonylContact O-C 3.44Å; Y272-P276 WeakPolarHBondContact O-CA 3.45Å; Y272-Y282 AromaticContact CD1-CD2 3.83Å; Y272-Y282 HydrophobicContact CD1-CD2 3.83Å; Y272-Y282 HydrophobicContact CD1-CG 4.31Å; Y272-Y282 HydrophobicContact CD2-CD2 4.31Å; Y272-Y282 AromaticContact CE1-CD2 3.77Å; Y272-Y282 HydrophobicContact CE1-CD2 3.77Å; Y272-Y282 HydrophobicContact CE2-CD2 4.26Å; Y272-Y282 HydrophobicContact CE2-CE2 4.49Å; Y272-Y282 HydrophobicContact CG-CD2 4.1Å; Y272-Y282 AromaticContact CZ-CD2 3.98Å; Y272-P318 HydrophobicContact CD2-CG 4.19Å |
| 273 | T | 95.1 | Very high | 96.8 | Very high | 76 Ų | 76 | 57.9 Ų | 57.9 | 47% | 0.466 | 30% | 0.297 | S | S | . | . | trans | 63.4 | -172.9 | -176.1 | 80.3 | 0 | 0 | 0 | 0 | 112.7 | K269 N275 | K269-T273 WeakPolarHBondContact O-CA 3.36Å; K269-T273 PolarHBondContact O-N 3.35Å; T273-N275 PolarHBondContact O-N 2.8Å; T273-N275 PolarHBondContact OG1-N 2.62Å; T273-N275 VanDerWaalsContact OG1-N 3.16Å; T273-N275 PolarHBondContact OG1-O 3.44Å | ||
| 274 | E | 92.9 | Very high | 96.8 | Very high | 141 Ų | 141 | 57.5 Ų | 57.5 | 66% | 0.659 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -67.2 | -21.4 | 171.7 | -59.8 | -74.5 | -160.8 | 0 | 0 | 112.7 | K269 | K269-E274 WeakPolarHBondContact CE-OE1 3.26Å; K269-E274 IonicContact NZ-OE1 2.75Å; K269-E274 PolarHBondContact NZ-OE1 2.85Å; K269-E274 IonicContact NZ-OE2 3.72Å |
| 275 | N | 94.9 | Very high | 96.8 | Very high | 78 Ų | 78 | 57.8 Ų | 57.8 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | trans | -126.6 | 87.2 | -179.4 | -172.1 | -2.4 | 0 | 0 | 0 | 111.3 | Y272 T273 K277 T278 | Y272-N275 CarbonylContact O-C 3.44Å; T273-N275 PolarHBondContact O-N 2.8Å; T273-N275 PolarHBondContact OG1-N 2.62Å; T273-N275 VanDerWaalsContact OG1-N 3.16Å; T273-N275 PolarHBondContact OG1-O 3.44Å; N275-K277 PolarHBondContact O-N 2.84Å; N275-K277 VanDerWaalsContact O-N 3.11Å; N275-K277 VanDerWaalsContact OD1-CB 3.29Å; N275-K277 WeakPolarHBondContact OD1-CB 3.27Å; N275-K277 PolarHBondContact OD1-N 2.85Å; N275-T278 PolarHBondContact O-N 2.8Å; N275-T278 PolarHBondContact O-OG1 3.23Å | ||
| 276 | P | 96.4 | Very high | 96.8 | Very high | 16 Ų | 16 | 55.2 Ų | 55.2 | 10% | 0.104 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -57.6 | -25.7 | 178.4 | -27.7 | 36.5 | 0 | 0 | 0 | 114.1 | Y272 T278 C279 Y282 F315 P318 | Y272-P276 WeakPolarHBondContact O-CA 3.45Å; P276-T278 VanDerWaalsContact C-N 3.27Å; P276-T278 PolarHBondContact O-N 3.11Å; P276-C279 WeakPolarHBondContact O-CB 3.48Å; P276-C279 PolarHBondContact O-N 2.79Å; P276-Y282 HydrophobicContact CB-CD1 4.3Å; P276-Y282 HydrophobicContact CB-CG 4.43Å; P276-Y282 WeakPolarHBondContact O-CB 3.3Å; P276-F315 HydrophobicContact CB-CE2 4.36Å; P276-F315 HydrophobicContact CB-CZ 4.46Å; P276-P318 HydrophobicContact CB-CG 4.07Å; P276-P318 HydrophobicContact CG-CG 4.07Å |
| 277 | K | 96.6 | Very high | 96.7 | Very high | 72 Ų | 72 | 51.5 Ų | 51.5 | 31% | 0.313 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -62.2 | -36.1 | -179.9 | -168 | 176.9 | -177.8 | -178.7 | 0 | 112.2 | N275 R284 D310 F315 | N275-K277 PolarHBondContact O-N 2.84Å; N275-K277 VanDerWaalsContact O-N 3.11Å; N275-K277 VanDerWaalsContact OD1-CB 3.29Å; N275-K277 WeakPolarHBondContact OD1-CB 3.27Å; N275-K277 PolarHBondContact OD1-N 2.85Å; K277-R284 PolarHBondContact O-NH2 2.9Å; K277-D310 WeakPolarHBondContact CE-OD2 3.39Å; K277-D310 IonicContact NZ-OD2 2.95Å; K277-D310 PolarHBondContact NZ-OD2 2.95Å; K277-F315 HydrophobicContact CB-CD1 4.3Å; K277-F315 HydrophobicContact CB-CD2 4.06Å; K277-F315 HydrophobicContact CB-CE1 3.97Å; K277-F315 HydrophobicContact CB-CE2 3.71Å; K277-F315 HydrophobicContact CB-CG 4.34Å; K277-F315 HydrophobicContact CB-CZ 3.66Å; K277-F315 HydrophobicContact CD-CD1 4.07Å; K277-F315 HydrophobicContact CD-CE1 4.3Å; K277-F315 HydrophobicContact CD-CG 4.35Å; K277-F315 HydrophobicContact CG-CD1 4.02Å; K277-F315 HydrophobicContact CG-CD2 3.97Å; K277-F315 HydrophobicContact CG-CE1 4.2Å; K277-F315 HydrophobicContact CG-CE2 4.15Å; K277-F315 HydrophobicContact CG-CG 3.9Å; K277-F315 HydrophobicContact CG-CZ 4.26Å |
| 278 | T | 95.4 | Very high | 96.7 | Very high | 102 Ų | 102 | 56.4 Ų | 56.4 | 63% | 0.626 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -92.6 | -4.5 | -179.7 | 51.8 | 0 | 0 | 0 | 0 | 113.5 | N275 P276 | N275-T278 PolarHBondContact O-N 2.8Å; N275-T278 PolarHBondContact O-OG1 3.23Å; P276-T278 VanDerWaalsContact C-N 3.27Å; P276-T278 PolarHBondContact O-N 3.11Å |
| 279 | C | 96 | Very high | 96.7 | Very high | 11 Ų | 11 | 65.3 Ų | 65.3 | 7% | 0.074 | 33% | 0.326 | C | S | . | . | trans | -70.8 | 127 | 178.8 | -178.5 | 0 | 0 | 0 | 0 | 110.4 | P276 D281 Y282 | P276-C279 WeakPolarHBondContact O-CB 3.48Å; P276-C279 PolarHBondContact O-N 2.79Å; C279-D281 PolarHBondContact O-N 3.35Å; C279-Y282 PolarHBondContact O-N 2.82Å | ||
| 280 | P | 93.1 | Very high | 96.7 | Very high | 82 Ų | 82 | 62 Ų | 62 | 53% | 0.532 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -24.8 | -178.6 | 26.5 | -34.9 | 0 | 0 | 0 | 113.7 | ||
| 281 | D | 93.8 | Very high | 96.7 | Very high | 96 Ų | 96 | 57.9 Ų | 57.9 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 5.3 | -178.2 | -63 | -48.9 | 0 | 0 | 0 | 113.3 | S55 C279 | S55-D281 WeakPolarHBondContact CB-OD1 3.39Å; S55-D281 PolarHBondContact OG-OD1 3.14Å; C279-D281 PolarHBondContact O-N 3.35Å |
| 282 | Y | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -99.6 | 118.7 | 171.7 | -162.4 | -109.7 | 0 | 0 | 0 | 110.8 | N53 Y272 P276 C279 R284 F315 I316 P318 P338 | N53-Y282 PolarHBondContact ND2-O 3.35Å; Y272-Y282 AromaticContact CD1-CD2 3.83Å; Y272-Y282 HydrophobicContact CD1-CD2 3.83Å; Y272-Y282 HydrophobicContact CD1-CG 4.31Å; Y272-Y282 HydrophobicContact CD2-CD2 4.31Å; Y272-Y282 AromaticContact CE1-CD2 3.77Å; Y272-Y282 HydrophobicContact CE1-CD2 3.77Å; Y272-Y282 HydrophobicContact CE2-CD2 4.26Å; Y272-Y282 HydrophobicContact CE2-CE2 4.49Å; Y272-Y282 HydrophobicContact CG-CD2 4.1Å; Y272-Y282 AromaticContact CZ-CD2 3.98Å; P276-Y282 HydrophobicContact CB-CD1 4.3Å; P276-Y282 HydrophobicContact CB-CG 4.43Å; P276-Y282 WeakPolarHBondContact O-CB 3.3Å; C279-Y282 PolarHBondContact O-N 2.82Å; Y282-R284 PolarHBondContact O-NH1 3.44Å; Y282-R284 VanDerWaalsContact O-NH1 3.14Å; Y282-F315 HydrophobicContact CD1-CD2 4.06Å; Y282-F315 AromaticContact CD1-CE2 3.71Å; Y282-F315 HydrophobicContact CD1-CE2 3.71Å; Y282-F315 AromaticContact CE1-CD2 3.9Å; Y282-F315 HydrophobicContact CE1-CD2 3.9Å; Y282-F315 AromaticContact CE1-CE2 3.52Å; Y282-F315 HydrophobicContact CE1-CE2 3.52Å; Y282-I316 VanDerWaalsContact CE1-O 3.26Å; Y282-I316 WeakPolarHBondContact CE1-O 3.19Å; Y282-I316 PolarHBondContact OH-O 2.93Å; Y282-P318 HydrophobicContact CD2-CG 4.42Å; Y282-P318 HydrophobicContact CE2-CG 3.65Å; Y282-P318 WeakPolarHBondContact OH-CD 3.22Å; Y282-P338 WeakPolarHBondContact OH-CB 3.45Å; Y282-P338 WeakPolarHBondContact OH-CG 3.36Å | ||
| 283 | G | 96.6 | Very high | 96.8 | Very high | 7 Ų | 7 | 62.7 Ų | 62.7 | 7% | 0.072 | 31% | 0.309 | C | S | . | . | trans | -69.4 | -167.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | L52 C240 | L52-G283 WeakPolarHBondContact O-CA 3.47Å; C240-G283 WeakPolarHBondContact SG-CA 3.44Å; C240-G283 PolarHBondContact SG-N 3.36Å; C240-G283 VanDerWaalsContact SG-N 3.41Å; C240-G283 PolarHBondContact SG-O 3.2Å | ||
| 284 | R | 98.4 | Very high | 97 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 11% | 0.106 | 29% | 0.287 | C | S | . | . | trans | -127.7 | 157.5 | 168.2 | -65 | -58 | -177.6 | -99 | 4.5 | 110.7 | L52 N53 Q242 K277 Y282 I286 D313 | L52-R284 PolarHBondContact O-N 3.43Å; L52-R284 VanDerWaalsContact O-N 3.09Å; N53-R284 HydrophobicContact CB-CB 4.06Å; N53-R284 HydrophobicContact CB-CG 3.58Å; N53-R284 PolarHBondContact ND2-NH1 3.09Å; Q242-R284 PolarHBondContact NE2-O 3.33Å; K277-R284 PolarHBondContact O-NH2 2.9Å; Y282-R284 PolarHBondContact O-NH1 3.44Å; Y282-R284 VanDerWaalsContact O-NH1 3.14Å; R284-I286 PolarHBondContact O-N 2.83Å; R284-D313 WeakPolarHBondContact CD-O 3.03Å; R284-D313 WeakPolarHBondContact CG-O 3.35Å; R284-D313 IonicContact CZ-OD2 2.76Å; R284-D313 VanDerWaalsContact CZ-OD2 3.25Å; R284-D313 IonicContact NE-OD1 2.6Å; R284-D313 PolarHBondContact NE-OD1 3.48Å; R284-D313 IonicContact NE-OD2 4Å; R284-D313 PolarHBondContact NE-OD2 2.81Å; R284-D313 IonicContact NH2-OD2 3.38Å; R284-D313 PolarHBondContact NH2-OD2 3.46Å | ||
| 285 | I | 98.8 | Very high | 97.2 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | trans | -66.5 | 133 | 169.2 | -56 | -54.4 | 0 | 0 | 0 | 108.2 | C240 N287 H290 F291 I294 C314 I316 P338 | C240-I285 HydrophobicContact CB-CD1 4.23Å; I285-N287 PolarHBondContact O-N 3.3Å; I285-H290 HydrophobicContact CG2-CB 3.48Å; I285-H290 VanDerWaalsContact CG2-CB 3.48Å; I285-F291 HydrophobicContact CB-CB 4.41Å; I285-F291 HydrophobicContact CG2-CB 4.23Å; I285-I294 HydrophobicContact CD1-CD1 3.69Å; I285-I294 HydrophobicContact CG1-CD1 4.22Å; I285-I294 HydrophobicContact CG2-CD1 3.96Å; I285-C314 HydrophobicContact CB-CB 4.24Å; I285-C314 WeakPolarHBondContact CB-O 3.45Å; I285-C314 WeakPolarHBondContact CG1-O 3.44Å; I285-C314 PolarHBondContact N-O 3.04Å; I285-C314 WeakPolarHBondContact O-CB 3.29Å; I285-I316 HydrophobicContact CD1-CD1 4.26Å; I285-I316 HydrophobicContact CG1-CD1 3.76Å; I285-I316 HydrophobicContact CG1-CG1 3.94Å; I285-P338 HydrophobicContact CD1-CG 4.5Å | ||
| 286 | I | 98.5 | Very high | 97.3 | Very high | 20 Ų | 20 | 54.1 Ų | 54.1 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -52.7 | -31.8 | -169.6 | -176 | 56 | 0 | 0 | 0 | 114.8 | D51 L52 W114 V142 R284 H290 | D51-I286 HydrophobicContact CB-CD1 4.44Å; D51-I286 VanDerWaalsContact O-CD1 3.28Å; D51-I286 WeakPolarHBondContact O-CD1 3.48Å; L52-I286 HydrophobicContact CD2-CB 4.24Å; L52-I286 HydrophobicContact CD2-CD1 3.79Å; L52-I286 HydrophobicContact CD2-CG1 4.46Å; L52-I286 HydrophobicContact CG-CD1 4.37Å; W114-I286 HydrophobicContact CD2-CB 4.48Å; W114-I286 HydrophobicContact CD2-CG1 4.17Å; W114-I286 HydrophobicContact CD2-CG2 4.32Å; W114-I286 HydrophobicContact CE3-CB 3.75Å; W114-I286 HydrophobicContact CE3-CD1 4.3Å; W114-I286 HydrophobicContact CE3-CG1 3.71Å; W114-I286 HydrophobicContact CE3-CG2 3.92Å; W114-I286 HydrophobicContact CH2-CB 4.08Å; W114-I286 HydrophobicContact CH2-CG2 3.48Å; W114-I286 VanDerWaalsContact CH2-CG2 3.48Å; W114-I286 HydrophobicContact CZ2-CG2 3.95Å; W114-I286 HydrophobicContact CZ3-CB 3.54Å; W114-I286 HydrophobicContact CZ3-CG1 4.06Å; W114-I286 HydrophobicContact CZ3-CG2 3.5Å; V142-I286 HydrophobicContact CG1-CD1 4.13Å; V142-I286 HydrophobicContact CG1-CG1 3.38Å; R284-I286 PolarHBondContact O-N 2.83Å; I286-H290 HydrophobicContact CG2-CB 4.01Å |
| 287 | N | 98.2 | Very high | 97.4 | Very high | 49 Ų | 49 | 53.9 Ų | 53.9 | 26% | 0.262 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -163.2 | 171.5 | 175.9 | 59.3 | 48.2 | 0 | 0 | 0 | 112.4 | I285 R289 H290 F291 | I285-N287 PolarHBondContact O-N 3.3Å; N287-R289 VanDerWaalsContact C-N 3.27Å; N287-R289 PolarHBondContact O-N 3.39Å; N287-R289 WeakPolarHBondContact OD1-CB 3.33Å; N287-R289 PolarHBondContact OD1-N 3.46Å; N287-R289 VanDerWaalsContact OD1-N 3.1Å; N287-H290 PolarHBondContact O-N 2.99Å; N287-H290 PolarHBondContact OD1-CD2 2.9Å; N287-H290 PolarHBondContact OD1-N 2.8Å; N287-F291 PolarHBondContact O-N 3.22Å |
| 288 | Q | 98.1 | Very high | 97.3 | Very high | 108 Ų | 108 | 51.4 Ų | 51.4 | 51% | 0.505 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.4 | -31.6 | 179.5 | -68.4 | -179.7 | 2.8 | 0 | 0 | 113.9 | F291 K292 | Q288-F291 PolarHBondContact O-N 3.34Å; Q288-K292 WeakPolarHBondContact O-CB 3.31Å; Q288-K292 WeakPolarHBondContact O-CG 3.49Å; Q288-K292 PolarHBondContact O-N 3.44Å |
| 289 | R | 98.1 | Very high | 96.8 | Very high | 204 Ų | 204 | 48.6 Ų | 48.6 | 77% | 0.77 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -65.2 | -48.9 | 177.5 | 176.3 | -174 | 173.2 | -168.9 | -1.7 | 110.6 | N287 F291 R293 | N287-R289 VanDerWaalsContact C-N 3.27Å; N287-R289 PolarHBondContact O-N 3.39Å; N287-R289 WeakPolarHBondContact OD1-CB 3.33Å; N287-R289 PolarHBondContact OD1-N 3.46Å; N287-R289 VanDerWaalsContact OD1-N 3.1Å; R289-F291 VanDerWaalsContact C-N 3.34Å; R289-R293 PolarHBondContact O-N 3.16Å; R289-R293 VanDerWaalsContact O-N 3.13Å |
| 290 | H | 98.6 | Very high | 96.3 | Very high | 39 Ų | 39 | 56.1 Ų | 56.1 | 18% | 0.181 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.9 | -37.5 | 176.5 | -78.5 | -82.6 | 0 | 0 | 0 | 111.4 | W114 I285 I286 N287 R293 I294 | W114-H290 AromaticContact CZ2-CE1 3.89Å; W114-H290 AromaticContact CZ2-NE2 3.97Å; I285-H290 HydrophobicContact CG2-CB 3.48Å; I285-H290 VanDerWaalsContact CG2-CB 3.48Å; I286-H290 HydrophobicContact CG2-CB 4.01Å; N287-H290 PolarHBondContact O-N 2.99Å; N287-H290 PolarHBondContact OD1-CD2 2.9Å; N287-H290 PolarHBondContact OD1-N 2.8Å; H290-R293 PolarHBondContact O-N 2.93Å; H290-I294 HydrophobicContact CB-CD1 4.49Å; H290-I294 WeakPolarHBondContact O-CB 3.18Å; H290-I294 WeakPolarHBondContact O-CD1 3.4Å; H290-I294 WeakPolarHBondContact O-CG1 3.41Å; H290-I294 PolarHBondContact O-N 2.95Å |
| 291 | F | 98.7 | Very high | 96.3 | Very high | 12 Ų | 12 | 53.5 Ų | 53.5 | 5% | 0.053 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.3 | -53.9 | 175.1 | 173.4 | -88.1 | 0 | 0 | 0 | 111.4 | I285 N287 Q288 R289 R293 I294 M295 E311 F315 I316 | I285-F291 HydrophobicContact CB-CB 4.41Å; I285-F291 HydrophobicContact CG2-CB 4.23Å; N287-F291 PolarHBondContact O-N 3.22Å; Q288-F291 PolarHBondContact O-N 3.34Å; R289-F291 VanDerWaalsContact C-N 3.34Å; F291-R293 VanDerWaalsContact C-N 3.34Å; F291-R293 PolarHBondContact O-N 2.83Å; F291-I294 PolarHBondContact O-N 2.86Å; F291-M295 HydrophobicContact CD1-CG 4.31Å; F291-M295 HydrophobicContact CD2-CG 4.43Å; F291-M295 HydrophobicContact CE1-CG 3.86Å; F291-M295 HydrophobicContact CE2-CG 4Å; F291-M295 HydrophobicContact CZ-CG 3.69Å; F291-M295 HydrophobicContact CZ-SD 4.46Å; F291-M295 WeakPolarHBondContact O-CG 3.48Å; F291-M295 PolarHBondContact O-N 2.86Å; F291-E311 HydrophobicContact CD1-CB 4.02Å; F291-E311 HydrophobicContact CD1-CG 3.85Å; F291-E311 HydrophobicContact CE1-CB 3.48Å; F291-E311 VanDerWaalsContact CE1-CB 3.48Å; F291-E311 HydrophobicContact CE1-CG 3.8Å; F291-E311 HydrophobicContact CZ-CB 3.87Å; F291-F315 WeakPolarHBondContact CE2-O 3.49Å; F291-I316 HydrophobicContact CD2-CD1 3.88Å; F291-I316 HydrophobicContact CD2-CG1 3.61Å; F291-I316 HydrophobicContact CE2-CD1 4.2Å; F291-I316 HydrophobicContact CE2-CG1 3.59Å |
| 292 | K | 98.5 | Very high | 96.5 | Very high | 109 Ų | 109 | 53.2 Ų | 53.2 | 47% | 0.474 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.4 | -43.1 | -179.8 | -74.2 | 176.1 | -179.2 | 168.8 | 0 | 112.3 | Q288 A296 E311 | Q288-K292 WeakPolarHBondContact O-CB 3.31Å; Q288-K292 WeakPolarHBondContact O-CG 3.49Å; Q288-K292 PolarHBondContact O-N 3.44Å; K292-A296 VanDerWaalsContact O-CB 3.3Å; K292-A296 WeakPolarHBondContact O-CB 3.44Å; K292-A296 PolarHBondContact O-N 2.83Å; K292-E311 WeakPolarHBondContact CE-OE1 3.43Å; K292-E311 IonicContact NZ-OE1 2.73Å; K292-E311 PolarHBondContact NZ-OE1 3.46Å |
| 293 | R | 98.3 | Very high | 96.6 | Very high | 62 Ų | 62 | 56.1 Ų | 56.1 | 23% | 0.234 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.1 | -51.9 | 175.9 | -178.1 | -167.3 | 66 | 90.4 | 1.2 | 110.7 | R289 H290 F291 A296 L297 E333 E334 I335 | R289-R293 PolarHBondContact O-N 3.16Å; R289-R293 VanDerWaalsContact O-N 3.13Å; H290-R293 PolarHBondContact O-N 2.93Å; F291-R293 VanDerWaalsContact C-N 3.34Å; F291-R293 PolarHBondContact O-N 2.83Å; R293-A296 WeakPolarHBondContact O-CB 3.07Å; R293-A296 PolarHBondContact O-N 3.01Å; R293-L297 WeakPolarHBondContact O-CG 3.48Å; R293-L297 PolarHBondContact O-N 2.84Å; R293-E333 VanDerWaalsContact CD-OE1 3.3Å; R293-E333 WeakPolarHBondContact CD-OE1 3.24Å; R293-E333 WeakPolarHBondContact CG-OE1 3.41Å; R293-E333 IonicContact CZ-OE1 2.68Å; R293-E333 IonicContact NE-OE1 2.66Å; R293-E333 IonicContact NH1-OE1 3.91Å; R293-E333 PolarHBondContact NH1-OE1 2.86Å; R293-E334 PolarHBondContact NH1-O 3.28Å; R293-I335 PolarHBondContact NH1-O 2.68Å; R293-I335 PolarHBondContact NH2-O 3.04Å |
| 294 | I | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.1 | -46.2 | -175.8 | -65.8 | 161.6 | 0 | 0 | 0 | 110.9 | I285 H290 F291 A296 L297 I316 F336 I339 | I285-I294 HydrophobicContact CD1-CD1 3.69Å; I285-I294 HydrophobicContact CG1-CD1 4.22Å; I285-I294 HydrophobicContact CG2-CD1 3.96Å; H290-I294 HydrophobicContact CB-CD1 4.49Å; H290-I294 WeakPolarHBondContact O-CB 3.18Å; H290-I294 WeakPolarHBondContact O-CD1 3.4Å; H290-I294 WeakPolarHBondContact O-CG1 3.41Å; H290-I294 PolarHBondContact O-N 2.95Å; F291-I294 PolarHBondContact O-N 2.86Å; I294-A296 PolarHBondContact O-N 3.03Å; I294-L297 VanDerWaalsContact O-CB 3.3Å; I294-L297 WeakPolarHBondContact O-CB 3.05Å; I294-L297 PolarHBondContact O-N 2.84Å; I294-I316 HydrophobicContact CB-CD1 3.76Å; I294-I316 HydrophobicContact CG2-CD1 3.51Å; I294-F336 WeakPolarHBondContact CD1-O 3.31Å; I294-I339 HydrophobicContact CG2-CD1 3.49Å; I294-I339 VanDerWaalsContact CG2-CD1 3.49Å; I294-I339 HydrophobicContact CG2-CG1 4Å; I294-I339 WeakPolarHBondContact O-CD1 3.43Å |
| 295 | M | 98.1 | Very high | 96.6 | Very high | 54 Ų | 54 | 56.9 Ų | 56.9 | 27% | 0.266 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.6 | -36.8 | 176.1 | -71.3 | -59.1 | -66.8 | 0 | 0 | 112.1 | F291 L297 V298 I316 | F291-M295 HydrophobicContact CD1-CG 4.31Å; F291-M295 HydrophobicContact CD2-CG 4.43Å; F291-M295 HydrophobicContact CE1-CG 3.86Å; F291-M295 HydrophobicContact CE2-CG 4Å; F291-M295 HydrophobicContact CZ-CG 3.69Å; F291-M295 HydrophobicContact CZ-SD 4.46Å; F291-M295 WeakPolarHBondContact O-CG 3.48Å; F291-M295 PolarHBondContact O-N 2.86Å; M295-L297 PolarHBondContact O-N 3.12Å; M295-V298 PolarHBondContact O-N 3.37Å; M295-I316 HydrophobicContact CG-CD1 3.84Å; M295-I316 HydrophobicContact CG-CG1 4.23Å; M295-I316 HydrophobicContact SD-CB 4.44Å; M295-I316 HydrophobicContact SD-CD1 3.82Å; M295-I316 HydrophobicContact SD-CG1 3.82Å; M295-I316 HydrophobicContact SD-CG2 3.89Å |
