| 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 | 38.5 | Very low | 34.1 | Very low | 244 Ų | 244 | 130.5 Ų | 130.5 | 100% | 1.202 | 79% | 0.794 | S | S | * | * | 0 | 92.7 | 0 | -72.7 | 176.3 | 174.6 | 0 | 0 | 107.6 | |||||
| 2 | A | 35.9 | Very low | 34 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -90.5 | 107.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 3 | T | 31.7 | Very low | 34.1 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 135.4 | 168.8 | 35.6 | 0 | 0 | 0 | 0 | 109.1 | ||
| 4 | P | 34.8 | Very low | 34.3 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 81% | 0.805 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 129.7 | -172 | -1.1 | 17.6 | 0 | 0 | 0 | 110.7 | ||
| 5 | T | 32.2 | Very low | 34.7 | Very low | 131 Ų | 131 | 124.8 Ų | 124.8 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 130.8 | 172.9 | -19.6 | 0 | 0 | 0 | 0 | 109.3 | I7 | T5-I7 PolarHBondContact O-N 3.4Š|
| 6 | P | 33.3 | Very low | 35.1 | Very low | 117 Ų | 117 | 123 Ų | 123 | 76% | 0.76 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 126.2 | -172.7 | -10.5 | 26.1 | 0 | 0 | 0 | 111.9 | A8 | P6-A8 PolarHBondContact O-N 3.47Å; P6-A8 VanDerWaalsContact O-N 3.13Å |
| 7 | I | 29.7 | Very low | 35.8 | Very low | 181 Ų | 181 | 118.4 Ų | 118.4 | 93% | 0.928 | 68% | 0.684 | S | S | * | * | trans | -77.1 | 93.4 | 169.3 | -57 | 170.4 | 0 | 0 | 0 | 107.5 | T5 | T5-I7 PolarHBondContact O-N 3.4Š| ||
| 8 | A | 30.8 | Very low | 36.7 | Very low | 87 Ų | 87 | 118.8 Ų | 118.8 | 72% | 0.719 | 68% | 0.676 | S | S | * | * | trans | -153.3 | 98.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111 | P6 | P6-A8 PolarHBondContact O-N 3.47Å; P6-A8 VanDerWaalsContact O-N 3.13Å | ||
| 9 | S | 34.2 | Very low | 38.1 | Very low | 78 Ų | 78 | 118.5 Ų | 118.5 | 55% | 0.545 | 67% | 0.672 | S | S | . | * | trans | -164.2 | -8.1 | 154.4 | 61.4 | 0 | 0 | 0 | 0 | 117.1 | S11 | S9-S11 PolarHBondContact O-N 2.98Š| ||
| 10 | E | 34.7 | Very low | 39.7 | Very low | 158 Ų | 158 | 114 Ų | 114 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.4 | -35.5 | -178.8 | -72.6 | -169.4 | 150.2 | 0 | 0 | 113.2 | R12 H13 | E10-R12 PolarHBondContact O-N 3.03Å; E10-H13 PolarHBondContact O-N 3.37Å |
| 11 | S | 39.5 | Very low | 41.5 | Very low | 83 Ų | 83 | 108.7 Ų | 108.7 | 58% | 0.58 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.7 | -25.1 | -178.6 | 68.2 | 0 | 0 | 0 | 0 | 114.5 | S9 | S9-S11 PolarHBondContact O-N 2.98Å |
| 12 | R | 32.8 | Very low | 43.1 | Very low | 201 Ų | 201 | 100.2 Ų | 100.2 | 76% | 0.758 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -73.9 | -31.3 | 176.5 | -84.4 | -171.9 | 176.7 | -174.3 | -0.4 | 112.5 | E10 L16 | E10-R12 PolarHBondContact O-N 3.03Å; R12-L16 PolarHBondContact O-N 2.83Å |
| 13 | H | 35.7 | Very low | 45.3 | Very low | 90 Ų | 90 | 106.9 Ų | 106.9 | 42% | 0.417 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -78 | -31.6 | -175.6 | -86.3 | 80.4 | 0 | 0 | 0 | 113.9 | E10 N15 L16 I17 | E10-H13 PolarHBondContact O-N 3.37Å; H13-N15 PolarHBondContact O-N 3.22Å; H13-L16 PolarHBondContact O-N 3.36Å; H13-I17 PolarHBondContact O-N 3.03Å |
| 14 | G | 35.9 | Very low | 48 | Very low | 43 Ų | 43 | 101.3 Ų | 101.3 | 44% | 0.443 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.3 | -32 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 15 | N | 40.7 | Very low | 50.7 | Low | 102 Ų | 102 | 97.2 Ų | 97.2 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -77.8 | -34.9 | 176.1 | -78.6 | -14.8 | 0 | 0 | 0 | 112.8 | H13 I17 K18 D19 | H13-N15 PolarHBondContact O-N 3.22Å; N15-I17 VanDerWaalsContact C-N 3.25Å; N15-I17 PolarHBondContact O-N 3Å; N15-K18 WeakPolarHBondContact O-CB 3.21Å; N15-K18 PolarHBondContact O-N 3.36Å; N15-D19 PolarHBondContact O-N 3.48Å |
| 16 | L | 40.6 | Very low | 53.5 | Low | 96 Ų | 96 | 91 Ų | 91 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.5 | -35.6 | 176.5 | -78.5 | 164.6 | 0 | 0 | 0 | 112.9 | R12 H13 D19 A20 | R12-L16 PolarHBondContact O-N 2.83Å; H13-L16 PolarHBondContact O-N 3.36Å; L16-D19 PolarHBondContact O-N 3.41Å; L16-A20 PolarHBondContact O-N 3.15Å |
| 17 | I | 47.9 | Very low | 56 | Low | 44 Ų | 44 | 88.3 Ų | 88.3 | 23% | 0.226 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 176.3 | -63.9 | 176.2 | 0 | 0 | 0 | 111.3 | H13 N15 D19 | H13-I17 PolarHBondContact O-N 3.03Å; N15-I17 VanDerWaalsContact C-N 3.25Å; N15-I17 PolarHBondContact O-N 3Å; I17-D19 VanDerWaalsContact C-N 3.3Å |
| 18 | K | 52.1 | Low | 58.7 | Low | 126 Ų | 126 | 83.5 Ų | 83.5 | 55% | 0.548 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 175.1 | -77.8 | -170.7 | 173.9 | -174.2 | 0 | 110.5 | N15 A20 A22 | N15-K18 WeakPolarHBondContact O-CB 3.21Å; N15-K18 PolarHBondContact O-N 3.36Å; K18-A20 PolarHBondContact O-N 3.43Å; K18-A22 WeakPolarHBondContact O-CA 3.36Å; K18-A22 WeakPolarHBondContact O-CB 3.46Å; K18-A22 PolarHBondContact O-N 3.47Å |
| 19 | D | 63.4 | Low | 61.6 | Low | 113 Ų | 113 | 80.9 Ų | 80.9 | 60% | 0.604 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66.6 | -38.4 | -176 | -70.9 | -23.4 | 0 | 0 | 0 | 113.4 | N15 L16 I17 L21 A22 | N15-D19 PolarHBondContact O-N 3.48Å; L16-D19 PolarHBondContact O-N 3.41Å; I17-D19 VanDerWaalsContact C-N 3.3Å; D19-L21 VanDerWaalsContact C-N 3.3Å; D19-L21 PolarHBondContact O-N 2.81Å; D19-A22 PolarHBondContact O-N 3.1Å |
| 20 | A | 69.4 | Low | 64.2 | Low | 28 Ų | 28 | 81 Ų | 81 | 23% | 0.231 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.3 | -35.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L16 K18 K83 F88 | L16-A20 PolarHBondContact O-N 3.15Å; K18-A20 PolarHBondContact O-N 3.43Å; A20-K83 HydrophobicContact CB-CD 4.3Å; A20-K83 HydrophobicContact CB-CG 4.24Å; A20-F88 WeakPolarHBondContact O-CZ 3.35Å |
| 21 | L | 77.9 | Confident | 67 | Low | 3 Ų | 3 | 73.8 Ų | 73.8 | 2% | 0.016 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -105.5 | -10.4 | -178.4 | -67.5 | 167.6 | 0 | 0 | 0 | 113.1 | D19 R23 D24 F27 S64 A66 F88 V98 | D19-L21 VanDerWaalsContact C-N 3.3Å; D19-L21 PolarHBondContact O-N 2.81Å; L21-R23 PolarHBondContact O-N 3.17Å; L21-D24 HydrophobicContact CD2-CB 4.11Å; L21-D24 WeakPolarHBondContact O-CB 3.29Å; L21-D24 PolarHBondContact O-N 3.35Å; L21-F27 HydrophobicContact CB-CE2 3.78Å; L21-F27 HydrophobicContact CB-CZ 4.17Å; L21-F27 WeakPolarHBondContact O-CE2 3.45Å; L21-S64 WeakPolarHBondContact CD1-O 3.44Å; L21-S64 WeakPolarHBondContact CG-O 3.47Å; L21-A66 HydrophobicContact CD1-CB 3.78Å; L21-A66 HydrophobicContact CD2-CB 4.41Å; L21-F88 HydrophobicContact CD2-CE1 3.65Å; L21-F88 HydrophobicContact CD2-CZ 3.95Å; L21-V98 HydrophobicContact CD2-CG2 3.76Å |
| 22 | A | 72.9 | Confident | 69.5 | Low | 66 Ų | 66 | 70 Ų | 70 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | -28.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | K18 D19 | K18-A22 WeakPolarHBondContact O-CA 3.36Å; K18-A22 WeakPolarHBondContact O-CB 3.46Å; K18-A22 PolarHBondContact O-N 3.47Å; D19-A22 PolarHBondContact O-N 3.1Å |
| 23 | R | 80.3 | Confident | 72.2 | Confident | 245 Ų | 245 | 60.6 Ų | 60.6 | 93% | 0.925 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.1 | 4.7 | 179.6 | -57.8 | -176.3 | -173.3 | 179.9 | 1.9 | 113.7 | L21 | L21-R23 PolarHBondContact O-N 3.17Š|
| 24 | D | 89 | Confident | 74.8 | Confident | 12 Ų | 12 | 56.3 Ų | 56.3 | 6% | 0.064 | 30% | 0.299 | C | S | . | . | trans | -71.6 | 132.1 | 179.8 | -166.4 | -69.2 | 0 | 0 | 0 | 109.4 | L21 I26 F27 F88 T97 V98 | L21-D24 HydrophobicContact CD2-CB 4.11Å; L21-D24 WeakPolarHBondContact O-CB 3.29Å; L21-D24 PolarHBondContact O-N 3.35Å; D24-I26 HydrophobicContact CB-CG2 3.98Å; D24-I26 PolarHBondContact O-N 2.92Å; D24-I26 VanDerWaalsContact O-N 3.07Å; D24-I26 WeakPolarHBondContact OD1-CB 3.37Å; D24-I26 WeakPolarHBondContact OD1-CG2 3.49Å; D24-I26 PolarHBondContact OD1-N 3.4Å; D24-F27 WeakPolarHBondContact O-CD2 3.22Å; D24-F88 WeakPolarHBondContact OD2-CE2 3.48Å; D24-T97 WeakPolarHBondContact OD2-CA 3.44Å; D24-T97 WeakPolarHBondContact OD2-CB 3.4Å; D24-V98 PolarHBondContact OD2-N 3.36Å | ||
| 25 | P | 91.8 | Very high | 77.2 | Confident | 38 Ų | 38 | 55.7 Ų | 55.7 | 25% | 0.247 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -74.1 | 4.2 | -177.2 | 36.6 | -42.3 | 0 | 0 | 0 | 113.3 | F27 S28 T97 R99 | P25-F27 PolarHBondContact O-N 3.24Å; P25-S28 PolarHBondContact O-N 3.38Å; P25-S28 PolarHBondContact O-OG 2.74Å; P25-T97 HydrophobicContact CG-CG2 3.99Å; P25-R99 VanDerWaalsContact CB-CZ 3.46Å; P25-R99 HydrophobicContact CG-CB 4.09Å; P25-R99 PolarHBondContact O-NH2 2.8Å |
| 26 | I | 91.3 | Very high | 79.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -59.1 | -30.3 | 171.3 | -167.9 | 58.3 | 0 | 0 | 0 | 113.1 | D24 S28 E29 Y31 F32 V53 V98 | D24-I26 HydrophobicContact CB-CG2 3.98Å; D24-I26 PolarHBondContact O-N 2.92Å; D24-I26 VanDerWaalsContact O-N 3.07Å; D24-I26 WeakPolarHBondContact OD1-CB 3.37Å; D24-I26 WeakPolarHBondContact OD1-CG2 3.49Å; D24-I26 PolarHBondContact OD1-N 3.4Å; I26-S28 PolarHBondContact O-N 3.17Å; I26-E29 HydrophobicContact CD1-CB 4.14Å; I26-E29 HydrophobicContact CD1-CG 3.98Å; I26-E29 WeakPolarHBondContact O-CB 3.48Å; I26-E29 PolarHBondContact O-N 3.49Å; I26-Y31 HydrophobicContact CD1-CD2 4.42Å; I26-Y31 HydrophobicContact CD1-CE2 3.64Å; I26-F32 HydrophobicContact CG1-CB 4.29Å; I26-F32 HydrophobicContact CG1-CD2 3.79Å; I26-F32 HydrophobicContact CG1-CE2 4.47Å; I26-F32 HydrophobicContact CG1-CG 4.26Å; I26-F32 WeakPolarHBondContact O-CB 3.47Å; I26-V53 HydrophobicContact CD1-CB 4.17Å; I26-V53 HydrophobicContact CD1-CG1 4.23Å; I26-V53 HydrophobicContact CD1-CG2 4.12Å; I26-V53 HydrophobicContact CG1-CB 4.41Å; I26-V53 HydrophobicContact CG1-CG1 4.03Å; I26-V98 HydrophobicContact CB-CB 4.1Å; I26-V98 HydrophobicContact CB-CG1 4.23Å; I26-V98 HydrophobicContact CD1-CG1 3.89Å; I26-V98 HydrophobicContact CG1-CB 4.27Å; I26-V98 HydrophobicContact CG1-CG1 3.84Å; I26-V98 HydrophobicContact CG2-CB 4.47Å |
| 27 | F | 86.4 | Confident | 81.6 | Confident | 61 Ų | 61 | 47.7 Ų | 47.7 | 27% | 0.268 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -63.6 | -22.4 | -179.1 | -75.7 | -86.2 | 0 | 0 | 0 | 113.7 | L21 D24 P25 F32 | L21-F27 HydrophobicContact CB-CE2 3.78Å; L21-F27 HydrophobicContact CB-CZ 4.17Å; L21-F27 WeakPolarHBondContact O-CE2 3.45Å; D24-F27 WeakPolarHBondContact O-CD2 3.22Å; P25-F27 PolarHBondContact O-N 3.24Å; F27-F32 HydrophobicContact CD1-CD1 4.25Å; F27-F32 AromaticContact CD1-CE1 3.41Å; F27-F32 HydrophobicContact CD1-CE1 3.41Å; F27-F32 VanDerWaalsContact CD1-CE1 3.41Å; F27-F32 AromaticContact CD1-CZ 3.78Å; F27-F32 HydrophobicContact CD1-CZ 3.78Å; F27-F32 AromaticContact CE1-CE1 3.73Å; F27-F32 HydrophobicContact CE1-CE1 3.73Å; F27-F32 AromaticContact CE1-CZ 3.65Å; F27-F32 HydrophobicContact CE1-CZ 3.65Å; F27-F32 HydrophobicContact CG-CE1 4.18Å; F27-F32 HydrophobicContact CZ-CZ 4.28Å |
| 28 | S | 86 | Confident | 83.5 | Confident | 79 Ų | 79 | 51.8 Ų | 51.8 | 55% | 0.552 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -93.8 | -1.4 | 176.3 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | P25 I26 R99 | P25-S28 PolarHBondContact O-N 3.38Å; P25-S28 PolarHBondContact O-OG 2.74Å; I26-S28 PolarHBondContact O-N 3.17Å; S28-R99 PolarHBondContact OG-NH2 3.32Å |
| 29 | E | 91.3 | Very high | 85.2 | Confident | 32 Ų | 32 | 50 Ų | 50 | 15% | 0.15 | 25% | 0.25 | C | S | . | . | trans | -77.6 | 139.7 | -179.8 | -66.2 | -61.3 | 128.4 | 0 | 0 | 112.1 | I26 Y31 F32 R99 | I26-E29 HydrophobicContact CD1-CB 4.14Å; I26-E29 HydrophobicContact CD1-CG 3.98Å; I26-E29 WeakPolarHBondContact O-CB 3.48Å; I26-E29 PolarHBondContact O-N 3.49Å; E29-Y31 HydrophobicContact CB-CD1 4.11Å; E29-Y31 HydrophobicContact CB-CD2 4.26Å; E29-Y31 HydrophobicContact CB-CE1 3.75Å; E29-Y31 HydrophobicContact CB-CE2 3.91Å; E29-Y31 HydrophobicContact CB-CG 4.36Å; E29-Y31 HydrophobicContact CG-CE1 4Å; E29-Y31 HydrophobicContact CG-CE2 4.18Å; E29-Y31 WeakPolarHBondContact CG-OH 3.44Å; E29-Y31 PolarHBondContact O-N 3.24Å; E29-Y31 WeakPolarHBondContact OE2-CE1 3.43Å; E29-Y31 PolarHBondContact OE2-OH 3.42Å; E29-Y31 VanDerWaalsContact OE2-OH 3.13Å; E29-F32 HydrophobicContact CB-CB 4.39Å; E29-F32 PolarHBondContact O-N 3.41Å; E29-F32 VanDerWaalsContact O-N 3.13Å; E29-R99 IonicContact OE1-CZ 2.92Å; E29-R99 IonicContact OE1-NE 3.37Å; E29-R99 PolarHBondContact OE1-NE 3.31Å; E29-R99 IonicContact OE1-NH2 3.75Å; E29-R99 PolarHBondContact OE1-NH2 3.46Å | ||
| 30 | F | 89.4 | Confident | 86.3 | Confident | 80 Ų | 80 | 45.3 Ų | 45.3 | 35% | 0.351 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -20.4 | -178.9 | 65.7 | -100.3 | 0 | 0 | 0 | 113.5 | A123 H125 R126 | F30-A123 HydrophobicContact CE2-CB 3.75Å; F30-A123 HydrophobicContact CZ-CB 3.91Å; F30-H125 HydrophobicContact CD2-CB 4.44Å; F30-H125 AromaticContact CD2-CE1 3.61Å; F30-H125 AromaticContact CD2-CG 3.8Å; F30-H125 AromaticContact CD2-ND1 3.46Å; F30-H125 WeakPolarHBondContact CD2-ND1 3.37Å; F30-H125 AromaticContact CE2-CD2 3.92Å; F30-H125 AromaticContact CE2-CE1 3.69Å; F30-H125 AromaticContact CE2-ND1 3.94Å; F30-H125 AromaticContact CE2-NE2 3.69Å; F30-H125 AromaticContact CG-CE1 3.88Å; F30-H125 AromaticContact CG-ND1 3.82Å; F30-R126 WeakPolarHBondContact O-CB 3.44Å; F30-R126 VanDerWaalsContact O-CG 3.31Å; F30-R126 WeakPolarHBondContact O-CG 3.34Å; F30-R126 PolarHBondContact O-N 3.32Å; F30-R126 PolarHBondContact O-NE 3.19Å |
| 31 | Y | 92.6 | Very high | 87.4 | Confident | 7 Ų | 7 | 44 Ų | 44 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 7.8 | 178.4 | 56.1 | -96.9 | 0 | 0 | 0 | 113.2 | I26 E29 F51 V53 V102 A123 I124 | I26-Y31 HydrophobicContact CD1-CD2 4.42Å; I26-Y31 HydrophobicContact CD1-CE2 3.64Å; E29-Y31 HydrophobicContact CB-CD1 4.11Å; E29-Y31 HydrophobicContact CB-CD2 4.26Å; E29-Y31 HydrophobicContact CB-CE1 3.75Å; E29-Y31 HydrophobicContact CB-CE2 3.91Å; E29-Y31 HydrophobicContact CB-CG 4.36Å; E29-Y31 HydrophobicContact CG-CE1 4Å; E29-Y31 HydrophobicContact CG-CE2 4.18Å; E29-Y31 WeakPolarHBondContact CG-OH 3.44Å; E29-Y31 PolarHBondContact O-N 3.24Å; E29-Y31 WeakPolarHBondContact OE2-CE1 3.43Å; E29-Y31 PolarHBondContact OE2-OH 3.42Å; E29-Y31 VanDerWaalsContact OE2-OH 3.13Å; Y31-F51 HydrophobicContact CD2-CE2 4.26Å; Y31-V53 HydrophobicContact CD2-CB 4.42Å; Y31-V53 HydrophobicContact CD2-CG2 3.91Å; Y31-V53 HydrophobicContact CE2-CG2 3.98Å; Y31-V53 PolarHBondContact O-N 3.41Å; Y31-V102 HydrophobicContact CE2-CB 4.42Å; Y31-V102 HydrophobicContact CE2-CG1 3.88Å; Y31-V102 HydrophobicContact CE2-CG2 4.28Å; Y31-A123 HydrophobicContact CD1-CB 3.69Å; Y31-A123 HydrophobicContact CE1-CB 4.48Å; Y31-A123 HydrophobicContact CG-CB 3.9Å; Y31-I124 WeakPolarHBondContact CA-O 3.47Å; Y31-I124 WeakPolarHBondContact CB-O 3.46Å |
| 32 | F | 91.6 | Very high | 88.1 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -90.5 | 124.6 | 170.3 | 179 | -104.4 | 0 | 0 | 0 | 110.8 | I26 F27 E29 V53 Q55 R126 | I26-F32 HydrophobicContact CG1-CB 4.29Å; I26-F32 HydrophobicContact CG1-CD2 3.79Å; I26-F32 HydrophobicContact CG1-CE2 4.47Å; I26-F32 HydrophobicContact CG1-CG 4.26Å; I26-F32 WeakPolarHBondContact O-CB 3.47Å; F27-F32 HydrophobicContact CD1-CD1 4.25Å; F27-F32 AromaticContact CD1-CE1 3.41Å; F27-F32 HydrophobicContact CD1-CE1 3.41Å; F27-F32 VanDerWaalsContact CD1-CE1 3.41Å; F27-F32 AromaticContact CD1-CZ 3.78Å; F27-F32 HydrophobicContact CD1-CZ 3.78Å; F27-F32 AromaticContact CE1-CE1 3.73Å; F27-F32 HydrophobicContact CE1-CE1 3.73Å; F27-F32 AromaticContact CE1-CZ 3.65Å; F27-F32 HydrophobicContact CE1-CZ 3.65Å; F27-F32 HydrophobicContact CG-CE1 4.18Å; F27-F32 HydrophobicContact CZ-CZ 4.28Å; E29-F32 HydrophobicContact CB-CB 4.39Å; E29-F32 PolarHBondContact O-N 3.41Å; E29-F32 VanDerWaalsContact O-N 3.13Å; F32-V53 CarbonylContact C-O 3.56Å; F32-V53 WeakPolarHBondContact CA-O 3.31Å; F32-V53 HydrophobicContact CD2-CB 4.25Å; F32-V53 HydrophobicContact CD2-CG1 4.02Å; F32-Q55 HydrophobicContact CE2-CG 4.02Å; F32-Q55 HydrophobicContact CZ-CG 3.71Å; F32-R126 WeakPolarHBondContact O-CD 3.39Å; F32-R126 PolarHBondContact O-NE 3.13Å |
| 33 | Y | 90.8 | Very high | 88.8 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | trans | -112.7 | 7.6 | -171.1 | -87.5 | -100.4 | 0 | 0 | 0 | 114.5 | L35 L36 M44 L52 V53 I124 H125 R126 A127 V130 | Y33-L35 PolarHBondContact O-N 3.41Å; Y33-L36 HydrophobicContact CD1-CD2 3.54Å; Y33-L36 HydrophobicContact CE1-CD2 4.15Å; Y33-L36 HydrophobicContact CG-CD2 4.05Å; Y33-L36 PolarHBondContact O-N 2.76Å; Y33-M44 HydrophobicContact CE1-CE 3.45Å; Y33-M44 VanDerWaalsContact CE1-CE 3.45Å; Y33-M44 HydrophobicContact CE1-SD 4.12Å; Y33-M44 WeakPolarHBondContact OH-CE 3.46Å; Y33-L52 HydrophobicContact CD2-CB 3.79Å; Y33-L52 HydrophobicContact CD2-CD1 4.35Å; Y33-L52 HydrophobicContact CD2-CD2 4Å; Y33-L52 HydrophobicContact CD2-CG 4.27Å; Y33-L52 HydrophobicContact CE2-CB 3.98Å; Y33-L52 HydrophobicContact CE2-CD2 4.05Å; Y33-L52 HydrophobicContact CG-CD2 4.34Å; Y33-V53 PolarHBondContact N-O 3.36Å; Y33-I124 HydrophobicContact CE2-CD1 4.08Å; Y33-I124 HydrophobicContact CE2-CG1 4.01Å; Y33-I124 WeakPolarHBondContact OH-CD1 3.41Å; Y33-H125 PolarHBondContact OH-O 3.29Å; Y33-R126 HydrophobicContact CD1-CG 4.04Å; Y33-R126 HydrophobicContact CD2-CG 3.89Å; Y33-R126 HydrophobicContact CE1-CG 3.93Å; Y33-R126 HydrophobicContact CE2-CB 4.49Å; Y33-R126 HydrophobicContact CE2-CG 3.74Å; Y33-R126 HydrophobicContact CG-CG 4.08Å; Y33-R126 VanDerWaalsContact CZ-CA 3.47Å; Y33-R126 VanDerWaalsContact OH-CA 3.23Å; Y33-R126 WeakPolarHBondContact OH-CA 3.48Å; Y33-R126 PolarHBondContact OH-N 3.22Å; Y33-A127 PolarHBondContact OH-N 3.1Å; Y33-V130 HydrophobicContact CD1-CG1 4.35Å; Y33-V130 HydrophobicContact CD1-CG2 4.32Å; Y33-V130 HydrophobicContact CE1-CG2 4.11Å | ||
| 34 | G | 88.9 | Confident | 89.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | -134.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | L36 R54 Q55 L206 | G34-L36 PolarHBondContact O-N 3.45Å; G34-R54 CarbonylContact O-C 3.49Å; G34-R54 WeakPolarHBondContact O-CA 3.4Å; G34-R54 WeakPolarHBondContact O-CB 3.05Å; G34-Q55 PolarHBondContact O-N 3.3Å; G34-L206 CarbonylContact C-O 3.59Å; G34-L206 WeakPolarHBondContact CA-O 3.29Å |
| 35 | L | 86 | Confident | 89.5 | Confident | 31 Ų | 31 | 40 Ų | 40 | 16% | 0.162 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 18.2 | -174.6 | -63.1 | 168.6 | 0 | 0 | 0 | 114.8 | Y33 P37 Q55 F184 L206 I210 | Y33-L35 PolarHBondContact O-N 3.41Å; L35-P37 WeakPolarHBondContact O-CD 3.36Å; L35-Q55 HydrophobicContact CD2-CB 4.03Å; L35-F184 HydrophobicContact CB-CZ 4.49Å; L35-F184 VanDerWaalsContact O-CZ 3.32Å; L35-F184 WeakPolarHBondContact O-CZ 3.41Å; L35-L206 HydrophobicContact CB-CB 4.49Å; L35-L206 WeakPolarHBondContact CB-O 3.47Å; L35-L206 WeakPolarHBondContact CG-O 3.47Å; L35-L206 PolarHBondContact N-O 3.3Å; L35-I210 HydrophobicContact CD1-CG1 4.07Å |
| 36 | L | 87.5 | Confident | 89.6 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | trans | -54.9 | 122.7 | -178.7 | -171.6 | 69.7 | 0 | 0 | 0 | 111.5 | Y33 G34 D40 V41 M44 R54 L206 | Y33-L36 HydrophobicContact CD1-CD2 3.54Å; Y33-L36 HydrophobicContact CE1-CD2 4.15Å; Y33-L36 HydrophobicContact CG-CD2 4.05Å; Y33-L36 PolarHBondContact O-N 2.76Å; G34-L36 PolarHBondContact O-N 3.45Å; L36-D40 HydrophobicContact CD1-CB 3.72Å; L36-D40 HydrophobicContact CD2-CB 4.41Å; L36-D40 HydrophobicContact CG-CB 3.99Å; L36-V41 HydrophobicContact CB-CG2 4.49Å; L36-V41 HydrophobicContact CD2-CG2 3.66Å; L36-V41 HydrophobicContact CG-CG2 4.02Å; L36-M44 HydrophobicContact CD2-SD 3.78Å; L36-R54 WeakPolarHBondContact O-CD 3.4Å; L36-L206 HydrophobicContact CB-CD1 3.98Å; L36-L206 HydrophobicContact CD1-CD1 3.58Å; L36-L206 HydrophobicContact CG-CD1 4.4Å | ||
| 37 | P | 86.1 | Confident | 89.8 | Confident | 24 Ų | 24 | 49.3 Ų | 49.3 | 16% | 0.156 | 24% | 0.242 | C | C | . | . | trans | -62.2 | 149 | -179.4 | -24.9 | 34.1 | 0 | 0 | 0 | 112.9 | L35 E39 D40 V41 F184 | L35-P37 WeakPolarHBondContact O-CD 3.36Å; P37-E39 VanDerWaalsContact C-N 3.26Å; P37-E39 PolarHBondContact O-N 2.98Å; P37-D40 WeakPolarHBondContact CB-OD2 3.45Å; P37-D40 VanDerWaalsContact CD-OD2 3.28Å; P37-D40 WeakPolarHBondContact CD-OD2 3.49Å; P37-D40 WeakPolarHBondContact CG-OD2 3.37Å; P37-D40 PolarHBondContact O-N 3.48Å; P37-V41 PolarHBondContact O-N 3.5Å; P37-V41 VanDerWaalsContact O-N 3.16Å; P37-F184 HydrophobicContact CG-CB 4.37Å; P37-F184 HydrophobicContact CG-CD1 3.54Å; P37-F184 HydrophobicContact CG-CD2 3.73Å; P37-F184 HydrophobicContact CG-CE1 3.57Å; P37-F184 HydrophobicContact CG-CE2 3.72Å; P37-F184 HydrophobicContact CG-CG 3.63Å; P37-F184 HydrophobicContact CG-CZ 3.66Å | ||
| 38 | R | 89.8 | Confident | 90.3 | Very high | 130 Ų | 130 | 49.8 Ų | 49.8 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -48.7 | -47.2 | 176.4 | 178.6 | 178.1 | 174.8 | 170.2 | 4.2 | 112.8 | D40 V41 E42 H78 | R38-D40 VanDerWaalsContact C-N 3.27Å; R38-D40 PolarHBondContact O-N 3.18Å; R38-V41 WeakPolarHBondContact O-CB 3.01Å; R38-V41 PolarHBondContact O-N 3.44Å; R38-V41 VanDerWaalsContact O-N 3.15Å; R38-E42 HydrophobicContact CG-CG 4.42Å; R38-E42 IonicContact CZ-OE1 3.33Å; R38-E42 IonicContact NE-OE1 2.71Å; R38-E42 PolarHBondContact NE-OE1 3.45Å; R38-E42 IonicContact NH2-OE1 2.94Å; R38-E42 PolarHBondContact NH2-OE1 2.89Å; R38-E42 VanDerWaalsContact NH2-OE1 3.15Å; R38-E42 WeakPolarHBondContact O-CG 3.35Å; R38-E42 PolarHBondContact O-N 3.41Å; R38-H78 WeakPolarHBondContact CG-NE2 3.39Å; R38-H78 PolarHBondContact NE-CD2 2.89Å; R38-H78 VanDerWaalsContact NE-CD2 3.34Å; R38-H78 PolarHBondContact NE-NE2 3.47Å |
| 39 | E | 87.3 | Confident | 90.8 | Very high | 89 Ų | 89 | 46 Ų | 46 | 42% | 0.416 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.8 | -37.3 | -178.5 | -52.2 | 164.8 | -168.9 | 0 | 0 | 112 | P37 L43 K181 R188 | P37-E39 VanDerWaalsContact C-N 3.26Å; P37-E39 PolarHBondContact O-N 2.98Å; E39-L43 WeakPolarHBondContact O-CG 3.46Å; E39-L43 PolarHBondContact O-N 3.18Å; E39-K181 IonicContact OE1-NZ 3.59Å; E39-R188 IonicContact OE2-CZ 3.15Å; E39-R188 IonicContact OE2-NH1 2.74Å; E39-R188 PolarHBondContact OE2-NH1 3.09Å; E39-R188 IonicContact OE2-NH2 3.56Å; E39-R188 PolarHBondContact OE2-NH2 3.26Å |
| 40 | D | 86.7 | Confident | 91.1 | Very high | 15 Ų | 15 | 46.1 Ų | 46.1 | 8% | 0.08 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -74.2 | -39.1 | 177.8 | -63.8 | -66 | 0 | 0 | 0 | 111.1 | L36 P37 R38 E42 L43 M44 R188 | L36-D40 HydrophobicContact CD1-CB 3.72Å; L36-D40 HydrophobicContact CD2-CB 4.41Å; L36-D40 HydrophobicContact CG-CB 3.99Å; P37-D40 WeakPolarHBondContact CB-OD2 3.45Å; P37-D40 VanDerWaalsContact CD-OD2 3.28Å; P37-D40 WeakPolarHBondContact CD-OD2 3.49Å; P37-D40 WeakPolarHBondContact CG-OD2 3.37Å; P37-D40 PolarHBondContact O-N 3.48Å; R38-D40 VanDerWaalsContact C-N 3.27Å; R38-D40 PolarHBondContact O-N 3.18Å; D40-E42 VanDerWaalsContact C-N 3.29Å; D40-E42 PolarHBondContact O-N 2.96Å; D40-L43 PolarHBondContact O-N 3.36Å; D40-M44 VanDerWaalsContact O-CG 3.26Å; D40-M44 WeakPolarHBondContact O-CG 3.45Å; D40-M44 PolarHBondContact O-N 3.32Å; D40-R188 VanDerWaalsContact CG-NE 3.28Å; D40-R188 VanDerWaalsContact CG-NH2 3.33Å; D40-R188 IonicContact OD1-CZ 3.31Å; D40-R188 IonicContact OD1-NE 3.75Å; D40-R188 PolarHBondContact OD1-NE 2.87Å; D40-R188 IonicContact OD1-NH2 2.76Å; D40-R188 IonicContact OD2-CZ 2.85Å; D40-R188 VanDerWaalsContact OD2-CZ 3.25Å; D40-R188 IonicContact OD2-NE 3.7Å; D40-R188 PolarHBondContact OD2-NE 3.39Å; D40-R188 IonicContact OD2-NH2 3.81Å; D40-R188 PolarHBondContact OD2-NH2 3.49Å |
| 41 | V | 91.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.7 | -41.8 | 175.2 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | L36 P37 R38 L43 M44 L45 L52 S69 | L36-V41 HydrophobicContact CB-CG2 4.49Å; L36-V41 HydrophobicContact CD2-CG2 3.66Å; L36-V41 HydrophobicContact CG-CG2 4.02Å; P37-V41 PolarHBondContact O-N 3.5Å; P37-V41 VanDerWaalsContact O-N 3.16Å; R38-V41 WeakPolarHBondContact O-CB 3.01Å; R38-V41 PolarHBondContact O-N 3.44Å; R38-V41 VanDerWaalsContact O-N 3.15Å; V41-L43 PolarHBondContact O-N 3.45Å; V41-M44 PolarHBondContact O-N 2.89Å; V41-L45 HydrophobicContact CG1-CD1 3.69Å; V41-L45 HydrophobicContact CG1-CG 4.14Å; V41-L45 PolarHBondContact O-N 3.27Å; V41-L45 VanDerWaalsContact O-N 3.11Å; V41-L52 HydrophobicContact CB-CD2 4.45Å; V41-L52 HydrophobicContact CG1-CD1 4.08Å; V41-L52 HydrophobicContact CG1-CD2 3.84Å; V41-L52 HydrophobicContact CG1-CG 4.06Å; V41-L52 HydrophobicContact CG2-CD1 3.93Å; V41-L52 HydrophobicContact CG2-CD2 4.14Å; V41-S69 VanDerWaalsContact CG1-CB 3.45Å |
| 42 | E | 92.5 | Very high | 91.7 | Very high | 70 Ų | 70 | 42 Ų | 42 | 33% | 0.327 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.5 | -28.7 | 179.1 | -73.4 | 174.4 | 174.2 | 0 | 0 | 112.8 | R38 D40 V76 H78 | R38-E42 HydrophobicContact CG-CG 4.42Å; R38-E42 IonicContact CZ-OE1 3.33Å; R38-E42 IonicContact NE-OE1 2.71Å; R38-E42 PolarHBondContact NE-OE1 3.45Å; R38-E42 IonicContact NH2-OE1 2.94Å; R38-E42 PolarHBondContact NH2-OE1 2.89Å; R38-E42 VanDerWaalsContact NH2-OE1 3.15Å; R38-E42 WeakPolarHBondContact O-CG 3.35Å; R38-E42 PolarHBondContact O-N 3.41Å; D40-E42 VanDerWaalsContact C-N 3.29Å; D40-E42 PolarHBondContact O-N 2.96Å; E42-V76 HydrophobicContact CG-CB 4.04Å; E42-V76 HydrophobicContact CG-CG1 4.32Å; E42-V76 HydrophobicContact CG-CG2 4.31Å; E42-H78 IonicContact OE1-NE2 2.71Å; E42-H78 PolarHBondContact OE1-NE2 3.26Å |
| 43 | L | 88.5 | Confident | 91.9 | Very high | 131 Ų | 131 | 41.9 Ų | 41.9 | 69% | 0.686 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -82.3 | -16.2 | 174.5 | -63.8 | 173.2 | 0 | 0 | 0 | 113.4 | E39 D40 V41 | E39-L43 WeakPolarHBondContact O-CG 3.46Å; E39-L43 PolarHBondContact O-N 3.18Å; D40-L43 PolarHBondContact O-N 3.36Å; V41-L43 PolarHBondContact O-N 3.45Å |
| 44 | M | 90.3 | Very high | 92 | Very high | 42 Ų | 42 | 42.7 Ų | 42.7 | 21% | 0.207 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -97.6 | -31.2 | -174.5 | -72.3 | -176.1 | 66.9 | 0 | 0 | 113.7 | Y33 L36 D40 V41 L46 I124 | Y33-M44 HydrophobicContact CE1-CE 3.45Å; Y33-M44 VanDerWaalsContact CE1-CE 3.45Å; Y33-M44 HydrophobicContact CE1-SD 4.12Å; Y33-M44 WeakPolarHBondContact OH-CE 3.46Å; L36-M44 HydrophobicContact CD2-SD 3.78Å; D40-M44 VanDerWaalsContact O-CG 3.26Å; D40-M44 WeakPolarHBondContact O-CG 3.45Å; D40-M44 PolarHBondContact O-N 3.32Å; V41-M44 PolarHBondContact O-N 2.89Å; M44-L46 PolarHBondContact O-N 2.77Å; M44-I124 HydrophobicContact CB-CD1 4.21Å; M44-I124 HydrophobicContact CE-CD1 3.96Å |
| 45 | L | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -87.7 | 106.5 | 177.7 | -56.4 | 175.3 | 0 | 0 | 0 | 108.5 | V41 E50 L52 S69 R71 V76 I124 | V41-L45 HydrophobicContact CG1-CD1 3.69Å; V41-L45 HydrophobicContact CG1-CG 4.14Å; V41-L45 PolarHBondContact O-N 3.27Å; V41-L45 VanDerWaalsContact O-N 3.11Å; L45-E50 HydrophobicContact CD2-CB 3.96Å; L45-L52 HydrophobicContact CD2-CD2 4.23Å; L45-L52 HydrophobicContact CD2-CG 4.47Å; L45-S69 WeakPolarHBondContact CD1-O 3.39Å; L45-R71 HydrophobicContact CB-CB 3.84Å; L45-R71 VanDerWaalsContact O-CD 3.32Å; L45-R71 WeakPolarHBondContact O-CD 3.42Å; L45-R71 PolarHBondContact O-NH1 3.46Å; L45-V76 HydrophobicContact CB-CG2 4.37Å; L45-V76 HydrophobicContact CD1-CG1 3.82Å; L45-I124 HydrophobicContact CD2-CD1 3.79Å; L45-I124 HydrophobicContact CD2-CG1 4.05Å; L45-I124 HydrophobicContact CD2-CG2 3.96Å | ||
| 46 | L | 92.8 | Very high | 91.9 | Very high | 109 Ų | 109 | 43.7 Ų | 43.7 | 57% | 0.571 | 21% | 0.21 | S | C | * | . | trans | -104.7 | -30.5 | -171.2 | -59.3 | -178.5 | 0 | 0 | 0 | 112.6 | M44 E50 R71 | M44-L46 PolarHBondContact O-N 2.77Å; L46-E50 PolarHBondContact N-OE2 3.22Å; L46-R71 VanDerWaalsContact O-CD 3.23Å; L46-R71 WeakPolarHBondContact O-CD 3.43Å; L46-R71 PolarHBondContact O-NE 3.49Å | ||
| 47 | H | 96.1 | Very high | 91.2 | Very high | 124 Ų | 124 | 49 Ų | 49 | 57% | 0.574 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -119.4 | 148.4 | -175 | -56.9 | -61 | 0 | 0 | 0 | 113 | G49 E50 | H47-G49 PolarHBondContact O-N 3.5Å; H47-E50 HydrophobicContact CB-CG 3.99Å; H47-E50 IonicContact CD2-OE1 2.65Å; H47-E50 PolarHBondContact CD2-OE1 3.15Å; H47-E50 IonicContact CG-OE1 2.67Å; H47-E50 PolarHBondContact N-OE2 3.22Å; H47-E50 VanDerWaalsContact O-CB 3.25Å; H47-E50 WeakPolarHBondContact O-CB 3.47Å; H47-E50 WeakPolarHBondContact O-CG 3.29Å; H47-E50 PolarHBondContact O-N 2.88Å |
| 48 | D | 97 | Very high | 90.3 | Very high | 71 Ų | 71 | 54.4 Ų | 54.4 | 38% | 0.38 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 125.6 | -178.2 | -88 | 13.7 | 0 | 0 | 0 | 112.2 | E50 R71 W72 K73 | D48-E50 VanDerWaalsContact C-N 3.35Å; D48-R71 CarbonylContact C-O 3.46Å; D48-R71 WeakPolarHBondContact CA-O 3.43Å; D48-W72 HydrophobicContact CB-CE3 4.12Å; D48-W72 HydrophobicContact CB-CZ3 4.32Å; D48-K73 PolarHBondContact OD1-N 3.07Å; D48-K73 WeakPolarHBondContact OD2-CA 3.43Å; D48-K73 PolarHBondContact OD2-N 2.96Å |
| 49 | G | 96.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -1.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | H47 R71 L119 K121 T122 | H47-G49 PolarHBondContact O-N 3.5Å; G49-R71 PolarHBondContact N-O 3.06Å; G49-L119 VanDerWaalsContact CA-O 3.25Å; G49-L119 WeakPolarHBondContact CA-O 3.49Å; G49-K121 WeakPolarHBondContact O-CA 3.22Å; G49-K121 PolarHBondContact O-N 3.21Å; G49-T122 PolarHBondContact O-N 3.44Å |
| 50 | E | 97.8 | Very high | 87.9 | Confident | 34 Ų | 34 | 53.3 Ų | 53.3 | 16% | 0.159 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 134.5 | 164.1 | -72.8 | -176.7 | 157 | 0 | 0 | 109.9 | L45 L46 H47 D48 V70 R71 T122 I124 | L45-E50 HydrophobicContact CD2-CB 3.96Å; L46-E50 PolarHBondContact N-OE2 3.22Å; H47-E50 HydrophobicContact CB-CG 3.99Å; H47-E50 IonicContact CD2-OE1 2.65Å; H47-E50 PolarHBondContact CD2-OE1 3.15Å; H47-E50 IonicContact CG-OE1 2.67Å; H47-E50 PolarHBondContact N-OE2 3.22Å; H47-E50 VanDerWaalsContact O-CB 3.25Å; H47-E50 WeakPolarHBondContact O-CB 3.47Å; H47-E50 WeakPolarHBondContact O-CG 3.29Å; H47-E50 PolarHBondContact O-N 2.88Å; D48-E50 VanDerWaalsContact C-N 3.35Å; E50-V70 CarbonylContact O-C 3.57Å; E50-V70 VanDerWaalsContact O-CA 3.29Å; E50-V70 WeakPolarHBondContact O-CA 3.5Å; E50-V70 WeakPolarHBondContact O-CG2 3.31Å; E50-R71 PolarHBondContact O-N 3.29Å; E50-T122 CarbonylContact C-O 3.53Å; E50-T122 VanDerWaalsContact CA-O 3.28Å; E50-T122 WeakPolarHBondContact CA-O 3.49Å; E50-I124 HydrophobicContact CB-CG2 3.83Å; E50-I124 HydrophobicContact CG-CG2 4.05Å |
| 51 | F | 97.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 159.5 | -178.6 | 75.6 | -86.8 | 0 | 0 | 0 | 113.5 | Y31 S69 V70 V102 Q106 L120 T122 A123 I124 | Y31-F51 HydrophobicContact CD2-CE2 4.26Å; F51-S69 CarbonylContact C-O 3.44Å; F51-S69 WeakPolarHBondContact CA-O 3.43Å; F51-S69 WeakPolarHBondContact CB-O 3.32Å; F51-V70 HydrophobicContact CB-CB 3.89Å; F51-V70 HydrophobicContact CB-CG2 4.06Å; F51-V102 HydrophobicContact CE2-CG1 3.55Å; F51-V102 HydrophobicContact CZ-CG1 3.79Å; F51-Q106 HydrophobicContact CE1-CG 4.29Å; F51-Q106 HydrophobicContact CZ-CG 4.46Å; F51-L120 HydrophobicContact CB-CD2 3.78Å; F51-L120 HydrophobicContact CD1-CB 3.8Å; F51-L120 HydrophobicContact CD1-CD2 4.04Å; F51-L120 HydrophobicContact CD1-CG 4.4Å; F51-L120 HydrophobicContact CD2-CD1 4.36Å; F51-L120 HydrophobicContact CD2-CD2 4.14Å; F51-L120 HydrophobicContact CE1-CB 3.76Å; F51-L120 HydrophobicContact CE2-CD1 4.29Å; F51-L120 HydrophobicContact CG-CB 4.31Å; F51-L120 HydrophobicContact CG-CD2 3.73Å; F51-L120 HydrophobicContact CG-CG 4.42Å; F51-L120 HydrophobicContact CZ-CB 4.25Å; F51-L120 HydrophobicContact CZ-CD1 4.43Å; F51-T122 VanDerWaalsContact CD1-O 3.29Å; F51-T122 WeakPolarHBondContact CD1-O 3.48Å; F51-T122 VanDerWaalsContact CE1-C 3.5Å; F51-T122 PolarHBondContact N-O 2.94Å; F51-A123 HydrophobicContact CE1-CB 3.82Å; F51-A123 VanDerWaalsContact CE1-N 3.26Å; F51-A123 HydrophobicContact CE2-CB 3.99Å; F51-A123 HydrophobicContact CZ-CB 3.5Å; F51-A123 VanDerWaalsContact CZ-CB 3.5Å; F51-I124 PolarHBondContact O-N 2.82Å |
| 52 | L | 96.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 164.1 | 168.6 | 63.5 | 84.8 | 0 | 0 | 0 | 110.7 | Y33 V41 L45 R54 S69 I124 | Y33-L52 HydrophobicContact CD2-CB 3.79Å; Y33-L52 HydrophobicContact CD2-CD1 4.35Å; Y33-L52 HydrophobicContact CD2-CD2 4Å; Y33-L52 HydrophobicContact CD2-CG 4.27Å; Y33-L52 HydrophobicContact CE2-CB 3.98Å; Y33-L52 HydrophobicContact CE2-CD2 4.05Å; Y33-L52 HydrophobicContact CG-CD2 4.34Å; V41-L52 HydrophobicContact CB-CD2 4.45Å; V41-L52 HydrophobicContact CG1-CD1 4.08Å; V41-L52 HydrophobicContact CG1-CD2 3.84Å; V41-L52 HydrophobicContact CG1-CG 4.06Å; V41-L52 HydrophobicContact CG2-CD1 3.93Å; V41-L52 HydrophobicContact CG2-CD2 4.14Å; L45-L52 HydrophobicContact CD2-CD2 4.23Å; L45-L52 HydrophobicContact CD2-CG 4.47Å; L52-R54 HydrophobicContact CD1-CB 3.97Å; L52-R54 HydrophobicContact CD1-CG 4.13Å; L52-S69 PolarHBondContact N-O 3.49Å; L52-S69 PolarHBondContact O-N 2.96Å; L52-I124 HydrophobicContact CB-CD1 4.3Å; L52-I124 HydrophobicContact CB-CG1 3.86Å; L52-I124 HydrophobicContact CD2-CD1 3.53Å; L52-I124 HydrophobicContact CD2-CG1 4.05Å; L52-I124 HydrophobicContact CG-CD1 4.48Å |
