| 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 | 76.2 | Confident | 93 | Very high | 216 Ų | 216 | 115.1 Ų | 115.1 | 100% | 1.064 | 62% | 0.616 | S | S | * | * | 0 | -22.2 | 0 | -68 | 176.2 | 71.3 | 0 | 0 | 114 | |||||
| 2 | W | 90.6 | Very high | 93.2 | Very high | 192 Ų | 192 | 120.1 Ų | 120.1 | 73% | 0.727 | 62% | 0.62 | S | S | * | * | trans | -88 | -16.1 | -178.1 | -58 | 102.7 | 0 | 0 | 0 | 116 | L5 L6 | W2-L5 HydrophobicContact CE3-CD1 3.7Å; W2-L5 HydrophobicContact CZ3-CD1 3.94Å; W2-L5 WeakPolarHBondContact O-CB 3.34Å; W2-L5 PolarHBondContact O-N 2.98Å; W2-L5 VanDerWaalsContact O-N 3.16Å; W2-L6 WeakPolarHBondContact O-CG 3.5Å; W2-L6 PolarHBondContact O-N 2.98Å | ||
| 3 | L | 92.4 | Very high | 93.3 | Very high | 119 Ų | 119 | 113.5 Ų | 113.5 | 62% | 0.623 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -58.8 | -44.4 | -175 | -173.9 | 68.7 | 0 | 0 | 0 | 113.8 | L5 L6 L7 | L3-L5 VanDerWaalsContact C-N 3.32Å; L3-L5 PolarHBondContact O-N 2.93Å; L3-L6 PolarHBondContact O-N 2.91Å; L3-L7 HydrophobicContact CG-CD1 4.12Å; L3-L7 WeakPolarHBondContact O-CG 3.49Å; L3-L7 PolarHBondContact O-N 3.16Å |
| 4 | P | 94.2 | Very high | 93.5 | Very high | 94 Ų | 94 | 110.2 Ų | 110.2 | 61% | 0.61 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.2 | -35.2 | 176.4 | -21.8 | 34.7 | 0 | 0 | 0 | 113.2 | G8 | P4-G8 PolarHBondContact O-N 3.35Å |
| 5 | L | 94 | Very high | 93.6 | Very high | 113 Ų | 113 | 109.5 Ų | 109.5 | 59% | 0.592 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.5 | -42.8 | 177.1 | -69 | 171.2 | 0 | 0 | 0 | 111.4 | W2 L3 G8 A9 | W2-L5 HydrophobicContact CE3-CD1 3.7Å; W2-L5 HydrophobicContact CZ3-CD1 3.94Å; W2-L5 WeakPolarHBondContact O-CB 3.34Å; W2-L5 PolarHBondContact O-N 2.98Å; W2-L5 VanDerWaalsContact O-N 3.16Å; L3-L5 VanDerWaalsContact C-N 3.32Å; L3-L5 PolarHBondContact O-N 2.93Å; L5-G8 PolarHBondContact O-N 3.38Å; L5-A9 WeakPolarHBondContact O-CB 3.43Å; L5-A9 PolarHBondContact O-N 3.41Å |
| 6 | L | 95.1 | Very high | 93.6 | Very high | 117 Ų | 117 | 109.2 Ų | 109.2 | 61% | 0.613 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.6 | -44 | 175.7 | -71.4 | 171.8 | 0 | 0 | 0 | 111.7 | W2 L3 A9 L10 | W2-L6 WeakPolarHBondContact O-CG 3.5Å; W2-L6 PolarHBondContact O-N 2.98Å; L3-L6 PolarHBondContact O-N 2.91Å; L6-A9 PolarHBondContact O-N 2.93Å; L6-L10 WeakPolarHBondContact O-CB 3.43Å; L6-L10 PolarHBondContact O-N 3.39Å |
| 7 | L | 95.9 | Very high | 93.6 | Very high | 102 Ų | 102 | 107.5 Ų | 107.5 | 53% | 0.534 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.9 | -40.7 | 176.3 | -71.4 | 171.2 | 0 | 0 | 0 | 111.9 | L3 L10 L11 | L3-L7 HydrophobicContact CG-CD1 4.12Å; L3-L7 WeakPolarHBondContact O-CG 3.49Å; L3-L7 PolarHBondContact O-N 3.16Å; L7-L10 PolarHBondContact O-N 2.93Å; L7-L11 WeakPolarHBondContact O-CB 3.38Å; L7-L11 PolarHBondContact O-N 3.46Å |
| 8 | G | 96.3 | Very high | 93.6 | Very high | 40 Ų | 40 | 106.9 Ų | 106.9 | 41% | 0.412 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.9 | -44.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P4 L5 L11 W12 | P4-G8 PolarHBondContact O-N 3.35Å; L5-G8 PolarHBondContact O-N 3.38Å; G8-L11 PolarHBondContact O-N 3.4Å; G8-W12 WeakPolarHBondContact O-CB 3.36Å; G8-W12 PolarHBondContact O-N 2.93Å |
| 9 | A | 95.3 | Very high | 93.6 | Very high | 57 Ų | 57 | 108.7 Ų | 108.7 | 47% | 0.471 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.8 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L5 L6 W12 A13 | L5-A9 WeakPolarHBondContact O-CB 3.43Å; L5-A9 PolarHBondContact O-N 3.41Å; L6-A9 PolarHBondContact O-N 2.93Å; A9-W12 PolarHBondContact O-N 2.9Å; A9-A13 WeakPolarHBondContact O-CB 3.47Å; A9-A13 PolarHBondContact O-N 3.44Å |
| 10 | L | 96 | Very high | 93.6 | Very high | 111 Ų | 111 | 104.3 Ų | 104.3 | 58% | 0.581 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.3 | -47.2 | 175.8 | -176.9 | 67.7 | 0 | 0 | 0 | 111.2 | L6 L7 W12 A13 V14 | L6-L10 WeakPolarHBondContact O-CB 3.43Å; L6-L10 PolarHBondContact O-N 3.39Å; L7-L10 PolarHBondContact O-N 2.93Å; L10-W12 VanDerWaalsContact C-N 3.35Å; L10-W12 PolarHBondContact O-N 3.36Å; L10-A13 PolarHBondContact O-N 3.49Å; L10-V14 WeakPolarHBondContact O-CG2 3.28Å; L10-V14 PolarHBondContact O-N 3.39Å |
| 11 | L | 96.6 | Very high | 93.5 | Very high | 105 Ų | 105 | 108.7 Ų | 108.7 | 55% | 0.55 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.7 | -46.3 | 177.5 | 178.7 | 62 | 0 | 0 | 0 | 111.2 | L7 G8 A13 V14 L15 | L7-L11 WeakPolarHBondContact O-CB 3.38Å; L7-L11 PolarHBondContact O-N 3.46Å; G8-L11 PolarHBondContact O-N 3.4Å; L11-A13 VanDerWaalsContact C-N 3.35Å; L11-A13 PolarHBondContact O-N 3.33Å; L11-V14 PolarHBondContact O-N 3.46Å; L11-L15 HydrophobicContact CD1-CD1 4.16Å; L11-L15 HydrophobicContact CD1-CG 4.19Å; L11-L15 HydrophobicContact CG-CD1 4.03Å; L11-L15 HydrophobicContact CG-CG 4.46Å; L11-L15 WeakPolarHBondContact O-CB 3.37Å; L11-L15 VanDerWaalsContact O-CG 3.28Å; L11-L15 WeakPolarHBondContact O-CG 3.26Å; L11-L15 PolarHBondContact O-N 2.83Å |
| 12 | W | 96.1 | Very high | 94.3 | Very high | 175 Ų | 175 | 102 Ų | 102 | 66% | 0.663 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.3 | -44.9 | 175.6 | 175.5 | 84.4 | 0 | 0 | 0 | 111.9 | G8 A9 L10 V14 L15 W16 | G8-W12 WeakPolarHBondContact O-CB 3.36Å; G8-W12 PolarHBondContact O-N 2.93Å; A9-W12 PolarHBondContact O-N 2.9Å; L10-W12 VanDerWaalsContact C-N 3.35Å; L10-W12 PolarHBondContact O-N 3.36Å; W12-V14 PolarHBondContact O-N 3.23Å; W12-L15 PolarHBondContact O-N 3.46Å; W12-W16 VanDerWaalsContact O-CB 3.28Å; W12-W16 WeakPolarHBondContact O-CB 3.29Å; W12-W16 PolarHBondContact O-N 2.9Å |
| 13 | A | 94.3 | Very high | 94.4 | Very high | 35 Ų | 35 | 96.7 Ų | 96.7 | 29% | 0.289 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | A9 L10 L11 W16 L17 | A9-A13 WeakPolarHBondContact O-CB 3.47Å; A9-A13 PolarHBondContact O-N 3.44Å; L10-A13 PolarHBondContact O-N 3.49Å; L11-A13 VanDerWaalsContact C-N 3.35Å; L11-A13 PolarHBondContact O-N 3.33Å; A13-W16 PolarHBondContact O-N 2.89Å; A13-L17 WeakPolarHBondContact O-CB 3.28Å; A13-L17 VanDerWaalsContact O-CG 3.29Å; A13-L17 WeakPolarHBondContact O-CG 3.44Å; A13-L17 PolarHBondContact O-N 2.91Å |
| 14 | V | 95.7 | Very high | 94.2 | Very high | 67 Ų | 67 | 94 Ų | 94 | 41% | 0.406 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -48.1 | 175.8 | 171 | 0 | 0 | 0 | 0 | 110.8 | L10 L11 W12 W16 L17 L18 | L10-V14 WeakPolarHBondContact O-CG2 3.28Å; L10-V14 PolarHBondContact O-N 3.39Å; L11-V14 PolarHBondContact O-N 3.46Å; W12-V14 PolarHBondContact O-N 3.23Å; V14-W16 VanDerWaalsContact C-N 3.31Å; V14-W16 PolarHBondContact O-N 3.48Å; V14-L17 PolarHBondContact O-N 2.9Å; V14-L18 HydrophobicContact CG1-CD1 4.02Å; V14-L18 HydrophobicContact CG1-CG 4.41Å; V14-L18 WeakPolarHBondContact O-CG 3.3Å; V14-L18 PolarHBondContact O-N 3.41Å |
| 15 | L | 95.4 | Very high | 93.5 | Very high | 100 Ų | 100 | 94.5 Ų | 94.5 | 52% | 0.524 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 177.8 | -70.5 | 174.8 | 0 | 0 | 0 | 111.9 | L11 W12 L18 R19 | L11-L15 HydrophobicContact CD1-CD1 4.16Å; L11-L15 HydrophobicContact CD1-CG 4.19Å; L11-L15 HydrophobicContact CG-CD1 4.03Å; L11-L15 HydrophobicContact CG-CG 4.46Å; L11-L15 WeakPolarHBondContact O-CB 3.37Å; L11-L15 VanDerWaalsContact O-CG 3.28Å; L11-L15 WeakPolarHBondContact O-CG 3.26Å; L11-L15 PolarHBondContact O-N 2.83Å; W12-L15 PolarHBondContact O-N 3.46Å; L15-L18 PolarHBondContact O-N 3.41Å; L15-R19 VanDerWaalsContact O-CB 3.26Å; L15-R19 WeakPolarHBondContact O-CB 3.33Å; L15-R19 PolarHBondContact O-N 2.93Å |
| 16 | W | 94.2 | Very high | 92.5 | Very high | 104 Ų | 104 | 93.1 Ų | 93.1 | 39% | 0.394 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63 | -45.7 | 174.8 | -179.2 | 86.7 | 0 | 0 | 0 | 111.5 | W12 A13 V14 R19 D20 | W12-W16 VanDerWaalsContact O-CB 3.28Å; W12-W16 WeakPolarHBondContact O-CB 3.29Å; W12-W16 PolarHBondContact O-N 2.9Å; A13-W16 PolarHBondContact O-N 2.89Å; V14-W16 VanDerWaalsContact C-N 3.31Å; V14-W16 PolarHBondContact O-N 3.48Å; W16-R19 PolarHBondContact O-N 3.29Å; W16-D20 VanDerWaalsContact O-CB 3.3Å; W16-D20 WeakPolarHBondContact O-CB 3.33Å; W16-D20 PolarHBondContact O-N 3.29Å |
| 17 | L | 92.7 | Very high | 91.5 | Very high | 80 Ų | 80 | 89.4 Ų | 89.4 | 42% | 0.419 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 176.6 | -74.6 | 170.6 | 0 | 0 | 0 | 112.3 | A13 V14 R19 D20 R21 | A13-L17 WeakPolarHBondContact O-CB 3.28Å; A13-L17 VanDerWaalsContact O-CG 3.29Å; A13-L17 WeakPolarHBondContact O-CG 3.44Å; A13-L17 PolarHBondContact O-N 2.91Å; V14-L17 PolarHBondContact O-N 2.9Å; L17-R19 VanDerWaalsContact C-N 3.33Å; L17-D20 PolarHBondContact O-N 3.09Å; L17-R21 VanDerWaalsContact O-CG 3.31Å; L17-R21 WeakPolarHBondContact O-CG 3.31Å; L17-R21 PolarHBondContact O-N 2.87Å; L17-R21 VanDerWaalsContact O-N 3.09Å |
| 18 | L | 93.8 | Very high | 91 | Very high | 98 Ų | 98 | 88.5 Ų | 88.5 | 51% | 0.513 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 176.5 | -71.1 | 173.9 | 0 | 0 | 0 | 111.4 | V14 L15 Q22 | V14-L18 HydrophobicContact CG1-CD1 4.02Å; V14-L18 HydrophobicContact CG1-CG 4.41Å; V14-L18 WeakPolarHBondContact O-CG 3.3Å; V14-L18 PolarHBondContact O-N 3.41Å; L15-L18 PolarHBondContact O-N 3.41Å; L18-Q22 WeakPolarHBondContact O-CG 3.46Å |
| 19 | R | 93.5 | Very high | 91 | Very high | 141 Ų | 141 | 87.7 Ų | 87.7 | 53% | 0.532 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 176.6 | 178.2 | -179.7 | 172.3 | 154.6 | -1.8 | 112 | L15 W16 L17 R21 Q22 H276 | L15-R19 VanDerWaalsContact O-CB 3.26Å; L15-R19 WeakPolarHBondContact O-CB 3.33Å; L15-R19 PolarHBondContact O-N 2.93Å; W16-R19 PolarHBondContact O-N 3.29Å; L17-R19 VanDerWaalsContact C-N 3.33Å; R19-R21 VanDerWaalsContact C-N 3.33Å; R19-Q22 PolarHBondContact O-N 3.23Å; R19-H276 HydrophobicContact CG-CB 4.15Å |
| 20 | D | 93.1 | Very high | 91.1 | Very high | 19 Ų | 19 | 85.9 Ų | 85.9 | 10% | 0.102 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -66.3 | -35.6 | -178.1 | -169.7 | 74.5 | 0 | 0 | 0 | 111.9 | W16 L17 Q22 H270 R278 | W16-D20 VanDerWaalsContact O-CB 3.3Å; W16-D20 WeakPolarHBondContact O-CB 3.33Å; W16-D20 PolarHBondContact O-N 3.29Å; L17-D20 PolarHBondContact O-N 3.09Å; D20-Q22 PolarHBondContact O-N 3.4Å; D20-H270 PolarHBondContact O-NE2 2.77Å; D20-H270 IonicContact OD1-CE1 3.05Å; D20-H270 PolarHBondContact OD1-CE1 3.24Å; D20-H270 IonicContact OD1-NE2 3.77Å; D20-H270 IonicContact OD2-CE1 3.6Å; D20-H270 IonicContact OD2-NE2 3.18Å; D20-R278 VanDerWaalsContact CG-NH2 3.26Å; D20-R278 IonicContact OD1-CZ 3.8Å; D20-R278 IonicContact OD1-NE 2.73Å; D20-R278 PolarHBondContact OD1-NE 3.39Å; D20-R278 IonicContact OD1-NH2 3.87Å; D20-R278 PolarHBondContact OD1-NH2 3.3Å; D20-R278 IonicContact OD2-CZ 3.44Å; D20-R278 IonicContact OD2-NE 3.5Å; D20-R278 IonicContact OD2-NH2 3.4Å; D20-R278 PolarHBondContact OD2-NH2 3.39Å |
| 21 | R | 92.1 | Very high | 91.3 | Very high | 197 Ų | 197 | 80.6 Ų | 80.6 | 74% | 0.743 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -12.1 | 176.5 | -74.3 | 178.1 | 178.3 | -173 | 0.3 | 115 | L17 R19 S23 | L17-R21 VanDerWaalsContact O-CG 3.31Å; L17-R21 WeakPolarHBondContact O-CG 3.31Å; L17-R21 PolarHBondContact O-N 2.87Å; L17-R21 VanDerWaalsContact O-N 3.09Å; R19-R21 VanDerWaalsContact C-N 3.33Å; R21-S23 PolarHBondContact O-N 2.73Å |
| 22 | Q | 93.8 | Very high | 91.4 | Very high | 77 Ų | 77 | 75.7 Ų | 75.7 | 36% | 0.36 | 39% | 0.39 | S | S | . | . | trans | -72.4 | 120 | 179.3 | -62.9 | -175.2 | 15.4 | 0 | 0 | 109.9 | L18 R19 D20 A274 R275 | L18-Q22 WeakPolarHBondContact O-CG 3.46Å; R19-Q22 PolarHBondContact O-N 3.23Å; D20-Q22 PolarHBondContact O-N 3.4Å; Q22-A274 CarbonylContact O-C 3.58Å; Q22-A274 WeakPolarHBondContact O-CA 3.47Å; Q22-R275 HydrophobicContact CB-CB 3.94Å; Q22-R275 PolarHBondContact O-N 3.22Å | ||
| 23 | S | 91.6 | Very high | 91.5 | Very high | 80 Ų | 80 | 67.4 Ų | 67.4 | 56% | 0.559 | 36% | 0.359 | S | S | * | . | B | Isolated β-bridge | trans | -110.2 | 155 | 174.4 | 64.8 | 0 | 0 | 0 | 0 | 111.5 | R21 T273 | R21-S23 PolarHBondContact O-N 2.73Å; S23-T273 CarbonylContact C-O 3.55Å; S23-T273 WeakPolarHBondContact CA-O 3.41Å |
| 24 | L | 88.5 | Confident | 91.7 | Very high | 61 Ų | 61 | 65.8 Ų | 65.8 | 32% | 0.319 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -68 | 149.2 | 160.8 | -61.6 | -178.8 | 0 | 0 | 0 | 108.6 | F106 T273 R275 | L24-F106 HydrophobicContact CD1-CE2 3.93Å; L24-F106 HydrophobicContact CD1-CZ 3.93Å; L24-T273 WeakPolarHBondContact CB-O 3.35Å; L24-T273 WeakPolarHBondContact CG-O 3.44Å; L24-T273 PolarHBondContact N-O 3.16Å; L24-R275 HydrophobicContact CD2-CG 4.5Å |
| 25 | P | 80.1 | Confident | 91.8 | Very high | 106 Ų | 106 | 63.4 Ų | 63.4 | 69% | 0.688 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 153.1 | 174 | 26.9 | -33.7 | 0 | 0 | 0 | 110.4 | S27 | P25-S27 PolarHBondContact O-N 3.4Š|
| 26 | A | 71.9 | Confident | 92 | Very high | 83 Ų | 83 | 58.6 Ų | 58.6 | 69% | 0.686 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -56 | 132.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 27 | S | 73.9 | Confident | 92.1 | Very high | 40 Ų | 40 | 55.5 Ų | 55.5 | 28% | 0.28 | 30% | 0.3 | S | S | . | . | trans | -135.3 | 148.5 | -171.3 | 63.8 | 0 | 0 | 0 | 0 | 110.2 | P25 A29 | P25-S27 PolarHBondContact O-N 3.4Å; S27-A29 PolarHBondContact O-N 3.47Å; S27-A29 WeakPolarHBondContact OG-CB 3.08Å | ||
| 28 | D | 87.1 | Confident | 92.3 | Very high | 83 Ų | 83 | 54.1 Ų | 54.1 | 44% | 0.444 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -73.6 | 31.9 | 171.2 | -159.3 | 26.9 | 0 | 0 | 0 | 112.1 | R54 | D28-R54 WeakPolarHBondContact O-CD 3.44Å; D28-R54 VanDerWaalsContact OD1-CG 3.24Å; D28-R54 WeakPolarHBondContact OD1-CG 3.24Å; D28-R54 IonicContact OD1-CZ 3.39Å; D28-R54 IonicContact OD1-NE 2.66Å; D28-R54 PolarHBondContact OD1-NE 3.28Å; D28-R54 IonicContact OD1-NH2 3.19Å; D28-R54 IonicContact OD2-CZ 3.26Å; D28-R54 VanDerWaalsContact OD2-CZ 3.27Å; D28-R54 IonicContact OD2-NE 2.87Å; D28-R54 PolarHBondContact OD2-NE 3.26Å; D28-R54 IonicContact OD2-NH2 2.59Å; D28-R54 PolarHBondContact OD2-NH2 2.59Å |
| 29 | A | 95.1 | Very high | 92.4 | Very high | 22 Ų | 22 | 50.3 Ų | 50.3 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | trans | -84.6 | 153.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S27 F53 R54 F106 | S27-A29 PolarHBondContact O-N 3.47Å; S27-A29 WeakPolarHBondContact OG-CB 3.08Å; A29-F53 HydrophobicContact CB-CD1 4.5Å; A29-R54 PolarHBondContact O-N 2.77Å; A29-F106 HydrophobicContact CB-CB 3.66Å; A29-F106 HydrophobicContact CB-CD1 4.12Å; A29-F106 HydrophobicContact CB-CD2 4.31Å; A29-F106 HydrophobicContact CB-CG 3.77Å | ||
| 30 | F | 98.2 | Very high | 92.5 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 9% | 0.088 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 129.9 | -175 | -67.8 | -89.7 | 0 | 0 | 0 | 112.8 | R54 L56 H99 V100 L105 F106 G107 | F30-R54 CarbonylContact C-O 3.57Å; F30-R54 VanDerWaalsContact CA-O 3.29Å; F30-R54 WeakPolarHBondContact CA-O 3.5Å; F30-R54 HydrophobicContact CD1-CB 3.44Å; F30-R54 VanDerWaalsContact CD1-CB 3.44Å; F30-R54 HydrophobicContact CD1-CG 4.36Å; F30-R54 HydrophobicContact CE1-CB 3.63Å; F30-R54 HydrophobicContact CE1-CG 4.15Å; F30-R54 HydrophobicContact CG-CB 4Å; F30-R54 HydrophobicContact CZ-CB 4.32Å; F30-R54 HydrophobicContact CZ-CG 4.41Å; F30-L56 HydrophobicContact CB-CD1 4.5Å; F30-L56 HydrophobicContact CD1-CD1 4Å; F30-L56 HydrophobicContact CD1-CD2 4.31Å; F30-L56 HydrophobicContact CD1-CG 4.1Å; F30-H99 HydrophobicContact CD1-CB 4.48Å; F30-H99 HydrophobicContact CE1-CB 4.05Å; F30-H99 WeakPolarHBondContact CZ-O 3.46Å; F30-V100 HydrophobicContact CB-CG1 3.55Å; F30-V100 HydrophobicContact CD1-CG1 4.07Å; F30-V100 HydrophobicContact CD2-CB 4.16Å; F30-V100 HydrophobicContact CD2-CG1 3.96Å; F30-V100 HydrophobicContact CG-CB 4.32Å; F30-V100 HydrophobicContact CG-CG1 3.61Å; F30-L105 HydrophobicContact CB-CD1 4.29Å; F30-F106 WeakPolarHBondContact O-CB 3.47Å; F30-F106 PolarHBondContact O-N 2.72Å; F30-G107 PolarHBondContact O-N 3.1Å; F30-G107 VanDerWaalsContact O-N 3.16Å |
| 31 | V | 98.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 122.4 | 173.3 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | I33 L48 F53 R54 L56 F106 G107 V109 L272 | V31-I33 HydrophobicContact CG1-CG1 3.97Å; V31-L48 HydrophobicContact CB-CD1 4.19Å; V31-L48 HydrophobicContact CG1-CD1 3.88Å; V31-L48 HydrophobicContact CG2-CD1 4.32Å; V31-F53 HydrophobicContact CG2-CD1 3.97Å; V31-R54 PolarHBondContact N-O 2.72Å; V31-L56 PolarHBondContact O-N 3.01Å; V31-F106 HydrophobicContact CG2-CD1 4.09Å; V31-G107 CarbonylContact C-O 3.41Å; V31-G107 WeakPolarHBondContact CA-O 3.48Å; V31-V109 HydrophobicContact CG1-CG2 4.23Å; V31-L272 HydrophobicContact CG1-CD1 4Å; V31-L272 HydrophobicContact CG1-CD2 4.22Å; V31-L272 HydrophobicContact CG2-CD1 4.47Å |
| 32 | F | 98.9 | Very high | 93 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 128.7 | 172.7 | -172.6 | -111.9 | 0 | 0 | 0 | 110.4 | T34 L56 T79 L81 A92 W95 V96 L105 G107 L108 V109 V143 L147 | F32-T34 HydrophobicContact CD1-CG2 4.26Å; F32-T34 HydrophobicContact CE1-CG2 3.7Å; F32-T34 HydrophobicContact CZ-CG2 4.45Å; F32-L56 VanDerWaalsContact CA-O 3.26Å; F32-L56 WeakPolarHBondContact CA-O 3.46Å; F32-L56 HydrophobicContact CB-CB 4.42Å; F32-L56 HydrophobicContact CD2-CB 3.71Å; F32-L56 WeakPolarHBondContact CD2-O 3.49Å; F32-T79 HydrophobicContact CE2-CG2 4.16Å; F32-L81 HydrophobicContact CE1-CD2 4.09Å; F32-L81 HydrophobicContact CZ-CD2 3.88Å; F32-A92 HydrophobicContact CZ-CB 4.44Å; F32-W95 HydrophobicContact CE2-CZ3 4.36Å; F32-V96 HydrophobicContact CB-CG2 4.46Å; F32-V96 HydrophobicContact CD2-CG2 3.41Å; F32-V96 VanDerWaalsContact CD2-CG2 3.41Å; F32-V96 HydrophobicContact CE2-CG2 3.64Å; F32-V96 HydrophobicContact CG-CG2 3.9Å; F32-V96 HydrophobicContact CZ-CG2 4.29Å; F32-L105 HydrophobicContact CB-CD1 3.89Å; F32-L105 HydrophobicContact CB-CD2 4.07Å; F32-G107 PolarHBondContact N-O 3.5Å; F32-L108 HydrophobicContact CB-CD1 4.45Å; F32-L108 HydrophobicContact CD1-CD1 3.68Å; F32-L108 CarbonylContact O-C 3.56Å; F32-L108 WeakPolarHBondContact O-CA 3.24Å; F32-V109 PolarHBondContact O-N 3.04Å; F32-V143 HydrophobicContact CE1-CG1 4.18Å; F32-L147 HydrophobicContact CD1-CD1 3.5Å; F32-L147 VanDerWaalsContact CD1-CD1 3.5Å; F32-L147 HydrophobicContact CE1-CD1 3.91Å; F32-L147 HydrophobicContact CG-CD1 4.24Å |
| 33 | I | 98.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 128.5 | -178.5 | -50.4 | 170.1 | 0 | 0 | 0 | 108.5 | V31 C36 L44 A45 L48 V55 L56 S58 V109 N111 | V31-I33 HydrophobicContact CG1-CG1 3.97Å; I33-C36 VanDerWaalsContact CB-SG 3.59Å; I33-C36 WeakPolarHBondContact CG2-SG 3.42Å; I33-C36 PolarHBondContact O-SG 2.57Å; I33-L44 HydrophobicContact CD1-CB 4.39Å; I33-L44 HydrophobicContact CD1-CD2 3.96Å; I33-L44 HydrophobicContact CD1-CG 3.97Å; I33-L44 HydrophobicContact CG1-CD2 4.42Å; I33-A45 HydrophobicContact CD1-CB 3.94Å; I33-L48 HydrophobicContact CD1-CD1 4.12Å; I33-V55 HydrophobicContact CD1-CG1 3.9Å; I33-L56 PolarHBondContact N-O 2.75Å; I33-S58 PolarHBondContact O-N 3.04Å; I33-V109 HydrophobicContact CB-CB 4.44Å; I33-V109 HydrophobicContact CG1-CB 4.22Å; I33-V109 HydrophobicContact CG1-CG2 4.37Å; I33-V109 HydrophobicContact CG2-CB 4.15Å; I33-V109 HydrophobicContact CG2-CG1 4.37Å; I33-N111 HydrophobicContact CG2-CB 4.43Å |
| 34 | T | 98.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -92 | 142.9 | 175.6 | 66 | 0 | 0 | 0 | 0 | 112.6 | F32 S58 L81 I83 V109 N111 A112 V143 | F32-T34 HydrophobicContact CD1-CG2 4.26Å; F32-T34 HydrophobicContact CE1-CG2 3.7Å; F32-T34 HydrophobicContact CZ-CG2 4.45Å; T34-S58 WeakPolarHBondContact CA-OG 3.45Å; T34-L81 HydrophobicContact CG2-CD2 3.98Å; T34-I83 HydrophobicContact CG2-CG2 4.49Å; T34-V109 PolarHBondContact N-O 3.33Å; T34-N111 WeakPolarHBondContact O-CB 3.34Å; T34-N111 PolarHBondContact O-ND2 3.12Å; T34-N111 PolarHBondContact OG1-N 3.46Å; T34-A112 PolarHBondContact O-N 3.08Å; T34-A112 PolarHBondContact OG1-N 2.81Å; T34-A112 VanDerWaalsContact OG1-N 3.16Å; T34-V143 HydrophobicContact CG2-CG1 4.06Å; T34-V143 HydrophobicContact CG2-CG2 4.5Å |
| 35 | G | 98.1 | Very high | 94 | Very high | 17 Ų | 17 | 29.5 Ų | 29.5 | 18% | 0.175 | 19% | 0.187 | C | C | . | . | trans | 74.7 | 50.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S58 N111 | G35-S58 PolarHBondContact N-O 3.11Å; G35-N111 PolarHBondContact O-ND2 3.16Å | ||
| 36 | C | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 7.9 | -175.9 | -66 | 0 | 0 | 0 | 0 | 114.6 | I33 S38 R42 A57 S58 L68 | I33-C36 VanDerWaalsContact CB-SG 3.59Å; I33-C36 WeakPolarHBondContact CG2-SG 3.42Å; I33-C36 PolarHBondContact O-SG 2.57Å; C36-S38 PolarHBondContact O-N 2.73Å; C36-R42 WeakPolarHBondContact O-CB 3.45Å; C36-A57 HydrophobicContact CB-CB 3.93Å; C36-S58 WeakPolarHBondContact CB-O 3.14Å; C36-S58 PolarHBondContact N-O 3.47Å; C36-L68 HydrophobicContact CB-CD2 3.65Å |
| 37 | D | 97.6 | Very high | 96.1 | Very high | 38 Ų | 38 | 23.8 Ų | 23.8 | 20% | 0.203 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -37.1 | 176.6 | -54.2 | -111 | 0 | 0 | 0 | 111.3 | C59 L60 T61 | D37-C59 VanDerWaalsContact OD2-CA 3.25Å; D37-C59 WeakPolarHBondContact OD2-CA 3.28Å; D37-L60 PolarHBondContact OD1-N 3.16Å; D37-L60 PolarHBondContact OD2-N 3.18Å; D37-T61 WeakPolarHBondContact OD1-CB 3.34Å; D37-T61 PolarHBondContact OD1-N 2.89Å; D37-T61 PolarHBondContact OD1-OG1 3.43Å |
| 38 | S | 95.7 | Very high | 97.1 | Very high | 51 Ų | 51 | 21.9 Ų | 21.9 | 36% | 0.357 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -160.6 | -176 | -175.2 | 62.8 | 0 | 0 | 0 | 0 | 112.7 | C36 R42 P211 | C36-S38 PolarHBondContact O-N 2.73Å; S38-R42 PolarHBondContact O-N 3.04Å; S38-P211 WeakPolarHBondContact OG-CG 3.46Å |
| 39 | G | 95.7 | Very high | 97.6 | Very high | 19 Ų | 19 | 18.5 Ų | 18.5 | 20% | 0.196 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | 61 | -139.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L43 | G39-L43 WeakPolarHBondContact O-CB 3.47Å; G39-L43 PolarHBondContact O-N 3.06Å; G39-L43 VanDerWaalsContact O-N 3.12Å |
| 40 | F | 97.3 | Very high | 97.6 | Very high | 24 Ų | 24 | 25.4 Ų | 25.4 | 11% | 0.105 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.1 | -41.5 | -175.7 | -56.4 | -48.1 | 0 | 0 | 0 | 113.1 | L43 L44 P205 F208 T210 L261 V264 | F40-L43 PolarHBondContact O-N 3.33Å; F40-L44 VanDerWaalsContact O-CB 3.32Å; F40-L44 WeakPolarHBondContact O-CB 3.27Å; F40-L44 PolarHBondContact O-N 3.1Å; F40-P205 HydrophobicContact CE2-CG 4.38Å; F40-F208 HydrophobicContact CE1-CB 4.13Å; F40-F208 HydrophobicContact CE1-CG 4.22Å; F40-F208 HydrophobicContact CZ-CB 3.66Å; F40-F208 HydrophobicContact CZ-CD2 4.05Å; F40-F208 AromaticContact CZ-CG 3.88Å; F40-F208 HydrophobicContact CZ-CG 3.88Å; F40-T210 HydrophobicContact CD1-CG2 4.4Å; F40-T210 HydrophobicContact CD2-CG2 4.42Å; F40-T210 HydrophobicContact CE1-CG2 3.95Å; F40-T210 HydrophobicContact CE2-CG2 3.96Å; F40-T210 HydrophobicContact CZ-CG2 3.71Å; F40-L261 HydrophobicContact CD1-CB 4.18Å; F40-L261 HydrophobicContact CD1-CD2 4.36Å; F40-L261 HydrophobicContact CE1-CB 4.07Å; F40-L261 HydrophobicContact CE1-CD2 3.64Å; F40-L261 HydrophobicContact CE1-CG 4.3Å; F40-L261 HydrophobicContact CZ-CD2 4.39Å; F40-V264 HydrophobicContact CD1-CB 3.73Å; F40-V264 HydrophobicContact CD1-CG1 3.81Å; F40-V264 HydrophobicContact CD1-CG2 4.12Å; F40-V264 HydrophobicContact CD2-CG1 4.16Å; F40-V264 HydrophobicContact CE1-CB 3.57Å; F40-V264 HydrophobicContact CE1-CG1 3.9Å; F40-V264 HydrophobicContact CE1-CG2 3.41Å; F40-V264 VanDerWaalsContact CE1-CG2 3.41Å; F40-V264 HydrophobicContact CE2-CG1 4.25Å; F40-V264 HydrophobicContact CE2-CG2 4.45Å; F40-V264 HydrophobicContact CG-CB 4.37Å; F40-V264 HydrophobicContact CG-CG1 3.94Å; F40-V264 HydrophobicContact CZ-CB 4.1Å; F40-V264 HydrophobicContact CZ-CG1 4.12Å; F40-V264 HydrophobicContact CZ-CG2 3.61Å |
| 41 | G | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.5 | -50.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L43 L44 A45 N111 | G41-L43 PolarHBondContact O-N 3.22Å; G41-L44 PolarHBondContact O-N 3.05Å; G41-A45 VanDerWaalsContact O-CB 3.32Å; G41-A45 WeakPolarHBondContact O-CB 3.04Å; G41-A45 PolarHBondContact O-N 2.9Å; G41-N111 WeakPolarHBondContact CA-ND2 3.25Å; G41-N111 PolarHBondContact N-OD1 3.37Å |
| 42 | R | 98.1 | Very high | 97.1 | Very high | 57 Ų | 57 | 32 Ų | 32 | 22% | 0.215 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 177 | -169 | -179.4 | 176.4 | 88.4 | 2.9 | 112 | C36 S38 A45 L46 D67 L68 | C36-R42 WeakPolarHBondContact O-CB 3.45Å; S38-R42 PolarHBondContact O-N 3.04Å; R42-A45 PolarHBondContact O-N 3.07Å; R42-L46 HydrophobicContact CG-CD1 4.38Å; R42-L46 WeakPolarHBondContact O-CG 3.12Å; R42-L46 PolarHBondContact O-N 3.19Å; R42-L46 VanDerWaalsContact O-N 3.16Å; R42-D67 PolarHBondContact NH2-O 3.37Å; R42-L68 HydrophobicContact CG-CD1 4.13Å |
| 43 | L | 97.8 | Very high | 97 | Very high | 57 Ų | 57 | 32.2 Ų | 32.2 | 30% | 0.298 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.3 | -46.5 | -179.5 | 179.5 | 62 | 0 | 0 | 0 | 111.5 | G39 F40 G41 Q47 L261 | G39-L43 WeakPolarHBondContact O-CB 3.47Å; G39-L43 PolarHBondContact O-N 3.06Å; G39-L43 VanDerWaalsContact O-N 3.12Å; F40-L43 PolarHBondContact O-N 3.33Å; G41-L43 PolarHBondContact O-N 3.22Å; L43-Q47 VanDerWaalsContact O-CB 3.29Å; L43-Q47 WeakPolarHBondContact O-CB 3.48Å; L43-Q47 PolarHBondContact O-N 3.36Å; L43-L261 HydrophobicContact CD2-CB 3.71Å |
| 44 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.3 | -43 | 177.7 | -179.3 | 66.3 | 0 | 0 | 0 | 111.4 | I33 F40 G41 L46 Q47 L48 V109 L268 | I33-L44 HydrophobicContact CD1-CB 4.39Å; I33-L44 HydrophobicContact CD1-CD2 3.96Å; I33-L44 HydrophobicContact CD1-CG 3.97Å; I33-L44 HydrophobicContact CG1-CD2 4.42Å; F40-L44 VanDerWaalsContact O-CB 3.32Å; F40-L44 WeakPolarHBondContact O-CB 3.27Å; F40-L44 PolarHBondContact O-N 3.1Å; G41-L44 PolarHBondContact O-N 3.05Å; L44-L46 PolarHBondContact O-N 3.31Å; L44-Q47 PolarHBondContact O-N 2.97Å; L44-L48 HydrophobicContact CD1-CD1 3.97Å; L44-L48 HydrophobicContact CD1-CD2 4.31Å; L44-L48 HydrophobicContact CD1-CG 3.87Å; L44-L48 HydrophobicContact CD2-CD1 4.36Å; L44-L48 HydrophobicContact CG-CD1 3.87Å; L44-L48 HydrophobicContact CG-CG 4.14Å; L44-L48 WeakPolarHBondContact O-CB 3.25Å; L44-L48 WeakPolarHBondContact O-CG 3.27Å; L44-L48 PolarHBondContact O-N 3.14Å; L44-V109 HydrophobicContact CD2-CB 4.32Å; L44-V109 HydrophobicContact CD2-CG1 3.96Å; L44-V109 HydrophobicContact CD2-CG2 3.94Å; L44-L268 HydrophobicContact CD1-CB 3.9Å; L44-L268 HydrophobicContact CD2-CB 3.87Å; L44-L268 HydrophobicContact CD2-CD1 4.01Å; L44-L268 HydrophobicContact CD2-CG 4.43Å; L44-L268 HydrophobicContact CG-CB 4.48Å |
| 45 | A | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.6 | -48.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I33 G41 R42 L48 D49 V55 A57 L68 L76 | I33-A45 HydrophobicContact CD1-CB 3.94Å; G41-A45 VanDerWaalsContact O-CB 3.32Å; G41-A45 WeakPolarHBondContact O-CB 3.04Å; G41-A45 PolarHBondContact O-N 2.9Å; R42-A45 PolarHBondContact O-N 3.07Å; A45-L48 PolarHBondContact O-N 3.02Å; A45-D49 WeakPolarHBondContact O-CB 3.33Å; A45-D49 PolarHBondContact O-N 2.86Å; A45-V55 HydrophobicContact CB-CG1 3.94Å; A45-A57 HydrophobicContact CB-CB 4.4Å; A45-L68 HydrophobicContact CB-CD2 4.34Å; A45-L76 HydrophobicContact CB-CD1 3.95Å |
| 46 | L | 98 | Very high | 96.9 | Very high | 38 Ų | 38 | 35.8 Ų | 35.8 | 20% | 0.199 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.8 | -37.9 | 177.3 | -65.6 | 173.7 | 0 | 0 | 0 | 112.6 | R42 L44 D49 Q50 L68 V71 A72 | R42-L46 HydrophobicContact CG-CD1 4.38Å; R42-L46 WeakPolarHBondContact O-CG 3.12Å; R42-L46 PolarHBondContact O-N 3.19Å; R42-L46 VanDerWaalsContact O-N 3.16Å; L44-L46 PolarHBondContact O-N 3.31Å; L46-D49 PolarHBondContact O-N 2.89Å; L46-Q50 VanDerWaalsContact O-CG 3.3Å; L46-Q50 WeakPolarHBondContact O-CG 3.46Å; L46-Q50 PolarHBondContact O-N 2.88Å; L46-L68 HydrophobicContact CD1-CD1 4.45Å; L46-L68 HydrophobicContact CD2-CD1 3.72Å; L46-L68 HydrophobicContact CG-CD1 3.93Å; L46-V71 HydrophobicContact CD1-CG2 4.38Å; L46-V71 HydrophobicContact CD2-CG2 3.93Å; L46-A72 HydrophobicContact CD2-CB 4.16Å |