| 296 | A | 97.8 | Very high | 96.5 | Very high | 61 Ų | 61 | 58.5 Ų | 58.5 | 50% | 0.504 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.8 | -19.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K292 R293 I294 | K292-A296 VanDerWaalsContact O-CB 3.3Å; K292-A296 WeakPolarHBondContact O-CB 3.44Å; K292-A296 PolarHBondContact O-N 2.83Å; R293-A296 WeakPolarHBondContact O-CB 3.07Å; R293-A296 PolarHBondContact O-N 3.01Å; I294-A296 PolarHBondContact O-N 3.03Å |
| 297 | L | 97.8 | Very high | 96.4 | Very high | 11 Ų | 11 | 58.6 Ų | 58.6 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -72.4 | -28.8 | 176.6 | -64.1 | 179.6 | 0 | 0 | 0 | 112.9 | R293 I294 M295 G299 V330 E333 I335 I339 | R293-L297 WeakPolarHBondContact O-CG 3.48Å; R293-L297 PolarHBondContact O-N 2.84Å; I294-L297 VanDerWaalsContact O-CB 3.3Å; I294-L297 WeakPolarHBondContact O-CB 3.05Å; I294-L297 PolarHBondContact O-N 2.84Å; M295-L297 PolarHBondContact O-N 3.12Å; L297-G299 VanDerWaalsContact C-N 3.25Å; L297-G299 PolarHBondContact O-N 3.23Å; L297-V330 HydrophobicContact CB-CB 4.24Å; L297-V330 HydrophobicContact CB-CG2 4.15Å; L297-V330 WeakPolarHBondContact O-CB 3.44Å; L297-E333 HydrophobicContact CD1-CG 4.4Å; L297-E333 HydrophobicContact CD2-CG 3.81Å; L297-I335 HydrophobicContact CD1-CG2 4.35Å; L297-I339 HydrophobicContact CB-CD1 4.35Å |
| 298 | V | 93.6 | Very high | 96.3 | Very high | 19 Ų | 19 | 61.8 Ų | 61.8 | 12% | 0.115 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56.2 | -46.4 | 177.4 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | M295 D300 S301 V303 L321 I339 | M295-V298 PolarHBondContact O-N 3.37Å; V298-D300 PolarHBondContact O-N 2.88Å; V298-S301 WeakPolarHBondContact O-CB 3.31Å; V298-S301 PolarHBondContact O-N 3.39Å; V298-S301 PolarHBondContact O-OG 3.08Å; V298-V303 HydrophobicContact CG1-CG2 3.83Å; V298-L321 HydrophobicContact CG1-CD2 4.18Å; V298-I339 HydrophobicContact CG2-CD1 3.58Å; V298-I339 HydrophobicContact CG2-CG1 4.38Å |
| 299 | G | 84.8 | Confident | 96.2 | Very high | 43 Ų | 43 | 58.5 Ų | 58.5 | 44% | 0.443 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | -134 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L297 S301 | L297-G299 VanDerWaalsContact C-N 3.25Å; L297-G299 PolarHBondContact O-N 3.23Å; G299-S301 VanDerWaalsContact C-N 3.26Å; G299-S301 PolarHBondContact O-N 3.47Å |
| 300 | D | 86.1 | Confident | 96.2 | Very high | 170 Ų | 170 | 50.8 Ų | 50.8 | 91% | 0.909 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | 13.2 | 178.4 | -53.6 | -48.8 | 0 | 0 | 0 | 113.1 | V298 | V298-D300 PolarHBondContact O-N 2.88Š|
| 301 | S | 94.4 | Very high | 96.2 | Very high | 27 Ų | 27 | 52.7 Ų | 52.7 | 19% | 0.189 | 33% | 0.325 | C | S | . | . | trans | -68.7 | 148.8 | 179.8 | -50.2 | 0 | 0 | 0 | 0 | 111 | V298 G299 V303 | V298-S301 WeakPolarHBondContact O-CB 3.31Å; V298-S301 PolarHBondContact O-N 3.39Å; V298-S301 PolarHBondContact O-OG 3.08Å; G299-S301 VanDerWaalsContact C-N 3.26Å; G299-S301 PolarHBondContact O-N 3.47Å; S301-V303 PolarHBondContact O-N 3.43Å | ||
| 302 | T | 97.7 | Very high | 96.1 | Very high | 90 Ų | 90 | 57.1 Ų | 57.1 | 55% | 0.552 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 114.9 | 175.1 | -53.2 | 0 | 0 | 0 | 0 | 110.6 | L321 R322 | T302-L321 WeakPolarHBondContact O-CA 3.37Å; T302-R322 PolarHBondContact O-N 3.22Å |
| 303 | V | 98.4 | Very high | 96 | Very high | 60 Ų | 60 | 54.7 Ų | 54.7 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 120.9 | 176.3 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | V298 S301 A305 G306 T319 L321 | V298-V303 HydrophobicContact CG1-CG2 3.83Å; S301-V303 PolarHBondContact O-N 3.43Å; V303-A305 WeakPolarHBondContact CG1-O 3.36Å; V303-G306 WeakPolarHBondContact CG1-O 3.39Å; V303-T319 HydrophobicContact CG1-CG2 4.35Å; V303-L321 HydrophobicContact CB-CD2 4.5Å; V303-L321 HydrophobicContact CG2-CD2 3.9Å |
| 304 | A | 98.3 | Very high | 96 | Very high | 32 Ų | 32 | 52.5 Ų | 52.5 | 26% | 0.264 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -23.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I261 V320 R322 | I261-A304 HydrophobicContact CD1-CB 4.11Å; I261-A304 HydrophobicContact CG1-CB 4.49Å; I261-A304 HydrophobicContact CG2-CB 3.86Å; A304-V320 PolarHBondContact N-O 3.47Å; A304-R322 HydrophobicContact CB-CB 4.06Å |
| 305 | A | 97.7 | Very high | 96 | Very high | 19 Ų | 19 | 53.1 Ų | 53.1 | 16% | 0.157 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 149.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | K265 V303 T319 V320 | K265-A305 HydrophobicContact CD-CB 4.04Å; K265-A305 HydrophobicContact CG-CB 3.57Å; V303-A305 WeakPolarHBondContact CG1-O 3.36Å; A305-T319 VanDerWaalsContact O-CA 3.3Å; A305-T319 WeakPolarHBondContact O-CA 3.32Å; A305-V320 HydrophobicContact CB-CB 4.14Å; A305-V320 HydrophobicContact CB-CG2 4.14Å; A305-V320 PolarHBondContact N-O 2.95Å; A305-V320 PolarHBondContact O-N 3Å |
| 306 | G | 97.2 | Very high | 96.1 | Very high | 39 Ų | 39 | 50.7 Ų | 50.7 | 40% | 0.402 | 34% | 0.335 | S | S | . | . | trans | 69.4 | -134.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V303 D308 P318 | V303-G306 WeakPolarHBondContact CG1-O 3.39Å; G306-D308 VanDerWaalsContact C-N 3.34Å; G306-P318 WeakPolarHBondContact CA-O 3.43Å | ||
| 307 | G | 95.4 | Very high | 96.1 | Very high | 22 Ų | 22 | 48.1 Ų | 48.1 | 23% | 0.227 | 31% | 0.314 | C | S | . | . | trans | 92.7 | -15.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T319 | G307-T319 PolarHBondContact N-OG1 2.88Š| ||
| 308 | D | 95.9 | Very high | 96.1 | Very high | 116 Ų | 116 | 47.8 Ų | 47.8 | 62% | 0.62 | 31% | 0.312 | S | S | * | . | trans | -72.3 | 144.2 | 177.1 | -60.2 | -50.4 | 0 | 0 | 0 | 112.2 | G306 A317 | G306-D308 VanDerWaalsContact C-N 3.34Å; D308-A317 HydrophobicContact CB-CB 4.19Å; D308-A317 PolarHBondContact O-N 3.07Å | ||
| 309 | G | 97.2 | Very high | 96.4 | Very high | 40 Ų | 40 | 46.9 Ų | 46.9 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 148.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F315 | G309-F315 CarbonylContact C-O 3.55Å; G309-F315 VanDerWaalsContact CA-O 3.23Å; G309-F315 WeakPolarHBondContact CA-O 3.09Å |
| 310 | D | 98.1 | Very high | 97.1 | Very high | 41 Ų | 41 | 44.9 Ų | 44.9 | 22% | 0.219 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 107.2 | 171.1 | -179.6 | -7.1 | 0 | 0 | 0 | 109.2 | K277 S312 D313 C314 F315 | K277-D310 WeakPolarHBondContact CE-OD2 3.39Å; K277-D310 IonicContact NZ-OD2 2.95Å; K277-D310 PolarHBondContact NZ-OD2 2.95Å; D310-S312 VanDerWaalsContact C-N 3.27Å; D310-S312 PolarHBondContact O-N 2.8Å; D310-S312 WeakPolarHBondContact OD1-CB 3.32Å; D310-S312 PolarHBondContact OD1-N 3.39Å; D310-S312 PolarHBondContact OD1-OG 3.41Å; D310-S312 PolarHBondContact OD2-OG 3.03Å; D310-D313 PolarHBondContact O-N 2.93Å; D310-C314 WeakPolarHBondContact O-CA 3.35Å; D310-C314 PolarHBondContact O-N 3.36Å; D310-F315 HydrophobicContact CB-CB 4.29Å; D310-F315 HydrophobicContact CB-CD1 4.36Å; D310-F315 PolarHBondContact N-O 2.95Å; D310-F315 PolarHBondContact O-N 3.38Å |
| 311 | E | 97.5 | Very high | 97.7 | Very high | 79 Ų | 79 | 36.8 Ų | 36.8 | 37% | 0.369 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -63.7 | -32.7 | -179 | -173 | 174.6 | 159.9 | 0 | 0 | 112.3 | F291 K292 D313 C314 | F291-E311 HydrophobicContact CD1-CB 4.02Å; F291-E311 HydrophobicContact CD1-CG 3.85Å; F291-E311 HydrophobicContact CE1-CB 3.48Å; F291-E311 VanDerWaalsContact CE1-CB 3.48Å; F291-E311 HydrophobicContact CE1-CG 3.8Å; F291-E311 HydrophobicContact CZ-CB 3.87Å; K292-E311 WeakPolarHBondContact CE-OE1 3.43Å; K292-E311 IonicContact NZ-OE1 2.73Å; K292-E311 PolarHBondContact NZ-OE1 3.46Å; E311-D313 VanDerWaalsContact C-N 3.27Å; E311-D313 PolarHBondContact O-N 3.22Å; E311-C314 PolarHBondContact O-N 3.17Å |
| 312 | S | 97.3 | Very high | 97.9 | Very high | 106 Ų | 106 | 38.8 Ų | 38.8 | 74% | 0.741 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -68 | -30.3 | -176.7 | 72.7 | 0 | 0 | 0 | 0 | 112.6 | D310 | D310-S312 VanDerWaalsContact C-N 3.27Å; D310-S312 PolarHBondContact O-N 2.8Å; D310-S312 WeakPolarHBondContact OD1-CB 3.32Å; D310-S312 PolarHBondContact OD1-N 3.39Å; D310-S312 PolarHBondContact OD1-OG 3.41Å; D310-S312 PolarHBondContact OD2-OG 3.03Å |
| 313 | D | 96.4 | Very high | 97.9 | Very high | 57 Ų | 57 | 37.8 Ų | 37.8 | 31% | 0.305 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -104.5 | 0.9 | 177.6 | -169.4 | 24.8 | 0 | 0 | 0 | 111.9 | R284 D310 E311 F315 | R284-D313 WeakPolarHBondContact CD-O 3.03Å; R284-D313 WeakPolarHBondContact CG-O 3.35Å; R284-D313 IonicContact CZ-OD2 2.76Å; R284-D313 VanDerWaalsContact CZ-OD2 3.25Å; R284-D313 IonicContact NE-OD1 2.6Å; R284-D313 PolarHBondContact NE-OD1 3.48Å; R284-D313 IonicContact NE-OD2 4Å; R284-D313 PolarHBondContact NE-OD2 2.81Å; R284-D313 IonicContact NH2-OD2 3.38Å; R284-D313 PolarHBondContact NH2-OD2 3.46Å; D310-D313 PolarHBondContact O-N 2.93Å; E311-D313 VanDerWaalsContact C-N 3.27Å; E311-D313 PolarHBondContact O-N 3.22Å; D313-F315 HydrophobicContact CB-CB 4.26Å; D313-F315 PolarHBondContact O-N 3.42Å; D313-F315 VanDerWaalsContact O-N 3.09Å |
| 314 | C | 98.4 | Very high | 97.9 | Very high | 17 Ų | 17 | 35.2 Ų | 35.2 | 12% | 0.115 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 35.2 | -170.3 | -68.3 | 0 | 0 | 0 | 0 | 112.8 | I285 D310 E311 | I285-C314 HydrophobicContact CB-CB 4.24Å; I285-C314 WeakPolarHBondContact CB-O 3.45Å; I285-C314 WeakPolarHBondContact CG1-O 3.44Å; I285-C314 PolarHBondContact N-O 3.04Å; I285-C314 WeakPolarHBondContact O-CB 3.29Å; D310-C314 WeakPolarHBondContact O-CA 3.35Å; D310-C314 PolarHBondContact O-N 3.36Å; E311-C314 PolarHBondContact O-N 3.17Å |
| 315 | F | 98.6 | Very high | 97.8 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 5% | 0.053 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 129.3 | -179 | 165.1 | -97.7 | 0 | 0 | 0 | 110.1 | P276 K277 Y282 F291 G309 D310 D313 A317 | P276-F315 HydrophobicContact CB-CE2 4.36Å; P276-F315 HydrophobicContact CB-CZ 4.46Å; K277-F315 HydrophobicContact CB-CD1 4.3Å; K277-F315 HydrophobicContact CB-CD2 4.06Å; K277-F315 HydrophobicContact CB-CE1 3.97Å; K277-F315 HydrophobicContact CB-CE2 3.71Å; K277-F315 HydrophobicContact CB-CG 4.34Å; K277-F315 HydrophobicContact CB-CZ 3.66Å; K277-F315 HydrophobicContact CD-CD1 4.07Å; K277-F315 HydrophobicContact CD-CE1 4.3Å; K277-F315 HydrophobicContact CD-CG 4.35Å; K277-F315 HydrophobicContact CG-CD1 4.02Å; K277-F315 HydrophobicContact CG-CD2 3.97Å; K277-F315 HydrophobicContact CG-CE1 4.2Å; K277-F315 HydrophobicContact CG-CE2 4.15Å; K277-F315 HydrophobicContact CG-CG 3.9Å; K277-F315 HydrophobicContact CG-CZ 4.26Å; Y282-F315 HydrophobicContact CD1-CD2 4.06Å; Y282-F315 AromaticContact CD1-CE2 3.71Å; Y282-F315 HydrophobicContact CD1-CE2 3.71Å; Y282-F315 AromaticContact CE1-CD2 3.9Å; Y282-F315 HydrophobicContact CE1-CD2 3.9Å; Y282-F315 AromaticContact CE1-CE2 3.52Å; Y282-F315 HydrophobicContact CE1-CE2 3.52Å; F291-F315 WeakPolarHBondContact CE2-O 3.49Å; G309-F315 CarbonylContact C-O 3.55Å; G309-F315 VanDerWaalsContact CA-O 3.23Å; G309-F315 WeakPolarHBondContact CA-O 3.09Å; D310-F315 HydrophobicContact CB-CB 4.29Å; D310-F315 HydrophobicContact CB-CD1 4.36Å; D310-F315 PolarHBondContact N-O 2.95Å; D310-F315 PolarHBondContact O-N 3.38Å; D313-F315 HydrophobicContact CB-CB 4.26Å; D313-F315 PolarHBondContact O-N 3.42Å; D313-F315 VanDerWaalsContact O-N 3.09Å; F315-A317 HydrophobicContact CE1-CB 4.11Å; F315-A317 HydrophobicContact CZ-CB 3.88Å |
| 316 | I | 98.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 126.5 | 168.2 | -57.6 | 179.7 | 0 | 0 | 0 | 107.2 | Y282 I285 F291 I294 M295 P338 | Y282-I316 VanDerWaalsContact CE1-O 3.26Å; Y282-I316 WeakPolarHBondContact CE1-O 3.19Å; Y282-I316 PolarHBondContact OH-O 2.93Å; I285-I316 HydrophobicContact CD1-CD1 4.26Å; I285-I316 HydrophobicContact CG1-CD1 3.76Å; I285-I316 HydrophobicContact CG1-CG1 3.94Å; F291-I316 HydrophobicContact CD2-CD1 3.88Å; F291-I316 HydrophobicContact CD2-CG1 3.61Å; F291-I316 HydrophobicContact CE2-CD1 4.2Å; F291-I316 HydrophobicContact CE2-CG1 3.59Å; I294-I316 HydrophobicContact CB-CD1 3.76Å; I294-I316 HydrophobicContact CG2-CD1 3.51Å; M295-I316 HydrophobicContact CG-CD1 3.84Å; M295-I316 HydrophobicContact CG-CG1 4.23Å; M295-I316 HydrophobicContact SD-CB 4.44Å; M295-I316 HydrophobicContact SD-CD1 3.82Å; M295-I316 HydrophobicContact SD-CG1 3.82Å; M295-I316 HydrophobicContact SD-CG2 3.89Å; I316-P338 HydrophobicContact CB-CG 3.72Å; I316-P338 HydrophobicContact CG2-CG 3.75Å |
| 317 | A | 98.5 | Very high | 97.6 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 6% | 0.058 | 27% | 0.265 | C | S | . | . | trans | -63.5 | 149.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D308 F315 T319 | D308-A317 HydrophobicContact CB-CB 4.19Å; D308-A317 PolarHBondContact O-N 3.07Å; F315-A317 HydrophobicContact CE1-CB 4.11Å; F315-A317 HydrophobicContact CZ-CB 3.88Å; A317-T319 PolarHBondContact O-N 3.45Å; A317-T319 PolarHBondContact O-OG1 3.07Å | ||
| 318 | P | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | trans | -52.6 | 108.7 | 169.5 | -25.7 | 35.3 | 0 | 0 | 0 | 110.3 | Y237 I268 Y272 P276 Y282 G306 | Y237-P318 HydrophobicContact CD1-CB 3.7Å; Y237-P318 HydrophobicContact CD1-CG 4.35Å; Y237-P318 HydrophobicContact CD2-CB 4.39Å; Y237-P318 VanDerWaalsContact CE1-CA 3.48Å; Y237-P318 HydrophobicContact CE1-CB 3.58Å; Y237-P318 HydrophobicContact CE2-CB 4.29Å; Y237-P318 HydrophobicContact CG-CB 4.13Å; I268-P318 HydrophobicContact CD1-CB 3.84Å; I268-P318 HydrophobicContact CG1-CB 3.99Å; I268-P318 HydrophobicContact CG2-CB 3.77Å; I268-P318 HydrophobicContact CG2-CG 3.96Å; Y272-P318 HydrophobicContact CD2-CG 4.19Å; P276-P318 HydrophobicContact CB-CG 4.07Å; P276-P318 HydrophobicContact CG-CG 4.07Å; Y282-P318 HydrophobicContact CD2-CG 4.42Å; Y282-P318 HydrophobicContact CE2-CG 3.65Å; Y282-P318 WeakPolarHBondContact OH-CD 3.22Å; G306-P318 WeakPolarHBondContact CA-O 3.43Å | ||
| 319 | T | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 135.7 | -169.4 | -60.8 | 0 | 0 | 0 | 0 | 110.4 | Y237 V303 A305 G307 A317 L321 P338 I339 L340 | Y237-T319 PolarHBondContact OH-O 3.39Å; V303-T319 HydrophobicContact CG1-CG2 4.35Å; A305-T319 VanDerWaalsContact O-CA 3.3Å; A305-T319 WeakPolarHBondContact O-CA 3.32Å; G307-T319 PolarHBondContact N-OG1 2.88Å; A317-T319 PolarHBondContact O-N 3.45Å; A317-T319 PolarHBondContact O-OG1 3.07Å; T319-L321 HydrophobicContact CG2-CD2 3.86Å; T319-P338 WeakPolarHBondContact CB-O 3.3Å; T319-P338 PolarHBondContact N-O 2.92Å; T319-I339 HydrophobicContact CG2-CG2 4.44Å; T319-L340 PolarHBondContact O-N 3.47Å |
| 320 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 128.1 | 174.9 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | Y237 I261 V264 I268 A304 A305 I342 | Y237-V320 WeakPolarHBondContact OH-CG2 3.35Å; I261-V320 HydrophobicContact CG1-CG1 4.2Å; V264-V320 HydrophobicContact CG1-CG2 3.59Å; I268-V320 HydrophobicContact CD1-CG2 4.12Å; A304-V320 PolarHBondContact N-O 3.47Å; A305-V320 HydrophobicContact CB-CB 4.14Å; A305-V320 HydrophobicContact CB-CG2 4.14Å; A305-V320 PolarHBondContact N-O 2.95Å; A305-V320 PolarHBondContact O-N 3Å; V320-I342 HydrophobicContact CG1-CD1 3.64Å; V320-I342 HydrophobicContact CG1-CG1 4.25Å |
| 321 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 135.2 | 177.8 | -51.7 | 178.3 | 0 | 0 | 0 | 110 | V298 T302 V303 T319 V324 V330 I339 L340 I342 | V298-L321 HydrophobicContact CG1-CD2 4.18Å; T302-L321 WeakPolarHBondContact O-CA 3.37Å; V303-L321 HydrophobicContact CB-CD2 4.5Å; V303-L321 HydrophobicContact CG2-CD2 3.9Å; T319-L321 HydrophobicContact CG2-CD2 3.86Å; L321-V324 HydrophobicContact CB-CG2 3.52Å; L321-V324 HydrophobicContact CD1-CG2 4.46Å; L321-V330 HydrophobicContact CD1-CB 4.42Å; L321-V330 HydrophobicContact CD1-CG1 4.14Å; L321-V330 HydrophobicContact CD1-CG2 4.16Å; L321-I339 HydrophobicContact CD1-CG2 3.45Å; L321-I339 VanDerWaalsContact CD1-CG2 3.45Å; L321-I339 HydrophobicContact CD2-CG2 4.46Å; L321-I339 HydrophobicContact CG-CG2 3.76Å; L321-L340 PolarHBondContact N-O 3.46Å; L321-I342 PolarHBondContact O-N 3.49Å |
| 322 | R | 98.4 | Very high | 97.7 | Very high | 70 Ų | 70 | 47.2 Ų | 47.2 | 26% | 0.264 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 151 | -179 | -179.1 | -179.1 | -174.8 | 147.5 | 15.7 | 111 | D258 I261 T302 A304 V324 | D258-R322 IonicContact OD1-CZ 3.86Å; D258-R322 IonicContact OD1-NH1 3.99Å; D258-R322 PolarHBondContact OD1-NH1 3.32Å; D258-R322 IonicContact OD1-NH2 2.9Å; D258-R322 PolarHBondContact OD1-NH2 2.91Å; D258-R322 IonicContact OD2-CZ 2.99Å; D258-R322 IonicContact OD2-NH1 2.82Å; D258-R322 IonicContact OD2-NH2 3.03Å; D258-R322 PolarHBondContact OD2-NH2 3.34Å; I261-R322 HydrophobicContact CD1-CB 3.89Å; I261-R322 HydrophobicContact CD1-CG 3.76Å; T302-R322 PolarHBondContact O-N 3.22Å; A304-R322 HydrophobicContact CB-CB 4.06Å; R322-V324 PolarHBondContact O-N 2.93Å; R322-V324 VanDerWaalsContact O-N 3.1Å |
| 323 | D | 98 | Very high | 97.6 | Very high | 68 Ų | 68 | 45.9 Ų | 45.9 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 53.3 | 34.4 | 171 | -65.3 | -40.3 | 0 | 0 | 0 | 113.9 | Q257 K325 | Q257-D323 PolarHBondContact NE2-OD1 3.33Å; Q257-D323 PolarHBondContact OE1-OD1 3.45Å; D323-K325 PolarHBondContact O-N 2.91Å |
| 324 | V | 98.3 | Very high | 97.7 | Very high | 7 Ų | 7 | 45.5 Ų | 45.5 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | trans | -65.9 | 133.4 | -175.1 | 179 | 0 | 0 | 0 | 0 | 109.8 | L321 R322 A328 V330 M331 P341 I342 L343 | L321-V324 HydrophobicContact CB-CG2 3.52Å; L321-V324 HydrophobicContact CD1-CG2 4.46Å; R322-V324 PolarHBondContact O-N 2.93Å; R322-V324 VanDerWaalsContact O-N 3.1Å; V324-A328 HydrophobicContact CG1-CB 3.93Å; V324-V330 HydrophobicContact CG1-CG1 3.73Å; V324-M331 HydrophobicContact CG1-CG 3.81Å; V324-P341 HydrophobicContact CB-CB 4.19Å; V324-P341 HydrophobicContact CG1-CB 4.14Å; V324-P341 HydrophobicContact CG2-CB 3.93Å; V324-I342 PolarHBondContact N-O 3.21Å; V324-L343 HydrophobicContact CB-CD1 4.15Å; V324-L343 HydrophobicContact CB-CG 4.19Å; V324-L343 HydrophobicContact CG1-CD1 4.25Å; V324-L343 HydrophobicContact CG1-CG 4.41Å; V324-L343 WeakPolarHBondContact O-CG 3.43Å | ||