| 53 | V | 95.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 136.7 | 170.5 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | I26 Y31 F32 Y33 A66 V67 I68 I81 V98 V102 | I26-V53 HydrophobicContact CD1-CB 4.17Å; I26-V53 HydrophobicContact CD1-CG1 4.23Å; I26-V53 HydrophobicContact CD1-CG2 4.12Å; I26-V53 HydrophobicContact CG1-CB 4.41Å; I26-V53 HydrophobicContact CG1-CG1 4.03Å; Y31-V53 HydrophobicContact CD2-CB 4.42Å; Y31-V53 HydrophobicContact CD2-CG2 3.91Å; Y31-V53 HydrophobicContact CE2-CG2 3.98Å; Y31-V53 PolarHBondContact O-N 3.41Å; F32-V53 CarbonylContact C-O 3.56Å; F32-V53 WeakPolarHBondContact CA-O 3.31Å; F32-V53 HydrophobicContact CD2-CB 4.25Å; F32-V53 HydrophobicContact CD2-CG1 4.02Å; Y33-V53 PolarHBondContact N-O 3.36Å; V53-A66 HydrophobicContact CG1-CB 4.37Å; V53-V67 WeakPolarHBondContact CA-O 3.36Å; V53-I68 HydrophobicContact CG2-CG1 4.21Å; V53-I81 HydrophobicContact CG1-CD1 4.44Å; V53-V98 HydrophobicContact CG1-CG1 4.39Å; V53-V102 HydrophobicContact CG2-CG2 4Å |
| 54 | R | 93 | Very high | 85.9 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 8% | 0.083 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 164.1 | 176 | 62.4 | 161.8 | 178.6 | 90.4 | 1.1 | 111.2 | G34 L36 L52 A66 V67 | G34-R54 CarbonylContact O-C 3.49Å; G34-R54 WeakPolarHBondContact O-CA 3.4Å; G34-R54 WeakPolarHBondContact O-CB 3.05Å; L36-R54 WeakPolarHBondContact O-CD 3.4Å; L52-R54 HydrophobicContact CD1-CB 3.97Å; L52-R54 HydrophobicContact CD1-CG 4.13Å; R54-A66 CarbonylContact O-C 3.45Å; R54-A66 WeakPolarHBondContact O-CA 3.33Å; R54-V67 HydrophobicContact CG-CB 4.26Å; R54-V67 PolarHBondContact N-O 3.15Å; R54-V67 PolarHBondContact O-N 3.07Å |
| 55 | Q | 89.2 | Confident | 85.8 | Confident | 35 Ų | 35 | 55.3 Ų | 55.3 | 16% | 0.164 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 155.4 | 170.7 | -68.6 | -178.2 | -25.9 | 0 | 0 | 111.7 | F32 G34 L35 G65 E207 | F32-Q55 HydrophobicContact CE2-CG 4.02Å; F32-Q55 HydrophobicContact CZ-CG 3.71Å; G34-Q55 PolarHBondContact O-N 3.3Å; L35-Q55 HydrophobicContact CD2-CB 4.03Å; Q55-G65 CarbonylContact C-O 3.57Å; Q55-G65 VanDerWaalsContact CA-O 3.24Å; Q55-G65 WeakPolarHBondContact CA-O 3.14Å; Q55-E207 PolarHBondContact OE1-O 2.95Å |
| 56 | T | 84.6 | Confident | 85.7 | Confident | 16 Ų | 16 | 55.3 Ų | 55.3 | 10% | 0.098 | 28% | 0.276 | C | S | . | . | trans | -139.3 | 142.2 | 173.3 | -170.3 | 0 | 0 | 0 | 0 | 109.9 | K58 G65 V67 | T56-K58 VanDerWaalsContact C-N 3.3Å; T56-K58 HydrophobicContact CG2-CB 4.25Å; T56-K58 PolarHBondContact OG1-N 3.35Å; T56-G65 PolarHBondContact N-O 3.12Å; T56-V67 HydrophobicContact CG2-CG2 3.44Å; T56-V67 VanDerWaalsContact CG2-CG2 3.44Å | ||
| 57 | K | 72.3 | Confident | 85.7 | Confident | 118 Ų | 118 | 50.2 Ų | 50.2 | 51% | 0.513 | 25% | 0.25 | S | C | . | . | trans | -92.6 | 13.6 | 169.3 | -63 | -176.1 | 179.3 | 177.1 | 0 | 112.2 | I59 | K57-I59 PolarHBondContact O-N 2.96Š| ||
| 58 | K | 67.4 | Low | 85.7 | Confident | 137 Ų | 137 | 44.3 Ų | 44.3 | 60% | 0.596 | 22% | 0.222 | S | C | * | . | trans | -64.7 | 122.4 | 173.1 | -83.6 | -169.9 | 173.3 | -174.5 | 0 | 108.3 | T56 V80 | T56-K58 VanDerWaalsContact C-N 3.3Å; T56-K58 HydrophobicContact CG2-CB 4.25Å; T56-K58 PolarHBondContact OG1-N 3.35Å; K58-V80 HydrophobicContact CD-CG2 4.49Å | ||
| 59 | I | 58.8 | Low | 85.8 | Confident | 129 Ų | 129 | 41 Ų | 41 | 66% | 0.662 | 20% | 0.204 | S | C | * | . | trans | -97 | 102.4 | 178.5 | -53.6 | 169.4 | 0 | 0 | 0 | 106.4 | K57 | K57-I59 PolarHBondContact O-N 2.96Š| ||
| 60 | C | 67.9 | Low | 85.8 | Confident | 67 Ų | 67 | 41 Ų | 41 | 45% | 0.453 | 20% | 0.204 | S | C | . | . | trans | -122.6 | 158.2 | 154.2 | 61.1 | 0 | 0 | 0 | 0 | 107.8 | E62 A63 | C60-E62 PolarHBondContact O-N 3.08Å; C60-A63 WeakPolarHBondContact O-CB 3.45Å; C60-A63 PolarHBondContact O-N 3.33Å; C60-A63 VanDerWaalsContact SG-CB 3.52Å | ||
| 61 | I | 68.7 | Low | 85.8 | Confident | 182 Ų | 182 | 42.1 Ų | 42.1 | 93% | 0.933 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -31.8 | -169.8 | -64.3 | 170.8 | 0 | 0 | 0 | 112 | ||
| 62 | E | 78.7 | Confident | 85.8 | Confident | 99 Ų | 99 | 43.8 Ų | 43.8 | 46% | 0.463 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 7 | -176.6 | -61.4 | 175.7 | 178.2 | 0 | 0 | 113.2 | C60 S64 L82 K83 | C60-E62 PolarHBondContact O-N 3.08Å; E62-S64 PolarHBondContact O-N 2.68Å; E62-L82 HydrophobicContact CB-CD2 4.19Å; E62-L82 CarbonylContact O-C 3.58Å; E62-L82 WeakPolarHBondContact O-CA 3.35Å; E62-K83 PolarHBondContact O-N 2.96Å |
| 63 | A | 83.7 | Confident | 85.8 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 14% | 0.14 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 123.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | C60 G65 V80 | C60-A63 WeakPolarHBondContact O-CB 3.45Å; C60-A63 PolarHBondContact O-N 3.33Å; C60-A63 VanDerWaalsContact SG-CB 3.52Å; A63-G65 PolarHBondContact O-N 3.12Å; A63-V80 HydrophobicContact CB-CG1 4.07Å |
| 64 | S | 85.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | -15.4 | 170.1 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | L21 E62 A66 I81 | L21-S64 WeakPolarHBondContact CD1-O 3.44Å; L21-S64 WeakPolarHBondContact CG-O 3.47Å; E62-S64 PolarHBondContact O-N 2.68Å; S64-A66 VanDerWaalsContact C-N 3.34Å; S64-A66 PolarHBondContact OG-N 3.13Å; S64-A66 VanDerWaalsContact OG-N 3.09Å; S64-I81 VanDerWaalsContact CB-O 3.22Å; S64-I81 WeakPolarHBondContact CB-O 3.43Å; S64-I81 PolarHBondContact N-O 3.24Å; S64-I81 WeakPolarHBondContact OG-CB 3.41Å; S64-I81 PolarHBondContact OG-O 3.47Å |
| 65 | G | 87.8 | Confident | 85.7 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 86.6 | -1.4 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q55 T56 A63 | Q55-G65 CarbonylContact C-O 3.57Å; Q55-G65 VanDerWaalsContact CA-O 3.24Å; Q55-G65 WeakPolarHBondContact CA-O 3.14Å; T56-G65 PolarHBondContact N-O 3.12Å; A63-G65 PolarHBondContact O-N 3.12Å |
| 66 | A | 91.5 | Very high | 86 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 152.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L21 V53 R54 S64 I81 | L21-A66 HydrophobicContact CD1-CB 3.78Å; L21-A66 HydrophobicContact CD2-CB 4.41Å; V53-A66 HydrophobicContact CG1-CB 4.37Å; R54-A66 CarbonylContact O-C 3.45Å; R54-A66 WeakPolarHBondContact O-CA 3.33Å; S64-A66 VanDerWaalsContact C-N 3.34Å; S64-A66 PolarHBondContact OG-N 3.13Å; S64-A66 VanDerWaalsContact OG-N 3.09Å; A66-I81 HydrophobicContact CB-CB 4.26Å; A66-I81 HydrophobicContact CB-CD1 3.76Å; A66-I81 HydrophobicContact CB-CG1 4.17Å; A66-I81 PolarHBondContact O-N 3Å |
| 67 | V | 94.5 | Very high | 86.5 | Confident | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 130 | 175.7 | 170.2 | 0 | 0 | 0 | 0 | 108.8 | V53 R54 T56 H78 I79 V80 | V53-V67 WeakPolarHBondContact CA-O 3.36Å; R54-V67 HydrophobicContact CG-CB 4.26Å; R54-V67 PolarHBondContact N-O 3.15Å; R54-V67 PolarHBondContact O-N 3.07Å; T56-V67 HydrophobicContact CG2-CG2 3.44Å; T56-V67 VanDerWaalsContact CG2-CG2 3.44Å; V67-H78 HydrophobicContact CG1-CB 3.93Å; V67-I79 CarbonylContact C-O 3.58Å; V67-I79 VanDerWaalsContact CA-O 3.24Å; V67-I79 WeakPolarHBondContact CA-O 3.45Å; V67-V80 HydrophobicContact CG2-CG2 4.01Å |
| 68 | I | 96 | Very high | 87.6 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 126.6 | 163.7 | -54.5 | -168.7 | 0 | 0 | 0 | 107.6 | V53 H78 I79 I81 L90 L101 V102 L120 | V53-I68 HydrophobicContact CG2-CG1 4.21Å; I68-H78 WeakPolarHBondContact O-CA 3.47Å; I68-I79 PolarHBondContact N-O 3.39Å; I68-I79 PolarHBondContact O-N 3.47Å; I68-I81 HydrophobicContact CD1-CD1 4.06Å; I68-I81 HydrophobicContact CD1-CG1 4.42Å; I68-I81 HydrophobicContact CG1-CD1 3.58Å; I68-I81 HydrophobicContact CG1-CG1 3.84Å; I68-L90 HydrophobicContact CD1-CD1 4.01Å; I68-L90 HydrophobicContact CD1-CD2 3.88Å; I68-L90 HydrophobicContact CD1-CG 4.5Å; I68-L90 HydrophobicContact CG1-CD2 4.26Å; I68-L101 HydrophobicContact CD1-CD2 3.63Å; I68-V102 HydrophobicContact CD1-CG2 3.92Å; I68-L120 HydrophobicContact CD1-CD1 4.44Å; I68-L120 HydrophobicContact CG2-CD1 4.49Å; I68-L120 HydrophobicContact CG2-CD2 3.9Å |
| 69 | S | 97.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.5 | 173.1 | -52.9 | 0 | 0 | 0 | 0 | 108.5 | V41 L45 F51 L52 V77 H78 | V41-S69 VanDerWaalsContact CG1-CB 3.45Å; L45-S69 WeakPolarHBondContact CD1-O 3.39Å; F51-S69 CarbonylContact C-O 3.44Å; F51-S69 WeakPolarHBondContact CA-O 3.43Å; F51-S69 WeakPolarHBondContact CB-O 3.32Å; L52-S69 PolarHBondContact N-O 3.49Å; L52-S69 PolarHBondContact O-N 2.96Å; S69-V77 CarbonylContact C-O 3.58Å; S69-V77 WeakPolarHBondContact CA-O 3.4Å; S69-H78 WeakPolarHBondContact CB-ND1 3.38Å; S69-H78 PolarHBondContact OG-ND1 2.9Å |
| 70 | V | 97.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 136 | -176.9 | 57.4 | 0 | 0 | 0 | 0 | 109.6 | E50 F51 V76 V77 I79 A118 L120 | E50-V70 CarbonylContact O-C 3.57Å; E50-V70 VanDerWaalsContact O-CA 3.29Å; E50-V70 WeakPolarHBondContact O-CA 3.5Å; E50-V70 WeakPolarHBondContact O-CG2 3.31Å; F51-V70 HydrophobicContact CB-CB 3.89Å; F51-V70 HydrophobicContact CB-CG2 4.06Å; V70-V76 WeakPolarHBondContact O-CA 3.5Å; V70-V77 HydrophobicContact CG1-CB 4.08Å; V70-V77 PolarHBondContact N-O 3.09Å; V70-V77 PolarHBondContact O-N 3.38Å; V70-I79 HydrophobicContact CG1-CD1 4.16Å; V70-A118 HydrophobicContact CG1-CB 3.73Å; V70-L120 HydrophobicContact CB-CD2 4.02Å; V70-L120 HydrophobicContact CG1-CD2 4.45Å; V70-L120 HydrophobicContact CG2-CD2 4.05Å |
| 71 | R | 98 | Very high | 91.8 | Very high | 59 Ų | 59 | 42.8 Ų | 42.8 | 22% | 0.223 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 132.1 | 169.9 | -172.9 | -177 | -161.4 | 82 | 10.7 | 109.6 | L45 L46 D48 G49 E50 G74 E75 V76 | L45-R71 HydrophobicContact CB-CB 3.84Å; L45-R71 VanDerWaalsContact O-CD 3.32Å; L45-R71 WeakPolarHBondContact O-CD 3.42Å; L45-R71 PolarHBondContact O-NH1 3.46Å; L46-R71 VanDerWaalsContact O-CD 3.23Å; L46-R71 WeakPolarHBondContact O-CD 3.43Å; L46-R71 PolarHBondContact O-NE 3.49Å; D48-R71 CarbonylContact C-O 3.46Å; D48-R71 WeakPolarHBondContact CA-O 3.43Å; G49-R71 PolarHBondContact N-O 3.06Å; E50-R71 PolarHBondContact O-N 3.29Å; R71-G74 PolarHBondContact NH2-O 2.86Å; R71-E75 CarbonylContact C-O 3.42Å; R71-E75 WeakPolarHBondContact CA-O 3.18Å; R71-E75 WeakPolarHBondContact CG-O 3.42Å; R71-V76 HydrophobicContact CB-CG2 4.26Å; R71-V76 HydrophobicContact CG-CG2 4.34Å |
| 72 | W | 97.6 | Very high | 92.9 | Very high | 34 Ų | 34 | 36.1 Ų | 36.1 | 13% | 0.129 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 129.9 | 178 | -165 | -118 | 0 | 0 | 0 | 111.2 | D48 G74 E75 V77 G117 A118 L119 | D48-W72 HydrophobicContact CB-CE3 4.12Å; D48-W72 HydrophobicContact CB-CZ3 4.32Å; W72-G74 PolarHBondContact O-N 3.37Å; W72-E75 PolarHBondContact N-O 3.3Å; W72-E75 PolarHBondContact O-N 3.43Å; W72-E75 VanDerWaalsContact O-N 3.12Å; W72-V77 HydrophobicContact CB-CG2 4.43Å; W72-G117 PolarHBondContact NE1-O 3.12Å; W72-A118 HydrophobicContact CB-CB 3.73Å; W72-A118 HydrophobicContact CD2-CB 4.33Å; W72-A118 HydrophobicContact CG-CB 3.73Å; W72-L119 HydrophobicContact CH2-CB 3.87Å; W72-L119 HydrophobicContact CH2-CD1 3.64Å; W72-L119 HydrophobicContact CH2-CG 3.59Å; W72-L119 HydrophobicContact CZ2-CB 4.44Å; W72-L119 HydrophobicContact CZ2-CD1 4.09Å; W72-L119 HydrophobicContact CZ2-CG 3.82Å; W72-L119 HydrophobicContact CZ3-CB 3.92Å; W72-L119 HydrophobicContact CZ3-CD1 4.45Å; W72-L119 HydrophobicContact CZ3-CG 4.17Å |
| 73 | K | 95.3 | Very high | 93.5 | Very high | 165 Ų | 165 | 34.7 Ų | 34.7 | 72% | 0.717 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 41.5 | 176 | -64.7 | -177.4 | 174.9 | -178.5 | 0 | 113.4 | D48 | D48-K73 PolarHBondContact OD1-N 3.07Å; D48-K73 WeakPolarHBondContact OD2-CA 3.43Å; D48-K73 PolarHBondContact OD2-N 2.96Å |
| 74 | G | 91.6 | Very high | 93.7 | Very high | 49 Ų | 49 | 36.2 Ų | 36.2 | 51% | 0.505 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88 | -7.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | R71 W72 | R71-G74 PolarHBondContact NH2-O 2.86Å; W72-G74 PolarHBondContact O-N 3.37Å |
| 75 | E | 94.8 | Very high | 93.8 | Very high | 144 Ų | 144 | 42.8 Ų | 42.8 | 67% | 0.673 | 23% | 0.225 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 163.3 | 177.7 | -61.9 | -168.3 | 149.3 | 0 | 0 | 111.8 | R71 W72 | R71-E75 CarbonylContact C-O 3.42Å; R71-E75 WeakPolarHBondContact CA-O 3.18Å; R71-E75 WeakPolarHBondContact CG-O 3.42Å; W72-E75 PolarHBondContact N-O 3.3Å; W72-E75 PolarHBondContact O-N 3.43Å; W72-E75 VanDerWaalsContact O-N 3.12Å |
| 76 | V | 96.6 | Very high | 93.8 | Very high | 20 Ų | 20 | 50.9 Ų | 50.9 | 12% | 0.121 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 116.2 | 170.5 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | E42 L45 V70 R71 H78 | E42-V76 HydrophobicContact CG-CB 4.04Å; E42-V76 HydrophobicContact CG-CG1 4.32Å; E42-V76 HydrophobicContact CG-CG2 4.31Å; L45-V76 HydrophobicContact CB-CG2 4.37Å; L45-V76 HydrophobicContact CD1-CG1 3.82Å; V70-V76 WeakPolarHBondContact O-CA 3.5Å; R71-V76 HydrophobicContact CB-CG2 4.26Å; R71-V76 HydrophobicContact CG-CG2 4.34Å; V76-H78 VanDerWaalsContact CG1-CE1 3.46Å; V76-H78 WeakPolarHBondContact CG1-CE1 3.4Å |
| 77 | V | 95.9 | Very high | 93.8 | Very high | 35 Ų | 35 | 51 Ų | 51 | 21% | 0.212 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 131.6 | 178.2 | -173.6 | 0 | 0 | 0 | 0 | 108.8 | S69 V70 W72 I79 A118 | S69-V77 CarbonylContact C-O 3.58Å; S69-V77 WeakPolarHBondContact CA-O 3.4Å; V70-V77 HydrophobicContact CG1-CB 4.08Å; V70-V77 PolarHBondContact N-O 3.09Å; V70-V77 PolarHBondContact O-N 3.38Å; W72-V77 HydrophobicContact CB-CG2 4.43Å; V77-I79 HydrophobicContact CB-CD1 4.46Å; V77-I79 HydrophobicContact CG1-CD1 3.74Å; V77-I79 HydrophobicContact CG1-CG1 3.98Å; V77-A118 HydrophobicContact CG2-CB 4.43Å |
| 78 | H | 94.9 | Very high | 93.9 | Very high | 41 Ų | 41 | 51.1 Ų | 51.1 | 19% | 0.19 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 107.9 | 178.2 | -58.3 | -79.1 | 0 | 0 | 0 | 110.4 | R38 E42 V67 I68 S69 V76 | R38-H78 WeakPolarHBondContact CG-NE2 3.39Å; R38-H78 PolarHBondContact NE-CD2 2.89Å; R38-H78 VanDerWaalsContact NE-CD2 3.34Å; R38-H78 PolarHBondContact NE-NE2 3.47Å; E42-H78 IonicContact OE1-NE2 2.71Å; E42-H78 PolarHBondContact OE1-NE2 3.26Å; V67-H78 HydrophobicContact CG1-CB 3.93Å; I68-H78 WeakPolarHBondContact O-CA 3.47Å; S69-H78 WeakPolarHBondContact CB-ND1 3.38Å; S69-H78 PolarHBondContact OG-ND1 2.9Å; V76-H78 VanDerWaalsContact CG1-CE1 3.46Å; V76-H78 WeakPolarHBondContact CG1-CE1 3.4Å |
| 79 | I | 94.3 | Very high | 93.8 | Very high | 17 Ų | 17 | 51.1 Ų | 51.1 | 9% | 0.087 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121.4 | -178.7 | -55.3 | 111.1 | 0 | 0 | 0 | 109.4 | V67 I68 V70 V77 I81 L90 V112 T113 | V67-I79 CarbonylContact C-O 3.58Å; V67-I79 VanDerWaalsContact CA-O 3.24Å; V67-I79 WeakPolarHBondContact CA-O 3.45Å; I68-I79 PolarHBondContact N-O 3.39Å; I68-I79 PolarHBondContact O-N 3.47Å; V70-I79 HydrophobicContact CG1-CD1 4.16Å; V77-I79 HydrophobicContact CB-CD1 4.46Å; V77-I79 HydrophobicContact CG1-CD1 3.74Å; V77-I79 HydrophobicContact CG1-CG1 3.98Å; I79-I81 PolarHBondContact O-N 3.08Å; I79-L90 HydrophobicContact CG2-CB 4.22Å; I79-L90 HydrophobicContact CG2-CD2 3.94Å; I79-V112 HydrophobicContact CD1-CB 4.16Å; I79-V112 HydrophobicContact CD1-CG2 3.36Å; I79-V112 HydrophobicContact CG1-CG2 4.26Å; I79-T113 HydrophobicContact CG1-CG2 4.12Å; I79-T113 HydrophobicContact CG2-CG2 3.87Å |
| 80 | V | 93.1 | Very high | 93.6 | Very high | 33 Ų | 33 | 51.7 Ų | 51.7 | 20% | 0.2 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 128.1 | 173.2 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | K58 A63 V67 | K58-V80 HydrophobicContact CD-CG2 4.49Å; A63-V80 HydrophobicContact CB-CG1 4.07Å; V67-V80 HydrophobicContact CG2-CG2 4.01Å |
| 81 | I | 94.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 127.1 | 173.8 | -51.1 | -175.3 | 0 | 0 | 0 | 107.6 | V53 S64 A66 I68 I79 F88 L90 V98 L101 | V53-I81 HydrophobicContact CG1-CD1 4.44Å; S64-I81 VanDerWaalsContact CB-O 3.22Å; S64-I81 WeakPolarHBondContact CB-O 3.43Å; S64-I81 PolarHBondContact N-O 3.24Å; S64-I81 WeakPolarHBondContact OG-CB 3.41Å; S64-I81 PolarHBondContact OG-O 3.47Å; A66-I81 HydrophobicContact CB-CB 4.26Å; A66-I81 HydrophobicContact CB-CD1 3.76Å; A66-I81 HydrophobicContact CB-CG1 4.17Å; A66-I81 PolarHBondContact O-N 3Å; I68-I81 HydrophobicContact CD1-CD1 4.06Å; I68-I81 HydrophobicContact CD1-CG1 4.42Å; I68-I81 HydrophobicContact CG1-CD1 3.58Å; I68-I81 HydrophobicContact CG1-CG1 3.84Å; I79-I81 PolarHBondContact O-N 3.08Å; I81-F88 HydrophobicContact CG2-CB 3.94Å; I81-F88 HydrophobicContact CG2-CD1 4.22Å; I81-L90 HydrophobicContact CB-CD2 4.37Å; I81-L90 HydrophobicContact CG1-CD2 3.81Å; I81-L90 HydrophobicContact CG2-CD2 4.5Å; I81-V98 HydrophobicContact CD1-CB 4.48Å; I81-V98 HydrophobicContact CD1-CG1 3.48Å; I81-V98 VanDerWaalsContact CD1-CG1 3.48Å; I81-V98 HydrophobicContact CD1-CG2 4.19Å; I81-V98 HydrophobicContact CG2-CG2 4.31Å; I81-L101 HydrophobicContact CG2-CD1 4.14Å |
| 82 | L | 92.7 | Very high | 92.6 | Very high | 41 Ų | 41 | 57.6 Ų | 57.6 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 143.9 | 178.3 | -53.5 | 179 | 0 | 0 | 0 | 110.4 | E62 F88 S89 | E62-L82 HydrophobicContact CB-CD2 4.19Å; E62-L82 CarbonylContact O-C 3.58Å; E62-L82 WeakPolarHBondContact O-CA 3.35Å; L82-F88 CarbonylContact O-C 3.41Å; L82-F88 VanDerWaalsContact O-CA 3.22Å; L82-F88 WeakPolarHBondContact O-CA 3.5Å; L82-S89 PolarHBondContact N-O 3.19Å; L82-S89 PolarHBondContact O-N 2.84Å |
| 83 | K | 89.9 | Confident | 92.4 | Very high | 70 Ų | 70 | 60.3 Ų | 60.3 | 30% | 0.304 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 125.7 | 173.7 | 179.4 | 70.4 | -165.8 | 169.1 | 0 | 109.6 | A20 E62 G87 F88 | A20-K83 HydrophobicContact CB-CD 4.3Å; A20-K83 HydrophobicContact CB-CG 4.24Å; E62-K83 PolarHBondContact O-N 2.96Å; K83-G87 WeakPolarHBondContact CD-O 3.34Å; K83-F88 HydrophobicContact CD-CD1 3.8Å; K83-F88 HydrophobicContact CD-CE1 3.37Å; K83-F88 HydrophobicContact CD-CE2 4.42Å; K83-F88 HydrophobicContact CD-CG 4.5Å; K83-F88 HydrophobicContact CD-CZ 3.74Å; K83-F88 VanDerWaalsContact NZ-CZ 3.33Å |
| 84 | H | 89.1 | Confident | 92.4 | Very high | 49 Ų | 49 | 55.8 Ų | 55.8 | 23% | 0.227 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 161.6 | 173.7 | -65.8 | -62.8 | 0 | 0 | 0 | 110.4 | M86 G87 S89 V94 | H84-M86 PolarHBondContact O-N 3.19Å; H84-M86 VanDerWaalsContact O-N 3.17Å; H84-G87 PolarHBondContact N-O 3.03Å; H84-G87 PolarHBondContact O-N 2.93Å; H84-G87 VanDerWaalsContact O-N 3.11Å; H84-S89 PolarHBondContact CD2-OG 3.01Å; H84-S89 PolarHBondContact NE2-OG 3.23Å; H84-V94 HydrophobicContact CB-CG1 4.43Å |
| 85 | P | 87.3 | Confident | 92.6 | Very high | 138 Ų | 138 | 54.7 Ų | 54.7 | 90% | 0.896 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -36.4 | 173.3 | -27.4 | 35.3 | 0 | 0 | 0 | 113.1 | ||
| 86 | M | 87.3 | Confident | 92.6 | Very high | 171 Ų | 171 | 52.2 Ų | 52.2 | 84% | 0.842 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -1.8 | -177.9 | -54.3 | -154.8 | 95.7 | 0 | 0 | 114.5 | H84 V94 | H84-M86 PolarHBondContact O-N 3.19Å; H84-M86 VanDerWaalsContact O-N 3.17Å; M86-V94 HydrophobicContact CB-CG1 4.42Å |
| 87 | G | 92.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.5 | -140 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | K83 H84 F95 | K83-G87 WeakPolarHBondContact CD-O 3.34Å; H84-G87 PolarHBondContact N-O 3.03Å; H84-G87 PolarHBondContact O-N 2.93Å; H84-G87 VanDerWaalsContact O-N 3.11Å; G87-F95 CarbonylContact C-O 3.56Å; G87-F95 WeakPolarHBondContact CA-O 3.34Å |
| 88 | F | 94.8 | Very high | 92.5 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 151 | -174.8 | -58.7 | -91.4 | 0 | 0 | 0 | 111 | A20 L21 D24 I81 L82 K83 V94 F95 P96 V98 L101 | A20-F88 WeakPolarHBondContact O-CZ 3.35Å; L21-F88 HydrophobicContact CD2-CE1 3.65Å; L21-F88 HydrophobicContact CD2-CZ 3.95Å; D24-F88 WeakPolarHBondContact OD2-CE2 3.48Å; I81-F88 HydrophobicContact CG2-CB 3.94Å; I81-F88 HydrophobicContact CG2-CD1 4.22Å; L82-F88 CarbonylContact O-C 3.41Å; L82-F88 VanDerWaalsContact O-CA 3.22Å; L82-F88 WeakPolarHBondContact O-CA 3.5Å; K83-F88 HydrophobicContact CD-CD1 3.8Å; K83-F88 HydrophobicContact CD-CE1 3.37Å; K83-F88 HydrophobicContact CD-CE2 4.42Å; K83-F88 HydrophobicContact CD-CG 4.5Å; K83-F88 HydrophobicContact CD-CZ 3.74Å; K83-F88 VanDerWaalsContact NZ-CZ 3.33Å; F88-V94 CarbonylContact O-C 3.56Å; F88-V94 WeakPolarHBondContact O-CA 3.41Å; F88-F95 PolarHBondContact N-O 3.21Å; F88-F95 PolarHBondContact O-N 2.78Å; F88-P96 WeakPolarHBondContact CD2-O 3.46Å; F88-P96 WeakPolarHBondContact CE2-O 3.4Å; F88-V98 HydrophobicContact CB-CG2 4.3Å; F88-V98 HydrophobicContact CD1-CG2 3.76Å; F88-V98 HydrophobicContact CD2-CG2 4.17Å; F88-V98 HydrophobicContact CE1-CG2 4.03Å; F88-V98 HydrophobicContact CE2-CG2 4.42Å; F88-V98 HydrophobicContact CG-CG2 3.83Å; F88-V98 HydrophobicContact CZ-CG2 4.34Å; F88-L101 HydrophobicContact CB-CD1 4.24Å |
| 89 | S | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 162.7 | 178.4 | 67.9 | 0 | 0 | 0 | 0 | 112 | L82 H84 E91 K93 | L82-S89 PolarHBondContact N-O 3.19Å; L82-S89 PolarHBondContact O-N 2.84Å; H84-S89 PolarHBondContact CD2-OG 3.01Å; H84-S89 PolarHBondContact NE2-OG 3.23Å; S89-E91 WeakPolarHBondContact CB-O 3.47Å; S89-E91 PolarHBondContact OG-O 2.71Å; S89-K93 WeakPolarHBondContact CA-O 3.46Å; S89-K93 WeakPolarHBondContact CB-O 3.41Å |
| 90 | L | 92.5 | Very high | 92.7 | Very high | 11 Ų | 11 | 54.8 Ų | 54.8 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -103 | -25.7 | 164.9 | -56.7 | -179.4 | 0 | 0 | 0 | 111.9 | I68 I79 I81 L101 Y105 V112 | I68-L90 HydrophobicContact CD1-CD1 4.01Å; I68-L90 HydrophobicContact CD1-CD2 3.88Å; I68-L90 HydrophobicContact CD1-CG 4.5Å; I68-L90 HydrophobicContact CG1-CD2 4.26Å; I79-L90 HydrophobicContact CG2-CB 4.22Å; I79-L90 HydrophobicContact CG2-CD2 3.94Å; I81-L90 HydrophobicContact CB-CD2 4.37Å; I81-L90 HydrophobicContact CG1-CD2 3.81Å; I81-L90 HydrophobicContact CG2-CD2 4.5Å; L90-L101 HydrophobicContact CD1-CD2 3.89Å; L90-L101 HydrophobicContact CD2-CD1 4.25Å; L90-L101 HydrophobicContact CD2-CD2 4.08Å; L90-L101 HydrophobicContact CG-CD1 4.06Å; L90-L101 HydrophobicContact CG-CD2 3.84Å; L90-L101 HydrophobicContact CG-CG 4.32Å; L90-Y105 HydrophobicContact CD1-CD2 3.94Å; L90-Y105 HydrophobicContact CD1-CE2 3.76Å; L90-Y105 HydrophobicContact CG-CE2 4.18Å; L90-V112 WeakPolarHBondContact CB-O 3.42Å; L90-V112 HydrophobicContact CD1-CB 3.73Å; L90-V112 HydrophobicContact CD1-CG1 4.1Å |
| 91 | E | 89.8 | Confident | 92.8 | Very high | 62 Ų | 62 | 53.2 Ų | 53.2 | 29% | 0.29 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -159.6 | -124.5 | -177.1 | -160.9 | -177.3 | 167.1 | 0 | 0 | 106.5 | S89 K93 T113 K114 | S89-E91 WeakPolarHBondContact CB-O 3.47Å; S89-E91 PolarHBondContact OG-O 2.71Å; E91-K93 PolarHBondContact O-N 3.05Å; E91-T113 WeakPolarHBondContact OE2-CA 3.15Å; E91-K114 WeakPolarHBondContact OE1-CD 3.26Å; E91-K114 WeakPolarHBondContact OE1-CG 3.43Å; E91-K114 IonicContact OE1-NZ 3.32Å; E91-K114 PolarHBondContact OE1-NZ 2.92Å; E91-K114 PolarHBondContact OE2-N 3.41Å |
| 92 | D | 86 | Confident | 92.9 | Very high | 122 Ų | 122 | 53.2 Ų | 53.2 | 65% | 0.652 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -72.1 | -27.2 | -170.1 | -54.1 | -39.3 | 0 | 0 | 0 | 114.9 | K114 | D92-K114 IonicContact OD2-NZ 2.69Å; D92-K114 PolarHBondContact OD2-NZ 3.45Å |
| 93 | K | 92.5 | Very high | 93.1 | Very high | 90 Ų | 90 | 54 Ų | 54 | 39% | 0.391 | 29% | 0.288 | S | S | . | . | trans | -91.7 | 126.4 | -173.1 | -65.8 | -178.6 | -177.3 | 177.6 | 0 | 111.8 | S89 E91 F95 F104 | S89-K93 WeakPolarHBondContact CA-O 3.46Å; S89-K93 WeakPolarHBondContact CB-O 3.41Å; E91-K93 PolarHBondContact O-N 3.05Å; K93-F95 HydrophobicContact CB-CE2 3.62Å; K93-F95 HydrophobicContact CB-CZ 3.85Å; K93-F95 HydrophobicContact CD-CZ 4.42Å; K93-F95 WeakPolarHBondContact O-CE2 3.38Å; K93-F104 HydrophobicContact CD-CE1 3.92Å; K93-F104 HydrophobicContact CD-CZ 4.08Å | ||
| 94 | V | 95 | Very high | 93.4 | Very high | 70 Ų | 70 | 53.1 Ų | 53.1 | 42% | 0.424 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 135.3 | 178.8 | -174.2 | 0 | 0 | 0 | 0 | 110.9 | H84 M86 F88 | H84-V94 HydrophobicContact CB-CG1 4.43Å; M86-V94 HydrophobicContact CB-CG1 4.42Å; F88-V94 CarbonylContact O-C 3.56Å; F88-V94 WeakPolarHBondContact O-CA 3.41Å |
| 95 | F | 96.4 | Very high | 93.8 | Very high | 26 Ų | 26 | 51.3 Ų | 51.3 | 11% | 0.114 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 146.8 | -179 | -58.9 | -89.9 | 0 | 0 | 0 | 110.6 | G87 F88 K93 T97 D100 L101 F104 Y105 | G87-F95 CarbonylContact C-O 3.56Å; G87-F95 WeakPolarHBondContact CA-O 3.34Å; F88-F95 PolarHBondContact N-O 3.21Å; F88-F95 PolarHBondContact O-N 2.78Å; K93-F95 HydrophobicContact CB-CE2 3.62Å; K93-F95 HydrophobicContact CB-CZ 3.85Å; K93-F95 HydrophobicContact CD-CZ 4.42Å; K93-F95 WeakPolarHBondContact O-CE2 3.38Å; F95-T97 VanDerWaalsContact C-N 3.32Å; F95-T97 PolarHBondContact O-N 3.32Å; F95-D100 HydrophobicContact CB-CB 4.23Å; F95-L101 HydrophobicContact CB-CB 3.86Å; F95-L101 HydrophobicContact CD2-CB 3.61Å; F95-L101 HydrophobicContact CD2-CD1 3.98Å; F95-L101 HydrophobicContact CD2-CG 3.69Å; F95-L101 HydrophobicContact CE2-CB 4.32Å; F95-L101 HydrophobicContact CE2-CG 4.09Å; F95-L101 HydrophobicContact CG-CB 3.76Å; F95-L101 HydrophobicContact CG-CG 4.36Å; F95-F104 HydrophobicContact CD1-CB 4.24Å; F95-F104 HydrophobicContact CE1-CB 3.42Å; F95-F104 VanDerWaalsContact CE1-CB 3.42Å; F95-F104 AromaticContact CE1-CD1 3.91Å; F95-F104 HydrophobicContact CE1-CD1 3.91Å; F95-F104 AromaticContact CE1-CD2 3.88Å; F95-F104 HydrophobicContact CE1-CD2 3.88Å; F95-F104 AromaticContact CE1-CG 3.44Å; F95-F104 HydrophobicContact CE1-CG 3.44Å; F95-F104 VanDerWaalsContact CE1-CG 3.44Å; F95-F104 HydrophobicContact CZ-CB 3.79Å; F95-F104 AromaticContact CZ-CD1 3.45Å; F95-F104 HydrophobicContact CZ-CD1 3.45Å; F95-F104 VanDerWaalsContact CZ-CD1 3.45Å; F95-F104 HydrophobicContact CZ-CD2 4.21Å; F95-F104 HydrophobicContact CZ-CE1 4.13Å; F95-F104 AromaticContact CZ-CG 3.53Å; F95-F104 HydrophobicContact CZ-CG 3.53Å; F95-Y105 AromaticContact CE2-CE2 3.9Å; F95-Y105 HydrophobicContact CE2-CE2 3.9Å; F95-Y105 HydrophobicContact CZ-CE2 4.3Å |
| 96 | P | 94.8 | Very high | 94.2 | Very high | 92 Ų | 92 | 47.6 Ų | 47.6 | 60% | 0.597 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -59.2 | -40.1 | -178.4 | -24.8 | 34.8 | 0 | 0 | 0 | 113.8 | F88 | F88-P96 WeakPolarHBondContact CD2-O 3.46Å; F88-P96 WeakPolarHBondContact CE2-O 3.4Å |
| 97 | T | 95.5 | Very high | 94.6 | Very high | 27 Ų | 27 | 43.4 Ų | 43.4 | 17% | 0.166 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -129.7 | 161.6 | 179.6 | 70.8 | 0 | 0 | 0 | 0 | 112.4 | D24 P25 F95 R99 D100 L101 | D24-T97 WeakPolarHBondContact OD2-CA 3.44Å; D24-T97 WeakPolarHBondContact OD2-CB 3.4Å; P25-T97 HydrophobicContact CG-CG2 3.99Å; F95-T97 VanDerWaalsContact C-N 3.32Å; F95-T97 PolarHBondContact O-N 3.32Å; T97-R99 VanDerWaalsContact C-N 3.26Å; T97-R99 PolarHBondContact O-N 3.17Å; T97-R99 PolarHBondContact OG1-N 2.95Å; T97-D100 WeakPolarHBondContact CB-OD2 3.29Å; T97-D100 PolarHBondContact N-OD2 3.43Å; T97-D100 PolarHBondContact O-N 3.19Å; T97-D100 PolarHBondContact OG1-N 2.95Å; T97-D100 VanDerWaalsContact OG1-N 3.07Å; T97-D100 PolarHBondContact OG1-OD2 2.82Å; T97-L101 PolarHBondContact O-N 2.97Å; T97-L101 VanDerWaalsContact O-N 3.14Å |
| 98 | V | 95.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63 | -35.5 | 172.1 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | L21 D24 I26 V53 I81 F88 L101 V102 | L21-V98 HydrophobicContact CD2-CG2 3.76Å; D24-V98 PolarHBondContact OD2-N 3.36Å; I26-V98 HydrophobicContact CB-CB 4.1Å; I26-V98 HydrophobicContact CB-CG1 4.23Å; I26-V98 HydrophobicContact CD1-CG1 3.89Å; I26-V98 HydrophobicContact CG1-CB 4.27Å; I26-V98 HydrophobicContact CG1-CG1 3.84Å; I26-V98 HydrophobicContact CG2-CB 4.47Å; V53-V98 HydrophobicContact CG1-CG1 4.39Å; I81-V98 HydrophobicContact CD1-CB 4.48Å; I81-V98 HydrophobicContact CD1-CG1 3.48Å; I81-V98 VanDerWaalsContact CD1-CG1 3.48Å; I81-V98 HydrophobicContact CD1-CG2 4.19Å; I81-V98 HydrophobicContact CG2-CG2 4.31Å; F88-V98 HydrophobicContact CB-CG2 4.3Å; F88-V98 HydrophobicContact CD1-CG2 3.76Å; F88-V98 HydrophobicContact CD2-CG2 4.17Å; F88-V98 HydrophobicContact CE1-CG2 4.03Å; F88-V98 HydrophobicContact CE2-CG2 4.42Å; F88-V98 HydrophobicContact CG-CG2 3.83Å; F88-V98 HydrophobicContact CZ-CG2 4.34Å; V98-L101 WeakPolarHBondContact O-CB 3.24Å; V98-L101 PolarHBondContact O-N 2.97Å; V98-V102 HydrophobicContact CG1-CG2 4.4Å; V98-V102 WeakPolarHBondContact O-CG2 3.21Å; V98-V102 PolarHBondContact O-N 3.41Å |
| 99 | R | 95.9 | Very high | 94.6 | Very high | 75 Ų | 75 | 52.9 Ų | 52.9 | 28% | 0.283 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 174.2 | 178 | -170.2 | -70.6 | -178 | -10.2 | 111.8 | P25 S28 E29 T97 L101 V102 S103 | P25-R99 VanDerWaalsContact CB-CZ 3.46Å; P25-R99 HydrophobicContact CG-CB 4.09Å; P25-R99 PolarHBondContact O-NH2 2.8Å; S28-R99 PolarHBondContact OG-NH2 3.32Å; E29-R99 IonicContact OE1-CZ 2.92Å; E29-R99 IonicContact OE1-NE 3.37Å; E29-R99 PolarHBondContact OE1-NE 3.31Å; E29-R99 IonicContact OE1-NH2 3.75Å; E29-R99 PolarHBondContact OE1-NH2 3.46Å; T97-R99 VanDerWaalsContact C-N 3.26Å; T97-R99 PolarHBondContact O-N 3.17Å; T97-R99 PolarHBondContact OG1-N 2.95Å; R99-L101 VanDerWaalsContact C-N 3.32Å; R99-L101 PolarHBondContact O-N 3.48Å; R99-V102 PolarHBondContact O-N 3.48Å; R99-S103 WeakPolarHBondContact O-CB 3.25Å; R99-S103 PolarHBondContact O-N 3.11Å; R99-S103 PolarHBondContact O-OG 2.93Å |
| 100 | D | 96.5 | Very high | 94.4 | Very high | 65 Ų | 65 | 57.7 Ų | 57.7 | 35% | 0.348 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.5 | -41.2 | -179.9 | -60.8 | -40.1 | 0 | 0 | 0 | 111.1 | F95 T97 S103 F104 | F95-D100 HydrophobicContact CB-CB 4.23Å; T97-D100 WeakPolarHBondContact CB-OD2 3.29Å; T97-D100 PolarHBondContact N-OD2 3.43Å; T97-D100 PolarHBondContact O-N 3.19Å; T97-D100 PolarHBondContact OG1-N 2.95Å; T97-D100 VanDerWaalsContact OG1-N 3.07Å; T97-D100 PolarHBondContact OG1-OD2 2.82Å; D100-S103 PolarHBondContact O-N 3.25Å; D100-F104 WeakPolarHBondContact O-CB 3.36Å; D100-F104 PolarHBondContact O-N 3.23Å |
| 101 | L | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.7 | -52.5 | 173.8 | 179.3 | 161.3 | 0 | 0 | 0 | 111.2 | I68 I81 F88 L90 F95 T97 V98 R99 S103 F104 Y105 | I68-L101 HydrophobicContact CD1-CD2 3.63Å; I81-L101 HydrophobicContact CG2-CD1 4.14Å; F88-L101 HydrophobicContact CB-CD1 4.24Å; L90-L101 HydrophobicContact CD1-CD2 3.89Å; L90-L101 HydrophobicContact CD2-CD1 4.25Å; L90-L101 HydrophobicContact CD2-CD2 4.08Å; L90-L101 HydrophobicContact CG-CD1 4.06Å; L90-L101 HydrophobicContact CG-CD2 3.84Å; L90-L101 HydrophobicContact CG-CG 4.32Å; F95-L101 HydrophobicContact CB-CB 3.86Å; F95-L101 HydrophobicContact CD2-CB 3.61Å; F95-L101 HydrophobicContact CD2-CD1 3.98Å; F95-L101 HydrophobicContact CD2-CG 3.69Å; F95-L101 HydrophobicContact CE2-CB 4.32Å; F95-L101 HydrophobicContact CE2-CG 4.09Å; F95-L101 HydrophobicContact CG-CB 3.76Å; F95-L101 HydrophobicContact CG-CG 4.36Å; T97-L101 PolarHBondContact O-N 2.97Å; T97-L101 VanDerWaalsContact O-N 3.14Å; V98-L101 WeakPolarHBondContact O-CB 3.24Å; V98-L101 PolarHBondContact O-N 2.97Å; R99-L101 VanDerWaalsContact C-N 3.32Å; R99-L101 PolarHBondContact O-N 3.48Å; L101-S103 VanDerWaalsContact C-N 3.34Å; L101-S103 PolarHBondContact O-N 3.2Å; L101-F104 PolarHBondContact O-N 3.17Å; L101-Y105 HydrophobicContact CD2-CD2 3.96Å; L101-Y105 HydrophobicContact CD2-CE2 4.25Å; L101-Y105 HydrophobicContact CG-CD2 4.19Å; L101-Y105 HydrophobicContact CG-CE2 4.14Å; L101-Y105 VanDerWaalsContact O-CD2 3.3Å; L101-Y105 WeakPolarHBondContact O-CD2 3.31Å; L101-Y105 PolarHBondContact O-N 3.48Å; L101-Y105 VanDerWaalsContact O-N 3.15Å |
| 102 | V | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 179.4 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | Y31 F51 V53 I68 V98 R99 F104 Y105 Q106 L120 | Y31-V102 HydrophobicContact CE2-CB 4.42Å; Y31-V102 HydrophobicContact CE2-CG1 3.88Å; Y31-V102 HydrophobicContact CE2-CG2 4.28Å; F51-V102 HydrophobicContact CE2-CG1 3.55Å; F51-V102 HydrophobicContact CZ-CG1 3.79Å; V53-V102 HydrophobicContact CG2-CG2 4Å; I68-V102 HydrophobicContact CD1-CG2 3.92Å; V98-V102 HydrophobicContact CG1-CG2 4.4Å; V98-V102 WeakPolarHBondContact O-CG2 3.21Å; V98-V102 PolarHBondContact O-N 3.41Å; R99-V102 PolarHBondContact O-N 3.48Å; V102-F104 VanDerWaalsContact C-N 3.29Å; V102-F104 PolarHBondContact O-N 3.45Å; V102-Y105 PolarHBondContact O-N 3.36Å; V102-Q106 VanDerWaalsContact O-CB 3.3Å; V102-Q106 WeakPolarHBondContact O-CB 3.49Å; V102-Q106 PolarHBondContact O-N 3.04Å; V102-L120 HydrophobicContact CG1-CD1 4.46Å |
| 103 | S | 96.1 | Very high | 95.1 | Very high | 58 Ų | 58 | 52.1 Ų | 52.1 | 41% | 0.406 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.8 | -41 | -179.8 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | R99 D100 L101 A107 | R99-S103 WeakPolarHBondContact O-CB 3.25Å; R99-S103 PolarHBondContact O-N 3.11Å; R99-S103 PolarHBondContact O-OG 2.93Å; D100-S103 PolarHBondContact O-N 3.25Å; L101-S103 VanDerWaalsContact C-N 3.34Å; L101-S103 PolarHBondContact O-N 3.2Å; S103-A107 WeakPolarHBondContact O-CB 3.31Å; S103-A107 PolarHBondContact O-N 2.86Å |