| 47 | Q | 96.7 | Very high | 97 | Very high | 31 Ų | 31 | 35.8 Ų | 35.8 | 15% | 0.145 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 177.5 | -178.2 | 177.2 | -38.1 | 0 | 0 | 111.8 | L43 L44 Q50 R51 S265 E269 | L43-Q47 VanDerWaalsContact O-CB 3.29Å; L43-Q47 WeakPolarHBondContact O-CB 3.48Å; L43-Q47 PolarHBondContact O-N 3.36Å; L44-Q47 PolarHBondContact O-N 2.97Å; Q47-Q50 PolarHBondContact O-N 2.95Å; Q47-R51 WeakPolarHBondContact O-CG 3.43Å; Q47-R51 PolarHBondContact O-N 3.33Å; Q47-R51 VanDerWaalsContact O-N 3.1Å; Q47-S265 PolarHBondContact OE1-OG 3.03Å; Q47-E269 PolarHBondContact NE2-OE2 2.92Å |
| 48 | L | 96.8 | Very high | 97 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -71.1 | -37.1 | 178.1 | -68.4 | -179.6 | 0 | 0 | 0 | 112.1 | V31 I33 L44 A45 Q50 R51 G52 F53 V55 E269 L272 | V31-L48 HydrophobicContact CB-CD1 4.19Å; V31-L48 HydrophobicContact CG1-CD1 3.88Å; V31-L48 HydrophobicContact CG2-CD1 4.32Å; I33-L48 HydrophobicContact CD1-CD1 4.12Å; L44-L48 HydrophobicContact CD1-CD1 3.97Å; L44-L48 HydrophobicContact CD1-CD2 4.31Å; L44-L48 HydrophobicContact CD1-CG 3.87Å; L44-L48 HydrophobicContact CD2-CD1 4.36Å; L44-L48 HydrophobicContact CG-CD1 3.87Å; L44-L48 HydrophobicContact CG-CG 4.14Å; L44-L48 WeakPolarHBondContact O-CB 3.25Å; L44-L48 WeakPolarHBondContact O-CG 3.27Å; L44-L48 PolarHBondContact O-N 3.14Å; A45-L48 PolarHBondContact O-N 3.02Å; L48-Q50 VanDerWaalsContact C-N 3.35Å; L48-R51 CarbonylContact O-C 3.56Å; L48-R51 PolarHBondContact O-N 3.43Å; L48-R51 VanDerWaalsContact O-N 3.13Å; L48-G52 PolarHBondContact O-N 3.26Å; L48-F53 HydrophobicContact CB-CB 4.12Å; L48-F53 HydrophobicContact CB-CD2 4.22Å; L48-F53 HydrophobicContact CB-CG 4.43Å; L48-F53 HydrophobicContact CD2-CD2 3.81Å; L48-F53 HydrophobicContact CD2-CE2 4.05Å; L48-F53 HydrophobicContact CD2-CG 4.44Å; L48-F53 WeakPolarHBondContact O-CB 3.17Å; L48-F53 PolarHBondContact O-N 2.99Å; L48-V55 HydrophobicContact CB-CG2 3.65Å; L48-E269 HydrophobicContact CD2-CG 4.45Å; L48-L272 HydrophobicContact CD1-CD1 3.53Å; L48-L272 HydrophobicContact CD2-CD1 4.11Å; L48-L272 HydrophobicContact CG-CD1 4.44Å |
| 49 | D | 96.5 | Very high | 97.2 | Very high | 12 Ų | 12 | 31.6 Ų | 31.6 | 6% | 0.064 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.1 | -47 | 173 | -179.1 | 43.6 | 0 | 0 | 0 | 111.1 | A45 L46 R51 G52 V55 S73 L76 | A45-D49 WeakPolarHBondContact O-CB 3.33Å; A45-D49 PolarHBondContact O-N 2.86Å; L46-D49 PolarHBondContact O-N 2.89Å; D49-R51 VanDerWaalsContact C-N 3.27Å; D49-R51 PolarHBondContact O-N 2.84Å; D49-G52 PolarHBondContact O-N 2.69Å; D49-V55 HydrophobicContact CB-CG2 4.35Å; D49-S73 WeakPolarHBondContact OD1-CB 3.48Å; D49-S73 PolarHBondContact OD1-OG 3.25Å; D49-S73 WeakPolarHBondContact OD2-CB 3.43Å; D49-S73 PolarHBondContact OD2-N 3.49Å; D49-S73 PolarHBondContact OD2-OG 3.4Å; D49-L76 HydrophobicContact CB-CB 4.41Å; D49-L76 HydrophobicContact CB-CD1 4.27Å |
| 50 | Q | 94.5 | Very high | 97.3 | Very high | 166 Ų | 166 | 35.8 Ų | 35.8 | 78% | 0.776 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -64.3 | -29.2 | 174.9 | -71.5 | 174.6 | 5.4 | 0 | 0 | 113.6 | L46 Q47 L48 G52 | L46-Q50 VanDerWaalsContact O-CG 3.3Å; L46-Q50 WeakPolarHBondContact O-CG 3.46Å; L46-Q50 PolarHBondContact O-N 2.88Å; Q47-Q50 PolarHBondContact O-N 2.95Å; L48-Q50 VanDerWaalsContact C-N 3.35Å; Q50-G52 PolarHBondContact O-N 2.75Å |
| 51 | R | 92.9 | Very high | 97.3 | Very high | 141 Ų | 141 | 37.1 Ų | 37.1 | 53% | 0.532 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -4.4 | 175.4 | -68.8 | -97.4 | 179.9 | 132.8 | 4 | 113 | Q47 L48 D49 F53 E269 | Q47-R51 WeakPolarHBondContact O-CG 3.43Å; Q47-R51 PolarHBondContact O-N 3.33Å; Q47-R51 VanDerWaalsContact O-N 3.1Å; L48-R51 CarbonylContact O-C 3.56Å; L48-R51 PolarHBondContact O-N 3.43Å; L48-R51 VanDerWaalsContact O-N 3.13Å; D49-R51 VanDerWaalsContact C-N 3.27Å; D49-R51 PolarHBondContact O-N 2.84Å; R51-F53 HydrophobicContact CB-CD2 3.96Å; R51-F53 HydrophobicContact CB-CE2 4.19Å; R51-E269 WeakPolarHBondContact CD-OE1 3.47Å; R51-E269 WeakPolarHBondContact CG-OE1 3.47Å; R51-E269 IonicContact CZ-OE1 2.97Å; R51-E269 IonicContact CZ-OE2 3.75Å; R51-E269 IonicContact NE-OE1 2.58Å; R51-E269 PolarHBondContact NE-OE1 3.12Å; R51-E269 VanDerWaalsContact NE-OE1 3.1Å; R51-E269 IonicContact NE-OE2 2.84Å; R51-E269 IonicContact NH1-OE1 2.72Å; R51-E269 PolarHBondContact NH1-OE1 3.37Å; R51-E269 IonicContact NH1-OE2 3.27Å; R51-E269 PolarHBondContact NH1-OE2 3.43Å; R51-E269 IonicContact NH2-OE1 3.27Å; R51-E269 IonicContact NH2-OE2 3.71Å; R51-E269 PolarHBondContact NH2-OE2 3.35Å |
| 52 | G | 93.9 | Very high | 97.3 | Very high | 19 Ų | 19 | 40.7 Ų | 40.7 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | 11.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L48 D49 Q50 | L48-G52 PolarHBondContact O-N 3.26Å; D49-G52 PolarHBondContact O-N 2.69Å; Q50-G52 PolarHBondContact O-N 2.75Å |
| 53 | F | 96.5 | Very high | 97.3 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 2% | 0.022 | 21% | 0.211 | C | C | . | . | trans | -73.1 | 157.8 | 171.4 | -73.1 | -88.7 | 0 | 0 | 0 | 111.3 | A29 V31 L48 R51 V55 R75 F106 T273 | A29-F53 HydrophobicContact CB-CD1 4.5Å; V31-F53 HydrophobicContact CG2-CD1 3.97Å; L48-F53 HydrophobicContact CB-CB 4.12Å; L48-F53 HydrophobicContact CB-CD2 4.22Å; L48-F53 HydrophobicContact CB-CG 4.43Å; L48-F53 HydrophobicContact CD2-CD2 3.81Å; L48-F53 HydrophobicContact CD2-CE2 4.05Å; L48-F53 HydrophobicContact CD2-CG 4.44Å; L48-F53 WeakPolarHBondContact O-CB 3.17Å; L48-F53 PolarHBondContact O-N 2.99Å; R51-F53 HydrophobicContact CB-CD2 3.96Å; R51-F53 HydrophobicContact CB-CE2 4.19Å; F53-V55 HydrophobicContact CB-CG2 4.32Å; F53-R75 WeakPolarHBondContact O-CB 3.14Å; F53-F106 HydrophobicContact CE1-CD1 4.22Å; F53-F106 AromaticContact CE1-CE1 3.93Å; F53-F106 HydrophobicContact CE1-CE1 3.93Å; F53-T273 HydrophobicContact CE2-CG2 4.14Å; F53-T273 HydrophobicContact CZ-CG2 3.76Å | ||
| 54 | R | 97.8 | Very high | 97.2 | Very high | 93 Ų | 93 | 38.8 Ų | 38.8 | 35% | 0.351 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 108.8 | 167.3 | -63.2 | -176.1 | 176.7 | -130.4 | 4.7 | 109.1 | D28 A29 F30 V31 R75 | D28-R54 WeakPolarHBondContact O-CD 3.44Å; D28-R54 VanDerWaalsContact OD1-CG 3.24Å; D28-R54 WeakPolarHBondContact OD1-CG 3.24Å; D28-R54 IonicContact OD1-CZ 3.39Å; D28-R54 IonicContact OD1-NE 2.66Å; D28-R54 PolarHBondContact OD1-NE 3.28Å; D28-R54 IonicContact OD1-NH2 3.19Å; D28-R54 IonicContact OD2-CZ 3.26Å; D28-R54 VanDerWaalsContact OD2-CZ 3.27Å; D28-R54 IonicContact OD2-NE 2.87Å; D28-R54 PolarHBondContact OD2-NE 3.26Å; D28-R54 IonicContact OD2-NH2 2.59Å; D28-R54 PolarHBondContact OD2-NH2 2.59Å; A29-R54 PolarHBondContact O-N 2.77Å; F30-R54 CarbonylContact C-O 3.57Å; F30-R54 VanDerWaalsContact CA-O 3.29Å; F30-R54 WeakPolarHBondContact CA-O 3.5Å; F30-R54 HydrophobicContact CD1-CB 3.44Å; F30-R54 VanDerWaalsContact CD1-CB 3.44Å; F30-R54 HydrophobicContact CD1-CG 4.36Å; F30-R54 HydrophobicContact CE1-CB 3.63Å; F30-R54 HydrophobicContact CE1-CG 4.15Å; F30-R54 HydrophobicContact CG-CB 4Å; F30-R54 HydrophobicContact CZ-CB 4.32Å; F30-R54 HydrophobicContact CZ-CG 4.41Å; V31-R54 PolarHBondContact N-O 2.72Å; R54-R75 CarbonylContact C-O 3.51Å; R54-R75 WeakPolarHBondContact CA-O 3.14Å |
| 55 | V | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 121.2 | -172 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | I33 A45 L48 D49 F53 A57 R75 L76 H77 | I33-V55 HydrophobicContact CD1-CG1 3.9Å; A45-V55 HydrophobicContact CB-CG1 3.94Å; L48-V55 HydrophobicContact CB-CG2 3.65Å; D49-V55 HydrophobicContact CB-CG2 4.35Å; F53-V55 HydrophobicContact CB-CG2 4.32Å; V55-A57 HydrophobicContact CG1-CB 4.24Å; V55-R75 PolarHBondContact N-O 3.1Å; V55-L76 HydrophobicContact CB-CB 4.22Å; V55-L76 HydrophobicContact CB-CD1 3.98Å; V55-L76 HydrophobicContact CB-CG 3.92Å; V55-L76 HydrophobicContact CG1-CD1 3.89Å; V55-L76 HydrophobicContact CG1-CG 4.08Å; V55-L76 CarbonylContact O-C 3.52Å; V55-L76 VanDerWaalsContact O-CA 3.28Å; V55-L76 WeakPolarHBondContact O-CA 3.14Å; V55-H77 PolarHBondContact O-N 3.47Å |
| 56 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 95.1 | 173.7 | -60 | -177.5 | 0 | 0 | 0 | 106.9 | F30 V31 F32 I33 H77 W95 V96 H99 V100 | F30-L56 HydrophobicContact CB-CD1 4.5Å; F30-L56 HydrophobicContact CD1-CD1 4Å; F30-L56 HydrophobicContact CD1-CD2 4.31Å; F30-L56 HydrophobicContact CD1-CG 4.1Å; V31-L56 PolarHBondContact O-N 3.01Å; F32-L56 VanDerWaalsContact CA-O 3.26Å; F32-L56 WeakPolarHBondContact CA-O 3.46Å; F32-L56 HydrophobicContact CB-CB 4.42Å; F32-L56 HydrophobicContact CD2-CB 3.71Å; F32-L56 WeakPolarHBondContact CD2-O 3.49Å; I33-L56 PolarHBondContact N-O 2.75Å; L56-H77 HydrophobicContact CD2-CB 4.27Å; L56-W95 HydrophobicContact CB-CH2 4.14Å; L56-W95 HydrophobicContact CB-CZ3 3.8Å; L56-W95 HydrophobicContact CD2-CH2 3.75Å; L56-W95 HydrophobicContact CD2-CZ3 4.02Å; L56-W95 HydrophobicContact CG-CH2 4.47Å; L56-W95 HydrophobicContact CG-CZ3 4.31Å; L56-V96 HydrophobicContact CD1-CB 4.31Å; L56-V96 HydrophobicContact CD1-CG1 3.91Å; L56-V96 HydrophobicContact CD1-CG2 4.16Å; L56-H99 HydrophobicContact CD1-CB 3.91Å; L56-H99 HydrophobicContact CD2-CB 3.95Å; L56-V100 HydrophobicContact CD1-CG1 4.03Å |
| 57 | A | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 119.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | C36 A45 V55 L68 L76 H77 T78 T79 | C36-A57 HydrophobicContact CB-CB 3.93Å; A45-A57 HydrophobicContact CB-CB 4.4Å; V55-A57 HydrophobicContact CG1-CB 4.24Å; A57-L68 HydrophobicContact CB-CD2 3.66Å; A57-L76 HydrophobicContact CB-CD2 4.28Å; A57-H77 PolarHBondContact N-O 3.02Å; A57-T78 HydrophobicContact CB-CG2 4.34Å; A57-T78 CarbonylContact O-C 3.58Å; A57-T78 WeakPolarHBondContact O-CA 3.33Å; A57-T79 PolarHBondContact O-N 3.4Å |
| 58 | S | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 136.2 | 174.2 | 98.5 | 0 | 0 | 0 | 0 | 111.1 | I33 T34 G35 C36 T79 L81 | I33-S58 PolarHBondContact O-N 3.04Å; T34-S58 WeakPolarHBondContact CA-OG 3.45Å; G35-S58 PolarHBondContact N-O 3.11Å; C36-S58 WeakPolarHBondContact CB-O 3.14Å; C36-S58 PolarHBondContact N-O 3.47Å; S58-T79 CarbonylContact C-O 3.56Å; S58-T79 VanDerWaalsContact CA-O 3.3Å; S58-T79 WeakPolarHBondContact CA-O 3.17Å; S58-L81 WeakPolarHBondContact OG-CB 3.37Å; S58-L81 WeakPolarHBondContact OG-CD2 3.43Å |
| 59 | C | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 151.2 | 174 | -62 | 0 | 0 | 0 | 0 | 109.8 | D37 A65 T79 L80 L81 | D37-C59 VanDerWaalsContact OD2-CA 3.25Å; D37-C59 WeakPolarHBondContact OD2-CA 3.28Å; C59-A65 HydrophobicContact CB-CB 3.97Å; C59-T79 PolarHBondContact N-O 3.41Å; C59-L80 CarbonylContact O-C 3.55Å; C59-L80 WeakPolarHBondContact O-CA 3.31Å; C59-L81 PolarHBondContact O-N 2.94Å |
| 60 | L | 97.9 | Very high | 97.3 | Very high | 108 Ų | 108 | 55.3 Ų | 55.3 | 57% | 0.565 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -76 | -33.9 | 173 | -178.2 | 62.7 | 0 | 0 | 0 | 110.9 | D37 D82 | D37-L60 PolarHBondContact OD1-N 3.16Å; D37-L60 PolarHBondContact OD2-N 3.18Å; L60-D82 HydrophobicContact CD1-CB 4.07Å |
| 61 | T | 97.9 | Very high | 97.4 | Very high | 52 Ų | 52 | 51.6 Ų | 51.6 | 32% | 0.319 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -110.7 | 143.3 | -173.4 | 65.8 | 0 | 0 | 0 | 0 | 112.6 | D37 S63 G64 A65 | D37-T61 WeakPolarHBondContact OD1-CB 3.34Å; D37-T61 PolarHBondContact OD1-N 2.89Å; D37-T61 PolarHBondContact OD1-OG1 3.43Å; T61-S63 VanDerWaalsContact C-N 3.33Å; T61-S63 PolarHBondContact O-N 3.11Å; T61-S63 PolarHBondContact OG1-OG 2.7Å; T61-G64 PolarHBondContact O-N 2.91Å; T61-G64 PolarHBondContact OG1-N 2.93Å; T61-G64 VanDerWaalsContact OG1-N 3.11Å; T61-A65 PolarHBondContact O-N 3.37Å; T61-A65 VanDerWaalsContact O-N 3.09Å |
| 62 | P | 97.9 | Very high | 97.6 | Very high | 74 Ų | 74 | 45.8 Ų | 45.8 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.2 | -44.1 | 172.2 | -26.7 | 35.1 | 0 | 0 | 0 | 113.2 | G64 A65 E66 L80 | P62-G64 PolarHBondContact O-N 2.91Å; P62-A65 WeakPolarHBondContact O-CB 3.33Å; P62-A65 PolarHBondContact O-N 3.09Å; P62-E66 WeakPolarHBondContact O-CG 3.36Å; P62-E66 PolarHBondContact O-N 3.41Å; P62-L80 HydrophobicContact CG-CD1 4.17Å; P62-L80 HydrophobicContact CG-CD2 4.28Å |
| 63 | S | 97.7 | Very high | 97.7 | Very high | 68 Ų | 68 | 46.9 Ų | 46.9 | 48% | 0.476 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 177.8 | 52.9 | 0 | 0 | 0 | 0 | 112.1 | T61 A65 E66 D67 | T61-S63 VanDerWaalsContact C-N 3.33Å; T61-S63 PolarHBondContact O-N 3.11Å; T61-S63 PolarHBondContact OG1-OG 2.7Å; S63-A65 VanDerWaalsContact C-N 3.33Å; S63-A65 PolarHBondContact O-N 3.45Å; S63-E66 PolarHBondContact O-N 2.96Å; S63-D67 VanDerWaalsContact O-CB 3.24Å; S63-D67 WeakPolarHBondContact O-CB 3.36Å; S63-D67 VanDerWaalsContact O-CG 3.23Å; S63-D67 PolarHBondContact O-N 3.09Å |
| 64 | G | 97.1 | Very high | 97.7 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 6% | 0.062 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T61 P62 L68 | T61-G64 PolarHBondContact O-N 2.91Å; T61-G64 PolarHBondContact OG1-N 2.93Å; T61-G64 VanDerWaalsContact OG1-N 3.11Å; P62-G64 PolarHBondContact O-N 2.91Å; G64-L68 VanDerWaalsContact O-CB 3.32Å; G64-L68 WeakPolarHBondContact O-CB 3.14Å; G64-L68 PolarHBondContact O-N 3.27Å; G64-L68 VanDerWaalsContact O-N 3.11Å |
| 65 | A | 97.8 | Very high | 97.6 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 7% | 0.066 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.7 | -47.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | C59 T61 P62 S63 L68 Q69 T78 L80 | C59-A65 HydrophobicContact CB-CB 3.97Å; T61-A65 PolarHBondContact O-N 3.37Å; T61-A65 VanDerWaalsContact O-N 3.09Å; P62-A65 WeakPolarHBondContact O-CB 3.33Å; P62-A65 PolarHBondContact O-N 3.09Å; S63-A65 VanDerWaalsContact C-N 3.33Å; S63-A65 PolarHBondContact O-N 3.45Å; A65-L68 PolarHBondContact O-N 3.11Å; A65-Q69 WeakPolarHBondContact O-CB 3.35Å; A65-Q69 PolarHBondContact O-N 3.18Å; A65-T78 WeakPolarHBondContact O-CG2 3.48Å; A65-T78 PolarHBondContact O-OG1 3.45Å; A65-L80 HydrophobicContact CB-CD2 4.35Å |
| 66 | E | 97.9 | Very high | 97.6 | Very high | 119 Ų | 119 | 52.6 Ų | 52.6 | 56% | 0.556 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.9 | -44.7 | 179.8 | -71.9 | 172.4 | -164 | 0 | 0 | 111.8 | P62 S63 L68 Q69 R70 | P62-E66 WeakPolarHBondContact O-CG 3.36Å; P62-E66 PolarHBondContact O-N 3.41Å; S63-E66 PolarHBondContact O-N 2.96Å; E66-L68 VanDerWaalsContact C-N 3.3Å; E66-L68 PolarHBondContact O-N 3.13Å; E66-Q69 PolarHBondContact O-N 2.87Å; E66-R70 WeakPolarHBondContact O-CB 3.29Å; E66-R70 PolarHBondContact O-N 3.12Å |
| 67 | D | 97.8 | Very high | 97.6 | Very high | 66 Ų | 66 | 55.9 Ų | 55.9 | 35% | 0.353 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.8 | -29.8 | 179.5 | -74.2 | -16.5 | 0 | 0 | 0 | 112.6 | R42 S63 R70 | R42-D67 PolarHBondContact NH2-O 3.37Å; S63-D67 VanDerWaalsContact O-CB 3.24Å; S63-D67 WeakPolarHBondContact O-CB 3.36Å; S63-D67 VanDerWaalsContact O-CG 3.23Å; S63-D67 PolarHBondContact O-N 3.09Å; D67-R70 IonicContact OD1-CZ 2.83Å; D67-R70 VanDerWaalsContact OD1-CZ 3.28Å; D67-R70 IonicContact OD1-NH1 3.37Å; D67-R70 PolarHBondContact OD1-NH1 3.04Å; D67-R70 IonicContact OD1-NH2 3.51Å; D67-R70 PolarHBondContact OD1-NH2 3.3Å |
| 68 | L | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -73.6 | -47.3 | 171.8 | 179.5 | 54.5 | 0 | 0 | 0 | 111 | C36 R42 A45 L46 A57 G64 A65 E66 R70 V71 A72 L76 T78 | C36-L68 HydrophobicContact CB-CD2 3.65Å; R42-L68 HydrophobicContact CG-CD1 4.13Å; A45-L68 HydrophobicContact CB-CD2 4.34Å; L46-L68 HydrophobicContact CD1-CD1 4.45Å; L46-L68 HydrophobicContact CD2-CD1 3.72Å; L46-L68 HydrophobicContact CG-CD1 3.93Å; A57-L68 HydrophobicContact CB-CD2 3.66Å; G64-L68 VanDerWaalsContact O-CB 3.32Å; G64-L68 WeakPolarHBondContact O-CB 3.14Å; G64-L68 PolarHBondContact O-N 3.27Å; G64-L68 VanDerWaalsContact O-N 3.11Å; A65-L68 PolarHBondContact O-N 3.11Å; E66-L68 VanDerWaalsContact C-N 3.3Å; E66-L68 PolarHBondContact O-N 3.13Å; L68-R70 VanDerWaalsContact C-N 3.26Å; L68-R70 PolarHBondContact O-N 2.65Å; L68-V71 WeakPolarHBondContact O-CG2 3.28Å; L68-V71 PolarHBondContact O-N 2.94Å; L68-A72 WeakPolarHBondContact O-CB 3.25Å; L68-A72 PolarHBondContact O-N 3.05Å; L68-L76 HydrophobicContact CD1-CD1 4.28Å; L68-L76 HydrophobicContact CD2-CD2 4.28Å; L68-L76 HydrophobicContact CG-CD1 4.4Å; L68-L76 HydrophobicContact CG-CD2 3.95Å; L68-T78 HydrophobicContact CB-CG2 4.13Å; L68-T78 HydrophobicContact CD2-CG2 4.04Å; L68-T78 HydrophobicContact CG-CG2 4.07Å |
| 69 | Q | 96.8 | Very high | 97.6 | Very high | 67 Ų | 67 | 58.5 Ų | 58.5 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60 | -37 | -180 | -169.5 | 65.7 | 60.4 | 0 | 0 | 112 | A65 E66 V71 A72 L76 T78 | A65-Q69 WeakPolarHBondContact O-CB 3.35Å; A65-Q69 PolarHBondContact O-N 3.18Å; E66-Q69 PolarHBondContact O-N 2.87Å; Q69-V71 VanDerWaalsContact C-N 3.28Å; Q69-V71 PolarHBondContact O-N 2.88Å; Q69-A72 PolarHBondContact O-N 2.83Å; Q69-L76 PolarHBondContact NE2-O 3.27Å; Q69-L76 PolarHBondContact OE1-O 2.9Å; Q69-T78 HydrophobicContact CB-CG2 4.21Å; Q69-T78 VanDerWaalsContact OE1-N 3.08Å; Q69-T78 PolarHBondContact OE1-OG1 3.32Å |
| 70 | R | 97.2 | Very high | 97.6 | Very high | 168 Ų | 168 | 62.6 Ų | 62.6 | 63% | 0.634 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -31.2 | -179.1 | -166.6 | -176.5 | -54.6 | 119.7 | 9.3 | 113.8 | E66 D67 L68 | E66-R70 WeakPolarHBondContact O-CB 3.29Å; E66-R70 PolarHBondContact O-N 3.12Å; D67-R70 IonicContact OD1-CZ 2.83Å; D67-R70 VanDerWaalsContact OD1-CZ 3.28Å; D67-R70 IonicContact OD1-NH1 3.37Å; D67-R70 PolarHBondContact OD1-NH1 3.04Å; D67-R70 IonicContact OD1-NH2 3.51Å; D67-R70 PolarHBondContact OD1-NH2 3.3Å; L68-R70 VanDerWaalsContact C-N 3.26Å; L68-R70 PolarHBondContact O-N 2.65Å |
| 71 | V | 97.1 | Very high | 97.6 | Very high | 88 Ų | 88 | 57.8 Ų | 57.8 | 53% | 0.533 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -5.6 | -175.2 | -57.4 | 0 | 0 | 0 | 0 | 113.3 | L46 L68 Q69 | L46-V71 HydrophobicContact CD1-CG2 4.38Å; L46-V71 HydrophobicContact CD2-CG2 3.93Å; L68-V71 WeakPolarHBondContact O-CG2 3.28Å; L68-V71 PolarHBondContact O-N 2.94Å; Q69-V71 VanDerWaalsContact C-N 3.28Å; Q69-V71 PolarHBondContact O-N 2.88Å |
| 72 | A | 96.5 | Very high | 97.7 | Very high | 20 Ų | 20 | 58.2 Ų | 58.2 | 17% | 0.165 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -96.5 | 164.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L46 L68 Q69 L76 | L46-A72 HydrophobicContact CD2-CB 4.16Å; L68-A72 WeakPolarHBondContact O-CB 3.25Å; L68-A72 PolarHBondContact O-N 3.05Å; Q69-A72 PolarHBondContact O-N 2.83Å; A72-L76 HydrophobicContact CB-CB 3.63Å; A72-L76 HydrophobicContact CB-CD1 3.81Å; A72-L76 HydrophobicContact CB-CD2 3.79Å; A72-L76 HydrophobicContact CB-CG 3.94Å |
| 73 | S | 96.9 | Very high | 97.7 | Very high | 42 Ų | 42 | 55.5 Ų | 55.5 | 29% | 0.294 | 29% | 0.294 | S | S | . | . | trans | -77.1 | 177.4 | 174.6 | 95.8 | 0 | 0 | 0 | 0 | 112.2 | D49 R75 L76 | D49-S73 WeakPolarHBondContact OD1-CB 3.48Å; D49-S73 PolarHBondContact OD1-OG 3.25Å; D49-S73 WeakPolarHBondContact OD2-CB 3.43Å; D49-S73 PolarHBondContact OD2-N 3.49Å; D49-S73 PolarHBondContact OD2-OG 3.4Å; S73-R75 PolarHBondContact O-N 2.83Å; S73-R75 VanDerWaalsContact O-N 3.12Å; S73-R75 PolarHBondContact OG-N 2.83Å; S73-R75 VanDerWaalsContact OG-N 3.1Å; S73-L76 PolarHBondContact O-N 3.49Å | ||
| 74 | S | 96.3 | Very high | 97.7 | Very high | 105 Ų | 105 | 55.2 Ų | 55.2 | 73% | 0.734 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -8 | 174.3 | 58 | 0 | 0 | 0 | 0 | 114.6 | H77 | S74-H77 PolarHBondContact O-CE1 2.77Å; S74-H77 PolarHBondContact O-NE2 3.14Å |
| 75 | R | 96.1 | Very high | 97.8 | Very high | 113 Ų | 113 | 57.9 Ų | 57.9 | 43% | 0.426 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -12.7 | 176.5 | -61 | -173 | 177.9 | 96.7 | 1.3 | 113.6 | F53 R54 V55 S73 | F53-R75 WeakPolarHBondContact O-CB 3.14Å; R54-R75 CarbonylContact C-O 3.51Å; R54-R75 WeakPolarHBondContact CA-O 3.14Å; V55-R75 PolarHBondContact N-O 3.1Å; S73-R75 PolarHBondContact O-N 2.83Å; S73-R75 VanDerWaalsContact O-N 3.12Å; S73-R75 PolarHBondContact OG-N 2.83Å; S73-R75 VanDerWaalsContact OG-N 3.1Å |
| 76 | L | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 128.1 | 176.1 | -171.5 | 151.9 | 0 | 0 | 0 | 109.6 | A45 D49 V55 A57 L68 Q69 A72 S73 T78 | A45-L76 HydrophobicContact CB-CD1 3.95Å; D49-L76 HydrophobicContact CB-CB 4.41Å; D49-L76 HydrophobicContact CB-CD1 4.27Å; V55-L76 HydrophobicContact CB-CB 4.22Å; V55-L76 HydrophobicContact CB-CD1 3.98Å; V55-L76 HydrophobicContact CB-CG 3.92Å; V55-L76 HydrophobicContact CG1-CD1 3.89Å; V55-L76 HydrophobicContact CG1-CG 4.08Å; V55-L76 CarbonylContact O-C 3.52Å; V55-L76 VanDerWaalsContact O-CA 3.28Å; V55-L76 WeakPolarHBondContact O-CA 3.14Å; A57-L76 HydrophobicContact CB-CD2 4.28Å; L68-L76 HydrophobicContact CD1-CD1 4.28Å; L68-L76 HydrophobicContact CD2-CD2 4.28Å; L68-L76 HydrophobicContact CG-CD1 4.4Å; L68-L76 HydrophobicContact CG-CD2 3.95Å; Q69-L76 PolarHBondContact NE2-O 3.27Å; Q69-L76 PolarHBondContact OE1-O 2.9Å; A72-L76 HydrophobicContact CB-CB 3.63Å; A72-L76 HydrophobicContact CB-CD1 3.81Å; A72-L76 HydrophobicContact CB-CD2 3.79Å; A72-L76 HydrophobicContact CB-CG 3.94Å; S73-L76 PolarHBondContact O-N 3.49Å; L76-T78 HydrophobicContact CD2-CG2 3.7Å |
| 77 | H | 98.5 | Very high | 97.8 | Very high | 68 Ų | 68 | 63 Ų | 63 | 32% | 0.315 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 139.3 | 173.3 | -58.5 | -62.1 | 0 | 0 | 0 | 110 | V55 L56 A57 S74 W95 H99 | V55-H77 PolarHBondContact O-N 3.47Å; L56-H77 HydrophobicContact CD2-CB 4.27Å; A57-H77 PolarHBondContact N-O 3.02Å; S74-H77 PolarHBondContact O-CE1 2.77Å; S74-H77 PolarHBondContact O-NE2 3.14Å; H77-W95 HydrophobicContact CB-CH2 3.86Å; H77-W95 HydrophobicContact CB-CZ2 3.77Å; H77-H99 AromaticContact CD2-CD2 3.77Å; H77-H99 AromaticContact CD2-NE2 3.97Å |
| 78 | T | 98.6 | Very high | 97.9 | Very high | 31 Ų | 31 | 60.6 Ų | 60.6 | 19% | 0.19 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 149.7 | 178.1 | 60.9 | 0 | 0 | 0 | 0 | 113.1 | A57 A65 L68 Q69 L76 | A57-T78 HydrophobicContact CB-CG2 4.34Å; A57-T78 CarbonylContact O-C 3.58Å; A57-T78 WeakPolarHBondContact O-CA 3.33Å; A65-T78 WeakPolarHBondContact O-CG2 3.48Å; A65-T78 PolarHBondContact O-OG1 3.45Å; L68-T78 HydrophobicContact CB-CG2 4.13Å; L68-T78 HydrophobicContact CD2-CG2 4.04Å; L68-T78 HydrophobicContact CG-CG2 4.07Å; Q69-T78 HydrophobicContact CB-CG2 4.21Å; Q69-T78 VanDerWaalsContact OE1-N 3.08Å; Q69-T78 PolarHBondContact OE1-OG1 3.32Å; L76-T78 HydrophobicContact CD2-CG2 3.7Å |
| 79 | T | 98.4 | Very high | 97.9 | Very high | 26 Ų | 26 | 61.1 Ų | 61.1 | 16% | 0.16 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 157.7 | 171.6 | -167.8 | 0 | 0 | 0 | 0 | 110.6 | F32 A57 S58 C59 W95 | F32-T79 HydrophobicContact CE2-CG2 4.16Å; A57-T79 PolarHBondContact O-N 3.4Å; S58-T79 CarbonylContact C-O 3.56Å; S58-T79 VanDerWaalsContact CA-O 3.3Å; S58-T79 WeakPolarHBondContact CA-O 3.17Å; C59-T79 PolarHBondContact N-O 3.41Å; T79-W95 HydrophobicContact CG2-CD2 4.25Å; T79-W95 HydrophobicContact CG2-CE3 3.66Å; T79-W95 HydrophobicContact CG2-CH2 4.2Å; T79-W95 HydrophobicContact CG2-CZ3 3.6Å |
| 80 | L | 98.7 | Very high | 98 | Very high | 86 Ų | 86 | 62.9 Ų | 62.9 | 45% | 0.45 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 136 | 172.5 | -65.7 | 179.3 | 0 | 0 | 0 | 110.2 | C59 P62 A65 | C59-L80 CarbonylContact O-C 3.55Å; C59-L80 WeakPolarHBondContact O-CA 3.31Å; P62-L80 HydrophobicContact CG-CD1 4.17Å; P62-L80 HydrophobicContact CG-CD2 4.28Å; A65-L80 HydrophobicContact CB-CD2 4.35Å |
| 81 | L | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 61 Ų | 61 | 4% | 0.037 | 33% | 0.331 | C | S | . | . | trans | -148.6 | 116.8 | 175.4 | 177.1 | 57.4 | 0 | 0 | 0 | 111.3 | F32 T34 S58 C59 I83 V89 A92 V143 | F32-L81 HydrophobicContact CE1-CD2 4.09Å; F32-L81 HydrophobicContact CZ-CD2 3.88Å; T34-L81 HydrophobicContact CG2-CD2 3.98Å; S58-L81 WeakPolarHBondContact OG-CB 3.37Å; S58-L81 WeakPolarHBondContact OG-CD2 3.43Å; C59-L81 PolarHBondContact O-N 2.94Å; L81-I83 HydrophobicContact CD1-CG2 4.41Å; L81-I83 HydrophobicContact CD2-CG2 3.73Å; L81-I83 HydrophobicContact CG-CG2 3.75Å; L81-V89 HydrophobicContact CD1-CB 4.43Å; L81-V89 HydrophobicContact CD1-CG2 3.96Å; L81-A92 HydrophobicContact CB-CB 4.46Å; L81-A92 HydrophobicContact CD1-CB 3.89Å; L81-A92 HydrophobicContact CD2-CB 4.29Å; L81-A92 HydrophobicContact CG-CB 4.44Å; L81-V143 HydrophobicContact CD2-CG2 4.24Å | ||
| 82 | D | 98.6 | Very high | 98.1 | Very high | 61 Ų | 61 | 57 Ų | 57 | 33% | 0.326 | 31% | 0.307 | S | S | . | . | trans | -93.6 | 107.2 | 157 | -174.3 | -16.4 | 0 | 0 | 0 | 108.4 | L60 T84 D85 S88 | L60-D82 HydrophobicContact CD1-CB 4.07Å; D82-T84 PolarHBondContact O-N 3.37Å; D82-T84 VanDerWaalsContact O-N 3.13Å; D82-T84 WeakPolarHBondContact OD1-CA 3.45Å; D82-T84 WeakPolarHBondContact OD1-CB 3.44Å; D82-T84 PolarHBondContact OD1-N 3.05Å; D82-T84 PolarHBondContact OD1-OG1 3.44Å; D82-T84 PolarHBondContact OD2-OG1 2.98Å; D82-D85 HydrophobicContact CB-CB 4.32Å; D82-D85 PolarHBondContact O-N 2.75Å; D82-D85 VanDerWaalsContact O-N 3.15Å; D82-S88 PolarHBondContact N-OG 3Å; D82-S88 WeakPolarHBondContact O-CB 3.22Å | ||
| 83 | I | 98.4 | Very high | 98.2 | Very high | 16 Ų | 16 | 56.5 Ų | 56.5 | 8% | 0.082 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -11.4 | -178.9 | 62.4 | 172.1 | 0 | 0 | 0 | 113.6 | T34 L81 A112 V135 G139 V143 | T34-I83 HydrophobicContact CG2-CG2 4.49Å; L81-I83 HydrophobicContact CD1-CG2 4.41Å; L81-I83 HydrophobicContact CD2-CG2 3.73Å; L81-I83 HydrophobicContact CG-CG2 3.75Å; I83-A112 HydrophobicContact CD1-CB 3.73Å; I83-A112 HydrophobicContact CG2-CB 4.46Å; I83-V135 HydrophobicContact CD1-CG1 3.93Å; I83-V135 WeakPolarHBondContact CD1-O 3.32Å; I83-V135 HydrophobicContact CG1-CG1 4.46Å; I83-G139 VanDerWaalsContact O-CA 3.29Å; I83-G139 WeakPolarHBondContact O-CA 3.17Å; I83-V143 HydrophobicContact CB-CG2 4.25Å; I83-V143 HydrophobicContact CG2-CG2 3.81Å |
| 84 | T | 98.4 | Very high | 98.3 | Very high | 63 Ų | 63 | 60.9 Ų | 60.9 | 39% | 0.387 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -14.6 | 177 | 72.5 | 0 | 0 | 0 | 0 | 113 | D82 P86 N134 V135 | D82-T84 PolarHBondContact O-N 3.37Å; D82-T84 VanDerWaalsContact O-N 3.13Å; D82-T84 WeakPolarHBondContact OD1-CA 3.45Å; D82-T84 WeakPolarHBondContact OD1-CB 3.44Å; D82-T84 PolarHBondContact OD1-N 3.05Å; D82-T84 PolarHBondContact OD1-OG1 3.44Å; D82-T84 PolarHBondContact OD2-OG1 2.98Å; T84-P86 WeakPolarHBondContact O-CD 3.2Å; T84-N134 HydrophobicContact CG2-CB 4.23Å; T84-V135 HydrophobicContact CG2-CB 4.27Å; T84-V135 HydrophobicContact CG2-CG2 3.52Å |
| 85 | D | 98.6 | Very high | 98.4 | Very high | 61 Ų | 61 | 58.7 Ų | 58.7 | 33% | 0.326 | 29% | 0.293 | S | S | . | . | trans | -98.4 | 113.7 | 175.7 | 172.6 | 23.6 | 0 | 0 | 0 | 110.9 | D82 Q87 S88 V89 | D82-D85 HydrophobicContact CB-CB 4.32Å; D82-D85 PolarHBondContact O-N 2.75Å; D82-D85 VanDerWaalsContact O-N 3.15Å; D85-Q87 PolarHBondContact O-N 2.87Å; D85-Q87 PolarHBondContact OD1-N 3.16Å; D85-S88 PolarHBondContact O-N 2.96Å; D85-S88 WeakPolarHBondContact OD2-CB 3.37Å; D85-S88 PolarHBondContact OD2-N 3.06Å; D85-V89 WeakPolarHBondContact O-CG2 3.38Å; D85-V89 PolarHBondContact O-N 2.76Å | ||
| 86 | P | 98 | Very high | 98.6 | Very high | 97 Ų | 97 | 53.3 Ų | 53.3 | 63% | 0.63 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -55.9 | -33.3 | 176.4 | -25.4 | 34.9 | 0 | 0 | 0 | 113.8 | T84 Q90 | T84-P86 WeakPolarHBondContact O-CD 3.2Å; P86-Q90 VanDerWaalsContact O-CG 3.27Å; P86-Q90 WeakPolarHBondContact O-CG 3.36Å; P86-Q90 PolarHBondContact O-N 3.43Å |