| 325 | K | 96.6 | Very high | 97.7 | Very high | 129 Ų | 129 | 44.7 Ų | 44.7 | 56% | 0.561 | 22% | 0.22 | S | C | * | . | trans | -86.4 | 146.7 | 177.1 | -56.4 | -55 | -177.4 | -169.2 | 0 | 111.1 | D323 D327 A328 | D323-K325 PolarHBondContact O-N 2.91Å; K325-D327 WeakPolarHBondContact CB-OD1 3.17Å; K325-D327 PolarHBondContact O-N 2.91Å; K325-D327 VanDerWaalsContact O-N 3.14Å; K325-A328 WeakPolarHBondContact O-CB 3.22Å; K325-A328 PolarHBondContact O-N 2.69Å | ||
| 326 | P | 95.6 | Very high | 97.7 | Very high | 76 Ų | 76 | 45.2 Ų | 45.2 | 49% | 0.494 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -31.5 | 177.3 | -33.7 | 39.8 | 0 | 0 | 0 | 116 | M331 Q332 F354 | P326-M331 WeakPolarHBondContact O-CB 3.36Å; P326-Q332 PolarHBondContact O-NE2 3.5Å; P326-F354 HydrophobicContact CB-CE2 3.83Å; P326-F354 HydrophobicContact CG-CE2 3.86Å |
| 327 | D | 95.4 | Very high | 97.7 | Very high | 127 Ų | 127 | 45.1 Ų | 45.1 | 68% | 0.679 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -1.8 | -177.8 | 61.5 | -22.2 | 0 | 0 | 0 | 113.5 | K325 | K325-D327 WeakPolarHBondContact CB-OD1 3.17Å; K325-D327 PolarHBondContact O-N 2.91Å; K325-D327 VanDerWaalsContact O-N 3.14Å |
| 328 | A | 97.1 | Very high | 97.7 | Very high | 21 Ų | 21 | 44.8 Ų | 44.8 | 17% | 0.174 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -59.9 | 148.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V324 K325 V330 M331 Q332 | V324-A328 HydrophobicContact CG1-CB 3.93Å; K325-A328 WeakPolarHBondContact O-CB 3.22Å; K325-A328 PolarHBondContact O-N 2.69Å; A328-V330 VanDerWaalsContact C-N 3.27Å; A328-V330 HydrophobicContact CB-CG1 4.25Å; A328-V330 PolarHBondContact O-N 3.46Å; A328-M331 WeakPolarHBondContact O-CA 3.16Å; A328-M331 WeakPolarHBondContact O-CB 3.39Å; A328-M331 PolarHBondContact O-N 2.95Å; A328-Q332 PolarHBondContact O-N 2.99Å; A328-Q332 PolarHBondContact O-NE2 3.17Å |
| 329 | K | 96.4 | Very high | 97.7 | Very high | 145 Ų | 145 | 44.6 Ų | 44.6 | 63% | 0.63 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -53.5 | -43.1 | -179 | -68.8 | -178.5 | -177.7 | 172.2 | 0 | 112.6 | M331 Q332 | K329-M331 PolarHBondContact O-N 3.18Å; K329-Q332 PolarHBondContact O-N 2.93Å |
| 330 | V | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.2 | -18.2 | 177 | 74.9 | 0 | 0 | 0 | 0 | 113.7 | K214 L297 L321 V324 A328 I335 I339 P341 | K214-V330 PolarHBondContact NZ-O 3.35Å; L297-V330 HydrophobicContact CB-CB 4.24Å; L297-V330 HydrophobicContact CB-CG2 4.15Å; L297-V330 WeakPolarHBondContact O-CB 3.44Å; L321-V330 HydrophobicContact CD1-CB 4.42Å; L321-V330 HydrophobicContact CD1-CG1 4.14Å; L321-V330 HydrophobicContact CD1-CG2 4.16Å; V324-V330 HydrophobicContact CG1-CG1 3.73Å; A328-V330 VanDerWaalsContact C-N 3.27Å; A328-V330 HydrophobicContact CB-CG1 4.25Å; A328-V330 PolarHBondContact O-N 3.46Å; V330-I335 HydrophobicContact CG2-CD1 3.71Å; V330-I335 HydrophobicContact CG2-CG1 3.96Å; V330-I339 HydrophobicContact CG2-CG2 4Å; V330-P341 HydrophobicContact CB-CG 4.35Å; V330-P341 HydrophobicContact CG1-CB 4.29Å; V330-P341 HydrophobicContact CG1-CG 3.85Å; V330-P341 HydrophobicContact CG2-CG 3.56Å |
| 331 | M | 98.1 | Very high | 97.7 | Very high | 16 Ų | 16 | 44.5 Ų | 44.5 | 8% | 0.079 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -97.5 | -8 | 177.6 | -67.4 | -54.5 | -63.2 | 0 | 0 | 114.4 | K214 Y249 V324 P326 A328 K329 P341 L343 F354 | K214-M331 WeakPolarHBondContact CD-O 3.34Å; K214-M331 VanDerWaalsContact CE-O 3.28Å; K214-M331 WeakPolarHBondContact CE-O 3.42Å; Y249-M331 HydrophobicContact CD1-CE 3.81Å; Y249-M331 HydrophobicContact CD1-SD 4.49Å; Y249-M331 HydrophobicContact CD2-CE 3.86Å; Y249-M331 HydrophobicContact CE1-CE 4.09Å; Y249-M331 HydrophobicContact CE2-CE 4.1Å; Y249-M331 HydrophobicContact CG-CE 3.69Å; Y249-M331 HydrophobicContact CG-SD 4.19Å; V324-M331 HydrophobicContact CG1-CG 3.81Å; P326-M331 WeakPolarHBondContact O-CB 3.36Å; A328-M331 WeakPolarHBondContact O-CA 3.16Å; A328-M331 WeakPolarHBondContact O-CB 3.39Å; A328-M331 PolarHBondContact O-N 2.95Å; K329-M331 PolarHBondContact O-N 3.18Å; M331-P341 HydrophobicContact SD-CB 4.07Å; M331-P341 HydrophobicContact SD-CG 4.25Å; M331-L343 HydrophobicContact CE-CD1 3.87Å; M331-L343 HydrophobicContact CE-CD2 3.8Å; M331-L343 HydrophobicContact CG-CD1 4.26Å; M331-L343 HydrophobicContact CG-CD2 4.21Å; M331-L343 HydrophobicContact SD-CD1 3.58Å; M331-L343 VanDerWaalsContact SD-CD1 3.58Å; M331-L343 HydrophobicContact SD-CD2 4.25Å; M331-F354 HydrophobicContact CE-CE1 4.18Å; M331-F354 HydrophobicContact CE-CZ 3.96Å |
| 332 | Q | 95.9 | Very high | 97.7 | Very high | 126 Ų | 126 | 44.5 Ų | 44.5 | 59% | 0.589 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -89.6 | -18.4 | -176.5 | -56.7 | -44.7 | -65.6 | 0 | 0 | 114.2 | P326 A328 K329 | P326-Q332 PolarHBondContact O-NE2 3.5Å; A328-Q332 PolarHBondContact O-N 2.99Å; A328-Q332 PolarHBondContact O-NE2 3.17Å; K329-Q332 PolarHBondContact O-N 2.93Å |
| 333 | E | 95.5 | Very high | 97.7 | Very high | 77 Ų | 77 | 41.4 Ų | 41.4 | 36% | 0.36 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -137.3 | 164.6 | 177.4 | 63.3 | 175.7 | -127.3 | 0 | 0 | 111.8 | K214 R293 L297 I335 | K214-E333 WeakPolarHBondContact CD-O 3.39Å; K214-E333 PolarHBondContact NZ-O 2.7Å; R293-E333 VanDerWaalsContact CD-OE1 3.3Å; R293-E333 WeakPolarHBondContact CD-OE1 3.24Å; R293-E333 WeakPolarHBondContact CG-OE1 3.41Å; R293-E333 IonicContact CZ-OE1 2.68Å; R293-E333 IonicContact NE-OE1 2.66Å; R293-E333 IonicContact NH1-OE1 3.91Å; R293-E333 PolarHBondContact NH1-OE1 2.86Å; L297-E333 HydrophobicContact CD1-CG 4.4Å; L297-E333 HydrophobicContact CD2-CG 3.81Å; E333-I335 PolarHBondContact O-N 2.61Å |
| 334 | E | 98.2 | Very high | 97.7 | Very high | 49 Ų | 49 | 40 Ų | 40 | 23% | 0.229 | 20% | 0.2 | C | C | . | . | trans | -62.5 | 126.9 | 171 | -176.4 | 178 | -154.3 | 0 | 0 | 110.1 | G212 G213 R293 F336 | G212-E334 WeakPolarHBondContact CA-OE1 3.45Å; G213-E334 PolarHBondContact N-OE1 3.14Å; R293-E334 PolarHBondContact NH1-O 3.28Å; E334-F336 HydrophobicContact CG-CB 4.37Å; E334-F336 HydrophobicContact CG-CD2 4.26Å | ||
| 335 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -71.1 | -47.5 | -171.9 | -61.2 | 173.9 | 0 | 0 | 0 | 109.8 | D248 R293 L297 V330 E333 G337 I339 P341 | D248-I335 VanDerWaalsContact O-CD1 3.3Å; D248-I335 WeakPolarHBondContact O-CD1 3.49Å; D248-I335 WeakPolarHBondContact OD2-CB 3.17Å; D248-I335 WeakPolarHBondContact OD2-CG1 3.34Å; D248-I335 PolarHBondContact OD2-N 2.71Å; R293-I335 PolarHBondContact NH1-O 2.68Å; R293-I335 PolarHBondContact NH2-O 3.04Å; L297-I335 HydrophobicContact CD1-CG2 4.35Å; V330-I335 HydrophobicContact CG2-CD1 3.71Å; V330-I335 HydrophobicContact CG2-CG1 3.96Å; E333-I335 PolarHBondContact O-N 2.61Å; I335-G337 PolarHBondContact O-N 3.36Å; I335-I339 WeakPolarHBondContact CD1-O 3.15Å; I335-I339 HydrophobicContact CG2-CB 3.91Å; I335-P341 VanDerWaalsContact CD1-CD 3.41Å; I335-P341 HydrophobicContact CD1-CG 3.56Å | ||
| 336 | F | 98.7 | Very high | 97.7 | Very high | 24 Ų | 24 | 38.2 Ų | 38.2 | 11% | 0.105 | 20% | 0.204 | C | C | . | . | trans | 47.2 | 47.3 | -179.9 | -141 | -103.4 | 0 | 0 | 0 | 112.7 | W114 N115 G241 Q242 I294 E334 | W114-F336 AromaticContact CH2-CD1 3.53Å; W114-F336 HydrophobicContact CH2-CD1 3.53Å; W114-F336 AromaticContact CH2-CE1 3.28Å; W114-F336 HydrophobicContact CH2-CE1 3.28Å; W114-F336 AromaticContact CZ2-CD1 3.75Å; W114-F336 HydrophobicContact CZ2-CD1 3.75Å; W114-F336 AromaticContact CZ2-CE1 3.43Å; W114-F336 HydrophobicContact CZ2-CE1 3.43Å; W114-F336 VanDerWaalsContact CZ2-CE1 3.43Å; W114-F336 AromaticContact CZ3-CE1 3.99Å; W114-F336 HydrophobicContact CZ3-CE1 3.99Å; N115-F336 HydrophobicContact CB-CE1 3.92Å; N115-F336 HydrophobicContact CB-CZ 3.91Å; N115-F336 WeakPolarHBondContact ND2-CZ 3.37Å; G241-F336 CarbonylContact O-C 3.59Å; G241-F336 WeakPolarHBondContact O-CA 3.39Å; Q242-F336 HydrophobicContact CB-CD1 3.82Å; Q242-F336 HydrophobicContact CB-CE1 3.72Å; Q242-F336 HydrophobicContact CB-CZ 4.49Å; Q242-F336 HydrophobicContact CG-CD1 4.13Å; Q242-F336 HydrophobicContact CG-CE1 4.45Å; I294-F336 WeakPolarHBondContact CD1-O 3.31Å; E334-F336 HydrophobicContact CG-CB 4.37Å; E334-F336 HydrophobicContact CG-CD2 4.26Å | ||
| 337 | G | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -172.3 | 170.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K236 C240 G241 I335 I339 | K236-G337 VanDerWaalsContact CE-O 3.29Å; K236-G337 WeakPolarHBondContact CE-O 3.24Å; K236-G337 PolarHBondContact NZ-O 2.98Å; C240-G337 CarbonylContact O-C 3.51Å; C240-G337 WeakPolarHBondContact O-CA 3.46Å; G241-G337 PolarHBondContact O-N 3.39Å; I335-G337 PolarHBondContact O-N 3.36Å; G337-I339 PolarHBondContact O-N 3.25Å |
| 338 | P | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -85.3 | 44.6 | -170.1 | 36.3 | -36.8 | 0 | 0 | 0 | 112.2 | Y237 C240 Y282 I285 I316 T319 | Y237-P338 HydrophobicContact CD1-CB 3.81Å; Y237-P338 HydrophobicContact CE1-CB 4.12Å; Y237-P338 WeakPolarHBondContact CE1-O 3.32Å; C240-P338 WeakPolarHBondContact O-CD 3.47Å; C240-P338 VanDerWaalsContact O-N 3.13Å; Y282-P338 WeakPolarHBondContact OH-CB 3.45Å; Y282-P338 WeakPolarHBondContact OH-CG 3.36Å; I285-P338 HydrophobicContact CD1-CG 4.5Å; I316-P338 HydrophobicContact CB-CG 3.72Å; I316-P338 HydrophobicContact CG2-CG 3.75Å; T319-P338 WeakPolarHBondContact CB-O 3.3Å; T319-P338 PolarHBondContact N-O 2.92Å |
| 339 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 121.5 | 175.3 | -57.5 | 173.2 | 0 | 0 | 0 | 108.3 | K236 I294 L297 V298 T319 L321 V330 I335 G337 P341 | K236-I339 WeakPolarHBondContact CE-O 3.49Å; K236-I339 PolarHBondContact NZ-O 3.28Å; I294-I339 HydrophobicContact CG2-CD1 3.49Å; I294-I339 VanDerWaalsContact CG2-CD1 3.49Å; I294-I339 HydrophobicContact CG2-CG1 4Å; I294-I339 WeakPolarHBondContact O-CD1 3.43Å; L297-I339 HydrophobicContact CB-CD1 4.35Å; V298-I339 HydrophobicContact CG2-CD1 3.58Å; V298-I339 HydrophobicContact CG2-CG1 4.38Å; T319-I339 HydrophobicContact CG2-CG2 4.44Å; L321-I339 HydrophobicContact CD1-CG2 3.45Å; L321-I339 VanDerWaalsContact CD1-CG2 3.45Å; L321-I339 HydrophobicContact CD2-CG2 4.46Å; L321-I339 HydrophobicContact CG-CG2 3.76Å; V330-I339 HydrophobicContact CG2-CG2 4Å; I335-I339 WeakPolarHBondContact CD1-O 3.15Å; I335-I339 HydrophobicContact CG2-CB 3.91Å; G337-I339 PolarHBondContact O-N 3.25Å; I339-P341 WeakPolarHBondContact O-CD 3.32Å |
| 340 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 97.3 | -179.7 | -175.3 | 59.7 | 0 | 0 | 0 | 110.8 | I232 K236 I250 V264 T319 L321 | I232-L340 HydrophobicContact CG2-CD2 4.22Å; K236-L340 HydrophobicContact CD-CB 4.42Å; K236-L340 HydrophobicContact CD-CD1 4.09Å; K236-L340 HydrophobicContact CG-CB 4.15Å; K236-L340 HydrophobicContact CG-CD1 4.24Å; K236-L340 HydrophobicContact CG-CD2 4.43Å; I250-L340 HydrophobicContact CD1-CD1 4.25Å; I250-L340 HydrophobicContact CD1-CD2 3.81Å; I250-L340 HydrophobicContact CD1-CG 4.16Å; I250-L340 HydrophobicContact CG1-CD1 4.1Å; I250-L340 HydrophobicContact CG1-CG 4.49Å; V264-L340 HydrophobicContact CG1-CD2 4.29Å; V264-L340 HydrophobicContact CG2-CD2 4.48Å; T319-L340 PolarHBondContact O-N 3.47Å; L321-L340 PolarHBondContact N-O 3.46Å |
| 341 | P | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 137.8 | 171.2 | -20.9 | 35.4 | 0 | 0 | 0 | 112.1 | D248 Y249 I250 V324 V330 M331 I335 I339 L343 | D248-P341 WeakPolarHBondContact O-CD 3.48Å; Y249-P341 WeakPolarHBondContact CA-O 3.33Å; I250-P341 PolarHBondContact N-O 2.96Å; V324-P341 HydrophobicContact CB-CB 4.19Å; V324-P341 HydrophobicContact CG1-CB 4.14Å; V324-P341 HydrophobicContact CG2-CB 3.93Å; V330-P341 HydrophobicContact CB-CG 4.35Å; V330-P341 HydrophobicContact CG1-CB 4.29Å; V330-P341 HydrophobicContact CG1-CG 3.85Å; V330-P341 HydrophobicContact CG2-CG 3.56Å; M331-P341 HydrophobicContact SD-CB 4.07Å; M331-P341 HydrophobicContact SD-CG 4.25Å; I335-P341 VanDerWaalsContact CD1-CD 3.41Å; I335-P341 HydrophobicContact CD1-CG 3.56Å; I339-P341 WeakPolarHBondContact O-CD 3.32Å; P341-L343 HydrophobicContact CB-CD1 3.88Å |
| 342 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 118 | 169.8 | -53.2 | 174.4 | 0 | 0 | 0 | 109 | I250 Q257 V260 I261 V320 L321 V324 | I250-I342 HydrophobicContact CB-CG1 4.21Å; I250-I342 HydrophobicContact CB-CG2 4.28Å; I250-I342 HydrophobicContact CD1-CG1 4.25Å; I250-I342 HydrophobicContact CG2-CG2 4.08Å; Q257-I342 HydrophobicContact CG-CG2 3.79Å; V260-I342 HydrophobicContact CG1-CD1 3.93Å; I261-I342 HydrophobicContact CD1-CD1 4.33Å; I261-I342 HydrophobicContact CG1-CD1 3.5Å; V320-I342 HydrophobicContact CG1-CD1 3.64Å; V320-I342 HydrophobicContact CG1-CG1 4.25Å; L321-I342 PolarHBondContact O-N 3.49Å; V324-I342 PolarHBondContact N-O 3.21Å |
| 343 | L | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 118.7 | -178.6 | -74.5 | 84.8 | 0 | 0 | 0 | 109.2 | Y249 I250 L251 C252 V324 M331 P341 F354 | Y249-L343 HydrophobicContact CD2-CD1 4.08Å; Y249-L343 HydrophobicContact CG-CD1 4.41Å; I250-L343 PolarHBondContact O-N 3Å; L251-L343 WeakPolarHBondContact CA-O 3.04Å; L251-L343 HydrophobicContact CD2-CB 3.85Å; C252-L343 PolarHBondContact N-O 3Å; V324-L343 HydrophobicContact CB-CD1 4.15Å; V324-L343 HydrophobicContact CB-CG 4.19Å; V324-L343 HydrophobicContact CG1-CD1 4.25Å; V324-L343 HydrophobicContact CG1-CG 4.41Å; V324-L343 WeakPolarHBondContact O-CG 3.43Å; M331-L343 HydrophobicContact CE-CD1 3.87Å; M331-L343 HydrophobicContact CE-CD2 3.8Å; M331-L343 HydrophobicContact CG-CD1 4.26Å; M331-L343 HydrophobicContact CG-CD2 4.21Å; M331-L343 HydrophobicContact SD-CD1 3.58Å; M331-L343 VanDerWaalsContact SD-CD1 3.58Å; M331-L343 HydrophobicContact SD-CD2 4.25Å; P341-L343 HydrophobicContact CB-CD1 3.88Å; L343-F354 HydrophobicContact CD2-CE1 4.42Å; L343-F354 HydrophobicContact CD2-CE2 4.1Å; L343-F354 HydrophobicContact CD2-CZ 3.71Å |
| 344 | P | 98.3 | Very high | 98.4 | Very high | 38 Ų | 38 | 30 Ų | 30 | 25% | 0.247 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 132.2 | 171.7 | -15.4 | 28.5 | 0 | 0 | 0 | 111.4 | C252 P254 | C252-P344 CarbonylContact O-C 3.54Å; C252-P344 VanDerWaalsContact O-CA 3.27Å; C252-P344 WeakPolarHBondContact O-CA 3.46Å; P254-P344 HydrophobicContact CB-CB 4.34Å; P254-P344 HydrophobicContact CG-CB 3.78Å |
| 345 | V | 98.3 | Very high | 98.5 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 4% | 0.036 | 15% | 0.15 | C | C | . | . | trans | -135 | 147.3 | 171.7 | -67.5 | 0 | 0 | 0 | 0 | 110.2 | Y218 L251 C252 D253 P254 G347 E350 A351 | Y218-V345 HydrophobicContact CE2-CG2 4.21Å; L251-V345 HydrophobicContact CB-CG2 4.04Å; L251-V345 HydrophobicContact CD2-CG1 3.71Å; C252-V345 PolarHBondContact O-N 3.17Å; D253-V345 VanDerWaalsContact CA-O 3.28Å; D253-V345 WeakPolarHBondContact CA-O 3.3Å; P254-V345 WeakPolarHBondContact CD-O 3.07Å; V345-G347 PolarHBondContact O-N 3.27Å; V345-E350 WeakPolarHBondContact CA-OE2 3.5Å; V345-E350 HydrophobicContact CB-CB 4.26Å; V345-E350 HydrophobicContact CB-CG 4.1Å; V345-E350 HydrophobicContact CG1-CG 4.11Å; V345-A351 HydrophobicContact CG2-CB 4.22Å | ||
| 346 | S | 95.9 | Very high | 98.5 | Very high | 93 Ų | 93 | 32.3 Ų | 32.3 | 65% | 0.65 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -76.6 | 11.3 | -174.2 | 80.2 | 0 | 0 | 0 | 0 | 114.6 | E350 | S346-E350 WeakPolarHBondContact CB-OE2 3.41Å; S346-E350 PolarHBondContact N-OE2 2.81Å; S346-E350 PolarHBondContact OG-OE2 2.83Å |
| 347 | G | 96.6 | Very high | 98.4 | Very high | 17 Ų | 17 | 40.2 Ų | 40.2 | 18% | 0.175 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 136.7 | -170 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | V345 D349 E350 A351 | V345-G347 PolarHBondContact O-N 3.27Å; G347-D349 PolarHBondContact O-N 2.66Å; G347-E350 PolarHBondContact O-N 3.01Å; G347-A351 PolarHBondContact O-N 2.95Å; G347-A351 VanDerWaalsContact O-N 3.11Å |
| 348 | L | 98.5 | Very high | 98.3 | Very high | 20 Ų | 20 | 42.5 Ų | 42.5 | 11% | 0.105 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.4 | -43.5 | -173.3 | -179.9 | 60.5 | 0 | 0 | 0 | 113.2 | Y218 E350 A351 I352 V373 R376 M377 | Y218-L348 HydrophobicContact CD1-CD1 4.38Å; Y218-L348 HydrophobicContact CE1-CD1 4.06Å; Y218-L348 PolarHBondContact OH-N 2.97Å; L348-E350 VanDerWaalsContact C-N 3.33Å; L348-E350 PolarHBondContact O-N 3.38Å; L348-A351 WeakPolarHBondContact O-CB 3.35Å; L348-A351 PolarHBondContact O-N 3.08Å; L348-I352 HydrophobicContact CD1-CD1 3.8Å; L348-I352 HydrophobicContact CD1-CG1 4.03Å; L348-I352 HydrophobicContact CD2-CD1 4.37Å; L348-I352 HydrophobicContact CG-CD1 3.73Å; L348-I352 HydrophobicContact CG-CG1 4.36Å; L348-I352 WeakPolarHBondContact O-CG1 3.34Å; L348-I352 PolarHBondContact O-N 2.6Å; L348-V373 HydrophobicContact CD1-CG1 4.11Å; L348-V373 HydrophobicContact CD2-CB 4.29Å; L348-V373 HydrophobicContact CD2-CG1 4.09Å; L348-V373 HydrophobicContact CD2-CG2 4.24Å; L348-R376 HydrophobicContact CD2-CB 3.98Å; L348-M377 HydrophobicContact CD1-CB 4.46Å; L348-M377 HydrophobicContact CD1-CE 3.56Å |
| 349 | D | 98.7 | Very high | 98.3 | Very high | 85 Ų | 85 | 48.6 Ų | 48.6 | 46% | 0.455 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.4 | -37.7 | -176.9 | -67.1 | -18.6 | 0 | 0 | 0 | 112.2 | G347 K353 R376 | G347-D349 PolarHBondContact O-N 2.66Å; D349-K353 WeakPolarHBondContact O-CB 3.33Å; D349-K353 VanDerWaalsContact O-CG 3.23Å; D349-K353 WeakPolarHBondContact O-CG 3.39Å; D349-K353 PolarHBondContact O-N 3.49Å; D349-K353 VanDerWaalsContact O-N 3.12Å; D349-R376 IonicContact OD1-CZ 2.63Å; D349-R376 VanDerWaalsContact OD1-CZ 3.26Å; D349-R376 IonicContact OD1-NH1 3.02Å; D349-R376 PolarHBondContact OD1-NH1 3.41Å; D349-R376 IonicContact OD1-NH2 3.93Å; D349-R376 PolarHBondContact OD1-NH2 3.49Å |