| 104 | F | 96.5 | Very high | 95.1 | Very high | 52 Ų | 52 | 54.1 Ų | 54.1 | 23% | 0.228 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.7 | -53.6 | 176.2 | 175 | -89.4 | 0 | 0 | 0 | 112.4 | K93 F95 D100 L101 V102 Q106 A107 K108 F110 | K93-F104 HydrophobicContact CD-CE1 3.92Å; K93-F104 HydrophobicContact CD-CZ 4.08Å; F95-F104 HydrophobicContact CD1-CB 4.24Å; F95-F104 HydrophobicContact CE1-CB 3.42Å; F95-F104 VanDerWaalsContact CE1-CB 3.42Å; F95-F104 AromaticContact CE1-CD1 3.91Å; F95-F104 HydrophobicContact CE1-CD1 3.91Å; F95-F104 AromaticContact CE1-CD2 3.88Å; F95-F104 HydrophobicContact CE1-CD2 3.88Å; F95-F104 AromaticContact CE1-CG 3.44Å; F95-F104 HydrophobicContact CE1-CG 3.44Å; F95-F104 VanDerWaalsContact CE1-CG 3.44Å; F95-F104 HydrophobicContact CZ-CB 3.79Å; F95-F104 AromaticContact CZ-CD1 3.45Å; F95-F104 HydrophobicContact CZ-CD1 3.45Å; F95-F104 VanDerWaalsContact CZ-CD1 3.45Å; F95-F104 HydrophobicContact CZ-CD2 4.21Å; F95-F104 HydrophobicContact CZ-CE1 4.13Å; F95-F104 AromaticContact CZ-CG 3.53Å; F95-F104 HydrophobicContact CZ-CG 3.53Å; D100-F104 WeakPolarHBondContact O-CB 3.36Å; D100-F104 PolarHBondContact O-N 3.23Å; L101-F104 PolarHBondContact O-N 3.17Å; V102-F104 VanDerWaalsContact C-N 3.29Å; V102-F104 PolarHBondContact O-N 3.45Å; F104-Q106 VanDerWaalsContact C-N 3.32Å; F104-Q106 PolarHBondContact O-N 3.15Å; F104-A107 PolarHBondContact O-N 2.93Å; F104-K108 HydrophobicContact CD2-CG 4.11Å; F104-K108 HydrophobicContact CE1-CG 4.42Å; F104-K108 HydrophobicContact CE2-CG 3.78Å; F104-K108 HydrophobicContact CZ-CB 4.45Å; F104-K108 HydrophobicContact CZ-CG 3.92Å; F104-K108 WeakPolarHBondContact O-CB 3.48Å; F104-K108 WeakPolarHBondContact O-CG 3.15Å; F104-K108 PolarHBondContact O-N 3.28Å; F104-F110 HydrophobicContact CE1-CD2 4.24Å; F104-F110 HydrophobicContact CZ-CD2 4.16Å |
| 105 | Y | 96.5 | Very high | 94.9 | Very high | 10 Ų | 10 | 58.7 Ų | 58.7 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.4 | -36.4 | -176.3 | -80.1 | -75.7 | 0 | 0 | 0 | 111.9 | L90 F95 L101 V102 Q109 F110 P111 V112 | L90-Y105 HydrophobicContact CD1-CD2 3.94Å; L90-Y105 HydrophobicContact CD1-CE2 3.76Å; L90-Y105 HydrophobicContact CG-CE2 4.18Å; F95-Y105 AromaticContact CE2-CE2 3.9Å; F95-Y105 HydrophobicContact CE2-CE2 3.9Å; F95-Y105 HydrophobicContact CZ-CE2 4.3Å; L101-Y105 HydrophobicContact CD2-CD2 3.96Å; L101-Y105 HydrophobicContact CD2-CE2 4.25Å; L101-Y105 HydrophobicContact CG-CD2 4.19Å; L101-Y105 HydrophobicContact CG-CE2 4.14Å; L101-Y105 VanDerWaalsContact O-CD2 3.3Å; L101-Y105 WeakPolarHBondContact O-CD2 3.31Å; L101-Y105 PolarHBondContact O-N 3.48Å; L101-Y105 VanDerWaalsContact O-N 3.15Å; V102-Y105 PolarHBondContact O-N 3.36Å; Y105-Q109 WeakPolarHBondContact O-CA 3.48Å; Y105-Q109 PolarHBondContact O-N 3.37Å; Y105-F110 HydrophobicContact CD1-CB 4.13Å; Y105-F110 HydrophobicContact CE1-CB 4.38Å; Y105-P111 VanDerWaalsContact CE1-O 3.24Å; Y105-P111 WeakPolarHBondContact CE1-O 3.42Å; Y105-V112 HydrophobicContact CD1-CG1 4.45Å; Y105-V112 HydrophobicContact CG-CG1 4.5Å |
| 106 | Q | 95.4 | Very high | 94.8 | Very high | 60 Ų | 60 | 59 Ų | 59 | 28% | 0.28 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.4 | -46.9 | 175.1 | -168.9 | 178.3 | 23.4 | 0 | 0 | 111.8 | F51 V102 F104 K108 Q109 L120 K121 | F51-Q106 HydrophobicContact CE1-CG 4.29Å; F51-Q106 HydrophobicContact CZ-CG 4.46Å; V102-Q106 VanDerWaalsContact O-CB 3.3Å; V102-Q106 WeakPolarHBondContact O-CB 3.49Å; V102-Q106 PolarHBondContact O-N 3.04Å; F104-Q106 VanDerWaalsContact C-N 3.32Å; F104-Q106 PolarHBondContact O-N 3.15Å; Q106-K108 PolarHBondContact O-N 3.42Å; Q106-Q109 PolarHBondContact O-NE2 2.85Å; Q106-L120 WeakPolarHBondContact CA-O 3.38Å; Q106-L120 HydrophobicContact CB-CB 4.24Å; Q106-K121 PolarHBondContact NE2-O 3.15Å |
| 107 | A | 96 | Very high | 94.8 | Very high | 83 Ų | 83 | 55.9 Ų | 55.9 | 69% | 0.686 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -68.6 | -37.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S103 F104 | S103-A107 WeakPolarHBondContact O-CB 3.31Å; S103-A107 PolarHBondContact O-N 2.86Å; F104-A107 PolarHBondContact O-N 2.93Å |
| 108 | K | 94.8 | Very high | 94.8 | Very high | 131 Ų | 131 | 54.6 Ų | 54.6 | 57% | 0.57 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -87.8 | -12.6 | -178 | -63.2 | -61.9 | -176.1 | -176.2 | 0 | 114.2 | F104 Q106 F110 | F104-K108 HydrophobicContact CD2-CG 4.11Å; F104-K108 HydrophobicContact CE1-CG 4.42Å; F104-K108 HydrophobicContact CE2-CG 3.78Å; F104-K108 HydrophobicContact CZ-CB 4.45Å; F104-K108 HydrophobicContact CZ-CG 3.92Å; F104-K108 WeakPolarHBondContact O-CB 3.48Å; F104-K108 WeakPolarHBondContact O-CG 3.15Å; F104-K108 PolarHBondContact O-N 3.28Å; Q106-K108 PolarHBondContact O-N 3.42Å; K108-F110 HydrophobicContact CB-CD2 3.45Å; K108-F110 VanDerWaalsContact CB-CD2 3.45Å; K108-F110 HydrophobicContact CB-CE2 4Å; K108-F110 HydrophobicContact CB-CG 4.38Å; K108-F110 HydrophobicContact CG-CD2 4.22Å; K108-F110 HydrophobicContact CG-CE2 4.49Å; K108-F110 PolarHBondContact O-N 3.26Å |
| 109 | Q | 93.1 | Very high | 94.9 | Very high | 76 Ų | 76 | 56.1 Ų | 56.1 | 36% | 0.355 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 37.5 | -174.5 | -63.9 | -67.4 | -58.8 | 0 | 0 | 111.8 | Y105 Q106 L119 L120 | Y105-Q109 WeakPolarHBondContact O-CA 3.48Å; Y105-Q109 PolarHBondContact O-N 3.37Å; Q106-Q109 PolarHBondContact O-NE2 2.85Å; Q109-L119 WeakPolarHBondContact O-CD2 3.48Å; Q109-L120 PolarHBondContact NE2-O 3.39Å |
| 110 | F | 91.3 | Very high | 95 | Very high | 101 Ų | 101 | 52.5 Ų | 52.5 | 44% | 0.443 | 29% | 0.285 | S | S | . | . | trans | -84 | 148.4 | 172.8 | -89.8 | -63.3 | 0 | 0 | 0 | 110.3 | F104 Y105 K108 V112 L119 | F104-F110 HydrophobicContact CE1-CD2 4.24Å; F104-F110 HydrophobicContact CZ-CD2 4.16Å; Y105-F110 HydrophobicContact CD1-CB 4.13Å; Y105-F110 HydrophobicContact CE1-CB 4.38Å; K108-F110 HydrophobicContact CB-CD2 3.45Å; K108-F110 VanDerWaalsContact CB-CD2 3.45Å; K108-F110 HydrophobicContact CB-CE2 4Å; K108-F110 HydrophobicContact CB-CG 4.38Å; K108-F110 HydrophobicContact CG-CD2 4.22Å; K108-F110 HydrophobicContact CG-CE2 4.49Å; K108-F110 PolarHBondContact O-N 3.26Å; F110-V112 PolarHBondContact O-N 2.93Å; F110-L119 VanDerWaalsContact C-CD2 3.47Å | ||
| 111 | P | 94.9 | Very high | 95 | Very high | 56 Ų | 56 | 53.7 Ų | 53.7 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -53.5 | 129.4 | 168.2 | -27.1 | 36.8 | 0 | 0 | 0 | 111.6 | Y105 T113 A118 L119 | Y105-P111 VanDerWaalsContact CE1-O 3.24Å; Y105-P111 WeakPolarHBondContact CE1-O 3.42Å; P111-T113 PolarHBondContact O-N 3.36Å; P111-A118 CarbonylContact C-O 3.58Å; P111-A118 WeakPolarHBondContact CA-O 3.42Å; P111-L119 HydrophobicContact CB-CD2 4.44Å; P111-L119 HydrophobicContact CG-CD2 4.04Å |
| 112 | V | 93.6 | Very high | 95 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -61.3 | -29.9 | 177.2 | -68 | 0 | 0 | 0 | 0 | 112.8 | I79 L90 Y105 F110 S116 A118 L120 | I79-V112 HydrophobicContact CD1-CB 4.16Å; I79-V112 HydrophobicContact CD1-CG2 3.36Å; I79-V112 HydrophobicContact CG1-CG2 4.26Å; L90-V112 WeakPolarHBondContact CB-O 3.42Å; L90-V112 HydrophobicContact CD1-CB 3.73Å; L90-V112 HydrophobicContact CD1-CG1 4.1Å; Y105-V112 HydrophobicContact CD1-CG1 4.45Å; Y105-V112 HydrophobicContact CG-CG1 4.5Å; F110-V112 PolarHBondContact O-N 2.93Å; V112-S116 WeakPolarHBondContact CG2-OG 3.34Å; V112-A118 HydrophobicContact CG2-CB 3.86Å; V112-A118 WeakPolarHBondContact CG2-O 3.45Å; V112-A118 PolarHBondContact N-O 3.1Å; V112-L120 HydrophobicContact CG1-CD1 4.1Å; V112-L120 HydrophobicContact CG1-CD2 3.64Å; V112-L120 HydrophobicContact CG1-CG 3.53Å |
| 113 | T | 93.5 | Very high | 94.9 | Very high | 22 Ų | 22 | 58 Ų | 58 | 14% | 0.135 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -146.6 | 150.3 | 168.3 | 61.9 | 0 | 0 | 0 | 0 | 107.9 | I79 E91 P111 D115 S116 G117 | I79-T113 HydrophobicContact CG1-CG2 4.12Å; I79-T113 HydrophobicContact CG2-CG2 3.87Å; E91-T113 WeakPolarHBondContact OE2-CA 3.15Å; P111-T113 PolarHBondContact O-N 3.36Å; T113-D115 VanDerWaalsContact C-N 3.31Å; T113-D115 PolarHBondContact O-N 2.91Å; T113-S116 VanDerWaalsContact OG1-CB 3.3Å; T113-S116 WeakPolarHBondContact OG1-CB 3.44Å; T113-S116 PolarHBondContact OG1-N 3.11Å; T113-S116 PolarHBondContact OG1-OG 3.49Å; T113-G117 PolarHBondContact O-N 3.07Å |
| 114 | K | 91.6 | Very high | 94.8 | Very high | 133 Ų | 133 | 56 Ų | 56 | 58% | 0.578 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -45.8 | 175.6 | -65.4 | -177.6 | -164.4 | 104.3 | 0 | 112.8 | E91 D92 | E91-K114 WeakPolarHBondContact OE1-CD 3.26Å; E91-K114 WeakPolarHBondContact OE1-CG 3.43Å; E91-K114 IonicContact OE1-NZ 3.32Å; E91-K114 PolarHBondContact OE1-NZ 2.92Å; E91-K114 PolarHBondContact OE2-N 3.41Å; D92-K114 IonicContact OD2-NZ 2.69Å; D92-K114 PolarHBondContact OD2-NZ 3.45Å |
| 115 | D | 92.2 | Very high | 94.4 | Very high | 166 Ų | 166 | 60 Ų | 60 | 89% | 0.888 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -44.5 | -173.3 | -66.4 | -15.4 | 0 | 0 | 0 | 113.6 | T113 G117 | T113-D115 VanDerWaalsContact C-N 3.31Å; T113-D115 PolarHBondContact O-N 2.91Å; D115-G117 VanDerWaalsContact C-N 3.34Å; D115-G117 PolarHBondContact O-N 3.32Å |
| 116 | S | 93 | Very high | 93.7 | Very high | 32 Ų | 32 | 61.4 Ų | 61.4 | 22% | 0.224 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -28.8 | -179.6 | 69.9 | 0 | 0 | 0 | 0 | 113.4 | V112 T113 A118 | V112-S116 WeakPolarHBondContact CG2-OG 3.34Å; T113-S116 VanDerWaalsContact OG1-CB 3.3Å; T113-S116 WeakPolarHBondContact OG1-CB 3.44Å; T113-S116 PolarHBondContact OG1-N 3.11Å; T113-S116 PolarHBondContact OG1-OG 3.49Å; S116-A118 PolarHBondContact O-N 3.29Å; S116-A118 PolarHBondContact OG-N 3.01Å |
| 117 | G | 95.2 | Very high | 93 | Very high | 26 Ų | 26 | 59.7 Ų | 59.7 | 27% | 0.268 | 32% | 0.319 | S | S | . | . | trans | 60.1 | 10.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | W72 T113 D115 | W72-G117 PolarHBondContact NE1-O 3.12Å; T113-G117 PolarHBondContact O-N 3.07Å; D115-G117 VanDerWaalsContact C-N 3.34Å; D115-G117 PolarHBondContact O-N 3.32Å | ||
| 118 | A | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | -78.6 | 138.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V70 W72 V77 P111 V112 S116 | V70-A118 HydrophobicContact CG1-CB 3.73Å; W72-A118 HydrophobicContact CB-CB 3.73Å; W72-A118 HydrophobicContact CD2-CB 4.33Å; W72-A118 HydrophobicContact CG-CB 3.73Å; V77-A118 HydrophobicContact CG2-CB 4.43Å; P111-A118 CarbonylContact C-O 3.58Å; P111-A118 WeakPolarHBondContact CA-O 3.42Å; V112-A118 HydrophobicContact CG2-CB 3.86Å; V112-A118 WeakPolarHBondContact CG2-O 3.45Å; V112-A118 PolarHBondContact N-O 3.1Å; S116-A118 PolarHBondContact O-N 3.29Å; S116-A118 PolarHBondContact OG-N 3.01Å | ||
| 119 | L | 97.3 | Very high | 92.3 | Very high | 32 Ų | 32 | 59.2 Ų | 59.2 | 17% | 0.168 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -111.3 | 137.7 | -177.8 | -54.8 | -174.6 | 0 | 0 | 0 | 110.8 | G49 W72 Q109 F110 P111 K121 | G49-L119 VanDerWaalsContact CA-O 3.25Å; G49-L119 WeakPolarHBondContact CA-O 3.49Å; W72-L119 HydrophobicContact CH2-CB 3.87Å; W72-L119 HydrophobicContact CH2-CD1 3.64Å; W72-L119 HydrophobicContact CH2-CG 3.59Å; W72-L119 HydrophobicContact CZ2-CB 4.44Å; W72-L119 HydrophobicContact CZ2-CD1 4.09Å; W72-L119 HydrophobicContact CZ2-CG 3.82Å; W72-L119 HydrophobicContact CZ3-CB 3.92Å; W72-L119 HydrophobicContact CZ3-CD1 4.45Å; W72-L119 HydrophobicContact CZ3-CG 4.17Å; Q109-L119 WeakPolarHBondContact O-CD2 3.48Å; F110-L119 VanDerWaalsContact C-CD2 3.47Å; P111-L119 HydrophobicContact CB-CD2 4.44Å; P111-L119 HydrophobicContact CG-CD2 4.04Å; L119-K121 PolarHBondContact O-N 2.76Å |
| 120 | L | 97.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -84 | 110 | 171.7 | -56.6 | -170.7 | 0 | 0 | 0 | 109.3 | F51 I68 V70 V102 Q106 Q109 V112 | F51-L120 HydrophobicContact CB-CD2 3.78Å; F51-L120 HydrophobicContact CD1-CB 3.8Å; F51-L120 HydrophobicContact CD1-CD2 4.04Å; F51-L120 HydrophobicContact CD1-CG 4.4Å; F51-L120 HydrophobicContact CD2-CD1 4.36Å; F51-L120 HydrophobicContact CD2-CD2 4.14Å; F51-L120 HydrophobicContact CE1-CB 3.76Å; F51-L120 HydrophobicContact CE2-CD1 4.29Å; F51-L120 HydrophobicContact CG-CB 4.31Å; F51-L120 HydrophobicContact CG-CD2 3.73Å; F51-L120 HydrophobicContact CG-CG 4.42Å; F51-L120 HydrophobicContact CZ-CB 4.25Å; F51-L120 HydrophobicContact CZ-CD1 4.43Å; I68-L120 HydrophobicContact CD1-CD1 4.44Å; I68-L120 HydrophobicContact CG2-CD1 4.49Å; I68-L120 HydrophobicContact CG2-CD2 3.9Å; V70-L120 HydrophobicContact CB-CD2 4.02Å; V70-L120 HydrophobicContact CG1-CD2 4.45Å; V70-L120 HydrophobicContact CG2-CD2 4.05Å; V102-L120 HydrophobicContact CG1-CD1 4.46Å; Q106-L120 WeakPolarHBondContact CA-O 3.38Å; Q106-L120 HydrophobicContact CB-CB 4.24Å; Q109-L120 PolarHBondContact NE2-O 3.39Å; V112-L120 HydrophobicContact CG1-CD1 4.1Å; V112-L120 HydrophobicContact CG1-CD2 3.64Å; V112-L120 HydrophobicContact CG1-CG 3.53Å | ||
| 121 | K | 97.1 | Very high | 92.1 | Very high | 90 Ų | 90 | 52 Ų | 52 | 39% | 0.391 | 28% | 0.276 | S | S | . | . | trans | -106.5 | -62.8 | 178.9 | -64.9 | -180 | -178.2 | 173.1 | 0 | 111 | G49 Q106 L119 | G49-K121 WeakPolarHBondContact O-CA 3.22Å; G49-K121 PolarHBondContact O-N 3.21Å; Q106-K121 PolarHBondContact NE2-O 3.15Å; L119-K121 PolarHBondContact O-N 2.76Å | ||
| 122 | T | 96.1 | Very high | 91.8 | Very high | 79 Ų | 79 | 51.6 Ų | 51.6 | 49% | 0.485 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 111.9 | -170.1 | -53.7 | 0 | 0 | 0 | 0 | 109.4 | G49 E50 F51 I124 | G49-T122 PolarHBondContact O-N 3.44Å; E50-T122 CarbonylContact C-O 3.53Å; E50-T122 VanDerWaalsContact CA-O 3.28Å; E50-T122 WeakPolarHBondContact CA-O 3.49Å; F51-T122 VanDerWaalsContact CD1-O 3.29Å; F51-T122 WeakPolarHBondContact CD1-O 3.48Å; F51-T122 VanDerWaalsContact CE1-C 3.5Å; F51-T122 PolarHBondContact N-O 2.94Å; T122-I124 PolarHBondContact O-N 3.43Å |
| 123 | A | 95.8 | Very high | 91.7 | Very high | 10 Ų | 10 | 53.8 Ų | 53.8 | 8% | 0.083 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 121.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108 | F30 Y31 F51 | F30-A123 HydrophobicContact CE2-CB 3.75Å; F30-A123 HydrophobicContact CZ-CB 3.91Å; Y31-A123 HydrophobicContact CD1-CB 3.69Å; Y31-A123 HydrophobicContact CE1-CB 4.48Å; Y31-A123 HydrophobicContact CG-CB 3.9Å; F51-A123 HydrophobicContact CE1-CB 3.82Å; F51-A123 VanDerWaalsContact CE1-N 3.26Å; F51-A123 HydrophobicContact CE2-CB 3.99Å; F51-A123 HydrophobicContact CZ-CB 3.5Å; F51-A123 VanDerWaalsContact CZ-CB 3.5Å |
| 124 | I | 93.4 | Very high | 91.6 | Very high | 18 Ų | 18 | 57.5 Ų | 57.5 | 9% | 0.092 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 135.4 | 179 | 67 | 157.1 | 0 | 0 | 0 | 110.3 | Y31 Y33 M44 L45 E50 F51 L52 T122 | Y31-I124 WeakPolarHBondContact CA-O 3.47Å; Y31-I124 WeakPolarHBondContact CB-O 3.46Å; Y33-I124 HydrophobicContact CE2-CD1 4.08Å; Y33-I124 HydrophobicContact CE2-CG1 4.01Å; Y33-I124 WeakPolarHBondContact OH-CD1 3.41Å; M44-I124 HydrophobicContact CB-CD1 4.21Å; M44-I124 HydrophobicContact CE-CD1 3.96Å; L45-I124 HydrophobicContact CD2-CD1 3.79Å; L45-I124 HydrophobicContact CD2-CG1 4.05Å; L45-I124 HydrophobicContact CD2-CG2 3.96Å; E50-I124 HydrophobicContact CB-CG2 3.83Å; E50-I124 HydrophobicContact CG-CG2 4.05Å; F51-I124 PolarHBondContact O-N 2.82Å; L52-I124 HydrophobicContact CB-CD1 4.3Å; L52-I124 HydrophobicContact CB-CG1 3.86Å; L52-I124 HydrophobicContact CD2-CD1 3.53Å; L52-I124 HydrophobicContact CD2-CG1 4.05Å; L52-I124 HydrophobicContact CG-CD1 4.48Å; T122-I124 PolarHBondContact O-N 3.43Å |
| 125 | H | 87.7 | Confident | 91.8 | Very high | 134 Ų | 134 | 52.1 Ų | 52.1 | 62% | 0.62 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 138.8 | 173.1 | -77.1 | -93.3 | 0 | 0 | 0 | 110.7 | F30 Y33 A127 | F30-H125 HydrophobicContact CD2-CB 4.44Å; F30-H125 AromaticContact CD2-CE1 3.61Å; F30-H125 AromaticContact CD2-CG 3.8Å; F30-H125 AromaticContact CD2-ND1 3.46Å; F30-H125 WeakPolarHBondContact CD2-ND1 3.37Å; F30-H125 AromaticContact CE2-CD2 3.92Å; F30-H125 AromaticContact CE2-CE1 3.69Å; F30-H125 AromaticContact CE2-ND1 3.94Å; F30-H125 AromaticContact CE2-NE2 3.69Å; F30-H125 AromaticContact CG-CE1 3.88Å; F30-H125 AromaticContact CG-ND1 3.82Å; Y33-H125 PolarHBondContact OH-O 3.29Å; H125-A127 PolarHBondContact O-N 3.46Å |
| 126 | R | 81.5 | Confident | 92 | Very high | 40 Ų | 40 | 45 Ų | 45 | 15% | 0.151 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -49.2 | 128.3 | 164 | -91.2 | -177.4 | -70.3 | 146.3 | 11.3 | 110 | F30 F32 Y33 V130 H132 | F30-R126 WeakPolarHBondContact O-CB 3.44Å; F30-R126 VanDerWaalsContact O-CG 3.31Å; F30-R126 WeakPolarHBondContact O-CG 3.34Å; F30-R126 PolarHBondContact O-N 3.32Å; F30-R126 PolarHBondContact O-NE 3.19Å; F32-R126 WeakPolarHBondContact O-CD 3.39Å; F32-R126 PolarHBondContact O-NE 3.13Å; Y33-R126 HydrophobicContact CD1-CG 4.04Å; Y33-R126 HydrophobicContact CD2-CG 3.89Å; Y33-R126 HydrophobicContact CE1-CG 3.93Å; Y33-R126 HydrophobicContact CE2-CB 4.49Å; Y33-R126 HydrophobicContact CE2-CG 3.74Å; Y33-R126 HydrophobicContact CG-CG 4.08Å; Y33-R126 VanDerWaalsContact CZ-CA 3.47Å; Y33-R126 VanDerWaalsContact OH-CA 3.23Å; Y33-R126 WeakPolarHBondContact OH-CA 3.48Å; Y33-R126 PolarHBondContact OH-N 3.22Å; R126-V130 HydrophobicContact CB-CB 4.48Å; R126-V130 HydrophobicContact CG-CB 4.42Å; R126-V130 HydrophobicContact CG-CG1 4.18Å; R126-H132 VanDerWaalsContact CZ-NE2 3.3Å; R126-H132 PolarHBondContact NH1-CD2 3.17Å; R126-H132 VanDerWaalsContact NH1-CD2 3.25Å; R126-H132 PolarHBondContact NH1-CE1 3.44Å; R126-H132 VanDerWaalsContact NH1-CG 3.31Å; R126-H132 PolarHBondContact NH1-ND1 3.33Å; R126-H132 PolarHBondContact NH1-NE2 3.13Å; R126-H132 PolarHBondContact NH2-CE1 3Å; R126-H132 PolarHBondContact NH2-NE2 2.85Å |
| 127 | A | 82 | Confident | 92.2 | Very high | 25 Ų | 25 | 47.2 Ų | 47.2 | 21% | 0.207 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 146.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y33 H125 W129 V130 | Y33-A127 PolarHBondContact OH-N 3.1Å; H125-A127 PolarHBondContact O-N 3.46Å; A127-W129 HydrophobicContact CB-CD2 4.25Å; A127-W129 HydrophobicContact CB-CG 4.33Å; A127-W129 HydrophobicContact CB-CZ2 3.94Å; A127-W129 PolarHBondContact O-N 3.46Å; A127-V130 HydrophobicContact CB-CG2 4.34Å; A127-V130 WeakPolarHBondContact O-CB 3.48Å; A127-V130 PolarHBondContact O-N 3.34Å |
| 128 | D | 85.7 | Confident | 92.2 | Very high | 148 Ų | 148 | 49.2 Ų | 49.2 | 79% | 0.791 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -18.8 | -175.2 | -54.7 | -11.5 | 0 | 0 | 0 | 114.8 | ||
| 129 | W | 88.8 | Confident | 92.2 | Very high | 56 Ų | 56 | 53.6 Ų | 53.6 | 21% | 0.212 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -6.9 | 176.3 | 55.2 | -94.3 | 0 | 0 | 0 | 113.8 | A127 L131 F201 G203 V204 | A127-W129 HydrophobicContact CB-CD2 4.25Å; A127-W129 HydrophobicContact CB-CG 4.33Å; A127-W129 HydrophobicContact CB-CZ2 3.94Å; A127-W129 PolarHBondContact O-N 3.46Å; W129-L131 PolarHBondContact O-N 3.37Å; W129-F201 HydrophobicContact CB-CE1 3.77Å; W129-F201 HydrophobicContact CB-CZ 4.23Å; W129-F201 HydrophobicContact CE3-CZ 4.49Å; W129-F201 HydrophobicContact CG-CE1 4.45Å; W129-G203 CarbonylContact O-C 3.53Å; W129-G203 WeakPolarHBondContact O-CA 3.38Å; W129-V204 HydrophobicContact CE3-CG2 3.64Å; W129-V204 HydrophobicContact CZ3-CG2 3.62Å; W129-V204 PolarHBondContact O-N 3.13Å |
| 130 | V | 89.1 | Confident | 92.1 | Very high | 12 Ų | 12 | 57.2 Ų | 57.2 | 7% | 0.073 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 93.6 | 172.4 | -175.6 | 0 | 0 | 0 | 0 | 107.9 | Y33 R126 A127 V204 | Y33-V130 HydrophobicContact CD1-CG1 4.35Å; Y33-V130 HydrophobicContact CD1-CG2 4.32Å; Y33-V130 HydrophobicContact CE1-CG2 4.11Å; R126-V130 HydrophobicContact CB-CB 4.48Å; R126-V130 HydrophobicContact CG-CB 4.42Å; R126-V130 HydrophobicContact CG-CG1 4.18Å; A127-V130 HydrophobicContact CB-CG2 4.34Å; A127-V130 WeakPolarHBondContact O-CB 3.48Å; A127-V130 PolarHBondContact O-N 3.34Å; V130-V204 CarbonylContact C-O 3.57Å; V130-V204 WeakPolarHBondContact CA-O 3.38Å |
| 131 | L | 91.2 | Very high | 92 | Very high | 13 Ų | 13 | 60.8 Ų | 60.8 | 7% | 0.068 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 146.4 | -175.8 | -55.8 | 173.2 | 0 | 0 | 0 | 110.8 | W129 I136 L155 V204 S205 V213 | W129-L131 PolarHBondContact O-N 3.37Å; L131-I136 HydrophobicContact CB-CD1 4.43Å; L131-I136 HydrophobicContact CD1-CD1 4.4Å; L131-L155 HydrophobicContact CD1-CD1 3.88Å; L131-L155 HydrophobicContact CD1-CD2 4.32Å; L131-L155 HydrophobicContact CD2-CD1 4.4Å; L131-V204 PolarHBondContact N-O 3.14Å; L131-S205 WeakPolarHBondContact O-CA 3.42Å; L131-S205 PolarHBondContact O-OG 3.45Å; L131-V213 HydrophobicContact CD1-CB 4Å; L131-V213 HydrophobicContact CD1-CG1 4.33Å; L131-V213 HydrophobicContact CD1-CG2 3.71Å |
| 132 | H | 89.6 | Confident | 91.8 | Very high | 47 Ų | 47 | 60 Ų | 60 | 22% | 0.218 | 32% | 0.315 | C | S | . | . | trans | -69 | 146.4 | 164.2 | -74.1 | -81.3 | 0 | 0 | 0 | 111 | R126 S134 Q135 E207 | R126-H132 VanDerWaalsContact CZ-NE2 3.3Å; R126-H132 PolarHBondContact NH1-CD2 3.17Å; R126-H132 VanDerWaalsContact NH1-CD2 3.25Å; R126-H132 PolarHBondContact NH1-CE1 3.44Å; R126-H132 VanDerWaalsContact NH1-CG 3.31Å; R126-H132 PolarHBondContact NH1-ND1 3.33Å; R126-H132 PolarHBondContact NH1-NE2 3.13Å; R126-H132 PolarHBondContact NH2-CE1 3Å; R126-H132 PolarHBondContact NH2-NE2 2.85Å; H132-S134 WeakPolarHBondContact CB-OG 3.5Å; H132-S134 PolarHBondContact O-N 3.46Å; H132-Q135 HydrophobicContact CB-CG 3.96Å; H132-Q135 WeakPolarHBondContact O-CB 3.44Å; H132-Q135 PolarHBondContact O-N 3.27Å; H132-E207 WeakPolarHBondContact CA-OE1 3.46Å; H132-E207 IonicContact CE1-OE1 2.72Å; H132-E207 IonicContact CG-OE1 2.66Å; H132-E207 IonicContact ND1-OE1 2.69Å; H132-E207 PolarHBondContact ND1-OE1 3.46Å | ||
| 133 | E | 90.2 | Very high | 91.4 | Very high | 47 Ų | 47 | 57.6 Ų | 57.6 | 22% | 0.22 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -64.6 | -33.5 | 172.1 | -168.8 | 168.7 | 166.8 | 0 | 0 | 111.3 | Q135 I136 S205 E207 T208 M211 | E133-Q135 PolarHBondContact O-N 2.88Å; E133-Q135 VanDerWaalsContact O-N 3.15Å; E133-I136 PolarHBondContact O-N 3.32Å; E133-S205 PolarHBondContact N-OG 3.48Å; E133-E207 HydrophobicContact CB-CB 4.18Å; E133-E207 WeakPolarHBondContact CB-OE2 3.42Å; E133-E207 PolarHBondContact N-OE2 2.71Å; E133-T208 PolarHBondContact OE1-OG1 3.28Å; E133-T208 WeakPolarHBondContact OE2-CB 3.24Å; E133-T208 VanDerWaalsContact OE2-CG2 3.29Å; E133-T208 WeakPolarHBondContact OE2-CG2 3.22Å; E133-T208 PolarHBondContact OE2-N 2.8Å; E133-T208 PolarHBondContact OE2-OG1 3.35Å; E133-M211 HydrophobicContact CG-CE 4.06Å |
| 134 | S | 92.2 | Very high | 90.8 | Very high | 99 Ų | 99 | 62.4 Ų | 62.4 | 69% | 0.692 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -61.7 | -19.9 | 174.6 | 63.7 | 0 | 0 | 0 | 0 | 114.2 | H132 I136 | H132-S134 WeakPolarHBondContact CB-OG 3.5Å; H132-S134 PolarHBondContact O-N 3.46Å; S134-I136 VanDerWaalsContact C-N 3.26Å |
| 135 | Q | 95 | Very high | 89.6 | Confident | 21 Ų | 21 | 63.4 Ų | 63.4 | 10% | 0.098 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -77.7 | -13.3 | 174.5 | -69.6 | 176.3 | -78 | 0 | 0 | 112.5 | H132 E133 L155 T156 D158 | H132-Q135 HydrophobicContact CB-CG 3.96Å; H132-Q135 WeakPolarHBondContact O-CB 3.44Å; H132-Q135 PolarHBondContact O-N 3.27Å; E133-Q135 PolarHBondContact O-N 2.88Å; E133-Q135 VanDerWaalsContact O-N 3.15Å; Q135-L155 HydrophobicContact CB-CD1 3.99Å; Q135-L155 CarbonylContact O-C 3.53Å; Q135-L155 VanDerWaalsContact O-CA 3.31Å; Q135-L155 WeakPolarHBondContact O-CA 3.21Å; Q135-T156 WeakPolarHBondContact CB-O 3.3Å; Q135-T156 VanDerWaalsContact CG-O 3.26Å; Q135-T156 WeakPolarHBondContact CG-O 3.41Å; Q135-T156 PolarHBondContact NE2-O 2.95Å; Q135-T156 PolarHBondContact O-N 3.36Å; Q135-D158 PolarHBondContact NE2-OD1 2.82Å |
| 136 | I | 96.8 | Very high | 88.5 | Confident | 15 Ų | 15 | 62.2 Ų | 62.2 | 8% | 0.077 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 114.1 | -170.5 | -56.3 | 168.1 | 0 | 0 | 0 | 109.4 | L131 E133 S134 L138 A153 L155 V167 M211 V213 | L131-I136 HydrophobicContact CB-CD1 4.43Å; L131-I136 HydrophobicContact CD1-CD1 4.4Å; E133-I136 PolarHBondContact O-N 3.32Å; S134-I136 VanDerWaalsContact C-N 3.26Å; I136-L138 HydrophobicContact CG2-CD2 4.05Å; I136-A153 HydrophobicContact CG2-CB 4.04Å; I136-L155 HydrophobicContact CG1-CD1 4.07Å; I136-V167 HydrophobicContact CG2-CG2 3.93Å; I136-M211 HydrophobicContact CD1-SD 4.29Å; I136-M211 HydrophobicContact CG2-SD 4.33Å; I136-V213 HydrophobicContact CD1-CG2 3.62Å; I136-V213 HydrophobicContact CG1-CG2 4.45Å |
| 137 | V | 97 | Very high | 87.6 | Confident | 79 Ų | 79 | 61 Ų | 61 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 109.4 | 173.7 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | A153 E154 | V137-A153 CarbonylContact O-C 3.54Å; V137-A153 WeakPolarHBondContact O-CA 3.47Å; V137-A153 VanDerWaalsContact O-CB 3.25Å; V137-A153 WeakPolarHBondContact O-CB 3.5Å; V137-E154 PolarHBondContact N-O 3.2Å; V137-E154 PolarHBondContact O-N 2.96Å |
| 138 | L | 95.6 | Very high | 87.5 | Confident | 68 Ų | 68 | 59.9 Ų | 59.9 | 36% | 0.356 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 132.9 | 175.5 | -56.1 | -175.7 | 0 | 0 | 0 | 110.1 | I136 W151 A153 V167 | I136-L138 HydrophobicContact CG2-CD2 4.05Å; L138-W151 HydrophobicContact CB-CE3 4.21Å; L138-W151 HydrophobicContact CD1-CD2 4.34Å; L138-W151 HydrophobicContact CD1-CG 4.37Å; L138-W151 HydrophobicContact CD2-CB 4.01Å; L138-W151 HydrophobicContact CD2-CG 4.38Å; L138-A153 HydrophobicContact CD2-CB 3.94Å; L138-V167 HydrophobicContact CD2-CB 4.06Å; L138-V167 HydrophobicContact CD2-CG1 4.09Å; L138-V167 HydrophobicContact CD2-CG2 4.3Å |
| 139 | I | 97.1 | Very high | 87.7 | Confident | 93 Ų | 93 | 54.9 Ų | 54.9 | 48% | 0.477 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | -58.3 | -173.9 | -59 | 169.6 | 0 | 0 | 0 | 111.1 | K152 E154 | I139-K152 WeakPolarHBondContact CB-O 3.49Å; I139-K152 PolarHBondContact N-O 2.94Å; I139-E154 HydrophobicContact CD1-CB 4.08Å |
| 140 | E | 96 | Very high | 88 | Confident | 107 Ų | 107 | 54.2 Ų | 54.2 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 136.1 | -170.6 | -177.7 | -167.2 | 166.5 | 0 | 0 | 110.6 | L142 W151 K152 | E140-L142 PolarHBondContact O-N 2.84Å; E140-W151 VanDerWaalsContact C-CE3 3.42Å; E140-W151 CarbonylContact O-C 3.57Å; E140-W151 WeakPolarHBondContact O-CA 3.36Å; E140-K152 HydrophobicContact CB-CB 4.32Å; E140-K152 PolarHBondContact N-O 2.93Å; E140-K152 PolarHBondContact O-N 3.42Å |
| 141 | K | 95 | Very high | 88.3 | Confident | 76 Ų | 76 | 56.5 Ų | 56.5 | 33% | 0.33 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 115.9 | 173.2 | -174.6 | 172 | 173.4 | 175.2 | 0 | 109.8 | E144 E149 W151 | K141-E144 IonicContact NZ-OE2 3.48Å; K141-E144 PolarHBondContact NZ-OE2 3.11Å; K141-E149 WeakPolarHBondContact CE-OE1 3.42Å; K141-E149 IonicContact NZ-OE1 2.98Å; K141-E149 PolarHBondContact NZ-OE1 3.43Å; K141-W151 HydrophobicContact CB-CD2 4.14Å; K141-W151 HydrophobicContact CB-CE3 4.03Å; K141-W151 HydrophobicContact CB-CH2 3.99Å; K141-W151 HydrophobicContact CB-CZ2 4.09Å; K141-W151 HydrophobicContact CB-CZ3 3.96Å; K141-W151 HydrophobicContact CD-CZ2 4.28Å; K141-W151 HydrophobicContact CG-CZ2 4.4Å |
| 142 | L | 92.2 | Very high | 88.6 | Confident | 73 Ų | 73 | 59 Ų | 59 | 38% | 0.382 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -27.1 | 178.9 | -63.9 | 175.1 | 0 | 0 | 0 | 112.7 | E140 V150 K152 L216 | E140-L142 PolarHBondContact O-N 2.84Å; L142-V150 WeakPolarHBondContact CA-O 3.43Å; L142-V150 HydrophobicContact CB-CG1 4.4Å; L142-V150 WeakPolarHBondContact CB-O 3.36Å; L142-V150 HydrophobicContact CD1-CG1 4.39Å; L142-V150 PolarHBondContact N-O 3.1Å; L142-K152 HydrophobicContact CD1-CB 3.99Å; L142-K152 HydrophobicContact CD2-CB 4.02Å; L142-K152 HydrophobicContact CG-CB 3.96Å; L142-L216 HydrophobicContact CD1-CD1 3.57Å |
| 143 | G | 87.2 | Confident | 89 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.5 | 173.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V150 | G143-V150 PolarHBondContact N-O 2.91Å; G143-V150 PolarHBondContact O-N 2.64Å |
| 144 | E | 83.9 | Confident | 89.4 | Confident | 111 Ų | 111 | 57 Ų | 57 | 52% | 0.519 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 128.1 | 173.9 | -169.2 | 173.1 | 155.5 | 0 | 0 | 108.3 | K141 E149 K171 | K141-E144 IonicContact NZ-OE2 3.48Å; K141-E144 PolarHBondContact NZ-OE2 3.11Å; E144-E149 HydrophobicContact CG-CG 4.48Å; E144-K171 WeakPolarHBondContact OE1-CE 3.49Å; E144-K171 IonicContact OE1-NZ 3.51Å; E144-K171 PolarHBondContact OE1-NZ 3.16Å |
| 145 | G | 67.3 | Low | 89.7 | Confident | 39 Ų | 39 | 52.4 Ų | 52.4 | 40% | 0.402 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | -177.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | F147 G148 | G145-F147 VanDerWaalsContact C-N 3.26Å; G145-F147 PolarHBondContact O-N 3.4Å; G145-G148 PolarHBondContact N-O 2.86Å; G145-G148 PolarHBondContact O-N 3.44Å |
| 146 | Q | 64.7 | Low | 89.8 | Confident | 108 Ų | 108 | 53.5 Ų | 53.5 | 51% | 0.505 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -39.6 | 179.4 | -174.7 | 177.9 | 22.7 | 0 | 0 | 112.6 | ||
| 147 | F | 63.9 | Low | 89.7 | Confident | 15 Ų | 15 | 55.9 Ų | 55.9 | 7% | 0.066 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -7.3 | -172.4 | -54.2 | -64.9 | 0 | 0 | 0 | 114 | G145 L170 K295 | G145-F147 VanDerWaalsContact C-N 3.26Å; G145-F147 PolarHBondContact O-N 3.4Å; F147-L170 WeakPolarHBondContact O-CD2 3.48Å; F147-K295 HydrophobicContact CE1-CD 4.43Å; F147-K295 VanDerWaalsContact CE1-NZ 3.29Å; F147-K295 HydrophobicContact CZ-CD 4.25Å |
| 148 | G | 79.1 | Confident | 89.3 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.3 | -152.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G145 T169 | G145-G148 PolarHBondContact N-O 2.86Å; G145-G148 PolarHBondContact O-N 3.44Å; G148-T169 CarbonylContact C-O 3.53Å; G148-T169 VanDerWaalsContact CA-O 3.25Å; G148-T169 WeakPolarHBondContact CA-O 3.42Å |
| 149 | E | 90.5 | Very high | 89.1 | Confident | 44 Ų | 44 | 61.2 Ų | 61.2 | 21% | 0.206 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 148.8 | -170 | -57.4 | -177.2 | 137.8 | 0 | 0 | 110.4 | K141 E144 W151 K168 T169 | K141-E149 WeakPolarHBondContact CE-OE1 3.42Å; K141-E149 IonicContact NZ-OE1 2.98Å; K141-E149 PolarHBondContact NZ-OE1 3.43Å; E144-E149 HydrophobicContact CG-CG 4.48Å; E149-W151 VanDerWaalsContact CB-NE1 3.29Å; E149-W151 WeakPolarHBondContact OE2-CZ2 3.47Å; E149-W151 PolarHBondContact OE2-NE1 2.84Å; E149-K168 CarbonylContact O-C 3.6Å; E149-K168 VanDerWaalsContact O-CA 3.31Å; E149-K168 WeakPolarHBondContact O-CA 3.34Å; E149-T169 PolarHBondContact N-O 2.99Å; E149-T169 PolarHBondContact O-N 3.38Å |
| 150 | V | 93.4 | Very high | 88.9 | Confident | 42 Ų | 42 | 59.2 Ų | 59.2 | 26% | 0.255 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 124.5 | 172 | -176 | 0 | 0 | 0 | 0 | 107.8 | L142 G143 V167 K168 | L142-V150 WeakPolarHBondContact CA-O 3.43Å; L142-V150 HydrophobicContact CB-CG1 4.4Å; L142-V150 WeakPolarHBondContact CB-O 3.36Å; L142-V150 HydrophobicContact CD1-CG1 4.39Å; L142-V150 PolarHBondContact N-O 3.1Å; G143-V150 PolarHBondContact N-O 2.91Å; G143-V150 PolarHBondContact O-N 2.64Å; V150-V167 CarbonylContact C-O 3.57Å; V150-V167 WeakPolarHBondContact CA-O 3.44Å; V150-K168 HydrophobicContact CG2-CB 4.43Å; V150-K168 HydrophobicContact CG2-CG 4.21Å |
| 151 | W | 96.2 | Very high | 88.9 | Confident | 59 Ų | 59 | 61.3 Ų | 61.3 | 22% | 0.223 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 144.9 | -176.3 | -68.1 | 82.5 | 0 | 0 | 0 | 110.6 | L138 E140 K141 E149 A166 V167 | L138-W151 HydrophobicContact CB-CE3 4.21Å; L138-W151 HydrophobicContact CD1-CD2 4.34Å; L138-W151 HydrophobicContact CD1-CG 4.37Å; L138-W151 HydrophobicContact CD2-CB 4.01Å; L138-W151 HydrophobicContact CD2-CG 4.38Å; E140-W151 VanDerWaalsContact C-CE3 3.42Å; E140-W151 CarbonylContact O-C 3.57Å; E140-W151 WeakPolarHBondContact O-CA 3.36Å; K141-W151 HydrophobicContact CB-CD2 4.14Å; K141-W151 HydrophobicContact CB-CE3 4.03Å; K141-W151 HydrophobicContact CB-CH2 3.99Å; K141-W151 HydrophobicContact CB-CZ2 4.09Å; K141-W151 HydrophobicContact CB-CZ3 3.96Å; K141-W151 HydrophobicContact CD-CZ2 4.28Å; K141-W151 HydrophobicContact CG-CZ2 4.4Å; E149-W151 VanDerWaalsContact CB-NE1 3.29Å; E149-W151 WeakPolarHBondContact OE2-CZ2 3.47Å; E149-W151 PolarHBondContact OE2-NE1 2.84Å; W151-A166 CarbonylContact O-C 3.56Å; W151-A166 VanDerWaalsContact O-CA 3.3Å; W151-A166 WeakPolarHBondContact O-CA 3.36Å; W151-V167 HydrophobicContact CB-CB 4.5Å; W151-V167 PolarHBondContact N-O 3.15Å; W151-V167 PolarHBondContact O-N 2.87Å |
| 152 | K | 97.9 | Very high | 89 | Confident | 66 Ų | 66 | 63.7 Ų | 63.7 | 29% | 0.287 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 134.1 | 156.8 | -179.3 | 177.9 | 178.3 | -173.3 | 0 | 107.2 | I139 E140 L142 V164 L216 | I139-K152 WeakPolarHBondContact CB-O 3.49Å; I139-K152 PolarHBondContact N-O 2.94Å; E140-K152 HydrophobicContact CB-CB 4.32Å; E140-K152 PolarHBondContact N-O 2.93Å; E140-K152 PolarHBondContact O-N 3.42Å; L142-K152 HydrophobicContact CD1-CB 3.99Å; L142-K152 HydrophobicContact CD2-CB 4.02Å; L142-K152 HydrophobicContact CG-CB 3.96Å; K152-V164 HydrophobicContact CD-CG1 4.41Å; K152-V164 HydrophobicContact CG-CG1 3.96Å; K152-L216 HydrophobicContact CD-CD2 4.35Å; K152-L216 HydrophobicContact CG-CD2 4.15Å |
| 153 | A | 98.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 162.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | I136 V137 L138 V164 V165 V167 | I136-A153 HydrophobicContact CG2-CB 4.04Å; V137-A153 CarbonylContact O-C 3.54Å; V137-A153 WeakPolarHBondContact O-CA 3.47Å; V137-A153 VanDerWaalsContact O-CB 3.25Å; V137-A153 WeakPolarHBondContact O-CB 3.5Å; L138-A153 HydrophobicContact CD2-CB 3.94Å; A153-V164 WeakPolarHBondContact O-CA 3.33Å; A153-V165 HydrophobicContact CB-CG2 4.03Å; A153-V165 PolarHBondContact N-O 3.45Å; A153-V165 PolarHBondContact O-N 3.31Å; A153-V167 HydrophobicContact CB-CB 4.39Å; A153-V167 HydrophobicContact CB-CG2 3.5Å; A153-V167 VanDerWaalsContact CB-CG2 3.5Å |