| 87 | Q | 98.4 | Very high | 98.6 | Very high | 139 Ų | 139 | 58.6 Ų | 58.6 | 65% | 0.65 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -70.2 | -46.1 | 179.1 | -65.1 | -173.2 | -5.2 | 0 | 0 | 111.1 | D85 V89 Q90 Q91 | D85-Q87 PolarHBondContact O-N 2.87Å; D85-Q87 PolarHBondContact OD1-N 3.16Å; Q87-V89 VanDerWaalsContact C-N 3.32Å; Q87-V89 PolarHBondContact O-N 2.93Å; Q87-Q90 PolarHBondContact O-N 3.24Å; Q87-Q91 WeakPolarHBondContact O-CG 3.26Å; Q87-Q91 PolarHBondContact O-N 3.04Å |
| 88 | S | 98.7 | Very high | 98.6 | Very high | 15 Ų | 15 | 59.5 Ų | 59.5 | 11% | 0.105 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.8 | -44.8 | 172.5 | -171.2 | 0 | 0 | 0 | 0 | 112 | D82 D85 Q90 Q91 A92 | D82-S88 PolarHBondContact N-OG 3Å; D82-S88 WeakPolarHBondContact O-CB 3.22Å; D85-S88 PolarHBondContact O-N 2.96Å; D85-S88 WeakPolarHBondContact OD2-CB 3.37Å; D85-S88 PolarHBondContact OD2-N 3.06Å; S88-Q90 PolarHBondContact O-N 2.99Å; S88-Q91 PolarHBondContact O-N 2.85Å; S88-A92 WeakPolarHBondContact O-CB 3.41Å; S88-A92 PolarHBondContact O-N 3.36Å |
| 89 | V | 98.8 | Very high | 98.5 | Very high | 11 Ų | 11 | 60.5 Ų | 60.5 | 7% | 0.067 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 175.8 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | L81 D85 Q87 A92 A93 V143 A146 | L81-V89 HydrophobicContact CD1-CB 4.43Å; L81-V89 HydrophobicContact CD1-CG2 3.96Å; D85-V89 WeakPolarHBondContact O-CG2 3.38Å; D85-V89 PolarHBondContact O-N 2.76Å; Q87-V89 VanDerWaalsContact C-N 3.32Å; Q87-V89 PolarHBondContact O-N 2.93Å; V89-A92 PolarHBondContact O-N 2.94Å; V89-A93 WeakPolarHBondContact O-CB 3.32Å; V89-A93 PolarHBondContact O-N 2.85Å; V89-V143 HydrophobicContact CG1-CG2 4.28Å; V89-V143 HydrophobicContact CG2-CG2 4.13Å; V89-A146 HydrophobicContact CG1-CB 3.78Å |
| 90 | Q | 98.6 | Very high | 98.5 | Very high | 103 Ų | 103 | 59.4 Ų | 59.4 | 48% | 0.481 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.6 | -37.5 | 178.8 | -70.1 | -60.7 | -37 | 0 | 0 | 112.6 | P86 Q87 S88 A93 K94 | P86-Q90 VanDerWaalsContact O-CG 3.27Å; P86-Q90 WeakPolarHBondContact O-CG 3.36Å; P86-Q90 PolarHBondContact O-N 3.43Å; Q87-Q90 PolarHBondContact O-N 3.24Å; S88-Q90 PolarHBondContact O-N 2.99Å; Q90-A93 PolarHBondContact O-N 3.23Å; Q90-K94 WeakPolarHBondContact O-CG 3.38Å; Q90-K94 PolarHBondContact O-N 3.5Å |
| 91 | Q | 98.6 | Very high | 98.4 | Very high | 129 Ų | 129 | 62.6 Ų | 62.6 | 60% | 0.603 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -65 | -45.3 | 175.1 | -70.9 | 172.4 | 8 | 0 | 0 | 111.3 | Q87 S88 A93 K94 W95 | Q87-Q91 WeakPolarHBondContact O-CG 3.26Å; Q87-Q91 PolarHBondContact O-N 3.04Å; S88-Q91 PolarHBondContact O-N 2.85Å; Q91-A93 VanDerWaalsContact C-N 3.35Å; Q91-A93 PolarHBondContact O-N 2.95Å; Q91-K94 PolarHBondContact O-N 3.35Å; Q91-W95 WeakPolarHBondContact O-CB 3.33Å; Q91-W95 PolarHBondContact O-N 2.83Å |
| 92 | A | 98.7 | Very high | 98.2 | Very high | 3 Ų | 3 | 70.7 Ų | 70.7 | 3% | 0.025 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F32 L81 S88 V89 W95 V96 | F32-A92 HydrophobicContact CZ-CB 4.44Å; L81-A92 HydrophobicContact CB-CB 4.46Å; L81-A92 HydrophobicContact CD1-CB 3.89Å; L81-A92 HydrophobicContact CD2-CB 4.29Å; L81-A92 HydrophobicContact CG-CB 4.44Å; S88-A92 WeakPolarHBondContact O-CB 3.41Å; S88-A92 PolarHBondContact O-N 3.36Å; V89-A92 PolarHBondContact O-N 2.94Å; A92-W95 WeakPolarHBondContact O-CB 3.28Å; A92-W95 PolarHBondContact O-N 3.31Å; A92-V96 WeakPolarHBondContact O-CG2 3.39Å; A92-V96 PolarHBondContact O-N 3.28Å |
| 93 | A | 98.7 | Very high | 98 | Very high | 10 Ų | 10 | 71 Ų | 71 | 8% | 0.083 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V89 Q90 Q91 W95 V96 E97 A146 L147 | V89-A93 WeakPolarHBondContact O-CB 3.32Å; V89-A93 PolarHBondContact O-N 2.85Å; Q90-A93 PolarHBondContact O-N 3.23Å; Q91-A93 VanDerWaalsContact C-N 3.35Å; Q91-A93 PolarHBondContact O-N 2.95Å; A93-W95 VanDerWaalsContact C-N 3.32Å; A93-W95 PolarHBondContact O-N 3.02Å; A93-V96 PolarHBondContact O-N 2.86Å; A93-E97 PolarHBondContact O-N 3.08Å; A93-A146 HydrophobicContact CB-CB 3.95Å; A93-L147 HydrophobicContact CB-CD2 3.99Å |
| 94 | K | 98.6 | Very high | 98 | Very high | 135 Ų | 135 | 70.3 Ų | 70.3 | 59% | 0.587 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.5 | -40.8 | 172.9 | -72.8 | 177.3 | -179.6 | -178.1 | 0 | 112 | Q90 Q91 V96 E97 T98 | Q90-K94 WeakPolarHBondContact O-CG 3.38Å; Q90-K94 PolarHBondContact O-N 3.5Å; Q91-K94 PolarHBondContact O-N 3.35Å; K94-V96 VanDerWaalsContact C-N 3.34Å; K94-E97 WeakPolarHBondContact O-CB 3.31Å; K94-E97 PolarHBondContact O-N 3.49Å; K94-T98 WeakPolarHBondContact O-CG2 3.44Å; K94-T98 PolarHBondContact O-N 2.88Å; K94-T98 VanDerWaalsContact O-N 3.09Å |
| 95 | W | 98.7 | Very high | 98 | Very high | 58 Ų | 58 | 67.3 Ų | 67.3 | 22% | 0.22 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.5 | -38.5 | 176.1 | 178.8 | 90.3 | 0 | 0 | 0 | 112 | F32 L56 H77 T79 Q91 A92 A93 T98 H99 | F32-W95 HydrophobicContact CE2-CZ3 4.36Å; L56-W95 HydrophobicContact CB-CH2 4.14Å; L56-W95 HydrophobicContact CB-CZ3 3.8Å; L56-W95 HydrophobicContact CD2-CH2 3.75Å; L56-W95 HydrophobicContact CD2-CZ3 4.02Å; L56-W95 HydrophobicContact CG-CH2 4.47Å; L56-W95 HydrophobicContact CG-CZ3 4.31Å; H77-W95 HydrophobicContact CB-CH2 3.86Å; H77-W95 HydrophobicContact CB-CZ2 3.77Å; T79-W95 HydrophobicContact CG2-CD2 4.25Å; T79-W95 HydrophobicContact CG2-CE3 3.66Å; T79-W95 HydrophobicContact CG2-CH2 4.2Å; T79-W95 HydrophobicContact CG2-CZ3 3.6Å; Q91-W95 WeakPolarHBondContact O-CB 3.33Å; Q91-W95 PolarHBondContact O-N 2.83Å; A92-W95 WeakPolarHBondContact O-CB 3.28Å; A92-W95 PolarHBondContact O-N 3.31Å; A93-W95 VanDerWaalsContact C-N 3.32Å; A93-W95 PolarHBondContact O-N 3.02Å; W95-T98 PolarHBondContact O-N 3.01Å; W95-T98 PolarHBondContact O-OG1 3.17Å; W95-H99 AromaticContact CD1-CE1 3.88Å; W95-H99 AromaticContact CD2-CE1 3.84Å; W95-H99 AromaticContact CD2-ND1 3.95Å; W95-H99 AromaticContact CE2-CE1 3.24Å; W95-H99 AromaticContact CE2-ND1 3.8Å; W95-H99 AromaticContact CE2-NE2 3.96Å; W95-H99 AromaticContact CZ2-CE1 3.52Å; W95-H99 AromaticContact CZ2-NE2 3.78Å; W95-H99 AromaticContact NE1-CE1 3.29Å; W95-H99 PolarHBondContact NE1-CE1 2.84Å; W95-H99 VanDerWaalsContact NE1-CE1 3.29Å; W95-H99 PolarHBondContact O-ND1 3.16Å |
| 96 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 172.2 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | F32 L56 A92 A93 K94 T98 H99 V100 L105 L147 L150 | F32-V96 HydrophobicContact CB-CG2 4.46Å; F32-V96 HydrophobicContact CD2-CG2 3.41Å; F32-V96 VanDerWaalsContact CD2-CG2 3.41Å; F32-V96 HydrophobicContact CE2-CG2 3.64Å; F32-V96 HydrophobicContact CG-CG2 3.9Å; F32-V96 HydrophobicContact CZ-CG2 4.29Å; L56-V96 HydrophobicContact CD1-CB 4.31Å; L56-V96 HydrophobicContact CD1-CG1 3.91Å; L56-V96 HydrophobicContact CD1-CG2 4.16Å; A92-V96 WeakPolarHBondContact O-CG2 3.39Å; A92-V96 PolarHBondContact O-N 3.28Å; A93-V96 PolarHBondContact O-N 2.86Å; K94-V96 VanDerWaalsContact C-N 3.34Å; V96-T98 VanDerWaalsContact C-N 3.31Å; V96-T98 PolarHBondContact O-N 3.05Å; V96-H99 PolarHBondContact O-N 3.25Å; V96-V100 HydrophobicContact CG1-CG1 3.94Å; V96-V100 WeakPolarHBondContact O-CG1 3.47Å; V96-V100 WeakPolarHBondContact O-CG2 3.46Å; V96-V100 PolarHBondContact O-N 2.72Å; V96-L105 HydrophobicContact CG1-CD1 4.09Å; V96-L105 HydrophobicContact CG1-CD2 4.42Å; V96-L147 HydrophobicContact CB-CD2 3.92Å; V96-L147 HydrophobicContact CG1-CD2 3.92Å; V96-L147 HydrophobicContact CG2-CD2 4.21Å; V96-L150 HydrophobicContact CB-CD1 4.43Å; V96-L150 HydrophobicContact CG1-CD1 3.85Å |
| 97 | E | 98.5 | Very high | 98 | Very high | 112 Ų | 112 | 61.2 Ų | 61.2 | 52% | 0.523 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -54.1 | -43.7 | 178.2 | -176.3 | 175.4 | -151.4 | 0 | 0 | 112.5 | A93 K94 H99 V100 K101 L150 | A93-E97 PolarHBondContact O-N 3.08Å; K94-E97 WeakPolarHBondContact O-CB 3.31Å; K94-E97 PolarHBondContact O-N 3.49Å; E97-H99 VanDerWaalsContact C-N 3.28Å; E97-H99 PolarHBondContact O-N 3.13Å; E97-V100 PolarHBondContact O-N 2.97Å; E97-K101 PolarHBondContact O-N 2.58Å; E97-L150 HydrophobicContact CB-CD1 4.09Å; E97-L150 HydrophobicContact CB-CD2 4.42Å; E97-L150 HydrophobicContact CG-CD2 4.21Å |
| 98 | T | 98.3 | Very high | 98 | Very high | 86 Ų | 86 | 54.6 Ų | 54.6 | 53% | 0.528 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.4 | -28.5 | 179 | 62.3 | 0 | 0 | 0 | 0 | 113.7 | K94 W95 V96 K101 | K94-T98 WeakPolarHBondContact O-CG2 3.44Å; K94-T98 PolarHBondContact O-N 2.88Å; K94-T98 VanDerWaalsContact O-N 3.09Å; W95-T98 PolarHBondContact O-N 3.01Å; W95-T98 PolarHBondContact O-OG1 3.17Å; V96-T98 VanDerWaalsContact C-N 3.31Å; V96-T98 PolarHBondContact O-N 3.05Å; T98-K101 WeakPolarHBondContact O-CE 3.29Å; T98-K101 WeakPolarHBondContact O-CG 3.48Å |
| 99 | H | 98 | Very high | 98 | Very high | 52 Ų | 52 | 53.9 Ų | 53.9 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -80.8 | -45.9 | 177.8 | -72.4 | 73 | 0 | 0 | 0 | 111.7 | F30 L56 H77 W95 V96 E97 | F30-H99 HydrophobicContact CD1-CB 4.48Å; F30-H99 HydrophobicContact CE1-CB 4.05Å; F30-H99 WeakPolarHBondContact CZ-O 3.46Å; L56-H99 HydrophobicContact CD1-CB 3.91Å; L56-H99 HydrophobicContact CD2-CB 3.95Å; H77-H99 AromaticContact CD2-CD2 3.77Å; H77-H99 AromaticContact CD2-NE2 3.97Å; W95-H99 AromaticContact CD1-CE1 3.88Å; W95-H99 AromaticContact CD2-CE1 3.84Å; W95-H99 AromaticContact CD2-ND1 3.95Å; W95-H99 AromaticContact CE2-CE1 3.24Å; W95-H99 AromaticContact CE2-ND1 3.8Å; W95-H99 AromaticContact CE2-NE2 3.96Å; W95-H99 AromaticContact CZ2-CE1 3.52Å; W95-H99 AromaticContact CZ2-NE2 3.78Å; W95-H99 AromaticContact NE1-CE1 3.29Å; W95-H99 PolarHBondContact NE1-CE1 2.84Å; W95-H99 VanDerWaalsContact NE1-CE1 3.29Å; W95-H99 PolarHBondContact O-ND1 3.16Å; V96-H99 PolarHBondContact O-N 3.25Å; E97-H99 VanDerWaalsContact C-N 3.28Å; E97-H99 PolarHBondContact O-N 3.13Å |
| 100 | V | 97.6 | Very high | 98 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -81.2 | -32.4 | -172 | -53.5 | 0 | 0 | 0 | 0 | 113.5 | F30 L56 V96 E97 E102 A103 G104 L105 L150 | F30-V100 HydrophobicContact CB-CG1 3.55Å; F30-V100 HydrophobicContact CD1-CG1 4.07Å; F30-V100 HydrophobicContact CD2-CB 4.16Å; F30-V100 HydrophobicContact CD2-CG1 3.96Å; F30-V100 HydrophobicContact CG-CB 4.32Å; F30-V100 HydrophobicContact CG-CG1 3.61Å; L56-V100 HydrophobicContact CD1-CG1 4.03Å; V96-V100 HydrophobicContact CG1-CG1 3.94Å; V96-V100 WeakPolarHBondContact O-CG1 3.47Å; V96-V100 WeakPolarHBondContact O-CG2 3.46Å; V96-V100 PolarHBondContact O-N 2.72Å; E97-V100 PolarHBondContact O-N 2.97Å; V100-E102 PolarHBondContact O-N 3.36Å; V100-A103 WeakPolarHBondContact O-CB 3.44Å; V100-A103 PolarHBondContact O-N 2.58Å; V100-G104 WeakPolarHBondContact CB-O 3.37Å; V100-L105 HydrophobicContact CG1-CD1 4.28Å; V100-L150 HydrophobicContact CG2-CD1 4.02Å; V100-L150 HydrophobicContact CG2-CD2 4.02Å; V100-L150 HydrophobicContact CG2-CG 4.44Å |
| 101 | K | 95.8 | Very high | 98 | Very high | 153 Ų | 153 | 49.6 Ų | 49.6 | 67% | 0.665 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | 47.3 | -132.2 | -179.4 | -54 | -179.7 | -178.8 | 179.5 | 0 | 111.8 | E97 T98 A103 G104 Q153 | E97-K101 PolarHBondContact O-N 2.58Å; T98-K101 WeakPolarHBondContact O-CE 3.29Å; T98-K101 WeakPolarHBondContact O-CG 3.48Å; K101-A103 PolarHBondContact O-N 3.27Å; K101-G104 PolarHBondContact O-N 3.02Å; K101-Q153 PolarHBondContact O-NE2 2.55Å; K101-Q153 VanDerWaalsContact O-NE2 3.14Å |
| 102 | E | 95.1 | Very high | 98 | Very high | 178 Ų | 178 | 44.3 Ų | 44.3 | 83% | 0.832 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -67.2 | -17.8 | -178.6 | -65.8 | -174.1 | -176.1 | 0 | 0 | 114.2 | V100 G104 Q153 | V100-E102 PolarHBondContact O-N 3.36Å; E102-G104 VanDerWaalsContact C-N 3.28Å; E102-G104 PolarHBondContact O-N 3.22Å; E102-Q153 PolarHBondContact O-NE2 3.1Å |
| 103 | A | 95.8 | Very high | 97.9 | Very high | 67 Ų | 67 | 45.4 Ų | 45.4 | 55% | 0.554 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -72 | -25.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V100 K101 A154 | V100-A103 WeakPolarHBondContact O-CB 3.44Å; V100-A103 PolarHBondContact O-N 2.58Å; K101-A103 PolarHBondContact O-N 3.27Å; A103-A154 WeakPolarHBondContact O-CB 3.5Å |
| 104 | G | 97.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | trans | 66.7 | -177.3 | -173 | 0 | 0 | 0 | 0 | 0 | 113.6 | V100 K101 E102 | V100-G104 WeakPolarHBondContact CB-O 3.37Å; K101-G104 PolarHBondContact O-N 3.02Å; E102-G104 VanDerWaalsContact C-N 3.28Å; E102-G104 PolarHBondContact O-N 3.22Å | ||
| 105 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -96.4 | 109.8 | -176.3 | -175.2 | 65.1 | 0 | 0 | 0 | 111 | F30 F32 V96 V100 G107 L108 L147 L150 L151 A154 | F30-L105 HydrophobicContact CB-CD1 4.29Å; F32-L105 HydrophobicContact CB-CD1 3.89Å; F32-L105 HydrophobicContact CB-CD2 4.07Å; V96-L105 HydrophobicContact CG1-CD1 4.09Å; V96-L105 HydrophobicContact CG1-CD2 4.42Å; V100-L105 HydrophobicContact CG1-CD1 4.28Å; L105-G107 WeakPolarHBondContact CD1-O 3.48Å; L105-G107 WeakPolarHBondContact CG-O 3.24Å; L105-L108 HydrophobicContact CD2-CB 4.25Å; L105-L147 HydrophobicContact CD2-CB 4.17Å; L105-L147 HydrophobicContact CD2-CD1 4.03Å; L105-L147 HydrophobicContact CD2-CD2 4.42Å; L105-L147 HydrophobicContact CD2-CG 4.45Å; L105-L150 HydrophobicContact CB-CB 3.8Å; L105-L150 PolarHBondContact N-O 3.23Å; L105-L151 HydrophobicContact CB-CD2 4.38Å; L105-L151 HydrophobicContact CB-CG 4.48Å; L105-L151 HydrophobicContact CD2-CD2 4.07Å; L105-L151 HydrophobicContact CD2-CG 4.17Å; L105-L151 HydrophobicContact CG-CD2 4.18Å; L105-A154 VanDerWaalsContact C-CB 3.49Å; L105-A154 WeakPolarHBondContact O-CB 3.34Å | ||
| 106 | F | 98.1 | Very high | 97.2 | Very high | 30 Ų | 30 | 40.3 Ų | 40.3 | 13% | 0.132 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -69.6 | -37.1 | -179 | 171.4 | -98.2 | 0 | 0 | 0 | 112.8 | L24 A29 F30 V31 F53 G156 R157 L272 | L24-F106 HydrophobicContact CD1-CE2 3.93Å; L24-F106 HydrophobicContact CD1-CZ 3.93Å; A29-F106 HydrophobicContact CB-CB 3.66Å; A29-F106 HydrophobicContact CB-CD1 4.12Å; A29-F106 HydrophobicContact CB-CD2 4.31Å; A29-F106 HydrophobicContact CB-CG 3.77Å; F30-F106 WeakPolarHBondContact O-CB 3.47Å; F30-F106 PolarHBondContact O-N 2.72Å; V31-F106 HydrophobicContact CG2-CD1 4.09Å; F53-F106 HydrophobicContact CE1-CD1 4.22Å; F53-F106 AromaticContact CE1-CE1 3.93Å; F53-F106 HydrophobicContact CE1-CE1 3.93Å; F106-G156 CarbonylContact O-C 3.53Å; F106-G156 WeakPolarHBondContact O-CA 3.48Å; F106-R157 PolarHBondContact O-N 3.46Å; F106-L272 WeakPolarHBondContact CZ-O 3.43Å |
| 107 | G | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 138.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F30 V31 F32 L105 R157 | F30-G107 PolarHBondContact O-N 3.1Å; F30-G107 VanDerWaalsContact O-N 3.16Å; V31-G107 CarbonylContact C-O 3.41Å; V31-G107 WeakPolarHBondContact CA-O 3.48Å; F32-G107 PolarHBondContact N-O 3.5Å; L105-G107 WeakPolarHBondContact CD1-O 3.48Å; L105-G107 WeakPolarHBondContact CG-O 3.24Å; G107-R157 CarbonylContact C-O 3.56Å; G107-R157 WeakPolarHBondContact CA-O 3.45Å |
| 108 | L | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.4 | 166.1 | 170 | 61 | 0 | 0 | 0 | 108.5 | F32 L105 V143 T144 L147 L151 R157 V158 I159 | F32-L108 HydrophobicContact CB-CD1 4.45Å; F32-L108 HydrophobicContact CD1-CD1 3.68Å; F32-L108 CarbonylContact O-C 3.56Å; F32-L108 WeakPolarHBondContact O-CA 3.24Å; L105-L108 HydrophobicContact CD2-CB 4.25Å; L108-V143 HydrophobicContact CD1-CG1 3.92Å; L108-V143 HydrophobicContact CD2-CG1 4.37Å; L108-T144 HydrophobicContact CD2-CG2 4.38Å; L108-L147 HydrophobicContact CD1-CD1 3.86Å; L108-L147 HydrophobicContact CD2-CD1 4.37Å; L108-L151 HydrophobicContact CB-CD1 4.25Å; L108-L151 HydrophobicContact CB-CD2 4.03Å; L108-L151 HydrophobicContact CD2-CD1 4.05Å; L108-R157 PolarHBondContact N-O 2.99Å; L108-V158 HydrophobicContact CB-CG2 4.48Å; L108-V158 HydrophobicContact CD2-CG1 4.26Å; L108-V158 HydrophobicContact CD2-CG2 4.47Å; L108-V158 CarbonylContact O-C 3.56Å; L108-V158 WeakPolarHBondContact O-CA 3.41Å; L108-I159 PolarHBondContact O-N 2.92Å |
| 109 | V | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 103.5 | 173.6 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | V31 F32 I33 T34 L44 N111 I159 I161 L268 L272 | V31-V109 HydrophobicContact CG1-CG2 4.23Å; F32-V109 PolarHBondContact O-N 3.04Å; I33-V109 HydrophobicContact CB-CB 4.44Å; I33-V109 HydrophobicContact CG1-CB 4.22Å; I33-V109 HydrophobicContact CG1-CG2 4.37Å; I33-V109 HydrophobicContact CG2-CB 4.15Å; I33-V109 HydrophobicContact CG2-CG1 4.37Å; T34-V109 PolarHBondContact N-O 3.33Å; L44-V109 HydrophobicContact CD2-CB 4.32Å; L44-V109 HydrophobicContact CD2-CG1 3.96Å; L44-V109 HydrophobicContact CD2-CG2 3.94Å; V109-N111 HydrophobicContact CG1-CB 4.24Å; V109-N111 PolarHBondContact O-N 3.22Å; V109-N111 VanDerWaalsContact O-N 3.14Å; V109-I159 WeakPolarHBondContact CA-O 3.47Å; V109-I159 HydrophobicContact CG2-CB 4.39Å; V109-I159 HydrophobicContact CG2-CD1 4.16Å; V109-I161 HydrophobicContact CG1-CD1 4.33Å; V109-I161 HydrophobicContact CG1-CG1 4.49Å; V109-L268 HydrophobicContact CG1-CD2 4.11Å; V109-L272 HydrophobicContact CG2-CD1 4.15Å; V109-L272 HydrophobicContact CG2-CD2 4.2Å; V109-L272 HydrophobicContact CG2-CG 4.45Å |
| 110 | N | 98.9 | Very high | 96 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.011 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 92.7 | 172.7 | -69.1 | -53.4 | 0 | 0 | 0 | 109.3 | P140 T144 I159 N160 I161 | N110-P140 HydrophobicContact CB-CB 3.91Å; N110-P140 HydrophobicContact CB-CG 4.35Å; N110-T144 PolarHBondContact ND2-OG1 3.03Å; N110-I159 PolarHBondContact N-O 3.43Å; N110-N160 WeakPolarHBondContact CB-OD1 3.25Å; N110-N160 PolarHBondContact ND2-OD1 3.48Å; N110-I161 PolarHBondContact O-N 3.4Å |
| 111 | N | 98.6 | Very high | 95.7 | Very high | 22 Ų | 22 | 34.7 Ų | 34.7 | 12% | 0.118 | 20% | 0.203 | C | C | . | . | trans | -107.9 | -30.7 | -177.1 | 157.7 | 86.7 | 0 | 0 | 0 | 113 | I33 T34 G35 G41 V109 G113 I161 | I33-N111 HydrophobicContact CG2-CB 4.43Å; T34-N111 WeakPolarHBondContact O-CB 3.34Å; T34-N111 PolarHBondContact O-ND2 3.12Å; T34-N111 PolarHBondContact OG1-N 3.46Å; G35-N111 PolarHBondContact O-ND2 3.16Å; G41-N111 WeakPolarHBondContact CA-ND2 3.25Å; G41-N111 PolarHBondContact N-OD1 3.37Å; V109-N111 HydrophobicContact CG1-CB 4.24Å; V109-N111 PolarHBondContact O-N 3.22Å; V109-N111 VanDerWaalsContact O-N 3.14Å; N111-G113 PolarHBondContact O-N 3.32Å; N111-I161 HydrophobicContact CB-CD1 3.55Å; N111-I161 HydrophobicContact CB-CG1 4.28Å; N111-I161 WeakPolarHBondContact OD1-CD1 3.46Å | ||
| 112 | A | 97.3 | Very high | 95.6 | Very high | 18 Ų | 18 | 32 Ų | 32 | 15% | 0.149 | 20% | 0.201 | C | C | . | . | trans | -52.5 | 133.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | T34 I83 | T34-A112 PolarHBondContact O-N 3.08Å; T34-A112 PolarHBondContact OG1-N 2.81Å; T34-A112 VanDerWaalsContact OG1-N 3.16Å; I83-A112 HydrophobicContact CD1-CB 3.73Å; I83-A112 HydrophobicContact CG2-CB 4.46Å | ||
| 113 | G | 96.6 | Very high | 95.5 | Very high | 26 Ų | 26 | 23.8 Ų | 23.8 | 27% | 0.268 | 16% | 0.163 | S | C | . | . | trans | -175.4 | 160.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N111 N136 | N111-G113 PolarHBondContact O-N 3.32Å; G113-N136 WeakPolarHBondContact CA-OD1 3.44Å | ||
| 114 | V | 96 | Very high | 95.5 | Very high | 57 Ų | 57 | 21.7 Ų | 21.7 | 35% | 0.345 | 14% | 0.142 | S | C | . | . | trans | -132.1 | 151.9 | -179.7 | -65.6 | 0 | 0 | 0 | 0 | 111.3 | V135 N136 Y175 | V114-V135 HydrophobicContact CG1-CG1 4.18Å; V114-V135 HydrophobicContact CG2-CB 3.91Å; V114-V135 HydrophobicContact CG2-CG1 4.01Å; V114-V135 HydrophobicContact CG2-CG2 4.12Å; V114-N136 PolarHBondContact N-OD1 2.84Å; V114-N136 PolarHBondContact O-ND2 2.96Å; V114-N136 PolarHBondContact O-OD1 3.41Å; V114-Y175 WeakPolarHBondContact O-CD2 3.36Å | ||
| 115 | A | 92.9 | Very high | 95.4 | Very high | 11 Ų | 11 | 24.5 Ų | 24.5 | 9% | 0.091 | 16% | 0.159 | C | C | . | . | trans | -75.4 | -41 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I118 V212 L218 | A115-I118 HydrophobicContact CB-CD1 4.22Å; A115-V212 HydrophobicContact CB-CG1 3.82Å; A115-V212 WeakPolarHBondContact CB-O 3.43Å; A115-L218 HydrophobicContact CB-CD2 3.9Å | ||
| 116 | G | 92.5 | Very high | 95.3 | Very high | 27 Ų | 27 | 33.8 Ų | 33.8 | 28% | 0.278 | 19% | 0.194 | S | C | . | . | trans | 69.1 | -157.2 | -168 | 0 | 0 | 0 | 0 | 0 | 112.6 | I118 | G116-I118 PolarHBondContact O-N 3.45Š| ||
| 117 | I | 93.4 | Very high | 95.2 | Very high | 18 Ų | 18 | 37.4 Ų | 37.4 | 9% | 0.092 | 22% | 0.215 | C | C | . | . | trans | -80.8 | 117.5 | 176.7 | -49.7 | 179.5 | 0 | 0 | 0 | 108.7 | L124 D128 T221 C225 | I117-L124 HydrophobicContact CB-CD2 3.94Å; I117-L124 HydrophobicContact CB-CG 4.38Å; I117-L124 HydrophobicContact CG2-CD1 4.45Å; I117-L124 HydrophobicContact CG2-CD2 4.34Å; I117-L124 HydrophobicContact CG2-CG 4.32Å; I117-D128 HydrophobicContact CD1-CB 4.09Å; I117-D128 WeakPolarHBondContact CD1-OD1 3.42Å; I117-T221 HydrophobicContact CB-CG2 4.13Å; I117-T221 HydrophobicContact CG1-CG2 3.59Å; I117-T221 HydrophobicContact CG2-CG2 4.38Å; I117-C225 HydrophobicContact CD1-CB 4.27Å; I117-C225 HydrophobicContact CG2-CB 3.94Å | ||
| 118 | I | 91.5 | Very high | 95.1 | Very high | 20 Ų | 20 | 37.9 Ų | 37.9 | 10% | 0.103 | 22% | 0.217 | C | C | . | . | trans | -101.2 | 102.6 | 170.8 | -59.8 | 177.7 | 0 | 0 | 0 | 107.7 | A115 G116 N171 L218 | A115-I118 HydrophobicContact CB-CD1 4.22Å; G116-I118 PolarHBondContact O-N 3.45Å; I118-N171 HydrophobicContact CG2-CB 4.03Å; I118-L218 HydrophobicContact CD1-CD1 4.47Å; I118-L218 HydrophobicContact CD1-CD2 3.89Å; I118-L218 HydrophobicContact CG1-CD2 4.32Å | ||
| 119 | G | 91.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -168.5 | 178.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T121 G172 | G119-T121 PolarHBondContact O-N 3.44Å; G119-G172 CarbonylContact O-C 3.6Å; G119-G172 VanDerWaalsContact O-CA 3.31Å; G119-G172 WeakPolarHBondContact O-CA 3.32Å |
| 120 | P | 92.1 | Very high | 95 | Very high | 19 Ų | 19 | 43.6 Ų | 43.6 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | trans | -54.4 | 125 | 177.1 | -26.3 | 35.1 | 0 | 0 | 0 | 112 | P122 W123 L124 Y237 F241 Y245 | P120-P122 VanDerWaalsContact C-N 3.3Å; P120-P122 VanDerWaalsContact O-N 3.14Å; P120-W123 HydrophobicContact CB-CD2 4.04Å; P120-W123 HydrophobicContact CB-CG 4.11Å; P120-W123 HydrophobicContact CG-CD2 3.92Å; P120-W123 HydrophobicContact CG-CE3 4.19Å; P120-W123 HydrophobicContact CG-CH2 4.08Å; P120-W123 HydrophobicContact CG-CZ2 3.82Å; P120-W123 HydrophobicContact CG-CZ3 4.27Å; P120-W123 VanDerWaalsContact O-CB 3.28Å; P120-W123 WeakPolarHBondContact O-CB 3.29Å; P120-W123 PolarHBondContact O-N 3.04Å; P120-L124 WeakPolarHBondContact O-CD1 3.28Å; P120-Y237 HydrophobicContact CB-CE1 4.31Å; P120-Y237 HydrophobicContact CG-CE1 4.4Å; P120-F241 HydrophobicContact CG-CE1 3.96Å; P120-F241 HydrophobicContact CG-CZ 4.23Å; P120-Y245 HydrophobicContact CG-CE2 4.17Å | ||
| 121 | T | 91.9 | Very high | 94.9 | Very high | 78 Ų | 78 | 50.4 Ų | 50.4 | 48% | 0.479 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -49.3 | -40.4 | -177.8 | -60.2 | 0 | 0 | 0 | 0 | 114.6 | G119 W123 L124 F129 | G119-T121 PolarHBondContact O-N 3.44Å; T121-W123 PolarHBondContact O-N 3.43Å; T121-L124 PolarHBondContact O-N 2.98Å; T121-F129 HydrophobicContact CG2-CZ 4.2Å |
| 122 | P | 92.3 | Very high | 94.9 | Very high | 98 Ų | 98 | 49.5 Ų | 49.5 | 64% | 0.636 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -62.2 | -11.7 | 177.6 | -24.7 | 36.1 | 0 | 0 | 0 | 115.1 | P120 | P120-P122 VanDerWaalsContact C-N 3.3Å; P120-P122 VanDerWaalsContact O-N 3.14Å |
| 123 | W | 93.8 | Very high | 94.9 | Very high | 5 Ų | 5 | 50.6 Ų | 50.6 | 2% | 0.019 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -88.2 | -12 | 177.5 | -61.3 | 3 | 0 | 0 | 0 | 113.4 | P120 T121 L222 C225 W226 R228 L229 Y237 F241 L242 | P120-W123 HydrophobicContact CB-CD2 4.04Å; P120-W123 HydrophobicContact CB-CG 4.11Å; P120-W123 HydrophobicContact CG-CD2 3.92Å; P120-W123 HydrophobicContact CG-CE3 4.19Å; P120-W123 HydrophobicContact CG-CH2 4.08Å; P120-W123 HydrophobicContact CG-CZ2 3.82Å; P120-W123 HydrophobicContact CG-CZ3 4.27Å; P120-W123 VanDerWaalsContact O-CB 3.28Å; P120-W123 WeakPolarHBondContact O-CB 3.29Å; P120-W123 PolarHBondContact O-N 3.04Å; T121-W123 PolarHBondContact O-N 3.43Å; W123-L222 HydrophobicContact CE3-CD1 3.87Å; W123-L222 HydrophobicContact CZ3-CD1 3.71Å; W123-L222 HydrophobicContact CZ3-CG 4.28Å; W123-C225 PolarHBondContact O-SG 3.26Å; W123-C225 VanDerWaalsContact O-SG 3.41Å; W123-W226 HydrophobicContact CE3-CE3 4.43Å; W123-W226 AromaticContact CH2-CE3 3.36Å; W123-W226 HydrophobicContact CH2-CE3 3.36Å; W123-W226 AromaticContact CH2-CZ3 3.67Å; W123-W226 HydrophobicContact CH2-CZ3 3.67Å; W123-W226 AromaticContact CZ2-CE3 3.53Å; W123-W226 HydrophobicContact CZ2-CE3 3.53Å; W123-W226 AromaticContact CZ2-CZ3 3.44Å; W123-W226 HydrophobicContact CZ2-CZ3 3.44Å; W123-W226 VanDerWaalsContact CZ2-CZ3 3.44Å; W123-W226 AromaticContact CZ3-CE3 3.84Å; W123-W226 HydrophobicContact CZ3-CE3 3.84Å; W123-R228 PolarHBondContact O-NH2 3.14Å; W123-L229 HydrophobicContact CB-CD1 4.3Å; W123-L229 HydrophobicContact CB-CD2 3.86Å; W123-L229 HydrophobicContact CD2-CD1 3.68Å; W123-L229 HydrophobicContact CE3-CD1 4.24Å; W123-L229 HydrophobicContact CG-CD1 3.68Å; W123-L229 HydrophobicContact CG-CD2 4.05Å; W123-L229 HydrophobicContact CG-CG 4.46Å; W123-Y237 AromaticContact CD1-CE2 3.89Å; W123-Y237 AromaticContact CD1-CZ 3.9Å; W123-Y237 AromaticContact CE2-CE1 3.98Å; W123-Y237 AromaticContact CZ2-CD1 3.69Å; W123-Y237 HydrophobicContact CZ2-CD1 3.69Å; W123-Y237 HydrophobicContact CZ2-CD2 4.35Å; W123-Y237 AromaticContact CZ2-CE1 3.96Å; W123-Y237 HydrophobicContact CZ2-CE1 3.96Å; W123-Y237 AromaticContact CZ2-CG 3.89Å; W123-Y237 HydrophobicContact CZ2-CG 3.89Å; W123-Y237 AromaticContact NE1-CD1 3.89Å; W123-Y237 AromaticContact NE1-CD2 3.49Å; W123-Y237 AromaticContact NE1-CE1 3.51Å; W123-Y237 AromaticContact NE1-CE2 3.1Å; W123-Y237 AromaticContact NE1-CG 3.89Å; W123-Y237 AromaticContact NE1-CZ 3.1Å; W123-F241 AromaticContact CH2-CD1 3.69Å; W123-F241 HydrophobicContact CH2-CD1 3.69Å; W123-F241 AromaticContact CH2-CE1 3.63Å; W123-F241 HydrophobicContact CH2-CE1 3.63Å; W123-F241 AromaticContact CZ2-CD1 3.64Å; W123-F241 HydrophobicContact CZ2-CD1 3.64Å; W123-F241 AromaticContact CZ2-CE1 3.51Å; W123-F241 HydrophobicContact CZ2-CE1 3.51Å; W123-L242 HydrophobicContact CH2-CD1 4.37Å; W123-L242 HydrophobicContact CZ3-CD1 4.17Å |
| 124 | L | 95.1 | Very high | 95 | Very high | 22 Ų | 22 | 52.1 Ų | 52.1 | 12% | 0.115 | 27% | 0.269 | C | S | . | . | trans | -97.8 | 151 | -172.8 | -74 | 89.3 | 0 | 0 | 0 | 111.8 | I117 P120 T121 D128 F129 G173 | I117-L124 HydrophobicContact CB-CD2 3.94Å; I117-L124 HydrophobicContact CB-CG 4.38Å; I117-L124 HydrophobicContact CG2-CD1 4.45Å; I117-L124 HydrophobicContact CG2-CD2 4.34Å; I117-L124 HydrophobicContact CG2-CG 4.32Å; P120-L124 WeakPolarHBondContact O-CD1 3.28Å; T121-L124 PolarHBondContact O-N 2.98Å; L124-D128 HydrophobicContact CB-CB 4.36Å; L124-D128 HydrophobicContact CD2-CB 4.02Å; L124-D128 HydrophobicContact CG-CB 4.47Å; L124-F129 HydrophobicContact CB-CD2 4.41Å; L124-F129 HydrophobicContact CB-CE2 3.76Å; L124-F129 HydrophobicContact CD2-CE2 4.22Å; L124-G173 VanDerWaalsContact CD2-CA 3.42Å | ||
| 125 | T | 95.7 | Very high | 95.2 | Very high | 61 Ų | 61 | 50.6 Ų | 50.6 | 37% | 0.374 | 26% | 0.26 | S | S | . | . | trans | -100.4 | 164 | 172.9 | 70.5 | 0 | 0 | 0 | 0 | 110.4 | D127 D128 F129 | T125-D127 PolarHBondContact O-N 3.45Å; T125-D127 PolarHBondContact OG1-N 3.4Å; T125-D128 PolarHBondContact N-OD2 2.83Å; T125-D128 WeakPolarHBondContact O-CB 3.48Å; T125-D128 PolarHBondContact O-N 3.21Å; T125-D128 VanDerWaalsContact O-N 3.07Å; T125-D128 PolarHBondContact OG1-N 3.32Å; T125-D128 PolarHBondContact OG1-OD2 2.97Å; T125-D128 VanDerWaalsContact OG1-OD2 3.1Å; T125-F129 WeakPolarHBondContact O-CD2 3.35Å; T125-F129 PolarHBondContact O-N 3.38Å | ||