| 350 | E | 98.6 | Very high | 98.3 | Very high | 84 Ų | 84 | 52.9 Ų | 52.9 | 39% | 0.393 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70.6 | -40.8 | 174.8 | -175.3 | 175.8 | -168.5 | 0 | 0 | 110.9 | V345 S346 G347 L348 I352 K353 F354 | V345-E350 WeakPolarHBondContact CA-OE2 3.5Å; V345-E350 HydrophobicContact CB-CB 4.26Å; V345-E350 HydrophobicContact CB-CG 4.1Å; V345-E350 HydrophobicContact CG1-CG 4.11Å; S346-E350 WeakPolarHBondContact CB-OE2 3.41Å; S346-E350 PolarHBondContact N-OE2 2.81Å; S346-E350 PolarHBondContact OG-OE2 2.83Å; G347-E350 PolarHBondContact O-N 3.01Å; L348-E350 VanDerWaalsContact C-N 3.33Å; L348-E350 PolarHBondContact O-N 3.38Å; E350-I352 PolarHBondContact O-N 3.38Å; E350-K353 PolarHBondContact O-N 3.48Å; E350-F354 VanDerWaalsContact O-CB 3.29Å; E350-F354 WeakPolarHBondContact O-CB 3.4Å; E350-F354 PolarHBondContact O-N 2.91Å |
| 351 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.6 | -47.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y218 L251 V345 G347 L348 F354 I355 M377 | Y218-A351 HydrophobicContact CD2-CB 3.47Å; Y218-A351 VanDerWaalsContact CD2-CB 3.47Å; Y218-A351 HydrophobicContact CE2-CB 3.67Å; Y218-A351 HydrophobicContact CG-CB 4.28Å; L251-A351 HydrophobicContact CD1-CB 4.11Å; V345-A351 HydrophobicContact CG2-CB 4.22Å; G347-A351 PolarHBondContact O-N 2.95Å; G347-A351 VanDerWaalsContact O-N 3.11Å; L348-A351 WeakPolarHBondContact O-CB 3.35Å; L348-A351 PolarHBondContact O-N 3.08Å; A351-F354 WeakPolarHBondContact O-CB 3.42Å; A351-F354 PolarHBondContact O-N 2.95Å; A351-I355 VanDerWaalsContact O-CG1 3.25Å; A351-I355 WeakPolarHBondContact O-CG1 3.33Å; A351-I355 PolarHBondContact O-N 3.27Å; A351-M377 HydrophobicContact CB-CE 4.3Å |
| 352 | I | 98.9 | Very high | 98.3 | Very high | 8 Ų | 8 | 53.3 Ų | 53.3 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.9 | -47 | 177.5 | -70.4 | 168.5 | 0 | 0 | 0 | 110.6 | L348 E350 F354 I355 N356 M377 E380 T381 | L348-I352 HydrophobicContact CD1-CD1 3.8Å; L348-I352 HydrophobicContact CD1-CG1 4.03Å; L348-I352 HydrophobicContact CD2-CD1 4.37Å; L348-I352 HydrophobicContact CG-CD1 3.73Å; L348-I352 HydrophobicContact CG-CG1 4.36Å; L348-I352 WeakPolarHBondContact O-CG1 3.34Å; L348-I352 PolarHBondContact O-N 2.6Å; E350-I352 PolarHBondContact O-N 3.38Å; I352-F354 VanDerWaalsContact C-N 3.31Å; I352-F354 PolarHBondContact O-N 2.93Å; I352-I355 PolarHBondContact O-N 2.72Å; I352-N356 WeakPolarHBondContact O-CB 3.48Å; I352-N356 PolarHBondContact O-N 2.67Å; I352-N356 PolarHBondContact O-ND2 3.23Å; I352-M377 HydrophobicContact CG1-CE 4.31Å; I352-M377 HydrophobicContact CG1-SD 3.84Å; I352-E380 HydrophobicContact CD1-CB 4.17Å; I352-E380 HydrophobicContact CG2-CB 3.86Å; I352-T381 HydrophobicContact CG1-CG2 4.3Å; I352-T381 HydrophobicContact CG2-CG2 4.14Å |
| 353 | K | 98.8 | Very high | 98.3 | Very high | 155 Ų | 155 | 53.3 Ų | 53.3 | 67% | 0.674 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.9 | -40.7 | 177 | -74.3 | 171.9 | -173.3 | 174.6 | 0 | 112.2 | D349 E350 K357 | D349-K353 WeakPolarHBondContact O-CB 3.33Å; D349-K353 VanDerWaalsContact O-CG 3.23Å; D349-K353 WeakPolarHBondContact O-CG 3.39Å; D349-K353 PolarHBondContact O-N 3.49Å; D349-K353 VanDerWaalsContact O-N 3.12Å; E350-K353 PolarHBondContact O-N 3.48Å; K353-K357 PolarHBondContact O-N 3.26Å; K353-K357 VanDerWaalsContact O-N 3.15Å |
| 354 | F | 98.8 | Very high | 98.3 | Very high | 48 Ų | 48 | 53.1 Ų | 53.1 | 21% | 0.211 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.5 | -49.9 | 177.8 | -176.5 | -88.1 | 0 | 0 | 0 | 111.1 | Y249 L251 P326 M331 L343 E350 A351 I352 N356 K357 | Y249-F354 HydrophobicContact CE2-CD1 4.11Å; Y249-F354 AromaticContact CE2-CE1 3.59Å; Y249-F354 HydrophobicContact CE2-CE1 3.59Å; Y249-F354 AromaticContact CZ-CE1 3.77Å; Y249-F354 WeakPolarHBondContact OH-CE1 3.44Å; L251-F354 HydrophobicContact CD1-CD1 4.04Å; L251-F354 HydrophobicContact CD2-CD1 3.9Å; L251-F354 HydrophobicContact CD2-CE1 4.17Å; L251-F354 HydrophobicContact CD2-CG 4.29Å; P326-F354 HydrophobicContact CB-CE2 3.83Å; P326-F354 HydrophobicContact CG-CE2 3.86Å; M331-F354 HydrophobicContact CE-CE1 4.18Å; M331-F354 HydrophobicContact CE-CZ 3.96Å; L343-F354 HydrophobicContact CD2-CE1 4.42Å; L343-F354 HydrophobicContact CD2-CE2 4.1Å; L343-F354 HydrophobicContact CD2-CZ 3.71Å; E350-F354 VanDerWaalsContact O-CB 3.29Å; E350-F354 WeakPolarHBondContact O-CB 3.4Å; E350-F354 PolarHBondContact O-N 2.91Å; A351-F354 WeakPolarHBondContact O-CB 3.42Å; A351-F354 PolarHBondContact O-N 2.95Å; I352-F354 VanDerWaalsContact C-N 3.31Å; I352-F354 PolarHBondContact O-N 2.93Å; F354-N356 PolarHBondContact O-N 2.91Å; F354-K357 WeakPolarHBondContact O-CB 3.42Å; F354-K357 PolarHBondContact O-N 2.94Å |
| 355 | I | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 5% | 0.046 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.7 | -48 | 179.1 | -68.5 | 166.2 | 0 | 0 | 0 | 110.4 | P216 L251 A351 I352 K357 G358 L364 M377 T381 | P216-I355 HydrophobicContact CB-CD1 3.92Å; P216-I355 HydrophobicContact CB-CG1 3.87Å; P216-I355 HydrophobicContact CG-CD1 3.93Å; P216-I355 HydrophobicContact CG-CG1 3.93Å; P216-I355 HydrophobicContact CG-CG2 4.22Å; L251-I355 HydrophobicContact CD1-CD1 4.01Å; L251-I355 HydrophobicContact CD1-CG1 3.89Å; A351-I355 VanDerWaalsContact O-CG1 3.25Å; A351-I355 WeakPolarHBondContact O-CG1 3.33Å; A351-I355 PolarHBondContact O-N 3.27Å; I352-I355 PolarHBondContact O-N 2.72Å; I355-K357 PolarHBondContact O-N 3.19Å; I355-G358 PolarHBondContact O-N 2.67Å; I355-L364 HydrophobicContact CD1-CD1 4.09Å; I355-L364 HydrophobicContact CG2-CD1 3.99Å; I355-M377 HydrophobicContact CD1-CE 4.2Å; I355-M377 HydrophobicContact CD1-SD 3.8Å; I355-T381 HydrophobicContact CB-CG2 4.5Å; I355-T381 HydrophobicContact CG2-CG2 4.11Å |
| 356 | N | 98.8 | Very high | 98.4 | Very high | 87 Ų | 87 | 51.1 Ų | 51.1 | 47% | 0.465 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.2 | -15.8 | -177.8 | -72.9 | -19 | 0 | 0 | 0 | 114.3 | I352 F354 E380 | I352-N356 WeakPolarHBondContact O-CB 3.48Å; I352-N356 PolarHBondContact O-N 2.67Å; I352-N356 PolarHBondContact O-ND2 3.23Å; F354-N356 PolarHBondContact O-N 2.91Å; N356-E380 PolarHBondContact ND2-O 3.03Å |
| 357 | K | 98.1 | Very high | 98.5 | Very high | 191 Ų | 191 | 46.8 Ų | 46.8 | 83% | 0.83 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -77.1 | -25.7 | 172.2 | -173.4 | 180 | 175.8 | -173.9 | 0 | 112 | K353 F354 I355 | K353-K357 PolarHBondContact O-N 3.26Å; K353-K357 VanDerWaalsContact O-N 3.15Å; F354-K357 WeakPolarHBondContact O-CB 3.42Å; F354-K357 PolarHBondContact O-N 2.94Å; I355-K357 PolarHBondContact O-N 3.19Å |
| 358 | G | 96.5 | Very high | 98.6 | Very high | 48 Ų | 48 | 46 Ų | 46 | 50% | 0.495 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -82.9 | 174.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I355 | I355-G358 PolarHBondContact O-N 2.67Š|
| 359 | E | 98.1 | Very high | 98.6 | Very high | 128 Ų | 128 | 48.5 Ų | 48.5 | 60% | 0.598 | 25% | 0.251 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 147.1 | 167.6 | -70 | -66.7 | 179.2 | 0 | 0 | 110.8 | P361 N407 | E359-P361 WeakPolarHBondContact O-CD 3.38Å; E359-N407 HydrophobicContact CB-CB 4.11Å; E359-N407 VanDerWaalsContact CD-CG 3.42Å; E359-N407 HydrophobicContact CG-CB 4.24Å; E359-N407 WeakPolarHBondContact CG-ND2 3.33Å; E359-N407 PolarHBondContact OE1-ND2 2.86Å; E359-N407 VanDerWaalsContact OE1-ND2 3.08Å; E359-N407 PolarHBondContact OE2-ND2 3.16Å; E359-N407 PolarHBondContact OE2-OD1 2.58Å |
| 360 | K | 98.8 | Very high | 98.5 | Very high | 90 Ų | 90 | 47.4 Ų | 47.4 | 39% | 0.391 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -61.6 | 121.9 | -179.8 | -65.5 | -176.9 | 179.9 | -162.6 | 0 | 110.6 | S382 V405 S408 | K360-S382 WeakPolarHBondContact CD-OG 3.49Å; K360-S382 WeakPolarHBondContact CE-OG 3.34Å; K360-S382 PolarHBondContact NZ-OG 2.94Å; K360-V405 HydrophobicContact CB-CG1 4.13Å; K360-V405 WeakPolarHBondContact CB-O 3.42Å; K360-V405 HydrophobicContact CD-CG1 3.95Å; K360-V405 HydrophobicContact CD-CG2 4.11Å; K360-S408 VanDerWaalsContact O-CB 3.31Å; K360-S408 WeakPolarHBondContact O-CB 3.49Å; K360-S408 PolarHBondContact O-OG 3.38Å |
| 361 | P | 98.7 | Very high | 98.5 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -81.1 | 166 | -176.2 | 33.7 | -36.3 | 0 | 0 | 0 | 112 | P216 E359 A363 S383 G384 S408 | P216-P361 HydrophobicContact CG-CG 4.26Å; E359-P361 WeakPolarHBondContact O-CD 3.38Å; P361-A363 WeakPolarHBondContact CB-O 3.45Å; P361-A363 WeakPolarHBondContact CG-O 3.29Å; P361-S383 WeakPolarHBondContact O-CA 3.44Å; P361-G384 PolarHBondContact O-N 2.96Å; P361-G384 VanDerWaalsContact O-N 3.07Å; P361-S408 PolarHBondContact O-OG 3.36Å |
| 362 | L | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -71.1 | -39 | 173.8 | -175.8 | 60.3 | 0 | 0 | 0 | 111.4 | L211 C244 I245 G384 G385 F402 | L211-L362 WeakPolarHBondContact O-CD2 3.45Å; C244-L362 HydrophobicContact CB-CD2 3.64Å; I245-L362 HydrophobicContact CG2-CB 4.34Å; I245-L362 HydrophobicContact CG2-CD2 3.47Å; I245-L362 VanDerWaalsContact CG2-CD2 3.47Å; I245-L362 HydrophobicContact CG2-CG 3.67Å; L362-G384 CarbonylContact O-C 3.56Å; L362-G384 VanDerWaalsContact O-CA 3.26Å; L362-G384 WeakPolarHBondContact O-CA 3.1Å; L362-G384 PolarHBondContact O-N 2.84Å; L362-G385 PolarHBondContact O-N 3.22Å; L362-F402 HydrophobicContact CD2-CZ 3.96Å |
| 363 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 152.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S215 P216 I245 P361 Y365 G385 | S215-A363 VanDerWaalsContact CA-O 3.26Å; S215-A363 WeakPolarHBondContact CA-O 3.17Å; S215-A363 WeakPolarHBondContact CB-O 3.15Å; S215-A363 PolarHBondContact OG-N 2.75Å; S215-A363 PolarHBondContact OG-O 3.05Å; P216-A363 WeakPolarHBondContact CD-O 3.29Å; I245-A363 HydrophobicContact CB-CB 4.07Å; I245-A363 HydrophobicContact CG2-CB 3.95Å; P361-A363 WeakPolarHBondContact CB-O 3.45Å; P361-A363 WeakPolarHBondContact CG-O 3.29Å; A363-Y365 HydrophobicContact CB-CE1 4.36Å; A363-Y365 HydrophobicContact CB-CE2 3.96Å; A363-G385 CarbonylContact C-O 3.16Å; A363-G385 WeakPolarHBondContact CA-O 3.49Å |
| 364 | L | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 133.2 | 169.4 | -176.3 | 148.7 | 0 | 0 | 0 | 109.5 | P216 I355 M377 T381 G385 F386 L387 | P216-L364 HydrophobicContact CG-CB 4.34Å; P216-L364 HydrophobicContact CG-CD1 3.96Å; P216-L364 HydrophobicContact CG-CG 3.9Å; I355-L364 HydrophobicContact CD1-CD1 4.09Å; I355-L364 HydrophobicContact CG2-CD1 3.99Å; L364-M377 HydrophobicContact CD1-SD 4.4Å; L364-M377 HydrophobicContact CD2-CG 3.53Å; L364-M377 HydrophobicContact CD2-SD 4.27Å; L364-T381 HydrophobicContact CD1-CG2 4.26Å; L364-T381 WeakPolarHBondContact CD1-OG1 3.27Å; L364-G385 PolarHBondContact N-O 2.97Å; L364-F386 HydrophobicContact CB-CD2 4.49Å; L364-F386 HydrophobicContact CD2-CD2 3.48Å; L364-F386 VanDerWaalsContact CD2-CD2 3.48Å; L364-F386 HydrophobicContact CD2-CE2 3.49Å; L364-F386 VanDerWaalsContact CD2-CE2 3.49Å; L364-F386 HydrophobicContact CG-CD2 4.5Å; L364-L387 PolarHBondContact O-N 3.35Å |
| 365 | Y | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 134.5 | -178.8 | -56.1 | -66.2 | 0 | 0 | 0 | 111.3 | P216 C217 Y218 I245 P247 A363 L387 D390 C391 L392 | P216-Y365 PolarHBondContact O-N 2.81Å; C217-Y365 WeakPolarHBondContact CA-O 3.49Å; Y218-Y365 PolarHBondContact N-O 2.64Å; I245-Y365 VanDerWaalsContact O-CE2 3.31Å; I245-Y365 WeakPolarHBondContact O-CE2 3.43Å; I245-Y365 VanDerWaalsContact O-CZ 3.31Å; I245-Y365 PolarHBondContact O-OH 2.97Å; P247-Y365 HydrophobicContact CB-CD2 4.1Å; P247-Y365 HydrophobicContact CB-CE2 4.31Å; A363-Y365 HydrophobicContact CB-CE1 4.36Å; A363-Y365 HydrophobicContact CB-CE2 3.96Å; Y365-L387 WeakPolarHBondContact CA-O 3.47Å; Y365-L387 HydrophobicContact CD1-CB 3.92Å; Y365-L387 HydrophobicContact CD1-CD1 3.95Å; Y365-L387 HydrophobicContact CD1-CD2 4.48Å; Y365-L387 HydrophobicContact CD1-CG 4.33Å; Y365-L387 HydrophobicContact CE1-CB 4.13Å; Y365-L387 HydrophobicContact CE1-CD1 3.44Å; Y365-L387 VanDerWaalsContact CE1-CD1 3.44Å; Y365-L387 HydrophobicContact CE1-CD2 3.94Å; Y365-L387 HydrophobicContact CE1-CG 4.03Å; Y365-D390 WeakPolarHBondContact CD1-O 3.22Å; Y365-C391 HydrophobicContact CD1-CB 4.37Å; Y365-C391 HydrophobicContact CE1-CB 4.13Å; Y365-L392 PolarHBondContact OH-N 2.97Å; Y365-L392 VanDerWaalsContact OH-N 3.16Å |
| 366 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 130.3 | 172.4 | 59.6 | 0 | 0 | 0 | 0 | 110.4 | Y218 V373 I374 M377 F386 L387 A388 N389 | Y218-V366 HydrophobicContact CD1-CG2 4.1Å; Y218-V366 CarbonylContact O-C 3.47Å; V366-V373 HydrophobicContact CG2-CG1 4.32Å; V366-I374 HydrophobicContact CG1-CG1 4.26Å; V366-I374 HydrophobicContact CG1-CG2 4.29Å; V366-M377 HydrophobicContact CB-CB 4.48Å; V366-M377 HydrophobicContact CB-CG 4.2Å; V366-M377 HydrophobicContact CG2-CB 4.36Å; V366-M377 HydrophobicContact CG2-CG 4.46Å; V366-F386 HydrophobicContact CG1-CE1 4.21Å; V366-F386 HydrophobicContact CG1-CE2 3.88Å; V366-F386 HydrophobicContact CG1-CZ 3.41Å; V366-F386 VanDerWaalsContact CG1-CZ 3.41Å; V366-L387 PolarHBondContact N-O 3.03Å; V366-A388 HydrophobicContact CG1-CB 3.87Å; V366-A388 CarbonylContact O-C 3.35Å; V366-A388 VanDerWaalsContact O-CA 3.28Å; V366-A388 WeakPolarHBondContact O-CA 3.34Å; V366-N389 PolarHBondContact O-N 3.42Å |
| 367 | F | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 111.7 | 173.8 | -71.2 | -98.2 | 0 | 0 | 0 | 109.1 | C217 Y218 D220 A228 R231 I232 N389 | C217-F367 VanDerWaalsContact SG-CE2 3.51Å; Y218-F367 PolarHBondContact O-N 2.88Å; D220-F367 VanDerWaalsContact CB-O 3.26Å; D220-F367 WeakPolarHBondContact CB-O 3.31Å; D220-F367 PolarHBondContact N-O 3.45Å; A228-F367 HydrophobicContact CB-CB 4.01Å; A228-F367 HydrophobicContact CB-CD1 3.4Å; A228-F367 VanDerWaalsContact CB-CD1 3.4Å; A228-F367 HydrophobicContact CB-CE1 4.02Å; A228-F367 HydrophobicContact CB-CG 3.8Å; R231-F367 HydrophobicContact CB-CE1 4.13Å; R231-F367 HydrophobicContact CB-CZ 4.24Å; I232-F367 HydrophobicContact CD1-CD2 3.94Å; I232-F367 HydrophobicContact CD1-CE2 3.73Å; I232-F367 HydrophobicContact CD1-CZ 4.15Å; I232-F367 HydrophobicContact CG1-CD2 4.26Å; I232-F367 HydrophobicContact CG1-CE1 4.49Å; I232-F367 HydrophobicContact CG1-CE2 3.53Å; I232-F367 HydrophobicContact CG1-CZ 3.66Å; F367-N389 WeakPolarHBondContact CA-OD1 3.34Å; F367-N389 WeakPolarHBondContact CE1-O 3.28Å |
| 368 | S | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.007 | 24% | 0.236 | C | C | . | . | trans | -161.2 | 149.2 | 178.8 | -176.8 | 0 | 0 | 0 | 0 | 110.2 | D220 D370 N389 | D220-S368 PolarHBondContact OD2-OG 3.43Å; S368-D370 PolarHBondContact OG-N 3.31Å; S368-N389 PolarHBondContact N-OD1 3.41Å; S368-N389 PolarHBondContact O-ND2 3.03Å; S368-N389 PolarHBondContact O-OD1 3.09Å; S368-N389 VanDerWaalsContact O-OD1 3.1Å | ||
| 369 | A | 97.8 | Very high | 98.6 | Very high | 72 Ų | 72 | 49 Ų | 49 | 60% | 0.595 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -88.8 | -7.3 | 166 | 0 | 0 | 0 | 0 | 0 | 112.8 | N222 | N222-A369 WeakPolarHBondContact O-CB 3.45Å; N222-A369 PolarHBondContact O-N 2.93Å |
| 370 | D | 98.1 | Very high | 98.6 | Very high | 61 Ų | 61 | 46.9 Ų | 46.9 | 33% | 0.326 | 23% | 0.23 | S | C | . | . | trans | -93 | 110.8 | 178 | -173 | -9.8 | 0 | 0 | 0 | 110.9 | S368 K372 V373 I374 | S368-D370 PolarHBondContact OG-N 3.31Å; D370-K372 PolarHBondContact O-N 3.38Å; D370-K372 VanDerWaalsContact O-N 3.13Å; D370-K372 VanDerWaalsContact OD1-CB 3.27Å; D370-K372 WeakPolarHBondContact OD1-CB 3.38Å; D370-K372 PolarHBondContact OD1-N 3.44Å; D370-V373 HydrophobicContact CB-CB 4.21Å; D370-V373 HydrophobicContact CB-CG2 3.83Å; D370-V373 WeakPolarHBondContact O-CB 3.36Å; D370-V373 PolarHBondContact O-N 3.31Å; D370-I374 PolarHBondContact O-N 2.91Å; D370-I374 VanDerWaalsContact O-N 3.15Å | ||
| 371 | E | 98.1 | Very high | 98.6 | Very high | 129 Ų | 129 | 43.5 Ų | 43.5 | 60% | 0.603 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -58 | -25.4 | 176.8 | -69 | -60.8 | 156.3 | 0 | 0 | 113.5 | S375 | E371-S375 VanDerWaalsContact O-CB 3.26Å; E371-S375 WeakPolarHBondContact O-CB 3.4Å; E371-S375 PolarHBondContact O-N 2.88Å; E371-S375 PolarHBondContact O-OG 3.15Å |
| 372 | K | 98.3 | Very high | 98.7 | Very high | 158 Ų | 158 | 45.5 Ų | 45.5 | 69% | 0.687 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -71 | -39.2 | 174.6 | -62.8 | 178.3 | -179.1 | 174.5 | 0 | 111.1 | D370 R376 | D370-K372 PolarHBondContact O-N 3.38Å; D370-K372 VanDerWaalsContact O-N 3.13Å; D370-K372 VanDerWaalsContact OD1-CB 3.27Å; D370-K372 WeakPolarHBondContact OD1-CB 3.38Å; D370-K372 PolarHBondContact OD1-N 3.44Å; K372-R376 VanDerWaalsContact O-CB 3.3Å; K372-R376 WeakPolarHBondContact O-CB 3.34Å; K372-R376 VanDerWaalsContact O-CG 3.26Å; K372-R376 WeakPolarHBondContact O-CG 3.34Å; K372-R376 PolarHBondContact O-N 2.87Å |
| 373 | V | 98.7 | Very high | 98.7 | Very high | 15 Ų | 15 | 46.4 Ų | 46.4 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.4 | -46.4 | 175.4 | 172.3 | 0 | 0 | 0 | 0 | 109.8 | Y218 D220 L348 V366 D370 M377 | Y218-V373 HydrophobicContact CD1-CG1 4.49Å; Y218-V373 HydrophobicContact CE1-CG1 4.01Å; D220-V373 HydrophobicContact CB-CG1 4.43Å; L348-V373 HydrophobicContact CD1-CG1 4.11Å; L348-V373 HydrophobicContact CD2-CB 4.29Å; L348-V373 HydrophobicContact CD2-CG1 4.09Å; L348-V373 HydrophobicContact CD2-CG2 4.24Å; V366-V373 HydrophobicContact CG2-CG1 4.32Å; D370-V373 HydrophobicContact CB-CB 4.21Å; D370-V373 HydrophobicContact CB-CG2 3.83Å; D370-V373 WeakPolarHBondContact O-CB 3.36Å; D370-V373 PolarHBondContact O-N 3.31Å; V373-M377 WeakPolarHBondContact O-CB 3.26Å; V373-M377 PolarHBondContact O-N 2.92Å |
| 374 | I | 98.8 | Very high | 98.6 | Very high | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.062 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.3 | -50.6 | 177.4 | -63.8 | 170 | 0 | 0 | 0 | 110.8 | V366 D370 M377 R378 F386 A388 | V366-I374 HydrophobicContact CG1-CG1 4.26Å; V366-I374 HydrophobicContact CG1-CG2 4.29Å; D370-I374 PolarHBondContact O-N 2.91Å; D370-I374 VanDerWaalsContact O-N 3.15Å; I374-M377 PolarHBondContact O-N 2.96Å; I374-R378 WeakPolarHBondContact O-CB 3.34Å; I374-R378 PolarHBondContact O-N 3.29Å; I374-F386 HydrophobicContact CG2-CE1 4Å; I374-F386 HydrophobicContact CG2-CZ 3.96Å; I374-A388 HydrophobicContact CD1-CB 3.95Å; I374-A388 HydrophobicContact CG1-CB 4.15Å; I374-A388 HydrophobicContact CG2-CB 3.73Å |