| 154 | E | 98.4 | Very high | 89.8 | Confident | 51 Ų | 51 | 63.5 Ų | 63.5 | 24% | 0.238 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 126.2 | 165.5 | -178.4 | 173.1 | 91.8 | 0 | 0 | 109.2 | V137 I139 K162 | V137-E154 PolarHBondContact N-O 3.2Å; V137-E154 PolarHBondContact O-N 2.96Å; I139-E154 HydrophobicContact CD1-CB 4.08Å; E154-K162 HydrophobicContact CG-CB 4.13Å; E154-K162 HydrophobicContact CG-CD 4.46Å; E154-K162 HydrophobicContact CG-CG 4.26Å; E154-K162 WeakPolarHBondContact OE1-CD 3.41Å; E154-K162 VanDerWaalsContact OE1-CE 3.27Å; E154-K162 WeakPolarHBondContact OE1-CE 3.35Å; E154-K162 IonicContact OE1-NZ 2.76Å; E154-K162 PolarHBondContact OE1-NZ 3.01Å |
| 155 | L | 98.1 | Very high | 90.5 | Very high | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 121.3 | 172.7 | 174.4 | 64.8 | 0 | 0 | 0 | 109.3 | L131 Q135 I136 K157 K162 E163 V165 V213 | L131-L155 HydrophobicContact CD1-CD1 3.88Å; L131-L155 HydrophobicContact CD1-CD2 4.32Å; L131-L155 HydrophobicContact CD2-CD1 4.4Å; Q135-L155 HydrophobicContact CB-CD1 3.99Å; Q135-L155 CarbonylContact O-C 3.53Å; Q135-L155 VanDerWaalsContact O-CA 3.31Å; Q135-L155 WeakPolarHBondContact O-CA 3.21Å; I136-L155 HydrophobicContact CG1-CD1 4.07Å; L155-K157 HydrophobicContact CD2-CG 4.48Å; L155-K157 HydrophobicContact CG-CG 4.49Å; L155-K162 CarbonylContact O-C 3.58Å; L155-K162 WeakPolarHBondContact O-CA 3.27Å; L155-E163 PolarHBondContact N-O 3.23Å; L155-E163 PolarHBondContact O-N 3.21Å; L155-V165 HydrophobicContact CB-CG1 3.99Å; L155-V165 HydrophobicContact CB-CG2 3.87Å; L155-V165 HydrophobicContact CD2-CG1 4.25Å; L155-V213 HydrophobicContact CD2-CG1 4.43Å |
| 156 | T | 97.6 | Very high | 92 | Very high | 43 Ų | 43 | 56.8 Ų | 56.8 | 26% | 0.264 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 108.8 | 169.8 | -56.7 | 0 | 0 | 0 | 0 | 109.4 | Q135 | Q135-T156 WeakPolarHBondContact CB-O 3.3Å; Q135-T156 VanDerWaalsContact CG-O 3.26Å; Q135-T156 WeakPolarHBondContact CG-O 3.41Å; Q135-T156 PolarHBondContact NE2-O 2.95Å; Q135-T156 PolarHBondContact O-N 3.36Å |
| 157 | K | 93.7 | Very high | 93.4 | Very high | 66 Ų | 66 | 51.6 Ų | 51.6 | 29% | 0.287 | 26% | 0.262 | S | S | . | . | trans | -71.6 | 164.9 | 177.6 | -63.8 | -173 | -178.8 | -178.7 | 0 | 111.5 | L155 N159 G160 R161 E163 | L155-K157 HydrophobicContact CD2-CG 4.48Å; L155-K157 HydrophobicContact CG-CG 4.49Å; K157-N159 WeakPolarHBondContact CB-OD1 3.44Å; K157-N159 PolarHBondContact O-N 2.77Å; K157-N159 VanDerWaalsContact O-N 3.13Å; K157-G160 WeakPolarHBondContact O-CA 3.47Å; K157-G160 PolarHBondContact O-N 2.9Å; K157-R161 PolarHBondContact N-O 3.45Å; K157-E163 WeakPolarHBondContact CE-OE2 3.46Å; K157-E163 IonicContact NZ-OE2 2.71Å; K157-E163 PolarHBondContact NZ-OE2 2.92Å | ||
| 158 | D | 88.7 | Confident | 94.8 | Very high | 133 Ų | 133 | 51.7 Ų | 51.7 | 71% | 0.711 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -28.9 | -179.4 | -54.8 | -29 | 0 | 0 | 0 | 113.1 | Q135 G160 | Q135-D158 PolarHBondContact NE2-OD1 2.82Å; D158-G160 PolarHBondContact O-N 3.17Å |
| 159 | N | 91.7 | Very high | 95.4 | Very high | 126 Ų | 126 | 52 Ų | 52 | 67% | 0.674 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 12.3 | 173.7 | 69.7 | -1.4 | 0 | 0 | 0 | 114.1 | K157 R161 | K157-N159 WeakPolarHBondContact CB-OD1 3.44Å; K157-N159 PolarHBondContact O-N 2.77Å; K157-N159 VanDerWaalsContact O-N 3.13Å; N159-R161 PolarHBondContact O-N 3.15Å; N159-R161 WeakPolarHBondContact OD1-CB 3.42Å; N159-R161 PolarHBondContact OD1-N 3.19Å; N159-R161 VanDerWaalsContact OD1-N 3.12Å |
| 160 | G | 93.8 | Very high | 95 | Very high | 51 Ų | 51 | 50.6 Ų | 50.6 | 53% | 0.526 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 76.1 | -5.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | K157 D158 K162 | K157-G160 WeakPolarHBondContact O-CA 3.47Å; K157-G160 PolarHBondContact O-N 2.9Å; D158-G160 PolarHBondContact O-N 3.17Å; G160-K162 PolarHBondContact O-N 2.85Å |
| 161 | R | 96.2 | Very high | 94.1 | Very high | 150 Ų | 150 | 52.9 Ų | 52.9 | 57% | 0.566 | 27% | 0.265 | S | S | * | . | trans | -69.8 | 129.8 | 179.3 | -179.8 | -178.4 | 156.2 | -175.1 | -2.9 | 110.6 | K157 N159 | K157-R161 PolarHBondContact N-O 3.45Å; N159-R161 PolarHBondContact O-N 3.15Å; N159-R161 WeakPolarHBondContact OD1-CB 3.42Å; N159-R161 PolarHBondContact OD1-N 3.19Å; N159-R161 VanDerWaalsContact OD1-N 3.12Å | ||
| 162 | K | 97.3 | Very high | 92.7 | Very high | 126 Ų | 126 | 55.1 Ų | 55.1 | 55% | 0.548 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 138.5 | 171.9 | -66.8 | 173.8 | 167.2 | -140.1 | 0 | 111.5 | E154 L155 G160 | E154-K162 HydrophobicContact CG-CB 4.13Å; E154-K162 HydrophobicContact CG-CD 4.46Å; E154-K162 HydrophobicContact CG-CG 4.26Å; E154-K162 WeakPolarHBondContact OE1-CD 3.41Å; E154-K162 VanDerWaalsContact OE1-CE 3.27Å; E154-K162 WeakPolarHBondContact OE1-CE 3.35Å; E154-K162 IonicContact OE1-NZ 2.76Å; E154-K162 PolarHBondContact OE1-NZ 3.01Å; L155-K162 CarbonylContact O-C 3.58Å; L155-K162 WeakPolarHBondContact O-CA 3.27Å; G160-K162 PolarHBondContact O-N 2.85Å |
| 163 | E | 97.5 | Very high | 91.3 | Very high | 28 Ų | 28 | 55.2 Ų | 55.2 | 13% | 0.131 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 132.4 | 176 | -177.2 | 174.7 | 178.5 | 0 | 0 | 109.6 | L155 K157 V165 K202 | L155-E163 PolarHBondContact N-O 3.23Å; L155-E163 PolarHBondContact O-N 3.21Å; K157-E163 WeakPolarHBondContact CE-OE2 3.46Å; K157-E163 IonicContact NZ-OE2 2.71Å; K157-E163 PolarHBondContact NZ-OE2 2.92Å; E163-V165 HydrophobicContact CG-CG1 4.08Å; E163-K202 VanDerWaalsContact OE1-CE 3.32Å; E163-K202 WeakPolarHBondContact OE1-CE 3.41Å; E163-K202 IonicContact OE1-NZ 3.01Å; E163-K202 PolarHBondContact OE1-NZ 3.04Å; E163-K202 IonicContact OE2-NZ 3.75Å |
| 164 | V | 98.1 | Very high | 89.8 | Confident | 70 Ų | 70 | 62 Ų | 62 | 42% | 0.424 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 128.2 | 173.4 | -172.6 | 0 | 0 | 0 | 0 | 109.3 | K152 A153 L216 | K152-V164 HydrophobicContact CD-CG1 4.41Å; K152-V164 HydrophobicContact CG-CG1 3.96Å; A153-V164 WeakPolarHBondContact O-CA 3.33Å; V164-L216 HydrophobicContact CG1-CD2 3.59Å |
| 165 | V | 98.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 165.6 | -171.7 | -66.5 | 0 | 0 | 0 | 0 | 111.7 | A153 L155 E163 V167 V213 M214 | A153-V165 HydrophobicContact CB-CG2 4.03Å; A153-V165 PolarHBondContact N-O 3.45Å; A153-V165 PolarHBondContact O-N 3.31Å; L155-V165 HydrophobicContact CB-CG1 3.99Å; L155-V165 HydrophobicContact CB-CG2 3.87Å; L155-V165 HydrophobicContact CD2-CG1 4.25Å; E163-V165 HydrophobicContact CG-CG1 4.08Å; V165-V167 HydrophobicContact CG2-CG2 4.06Å; V165-V213 HydrophobicContact CB-CG1 3.84Å; V165-V213 HydrophobicContact CG1-CG1 4.11Å; V165-V213 HydrophobicContact CG2-CG1 3.71Å; V165-M214 WeakPolarHBondContact CB-O 3.32Å |
| 166 | A | 97.6 | Very high | 87.4 | Confident | 9 Ų | 9 | 63.7 Ų | 63.7 | 7% | 0.074 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 135.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | W151 M214 L216 | W151-A166 CarbonylContact O-C 3.56Å; W151-A166 VanDerWaalsContact O-CA 3.3Å; W151-A166 WeakPolarHBondContact O-CA 3.36Å; A166-M214 PolarHBondContact N-O 2.86Å; A166-M214 PolarHBondContact O-N 3.14Å; A166-L216 HydrophobicContact CB-CD1 4.02Å |
| 167 | V | 95.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 115.9 | -178.9 | -178 | 0 | 0 | 0 | 0 | 108.7 | I136 L138 V150 W151 A153 V165 T169 M211 L212 V213 | I136-V167 HydrophobicContact CG2-CG2 3.93Å; L138-V167 HydrophobicContact CD2-CB 4.06Å; L138-V167 HydrophobicContact CD2-CG1 4.09Å; L138-V167 HydrophobicContact CD2-CG2 4.3Å; V150-V167 CarbonylContact C-O 3.57Å; V150-V167 WeakPolarHBondContact CA-O 3.44Å; W151-V167 HydrophobicContact CB-CB 4.5Å; W151-V167 PolarHBondContact N-O 3.15Å; W151-V167 PolarHBondContact O-N 2.87Å; A153-V167 HydrophobicContact CB-CB 4.39Å; A153-V167 HydrophobicContact CB-CG2 3.5Å; A153-V167 VanDerWaalsContact CB-CG2 3.5Å; V165-V167 HydrophobicContact CG2-CG2 4.06Å; V167-T169 HydrophobicContact CG1-CG2 3.83Å; V167-M211 HydrophobicContact CG1-CB 3.76Å; V167-M211 HydrophobicContact CG1-CG 4.23Å; V167-M211 HydrophobicContact CG1-SD 3.94Å; V167-L212 WeakPolarHBondContact CA-O 3.28Å; V167-V213 HydrophobicContact CG2-CG1 4.3Å; V167-V213 HydrophobicContact CG2-CG2 4.29Å |
| 168 | K | 93.5 | Very high | 85.6 | Confident | 16 Ų | 16 | 70.8 Ų | 70.8 | 7% | 0.07 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 129.4 | 170.6 | -171.4 | 175.5 | 178.2 | -177.3 | 0 | 108.1 | E149 V150 F183 E186 M211 L212 M214 D277 | E149-K168 CarbonylContact O-C 3.6Å; E149-K168 VanDerWaalsContact O-CA 3.31Å; E149-K168 WeakPolarHBondContact O-CA 3.34Å; V150-K168 HydrophobicContact CG2-CB 4.43Å; V150-K168 HydrophobicContact CG2-CG 4.21Å; K168-F183 HydrophobicContact CB-CE2 4.31Å; K168-F183 HydrophobicContact CB-CZ 4.48Å; K168-F183 HydrophobicContact CD-CE2 3.99Å; K168-F183 HydrophobicContact CG-CE2 3.84Å; K168-F183 HydrophobicContact CG-CZ 4.41Å; K168-F183 WeakPolarHBondContact O-CZ 3.22Å; K168-E186 IonicContact NZ-OE1 2.69Å; K168-E186 PolarHBondContact NZ-OE1 3.4Å; K168-E186 IonicContact NZ-OE2 3.99Å; K168-E186 PolarHBondContact NZ-OE2 2.87Å; K168-M211 WeakPolarHBondContact O-CA 3.43Å; K168-L212 HydrophobicContact CB-CB 4.29Å; K168-L212 PolarHBondContact N-O 2.8Å; K168-L212 PolarHBondContact O-N 3.16Å; K168-M214 HydrophobicContact CB-CE 3.87Å; K168-D277 IonicContact NZ-OD1 3.37Å; K168-D277 PolarHBondContact NZ-OD1 2.69Å |
| 169 | T | 90.2 | Very high | 85 | Confident | 9 Ų | 9 | 67.8 Ų | 67.8 | 6% | 0.055 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 153.6 | 178.2 | 62.7 | 0 | 0 | 0 | 0 | 109.4 | G148 E149 V167 M211 | G148-T169 CarbonylContact C-O 3.53Å; G148-T169 VanDerWaalsContact CA-O 3.25Å; G148-T169 WeakPolarHBondContact CA-O 3.42Å; E149-T169 PolarHBondContact N-O 2.99Å; E149-T169 PolarHBondContact O-N 3.38Å; V167-T169 HydrophobicContact CG1-CG2 3.83Å; T169-M211 HydrophobicContact CG2-CB 4.33Å; T169-M211 HydrophobicContact CG2-CG 3.84Å; T169-M211 HydrophobicContact CG2-SD 4.2Å |
| 170 | L | 83.1 | Confident | 84.4 | Confident | 13 Ų | 13 | 63.4 Ų | 63.4 | 7% | 0.068 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 154.4 | 164.9 | -68.3 | 169 | 0 | 0 | 0 | 109.8 | F147 V175 Q180 F183 I210 | F147-L170 WeakPolarHBondContact O-CD2 3.48Å; L170-V175 HydrophobicContact CB-CG2 4.01Å; L170-V175 HydrophobicContact CD1-CG1 4.16Å; L170-V175 HydrophobicContact CD2-CG1 4.17Å; L170-Q180 HydrophobicContact CD1-CB 4.42Å; L170-Q180 HydrophobicContact CD1-CG 3.91Å; L170-F183 HydrophobicContact CD1-CB 4.28Å; L170-F183 HydrophobicContact CD1-CD1 4.01Å; L170-F183 HydrophobicContact CD1-CG 4.36Å; L170-F183 HydrophobicContact CD2-CB 3.75Å; L170-F183 HydrophobicContact CD2-CD1 4.23Å; L170-F183 HydrophobicContact CD2-CD2 4.33Å; L170-F183 HydrophobicContact CD2-CG 3.85Å; L170-F183 HydrophobicContact CG-CB 4.18Å; L170-F183 HydrophobicContact CG-CD1 3.79Å; L170-F183 HydrophobicContact CG-CE1 4.35Å; L170-F183 HydrophobicContact CG-CG 3.94Å; L170-I210 HydrophobicContact CD1-CD1 4.1Å |
| 171 | K | 73.5 | Confident | 83.7 | Confident | 90 Ų | 90 | 66.1 Ų | 66.1 | 39% | 0.391 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -57 | 145.3 | 176 | -63.1 | -167.2 | 172.8 | -165.4 | 0 | 111.2 | E144 V175 | E144-K171 WeakPolarHBondContact OE1-CE 3.49Å; E144-K171 IonicContact OE1-NZ 3.51Å; E144-K171 PolarHBondContact OE1-NZ 3.16Å; K171-V175 WeakPolarHBondContact O-CG2 3.45Å |
| 172 | A | 67.3 | Low | 83 | Confident | 106 Ų | 106 | 59.4 Ų | 59.4 | 88% | 0.876 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -62 | 138.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 173 | G | 67.9 | Low | 82.4 | Confident | 68 Ų | 68 | 53.5 Ų | 53.5 | 70% | 0.701 | 31% | 0.309 | S | S | * | . | S | Bend | trans | 110.4 | -162 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | V175 | G173-V175 PolarHBondContact O-N 3.04Š|
| 174 | E | 67.5 | Low | 81.7 | Confident | 142 Ų | 142 | 53.1 Ų | 53.1 | 66% | 0.664 | 31% | 0.307 | S | S | * | . | trans | -75.4 | 94.1 | 179.2 | -73.8 | -176.5 | -178.8 | 0 | 0 | 111 | ||||
| 175 | V | 69.8 | Low | 81.1 | Confident | 22 Ų | 22 | 51.5 Ų | 51.5 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | trans | -80.7 | 130.4 | 174.7 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | L170 K171 G173 E179 Q180 | L170-V175 HydrophobicContact CB-CG2 4.01Å; L170-V175 HydrophobicContact CD1-CG1 4.16Å; L170-V175 HydrophobicContact CD2-CG1 4.17Å; K171-V175 WeakPolarHBondContact O-CG2 3.45Å; G173-V175 PolarHBondContact O-N 3.04Å; V175-E179 HydrophobicContact CG1-CB 3.67Å; V175-Q180 HydrophobicContact CB-CG 4.11Å; V175-Q180 HydrophobicContact CG1-CG 3.94Å; V175-Q180 PolarHBondContact O-NE2 3.31Å | ||
| 176 | P | 76.4 | Confident | 80.5 | Confident | 69 Ų | 69 | 51.6 Ų | 51.6 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | trans | -54.5 | 143 | 176.3 | -27.4 | 35.1 | 0 | 0 | 0 | 113 | A178 E179 Q180 | P176-A178 PolarHBondContact O-N 3.36Å; P176-A178 VanDerWaalsContact O-N 3.12Å; P176-E179 HydrophobicContact CB-CG 4.43Å; P176-E179 PolarHBondContact O-N 2.99Å; P176-Q180 PolarHBondContact O-N 3.3Å; P176-Q180 VanDerWaalsContact O-N 3.08Å | ||
| 177 | K | 76.4 | Confident | 80.1 | Confident | 180 Ų | 180 | 51.6 Ų | 51.6 | 78% | 0.783 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -54.5 | -35.3 | 178.9 | -72.9 | -177.7 | -179.4 | 172.1 | 0 | 112.9 | E179 Q180 K181 | K177-E179 VanDerWaalsContact C-N 3.34Å; K177-Q180 PolarHBondContact O-N 2.76Å; K177-K181 WeakPolarHBondContact O-CB 3.45Å; K177-K181 PolarHBondContact O-N 3.22Å |
| 178 | A | 76.9 | Confident | 79.7 | Confident | 78 Ų | 78 | 53.4 Ų | 53.4 | 65% | 0.645 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.7 | -35.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P176 S182 | P176-A178 PolarHBondContact O-N 3.36Å; P176-A178 VanDerWaalsContact O-N 3.12Å; A178-S182 WeakPolarHBondContact O-CB 3.34Å; A178-S182 PolarHBondContact O-N 2.7Å |
| 179 | E | 77.1 | Confident | 79.5 | Confident | 70 Ų | 70 | 53.6 Ų | 53.6 | 33% | 0.327 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -74.1 | -44.2 | 176.3 | -72.5 | 179.7 | -150.7 | 0 | 0 | 111.3 | V175 P176 K177 K181 S182 F183 | V175-E179 HydrophobicContact CG1-CB 3.67Å; P176-E179 HydrophobicContact CB-CG 4.43Å; P176-E179 PolarHBondContact O-N 2.99Å; K177-E179 VanDerWaalsContact C-N 3.34Å; E179-K181 VanDerWaalsContact C-N 3.32Å; E179-K181 PolarHBondContact O-N 3.17Å; E179-S182 WeakPolarHBondContact O-CB 3.28Å; E179-S182 PolarHBondContact O-N 2.91Å; E179-S182 VanDerWaalsContact O-N 3.12Å; E179-F183 WeakPolarHBondContact O-CB 3.44Å; E179-F183 PolarHBondContact O-N 3.04Å |
| 180 | Q | 77.9 | Confident | 79.5 | Confident | 35 Ų | 35 | 53.2 Ų | 53.2 | 16% | 0.164 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.8 | -48.7 | 172.8 | -69 | 176.1 | 43.1 | 0 | 0 | 111.1 | L170 V175 P176 K177 S182 F183 F184 | L170-Q180 HydrophobicContact CD1-CB 4.42Å; L170-Q180 HydrophobicContact CD1-CG 3.91Å; V175-Q180 HydrophobicContact CB-CG 4.11Å; V175-Q180 HydrophobicContact CG1-CG 3.94Å; V175-Q180 PolarHBondContact O-NE2 3.31Å; P176-Q180 PolarHBondContact O-N 3.3Å; P176-Q180 VanDerWaalsContact O-N 3.08Å; K177-Q180 PolarHBondContact O-N 2.76Å; Q180-S182 PolarHBondContact O-N 3.42Å; Q180-F183 PolarHBondContact O-N 3.48Å; Q180-F184 VanDerWaalsContact O-CD2 3.3Å; Q180-F184 WeakPolarHBondContact O-CD2 3.35Å; Q180-F184 PolarHBondContact O-N 3.41Å |
| 181 | K | 80.5 | Confident | 79.9 | Confident | 108 Ų | 108 | 57.1 Ų | 57.1 | 47% | 0.47 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 176 | -179.3 | 167.9 | -178.2 | 152.5 | 0 | 111.8 | E39 K177 E179 F183 F184 D185 | E39-K181 IonicContact OE1-NZ 3.59Å; K177-K181 WeakPolarHBondContact O-CB 3.45Å; K177-K181 PolarHBondContact O-N 3.22Å; E179-K181 VanDerWaalsContact C-N 3.32Å; E179-K181 PolarHBondContact O-N 3.17Å; K181-F183 VanDerWaalsContact C-N 3.25Å; K181-F183 PolarHBondContact O-N 3.39Å; K181-F184 PolarHBondContact O-N 2.85Å; K181-D185 VanDerWaalsContact O-CG 3.25Å; K181-D185 PolarHBondContact O-N 3.31Å |
| 182 | S | 80.6 | Confident | 80.7 | Confident | 8 Ų | 8 | 58.5 Ų | 58.5 | 6% | 0.056 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.7 | -34.7 | 179.1 | -173.4 | 0 | 0 | 0 | 0 | 113 | A178 E179 Q180 E186 K295 | A178-S182 WeakPolarHBondContact O-CB 3.34Å; A178-S182 PolarHBondContact O-N 2.7Å; E179-S182 WeakPolarHBondContact O-CB 3.28Å; E179-S182 PolarHBondContact O-N 2.91Å; E179-S182 VanDerWaalsContact O-N 3.12Å; Q180-S182 PolarHBondContact O-N 3.42Å; S182-E186 PolarHBondContact O-N 3.19Å; S182-E186 VanDerWaalsContact O-N 3.1Å; S182-K295 PolarHBondContact OG-NZ 3.45Å |
| 183 | F | 83.6 | Confident | 82 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.009 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -73.8 | -40.7 | 178.1 | -172.7 | -113.7 | 0 | 0 | 0 | 111.6 | K168 L170 E179 Q180 K181 D185 E186 C187 I210 L212 | K168-F183 HydrophobicContact CB-CE2 4.31Å; K168-F183 HydrophobicContact CB-CZ 4.48Å; K168-F183 HydrophobicContact CD-CE2 3.99Å; K168-F183 HydrophobicContact CG-CE2 3.84Å; K168-F183 HydrophobicContact CG-CZ 4.41Å; K168-F183 WeakPolarHBondContact O-CZ 3.22Å; L170-F183 HydrophobicContact CD1-CB 4.28Å; L170-F183 HydrophobicContact CD1-CD1 4.01Å; L170-F183 HydrophobicContact CD1-CG 4.36Å; L170-F183 HydrophobicContact CD2-CB 3.75Å; L170-F183 HydrophobicContact CD2-CD1 4.23Å; L170-F183 HydrophobicContact CD2-CD2 4.33Å; L170-F183 HydrophobicContact CD2-CG 3.85Å; L170-F183 HydrophobicContact CG-CB 4.18Å; L170-F183 HydrophobicContact CG-CD1 3.79Å; L170-F183 HydrophobicContact CG-CE1 4.35Å; L170-F183 HydrophobicContact CG-CG 3.94Å; E179-F183 WeakPolarHBondContact O-CB 3.44Å; E179-F183 PolarHBondContact O-N 3.04Å; Q180-F183 PolarHBondContact O-N 3.48Å; K181-F183 VanDerWaalsContact C-N 3.25Å; K181-F183 PolarHBondContact O-N 3.39Å; F183-D185 VanDerWaalsContact C-N 3.34Å; F183-D185 PolarHBondContact O-N 3.35Å; F183-E186 WeakPolarHBondContact O-CB 3.3Å; F183-E186 PolarHBondContact O-N 3Å; F183-E186 VanDerWaalsContact O-N 3.14Å; F183-C187 PolarHBondContact O-N 3.15Å; F183-C187 PolarHBondContact O-SG 2.95Å; F183-C187 VanDerWaalsContact O-SG 3.33Å; F183-I210 HydrophobicContact CD1-CB 4.01Å; F183-I210 HydrophobicContact CD1-CG2 3.57Å; F183-I210 HydrophobicContact CE1-CB 3.91Å; F183-I210 HydrophobicContact CE1-CG2 3.46Å; F183-I210 VanDerWaalsContact CE1-CG2 3.46Å; F183-I210 WeakPolarHBondContact CE1-O 3.4Å; F183-L212 HydrophobicContact CE2-CB 4.15Å; F183-L212 HydrophobicContact CZ-CB 3.65Å |
| 184 | F | 84.6 | Confident | 83.3 | Confident | 21 Ų | 21 | 60.3 Ų | 60.3 | 9% | 0.092 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 169.6 | -85.6 | -66.8 | 0 | 0 | 0 | 112.6 | L35 P37 Q180 K181 E186 C187 R188 L206 I210 | L35-F184 HydrophobicContact CB-CZ 4.49Å; L35-F184 VanDerWaalsContact O-CZ 3.32Å; L35-F184 WeakPolarHBondContact O-CZ 3.41Å; P37-F184 HydrophobicContact CG-CB 4.37Å; P37-F184 HydrophobicContact CG-CD1 3.54Å; P37-F184 HydrophobicContact CG-CD2 3.73Å; P37-F184 HydrophobicContact CG-CE1 3.57Å; P37-F184 HydrophobicContact CG-CE2 3.72Å; P37-F184 HydrophobicContact CG-CG 3.63Å; P37-F184 HydrophobicContact CG-CZ 3.66Å; Q180-F184 VanDerWaalsContact O-CD2 3.3Å; Q180-F184 WeakPolarHBondContact O-CD2 3.35Å; Q180-F184 PolarHBondContact O-N 3.41Å; K181-F184 PolarHBondContact O-N 2.85Å; F184-E186 PolarHBondContact O-N 3.37Å; F184-C187 WeakPolarHBondContact O-CB 3.45Å; F184-C187 PolarHBondContact O-N 2.99Å; F184-R188 WeakPolarHBondContact O-CG 3.41Å; F184-R188 PolarHBondContact O-N 3.28Å; F184-L206 HydrophobicContact CE1-CD1 4.49Å; F184-L206 HydrophobicContact CE1-CD2 3.55Å; F184-L206 HydrophobicContact CZ-CD2 4.08Å; F184-I210 HydrophobicContact CD2-CD1 3.91Å; F184-I210 HydrophobicContact CE1-CD1 4.3Å; F184-I210 HydrophobicContact CE1-CG1 4.44Å; F184-I210 HydrophobicContact CE1-CG2 4.05Å; F184-I210 HydrophobicContact CE2-CD1 3.13Å; F184-I210 HydrophobicContact CE2-CG1 4.03Å; F184-I210 HydrophobicContact CZ-CD1 3.36Å; F184-I210 HydrophobicContact CZ-CG1 3.71Å; F184-I210 HydrophobicContact CZ-CG2 4.12Å |
| 185 | D | 83.9 | Confident | 84.8 | Confident | 35 Ų | 35 | 55.9 Ų | 55.9 | 19% | 0.187 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.9 | -34.6 | 176.2 | -70 | -20.6 | 0 | 0 | 0 | 111.8 | K181 F183 R188 R189 | K181-D185 VanDerWaalsContact O-CG 3.25Å; K181-D185 PolarHBondContact O-N 3.31Å; F183-D185 VanDerWaalsContact C-N 3.34Å; F183-D185 PolarHBondContact O-N 3.35Å; D185-R188 IonicContact OD1-NH1 2.69Å; D185-R188 PolarHBondContact OD1-NH1 3.04Å; D185-R189 WeakPolarHBondContact O-CG 3.43Å; D185-R189 VanDerWaalsContact O-CZ 3.28Å; D185-R189 PolarHBondContact O-N 3.24Å; D185-R189 VanDerWaalsContact O-N 3.17Å; D185-R189 PolarHBondContact O-NH1 3.16Å |
| 186 | E | 87.5 | Confident | 86.1 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.6 | -49.7 | 172.5 | -175.3 | -178.6 | 163.6 | 0 | 0 | 111.4 | K168 S182 F183 F184 R188 R189 Q190 L212 | K168-E186 IonicContact NZ-OE1 2.69Å; K168-E186 PolarHBondContact NZ-OE1 3.4Å; K168-E186 IonicContact NZ-OE2 3.99Å; K168-E186 PolarHBondContact NZ-OE2 2.87Å; S182-E186 PolarHBondContact O-N 3.19Å; S182-E186 VanDerWaalsContact O-N 3.1Å; F183-E186 WeakPolarHBondContact O-CB 3.3Å; F183-E186 PolarHBondContact O-N 3Å; F183-E186 VanDerWaalsContact O-N 3.14Å; F184-E186 PolarHBondContact O-N 3.37Å; E186-R188 VanDerWaalsContact C-N 3.31Å; E186-R188 PolarHBondContact O-N 3.33Å; E186-R189 PolarHBondContact O-N 3.46Å; E186-Q190 WeakPolarHBondContact O-CB 3.48Å; E186-Q190 PolarHBondContact O-N 3.04Å; E186-L212 HydrophobicContact CG-CD2 4.28Å |
| 187 | C | 88.5 | Confident | 87.2 | Confident | 8 Ų | 8 | 56 Ų | 56 | 5% | 0.054 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.1 | -46 | 176.5 | -66.5 | 0 | 0 | 0 | 0 | 112 | F183 F184 Q190 R191 V204 | F183-C187 PolarHBondContact O-N 3.15Å; F183-C187 PolarHBondContact O-SG 2.95Å; F183-C187 VanDerWaalsContact O-SG 3.33Å; F184-C187 WeakPolarHBondContact O-CB 3.45Å; F184-C187 PolarHBondContact O-N 2.99Å; C187-Q190 PolarHBondContact O-N 3.44Å; C187-R191 VanDerWaalsContact O-CB 3.3Å; C187-R191 WeakPolarHBondContact O-CB 3.29Å; C187-R191 PolarHBondContact O-N 2.79Å; C187-V204 HydrophobicContact CB-CG1 3.87Å |
| 188 | R | 87.4 | Confident | 88.2 | Confident | 39 Ų | 39 | 47.6 Ų | 47.6 | 15% | 0.147 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -47.5 | 178.5 | -70.1 | 169.2 | -172.1 | 164.5 | -13.3 | 111.7 | E39 D40 F184 D185 E186 R191 Q192 | E39-R188 IonicContact OE2-CZ 3.15Å; E39-R188 IonicContact OE2-NH1 2.74Å; E39-R188 PolarHBondContact OE2-NH1 3.09Å; E39-R188 IonicContact OE2-NH2 3.56Å; E39-R188 PolarHBondContact OE2-NH2 3.26Å; D40-R188 VanDerWaalsContact CG-NE 3.28Å; D40-R188 VanDerWaalsContact CG-NH2 3.33Å; D40-R188 IonicContact OD1-CZ 3.31Å; D40-R188 IonicContact OD1-NE 3.75Å; D40-R188 PolarHBondContact OD1-NE 2.87Å; D40-R188 IonicContact OD1-NH2 2.76Å; D40-R188 IonicContact OD2-CZ 2.85Å; D40-R188 VanDerWaalsContact OD2-CZ 3.25Å; D40-R188 IonicContact OD2-NE 3.7Å; D40-R188 PolarHBondContact OD2-NE 3.39Å; D40-R188 IonicContact OD2-NH2 3.81Å; D40-R188 PolarHBondContact OD2-NH2 3.49Å; F184-R188 WeakPolarHBondContact O-CG 3.41Å; F184-R188 PolarHBondContact O-N 3.28Å; D185-R188 IonicContact OD1-NH1 2.69Å; D185-R188 PolarHBondContact OD1-NH1 3.04Å; E186-R188 VanDerWaalsContact C-N 3.31Å; E186-R188 PolarHBondContact O-N 3.33Å; R188-R191 PolarHBondContact O-N 3.08Å; R188-Q192 WeakPolarHBondContact O-CG 3.45Å; R188-Q192 PolarHBondContact O-N 3.45Å |
| 189 | R | 88.8 | Confident | 89.2 | Confident | 19 Ų | 19 | 44.1 Ų | 44.1 | 7% | 0.072 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.7 | -50.1 | 177.4 | -76.6 | -171.2 | -64.3 | -83.1 | -2.5 | 111.4 | D185 E186 R191 Q192 L193 L278 G279 A281 | D185-R189 WeakPolarHBondContact O-CG 3.43Å; D185-R189 VanDerWaalsContact O-CZ 3.28Å; D185-R189 PolarHBondContact O-N 3.24Å; D185-R189 VanDerWaalsContact O-N 3.17Å; D185-R189 PolarHBondContact O-NH1 3.16Å; E186-R189 PolarHBondContact O-N 3.46Å; R189-R191 PolarHBondContact O-N 2.81Å; R189-Q192 PolarHBondContact O-N 3.16Å; R189-Q192 VanDerWaalsContact O-N 3.09Å; R189-L193 WeakPolarHBondContact O-CD1 3.39Å; R189-L193 WeakPolarHBondContact O-CG 3.3Å; R189-L193 PolarHBondContact O-N 2.95Å; R189-L278 HydrophobicContact CB-CD1 4.48Å; R189-L278 VanDerWaalsContact CZ-O 3.26Å; R189-L278 PolarHBondContact NE-O 3.47Å; R189-L278 PolarHBondContact NH2-O 3.37Å; R189-G279 PolarHBondContact NH2-O 2.91Å; R189-A281 WeakPolarHBondContact CD-O 3.39Å; R189-A281 PolarHBondContact NE-O 3.12Å; R189-A281 VanDerWaalsContact NE-O 3.1Å; R189-A281 PolarHBondContact NH1-O 3.01Å; R189-A281 VanDerWaalsContact NH1-O 3.11Å |
| 190 | Q | 91 | Very high | 90.1 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.7 | -36.6 | -178.3 | -159 | 73 | 32.8 | 0 | 0 | 111.6 | E186 C187 Q192 L193 V199 F201 L278 | E186-Q190 WeakPolarHBondContact O-CB 3.48Å; E186-Q190 PolarHBondContact O-N 3.04Å; C187-Q190 PolarHBondContact O-N 3.44Å; Q190-Q192 VanDerWaalsContact C-N 3.32Å; Q190-Q192 PolarHBondContact O-N 3.01Å; Q190-L193 PolarHBondContact O-N 3.44Å; Q190-V199 PolarHBondContact NE2-O 3.45Å; Q190-F201 HydrophobicContact CB-CD2 4.29Å; Q190-F201 HydrophobicContact CG-CB 4.09Å; Q190-F201 HydrophobicContact CG-CD2 4.33Å; Q190-F201 WeakPolarHBondContact O-CB 3.41Å; Q190-L278 VanDerWaalsContact OE1-CG 3.23Å |
| 191 | R | 90.9 | Very high | 90.9 | Very high | 95 Ų | 95 | 42.2 Ų | 42.2 | 36% | 0.358 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.5 | -35.4 | 176.2 | -176.9 | 178.2 | 71.2 | 122.1 | -1.3 | 113.2 | C187 R188 R189 L193 F201 | C187-R191 VanDerWaalsContact O-CB 3.3Å; C187-R191 WeakPolarHBondContact O-CB 3.29Å; C187-R191 PolarHBondContact O-N 2.79Å; R188-R191 PolarHBondContact O-N 3.08Å; R189-R191 PolarHBondContact O-N 2.81Å; R191-L193 VanDerWaalsContact C-N 3.34Å; R191-F201 HydrophobicContact CB-CD1 4.13Å; R191-F201 HydrophobicContact CB-CD2 4.31Å; R191-F201 HydrophobicContact CB-CE1 3.94Å; R191-F201 HydrophobicContact CB-CE2 4.14Å; R191-F201 HydrophobicContact CB-CG 4.31Å; R191-F201 HydrophobicContact CB-CZ 3.94Å; R191-F201 HydrophobicContact CG-CD1 4.1Å; R191-F201 HydrophobicContact CG-CE1 3.68Å; R191-F201 HydrophobicContact CG-CZ 4.01Å |
| 192 | Q | 90.3 | Very high | 91.7 | Very high | 118 Ų | 118 | 39.8 Ų | 39.8 | 55% | 0.551 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -80 | -17.5 | -177.3 | -69.2 | 167.4 | -2.5 | 0 | 0 | 113.1 | R188 R189 Q190 | R188-Q192 WeakPolarHBondContact O-CG 3.45Å; R188-Q192 PolarHBondContact O-N 3.45Å; R189-Q192 PolarHBondContact O-N 3.16Å; R189-Q192 VanDerWaalsContact O-N 3.09Å; Q190-Q192 VanDerWaalsContact C-N 3.32Å; Q190-Q192 PolarHBondContact O-N 3.01Å |
| 193 | L | 94.3 | Very high | 92.3 | Very high | 11 Ų | 11 | 39.4 Ų | 39.4 | 6% | 0.058 | 17% | 0.171 | C | C | . | . | trans | -108.1 | 121.2 | -169.3 | -65.3 | 168.5 | 0 | 0 | 0 | 111.1 | R189 Q190 R191 L198 Y250 L251 E254 L278 | R189-L193 WeakPolarHBondContact O-CD1 3.39Å; R189-L193 WeakPolarHBondContact O-CG 3.3Å; R189-L193 PolarHBondContact O-N 2.95Å; Q190-L193 PolarHBondContact O-N 3.44Å; R191-L193 VanDerWaalsContact C-N 3.34Å; L193-L198 HydrophobicContact CB-CD1 4.04Å; L193-Y250 HydrophobicContact CB-CE1 4.15Å; L193-Y250 HydrophobicContact CD2-CE1 3.83Å; L193-L251 HydrophobicContact CD1-CD2 3.74Å; L193-L251 HydrophobicContact CD2-CD2 4.14Å; L193-L251 HydrophobicContact CG-CD2 4.48Å; L193-E254 HydrophobicContact CD2-CB 3.76Å; L193-E254 HydrophobicContact CD2-CG 3.71Å; L193-L278 HydrophobicContact CD1-CD1 3.29Å | ||
| 194 | R | 95.8 | Very high | 92.8 | Very high | 201 Ų | 201 | 39.7 Ų | 39.7 | 76% | 0.758 | 17% | 0.173 | S | C | * | . | trans | -135.5 | 107.9 | -179.7 | -172 | 173.5 | -179.5 | 169.9 | -2.3 | 111.4 | Y250 | R194-Y250 PolarHBondContact N-OH 3.47Š| ||
| 195 | H | 98.1 | Very high | 93.1 | Very high | 50 Ų | 50 | 38.7 Ų | 38.7 | 23% | 0.231 | 17% | 0.168 | C | C | . | . | trans | -154.1 | 149.8 | 177.9 | -179.2 | -106.1 | 0 | 0 | 0 | 111.3 | H197 L198 R246 Y250 | H195-H197 AromaticContact CE1-CD2 3.6Å; H195-H197 PolarHBondContact ND1-N 3.24Å; H195-H197 PolarHBondContact O-N 3.48Å; H195-H197 VanDerWaalsContact O-N 3.16Å; H195-L198 HydrophobicContact CB-CB 4.49Å; H195-L198 HydrophobicContact CB-CD1 4.21Å; H195-L198 HydrophobicContact CB-CG 4.05Å; H195-L198 PolarHBondContact O-N 3.02Å; H195-R246 PolarHBondContact CE1-O 3.1Å; H195-Y250 HydrophobicContact CB-CD1 3.4Å; H195-Y250 VanDerWaalsContact CB-CD1 3.4Å; H195-Y250 HydrophobicContact CB-CD2 4.39Å; H195-Y250 HydrophobicContact CB-CE1 3.73Å; H195-Y250 HydrophobicContact CB-CG 3.75Å; H195-Y250 AromaticContact CG-CD1 3.98Å; H195-Y250 AromaticContact CG-CG 3.9Å | ||
| 196 | Q | 97.9 | Very high | 93.2 | Very high | 91 Ų | 91 | 37.2 Ų | 37.2 | 43% | 0.425 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24.9 | -174.9 | 62.9 | 176.1 | -13.5 | 0 | 0 | 114.2 | K274 | Q196-K274 WeakPolarHBondContact O-CE 3.07Å; Q196-K274 PolarHBondContact O-NZ 2.82Å |
| 197 | H | 98.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 17 | 177 | -59.8 | -56.3 | 0 | 0 | 0 | 113.3 | H195 H243 L273 K274 I275 | H195-H197 AromaticContact CE1-CD2 3.6Å; H195-H197 PolarHBondContact ND1-N 3.24Å; H195-H197 PolarHBondContact O-N 3.48Å; H195-H197 VanDerWaalsContact O-N 3.16Å; H197-H243 WeakPolarHBondContact CB-O 3.4Å; H197-H243 PolarHBondContact CD2-O 3.43Å; H197-H243 AromaticContact CE1-CD2 3.2Å; H197-H243 PolarHBondContact CE1-CD2 2.81Å; H197-H243 AromaticContact CE1-CG 3.42Å; H197-H243 VanDerWaalsContact CE1-CG 3.42Å; H197-H243 AromaticContact CE1-NE2 3.92Å; H197-H243 WeakPolarHBondContact ND1-CB 3.28Å; H197-H243 AromaticContact ND1-CD2 3.97Å; H197-H243 AromaticContact ND1-CG 3.73Å; H197-H243 AromaticContact NE2-CD2 3.77Å; H197-L273 PolarHBondContact ND1-O 3.46Å; H197-L273 VanDerWaalsContact ND1-O 3.12Å; H197-K274 CarbonylContact O-C 3.51Å; H197-K274 WeakPolarHBondContact O-CA 3.25Å; H197-I275 PolarHBondContact O-N 3.44Å |
| 198 | L | 98.2 | Very high | 92.5 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -114.2 | 155 | 164 | -59.3 | -174.3 | 0 | 0 | 0 | 109.2 | L193 H195 N200 Y250 L251 K274 I275 | L193-L198 HydrophobicContact CB-CD1 4.04Å; H195-L198 HydrophobicContact CB-CB 4.49Å; H195-L198 HydrophobicContact CB-CD1 4.21Å; H195-L198 HydrophobicContact CB-CG 4.05Å; H195-L198 PolarHBondContact O-N 3.02Å; L198-N200 PolarHBondContact O-N 3.46Å; L198-Y250 HydrophobicContact CD1-CD1 3.62Å; L198-Y250 HydrophobicContact CD1-CE1 3.69Å; L198-Y250 HydrophobicContact CG-CD1 4.4Å; L198-L251 HydrophobicContact CD1-CD2 3.78Å; L198-L251 HydrophobicContact CD1-CG 4.25Å; L198-L251 HydrophobicContact CD2-CD1 4.04Å; L198-L251 HydrophobicContact CD2-CD2 4.39Å; L198-L251 HydrophobicContact CD2-CG 4.15Å; L198-K274 PolarHBondContact O-NZ 2.71Å; L198-I275 WeakPolarHBondContact CA-O 3.4Å; L198-I275 HydrophobicContact CD2-CB 3.72Å; L198-I275 HydrophobicContact CD2-CD1 4.23Å; L198-I275 HydrophobicContact CD2-CG1 4.38Å; L198-I275 HydrophobicContact CD2-CG2 4.39Å |
| 199 | V | 97.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.024 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 124.3 | 169 | 174.2 | 0 | 0 | 0 | 0 | 109.2 | Q190 F201 M214 E215 L267 K274 I275 A276 | Q190-V199 PolarHBondContact NE2-O 3.45Å; V199-F201 PolarHBondContact O-N 3.35Å; V199-M214 HydrophobicContact CG1-CB 3.83Å; V199-M214 HydrophobicContact CG1-CG 4.21Å; V199-M214 HydrophobicContact CG1-SD 3.98Å; V199-E215 WeakPolarHBondContact CA-OE1 3.24Å; V199-E215 HydrophobicContact CG1-CG 4.11Å; V199-L267 HydrophobicContact CG2-CD1 3.81Å; V199-L267 HydrophobicContact CG2-CG 4.47Å; V199-K274 HydrophobicContact CG2-CB 4.07Å; V199-I275 PolarHBondContact N-O 2.9Å; V199-A276 HydrophobicContact CB-CB 4.48Å; V199-A276 HydrophobicContact CG2-CB 3.58Å |
| 200 | N | 96.5 | Very high | 91.8 | Very high | 38 Ų | 38 | 41.5 Ų | 41.5 | 20% | 0.203 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -78.8 | 123.1 | -173.2 | -175.8 | 78.5 | 0 | 0 | 0 | 111.4 | L198 K202 M214 E215 | L198-N200 PolarHBondContact O-N 3.46Å; N200-K202 WeakPolarHBondContact ND2-CE 3.29Å; N200-M214 WeakPolarHBondContact O-CA 3.36Å; N200-E215 HydrophobicContact CB-CB 4.24Å; N200-E215 HydrophobicContact CB-CG 3.98Å; N200-E215 VanDerWaalsContact CB-OE1 3.28Å; N200-E215 WeakPolarHBondContact CB-OE1 3.46Å; N200-E215 PolarHBondContact N-OE1 3Å; N200-E215 PolarHBondContact O-N 3.14Å |
| 201 | F | 95.8 | Very high | 91.9 | Very high | 27 Ų | 27 | 41.9 Ų | 41.9 | 12% | 0.118 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 138.6 | 168.5 | 178.2 | -100.4 | 0 | 0 | 0 | 111.7 | W129 Q190 R191 V199 G203 V204 L212 | W129-F201 HydrophobicContact CB-CE1 3.77Å; W129-F201 HydrophobicContact CB-CZ 4.23Å; W129-F201 HydrophobicContact CE3-CZ 4.49Å; W129-F201 HydrophobicContact CG-CE1 4.45Å; Q190-F201 HydrophobicContact CB-CD2 4.29Å; Q190-F201 HydrophobicContact CG-CB 4.09Å; Q190-F201 HydrophobicContact CG-CD2 4.33Å; Q190-F201 WeakPolarHBondContact O-CB 3.41Å; R191-F201 HydrophobicContact CB-CD1 4.13Å; R191-F201 HydrophobicContact CB-CD2 4.31Å; R191-F201 HydrophobicContact CB-CE1 3.94Å; R191-F201 HydrophobicContact CB-CE2 4.14Å; R191-F201 HydrophobicContact CB-CG 4.31Å; R191-F201 HydrophobicContact CB-CZ 3.94Å; R191-F201 HydrophobicContact CG-CD1 4.1Å; R191-F201 HydrophobicContact CG-CE1 3.68Å; R191-F201 HydrophobicContact CG-CZ 4.01Å; V199-F201 PolarHBondContact O-N 3.35Å; F201-G203 WeakPolarHBondContact CE2-O 3.4Å; F201-G203 VanDerWaalsContact CZ-C 3.42Å; F201-V204 HydrophobicContact CE2-CG1 3.74Å; F201-V204 HydrophobicContact CZ-CG1 4.01Å; F201-L212 HydrophobicContact CD2-CD1 3.62Å; F201-L212 HydrophobicContact CE2-CD1 3.63Å |