| 126 | R | 96.8 | Very high | 95.4 | Very high | 196 Ų | 196 | 50 Ų | 50 | 74% | 0.74 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -50.4 | -41.1 | 171.4 | 178.2 | -177.3 | 171.1 | -171.5 | -3 | 112.1 | D128 F129 Q130 | R126-D128 VanDerWaalsContact C-N 3.28Å; R126-D128 PolarHBondContact O-N 3.14Å; R126-F129 WeakPolarHBondContact O-CB 3.41Å; R126-F129 PolarHBondContact O-N 3.44Å; R126-F129 VanDerWaalsContact O-N 3.16Å; R126-Q130 PolarHBondContact O-N 3.2Å |
| 127 | D | 96.9 | Very high | 95.7 | Very high | 106 Ų | 106 | 49.5 Ų | 49.5 | 57% | 0.567 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -67.1 | -30.9 | -177.4 | -61.8 | -21.3 | 0 | 0 | 0 | 112.4 | T125 F129 Q130 R131 | T125-D127 PolarHBondContact O-N 3.45Å; T125-D127 PolarHBondContact OG1-N 3.4Å; D127-F129 VanDerWaalsContact C-N 3.32Å; D127-Q130 PolarHBondContact O-N 2.97Å; D127-R131 WeakPolarHBondContact O-CB 3.46Å; D127-R131 PolarHBondContact O-N 3.49Å |
| 128 | D | 96.3 | Very high | 96 | Very high | 10 Ų | 10 | 52.4 Ų | 52.4 | 5% | 0.053 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.5 | -38 | 174.4 | -59.9 | -42.7 | 0 | 0 | 0 | 111.6 | I117 L124 T125 R126 R131 R228 | I117-D128 HydrophobicContact CD1-CB 4.09Å; I117-D128 WeakPolarHBondContact CD1-OD1 3.42Å; L124-D128 HydrophobicContact CB-CB 4.36Å; L124-D128 HydrophobicContact CD2-CB 4.02Å; L124-D128 HydrophobicContact CG-CB 4.47Å; T125-D128 PolarHBondContact N-OD2 2.83Å; T125-D128 WeakPolarHBondContact O-CB 3.48Å; T125-D128 PolarHBondContact O-N 3.21Å; T125-D128 VanDerWaalsContact O-N 3.07Å; T125-D128 PolarHBondContact OG1-N 3.32Å; T125-D128 PolarHBondContact OG1-OD2 2.97Å; T125-D128 VanDerWaalsContact OG1-OD2 3.1Å; R126-D128 VanDerWaalsContact C-N 3.28Å; R126-D128 PolarHBondContact O-N 3.14Å; D128-R131 IonicContact OD1-NH1 3.43Å; D128-R131 PolarHBondContact OD1-NH1 3.13Å; D128-R228 IonicContact OD1-NH1 3.45Å; D128-R228 IonicContact OD2-CZ 3.48Å; D128-R228 IonicContact OD2-NH1 2.93Å; D128-R228 PolarHBondContact OD2-NH1 3.49Å; D128-R228 IonicContact OD2-NH2 2.7Å; D128-R228 PolarHBondContact OD2-NH2 2.93Å |
| 129 | F | 97.4 | Very high | 96.3 | Very high | 47 Ų | 47 | 51.5 Ų | 51.5 | 21% | 0.206 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68 | -48.5 | 171.4 | -73.7 | -93.9 | 0 | 0 | 0 | 111.1 | T121 L124 T125 R126 D127 R131 V132 L133 G173 V177 | T121-F129 HydrophobicContact CG2-CZ 4.2Å; L124-F129 HydrophobicContact CB-CD2 4.41Å; L124-F129 HydrophobicContact CB-CE2 3.76Å; L124-F129 HydrophobicContact CD2-CE2 4.22Å; T125-F129 WeakPolarHBondContact O-CD2 3.35Å; T125-F129 PolarHBondContact O-N 3.38Å; R126-F129 WeakPolarHBondContact O-CB 3.41Å; R126-F129 PolarHBondContact O-N 3.44Å; R126-F129 VanDerWaalsContact O-N 3.16Å; D127-F129 VanDerWaalsContact C-N 3.32Å; F129-R131 VanDerWaalsContact C-N 3.3Å; F129-R131 PolarHBondContact O-N 3.11Å; F129-V132 PolarHBondContact O-N 2.95Å; F129-L133 HydrophobicContact CB-CD1 4.41Å; F129-L133 WeakPolarHBondContact O-CB 3.39Å; F129-L133 VanDerWaalsContact O-CG 3.3Å; F129-L133 WeakPolarHBondContact O-CG 3.47Å; F129-L133 PolarHBondContact O-N 2.97Å; F129-G173 VanDerWaalsContact CE1-C 3.41Å; F129-G173 WeakPolarHBondContact CE1-O 3.28Å; F129-V177 HydrophobicContact CD1-CG2 4.38Å; F129-V177 HydrophobicContact CE1-CG2 4.21Å |
| 130 | Q | 98 | Very high | 96.7 | Very high | 72 Ų | 72 | 51.7 Ų | 51.7 | 34% | 0.336 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58 | -42.2 | -176.6 | -169.7 | 66.4 | 60.8 | 0 | 0 | 111.8 | R126 D127 V132 L133 N134 | R126-Q130 PolarHBondContact O-N 3.2Å; D127-Q130 PolarHBondContact O-N 2.97Å; Q130-V132 PolarHBondContact O-N 2.59Å; Q130-L133 PolarHBondContact O-N 2.81Å; Q130-N134 PolarHBondContact NE2-OD1 3.11Å; Q130-N134 WeakPolarHBondContact O-CB 3.46Å; Q130-N134 PolarHBondContact O-N 2.77Å; Q130-N134 PolarHBondContact O-OD1 3.05Å |
| 131 | R | 97.2 | Very high | 97 | Very high | 146 Ų | 146 | 53 Ų | 53 | 55% | 0.551 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -58.3 | -47.6 | 178 | -173.8 | -177.9 | -63.7 | 108.2 | 0.6 | 112 | D127 D128 F129 V135 | D127-R131 WeakPolarHBondContact O-CB 3.46Å; D127-R131 PolarHBondContact O-N 3.49Å; D128-R131 IonicContact OD1-NH1 3.43Å; D128-R131 PolarHBondContact OD1-NH1 3.13Å; F129-R131 VanDerWaalsContact C-N 3.3Å; F129-R131 PolarHBondContact O-N 3.11Å; R131-V135 WeakPolarHBondContact O-CG2 3.49Å; R131-V135 PolarHBondContact O-N 3.14Å |
| 132 | V | 97.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.7 | -40.2 | -179.3 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | F129 Q130 V135 N136 | F129-V132 PolarHBondContact O-N 2.95Å; Q130-V132 PolarHBondContact O-N 2.59Å; V132-V135 PolarHBondContact O-N 3.26Å; V132-N136 WeakPolarHBondContact CG1-ND2 3.46Å; V132-N136 VanDerWaalsContact O-CB 3.29Å; V132-N136 WeakPolarHBondContact O-CB 3.48Å; V132-N136 PolarHBondContact O-N 2.67Å |
| 133 | L | 98.5 | Very high | 97.6 | Very high | 41 Ų | 41 | 46.1 Ų | 46.1 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.4 | -41.3 | 176.8 | -71.1 | 167 | 0 | 0 | 0 | 112.3 | F129 Q130 V135 T137 V138 V177 | F129-L133 HydrophobicContact CB-CD1 4.41Å; F129-L133 WeakPolarHBondContact O-CB 3.39Å; F129-L133 VanDerWaalsContact O-CG 3.3Å; F129-L133 WeakPolarHBondContact O-CG 3.47Å; F129-L133 PolarHBondContact O-N 2.97Å; Q130-L133 PolarHBondContact O-N 2.81Å; L133-V135 VanDerWaalsContact C-N 3.32Å; L133-V135 PolarHBondContact O-N 3.3Å; L133-T137 WeakPolarHBondContact O-CA 3.37Å; L133-T137 WeakPolarHBondContact O-CB 3.15Å; L133-T137 PolarHBondContact O-N 3.12Å; L133-V138 PolarHBondContact O-N 3.15Å; L133-V177 HydrophobicContact CD2-CB 4.49Å; L133-V177 HydrophobicContact CD2-CG1 4.05Å |
| 134 | N | 98.6 | Very high | 97.9 | Very high | 58 Ų | 58 | 45.9 Ų | 45.9 | 31% | 0.31 | 23% | 0.229 | S | C | . | . | I | π-helix | trans | -59.5 | -44.2 | 178 | -75.6 | -5.8 | 0 | 0 | 0 | 111.2 | T84 Q130 G139 | T84-N134 HydrophobicContact CG2-CB 4.23Å; Q130-N134 PolarHBondContact NE2-OD1 3.11Å; Q130-N134 WeakPolarHBondContact O-CB 3.46Å; Q130-N134 PolarHBondContact O-N 2.77Å; Q130-N134 PolarHBondContact O-OD1 3.05Å; N134-G139 PolarHBondContact O-N 2.77Å |
| 135 | V | 98.4 | Very high | 98 | Very high | 25 Ų | 25 | 49.7 Ų | 49.7 | 15% | 0.152 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -76.4 | -53.7 | 179.5 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | I83 T84 V114 R131 V132 L133 P140 | I83-V135 HydrophobicContact CD1-CG1 3.93Å; I83-V135 WeakPolarHBondContact CD1-O 3.32Å; I83-V135 HydrophobicContact CG1-CG1 4.46Å; T84-V135 HydrophobicContact CG2-CB 4.27Å; T84-V135 HydrophobicContact CG2-CG2 3.52Å; V114-V135 HydrophobicContact CG1-CG1 4.18Å; V114-V135 HydrophobicContact CG2-CB 3.91Å; V114-V135 HydrophobicContact CG2-CG1 4.01Å; V114-V135 HydrophobicContact CG2-CG2 4.12Å; R131-V135 WeakPolarHBondContact O-CG2 3.49Å; R131-V135 PolarHBondContact O-N 3.14Å; V132-V135 PolarHBondContact O-N 3.26Å; L133-V135 VanDerWaalsContact C-N 3.32Å; L133-V135 PolarHBondContact O-N 3.3Å; V135-P140 WeakPolarHBondContact O-CD 3.4Å |
| 136 | N | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -86 | -16.2 | -165.9 | -68.8 | 0.6 | 0 | 0 | 0 | 114.2 | G113 V114 V132 S178 | G113-N136 WeakPolarHBondContact CA-OD1 3.44Å; V114-N136 PolarHBondContact N-OD1 2.84Å; V114-N136 PolarHBondContact O-ND2 2.96Å; V114-N136 PolarHBondContact O-OD1 3.41Å; V132-N136 WeakPolarHBondContact CG1-ND2 3.46Å; V132-N136 VanDerWaalsContact O-CB 3.29Å; V132-N136 WeakPolarHBondContact O-CB 3.48Å; V132-N136 PolarHBondContact O-N 2.67Å; N136-S178 VanDerWaalsContact CB-OG 3.27Å; N136-S178 WeakPolarHBondContact CB-OG 3.41Å; N136-S178 PolarHBondContact ND2-OG 2.65Å; N136-S178 VanDerWaalsContact ND2-OG 3.08Å |
| 137 | T | 98.6 | Very high | 98.3 | Very high | 15 Ų | 15 | 38.7 Ų | 38.7 | 9% | 0.092 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -123.2 | -62 | -176 | -47.8 | 0 | 0 | 0 | 0 | 110.9 | L133 G139 P140 I141 S178 | L133-T137 WeakPolarHBondContact O-CA 3.37Å; L133-T137 WeakPolarHBondContact O-CB 3.15Å; L133-T137 PolarHBondContact O-N 3.12Å; T137-G139 PolarHBondContact O-N 3.4Å; T137-P140 WeakPolarHBondContact O-CD 3.28Å; T137-I141 HydrophobicContact CG2-CD1 4.09Å; T137-I141 WeakPolarHBondContact O-CD1 3.34Å; T137-I141 WeakPolarHBondContact O-CG1 3.35Å; T137-I141 PolarHBondContact O-N 2.8Å; T137-S178 WeakPolarHBondContact OG1-CA 3.45Å; T137-S178 WeakPolarHBondContact OG1-CB 3.48Å; T137-S178 PolarHBondContact OG1-O 3.22Å |
| 138 | V | 98.7 | Very high | 98.4 | Very high | 80 Ų | 80 | 35.2 Ų | 35.2 | 49% | 0.485 | 19% | 0.187 | S | C | . | . | I | π-helix | trans | -67.7 | -37.9 | -175.1 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | L133 I141 G142 | L133-V138 PolarHBondContact O-N 3.15Å; V138-I141 WeakPolarHBondContact O-CB 3.46Å; V138-I141 PolarHBondContact O-N 2.83Å; V138-G142 PolarHBondContact O-N 2.99Å |
| 139 | G | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.3 | -58.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I83 N134 T137 I141 G142 V143 | I83-G139 VanDerWaalsContact O-CA 3.29Å; I83-G139 WeakPolarHBondContact O-CA 3.17Å; N134-G139 PolarHBondContact O-N 2.77Å; T137-G139 PolarHBondContact O-N 3.4Å; G139-I141 PolarHBondContact O-N 2.81Å; G139-G142 PolarHBondContact O-N 3.4Å; G139-V143 WeakPolarHBondContact O-CG2 3.34Å; G139-V143 PolarHBondContact O-N 2.86Å |
| 140 | P | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.019 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.6 | -35.9 | 174.1 | -31.1 | 36.4 | 0 | 0 | 0 | 113.7 | N110 V135 T137 T144 L182 | N110-P140 HydrophobicContact CB-CB 3.91Å; N110-P140 HydrophobicContact CB-CG 4.35Å; V135-P140 WeakPolarHBondContact O-CD 3.4Å; T137-P140 WeakPolarHBondContact O-CD 3.28Å; P140-T144 WeakPolarHBondContact O-CB 3.31Å; P140-T144 PolarHBondContact O-N 3.04Å; P140-T144 PolarHBondContact O-OG1 2.84Å; P140-L182 HydrophobicContact CB-CD1 3.79Å; P140-L182 HydrophobicContact CG-CD1 4.24Å |
| 141 | I | 98.8 | Very high | 98.6 | Very high | 46 Ų | 46 | 33.5 Ų | 33.5 | 24% | 0.236 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.4 | -52.9 | 174.2 | -67.4 | 166.9 | 0 | 0 | 0 | 109.7 | T137 V138 G139 V143 T144 L145 F185 | T137-I141 HydrophobicContact CG2-CD1 4.09Å; T137-I141 WeakPolarHBondContact O-CD1 3.34Å; T137-I141 WeakPolarHBondContact O-CG1 3.35Å; T137-I141 PolarHBondContact O-N 2.8Å; V138-I141 WeakPolarHBondContact O-CB 3.46Å; V138-I141 PolarHBondContact O-N 2.83Å; G139-I141 PolarHBondContact O-N 2.81Å; I141-V143 PolarHBondContact O-N 2.99Å; I141-T144 PolarHBondContact O-N 3.46Å; I141-L145 HydrophobicContact CG2-CD1 3.84Å; I141-L145 HydrophobicContact CG2-CG 4.31Å; I141-L145 VanDerWaalsContact O-CG 3.3Å; I141-L145 WeakPolarHBondContact O-CG 3.19Å; I141-L145 PolarHBondContact O-N 2.91Å; I141-F185 HydrophobicContact CB-CE2 4.38Å; I141-F185 HydrophobicContact CB-CZ 4.29Å; I141-F185 HydrophobicContact CD1-CB 4.36Å; I141-F185 HydrophobicContact CD1-CD2 4.12Å; I141-F185 HydrophobicContact CD1-CG 4.11Å; I141-F185 HydrophobicContact CG1-CB 4.35Å; I141-F185 HydrophobicContact CG1-CD1 3.74Å; I141-F185 HydrophobicContact CG1-CD2 3.68Å; I141-F185 HydrophobicContact CG1-CE1 3.85Å; I141-F185 HydrophobicContact CG1-CE2 3.8Å; I141-F185 HydrophobicContact CG1-CG 3.63Å; I141-F185 HydrophobicContact CG1-CZ 3.88Å; I141-F185 HydrophobicContact CG2-CE2 4.14Å; I141-F185 HydrophobicContact CG2-CZ 4.37Å |
| 142 | G | 98.8 | Very high | 98.6 | Very high | 30 Ų | 30 | 29.7 Ų | 29.7 | 31% | 0.309 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58.5 | -46.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V138 G139 T144 L145 A146 | V138-G142 PolarHBondContact O-N 2.99Å; G139-G142 PolarHBondContact O-N 3.4Å; G142-T144 PolarHBondContact O-N 2.91Å; G142-L145 PolarHBondContact O-N 3.25Å; G142-A146 WeakPolarHBondContact O-CB 3.44Å; G142-A146 PolarHBondContact O-N 3.38Å |
| 143 | V | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.6 | -46.3 | 175.8 | 173 | 0 | 0 | 0 | 0 | 111.4 | F32 T34 L81 I83 V89 L108 G139 I141 L145 A146 L147 | F32-V143 HydrophobicContact CE1-CG1 4.18Å; T34-V143 HydrophobicContact CG2-CG1 4.06Å; T34-V143 HydrophobicContact CG2-CG2 4.5Å; L81-V143 HydrophobicContact CD2-CG2 4.24Å; I83-V143 HydrophobicContact CB-CG2 4.25Å; I83-V143 HydrophobicContact CG2-CG2 3.81Å; V89-V143 HydrophobicContact CG1-CG2 4.28Å; V89-V143 HydrophobicContact CG2-CG2 4.13Å; L108-V143 HydrophobicContact CD1-CG1 3.92Å; L108-V143 HydrophobicContact CD2-CG1 4.37Å; G139-V143 WeakPolarHBondContact O-CG2 3.34Å; G139-V143 PolarHBondContact O-N 2.86Å; I141-V143 PolarHBondContact O-N 2.99Å; V143-L145 PolarHBondContact O-N 2.87Å; V143-A146 PolarHBondContact O-N 3.02Å; V143-L147 HydrophobicContact CG1-CD1 3.84Å; V143-L147 PolarHBondContact O-N 2.82Å; V143-L147 VanDerWaalsContact O-N 3.08Å |
| 144 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63 | -44.3 | -179.4 | -59 | 0 | 0 | 0 | 0 | 111.5 | L108 N110 P140 I141 G142 L147 L148 V158 F185 L189 | L108-T144 HydrophobicContact CD2-CG2 4.38Å; N110-T144 PolarHBondContact ND2-OG1 3.03Å; P140-T144 WeakPolarHBondContact O-CB 3.31Å; P140-T144 PolarHBondContact O-N 3.04Å; P140-T144 PolarHBondContact O-OG1 2.84Å; I141-T144 PolarHBondContact O-N 3.46Å; G142-T144 PolarHBondContact O-N 2.91Å; T144-L147 PolarHBondContact O-N 3.13Å; T144-L148 WeakPolarHBondContact O-CB 3.45Å; T144-L148 PolarHBondContact O-N 3.37Å; T144-V158 HydrophobicContact CG2-CG1 4.33Å; T144-V158 HydrophobicContact CG2-CG2 4.44Å; T144-F185 HydrophobicContact CG2-CZ 4.17Å; T144-L189 HydrophobicContact CG2-CD1 4.24Å; T144-L189 HydrophobicContact CG2-CD2 3.7Å |
| 145 | L | 98.8 | Very high | 98.4 | Very high | 101 Ų | 101 | 39.9 Ų | 39.9 | 53% | 0.529 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.9 | -41.5 | 178.7 | -67.8 | 176.9 | 0 | 0 | 0 | 111.7 | I141 G142 V143 L147 L148 | I141-L145 HydrophobicContact CG2-CD1 3.84Å; I141-L145 HydrophobicContact CG2-CG 4.31Å; I141-L145 VanDerWaalsContact O-CG 3.3Å; I141-L145 WeakPolarHBondContact O-CG 3.19Å; I141-L145 PolarHBondContact O-N 2.91Å; G142-L145 PolarHBondContact O-N 3.25Å; V143-L145 PolarHBondContact O-N 2.87Å; L145-L147 VanDerWaalsContact C-N 3.31Å; L145-L147 PolarHBondContact O-N 3.4Å; L145-L148 PolarHBondContact O-N 3.24Å |
| 146 | A | 98.8 | Very high | 98.4 | Very high | 24 Ų | 24 | 38.7 Ų | 38.7 | 20% | 0.198 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.5 | -32.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | V89 A93 G142 V143 | V89-A146 HydrophobicContact CG1-CB 3.78Å; A93-A146 HydrophobicContact CB-CB 3.95Å; G142-A146 WeakPolarHBondContact O-CB 3.44Å; G142-A146 PolarHBondContact O-N 3.38Å; V143-A146 PolarHBondContact O-N 3.02Å |
| 147 | L | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -96.6 | -3.2 | -179.1 | -66.3 | 172.9 | 0 | 0 | 0 | 113.7 | F32 A93 V96 L105 L108 V143 T144 L145 P149 L150 L151 | F32-L147 HydrophobicContact CD1-CD1 3.5Å; F32-L147 VanDerWaalsContact CD1-CD1 3.5Å; F32-L147 HydrophobicContact CE1-CD1 3.91Å; F32-L147 HydrophobicContact CG-CD1 4.24Å; A93-L147 HydrophobicContact CB-CD2 3.99Å; V96-L147 HydrophobicContact CB-CD2 3.92Å; V96-L147 HydrophobicContact CG1-CD2 3.92Å; V96-L147 HydrophobicContact CG2-CD2 4.21Å; L105-L147 HydrophobicContact CD2-CB 4.17Å; L105-L147 HydrophobicContact CD2-CD1 4.03Å; L105-L147 HydrophobicContact CD2-CD2 4.42Å; L105-L147 HydrophobicContact CD2-CG 4.45Å; L108-L147 HydrophobicContact CD1-CD1 3.86Å; L108-L147 HydrophobicContact CD2-CD1 4.37Å; V143-L147 HydrophobicContact CG1-CD1 3.84Å; V143-L147 PolarHBondContact O-N 2.82Å; V143-L147 VanDerWaalsContact O-N 3.08Å; T144-L147 PolarHBondContact O-N 3.13Å; L145-L147 VanDerWaalsContact C-N 3.31Å; L145-L147 PolarHBondContact O-N 3.4Å; L147-P149 VanDerWaalsContact C-CD 3.49Å; L147-L150 HydrophobicContact CD2-CD1 4.02Å; L147-L150 PolarHBondContact O-N 2.92Å; L147-L150 VanDerWaalsContact O-N 3.14Å; L147-L151 HydrophobicContact CB-CD1 4.4Å; L147-L151 PolarHBondContact O-N 2.95Å |
| 148 | L | 98.6 | Very high | 98.4 | Very high | 33 Ų | 33 | 38.8 Ų | 38.8 | 17% | 0.173 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.8 | -41.8 | -174.9 | -172 | 61.3 | 0 | 0 | 0 | 113.6 | T144 L145 L150 L151 Q152 V193 I198 | T144-L148 WeakPolarHBondContact O-CB 3.45Å; T144-L148 PolarHBondContact O-N 3.37Å; L145-L148 PolarHBondContact O-N 3.24Å; L148-L150 VanDerWaalsContact C-N 3.33Å; L148-L150 PolarHBondContact O-N 3.43Å; L148-L151 WeakPolarHBondContact O-CB 3.42Å; L148-L151 PolarHBondContact O-N 2.87Å; L148-Q152 HydrophobicContact CG-CG 4.46Å; L148-Q152 WeakPolarHBondContact O-CG 3.47Å; L148-Q152 PolarHBondContact O-N 2.95Å; L148-V193 HydrophobicContact CD1-CG1 3.94Å; L148-I198 HydrophobicContact CD1-CD1 3.79Å |
| 149 | P | 98.4 | Very high | 98.4 | Very high | 79 Ų | 79 | 35 Ų | 35 | 51% | 0.513 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.6 | -42.7 | 176.7 | -25.4 | 36.1 | 0 | 0 | 0 | 112.9 | L147 L151 Q152 Q153 | L147-P149 VanDerWaalsContact C-CD 3.49Å; P149-L151 VanDerWaalsContact C-N 3.35Å; P149-L151 PolarHBondContact O-N 2.92Å; P149-Q152 PolarHBondContact O-N 2.99Å; P149-Q153 PolarHBondContact O-N 2.81Å; P149-Q153 VanDerWaalsContact O-N 3.09Å |
| 150 | L | 98.7 | Very high | 98.4 | Very high | 14 Ų | 14 | 34.9 Ų | 34.9 | 7% | 0.073 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.5 | -35.7 | 178.9 | -56.6 | 177.8 | 0 | 0 | 0 | 111.7 | V96 E97 V100 L105 L147 L148 A154 | V96-L150 HydrophobicContact CB-CD1 4.43Å; V96-L150 HydrophobicContact CG1-CD1 3.85Å; E97-L150 HydrophobicContact CB-CD1 4.09Å; E97-L150 HydrophobicContact CB-CD2 4.42Å; E97-L150 HydrophobicContact CG-CD2 4.21Å; V100-L150 HydrophobicContact CG2-CD1 4.02Å; V100-L150 HydrophobicContact CG2-CD2 4.02Å; V100-L150 HydrophobicContact CG2-CG 4.44Å; L105-L150 HydrophobicContact CB-CB 3.8Å; L105-L150 PolarHBondContact N-O 3.23Å; L147-L150 HydrophobicContact CD2-CD1 4.02Å; L147-L150 PolarHBondContact O-N 2.92Å; L147-L150 VanDerWaalsContact O-N 3.14Å; L148-L150 VanDerWaalsContact C-N 3.33Å; L148-L150 PolarHBondContact O-N 3.43Å; L150-A154 PolarHBondContact O-N 3.12Å |
| 151 | L | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.9 | -39.7 | 173.8 | -72.2 | 161.3 | 0 | 0 | 0 | 111.6 | L105 L108 L147 L148 P149 A154 R155 G156 V158 I198 | L105-L151 HydrophobicContact CB-CD2 4.38Å; L105-L151 HydrophobicContact CB-CG 4.48Å; L105-L151 HydrophobicContact CD2-CD2 4.07Å; L105-L151 HydrophobicContact CD2-CG 4.17Å; L105-L151 HydrophobicContact CG-CD2 4.18Å; L108-L151 HydrophobicContact CB-CD1 4.25Å; L108-L151 HydrophobicContact CB-CD2 4.03Å; L108-L151 HydrophobicContact CD2-CD1 4.05Å; L147-L151 HydrophobicContact CB-CD1 4.4Å; L147-L151 PolarHBondContact O-N 2.95Å; L148-L151 WeakPolarHBondContact O-CB 3.42Å; L148-L151 PolarHBondContact O-N 2.87Å; P149-L151 VanDerWaalsContact C-N 3.35Å; P149-L151 PolarHBondContact O-N 2.92Å; L151-A154 PolarHBondContact O-N 3.12Å; L151-R155 WeakPolarHBondContact O-CA 3.33Å; L151-R155 PolarHBondContact O-N 2.96Å; L151-G156 PolarHBondContact O-N 3.34Å; L151-V158 HydrophobicContact CD1-CG2 3.61Å; L151-V158 HydrophobicContact CD2-CG2 4.23Å; L151-I198 HydrophobicContact CB-CD1 3.93Å; L151-I198 HydrophobicContact CB-CG1 4.5Å |
| 152 | Q | 98.2 | Very high | 98.3 | Very high | 65 Ų | 65 | 33.1 Ų | 33.1 | 30% | 0.304 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.8 | -43.5 | 177.3 | -73.3 | 174.1 | -26.7 | 0 | 0 | 111 | L148 P149 A154 R155 F196 I198 | L148-Q152 HydrophobicContact CG-CG 4.46Å; L148-Q152 WeakPolarHBondContact O-CG 3.47Å; L148-Q152 PolarHBondContact O-N 2.95Å; P149-Q152 PolarHBondContact O-N 2.99Å; Q152-A154 VanDerWaalsContact C-N 3.35Å; Q152-A154 PolarHBondContact O-N 3.16Å; Q152-R155 PolarHBondContact O-N 3.49Å; Q152-R155 VanDerWaalsContact O-N 3.12Å; Q152-F196 HydrophobicContact CG-CB 4.06Å; Q152-F196 HydrophobicContact CG-CD1 4.43Å; Q152-F196 HydrophobicContact CG-CD2 4.3Å; Q152-F196 HydrophobicContact CG-CG 4.02Å; Q152-F196 VanDerWaalsContact NE2-CE2 3.27Å; Q152-I198 HydrophobicContact CB-CD1 4.33Å; Q152-I198 HydrophobicContact CG-CD1 3.61Å |
| 153 | Q | 97.4 | Very high | 98.2 | Very high | 96 Ų | 96 | 32.1 Ų | 32.1 | 45% | 0.449 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -58.5 | -43.7 | 178.8 | -174.8 | 176.2 | -13 | 0 | 0 | 112.7 | K101 E102 P149 R155 | K101-Q153 PolarHBondContact O-NE2 2.55Å; K101-Q153 VanDerWaalsContact O-NE2 3.14Å; E102-Q153 PolarHBondContact O-NE2 3.1Å; P149-Q153 PolarHBondContact O-N 2.81Å; P149-Q153 VanDerWaalsContact O-N 3.09Å; Q153-R155 VanDerWaalsContact C-N 3.35Å |
| 154 | A | 96.8 | Very high | 98.1 | Very high | 29 Ų | 29 | 32 Ų | 32 | 24% | 0.24 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -84.6 | -5.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A103 L105 L150 L151 Q152 G156 | A103-A154 WeakPolarHBondContact O-CB 3.5Å; L105-A154 VanDerWaalsContact C-CB 3.49Å; L105-A154 WeakPolarHBondContact O-CB 3.34Å; L150-A154 PolarHBondContact O-N 3.12Å; L151-A154 PolarHBondContact O-N 3.12Å; Q152-A154 VanDerWaalsContact C-N 3.35Å; Q152-A154 PolarHBondContact O-N 3.16Å; A154-G156 PolarHBondContact O-N 3.39Å |
| 155 | R | 97.3 | Very high | 98 | Very high | 190 Ų | 190 | 32.1 Ų | 32.1 | 72% | 0.717 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 45.7 | -164.1 | -55.1 | 178 | -178 | 178.8 | -0.1 | 110.8 | L151 Q152 Q153 | L151-R155 WeakPolarHBondContact O-CA 3.33Å; L151-R155 PolarHBondContact O-N 2.96Å; Q152-R155 PolarHBondContact O-N 3.49Å; Q152-R155 VanDerWaalsContact O-N 3.12Å; Q153-R155 VanDerWaalsContact C-N 3.35Å |
| 156 | G | 97.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -75 | -160.8 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114 | F106 L151 A154 I198 R199 | F106-G156 CarbonylContact O-C 3.53Å; F106-G156 WeakPolarHBondContact O-CA 3.48Å; L151-G156 PolarHBondContact O-N 3.34Å; A154-G156 PolarHBondContact O-N 3.39Å; G156-I198 WeakPolarHBondContact O-CA 3.42Å; G156-R199 PolarHBondContact O-N 3.39Å; G156-R199 VanDerWaalsContact O-N 3.1Å | ||
| 157 | R | 98.4 | Very high | 97.7 | Very high | 17 Ų | 17 | 29.2 Ų | 29.2 | 6% | 0.064 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 139.1 | -172.5 | -56.4 | -179.7 | 178.5 | -132.5 | 1.8 | 110.7 | F106 G107 L108 R199 A271 L272 A274 | F106-R157 PolarHBondContact O-N 3.46Å; G107-R157 CarbonylContact C-O 3.56Å; G107-R157 WeakPolarHBondContact CA-O 3.45Å; L108-R157 PolarHBondContact N-O 2.99Å; R157-R199 CarbonylContact C-O 3.54Å; R157-R199 VanDerWaalsContact CA-O 3.25Å; R157-R199 WeakPolarHBondContact CA-O 3.38Å; R157-R199 HydrophobicContact CG-CB 4.38Å; R157-A271 PolarHBondContact NH1-O 3.26Å; R157-L272 WeakPolarHBondContact CD-O 3.37Å; R157-L272 PolarHBondContact NE-O 3.35Å; R157-L272 PolarHBondContact NH1-O 2.9Å; R157-A274 PolarHBondContact NH1-O 3.43Å; R157-A274 PolarHBondContact NH2-O 2.94Å |
| 158 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 129.1 | 171.5 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | L108 T144 L151 L189 I198 R199 V200 S201 | L108-V158 HydrophobicContact CB-CG2 4.48Å; L108-V158 HydrophobicContact CD2-CG1 4.26Å; L108-V158 HydrophobicContact CD2-CG2 4.47Å; L108-V158 CarbonylContact O-C 3.56Å; L108-V158 WeakPolarHBondContact O-CA 3.41Å; T144-V158 HydrophobicContact CG2-CG1 4.33Å; T144-V158 HydrophobicContact CG2-CG2 4.44Å; L151-V158 HydrophobicContact CD1-CG2 3.61Å; L151-V158 HydrophobicContact CD2-CG2 4.23Å; V158-L189 HydrophobicContact CB-CD2 4.42Å; V158-L189 HydrophobicContact CG1-CD2 4.13Å; V158-I198 HydrophobicContact CG2-CG2 4.23Å; V158-R199 PolarHBondContact N-O 3.13Å; V158-V200 HydrophobicContact CB-CG1 4.43Å; V158-V200 HydrophobicContact CB-CG2 4.26Å; V158-V200 CarbonylContact O-C 3.53Å; V158-V200 VanDerWaalsContact O-CA 3.28Å; V158-V200 WeakPolarHBondContact O-CA 3.31Å; V158-S201 PolarHBondContact O-N 3.45Å |
| 159 | I | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 120 | 177.1 | -59.5 | 159.5 | 0 | 0 | 0 | 108.2 | L108 V109 N110 S201 V203 L268 A271 L272 | L108-I159 PolarHBondContact O-N 2.92Å; V109-I159 WeakPolarHBondContact CA-O 3.47Å; V109-I159 HydrophobicContact CG2-CB 4.39Å; V109-I159 HydrophobicContact CG2-CD1 4.16Å; N110-I159 PolarHBondContact N-O 3.43Å; I159-S201 WeakPolarHBondContact CA-O 3.29Å; I159-V203 HydrophobicContact CG2-CG2 3.74Å; I159-L268 HydrophobicContact CG2-CD2 3.67Å; I159-A271 HydrophobicContact CD1-CB 3.56Å; I159-A271 HydrophobicContact CG1-CB 3.86Å; I159-L272 HydrophobicContact CD1-CB 4.33Å; I159-L272 HydrophobicContact CD1-CD1 4.42Å; I159-L272 HydrophobicContact CD1-CD2 3.47Å; I159-L272 VanDerWaalsContact CD1-CD2 3.47Å; I159-L272 HydrophobicContact CD1-CG 3.39Å |
| 160 | N | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 123.2 | 177.7 | -68.2 | -30.5 | 0 | 0 | 0 | 109.2 | N110 T162 L182 S186 S201 V203 | N110-N160 WeakPolarHBondContact CB-OD1 3.25Å; N110-N160 PolarHBondContact ND2-OD1 3.48Å; N160-T162 PolarHBondContact O-N 3.44Å; N160-L182 HydrophobicContact CB-CD1 4.26Å; N160-L182 HydrophobicContact CB-CD2 4.24Å; N160-L182 HydrophobicContact CB-CG 4.18Å; N160-S186 WeakPolarHBondContact CB-OG 3.21Å; N160-S186 PolarHBondContact ND2-OG 3.07Å; N160-S201 PolarHBondContact N-O 2.95Å; N160-V203 PolarHBondContact O-N 3.49Å |
| 161 | I | 98.4 | Very high | 96.4 | Very high | 8 Ų | 8 | 30.2 Ų | 30.2 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 104.8 | 174.8 | -52 | -169.4 | 0 | 0 | 0 | 108.7 | V109 N110 N111 K179 V203 P205 L268 | V109-I161 HydrophobicContact CG1-CD1 4.33Å; V109-I161 HydrophobicContact CG1-CG1 4.49Å; N110-I161 PolarHBondContact O-N 3.4Å; N111-I161 HydrophobicContact CB-CD1 3.55Å; N111-I161 HydrophobicContact CB-CG1 4.28Å; N111-I161 WeakPolarHBondContact OD1-CD1 3.46Å; I161-K179 PolarHBondContact O-NZ 2.92Å; I161-V203 CarbonylContact C-O 3.51Å; I161-P205 HydrophobicContact CG2-CG 3.98Å; I161-L268 HydrophobicContact CD1-CD1 3.74Å; I161-L268 HydrophobicContact CD1-CD2 3.69Å; I161-L268 HydrophobicContact CD1-CG 4.36Å; I161-L268 HydrophobicContact CG1-CD2 3.81Å |
| 162 | T | 97.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | trans | -92.3 | -124.4 | 176.1 | 61.2 | 0 | 0 | 0 | 0 | 109.7 | N160 K179 L182 E183 I202 V203 E204 | N160-T162 PolarHBondContact O-N 3.44Å; T162-K179 VanDerWaalsContact O-CE 3.29Å; T162-K179 WeakPolarHBondContact O-CE 3.37Å; T162-K179 PolarHBondContact O-NZ 3.22Å; T162-L182 HydrophobicContact CG2-CB 4.09Å; T162-L182 HydrophobicContact CG2-CD2 3.87Å; T162-L182 HydrophobicContact CG2-CG 3.84Å; T162-E183 WeakPolarHBondContact CB-OE1 3.16Å; T162-E183 HydrophobicContact CG2-CG 4.1Å; T162-E183 VanDerWaalsContact CG2-OE1 3.31Å; T162-E183 WeakPolarHBondContact CG2-OE1 3.29Å; T162-E183 PolarHBondContact OG1-OE1 3.05Å; T162-I202 HydrophobicContact CG2-CG2 3.67Å; T162-I202 VanDerWaalsContact OG1-CG2 3.28Å; T162-I202 WeakPolarHBondContact OG1-CG2 3.5Å; T162-V203 PolarHBondContact N-O 3.36Å; T162-V203 PolarHBondContact OG1-O 3Å; T162-E204 WeakPolarHBondContact OG1-CG 3.4Å | ||
| 163 | S | 97.1 | Very high | 95.5 | Very high | 9 Ų | 9 | 28.1 Ų | 28.1 | 6% | 0.063 | 15% | 0.149 | C | C | . | . | trans | -175.5 | 158.9 | 175.9 | 175.9 | 0 | 0 | 0 | 0 | 107.7 | L165 G166 | S163-L165 PolarHBondContact O-N 3.37Å; S163-L165 VanDerWaalsContact O-N 3.12Å; S163-L165 PolarHBondContact OG-N 2.69Å; S163-G166 WeakPolarHBondContact O-CA 3.42Å; S163-G166 PolarHBondContact O-N 3.42Å | ||