| 375 | S | 98.7 | Very high | 98.6 | Very high | 34 Ų | 34 | 48.5 Ų | 48.5 | 24% | 0.238 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -44.2 | -177.9 | -62 | 0 | 0 | 0 | 0 | 111.9 | E371 R378 D379 | E371-S375 VanDerWaalsContact O-CB 3.26Å; E371-S375 WeakPolarHBondContact O-CB 3.4Å; E371-S375 PolarHBondContact O-N 2.88Å; E371-S375 PolarHBondContact O-OG 3.15Å; S375-R378 WeakPolarHBondContact O-CB 3.43Å; S375-R378 PolarHBondContact O-N 3.37Å; S375-D379 VanDerWaalsContact O-CB 3.32Å; S375-D379 WeakPolarHBondContact O-CB 3.5Å; S375-D379 PolarHBondContact O-N 2.91Å |
| 376 | R | 98.8 | Very high | 98.6 | Very high | 87 Ų | 87 | 51.4 Ų | 51.4 | 33% | 0.328 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 176.3 | -75.3 | -169.9 | 68.4 | -148.8 | -11.3 | 112.1 | L348 D349 K372 R378 D379 E380 | L348-R376 HydrophobicContact CD2-CB 3.98Å; D349-R376 IonicContact OD1-CZ 2.63Å; D349-R376 VanDerWaalsContact OD1-CZ 3.26Å; D349-R376 IonicContact OD1-NH1 3.02Å; D349-R376 PolarHBondContact OD1-NH1 3.41Å; D349-R376 IonicContact OD1-NH2 3.93Å; D349-R376 PolarHBondContact OD1-NH2 3.49Å; K372-R376 VanDerWaalsContact O-CB 3.3Å; K372-R376 WeakPolarHBondContact O-CB 3.34Å; K372-R376 VanDerWaalsContact O-CG 3.26Å; K372-R376 WeakPolarHBondContact O-CG 3.34Å; K372-R376 PolarHBondContact O-N 2.87Å; R376-R378 VanDerWaalsContact C-N 3.3Å; R376-R378 PolarHBondContact O-N 3.29Å; R376-D379 PolarHBondContact O-N 3.02Å; R376-E380 IonicContact CZ-OE1 3.26Å; R376-E380 IonicContact CZ-OE2 3.39Å; R376-E380 IonicContact NE-OE1 3.49Å; R376-E380 PolarHBondContact NE-OE1 3.35Å; R376-E380 IonicContact NE-OE2 3.24Å; R376-E380 IonicContact NH2-OE1 2.76Å; R376-E380 PolarHBondContact NH2-OE1 3.41Å; R376-E380 VanDerWaalsContact NH2-OE1 3.16Å; R376-E380 IonicContact NH2-OE2 3.16Å; R376-E380 PolarHBondContact NH2-OE2 2.99Å; R376-E380 VanDerWaalsContact O-CB 3.24Å; R376-E380 WeakPolarHBondContact O-CB 3.47Å; R376-E380 WeakPolarHBondContact O-CG 3.4Å; R376-E380 PolarHBondContact O-N 3.35Å |
| 377 | M | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.8 | -43.3 | 176.1 | -173.4 | 66 | 79.7 | 0 | 0 | 111.3 | Y218 L348 A351 I352 I355 L364 V366 V373 I374 T381 F386 | Y218-M377 HydrophobicContact CD1-CE 3.82Å; Y218-M377 HydrophobicContact CD2-CE 4.37Å; Y218-M377 HydrophobicContact CG-CE 3.65Å; L348-M377 HydrophobicContact CD1-CB 4.46Å; L348-M377 HydrophobicContact CD1-CE 3.56Å; A351-M377 HydrophobicContact CB-CE 4.3Å; I352-M377 HydrophobicContact CG1-CE 4.31Å; I352-M377 HydrophobicContact CG1-SD 3.84Å; I355-M377 HydrophobicContact CD1-CE 4.2Å; I355-M377 HydrophobicContact CD1-SD 3.8Å; L364-M377 HydrophobicContact CD1-SD 4.4Å; L364-M377 HydrophobicContact CD2-CG 3.53Å; L364-M377 HydrophobicContact CD2-SD 4.27Å; V366-M377 HydrophobicContact CB-CB 4.48Å; V366-M377 HydrophobicContact CB-CG 4.2Å; V366-M377 HydrophobicContact CG2-CB 4.36Å; V366-M377 HydrophobicContact CG2-CG 4.46Å; V373-M377 WeakPolarHBondContact O-CB 3.26Å; V373-M377 PolarHBondContact O-N 2.92Å; I374-M377 PolarHBondContact O-N 2.96Å; M377-T381 WeakPolarHBondContact O-CB 3.46Å; M377-T381 WeakPolarHBondContact O-CG2 3.29Å; M377-T381 PolarHBondContact O-N 3.2Å; M377-T381 PolarHBondContact O-OG1 2.92Å; M377-T381 HydrophobicContact SD-CG2 3.89Å; M377-F386 HydrophobicContact CB-CE2 4.26Å; M377-F386 HydrophobicContact CG-CE2 4.04Å |
| 378 | R | 98.7 | Very high | 98.6 | Very high | 121 Ų | 121 | 53.8 Ų | 53.8 | 46% | 0.457 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.4 | -47.3 | 176.9 | -175.9 | -167.6 | 65.1 | -143.3 | -11.5 | 112.5 | I374 S375 R376 F386 | I374-R378 WeakPolarHBondContact O-CB 3.34Å; I374-R378 PolarHBondContact O-N 3.29Å; S375-R378 WeakPolarHBondContact O-CB 3.43Å; S375-R378 PolarHBondContact O-N 3.37Å; R376-R378 VanDerWaalsContact C-N 3.3Å; R376-R378 PolarHBondContact O-N 3.29Å; R378-F386 HydrophobicContact CB-CD1 4.35Å; R378-F386 HydrophobicContact CB-CD2 4.2Å; R378-F386 HydrophobicContact CB-CE1 3.96Å; R378-F386 HydrophobicContact CB-CE2 3.78Å; R378-F386 HydrophobicContact CB-CG 4.46Å; R378-F386 HydrophobicContact CB-CZ 3.64Å; R378-F386 HydrophobicContact CG-CD1 4.23Å; R378-F386 HydrophobicContact CG-CD2 4.45Å; R378-F386 HydrophobicContact CG-CE1 4.27Å; R378-F386 HydrophobicContact CG-CE2 4.49Å; R378-F386 HydrophobicContact CG-CG 4.31Å; R378-F386 HydrophobicContact CG-CZ 4.39Å |
| 379 | D | 98.8 | Very high | 98.6 | Very high | 109 Ų | 109 | 56.2 Ų | 56.2 | 58% | 0.583 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -82.9 | -24.1 | -168.5 | -62.3 | -19 | 0 | 0 | 0 | 112.6 | S375 R376 | S375-D379 VanDerWaalsContact O-CB 3.32Å; S375-D379 WeakPolarHBondContact O-CB 3.5Å; S375-D379 PolarHBondContact O-N 2.91Å; R376-D379 PolarHBondContact O-N 3.02Å |
| 380 | E | 98.9 | Very high | 98.6 | Very high | 82 Ų | 82 | 54.4 Ų | 54.4 | 38% | 0.383 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -102.1 | 2.6 | -177.6 | -60.4 | 175.5 | -144.8 | 0 | 0 | 113.4 | I352 N356 R376 | I352-E380 HydrophobicContact CD1-CB 4.17Å; I352-E380 HydrophobicContact CG2-CB 3.86Å; N356-E380 PolarHBondContact ND2-O 3.03Å; R376-E380 IonicContact CZ-OE1 3.26Å; R376-E380 IonicContact CZ-OE2 3.39Å; R376-E380 IonicContact NE-OE1 3.49Å; R376-E380 PolarHBondContact NE-OE1 3.35Å; R376-E380 IonicContact NE-OE2 3.24Å; R376-E380 IonicContact NH2-OE1 2.76Å; R376-E380 PolarHBondContact NH2-OE1 3.41Å; R376-E380 VanDerWaalsContact NH2-OE1 3.16Å; R376-E380 IonicContact NH2-OE2 3.16Å; R376-E380 PolarHBondContact NH2-OE2 2.99Å; R376-E380 VanDerWaalsContact O-CB 3.24Å; R376-E380 WeakPolarHBondContact O-CB 3.47Å; R376-E380 WeakPolarHBondContact O-CG 3.4Å; R376-E380 PolarHBondContact O-N 3.35Å |
| 381 | T | 98.9 | Very high | 98.6 | Very high | 20 Ų | 20 | 51.5 Ų | 51.5 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | trans | -128.1 | 176.6 | 176.3 | 70.2 | 0 | 0 | 0 | 0 | 112.4 | I352 I355 L364 M377 | I352-T381 HydrophobicContact CG1-CG2 4.3Å; I352-T381 HydrophobicContact CG2-CG2 4.14Å; I355-T381 HydrophobicContact CB-CG2 4.5Å; I355-T381 HydrophobicContact CG2-CG2 4.11Å; L364-T381 HydrophobicContact CD1-CG2 4.26Å; L364-T381 WeakPolarHBondContact CD1-OG1 3.27Å; M377-T381 WeakPolarHBondContact O-CB 3.46Å; M377-T381 WeakPolarHBondContact O-CG2 3.29Å; M377-T381 PolarHBondContact O-N 3.2Å; M377-T381 PolarHBondContact O-OG1 2.92Å; M377-T381 HydrophobicContact SD-CG2 3.89Å | ||
| 382 | S | 98.8 | Very high | 98.6 | Very high | 45 Ų | 45 | 46.1 Ų | 46.1 | 32% | 0.315 | 24% | 0.243 | S | C | . | . | trans | -143.6 | 124.7 | 177.2 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | K360 | K360-S382 WeakPolarHBondContact CD-OG 3.49Å; K360-S382 WeakPolarHBondContact CE-OG 3.34Å; K360-S382 PolarHBondContact NZ-OG 2.94Å | ||
| 383 | S | 98.9 | Very high | 98.5 | Very high | 24 Ų | 24 | 41.2 Ų | 41.2 | 17% | 0.168 | 23% | 0.226 | C | C | . | . | trans | -144 | 170.3 | 177.7 | 58.8 | 0 | 0 | 0 | 0 | 110.3 | P361 G385 V405 | P361-S383 WeakPolarHBondContact O-CA 3.44Å; S383-G385 WeakPolarHBondContact CB-O 3.37Å; S383-G385 PolarHBondContact OG-O 3.12Å; S383-V405 VanDerWaalsContact C-CG1 3.46Å | ||
| 384 | G | 98.6 | Very high | 98.5 | Very high | 31 Ų | 31 | 41.7 Ų | 41.7 | 32% | 0.32 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -65.7 | -56.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | P361 L362 G403 | P361-G384 PolarHBondContact O-N 2.96Å; P361-G384 VanDerWaalsContact O-N 3.07Å; L362-G384 CarbonylContact O-C 3.56Å; L362-G384 VanDerWaalsContact O-CA 3.26Å; L362-G384 WeakPolarHBondContact O-CA 3.1Å; L362-G384 PolarHBondContact O-N 2.84Å; G384-G403 CarbonylContact C-O 3.47Å; G384-G403 WeakPolarHBondContact CA-O 3.41Å |
| 385 | G | 98.4 | Very high | 98.3 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 14% | 0.144 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 152 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L362 A363 L364 S383 | L362-G385 PolarHBondContact O-N 3.22Å; A363-G385 CarbonylContact C-O 3.16Å; A363-G385 WeakPolarHBondContact CA-O 3.49Å; L364-G385 PolarHBondContact N-O 2.97Å; S383-G385 WeakPolarHBondContact CB-O 3.37Å; S383-G385 PolarHBondContact OG-O 3.12Å |
| 386 | F | 98.6 | Very high | 98.1 | Very high | 62 Ų | 62 | 46.9 Ų | 46.9 | 27% | 0.272 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.5 | 174.1 | 175.4 | -88.9 | 0 | 0 | 0 | 109.2 | L364 V366 I374 M377 R378 A388 | L364-F386 HydrophobicContact CB-CD2 4.49Å; L364-F386 HydrophobicContact CD2-CD2 3.48Å; L364-F386 VanDerWaalsContact CD2-CD2 3.48Å; L364-F386 HydrophobicContact CD2-CE2 3.49Å; L364-F386 VanDerWaalsContact CD2-CE2 3.49Å; L364-F386 HydrophobicContact CG-CD2 4.5Å; V366-F386 HydrophobicContact CG1-CE1 4.21Å; V366-F386 HydrophobicContact CG1-CE2 3.88Å; V366-F386 HydrophobicContact CG1-CZ 3.41Å; V366-F386 VanDerWaalsContact CG1-CZ 3.41Å; I374-F386 HydrophobicContact CG2-CE1 4Å; I374-F386 HydrophobicContact CG2-CZ 3.96Å; M377-F386 HydrophobicContact CB-CE2 4.26Å; M377-F386 HydrophobicContact CG-CE2 4.04Å; R378-F386 HydrophobicContact CB-CD1 4.35Å; R378-F386 HydrophobicContact CB-CD2 4.2Å; R378-F386 HydrophobicContact CB-CE1 3.96Å; R378-F386 HydrophobicContact CB-CE2 3.78Å; R378-F386 HydrophobicContact CB-CG 4.46Å; R378-F386 HydrophobicContact CB-CZ 3.64Å; R378-F386 HydrophobicContact CG-CD1 4.23Å; R378-F386 HydrophobicContact CG-CD2 4.45Å; R378-F386 HydrophobicContact CG-CE1 4.27Å; R378-F386 HydrophobicContact CG-CE2 4.49Å; R378-F386 HydrophobicContact CG-CG 4.31Å; R378-F386 HydrophobicContact CG-CZ 4.39Å; F386-A388 HydrophobicContact CE1-CB 4.38Å |
| 387 | L | 98 | Very high | 98 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 7% | 0.068 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 137.7 | 174.5 | -54.8 | 77 | 0 | 0 | 0 | 110.5 | L364 Y365 V366 V393 H394 | L364-L387 PolarHBondContact O-N 3.35Å; Y365-L387 WeakPolarHBondContact CA-O 3.47Å; Y365-L387 HydrophobicContact CD1-CB 3.92Å; Y365-L387 HydrophobicContact CD1-CD1 3.95Å; Y365-L387 HydrophobicContact CD1-CD2 4.48Å; Y365-L387 HydrophobicContact CD1-CG 4.33Å; Y365-L387 HydrophobicContact CE1-CB 4.13Å; Y365-L387 HydrophobicContact CE1-CD1 3.44Å; Y365-L387 VanDerWaalsContact CE1-CD1 3.44Å; Y365-L387 HydrophobicContact CE1-CD2 3.94Å; Y365-L387 HydrophobicContact CE1-CG 4.03Å; V366-L387 PolarHBondContact N-O 3.03Å; L387-V393 HydrophobicContact CD2-CG2 3.95Å; L387-H394 HydrophobicContact CD1-CB 3.95Å; L387-H394 WeakPolarHBondContact CD1-ND1 3.3Å; L387-H394 HydrophobicContact CD2-CB 3.67Å; L387-H394 HydrophobicContact CG-CB 3.74Å |
| 388 | A | 98.5 | Very high | 97.9 | Very high | 39 Ų | 39 | 47.1 Ų | 47.1 | 32% | 0.322 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 135.9 | 168 | 0 | 0 | 0 | 0 | 0 | 110.1 | V366 I374 F386 D390 | V366-A388 HydrophobicContact CG1-CB 3.87Å; V366-A388 CarbonylContact O-C 3.35Å; V366-A388 VanDerWaalsContact O-CA 3.28Å; V366-A388 WeakPolarHBondContact O-CA 3.34Å; I374-A388 HydrophobicContact CD1-CB 3.95Å; I374-A388 HydrophobicContact CG1-CB 4.15Å; I374-A388 HydrophobicContact CG2-CB 3.73Å; F386-A388 HydrophobicContact CE1-CB 4.38Å; A388-D390 PolarHBondContact O-N 3.48Å; A388-D390 VanDerWaalsContact O-N 3.16Å |
| 389 | N | 98.6 | Very high | 97.8 | Very high | 52 Ų | 52 | 45.9 Ų | 45.9 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 63.4 | 13.2 | 171.3 | -62.1 | -45.9 | 0 | 0 | 0 | 116.1 | R231 V366 F367 S368 | R231-N389 WeakPolarHBondContact CD-O 3.26Å; R231-N389 PolarHBondContact NH1-O 2.74Å; V366-N389 PolarHBondContact O-N 3.42Å; F367-N389 WeakPolarHBondContact CA-OD1 3.34Å; F367-N389 WeakPolarHBondContact CE1-O 3.28Å; S368-N389 PolarHBondContact N-OD1 3.41Å; S368-N389 PolarHBondContact O-ND2 3.03Å; S368-N389 PolarHBondContact O-OD1 3.09Å; S368-N389 VanDerWaalsContact O-OD1 3.1Å |
| 390 | D | 98.6 | Very high | 97.7 | Very high | 35 Ų | 35 | 44.7 Ų | 44.7 | 19% | 0.187 | 27% | 0.272 | C | S | . | . | trans | -153.9 | 170.5 | 170.9 | -144.5 | -26.9 | 0 | 0 | 0 | 111.3 | R231 Y365 A388 V393 | R231-D390 WeakPolarHBondContact CD-OD1 3.07Å; R231-D390 IonicContact CZ-OD2 3.79Å; R231-D390 IonicContact NE-OD1 2.57Å; R231-D390 IonicContact NE-OD2 2.93Å; Y365-D390 WeakPolarHBondContact CD1-O 3.22Å; A388-D390 PolarHBondContact O-N 3.48Å; A388-D390 VanDerWaalsContact O-N 3.16Å; D390-V393 HydrophobicContact CB-CG2 3.85Å | ||
| 391 | C | 97.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -120.2 | 154.2 | 176 | -65.4 | 0 | 0 | 0 | 0 | 110.9 | W234 Y365 V393 | W234-C391 VanDerWaalsContact CZ3-O 3.3Å; W234-C391 WeakPolarHBondContact CZ3-O 3.39Å; Y365-C391 HydrophobicContact CD1-CB 4.37Å; Y365-C391 HydrophobicContact CE1-CB 4.13Å; C391-V393 PolarHBondContact O-N 3.12Å |
| 392 | L | 97.8 | Very high | 97.7 | Very high | 15 Ų | 15 | 44 Ų | 44 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 64.5 | -41 | 174.4 | -50.2 | -176.7 | 0 | 0 | 0 | 117.3 | W234 T243 I245 Y365 H394 F395 | W234-L392 HydrophobicContact CH2-CB 4.04Å; W234-L392 HydrophobicContact CH2-CD1 4.02Å; W234-L392 HydrophobicContact CH2-CG 4.47Å; W234-L392 HydrophobicContact CZ2-CD1 4.32Å; W234-L392 HydrophobicContact CZ3-CB 4.08Å; W234-L392 HydrophobicContact CZ3-CD1 4.13Å; W234-L392 HydrophobicContact CZ3-CG 4.31Å; T243-L392 HydrophobicContact CG2-CD2 4.21Å; I245-L392 HydrophobicContact CB-CD2 4.27Å; I245-L392 HydrophobicContact CD1-CB 4.38Å; I245-L392 HydrophobicContact CD1-CD2 3.82Å; I245-L392 HydrophobicContact CG1-CD2 3.6Å; I245-L392 WeakPolarHBondContact O-CD2 3.41Å; Y365-L392 PolarHBondContact OH-N 2.97Å; Y365-L392 VanDerWaalsContact OH-N 3.16Å; L392-H394 VanDerWaalsContact C-N 3.26Å; L392-H394 PolarHBondContact O-N 3.42Å; L392-H394 PolarHBondContact O-ND1 2.8Å; L392-F395 VanDerWaalsContact O-CB 3.29Å; L392-F395 WeakPolarHBondContact O-CB 3.38Å; L392-F395 PolarHBondContact O-N 3.46Å |
| 393 | V | 97.5 | Very high | 97.7 | Very high | 56 Ų | 56 | 42.3 Ų | 42.3 | 34% | 0.339 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -61.7 | -20.4 | -161.3 | -64.8 | 0 | 0 | 0 | 0 | 116 | W234 L387 D390 C391 F395 S396 | W234-V393 HydrophobicContact CH2-CG1 4.03Å; W234-V393 HydrophobicContact CZ3-CG1 4.06Å; L387-V393 HydrophobicContact CD2-CG2 3.95Å; D390-V393 HydrophobicContact CB-CG2 3.85Å; C391-V393 PolarHBondContact O-N 3.12Å; V393-F395 PolarHBondContact O-N 3.37Å; V393-F395 VanDerWaalsContact O-N 3.13Å; V393-S396 PolarHBondContact O-N 3.46Å; V393-S396 PolarHBondContact O-OG 3.06Å |
| 394 | H | 97.6 | Very high | 97.7 | Very high | 24 Ų | 24 | 41.8 Ų | 41.8 | 11% | 0.111 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -55.9 | -27.4 | 170.1 | 69.4 | -45.7 | 0 | 0 | 0 | 113.5 | L387 L392 S396 V397 L400 | L387-H394 HydrophobicContact CD1-CB 3.95Å; L387-H394 WeakPolarHBondContact CD1-ND1 3.3Å; L387-H394 HydrophobicContact CD2-CB 3.67Å; L387-H394 HydrophobicContact CG-CB 3.74Å; L392-H394 VanDerWaalsContact C-N 3.26Å; L392-H394 PolarHBondContact O-N 3.42Å; L392-H394 PolarHBondContact O-ND1 2.8Å; H394-S396 PolarHBondContact O-N 3.19Å; H394-V397 PolarHBondContact O-N 3.21Å; H394-L400 HydrophobicContact CB-CD1 4.28Å |
| 395 | F | 95.9 | Very high | 97.7 | Very high | 65 Ų | 65 | 42.5 Ų | 42.5 | 29% | 0.285 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -62.7 | -25.6 | 175.9 | -177.8 | -90.5 | 0 | 0 | 0 | 112.9 | I245 L392 V393 V397 F402 H414 | I245-F395 HydrophobicContact CD1-CB 3.99Å; I245-F395 HydrophobicContact CD1-CD2 4.45Å; I245-F395 HydrophobicContact CD1-CG 4.44Å; L392-F395 VanDerWaalsContact O-CB 3.29Å; L392-F395 WeakPolarHBondContact O-CB 3.38Å; L392-F395 PolarHBondContact O-N 3.46Å; V393-F395 PolarHBondContact O-N 3.37Å; V393-F395 VanDerWaalsContact O-N 3.13Å; F395-V397 VanDerWaalsContact C-N 3.3Å; F395-F402 HydrophobicContact CD2-CD1 4.47Å; F395-F402 AromaticContact CD2-CD2 3.69Å; F395-F402 HydrophobicContact CD2-CD2 3.69Å; F395-F402 HydrophobicContact CD2-CE1 4.34Å; F395-F402 AromaticContact CD2-CE2 3.56Å; F395-F402 HydrophobicContact CD2-CE2 3.56Å; F395-F402 HydrophobicContact CD2-CG 4.13Å; F395-F402 AromaticContact CD2-CZ 3.87Å; F395-F402 HydrophobicContact CD2-CZ 3.87Å; F395-F402 HydrophobicContact CE2-CD1 4.42Å; F395-F402 HydrophobicContact CE2-CD2 4.4Å; F395-F402 HydrophobicContact CE2-CE1 4.23Å; F395-F402 HydrophobicContact CE2-CE2 4.25Å; F395-F402 HydrophobicContact CE2-CG 4.46Å; F395-F402 HydrophobicContact CE2-CZ 4.12Å; F395-H414 AromaticContact CD2-CE1 3.5Å; F395-H414 VanDerWaalsContact CD2-CE1 3.5Å; F395-H414 WeakPolarHBondContact CD2-CE1 3.38Å; F395-H414 AromaticContact CD2-NE2 3.91Å; F395-H414 AromaticContact CE2-CE1 3.34Å; F395-H414 WeakPolarHBondContact CE2-CE1 3.48Å; F395-H414 AromaticContact CE2-NE2 3.4Å; F395-H414 WeakPolarHBondContact CE2-NE2 3.35Å; F395-H414 AromaticContact CG-CE1 3.95Å; F395-H414 AromaticContact CZ-CE1 3.66Å; F395-H414 AromaticContact CZ-NE2 3.83Å; F395-H414 PolarHBondContact O-CE1 3.36Å; F395-H414 VanDerWaalsContact O-CE1 3.3Å; F395-H414 PolarHBondContact O-ND1 3.4Å |
| 396 | S | 94.3 | Very high | 97.7 | Very high | 91 Ų | 91 | 44.2 Ų | 44.2 | 64% | 0.636 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -84.8 | -3.7 | -178.6 | 72.3 | 0 | 0 | 0 | 0 | 113.7 | V393 H394 S398 | V393-S396 PolarHBondContact O-N 3.46Å; V393-S396 PolarHBondContact O-OG 3.06Å; H394-S396 PolarHBondContact O-N 3.19Å; S396-S398 PolarHBondContact O-N 2.91Å |
| 397 | V | 96.8 | Very high | 97.7 | Very high | 56 Ų | 56 | 44.9 Ų | 44.9 | 34% | 0.339 | 28% | 0.283 | S | S | . | . | trans | -97 | 91.7 | -176.5 | -173.8 | 0 | 0 | 0 | 0 | 109.5 | H394 F395 S399 L400 | H394-V397 PolarHBondContact O-N 3.21Å; F395-V397 VanDerWaalsContact C-N 3.3Å; V397-S399 WeakPolarHBondContact CG1-OG 3.32Å; V397-S399 PolarHBondContact O-N 3.46Å; V397-L400 HydrophobicContact CB-CB 4.45Å; V397-L400 HydrophobicContact CB-CD1 3.92Å; V397-L400 HydrophobicContact CB-CG 4.03Å; V397-L400 HydrophobicContact CG1-CB 4.49Å; V397-L400 HydrophobicContact CG1-CD1 4.1Å; V397-L400 HydrophobicContact CG1-CG 3.81Å; V397-L400 HydrophobicContact CG2-CD1 4.38Å; V397-L400 PolarHBondContact O-N 2.96Å | ||