| 202 | K | 95.7 | Very high | 92 | Very high | 58 Ų | 58 | 37.3 Ų | 37.3 | 25% | 0.252 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | -29.5 | 177.4 | -64.4 | -71.8 | -178.5 | 162.8 | 0 | 112.9 | E163 N200 V213 | E163-K202 VanDerWaalsContact OE1-CE 3.32Å; E163-K202 WeakPolarHBondContact OE1-CE 3.41Å; E163-K202 IonicContact OE1-NZ 3.01Å; E163-K202 PolarHBondContact OE1-NZ 3.04Å; E163-K202 IonicContact OE2-NZ 3.75Å; N200-K202 WeakPolarHBondContact ND2-CE 3.29Å; K202-V213 HydrophobicContact CB-CB 4.29Å; K202-V213 HydrophobicContact CB-CG1 3.98Å; K202-V213 WeakPolarHBondContact CB-O 3.37Å; K202-V213 PolarHBondContact N-O 3.41Å |
| 203 | G | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.4 | -179.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | W129 F201 V213 | W129-G203 CarbonylContact O-C 3.53Å; W129-G203 WeakPolarHBondContact O-CA 3.38Å; F201-G203 WeakPolarHBondContact CE2-O 3.4Å; F201-G203 VanDerWaalsContact CZ-C 3.42Å; G203-V213 PolarHBondContact N-O 3.35Å; G203-V213 WeakPolarHBondContact O-CA 3.45Å; G203-V213 WeakPolarHBondContact O-CB 3.35Å; G203-V213 PolarHBondContact O-N 2.86Å |
| 204 | V | 92.8 | Very high | 92.5 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 141.5 | 169.6 | -65.1 | 0 | 0 | 0 | 0 | 110 | W129 V130 L131 C187 F201 L206 M211 L212 | W129-V204 HydrophobicContact CE3-CG2 3.64Å; W129-V204 HydrophobicContact CZ3-CG2 3.62Å; W129-V204 PolarHBondContact O-N 3.13Å; V130-V204 CarbonylContact C-O 3.57Å; V130-V204 WeakPolarHBondContact CA-O 3.38Å; L131-V204 PolarHBondContact N-O 3.14Å; C187-V204 HydrophobicContact CB-CG1 3.87Å; F201-V204 HydrophobicContact CE2-CG1 3.74Å; F201-V204 HydrophobicContact CZ-CG1 4.01Å; V204-L206 HydrophobicContact CB-CD2 4.33Å; V204-L206 HydrophobicContact CG2-CD1 4.26Å; V204-L206 HydrophobicContact CG2-CD2 4.26Å; V204-L206 HydrophobicContact CG2-CG 4.1Å; V204-M211 CarbonylContact C-O 3.47Å; V204-M211 WeakPolarHBondContact CA-O 3.45Å; V204-L212 HydrophobicContact CG1-CD1 4.25Å |
| 205 | S | 90.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 136.6 | 162.8 | 178.3 | 0 | 0 | 0 | 0 | 109 | L131 E133 I210 M211 | L131-S205 WeakPolarHBondContact O-CA 3.42Å; L131-S205 PolarHBondContact O-OG 3.45Å; E133-S205 PolarHBondContact N-OG 3.48Å; S205-I210 CarbonylContact O-C 3.59Å; S205-I210 WeakPolarHBondContact O-CA 3.42Å; S205-M211 PolarHBondContact N-O 3.49Å; S205-M211 PolarHBondContact O-N 3.12Å |
| 206 | L | 85.7 | Confident | 92.5 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | trans | -126.9 | 9.5 | -173.8 | -56.5 | 179.8 | 0 | 0 | 0 | 112.1 | G34 L35 L36 F184 V204 I210 | G34-L206 CarbonylContact C-O 3.59Å; G34-L206 WeakPolarHBondContact CA-O 3.29Å; L35-L206 HydrophobicContact CB-CB 4.49Å; L35-L206 WeakPolarHBondContact CB-O 3.47Å; L35-L206 WeakPolarHBondContact CG-O 3.47Å; L35-L206 PolarHBondContact N-O 3.3Å; L36-L206 HydrophobicContact CB-CD1 3.98Å; L36-L206 HydrophobicContact CD1-CD1 3.58Å; L36-L206 HydrophobicContact CG-CD1 4.4Å; F184-L206 HydrophobicContact CE1-CD1 4.49Å; F184-L206 HydrophobicContact CE1-CD2 3.55Å; F184-L206 HydrophobicContact CZ-CD2 4.08Å; V204-L206 HydrophobicContact CB-CD2 4.33Å; V204-L206 HydrophobicContact CG2-CD1 4.26Å; V204-L206 HydrophobicContact CG2-CD2 4.26Å; V204-L206 HydrophobicContact CG2-CG 4.1Å; L206-I210 HydrophobicContact CD2-CB 4.45Å; L206-I210 HydrophobicContact CD2-CG1 4.43Å; L206-I210 HydrophobicContact CD2-CG2 3.68Å | ||
| 207 | E | 82.7 | Confident | 92.5 | Very high | 30 Ų | 30 | 19.1 Ų | 19.1 | 14% | 0.14 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -73.4 | -67.2 | -169.3 | -67 | 179.5 | 167.3 | 0 | 0 | 112.6 | Q55 H132 E133 | Q55-E207 PolarHBondContact OE1-O 2.95Å; H132-E207 WeakPolarHBondContact CA-OE1 3.46Å; H132-E207 IonicContact CE1-OE1 2.72Å; H132-E207 IonicContact CG-OE1 2.66Å; H132-E207 IonicContact ND1-OE1 2.69Å; H132-E207 PolarHBondContact ND1-OE1 3.46Å; E133-E207 HydrophobicContact CB-CB 4.18Å; E133-E207 WeakPolarHBondContact CB-OE2 3.42Å; E133-E207 PolarHBondContact N-OE2 2.71Å |
| 208 | T | 78.4 | Confident | 92.5 | Very high | 69 Ų | 69 | 23.6 Ų | 23.6 | 42% | 0.423 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -107.4 | -38.7 | 175.7 | 79.7 | 0 | 0 | 0 | 0 | 112.9 | E133 | E133-T208 PolarHBondContact OE1-OG1 3.28Å; E133-T208 WeakPolarHBondContact OE2-CB 3.24Å; E133-T208 VanDerWaalsContact OE2-CG2 3.29Å; E133-T208 WeakPolarHBondContact OE2-CG2 3.22Å; E133-T208 PolarHBondContact OE2-N 2.8Å; E133-T208 PolarHBondContact OE2-OG1 3.35Å |
| 209 | T | 79 | Confident | 92.4 | Very high | 52 Ų | 52 | 25.7 Ų | 25.7 | 32% | 0.319 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -128.7 | 136.4 | 179.7 | -57.1 | 0 | 0 | 0 | 0 | 108.2 | M211 | T209-M211 WeakPolarHBondContact O-CG 3.4Å; T209-M211 PolarHBondContact O-N 3.2Å |
| 210 | I | 84.2 | Confident | 92.4 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 4% | 0.041 | 15% | 0.151 | C | C | . | . | trans | -72.8 | 118.9 | 175.5 | -50.9 | 158.9 | 0 | 0 | 0 | 107 | L35 L170 F183 F184 S205 L206 | L35-I210 HydrophobicContact CD1-CG1 4.07Å; L170-I210 HydrophobicContact CD1-CD1 4.1Å; F183-I210 HydrophobicContact CD1-CB 4.01Å; F183-I210 HydrophobicContact CD1-CG2 3.57Å; F183-I210 HydrophobicContact CE1-CB 3.91Å; F183-I210 HydrophobicContact CE1-CG2 3.46Å; F183-I210 VanDerWaalsContact CE1-CG2 3.46Å; F183-I210 WeakPolarHBondContact CE1-O 3.4Å; F184-I210 HydrophobicContact CD2-CD1 3.91Å; F184-I210 HydrophobicContact CE1-CD1 4.3Å; F184-I210 HydrophobicContact CE1-CG1 4.44Å; F184-I210 HydrophobicContact CE1-CG2 4.05Å; F184-I210 HydrophobicContact CE2-CD1 3.13Å; F184-I210 HydrophobicContact CE2-CG1 4.03Å; F184-I210 HydrophobicContact CZ-CD1 3.36Å; F184-I210 HydrophobicContact CZ-CG1 3.71Å; F184-I210 HydrophobicContact CZ-CG2 4.12Å; S205-I210 CarbonylContact O-C 3.59Å; S205-I210 WeakPolarHBondContact O-CA 3.42Å; L206-I210 HydrophobicContact CD2-CB 4.45Å; L206-I210 HydrophobicContact CD2-CG1 4.43Å; L206-I210 HydrophobicContact CD2-CG2 3.68Å | ||
| 211 | M | 91.9 | Very high | 92.5 | Very high | 10 Ų | 10 | 25.8 Ų | 25.8 | 5% | 0.049 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 130.3 | 179.6 | -53 | -164.3 | -176.5 | 0 | 0 | 109.8 | E133 I136 V167 K168 T169 V204 S205 T209 | E133-M211 HydrophobicContact CG-CE 4.06Å; I136-M211 HydrophobicContact CD1-SD 4.29Å; I136-M211 HydrophobicContact CG2-SD 4.33Å; V167-M211 HydrophobicContact CG1-CB 3.76Å; V167-M211 HydrophobicContact CG1-CG 4.23Å; V167-M211 HydrophobicContact CG1-SD 3.94Å; K168-M211 WeakPolarHBondContact O-CA 3.43Å; T169-M211 HydrophobicContact CG2-CB 4.33Å; T169-M211 HydrophobicContact CG2-CG 3.84Å; T169-M211 HydrophobicContact CG2-SD 4.2Å; V204-M211 CarbonylContact C-O 3.47Å; V204-M211 WeakPolarHBondContact CA-O 3.45Å; S205-M211 PolarHBondContact N-O 3.49Å; S205-M211 PolarHBondContact O-N 3.12Å; T209-M211 WeakPolarHBondContact O-CG 3.4Å; T209-M211 PolarHBondContact O-N 3.2Å |
| 212 | L | 93.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 112.3 | 170.2 | 172.9 | 58.6 | 0 | 0 | 0 | 108.7 | V167 K168 F183 E186 F201 V204 M214 | V167-L212 WeakPolarHBondContact CA-O 3.28Å; K168-L212 HydrophobicContact CB-CB 4.29Å; K168-L212 PolarHBondContact N-O 2.8Å; K168-L212 PolarHBondContact O-N 3.16Å; F183-L212 HydrophobicContact CE2-CB 4.15Å; F183-L212 HydrophobicContact CZ-CB 3.65Å; E186-L212 HydrophobicContact CG-CD2 4.28Å; F201-L212 HydrophobicContact CD2-CD1 3.62Å; F201-L212 HydrophobicContact CE2-CD1 3.63Å; V204-L212 HydrophobicContact CG1-CD1 4.25Å; L212-M214 HydrophobicContact CD1-CG 4.37Å; L212-M214 HydrophobicContact CD2-CE 4.48Å; L212-M214 HydrophobicContact CD2-CG 4.45Å; L212-M214 HydrophobicContact CD2-SD 3.98Å; L212-M214 HydrophobicContact CG-CE 4.42Å; L212-M214 HydrophobicContact CG-CG 3.97Å; L212-M214 HydrophobicContact CG-SD 4.1Å |
| 213 | V | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 128.4 | -179.1 | -167.9 | 0 | 0 | 0 | 0 | 109.7 | L131 I136 L155 V165 V167 K202 G203 | L131-V213 HydrophobicContact CD1-CB 4Å; L131-V213 HydrophobicContact CD1-CG1 4.33Å; L131-V213 HydrophobicContact CD1-CG2 3.71Å; I136-V213 HydrophobicContact CD1-CG2 3.62Å; I136-V213 HydrophobicContact CG1-CG2 4.45Å; L155-V213 HydrophobicContact CD2-CG1 4.43Å; V165-V213 HydrophobicContact CB-CG1 3.84Å; V165-V213 HydrophobicContact CG1-CG1 4.11Å; V165-V213 HydrophobicContact CG2-CG1 3.71Å; V167-V213 HydrophobicContact CG2-CG1 4.3Å; V167-V213 HydrophobicContact CG2-CG2 4.29Å; K202-V213 HydrophobicContact CB-CB 4.29Å; K202-V213 HydrophobicContact CB-CG1 3.98Å; K202-V213 WeakPolarHBondContact CB-O 3.37Å; K202-V213 PolarHBondContact N-O 3.41Å; G203-V213 PolarHBondContact N-O 3.35Å; G203-V213 WeakPolarHBondContact O-CA 3.45Å; G203-V213 WeakPolarHBondContact O-CB 3.35Å; G203-V213 PolarHBondContact O-N 2.86Å |
| 214 | M | 97.3 | Very high | 92.8 | Very high | 22 Ų | 22 | 32.6 Ų | 32.6 | 11% | 0.108 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 163 | -173.1 | -63.3 | 175 | -69.7 | 0 | 0 | 110.9 | V165 A166 K168 V199 N200 L212 L216 | V165-M214 WeakPolarHBondContact CB-O 3.32Å; A166-M214 PolarHBondContact N-O 2.86Å; A166-M214 PolarHBondContact O-N 3.14Å; K168-M214 HydrophobicContact CB-CE 3.87Å; V199-M214 HydrophobicContact CG1-CB 3.83Å; V199-M214 HydrophobicContact CG1-CG 4.21Å; V199-M214 HydrophobicContact CG1-SD 3.98Å; N200-M214 WeakPolarHBondContact O-CA 3.36Å; L212-M214 HydrophobicContact CD1-CG 4.37Å; L212-M214 HydrophobicContact CD2-CE 4.48Å; L212-M214 HydrophobicContact CD2-CG 4.45Å; L212-M214 HydrophobicContact CD2-SD 3.98Å; L212-M214 HydrophobicContact CG-CE 4.42Å; L212-M214 HydrophobicContact CG-CG 3.97Å; L212-M214 HydrophobicContact CG-SD 4.1Å; M214-L216 PolarHBondContact O-N 3.36Å |
| 215 | E | 97.2 | Very high | 93 | Very high | 8 Ų | 8 | 32.2 Ų | 32.2 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 137.9 | 167.1 | 72.7 | -177.7 | 143.2 | 0 | 0 | 110.9 | V199 N200 R269 K274 | V199-E215 WeakPolarHBondContact CA-OE1 3.24Å; V199-E215 HydrophobicContact CG1-CG 4.11Å; N200-E215 HydrophobicContact CB-CB 4.24Å; N200-E215 HydrophobicContact CB-CG 3.98Å; N200-E215 VanDerWaalsContact CB-OE1 3.28Å; N200-E215 WeakPolarHBondContact CB-OE1 3.46Å; N200-E215 PolarHBondContact N-OE1 3Å; N200-E215 PolarHBondContact O-N 3.14Å; E215-R269 WeakPolarHBondContact OE2-CD 3.31Å; E215-R269 IonicContact OE2-CZ 2.79Å; E215-R269 IonicContact OE2-NE 3.37Å; E215-R269 PolarHBondContact OE2-NE 2.85Å; E215-R269 IonicContact OE2-NH1 2.72Å; E215-R269 PolarHBondContact OE2-NH1 3.2Å; E215-K274 VanDerWaalsContact OE1-CD 3.31Å; E215-K274 WeakPolarHBondContact OE1-CD 3.34Å; E215-K274 WeakPolarHBondContact OE1-CE 3.47Å; E215-K274 IonicContact OE1-NZ 2.8Å; E215-K274 PolarHBondContact OE1-NZ 3.45Å; E215-K274 IonicContact OE2-NZ 3.79Å |
| 216 | L | 97.9 | Very high | 93.3 | Very high | 43 Ų | 43 | 38.3 Ų | 38.3 | 23% | 0.225 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -75.1 | 129.1 | 169.8 | -176 | 64.5 | 0 | 0 | 0 | 109.5 | L142 K152 V164 A166 M214 R269 | L142-L216 HydrophobicContact CD1-CD1 3.57Å; K152-L216 HydrophobicContact CD-CD2 4.35Å; K152-L216 HydrophobicContact CG-CD2 4.15Å; V164-L216 HydrophobicContact CG1-CD2 3.59Å; A166-L216 HydrophobicContact CB-CD1 4.02Å; M214-L216 PolarHBondContact O-N 3.36Å; L216-R269 WeakPolarHBondContact O-CD 3.47Å; L216-R269 PolarHBondContact O-NE 3.49Å |
| 217 | C | 97.9 | Very high | 93.9 | Very high | 16 Ų | 16 | 45.6 Ų | 45.6 | 11% | 0.108 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -97.1 | 156.5 | 171.3 | -66.6 | 0 | 0 | 0 | 0 | 110.5 | L267 I268 R269 | C217-L267 HydrophobicContact CB-CB 3.71Å; C217-L267 HydrophobicContact CB-CD1 3.91Å; C217-L267 HydrophobicContact CB-CG 4.4Å; C217-I268 WeakPolarHBondContact CB-O 3.32Å; C217-R269 HydrophobicContact CB-CB 4.32Å |
| 218 | D | 97.5 | Very high | 94.5 | Very high | 97 Ų | 97 | 48.1 Ų | 48.1 | 52% | 0.519 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -69.7 | -38.7 | -174.1 | -52.1 | -35.4 | 0 | 0 | 0 | 111.6 | I268 R269 H270 | D218-I268 WeakPolarHBondContact CB-O 3.37Å; D218-I268 PolarHBondContact N-O 2.94Å; D218-R269 WeakPolarHBondContact OD2-CA 3.35Å; D218-H270 PolarHBondContact OD2-N 2.71Å |
| 219 | T | 96.7 | Very high | 95.3 | Very high | 47 Ų | 47 | 49.4 Ų | 49.4 | 29% | 0.288 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 170.9 | 178.9 | -168.4 | 0 | 0 | 0 | 0 | 111.6 | K223 Y224 I268 | T219-K223 WeakPolarHBondContact OG1-CB 3.31Å; T219-Y224 HydrophobicContact CG2-CD2 4.22Å; T219-Y224 HydrophobicContact CG2-CG 4.48Å; T219-I268 HydrophobicContact CG2-CB 4.19Å; T219-I268 PolarHBondContact N-O 3.09Å; T219-I268 PolarHBondContact O-N 3.33Å |
| 220 | T | 96.9 | Very high | 96.1 | Very high | 44 Ų | 44 | 54.1 Ų | 54.1 | 27% | 0.27 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 150.5 | 168.4 | 64 | 0 | 0 | 0 | 0 | 110.8 | L222 K223 Y224 L267 | T220-L222 VanDerWaalsContact C-N 3.3Å; T220-L222 PolarHBondContact O-N 3.17Å; T220-K223 PolarHBondContact O-N 3.14Å; T220-K223 VanDerWaalsContact OG1-CB 3.3Å; T220-K223 WeakPolarHBondContact OG1-CB 3.47Å; T220-K223 VanDerWaalsContact OG1-CG 3.26Å; T220-K223 WeakPolarHBondContact OG1-CG 3.28Å; T220-K223 PolarHBondContact OG1-N 3.22Å; T220-Y224 PolarHBondContact O-N 2.93Å; T220-L267 HydrophobicContact CG2-CD2 3.94Å |
| 221 | L | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.9 | -42.9 | 175.1 | 175.3 | 63.2 | 0 | 0 | 0 | 112.2 | K223 Y224 L225 L240 A263 C266 I268 L273 L324 I328 | L221-K223 PolarHBondContact O-N 3.17Å; L221-Y224 WeakPolarHBondContact O-CB 3.14Å; L221-Y224 PolarHBondContact O-N 2.99Å; L221-Y224 VanDerWaalsContact O-N 3.12Å; L221-L225 HydrophobicContact CD1-CD1 3.99Å; L221-L225 HydrophobicContact CD1-CD2 4.26Å; L221-L225 HydrophobicContact CD1-CG 3.84Å; L221-L225 HydrophobicContact CD2-CD1 4.45Å; L221-L225 HydrophobicContact CG-CD1 3.86Å; L221-L225 HydrophobicContact CG-CG 4.18Å; L221-L225 WeakPolarHBondContact O-CG 3.33Å; L221-L225 PolarHBondContact O-N 3.31Å; L221-L240 HydrophobicContact CD1-CD1 3.93Å; L221-A263 HydrophobicContact CD2-CB 3.94Å; L221-C266 HydrophobicContact CB-CB 3.79Å; L221-C266 VanDerWaalsContact CB-O 3.28Å; L221-C266 WeakPolarHBondContact CB-O 3.3Å; L221-C266 HydrophobicContact CD2-CB 3.64Å; L221-C266 HydrophobicContact CG-CB 4.37Å; L221-C266 PolarHBondContact N-O 3.11Å; L221-I268 HydrophobicContact CD1-CD1 4Å; L221-L273 HydrophobicContact CD1-CD1 4.17Å; L221-L273 HydrophobicContact CD2-CD1 3.75Å; L221-L324 HydrophobicContact CD2-CD1 3.98Å; L221-I328 HydrophobicContact CD2-CD1 4.43Å; L221-I328 HydrophobicContact CD2-CG1 4.11Å |
| 222 | L | 97.6 | Very high | 96.6 | Very high | 49 Ų | 49 | 59 Ų | 59 | 26% | 0.257 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 178.9 | -68.7 | 175.8 | 0 | 0 | 0 | 112.8 | T220 Y224 K226 A263 R264 | T220-L222 VanDerWaalsContact C-N 3.3Å; T220-L222 PolarHBondContact O-N 3.17Å; L222-Y224 VanDerWaalsContact C-N 3.31Å; L222-Y224 PolarHBondContact O-N 2.83Å; L222-K226 WeakPolarHBondContact O-CG 3.26Å; L222-K226 PolarHBondContact O-N 2.94Å; L222-K226 VanDerWaalsContact O-N 3.09Å; L222-A263 HydrophobicContact CD2-CB 3.64Å; L222-A263 HydrophobicContact CG-CB 4.15Å; L222-R264 HydrophobicContact CD1-CB 3.91Å |
| 223 | K | 97.5 | Very high | 96.7 | Very high | 134 Ų | 134 | 62.6 Ų | 62.6 | 58% | 0.583 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.9 | -38.9 | 174 | -72.2 | 177.9 | -179.2 | -179.4 | 0 | 111.6 | T219 T220 L221 K227 | T219-K223 WeakPolarHBondContact OG1-CB 3.31Å; T220-K223 PolarHBondContact O-N 3.14Å; T220-K223 VanDerWaalsContact OG1-CB 3.3Å; T220-K223 WeakPolarHBondContact OG1-CB 3.47Å; T220-K223 VanDerWaalsContact OG1-CG 3.26Å; T220-K223 WeakPolarHBondContact OG1-CG 3.28Å; T220-K223 PolarHBondContact OG1-N 3.22Å; L221-K223 PolarHBondContact O-N 3.17Å; K223-K227 VanDerWaalsContact O-CB 3.24Å; K223-K227 WeakPolarHBondContact O-CB 3.34Å; K223-K227 PolarHBondContact O-N 3.24Å |
| 224 | Y | 98.4 | Very high | 96.7 | Very high | 44 Ų | 44 | 65 Ų | 65 | 17% | 0.173 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.7 | -50.7 | 177.6 | -176.2 | -102.9 | 0 | 0 | 0 | 111.9 | T219 T220 L221 L222 K226 K227 Y228 M232 L240 I268 | T219-Y224 HydrophobicContact CG2-CD2 4.22Å; T219-Y224 HydrophobicContact CG2-CG 4.48Å; T220-Y224 PolarHBondContact O-N 2.93Å; L221-Y224 WeakPolarHBondContact O-CB 3.14Å; L221-Y224 PolarHBondContact O-N 2.99Å; L221-Y224 VanDerWaalsContact O-N 3.12Å; L222-Y224 VanDerWaalsContact C-N 3.31Å; L222-Y224 PolarHBondContact O-N 2.83Å; Y224-K226 PolarHBondContact O-N 2.95Å; Y224-K227 PolarHBondContact O-N 3.23Å; Y224-Y228 AromaticContact CD2-CD2 3.61Å; Y224-Y228 HydrophobicContact CD2-CD2 3.61Å; Y224-Y228 AromaticContact CD2-CE2 3.59Å; Y224-Y228 HydrophobicContact CD2-CE2 3.59Å; Y224-Y228 AromaticContact CE2-CD2 3.49Å; Y224-Y228 HydrophobicContact CE2-CD2 3.49Å; Y224-Y228 VanDerWaalsContact CE2-CD2 3.49Å; Y224-Y228 AromaticContact CE2-CE2 3.42Å; Y224-Y228 HydrophobicContact CE2-CE2 3.42Å; Y224-Y228 VanDerWaalsContact CE2-CE2 3.42Å; Y224-Y228 HydrophobicContact CG-CD2 4.15Å; Y224-Y228 AromaticContact CZ-CD2 3.98Å; Y224-Y228 VanDerWaalsContact O-CD2 3.32Å; Y224-Y228 WeakPolarHBondContact O-CD2 3.49Å; Y224-Y228 PolarHBondContact O-N 2.82Å; Y224-Y228 VanDerWaalsContact O-N 3.08Å; Y224-M232 HydrophobicContact CD1-CE 3.74Å; Y224-M232 HydrophobicContact CE1-CE 3.21Å; Y224-L240 HydrophobicContact CD1-CD1 4.3Å; Y224-L240 HydrophobicContact CE1-CD1 4.11Å; Y224-L240 HydrophobicContact CE1-CD2 4.36Å; Y224-I268 HydrophobicContact CD1-CD1 4.24Å; Y224-I268 HydrophobicContact CD1-CG1 3.99Å; Y224-I268 HydrophobicContact CD2-CB 4.49Å; Y224-I268 HydrophobicContact CD2-CG1 4.14Å; Y224-I268 HydrophobicContact CD2-CG2 4.23Å; Y224-I268 HydrophobicContact CE2-CG2 4.31Å; Y224-I268 HydrophobicContact CG-CD1 4.47Å; Y224-I268 HydrophobicContact CG-CG1 3.72Å |
| 225 | L | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.3 | -49.1 | 178.1 | -70.1 | 171.7 | 0 | 0 | 0 | 111.4 | L221 K227 Y228 Q229 M232 L240 I328 N331 | L221-L225 HydrophobicContact CD1-CD1 3.99Å; L221-L225 HydrophobicContact CD1-CD2 4.26Å; L221-L225 HydrophobicContact CD1-CG 3.84Å; L221-L225 HydrophobicContact CD2-CD1 4.45Å; L221-L225 HydrophobicContact CG-CD1 3.86Å; L221-L225 HydrophobicContact CG-CG 4.18Å; L221-L225 WeakPolarHBondContact O-CG 3.33Å; L221-L225 PolarHBondContact O-N 3.31Å; L225-K227 VanDerWaalsContact C-N 3.35Å; L225-K227 PolarHBondContact O-N 2.82Å; L225-Y228 PolarHBondContact O-N 2.91Å; L225-Q229 WeakPolarHBondContact O-CA 3.43Å; L225-Q229 WeakPolarHBondContact O-CB 3.36Å; L225-Q229 PolarHBondContact O-N 3.04Å; L225-M232 HydrophobicContact CD2-CE 4.39Å; L225-M232 HydrophobicContact CD2-SD 3.82Å; L225-L240 HydrophobicContact CD2-CD1 4Å; L225-I328 HydrophobicContact CD1-CG1 4.47Å; L225-I328 HydrophobicContact CD2-CG2 4.43Å; L225-N331 HydrophobicContact CB-CB 4.33Å |
| 226 | K | 97.2 | Very high | 96.6 | Very high | 127 Ų | 127 | 72 Ų | 72 | 55% | 0.552 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.5 | -40.2 | 177.6 | -71.8 | -176.8 | 179.7 | -172 | 0 | 113.1 | L222 Y224 Y228 Q229 | L222-K226 WeakPolarHBondContact O-CG 3.26Å; L222-K226 PolarHBondContact O-N 2.94Å; L222-K226 VanDerWaalsContact O-N 3.09Å; Y224-K226 PolarHBondContact O-N 2.95Å; K226-Y228 VanDerWaalsContact C-N 3.34Å; K226-Y228 PolarHBondContact O-N 2.85Å; K226-Q229 WeakPolarHBondContact O-CG 3.3Å; K226-Q229 PolarHBondContact O-NE2 3.32Å |
| 227 | K | 97.1 | Very high | 96.6 | Very high | 157 Ų | 157 | 70.6 Ų | 70.6 | 68% | 0.683 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.6 | -38.8 | 179.7 | -180 | 176.4 | 177.8 | -176.3 | 0 | 112 | K223 Y224 L225 | K223-K227 VanDerWaalsContact O-CB 3.24Å; K223-K227 WeakPolarHBondContact O-CB 3.34Å; K223-K227 PolarHBondContact O-N 3.24Å; Y224-K227 PolarHBondContact O-N 3.23Å; L225-K227 VanDerWaalsContact C-N 3.35Å; L225-K227 PolarHBondContact O-N 2.82Å |
| 228 | Y | 96.4 | Very high | 96.6 | Very high | 84 Ų | 84 | 69.8 Ų | 69.8 | 33% | 0.329 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -106.7 | 6.3 | -172.7 | -66.5 | -73.8 | 0 | 0 | 0 | 113.9 | Y224 L225 K226 N230 V231 M232 | Y224-Y228 AromaticContact CD2-CD2 3.61Å; Y224-Y228 HydrophobicContact CD2-CD2 3.61Å; Y224-Y228 AromaticContact CD2-CE2 3.59Å; Y224-Y228 HydrophobicContact CD2-CE2 3.59Å; Y224-Y228 AromaticContact CE2-CD2 3.49Å; Y224-Y228 HydrophobicContact CE2-CD2 3.49Å; Y224-Y228 VanDerWaalsContact CE2-CD2 3.49Å; Y224-Y228 AromaticContact CE2-CE2 3.42Å; Y224-Y228 HydrophobicContact CE2-CE2 3.42Å; Y224-Y228 VanDerWaalsContact CE2-CE2 3.42Å; Y224-Y228 HydrophobicContact CG-CD2 4.15Å; Y224-Y228 AromaticContact CZ-CD2 3.98Å; Y224-Y228 VanDerWaalsContact O-CD2 3.32Å; Y224-Y228 WeakPolarHBondContact O-CD2 3.49Å; Y224-Y228 PolarHBondContact O-N 2.82Å; Y224-Y228 VanDerWaalsContact O-N 3.08Å; L225-Y228 PolarHBondContact O-N 2.91Å; K226-Y228 VanDerWaalsContact C-N 3.34Å; K226-Y228 PolarHBondContact O-N 2.85Å; Y228-N230 PolarHBondContact O-N 3.41Å; Y228-V231 HydrophobicContact CD1-CG2 3.84Å; Y228-V231 HydrophobicContact CG-CG2 4.47Å; Y228-V231 WeakPolarHBondContact O-CG2 3.3Å; Y228-V231 PolarHBondContact O-N 3.34Å; Y228-M232 VanDerWaalsContact O-CB 3.29Å; Y228-M232 WeakPolarHBondContact O-CB 3.35Å; Y228-M232 PolarHBondContact O-N 2.78Å |
| 229 | Q | 95.2 | Very high | 96.6 | Very high | 96 Ų | 96 | 68.9 Ų | 68.9 | 45% | 0.449 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -31.8 | -174.8 | 65.5 | -176.1 | -31.7 | 0 | 0 | 114.9 | L225 K226 N331 | L225-Q229 WeakPolarHBondContact O-CA 3.43Å; L225-Q229 WeakPolarHBondContact O-CB 3.36Å; L225-Q229 PolarHBondContact O-N 3.04Å; K226-Q229 WeakPolarHBondContact O-CG 3.3Å; K226-Q229 PolarHBondContact O-NE2 3.32Å; Q229-N331 HydrophobicContact CB-CB 3.87Å |
| 230 | N | 94.3 | Very high | 96.7 | Very high | 150 Ų | 150 | 66.9 Ų | 66.9 | 80% | 0.802 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -13.6 | -178 | -64.2 | -25.9 | 0 | 0 | 0 | 113.9 | Y228 | Y228-N230 PolarHBondContact O-N 3.41Š|
| 231 | V | 94.8 | Very high | 96.8 | Very high | 104 Ų | 104 | 64.8 Ų | 64.8 | 63% | 0.63 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122 | -16.8 | -177.2 | -61.9 | 0 | 0 | 0 | 0 | 112.7 | Y228 T233 | Y228-V231 HydrophobicContact CD1-CG2 3.84Å; Y228-V231 HydrophobicContact CG-CG2 4.47Å; Y228-V231 WeakPolarHBondContact O-CG2 3.3Å; Y228-V231 PolarHBondContact O-N 3.34Å; V231-T233 PolarHBondContact O-N 3.14Å |
| 232 | M | 93.1 | Very high | 96.8 | Very high | 18 Ų | 18 | 65 Ų | 65 | 9% | 0.089 | 31% | 0.308 | C | S | . | . | trans | -68.8 | 120.5 | -176.3 | -169.3 | 168 | -73 | 0 | 0 | 110.4 | Y224 L225 Y228 E236 H237 L240 | Y224-M232 HydrophobicContact CD1-CE 3.74Å; Y224-M232 HydrophobicContact CE1-CE 3.21Å; L225-M232 HydrophobicContact CD2-CE 4.39Å; L225-M232 HydrophobicContact CD2-SD 3.82Å; Y228-M232 VanDerWaalsContact O-CB 3.29Å; Y228-M232 WeakPolarHBondContact O-CB 3.35Å; Y228-M232 PolarHBondContact O-N 2.78Å; M232-E236 WeakPolarHBondContact CA-OE2 3.1Å; M232-E236 HydrophobicContact CG-CB 3.71Å; M232-E236 HydrophobicContact SD-CB 4.49Å; M232-H237 VanDerWaalsContact SD-CD2 3.54Å; M232-H237 PolarHBondContact SD-NE2 2.87Å; M232-L240 HydrophobicContact CE-CD1 4.37Å; M232-L240 HydrophobicContact SD-CD1 4.17Å | ||
| 233 | T | 95 | Very high | 96.9 | Very high | 74 Ų | 74 | 63.5 Ų | 63.5 | 45% | 0.454 | 30% | 0.299 | S | S | . | . | trans | -80.1 | 155.7 | 176.1 | 64.3 | 0 | 0 | 0 | 0 | 110.7 | V231 R235 E236 H237 | V231-T233 PolarHBondContact O-N 3.14Å; T233-R235 PolarHBondContact O-N 3.33Å; T233-R235 VanDerWaalsContact O-N 3.11Å; T233-E236 PolarHBondContact N-OE2 3.16Å; T233-E236 WeakPolarHBondContact O-CA 3.45Å; T233-E236 WeakPolarHBondContact O-CB 3.44Å; T233-E236 PolarHBondContact O-N 2.84Å; T233-E236 WeakPolarHBondContact OG1-CG 3.42Å; T233-E236 PolarHBondContact OG1-N 2.87Å; T233-E236 PolarHBondContact OG1-OE2 2.95Å; T233-E236 VanDerWaalsContact OG1-OE2 3.12Å; T233-H237 PolarHBondContact O-N 2.97Å; T233-H237 VanDerWaalsContact O-N 3.07Å; T233-H237 PolarHBondContact O-ND1 2.84Å; T233-H237 VanDerWaalsContact O-ND1 3.15Å | ||
| 234 | L | 95.7 | Very high | 97 | Very high | 52 Ų | 52 | 57.1 Ų | 57.1 | 27% | 0.272 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -52.7 | -34.9 | 171.5 | 176.6 | 65.5 | 0 | 0 | 0 | 112.5 | E236 H237 V238 L329 P368 L371 L403 | L234-E236 VanDerWaalsContact C-N 3.31Å; L234-E236 PolarHBondContact O-N 2.83Å; L234-H237 WeakPolarHBondContact O-CB 3.41Å; L234-H237 PolarHBondContact O-N 3.2Å; L234-V238 HydrophobicContact CD1-CG2 4.38Å; L234-V238 WeakPolarHBondContact O-CG2 3.32Å; L234-V238 PolarHBondContact O-N 2.8Å; L234-L329 HydrophobicContact CD1-CD2 3.91Å; L234-P368 HydrophobicContact CD2-CG 3.43Å; L234-P368 VanDerWaalsContact CD2-CG 3.43Å; L234-L371 HydrophobicContact CD1-CD2 4.25Å; L234-L403 HydrophobicContact CD2-CD1 4.26Å; L234-L403 HydrophobicContact CD2-CD2 3.98Å; L234-L403 HydrophobicContact CG-CD1 4.05Å |
| 235 | R | 95.9 | Very high | 97 | Very high | 97 Ų | 97 | 55 Ų | 55 | 37% | 0.366 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 176.9 | -173.1 | 174.5 | 178.2 | -155.7 | -3.7 | 111.9 | T233 K239 Y400 L403 S404 | T233-R235 PolarHBondContact O-N 3.33Å; T233-R235 VanDerWaalsContact O-N 3.11Å; R235-K239 WeakPolarHBondContact O-CB 3.42Å; R235-K239 PolarHBondContact O-N 3.08Å; R235-Y400 HydrophobicContact CG-CD2 3.94Å; R235-Y400 HydrophobicContact CG-CE2 3.7Å; R235-L403 HydrophobicContact CB-CB 4.08Å; R235-L403 HydrophobicContact CB-CD1 4.23Å; R235-L403 HydrophobicContact CG-CB 4.02Å; R235-S404 VanDerWaalsContact CZ-CB 3.48Å; R235-S404 PolarHBondContact NE-OG 2.79Å; R235-S404 VanDerWaalsContact NE-OG 3.15Å; R235-S404 VanDerWaalsContact NH2-CB 3.3Å; R235-S404 PolarHBondContact NH2-OG 3.39Å |
| 236 | E | 96.8 | Very high | 97 | Very high | 78 Ų | 78 | 59.4 Ų | 59.4 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.2 | -38.8 | 174.9 | -70.4 | 167.4 | 133 | 0 | 0 | 111.8 | M232 T233 L234 V238 K239 L240 | M232-E236 WeakPolarHBondContact CA-OE2 3.1Å; M232-E236 HydrophobicContact CG-CB 3.71Å; M232-E236 HydrophobicContact SD-CB 4.49Å; T233-E236 PolarHBondContact N-OE2 3.16Å; T233-E236 WeakPolarHBondContact O-CA 3.45Å; T233-E236 WeakPolarHBondContact O-CB 3.44Å; T233-E236 PolarHBondContact O-N 2.84Å; T233-E236 WeakPolarHBondContact OG1-CG 3.42Å; T233-E236 PolarHBondContact OG1-N 2.87Å; T233-E236 PolarHBondContact OG1-OE2 2.95Å; T233-E236 VanDerWaalsContact OG1-OE2 3.12Å; L234-E236 VanDerWaalsContact C-N 3.31Å; L234-E236 PolarHBondContact O-N 2.83Å; E236-V238 PolarHBondContact O-N 3.01Å; E236-K239 WeakPolarHBondContact O-CB 3.42Å; E236-K239 PolarHBondContact O-N 3.39Å; E236-L240 WeakPolarHBondContact O-CG 3.39Å; E236-L240 PolarHBondContact O-N 3.02Å; E236-L240 VanDerWaalsContact O-N 3.12Å |
| 237 | H | 97.8 | Very high | 97.1 | Very high | 14 Ų | 14 | 53.3 Ų | 53.3 | 7% | 0.065 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.1 | -49.6 | 170.2 | -67.1 | 109.8 | 0 | 0 | 0 | 111.3 | M232 T233 L234 K239 L240 M241 I328 L329 N331 | M232-H237 VanDerWaalsContact SD-CD2 3.54Å; M232-H237 PolarHBondContact SD-NE2 2.87Å; T233-H237 PolarHBondContact O-N 2.97Å; T233-H237 VanDerWaalsContact O-N 3.07Å; T233-H237 PolarHBondContact O-ND1 2.84Å; T233-H237 VanDerWaalsContact O-ND1 3.15Å; L234-H237 WeakPolarHBondContact O-CB 3.41Å; L234-H237 PolarHBondContact O-N 3.2Å; H237-K239 VanDerWaalsContact C-N 3.31Å; H237-K239 PolarHBondContact O-N 2.84Å; H237-L240 WeakPolarHBondContact O-CB 3.42Å; H237-L240 PolarHBondContact O-N 3.23Å; H237-L240 VanDerWaalsContact O-N 3.14Å; H237-M241 HydrophobicContact CB-CE 4.47Å; H237-M241 WeakPolarHBondContact O-CG 3.46Å; H237-M241 PolarHBondContact O-N 3.16Å; H237-M241 VanDerWaalsContact O-N 3.13Å; H237-I328 HydrophobicContact CB-CG2 3.82Å; H237-I328 PolarHBondContact CD2-O 3.47Å; H237-I328 PolarHBondContact NE2-O 2.93Å; H237-L329 HydrophobicContact CB-CD2 4.31Å; H237-N331 PolarHBondContact NE2-OD1 3.02Å |
| 238 | V | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.8 | -37.5 | 178.5 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | L234 E236 L240 M241 V242 L371 L396 I399 Y400 L403 | L234-V238 HydrophobicContact CD1-CG2 4.38Å; L234-V238 WeakPolarHBondContact O-CG2 3.32Å; L234-V238 PolarHBondContact O-N 2.8Å; E236-V238 PolarHBondContact O-N 3.01Å; V238-L240 VanDerWaalsContact C-N 3.31Å; V238-L240 PolarHBondContact O-N 3.3Å; V238-M241 WeakPolarHBondContact O-CB 3.5Å; V238-M241 PolarHBondContact O-N 3.5Å; V238-M241 VanDerWaalsContact O-N 3.1Å; V238-V242 HydrophobicContact CG1-CG2 4.35Å; V238-V242 WeakPolarHBondContact O-CG2 3.41Å; V238-V242 PolarHBondContact O-N 2.92Å; V238-L371 HydrophobicContact CG2-CD2 4.09Å; V238-L396 HydrophobicContact CG1-CD2 4.48Å; V238-I399 HydrophobicContact CG1-CB 4.38Å; V238-I399 HydrophobicContact CG1-CG2 4.07Å; V238-I399 HydrophobicContact CG2-CG2 4.04Å; V238-Y400 HydrophobicContact CG1-CD2 4.41Å; V238-L403 HydrophobicContact CB-CD1 4.27Å; V238-L403 HydrophobicContact CG2-CD1 3.87Å |
| 239 | K | 98.3 | Very high | 97.3 | Very high | 78 Ų | 78 | 43.9 Ų | 43.9 | 34% | 0.339 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.9 | -43.3 | 173.9 | -172.3 | -176.1 | 180 | -172 | 0 | 112.3 | R235 E236 H237 M241 V242 H243 Y400 | R235-K239 WeakPolarHBondContact O-CB 3.42Å; R235-K239 PolarHBondContact O-N 3.08Å; E236-K239 WeakPolarHBondContact O-CB 3.42Å; E236-K239 PolarHBondContact O-N 3.39Å; H237-K239 VanDerWaalsContact C-N 3.31Å; H237-K239 PolarHBondContact O-N 2.84Å; K239-M241 VanDerWaalsContact C-N 3.33Å; K239-V242 PolarHBondContact O-N 3.12Å; K239-H243 PolarHBondContact O-CD2 2.82Å; K239-H243 VanDerWaalsContact O-CG 3.22Å; K239-H243 PolarHBondContact O-N 2.89Å; K239-H243 PolarHBondContact O-ND1 3.02Å; K239-Y400 HydrophobicContact CB-CD2 4.12Å; K239-Y400 HydrophobicContact CB-CE2 3.65Å; K239-Y400 HydrophobicContact CD-CE2 4.44Å; K239-Y400 HydrophobicContact CG-CE2 4.05Å |
| 240 | L | 98.7 | Very high | 97.4 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.1 | -40.2 | 176.6 | -62.6 | 172.6 | 0 | 0 | 0 | 111 | L221 Y224 L225 M232 E236 H237 V238 H243 A244 I268 L273 I328 | L221-L240 HydrophobicContact CD1-CD1 3.93Å; Y224-L240 HydrophobicContact CD1-CD1 4.3Å; Y224-L240 HydrophobicContact CE1-CD1 4.11Å; Y224-L240 HydrophobicContact CE1-CD2 4.36Å; L225-L240 HydrophobicContact CD2-CD1 4Å; M232-L240 HydrophobicContact CE-CD1 4.37Å; M232-L240 HydrophobicContact SD-CD1 4.17Å; E236-L240 WeakPolarHBondContact O-CG 3.39Å; E236-L240 PolarHBondContact O-N 3.02Å; E236-L240 VanDerWaalsContact O-N 3.12Å; H237-L240 WeakPolarHBondContact O-CB 3.42Å; H237-L240 PolarHBondContact O-N 3.23Å; H237-L240 VanDerWaalsContact O-N 3.14Å; V238-L240 VanDerWaalsContact C-N 3.31Å; V238-L240 PolarHBondContact O-N 3.3Å; L240-H243 WeakPolarHBondContact O-CB 3.49Å; L240-H243 PolarHBondContact O-N 2.96Å; L240-A244 PolarHBondContact O-N 3.11Å; L240-I268 HydrophobicContact CD2-CD1 3.74Å; L240-L273 HydrophobicContact CB-CD1 4.09Å; L240-L273 HydrophobicContact CD2-CB 4.07Å; L240-I328 HydrophobicContact CB-CD1 4.23Å; L240-I328 HydrophobicContact CB-CG2 4.48Å |
| 241 | M | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.9 | -42.5 | 175.2 | -59.5 | 171.2 | -170.5 | 0 | 0 | 112.2 | H237 V238 K239 H243 A244 S245 M325 I328 L329 L371 L396 | H237-M241 HydrophobicContact CB-CE 4.47Å; H237-M241 WeakPolarHBondContact O-CG 3.46Å; H237-M241 PolarHBondContact O-N 3.16Å; H237-M241 VanDerWaalsContact O-N 3.13Å; V238-M241 WeakPolarHBondContact O-CB 3.5Å; V238-M241 PolarHBondContact O-N 3.5Å; V238-M241 VanDerWaalsContact O-N 3.1Å; K239-M241 VanDerWaalsContact C-N 3.33Å; M241-H243 VanDerWaalsContact C-N 3.33Å; M241-H243 PolarHBondContact O-N 3.23Å; M241-A244 PolarHBondContact O-N 3.43Å; M241-S245 WeakPolarHBondContact O-CB 3.3Å; M241-S245 PolarHBondContact O-N 2.82Å; M241-S245 PolarHBondContact O-OG 2.8Å; M241-M325 HydrophobicContact CE-CB 4.26Å; M241-M325 WeakPolarHBondContact CE-O 3.16Å; M241-M325 HydrophobicContact CG-CG 4.3Å; M241-M325 HydrophobicContact SD-CB 4.3Å; M241-M325 HydrophobicContact SD-CE 4.29Å; M241-M325 HydrophobicContact SD-CG 4.14Å; M241-I328 HydrophobicContact CE-CB 4Å; M241-I328 HydrophobicContact CE-CG2 3.71Å; M241-I328 HydrophobicContact CG-CD1 3.82Å; M241-I328 HydrophobicContact CG-CG2 4.3Å; M241-L329 HydrophobicContact CE-CD1 4.04Å; M241-L329 HydrophobicContact CE-CD2 3.67Å; M241-L329 HydrophobicContact CE-CG 3.48Å; M241-L329 VanDerWaalsContact CE-CG 3.48Å; M241-L371 HydrophobicContact CE-CD2 4.31Å; M241-L371 HydrophobicContact SD-CD1 3.9Å; M241-L371 HydrophobicContact SD-CD2 4.33Å; M241-L396 HydrophobicContact CB-CD1 3.82Å; M241-L396 HydrophobicContact CB-CD2 3.96Å; M241-L396 HydrophobicContact CB-CG 4.5Å; M241-L396 HydrophobicContact SD-CD2 4.12Å |
| 242 | V | 98.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.03 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.7 | -45.8 | 174.6 | 166.3 | 0 | 0 | 0 | 0 | 110.9 | V238 K239 S245 R246 L396 D397 | V238-V242 HydrophobicContact CG1-CG2 4.35Å; V238-V242 WeakPolarHBondContact O-CG2 3.41Å; V238-V242 PolarHBondContact O-N 2.92Å; K239-V242 PolarHBondContact O-N 3.12Å; V242-S245 WeakPolarHBondContact CA-OG 3.47Å; V242-S245 PolarHBondContact O-N 3.23Å; V242-S245 PolarHBondContact O-OG 2.79Å; V242-R246 WeakPolarHBondContact O-CB 3.34Å; V242-R246 VanDerWaalsContact O-CG 3.27Å; V242-R246 WeakPolarHBondContact O-CG 3.47Å; V242-R246 PolarHBondContact O-N 3.35Å; V242-L396 HydrophobicContact CG2-CB 3.67Å; V242-D397 WeakPolarHBondContact CG1-OD1 3.37Å |