| 164 | V | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -53.1 | -25.8 | 161.6 | -65.4 | 0 | 0 | 0 | 0 | 112.8 | G166 R167 L168 P205 F207 A287 W291 | V164-G166 PolarHBondContact O-N 3.48Å; V164-R167 WeakPolarHBondContact O-CA 3.15Å; V164-R167 WeakPolarHBondContact O-CB 3.42Å; V164-R167 PolarHBondContact O-N 2.86Å; V164-L168 PolarHBondContact O-N 3.39Å; V164-L168 VanDerWaalsContact O-N 3.13Å; V164-P205 PolarHBondContact N-O 3.13Å; V164-F207 HydrophobicContact CG2-CE2 4.31Å; V164-A287 HydrophobicContact CG1-CB 3.36Å; V164-W291 HydrophobicContact CB-CB 3.7Å; V164-W291 HydrophobicContact CB-CG 4.01Å; V164-W291 HydrophobicContact CG1-CB 4.09Å; V164-W291 HydrophobicContact CG2-CB 4.09Å; V164-W291 HydrophobicContact CG2-CD2 4.42Å; V164-W291 HydrophobicContact CG2-CG 3.81Å |
| 165 | L | 95.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.016 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -75.7 | -2 | 173.6 | -60.8 | -176.8 | 0 | 0 | 0 | 114.2 | S163 R167 L168 A170 N171 Y175 F180 F207 | S163-L165 PolarHBondContact O-N 3.37Å; S163-L165 VanDerWaalsContact O-N 3.12Å; S163-L165 PolarHBondContact OG-N 2.69Å; L165-R167 VanDerWaalsContact C-N 3.33Å; L165-L168 WeakPolarHBondContact CA-O 3.32Å; L165-L168 WeakPolarHBondContact CD2-O 3.36Å; L165-A170 HydrophobicContact CD2-CB 3.84Å; L165-N171 HydrophobicContact CD1-CB 4.49Å; L165-N171 VanDerWaalsContact CD1-ND2 3.31Å; L165-N171 WeakPolarHBondContact CD1-ND2 3.41Å; L165-Y175 HydrophobicContact CB-CD1 4.21Å; L165-Y175 HydrophobicContact CB-CE1 4.13Å; L165-Y175 HydrophobicContact CD1-CD1 3.83Å; L165-Y175 HydrophobicContact CD1-CE1 3.9Å; L165-F180 VanDerWaalsContact O-CD2 3.29Å; L165-F180 WeakPolarHBondContact O-CD2 3.2Å; L165-F180 WeakPolarHBondContact O-CE2 3.25Å; L165-F207 HydrophobicContact CD1-CZ 4.1Å; L165-F207 HydrophobicContact CG-CZ 4.45Å |
| 166 | G | 95.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 15 Ų | 15 | 3% | 0.031 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -85.6 | -6.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S163 V164 F180 | S163-G166 WeakPolarHBondContact O-CA 3.42Å; S163-G166 PolarHBondContact O-N 3.42Å; V164-G166 PolarHBondContact O-N 3.48Å; G166-F180 VanDerWaalsContact C-CE2 3.48Å; G166-F180 VanDerWaalsContact O-CD1 3.29Å; G166-F180 WeakPolarHBondContact O-CD1 3.44Å; G166-F180 VanDerWaalsContact O-CE1 3.3Å; G166-F180 WeakPolarHBondContact O-CE1 3.25Å; G166-F180 WeakPolarHBondContact O-CG 3.38Å; G166-F180 WeakPolarHBondContact O-CZ 3.26Å |
| 167 | R | 96 | Very high | 95.4 | Very high | 61 Ų | 61 | 18.7 Ų | 18.7 | 23% | 0.23 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -35.6 | 178.6 | -60.4 | -64.3 | -58.9 | -154.4 | 2.7 | 112.2 | V164 L165 F180 E204 L292 S295 Y296 | V164-R167 WeakPolarHBondContact O-CA 3.15Å; V164-R167 WeakPolarHBondContact O-CB 3.42Å; V164-R167 PolarHBondContact O-N 2.86Å; L165-R167 VanDerWaalsContact C-N 3.33Å; R167-F180 VanDerWaalsContact C-CZ 3.41Å; R167-F180 WeakPolarHBondContact O-CZ 3.29Å; R167-E204 WeakPolarHBondContact CD-OE1 3.2Å; R167-E204 IonicContact NH1-OE1 3.92Å; R167-L292 HydrophobicContact CB-CD2 4.2Å; R167-L292 HydrophobicContact CG-CD2 3.82Å; R167-S295 WeakPolarHBondContact O-CB 3.32Å; R167-Y296 PolarHBondContact NH2-OH 3.31Å |
| 168 | L | 95.5 | Very high | 95.4 | Very high | 26 Ų | 26 | 17.9 Ų | 17.9 | 14% | 0.136 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -140.1 | 122.1 | 175.9 | 175.2 | 61.6 | 0 | 0 | 0 | 110 | V164 L165 A170 W291 A294 V302 | V164-L168 PolarHBondContact O-N 3.39Å; V164-L168 VanDerWaalsContact O-N 3.13Å; L165-L168 WeakPolarHBondContact CA-O 3.32Å; L165-L168 WeakPolarHBondContact CD2-O 3.36Å; L168-A170 PolarHBondContact O-N 3.39Å; L168-W291 HydrophobicContact CD2-CE3 4.1Å; L168-W291 HydrophobicContact CD2-CZ3 4.44Å; L168-A294 HydrophobicContact CD2-CB 3.67Å; L168-V302 HydrophobicContact CD1-CG1 3.81Å; L168-V302 HydrophobicContact CD2-CG1 3.76Å; L168-V302 HydrophobicContact CG-CG1 4.35Å |
| 169 | A | 94.5 | Very high | 95.3 | Very high | 58 Ų | 58 | 18.3 Ų | 18.3 | 48% | 0.479 | 11% | 0.111 | S | C | . | . | trans | -80.7 | 100.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | C176 F180 | A169-C176 HydrophobicContact CB-CB 3.88Å; A169-F180 HydrophobicContact CB-CE2 4.07Å | ||
| 170 | A | 90.8 | Very high | 95.3 | Very high | 20 Ų | 20 | 22.2 Ų | 22.2 | 17% | 0.165 | 13% | 0.128 | C | C | . | . | trans | -105.3 | -10.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L165 L168 W291 L306 | L165-A170 HydrophobicContact CD2-CB 3.84Å; L168-A170 PolarHBondContact O-N 3.39Å; A170-W291 HydrophobicContact CB-CE3 4.44Å; A170-W291 HydrophobicContact CB-CH2 3.83Å; A170-W291 HydrophobicContact CB-CZ3 3.46Å; A170-W291 VanDerWaalsContact CB-CZ3 3.46Å; A170-L306 HydrophobicContact CB-CD1 4.04Å; A170-L306 HydrophobicContact CB-CD2 4.16Å | ||
| 171 | N | 87.1 | Confident | 95.3 | Very high | 46 Ų | 46 | 23.5 Ų | 23.5 | 25% | 0.246 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -120.1 | 144.1 | -177.3 | -71.7 | -19.5 | 0 | 0 | 0 | 110.8 | I118 L165 C176 | I118-N171 HydrophobicContact CG2-CB 4.03Å; L165-N171 HydrophobicContact CD1-CB 4.49Å; L165-N171 VanDerWaalsContact CD1-ND2 3.31Å; L165-N171 WeakPolarHBondContact CD1-ND2 3.41Å; N171-C176 PolarHBondContact O-SG 2.79Å |
| 172 | G | 86.3 | Confident | 95.3 | Very high | 18 Ų | 18 | 23.2 Ų | 23.2 | 19% | 0.186 | 14% | 0.14 | C | C | . | . | trans | -73.8 | 162.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G119 | G119-G172 CarbonylContact O-C 3.6Å; G119-G172 VanDerWaalsContact O-CA 3.31Å; G119-G172 WeakPolarHBondContact O-CA 3.32Å | ||
| 173 | G | 91.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 88.2 | -170.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L124 F129 Y175 | L124-G173 VanDerWaalsContact CD2-CA 3.42Å; F129-G173 VanDerWaalsContact CE1-C 3.41Å; F129-G173 WeakPolarHBondContact CE1-O 3.28Å; G173-Y175 VanDerWaalsContact C-N 3.31Å; G173-Y175 PolarHBondContact O-N 2.94Å |
| 174 | G | 95.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -73.3 | -15.5 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | S178 | G174-S178 WeakPolarHBondContact O-CB 3.3Å; G174-S178 PolarHBondContact O-N 3.27Å; G174-S178 PolarHBondContact O-OG 2.94Å |
| 175 | Y | 96.3 | Very high | 95.5 | Very high | 34 Ų | 34 | 27.8 Ų | 27.8 | 13% | 0.133 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.7 | -56.7 | -171.5 | -170.3 | -99.8 | 0 | 0 | 0 | 112.9 | V114 L165 G173 V177 S178 K179 | V114-Y175 WeakPolarHBondContact O-CD2 3.36Å; L165-Y175 HydrophobicContact CB-CD1 4.21Å; L165-Y175 HydrophobicContact CB-CE1 4.13Å; L165-Y175 HydrophobicContact CD1-CD1 3.83Å; L165-Y175 HydrophobicContact CD1-CE1 3.9Å; G173-Y175 VanDerWaalsContact C-N 3.31Å; G173-Y175 PolarHBondContact O-N 2.94Å; Y175-V177 PolarHBondContact O-N 3.01Å; Y175-S178 PolarHBondContact O-N 3.26Å; Y175-S178 VanDerWaalsContact O-N 3.15Å; Y175-S178 PolarHBondContact O-OG 2.95Å; Y175-K179 HydrophobicContact CD1-CG 4.28Å; Y175-K179 HydrophobicContact CE1-CG 3.88Å; Y175-K179 HydrophobicContact CE2-CG 4.38Å; Y175-K179 PolarHBondContact O-N 3.5Å; Y175-K179 WeakPolarHBondContact OH-CE 3.3Å |
| 176 | C | 96.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 3% | 0.027 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.9 | -50.7 | 179.7 | -59.7 | 0 | 0 | 0 | 0 | 110.3 | A169 N171 S178 K179 F180 | A169-C176 HydrophobicContact CB-CB 3.88Å; N171-C176 PolarHBondContact O-SG 2.79Å; C176-S178 PolarHBondContact O-N 2.9Å; C176-K179 PolarHBondContact O-N 3.26Å; C176-F180 WeakPolarHBondContact O-CD2 3.3Å; C176-F180 PolarHBondContact O-N 3.23Å |
| 177 | V | 97.4 | Very high | 95.8 | Very high | 77 Ų | 77 | 29.1 Ų | 29.1 | 47% | 0.467 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -53.2 | -44.9 | 178.5 | -172.6 | 0 | 0 | 0 | 0 | 111 | F129 L133 Y175 K179 G181 | F129-V177 HydrophobicContact CD1-CG2 4.38Å; F129-V177 HydrophobicContact CE1-CG2 4.21Å; L133-V177 HydrophobicContact CD2-CB 4.49Å; L133-V177 HydrophobicContact CD2-CG1 4.05Å; Y175-V177 PolarHBondContact O-N 3.01Å; V177-K179 PolarHBondContact O-N 3.08Å; V177-G181 PolarHBondContact O-N 2.92Å |
| 178 | S | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.3 | -38.4 | 179.8 | 76.8 | 0 | 0 | 0 | 0 | 113.9 | N136 T137 G174 Y175 C176 G181 L182 | N136-S178 VanDerWaalsContact CB-OG 3.27Å; N136-S178 WeakPolarHBondContact CB-OG 3.41Å; N136-S178 PolarHBondContact ND2-OG 2.65Å; N136-S178 VanDerWaalsContact ND2-OG 3.08Å; T137-S178 WeakPolarHBondContact OG1-CA 3.45Å; T137-S178 WeakPolarHBondContact OG1-CB 3.48Å; T137-S178 PolarHBondContact OG1-O 3.22Å; G174-S178 WeakPolarHBondContact O-CB 3.3Å; G174-S178 PolarHBondContact O-N 3.27Å; G174-S178 PolarHBondContact O-OG 2.94Å; Y175-S178 PolarHBondContact O-N 3.26Å; Y175-S178 VanDerWaalsContact O-N 3.15Å; Y175-S178 PolarHBondContact O-OG 2.95Å; C176-S178 PolarHBondContact O-N 2.9Å; S178-G181 PolarHBondContact O-N 3.33Å; S178-L182 PolarHBondContact O-N 3.26Å |
| 179 | K | 97.7 | Very high | 96.1 | Very high | 9 Ų | 9 | 27.8 Ų | 27.8 | 4% | 0.039 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -74.4 | -37.5 | 179.7 | -65.9 | -51.5 | -163 | 174 | 0 | 111.8 | I161 T162 Y175 C176 V177 G181 L182 E183 | I161-K179 PolarHBondContact O-NZ 2.92Å; T162-K179 VanDerWaalsContact O-CE 3.29Å; T162-K179 WeakPolarHBondContact O-CE 3.37Å; T162-K179 PolarHBondContact O-NZ 3.22Å; Y175-K179 HydrophobicContact CD1-CG 4.28Å; Y175-K179 HydrophobicContact CE1-CG 3.88Å; Y175-K179 HydrophobicContact CE2-CG 4.38Å; Y175-K179 PolarHBondContact O-N 3.5Å; Y175-K179 WeakPolarHBondContact OH-CE 3.3Å; C176-K179 PolarHBondContact O-N 3.26Å; V177-K179 PolarHBondContact O-N 3.08Å; K179-G181 VanDerWaalsContact C-N 3.33Å; K179-L182 PolarHBondContact O-N 3.46Å; K179-E183 WeakPolarHBondContact O-CG 3.29Å; K179-E183 PolarHBondContact O-N 3.25Å |
| 180 | F | 98.4 | Very high | 96.3 | Very high | 83 Ų | 83 | 29 Ų | 29 | 36% | 0.364 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 168.7 | -88.8 | -94.1 | 0 | 0 | 0 | 112 | L165 G166 R167 A169 C176 L182 E183 A184 | L165-F180 VanDerWaalsContact O-CD2 3.29Å; L165-F180 WeakPolarHBondContact O-CD2 3.2Å; L165-F180 WeakPolarHBondContact O-CE2 3.25Å; G166-F180 VanDerWaalsContact C-CE2 3.48Å; G166-F180 VanDerWaalsContact O-CD1 3.29Å; G166-F180 WeakPolarHBondContact O-CD1 3.44Å; G166-F180 VanDerWaalsContact O-CE1 3.3Å; G166-F180 WeakPolarHBondContact O-CE1 3.25Å; G166-F180 WeakPolarHBondContact O-CG 3.38Å; G166-F180 WeakPolarHBondContact O-CZ 3.26Å; R167-F180 VanDerWaalsContact C-CZ 3.41Å; R167-F180 WeakPolarHBondContact O-CZ 3.29Å; A169-F180 HydrophobicContact CB-CE2 4.07Å; C176-F180 WeakPolarHBondContact O-CD2 3.3Å; C176-F180 PolarHBondContact O-N 3.23Å; F180-L182 VanDerWaalsContact C-N 3.33Å; F180-L182 PolarHBondContact O-N 3.08Å; F180-E183 WeakPolarHBondContact O-CB 3.29Å; F180-E183 PolarHBondContact O-N 3.29Å; F180-A184 PolarHBondContact O-N 3.38Å; F180-A184 VanDerWaalsContact O-N 3.08Å |
| 181 | G | 98.5 | Very high | 96.6 | Very high | 26 Ų | 26 | 35.3 Ų | 35.3 | 27% | 0.268 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.3 | -42.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V177 S178 K179 A184 F185 | V177-G181 PolarHBondContact O-N 2.92Å; S178-G181 PolarHBondContact O-N 3.33Å; K179-G181 VanDerWaalsContact C-N 3.33Å; G181-A184 PolarHBondContact O-N 2.81Å; G181-F185 PolarHBondContact O-N 3.06Å |
| 182 | L | 98.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.8 | -34.7 | 178.2 | -172.7 | 62.7 | 0 | 0 | 0 | 112.7 | P140 N160 T162 S178 K179 F180 F185 S186 | P140-L182 HydrophobicContact CB-CD1 3.79Å; P140-L182 HydrophobicContact CG-CD1 4.24Å; N160-L182 HydrophobicContact CB-CD1 4.26Å; N160-L182 HydrophobicContact CB-CD2 4.24Å; N160-L182 HydrophobicContact CB-CG 4.18Å; T162-L182 HydrophobicContact CG2-CB 4.09Å; T162-L182 HydrophobicContact CG2-CD2 3.87Å; T162-L182 HydrophobicContact CG2-CG 3.84Å; S178-L182 PolarHBondContact O-N 3.26Å; K179-L182 PolarHBondContact O-N 3.46Å; F180-L182 VanDerWaalsContact C-N 3.33Å; F180-L182 PolarHBondContact O-N 3.08Å; L182-F185 HydrophobicContact CD1-CD1 4.09Å; L182-S186 WeakPolarHBondContact O-CB 3.4Å; L182-S186 PolarHBondContact O-N 3.16Å; L182-S186 PolarHBondContact O-OG 3.31Å |
| 183 | E | 98.6 | Very high | 97.7 | Very high | 11 Ų | 11 | 37.5 Ų | 37.5 | 5% | 0.051 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.4 | -52.6 | 169.9 | -74.2 | -70.8 | 149.3 | 0 | 0 | 111.2 | T162 K179 F180 F185 S186 D187 I202 E204 R280 | T162-E183 WeakPolarHBondContact CB-OE1 3.16Å; T162-E183 HydrophobicContact CG2-CG 4.1Å; T162-E183 VanDerWaalsContact CG2-OE1 3.31Å; T162-E183 WeakPolarHBondContact CG2-OE1 3.29Å; T162-E183 PolarHBondContact OG1-OE1 3.05Å; K179-E183 WeakPolarHBondContact O-CG 3.29Å; K179-E183 PolarHBondContact O-N 3.25Å; F180-E183 WeakPolarHBondContact O-CB 3.29Å; F180-E183 PolarHBondContact O-N 3.29Å; E183-F185 PolarHBondContact O-N 3.21Å; E183-S186 WeakPolarHBondContact O-CB 3.3Å; E183-S186 PolarHBondContact O-N 3.02Å; E183-S186 VanDerWaalsContact O-N 3.14Å; E183-D187 PolarHBondContact O-N 2.84Å; E183-I202 WeakPolarHBondContact OE1-CG2 3.32Å; E183-I202 VanDerWaalsContact OE2-CD1 3.29Å; E183-I202 WeakPolarHBondContact OE2-CD1 3.36Å; E183-E204 WeakPolarHBondContact OE1-CG 3.47Å; E183-R280 IonicContact OE2-CZ 3.65Å; E183-R280 IonicContact OE2-NE 3.67Å; E183-R280 IonicContact OE2-NH2 2.99Å; E183-R280 PolarHBondContact OE2-NH2 3.02Å |
| 184 | A | 98.6 | Very high | 98 | Very high | 60 Ų | 60 | 40 Ų | 40 | 50% | 0.496 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.5 | -44.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F180 G181 S186 D187 S188 | F180-A184 PolarHBondContact O-N 3.38Å; F180-A184 VanDerWaalsContact O-N 3.08Å; G181-A184 PolarHBondContact O-N 2.81Å; A184-S186 VanDerWaalsContact C-N 3.32Å; A184-S186 PolarHBondContact O-N 3.28Å; A184-D187 PolarHBondContact O-N 3.32Å; A184-S188 PolarHBondContact O-N 3.09Å; A184-S188 VanDerWaalsContact O-N 3.12Å; A184-S188 PolarHBondContact O-OG 3.33Å |
| 185 | F | 98.8 | Very high | 98.1 | Very high | 36 Ų | 36 | 46.8 Ų | 46.8 | 16% | 0.158 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.5 | -45.8 | 173.8 | 170.7 | -112.8 | 0 | 0 | 0 | 111.6 | I141 T144 G181 L182 E183 D187 S188 L189 | I141-F185 HydrophobicContact CB-CE2 4.38Å; I141-F185 HydrophobicContact CB-CZ 4.29Å; I141-F185 HydrophobicContact CD1-CB 4.36Å; I141-F185 HydrophobicContact CD1-CD2 4.12Å; I141-F185 HydrophobicContact CD1-CG 4.11Å; I141-F185 HydrophobicContact CG1-CB 4.35Å; I141-F185 HydrophobicContact CG1-CD1 3.74Å; I141-F185 HydrophobicContact CG1-CD2 3.68Å; I141-F185 HydrophobicContact CG1-CE1 3.85Å; I141-F185 HydrophobicContact CG1-CE2 3.8Å; I141-F185 HydrophobicContact CG1-CG 3.63Å; I141-F185 HydrophobicContact CG1-CZ 3.88Å; I141-F185 HydrophobicContact CG2-CE2 4.14Å; I141-F185 HydrophobicContact CG2-CZ 4.37Å; T144-F185 HydrophobicContact CG2-CZ 4.17Å; G181-F185 PolarHBondContact O-N 3.06Å; L182-F185 HydrophobicContact CD1-CD1 4.09Å; E183-F185 PolarHBondContact O-N 3.21Å; F185-D187 PolarHBondContact O-N 2.85Å; F185-S188 PolarHBondContact O-N 2.77Å; F185-L189 HydrophobicContact CE1-CD2 4.1Å; F185-L189 HydrophobicContact CE2-CB 4.4Å; F185-L189 HydrophobicContact CZ-CB 4.37Å; F185-L189 HydrophobicContact CZ-CD1 4.28Å; F185-L189 HydrophobicContact CZ-CD2 4.04Å; F185-L189 HydrophobicContact CZ-CG 4.47Å; F185-L189 VanDerWaalsContact O-CB 3.28Å; F185-L189 WeakPolarHBondContact O-CB 3.22Å; F185-L189 PolarHBondContact O-N 3.14Å |
| 186 | S | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | -177.3 | -58.2 | 0 | 0 | 0 | 0 | 112.7 | N160 L182 E183 A184 R190 I202 | N160-S186 WeakPolarHBondContact CB-OG 3.21Å; N160-S186 PolarHBondContact ND2-OG 3.07Å; L182-S186 WeakPolarHBondContact O-CB 3.4Å; L182-S186 PolarHBondContact O-N 3.16Å; L182-S186 PolarHBondContact O-OG 3.31Å; E183-S186 WeakPolarHBondContact O-CB 3.3Å; E183-S186 PolarHBondContact O-N 3.02Å; E183-S186 VanDerWaalsContact O-N 3.14Å; A184-S186 VanDerWaalsContact C-N 3.32Å; A184-S186 PolarHBondContact O-N 3.28Å; S186-R190 VanDerWaalsContact O-CB 3.28Å; S186-R190 WeakPolarHBondContact O-CB 3.34Å; S186-R190 PolarHBondContact O-N 2.82Å; S186-I202 VanDerWaalsContact CB-CD1 3.48Å |
| 187 | D | 98.4 | Very high | 98.2 | Very high | 34 Ų | 34 | 50.5 Ų | 50.5 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.5 | -33.7 | 177.7 | -94.7 | -32.9 | 0 | 0 | 0 | 113.5 | E183 A184 F185 R190 R191 R280 | E183-D187 PolarHBondContact O-N 2.84Å; A184-D187 PolarHBondContact O-N 3.32Å; F185-D187 PolarHBondContact O-N 2.85Å; D187-R190 IonicContact OD1-CZ 3.76Å; D187-R190 IonicContact OD1-NE 3.58Å; D187-R190 PolarHBondContact OD1-NE 2.87Å; D187-R190 IonicContact OD1-NH2 2.57Å; D187-R190 PolarHBondContact OD1-NH2 3.36Å; D187-R191 PolarHBondContact O-NE 3.29Å; D187-R280 IonicContact OD1-NH1 3.36Å; D187-R280 PolarHBondContact OD1-NH1 3.04Å; D187-R280 IonicContact OD1-NH2 3Å; D187-R280 IonicContact OD2-CZ 2.7Å; D187-R280 IonicContact OD2-NH1 3.4Å; D187-R280 PolarHBondContact OD2-NH1 3.17Å; D187-R280 IonicContact OD2-NH2 3.28Å; D187-R280 PolarHBondContact OD2-NH2 3.49Å |
| 188 | S | 98.6 | Very high | 98.2 | Very high | 50 Ų | 50 | 47 Ų | 47 | 35% | 0.35 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.2 | -54.4 | 171.8 | -63.5 | 0 | 0 | 0 | 0 | 110.5 | A184 F185 R190 R191 D192 | A184-S188 PolarHBondContact O-N 3.09Å; A184-S188 VanDerWaalsContact O-N 3.12Å; A184-S188 PolarHBondContact O-OG 3.33Å; F185-S188 PolarHBondContact O-N 2.77Å; S188-R190 VanDerWaalsContact C-N 3.26Å; S188-R190 PolarHBondContact O-N 3.17Å; S188-R191 PolarHBondContact O-N 3.45Å; S188-D192 VanDerWaalsContact O-CG 3.31Å; S188-D192 PolarHBondContact O-N 3.01Å |
| 189 | L | 98.7 | Very high | 98.2 | Very high | 10 Ų | 10 | 53.8 Ų | 53.8 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -51.1 | -47.5 | 178.1 | -177.7 | 72.6 | 0 | 0 | 0 | 111.2 | T144 V158 F185 R191 D192 V193 V200 | T144-L189 HydrophobicContact CG2-CD1 4.24Å; T144-L189 HydrophobicContact CG2-CD2 3.7Å; V158-L189 HydrophobicContact CB-CD2 4.42Å; V158-L189 HydrophobicContact CG1-CD2 4.13Å; F185-L189 HydrophobicContact CE1-CD2 4.1Å; F185-L189 HydrophobicContact CE2-CB 4.4Å; F185-L189 HydrophobicContact CZ-CB 4.37Å; F185-L189 HydrophobicContact CZ-CD1 4.28Å; F185-L189 HydrophobicContact CZ-CD2 4.04Å; F185-L189 HydrophobicContact CZ-CG 4.47Å; F185-L189 VanDerWaalsContact O-CB 3.28Å; F185-L189 WeakPolarHBondContact O-CB 3.22Å; F185-L189 PolarHBondContact O-N 3.14Å; L189-R191 PolarHBondContact O-N 2.86Å; L189-R191 VanDerWaalsContact O-N 3.16Å; L189-D192 PolarHBondContact O-N 3.03Å; L189-D192 VanDerWaalsContact O-N 3.11Å; L189-V193 HydrophobicContact CD1-CG1 3.67Å; L189-V193 HydrophobicContact CG-CG1 4.28Å; L189-V193 HydrophobicContact CG-CG2 4.41Å; L189-V193 VanDerWaalsContact O-CG2 3.31Å; L189-V193 WeakPolarHBondContact O-CG2 3.47Å; L189-V193 PolarHBondContact O-N 3.34Å; L189-V200 HydrophobicContact CD2-CG1 4.16Å; L189-V200 HydrophobicContact CD2-CG2 3.95Å; L189-V200 HydrophobicContact CG-CG2 4.02Å |
| 190 | R | 98.4 | Very high | 98.3 | Very high | 82 Ų | 82 | 53.7 Ų | 53.7 | 31% | 0.309 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -53.1 | -37.7 | 179.5 | -174.8 | 174.6 | 53.5 | 71.5 | 1.9 | 113.4 | S186 D187 S188 A194 V200 | S186-R190 VanDerWaalsContact O-CB 3.28Å; S186-R190 WeakPolarHBondContact O-CB 3.34Å; S186-R190 PolarHBondContact O-N 2.82Å; D187-R190 IonicContact OD1-CZ 3.76Å; D187-R190 IonicContact OD1-NE 3.58Å; D187-R190 PolarHBondContact OD1-NE 2.87Å; D187-R190 IonicContact OD1-NH2 2.57Å; D187-R190 PolarHBondContact OD1-NH2 3.36Å; S188-R190 VanDerWaalsContact C-N 3.26Å; S188-R190 PolarHBondContact O-N 3.17Å; R190-A194 WeakPolarHBondContact O-CB 3.38Å; R190-V200 HydrophobicContact CB-CB 3.8Å; R190-V200 HydrophobicContact CB-CG1 4.37Å; R190-V200 HydrophobicContact CB-CG2 4.24Å; R190-V200 HydrophobicContact CG-CB 4.12Å |
| 191 | R | 98.4 | Very high | 98.3 | Very high | 154 Ų | 154 | 49.9 Ų | 49.9 | 58% | 0.581 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -79.4 | -43.1 | 179.2 | -70.8 | 176.5 | -78.6 | 176 | 1.5 | 110.5 | D187 S188 L189 V193 A194 | D187-R191 PolarHBondContact O-NE 3.29Å; S188-R191 PolarHBondContact O-N 3.45Å; L189-R191 PolarHBondContact O-N 2.86Å; L189-R191 VanDerWaalsContact O-N 3.16Å; R191-V193 VanDerWaalsContact C-N 3.34Å; R191-V193 PolarHBondContact O-N 3Å; R191-A194 PolarHBondContact O-N 2.86Å |
| 192 | D | 98.4 | Very high | 98.3 | Very high | 104 Ų | 104 | 48.7 Ų | 48.7 | 56% | 0.556 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -64.8 | -37.1 | -176.9 | -61.9 | -18.6 | 0 | 0 | 0 | 112.1 | S188 L189 H195 | S188-D192 VanDerWaalsContact O-CG 3.31Å; S188-D192 PolarHBondContact O-N 3.01Å; L189-D192 PolarHBondContact O-N 3.03Å; L189-D192 VanDerWaalsContact O-N 3.11Å; D192-H195 PolarHBondContact O-CE1 3.34Å; D192-H195 PolarHBondContact O-ND1 2.93Å; D192-H195 VanDerWaalsContact O-ND1 3.11Å |
| 193 | V | 98.3 | Very high | 98.3 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -1.2 | -176.1 | -51.7 | 0 | 0 | 0 | 0 | 114.8 | L148 L189 R191 H195 F196 I198 V200 | L148-V193 HydrophobicContact CD1-CG1 3.94Å; L189-V193 HydrophobicContact CD1-CG1 3.67Å; L189-V193 HydrophobicContact CG-CG1 4.28Å; L189-V193 HydrophobicContact CG-CG2 4.41Å; L189-V193 VanDerWaalsContact O-CG2 3.31Å; L189-V193 WeakPolarHBondContact O-CG2 3.47Å; L189-V193 PolarHBondContact O-N 3.34Å; R191-V193 VanDerWaalsContact C-N 3.34Å; R191-V193 PolarHBondContact O-N 3Å; V193-H195 VanDerWaalsContact C-N 3.26Å; V193-H195 PolarHBondContact O-N 2.82Å; V193-F196 HydrophobicContact CB-CD2 4.27Å; V193-F196 PolarHBondContact O-N 3.47Å; V193-I198 HydrophobicContact CB-CB 4.09Å; V193-I198 HydrophobicContact CB-CD1 4.14Å; V193-I198 HydrophobicContact CB-CG2 4.46Å; V193-I198 HydrophobicContact CG2-CB 3.61Å; V193-I198 HydrophobicContact CG2-CD1 4.42Å; V193-I198 HydrophobicContact CG2-CG2 3.62Å; V193-V200 HydrophobicContact CG2-CG2 3.81Å |
| 194 | A | 97.6 | Very high | 98.3 | Very high | 57 Ų | 57 | 48.1 Ų | 48.1 | 47% | 0.471 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -58.8 | -36.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R190 R191 F196 G197 | R190-A194 WeakPolarHBondContact O-CB 3.38Å; R191-A194 PolarHBondContact O-N 2.86Å; A194-F196 PolarHBondContact O-N 3.27Å; A194-G197 PolarHBondContact O-N 3.49Å |
| 195 | H | 97.3 | Very high | 98.2 | Very high | 144 Ų | 144 | 45.6 Ų | 45.6 | 67% | 0.667 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -72.5 | -16.7 | -178.6 | 61 | -91.1 | 0 | 0 | 0 | 113.3 | D192 V193 G197 | D192-H195 PolarHBondContact O-CE1 3.34Å; D192-H195 PolarHBondContact O-ND1 2.93Å; D192-H195 VanDerWaalsContact O-ND1 3.11Å; V193-H195 VanDerWaalsContact C-N 3.26Å; V193-H195 PolarHBondContact O-N 2.82Å; H195-G197 VanDerWaalsContact C-N 3.26Å |
| 196 | F | 97.6 | Very high | 98 | Very high | 84 Ų | 84 | 44.3 Ų | 44.3 | 37% | 0.368 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -84.9 | 1.7 | 169.6 | -55.2 | -65.2 | 0 | 0 | 0 | 113 | Q152 V193 A194 I198 | Q152-F196 HydrophobicContact CG-CB 4.06Å; Q152-F196 HydrophobicContact CG-CD1 4.43Å; Q152-F196 HydrophobicContact CG-CD2 4.3Å; Q152-F196 HydrophobicContact CG-CG 4.02Å; Q152-F196 VanDerWaalsContact NE2-CE2 3.27Å; V193-F196 HydrophobicContact CB-CD2 4.27Å; V193-F196 PolarHBondContact O-N 3.47Å; A194-F196 PolarHBondContact O-N 3.27Å; F196-I198 HydrophobicContact CB-CD1 4.3Å; F196-I198 HydrophobicContact CB-CG1 4.32Å; F196-I198 PolarHBondContact O-N 3.5Å |
| 197 | G | 97 | Very high | 97.8 | Very high | 31 Ų | 31 | 45.4 Ų | 45.4 | 32% | 0.32 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 3.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A194 H195 | A194-G197 PolarHBondContact O-N 3.49Å; H195-G197 VanDerWaalsContact C-N 3.26Å |
| 198 | I | 98.4 | Very high | 97.6 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | trans | -72 | 135.7 | 177.3 | -62.3 | 169.7 | 0 | 0 | 0 | 109.7 | L148 L151 Q152 G156 V158 V193 F196 V200 | L148-I198 HydrophobicContact CD1-CD1 3.79Å; L151-I198 HydrophobicContact CB-CD1 3.93Å; L151-I198 HydrophobicContact CB-CG1 4.5Å; Q152-I198 HydrophobicContact CB-CD1 4.33Å; Q152-I198 HydrophobicContact CG-CD1 3.61Å; G156-I198 WeakPolarHBondContact O-CA 3.42Å; V158-I198 HydrophobicContact CG2-CG2 4.23Å; V193-I198 HydrophobicContact CB-CB 4.09Å; V193-I198 HydrophobicContact CB-CD1 4.14Å; V193-I198 HydrophobicContact CB-CG2 4.46Å; V193-I198 HydrophobicContact CG2-CB 3.61Å; V193-I198 HydrophobicContact CG2-CD1 4.42Å; V193-I198 HydrophobicContact CG2-CG2 3.62Å; F196-I198 HydrophobicContact CB-CD1 4.3Å; F196-I198 HydrophobicContact CB-CG1 4.32Å; F196-I198 PolarHBondContact O-N 3.5Å; I198-V200 HydrophobicContact CG2-CG2 4.45Å | ||
| 199 | R | 98.3 | Very high | 97.1 | Very high | 142 Ų | 142 | 48.5 Ų | 48.5 | 54% | 0.536 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 133.5 | 174.5 | -59 | -61.5 | -173 | 176.4 | -2.4 | 110.4 | G156 R157 V158 P277 | G156-R199 PolarHBondContact O-N 3.39Å; G156-R199 VanDerWaalsContact O-N 3.1Å; R157-R199 CarbonylContact C-O 3.54Å; R157-R199 VanDerWaalsContact CA-O 3.25Å; R157-R199 WeakPolarHBondContact CA-O 3.38Å; R157-R199 HydrophobicContact CG-CB 4.38Å; V158-R199 PolarHBondContact N-O 3.13Å; R199-P277 HydrophobicContact CB-CG 3.95Å; R199-P277 HydrophobicContact CG-CG 4.03Å |
| 200 | V | 98.8 | Very high | 96.6 | Very high | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 128 | 176.8 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | V158 L189 R190 V193 I198 | V158-V200 HydrophobicContact CB-CG1 4.43Å; V158-V200 HydrophobicContact CB-CG2 4.26Å; V158-V200 CarbonylContact O-C 3.53Å; V158-V200 VanDerWaalsContact O-CA 3.28Å; V158-V200 WeakPolarHBondContact O-CA 3.31Å; L189-V200 HydrophobicContact CD2-CG1 4.16Å; L189-V200 HydrophobicContact CD2-CG2 3.95Å; L189-V200 HydrophobicContact CG-CG2 4.02Å; R190-V200 HydrophobicContact CB-CB 3.8Å; R190-V200 HydrophobicContact CB-CG1 4.37Å; R190-V200 HydrophobicContact CB-CG2 4.24Å; R190-V200 HydrophobicContact CG-CB 4.12Å; V193-V200 HydrophobicContact CG2-CG2 3.81Å; I198-V200 HydrophobicContact CG2-CG2 4.45Å |
| 201 | S | 98.8 | Very high | 96 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 148.4 | 177 | -52.4 | 0 | 0 | 0 | 0 | 110.8 | V158 I159 N160 R278 | V158-S201 PolarHBondContact O-N 3.45Å; I159-S201 WeakPolarHBondContact CA-O 3.29Å; N160-S201 PolarHBondContact N-O 2.95Å; S201-R278 PolarHBondContact OG-O 3.34Å; S201-R278 VanDerWaalsContact OG-O 3.07Å |
| 202 | I | 98.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.5 | 174.7 | -55.4 | 178 | 0 | 0 | 0 | 107.7 | T162 E183 S186 E204 T279 R280 Y281 | T162-I202 HydrophobicContact CG2-CG2 3.67Å; T162-I202 VanDerWaalsContact OG1-CG2 3.28Å; T162-I202 WeakPolarHBondContact OG1-CG2 3.5Å; E183-I202 WeakPolarHBondContact OE1-CG2 3.32Å; E183-I202 VanDerWaalsContact OE2-CD1 3.29Å; E183-I202 WeakPolarHBondContact OE2-CD1 3.36Å; S186-I202 VanDerWaalsContact CB-CD1 3.48Å; I202-E204 HydrophobicContact CG2-CG 3.85Å; I202-T279 PolarHBondContact N-O 3.23Å; I202-R280 HydrophobicContact CB-CG 4.23Å; I202-R280 CarbonylContact O-C 3.57Å; I202-R280 WeakPolarHBondContact O-CA 3.5Å; I202-Y281 PolarHBondContact O-N 3.4Å |
| 203 | V | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.8 | 168.9 | -175.8 | 0 | 0 | 0 | 0 | 107.7 | I159 N160 I161 T162 P205 V264 C267 L268 Y281 P283 | I159-V203 HydrophobicContact CG2-CG2 3.74Å; N160-V203 PolarHBondContact O-N 3.49Å; I161-V203 CarbonylContact C-O 3.51Å; T162-V203 PolarHBondContact N-O 3.36Å; T162-V203 PolarHBondContact OG1-O 3Å; V203-P205 VanDerWaalsContact C-CD 3.45Å; V203-P205 HydrophobicContact CG1-CG 4.22Å; V203-P205 WeakPolarHBondContact O-CD 3.44Å; V203-V264 HydrophobicContact CG1-CG1 4.37Å; V203-C267 HydrophobicContact CG1-CB 4.41Å; V203-L268 HydrophobicContact CB-CD2 4.22Å; V203-L268 HydrophobicContact CG1-CD2 4.48Å; V203-L268 HydrophobicContact CG2-CD2 3.71Å; V203-L268 HydrophobicContact CG2-CG 4.49Å; V203-Y281 CarbonylContact C-O 3.52Å; V203-Y281 WeakPolarHBondContact CA-O 3.43Å; V203-Y281 HydrophobicContact CG2-CD2 4.25Å; V203-Y281 HydrophobicContact CG2-CG 4.47Å; V203-P283 HydrophobicContact CG1-CG 3.83Å |