| 398 | S | 95.6 | Very high | 97.7 | Very high | 36 Ų | 36 | 44.3 Ų | 44.3 | 25% | 0.252 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -11.8 | -178.9 | -48.3 | 0 | 0 | 0 | 0 | 115.8 | E70 S396 | E70-S398 WeakPolarHBondContact OE1-CB 3.26Å; E70-S398 PolarHBondContact OE1-OG 3.38Å; S396-S398 PolarHBondContact O-N 2.91Å |
| 399 | S | 96.8 | Very high | 97.7 | Very high | 95 Ų | 95 | 42.6 Ų | 42.6 | 66% | 0.664 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -1.9 | 174.2 | 58.7 | 0 | 0 | 0 | 0 | 113.9 | V397 F417 | V397-S399 WeakPolarHBondContact CG1-OG 3.32Å; V397-S399 PolarHBondContact O-N 3.46Å; S399-F417 WeakPolarHBondContact O-CE2 3.47Å |
| 400 | L | 98 | Very high | 97.7 | Very high | 83 Ų | 83 | 43.8 Ų | 43.8 | 44% | 0.435 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -97.6 | 139.3 | 167.1 | -65.7 | 178.4 | 0 | 0 | 0 | 109.4 | H394 V397 | H394-L400 HydrophobicContact CB-CD1 4.28Å; V397-L400 HydrophobicContact CB-CB 4.45Å; V397-L400 HydrophobicContact CB-CD1 3.92Å; V397-L400 HydrophobicContact CB-CG 4.03Å; V397-L400 HydrophobicContact CG1-CB 4.49Å; V397-L400 HydrophobicContact CG1-CD1 4.1Å; V397-L400 HydrophobicContact CG1-CG 3.81Å; V397-L400 HydrophobicContact CG2-CD1 4.38Å; V397-L400 PolarHBondContact O-N 2.96Å |
| 401 | P | 98.1 | Very high | 97.7 | Very high | 66 Ų | 66 | 43.5 Ų | 43.5 | 43% | 0.429 | 28% | 0.277 | S | S | . | . | trans | -69.4 | 131.7 | 166.7 | 29.2 | -30.5 | 0 | 0 | 0 | 108.6 | C412 F417 | P401-C412 HydrophobicContact CB-CB 3.86Å; P401-F417 HydrophobicContact CB-CD1 3.82Å; P401-F417 HydrophobicContact CB-CD2 4.04Å; P401-F417 HydrophobicContact CB-CE1 3.95Å; P401-F417 HydrophobicContact CB-CE2 4.17Å; P401-F417 HydrophobicContact CB-CG 3.87Å; P401-F417 HydrophobicContact CB-CZ 4.13Å; P401-F417 HydrophobicContact CG-CE1 4.18Å; P401-F417 HydrophobicContact CG-CE2 4.47Å; P401-F417 HydrophobicContact CG-CZ 4.15Å | ||
| 402 | F | 98.8 | Very high | 97.7 | Very high | 22 Ų | 22 | 45 Ų | 45 | 10% | 0.096 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -104.7 | 124 | 169.4 | 179 | -88.1 | 0 | 0 | 0 | 108.8 | E210 I245 L362 F395 C412 Y413 H414 | E210-F402 WeakPolarHBondContact OE2-CE1 3.36Å; I245-F402 HydrophobicContact CD1-CE2 4.42Å; I245-F402 HydrophobicContact CG2-CE2 3.93Å; I245-F402 HydrophobicContact CG2-CZ 4.15Å; L362-F402 HydrophobicContact CD2-CZ 3.96Å; F395-F402 HydrophobicContact CD2-CD1 4.47Å; F395-F402 AromaticContact CD2-CD2 3.69Å; F395-F402 HydrophobicContact CD2-CD2 3.69Å; F395-F402 HydrophobicContact CD2-CE1 4.34Å; F395-F402 AromaticContact CD2-CE2 3.56Å; F395-F402 HydrophobicContact CD2-CE2 3.56Å; F395-F402 HydrophobicContact CD2-CG 4.13Å; F395-F402 AromaticContact CD2-CZ 3.87Å; F395-F402 HydrophobicContact CD2-CZ 3.87Å; F395-F402 HydrophobicContact CE2-CD1 4.42Å; F395-F402 HydrophobicContact CE2-CD2 4.4Å; F395-F402 HydrophobicContact CE2-CE1 4.23Å; F395-F402 HydrophobicContact CE2-CE2 4.25Å; F395-F402 HydrophobicContact CE2-CG 4.46Å; F395-F402 HydrophobicContact CE2-CZ 4.12Å; F402-C412 CarbonylContact O-C 3.57Å; F402-C412 WeakPolarHBondContact O-CA 3.33Å; F402-C412 WeakPolarHBondContact O-CB 3.17Å; F402-Y413 AromaticContact CD1-CD1 3.98Å; F402-Y413 HydrophobicContact CD1-CD1 3.98Å; F402-Y413 AromaticContact CD1-CE1 3.33Å; F402-Y413 HydrophobicContact CD1-CE1 3.33Å; F402-Y413 AromaticContact CE1-CE1 3.85Å; F402-Y413 HydrophobicContact CE1-CE1 3.85Å; F402-Y413 HydrophobicContact CG-CE1 4.38Å; F402-Y413 PolarHBondContact N-O 2.89Å; F402-Y413 PolarHBondContact O-N 2.69Å; F402-H414 AromaticContact CD1-NE2 3.81Å; F402-H414 AromaticContact CG-NE2 3.72Å |
| 403 | G | 98.5 | Very high | 97.8 | Very high | 10 Ų | 10 | 44.4 Ų | 44.4 | 10% | 0.103 | 28% | 0.284 | C | S | . | . | trans | 179.5 | 159 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | E210 G384 | E210-G403 WeakPolarHBondContact OE1-CA 3.36Å; E210-G403 WeakPolarHBondContact OE2-CA 3.48Å; G384-G403 CarbonylContact C-O 3.47Å; G384-G403 WeakPolarHBondContact CA-O 3.41Å | ||
| 404 | G | 98.6 | Very high | 97.8 | Very high | 12 Ų | 12 | 41.9 Ų | 41.9 | 12% | 0.124 | 27% | 0.268 | C | S | . | . | trans | -87.8 | 177.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G409 | G404-G409 CarbonylContact C-O 3.51Š| ||
| 405 | V | 98.8 | Very high | 97.9 | Very high | 47 Ų | 47 | 40.9 Ų | 40.9 | 29% | 0.285 | 26% | 0.264 | S | S | . | . | trans | -143.3 | 130.8 | 173.2 | 59 | 0 | 0 | 0 | 0 | 110.2 | K360 S383 N407 S408 G409 | K360-V405 HydrophobicContact CB-CG1 4.13Å; K360-V405 WeakPolarHBondContact CB-O 3.42Å; K360-V405 HydrophobicContact CD-CG1 3.95Å; K360-V405 HydrophobicContact CD-CG2 4.11Å; S383-V405 VanDerWaalsContact C-CG1 3.46Å; V405-N407 PolarHBondContact O-N 3.2Å; V405-S408 PolarHBondContact N-OG 3.33Å; V405-S408 PolarHBondContact O-OG 2.99Å; V405-G409 CarbonylContact C-O 3.57Å; V405-G409 VanDerWaalsContact CA-O 3.32Å; V405-G409 WeakPolarHBondContact CA-O 3.13Å; V405-G409 PolarHBondContact N-O 2.94Å | ||
| 406 | G | 98.4 | Very high | 98 | Very high | 49 Ų | 49 | 41.1 Ų | 41.1 | 51% | 0.505 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | 68.6 | -127.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | S408 G409 | G406-S408 PolarHBondContact O-N 3.45Å; G406-G409 PolarHBondContact N-O 3.27Å; G406-G409 PolarHBondContact O-N 3.17Å; G406-G409 VanDerWaalsContact O-N 3.09Å |
| 407 | N | 98.2 | Very high | 98.2 | Very high | 77 Ų | 77 | 39.9 Ų | 39.9 | 41% | 0.412 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -19.4 | -176.8 | -75.4 | 24.2 | 0 | 0 | 0 | 114 | E359 V405 G409 | E359-N407 HydrophobicContact CB-CB 4.11Å; E359-N407 VanDerWaalsContact CD-CG 3.42Å; E359-N407 HydrophobicContact CG-CB 4.24Å; E359-N407 WeakPolarHBondContact CG-ND2 3.33Å; E359-N407 PolarHBondContact OE1-ND2 2.86Å; E359-N407 VanDerWaalsContact OE1-ND2 3.08Å; E359-N407 PolarHBondContact OE2-ND2 3.16Å; E359-N407 PolarHBondContact OE2-OD1 2.58Å; V405-N407 PolarHBondContact O-N 3.2Å; N407-G409 VanDerWaalsContact C-N 3.31Å |
| 408 | S | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -8.9 | 172.6 | 61.6 | 0 | 0 | 0 | 0 | 113.8 | L211 G212 K360 P361 V405 G406 | L211-S408 CarbonylContact C-O 3.48Å; L211-S408 WeakPolarHBondContact CA-O 3.35Å; L211-S408 WeakPolarHBondContact CB-O 3.36Å; L211-S408 PolarHBondContact N-O 2.77Å; G212-S408 WeakPolarHBondContact O-CA 3.47Å; G212-S408 WeakPolarHBondContact O-CB 3.24Å; K360-S408 VanDerWaalsContact O-CB 3.31Å; K360-S408 WeakPolarHBondContact O-CB 3.49Å; K360-S408 PolarHBondContact O-OG 3.38Å; P361-S408 PolarHBondContact O-OG 3.36Å; V405-S408 PolarHBondContact N-OG 3.33Å; V405-S408 PolarHBondContact O-OG 2.99Å; G406-S408 PolarHBondContact O-N 3.45Å |
| 409 | G | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 144.2 | -176.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | L209 G404 V405 G406 N407 | L209-G409 CarbonylContact O-C 3.52Å; L209-G409 WeakPolarHBondContact O-CA 3.46Å; G404-G409 CarbonylContact C-O 3.51Å; V405-G409 CarbonylContact C-O 3.57Å; V405-G409 VanDerWaalsContact CA-O 3.32Å; V405-G409 WeakPolarHBondContact CA-O 3.13Å; V405-G409 PolarHBondContact N-O 2.94Å; G406-G409 PolarHBondContact N-O 3.27Å; G406-G409 PolarHBondContact O-N 3.17Å; G406-G409 VanDerWaalsContact O-N 3.09Å; N407-G409 VanDerWaalsContact C-N 3.31Å |
| 410 | M | 98.9 | Very high | 98.6 | Very high | 77 Ų | 77 | 33 Ų | 33 | 38% | 0.379 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 150.2 | 170.9 | 67.4 | 174.3 | 70.1 | 0 | 0 | 111 | M197 V207 T208 L209 | M197-M410 HydrophobicContact CE-CE 3.83Å; M197-M410 HydrophobicContact CE-SD 4.24Å; M197-M410 HydrophobicContact SD-CE 3.78Å; M197-M410 HydrophobicContact SD-SD 4.48Å; V207-M410 HydrophobicContact CG2-CG 4.42Å; V207-M410 HydrophobicContact CG2-SD 3.86Å; T208-M410 WeakPolarHBondContact CA-O 3.34Å; L209-M410 HydrophobicContact CB-CG 4.26Å; L209-M410 HydrophobicContact CD1-CE 4.39Å; L209-M410 HydrophobicContact CD1-CG 4.25Å; L209-M410 HydrophobicContact CD1-SD 4.49Å; L209-M410 HydrophobicContact CG-CG 4.19Å; L209-M410 PolarHBondContact N-O 3.09Å; L209-M410 PolarHBondContact O-N 3.14Å |
| 411 | G | 98.4 | Very high | 98.6 | Very high | 29 Ų | 29 | 32 Ų | 32 | 30% | 0.299 | 19% | 0.193 | S | C | . | . | trans | 82.8 | 176.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 412 | C | 98.4 | Very high | 98.6 | Very high | 30 Ų | 30 | 29 Ų | 29 | 20% | 0.203 | 17% | 0.173 | C | C | . | . | trans | -153.2 | 164.7 | 174.5 | 64.8 | 0 | 0 | 0 | 0 | 110.4 | P401 F402 Q421 | P401-C412 HydrophobicContact CB-CB 3.86Å; F402-C412 CarbonylContact O-C 3.57Å; F402-C412 WeakPolarHBondContact O-CA 3.33Å; F402-C412 WeakPolarHBondContact O-CB 3.17Å; C412-Q421 WeakPolarHBondContact O-CB 3.4Å; C412-Q421 WeakPolarHBondContact O-CG 3.14Å | ||
| 413 | Y | 98.7 | Very high | 98.6 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -148.3 | -164.6 | 176.5 | 80.7 | -66.9 | 0 | 0 | 0 | 111 | Q123 P124 F185 E210 F402 S418 | Q123-Y413 HydrophobicContact CB-CE2 3.9Å; Q123-Y413 HydrophobicContact CG-CD2 4.26Å; Q123-Y413 HydrophobicContact CG-CE2 3.67Å; Q123-Y413 PolarHBondContact OE1-OH 2.84Å; P124-Y413 HydrophobicContact CG-CD2 4.38Å; P124-Y413 HydrophobicContact CG-CE2 4.19Å; F185-Y413 HydrophobicContact CE2-CD1 4.17Å; F185-Y413 HydrophobicContact CE2-CD2 4.37Å; F185-Y413 AromaticContact CE2-CG 3.93Å; F185-Y413 HydrophobicContact CE2-CG 3.93Å; F185-Y413 AromaticContact CZ-CD1 3.68Å; F185-Y413 HydrophobicContact CZ-CD1 3.68Å; F185-Y413 HydrophobicContact CZ-CD2 4.11Å; F185-Y413 AromaticContact CZ-CE1 3.94Å; F185-Y413 HydrophobicContact CZ-CE1 3.94Å; F185-Y413 HydrophobicContact CZ-CE2 4.4Å; F185-Y413 AromaticContact CZ-CG 3.79Å; F185-Y413 HydrophobicContact CZ-CG 3.79Å; E210-Y413 HydrophobicContact CG-CD1 4.2Å; E210-Y413 HydrophobicContact CG-CE1 3.89Å; E210-Y413 WeakPolarHBondContact OE1-CD1 3.25Å; F402-Y413 AromaticContact CD1-CD1 3.98Å; F402-Y413 HydrophobicContact CD1-CD1 3.98Å; F402-Y413 AromaticContact CD1-CE1 3.33Å; F402-Y413 HydrophobicContact CD1-CE1 3.33Å; F402-Y413 AromaticContact CE1-CE1 3.85Å; F402-Y413 HydrophobicContact CE1-CE1 3.85Å; F402-Y413 HydrophobicContact CG-CE1 4.38Å; F402-Y413 PolarHBondContact N-O 2.89Å; F402-Y413 PolarHBondContact O-N 2.69Å; Y413-S418 WeakPolarHBondContact CB-OG 3.21Å |
| 414 | H | 98.2 | Very high | 98.6 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 88.8 | 139.8 | -167.7 | -65.3 | -148.4 | 0 | 0 | 0 | 113.7 | Q123 F395 F402 K416 F417 S418 | Q123-H414 PolarHBondContact NE2-CD2 2.81Å; Q123-H414 PolarHBondContact NE2-CE1 3.33Å; Q123-H414 VanDerWaalsContact NE2-CE1 3.27Å; Q123-H414 VanDerWaalsContact NE2-CG 3.28Å; Q123-H414 PolarHBondContact NE2-ND1 2.85Å; Q123-H414 PolarHBondContact NE2-NE2 3.29Å; Q123-H414 PolarHBondContact OE1-NE2 3.39Å; F395-H414 AromaticContact CD2-CE1 3.5Å; F395-H414 VanDerWaalsContact CD2-CE1 3.5Å; F395-H414 WeakPolarHBondContact CD2-CE1 3.38Å; F395-H414 AromaticContact CD2-NE2 3.91Å; F395-H414 AromaticContact CE2-CE1 3.34Å; F395-H414 WeakPolarHBondContact CE2-CE1 3.48Å; F395-H414 AromaticContact CE2-NE2 3.4Å; F395-H414 WeakPolarHBondContact CE2-NE2 3.35Å; F395-H414 AromaticContact CG-CE1 3.95Å; F395-H414 AromaticContact CZ-CE1 3.66Å; F395-H414 AromaticContact CZ-NE2 3.83Å; F395-H414 PolarHBondContact O-CE1 3.36Å; F395-H414 VanDerWaalsContact O-CE1 3.3Å; F395-H414 PolarHBondContact O-ND1 3.4Å; F402-H414 AromaticContact CD1-NE2 3.81Å; F402-H414 AromaticContact CG-NE2 3.72Å; H414-K416 PolarHBondContact O-N 3.31Å; H414-F417 WeakPolarHBondContact O-CA 3.38Å; H414-F417 VanDerWaalsContact O-CB 3.31Å; H414-F417 WeakPolarHBondContact O-CB 3.2Å; H414-F417 PolarHBondContact O-N 2.95Å; H414-S418 WeakPolarHBondContact CA-OG 3.32Å; H414-S418 PolarHBondContact N-OG 2.79Å; H414-S418 PolarHBondContact O-N 2.83Å; H414-S418 VanDerWaalsContact O-N 3.09Å |
| 415 | G | 98.4 | Very high | 98.6 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | 44.2 | -121.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E70 F417 S418 F419 | E70-G415 PolarHBondContact OE2-N 2.97Å; G415-F417 VanDerWaalsContact C-N 3.3Å; G415-F417 PolarHBondContact O-N 3.16Å; G415-S418 PolarHBondContact O-N 2.82Å; G415-F419 PolarHBondContact O-N 3.24Å |
| 416 | K | 98.6 | Very high | 98.6 | Very high | 69 Ų | 69 | 37.7 Ų | 37.7 | 30% | 0.3 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.9 | -31.2 | 179.6 | -170.6 | -175.2 | -177 | -47 | 0 | 112.5 | W81 H414 F419 D420 | W81-K416 HydrophobicContact CD2-CB 4.45Å; W81-K416 HydrophobicContact CD2-CG 4.36Å; W81-K416 HydrophobicContact CG-CG 4.23Å; W81-K416 HydrophobicContact CZ2-CB 3.97Å; H414-K416 PolarHBondContact O-N 3.31Å; K416-F419 WeakPolarHBondContact O-CB 3.19Å; K416-F419 PolarHBondContact O-N 2.93Å; K416-D420 IonicContact NZ-OD1 4Å; K416-D420 PolarHBondContact NZ-OD1 3.25Å; K416-D420 IonicContact NZ-OD2 2.74Å; K416-D420 PolarHBondContact NZ-OD2 2.86Å; K416-D420 PolarHBondContact O-N 2.74Å |
| 417 | F | 98.8 | Very high | 98.6 | Very high | 66 Ų | 66 | 38.5 Ų | 38.5 | 29% | 0.289 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.3 | -38.8 | 179.7 | -56.8 | -82 | 0 | 0 | 0 | 111 | S399 P401 H414 G415 F419 D420 Q421 | S399-F417 WeakPolarHBondContact O-CE2 3.47Å; P401-F417 HydrophobicContact CB-CD1 3.82Å; P401-F417 HydrophobicContact CB-CD2 4.04Å; P401-F417 HydrophobicContact CB-CE1 3.95Å; P401-F417 HydrophobicContact CB-CE2 4.17Å; P401-F417 HydrophobicContact CB-CG 3.87Å; P401-F417 HydrophobicContact CB-CZ 4.13Å; P401-F417 HydrophobicContact CG-CE1 4.18Å; P401-F417 HydrophobicContact CG-CE2 4.47Å; P401-F417 HydrophobicContact CG-CZ 4.15Å; H414-F417 WeakPolarHBondContact O-CA 3.38Å; H414-F417 VanDerWaalsContact O-CB 3.31Å; H414-F417 WeakPolarHBondContact O-CB 3.2Å; H414-F417 PolarHBondContact O-N 2.95Å; G415-F417 VanDerWaalsContact C-N 3.3Å; G415-F417 PolarHBondContact O-N 3.16Å; F417-F419 VanDerWaalsContact C-N 3.34Å; F417-F419 PolarHBondContact O-N 2.96Å; F417-D420 PolarHBondContact O-N 3.47Å; F417-Q421 WeakPolarHBondContact O-CB 3.32Å; F417-Q421 PolarHBondContact O-N 3.23Å |
| 418 | S | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.4 | -47.1 | 169.7 | -67.6 | 0 | 0 | 0 | 0 | 112.1 | Y413 H414 G415 L422 | Y413-S418 WeakPolarHBondContact CB-OG 3.21Å; H414-S418 WeakPolarHBondContact CA-OG 3.32Å; H414-S418 PolarHBondContact N-OG 2.79Å; H414-S418 PolarHBondContact O-N 2.83Å; H414-S418 VanDerWaalsContact O-N 3.09Å; G415-S418 PolarHBondContact O-N 2.82Å; S418-L422 WeakPolarHBondContact O-CB 3.32Å; S418-L422 PolarHBondContact O-N 3.45Å; S418-L422 VanDerWaalsContact O-N 3.14Å |
| 419 | F | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 1% | 0.013 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.4 | -46.4 | 179.4 | 176.6 | -84.1 | 0 | 0 | 0 | 111.6 | L78 W81 A82 P102 A130 A131 G415 K416 F417 S423 | L78-F419 HydrophobicContact CD1-CD2 4.17Å; L78-F419 HydrophobicContact CD1-CE2 3.81Å; W81-F419 HydrophobicContact CB-CD1 3.8Å; W81-F419 HydrophobicContact CB-CD2 4.16Å; W81-F419 HydrophobicContact CB-CE1 3.87Å; W81-F419 HydrophobicContact CB-CE2 4.21Å; W81-F419 HydrophobicContact CB-CG 3.96Å; W81-F419 HydrophobicContact CB-CZ 4.08Å; W81-F419 HydrophobicContact CD2-CB 4.38Å; W81-F419 HydrophobicContact CD2-CG 4.46Å; W81-F419 HydrophobicContact CE3-CB 3.78Å; W81-F419 HydrophobicContact CE3-CD2 4.08Å; W81-F419 AromaticContact CE3-CG 3.99Å; W81-F419 HydrophobicContact CE3-CG 3.99Å; W81-F419 HydrophobicContact CZ3-CB 4.27Å; W81-F419 WeakPolarHBondContact O-CE1 3.3Å; A82-F419 HydrophobicContact CB-CE2 4.41Å; A82-F419 HydrophobicContact CB-CZ 3.97Å; P102-F419 HydrophobicContact CB-CE1 3.71Å; P102-F419 HydrophobicContact CB-CZ 4Å; P102-F419 HydrophobicContact CG-CE1 4.1Å; A130-F419 HydrophobicContact CB-CD2 4.2Å; A130-F419 WeakPolarHBondContact O-CE2 3.46Å; A131-F419 HydrophobicContact CB-CD2 4.32Å; G415-F419 PolarHBondContact O-N 3.24Å; K416-F419 WeakPolarHBondContact O-CB 3.19Å; K416-F419 PolarHBondContact O-N 2.93Å; F417-F419 VanDerWaalsContact C-N 3.34Å; F417-F419 PolarHBondContact O-N 2.96Å; F419-S423 VanDerWaalsContact O-CB 3.29Å; F419-S423 WeakPolarHBondContact O-CB 3.42Å; F419-S423 PolarHBondContact O-N 3.37Å; F419-S423 PolarHBondContact O-OG 3.14Å |
| 420 | D | 98.8 | Very high | 98.5 | Very high | 36 Ų | 36 | 44 Ų | 44 | 19% | 0.193 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.4 | -45.8 | -179.3 | -78.3 | -2.7 | 0 | 0 | 0 | 111.6 | R85 K416 F417 L422 S423 | R85-D420 IonicContact CZ-OD1 3.06Å; R85-D420 VanDerWaalsContact CZ-OD1 3.26Å; R85-D420 IonicContact NH1-OD1 3.55Å; R85-D420 PolarHBondContact NH1-OD1 2.82Å; R85-D420 IonicContact NH1-OD2 3.97Å; R85-D420 PolarHBondContact NH1-OD2 2.89Å; R85-D420 IonicContact NH2-OD1 2.96Å; R85-D420 PolarHBondContact NH2-OD1 3.36Å; K416-D420 IonicContact NZ-OD1 4Å; K416-D420 PolarHBondContact NZ-OD1 3.25Å; K416-D420 IonicContact NZ-OD2 2.74Å; K416-D420 PolarHBondContact NZ-OD2 2.86Å; K416-D420 PolarHBondContact O-N 2.74Å; F417-D420 PolarHBondContact O-N 3.47Å; D420-L422 VanDerWaalsContact C-N 3.26Å; D420-L422 PolarHBondContact O-N 3.4Å; D420-S423 PolarHBondContact O-N 3.26Å; D420-S423 VanDerWaalsContact O-N 3.11Å |
| 421 | Q | 98.6 | Very high | 98.3 | Very high | 62 Ų | 62 | 44.6 Ų | 44.6 | 29% | 0.29 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.4 | -33.9 | -178.5 | -167.9 | 67.8 | 30.3 | 0 | 0 | 112.1 | Y183 C412 F417 S423 | Y183-Q421 WeakPolarHBondContact OH-CG 3.49Å; Y183-Q421 PolarHBondContact OH-NE2 3.1Å; C412-Q421 WeakPolarHBondContact O-CB 3.4Å; C412-Q421 WeakPolarHBondContact O-CG 3.14Å; F417-Q421 WeakPolarHBondContact O-CB 3.32Å; F417-Q421 PolarHBondContact O-N 3.23Å; Q421-S423 VanDerWaalsContact C-N 3.35Å |