| 243 | H | 98.8 | Very high | 98 | Very high | 18 Ų | 18 | 33.3 Ų | 33.3 | 8% | 0.083 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.3 | -47.7 | 176.8 | -67.6 | 166.4 | 0 | 0 | 0 | 111.5 | H197 K239 L240 M241 R246 G247 G271 L273 | H197-H243 WeakPolarHBondContact CB-O 3.4Å; H197-H243 PolarHBondContact CD2-O 3.43Å; H197-H243 AromaticContact CE1-CD2 3.2Å; H197-H243 PolarHBondContact CE1-CD2 2.81Å; H197-H243 AromaticContact CE1-CG 3.42Å; H197-H243 VanDerWaalsContact CE1-CG 3.42Å; H197-H243 AromaticContact CE1-NE2 3.92Å; H197-H243 WeakPolarHBondContact ND1-CB 3.28Å; H197-H243 AromaticContact ND1-CD2 3.97Å; H197-H243 AromaticContact ND1-CG 3.73Å; H197-H243 AromaticContact NE2-CD2 3.77Å; K239-H243 PolarHBondContact O-CD2 2.82Å; K239-H243 VanDerWaalsContact O-CG 3.22Å; K239-H243 PolarHBondContact O-N 2.89Å; K239-H243 PolarHBondContact O-ND1 3.02Å; L240-H243 WeakPolarHBondContact O-CB 3.49Å; L240-H243 PolarHBondContact O-N 2.96Å; M241-H243 VanDerWaalsContact C-N 3.33Å; M241-H243 PolarHBondContact O-N 3.23Å; H243-R246 PolarHBondContact O-N 3.48Å; H243-G247 PolarHBondContact O-N 3.11Å; H243-G271 PolarHBondContact CE1-O 3.43Å; H243-L273 HydrophobicContact CB-CB 3.75Å; H243-L273 PolarHBondContact ND1-N 2.65Å; H243-L273 VanDerWaalsContact ND1-N 3.16Å |
| 244 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.6 | -44.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L240 M241 R246 G247 M248 L273 F321 L324 | L240-A244 PolarHBondContact O-N 3.11Å; M241-A244 PolarHBondContact O-N 3.43Å; A244-R246 PolarHBondContact O-N 3.29Å; A244-G247 PolarHBondContact O-N 2.97Å; A244-G247 VanDerWaalsContact O-N 3.16Å; A244-M248 WeakPolarHBondContact O-CG 3.32Å; A244-M248 PolarHBondContact O-N 3.25Å; A244-L273 HydrophobicContact CB-CD1 4.23Å; A244-L273 HydrophobicContact CB-CD2 3.72Å; A244-F321 HydrophobicContact CB-CE2 3.73Å; A244-L324 HydrophobicContact CB-CD2 3.9Å |
| 245 | S | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.2 | -40.8 | -179.7 | 63.2 | 0 | 0 | 0 | 0 | 111.5 | M241 V242 G247 M248 V249 A393 | M241-S245 WeakPolarHBondContact O-CB 3.3Å; M241-S245 PolarHBondContact O-N 2.82Å; M241-S245 PolarHBondContact O-OG 2.8Å; V242-S245 WeakPolarHBondContact CA-OG 3.47Å; V242-S245 PolarHBondContact O-N 3.23Å; V242-S245 PolarHBondContact O-OG 2.79Å; S245-G247 VanDerWaalsContact C-N 3.33Å; S245-G247 PolarHBondContact O-N 3.28Å; S245-M248 CarbonylContact O-C 3.56Å; S245-M248 PolarHBondContact O-N 2.85Å; S245-M248 VanDerWaalsContact O-N 3.16Å; S245-V249 WeakPolarHBondContact O-CG2 3.26Å; S245-V249 PolarHBondContact O-N 2.84Å; S245-A393 WeakPolarHBondContact OG-CA 3.21Å; S245-A393 WeakPolarHBondContact OG-CB 3.38Å |
| 246 | R | 98.8 | Very high | 98 | Very high | 91 Ų | 91 | 32.3 Ų | 32.3 | 34% | 0.343 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.3 | -38.9 | 174.2 | -71.7 | 173 | 179.5 | -177.2 | 0.5 | 112 | H195 V242 H243 A244 M248 V249 Y250 D397 | H195-R246 PolarHBondContact CE1-O 3.1Å; V242-R246 WeakPolarHBondContact O-CB 3.34Å; V242-R246 VanDerWaalsContact O-CG 3.27Å; V242-R246 WeakPolarHBondContact O-CG 3.47Å; V242-R246 PolarHBondContact O-N 3.35Å; H243-R246 PolarHBondContact O-N 3.48Å; A244-R246 PolarHBondContact O-N 3.29Å; R246-M248 VanDerWaalsContact C-N 3.32Å; R246-V249 PolarHBondContact O-N 3.21Å; R246-Y250 PolarHBondContact O-N 3.12Å; R246-D397 IonicContact CZ-OD1 3.25Å; R246-D397 IonicContact CZ-OD2 2.68Å; R246-D397 IonicContact NE-OD1 3.32Å; R246-D397 IonicContact NE-OD2 2.9Å; R246-D397 VanDerWaalsContact NH2-CG 3.26Å; R246-D397 IonicContact NH2-OD1 3.53Å; R246-D397 PolarHBondContact NH2-OD1 2.69Å; R246-D397 IonicContact NH2-OD2 3.41Å; R246-D397 PolarHBondContact NH2-OD2 3.49Å |
| 247 | G | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.5 | -44 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H243 A244 S245 Y250 L251 | H243-G247 PolarHBondContact O-N 3.11Å; A244-G247 PolarHBondContact O-N 2.97Å; A244-G247 VanDerWaalsContact O-N 3.16Å; S245-G247 VanDerWaalsContact C-N 3.33Å; S245-G247 PolarHBondContact O-N 3.28Å; G247-Y250 PolarHBondContact O-N 3.45Å; G247-L251 PolarHBondContact O-N 3.09Å; G247-L251 VanDerWaalsContact O-N 3.08Å |
| 248 | M | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -73.9 | -31.2 | 179.1 | -68.4 | -54.8 | -55.6 | 0 | 0 | 114.1 | A244 S245 R246 Y250 L251 A252 H258 L261 I275 D317 F321 F389 | A244-M248 WeakPolarHBondContact O-CG 3.32Å; A244-M248 PolarHBondContact O-N 3.25Å; S245-M248 CarbonylContact O-C 3.56Å; S245-M248 PolarHBondContact O-N 2.85Å; S245-M248 VanDerWaalsContact O-N 3.16Å; R246-M248 VanDerWaalsContact C-N 3.32Å; M248-Y250 VanDerWaalsContact C-N 3.28Å; M248-Y250 PolarHBondContact O-N 2.96Å; M248-L251 HydrophobicContact CE-CD1 4.31Å; M248-L251 PolarHBondContact O-N 3.26Å; M248-L251 HydrophobicContact SD-CD1 3.75Å; M248-A252 WeakPolarHBondContact O-CB 3.46Å; M248-A252 PolarHBondContact O-N 3.49Å; M248-H258 HydrophobicContact CE-CB 4.18Å; M248-H258 HydrophobicContact SD-CB 4.49Å; M248-L261 HydrophobicContact CE-CD2 4.32Å; M248-L261 HydrophobicContact CG-CD2 3.89Å; M248-L261 HydrophobicContact SD-CD1 4.04Å; M248-L261 HydrophobicContact SD-CD2 3.8Å; M248-L261 HydrophobicContact SD-CG 4.45Å; M248-I275 HydrophobicContact CG-CD1 3.79Å; M248-I275 HydrophobicContact SD-CD1 3.67Å; M248-D317 HydrophobicContact CE-CB 3.69Å; M248-F321 HydrophobicContact CG-CD2 4.47Å; M248-F389 HydrophobicContact CB-CB 4.37Å; M248-F389 HydrophobicContact CB-CD1 3.35Å; M248-F389 HydrophobicContact CB-CD2 3.85Å; M248-F389 HydrophobicContact CB-CE1 3.4Å; M248-F389 HydrophobicContact CB-CE2 3.88Å; M248-F389 HydrophobicContact CB-CG 3.59Å; M248-F389 HydrophobicContact CB-CZ 3.66Å; M248-F389 HydrophobicContact CE-CD2 4.38Å; M248-F389 HydrophobicContact CE-CE1 4.39Å; M248-F389 HydrophobicContact CE-CE2 3.55Å; M248-F389 HydrophobicContact CE-CZ 3.55Å; M248-F389 HydrophobicContact CG-CD1 4.16Å; M248-F389 HydrophobicContact CG-CE1 3.7Å; M248-F389 HydrophobicContact CG-CE2 4.41Å; M248-F389 HydrophobicContact CG-CZ 3.84Å |
| 249 | V | 98.8 | Very high | 97.7 | Very high | 41 Ų | 41 | 28.6 Ų | 28.6 | 25% | 0.248 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.2 | -47.4 | 169.5 | 167.4 | 0 | 0 | 0 | 0 | 110.1 | S245 R246 A252 S253 F389 V390 A393 | S245-V249 WeakPolarHBondContact O-CG2 3.26Å; S245-V249 PolarHBondContact O-N 2.84Å; R246-V249 PolarHBondContact O-N 3.21Å; V249-A252 PolarHBondContact O-N 2.98Å; V249-S253 PolarHBondContact O-N 3.09Å; V249-S253 PolarHBondContact O-OG 3.32Å; V249-F389 VanDerWaalsContact CG2-C 3.43Å; V249-F389 HydrophobicContact CG2-CB 3.8Å; V249-F389 WeakPolarHBondContact CG2-O 3.37Å; V249-V390 HydrophobicContact CG1-CG2 3.97Å; V249-V390 HydrophobicContact CG2-CG2 4.17Å; V249-A393 HydrophobicContact CG2-CB 3.92Å |
| 250 | Y | 98.6 | Very high | 97.5 | Very high | 38 Ų | 38 | 25.7 Ų | 25.7 | 15% | 0.149 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.5 | -45.5 | 177.9 | 173.2 | -106.7 | 0 | 0 | 0 | 112 | L193 R194 H195 L198 R246 G247 M248 A252 S253 E254 | L193-Y250 HydrophobicContact CB-CE1 4.15Å; L193-Y250 HydrophobicContact CD2-CE1 3.83Å; R194-Y250 PolarHBondContact N-OH 3.47Å; H195-Y250 HydrophobicContact CB-CD1 3.4Å; H195-Y250 VanDerWaalsContact CB-CD1 3.4Å; H195-Y250 HydrophobicContact CB-CD2 4.39Å; H195-Y250 HydrophobicContact CB-CE1 3.73Å; H195-Y250 HydrophobicContact CB-CG 3.75Å; H195-Y250 AromaticContact CG-CD1 3.98Å; H195-Y250 AromaticContact CG-CG 3.9Å; L198-Y250 HydrophobicContact CD1-CD1 3.62Å; L198-Y250 HydrophobicContact CD1-CE1 3.69Å; L198-Y250 HydrophobicContact CG-CD1 4.4Å; R246-Y250 PolarHBondContact O-N 3.12Å; G247-Y250 PolarHBondContact O-N 3.45Å; M248-Y250 VanDerWaalsContact C-N 3.28Å; M248-Y250 PolarHBondContact O-N 2.96Å; Y250-A252 VanDerWaalsContact C-N 3.3Å; Y250-A252 PolarHBondContact O-N 3.2Å; Y250-S253 WeakPolarHBondContact CA-OG 3.15Å; Y250-S253 PolarHBondContact O-N 3.28Å; Y250-S253 PolarHBondContact O-OG 3.24Å; Y250-E254 HydrophobicContact CD2-CG 4.19Å; Y250-E254 HydrophobicContact CE1-CG 4.12Å; Y250-E254 HydrophobicContact CE2-CG 3.67Å; Y250-E254 WeakPolarHBondContact CE2-OE1 3.33Å; Y250-E254 WeakPolarHBondContact O-CG 3.45Å; Y250-E254 PolarHBondContact O-N 3.34Å |
| 251 | L | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.6 | -40.7 | 176.7 | -71.1 | 177.6 | 0 | 0 | 0 | 112.2 | L193 L198 G247 M248 E254 K255 C256 | L193-L251 HydrophobicContact CD1-CD2 3.74Å; L193-L251 HydrophobicContact CD2-CD2 4.14Å; L193-L251 HydrophobicContact CG-CD2 4.48Å; L198-L251 HydrophobicContact CD1-CD2 3.78Å; L198-L251 HydrophobicContact CD1-CG 4.25Å; L198-L251 HydrophobicContact CD2-CD1 4.04Å; L198-L251 HydrophobicContact CD2-CD2 4.39Å; L198-L251 HydrophobicContact CD2-CG 4.15Å; G247-L251 PolarHBondContact O-N 3.09Å; G247-L251 VanDerWaalsContact O-N 3.08Å; M248-L251 HydrophobicContact CE-CD1 4.31Å; M248-L251 PolarHBondContact O-N 3.26Å; M248-L251 HydrophobicContact SD-CD1 3.75Å; L251-E254 CarbonylContact O-C 3.5Å; L251-E254 PolarHBondContact O-N 2.95Å; L251-K255 PolarHBondContact O-N 2.86Å; L251-C256 HydrophobicContact CB-CB 4.32Å; L251-C256 HydrophobicContact CD2-CB 4.04Å; L251-C256 WeakPolarHBondContact O-CB 3.5Å; L251-C256 PolarHBondContact O-N 3.01Å |
| 252 | A | 97.4 | Very high | 97.4 | Very high | 25 Ų | 25 | 25.5 Ų | 25.5 | 21% | 0.207 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.9 | -41.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M248 V249 Y250 E254 K255 E314 F389 | M248-A252 WeakPolarHBondContact O-CB 3.46Å; M248-A252 PolarHBondContact O-N 3.49Å; V249-A252 PolarHBondContact O-N 2.98Å; Y250-A252 VanDerWaalsContact C-N 3.3Å; Y250-A252 PolarHBondContact O-N 3.2Å; A252-E254 PolarHBondContact O-N 2.82Å; A252-K255 WeakPolarHBondContact O-CA 3.23Å; A252-K255 PolarHBondContact O-N 3.39Å; A252-E314 HydrophobicContact CB-CG 3.98Å; A252-F389 HydrophobicContact CB-CD2 4.25Å |
| 253 | S | 97.3 | Very high | 97.4 | Very high | 84 Ų | 84 | 25.3 Ų | 25.3 | 59% | 0.587 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -65.2 | -29.2 | 176.1 | 62.3 | 0 | 0 | 0 | 0 | 113.2 | V249 Y250 K255 | V249-S253 PolarHBondContact O-N 3.09Å; V249-S253 PolarHBondContact O-OG 3.32Å; Y250-S253 WeakPolarHBondContact CA-OG 3.15Å; Y250-S253 PolarHBondContact O-N 3.28Å; Y250-S253 PolarHBondContact O-OG 3.24Å; S253-K255 PolarHBondContact O-N 2.67Å |
| 254 | E | 95.9 | Very high | 97.2 | Very high | 88 Ų | 88 | 28.4 Ų | 28.4 | 41% | 0.411 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 8.6 | 173.8 | -63.3 | -63.5 | 150.7 | 0 | 0 | 112.8 | L193 Y250 L251 A252 C256 | L193-E254 HydrophobicContact CD2-CB 3.76Å; L193-E254 HydrophobicContact CD2-CG 3.71Å; Y250-E254 HydrophobicContact CD2-CG 4.19Å; Y250-E254 HydrophobicContact CE1-CG 4.12Å; Y250-E254 HydrophobicContact CE2-CG 3.67Å; Y250-E254 WeakPolarHBondContact CE2-OE1 3.33Å; Y250-E254 WeakPolarHBondContact O-CG 3.45Å; Y250-E254 PolarHBondContact O-N 3.34Å; L251-E254 CarbonylContact O-C 3.5Å; L251-E254 PolarHBondContact O-N 2.95Å; A252-E254 PolarHBondContact O-N 2.82Å; E254-C256 HydrophobicContact CB-CB 4.42Å; E254-C256 PolarHBondContact O-N 2.73Å; E254-C256 VanDerWaalsContact O-N 3.16Å |
| 255 | K | 95.7 | Very high | 97.1 | Very high | 107 Ų | 107 | 29.2 Ų | 29.2 | 47% | 0.465 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 39.9 | -173.9 | -59.1 | -172.2 | 169.2 | -149.2 | 0 | 112.2 | L251 A252 S253 T283 G284 D285 | L251-K255 PolarHBondContact O-N 2.86Å; A252-K255 WeakPolarHBondContact O-CA 3.23Å; A252-K255 PolarHBondContact O-N 3.39Å; S253-K255 PolarHBondContact O-N 2.67Å; K255-T283 CarbonylContact O-C 3.51Å; K255-T283 VanDerWaalsContact O-CA 3.3Å; K255-T283 WeakPolarHBondContact O-CA 3.35Å; K255-G284 PolarHBondContact O-N 3.27Å; K255-D285 WeakPolarHBondContact CD-OD1 3.15Å; K255-D285 WeakPolarHBondContact CE-OD1 3.46Å; K255-D285 IonicContact NZ-OD1 3.02Å; K255-D285 PolarHBondContact NZ-OD1 3.39Å; K255-D285 IonicContact NZ-OD2 2.79Å; K255-D285 PolarHBondContact NZ-OD2 2.81Å |
| 256 | C | 96 | Very high | 97.1 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 5% | 0.047 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 109.2 | -178.3 | -172.9 | 0 | 0 | 0 | 0 | 109.9 | L251 E254 | L251-C256 HydrophobicContact CB-CB 4.32Å; L251-C256 HydrophobicContact CD2-CB 4.04Å; L251-C256 WeakPolarHBondContact O-CB 3.5Å; L251-C256 PolarHBondContact O-N 3.01Å; E254-C256 HydrophobicContact CB-CB 4.42Å; E254-C256 PolarHBondContact O-N 2.73Å; E254-C256 VanDerWaalsContact O-N 3.16Å |
| 257 | I | 96.1 | Very high | 97.1 | Very high | 5 Ų | 5 | 26.9 Ų | 26.9 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 116.5 | 174.2 | -47.8 | 164.7 | 0 | 0 | 0 | 107.7 | R259 A281 R282 G284 Y312 T313 D317 | I257-R259 HydrophobicContact CB-CG 4.19Å; I257-R259 HydrophobicContact CG2-CG 3.57Å; I257-A281 CarbonylContact O-C 3.54Å; I257-A281 WeakPolarHBondContact O-CA 2.96Å; I257-A281 WeakPolarHBondContact O-CB 3.22Å; I257-R282 PolarHBondContact N-O 3.46Å; I257-R282 PolarHBondContact O-N 3.46Å; I257-G284 VanDerWaalsContact CD1-O 3.3Å; I257-G284 WeakPolarHBondContact CD1-O 3.41Å; I257-G284 WeakPolarHBondContact CG1-O 3.34Å; I257-Y312 WeakPolarHBondContact CD1-O 3.08Å; I257-T313 WeakPolarHBondContact CG2-O 3.23Å; I257-D317 WeakPolarHBondContact CA-OD2 3.3Å; I257-D317 VanDerWaalsContact CG2-OD2 3.29Å; I257-D317 WeakPolarHBondContact CG2-OD2 3.25Å |
| 258 | H | 95.8 | Very high | 97 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -67.4 | -46.7 | -176.5 | -167.8 | -75.9 | 0 | 0 | 0 | 112.2 | M248 D260 L261 I275 A276 A281 D317 | M248-H258 HydrophobicContact CE-CB 4.18Å; M248-H258 HydrophobicContact SD-CB 4.49Å; H258-D260 PolarHBondContact CE1-O 3.1Å; H258-D260 PolarHBondContact ND1-N 2.73Å; H258-D260 PolarHBondContact ND1-O 2.81Å; H258-D260 PolarHBondContact O-N 3.28Å; H258-L261 PolarHBondContact ND1-N 3.04Å; H258-L261 VanDerWaalsContact ND1-N 3.14Å; H258-I275 VanDerWaalsContact NE2-CG2 3.25Å; H258-I275 WeakPolarHBondContact NE2-CG2 3.42Å; H258-A276 PolarHBondContact NE2-O 3.39Å; H258-A281 WeakPolarHBondContact O-CA 3.47Å; H258-A281 PolarHBondContact O-N 2.9Å; H258-D317 PolarHBondContact N-OD2 2.95Å | ||
| 259 | R | 94.9 | Very high | 97 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 3% | 0.03 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 66.1 | -8.1 | 178.1 | -56.8 | 179.1 | 44 | -133.7 | -16 | 117.3 | I257 M280 Y287 P298 Y312 D317 | I257-R259 HydrophobicContact CB-CG 4.19Å; I257-R259 HydrophobicContact CG2-CG 3.57Å; R259-M280 HydrophobicContact CB-CB 4.28Å; R259-M280 WeakPolarHBondContact CD-O 3.46Å; R259-M280 PolarHBondContact NH1-O 3.33Å; R259-Y287 VanDerWaalsContact CZ-CE1 3.48Å; R259-P298 WeakPolarHBondContact O-CG 3.45Å; R259-Y312 HydrophobicContact CB-CD1 3.94Å; R259-Y312 HydrophobicContact CB-CE1 4.21Å; R259-Y312 HydrophobicContact CG-CD1 3.6Å; R259-Y312 HydrophobicContact CG-CE1 4.33Å; R259-Y312 HydrophobicContact CG-CG 3.85Å; R259-D317 WeakPolarHBondContact CA-OD1 3.43Å; R259-D317 PolarHBondContact N-OD1 2.69Å |
| 260 | D | 94.5 | Very high | 96.9 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 10% | 0.096 | 17% | 0.168 | C | C | . | . | trans | -139.1 | 39.3 | 176.6 | -162.4 | 24.2 | 0 | 0 | 0 | 112.6 | H258 A262 R264 N265 M280 P298 | H258-D260 PolarHBondContact CE1-O 3.1Å; H258-D260 PolarHBondContact ND1-N 2.73Å; H258-D260 PolarHBondContact ND1-O 2.81Å; H258-D260 PolarHBondContact O-N 3.28Å; D260-A262 PolarHBondContact O-N 2.75Å; D260-R264 IonicContact OD1-CZ 2.96Å; D260-R264 IonicContact OD1-NH2 3.75Å; D260-R264 PolarHBondContact OD1-NH2 2.75Å; D260-N265 PolarHBondContact O-ND2 3.14Å; D260-N265 PolarHBondContact OD2-ND2 3.1Å; D260-M280 HydrophobicContact CB-CB 4.13Å; D260-M280 HydrophobicContact CB-CG 4.21Å; D260-M280 HydrophobicContact CB-SD 3.82Å; D260-P298 VanDerWaalsContact OD1-CB 3.22Å; D260-P298 WeakPolarHBondContact OD1-CB 3.32Å | ||
| 261 | L | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -74.2 | 118.7 | 180 | -178.9 | 68.7 | 0 | 0 | 0 | 109.9 | M248 H258 I275 S320 F321 L324 | M248-L261 HydrophobicContact CE-CD2 4.32Å; M248-L261 HydrophobicContact CG-CD2 3.89Å; M248-L261 HydrophobicContact SD-CD1 4.04Å; M248-L261 HydrophobicContact SD-CD2 3.8Å; M248-L261 HydrophobicContact SD-CG 4.45Å; H258-L261 PolarHBondContact ND1-N 3.04Å; H258-L261 VanDerWaalsContact ND1-N 3.14Å; L261-I275 HydrophobicContact CD1-CD1 4.2Å; L261-I275 HydrophobicContact CD1-CG1 4.37Å; L261-I275 HydrophobicContact CD1-CG2 4.09Å; L261-S320 WeakPolarHBondContact O-CB 3.37Å; L261-F321 HydrophobicContact CD2-CB 3.83Å; L261-F321 HydrophobicContact CD2-CD2 4.07Å; L261-F321 HydrophobicContact CD2-CG 4.48Å; L261-L324 HydrophobicContact CD1-CD2 4.1Å; L261-L324 HydrophobicContact CD2-CD2 4.46Å; L261-L324 HydrophobicContact CG-CD2 4.2Å | ||
| 262 | A | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -162.9 | 163.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | D260 R264 N265 W301 | D260-A262 PolarHBondContact O-N 2.75Å; A262-R264 HydrophobicContact CB-CG 4Å; A262-R264 PolarHBondContact O-N 3.25Å; A262-N265 CarbonylContact O-C 3.58Å; A262-N265 PolarHBondContact O-N 2.98Å; A262-W301 HydrophobicContact CB-CD2 4.06Å; A262-W301 HydrophobicContact CB-CG 4.05Å; A262-W301 HydrophobicContact CB-CZ2 4.34Å; A262-W301 VanDerWaalsContact CB-NE1 3.33Å |
| 263 | A | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -61.1 | -31.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L221 L222 N265 C266 L324 E327 | L221-A263 HydrophobicContact CD2-CB 3.94Å; L222-A263 HydrophobicContact CD2-CB 3.64Å; L222-A263 HydrophobicContact CG-CB 4.15Å; A263-N265 PolarHBondContact O-N 3.28Å; A263-C266 PolarHBondContact O-N 3.17Å; A263-L324 HydrophobicContact CB-CD1 3.85Å; A263-E327 HydrophobicContact CB-CB 3.85Å; A263-E327 HydrophobicContact CB-CG 4.31Å; A263-E327 PolarHBondContact N-OE2 2.96Å |
| 264 | R | 95.3 | Very high | 96.8 | Very high | 84 Ų | 84 | 35.2 Ų | 35.2 | 32% | 0.317 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -61.8 | -26 | 173.8 | 66 | 173.8 | 175.6 | -74.1 | -4.8 | 113.9 | L222 D260 A262 | L222-R264 HydrophobicContact CD1-CB 3.91Å; D260-R264 IonicContact OD1-CZ 2.96Å; D260-R264 IonicContact OD1-NH2 3.75Å; D260-R264 PolarHBondContact OD1-NH2 2.75Å; A262-R264 HydrophobicContact CB-CG 4Å; A262-R264 PolarHBondContact O-N 3.25Å |
| 265 | N | 95.8 | Very high | 96.9 | Very high | 16 Ų | 16 | 31.1 Ų | 31.1 | 9% | 0.086 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -103.5 | 21.2 | -179.1 | -67.4 | -17.4 | 0 | 0 | 0 | 111.4 | D260 A262 A263 A276 D277 | D260-N265 PolarHBondContact O-ND2 3.14Å; D260-N265 PolarHBondContact OD2-ND2 3.1Å; A262-N265 CarbonylContact O-C 3.58Å; A262-N265 PolarHBondContact O-N 2.98Å; A263-N265 PolarHBondContact O-N 3.28Å; N265-A276 PolarHBondContact O-N 3.32Å; N265-D277 HydrophobicContact CB-CB 4.37Å |
| 266 | C | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 139.4 | 172.1 | -71.7 | 0 | 0 | 0 | 0 | 109.8 | L221 A263 L273 K274 | L221-C266 HydrophobicContact CB-CB 3.79Å; L221-C266 VanDerWaalsContact CB-O 3.28Å; L221-C266 WeakPolarHBondContact CB-O 3.3Å; L221-C266 HydrophobicContact CD2-CB 3.64Å; L221-C266 HydrophobicContact CG-CB 4.37Å; L221-C266 PolarHBondContact N-O 3.11Å; A263-C266 PolarHBondContact O-N 3.17Å; C266-L273 HydrophobicContact CB-CD1 4.23Å; C266-L273 HydrophobicContact CB-CD2 4.24Å; C266-L273 HydrophobicContact CB-CG 4.15Å; C266-K274 WeakPolarHBondContact CA-O 3.32Å |
| 267 | L | 98.3 | Very high | 96.4 | Very high | 42 Ų | 42 | 28.3 Ų | 28.3 | 22% | 0.22 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 162.6 | 179.6 | -55.3 | -179.2 | 0 | 0 | 0 | 110.2 | V199 C217 T220 L273 K274 A276 | V199-L267 HydrophobicContact CG2-CD1 3.81Å; V199-L267 HydrophobicContact CG2-CG 4.47Å; C217-L267 HydrophobicContact CB-CB 3.71Å; C217-L267 HydrophobicContact CB-CD1 3.91Å; C217-L267 HydrophobicContact CB-CG 4.4Å; T220-L267 HydrophobicContact CG2-CD2 3.94Å; L267-L273 CarbonylContact O-C 3.6Å; L267-L273 WeakPolarHBondContact O-CA 3.46Å; L267-K274 PolarHBondContact N-O 2.95Å; L267-K274 PolarHBondContact O-N 3.35Å; L267-A276 HydrophobicContact CD1-CB 3.95Å; L267-A276 HydrophobicContact CG-CB 3.95Å |
| 268 | I | 98.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.5 | 175 | -57.9 | -59.7 | 0 | 0 | 0 | 109.5 | C217 D218 T219 L221 Y224 L240 R272 L273 | C217-I268 WeakPolarHBondContact CB-O 3.32Å; D218-I268 WeakPolarHBondContact CB-O 3.37Å; D218-I268 PolarHBondContact N-O 2.94Å; T219-I268 HydrophobicContact CG2-CB 4.19Å; T219-I268 PolarHBondContact N-O 3.09Å; T219-I268 PolarHBondContact O-N 3.33Å; L221-I268 HydrophobicContact CD1-CD1 4Å; Y224-I268 HydrophobicContact CD1-CD1 4.24Å; Y224-I268 HydrophobicContact CD1-CG1 3.99Å; Y224-I268 HydrophobicContact CD2-CB 4.49Å; Y224-I268 HydrophobicContact CD2-CG1 4.14Å; Y224-I268 HydrophobicContact CD2-CG2 4.23Å; Y224-I268 HydrophobicContact CE2-CG2 4.31Å; Y224-I268 HydrophobicContact CG-CD1 4.47Å; Y224-I268 HydrophobicContact CG-CG1 3.72Å; L240-I268 HydrophobicContact CD2-CD1 3.74Å; I268-R272 CarbonylContact C-O 3.59Å; I268-R272 WeakPolarHBondContact CA-O 3.34Å; I268-L273 HydrophobicContact CD1-CB 4.03Å; I268-L273 HydrophobicContact CD1-CG 4.49Å |
| 269 | R | 98 | Very high | 95.2 | Very high | 76 Ų | 76 | 28.2 Ų | 28.2 | 29% | 0.287 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 120.3 | 170.6 | -169.7 | 176.2 | 179.1 | -109.4 | -17.5 | 110.5 | E215 L216 C217 D218 G271 R272 K274 | E215-R269 WeakPolarHBondContact OE2-CD 3.31Å; E215-R269 IonicContact OE2-CZ 2.79Å; E215-R269 IonicContact OE2-NE 3.37Å; E215-R269 PolarHBondContact OE2-NE 2.85Å; E215-R269 IonicContact OE2-NH1 2.72Å; E215-R269 PolarHBondContact OE2-NH1 3.2Å; L216-R269 WeakPolarHBondContact O-CD 3.47Å; L216-R269 PolarHBondContact O-NE 3.49Å; C217-R269 HydrophobicContact CB-CB 4.32Å; D218-R269 WeakPolarHBondContact OD2-CA 3.35Å; R269-G271 PolarHBondContact O-N 3.43Å; R269-R272 PolarHBondContact N-O 3.34Å; R269-R272 WeakPolarHBondContact O-CB 3.41Å; R269-R272 PolarHBondContact O-N 2.86Å; R269-K274 HydrophobicContact CB-CD 3.84Å |
| 270 | H | 95.9 | Very high | 94.6 | Very high | 127 Ų | 127 | 28.2 Ų | 28.2 | 59% | 0.588 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 45.2 | -177.1 | -51.2 | -45.4 | 0 | 0 | 0 | 112.3 | D218 R272 | D218-H270 PolarHBondContact OD2-N 2.71Å; H270-R272 PolarHBondContact O-N 3.22Å |
| 271 | G | 94 | Very high | 94.3 | Very high | 25 Ų | 25 | 27.3 Ų | 27.3 | 26% | 0.258 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | 9.8 | -179 | 0 | 0 | 0 | 0 | 0 | 115.3 | H243 R269 | H243-G271 PolarHBondContact CE1-O 3.43Å; R269-G271 PolarHBondContact O-N 3.43Å |
| 272 | R | 98.2 | Very high | 93.9 | Very high | 118 Ų | 118 | 29 Ų | 29 | 45% | 0.445 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 137 | 173 | -58.7 | -178 | -169.8 | -179.8 | 3.9 | 110.3 | I268 R269 H270 | I268-R272 CarbonylContact C-O 3.59Å; I268-R272 WeakPolarHBondContact CA-O 3.34Å; R269-R272 PolarHBondContact N-O 3.34Å; R269-R272 WeakPolarHBondContact O-CB 3.41Å; R269-R272 PolarHBondContact O-N 2.86Å; H270-R272 PolarHBondContact O-N 3.22Å |
| 273 | L | 98.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 135.9 | 169.7 | -178.8 | 159.7 | 0 | 0 | 0 | 108.7 | H197 L221 L240 H243 A244 C266 L267 I268 I275 | H197-L273 PolarHBondContact ND1-O 3.46Å; H197-L273 VanDerWaalsContact ND1-O 3.12Å; L221-L273 HydrophobicContact CD1-CD1 4.17Å; L221-L273 HydrophobicContact CD2-CD1 3.75Å; L240-L273 HydrophobicContact CB-CD1 4.09Å; L240-L273 HydrophobicContact CD2-CB 4.07Å; H243-L273 HydrophobicContact CB-CB 3.75Å; H243-L273 PolarHBondContact ND1-N 2.65Å; H243-L273 VanDerWaalsContact ND1-N 3.16Å; A244-L273 HydrophobicContact CB-CD1 4.23Å; A244-L273 HydrophobicContact CB-CD2 3.72Å; C266-L273 HydrophobicContact CB-CD1 4.23Å; C266-L273 HydrophobicContact CB-CD2 4.24Å; C266-L273 HydrophobicContact CB-CG 4.15Å; L267-L273 CarbonylContact O-C 3.6Å; L267-L273 WeakPolarHBondContact O-CA 3.46Å; I268-L273 HydrophobicContact CD1-CB 4.03Å; I268-L273 HydrophobicContact CD1-CG 4.49Å; L273-I275 HydrophobicContact CD2-CG1 4.2Å |
| 274 | K | 98.7 | Very high | 93 | Very high | 15 Ų | 15 | 34.7 Ų | 34.7 | 7% | 0.065 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 125.9 | 176.1 | -71.7 | 174.9 | 167.4 | -79.3 | 0 | 109.6 | Q196 H197 L198 V199 E215 C266 L267 R269 | Q196-K274 WeakPolarHBondContact O-CE 3.07Å; Q196-K274 PolarHBondContact O-NZ 2.82Å; H197-K274 CarbonylContact O-C 3.51Å; H197-K274 WeakPolarHBondContact O-CA 3.25Å; L198-K274 PolarHBondContact O-NZ 2.71Å; V199-K274 HydrophobicContact CG2-CB 4.07Å; E215-K274 VanDerWaalsContact OE1-CD 3.31Å; E215-K274 WeakPolarHBondContact OE1-CD 3.34Å; E215-K274 WeakPolarHBondContact OE1-CE 3.47Å; E215-K274 IonicContact OE1-NZ 2.8Å; E215-K274 PolarHBondContact OE1-NZ 3.45Å; E215-K274 IonicContact OE2-NZ 3.79Å; C266-K274 WeakPolarHBondContact CA-O 3.32Å; L267-K274 PolarHBondContact N-O 2.95Å; L267-K274 PolarHBondContact O-N 3.35Å; R269-K274 HydrophobicContact CB-CD 3.84Å |
| 275 | I | 98.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 134.3 | 172.8 | -55.2 | 170.9 | 0 | 0 | 0 | 108 | H197 L198 V199 M248 H258 L261 L273 | H197-I275 PolarHBondContact O-N 3.44Å; L198-I275 WeakPolarHBondContact CA-O 3.4Å; L198-I275 HydrophobicContact CD2-CB 3.72Å; L198-I275 HydrophobicContact CD2-CD1 4.23Å; L198-I275 HydrophobicContact CD2-CG1 4.38Å; L198-I275 HydrophobicContact CD2-CG2 4.39Å; V199-I275 PolarHBondContact N-O 2.9Å; M248-I275 HydrophobicContact CG-CD1 3.79Å; M248-I275 HydrophobicContact SD-CD1 3.67Å; H258-I275 VanDerWaalsContact NE2-CG2 3.25Å; H258-I275 WeakPolarHBondContact NE2-CG2 3.42Å; L261-I275 HydrophobicContact CD1-CD1 4.2Å; L261-I275 HydrophobicContact CD1-CG1 4.37Å; L261-I275 HydrophobicContact CD1-CG2 4.09Å; L273-I275 HydrophobicContact CD2-CG1 4.2Å |
| 276 | A | 94.5 | Very high | 92.5 | Very high | 13 Ų | 13 | 40.6 Ų | 40.6 | 11% | 0.107 | 21% | 0.21 | C | C | . | . | trans | -126 | 176.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | V199 H258 N265 L267 | V199-A276 HydrophobicContact CB-CB 4.48Å; V199-A276 HydrophobicContact CG2-CB 3.58Å; H258-A276 PolarHBondContact NE2-O 3.39Å; N265-A276 PolarHBondContact O-N 3.32Å; L267-A276 HydrophobicContact CD1-CB 3.95Å; L267-A276 HydrophobicContact CG-CB 3.95Å | ||
| 277 | D | 86.6 | Confident | 92.1 | Very high | 43 Ų | 43 | 42.2 Ų | 42.2 | 23% | 0.23 | 22% | 0.216 | C | C | . | . | trans | 56.9 | 76 | 175.1 | -157.6 | -7.5 | 0 | 0 | 0 | 115.3 | K168 N265 G279 | K168-D277 IonicContact NZ-OD1 3.37Å; K168-D277 PolarHBondContact NZ-OD1 2.69Å; N265-D277 HydrophobicContact CB-CB 4.37Å; D277-G279 PolarHBondContact O-N 3.36Å; D277-G279 PolarHBondContact OD1-N 2.68Å; D277-G279 VanDerWaalsContact OD1-N 3.11Å | ||
| 278 | L | 84.5 | Confident | 91.6 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -82.9 | 18.7 | 171.4 | -60.5 | -175.5 | 0 | 0 | 0 | 112.8 | R189 Q190 L193 M280 A281 | R189-L278 HydrophobicContact CB-CD1 4.48Å; R189-L278 VanDerWaalsContact CZ-O 3.26Å; R189-L278 PolarHBondContact NE-O 3.47Å; R189-L278 PolarHBondContact NH2-O 3.37Å; Q190-L278 VanDerWaalsContact OE1-CG 3.23Å; L193-L278 HydrophobicContact CD1-CD1 3.29Å; L278-M280 PolarHBondContact O-N 3.3Å; L278-A281 HydrophobicContact CB-CB 4.01Å; L278-A281 HydrophobicContact CD2-CB 4.1Å; L278-A281 WeakPolarHBondContact O-CB 3.07Å; L278-A281 PolarHBondContact O-N 3.24Å; L278-A281 VanDerWaalsContact O-N 3.11Å |
| 279 | G | 81.4 | Confident | 90.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -61.2 | -28.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | R189 D277 | R189-G279 PolarHBondContact NH2-O 2.91Å; D277-G279 PolarHBondContact O-N 3.36Å; D277-G279 PolarHBondContact OD1-N 2.68Å; D277-G279 VanDerWaalsContact OD1-N 3.11Å |
| 280 | M | 82.8 | Confident | 89.8 | Confident | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -97 | -10.5 | 176.4 | -62.6 | -165.9 | 72.1 | 0 | 0 | 114.2 | R259 D260 L278 R282 | R259-M280 HydrophobicContact CB-CB 4.28Å; R259-M280 WeakPolarHBondContact CD-O 3.46Å; R259-M280 PolarHBondContact NH1-O 3.33Å; D260-M280 HydrophobicContact CB-CB 4.13Å; D260-M280 HydrophobicContact CB-CG 4.21Å; D260-M280 HydrophobicContact CB-SD 3.82Å; L278-M280 PolarHBondContact O-N 3.3Å; M280-R282 PolarHBondContact O-NH1 3.38Å |
| 281 | A | 87.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -66.7 | 152.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R189 I257 H258 L278 | R189-A281 WeakPolarHBondContact CD-O 3.39Å; R189-A281 PolarHBondContact NE-O 3.12Å; R189-A281 VanDerWaalsContact NE-O 3.1Å; R189-A281 PolarHBondContact NH1-O 3.01Å; R189-A281 VanDerWaalsContact NH1-O 3.11Å; I257-A281 CarbonylContact O-C 3.54Å; I257-A281 WeakPolarHBondContact O-CA 2.96Å; I257-A281 WeakPolarHBondContact O-CB 3.22Å; H258-A281 WeakPolarHBondContact O-CA 3.47Å; H258-A281 PolarHBondContact O-N 2.9Å; L278-A281 HydrophobicContact CB-CB 4.01Å; L278-A281 HydrophobicContact CD2-CB 4.1Å; L278-A281 WeakPolarHBondContact O-CB 3.07Å; L278-A281 PolarHBondContact O-N 3.24Å; L278-A281 VanDerWaalsContact O-N 3.11Å | ||
| 282 | R | 89.9 | Confident | 86.6 | Confident | 34 Ų | 34 | 55.9 Ų | 55.9 | 13% | 0.128 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 138.4 | -178 | -66.4 | -67.2 | -179.8 | -95 | 8.8 | 110.9 | I257 M280 Y287 | I257-R282 PolarHBondContact N-O 3.46Å; I257-R282 PolarHBondContact O-N 3.46Å; M280-R282 PolarHBondContact O-NH1 3.38Å; R282-Y287 HydrophobicContact CB-CD1 4.44Å; R282-Y287 HydrophobicContact CB-CD2 4.01Å; R282-Y287 HydrophobicContact CB-CG 3.9Å; R282-Y287 HydrophobicContact CG-CD1 3.82Å; R282-Y287 HydrophobicContact CG-CD2 3.69Å; R282-Y287 HydrophobicContact CG-CE1 4Å; R282-Y287 HydrophobicContact CG-CE2 3.91Å; R282-Y287 HydrophobicContact CG-CG 3.66Å |
| 283 | T | 87.9 | Confident | 84.5 | Confident | 98 Ų | 98 | 56.3 Ų | 56.3 | 60% | 0.601 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 140.9 | 173.7 | -48.2 | 0 | 0 | 0 | 0 | 110.1 | K255 | K255-T283 CarbonylContact O-C 3.51Å; K255-T283 VanDerWaalsContact O-CA 3.3Å; K255-T283 WeakPolarHBondContact O-CA 3.35Å |
| 284 | G | 90.2 | Very high | 82.5 | Confident | 23 Ų | 23 | 65.5 Ų | 65.5 | 24% | 0.237 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 117.7 | 165 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K255 I257 | K255-G284 PolarHBondContact O-N 3.27Å; I257-G284 VanDerWaalsContact CD1-O 3.3Å; I257-G284 WeakPolarHBondContact CD1-O 3.41Å; I257-G284 WeakPolarHBondContact CG1-O 3.34Å |
| 285 | D | 89.7 | Confident | 80.9 | Confident | 99 Ų | 99 | 67.3 Ų | 67.3 | 53% | 0.529 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -76.7 | -32.7 | -175.8 | -57.7 | -55.5 | 0 | 0 | 0 | 112.2 | K255 | K255-D285 WeakPolarHBondContact CD-OD1 3.15Å; K255-D285 WeakPolarHBondContact CE-OD1 3.46Å; K255-D285 IonicContact NZ-OD1 3.02Å; K255-D285 PolarHBondContact NZ-OD1 3.39Å; K255-D285 IonicContact NZ-OD2 2.79Å; K255-D285 PolarHBondContact NZ-OD2 2.81Å |
| 286 | I | 90.7 | Very high | 79.6 | Confident | 124 Ų | 124 | 70.9 Ų | 70.9 | 64% | 0.636 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 129.4 | 179.2 | -54.5 | 176.1 | 0 | 0 | 0 | 109.5 | T313 | I286-T313 HydrophobicContact CB-CG2 4.48Å; I286-T313 HydrophobicContact CG1-CG2 4.06Å; I286-T313 HydrophobicContact CG2-CG2 4.37Å |
| 287 | Y | 89.4 | Confident | 79.1 | Confident | 34 Ų | 34 | 71.7 Ų | 71.7 | 13% | 0.133 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 111.1 | 172.6 | 177.6 | -105.9 | 0 | 0 | 0 | 111.5 | R259 R282 M289 R293 Y312 | R259-Y287 VanDerWaalsContact CZ-CE1 3.48Å; R282-Y287 HydrophobicContact CB-CD1 4.44Å; R282-Y287 HydrophobicContact CB-CD2 4.01Å; R282-Y287 HydrophobicContact CB-CG 3.9Å; R282-Y287 HydrophobicContact CG-CD1 3.82Å; R282-Y287 HydrophobicContact CG-CD2 3.69Å; R282-Y287 HydrophobicContact CG-CE1 4Å; R282-Y287 HydrophobicContact CG-CE2 3.91Å; R282-Y287 HydrophobicContact CG-CG 3.66Å; Y287-M289 HydrophobicContact CE1-CB 3.85Å; Y287-M289 HydrophobicContact CE1-CG 4.14Å; Y287-R293 PolarHBondContact OH-NH1 3.04Å; Y287-Y312 HydrophobicContact CD1-CD2 4.16Å; Y287-Y312 PolarHBondContact N-O 2.85Å; Y287-Y312 PolarHBondContact O-N 3.25Å |
| 288 | K | 87.3 | Confident | 79.4 | Confident | 147 Ų | 147 | 70 Ų | 70 | 64% | 0.639 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 115.4 | 172.7 | -175.2 | 167.4 | -174.5 | -179.4 | 0 | 110.3 | N311 | K288-N311 VanDerWaalsContact CG-OD1 3.31Å; K288-N311 WeakPolarHBondContact CG-OD1 3.48Å |
| 289 | M | 83.4 | Confident | 79.9 | Confident | 11 Ų | 11 | 71.2 Ų | 71.2 | 5% | 0.054 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 123.8 | 178 | -165.2 | -177.4 | 79.2 | 0 | 0 | 110.8 | Y287 L297 R310 Y312 | Y287-M289 HydrophobicContact CE1-CB 3.85Å; Y287-M289 HydrophobicContact CE1-CG 4.14Å; M289-L297 HydrophobicContact CE-CD2 4.07Å; M289-L297 HydrophobicContact SD-CD2 4.33Å; M289-R310 HydrophobicContact CB-CB 4.14Å; M289-R310 HydrophobicContact CE-CG 4.5Å; M289-R310 PolarHBondContact N-O 3Å; M289-Y312 HydrophobicContact CB-CE2 4.35Å |
| 290 | H | 77 | Confident | 80.6 | Confident | 133 Ų | 133 | 72.9 Ų | 72.9 | 62% | 0.616 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 140.2 | 176.9 | -66.7 | -79.4 | 0 | 0 | 0 | 112.5 | ||
| 291 | Q | 63.4 | Low | 81.3 | Confident | 195 Ų | 195 | 73.9 Ų | 73.9 | 91% | 0.911 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 134.1 | 171.7 | -63.7 | 179.6 | 0.8 | 0 | 0 | 109.3 | ||
| 292 | G | 58 | Low | 81.8 | Confident | 75 Ų | 75 | 74 Ų | 74 | 77% | 0.773 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.7 | -11.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116 | Q294 | G292-Q294 PolarHBondContact O-N 2.68Å; G292-Q294 VanDerWaalsContact O-N 3.1Å |