| 204 | E | 97.8 | Very high | 94 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | trans | -112.4 | 75 | -175.3 | -62.8 | 163.3 | 164.3 | 0 | 0 | 109.5 | T162 R167 E183 I202 R280 Y281 S282 | T162-E204 WeakPolarHBondContact OG1-CG 3.4Å; R167-E204 WeakPolarHBondContact CD-OE1 3.2Å; R167-E204 IonicContact NH1-OE1 3.92Å; E183-E204 WeakPolarHBondContact OE1-CG 3.47Å; I202-E204 HydrophobicContact CG2-CG 3.85Å; E204-R280 WeakPolarHBondContact OE1-CD 3.26Å; E204-R280 IonicContact OE1-NE 3.07Å; E204-R280 PolarHBondContact OE1-NE 2.96Å; E204-Y281 PolarHBondContact N-O 2.83Å; E204-S282 WeakPolarHBondContact O-CA 3.43Å; E204-S282 PolarHBondContact OE2-OG 3.2Å | ||
| 205 | P | 97.3 | Very high | 93.5 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 4% | 0.039 | 21% | 0.213 | C | C | . | . | trans | -62.6 | 143.6 | 178.4 | -19.7 | 31.6 | 0 | 0 | 0 | 111.9 | F40 I161 V164 V203 F208 V264 P283 | F40-P205 HydrophobicContact CE2-CG 4.38Å; I161-P205 HydrophobicContact CG2-CG 3.98Å; V164-P205 PolarHBondContact N-O 3.13Å; V203-P205 VanDerWaalsContact C-CD 3.45Å; V203-P205 HydrophobicContact CG1-CG 4.22Å; V203-P205 WeakPolarHBondContact O-CD 3.44Å; P205-F208 HydrophobicContact CB-CD2 3.87Å; P205-F208 HydrophobicContact CB-CE2 3.87Å; P205-V264 HydrophobicContact CB-CG2 4.19Å; P205-V264 HydrophobicContact CG-CG1 4.08Å; P205-V264 HydrophobicContact CG-CG2 4.37Å; P205-P283 HydrophobicContact CB-CG 4.2Å; P205-P283 HydrophobicContact CG-CG 4.25Å | ||
| 206 | G | 95 | Very high | 93 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 9% | 0.093 | 22% | 0.215 | C | C | . | . | trans | -66.1 | -154.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F208 P283 D286 | G206-F208 WeakPolarHBondContact O-CD2 3.34Å; G206-P283 PolarHBondContact N-O 3.44Å; G206-D286 VanDerWaalsContact CA-OD2 3.25Å; G206-D286 WeakPolarHBondContact CA-OD2 3.49Å | ||
| 207 | F | 93.2 | Very high | 92.6 | Very high | 23 Ų | 23 | 41.8 Ų | 41.8 | 10% | 0.101 | 22% | 0.218 | C | C | . | . | trans | -86.5 | 124.7 | 179.3 | -73.1 | -101.7 | 0 | 0 | 0 | 110.9 | V164 L165 M253 I256 C257 D258 D286 W291 | V164-F207 HydrophobicContact CG2-CE2 4.31Å; L165-F207 HydrophobicContact CD1-CZ 4.1Å; L165-F207 HydrophobicContact CG-CZ 4.45Å; F207-M253 HydrophobicContact CD1-CE 4.1Å; F207-M253 HydrophobicContact CD1-SD 3.59Å; F207-M253 VanDerWaalsContact CD1-SD 3.59Å; F207-M253 HydrophobicContact CE1-SD 3.71Å; F207-I256 HydrophobicContact CB-CB 4.36Å; F207-I256 HydrophobicContact CB-CD1 3.95Å; F207-I256 HydrophobicContact CB-CG1 3.65Å; F207-I256 HydrophobicContact CD1-CD1 3.7Å; F207-I256 HydrophobicContact CD1-CG1 4.12Å; F207-I256 HydrophobicContact CD2-CD1 3.4Å; F207-I256 VanDerWaalsContact CD2-CD1 3.4Å; F207-I256 HydrophobicContact CD2-CG1 4.09Å; F207-I256 HydrophobicContact CE1-CD1 3.98Å; F207-I256 HydrophobicContact CE2-CD1 3.72Å; F207-I256 HydrophobicContact CG-CD1 3.39Å; F207-I256 HydrophobicContact CG-CG1 3.69Å; F207-I256 HydrophobicContact CZ-CD1 3.98Å; F207-C257 WeakPolarHBondContact O-CA 3.42Å; F207-D258 PolarHBondContact O-N 2.96Å; F207-D286 WeakPolarHBondContact CD2-OD2 3.35Å; F207-D286 PolarHBondContact N-OD2 3.02Å; F207-W291 HydrophobicContact CD2-CZ2 4.32Å; F207-W291 AromaticContact CD2-NE1 3.59Å; F207-W291 AromaticContact CE2-CE2 3.57Å; F207-W291 HydrophobicContact CE2-CH2 4.49Å; F207-W291 AromaticContact CE2-CZ2 3.52Å; F207-W291 HydrophobicContact CE2-CZ2 3.52Å; F207-W291 AromaticContact CE2-NE1 3.48Å; F207-W291 HydrophobicContact CZ-CZ2 4.16Å | ||
| 208 | F | 94.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.013 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -134.6 | 147.6 | -179 | -74.7 | -90.1 | 0 | 0 | 0 | 110.6 | F40 P205 G206 T210 T213 D258 D260 L261 K263 V264 P283 | F40-F208 HydrophobicContact CE1-CB 4.13Å; F40-F208 HydrophobicContact CE1-CG 4.22Å; F40-F208 HydrophobicContact CZ-CB 3.66Å; F40-F208 HydrophobicContact CZ-CD2 4.05Å; F40-F208 AromaticContact CZ-CG 3.88Å; F40-F208 HydrophobicContact CZ-CG 3.88Å; P205-F208 HydrophobicContact CB-CD2 3.87Å; P205-F208 HydrophobicContact CB-CE2 3.87Å; G206-F208 WeakPolarHBondContact O-CD2 3.34Å; F208-T210 HydrophobicContact CB-CG2 4.38Å; F208-T210 PolarHBondContact O-N 3.31Å; F208-T213 WeakPolarHBondContact O-CG2 3.32Å; F208-T213 PolarHBondContact O-OG1 3.12Å; F208-D258 VanDerWaalsContact CA-O 3.3Å; F208-D258 WeakPolarHBondContact CA-O 3.09Å; F208-D258 HydrophobicContact CD1-CB 3.77Å; F208-D258 HydrophobicContact CE1-CB 3.8Å; F208-D258 HydrophobicContact CG-CB 4.46Å; F208-D260 VanDerWaalsContact CE1-O 3.29Å; F208-D260 WeakPolarHBondContact CE1-O 3.41Å; F208-L261 HydrophobicContact CB-CD2 3.82Å; F208-L261 HydrophobicContact CD1-CD2 4.1Å; F208-L261 HydrophobicContact CG-CD2 4.36Å; F208-K263 HydrophobicContact CE1-CB 4.09Å; F208-K263 HydrophobicContact CE1-CD 4.24Å; F208-K263 HydrophobicContact CZ-CB 4.17Å; F208-V264 HydrophobicContact CD1-CG2 4.16Å; F208-V264 HydrophobicContact CD2-CG2 3.84Å; F208-V264 HydrophobicContact CE1-CG2 3.89Å; F208-V264 HydrophobicContact CE2-CG2 3.55Å; F208-V264 HydrophobicContact CG-CG2 4.14Å; F208-V264 HydrophobicContact CZ-CG2 3.58Å; F208-P283 WeakPolarHBondContact CE2-O 3.43Å; F208-P283 HydrophobicContact CZ-CB 4.27Å |
| 209 | R | 89.2 | Confident | 91.9 | Very high | 147 Ų | 147 | 43 Ų | 43 | 56% | 0.555 | 22% | 0.216 | S | C | * | . | trans | -72.4 | 91.4 | 179.2 | -62.1 | -175 | -172.4 | -177.6 | -4.9 | 111.5 | C257 D258 | R209-C257 HydrophobicContact CG-CB 3.78Å; R209-C257 PolarHBondContact NE-O 2.84Å; R209-D258 PolarHBondContact N-O 2.68Å | ||
| 210 | T | 87.8 | Confident | 91.6 | Very high | 20 Ų | 20 | 43.5 Ų | 43.5 | 12% | 0.123 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -127.4 | 168.8 | 175.3 | 64.4 | 0 | 0 | 0 | 0 | 110.5 | F40 F208 V212 T213 N214 L261 | F40-T210 HydrophobicContact CD1-CG2 4.4Å; F40-T210 HydrophobicContact CD2-CG2 4.42Å; F40-T210 HydrophobicContact CE1-CG2 3.95Å; F40-T210 HydrophobicContact CE2-CG2 3.96Å; F40-T210 HydrophobicContact CZ-CG2 3.71Å; F208-T210 HydrophobicContact CB-CG2 4.38Å; F208-T210 PolarHBondContact O-N 3.31Å; T210-V212 PolarHBondContact O-N 3.26Å; T210-T213 PolarHBondContact N-OG1 2.96Å; T210-T213 CarbonylContact O-C 3.5Å; T210-T213 PolarHBondContact O-N 3.26Å; T210-T213 PolarHBondContact O-OG1 3.45Å; T210-T213 PolarHBondContact OG1-OG1 3.31Å; T210-N214 PolarHBondContact O-N 3.33Å; T210-L261 HydrophobicContact CG2-CD1 4.39Å; T210-L261 HydrophobicContact CG2-CD2 3.89Å |
| 211 | P | 85.3 | Confident | 91.3 | Very high | 75 Ų | 75 | 45.5 Ų | 45.5 | 49% | 0.487 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -57.2 | -30.2 | 173.8 | -30.7 | 40.8 | 0 | 0 | 0 | 114 | S38 T213 N214 | S38-P211 WeakPolarHBondContact OG-CG 3.46Å; P211-T213 PolarHBondContact O-N 3.35Å; P211-N214 WeakPolarHBondContact O-CB 3.43Å; P211-N214 PolarHBondContact O-N 3.06Å; P211-N214 VanDerWaalsContact O-N 3.15Å |
| 212 | V | 80.2 | Confident | 91 | Very high | 53 Ų | 53 | 45.4 Ų | 45.4 | 32% | 0.321 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -62.5 | -31.3 | 175.6 | 176.5 | 0 | 0 | 0 | 0 | 112 | A115 T210 | A115-V212 HydrophobicContact CB-CG1 3.82Å; A115-V212 WeakPolarHBondContact CB-O 3.43Å; T210-V212 PolarHBondContact O-N 3.26Å |
| 213 | T | 83.6 | Confident | 90.8 | Very high | 26 Ų | 26 | 49.9 Ų | 49.9 | 16% | 0.16 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -99.5 | 10.7 | 179.2 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | F208 T210 P211 L215 M253 | F208-T213 WeakPolarHBondContact O-CG2 3.32Å; F208-T213 PolarHBondContact O-OG1 3.12Å; T210-T213 PolarHBondContact N-OG1 2.96Å; T210-T213 CarbonylContact O-C 3.5Å; T210-T213 PolarHBondContact O-N 3.26Å; T210-T213 PolarHBondContact O-OG1 3.45Å; T210-T213 PolarHBondContact OG1-OG1 3.31Å; P211-T213 PolarHBondContact O-N 3.35Å; T213-L215 PolarHBondContact O-N 2.85Å; T213-L215 VanDerWaalsContact O-N 3.16Å; T213-M253 VanDerWaalsContact CB-CE 3.45Å; T213-M253 HydrophobicContact CG2-CE 3.73Å |
| 214 | N | 89.4 | Confident | 90.6 | Very high | 72 Ų | 72 | 52.8 Ų | 52.8 | 39% | 0.385 | 28% | 0.278 | S | S | . | . | trans | -62.7 | 118.8 | -177.7 | 178.9 | -73.1 | 0 | 0 | 0 | 110.1 | T210 P211 E216 S217 L218 | T210-N214 PolarHBondContact O-N 3.33Å; P211-N214 WeakPolarHBondContact O-CB 3.43Å; P211-N214 PolarHBondContact O-N 3.06Å; P211-N214 VanDerWaalsContact O-N 3.15Å; N214-E216 PolarHBondContact O-N 2.87Å; N214-E216 WeakPolarHBondContact OD1-CB 3.39Å; N214-E216 PolarHBondContact OD1-N 3.5Å; N214-E216 VanDerWaalsContact OD1-N 3.12Å; N214-S217 PolarHBondContact O-N 3.42Å; N214-S217 PolarHBondContact OD1-N 3.05Å; N214-L218 WeakPolarHBondContact O-CG 3.31Å; N214-L218 PolarHBondContact O-N 3.01Å | ||
| 215 | L | 86.3 | Confident | 90.4 | Very high | 38 Ų | 38 | 52.8 Ų | 52.8 | 20% | 0.199 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.8 | -46.6 | -174.1 | -76.7 | 169.1 | 0 | 0 | 0 | 112.4 | T213 S217 L218 E219 Q250 M253 N254 | T213-L215 PolarHBondContact O-N 2.85Å; T213-L215 VanDerWaalsContact O-N 3.16Å; L215-S217 VanDerWaalsContact C-N 3.32Å; L215-S217 PolarHBondContact O-N 3.21Å; L215-L218 PolarHBondContact O-N 3.39Å; L215-L218 VanDerWaalsContact O-N 3.16Å; L215-E219 WeakPolarHBondContact O-CB 3.3Å; L215-E219 VanDerWaalsContact O-CG 3.26Å; L215-E219 WeakPolarHBondContact O-CG 3.48Å; L215-E219 PolarHBondContact O-N 2.69Å; L215-Q250 HydrophobicContact CD1-CG 3.93Å; L215-Q250 HydrophobicContact CD2-CB 4.48Å; L215-Q250 HydrophobicContact CD2-CG 4.32Å; L215-M253 HydrophobicContact CD2-CB 3.75Å; L215-M253 HydrophobicContact CD2-CG 3.93Å; L215-M253 HydrophobicContact CG-CB 4.47Å; L215-N254 WeakPolarHBondContact CD1-OD1 3.2Å |
| 216 | E | 87.5 | Confident | 90.3 | Very high | 151 Ų | 151 | 54 Ų | 54 | 71% | 0.706 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.5 | -44.1 | -179.6 | -173.8 | -176.3 | 174.3 | 0 | 0 | 111.6 | N214 E219 K220 | N214-E216 PolarHBondContact O-N 2.87Å; N214-E216 WeakPolarHBondContact OD1-CB 3.39Å; N214-E216 PolarHBondContact OD1-N 3.5Å; N214-E216 VanDerWaalsContact OD1-N 3.12Å; E216-E219 PolarHBondContact O-N 3.08Å; E216-K220 WeakPolarHBondContact O-CB 3.37Å; E216-K220 PolarHBondContact O-N 2.93Å |
| 217 | S | 88.5 | Confident | 90.2 | Very high | 64 Ų | 64 | 57.1 Ų | 57.1 | 45% | 0.448 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 176.5 | -173.5 | 0 | 0 | 0 | 0 | 111.9 | N214 L215 T221 | N214-S217 PolarHBondContact O-N 3.42Å; N214-S217 PolarHBondContact OD1-N 3.05Å; L215-S217 VanDerWaalsContact C-N 3.32Å; L215-S217 PolarHBondContact O-N 3.21Å; S217-T221 WeakPolarHBondContact O-CB 3.37Å; S217-T221 PolarHBondContact O-N 3.15Å; S217-T221 PolarHBondContact O-OG1 3.46Å; S217-T221 VanDerWaalsContact O-OG1 3.04Å |
| 218 | L | 89.1 | Confident | 90.3 | Very high | 13 Ų | 13 | 61.1 Ų | 61.1 | 7% | 0.068 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 179.1 | -69.8 | 174.6 | 0 | 0 | 0 | 111.5 | A115 I118 N214 L215 T221 L222 M253 | A115-L218 HydrophobicContact CB-CD2 3.9Å; I118-L218 HydrophobicContact CD1-CD1 4.47Å; I118-L218 HydrophobicContact CD1-CD2 3.89Å; I118-L218 HydrophobicContact CG1-CD2 4.32Å; N214-L218 WeakPolarHBondContact O-CG 3.31Å; N214-L218 PolarHBondContact O-N 3.01Å; L215-L218 PolarHBondContact O-N 3.39Å; L215-L218 VanDerWaalsContact O-N 3.16Å; L218-T221 PolarHBondContact O-N 2.93Å; L218-L222 WeakPolarHBondContact O-CB 3.41Å; L218-L222 PolarHBondContact O-N 2.81Å; L218-M253 HydrophobicContact CD1-CE 4.43Å |
| 219 | E | 91.9 | Very high | 90.3 | Very high | 48 Ų | 48 | 61.6 Ų | 61.6 | 22% | 0.224 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 177.4 | -70 | -174.6 | -171.8 | 0 | 0 | 111.1 | L215 E216 T221 L222 Q223 L246 | L215-E219 WeakPolarHBondContact O-CB 3.3Å; L215-E219 VanDerWaalsContact O-CG 3.26Å; L215-E219 WeakPolarHBondContact O-CG 3.48Å; L215-E219 PolarHBondContact O-N 2.69Å; E216-E219 PolarHBondContact O-N 3.08Å; E219-T221 VanDerWaalsContact C-N 3.35Å; E219-T221 PolarHBondContact O-N 2.98Å; E219-L222 PolarHBondContact O-N 2.91Å; E219-Q223 WeakPolarHBondContact O-CB 3.1Å; E219-Q223 VanDerWaalsContact O-CG 3.3Å; E219-Q223 WeakPolarHBondContact O-CG 3.41Å; E219-Q223 PolarHBondContact O-N 2.79Å; E219-L246 HydrophobicContact CB-CD2 3.89Å; E219-L246 HydrophobicContact CG-CD2 3.75Å |
| 220 | K | 92.9 | Very high | 90.6 | Very high | 152 Ų | 152 | 58 Ų | 58 | 66% | 0.661 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.8 | -44.6 | 177.4 | -175.5 | 177.8 | -178.4 | 177.4 | 0 | 111.9 | E216 Q223 A224 | E216-K220 WeakPolarHBondContact O-CB 3.37Å; E216-K220 PolarHBondContact O-N 2.93Å; K220-Q223 PolarHBondContact O-N 3.41Å; K220-A224 WeakPolarHBondContact O-CB 3.38Å; K220-A224 PolarHBondContact O-N 3.45Å |
| 221 | T | 92.1 | Very high | 90.8 | Very high | 48 Ų | 48 | 62.3 Ų | 62.3 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 177.6 | -67 | 0 | 0 | 0 | 0 | 111.7 | I117 S217 L218 E219 C225 | I117-T221 HydrophobicContact CB-CG2 4.13Å; I117-T221 HydrophobicContact CG1-CG2 3.59Å; I117-T221 HydrophobicContact CG2-CG2 4.38Å; S217-T221 WeakPolarHBondContact O-CB 3.37Å; S217-T221 PolarHBondContact O-N 3.15Å; S217-T221 PolarHBondContact O-OG1 3.46Å; S217-T221 VanDerWaalsContact O-OG1 3.04Å; L218-T221 PolarHBondContact O-N 2.93Å; E219-T221 VanDerWaalsContact C-N 3.35Å; E219-T221 PolarHBondContact O-N 2.98Å; T221-C225 WeakPolarHBondContact O-CB 3.19Å; T221-C225 PolarHBondContact O-N 3.36Å |
| 222 | L | 92.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.6 | -37.9 | 177.4 | -172.9 | 60.9 | 0 | 0 | 0 | 112.4 | W123 L218 E219 C225 W226 L242 Y245 L246 | W123-L222 HydrophobicContact CE3-CD1 3.87Å; W123-L222 HydrophobicContact CZ3-CD1 3.71Å; W123-L222 HydrophobicContact CZ3-CG 4.28Å; L218-L222 WeakPolarHBondContact O-CB 3.41Å; L218-L222 PolarHBondContact O-N 2.81Å; E219-L222 PolarHBondContact O-N 2.91Å; L222-C225 WeakPolarHBondContact O-CB 3.27Å; L222-C225 PolarHBondContact O-N 2.9Å; L222-W226 PolarHBondContact O-N 3.46Å; L222-L242 HydrophobicContact CD2-CD1 4.14Å; L222-L242 HydrophobicContact CG-CD1 3.95Å; L222-Y245 HydrophobicContact CD2-CD1 3.4Å; L222-Y245 HydrophobicContact CD2-CE1 3.65Å; L222-Y245 HydrophobicContact CD2-CG 4.45Å; L222-L246 HydrophobicContact CB-CD2 4.22Å; L222-L246 HydrophobicContact CD2-CD2 3.76Å; L222-L246 HydrophobicContact CD2-CG 4.37Å; L222-L246 HydrophobicContact CG-CD2 4.37Å |
| 223 | Q | 94.1 | Very high | 91.7 | Very high | 97 Ų | 97 | 62 Ų | 62 | 45% | 0.453 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 173.6 | -75.1 | 173.7 | -11 | 0 | 0 | 111.8 | E219 K220 C225 W226 A227 L242 L246 | E219-Q223 WeakPolarHBondContact O-CB 3.1Å; E219-Q223 VanDerWaalsContact O-CG 3.3Å; E219-Q223 WeakPolarHBondContact O-CG 3.41Å; E219-Q223 PolarHBondContact O-N 2.79Å; K220-Q223 PolarHBondContact O-N 3.41Å; Q223-C225 VanDerWaalsContact C-N 3.28Å; Q223-C225 PolarHBondContact O-N 3.04Å; Q223-W226 WeakPolarHBondContact O-CB 3.44Å; Q223-W226 PolarHBondContact O-N 2.81Å; Q223-A227 WeakPolarHBondContact O-CB 3.33Å; Q223-A227 PolarHBondContact O-N 3.4Å; Q223-L242 HydrophobicContact CG-CD2 4.38Å; Q223-L246 HydrophobicContact CG-CD1 4.23Å |
| 224 | A | 94 | Very high | 92.1 | Very high | 61 Ų | 61 | 63.3 Ų | 63.3 | 50% | 0.504 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K220 W226 A227 R228 | K220-A224 WeakPolarHBondContact O-CB 3.38Å; K220-A224 PolarHBondContact O-N 3.45Å; A224-W226 VanDerWaalsContact C-N 3.34Å; A224-W226 PolarHBondContact O-N 3.21Å; A224-A227 PolarHBondContact O-N 3.49Å; A224-R228 PolarHBondContact O-N 3.31Å |
| 225 | C | 94.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.014 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 174.3 | -174.6 | 0 | 0 | 0 | 0 | 112.3 | I117 W123 T221 L222 Q223 R228 L229 | I117-C225 HydrophobicContact CD1-CB 4.27Å; I117-C225 HydrophobicContact CG2-CB 3.94Å; W123-C225 PolarHBondContact O-SG 3.26Å; W123-C225 VanDerWaalsContact O-SG 3.41Å; T221-C225 WeakPolarHBondContact O-CB 3.19Å; T221-C225 PolarHBondContact O-N 3.36Å; L222-C225 WeakPolarHBondContact O-CB 3.27Å; L222-C225 PolarHBondContact O-N 2.9Å; Q223-C225 VanDerWaalsContact C-N 3.28Å; Q223-C225 PolarHBondContact O-N 3.04Å; C225-R228 WeakPolarHBondContact O-CG 3.33Å; C225-R228 PolarHBondContact SG-NH2 2.82Å; C225-L229 WeakPolarHBondContact O-CG 3.29Å |
| 226 | W | 94.6 | Very high | 92.4 | Very high | 30 Ų | 30 | 64.5 Ų | 64.5 | 11% | 0.114 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.9 | -45.1 | 175.5 | 175.6 | -92.6 | 0 | 0 | 0 | 112.1 | W123 L222 Q223 A224 R228 L229 Q234 Y237 L242 | W123-W226 HydrophobicContact CE3-CE3 4.43Å; W123-W226 AromaticContact CH2-CE3 3.36Å; W123-W226 HydrophobicContact CH2-CE3 3.36Å; W123-W226 AromaticContact CH2-CZ3 3.67Å; W123-W226 HydrophobicContact CH2-CZ3 3.67Å; W123-W226 AromaticContact CZ2-CE3 3.53Å; W123-W226 HydrophobicContact CZ2-CE3 3.53Å; W123-W226 AromaticContact CZ2-CZ3 3.44Å; W123-W226 HydrophobicContact CZ2-CZ3 3.44Å; W123-W226 VanDerWaalsContact CZ2-CZ3 3.44Å; W123-W226 AromaticContact CZ3-CE3 3.84Å; W123-W226 HydrophobicContact CZ3-CE3 3.84Å; L222-W226 PolarHBondContact O-N 3.46Å; Q223-W226 WeakPolarHBondContact O-CB 3.44Å; Q223-W226 PolarHBondContact O-N 2.81Å; A224-W226 VanDerWaalsContact C-N 3.34Å; A224-W226 PolarHBondContact O-N 3.21Å; W226-R228 PolarHBondContact O-N 2.93Å; W226-L229 HydrophobicContact CD2-CD1 4.36Å; W226-L229 HydrophobicContact CE3-CD1 3.77Å; W226-L229 HydrophobicContact CZ3-CD1 4.31Å; W226-L229 VanDerWaalsContact O-CB 3.32Å; W226-L229 WeakPolarHBondContact O-CB 3.1Å; W226-L229 WeakPolarHBondContact O-CG 3.46Å; W226-L229 PolarHBondContact O-N 2.89Å; W226-Q234 HydrophobicContact CD2-CG 4.39Å; W226-Q234 HydrophobicContact CH2-CB 4.04Å; W226-Q234 HydrophobicContact CH2-CG 4.37Å; W226-Q234 WeakPolarHBondContact CH2-O 3.47Å; W226-Q234 HydrophobicContact CZ2-CB 3.71Å; W226-Q234 HydrophobicContact CZ2-CG 3.94Å; W226-Q234 PolarHBondContact O-NE2 3.45Å; W226-Y237 HydrophobicContact CZ3-CG 4.35Å; W226-L242 HydrophobicContact CB-CD1 4.2Å; W226-L242 HydrophobicContact CB-CD2 3.84Å; W226-L242 HydrophobicContact CD2-CB 4.22Å; W226-L242 HydrophobicContact CD2-CD2 4.15Å; W226-L242 HydrophobicContact CE3-CB 4.33Å; W226-L242 HydrophobicContact CG-CD2 3.64Å; W226-L242 HydrophobicContact CG-CG 4.46Å |
| 227 | A | 94.6 | Very high | 92.6 | Very high | 75 Ų | 75 | 58.6 Ų | 58.6 | 62% | 0.62 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61 | -31.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q223 A224 | Q223-A227 WeakPolarHBondContact O-CB 3.33Å; Q223-A227 PolarHBondContact O-N 3.4Å; A224-A227 PolarHBondContact O-N 3.49Å |
| 228 | R | 94.6 | Very high | 92.7 | Very high | 107 Ų | 107 | 56.3 Ų | 56.3 | 40% | 0.404 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -7.6 | 175.9 | 66.4 | 169.8 | -171.7 | 169.8 | 1.8 | 114.5 | W123 D128 A224 C225 W226 | W123-R228 PolarHBondContact O-NH2 3.14Å; D128-R228 IonicContact OD1-NH1 3.45Å; D128-R228 IonicContact OD2-CZ 3.48Å; D128-R228 IonicContact OD2-NH1 2.93Å; D128-R228 PolarHBondContact OD2-NH1 3.49Å; D128-R228 IonicContact OD2-NH2 2.7Å; D128-R228 PolarHBondContact OD2-NH2 2.93Å; A224-R228 PolarHBondContact O-N 3.31Å; C225-R228 WeakPolarHBondContact O-CG 3.33Å; C225-R228 PolarHBondContact SG-NH2 2.82Å; W226-R228 PolarHBondContact O-N 2.93Å |
| 229 | L | 94.6 | Very high | 92.3 | Very high | 14 Ų | 14 | 58.8 Ų | 58.8 | 7% | 0.073 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -69.9 | 145.6 | -178.1 | -65.6 | 177.1 | 0 | 0 | 0 | 111.1 | W123 C225 W226 T233 Q234 | W123-L229 HydrophobicContact CB-CD1 4.3Å; W123-L229 HydrophobicContact CB-CD2 3.86Å; W123-L229 HydrophobicContact CD2-CD1 3.68Å; W123-L229 HydrophobicContact CE3-CD1 4.24Å; W123-L229 HydrophobicContact CG-CD1 3.68Å; W123-L229 HydrophobicContact CG-CD2 4.05Å; W123-L229 HydrophobicContact CG-CG 4.46Å; C225-L229 WeakPolarHBondContact O-CG 3.29Å; W226-L229 HydrophobicContact CD2-CD1 4.36Å; W226-L229 HydrophobicContact CE3-CD1 3.77Å; W226-L229 HydrophobicContact CZ3-CD1 4.31Å; W226-L229 VanDerWaalsContact O-CB 3.32Å; W226-L229 WeakPolarHBondContact O-CB 3.1Å; W226-L229 WeakPolarHBondContact O-CG 3.46Å; W226-L229 PolarHBondContact O-N 2.89Å; L229-T233 HydrophobicContact CD1-CG2 4.32Å; L229-Q234 HydrophobicContact CB-CG 3.83Å; L229-Q234 PolarHBondContact O-NE2 3.03Å |
| 230 | P | 94.3 | Very high | 92.2 | Very high | 72 Ų | 72 | 59.3 Ų | 59.3 | 47% | 0.468 | 37% | 0.369 | S | S | . | . | trans | -54.8 | 143.1 | 170.3 | -24.2 | 33.7 | 0 | 0 | 0 | 111.5 | A232 T233 Q234 | P230-A232 PolarHBondContact O-N 2.83Å; P230-A232 VanDerWaalsContact O-N 3.16Å; P230-T233 WeakPolarHBondContact O-CA 3.39Å; P230-T233 WeakPolarHBondContact O-CB 3.38Å; P230-T233 PolarHBondContact O-N 3.21Å; P230-Q234 PolarHBondContact O-N 2.87Å | ||
| 231 | P | 93.1 | Very high | 92.2 | Very high | 109 Ų | 109 | 52.6 Ų | 52.6 | 71% | 0.708 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -54.7 | -36.6 | 179.3 | -28.5 | 35.4 | 0 | 0 | 0 | 113.6 | T233 Q234 A235 | P231-T233 VanDerWaalsContact C-N 3.34Å; P231-T233 PolarHBondContact O-N 2.94Å; P231-Q234 PolarHBondContact O-N 3.36Å; P231-A235 WeakPolarHBondContact O-CB 3.39Å; P231-A235 PolarHBondContact O-N 3.16Å |
| 232 | A | 91.7 | Very high | 92.2 | Very high | 78 Ų | 78 | 51.2 Ų | 51.2 | 65% | 0.645 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.8 | -41.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P230 A235 H236 | P230-A232 PolarHBondContact O-N 2.83Å; P230-A232 VanDerWaalsContact O-N 3.16Å; A232-A235 PolarHBondContact O-N 3.15Å; A232-H236 PolarHBondContact O-N 2.77Å; A232-H236 VanDerWaalsContact O-N 3.16Å |
| 233 | T | 92 | Very high | 92.2 | Very high | 43 Ų | 43 | 54.6 Ų | 54.6 | 26% | 0.264 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.6 | -44.8 | 175.7 | -52 | 0 | 0 | 0 | 0 | 110.7 | L229 P230 P231 A235 H236 Y237 | L229-T233 HydrophobicContact CD1-CG2 4.32Å; P230-T233 WeakPolarHBondContact O-CA 3.39Å; P230-T233 WeakPolarHBondContact O-CB 3.38Å; P230-T233 PolarHBondContact O-N 3.21Å; P231-T233 VanDerWaalsContact C-N 3.34Å; P231-T233 PolarHBondContact O-N 2.94Å; T233-A235 VanDerWaalsContact C-N 3.28Å; T233-A235 PolarHBondContact O-N 3.4Å; T233-H236 WeakPolarHBondContact O-CB 3.48Å; T233-H236 PolarHBondContact O-N 2.95Å; T233-H236 VanDerWaalsContact O-N 3.14Å; T233-Y237 HydrophobicContact CG2-CD2 4.24Å; T233-Y237 HydrophobicContact CG2-CE2 4.06Å; T233-Y237 WeakPolarHBondContact O-CD2 3.33Å; T233-Y237 PolarHBondContact O-N 3.31Å |
| 234 | Q | 91.9 | Very high | 92.1 | Very high | 54 Ų | 54 | 56.3 Ų | 56.3 | 25% | 0.252 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59 | -40.6 | 177.1 | -63.7 | -176.4 | 25.3 | 0 | 0 | 111.8 | W226 L229 P230 P231 H236 Y237 G238 | W226-Q234 HydrophobicContact CD2-CG 4.39Å; W226-Q234 HydrophobicContact CH2-CB 4.04Å; W226-Q234 HydrophobicContact CH2-CG 4.37Å; W226-Q234 WeakPolarHBondContact CH2-O 3.47Å; W226-Q234 HydrophobicContact CZ2-CB 3.71Å; W226-Q234 HydrophobicContact CZ2-CG 3.94Å; W226-Q234 PolarHBondContact O-NE2 3.45Å; L229-Q234 HydrophobicContact CB-CG 3.83Å; L229-Q234 PolarHBondContact O-NE2 3.03Å; P230-Q234 PolarHBondContact O-N 2.87Å; P231-Q234 PolarHBondContact O-N 3.36Å; Q234-H236 VanDerWaalsContact C-N 3.34Å; Q234-H236 PolarHBondContact O-N 2.92Å; Q234-Y237 PolarHBondContact O-N 3.01Å; Q234-G238 PolarHBondContact O-N 3.24Å |
| 235 | A | 91.4 | Very high | 92 | Very high | 61 Ų | 61 | 54.4 Ų | 54.4 | 50% | 0.504 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.5 | -36.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P231 A232 T233 Y237 G238 | P231-A235 WeakPolarHBondContact O-CB 3.39Å; P231-A235 PolarHBondContact O-N 3.16Å; A232-A235 PolarHBondContact O-N 3.15Å; T233-A235 VanDerWaalsContact C-N 3.28Å; T233-A235 PolarHBondContact O-N 3.4Å; A235-Y237 PolarHBondContact O-N 3.21Å; A235-G238 PolarHBondContact O-N 3.27Å |
| 236 | H | 91.6 | Very high | 91.9 | Very high | 75 Ų | 75 | 55 Ų | 55 | 35% | 0.347 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 178.1 | -173.3 | 73.9 | 0 | 0 | 0 | 112.8 | A232 T233 Q234 A314 Q315 | A232-H236 PolarHBondContact O-N 2.77Å; A232-H236 VanDerWaalsContact O-N 3.16Å; T233-H236 WeakPolarHBondContact O-CB 3.48Å; T233-H236 PolarHBondContact O-N 2.95Å; T233-H236 VanDerWaalsContact O-N 3.14Å; Q234-H236 VanDerWaalsContact C-N 3.34Å; Q234-H236 PolarHBondContact O-N 2.92Å; H236-A314 PolarHBondContact O-N 3.16Å; H236-Q315 PolarHBondContact ND1-OE1 3.27Å; H236-Q315 PolarHBondContact O-N 2.99Å |
| 237 | Y | 91.6 | Very high | 91.8 | Very high | 26 Ų | 26 | 59.4 Ų | 59.4 | 10% | 0.102 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -80.3 | -35.9 | 176.4 | -74.6 | -95.2 | 0 | 0 | 0 | 112 | P120 W123 W226 T233 Q234 A235 F241 P313 A314 | P120-Y237 HydrophobicContact CB-CE1 4.31Å; P120-Y237 HydrophobicContact CG-CE1 4.4Å; W123-Y237 AromaticContact CD1-CE2 3.89Å; W123-Y237 AromaticContact CD1-CZ 3.9Å; W123-Y237 AromaticContact CE2-CE1 3.98Å; W123-Y237 AromaticContact CZ2-CD1 3.69Å; W123-Y237 HydrophobicContact CZ2-CD1 3.69Å; W123-Y237 HydrophobicContact CZ2-CD2 4.35Å; W123-Y237 AromaticContact CZ2-CE1 3.96Å; W123-Y237 HydrophobicContact CZ2-CE1 3.96Å; W123-Y237 AromaticContact CZ2-CG 3.89Å; W123-Y237 HydrophobicContact CZ2-CG 3.89Å; W123-Y237 AromaticContact NE1-CD1 3.89Å; W123-Y237 AromaticContact NE1-CD2 3.49Å; W123-Y237 AromaticContact NE1-CE1 3.51Å; W123-Y237 AromaticContact NE1-CE2 3.1Å; W123-Y237 AromaticContact NE1-CG 3.89Å; W123-Y237 AromaticContact NE1-CZ 3.1Å; W226-Y237 HydrophobicContact CZ3-CG 4.35Å; T233-Y237 HydrophobicContact CG2-CD2 4.24Å; T233-Y237 HydrophobicContact CG2-CE2 4.06Å; T233-Y237 WeakPolarHBondContact O-CD2 3.33Å; T233-Y237 PolarHBondContact O-N 3.31Å; Q234-Y237 PolarHBondContact O-N 3.01Å; A235-Y237 PolarHBondContact O-N 3.21Å; Y237-F241 AromaticContact CD1-CD1 3.7Å; Y237-F241 HydrophobicContact CD1-CD1 3.7Å; Y237-F241 HydrophobicContact CD1-CD2 4.01Å; Y237-F241 AromaticContact CD1-CE1 3.58Å; Y237-F241 HydrophobicContact CD1-CE1 3.58Å; Y237-F241 AromaticContact CD1-CE2 3.85Å; Y237-F241 HydrophobicContact CD1-CE2 3.85Å; Y237-F241 AromaticContact CD1-CG 3.93Å; Y237-F241 HydrophobicContact CD1-CG 3.93Å; Y237-F241 AromaticContact CD1-CZ 3.66Å; Y237-F241 HydrophobicContact CD1-CZ 3.66Å; Y237-F241 HydrophobicContact CE1-CE1 4.08Å; Y237-F241 HydrophobicContact CE1-CE2 4.4Å; Y237-F241 AromaticContact CE1-CZ 3.96Å; Y237-F241 HydrophobicContact CE1-CZ 3.96Å; Y237-F241 HydrophobicContact CG-CD1 4.33Å; Y237-F241 HydrophobicContact CG-CG 4.47Å; Y237-F241 VanDerWaalsContact O-CB 3.32Å; Y237-F241 WeakPolarHBondContact O-CB 3.42Å; Y237-P313 HydrophobicContact CD1-CB 4.15Å; Y237-P313 HydrophobicContact CD1-CG 3.95Å; Y237-P313 HydrophobicContact CE1-CG 3.95Å; Y237-A314 WeakPolarHBondContact O-CB 3.49Å; Y237-A314 PolarHBondContact O-N 2.93Å |
| 238 | G | 90.1 | Very high | 91.6 | Very high | 16 Ų | 16 | 58.5 Ų | 58.5 | 17% | 0.165 | 34% | 0.344 | C | S | . | . | trans | 86 | 147.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q234 A235 A240 F241 | Q234-G238 PolarHBondContact O-N 3.24Å; A235-G238 PolarHBondContact O-N 3.27Å; G238-A240 PolarHBondContact O-N 3Å; G238-A240 VanDerWaalsContact O-N 3.13Å; G238-F241 VanDerWaalsContact O-CB 3.27Å; G238-F241 WeakPolarHBondContact O-CB 3.1Å; G238-F241 PolarHBondContact O-N 3.33Å | ||
| 239 | G | 80.1 | Confident | 91.4 | Very high | 66 Ų | 66 | 54.4 Ų | 54.4 | 68% | 0.68 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.7 | -27 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 240 | A | 90.5 | Very high | 91.1 | Very high | 58 Ų | 58 | 57.5 Ų | 57.5 | 48% | 0.479 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -79.9 | -14.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G238 T243 K244 | G238-A240 PolarHBondContact O-N 3Å; G238-A240 VanDerWaalsContact O-N 3.13Å; A240-T243 PolarHBondContact O-N 3.46Å; A240-K244 WeakPolarHBondContact O-CG 3.49Å; A240-K244 PolarHBondContact O-N 3.11Å |