| 422 | L | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 15.6 | 178.6 | -61.8 | 171.3 | 0 | 0 | 0 | 112.9 | V108 A128 A131 N133 Y183 S418 D420 | V108-L422 HydrophobicContact CG1-CD2 4.07Å; V108-L422 HydrophobicContact CG2-CD2 4.17Å; A128-L422 HydrophobicContact CB-CD1 4.01Å; A131-L422 HydrophobicContact CB-CB 4.05Å; A131-L422 WeakPolarHBondContact CB-O 3.14Å; N133-L422 PolarHBondContact ND2-O 2.88Å; Y183-L422 HydrophobicContact CD1-CD2 3.45Å; Y183-L422 VanDerWaalsContact CD1-CD2 3.45Å; Y183-L422 HydrophobicContact CD2-CD2 4.45Å; Y183-L422 HydrophobicContact CE1-CD2 3.78Å; Y183-L422 HydrophobicContact CG-CD2 3.85Å; S418-L422 WeakPolarHBondContact O-CB 3.32Å; S418-L422 PolarHBondContact O-N 3.45Å; S418-L422 VanDerWaalsContact O-N 3.14Å; D420-L422 VanDerWaalsContact C-N 3.26Å; D420-L422 PolarHBondContact O-N 3.4Å |
| 423 | S | 98.9 | Very high | 97.7 | Very high | 9 Ų | 9 | 58 Ų | 58 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 149 | 171 | -61.3 | 0 | 0 | 0 | 0 | 110.5 | E103 A131 F419 D420 Q421 | E103-S423 CarbonylContact O-C 3.6Å; E103-S423 VanDerWaalsContact O-CA 3.32Å; E103-S423 WeakPolarHBondContact O-CA 3.43Å; A131-S423 WeakPolarHBondContact CB-OG 3.26Å; F419-S423 VanDerWaalsContact O-CB 3.29Å; F419-S423 WeakPolarHBondContact O-CB 3.42Å; F419-S423 PolarHBondContact O-N 3.37Å; F419-S423 PolarHBondContact O-OG 3.14Å; D420-S423 PolarHBondContact O-N 3.26Å; D420-S423 VanDerWaalsContact O-N 3.11Å; Q421-S423 VanDerWaalsContact C-N 3.35Å |
| 424 | H | 98.8 | Very high | 97.2 | Very high | 88 Ų | 88 | 65.2 Ų | 65.2 | 41% | 0.407 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 124.5 | 159.1 | 175.8 | -123.6 | 0 | 0 | 0 | 109.1 | P102 E103 L105 R426 | P102-H424 WeakPolarHBondContact CA-O 3.44Å; E103-H424 HydrophobicContact CG-CB 3.88Å; E103-H424 PolarHBondContact N-O 2.87Å; E103-H424 PolarHBondContact O-N 2.94Å; E103-H424 IonicContact OE1-CE1 3.25Å; E103-H424 IonicContact OE1-CG 3.21Å; E103-H424 IonicContact OE1-ND1 2.82Å; E103-H424 PolarHBondContact OE1-ND1 2.92Å; L105-H424 HydrophobicContact CD2-CB 3.9Å; H424-R426 PolarHBondContact O-N 3.34Å |
| 425 | L | 98.6 | Very high | 96.5 | Very high | 70 Ų | 70 | 70.6 Ų | 70.6 | 37% | 0.366 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 81.6 | 176.1 | -64.2 | -172.8 | 0 | 0 | 0 | 110.1 | I100 P102 G427 | I100-L425 HydrophobicContact CG2-CB 3.69Å; I100-L425 HydrophobicContact CG2-CD2 4.25Å; I100-L425 HydrophobicContact CG2-CG 4.43Å; P102-L425 HydrophobicContact CB-CD2 4.06Å; P102-L425 HydrophobicContact CG-CD2 3.96Å; L425-G427 PolarHBondContact O-N 3.36Å |
| 426 | R | 98.6 | Very high | 96.1 | Very high | 107 Ų | 107 | 75.4 Ų | 75.4 | 40% | 0.404 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 118.8 | -173.4 | -170.8 | 173.7 | 71.4 | -167.4 | 8.8 | 112.4 | I100 Q101 E103 H424 C428 | I100-R426 CarbonylContact C-O 3.55Å; I100-R426 WeakPolarHBondContact CA-O 3.23Å; Q101-R426 PolarHBondContact N-O 2.96Å; Q101-R426 WeakPolarHBondContact O-CB 3.37Å; Q101-R426 PolarHBondContact O-N 2.88Å; E103-R426 WeakPolarHBondContact OE1-CD 3.5Å; E103-R426 IonicContact OE1-NH1 2.71Å; E103-R426 IonicContact OE2-CZ 3.24Å; E103-R426 IonicContact OE2-NE 3.24Å; E103-R426 IonicContact OE2-NH1 2.87Å; E103-R426 PolarHBondContact OE2-NH1 3.12Å; H424-R426 PolarHBondContact O-N 3.34Å; R426-C428 PolarHBondContact O-N 3.2Å |
| 427 | G | 98.3 | Very high | 95.5 | Very high | 65 Ų | 65 | 74.7 Ų | 74.7 | 67% | 0.67 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 123.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L425 | L425-G427 PolarHBondContact O-N 3.36Å |
| 428 | C | 98.3 | Very high | 94.7 | Very high | 16 Ų | 16 | 75.8 Ų | 75.8 | 11% | 0.108 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 125.6 | -178.4 | -64.8 | 0 | 0 | 0 | 0 | 110.3 | V98 Y99 R426 | V98-C428 WeakPolarHBondContact CA-O 3.21Å; Y99-C428 HydrophobicContact CD1-CB 3.8Å; Y99-C428 HydrophobicContact CD2-CB 4.09Å; Y99-C428 HydrophobicContact CE1-CB 3.47Å; Y99-C428 VanDerWaalsContact CE1-CB 3.47Å; Y99-C428 HydrophobicContact CE2-CB 3.84Å; Y99-C428 HydrophobicContact CG-CB 4.1Å; Y99-C428 PolarHBondContact N-O 2.91Å; Y99-C428 WeakPolarHBondContact O-CB 3.46Å; Y99-C428 PolarHBondContact O-N 3.43Å; R426-C428 PolarHBondContact O-N 3.2Å |
| 429 | L | 97.3 | Very high | 94.1 | Very high | 89 Ų | 89 | 76.8 Ų | 76.8 | 47% | 0.466 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 113.7 | 171 | -173 | 163.1 | 0 | 0 | 0 | 108.7 | T93 D96 T97 V98 K431 | T93-L429 HydrophobicContact CG2-CD1 3.82Å; D96-L429 HydrophobicContact CB-CD2 4.34Å; T97-L429 WeakPolarHBondContact O-CA 3.36Å; V98-L429 HydrophobicContact CG2-CG 4.24Å; L429-K431 HydrophobicContact CD2-CD 3.99Å; L429-K431 HydrophobicContact CD2-CG 3.27Å |
| 430 | I | 97.2 | Very high | 93.5 | Very high | 91 Ų | 91 | 80.9 Ų | 80.9 | 47% | 0.467 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 110.1 | -179.4 | -50.6 | 174.1 | 0 | 0 | 0 | 108.4 | T97 Y99 | T97-I430 PolarHBondContact N-O 3Å; T97-I430 VanDerWaalsContact N-O 3.09Å; T97-I430 PolarHBondContact O-N 3.18Å; Y99-I430 HydrophobicContact CE1-CD1 3.85Å; Y99-I430 HydrophobicContact CE1-CG1 4.38Å |
| 431 | K | 94.3 | Very high | 92.7 | Very high | 90 Ų | 90 | 81.2 Ų | 81.2 | 39% | 0.391 | 43% | 0.426 | S | S | . | . | trans | -91.7 | 148.9 | 172.4 | -55.7 | -168.4 | 74.7 | 78.1 | 0 | 110.3 | D96 L429 | D96-K431 IonicContact OD1-NZ 3.94Å; D96-K431 PolarHBondContact OD1-NZ 3.39Å; D96-K431 IonicContact OD2-NZ 3.75Å; D96-K431 PolarHBondContact OD2-NZ 3.34Å; L429-K431 HydrophobicContact CD2-CD 3.99Å; L429-K431 HydrophobicContact CD2-CG 3.27Å | ||
| 432 | K | 92.1 | Very high | 92.2 | Very high | 156 Ų | 156 | 85.1 Ų | 85.1 | 68% | 0.678 | 44% | 0.438 | S | S | * | . | trans | -83 | 149 | 164.4 | -61.8 | 178.7 | -176.4 | 175.3 | 0 | 108.7 | K434 | K432-K434 HydrophobicContact CB-CB 4.4Å; K432-K434 HydrophobicContact CB-CG 4.38Å; K432-K434 PolarHBondContact O-N 3.18Å | ||
| 433 | L | 93.2 | Very high | 91.8 | Very high | 186 Ų | 186 | 88.4 Ų | 88.4 | 97% | 0.974 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -74.7 | 61.8 | 169.2 | -62.7 | 177.4 | 0 | 0 | 0 | 110.5 | ||
| 434 | K | 88.6 | Confident | 91.6 | Very high | 154 Ų | 154 | 92.6 Ų | 92.6 | 67% | 0.67 | 48% | 0.478 | S | S | * | . | trans | -143.2 | 165.8 | -178.6 | -65.9 | -169.5 | 178.6 | -171.2 | 0 | 109.5 | K432 E436 | K432-K434 HydrophobicContact CB-CB 4.4Å; K432-K434 HydrophobicContact CB-CG 4.38Å; K432-K434 PolarHBondContact O-N 3.18Å; K434-E436 VanDerWaalsContact C-N 3.27Å; K434-E436 PolarHBondContact O-N 3.3Å | ||
| 435 | M | 83.4 | Confident | 91.4 | Very high | 116 Ų | 116 | 93.1 Ų | 93.1 | 57% | 0.571 | 49% | 0.489 | S | S | * | . | trans | 59.9 | 32.7 | 178.9 | -53.8 | -172.6 | -65.1 | 0 | 0 | 114 | S95 G437 V438 | S95-M435 WeakPolarHBondContact OG-CE 3.43Å; M435-G437 PolarHBondContact O-N 3.38Å; M435-G437 VanDerWaalsContact O-N 3.16Å; M435-V438 HydrophobicContact CB-CG2 4.11Å; M435-V438 WeakPolarHBondContact O-CB 3.43Å; M435-V438 PolarHBondContact O-N 3.45Å | ||
| 436 | E | 90.2 | Very high | 91.1 | Very high | 105 Ų | 105 | 96.5 Ų | 96.5 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.6 | -30.2 | -177.9 | -173.6 | 59.2 | -169.4 | 0 | 0 | 113 | K434 V438 N439 Y443 | K434-E436 VanDerWaalsContact C-N 3.27Å; K434-E436 PolarHBondContact O-N 3.3Å; E436-V438 PolarHBondContact O-N 3.01Å; E436-N439 WeakPolarHBondContact O-CB 3.37Å; E436-N439 PolarHBondContact O-N 2.98Å; E436-N439 PolarHBondContact OE2-ND2 3.47Å; E436-Y443 WeakPolarHBondContact OE1-CE2 3.46Å; E436-Y443 PolarHBondContact OE1-OH 2.62Å |
| 437 | G | 84.4 | Confident | 90.9 | Very high | 54 Ų | 54 | 94.1 Ų | 94.1 | 56% | 0.557 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -57.9 | -29.5 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | M435 N439 N440 | M435-G437 PolarHBondContact O-N 3.38Å; M435-G437 VanDerWaalsContact O-N 3.16Å; G437-N439 VanDerWaalsContact C-N 3.31Å; G437-N440 VanDerWaalsContact O-CB 3.3Å; G437-N440 WeakPolarHBondContact O-CB 3.33Å; G437-N440 PolarHBondContact O-N 3.26Å; G437-N440 PolarHBondContact O-ND2 2.78Å |
| 438 | V | 81.9 | Confident | 90.6 | Very high | 88 Ų | 88 | 96.7 Ų | 96.7 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.9 | -33 | 175.5 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | M435 E436 N440 M441 | M435-V438 HydrophobicContact CB-CG2 4.11Å; M435-V438 WeakPolarHBondContact O-CB 3.43Å; M435-V438 PolarHBondContact O-N 3.45Å; E436-V438 PolarHBondContact O-N 3.01Å; V438-N440 PolarHBondContact O-N 3.29Å; V438-M441 PolarHBondContact O-N 2.77Å |
| 439 | N | 87 | Confident | 90.2 | Very high | 24 Ų | 24 | 103.4 Ų | 103.4 | 13% | 0.128 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -69.1 | -15.6 | 178.2 | -66.9 | -36.6 | 0 | 0 | 0 | 113 | E436 G437 M441 R442 Y443 | E436-N439 WeakPolarHBondContact O-CB 3.37Å; E436-N439 PolarHBondContact O-N 2.98Å; E436-N439 PolarHBondContact OE2-ND2 3.47Å; G437-N439 VanDerWaalsContact C-N 3.31Å; N439-M441 PolarHBondContact O-N 2.93Å; N439-R442 HydrophobicContact CB-CG 4.41Å; N439-R442 PolarHBondContact ND2-NH2 3.35Å; N439-R442 WeakPolarHBondContact O-CG 3.42Å; N439-R442 PolarHBondContact O-N 3.06Å; N439-R442 PolarHBondContact OD1-NE 3.5Å; N439-R442 PolarHBondContact OD1-NH2 3.29Å; N439-Y443 HydrophobicContact CB-CD2 4.22Å; N439-Y443 HydrophobicContact CB-CE1 4.15Å; N439-Y443 HydrophobicContact CB-CE2 3.43Å; N439-Y443 VanDerWaalsContact CB-CE2 3.43Å; N439-Y443 WeakPolarHBondContact CB-OH 3.37Å; N439-Y443 WeakPolarHBondContact O-CD2 3.49Å; N439-Y443 PolarHBondContact O-N 2.64Å |
| 440 | N | 85.9 | Confident | 89.8 | Confident | 89 Ų | 89 | 101.4 Ų | 101.4 | 48% | 0.476 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -26 | 173.8 | -75.3 | -27.3 | 0 | 0 | 0 | 113.3 | G437 V438 R442 Y443 K450 | G437-N440 VanDerWaalsContact O-CB 3.3Å; G437-N440 WeakPolarHBondContact O-CB 3.33Å; G437-N440 PolarHBondContact O-N 3.26Å; G437-N440 PolarHBondContact O-ND2 2.78Å; V438-N440 PolarHBondContact O-N 3.29Å; N440-R442 VanDerWaalsContact C-N 3.32Å; N440-R442 PolarHBondContact O-N 2.97Å; N440-Y443 PolarHBondContact O-N 2.79Å; N440-K450 WeakPolarHBondContact O-CE 3.29Å; N440-K450 PolarHBondContact O-NZ 3.17Å |
| 441 | M | 82.7 | Confident | 89.4 | Confident | 44 Ų | 44 | 102.1 Ų | 102.1 | 22% | 0.217 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -33.6 | 175.9 | 178.7 | 173.4 | 47 | 0 | 0 | 113 | L92 V438 N439 W453 F457 | L92-M441 HydrophobicContact CD2-CE 3.97Å; V438-M441 PolarHBondContact O-N 2.77Å; N439-M441 PolarHBondContact O-N 2.93Å; M441-W453 HydrophobicContact CG-CB 4.27Å; M441-W453 HydrophobicContact SD-CB 3.49Å; M441-W453 WeakPolarHBondContact SD-CB 3.36Å; M441-W453 HydrophobicContact SD-CG 4.48Å; M441-F457 HydrophobicContact CE-CD2 3.74Å; M441-F457 HydrophobicContact CE-CE2 3.97Å; M441-F457 HydrophobicContact SD-CD2 3.71Å; M441-F457 HydrophobicContact SD-CE2 3.94Å |
| 442 | R | 86.9 | Confident | 89.1 | Confident | 143 Ų | 143 | 99.8 Ų | 99.8 | 54% | 0.54 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -20.9 | 177.5 | 61 | 170.4 | -173.6 | -175.8 | 3.3 | 113.4 | N439 N440 | N439-R442 HydrophobicContact CB-CG 4.41Å; N439-R442 PolarHBondContact ND2-NH2 3.35Å; N439-R442 WeakPolarHBondContact O-CG 3.42Å; N439-R442 PolarHBondContact O-N 3.06Å; N439-R442 PolarHBondContact OD1-NE 3.5Å; N439-R442 PolarHBondContact OD1-NH2 3.29Å; N440-R442 VanDerWaalsContact C-N 3.32Å; N440-R442 PolarHBondContact O-N 2.97Å |
| 443 | Y | 92 | Very high | 88.7 | Confident | 73 Ų | 73 | 98.7 Ų | 98.7 | 29% | 0.286 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -76.3 | 150.8 | -178.5 | -60 | -31.4 | 0 | 0 | 0 | 113.2 | E436 N439 N440 K450 | E436-Y443 WeakPolarHBondContact OE1-CE2 3.46Å; E436-Y443 PolarHBondContact OE1-OH 2.62Å; N439-Y443 HydrophobicContact CB-CD2 4.22Å; N439-Y443 HydrophobicContact CB-CE1 4.15Å; N439-Y443 HydrophobicContact CB-CE2 3.43Å; N439-Y443 VanDerWaalsContact CB-CE2 3.43Å; N439-Y443 WeakPolarHBondContact CB-OH 3.37Å; N439-Y443 WeakPolarHBondContact O-CD2 3.49Å; N439-Y443 PolarHBondContact O-N 2.64Å; N440-Y443 PolarHBondContact O-N 2.79Å; Y443-K450 PolarHBondContact O-NZ 3.37Å |
| 444 | P | 94.1 | Very high | 88.2 | Confident | 97 Ų | 97 | 90.9 Ų | 90.9 | 63% | 0.63 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -60 | 158 | 168.1 | -24.3 | 35.3 | 0 | 0 | 0 | 113.3 | ||
| 445 | P | 93.6 | Very high | 87.9 | Confident | 98 Ų | 98 | 91.3 Ų | 91.3 | 64% | 0.636 | 48% | 0.476 | S | S | * | . | S | Bend | cis | -72.5 | 146.1 | -7.2 | 30.5 | -34.5 | 0 | 0 | 0 | 111.3 | K450 | P445-K450 WeakPolarHBondContact O-CD 3.41Å; P445-K450 WeakPolarHBondContact O-CE 3.47Å; P445-K450 PolarHBondContact O-NZ 2.94Å |
| 446 | H | 92.9 | Very high | 87.8 | Confident | 142 Ų | 142 | 90.3 Ų | 90.3 | 66% | 0.657 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -80.3 | 131.4 | 176.4 | -57 | -58.1 | 0 | 0 | 0 | 109.8 | ||
| 447 | T | 93.9 | Very high | 87.2 | Confident | 56 Ų | 56 | 87.7 Ų | 87.7 | 34% | 0.344 | 46% | 0.456 | S | S | . | . | trans | -130.5 | 155.9 | -178.4 | 66.6 | 0 | 0 | 0 | 0 | 110.3 | K449 K450 L451 | T447-K449 PolarHBondContact O-N 2.93Å; T447-K449 VanDerWaalsContact O-N 3.11Å; T447-K450 PolarHBondContact O-N 3.03Å; T447-K450 PolarHBondContact OG1-N 3.29Å; T447-L451 PolarHBondContact O-N 3.4Å | ||
| 448 | P | 93.3 | Very high | 86.9 | Confident | 119 Ų | 119 | 92 Ų | 92 | 77% | 0.773 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -53.2 | -33.9 | 175.4 | -28.3 | 35.7 | 0 | 0 | 0 | 113.1 | L451 G452 | P448-L451 PolarHBondContact O-N 3.37Å; P448-G452 PolarHBondContact O-N 3.33Å |
| 449 | K | 88.8 | Confident | 86.8 | Confident | 157 Ų | 157 | 93.9 Ų | 93.9 | 68% | 0.683 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64 | -45.3 | 175.2 | -173.4 | 178 | -179.9 | 179.5 | 0 | 112.5 | T447 L451 G452 W453 | T447-K449 PolarHBondContact O-N 2.93Å; T447-K449 VanDerWaalsContact O-N 3.11Å; K449-L451 VanDerWaalsContact C-N 3.33Å; K449-G452 PolarHBondContact O-N 2.98Å; K449-W453 VanDerWaalsContact O-CD1 3.29Å; K449-W453 PolarHBondContact O-N 3.43Å; K449-W453 VanDerWaalsContact O-N 3.15Å |
| 450 | K | 90.2 | Very high | 85.9 | Confident | 48 Ų | 48 | 94.8 Ų | 94.8 | 21% | 0.209 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 176 | -73 | -179.8 | 179.3 | 179.9 | 0 | 111.2 | N440 Y443 P445 T447 G452 W453 A454 | N440-K450 WeakPolarHBondContact O-CE 3.29Å; N440-K450 PolarHBondContact O-NZ 3.17Å; Y443-K450 PolarHBondContact O-NZ 3.37Å; P445-K450 WeakPolarHBondContact O-CD 3.41Å; P445-K450 WeakPolarHBondContact O-CE 3.47Å; P445-K450 PolarHBondContact O-NZ 2.94Å; T447-K450 PolarHBondContact O-N 3.03Å; T447-K450 PolarHBondContact OG1-N 3.29Å; K450-G452 VanDerWaalsContact C-N 3.34Å; K450-G452 PolarHBondContact O-N 3.22Å; K450-W453 PolarHBondContact O-N 3.38Å; K450-A454 WeakPolarHBondContact O-CB 3.44Å; K450-A454 PolarHBondContact O-N 3.44Å |
| 451 | L | 88.3 | Confident | 84.5 | Confident | 106 Ų | 106 | 97 Ų | 97 | 56% | 0.555 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.4 | -40.1 | 174.9 | -179.4 | 61.2 | 0 | 0 | 0 | 112.2 | T447 P448 K449 A454 R455 | T447-L451 PolarHBondContact O-N 3.4Å; P448-L451 PolarHBondContact O-N 3.37Å; K449-L451 VanDerWaalsContact C-N 3.33Å; L451-A454 PolarHBondContact O-N 3.24Å; L451-R455 WeakPolarHBondContact O-CB 3.15Å; L451-R455 WeakPolarHBondContact O-CG 3.1Å; L451-R455 PolarHBondContact O-N 2.83Å |
| 452 | G | 87.3 | Confident | 83.3 | Confident | 40 Ų | 40 | 100.2 Ų | 100.2 | 41% | 0.412 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P448 K449 K450 R455 F456 | P448-G452 PolarHBondContact O-N 3.33Å; K449-G452 PolarHBondContact O-N 2.98Å; K450-G452 VanDerWaalsContact C-N 3.34Å; K450-G452 PolarHBondContact O-N 3.22Å; G452-R455 PolarHBondContact O-N 3.36Å; G452-F456 PolarHBondContact O-N 3.5Å |
| 453 | W | 83.3 | Confident | 81.6 | Confident | 133 Ų | 133 | 101 Ų | 101 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 174.8 | -78.1 | 109.8 | 0 | 0 | 0 | 112.8 | M441 K449 K450 R455 F456 F457 | M441-W453 HydrophobicContact CG-CB 4.27Å; M441-W453 HydrophobicContact SD-CB 3.49Å; M441-W453 WeakPolarHBondContact SD-CB 3.36Å; M441-W453 HydrophobicContact SD-CG 4.48Å; K449-W453 VanDerWaalsContact O-CD1 3.29Å; K449-W453 PolarHBondContact O-N 3.43Å; K449-W453 VanDerWaalsContact O-N 3.15Å; K450-W453 PolarHBondContact O-N 3.38Å; W453-R455 VanDerWaalsContact C-N 3.35Å; W453-R455 PolarHBondContact O-N 2.95Å; W453-F456 WeakPolarHBondContact O-CB 3.37Å; W453-F456 PolarHBondContact O-N 3.11Å; W453-F457 HydrophobicContact CD2-CE2 4.5Å; W453-F457 HydrophobicContact CE3-CD2 4.4Å; W453-F457 AromaticContact CE3-CE2 3.63Å; W453-F457 HydrophobicContact CE3-CE2 3.63Å; W453-F457 HydrophobicContact CE3-CZ 4.21Å; W453-F457 HydrophobicContact CZ3-CE2 4.24Å; W453-F457 HydrophobicContact CZ3-CZ 4.38Å; W453-F457 WeakPolarHBondContact O-CD2 3.4Å; W453-F457 PolarHBondContact O-N 2.63Å |
| 454 | A | 83.4 | Confident | 79.9 | Confident | 23 Ų | 23 | 99.4 Ų | 99.4 | 19% | 0.19 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | K450 L451 F456 F457 F458 | K450-A454 WeakPolarHBondContact O-CB 3.44Å; K450-A454 PolarHBondContact O-N 3.44Å; L451-A454 PolarHBondContact O-N 3.24Å; A454-F456 VanDerWaalsContact C-N 3.29Å; A454-F456 PolarHBondContact O-N 3.3Å; A454-F457 PolarHBondContact O-N 3.32Å; A454-F458 HydrophobicContact CB-CD2 4.17Å; A454-F458 HydrophobicContact CB-CE2 4.34Å; A454-F458 WeakPolarHBondContact O-CB 3.28Å; A454-F458 WeakPolarHBondContact O-CD2 3.25Å; A454-F458 PolarHBondContact O-N 2.94Å |
| 455 | R | 82.9 | Confident | 78.1 | Confident | 162 Ų | 162 | 97.1 Ų | 97.1 | 61% | 0.611 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -56.6 | -43.4 | 175.3 | -82.1 | -176.3 | 134.9 | 163.9 | -2.1 | 112.1 | L451 G452 W453 L459 | L451-R455 WeakPolarHBondContact O-CB 3.15Å; L451-R455 WeakPolarHBondContact O-CG 3.1Å; L451-R455 PolarHBondContact O-N 2.83Å; G452-R455 PolarHBondContact O-N 3.36Å; W453-R455 VanDerWaalsContact C-N 3.35Å; W453-R455 PolarHBondContact O-N 2.95Å; R455-L459 HydrophobicContact CB-CD1 4.23Å; R455-L459 HydrophobicContact CG-CD1 4.29Å; R455-L459 WeakPolarHBondContact O-CB 3.25Å; R455-L459 VanDerWaalsContact O-CG 3.26Å; R455-L459 WeakPolarHBondContact O-CG 3.49Å; R455-L459 PolarHBondContact O-N 3.03Å |