| 293 | R | 55.3 | Low | 82.1 | Confident | 127 Ų | 127 | 72.4 Ų | 72.4 | 48% | 0.479 | 38% | 0.376 | S | S | . | . | trans | -67.9 | 111.3 | 169.6 | -77.3 | -168.9 | 173.8 | 179.9 | -1.2 | 109.9 | Y287 K295 | Y287-R293 PolarHBondContact OH-NH1 3.04Å; R293-K295 PolarHBondContact O-N 2.9Å | ||
| 294 | Q | 56.7 | Low | 82.5 | Confident | 193 Ų | 193 | 68.3 Ų | 68.3 | 90% | 0.902 | 35% | 0.351 | S | S | * | . | trans | -68.9 | 8.3 | -179.3 | -68.7 | -176.1 | -15 | 0 | 0 | 115.2 | G292 | G292-Q294 PolarHBondContact O-N 2.68Å; G292-Q294 VanDerWaalsContact O-N 3.1Å | ||
| 295 | K | 64.4 | Low | 82.8 | Confident | 53 Ų | 53 | 69.1 Ų | 69.1 | 23% | 0.23 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 130.5 | -179.2 | -75.6 | -160.3 | -179.5 | -163.6 | 0 | 109.9 | F147 S182 R293 L297 | F147-K295 HydrophobicContact CE1-CD 4.43Å; F147-K295 VanDerWaalsContact CE1-NZ 3.29Å; F147-K295 HydrophobicContact CZ-CD 4.25Å; S182-K295 PolarHBondContact OG-NZ 3.45Å; R293-K295 PolarHBondContact O-N 2.9Å; K295-L297 PolarHBondContact O-N 3.18Å |
| 296 | P | 70.9 | Confident | 83 | Confident | 77 Ų | 77 | 64.4 Ų | 64.4 | 50% | 0.5 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 137.6 | 170.6 | -21.1 | 31.4 | 0 | 0 | 0 | 109.6 | ||
| 297 | L | 84.3 | Confident | 83.1 | Confident | 30 Ų | 30 | 59 Ų | 59 | 16% | 0.157 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 145.4 | 171.8 | -68.9 | -169.7 | 0 | 0 | 0 | 110.2 | M289 K295 V299 L307 Y312 | M289-L297 HydrophobicContact CE-CD2 4.07Å; M289-L297 HydrophobicContact SD-CD2 4.33Å; K295-L297 PolarHBondContact O-N 3.18Å; L297-V299 HydrophobicContact CB-CG2 4.12Å; L297-V299 PolarHBondContact O-N 2.92Å; L297-L307 HydrophobicContact CD1-CD2 3.95Å; L297-Y312 VanDerWaalsContact CD2-OH 3.24Å; L297-Y312 WeakPolarHBondContact CD2-OH 3.45Å |
| 298 | P | 92.3 | Very high | 83.2 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 5% | 0.052 | 31% | 0.312 | C | S | . | . | trans | -76.6 | 68.5 | 168.5 | 32.6 | -33.5 | 0 | 0 | 0 | 110.1 | R259 D260 K300 W301 T302 | R259-P298 WeakPolarHBondContact O-CG 3.45Å; D260-P298 VanDerWaalsContact OD1-CB 3.22Å; D260-P298 WeakPolarHBondContact OD1-CB 3.32Å; P298-K300 VanDerWaalsContact C-N 3.3Å; P298-K300 PolarHBondContact O-N 2.94Å; P298-K300 VanDerWaalsContact O-N 3.17Å; P298-W301 HydrophobicContact CB-CB 4.41Å; P298-W301 HydrophobicContact CB-CE3 4.03Å; P298-W301 PolarHBondContact O-N 3.19Å; P298-T302 PolarHBondContact O-N 2.79Å; P298-T302 VanDerWaalsContact O-N 3.11Å; P298-T302 PolarHBondContact O-OG1 3.04Å | ||
| 299 | V | 95 | Very high | 83.4 | Confident | 27 Ų | 27 | 57.3 Ų | 57.3 | 16% | 0.164 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -49.4 | -48.3 | -168.7 | 171.1 | 0 | 0 | 0 | 0 | 112.5 | L297 W301 T302 F347 V348 L351 | L297-V299 HydrophobicContact CB-CG2 4.12Å; L297-V299 PolarHBondContact O-N 2.92Å; V299-W301 PolarHBondContact O-N 2.99Å; V299-T302 PolarHBondContact O-N 3.33Å; V299-F347 HydrophobicContact CG1-CD1 4.1Å; V299-F347 HydrophobicContact CG1-CE1 3.97Å; V299-V348 HydrophobicContact CB-CG2 4.38Å; V299-V348 HydrophobicContact CG1-CB 4.36Å; V299-V348 HydrophobicContact CG1-CG1 4.49Å; V299-V348 HydrophobicContact CG1-CG2 3.77Å; V299-V348 HydrophobicContact CG2-CG2 3.68Å; V299-L351 HydrophobicContact CG1-CD2 3.76Å |
| 300 | K | 97.1 | Very high | 83.8 | Confident | 35 Ų | 35 | 60.9 Ų | 60.9 | 15% | 0.152 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -66.7 | -19.4 | -177.3 | -61.5 | 174.9 | 168.7 | -151.5 | 0 | 113.9 | P298 S334 P335 Y336 F347 | P298-K300 VanDerWaalsContact C-N 3.3Å; P298-K300 PolarHBondContact O-N 2.94Å; P298-K300 VanDerWaalsContact O-N 3.17Å; K300-S334 PolarHBondContact NZ-OG 2.78Å; K300-P335 HydrophobicContact CB-CB 4.27Å; K300-P335 VanDerWaalsContact CD-O 3.22Å; K300-P335 WeakPolarHBondContact CD-O 3.33Å; K300-P335 VanDerWaalsContact CE-O 3.28Å; K300-P335 WeakPolarHBondContact CE-O 3.49Å; K300-P335 PolarHBondContact NZ-O 2.85Å; K300-Y336 HydrophobicContact CB-CD2 4.17Å; K300-Y336 HydrophobicContact CG-CD2 4.41Å; K300-Y336 WeakPolarHBondContact O-CE2 3.48Å; K300-F347 HydrophobicContact CD-CE1 4.48Å; K300-F347 HydrophobicContact CG-CE1 3.71Å; K300-F347 HydrophobicContact CG-CZ 3.93Å |
| 301 | W | 98 | Very high | 84.6 | Confident | 29 Ų | 29 | 57.3 Ų | 57.3 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -105 | -6 | -179.4 | -61.3 | -98.9 | 0 | 0 | 0 | 112.5 | A262 P298 V299 W319 S320 V323 E327 P335 | A262-W301 HydrophobicContact CB-CD2 4.06Å; A262-W301 HydrophobicContact CB-CG 4.05Å; A262-W301 HydrophobicContact CB-CZ2 4.34Å; A262-W301 VanDerWaalsContact CB-NE1 3.33Å; P298-W301 HydrophobicContact CB-CB 4.41Å; P298-W301 HydrophobicContact CB-CE3 4.03Å; P298-W301 PolarHBondContact O-N 3.19Å; V299-W301 PolarHBondContact O-N 2.99Å; W301-W319 VanDerWaalsContact O-CD1 3.25Å; W301-S320 WeakPolarHBondContact O-CA 3.45Å; W301-S320 PolarHBondContact O-OG 3.32Å; W301-V323 VanDerWaalsContact CD1-CG1 3.4Å; W301-V323 HydrophobicContact CG-CB 4.43Å; W301-V323 HydrophobicContact CG-CG1 4.09Å; W301-E327 WeakPolarHBondContact CZ2-OE1 3.44Å; W301-E327 VanDerWaalsContact NE1-CD 3.29Å; W301-E327 PolarHBondContact NE1-OE1 2.98Å; W301-E327 PolarHBondContact NE1-OE2 3.41Å; W301-P335 HydrophobicContact CZ2-CG 3.94Å |
| 302 | T | 97.1 | Very high | 86.1 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -97.2 | 134.4 | -175 | -52.5 | 0 | 0 | 0 | 0 | 110.3 | P298 V299 T306 L307 Y312 | P298-T302 PolarHBondContact O-N 2.79Å; P298-T302 VanDerWaalsContact O-N 3.11Å; P298-T302 PolarHBondContact O-OG1 3.04Å; V299-T302 PolarHBondContact O-N 3.33Å; T302-T306 HydrophobicContact CG2-CG2 3.56Å; T302-L307 HydrophobicContact CG2-CD2 3.71Å; T302-L307 HydrophobicContact CG2-CG 3.73Å; T302-Y312 HydrophobicContact CG2-CE1 4.3Å |
| 303 | P | 97.2 | Very high | 88 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | trans | -68.5 | 155.8 | 177.8 | 31.8 | -38 | 0 | 0 | 0 | 111.5 | D305 T306 L307 W319 | P303-D305 VanDerWaalsContact C-N 3.31Å; P303-D305 WeakPolarHBondContact CB-OD1 3.46Å; P303-D305 PolarHBondContact O-N 3.32Å; P303-T306 WeakPolarHBondContact CG-OG1 3.44Å; P303-T306 PolarHBondContact O-N 3.22Å; P303-L307 WeakPolarHBondContact O-CG 3.25Å; P303-L307 PolarHBondContact O-N 2.89Å; P303-W319 HydrophobicContact CB-CB 3.87Å; P303-W319 HydrophobicContact CB-CD2 3.42Å; P303-W319 VanDerWaalsContact CB-CD2 3.42Å; P303-W319 HydrophobicContact CB-CE3 3.55Å; P303-W319 HydrophobicContact CB-CG 3.56Å; P303-W319 HydrophobicContact CB-CZ3 4.25Å; P303-W319 HydrophobicContact CG-CB 4.12Å; P303-W319 HydrophobicContact CG-CG 4.22Å | ||
| 304 | P | 95.9 | Very high | 90 | Very high | 12 Ų | 12 | 43 Ų | 43 | 8% | 0.078 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.1 | -38.1 | -174.5 | 24.7 | -33.2 | 0 | 0 | 0 | 112.4 | L307 M308 W319 L355 | P304-L307 PolarHBondContact O-N 2.81Å; P304-M308 HydrophobicContact CB-CE 4.39Å; P304-M308 WeakPolarHBondContact O-CE 3.47Å; P304-M308 VanDerWaalsContact O-CG 3.29Å; P304-M308 WeakPolarHBondContact O-CG 3.16Å; P304-M308 PolarHBondContact O-N 3.28Å; P304-M308 VanDerWaalsContact O-N 3.13Å; P304-W319 HydrophobicContact CG-CH2 4.28Å; P304-L355 HydrophobicContact CG-CB 4.34Å |
| 305 | D | 95.1 | Very high | 92 | Very high | 40 Ų | 40 | 35 Ų | 35 | 21% | 0.214 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 176.5 | 58.8 | -73.2 | 0 | 0 | 0 | 112.3 | P303 M308 S309 R386 | P303-D305 VanDerWaalsContact C-N 3.31Å; P303-D305 WeakPolarHBondContact CB-OD1 3.46Å; P303-D305 PolarHBondContact O-N 3.32Å; D305-M308 PolarHBondContact O-N 3.19Å; D305-S309 VanDerWaalsContact O-CB 3.31Å; D305-S309 WeakPolarHBondContact O-CB 3.5Å; D305-S309 PolarHBondContact O-N 3.23Å; D305-S309 PolarHBondContact O-OG 3.11Å; D305-R386 IonicContact OD1-CZ 3.56Å; D305-R386 IonicContact OD1-NH1 3.53Å; D305-R386 IonicContact OD1-NH2 3.04Å; D305-R386 PolarHBondContact OD1-NH2 3.49Å |
| 306 | T | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.6 | -37 | 174.9 | -61.9 | 0 | 0 | 0 | 0 | 112.5 | T302 P303 M308 R310 N311 Y312 S316 | T302-T306 HydrophobicContact CG2-CG2 3.56Å; P303-T306 WeakPolarHBondContact CG-OG1 3.44Å; P303-T306 PolarHBondContact O-N 3.22Å; T306-M308 PolarHBondContact O-N 2.82Å; T306-R310 WeakPolarHBondContact O-CA 3.41Å; T306-R310 PolarHBondContact O-N 3.02Å; T306-N311 WeakPolarHBondContact CB-O 3.44Å; T306-N311 VanDerWaalsContact CG2-O 3.26Å; T306-N311 WeakPolarHBondContact CG2-O 3.25Å; T306-N311 PolarHBondContact OG1-O 3.18Å; T306-Y312 HydrophobicContact CG2-CD1 3.55Å; T306-Y312 HydrophobicContact CG2-CD2 3.95Å; T306-Y312 HydrophobicContact CG2-CE1 3.42Å; T306-Y312 VanDerWaalsContact CG2-CE1 3.42Å; T306-Y312 HydrophobicContact CG2-CE2 3.81Å; T306-Y312 HydrophobicContact CG2-CG 3.81Å; T306-S316 WeakPolarHBondContact OG1-CB 3.31Å |
| 307 | L | 93 | Very high | 94.9 | Very high | 10 Ų | 10 | 29 Ų | 29 | 5% | 0.052 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.1 | -38.3 | 175.7 | -74.9 | 174.7 | 0 | 0 | 0 | 112 | L297 T302 P303 P304 R310 I352 | L297-L307 HydrophobicContact CD1-CD2 3.95Å; T302-L307 HydrophobicContact CG2-CD2 3.71Å; T302-L307 HydrophobicContact CG2-CG 3.73Å; P303-L307 WeakPolarHBondContact O-CG 3.25Å; P303-L307 PolarHBondContact O-N 2.89Å; P304-L307 PolarHBondContact O-N 2.81Å; L307-R310 PolarHBondContact O-NE 3.12Å; L307-R310 VanDerWaalsContact O-NE 3.14Å; L307-I352 HydrophobicContact CB-CD1 4.07Å; L307-I352 HydrophobicContact CB-CG1 4.42Å; L307-I352 HydrophobicContact CD1-CD1 4.25Å; L307-I352 HydrophobicContact CD1-CG1 3.89Å |
| 308 | M | 91.4 | Very high | 95.6 | Very high | 92 Ų | 92 | 27.5 Ų | 27.5 | 45% | 0.453 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -81.7 | -51 | -179.2 | -65.4 | -179.1 | -69.7 | 0 | 0 | 112.8 | P304 D305 T306 I352 R356 | P304-M308 HydrophobicContact CB-CE 4.39Å; P304-M308 WeakPolarHBondContact O-CE 3.47Å; P304-M308 VanDerWaalsContact O-CG 3.29Å; P304-M308 WeakPolarHBondContact O-CG 3.16Å; P304-M308 PolarHBondContact O-N 3.28Å; P304-M308 VanDerWaalsContact O-N 3.13Å; D305-M308 PolarHBondContact O-N 3.19Å; T306-M308 PolarHBondContact O-N 2.82Å; M308-I352 HydrophobicContact CG-CD1 4.33Å; M308-I352 HydrophobicContact SD-CG2 4.39Å; M308-R356 PolarHBondContact SD-NH2 2.91Å |
| 309 | S | 91.4 | Very high | 95.9 | Very high | 53 Ų | 53 | 27.1 Ų | 27.1 | 37% | 0.371 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -81 | -22.9 | -175 | 65.4 | 0 | 0 | 0 | 0 | 113.6 | D305 N311 | D305-S309 VanDerWaalsContact O-CB 3.31Å; D305-S309 WeakPolarHBondContact O-CB 3.5Å; D305-S309 PolarHBondContact O-N 3.23Å; D305-S309 PolarHBondContact O-OG 3.11Å; S309-N311 PolarHBondContact O-N 3.23Å; S309-N311 WeakPolarHBondContact OG-CB 3.28Å; S309-N311 PolarHBondContact OG-N 3.29Å |
| 310 | R | 91 | Very high | 96.1 | Very high | 87 Ų | 87 | 26 Ų | 26 | 33% | 0.328 | 13% | 0.131 | S | C | . | . | trans | 58.3 | 21.9 | -168.2 | -53.6 | -60.8 | -178 | 117.1 | 0.6 | 113.8 | M289 T306 L307 | M289-R310 HydrophobicContact CB-CB 4.14Å; M289-R310 HydrophobicContact CE-CG 4.5Å; M289-R310 PolarHBondContact N-O 3Å; T306-R310 WeakPolarHBondContact O-CA 3.41Å; T306-R310 PolarHBondContact O-N 3.02Å; L307-R310 PolarHBondContact O-NE 3.12Å; L307-R310 VanDerWaalsContact O-NE 3.14Å | ||
| 311 | N | 93.8 | Very high | 96.2 | Very high | 57 Ų | 57 | 24.4 Ų | 24.4 | 31% | 0.305 | 12% | 0.123 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 118.9 | 171.7 | -64.8 | -19.7 | 0 | 0 | 0 | 109.6 | K288 T306 S309 | K288-N311 VanDerWaalsContact CG-OD1 3.31Å; K288-N311 WeakPolarHBondContact CG-OD1 3.48Å; T306-N311 WeakPolarHBondContact CB-O 3.44Å; T306-N311 VanDerWaalsContact CG2-O 3.26Å; T306-N311 WeakPolarHBondContact CG2-O 3.25Å; T306-N311 PolarHBondContact OG1-O 3.18Å; S309-N311 PolarHBondContact O-N 3.23Å; S309-N311 WeakPolarHBondContact OG-CB 3.28Å; S309-N311 PolarHBondContact OG-N 3.29Å |
| 312 | Y | 95.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 23 Ų | 23 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 142.1 | 175.4 | -67.6 | -96.5 | 0 | 0 | 0 | 109.8 | I257 R259 Y287 M289 L297 T302 T306 | I257-Y312 WeakPolarHBondContact CD1-O 3.08Å; R259-Y312 HydrophobicContact CB-CD1 3.94Å; R259-Y312 HydrophobicContact CB-CE1 4.21Å; R259-Y312 HydrophobicContact CG-CD1 3.6Å; R259-Y312 HydrophobicContact CG-CE1 4.33Å; R259-Y312 HydrophobicContact CG-CG 3.85Å; Y287-Y312 HydrophobicContact CD1-CD2 4.16Å; Y287-Y312 PolarHBondContact N-O 2.85Å; Y287-Y312 PolarHBondContact O-N 3.25Å; M289-Y312 HydrophobicContact CB-CE2 4.35Å; L297-Y312 VanDerWaalsContact CD2-OH 3.24Å; L297-Y312 WeakPolarHBondContact CD2-OH 3.45Å; T302-Y312 HydrophobicContact CG2-CE1 4.3Å; T306-Y312 HydrophobicContact CG2-CD1 3.55Å; T306-Y312 HydrophobicContact CG2-CD2 3.95Å; T306-Y312 HydrophobicContact CG2-CE1 3.42Å; T306-Y312 VanDerWaalsContact CG2-CE1 3.42Å; T306-Y312 HydrophobicContact CG2-CE2 3.81Å; T306-Y312 HydrophobicContact CG2-CG 3.81Å |
| 313 | T | 97.1 | Very high | 96.3 | Very high | 36 Ų | 36 | 23 Ų | 23 | 22% | 0.221 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 173.9 | 176.6 | 66.2 | 0 | 0 | 0 | 0 | 109.2 | I257 I286 K315 S316 D317 | I257-T313 WeakPolarHBondContact CG2-O 3.23Å; I286-T313 HydrophobicContact CB-CG2 4.48Å; I286-T313 HydrophobicContact CG1-CG2 4.06Å; I286-T313 HydrophobicContact CG2-CG2 4.37Å; T313-K315 PolarHBondContact O-N 2.86Å; T313-K315 PolarHBondContact OG1-N 2.76Å; T313-S316 PolarHBondContact N-OG 3.12Å; T313-S316 VanDerWaalsContact N-OG 3.1Å; T313-S316 WeakPolarHBondContact O-CB 3.39Å; T313-S316 PolarHBondContact O-N 2.85Å; T313-S316 PolarHBondContact O-OG 2.97Å; T313-D317 PolarHBondContact O-N 3.44Å |
| 314 | E | 97.3 | Very high | 96.4 | Very high | 57 Ų | 57 | 22.9 Ų | 22.9 | 27% | 0.266 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -49.4 | -40 | 168.2 | -174.6 | -165.2 | 153.2 | 0 | 0 | 111.5 | A252 S316 D317 V318 F389 | A252-E314 HydrophobicContact CB-CG 3.98Å; E314-S316 PolarHBondContact O-N 2.9Å; E314-D317 CarbonylContact O-C 3.52Å; E314-D317 WeakPolarHBondContact O-CA 3.19Å; E314-D317 WeakPolarHBondContact O-CB 3.17Å; E314-D317 PolarHBondContact O-N 3.08Å; E314-V318 PolarHBondContact O-N 3.5Å; E314-F389 HydrophobicContact CG-CD2 3.68Å; E314-F389 HydrophobicContact CG-CE2 3.78Å; E314-F389 WeakPolarHBondContact OE1-CD2 3.34Å; E314-F389 PolarHBondContact OE1-N 2.94Å |
| 315 | K | 98.4 | Very high | 96.5 | Very high | 26 Ų | 26 | 22.4 Ų | 22.4 | 11% | 0.113 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.6 | -20.4 | 179.7 | -57.4 | -54.5 | -166.7 | 88.1 | 0 | 113.7 | T313 V318 W319 P383 E384 R386 | T313-K315 PolarHBondContact O-N 2.86Å; T313-K315 PolarHBondContact OG1-N 2.76Å; K315-V318 HydrophobicContact CD-CG2 4.47Å; K315-W319 PolarHBondContact O-N 2.72Å; K315-P383 HydrophobicContact CB-CB 3.93Å; K315-P383 HydrophobicContact CG-CB 4.36Å; K315-P383 WeakPolarHBondContact CG-O 3.22Å; K315-P383 PolarHBondContact NZ-O 2.95Å; K315-E384 PolarHBondContact NZ-O 3.26Å; K315-R386 HydrophobicContact CD-CB 4.33Å; K315-R386 PolarHBondContact NZ-O 3.45Å; K315-R386 WeakPolarHBondContact O-CD 3.43Å; K315-R386 PolarHBondContact O-NH1 2.94Å |
| 316 | S | 98.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.014 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -76.3 | -32.6 | 169.9 | 70.9 | 0 | 0 | 0 | 0 | 112.3 | T306 T313 E314 W319 S320 | T306-S316 WeakPolarHBondContact OG1-CB 3.31Å; T313-S316 PolarHBondContact N-OG 3.12Å; T313-S316 VanDerWaalsContact N-OG 3.1Å; T313-S316 WeakPolarHBondContact O-CB 3.39Å; T313-S316 PolarHBondContact O-N 2.85Å; T313-S316 PolarHBondContact O-OG 2.97Å; E314-S316 PolarHBondContact O-N 2.9Å; S316-W319 PolarHBondContact O-N 3.15Å; S316-S320 PolarHBondContact O-N 2.69Å; S316-S320 PolarHBondContact O-OG 3.37Å |
| 317 | D | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -73.5 | -31.5 | 171.3 | -68.3 | -32.7 | 0 | 0 | 0 | 111.8 | M248 I257 H258 R259 T313 E314 W319 S320 F321 F389 | M248-D317 HydrophobicContact CE-CB 3.69Å; I257-D317 WeakPolarHBondContact CA-OD2 3.3Å; I257-D317 VanDerWaalsContact CG2-OD2 3.29Å; I257-D317 WeakPolarHBondContact CG2-OD2 3.25Å; H258-D317 PolarHBondContact N-OD2 2.95Å; R259-D317 WeakPolarHBondContact CA-OD1 3.43Å; R259-D317 PolarHBondContact N-OD1 2.69Å; T313-D317 PolarHBondContact O-N 3.44Å; E314-D317 CarbonylContact O-C 3.52Å; E314-D317 WeakPolarHBondContact O-CA 3.19Å; E314-D317 WeakPolarHBondContact O-CB 3.17Å; E314-D317 PolarHBondContact O-N 3.08Å; D317-W319 VanDerWaalsContact C-N 3.31Å; D317-W319 PolarHBondContact O-N 3.26Å; D317-S320 CarbonylContact O-C 3.59Å; D317-S320 WeakPolarHBondContact O-CA 3.32Å; D317-S320 WeakPolarHBondContact O-CB 3.46Å; D317-S320 PolarHBondContact O-N 2.74Å; D317-S320 VanDerWaalsContact O-N 3.15Å; D317-F321 WeakPolarHBondContact O-CB 3.37Å; D317-F321 PolarHBondContact O-N 2.9Å; D317-F389 HydrophobicContact CB-CE2 4.02Å; D317-F389 HydrophobicContact CB-CZ 3.95Å |
| 318 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.6 | -42.4 | 172.3 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | E314 K315 S320 F321 G322 C378 R386 P387 F389 I392 | E314-V318 PolarHBondContact O-N 3.5Å; K315-V318 HydrophobicContact CD-CG2 4.47Å; V318-S320 VanDerWaalsContact C-N 3.33Å; V318-S320 PolarHBondContact O-N 3.02Å; V318-F321 WeakPolarHBondContact O-CB 3.48Å; V318-F321 PolarHBondContact O-N 2.79Å; V318-G322 PolarHBondContact O-N 2.8Å; V318-C378 HydrophobicContact CG1-CB 4.06Å; V318-C378 WeakPolarHBondContact O-CB 3.35Å; V318-R386 HydrophobicContact CG1-CB 3.94Å; V318-P387 HydrophobicContact CG1-CG 4.48Å; V318-P387 WeakPolarHBondContact CG2-O 3.3Å; V318-F389 HydrophobicContact CB-CZ 4.41Å; V318-F389 HydrophobicContact CG2-CD2 4.08Å; V318-F389 HydrophobicContact CG2-CE1 4.2Å; V318-F389 HydrophobicContact CG2-CE2 3.71Å; V318-F389 HydrophobicContact CG2-CG 4.48Å; V318-F389 HydrophobicContact CG2-CZ 3.78Å; V318-I392 HydrophobicContact CG1-CD1 3.83Å; V318-I392 HydrophobicContact CG2-CD1 4.25Å |
| 319 | W | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.5 | -46.2 | 173.2 | -180 | -72.2 | 0 | 0 | 0 | 111.4 | W301 P303 P304 K315 S316 D317 F321 G322 V323 L355 C378 W379 | W301-W319 VanDerWaalsContact O-CD1 3.25Å; P303-W319 HydrophobicContact CB-CB 3.87Å; P303-W319 HydrophobicContact CB-CD2 3.42Å; P303-W319 VanDerWaalsContact CB-CD2 3.42Å; P303-W319 HydrophobicContact CB-CE3 3.55Å; P303-W319 HydrophobicContact CB-CG 3.56Å; P303-W319 HydrophobicContact CB-CZ3 4.25Å; P303-W319 HydrophobicContact CG-CB 4.12Å; P303-W319 HydrophobicContact CG-CG 4.22Å; P304-W319 HydrophobicContact CG-CH2 4.28Å; K315-W319 PolarHBondContact O-N 2.72Å; S316-W319 PolarHBondContact O-N 3.15Å; D317-W319 VanDerWaalsContact C-N 3.31Å; D317-W319 PolarHBondContact O-N 3.26Å; W319-F321 PolarHBondContact O-N 3.34Å; W319-G322 PolarHBondContact O-N 2.87Å; W319-G322 VanDerWaalsContact O-N 3.11Å; W319-V323 PolarHBondContact O-N 3.34Å; W319-L355 HydrophobicContact CH2-CD1 4.24Å; W319-L355 HydrophobicContact CH2-CD2 4.07Å; W319-L355 HydrophobicContact CZ2-CD1 3.73Å; W319-L355 HydrophobicContact CZ2-CD2 3.8Å; W319-L355 HydrophobicContact CZ2-CG 4.32Å; W319-C378 WeakPolarHBondContact CA-O 3.45Å; W319-W379 AromaticContact CD2-CD1 3.61Å; W319-W379 HydrophobicContact CD2-CG 4.4Å; W319-W379 AromaticContact CE2-CD1 3.76Å; W319-W379 HydrophobicContact CE3-CB 4.09Å; W319-W379 HydrophobicContact CE3-CG 4.45Å; W319-W379 AromaticContact CG-CD1 3.87Å; W319-W379 HydrophobicContact CH2-CB 4.14Å; W319-W379 HydrophobicContact CZ3-CB 3.91Å; W319-W379 WeakPolarHBondContact CZ3-O 3.4Å; W319-W379 PolarHBondContact O-NE1 3.04Å |
| 320 | S | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 16.1 Ų | 16.1 | 3% | 0.028 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.5 | -38.3 | 178 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | L261 W301 S316 D317 V318 V323 L324 | L261-S320 WeakPolarHBondContact O-CB 3.37Å; W301-S320 WeakPolarHBondContact O-CA 3.45Å; W301-S320 PolarHBondContact O-OG 3.32Å; S316-S320 PolarHBondContact O-N 2.69Å; S316-S320 PolarHBondContact O-OG 3.37Å; D317-S320 CarbonylContact O-C 3.59Å; D317-S320 WeakPolarHBondContact O-CA 3.32Å; D317-S320 WeakPolarHBondContact O-CB 3.46Å; D317-S320 PolarHBondContact O-N 2.74Å; D317-S320 VanDerWaalsContact O-N 3.15Å; V318-S320 VanDerWaalsContact C-N 3.33Å; V318-S320 PolarHBondContact O-N 3.02Å; S320-V323 WeakPolarHBondContact O-CB 3.48Å; S320-V323 PolarHBondContact O-N 2.9Å; S320-L324 PolarHBondContact O-N 2.75Å |
| 321 | F | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 0% | 0.004 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.3 | -40.1 | 175 | -175.5 | -91.4 | 0 | 0 | 0 | 112.2 | A244 M248 L261 D317 V318 W319 V323 L324 M325 F389 I392 L396 | A244-F321 HydrophobicContact CB-CE2 3.73Å; M248-F321 HydrophobicContact CG-CD2 4.47Å; L261-F321 HydrophobicContact CD2-CB 3.83Å; L261-F321 HydrophobicContact CD2-CD2 4.07Å; L261-F321 HydrophobicContact CD2-CG 4.48Å; D317-F321 WeakPolarHBondContact O-CB 3.37Å; D317-F321 PolarHBondContact O-N 2.9Å; V318-F321 WeakPolarHBondContact O-CB 3.48Å; V318-F321 PolarHBondContact O-N 2.79Å; W319-F321 PolarHBondContact O-N 3.34Å; F321-V323 VanDerWaalsContact C-N 3.27Å; F321-V323 PolarHBondContact O-N 2.85Å; F321-L324 HydrophobicContact CD2-CD2 4.3Å; F321-L324 WeakPolarHBondContact O-CB 3.49Å; F321-L324 PolarHBondContact O-N 3.25Å; F321-L324 VanDerWaalsContact O-N 3.14Å; F321-M325 HydrophobicContact CD1-CG 3.94Å; F321-M325 HydrophobicContact CD1-SD 3.73Å; F321-M325 HydrophobicContact CE1-CG 3.57Å; F321-M325 HydrophobicContact CE1-SD 3.45Å; F321-M325 WeakPolarHBondContact CE1-SD 3.33Å; F321-M325 HydrophobicContact CZ-CG 4.17Å; F321-M325 WeakPolarHBondContact O-CG 3.35Å; F321-M325 PolarHBondContact O-N 3.27Å; F321-F389 HydrophobicContact CB-CE1 3.77Å; F321-F389 HydrophobicContact CB-CZ 4.24Å; F321-F389 HydrophobicContact CD2-CE1 4.02Å; F321-F389 AromaticContact CG-CE1 3.86Å; F321-F389 HydrophobicContact CG-CE1 3.86Å; F321-I392 HydrophobicContact CD1-CD1 4.36Å; F321-I392 HydrophobicContact CD1-CG2 3.9Å; F321-I392 HydrophobicContact CE1-CG2 3.34Å; F321-I392 HydrophobicContact CZ-CG2 3.97Å; F321-L396 HydrophobicContact CE1-CD1 3.99Å; F321-L396 HydrophobicContact CZ-CD1 3.71Å |
| 322 | G | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -57.8 | -41.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V318 W319 M325 W326 W379 | V318-G322 PolarHBondContact O-N 2.8Å; W319-G322 PolarHBondContact O-N 2.87Å; W319-G322 VanDerWaalsContact O-N 3.11Å; G322-M325 WeakPolarHBondContact O-CB 3.34Å; G322-M325 PolarHBondContact O-N 3.15Å; G322-W326 PolarHBondContact O-N 3.16Å; G322-W326 VanDerWaalsContact O-N 3.15Å; G322-W379 WeakPolarHBondContact O-CZ2 3.33Å |
| 323 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67 | -39.9 | 174.6 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | W301 W319 S320 F321 M325 W326 E327 P335 L361 W379 | W301-V323 VanDerWaalsContact CD1-CG1 3.4Å; W301-V323 HydrophobicContact CG-CB 4.43Å; W301-V323 HydrophobicContact CG-CG1 4.09Å; W319-V323 PolarHBondContact O-N 3.34Å; S320-V323 WeakPolarHBondContact O-CB 3.48Å; S320-V323 PolarHBondContact O-N 2.9Å; F321-V323 VanDerWaalsContact C-N 3.27Å; F321-V323 PolarHBondContact O-N 2.85Å; V323-M325 VanDerWaalsContact C-N 3.34Å; V323-M325 PolarHBondContact O-N 2.75Å; V323-W326 WeakPolarHBondContact O-CB 3.12Å; V323-W326 PolarHBondContact O-N 2.84Å; V323-W326 VanDerWaalsContact O-N 3.15Å; V323-E327 HydrophobicContact CG1-CG 4.5Å; V323-E327 WeakPolarHBondContact O-CG 3.47Å; V323-E327 PolarHBondContact O-N 3.01Å; V323-P335 HydrophobicContact CG1-CB 3.87Å; V323-P335 HydrophobicContact CG1-CG 3.5Å; V323-L361 HydrophobicContact CG1-CD1 4.17Å; V323-L361 HydrophobicContact CG2-CD1 4.34Å; V323-W379 HydrophobicContact CG2-CZ2 4.24Å |
| 324 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.7 | -40.4 | 173.6 | 173.4 | 62.7 | 0 | 0 | 0 | 112.3 | L221 A244 L261 A263 S320 F321 W326 E327 I328 | L221-L324 HydrophobicContact CD2-CD1 3.98Å; A244-L324 HydrophobicContact CB-CD2 3.9Å; L261-L324 HydrophobicContact CD1-CD2 4.1Å; L261-L324 HydrophobicContact CD2-CD2 4.46Å; L261-L324 HydrophobicContact CG-CD2 4.2Å; A263-L324 HydrophobicContact CB-CD1 3.85Å; S320-L324 PolarHBondContact O-N 2.75Å; F321-L324 HydrophobicContact CD2-CD2 4.3Å; F321-L324 WeakPolarHBondContact O-CB 3.49Å; F321-L324 PolarHBondContact O-N 3.25Å; F321-L324 VanDerWaalsContact O-N 3.14Å; L324-W326 VanDerWaalsContact C-N 3.29Å; L324-W326 PolarHBondContact O-N 2.8Å; L324-E327 PolarHBondContact O-N 2.77Å; L324-I328 HydrophobicContact CD1-CD1 4.05Å; L324-I328 HydrophobicContact CD1-CG1 4.21Å; L324-I328 HydrophobicContact CG-CD1 4.02Å; L324-I328 VanDerWaalsContact O-CG1 3.3Å; L324-I328 WeakPolarHBondContact O-CG1 3.29Å; L324-I328 PolarHBondContact O-N 2.83Å |
| 325 | M | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59 | -44.6 | 173.9 | -67.1 | 169.3 | 67.8 | 0 | 0 | 110.7 | M241 F321 G322 V323 I328 L329 L371 L374 M375 L396 | M241-M325 HydrophobicContact CE-CB 4.26Å; M241-M325 WeakPolarHBondContact CE-O 3.16Å; M241-M325 HydrophobicContact CG-CG 4.3Å; M241-M325 HydrophobicContact SD-CB 4.3Å; M241-M325 HydrophobicContact SD-CE 4.29Å; M241-M325 HydrophobicContact SD-CG 4.14Å; F321-M325 HydrophobicContact CD1-CG 3.94Å; F321-M325 HydrophobicContact CD1-SD 3.73Å; F321-M325 HydrophobicContact CE1-CG 3.57Å; F321-M325 HydrophobicContact CE1-SD 3.45Å; F321-M325 WeakPolarHBondContact CE1-SD 3.33Å; F321-M325 HydrophobicContact CZ-CG 4.17Å; F321-M325 WeakPolarHBondContact O-CG 3.35Å; F321-M325 PolarHBondContact O-N 3.27Å; G322-M325 WeakPolarHBondContact O-CB 3.34Å; G322-M325 PolarHBondContact O-N 3.15Å; V323-M325 VanDerWaalsContact C-N 3.34Å; V323-M325 PolarHBondContact O-N 2.75Å; M325-I328 PolarHBondContact O-N 2.79Å; M325-L329 WeakPolarHBondContact O-CG 3.49Å; M325-L329 PolarHBondContact O-N 2.86Å; M325-L371 HydrophobicContact CE-CD1 3.45Å; M325-L371 VanDerWaalsContact CE-CD1 3.45Å; M325-L371 HydrophobicContact CE-CG 4.29Å; M325-L374 HydrophobicContact CE-CB 4.37Å; M325-L374 HydrophobicContact CE-CD2 4.03Å; M325-L374 HydrophobicContact CE-CG 4.05Å; M325-M375 HydrophobicContact CB-CG 4.33Å; M325-M375 HydrophobicContact CB-SD 4.1Å; M325-M375 HydrophobicContact CE-CB 3.89Å; M325-M375 HydrophobicContact CE-CG 4.48Å; M325-M375 HydrophobicContact SD-CB 4.34Å; M325-L396 HydrophobicContact CE-CD2 4.39Å |
| 326 | W | 98.7 | Very high | 98 | Very high | 20 Ų | 20 | 14.8 Ų | 14.8 | 8% | 0.076 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.8 | -47.4 | 176.2 | -173.2 | 90.9 | 0 | 0 | 0 | 111.7 | G322 V323 L324 I328 L329 T330 E333 P335 L361 T362 M375 W379 | G322-W326 PolarHBondContact O-N 3.16Å; G322-W326 VanDerWaalsContact O-N 3.15Å; V323-W326 WeakPolarHBondContact O-CB 3.12Å; V323-W326 PolarHBondContact O-N 2.84Å; V323-W326 VanDerWaalsContact O-N 3.15Å; L324-W326 VanDerWaalsContact C-N 3.29Å; L324-W326 PolarHBondContact O-N 2.8Å; W326-I328 VanDerWaalsContact C-N 3.26Å; W326-I328 PolarHBondContact O-N 2.79Å; W326-L329 PolarHBondContact O-N 2.77Å; W326-L329 VanDerWaalsContact O-N 3.16Å; W326-T330 HydrophobicContact CD2-CG2 3.95Å; W326-T330 HydrophobicContact CE3-CG2 4.2Å; W326-T330 HydrophobicContact CH2-CG2 3.85Å; W326-T330 HydrophobicContact CZ2-CG2 3.6Å; W326-T330 HydrophobicContact CZ3-CG2 4.14Å; W326-T330 WeakPolarHBondContact CZ3-OG1 3.41Å; W326-T330 PolarHBondContact O-N 2.79Å; W326-T330 PolarHBondContact O-OG1 2.66Å; W326-E333 HydrophobicContact CH2-CB 3.69Å; W326-E333 HydrophobicContact CZ3-CB 3.83Å; W326-P335 HydrophobicContact CE3-CB 4.48Å; W326-P335 HydrophobicContact CE3-CG 4.25Å; W326-P335 HydrophobicContact CZ3-CB 4.4Å; W326-P335 HydrophobicContact CZ3-CG 4.25Å; W326-L361 HydrophobicContact CB-CD1 4.07Å; W326-L361 HydrophobicContact CD2-CB 4.38Å; W326-L361 HydrophobicContact CD2-CD1 3.91Å; W326-L361 HydrophobicContact CD2-CD2 4.32Å; W326-L361 HydrophobicContact CD2-CG 4.42Å; W326-L361 HydrophobicContact CE3-CD1 4.27Å; W326-L361 HydrophobicContact CG-CB 4.06Å; W326-L361 HydrophobicContact CG-CD1 3.81Å; W326-L361 HydrophobicContact CG-CG 4.41Å; W326-L361 HydrophobicContact CZ2-CD2 4.26Å; W326-T362 PolarHBondContact NE1-O 2.82Å; W326-M375 HydrophobicContact CB-SD 3.83Å; W326-W379 HydrophobicContact CB-CH2 4.22Å; W326-W379 HydrophobicContact CB-CZ2 4.37Å |
| 327 | E | 98.6 | Very high | 97.8 | Very high | 7 Ų | 7 | 16.7 Ų | 16.7 | 3% | 0.033 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -57.8 | -38.4 | 176.1 | -70.7 | 178.6 | 110.8 | 0 | 0 | 112 | A263 W301 V323 L324 T330 N331 G332 P335 | A263-E327 HydrophobicContact CB-CB 3.85Å; A263-E327 HydrophobicContact CB-CG 4.31Å; A263-E327 PolarHBondContact N-OE2 2.96Å; W301-E327 WeakPolarHBondContact CZ2-OE1 3.44Å; W301-E327 VanDerWaalsContact NE1-CD 3.29Å; W301-E327 PolarHBondContact NE1-OE1 2.98Å; W301-E327 PolarHBondContact NE1-OE2 3.41Å; V323-E327 HydrophobicContact CG1-CG 4.5Å; V323-E327 WeakPolarHBondContact O-CG 3.47Å; V323-E327 PolarHBondContact O-N 3.01Å; L324-E327 PolarHBondContact O-N 2.77Å; E327-T330 PolarHBondContact O-OG1 3.29Å; E327-N331 PolarHBondContact O-N 2.88Å; E327-G332 WeakPolarHBondContact O-CA 3.25Å; E327-G332 PolarHBondContact O-N 3.07Å; E327-P335 HydrophobicContact CG-CG 3.84Å |
| 328 | I | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.4 | -48 | 176.5 | -71.5 | 166.8 | 0 | 0 | 0 | 110.3 | L221 L225 H237 L240 M241 L324 M325 W326 T330 N331 | L221-I328 HydrophobicContact CD2-CD1 4.43Å; L221-I328 HydrophobicContact CD2-CG1 4.11Å; L225-I328 HydrophobicContact CD1-CG1 4.47Å; L225-I328 HydrophobicContact CD2-CG2 4.43Å; H237-I328 HydrophobicContact CB-CG2 3.82Å; H237-I328 PolarHBondContact CD2-O 3.47Å; H237-I328 PolarHBondContact NE2-O 2.93Å; L240-I328 HydrophobicContact CB-CD1 4.23Å; L240-I328 HydrophobicContact CB-CG2 4.48Å; M241-I328 HydrophobicContact CE-CB 4Å; M241-I328 HydrophobicContact CE-CG2 3.71Å; M241-I328 HydrophobicContact CG-CD1 3.82Å; M241-I328 HydrophobicContact CG-CG2 4.3Å; L324-I328 HydrophobicContact CD1-CD1 4.05Å; L324-I328 HydrophobicContact CD1-CG1 4.21Å; L324-I328 HydrophobicContact CG-CD1 4.02Å; L324-I328 VanDerWaalsContact O-CG1 3.3Å; L324-I328 WeakPolarHBondContact O-CG1 3.29Å; L324-I328 PolarHBondContact O-N 2.83Å; M325-I328 PolarHBondContact O-N 2.79Å; W326-I328 VanDerWaalsContact C-N 3.26Å; W326-I328 PolarHBondContact O-N 2.79Å; I328-T330 VanDerWaalsContact C-N 3.3Å; I328-T330 PolarHBondContact O-N 3.02Å; I328-N331 PolarHBondContact O-N 3.49Å |
| 329 | L | 97.8 | Very high | 97.2 | Very high | 18 Ų | 18 | 25.8 Ų | 25.8 | 9% | 0.094 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.2 | -28.7 | -177.7 | -68 | 168.4 | 0 | 0 | 0 | 113.6 | L234 H237 M241 M325 W326 N331 P364 T367 L371 M375 | L234-L329 HydrophobicContact CD1-CD2 3.91Å; H237-L329 HydrophobicContact CB-CD2 4.31Å; M241-L329 HydrophobicContact CE-CD1 4.04Å; M241-L329 HydrophobicContact CE-CD2 3.67Å; M241-L329 HydrophobicContact CE-CG 3.48Å; M241-L329 VanDerWaalsContact CE-CG 3.48Å; M325-L329 WeakPolarHBondContact O-CG 3.49Å; M325-L329 PolarHBondContact O-N 2.86Å; W326-L329 PolarHBondContact O-N 2.77Å; W326-L329 VanDerWaalsContact O-N 3.16Å; L329-N331 VanDerWaalsContact C-N 3.31Å; L329-P364 HydrophobicContact CB-CG 3.81Å; L329-T367 HydrophobicContact CD1-CG2 3.9Å; L329-L371 HydrophobicContact CD1-CD2 4.04Å; L329-L371 HydrophobicContact CD2-CD2 3.93Å; L329-M375 HydrophobicContact CD1-SD 4.47Å |
| 330 | T | 96.9 | Very high | 96.8 | Very high | 18 Ų | 18 | 27.7 Ų | 27.7 | 11% | 0.11 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 9.8 | 176.5 | 57 | 0 | 0 | 0 | 0 | 113.4 | W326 E327 I328 G332 E333 P364 | W326-T330 HydrophobicContact CD2-CG2 3.95Å; W326-T330 HydrophobicContact CE3-CG2 4.2Å; W326-T330 HydrophobicContact CH2-CG2 3.85Å; W326-T330 HydrophobicContact CZ2-CG2 3.6Å; W326-T330 HydrophobicContact CZ3-CG2 4.14Å; W326-T330 WeakPolarHBondContact CZ3-OG1 3.41Å; W326-T330 PolarHBondContact O-N 2.79Å; W326-T330 PolarHBondContact O-OG1 2.66Å; E327-T330 PolarHBondContact O-OG1 3.29Å; I328-T330 VanDerWaalsContact C-N 3.3Å; I328-T330 PolarHBondContact O-N 3.02Å; T330-G332 PolarHBondContact O-N 3.3Å; T330-E333 PolarHBondContact OG1-N 3.47Å; T330-P364 HydrophobicContact CG2-CG 3.51Å |
| 331 | N | 97 | Very high | 96.3 | Very high | 33 Ų | 33 | 34.4 Ų | 34.4 | 18% | 0.176 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 31.5 | -176.7 | -56.3 | -58.7 | 0 | 0 | 0 | 114.1 | L225 Q229 H237 E327 I328 L329 | L225-N331 HydrophobicContact CB-CB 4.33Å; Q229-N331 HydrophobicContact CB-CB 3.87Å; H237-N331 PolarHBondContact NE2-OD1 3.02Å; E327-N331 PolarHBondContact O-N 2.88Å; I328-N331 PolarHBondContact O-N 3.49Å; L329-N331 VanDerWaalsContact C-N 3.31Å |
| 332 | G | 96.9 | Very high | 95.7 | Very high | 15 Ų | 15 | 40.4 Ų | 40.4 | 16% | 0.155 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 92.2 | 30.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | E327 T330 | E327-G332 WeakPolarHBondContact O-CA 3.25Å; E327-G332 PolarHBondContact O-N 3.07Å; T330-G332 PolarHBondContact O-N 3.3Å |
| 333 | E | 96.8 | Very high | 94.8 | Very high | 114 Ų | 114 | 42.1 Ų | 42.1 | 53% | 0.533 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -61.9 | 157.5 | 167.6 | -73.3 | -179.5 | -177.2 | 0 | 0 | 111.8 | W326 T330 P335 | W326-E333 HydrophobicContact CH2-CB 3.69Å; W326-E333 HydrophobicContact CZ3-CB 3.83Å; T330-E333 PolarHBondContact OG1-N 3.47Å; E333-P335 WeakPolarHBondContact O-CD 3.29Å |