| 241 | F | 92.6 | Very high | 91 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 5% | 0.048 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.5 | -48.8 | -175.5 | -180 | -86 | 0 | 0 | 0 | 111.5 | P120 W123 Y237 G238 T243 K244 Y245 P311 K312 P313 | P120-F241 HydrophobicContact CG-CE1 3.96Å; P120-F241 HydrophobicContact CG-CZ 4.23Å; W123-F241 AromaticContact CH2-CD1 3.69Å; W123-F241 HydrophobicContact CH2-CD1 3.69Å; W123-F241 AromaticContact CH2-CE1 3.63Å; W123-F241 HydrophobicContact CH2-CE1 3.63Å; W123-F241 AromaticContact CZ2-CD1 3.64Å; W123-F241 HydrophobicContact CZ2-CD1 3.64Å; W123-F241 AromaticContact CZ2-CE1 3.51Å; W123-F241 HydrophobicContact CZ2-CE1 3.51Å; Y237-F241 AromaticContact CD1-CD1 3.7Å; Y237-F241 HydrophobicContact CD1-CD1 3.7Å; Y237-F241 HydrophobicContact CD1-CD2 4.01Å; Y237-F241 AromaticContact CD1-CE1 3.58Å; Y237-F241 HydrophobicContact CD1-CE1 3.58Å; Y237-F241 AromaticContact CD1-CE2 3.85Å; Y237-F241 HydrophobicContact CD1-CE2 3.85Å; Y237-F241 AromaticContact CD1-CG 3.93Å; Y237-F241 HydrophobicContact CD1-CG 3.93Å; Y237-F241 AromaticContact CD1-CZ 3.66Å; Y237-F241 HydrophobicContact CD1-CZ 3.66Å; Y237-F241 HydrophobicContact CE1-CE1 4.08Å; Y237-F241 HydrophobicContact CE1-CE2 4.4Å; Y237-F241 AromaticContact CE1-CZ 3.96Å; Y237-F241 HydrophobicContact CE1-CZ 3.96Å; Y237-F241 HydrophobicContact CG-CD1 4.33Å; Y237-F241 HydrophobicContact CG-CG 4.47Å; Y237-F241 VanDerWaalsContact O-CB 3.32Å; Y237-F241 WeakPolarHBondContact O-CB 3.42Å; G238-F241 VanDerWaalsContact O-CB 3.27Å; G238-F241 WeakPolarHBondContact O-CB 3.1Å; G238-F241 PolarHBondContact O-N 3.33Å; F241-T243 VanDerWaalsContact C-N 3.34Å; F241-T243 PolarHBondContact O-N 3.03Å; F241-K244 PolarHBondContact O-N 3.31Å; F241-Y245 AromaticContact CE1-CD2 3.99Å; F241-Y245 HydrophobicContact CE1-CD2 3.99Å; F241-Y245 HydrophobicContact CE1-CG 4.41Å; F241-Y245 HydrophobicContact CZ-CD2 4.06Å; F241-Y245 WeakPolarHBondContact O-CB 3.42Å; F241-Y245 PolarHBondContact O-N 3.3Å; F241-P311 HydrophobicContact CD2-CB 4.36Å; F241-P311 HydrophobicContact CD2-CG 4.45Å; F241-P311 HydrophobicContact CE2-CB 4.18Å; F241-P311 HydrophobicContact CE2-CG 4Å; F241-P311 VanDerWaalsContact CE2-O 3.25Å; F241-P311 WeakPolarHBondContact CE2-O 3.47Å; F241-P311 HydrophobicContact CZ-CG 4.16Å; F241-K312 WeakPolarHBondContact CD2-O 3.41Å; F241-P313 HydrophobicContact CE2-CG 4.24Å |
| 242 | L | 92.2 | Very high | 90.8 | Very high | 20 Ų | 20 | 60 Ų | 60 | 11% | 0.105 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.3 | -49.3 | 179.3 | 177.7 | 65.3 | 0 | 0 | 0 | 111 | W123 L222 Q223 W226 K244 Y245 L246 | W123-L242 HydrophobicContact CH2-CD1 4.37Å; W123-L242 HydrophobicContact CZ3-CD1 4.17Å; L222-L242 HydrophobicContact CD2-CD1 4.14Å; L222-L242 HydrophobicContact CG-CD1 3.95Å; Q223-L242 HydrophobicContact CG-CD2 4.38Å; W226-L242 HydrophobicContact CB-CD1 4.2Å; W226-L242 HydrophobicContact CB-CD2 3.84Å; W226-L242 HydrophobicContact CD2-CB 4.22Å; W226-L242 HydrophobicContact CD2-CD2 4.15Å; W226-L242 HydrophobicContact CE3-CB 4.33Å; W226-L242 HydrophobicContact CG-CD2 3.64Å; W226-L242 HydrophobicContact CG-CG 4.46Å; L242-K244 VanDerWaalsContact C-N 3.34Å; L242-K244 PolarHBondContact O-N 2.94Å; L242-Y245 PolarHBondContact O-N 2.86Å; L242-L246 HydrophobicContact CD1-CD1 4.05Å; L242-L246 HydrophobicContact CD1-CG 4.13Å; L242-L246 HydrophobicContact CD2-CD1 4.5Å; L242-L246 HydrophobicContact CG-CD1 3.85Å; L242-L246 HydrophobicContact CG-CG 4.35Å; L242-L246 VanDerWaalsContact O-CG 3.27Å; L242-L246 WeakPolarHBondContact O-CG 3.11Å; L242-L246 PolarHBondContact O-N 2.93Å |
| 243 | T | 92.4 | Very high | 90.6 | Very high | 72 Ų | 72 | 56.9 Ų | 56.9 | 44% | 0.442 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 179.3 | -49 | 0 | 0 | 0 | 0 | 112.2 | A240 F241 K247 | A240-T243 PolarHBondContact O-N 3.46Å; F241-T243 VanDerWaalsContact C-N 3.34Å; F241-T243 PolarHBondContact O-N 3.03Å; T243-K247 HydrophobicContact CG2-CD 4.38Å; T243-K247 WeakPolarHBondContact O-CB 3.44Å; T243-K247 VanDerWaalsContact O-CG 3.31Å; T243-K247 WeakPolarHBondContact O-CG 3.5Å; T243-K247 PolarHBondContact O-N 2.7Å |
| 244 | K | 93.1 | Very high | 90.4 | Very high | 132 Ų | 132 | 59.3 Ų | 59.3 | 57% | 0.574 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.2 | -41.6 | 175.5 | -74.1 | 176.4 | -178.5 | -179.4 | 0 | 111.5 | A240 F241 L242 K247 M248 P311 | A240-K244 WeakPolarHBondContact O-CG 3.49Å; A240-K244 PolarHBondContact O-N 3.11Å; F241-K244 PolarHBondContact O-N 3.31Å; L242-K244 VanDerWaalsContact C-N 3.34Å; L242-K244 PolarHBondContact O-N 2.94Å; K244-K247 PolarHBondContact O-N 3.42Å; K244-M248 WeakPolarHBondContact O-CB 3.47Å; K244-M248 PolarHBondContact O-N 3.42Å; K244-P311 HydrophobicContact CB-CB 4.06Å; K244-P311 HydrophobicContact CB-CG 4.47Å |
| 245 | Y | 91.4 | Very high | 90.3 | Very high | 21 Ų | 21 | 63.5 Ų | 63.5 | 8% | 0.082 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.3 | -49.5 | 178.9 | -167.5 | -79.7 | 0 | 0 | 0 | 111.3 | P120 L222 F241 L242 K247 M248 Q249 L310 P311 | P120-Y245 HydrophobicContact CG-CE2 4.17Å; L222-Y245 HydrophobicContact CD2-CD1 3.4Å; L222-Y245 HydrophobicContact CD2-CE1 3.65Å; L222-Y245 HydrophobicContact CD2-CG 4.45Å; F241-Y245 AromaticContact CE1-CD2 3.99Å; F241-Y245 HydrophobicContact CE1-CD2 3.99Å; F241-Y245 HydrophobicContact CE1-CG 4.41Å; F241-Y245 HydrophobicContact CZ-CD2 4.06Å; F241-Y245 WeakPolarHBondContact O-CB 3.42Å; F241-Y245 PolarHBondContact O-N 3.3Å; L242-Y245 PolarHBondContact O-N 2.86Å; Y245-K247 PolarHBondContact O-N 3.33Å; Y245-M248 PolarHBondContact O-N 3.18Å; Y245-M248 VanDerWaalsContact O-N 3.16Å; Y245-Q249 WeakPolarHBondContact O-CB 3.35Å; Y245-Q249 PolarHBondContact O-N 3.43Å; Y245-L310 HydrophobicContact CE2-CD2 4.1Å; Y245-P311 HydrophobicContact CD2-CG 3.84Å; Y245-P311 HydrophobicContact CG-CG 4.34Å |
| 246 | L | 91.8 | Very high | 90.1 | Very high | 16 Ų | 16 | 61.1 Ų | 61.1 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.2 | -48.2 | 176.1 | -67.7 | 167.5 | 0 | 0 | 0 | 111.1 | E219 L222 Q223 L242 M248 Q249 Q250 | E219-L246 HydrophobicContact CB-CD2 3.89Å; E219-L246 HydrophobicContact CG-CD2 3.75Å; L222-L246 HydrophobicContact CB-CD2 4.22Å; L222-L246 HydrophobicContact CD2-CD2 3.76Å; L222-L246 HydrophobicContact CD2-CG 4.37Å; L222-L246 HydrophobicContact CG-CD2 4.37Å; Q223-L246 HydrophobicContact CG-CD1 4.23Å; L242-L246 HydrophobicContact CD1-CD1 4.05Å; L242-L246 HydrophobicContact CD1-CG 4.13Å; L242-L246 HydrophobicContact CD2-CD1 4.5Å; L242-L246 HydrophobicContact CG-CD1 3.85Å; L242-L246 HydrophobicContact CG-CG 4.35Å; L242-L246 VanDerWaalsContact O-CG 3.27Å; L242-L246 WeakPolarHBondContact O-CG 3.11Å; L242-L246 PolarHBondContact O-N 2.93Å; L246-M248 VanDerWaalsContact C-N 3.32Å; L246-M248 PolarHBondContact O-N 3.45Å; L246-Q249 PolarHBondContact O-N 3.4Å; L246-Q250 WeakPolarHBondContact O-CB 3.45Å; L246-Q250 PolarHBondContact O-N 3.35Å |
| 247 | K | 92.5 | Very high | 90.1 | Very high | 122 Ų | 122 | 58.1 Ų | 58.1 | 53% | 0.53 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 176.8 | -76.6 | 179.2 | 179.5 | -178.9 | 0 | 112.6 | T243 K244 Y245 R251 | T243-K247 HydrophobicContact CG2-CD 4.38Å; T243-K247 WeakPolarHBondContact O-CB 3.44Å; T243-K247 VanDerWaalsContact O-CG 3.31Å; T243-K247 WeakPolarHBondContact O-CG 3.5Å; T243-K247 PolarHBondContact O-N 2.7Å; K244-K247 PolarHBondContact O-N 3.42Å; Y245-K247 PolarHBondContact O-N 3.33Å; K247-R251 WeakPolarHBondContact O-CB 3.3Å; K247-R251 VanDerWaalsContact O-CG 3.27Å; K247-R251 WeakPolarHBondContact O-CG 3.37Å; K247-R251 PolarHBondContact O-N 3.35Å |
| 248 | M | 90.8 | Very high | 90.1 | Very high | 55 Ų | 55 | 57.6 Ų | 57.6 | 27% | 0.271 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.3 | -47.2 | 177.9 | -174.5 | 56.2 | 78 | 0 | 0 | 111 | K244 Y245 L246 Q250 R251 I252 I309 | K244-M248 WeakPolarHBondContact O-CB 3.47Å; K244-M248 PolarHBondContact O-N 3.42Å; Y245-M248 PolarHBondContact O-N 3.18Å; Y245-M248 VanDerWaalsContact O-N 3.16Å; L246-M248 VanDerWaalsContact C-N 3.32Å; L246-M248 PolarHBondContact O-N 3.45Å; M248-Q250 VanDerWaalsContact C-N 3.32Å; M248-Q250 PolarHBondContact O-N 3.31Å; M248-R251 PolarHBondContact O-N 2.94Å; M248-I252 HydrophobicContact CG-CD1 3.91Å; M248-I252 WeakPolarHBondContact O-CG1 3.38Å; M248-I252 PolarHBondContact O-N 3.22Å; M248-I252 HydrophobicContact SD-CD1 4.18Å; M248-I252 HydrophobicContact SD-CG1 4.28Å; M248-I309 WeakPolarHBondContact CE-O 3.45Å; M248-I309 HydrophobicContact CG-CG2 4.32Å; M248-I309 HydrophobicContact SD-CG2 4.06Å |
| 249 | Q | 88.9 | Confident | 90.2 | Very high | 22 Ų | 22 | 60.8 Ų | 60.8 | 10% | 0.103 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.5 | -45.9 | 175.8 | -174.3 | 174.2 | 3.9 | 0 | 0 | 111.1 | Y245 L246 R251 I252 M253 | Y245-Q249 WeakPolarHBondContact O-CB 3.35Å; Y245-Q249 PolarHBondContact O-N 3.43Å; L246-Q249 PolarHBondContact O-N 3.4Å; Q249-R251 PolarHBondContact O-N 3.32Å; Q249-I252 PolarHBondContact O-N 3.19Å; Q249-M253 HydrophobicContact CG-CG 4.37Å; Q249-M253 WeakPolarHBondContact O-CB 3.48Å; Q249-M253 WeakPolarHBondContact O-CG 3.34Å; Q249-M253 PolarHBondContact O-N 3.43Å |
| 250 | Q | 90.1 | Very high | 90.9 | Very high | 79 Ų | 79 | 60.5 Ų | 60.5 | 37% | 0.369 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.5 | -45 | 177 | -162.2 | -173.5 | 23.6 | 0 | 0 | 112.3 | L215 L246 M248 N254 | L215-Q250 HydrophobicContact CD1-CG 3.93Å; L215-Q250 HydrophobicContact CD2-CB 4.48Å; L215-Q250 HydrophobicContact CD2-CG 4.32Å; L246-Q250 WeakPolarHBondContact O-CB 3.45Å; L246-Q250 PolarHBondContact O-N 3.35Å; M248-Q250 VanDerWaalsContact C-N 3.32Å; M248-Q250 PolarHBondContact O-N 3.31Å; Q250-N254 VanDerWaalsContact O-CB 3.31Å; Q250-N254 WeakPolarHBondContact O-CB 3.44Å; Q250-N254 VanDerWaalsContact O-CG 3.24Å; Q250-N254 PolarHBondContact O-N 3.43Å; Q250-N254 PolarHBondContact O-ND2 2.84Å |
| 251 | R | 91.2 | Very high | 91.1 | Very high | 174 Ų | 174 | 59.3 Ų | 59.3 | 66% | 0.657 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62 | -47.7 | 177.2 | -77.2 | 174.4 | 179.5 | -178.7 | -1.7 | 112.2 | K247 M248 Q249 N254 L255 | K247-R251 WeakPolarHBondContact O-CB 3.3Å; K247-R251 VanDerWaalsContact O-CG 3.27Å; K247-R251 WeakPolarHBondContact O-CG 3.37Å; K247-R251 PolarHBondContact O-N 3.35Å; M248-R251 PolarHBondContact O-N 2.94Å; Q249-R251 PolarHBondContact O-N 3.32Å; R251-N254 PolarHBondContact O-N 2.83Å; R251-L255 WeakPolarHBondContact O-CB 3.27Å; R251-L255 PolarHBondContact O-N 3Å; R251-L255 VanDerWaalsContact O-N 3.13Å |
| 252 | I | 89.1 | Confident | 91.2 | Very high | 58 Ų | 58 | 61.3 Ų | 61.3 | 30% | 0.297 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.8 | -53.8 | 179.4 | -69.5 | 169.5 | 0 | 0 | 0 | 109.3 | M248 Q249 N254 L255 I256 I309 | M248-I252 HydrophobicContact CG-CD1 3.91Å; M248-I252 WeakPolarHBondContact O-CG1 3.38Å; M248-I252 PolarHBondContact O-N 3.22Å; M248-I252 HydrophobicContact SD-CD1 4.18Å; M248-I252 HydrophobicContact SD-CG1 4.28Å; Q249-I252 PolarHBondContact O-N 3.19Å; I252-N254 VanDerWaalsContact C-N 3.33Å; I252-N254 PolarHBondContact O-N 3.15Å; I252-L255 WeakPolarHBondContact O-CB 3.16Å; I252-L255 PolarHBondContact O-N 3.2Å; I252-I256 HydrophobicContact CG2-CD1 3.61Å; I252-I256 HydrophobicContact CG2-CG1 4.32Å; I252-I256 VanDerWaalsContact O-CG1 3.32Å; I252-I256 WeakPolarHBondContact O-CG1 3.49Å; I252-I256 PolarHBondContact O-N 3.05Å; I252-I309 HydrophobicContact CD1-CG2 3.88Å |
| 253 | M | 87.6 | Confident | 91.5 | Very high | 14 Ų | 14 | 64 Ų | 64 | 7% | 0.069 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60 | -40.7 | -178.4 | -67.7 | -63.2 | -74.9 | 0 | 0 | 112.5 | F207 T213 L215 L218 Q249 L255 I256 C257 | F207-M253 HydrophobicContact CD1-CE 4.1Å; F207-M253 HydrophobicContact CD1-SD 3.59Å; F207-M253 VanDerWaalsContact CD1-SD 3.59Å; F207-M253 HydrophobicContact CE1-SD 3.71Å; T213-M253 VanDerWaalsContact CB-CE 3.45Å; T213-M253 HydrophobicContact CG2-CE 3.73Å; L215-M253 HydrophobicContact CD2-CB 3.75Å; L215-M253 HydrophobicContact CD2-CG 3.93Å; L215-M253 HydrophobicContact CG-CB 4.47Å; L218-M253 HydrophobicContact CD1-CE 4.43Å; Q249-M253 HydrophobicContact CG-CG 4.37Å; Q249-M253 WeakPolarHBondContact O-CB 3.48Å; Q249-M253 WeakPolarHBondContact O-CG 3.34Å; Q249-M253 PolarHBondContact O-N 3.43Å; M253-L255 VanDerWaalsContact C-N 3.26Å; M253-L255 PolarHBondContact O-N 3.01Å; M253-I256 PolarHBondContact O-N 2.94Å; M253-C257 WeakPolarHBondContact CE-SG 3.46Å; M253-C257 WeakPolarHBondContact O-CB 3.25Å; M253-C257 PolarHBondContact O-N 3.28Å; M253-C257 PolarHBondContact O-SG 3.13Å |
| 254 | N | 88.5 | Confident | 91.7 | Very high | 93 Ų | 93 | 60.5 Ų | 60.5 | 50% | 0.497 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.1 | -29.8 | 176.4 | -77.1 | -22 | 0 | 0 | 0 | 113.1 | L215 Q250 R251 I252 | L215-N254 WeakPolarHBondContact CD1-OD1 3.2Å; Q250-N254 VanDerWaalsContact O-CB 3.31Å; Q250-N254 WeakPolarHBondContact O-CB 3.44Å; Q250-N254 VanDerWaalsContact O-CG 3.24Å; Q250-N254 PolarHBondContact O-N 3.43Å; Q250-N254 PolarHBondContact O-ND2 2.84Å; R251-N254 PolarHBondContact O-N 2.83Å; I252-N254 VanDerWaalsContact C-N 3.33Å; I252-N254 PolarHBondContact O-N 3.15Å |
| 255 | L | 88.4 | Confident | 91.9 | Very high | 142 Ų | 142 | 54.2 Ų | 54.2 | 74% | 0.743 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -78.4 | -41.3 | 178.9 | -175.1 | 70.5 | 0 | 0 | 0 | 112.3 | R251 I252 M253 | R251-L255 WeakPolarHBondContact O-CB 3.27Å; R251-L255 PolarHBondContact O-N 3Å; R251-L255 VanDerWaalsContact O-N 3.13Å; I252-L255 WeakPolarHBondContact O-CB 3.16Å; I252-L255 PolarHBondContact O-N 3.2Å; M253-L255 VanDerWaalsContact C-N 3.26Å; M253-L255 PolarHBondContact O-N 3.01Å |
| 256 | I | 88.7 | Confident | 92.1 | Very high | 11 Ų | 11 | 58.8 Ų | 58.8 | 6% | 0.056 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -101.7 | -22.3 | -168.4 | 70.4 | -177.8 | 0 | 0 | 0 | 114.2 | F207 I252 M253 D258 W291 | F207-I256 HydrophobicContact CB-CB 4.36Å; F207-I256 HydrophobicContact CB-CD1 3.95Å; F207-I256 HydrophobicContact CB-CG1 3.65Å; F207-I256 HydrophobicContact CD1-CD1 3.7Å; F207-I256 HydrophobicContact CD1-CG1 4.12Å; F207-I256 HydrophobicContact CD2-CD1 3.4Å; F207-I256 VanDerWaalsContact CD2-CD1 3.4Å; F207-I256 HydrophobicContact CD2-CG1 4.09Å; F207-I256 HydrophobicContact CE1-CD1 3.98Å; F207-I256 HydrophobicContact CE2-CD1 3.72Å; F207-I256 HydrophobicContact CG-CD1 3.39Å; F207-I256 HydrophobicContact CG-CG1 3.69Å; F207-I256 HydrophobicContact CZ-CD1 3.98Å; I252-I256 HydrophobicContact CG2-CD1 3.61Å; I252-I256 HydrophobicContact CG2-CG1 4.32Å; I252-I256 VanDerWaalsContact O-CG1 3.32Å; I252-I256 WeakPolarHBondContact O-CG1 3.49Å; I252-I256 PolarHBondContact O-N 3.05Å; M253-I256 PolarHBondContact O-N 2.94Å; I256-D258 PolarHBondContact O-N 2.94Å; I256-D258 VanDerWaalsContact O-N 3.13Å; I256-W291 HydrophobicContact CD1-CZ2 4.32Å |
| 257 | C | 89.8 | Confident | 92.4 | Very high | 12 Ų | 12 | 59.2 Ų | 59.2 | 8% | 0.081 | 29% | 0.293 | C | S | . | . | trans | -72.3 | 108.8 | -177.1 | -74.5 | 0 | 0 | 0 | 0 | 112.4 | F207 R209 M253 | F207-C257 WeakPolarHBondContact O-CA 3.42Å; R209-C257 HydrophobicContact CG-CB 3.78Å; R209-C257 PolarHBondContact NE-O 2.84Å; M253-C257 WeakPolarHBondContact CE-SG 3.46Å; M253-C257 WeakPolarHBondContact O-CB 3.25Å; M253-C257 PolarHBondContact O-N 3.28Å; M253-C257 PolarHBondContact O-SG 3.13Å | ||
| 258 | D | 92.5 | Very high | 92.7 | Very high | 16 Ų | 16 | 53.4 Ų | 53.4 | 9% | 0.086 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -73.2 | 127.6 | 175.9 | -161.2 | -35.9 | 0 | 0 | 0 | 110.8 | F207 F208 R209 I256 D260 K263 | F207-D258 PolarHBondContact O-N 2.96Å; F208-D258 VanDerWaalsContact CA-O 3.3Å; F208-D258 WeakPolarHBondContact CA-O 3.09Å; F208-D258 HydrophobicContact CD1-CB 3.77Å; F208-D258 HydrophobicContact CE1-CB 3.8Å; F208-D258 HydrophobicContact CG-CB 4.46Å; R209-D258 PolarHBondContact N-O 2.68Å; I256-D258 PolarHBondContact O-N 2.94Å; I256-D258 VanDerWaalsContact O-N 3.13Å; D258-D260 VanDerWaalsContact C-N 3.31Å; D258-D260 WeakPolarHBondContact OD1-CB 3.32Å; D258-D260 PolarHBondContact OD1-N 3Å; D258-K263 VanDerWaalsContact CG-NZ 3.3Å; D258-K263 IonicContact OD1-NZ 3.65Å; D258-K263 PolarHBondContact OD1-NZ 2.87Å; D258-K263 IonicContact OD2-NZ 3.1Å; D258-K263 PolarHBondContact OD2-NZ 3.37Å |
| 259 | P | 92.3 | Very high | 93 | Very high | 83 Ų | 83 | 51.2 Ų | 51.2 | 54% | 0.539 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -74.7 | -20.3 | 175.8 | 30.6 | -35.6 | 0 | 0 | 0 | 113.3 | L261 | P259-L261 PolarHBondContact O-N 2.91Å; P259-L261 VanDerWaalsContact O-N 3.12Å |
| 260 | D | 94.9 | Very high | 93.4 | Very high | 59 Ų | 59 | 52.4 Ų | 52.4 | 32% | 0.316 | 26% | 0.262 | S | S | . | . | trans | -84.7 | 89.1 | -173.6 | -179.7 | 14.1 | 0 | 0 | 0 | 111.8 | F208 D258 T262 K263 | F208-D260 VanDerWaalsContact CE1-O 3.29Å; F208-D260 WeakPolarHBondContact CE1-O 3.41Å; D258-D260 VanDerWaalsContact C-N 3.31Å; D258-D260 WeakPolarHBondContact OD1-CB 3.32Å; D258-D260 PolarHBondContact OD1-N 3Å; D260-T262 PolarHBondContact O-N 3.5Å; D260-T262 VanDerWaalsContact OD1-CB 3.25Å; D260-T262 WeakPolarHBondContact OD1-CB 3.39Å; D260-T262 WeakPolarHBondContact OD1-CG2 3.36Å; D260-T262 PolarHBondContact OD1-N 3.48Å; D260-T262 PolarHBondContact OD1-OG1 3.26Å; D260-T262 PolarHBondContact OD2-OG1 2.85Å; D260-K263 HydrophobicContact CB-CD 4.41Å; D260-K263 VanDerWaalsContact OD2-CE 3.24Å; D260-K263 WeakPolarHBondContact OD2-CE 3.44Å | ||
| 261 | L | 94.9 | Very high | 93.7 | Very high | 33 Ų | 33 | 48.6 Ų | 48.6 | 17% | 0.173 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -14.5 | 177.8 | -51.6 | -173 | 0 | 0 | 0 | 113.1 | F40 L43 F208 T210 P259 K263 V264 S265 | F40-L261 HydrophobicContact CD1-CB 4.18Å; F40-L261 HydrophobicContact CD1-CD2 4.36Å; F40-L261 HydrophobicContact CE1-CB 4.07Å; F40-L261 HydrophobicContact CE1-CD2 3.64Å; F40-L261 HydrophobicContact CE1-CG 4.3Å; F40-L261 HydrophobicContact CZ-CD2 4.39Å; L43-L261 HydrophobicContact CD2-CB 3.71Å; F208-L261 HydrophobicContact CB-CD2 3.82Å; F208-L261 HydrophobicContact CD1-CD2 4.1Å; F208-L261 HydrophobicContact CG-CD2 4.36Å; T210-L261 HydrophobicContact CG2-CD1 4.39Å; T210-L261 HydrophobicContact CG2-CD2 3.89Å; P259-L261 PolarHBondContact O-N 2.91Å; P259-L261 VanDerWaalsContact O-N 3.12Å; L261-K263 PolarHBondContact O-N 2.94Å; L261-V264 PolarHBondContact O-N 3.16Å; L261-S265 PolarHBondContact O-N 3.07Å; L261-S265 VanDerWaalsContact O-N 3.16Å |
| 262 | T | 95.3 | Very high | 94 | Very high | 54 Ų | 54 | 40.3 Ų | 40.3 | 33% | 0.331 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.1 | -26.3 | -178.3 | 74.4 | 0 | 0 | 0 | 0 | 111.9 | D260 V264 S265 Q266 | D260-T262 PolarHBondContact O-N 3.5Å; D260-T262 VanDerWaalsContact OD1-CB 3.25Å; D260-T262 WeakPolarHBondContact OD1-CB 3.39Å; D260-T262 WeakPolarHBondContact OD1-CG2 3.36Å; D260-T262 PolarHBondContact OD1-N 3.48Å; D260-T262 PolarHBondContact OD1-OG1 3.26Å; D260-T262 PolarHBondContact OD2-OG1 2.85Å; T262-V264 PolarHBondContact O-N 3.43Å; T262-S265 WeakPolarHBondContact CA-OG 3.27Å; T262-S265 PolarHBondContact O-N 2.88Å; T262-S265 PolarHBondContact O-OG 3.31Å; T262-Q266 VanDerWaalsContact O-CB 3.24Å; T262-Q266 WeakPolarHBondContact O-CB 3.3Å; T262-Q266 WeakPolarHBondContact O-CG 3.48Å; T262-Q266 PolarHBondContact O-N 3.16Å |
| 263 | K | 96.9 | Very high | 94.3 | Very high | 75 Ų | 75 | 38.5 Ų | 38.5 | 33% | 0.326 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.4 | -38.2 | 173.2 | -65.2 | 172.2 | -172.5 | 166.1 | 0 | 111.9 | F208 D258 D260 L261 C267 P283 | F208-K263 HydrophobicContact CE1-CB 4.09Å; F208-K263 HydrophobicContact CE1-CD 4.24Å; F208-K263 HydrophobicContact CZ-CB 4.17Å; D258-K263 VanDerWaalsContact CG-NZ 3.3Å; D258-K263 IonicContact OD1-NZ 3.65Å; D258-K263 PolarHBondContact OD1-NZ 2.87Å; D258-K263 IonicContact OD2-NZ 3.1Å; D258-K263 PolarHBondContact OD2-NZ 3.37Å; D260-K263 HydrophobicContact CB-CD 4.41Å; D260-K263 VanDerWaalsContact OD2-CE 3.24Å; D260-K263 WeakPolarHBondContact OD2-CE 3.44Å; L261-K263 PolarHBondContact O-N 2.94Å; K263-C267 PolarHBondContact O-N 3.47Å; K263-C267 PolarHBondContact O-SG 3.11Å; K263-P283 HydrophobicContact CB-CB 4.34Å; K263-P283 WeakPolarHBondContact O-CB 3.45Å |
| 264 | V | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -79 | -47.1 | 178.1 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | F40 V203 P205 F208 L261 T262 Q266 C267 L268 P283 | F40-V264 HydrophobicContact CD1-CB 3.73Å; F40-V264 HydrophobicContact CD1-CG1 3.81Å; F40-V264 HydrophobicContact CD1-CG2 4.12Å; F40-V264 HydrophobicContact CD2-CG1 4.16Å; F40-V264 HydrophobicContact CE1-CB 3.57Å; F40-V264 HydrophobicContact CE1-CG1 3.9Å; F40-V264 HydrophobicContact CE1-CG2 3.41Å; F40-V264 VanDerWaalsContact CE1-CG2 3.41Å; F40-V264 HydrophobicContact CE2-CG1 4.25Å; F40-V264 HydrophobicContact CE2-CG2 4.45Å; F40-V264 HydrophobicContact CG-CB 4.37Å; F40-V264 HydrophobicContact CG-CG1 3.94Å; F40-V264 HydrophobicContact CZ-CB 4.1Å; F40-V264 HydrophobicContact CZ-CG1 4.12Å; F40-V264 HydrophobicContact CZ-CG2 3.61Å; V203-V264 HydrophobicContact CG1-CG1 4.37Å; P205-V264 HydrophobicContact CB-CG2 4.19Å; P205-V264 HydrophobicContact CG-CG1 4.08Å; P205-V264 HydrophobicContact CG-CG2 4.37Å; F208-V264 HydrophobicContact CD1-CG2 4.16Å; F208-V264 HydrophobicContact CD2-CG2 3.84Å; F208-V264 HydrophobicContact CE1-CG2 3.89Å; F208-V264 HydrophobicContact CE2-CG2 3.55Å; F208-V264 HydrophobicContact CG-CG2 4.14Å; F208-V264 HydrophobicContact CZ-CG2 3.58Å; L261-V264 PolarHBondContact O-N 3.16Å; T262-V264 PolarHBondContact O-N 3.43Å; V264-Q266 VanDerWaalsContact C-N 3.31Å; V264-Q266 PolarHBondContact O-N 3.34Å; V264-C267 WeakPolarHBondContact O-CB 3.33Å; V264-C267 PolarHBondContact O-N 2.67Å; V264-C267 VanDerWaalsContact O-N 3.08Å; V264-L268 HydrophobicContact CG1-CD1 4Å; V264-L268 HydrophobicContact CG1-CG 4.38Å; V264-L268 WeakPolarHBondContact O-CG 3.37Å; V264-L268 PolarHBondContact O-N 3.49Å; V264-P283 HydrophobicContact CB-CG 4.27Å; V264-P283 HydrophobicContact CG1-CG 4.32Å; V264-P283 HydrophobicContact CG2-CB 3.96Å; V264-P283 HydrophobicContact CG2-CG 3.78Å |
| 265 | S | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.5 | -35 | -179 | 72.9 | 0 | 0 | 0 | 0 | 112.9 | Q47 L261 T262 L268 E269 | Q47-S265 PolarHBondContact OE1-OG 3.03Å; L261-S265 PolarHBondContact O-N 3.07Å; L261-S265 VanDerWaalsContact O-N 3.16Å; T262-S265 WeakPolarHBondContact CA-OG 3.27Å; T262-S265 PolarHBondContact O-N 2.88Å; T262-S265 PolarHBondContact O-OG 3.31Å; S265-L268 PolarHBondContact O-N 3.28Å; S265-E269 WeakPolarHBondContact O-CB 3.5Å; S265-E269 PolarHBondContact O-N 3.09Å |
| 266 | Q | 96.4 | Very high | 95.3 | Very high | 116 Ų | 116 | 36.6 Ų | 36.6 | 54% | 0.542 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.4 | -39.1 | 172.2 | -73 | 170.8 | 4.8 | 0 | 0 | 112.3 | T262 V264 H270 | T262-Q266 VanDerWaalsContact O-CB 3.24Å; T262-Q266 WeakPolarHBondContact O-CB 3.3Å; T262-Q266 WeakPolarHBondContact O-CG 3.48Å; T262-Q266 PolarHBondContact O-N 3.16Å; V264-Q266 VanDerWaalsContact C-N 3.31Å; V264-Q266 PolarHBondContact O-N 3.34Å; Q266-H270 VanDerWaalsContact O-CB 3.27Å; Q266-H270 WeakPolarHBondContact O-CB 3.37Å; Q266-H270 PolarHBondContact O-N 3.43Å |
| 267 | C | 97.9 | Very high | 95.7 | Very high | 25 Ų | 25 | 37.2 Ų | 37.2 | 17% | 0.169 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.7 | -41.6 | 174.7 | -70.9 | 0 | 0 | 0 | 0 | 111.6 | V203 K263 V264 H270 A271 Y281 P283 | V203-C267 HydrophobicContact CG1-CB 4.41Å; K263-C267 PolarHBondContact O-N 3.47Å; K263-C267 PolarHBondContact O-SG 3.11Å; V264-C267 WeakPolarHBondContact O-CB 3.33Å; V264-C267 PolarHBondContact O-N 2.67Å; V264-C267 VanDerWaalsContact O-N 3.08Å; C267-H270 PolarHBondContact O-N 2.9Å; C267-A271 WeakPolarHBondContact O-CB 3.25Å; C267-A271 PolarHBondContact O-N 3.06Å; C267-Y281 HydrophobicContact CB-CD1 4.06Å; C267-Y281 HydrophobicContact CB-CG 4.23Å; C267-P283 HydrophobicContact CB-CG 4.49Å |
| 268 | L | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63 | -47.1 | 176.3 | -67.3 | 167.6 | 0 | 0 | 0 | 111.2 | L44 V109 I159 I161 V203 V264 S265 H270 A271 L272 | L44-L268 HydrophobicContact CD1-CB 3.9Å; L44-L268 HydrophobicContact CD2-CB 3.87Å; L44-L268 HydrophobicContact CD2-CD1 4.01Å; L44-L268 HydrophobicContact CD2-CG 4.43Å; L44-L268 HydrophobicContact CG-CB 4.48Å; V109-L268 HydrophobicContact CG1-CD2 4.11Å; I159-L268 HydrophobicContact CG2-CD2 3.67Å; I161-L268 HydrophobicContact CD1-CD1 3.74Å; I161-L268 HydrophobicContact CD1-CD2 3.69Å; I161-L268 HydrophobicContact CD1-CG 4.36Å; I161-L268 HydrophobicContact CG1-CD2 3.81Å; V203-L268 HydrophobicContact CB-CD2 4.22Å; V203-L268 HydrophobicContact CG1-CD2 4.48Å; V203-L268 HydrophobicContact CG2-CD2 3.71Å; V203-L268 HydrophobicContact CG2-CG 4.49Å; V264-L268 HydrophobicContact CG1-CD1 4Å; V264-L268 HydrophobicContact CG1-CG 4.38Å; V264-L268 WeakPolarHBondContact O-CG 3.37Å; V264-L268 PolarHBondContact O-N 3.49Å; S265-L268 PolarHBondContact O-N 3.28Å; L268-H270 PolarHBondContact O-N 3.2Å; L268-A271 PolarHBondContact O-N 3.02Å; L268-L272 WeakPolarHBondContact O-CG 3.29Å; L268-L272 PolarHBondContact O-N 3.21Å |
| 269 | E | 96.7 | Very high | 96.2 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 175.4 | 176.4 | 169.9 | -153.1 | 0 | 0 | 111.8 | Q47 L48 R51 S265 A271 L272 T273 | Q47-E269 PolarHBondContact NE2-OE2 2.92Å; L48-E269 HydrophobicContact CD2-CG 4.45Å; R51-E269 WeakPolarHBondContact CD-OE1 3.47Å; R51-E269 WeakPolarHBondContact CG-OE1 3.47Å; R51-E269 IonicContact CZ-OE1 2.97Å; R51-E269 IonicContact CZ-OE2 3.75Å; R51-E269 IonicContact NE-OE1 2.58Å; R51-E269 PolarHBondContact NE-OE1 3.12Å; R51-E269 VanDerWaalsContact NE-OE1 3.1Å; R51-E269 IonicContact NE-OE2 2.84Å; R51-E269 IonicContact NH1-OE1 2.72Å; R51-E269 PolarHBondContact NH1-OE1 3.37Å; R51-E269 IonicContact NH1-OE2 3.27Å; R51-E269 PolarHBondContact NH1-OE2 3.43Å; R51-E269 IonicContact NH2-OE1 3.27Å; R51-E269 IonicContact NH2-OE2 3.71Å; R51-E269 PolarHBondContact NH2-OE2 3.35Å; S265-E269 WeakPolarHBondContact O-CB 3.5Å; S265-E269 PolarHBondContact O-N 3.09Å; E269-A271 VanDerWaalsContact C-N 3.31Å; E269-A271 PolarHBondContact O-N 2.89Å; E269-L272 WeakPolarHBondContact O-CB 3.43Å; E269-L272 PolarHBondContact O-N 3.44Å; E269-L272 VanDerWaalsContact O-N 3.14Å; E269-T273 HydrophobicContact CG-CG2 4.14Å; E269-T273 WeakPolarHBondContact O-CB 3.34Å; E269-T273 WeakPolarHBondContact O-CG2 3.31Å; E269-T273 PolarHBondContact O-N 3.43Å; E269-T273 PolarHBondContact O-OG1 2.9Å |
| 270 | H | 97.4 | Very high | 96.5 | Very high | 47 Ų | 47 | 42.5 Ų | 42.5 | 22% | 0.218 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.4 | -41.9 | 176.5 | -176.5 | -80.8 | 0 | 0 | 0 | 111.3 | D20 Q266 C267 L268 L272 T273 A274 Y281 | D20-H270 PolarHBondContact O-NE2 2.77Å; D20-H270 IonicContact OD1-CE1 3.05Å; D20-H270 PolarHBondContact OD1-CE1 3.24Å; D20-H270 IonicContact OD1-NE2 3.77Å; D20-H270 IonicContact OD2-CE1 3.6Å; D20-H270 IonicContact OD2-NE2 3.18Å; Q266-H270 VanDerWaalsContact O-CB 3.27Å; Q266-H270 WeakPolarHBondContact O-CB 3.37Å; Q266-H270 PolarHBondContact O-N 3.43Å; C267-H270 PolarHBondContact O-N 2.9Å; L268-H270 PolarHBondContact O-N 3.2Å; H270-L272 VanDerWaalsContact C-N 3.25Å; H270-L272 PolarHBondContact O-N 3.07Å; H270-T273 PolarHBondContact O-N 3Å; H270-A274 VanDerWaalsContact CE1-CB 3.44Å; H270-A274 WeakPolarHBondContact CE1-CB 3.21Å; H270-A274 WeakPolarHBondContact O-CB 3.33Å; H270-A274 PolarHBondContact O-N 3.39Å; H270-Y281 HydrophobicContact CB-CE1 4.26Å; H270-Y281 AromaticContact ND1-CE1 3.25Å; H270-Y281 VanDerWaalsContact ND1-CE1 3.25Å; H270-Y281 WeakPolarHBondContact ND1-CE1 3.24Å; H270-Y281 AromaticContact ND1-CZ 3.48Å; H270-Y281 PolarHBondContact ND1-OH 3.38Å |