| 456 | F | 81.3 | Confident | 76.4 | Confident | 96 Ų | 96 | 102.1 Ų | 102.1 | 42% | 0.421 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.6 | -61.3 | 174.4 | -179.7 | -98.2 | 0 | 0 | 0 | 110.4 | G452 W453 A454 F458 L459 T460 | G452-F456 PolarHBondContact O-N 3.5Å; W453-F456 WeakPolarHBondContact O-CB 3.37Å; W453-F456 PolarHBondContact O-N 3.11Å; A454-F456 VanDerWaalsContact C-N 3.29Å; A454-F456 PolarHBondContact O-N 3.3Å; F456-F458 VanDerWaalsContact C-N 3.33Å; F456-F458 PolarHBondContact O-N 3.15Å; F456-L459 PolarHBondContact O-N 3.2Å; F456-T460 HydrophobicContact CD2-CG2 3.78Å; F456-T460 HydrophobicContact CE2-CG2 3.81Å; F456-T460 HydrophobicContact CG-CG2 4.35Å; F456-T460 HydrophobicContact CZ-CG2 4.39Å; F456-T460 WeakPolarHBondContact O-CB 3.5Å; F456-T460 WeakPolarHBondContact O-CG2 3.29Å; F456-T460 PolarHBondContact O-N 3.27Å; F456-T460 PolarHBondContact O-OG1 3.48Å |
| 457 | F | 76.8 | Confident | 74.6 | Confident | 49 Ų | 49 | 98.6 Ų | 98.6 | 22% | 0.215 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -64.9 | -28.6 | -174.1 | -72 | -68.1 | 0 | 0 | 0 | 115.4 | L91 L92 M441 W453 A454 | L91-F457 HydrophobicContact CB-CD1 4.1Å; L91-F457 HydrophobicContact CD1-CD1 3.89Å; L92-F457 HydrophobicContact CD2-CB 4.16Å; L92-F457 HydrophobicContact CD2-CG 4.27Å; M441-F457 HydrophobicContact CE-CD2 3.74Å; M441-F457 HydrophobicContact CE-CE2 3.97Å; M441-F457 HydrophobicContact SD-CD2 3.71Å; M441-F457 HydrophobicContact SD-CE2 3.94Å; W453-F457 HydrophobicContact CD2-CE2 4.5Å; W453-F457 HydrophobicContact CE3-CD2 4.4Å; W453-F457 AromaticContact CE3-CE2 3.63Å; W453-F457 HydrophobicContact CE3-CE2 3.63Å; W453-F457 HydrophobicContact CE3-CZ 4.21Å; W453-F457 HydrophobicContact CZ3-CE2 4.24Å; W453-F457 HydrophobicContact CZ3-CZ 4.38Å; W453-F457 WeakPolarHBondContact O-CD2 3.4Å; W453-F457 PolarHBondContact O-N 2.63Å; A454-F457 PolarHBondContact O-N 3.32Å |
| 458 | F | 78 | Confident | 73.2 | Confident | 144 Ų | 144 | 96.8 Ų | 96.8 | 63% | 0.632 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -87.9 | -29.6 | 179 | -75.6 | -66.5 | 0 | 0 | 0 | 113.8 | L92 A454 F456 | L92-F458 HydrophobicContact CD1-CD1 4.42Å; L92-F458 HydrophobicContact CD1-CE1 3.7Å; L92-F458 HydrophobicContact CD1-CE2 4.15Å; L92-F458 HydrophobicContact CD1-CZ 3.53Å; A454-F458 HydrophobicContact CB-CD2 4.17Å; A454-F458 HydrophobicContact CB-CE2 4.34Å; A454-F458 WeakPolarHBondContact O-CB 3.28Å; A454-F458 WeakPolarHBondContact O-CD2 3.25Å; A454-F458 PolarHBondContact O-N 2.94Å; F456-F458 VanDerWaalsContact C-N 3.33Å; F456-F458 PolarHBondContact O-N 3.15Å |
| 459 | L | 79.8 | Confident | 71.6 | Confident | 128 Ų | 128 | 96.3 Ų | 96.3 | 67% | 0.67 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -100.5 | -18.9 | -175.6 | -56.3 | 175.5 | 0 | 0 | 0 | 113.3 | R455 F456 T461 | R455-L459 HydrophobicContact CB-CD1 4.23Å; R455-L459 HydrophobicContact CG-CD1 4.29Å; R455-L459 WeakPolarHBondContact O-CB 3.25Å; R455-L459 VanDerWaalsContact O-CG 3.26Å; R455-L459 WeakPolarHBondContact O-CG 3.49Å; R455-L459 PolarHBondContact O-N 3.03Å; F456-L459 PolarHBondContact O-N 3.2Å; L459-T461 PolarHBondContact O-N 3.28Å |
| 460 | T | 69.1 | Low | 70.5 | Confident | 44 Ų | 44 | 93.8 Ų | 93.8 | 27% | 0.27 | 48% | 0.477 | S | S | . | . | trans | -81 | 103 | 172.6 | 57.9 | 0 | 0 | 0 | 0 | 110.3 | F456 | F456-T460 HydrophobicContact CD2-CG2 3.78Å; F456-T460 HydrophobicContact CE2-CG2 3.81Å; F456-T460 HydrophobicContact CG-CG2 4.35Å; F456-T460 HydrophobicContact CZ-CG2 4.39Å; F456-T460 WeakPolarHBondContact O-CB 3.5Å; F456-T460 WeakPolarHBondContact O-CG2 3.29Å; F456-T460 PolarHBondContact O-N 3.27Å; F456-T460 PolarHBondContact O-OG1 3.48Å | ||
| 461 | T | 56.3 | Low | 69.3 | Low | 136 Ų | 136 | 97.3 Ų | 97.3 | 83% | 0.834 | 50% | 0.497 | S | S | * | . | trans | -82.9 | 108.8 | 164.9 | 50.6 | 0 | 0 | 0 | 0 | 108.7 | L459 | L459-T461 PolarHBondContact O-N 3.28Š| ||
| 462 | F | 57.9 | Low | 68.1 | Low | 110 Ų | 110 | 93.8 Ų | 93.8 | 48% | 0.482 | 48% | 0.479 | S | S | . | . | trans | -95.9 | 108.6 | 169.2 | -83.9 | -80.5 | 0 | 0 | 0 | 108.8 | L91 L464 | L91-F462 HydrophobicContact CD1-CD2 4.31Å; F462-L464 HydrophobicContact CB-CD1 3.49Å; F462-L464 VanDerWaalsContact CB-CD1 3.49Å; F462-L464 HydrophobicContact CB-CG 3.83Å; F462-L464 HydrophobicContact CD1-CD1 3.89Å; F462-L464 HydrophobicContact CD1-CG 4.21Å; F462-L464 HydrophobicContact CG-CD1 3.84Å; F462-L464 HydrophobicContact CG-CG 4.39Å; F462-L464 PolarHBondContact O-N 3.49Å | ||
| 463 | D | 51.3 | Low | 67 | Low | 160 Ų | 160 | 95.8 Ų | 95.8 | 86% | 0.856 | 48% | 0.48 | S | S | * | . | trans | -77.2 | 71.6 | 167.2 | -166.3 | 6.7 | 0 | 0 | 0 | 109.1 | ||||
| 464 | L | 54.6 | Low | 66.2 | Low | 39 Ų | 39 | 92.1 Ų | 92.1 | 20% | 0.204 | 48% | 0.478 | C | S | . | . | trans | -92.8 | 109 | 178.7 | -71.9 | 158 | 0 | 0 | 0 | 107.7 | F462 R469 L472 | F462-L464 HydrophobicContact CB-CD1 3.49Å; F462-L464 VanDerWaalsContact CB-CD1 3.49Å; F462-L464 HydrophobicContact CB-CG 3.83Å; F462-L464 HydrophobicContact CD1-CD1 3.89Å; F462-L464 HydrophobicContact CD1-CG 4.21Å; F462-L464 HydrophobicContact CG-CD1 3.84Å; F462-L464 HydrophobicContact CG-CG 4.39Å; F462-L464 PolarHBondContact O-N 3.49Å; L464-R469 HydrophobicContact CB-CG 4.02Å; L464-R469 WeakPolarHBondContact O-CG 3.37Å; L464-R469 PolarHBondContact O-NE 2.91Å; L464-L472 HydrophobicContact CD1-CB 4.09Å; L464-L472 HydrophobicContact CD1-CD1 3.84Å; L464-L472 HydrophobicContact CD1-CD2 3.97Å; L464-L472 HydrophobicContact CD1-CG 4.18Å | ||
| 465 | G | 57.1 | Low | 65.4 | Low | 50 Ų | 50 | 95.7 Ų | 95.7 | 52% | 0.515 | 49% | 0.493 | S | S | . | . | trans | -56 | 176 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A467 G468 R469 | G465-A467 VanDerWaalsContact C-N 3.32Å; G465-A467 PolarHBondContact O-N 2.89Å; G465-A467 VanDerWaalsContact O-N 3.17Å; G465-G468 WeakPolarHBondContact O-CA 3.44Å; G465-G468 PolarHBondContact O-N 3.24Å; G465-R469 PolarHBondContact O-N 3.49Å | ||
| 466 | W | 57.8 | Low | 64.6 | Low | 203 Ų | 203 | 91.6 Ų | 91.6 | 77% | 0.769 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -51.2 | -44.9 | -172.9 | 175.1 | 81.2 | 0 | 0 | 0 | 114.3 | G468 R469 M470 | W466-G468 PolarHBondContact O-N 2.92Å; W466-R469 PolarHBondContact O-N 3.45Å; W466-M470 HydrophobicContact CZ2-CE 4.27Å; W466-M470 HydrophobicContact CZ2-CG 4.37Å; W466-M470 WeakPolarHBondContact O-CG 3.28Å; W466-M470 PolarHBondContact O-N 2.89Å; W466-M470 VanDerWaalsContact O-N 3.1Å |
| 467 | A | 55.1 | Low | 64 | Low | 67 Ų | 67 | 90 Ų | 90 | 55% | 0.554 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.2 | -38.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G465 M470 L471 | G465-A467 VanDerWaalsContact C-N 3.32Å; G465-A467 PolarHBondContact O-N 2.89Å; G465-A467 VanDerWaalsContact O-N 3.17Å; A467-M470 PolarHBondContact O-N 3.38Å; A467-L471 PolarHBondContact O-N 3.33Å |
| 468 | G | 64.1 | Low | 63.7 | Low | 18 Ų | 18 | 92.2 Ų | 92.2 | 19% | 0.186 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G465 W466 M470 L471 L472 | G465-G468 WeakPolarHBondContact O-CA 3.44Å; G465-G468 PolarHBondContact O-N 3.24Å; W466-G468 PolarHBondContact O-N 2.92Å; G468-M470 VanDerWaalsContact C-N 3.35Å; G468-L471 PolarHBondContact O-N 3.39Å; G468-L472 WeakPolarHBondContact O-CB 3.33Å; G468-L472 PolarHBondContact O-N 3.48Å |
| 469 | R | 60.7 | Low | 63.2 | Low | 110 Ų | 110 | 89.5 Ų | 89.5 | 42% | 0.415 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 175.4 | -65.6 | 177.4 | -171.6 | -167.5 | -4.6 | 111.5 | E88 L464 G465 W466 L473 | E88-R469 IonicContact OE1-NH2 3.27Å; L464-R469 HydrophobicContact CB-CG 4.02Å; L464-R469 WeakPolarHBondContact O-CG 3.37Å; L464-R469 PolarHBondContact O-NE 2.91Å; G465-R469 PolarHBondContact O-N 3.49Å; W466-R469 PolarHBondContact O-N 3.45Å; R469-L473 WeakPolarHBondContact O-CB 3.47Å; R469-L473 WeakPolarHBondContact O-CD1 3.22Å; R469-L473 VanDerWaalsContact O-CG 3.26Å; R469-L473 WeakPolarHBondContact O-CG 3.35Å; R469-L473 PolarHBondContact O-N 2.89Å |
| 470 | M | 65.8 | Low | 62.5 | Low | 104 Ų | 104 | 85.7 Ų | 85.7 | 51% | 0.512 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.3 | -40.2 | 176.3 | -67.5 | -63.2 | -107.1 | 0 | 0 | 112.1 | W466 A467 G468 L473 A474 | W466-M470 HydrophobicContact CZ2-CE 4.27Å; W466-M470 HydrophobicContact CZ2-CG 4.37Å; W466-M470 WeakPolarHBondContact O-CG 3.28Å; W466-M470 PolarHBondContact O-N 2.89Å; W466-M470 VanDerWaalsContact O-N 3.1Å; A467-M470 PolarHBondContact O-N 3.38Å; G468-M470 VanDerWaalsContact C-N 3.35Å; M470-L473 PolarHBondContact O-N 2.89Å; M470-L473 HydrophobicContact SD-CD1 4.33Å; M470-A474 PolarHBondContact O-N 3.46Å |
| 471 | L | 65.4 | Low | 62.2 | Low | 121 Ų | 121 | 86.3 Ų | 86.3 | 63% | 0.634 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.8 | -41.2 | 175.9 | -151.5 | 100.6 | 0 | 0 | 0 | 111.6 | A467 G468 A474 L475 | A467-L471 PolarHBondContact O-N 3.33Å; G468-L471 PolarHBondContact O-N 3.39Å; L471-A474 PolarHBondContact O-N 2.82Å; L471-L475 HydrophobicContact CD2-CD1 4.27Å; L471-L475 WeakPolarHBondContact O-CB 3.32Å; L471-L475 PolarHBondContact O-N 2.96Å |
| 472 | L | 62.1 | Low | 62.7 | Low | 33 Ų | 33 | 86.8 Ų | 86.8 | 17% | 0.173 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 176.9 | -153.4 | 89 | 0 | 0 | 0 | 111.7 | L91 L464 G468 L475 M476 | L91-L472 HydrophobicContact CD2-CD2 3.35Å; L464-L472 HydrophobicContact CD1-CB 4.09Å; L464-L472 HydrophobicContact CD1-CD1 3.84Å; L464-L472 HydrophobicContact CD1-CD2 3.97Å; L464-L472 HydrophobicContact CD1-CG 4.18Å; G468-L472 WeakPolarHBondContact O-CB 3.33Å; G468-L472 PolarHBondContact O-N 3.48Å; L472-L475 PolarHBondContact O-N 3.26Å; L472-M476 WeakPolarHBondContact O-CB 3.5Å; L472-M476 VanDerWaalsContact O-CG 3.24Å; L472-M476 WeakPolarHBondContact O-CG 3.26Å; L472-M476 PolarHBondContact O-N 2.9Å |
| 473 | L | 63.7 | Low | 62.9 | Low | 81 Ų | 81 | 85.2 Ų | 85.2 | 42% | 0.424 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 172.7 | -79.6 | 165.9 | 0 | 0 | 0 | 111.8 | L94 R469 M470 M476 A477 | L94-L473 HydrophobicContact CD2-CD2 3.71Å; L94-L473 HydrophobicContact CD2-CG 3.98Å; L94-L473 HydrophobicContact CG-CD2 4.42Å; R469-L473 WeakPolarHBondContact O-CB 3.47Å; R469-L473 WeakPolarHBondContact O-CD1 3.22Å; R469-L473 VanDerWaalsContact O-CG 3.26Å; R469-L473 WeakPolarHBondContact O-CG 3.35Å; R469-L473 PolarHBondContact O-N 2.89Å; M470-L473 PolarHBondContact O-N 2.89Å; M470-L473 HydrophobicContact SD-CD1 4.33Å; L473-M476 PolarHBondContact O-N 3.3Å; L473-A477 WeakPolarHBondContact O-CB 3.37Å; L473-A477 PolarHBondContact O-N 2.96Å |
| 474 | A | 68.1 | Low | 63.2 | Low | 56 Ų | 56 | 82.8 Ų | 82.8 | 46% | 0.463 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | M470 L471 A477 V478 | M470-A474 PolarHBondContact O-N 3.46Å; L471-A474 PolarHBondContact O-N 2.82Å; A474-A477 PolarHBondContact O-N 3.4Å; A474-V478 WeakPolarHBondContact O-CG2 3.44Å; A474-V478 PolarHBondContact O-N 2.93Å |
| 475 | L | 65.8 | Low | 63.2 | Low | 99 Ų | 99 | 87.2 Ų | 87.2 | 52% | 0.518 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 174.9 | -96 | 150.8 | 0 | 0 | 0 | 112.3 | L471 L472 A477 V478 V479 | L471-L475 HydrophobicContact CD2-CD1 4.27Å; L471-L475 WeakPolarHBondContact O-CB 3.32Å; L471-L475 PolarHBondContact O-N 2.96Å; L472-L475 PolarHBondContact O-N 3.26Å; L475-A477 VanDerWaalsContact C-N 3.33Å; L475-A477 PolarHBondContact O-N 3.28Å; L475-V478 PolarHBondContact O-N 2.88Å; L475-V479 WeakPolarHBondContact O-CG2 3.39Å; L475-V479 PolarHBondContact O-N 3.34Å |
| 476 | M | 65.8 | Low | 62.9 | Low | 76 Ų | 76 | 93 Ų | 93 | 37% | 0.374 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.3 | -34.5 | 176.2 | -71.7 | -127 | -70.6 | 0 | 0 | 112 | L472 L473 V479 A480 | L472-M476 WeakPolarHBondContact O-CB 3.5Å; L472-M476 VanDerWaalsContact O-CG 3.24Å; L472-M476 WeakPolarHBondContact O-CG 3.26Å; L472-M476 PolarHBondContact O-N 2.9Å; L473-M476 PolarHBondContact O-N 3.3Å; M476-V479 PolarHBondContact O-N 3.1Å; M476-A480 VanDerWaalsContact O-CB 3.22Å; M476-A480 WeakPolarHBondContact O-CB 3.31Å; M476-A480 PolarHBondContact O-N 3.42Å |
| 477 | A | 69.4 | Low | 62.3 | Low | 61 Ų | 61 | 92.5 Ų | 92.5 | 50% | 0.504 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | L473 A474 L475 A480 A481 | L473-A477 WeakPolarHBondContact O-CB 3.37Å; L473-A477 PolarHBondContact O-N 2.96Å; A474-A477 PolarHBondContact O-N 3.4Å; L475-A477 VanDerWaalsContact C-N 3.33Å; L475-A477 PolarHBondContact O-N 3.28Å; A477-A480 PolarHBondContact O-N 3.39Å; A477-A481 WeakPolarHBondContact O-CB 3.45Å; A477-A481 PolarHBondContact O-N 3.32Å |
| 478 | V | 69.5 | Low | 61.8 | Low | 97 Ų | 97 | 96.3 Ų | 96.3 | 59% | 0.588 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.2 | -44.7 | 174.2 | 171.6 | 0 | 0 | 0 | 0 | 111 | A474 L475 A481 F482 | A474-V478 WeakPolarHBondContact O-CG2 3.44Å; A474-V478 PolarHBondContact O-N 2.93Å; L475-V478 PolarHBondContact O-N 2.88Å; V478-A481 PolarHBondContact O-N 2.99Å; V478-F482 WeakPolarHBondContact O-CB 3.34Å; V478-F482 PolarHBondContact O-N 2.98Å |
| 479 | V | 68.1 | Low | 60.6 | Low | 86 Ų | 86 | 109.3 Ų | 109.3 | 52% | 0.521 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64 | -42.8 | 176.3 | 172.6 | 0 | 0 | 0 | 0 | 111 | L475 M476 A481 F482 V483 | L475-V479 WeakPolarHBondContact O-CG2 3.39Å; L475-V479 PolarHBondContact O-N 3.34Å; M476-V479 PolarHBondContact O-N 3.1Å; V479-A481 PolarHBondContact O-N 2.83Å; V479-F482 PolarHBondContact O-N 3.42Å; V479-V483 HydrophobicContact CG1-CG2 4.37Å; V479-V483 VanDerWaalsContact O-CG2 3.28Å; V479-V483 WeakPolarHBondContact O-CG2 3.4Å; V479-V483 PolarHBondContact O-N 3.34Å |
| 480 | A | 65 | Low | 60.6 | Low | 49 Ų | 49 | 109.3 Ų | 109.3 | 41% | 0.405 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.3 | -42.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | M476 A477 F482 V483 L484 | M476-A480 VanDerWaalsContact O-CB 3.22Å; M476-A480 WeakPolarHBondContact O-CB 3.31Å; M476-A480 PolarHBondContact O-N 3.42Å; A477-A480 PolarHBondContact O-N 3.39Å; A480-F482 VanDerWaalsContact C-N 3.34Å; A480-V483 PolarHBondContact O-N 3.2Å; A480-L484 WeakPolarHBondContact O-CB 3.38Å; A480-L484 PolarHBondContact O-N 3.43Å |
| 481 | A | 63.3 | Low | 60.3 | Low | 56 Ų | 56 | 109.5 Ų | 109.5 | 46% | 0.463 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.8 | -41.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A477 V478 V479 L484 Q485 | A477-A481 WeakPolarHBondContact O-CB 3.45Å; A477-A481 PolarHBondContact O-N 3.32Å; V478-A481 PolarHBondContact O-N 2.99Å; V479-A481 PolarHBondContact O-N 2.83Å; A481-L484 PolarHBondContact O-N 3.43Å; A481-Q485 WeakPolarHBondContact O-CB 3.5Å; A481-Q485 PolarHBondContact O-N 2.87Å |
| 482 | F | 65.9 | Low | 60.1 | Low | 146 Ų | 146 | 108.9 Ų | 108.9 | 64% | 0.64 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.5 | -37.8 | 178.2 | -150.2 | -91.1 | 0 | 0 | 0 | 112.6 | V478 V479 A480 Q485 K486 | V478-F482 WeakPolarHBondContact O-CB 3.34Å; V478-F482 PolarHBondContact O-N 2.98Å; V479-F482 PolarHBondContact O-N 3.42Å; A480-F482 VanDerWaalsContact C-N 3.34Å; F482-Q485 PolarHBondContact O-N 3.1Å; F482-K486 PolarHBondContact O-N 3.03Å |
| 483 | V | 61.5 | Low | 59.9 | Low | 78 Ų | 78 | 113.4 Ų | 113.4 | 47% | 0.473 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.6 | -42.5 | 174.6 | 172.2 | 0 | 0 | 0 | 0 | 111 | V479 A480 Q485 K486 Y487 | V479-V483 HydrophobicContact CG1-CG2 4.37Å; V479-V483 VanDerWaalsContact O-CG2 3.28Å; V479-V483 WeakPolarHBondContact O-CG2 3.4Å; V479-V483 PolarHBondContact O-N 3.34Å; A480-V483 PolarHBondContact O-N 3.2Å; V483-Q485 VanDerWaalsContact C-N 3.33Å; V483-Q485 PolarHBondContact O-N 3.19Å; V483-K486 PolarHBondContact O-N 3.32Å; V483-Y487 HydrophobicContact CG1-CD2 4.35Å; V483-Y487 PolarHBondContact O-N 2.95Å |
| 484 | L | 58.2 | Low | 59.7 | Low | 108 Ų | 108 | 115.4 Ų | 115.4 | 57% | 0.565 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.3 | -41.7 | 173.9 | -90.4 | 153.8 | 0 | 0 | 0 | 111.8 | A480 A481 K486 Y487 L488 | A480-L484 WeakPolarHBondContact O-CB 3.38Å; A480-L484 PolarHBondContact O-N 3.43Å; A481-L484 PolarHBondContact O-N 3.43Å; L484-K486 PolarHBondContact O-N 2.93Å; L484-Y487 PolarHBondContact O-N 2.99Å; L484-Y487 VanDerWaalsContact O-N 3.15Å; L484-L488 WeakPolarHBondContact O-CG 3.34Å; L484-L488 PolarHBondContact O-N 2.96Å; L484-L488 VanDerWaalsContact O-N 3.11Å |
| 485 | Q | 54.1 | Low | 59.2 | Low | 132 Ų | 132 | 119.3 Ų | 119.3 | 62% | 0.617 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.4 | -25.4 | 178.4 | -155.8 | 176.1 | 15.8 | 0 | 0 | 112.8 | A481 F482 V483 | A481-Q485 WeakPolarHBondContact O-CB 3.5Å; A481-Q485 PolarHBondContact O-N 2.87Å; F482-Q485 PolarHBondContact O-N 3.1Å; V483-Q485 VanDerWaalsContact C-N 3.33Å; V483-Q485 PolarHBondContact O-N 3.19Å |
| 486 | K | 51.3 | Low | 58.7 | Low | 172 Ų | 172 | 120.8 Ų | 120.8 | 75% | 0.748 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -83.4 | -18.7 | 176.7 | -149.5 | 179.5 | -175.3 | -179.9 | 0 | 113.6 | F482 V483 L484 | F482-K486 PolarHBondContact O-N 3.03Å; V483-K486 PolarHBondContact O-N 3.32Å; L484-K486 PolarHBondContact O-N 2.93Å |
| 487 | Y | 46.2 | Very low | 58.1 | Low | 193 Ų | 193 | 124.2 Ų | 124.2 | 76% | 0.757 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -95.4 | -13.7 | 175 | -93.9 | -85.7 | 0 | 0 | 0 | 113.3 | V483 L484 | V483-Y487 HydrophobicContact CG1-CD2 4.35Å; V483-Y487 PolarHBondContact O-N 2.95Å; L484-Y487 PolarHBondContact O-N 2.99Å; L484-Y487 VanDerWaalsContact O-N 3.15Å |
| 488 | L | 43.6 | Very low | 57.2 | Low | 147 Ų | 147 | 129.5 Ų | 129.5 | 77% | 0.77 | 64% | 0.637 | S | S | * | * | trans | -96.6 | 13.1 | 176.2 | -73.2 | 166.6 | 0 | 0 | 0 | 113.3 | L484 | L484-L488 WeakPolarHBondContact O-CG 3.34Å; L484-L488 PolarHBondContact O-N 2.96Å; L484-L488 VanDerWaalsContact O-N 3.11Å | ||
| 489 | R | 39.7 | Very low | 56.1 | Low | 290 Ų | 290 | 132.5 Ų | 132.5 | 100% | 1.094 | 64% | 0.641 | S | S | * | * | trans | -112.3 | 0 | 171.7 | -94.1 | -170.1 | 175.8 | -176.3 | -0.1 | 111.1 |
Retrieved 489 of 489 residues in 657.6 ms
(Link to these results)