| 271 | A | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.7 | -35.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R157 I159 C267 L268 E269 Y281 | R157-A271 PolarHBondContact NH1-O 3.26Å; I159-A271 HydrophobicContact CD1-CB 3.56Å; I159-A271 HydrophobicContact CG1-CB 3.86Å; C267-A271 WeakPolarHBondContact O-CB 3.25Å; C267-A271 PolarHBondContact O-N 3.06Å; L268-A271 PolarHBondContact O-N 3.02Å; E269-A271 VanDerWaalsContact C-N 3.31Å; E269-A271 PolarHBondContact O-N 2.89Å; A271-Y281 WeakPolarHBondContact CA-OH 3.35Å; A271-Y281 HydrophobicContact CB-CD2 4.21Å; A271-Y281 HydrophobicContact CB-CE2 3.57Å |
| 272 | L | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -73.5 | -39.1 | 174.5 | -72.6 | 170.2 | 0 | 0 | 0 | 113.1 | V31 L48 F106 V109 R157 I159 L268 E269 H270 | V31-L272 HydrophobicContact CG1-CD1 4Å; V31-L272 HydrophobicContact CG1-CD2 4.22Å; V31-L272 HydrophobicContact CG2-CD1 4.47Å; L48-L272 HydrophobicContact CD1-CD1 3.53Å; L48-L272 HydrophobicContact CD2-CD1 4.11Å; L48-L272 HydrophobicContact CG-CD1 4.44Å; F106-L272 WeakPolarHBondContact CZ-O 3.43Å; V109-L272 HydrophobicContact CG2-CD1 4.15Å; V109-L272 HydrophobicContact CG2-CD2 4.2Å; V109-L272 HydrophobicContact CG2-CG 4.45Å; R157-L272 WeakPolarHBondContact CD-O 3.37Å; R157-L272 PolarHBondContact NE-O 3.35Å; R157-L272 PolarHBondContact NH1-O 2.9Å; I159-L272 HydrophobicContact CD1-CB 4.33Å; I159-L272 HydrophobicContact CD1-CD1 4.42Å; I159-L272 HydrophobicContact CD1-CD2 3.47Å; I159-L272 VanDerWaalsContact CD1-CD2 3.47Å; I159-L272 HydrophobicContact CD1-CG 3.39Å; L268-L272 WeakPolarHBondContact O-CG 3.29Å; L268-L272 PolarHBondContact O-N 3.21Å; E269-L272 WeakPolarHBondContact O-CB 3.43Å; E269-L272 PolarHBondContact O-N 3.44Å; E269-L272 VanDerWaalsContact O-N 3.14Å; H270-L272 VanDerWaalsContact C-N 3.25Å; H270-L272 PolarHBondContact O-N 3.07Å |
| 273 | T | 95.8 | Very high | 96.8 | Very high | 20 Ų | 20 | 37 Ų | 37 | 12% | 0.123 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -106.5 | -20.9 | -164.8 | 59.3 | 0 | 0 | 0 | 0 | 114.1 | S23 L24 F53 E269 H270 R275 | S23-T273 CarbonylContact C-O 3.55Å; S23-T273 WeakPolarHBondContact CA-O 3.41Å; L24-T273 WeakPolarHBondContact CB-O 3.35Å; L24-T273 WeakPolarHBondContact CG-O 3.44Å; L24-T273 PolarHBondContact N-O 3.16Å; F53-T273 HydrophobicContact CE2-CG2 4.14Å; F53-T273 HydrophobicContact CZ-CG2 3.76Å; E269-T273 HydrophobicContact CG-CG2 4.14Å; E269-T273 WeakPolarHBondContact O-CB 3.34Å; E269-T273 WeakPolarHBondContact O-CG2 3.31Å; E269-T273 PolarHBondContact O-N 3.43Å; E269-T273 PolarHBondContact O-OG1 2.9Å; H270-T273 PolarHBondContact O-N 3Å; T273-R275 PolarHBondContact O-N 3.42Å |
| 274 | A | 96.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -63.2 | 136.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q22 R157 H270 H276 P277 | Q22-A274 CarbonylContact O-C 3.58Å; Q22-A274 WeakPolarHBondContact O-CA 3.47Å; R157-A274 PolarHBondContact NH1-O 3.43Å; R157-A274 PolarHBondContact NH2-O 2.94Å; H270-A274 VanDerWaalsContact CE1-CB 3.44Å; H270-A274 WeakPolarHBondContact CE1-CB 3.21Å; H270-A274 WeakPolarHBondContact O-CB 3.33Å; H270-A274 PolarHBondContact O-N 3.39Å; A274-H276 PolarHBondContact O-N 2.99Å; A274-P277 HydrophobicContact CB-CB 4.48Å; A274-P277 WeakPolarHBondContact O-CD 3.46Å |
| 275 | R | 94.7 | Very high | 96.6 | Very high | 146 Ų | 146 | 39.8 Ų | 39.8 | 55% | 0.551 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -60.7 | -33.1 | 174.1 | -169.2 | -178.8 | -172.9 | 175.2 | 3.6 | 111.7 | Q22 L24 T273 | Q22-R275 HydrophobicContact CB-CB 3.94Å; Q22-R275 PolarHBondContact O-N 3.22Å; L24-R275 HydrophobicContact CD2-CG 4.5Å; T273-R275 PolarHBondContact O-N 3.42Å |
| 276 | H | 94.3 | Very high | 96.4 | Very high | 62 Ų | 62 | 39.8 Ų | 39.8 | 29% | 0.287 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -126.7 | 77.2 | 176.9 | -59.5 | -63.1 | 0 | 0 | 0 | 109.8 | R19 A274 | R19-H276 HydrophobicContact CG-CB 4.15Å; A274-H276 PolarHBondContact O-N 2.99Å |
| 277 | P | 96.3 | Very high | 96.3 | Very high | 24 Ų | 24 | 34.2 Ų | 34.2 | 16% | 0.156 | 16% | 0.157 | C | C | . | . | trans | -62.7 | 141.7 | -177.7 | 28.8 | -34.3 | 0 | 0 | 0 | 110.5 | R199 A274 | R199-P277 HydrophobicContact CB-CG 3.95Å; R199-P277 HydrophobicContact CG-CG 4.03Å; A274-P277 HydrophobicContact CB-CB 4.48Å; A274-P277 WeakPolarHBondContact O-CD 3.46Å | ||
| 278 | R | 96.8 | Very high | 96.1 | Very high | 88 Ų | 88 | 39.4 Ų | 39.4 | 33% | 0.332 | 18% | 0.177 | S | C | . | . | trans | -67.4 | 152.5 | 171.6 | -51.4 | 176.2 | -174.9 | 170.4 | -3.5 | 109.7 | D20 S201 R280 Y281 | D20-R278 VanDerWaalsContact CG-NH2 3.26Å; D20-R278 IonicContact OD1-CZ 3.8Å; D20-R278 IonicContact OD1-NE 2.73Å; D20-R278 PolarHBondContact OD1-NE 3.39Å; D20-R278 IonicContact OD1-NH2 3.87Å; D20-R278 PolarHBondContact OD1-NH2 3.3Å; D20-R278 IonicContact OD2-CZ 3.44Å; D20-R278 IonicContact OD2-NE 3.5Å; D20-R278 IonicContact OD2-NH2 3.4Å; D20-R278 PolarHBondContact OD2-NH2 3.39Å; S201-R278 PolarHBondContact OG-O 3.34Å; S201-R278 VanDerWaalsContact OG-O 3.07Å; R278-R280 VanDerWaalsContact C-N 3.33Å; R278-Y281 HydrophobicContact CB-CD2 4.38Å; R278-Y281 HydrophobicContact CB-CE1 4.07Å; R278-Y281 HydrophobicContact CB-CE2 3.79Å; R278-Y281 HydrophobicContact CG-CE1 4Å; R278-Y281 PolarHBondContact N-OH 3.49Å; R278-Y281 VanDerWaalsContact O-CE2 3.27Å; R278-Y281 WeakPolarHBondContact O-CE2 3.37Å | ||
| 279 | T | 96.8 | Very high | 95.9 | Very high | 70 Ų | 70 | 45.7 Ų | 45.7 | 43% | 0.429 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -72.8 | -30.1 | 173.4 | 51.1 | 0 | 0 | 0 | 0 | 112.2 | I202 | I202-T279 PolarHBondContact N-O 3.23Š|
| 280 | R | 97.9 | Very high | 95.8 | Very high | 63 Ų | 63 | 49 Ų | 49 | 24% | 0.238 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 139.4 | -178.6 | -72 | -178.4 | 163 | 82.2 | 3.1 | 111.8 | E183 D187 I202 E204 R278 | E183-R280 IonicContact OE2-CZ 3.65Å; E183-R280 IonicContact OE2-NE 3.67Å; E183-R280 IonicContact OE2-NH2 2.99Å; E183-R280 PolarHBondContact OE2-NH2 3.02Å; D187-R280 IonicContact OD1-NH1 3.36Å; D187-R280 PolarHBondContact OD1-NH1 3.04Å; D187-R280 IonicContact OD1-NH2 3Å; D187-R280 IonicContact OD2-CZ 2.7Å; D187-R280 IonicContact OD2-NH1 3.4Å; D187-R280 PolarHBondContact OD2-NH1 3.17Å; D187-R280 IonicContact OD2-NH2 3.28Å; D187-R280 PolarHBondContact OD2-NH2 3.49Å; I202-R280 HydrophobicContact CB-CG 4.23Å; I202-R280 CarbonylContact O-C 3.57Å; I202-R280 WeakPolarHBondContact O-CA 3.5Å; E204-R280 WeakPolarHBondContact OE1-CD 3.26Å; E204-R280 IonicContact OE1-NE 3.07Å; E204-R280 PolarHBondContact OE1-NE 2.96Å; R278-R280 VanDerWaalsContact C-N 3.33Å |
| 281 | Y | 98.3 | Very high | 95.7 | Very high | 5 Ų | 5 | 48 Ų | 48 | 2% | 0.02 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 129.1 | 172.9 | -62.2 | -98.4 | 0 | 0 | 0 | 108.6 | I202 V203 E204 C267 H270 A271 R278 P283 | I202-Y281 PolarHBondContact O-N 3.4Å; V203-Y281 CarbonylContact C-O 3.52Å; V203-Y281 WeakPolarHBondContact CA-O 3.43Å; V203-Y281 HydrophobicContact CG2-CD2 4.25Å; V203-Y281 HydrophobicContact CG2-CG 4.47Å; E204-Y281 PolarHBondContact N-O 2.83Å; C267-Y281 HydrophobicContact CB-CD1 4.06Å; C267-Y281 HydrophobicContact CB-CG 4.23Å; H270-Y281 HydrophobicContact CB-CE1 4.26Å; H270-Y281 AromaticContact ND1-CE1 3.25Å; H270-Y281 VanDerWaalsContact ND1-CE1 3.25Å; H270-Y281 WeakPolarHBondContact ND1-CE1 3.24Å; H270-Y281 AromaticContact ND1-CZ 3.48Å; H270-Y281 PolarHBondContact ND1-OH 3.38Å; A271-Y281 WeakPolarHBondContact CA-OH 3.35Å; A271-Y281 HydrophobicContact CB-CD2 4.21Å; A271-Y281 HydrophobicContact CB-CE2 3.57Å; R278-Y281 HydrophobicContact CB-CD2 4.38Å; R278-Y281 HydrophobicContact CB-CE1 4.07Å; R278-Y281 HydrophobicContact CB-CE2 3.79Å; R278-Y281 HydrophobicContact CG-CE1 4Å; R278-Y281 PolarHBondContact N-OH 3.49Å; R278-Y281 VanDerWaalsContact O-CE2 3.27Å; R278-Y281 WeakPolarHBondContact O-CE2 3.37Å; Y281-P283 VanDerWaalsContact C-CD 3.49Å; Y281-P283 VanDerWaalsContact O-CD 3.26Å; Y281-P283 WeakPolarHBondContact O-CD 3.45Å |
| 282 | S | 97.1 | Very high | 95.6 | Very high | 24 Ų | 24 | 49.3 Ų | 49.3 | 17% | 0.168 | 23% | 0.229 | C | C | . | . | trans | -123.4 | 77.6 | -176.8 | -38.6 | 0 | 0 | 0 | 0 | 109.2 | E204 K288 L292 | E204-S282 WeakPolarHBondContact O-CA 3.43Å; E204-S282 PolarHBondContact OE2-OG 3.2Å; S282-K288 WeakPolarHBondContact O-CE 3.28Å; S282-L292 WeakPolarHBondContact OG-CD1 3.33Å | ||
| 283 | P | 96.5 | Very high | 95.6 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.019 | 25% | 0.248 | C | C | . | . | trans | -69.3 | 141 | 178.6 | 27.1 | -31 | 0 | 0 | 0 | 110.7 | V203 P205 G206 F208 K263 V264 C267 Y281 | V203-P283 HydrophobicContact CG1-CG 3.83Å; P205-P283 HydrophobicContact CB-CG 4.2Å; P205-P283 HydrophobicContact CG-CG 4.25Å; G206-P283 PolarHBondContact N-O 3.44Å; F208-P283 WeakPolarHBondContact CE2-O 3.43Å; F208-P283 HydrophobicContact CZ-CB 4.27Å; K263-P283 HydrophobicContact CB-CB 4.34Å; K263-P283 WeakPolarHBondContact O-CB 3.45Å; V264-P283 HydrophobicContact CB-CG 4.27Å; V264-P283 HydrophobicContact CG1-CG 4.32Å; V264-P283 HydrophobicContact CG2-CB 3.96Å; V264-P283 HydrophobicContact CG2-CG 3.78Å; C267-P283 HydrophobicContact CB-CG 4.49Å; Y281-P283 VanDerWaalsContact C-CD 3.49Å; Y281-P283 VanDerWaalsContact O-CD 3.26Å; Y281-P283 WeakPolarHBondContact O-CD 3.45Å | ||
| 284 | G | 95.3 | Very high | 95.5 | Very high | 7 Ų | 7 | 52.2 Ų | 52.2 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 113.4 | 144.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K288 | G284-K288 WeakPolarHBondContact O-CG 3.19Š|
| 285 | W | 94 | Very high | 95.5 | Very high | 125 Ų | 125 | 53.6 Ų | 53.6 | 47% | 0.473 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -73.1 | -38.7 | 174.8 | 68.6 | -90.1 | 0 | 0 | 0 | 110.3 | A287 K288 L289 | W285-A287 VanDerWaalsContact C-N 3.34Å; W285-K288 PolarHBondContact O-N 2.94Å; W285-L289 VanDerWaalsContact O-CB 3.31Å; W285-L289 WeakPolarHBondContact O-CB 3.5Å; W285-L289 WeakPolarHBondContact O-CG 3.48Å; W285-L289 PolarHBondContact O-N 2.85Å |
| 286 | D | 93.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 177.5 | 65.7 | -42 | 0 | 0 | 0 | 110.8 | G206 F207 K288 L290 W291 | G206-D286 VanDerWaalsContact CA-OD2 3.25Å; G206-D286 WeakPolarHBondContact CA-OD2 3.49Å; F207-D286 WeakPolarHBondContact CD2-OD2 3.35Å; F207-D286 PolarHBondContact N-OD2 3.02Å; D286-K288 VanDerWaalsContact C-N 3.35Å; D286-K288 PolarHBondContact O-N 3.41Å; D286-L290 WeakPolarHBondContact O-CA 3.27Å; D286-L290 VanDerWaalsContact O-CB 3.28Å; D286-L290 WeakPolarHBondContact O-CB 3.32Å; D286-L290 PolarHBondContact O-N 3.45Å; D286-W291 PolarHBondContact O-N 2.83Å; D286-W291 PolarHBondContact OD2-NE1 2.87Å |
| 287 | A | 94.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -56 | -49.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V164 W285 L292 | V164-A287 HydrophobicContact CG1-CB 3.36Å; W285-A287 VanDerWaalsContact C-N 3.34Å; A287-L292 WeakPolarHBondContact O-CB 3.46Å; A287-L292 WeakPolarHBondContact O-CD1 3.31Å; A287-L292 WeakPolarHBondContact O-CG 3.39Å; A287-L292 PolarHBondContact O-N 3.1Å |
| 288 | K | 94.1 | Very high | 95.7 | Very high | 133 Ų | 133 | 58.9 Ų | 58.9 | 58% | 0.578 | 29% | 0.291 | S | S | * | . | I | π-helix | trans | -77.8 | -37 | -173.6 | -65.9 | 176.3 | -174.7 | 176.7 | 0 | 113.8 | S282 G284 W285 D286 P293 | S282-K288 WeakPolarHBondContact O-CE 3.28Å; G284-K288 WeakPolarHBondContact O-CG 3.19Å; W285-K288 PolarHBondContact O-N 2.94Å; D286-K288 VanDerWaalsContact C-N 3.35Å; D286-K288 PolarHBondContact O-N 3.41Å; K288-P293 WeakPolarHBondContact O-CD 3.27Å; K288-P293 WeakPolarHBondContact O-CG 3.41Å |
| 289 | L | 94.6 | Very high | 95.6 | Very high | 132 Ų | 132 | 57.9 Ų | 57.9 | 69% | 0.691 | 30% | 0.301 | S | S | * | . | I | π-helix | trans | -105.3 | -18.4 | -169.3 | -59.1 | 179.8 | 0 | 0 | 0 | 113.7 | W285 | W285-L289 VanDerWaalsContact O-CB 3.31Å; W285-L289 WeakPolarHBondContact O-CB 3.5Å; W285-L289 WeakPolarHBondContact O-CG 3.48Å; W285-L289 PolarHBondContact O-N 2.85Å |
| 290 | L | 93.9 | Very high | 95.5 | Very high | 78 Ų | 78 | 58.6 Ų | 58.6 | 41% | 0.408 | 31% | 0.309 | S | S | . | . | I | π-helix | trans | -118.2 | -67.5 | -177.6 | -179.1 | 67.5 | 0 | 0 | 0 | 111.6 | D286 A294 | D286-L290 WeakPolarHBondContact O-CA 3.27Å; D286-L290 VanDerWaalsContact O-CB 3.28Å; D286-L290 WeakPolarHBondContact O-CB 3.32Å; D286-L290 PolarHBondContact O-N 3.45Å; L290-A294 WeakPolarHBondContact O-CB 3.37Å; L290-A294 PolarHBondContact O-N 3.24Å |
| 291 | W | 95.1 | Very high | 95.4 | Very high | 27 Ų | 27 | 60.3 Ų | 60.3 | 10% | 0.102 | 32% | 0.323 | C | S | . | . | I | π-helix | trans | -72.9 | -43.4 | -166.1 | -63 | 111.4 | 0 | 0 | 0 | 113.8 | V164 L168 A170 F207 I256 D286 A294 S295 | V164-W291 HydrophobicContact CB-CB 3.7Å; V164-W291 HydrophobicContact CB-CG 4.01Å; V164-W291 HydrophobicContact CG1-CB 4.09Å; V164-W291 HydrophobicContact CG2-CB 4.09Å; V164-W291 HydrophobicContact CG2-CD2 4.42Å; V164-W291 HydrophobicContact CG2-CG 3.81Å; L168-W291 HydrophobicContact CD2-CE3 4.1Å; L168-W291 HydrophobicContact CD2-CZ3 4.44Å; A170-W291 HydrophobicContact CB-CE3 4.44Å; A170-W291 HydrophobicContact CB-CH2 3.83Å; A170-W291 HydrophobicContact CB-CZ3 3.46Å; A170-W291 VanDerWaalsContact CB-CZ3 3.46Å; F207-W291 HydrophobicContact CD2-CZ2 4.32Å; F207-W291 AromaticContact CD2-NE1 3.59Å; F207-W291 AromaticContact CE2-CE2 3.57Å; F207-W291 HydrophobicContact CE2-CH2 4.49Å; F207-W291 AromaticContact CE2-CZ2 3.52Å; F207-W291 HydrophobicContact CE2-CZ2 3.52Å; F207-W291 AromaticContact CE2-NE1 3.48Å; F207-W291 HydrophobicContact CZ-CZ2 4.16Å; I256-W291 HydrophobicContact CD1-CZ2 4.32Å; D286-W291 PolarHBondContact O-N 2.83Å; D286-W291 PolarHBondContact OD2-NE1 2.87Å; W291-A294 PolarHBondContact O-N 3.35Å; W291-S295 PolarHBondContact O-N 3.48Å |
| 292 | L | 95.5 | Very high | 95.2 | Very high | 28 Ų | 28 | 60.7 Ų | 60.7 | 15% | 0.147 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.5 | -49.3 | 177.2 | -73.2 | 172 | 0 | 0 | 0 | 112.1 | R167 S282 A287 A294 S295 Y296 | R167-L292 HydrophobicContact CB-CD2 4.2Å; R167-L292 HydrophobicContact CG-CD2 3.82Å; S282-L292 WeakPolarHBondContact OG-CD1 3.33Å; A287-L292 WeakPolarHBondContact O-CB 3.46Å; A287-L292 WeakPolarHBondContact O-CD1 3.31Å; A287-L292 WeakPolarHBondContact O-CG 3.39Å; A287-L292 PolarHBondContact O-N 3.1Å; L292-A294 VanDerWaalsContact C-N 3.29Å; L292-A294 PolarHBondContact O-N 3.38Å; L292-S295 WeakPolarHBondContact O-CB 3.3Å; L292-S295 PolarHBondContact O-N 3.14Å; L292-S295 VanDerWaalsContact O-N 3.11Å; L292-S295 PolarHBondContact O-OG 3.34Å; L292-Y296 WeakPolarHBondContact O-CD2 3.45Å |
| 293 | P | 96.1 | Very high | 95.1 | Very high | 62 Ų | 62 | 63.9 Ų | 63.9 | 40% | 0.403 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -55.2 | -44.5 | 172.9 | -27.6 | 36.4 | 0 | 0 | 0 | 112.5 | K288 S295 Y296 | K288-P293 WeakPolarHBondContact O-CD 3.27Å; K288-P293 WeakPolarHBondContact O-CG 3.41Å; P293-S295 VanDerWaalsContact C-N 3.26Å; P293-S295 PolarHBondContact O-N 3.43Å; P293-Y296 PolarHBondContact O-N 2.92Å; P293-Y296 VanDerWaalsContact O-N 3.11Å |
| 294 | A | 95.3 | Very high | 94.9 | Very high | 18 Ų | 18 | 66.3 Ų | 66.3 | 15% | 0.149 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.6 | -34.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L168 L290 W291 L292 Y296 L297 V302 | L168-A294 HydrophobicContact CD2-CB 3.67Å; L290-A294 WeakPolarHBondContact O-CB 3.37Å; L290-A294 PolarHBondContact O-N 3.24Å; W291-A294 PolarHBondContact O-N 3.35Å; L292-A294 VanDerWaalsContact C-N 3.29Å; L292-A294 PolarHBondContact O-N 3.38Å; A294-Y296 PolarHBondContact O-N 3.41Å; A294-Y296 VanDerWaalsContact O-N 3.13Å; A294-L297 PolarHBondContact O-N 2.81Å; A294-L297 VanDerWaalsContact O-N 3.09Å; A294-V302 WeakPolarHBondContact O-CG2 3.39Å |
| 295 | S | 95.9 | Very high | 94.8 | Very high | 30 Ų | 30 | 70 Ų | 70 | 21% | 0.21 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.5 | -16.2 | 177.3 | 76.1 | 0 | 0 | 0 | 0 | 114.7 | R167 W291 L292 P293 | R167-S295 WeakPolarHBondContact O-CB 3.32Å; W291-S295 PolarHBondContact O-N 3.48Å; L292-S295 WeakPolarHBondContact O-CB 3.3Å; L292-S295 PolarHBondContact O-N 3.14Å; L292-S295 VanDerWaalsContact O-N 3.11Å; L292-S295 PolarHBondContact O-OG 3.34Å; P293-S295 VanDerWaalsContact C-N 3.26Å; P293-S295 PolarHBondContact O-N 3.43Å |
| 296 | Y | 96.4 | Very high | 94.6 | Very high | 171 Ų | 171 | 65.8 Ų | 65.8 | 67% | 0.671 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -5.2 | 176.4 | -64.2 | -77.1 | 0 | 0 | 0 | 113.5 | R167 L292 P293 A294 | R167-Y296 PolarHBondContact NH2-OH 3.31Å; L292-Y296 WeakPolarHBondContact O-CD2 3.45Å; P293-Y296 PolarHBondContact O-N 2.92Å; P293-Y296 VanDerWaalsContact O-N 3.11Å; A294-Y296 PolarHBondContact O-N 3.41Å; A294-Y296 VanDerWaalsContact O-N 3.13Å |
| 297 | L | 96 | Very high | 94.4 | Very high | 96 Ų | 96 | 70 Ų | 70 | 50% | 0.503 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -75.8 | 155.4 | 176.7 | -66.9 | 178.7 | 0 | 0 | 0 | 110.9 | A294 A299 V302 | A294-L297 PolarHBondContact O-N 2.81Å; A294-L297 VanDerWaalsContact O-N 3.09Å; L297-A299 PolarHBondContact O-N 2.66Å; L297-V302 HydrophobicContact CB-CG2 3.76Å |
| 298 | P | 96.8 | Very high | 94.1 | Very high | 77 Ų | 77 | 80.4 Ų | 80.4 | 50% | 0.5 | 43% | 0.434 | S | S | . | . | trans | -51.4 | 133.1 | 169.8 | -26.3 | 32.9 | 0 | 0 | 0 | 111.9 | S300 L301 V302 | P298-S300 PolarHBondContact O-N 2.83Å; P298-S300 VanDerWaalsContact O-N 3.16Å; P298-L301 HydrophobicContact CB-CD1 4.44Å; P298-L301 HydrophobicContact CB-CG 4.41Å; P298-L301 HydrophobicContact CG-CD1 4.18Å; P298-L301 PolarHBondContact O-N 2.98Å; P298-V302 PolarHBondContact O-N 2.88Å | ||
| 299 | A | 94.3 | Very high | 93.7 | Very high | 66 Ų | 66 | 77.1 Ų | 77.1 | 55% | 0.545 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -53 | -40.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L297 L301 V302 D303 | L297-A299 PolarHBondContact O-N 2.66Å; A299-L301 VanDerWaalsContact C-N 3.26Å; A299-L301 PolarHBondContact O-N 3.13Å; A299-V302 PolarHBondContact O-N 3.48Å; A299-V302 VanDerWaalsContact O-N 3.14Å; A299-D303 VanDerWaalsContact O-CB 3.29Å; A299-D303 WeakPolarHBondContact O-CB 3.47Å; A299-D303 PolarHBondContact O-N 2.91Å |
| 300 | S | 95.5 | Very high | 93.3 | Very high | 86 Ų | 86 | 74.1 Ų | 74.1 | 60% | 0.601 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -57.8 | -34.6 | 178.5 | 60.2 | 0 | 0 | 0 | 0 | 114 | P298 A304 | P298-S300 PolarHBondContact O-N 2.83Å; P298-S300 VanDerWaalsContact O-N 3.16Å; S300-A304 VanDerWaalsContact O-CB 3.25Å; S300-A304 WeakPolarHBondContact O-CB 3.46Å; S300-A304 PolarHBondContact O-N 3.38Å; S300-A304 VanDerWaalsContact O-N 3.13Å |
| 301 | L | 95.1 | Very high | 93 | Very high | 99 Ų | 99 | 71.7 Ų | 71.7 | 52% | 0.518 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -74.8 | -44.1 | 177.6 | -66.6 | 179.5 | 0 | 0 | 0 | 111 | P298 A299 A304 V305 | P298-L301 HydrophobicContact CB-CD1 4.44Å; P298-L301 HydrophobicContact CB-CG 4.41Å; P298-L301 HydrophobicContact CG-CD1 4.18Å; P298-L301 PolarHBondContact O-N 2.98Å; A299-L301 VanDerWaalsContact C-N 3.26Å; A299-L301 PolarHBondContact O-N 3.13Å; L301-A304 PolarHBondContact O-N 2.88Å; L301-V305 WeakPolarHBondContact O-CG2 3.35Å; L301-V305 PolarHBondContact O-N 3.19Å; L301-V305 VanDerWaalsContact O-N 3.11Å |
| 302 | V | 94.8 | Very high | 92.6 | Very high | 12 Ų | 12 | 77.8 Ų | 77.8 | 7% | 0.073 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 179.8 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | L168 A294 L297 P298 A299 A304 V305 L306 | L168-V302 HydrophobicContact CD1-CG1 3.81Å; L168-V302 HydrophobicContact CD2-CG1 3.76Å; L168-V302 HydrophobicContact CG-CG1 4.35Å; A294-V302 WeakPolarHBondContact O-CG2 3.39Å; L297-V302 HydrophobicContact CB-CG2 3.76Å; P298-V302 PolarHBondContact O-N 2.88Å; A299-V302 PolarHBondContact O-N 3.48Å; A299-V302 VanDerWaalsContact O-N 3.14Å; V302-A304 PolarHBondContact O-N 3.41Å; V302-V305 PolarHBondContact O-N 3.16Å; V302-L306 HydrophobicContact CG1-CD1 3.85Å; V302-L306 HydrophobicContact CG1-CG 4.28Å; V302-L306 WeakPolarHBondContact O-CG 3.43Å; V302-L306 PolarHBondContact O-N 2.95Å |
| 303 | D | 93.8 | Very high | 92.3 | Very high | 91 Ų | 91 | 78.1 Ų | 78.1 | 49% | 0.487 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 177.4 | -67.3 | -16.1 | 0 | 0 | 0 | 110.9 | A299 V305 L306 T307 | A299-D303 VanDerWaalsContact O-CB 3.29Å; A299-D303 WeakPolarHBondContact O-CB 3.47Å; A299-D303 PolarHBondContact O-N 2.91Å; D303-V305 VanDerWaalsContact C-N 3.33Å; D303-V305 PolarHBondContact O-N 3.44Å; D303-L306 PolarHBondContact O-N 3.23Å; D303-T307 VanDerWaalsContact O-CB 3.3Å; D303-T307 WeakPolarHBondContact O-CB 3.08Å; D303-T307 VanDerWaalsContact O-CG2 3.25Å; D303-T307 WeakPolarHBondContact O-CG2 3.41Å; D303-T307 PolarHBondContact O-N 2.98Å; D303-T307 PolarHBondContact O-OG1 3.29Å |
| 304 | A | 92.9 | Very high | 91.7 | Very high | 54 Ų | 54 | 78.8 Ų | 78.8 | 45% | 0.446 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.5 | -43.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S300 L301 V302 T307 W308 | S300-A304 VanDerWaalsContact O-CB 3.25Å; S300-A304 WeakPolarHBondContact O-CB 3.46Å; S300-A304 PolarHBondContact O-N 3.38Å; S300-A304 VanDerWaalsContact O-N 3.13Å; L301-A304 PolarHBondContact O-N 2.88Å; V302-A304 PolarHBondContact O-N 3.41Å; A304-T307 PolarHBondContact O-OG1 2.96Å; A304-W308 WeakPolarHBondContact O-CB 3.42Å; A304-W308 PolarHBondContact O-N 3.41Å; A304-W308 VanDerWaalsContact O-N 3.08Å |
| 305 | V | 92.3 | Very high | 91.2 | Very high | 85 Ų | 85 | 83.6 Ų | 83.6 | 52% | 0.515 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.3 | -49.6 | 178.1 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | L301 V302 D303 W308 I309 | L301-V305 WeakPolarHBondContact O-CG2 3.35Å; L301-V305 PolarHBondContact O-N 3.19Å; L301-V305 VanDerWaalsContact O-N 3.11Å; V302-V305 PolarHBondContact O-N 3.16Å; D303-V305 VanDerWaalsContact C-N 3.33Å; D303-V305 PolarHBondContact O-N 3.44Å; V305-W308 PolarHBondContact O-N 3.45Å; V305-I309 HydrophobicContact CG1-CD1 3.99Å; V305-I309 WeakPolarHBondContact O-CD1 3.47Å; V305-I309 WeakPolarHBondContact O-CG1 3.49Å; V305-I309 PolarHBondContact O-N 3.43Å |
| 306 | L | 90.6 | Very high | 90.4 | Very high | 36 Ų | 36 | 84.3 Ų | 84.3 | 19% | 0.188 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -65.3 | -41.9 | -177.5 | -68.7 | 177.9 | 0 | 0 | 0 | 112.1 | A170 V302 D303 W308 I309 L310 | A170-L306 HydrophobicContact CB-CD1 4.04Å; A170-L306 HydrophobicContact CB-CD2 4.16Å; V302-L306 HydrophobicContact CG1-CD1 3.85Å; V302-L306 HydrophobicContact CG1-CG 4.28Å; V302-L306 WeakPolarHBondContact O-CG 3.43Å; V302-L306 PolarHBondContact O-N 2.95Å; D303-L306 PolarHBondContact O-N 3.23Å; L306-W308 VanDerWaalsContact C-N 3.33Å; L306-W308 PolarHBondContact O-N 3.05Å; L306-I309 PolarHBondContact O-N 3.29Å; L306-L310 WeakPolarHBondContact O-CG 3.34Å; L306-L310 PolarHBondContact O-N 3.46Å |
| 307 | T | 88.4 | Confident | 89.4 | Confident | 90 Ų | 90 | 82.8 Ų | 82.8 | 55% | 0.552 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -70.4 | -27.8 | 177.7 | 57.9 | 0 | 0 | 0 | 0 | 113.3 | D303 A304 | D303-T307 VanDerWaalsContact O-CB 3.3Å; D303-T307 WeakPolarHBondContact O-CB 3.08Å; D303-T307 VanDerWaalsContact O-CG2 3.25Å; D303-T307 WeakPolarHBondContact O-CG2 3.41Å; D303-T307 PolarHBondContact O-N 2.98Å; D303-T307 PolarHBondContact O-OG1 3.29Å; A304-T307 PolarHBondContact O-OG1 2.96Å |
| 308 | W | 88.4 | Confident | 87.3 | Confident | 218 Ų | 218 | 87.2 Ų | 87.2 | 83% | 0.826 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -70.5 | -32.9 | 174.5 | -177.4 | 62.5 | 0 | 0 | 0 | 112.7 | A304 V305 L306 | A304-W308 WeakPolarHBondContact O-CB 3.42Å; A304-W308 PolarHBondContact O-N 3.41Å; A304-W308 VanDerWaalsContact O-N 3.08Å; V305-W308 PolarHBondContact O-N 3.45Å; L306-W308 VanDerWaalsContact C-N 3.33Å; L306-W308 PolarHBondContact O-N 3.05Å |
| 309 | I | 87.1 | Confident | 86.9 | Confident | 63 Ų | 63 | 87.8 Ų | 87.8 | 32% | 0.323 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -74.6 | -36.1 | 179.4 | -65.9 | 163.6 | 0 | 0 | 0 | 111.5 | M248 I252 V305 L306 | M248-I309 WeakPolarHBondContact CE-O 3.45Å; M248-I309 HydrophobicContact CG-CG2 4.32Å; M248-I309 HydrophobicContact SD-CG2 4.06Å; I252-I309 HydrophobicContact CD1-CG2 3.88Å; V305-I309 HydrophobicContact CG1-CD1 3.99Å; V305-I309 WeakPolarHBondContact O-CD1 3.47Å; V305-I309 WeakPolarHBondContact O-CG1 3.49Å; V305-I309 PolarHBondContact O-N 3.43Å; L306-I309 PolarHBondContact O-N 3.29Å |
| 310 | L | 85.9 | Confident | 86.5 | Confident | 70 Ų | 70 | 88.9 Ų | 88.9 | 37% | 0.366 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -76.1 | 145.2 | -175.8 | -68.1 | 175.1 | 0 | 0 | 0 | 112.2 | Y245 L306 | Y245-L310 HydrophobicContact CE2-CD2 4.1Å; L306-L310 WeakPolarHBondContact O-CG 3.34Å; L306-L310 PolarHBondContact O-N 3.46Å |
| 311 | P | 87 | Confident | 86 | Confident | 27 Ų | 27 | 89.1 Ų | 89.1 | 18% | 0.175 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 146.8 | 174.5 | 28.6 | -34.7 | 0 | 0 | 0 | 110.7 | F241 K244 Y245 | F241-P311 HydrophobicContact CD2-CB 4.36Å; F241-P311 HydrophobicContact CD2-CG 4.45Å; F241-P311 HydrophobicContact CE2-CB 4.18Å; F241-P311 HydrophobicContact CE2-CG 4Å; F241-P311 VanDerWaalsContact CE2-O 3.25Å; F241-P311 WeakPolarHBondContact CE2-O 3.47Å; F241-P311 HydrophobicContact CZ-CG 4.16Å; K244-P311 HydrophobicContact CB-CB 4.06Å; K244-P311 HydrophobicContact CB-CG 4.47Å; Y245-P311 HydrophobicContact CD2-CG 3.84Å; Y245-P311 HydrophobicContact CG-CG 4.34Å |
| 312 | K | 87.4 | Confident | 85.4 | Confident | 154 Ų | 154 | 88.5 Ų | 88.5 | 67% | 0.67 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -90.3 | 143.1 | 175.2 | -64.3 | -170.8 | 178.7 | -171 | 0 | 111.6 | F241 A316 | F241-K312 WeakPolarHBondContact CD2-O 3.41Å; K312-A316 HydrophobicContact CB-CB 4.15Å |
| 313 | P | 87.7 | Confident | 84.9 | Confident | 36 Ų | 36 | 93.3 Ų | 93.3 | 23% | 0.234 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -56 | 154.7 | 169.3 | -25.2 | 34.7 | 0 | 0 | 0 | 112.5 | Y237 F241 Q315 A316 | Y237-P313 HydrophobicContact CD1-CB 4.15Å; Y237-P313 HydrophobicContact CD1-CG 3.95Å; Y237-P313 HydrophobicContact CE1-CG 3.95Å; F241-P313 HydrophobicContact CE2-CG 4.24Å; P313-Q315 VanDerWaalsContact C-N 3.25Å; P313-Q315 PolarHBondContact O-N 2.94Å; P313-A316 WeakPolarHBondContact O-CB 3.32Å; P313-A316 PolarHBondContact O-N 3.23Å |
| 314 | A | 83.3 | Confident | 84.3 | Confident | 76 Ų | 76 | 93.4 Ų | 93.4 | 63% | 0.628 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -34.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | H236 Y237 | H236-A314 PolarHBondContact O-N 3.16Å; Y237-A314 WeakPolarHBondContact O-CB 3.49Å; Y237-A314 PolarHBondContact O-N 2.93Å |
| 315 | Q | 84.8 | Confident | 83.6 | Confident | 119 Ų | 119 | 96.2 Ų | 96.2 | 56% | 0.556 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 34.9 | 177.5 | -62.1 | 179.5 | 9 | 0 | 0 | 112.4 | H236 P313 | H236-Q315 PolarHBondContact ND1-OE1 3.27Å; H236-Q315 PolarHBondContact O-N 2.99Å; P313-Q315 VanDerWaalsContact C-N 3.25Å; P313-Q315 PolarHBondContact O-N 2.94Å |
| 316 | A | 80.4 | Confident | 83 | Confident | 45 Ų | 45 | 97.1 Ų | 97.1 | 37% | 0.372 | 54% | 0.539 | S | S | . | . | trans | -65.1 | 135.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | K312 P313 | K312-A316 HydrophobicContact CB-CB 4.15Å; P313-A316 WeakPolarHBondContact O-CB 3.32Å; P313-A316 PolarHBondContact O-N 3.23Å | ||
| 317 | V | 75.1 | Confident | 82.3 | Confident | 139 Ų | 139 | 102.2 Ų | 102.2 | 84% | 0.842 | 57% | 0.568 | S | S | * | * | trans | -78.8 | 133.8 | 169.4 | -172.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 318 | C | 52.4 | Low | 81.8 | Confident | 189 Ų | 189 | 103.3 Ų | 103.3 | 100% | 1.277 | 57% | 0.57 | S | S | * | * | trans | -67.7 | 0 | 176.2 | -73.1 | 0 | 0 | 0 | 0 | 112.1 |
Retrieved 318 of 318 residues in 1119.2 ms
(Link to these results)