| 334 | S | 95.9 | Very high | 93.9 | Very high | 62 Ų | 62 | 48.2 Ų | 48.2 | 43% | 0.434 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 123.6 | 175.5 | -163.2 | 0 | 0 | 0 | 0 | 110.1 | K300 Y336 A337 | K300-S334 PolarHBondContact NZ-OG 2.78Å; S334-Y336 PolarHBondContact O-N 2.8Å; S334-A337 WeakPolarHBondContact O-CB 3.45Å; S334-A337 PolarHBondContact O-N 2.91Å |
| 335 | P | 97.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 139.4 | 177.3 | -25 | 34.4 | 0 | 0 | 0 | 111.5 | K300 W301 V323 W326 E327 E333 A337 L361 | K300-P335 HydrophobicContact CB-CB 4.27Å; K300-P335 VanDerWaalsContact CD-O 3.22Å; K300-P335 WeakPolarHBondContact CD-O 3.33Å; K300-P335 VanDerWaalsContact CE-O 3.28Å; K300-P335 WeakPolarHBondContact CE-O 3.49Å; K300-P335 PolarHBondContact NZ-O 2.85Å; W301-P335 HydrophobicContact CZ2-CG 3.94Å; V323-P335 HydrophobicContact CG1-CB 3.87Å; V323-P335 HydrophobicContact CG1-CG 3.5Å; W326-P335 HydrophobicContact CE3-CB 4.48Å; W326-P335 HydrophobicContact CE3-CG 4.25Å; W326-P335 HydrophobicContact CZ3-CB 4.4Å; W326-P335 HydrophobicContact CZ3-CG 4.25Å; E327-P335 HydrophobicContact CG-CG 3.84Å; E333-P335 WeakPolarHBondContact O-CD 3.29Å; P335-A337 PolarHBondContact O-N 3.41Å; P335-L361 HydrophobicContact CB-CD1 4.08Å; P335-L361 HydrophobicContact CB-CD2 4.27Å |
| 336 | Y | 96.6 | Very high | 92.4 | Very high | 13 Ų | 13 | 58.1 Ų | 58.1 | 5% | 0.051 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 34.5 | 177.8 | -48 | -80.2 | 0 | 0 | 0 | 113.4 | K300 S334 E338 L339 A340 L351 F354 L355 L361 | K300-Y336 HydrophobicContact CB-CD2 4.17Å; K300-Y336 HydrophobicContact CG-CD2 4.41Å; K300-Y336 WeakPolarHBondContact O-CE2 3.48Å; S334-Y336 PolarHBondContact O-N 2.8Å; Y336-E338 PolarHBondContact O-N 3.12Å; Y336-L339 PolarHBondContact O-N 3.05Å; Y336-A340 WeakPolarHBondContact O-CB 3.49Å; Y336-A340 PolarHBondContact O-N 3.22Å; Y336-L351 HydrophobicContact CD1-CD1 3.76Å; Y336-L351 HydrophobicContact CD2-CD1 3.87Å; Y336-L351 HydrophobicContact CE1-CD1 3.86Å; Y336-L351 HydrophobicContact CE2-CD1 4Å; Y336-L351 HydrophobicContact CG-CD1 3.76Å; Y336-F354 HydrophobicContact CD1-CE1 4.39Å; Y336-F354 HydrophobicContact CE1-CD1 4.43Å; Y336-F354 HydrophobicContact CE1-CE1 4.15Å; Y336-L355 HydrophobicContact CE1-CD2 4.27Å; Y336-L361 HydrophobicContact CD1-CD2 3.6Å; Y336-L361 HydrophobicContact CD1-CG 4.1Å; Y336-L361 HydrophobicContact CD2-CD2 4.04Å; Y336-L361 HydrophobicContact CD2-CG 4.45Å; Y336-L361 HydrophobicContact CE1-CD1 4.47Å; Y336-L361 HydrophobicContact CE1-CD2 3.64Å; Y336-L361 HydrophobicContact CE1-CG 3.58Å; Y336-L361 HydrophobicContact CE2-CD1 3.98Å; Y336-L361 HydrophobicContact CE2-CD2 4.05Å; Y336-L361 HydrophobicContact CE2-CG 3.95Å; Y336-L361 HydrophobicContact CG-CD2 3.82Å; Y336-L361 VanDerWaalsContact CZ-CG 3.48Å |
| 337 | A | 93.8 | Very high | 92.1 | Very high | 42 Ų | 42 | 59.2 Ų | 59.2 | 35% | 0.347 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.1 | -46.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.3 | S334 P335 L339 A340 L341 | S334-A337 WeakPolarHBondContact O-CB 3.45Å; S334-A337 PolarHBondContact O-N 2.91Å; P335-A337 PolarHBondContact O-N 3.41Å; A337-L339 PolarHBondContact O-N 2.98Å; A337-A340 PolarHBondContact O-N 3.49Å; A337-L341 WeakPolarHBondContact O-CG 3.31Å; A337-L341 PolarHBondContact O-N 2.83Å |
| 338 | E | 91.7 | Very high | 91.8 | Very high | 157 Ų | 157 | 61.6 Ų | 61.6 | 73% | 0.734 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61 | -44.2 | 179 | -63.7 | 179.5 | 173.3 | 0 | 0 | 112.5 | Y336 A340 L341 N342 | Y336-E338 PolarHBondContact O-N 3.12Å; E338-A340 VanDerWaalsContact C-N 3.31Å; E338-A340 PolarHBondContact O-N 3.21Å; E338-L341 PolarHBondContact O-N 2.72Å; E338-N342 PolarHBondContact O-N 2.93Å; E338-N342 VanDerWaalsContact O-N 3.09Å; E338-N342 PolarHBondContact O-ND2 3.44Å |
| 339 | L | 92.8 | Very high | 91.5 | Very high | 35 Ų | 35 | 66.4 Ų | 66.4 | 18% | 0.183 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 176.4 | -175.8 | 65.4 | 0 | 0 | 0 | 111.1 | Y336 A337 N342 S343 F347 L351 F354 | Y336-L339 PolarHBondContact O-N 3.05Å; A337-L339 PolarHBondContact O-N 2.98Å; L339-N342 PolarHBondContact O-N 3.05Å; L339-S343 PolarHBondContact O-N 3.42Å; L339-F347 HydrophobicContact CB-CE2 4.46Å; L339-F347 HydrophobicContact CD2-CE2 4.31Å; L339-F347 HydrophobicContact CG-CE2 4.24Å; L339-L351 HydrophobicContact CD2-CB 4.33Å; L339-L351 HydrophobicContact CD2-CD1 3.97Å; L339-F354 HydrophobicContact CD1-CD2 4.41Å; L339-F354 HydrophobicContact CD2-CB 3.94Å; L339-F354 HydrophobicContact CD2-CD2 4.31Å; L339-F354 HydrophobicContact CD2-CG 4.05Å |
| 340 | A | 90.2 | Very high | 91.3 | Very high | 39 Ų | 39 | 67 Ų | 67 | 32% | 0.322 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.3 | -37.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y336 A337 E338 S343 F347 | Y336-A340 WeakPolarHBondContact O-CB 3.49Å; Y336-A340 PolarHBondContact O-N 3.22Å; A337-A340 PolarHBondContact O-N 3.49Å; E338-A340 VanDerWaalsContact C-N 3.31Å; E338-A340 PolarHBondContact O-N 3.21Å; A340-S343 WeakPolarHBondContact O-CB 3.26Å; A340-F347 HydrophobicContact CB-CD2 3.94Å; A340-F347 HydrophobicContact CB-CE2 3.67Å; A340-F347 HydrophobicContact CB-CZ 4.34Å |
| 341 | L | 88.6 | Confident | 91.2 | Very high | 146 Ų | 146 | 66.1 Ų | 66.1 | 76% | 0.764 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -69.6 | -35.1 | 177.8 | -72.2 | 169 | 0 | 0 | 0 | 112.4 | A337 E338 S343 | A337-L341 WeakPolarHBondContact O-CG 3.31Å; A337-L341 PolarHBondContact O-N 2.83Å; E338-L341 PolarHBondContact O-N 2.72Å; L341-S343 VanDerWaalsContact C-N 3.33Å |
| 342 | N | 86.1 | Confident | 91.1 | Very high | 127 Ų | 127 | 65.8 Ų | 65.8 | 68% | 0.679 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 6.3 | -179.6 | -64.1 | -34 | 0 | 0 | 0 | 113.5 | E338 L339 T344 | E338-N342 PolarHBondContact O-N 2.93Å; E338-N342 VanDerWaalsContact O-N 3.09Å; E338-N342 PolarHBondContact O-ND2 3.44Å; L339-N342 PolarHBondContact O-N 3.05Å; N342-T344 PolarHBondContact O-N 2.76Å |
| 343 | S | 80.2 | Confident | 91 | Very high | 35 Ų | 35 | 68.3 Ų | 68.3 | 25% | 0.245 | 38% | 0.38 | C | S | . | . | trans | -70.4 | 121.2 | -174.3 | -169.6 | 0 | 0 | 0 | 0 | 111.1 | L339 A340 L341 K345 E350 | L339-S343 PolarHBondContact O-N 3.42Å; A340-S343 WeakPolarHBondContact O-CB 3.26Å; L341-S343 VanDerWaalsContact C-N 3.33Å; S343-K345 PolarHBondContact OG-O 2.74Å; S343-E350 VanDerWaalsContact CA-OE2 3.25Å; S343-E350 WeakPolarHBondContact CA-OE2 3.33Å; S343-E350 VanDerWaalsContact OG-CD 3.29Å; S343-E350 PolarHBondContact OG-OE1 3.44Å; S343-E350 PolarHBondContact OG-OE2 2.94Å | ||
| 344 | T | 78.5 | Confident | 90.9 | Very high | 128 Ų | 128 | 65.3 Ų | 65.3 | 79% | 0.785 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -103.1 | -17.7 | 176.3 | 56.3 | 0 | 0 | 0 | 0 | 112 | N342 E350 | N342-T344 PolarHBondContact O-N 2.76Å; T344-E350 PolarHBondContact N-OE1 3.37Å |
| 345 | K | 78.5 | Confident | 91 | Very high | 148 Ų | 148 | 62.6 Ų | 62.6 | 64% | 0.643 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -111.8 | -175.4 | 175.3 | -60.4 | 176.9 | -178.2 | 176.1 | 0 | 110.1 | S343 F347 E350 | S343-K345 PolarHBondContact OG-O 2.74Å; K345-F347 PolarHBondContact O-N 3.04Å; K345-F347 VanDerWaalsContact O-N 3.14Å; K345-E350 HydrophobicContact CB-CG 4.04Å; K345-E350 WeakPolarHBondContact CB-OE1 3.35Å; K345-E350 PolarHBondContact N-OE1 3.15Å |
| 346 | A | 89 | Confident | 90.8 | Very high | 61 Ų | 61 | 70.8 Ų | 70.8 | 50% | 0.504 | 38% | 0.377 | S | S | . | . | trans | -59.7 | 117.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110.1 | V348 I349 E350 | A346-V348 PolarHBondContact O-N 3.28Å; A346-I349 HydrophobicContact CB-CD1 4.18Å; A346-I349 HydrophobicContact CB-CG1 4.37Å; A346-I349 WeakPolarHBondContact O-CB 3.49Å; A346-I349 PolarHBondContact O-N 3.28Å; A346-E350 PolarHBondContact O-N 2.83Å | ||
| 347 | F | 92.1 | Very high | 90.7 | Very high | 44 Ų | 44 | 75.7 Ų | 75.7 | 19% | 0.193 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -47.6 | -37 | -174.8 | 173.5 | -106.7 | 0 | 0 | 0 | 114.4 | V299 K300 L339 A340 K345 I349 E350 L351 | V299-F347 HydrophobicContact CG1-CD1 4.1Å; V299-F347 HydrophobicContact CG1-CE1 3.97Å; K300-F347 HydrophobicContact CD-CE1 4.48Å; K300-F347 HydrophobicContact CG-CE1 3.71Å; K300-F347 HydrophobicContact CG-CZ 3.93Å; L339-F347 HydrophobicContact CB-CE2 4.46Å; L339-F347 HydrophobicContact CD2-CE2 4.31Å; L339-F347 HydrophobicContact CG-CE2 4.24Å; A340-F347 HydrophobicContact CB-CD2 3.94Å; A340-F347 HydrophobicContact CB-CE2 3.67Å; A340-F347 HydrophobicContact CB-CZ 4.34Å; K345-F347 PolarHBondContact O-N 3.04Å; K345-F347 VanDerWaalsContact O-N 3.14Å; F347-I349 VanDerWaalsContact C-N 3.3Å; F347-I349 PolarHBondContact O-N 2.96Å; F347-E350 PolarHBondContact O-N 2.87Å; F347-L351 HydrophobicContact CE1-CB 4.49Å; F347-L351 HydrophobicContact CE1-CD2 4.09Å; F347-L351 HydrophobicContact CZ-CB 4.34Å; F347-L351 HydrophobicContact CZ-CD2 4.2Å; F347-L351 WeakPolarHBondContact O-CB 3.46Å; F347-L351 PolarHBondContact O-N 2.86Å |
| 348 | V | 91.5 | Very high | 90.8 | Very high | 57 Ų | 57 | 76.1 Ų | 76.1 | 35% | 0.345 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58 | -42 | 177.5 | -179.9 | 0 | 0 | 0 | 0 | 111.8 | V299 A346 I352 | V299-V348 HydrophobicContact CB-CG2 4.38Å; V299-V348 HydrophobicContact CG1-CB 4.36Å; V299-V348 HydrophobicContact CG1-CG1 4.49Å; V299-V348 HydrophobicContact CG1-CG2 3.77Å; V299-V348 HydrophobicContact CG2-CG2 3.68Å; A346-V348 PolarHBondContact O-N 3.28Å; V348-I352 HydrophobicContact CG1-CD1 3.91Å; V348-I352 WeakPolarHBondContact O-CB 3.24Å; V348-I352 VanDerWaalsContact O-CG1 3.24Å; V348-I352 WeakPolarHBondContact O-CG1 3.24Å; V348-I352 PolarHBondContact O-N 3.43Å |
| 349 | I | 92.3 | Very high | 91 | Very high | 101 Ų | 101 | 73.6 Ų | 73.6 | 52% | 0.518 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -69.7 | -42.2 | -178.7 | -61.2 | 176.3 | 0 | 0 | 0 | 110 | A346 F347 I352 T353 | A346-I349 HydrophobicContact CB-CD1 4.18Å; A346-I349 HydrophobicContact CB-CG1 4.37Å; A346-I349 WeakPolarHBondContact O-CB 3.49Å; A346-I349 PolarHBondContact O-N 3.28Å; F347-I349 VanDerWaalsContact C-N 3.3Å; F347-I349 PolarHBondContact O-N 2.96Å; I349-I352 PolarHBondContact O-N 2.91Å; I349-T353 WeakPolarHBondContact O-CB 3.47Å; I349-T353 PolarHBondContact O-N 3.18Å; I349-T353 PolarHBondContact O-OG1 2.86Å |
| 350 | E | 93.8 | Very high | 91.2 | Very high | 30 Ų | 30 | 73.4 Ų | 73.4 | 14% | 0.14 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 177.6 | -64 | -165.4 | -173.8 | 0 | 0 | 111.8 | S343 T344 K345 A346 F347 T353 F354 | S343-E350 VanDerWaalsContact CA-OE2 3.25Å; S343-E350 WeakPolarHBondContact CA-OE2 3.33Å; S343-E350 VanDerWaalsContact OG-CD 3.29Å; S343-E350 PolarHBondContact OG-OE1 3.44Å; S343-E350 PolarHBondContact OG-OE2 2.94Å; T344-E350 PolarHBondContact N-OE1 3.37Å; K345-E350 HydrophobicContact CB-CG 4.04Å; K345-E350 WeakPolarHBondContact CB-OE1 3.35Å; K345-E350 PolarHBondContact N-OE1 3.15Å; A346-E350 PolarHBondContact O-N 2.83Å; F347-E350 PolarHBondContact O-N 2.87Å; E350-T353 WeakPolarHBondContact O-CB 3.41Å; E350-T353 PolarHBondContact O-N 2.9Å; E350-F354 WeakPolarHBondContact O-CB 3.27Å; E350-F354 PolarHBondContact O-N 3.31Å |
| 351 | L | 95.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 175.7 | -177.8 | 63.7 | 0 | 0 | 0 | 111.5 | V299 Y336 L339 F347 T353 F354 L355 | V299-L351 HydrophobicContact CG1-CD2 3.76Å; Y336-L351 HydrophobicContact CD1-CD1 3.76Å; Y336-L351 HydrophobicContact CD2-CD1 3.87Å; Y336-L351 HydrophobicContact CE1-CD1 3.86Å; Y336-L351 HydrophobicContact CE2-CD1 4Å; Y336-L351 HydrophobicContact CG-CD1 3.76Å; L339-L351 HydrophobicContact CD2-CB 4.33Å; L339-L351 HydrophobicContact CD2-CD1 3.97Å; F347-L351 HydrophobicContact CE1-CB 4.49Å; F347-L351 HydrophobicContact CE1-CD2 4.09Å; F347-L351 HydrophobicContact CZ-CB 4.34Å; F347-L351 HydrophobicContact CZ-CD2 4.2Å; F347-L351 WeakPolarHBondContact O-CB 3.46Å; F347-L351 PolarHBondContact O-N 2.86Å; L351-T353 VanDerWaalsContact C-N 3.27Å; L351-T353 PolarHBondContact O-N 2.89Å; L351-F354 PolarHBondContact O-N 2.9Å; L351-L355 HydrophobicContact CD1-CD1 4.01Å; L351-L355 HydrophobicContact CD1-CG 4.1Å; L351-L355 HydrophobicContact CG-CD1 3.87Å; L351-L355 HydrophobicContact CG-CG 4.36Å; L351-L355 WeakPolarHBondContact O-CB 3.29Å; L351-L355 WeakPolarHBondContact O-CG 3.41Å; L351-L355 PolarHBondContact O-N 3.35Å |
| 352 | I | 94.8 | Very high | 91.9 | Very high | 25 Ų | 25 | 70.6 Ų | 70.6 | 13% | 0.128 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.1 | -41.6 | 175.9 | -71.2 | 167.6 | 0 | 0 | 0 | 110.7 | L307 M308 V348 I349 L355 R356 | L307-I352 HydrophobicContact CB-CD1 4.07Å; L307-I352 HydrophobicContact CB-CG1 4.42Å; L307-I352 HydrophobicContact CD1-CD1 4.25Å; L307-I352 HydrophobicContact CD1-CG1 3.89Å; M308-I352 HydrophobicContact CG-CD1 4.33Å; M308-I352 HydrophobicContact SD-CG2 4.39Å; V348-I352 HydrophobicContact CG1-CD1 3.91Å; V348-I352 WeakPolarHBondContact O-CB 3.24Å; V348-I352 VanDerWaalsContact O-CG1 3.24Å; V348-I352 WeakPolarHBondContact O-CG1 3.24Å; V348-I352 PolarHBondContact O-N 3.43Å; I349-I352 PolarHBondContact O-N 2.91Å; I352-L355 PolarHBondContact O-N 2.92Å; I352-R356 HydrophobicContact CG2-CG 4.41Å; I352-R356 WeakPolarHBondContact O-CB 3.36Å; I352-R356 WeakPolarHBondContact O-CG 3.19Å; I352-R356 PolarHBondContact O-N 2.8Å |
| 353 | T | 94.6 | Very high | 92.3 | Very high | 69 Ų | 69 | 66 Ų | 66 | 42% | 0.423 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.4 | -47.6 | 178.4 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | I349 E350 L351 L355 R356 Q357 | I349-T353 WeakPolarHBondContact O-CB 3.47Å; I349-T353 PolarHBondContact O-N 3.18Å; I349-T353 PolarHBondContact O-OG1 2.86Å; E350-T353 WeakPolarHBondContact O-CB 3.41Å; E350-T353 PolarHBondContact O-N 2.9Å; L351-T353 VanDerWaalsContact C-N 3.27Å; L351-T353 PolarHBondContact O-N 2.89Å; T353-L355 VanDerWaalsContact C-N 3.35Å; T353-L355 PolarHBondContact O-N 2.98Å; T353-R356 PolarHBondContact O-N 3.47Å; T353-Q357 WeakPolarHBondContact O-CG 3.18Å; T353-Q357 PolarHBondContact O-N 3Å; T353-Q357 VanDerWaalsContact O-N 3.17Å |
| 354 | F | 95.4 | Very high | 92.9 | Very high | 51 Ų | 51 | 65.4 Ų | 65.4 | 22% | 0.224 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.1 | -48 | 176.1 | -178.7 | -88.4 | 0 | 0 | 0 | 111.4 | Y336 L339 E350 L351 Q357 K359 | Y336-F354 HydrophobicContact CD1-CE1 4.39Å; Y336-F354 HydrophobicContact CE1-CD1 4.43Å; Y336-F354 HydrophobicContact CE1-CE1 4.15Å; L339-F354 HydrophobicContact CD1-CD2 4.41Å; L339-F354 HydrophobicContact CD2-CB 3.94Å; L339-F354 HydrophobicContact CD2-CD2 4.31Å; L339-F354 HydrophobicContact CD2-CG 4.05Å; E350-F354 WeakPolarHBondContact O-CB 3.27Å; E350-F354 PolarHBondContact O-N 3.31Å; L351-F354 PolarHBondContact O-N 2.9Å; F354-Q357 PolarHBondContact O-N 3.41Å; F354-K359 HydrophobicContact CD1-CB 3.73Å; F354-K359 HydrophobicContact CD2-CB 4.13Å; F354-K359 HydrophobicContact CD2-CD 3.73Å; F354-K359 HydrophobicContact CE1-CB 3.39Å; F354-K359 HydrophobicContact CE2-CB 3.82Å; F354-K359 HydrophobicContact CE2-CD 3.58Å; F354-K359 HydrophobicContact CE2-CG 4.33Å; F354-K359 HydrophobicContact CG-CB 4.09Å; F354-K359 HydrophobicContact CG-CD 4.35Å; F354-K359 HydrophobicContact CZ-CB 3.43Å; F354-K359 VanDerWaalsContact CZ-CB 3.43Å; F354-K359 HydrophobicContact CZ-CD 4.09Å; F354-K359 HydrophobicContact CZ-CG 4.37Å; F354-K359 WeakPolarHBondContact O-CB 3.43Å; F354-K359 PolarHBondContact O-N 2.79Å |
| 355 | L | 96.6 | Very high | 93.5 | Very high | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.2 | -35.8 | -179 | -65.4 | 173.3 | 0 | 0 | 0 | 112.8 | P304 W319 Y336 L351 I352 T353 Q357 G358 K359 R360 | P304-L355 HydrophobicContact CG-CB 4.34Å; W319-L355 HydrophobicContact CH2-CD1 4.24Å; W319-L355 HydrophobicContact CH2-CD2 4.07Å; W319-L355 HydrophobicContact CZ2-CD1 3.73Å; W319-L355 HydrophobicContact CZ2-CD2 3.8Å; W319-L355 HydrophobicContact CZ2-CG 4.32Å; Y336-L355 HydrophobicContact CE1-CD2 4.27Å; L351-L355 HydrophobicContact CD1-CD1 4.01Å; L351-L355 HydrophobicContact CD1-CG 4.1Å; L351-L355 HydrophobicContact CG-CD1 3.87Å; L351-L355 HydrophobicContact CG-CG 4.36Å; L351-L355 WeakPolarHBondContact O-CB 3.29Å; L351-L355 WeakPolarHBondContact O-CG 3.41Å; L351-L355 PolarHBondContact O-N 3.35Å; I352-L355 PolarHBondContact O-N 2.92Å; T353-L355 VanDerWaalsContact C-N 3.35Å; T353-L355 PolarHBondContact O-N 2.98Å; L355-Q357 VanDerWaalsContact C-N 3.26Å; L355-Q357 PolarHBondContact O-N 3.25Å; L355-G358 PolarHBondContact O-N 2.88Å; L355-G358 VanDerWaalsContact O-N 3.1Å; L355-K359 WeakPolarHBondContact CD2-O 3.21Å; L355-R360 PolarHBondContact O-NH1 3.19Å |
| 356 | R | 94.3 | Very high | 93.9 | Very high | 173 Ų | 173 | 65.3 Ų | 65.3 | 65% | 0.653 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67.8 | -24.6 | 175.6 | -80.7 | 177.8 | 162.8 | -167.6 | -11.7 | 113.3 | M308 I352 T353 G358 | M308-R356 PolarHBondContact SD-NH2 2.91Å; I352-R356 HydrophobicContact CG2-CG 4.41Å; I352-R356 WeakPolarHBondContact O-CB 3.36Å; I352-R356 WeakPolarHBondContact O-CG 3.19Å; I352-R356 PolarHBondContact O-N 2.8Å; T353-R356 PolarHBondContact O-N 3.47Å; R356-G358 PolarHBondContact O-N 3.02Å |
| 357 | Q | 95.3 | Very high | 94.2 | Very high | 116 Ų | 116 | 62.9 Ų | 62.9 | 54% | 0.542 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | 6.6 | 171.3 | -67.6 | 172 | 3.7 | 0 | 0 | 113.2 | T353 F354 L355 K359 | T353-Q357 WeakPolarHBondContact O-CG 3.18Å; T353-Q357 PolarHBondContact O-N 3Å; T353-Q357 VanDerWaalsContact O-N 3.17Å; F354-Q357 PolarHBondContact O-N 3.41Å; L355-Q357 VanDerWaalsContact C-N 3.26Å; L355-Q357 PolarHBondContact O-N 3.25Å; Q357-K359 HydrophobicContact CB-CD 4.46Å; Q357-K359 HydrophobicContact CB-CG 4.3Å; Q357-K359 PolarHBondContact O-N 2.96Å |
| 358 | G | 94.8 | Very high | 94.4 | Very high | 52 Ų | 52 | 62.4 Ų | 62.4 | 54% | 0.536 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -3.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L355 R356 R360 | L355-G358 PolarHBondContact O-N 2.88Å; L355-G358 VanDerWaalsContact O-N 3.1Å; R356-G358 PolarHBondContact O-N 3.02Å; G358-R360 PolarHBondContact O-NH1 2.83Å |
| 359 | K | 96.2 | Very high | 94.6 | Very high | 103 Ų | 103 | 65.4 Ų | 65.4 | 45% | 0.448 | 35% | 0.348 | S | S | . | . | trans | -72.1 | 147.3 | 178.1 | -56.5 | 175.9 | 177.9 | 163.4 | 0 | 110.7 | F354 L355 Q357 | F354-K359 HydrophobicContact CD1-CB 3.73Å; F354-K359 HydrophobicContact CD2-CB 4.13Å; F354-K359 HydrophobicContact CD2-CD 3.73Å; F354-K359 HydrophobicContact CE1-CB 3.39Å; F354-K359 HydrophobicContact CE2-CB 3.82Å; F354-K359 HydrophobicContact CE2-CD 3.58Å; F354-K359 HydrophobicContact CE2-CG 4.33Å; F354-K359 HydrophobicContact CG-CB 4.09Å; F354-K359 HydrophobicContact CG-CD 4.35Å; F354-K359 HydrophobicContact CZ-CB 3.43Å; F354-K359 VanDerWaalsContact CZ-CB 3.43Å; F354-K359 HydrophobicContact CZ-CD 4.09Å; F354-K359 HydrophobicContact CZ-CG 4.37Å; F354-K359 WeakPolarHBondContact O-CB 3.43Å; F354-K359 PolarHBondContact O-N 2.79Å; L355-K359 WeakPolarHBondContact CD2-O 3.21Å; Q357-K359 HydrophobicContact CB-CD 4.46Å; Q357-K359 HydrophobicContact CB-CG 4.3Å; Q357-K359 PolarHBondContact O-N 2.96Å | ||
| 360 | R | 97.1 | Very high | 94.8 | Very high | 31 Ų | 31 | 66.3 Ų | 66.3 | 12% | 0.117 | 35% | 0.35 | C | S | . | . | trans | -138.9 | 174.3 | -178.9 | -62.6 | -62.1 | -178.7 | -90.4 | 0.7 | 109.9 | L355 G358 T362 M376 W379 | L355-R360 PolarHBondContact O-NH1 3.19Å; G358-R360 PolarHBondContact O-NH1 2.83Å; R360-T362 PolarHBondContact O-N 2.92Å; R360-M376 HydrophobicContact CB-CE 3.92Å; R360-M376 HydrophobicContact CB-SD 4.11Å; R360-M376 HydrophobicContact CG-CE 3.71Å; R360-M376 HydrophobicContact CG-SD 4.37Å; R360-W379 HydrophobicContact CB-CE3 3.81Å; R360-W379 HydrophobicContact CB-CZ3 4.17Å; R360-W379 HydrophobicContact CG-CB 4.28Å; R360-W379 HydrophobicContact CG-CE3 4.12Å; R360-W379 PolarHBondContact NE-O 3Å; R360-W379 PolarHBondContact NH2-O 2.71Å | ||
| 361 | L | 97.3 | Very high | 94.9 | Very high | 12 Ų | 12 | 64.9 Ų | 64.9 | 6% | 0.063 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 134.6 | 167.2 | -69.9 | 164.2 | 0 | 0 | 0 | 109.4 | V323 W326 P335 Y336 P363 W379 | V323-L361 HydrophobicContact CG1-CD1 4.17Å; V323-L361 HydrophobicContact CG2-CD1 4.34Å; W326-L361 HydrophobicContact CB-CD1 4.07Å; W326-L361 HydrophobicContact CD2-CB 4.38Å; W326-L361 HydrophobicContact CD2-CD1 3.91Å; W326-L361 HydrophobicContact CD2-CD2 4.32Å; W326-L361 HydrophobicContact CD2-CG 4.42Å; W326-L361 HydrophobicContact CE3-CD1 4.27Å; W326-L361 HydrophobicContact CG-CB 4.06Å; W326-L361 HydrophobicContact CG-CD1 3.81Å; W326-L361 HydrophobicContact CG-CG 4.41Å; W326-L361 HydrophobicContact CZ2-CD2 4.26Å; P335-L361 HydrophobicContact CB-CD1 4.08Å; P335-L361 HydrophobicContact CB-CD2 4.27Å; Y336-L361 HydrophobicContact CD1-CD2 3.6Å; Y336-L361 HydrophobicContact CD1-CG 4.1Å; Y336-L361 HydrophobicContact CD2-CD2 4.04Å; Y336-L361 HydrophobicContact CD2-CG 4.45Å; Y336-L361 HydrophobicContact CE1-CD1 4.47Å; Y336-L361 HydrophobicContact CE1-CD2 3.64Å; Y336-L361 HydrophobicContact CE1-CG 3.58Å; Y336-L361 HydrophobicContact CE2-CD1 3.98Å; Y336-L361 HydrophobicContact CE2-CD2 4.05Å; Y336-L361 HydrophobicContact CE2-CG 3.95Å; Y336-L361 HydrophobicContact CG-CD2 3.82Å; Y336-L361 VanDerWaalsContact CZ-CG 3.48Å; L361-P363 WeakPolarHBondContact O-CD 3.36Å; L361-W379 HydrophobicContact CB-CH2 3.68Å; L361-W379 HydrophobicContact CB-CZ2 4.35Å; L361-W379 HydrophobicContact CB-CZ3 4.1Å; L361-W379 HydrophobicContact CD1-CH2 4.06Å; L361-W379 HydrophobicContact CD1-CZ2 3.92Å; L361-W379 HydrophobicContact CG-CH2 4.39Å |
| 362 | T | 96 | Very high | 95 | Very high | 115 Ų | 115 | 67.8 Ų | 67.8 | 71% | 0.706 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 124 | 176.6 | -53.7 | 0 | 0 | 0 | 0 | 109.4 | W326 R360 | W326-T362 PolarHBondContact NE1-O 2.82Å; R360-T362 PolarHBondContact O-N 2.92Å |
| 363 | P | 94.2 | Very high | 95.2 | Very high | 29 Ų | 29 | 69.1 Ų | 69.1 | 19% | 0.188 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 141.2 | 172 | -19.2 | 29.2 | 0 | 0 | 0 | 111.3 | L361 K372 M375 | L361-P363 WeakPolarHBondContact O-CD 3.36Å; P363-K372 HydrophobicContact CB-CD 4.46Å; P363-K372 HydrophobicContact CB-CG 3.81Å; P363-K372 HydrophobicContact CG-CB 4.42Å; P363-K372 HydrophobicContact CG-CG 3.97Å; P363-M375 HydrophobicContact CB-CE 3.54Å; P363-M375 HydrophobicContact CG-CE 3.53Å |
| 364 | P | 93.4 | Very high | 95.4 | Very high | 24 Ų | 24 | 65.8 Ų | 65.8 | 16% | 0.156 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 155.3 | 178 | -28.9 | 39.3 | 0 | 0 | 0 | 113.3 | L329 T330 T367 | L329-P364 HydrophobicContact CB-CG 3.81Å; T330-P364 HydrophobicContact CG2-CG 3.51Å; P364-T367 WeakPolarHBondContact O-CB 3.32Å; P364-T367 PolarHBondContact O-N 3.13Å; P364-T367 PolarHBondContact O-OG1 3.26Å |
| 365 | P | 90.4 | Very high | 95.5 | Very high | 115 Ų | 115 | 63.4 Ų | 63.4 | 75% | 0.747 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 146.1 | 173.7 | -25.1 | 34.5 | 0 | 0 | 0 | 111.6 | T367 | P365-T367 PolarHBondContact O-N 3.28Å; P365-T367 VanDerWaalsContact O-N 3.12Å |
| 366 | N | 88.1 | Confident | 95.5 | Very high | 159 Ų | 159 | 67 Ų | 67 | 85% | 0.85 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 6.3 | -179.9 | -48.8 | -43.8 | 0 | 0 | 0 | 116.4 | ||
| 367 | T | 95.2 | Very high | 95.7 | Very high | 9 Ų | 9 | 63.5 Ų | 63.5 | 6% | 0.055 | 34% | 0.341 | C | S | . | . | trans | -59.8 | 127.6 | 169.6 | -55.5 | 0 | 0 | 0 | 0 | 109.6 | L329 P364 P365 L371 K372 | L329-T367 HydrophobicContact CD1-CG2 3.9Å; P364-T367 WeakPolarHBondContact O-CB 3.32Å; P364-T367 PolarHBondContact O-N 3.13Å; P364-T367 PolarHBondContact O-OG1 3.26Å; P365-T367 PolarHBondContact O-N 3.28Å; P365-T367 VanDerWaalsContact O-N 3.12Å; T367-L371 HydrophobicContact CG2-CB 4.06Å; T367-L371 HydrophobicContact CG2-CD2 4.01Å; T367-L371 HydrophobicContact CG2-CG 4.13Å; T367-K372 HydrophobicContact CG2-CG 3.73Å; T367-K372 WeakPolarHBondContact O-CE 3.46Å; T367-K372 PolarHBondContact O-NZ 3.49Å | ||
| 368 | P | 95 | Very high | 95.9 | Very high | 34 Ų | 34 | 58 Ų | 58 | 22% | 0.221 | 32% | 0.316 | C | S | . | . | trans | -60.2 | 150.2 | 178.1 | -22.5 | 31 | 0 | 0 | 0 | 112.7 | L234 E370 L371 K372 | L234-P368 HydrophobicContact CD2-CG 3.43Å; L234-P368 VanDerWaalsContact CD2-CG 3.43Å; P368-E370 VanDerWaalsContact C-N 3.32Å; P368-E370 PolarHBondContact O-N 3.24Å; P368-L371 PolarHBondContact O-N 2.77Å; P368-L371 VanDerWaalsContact O-N 3.08Å; P368-K372 WeakPolarHBondContact O-CG 3.01Å; P368-K372 PolarHBondContact O-N 2.89Å | ||
| 369 | E | 96.1 | Very high | 96.1 | Very high | 121 Ų | 121 | 55.6 Ų | 55.6 | 57% | 0.565 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.9 | -37.3 | -174.5 | -167.9 | 51.5 | -138.2 | 0 | 0 | 113.1 | L371 K372 T373 | E369-L371 VanDerWaalsContact C-N 3.28Å; E369-L371 PolarHBondContact O-N 3.33Å; E369-K372 PolarHBondContact O-N 2.7Å; E369-K372 WeakPolarHBondContact OE2-CD 3.36Å; E369-K372 IonicContact OE2-NZ 2.68Å; E369-T373 VanDerWaalsContact O-CB 3.29Å; E369-T373 WeakPolarHBondContact O-CB 3.46Å; E369-T373 PolarHBondContact O-N 2.93Å; E369-T373 PolarHBondContact O-OG1 2.89Å; E369-T373 PolarHBondContact OE1-OG1 3.09Å |
| 370 | E | 96 | Very high | 96.2 | Very high | 119 Ų | 119 | 54.3 Ų | 54.3 | 56% | 0.556 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.2 | -38.2 | 176.4 | -66.3 | 133.1 | -176.1 | 0 | 0 | 112 | P368 L374 R395 I399 | P368-E370 VanDerWaalsContact C-N 3.32Å; P368-E370 PolarHBondContact O-N 3.24Å; E370-L374 WeakPolarHBondContact O-CB 3.38Å; E370-L374 PolarHBondContact O-N 3.26Å; E370-R395 PolarHBondContact O-NH2 3.42Å; E370-I399 HydrophobicContact CB-CD1 3.95Å; E370-I399 HydrophobicContact CB-CG1 4.08Å |
| 371 | L | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -74.6 | -41 | -179.9 | -169.4 | 60.5 | 0 | 0 | 0 | 111.3 | L234 V238 M241 M325 L329 T367 P368 E369 L374 M375 L396 I399 | L234-L371 HydrophobicContact CD1-CD2 4.25Å; V238-L371 HydrophobicContact CG2-CD2 4.09Å; M241-L371 HydrophobicContact CE-CD2 4.31Å; M241-L371 HydrophobicContact SD-CD1 3.9Å; M241-L371 HydrophobicContact SD-CD2 4.33Å; M325-L371 HydrophobicContact CE-CD1 3.45Å; M325-L371 VanDerWaalsContact CE-CD1 3.45Å; M325-L371 HydrophobicContact CE-CG 4.29Å; L329-L371 HydrophobicContact CD1-CD2 4.04Å; L329-L371 HydrophobicContact CD2-CD2 3.93Å; T367-L371 HydrophobicContact CG2-CB 4.06Å; T367-L371 HydrophobicContact CG2-CD2 4.01Å; T367-L371 HydrophobicContact CG2-CG 4.13Å; P368-L371 PolarHBondContact O-N 2.77Å; P368-L371 VanDerWaalsContact O-N 3.08Å; E369-L371 VanDerWaalsContact C-N 3.28Å; E369-L371 PolarHBondContact O-N 3.33Å; L371-L374 PolarHBondContact O-N 3Å; L371-M375 WeakPolarHBondContact O-CB 3.2Å; L371-M375 PolarHBondContact O-N 3.31Å; L371-L396 HydrophobicContact CD1-CD2 3.8Å; L371-I399 HydrophobicContact CB-CD1 4.34Å; L371-I399 HydrophobicContact CD1-CD1 4.23Å |
| 372 | K | 97.7 | Very high | 96.1 | Very high | 62 Ų | 62 | 58.5 Ų | 58.5 | 27% | 0.27 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.8 | -51.8 | 170.2 | -70.4 | 175.1 | 173.7 | 158.7 | 0 | 110.8 | P363 T367 P368 E369 L374 M375 M376 | P363-K372 HydrophobicContact CB-CD 4.46Å; P363-K372 HydrophobicContact CB-CG 3.81Å; P363-K372 HydrophobicContact CG-CB 4.42Å; P363-K372 HydrophobicContact CG-CG 3.97Å; T367-K372 HydrophobicContact CG2-CG 3.73Å; T367-K372 WeakPolarHBondContact O-CE 3.46Å; T367-K372 PolarHBondContact O-NZ 3.49Å; P368-K372 WeakPolarHBondContact O-CG 3.01Å; P368-K372 PolarHBondContact O-N 2.89Å; E369-K372 PolarHBondContact O-N 2.7Å; E369-K372 WeakPolarHBondContact OE2-CD 3.36Å; E369-K372 IonicContact OE2-NZ 2.68Å; K372-L374 VanDerWaalsContact C-N 3.31Å; K372-L374 PolarHBondContact O-N 2.61Å; K372-M375 PolarHBondContact O-N 2.89Å; K372-M376 WeakPolarHBondContact O-CB 3.43Å; K372-M376 VanDerWaalsContact O-CG 3.29Å; K372-M376 WeakPolarHBondContact O-CG 3.49Å; K372-M376 PolarHBondContact O-N 3.32Å |
| 373 | T | 97.9 | Very high | 96.1 | Very high | 53 Ų | 53 | 54.5 Ų | 54.5 | 33% | 0.325 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59 | -42.2 | 179.3 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | E369 K377 | E369-T373 VanDerWaalsContact O-CB 3.29Å; E369-T373 WeakPolarHBondContact O-CB 3.46Å; E369-T373 PolarHBondContact O-N 2.93Å; E369-T373 PolarHBondContact O-OG1 2.89Å; E369-T373 PolarHBondContact OE1-OG1 3.09Å; T373-K377 WeakPolarHBondContact O-CB 3.49Å; T373-K377 WeakPolarHBondContact O-CG 3.46Å; T373-K377 PolarHBondContact O-N 2.77Å |
| 374 | L | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.4 | -48.7 | 176.2 | 179.5 | 59.3 | 0 | 0 | 0 | 112 | M325 E370 L371 K372 M376 K377 C378 I392 R395 L396 | M325-L374 HydrophobicContact CE-CB 4.37Å; M325-L374 HydrophobicContact CE-CD2 4.03Å; M325-L374 HydrophobicContact CE-CG 4.05Å; E370-L374 WeakPolarHBondContact O-CB 3.38Å; E370-L374 PolarHBondContact O-N 3.26Å; L371-L374 PolarHBondContact O-N 3Å; K372-L374 VanDerWaalsContact C-N 3.31Å; K372-L374 PolarHBondContact O-N 2.61Å; L374-M376 VanDerWaalsContact C-N 3.34Å; L374-M376 PolarHBondContact O-N 2.71Å; L374-K377 PolarHBondContact O-N 3.13Å; L374-C378 PolarHBondContact O-N 3.02Å; L374-C378 VanDerWaalsContact O-N 3.15Å; L374-C378 PolarHBondContact O-SG 2.9Å; L374-C378 VanDerWaalsContact O-SG 3.41Å; L374-I392 HydrophobicContact CD1-CG1 4.21Å; L374-I392 HydrophobicContact CD1-CG2 4.45Å; L374-I392 HydrophobicContact CD2-CG2 4.35Å; L374-R395 HydrophobicContact CD1-CB 4.47Å; L374-R395 HydrophobicContact CD2-CB 4.13Å; L374-L396 HydrophobicContact CD2-CD1 4.47Å; L374-L396 HydrophobicContact CD2-CD2 3.71Å; L374-L396 HydrophobicContact CD2-CG 3.69Å |
| 375 | M | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 180 | -170.5 | 169.6 | 60.3 | 0 | 0 | 111.7 | M325 W326 L329 P363 L371 K372 K377 C378 W379 | M325-M375 HydrophobicContact CB-CG 4.33Å; M325-M375 HydrophobicContact CB-SD 4.1Å; M325-M375 HydrophobicContact CE-CB 3.89Å; M325-M375 HydrophobicContact CE-CG 4.48Å; M325-M375 HydrophobicContact SD-CB 4.34Å; W326-M375 HydrophobicContact CB-SD 3.83Å; L329-M375 HydrophobicContact CD1-SD 4.47Å; P363-M375 HydrophobicContact CB-CE 3.54Å; P363-M375 HydrophobicContact CG-CE 3.53Å; L371-M375 WeakPolarHBondContact O-CB 3.2Å; L371-M375 PolarHBondContact O-N 3.31Å; K372-M375 PolarHBondContact O-N 2.89Å; M375-K377 PolarHBondContact O-N 3.13Å; M375-C378 WeakPolarHBondContact O-CB 3.32Å; M375-C378 PolarHBondContact O-N 3.18Å; M375-W379 HydrophobicContact CE-CH2 4.07Å; M375-W379 HydrophobicContact CE-CZ3 4.21Å; M375-W379 HydrophobicContact CG-CE3 4.32Å; M375-W379 HydrophobicContact CG-CH2 3.41Å; M375-W379 VanDerWaalsContact CG-CH2 3.41Å; M375-W379 HydrophobicContact CG-CZ2 3.82Å; M375-W379 HydrophobicContact CG-CZ3 3.7Å; M375-W379 HydrophobicContact SD-CH2 3.63Å; M375-W379 HydrophobicContact SD-CZ2 4.28Å; M375-W379 HydrophobicContact SD-CZ3 4.24Å |
| 376 | M | 98 | Very high | 96.9 | Very high | 79 Ų | 79 | 60.2 Ų | 60.2 | 39% | 0.389 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65 | -38.5 | 176.1 | -67.7 | -58.2 | -66.7 | 0 | 0 | 112.4 | R360 K372 L374 C378 W379 E380 | R360-M376 HydrophobicContact CB-CE 3.92Å; R360-M376 HydrophobicContact CB-SD 4.11Å; R360-M376 HydrophobicContact CG-CE 3.71Å; R360-M376 HydrophobicContact CG-SD 4.37Å; K372-M376 WeakPolarHBondContact O-CB 3.43Å; K372-M376 VanDerWaalsContact O-CG 3.29Å; K372-M376 WeakPolarHBondContact O-CG 3.49Å; K372-M376 PolarHBondContact O-N 3.32Å; L374-M376 VanDerWaalsContact C-N 3.34Å; L374-M376 PolarHBondContact O-N 2.71Å; M376-C378 VanDerWaalsContact C-N 3.27Å; M376-C378 PolarHBondContact O-N 3.18Å; M376-W379 CarbonylContact O-C 3.5Å; M376-W379 WeakPolarHBondContact O-CA 3.22Å; M376-W379 PolarHBondContact O-N 2.73Å; M376-W379 HydrophobicContact SD-CE3 3.77Å; M376-W379 HydrophobicContact SD-CZ3 3.88Å; M376-E380 PolarHBondContact O-N 3.5Å |
| 377 | K | 98.3 | Very high | 97.4 | Very high | 100 Ų | 100 | 53.3 Ų | 53.3 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.1 | -32 | 174 | -80.8 | -167.1 | 179.4 | -170.1 | 0 | 113.1 | T373 L374 M375 W379 E380 P387 | T373-K377 WeakPolarHBondContact O-CB 3.49Å; T373-K377 WeakPolarHBondContact O-CG 3.46Å; T373-K377 PolarHBondContact O-N 2.77Å; L374-K377 PolarHBondContact O-N 3.13Å; M375-K377 PolarHBondContact O-N 3.13Å; K377-W379 PolarHBondContact O-N 2.74Å; K377-E380 WeakPolarHBondContact O-CG 3.24Å; K377-E380 PolarHBondContact O-N 3.45Å; K377-P387 HydrophobicContact CB-CG 4.39Å; K377-P387 WeakPolarHBondContact O-CD 3.36Å |
| 378 | C | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.1 | -21.3 | 172.9 | -65 | 0 | 0 | 0 | 0 | 112.7 | V318 W319 L374 M375 M376 R386 | V318-C378 HydrophobicContact CG1-CB 4.06Å; V318-C378 WeakPolarHBondContact O-CB 3.35Å; W319-C378 WeakPolarHBondContact CA-O 3.45Å; L374-C378 PolarHBondContact O-N 3.02Å; L374-C378 VanDerWaalsContact O-N 3.15Å; L374-C378 PolarHBondContact O-SG 2.9Å; L374-C378 VanDerWaalsContact O-SG 3.41Å; M375-C378 WeakPolarHBondContact O-CB 3.32Å; M375-C378 PolarHBondContact O-N 3.18Å; M376-C378 VanDerWaalsContact C-N 3.27Å; M376-C378 PolarHBondContact O-N 3.18Å; C378-R386 WeakPolarHBondContact O-CD 3.3Å |
| 379 | W | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 23.4 | -178.7 | -55 | -40.6 | 0 | 0 | 0 | 114.2 | W319 G322 V323 W326 R360 L361 M375 M376 K377 A381 | W319-W379 AromaticContact CD2-CD1 3.61Å; W319-W379 HydrophobicContact CD2-CG 4.4Å; W319-W379 AromaticContact CE2-CD1 3.76Å; W319-W379 HydrophobicContact CE3-CB 4.09Å; W319-W379 HydrophobicContact CE3-CG 4.45Å; W319-W379 AromaticContact CG-CD1 3.87Å; W319-W379 HydrophobicContact CH2-CB 4.14Å; W319-W379 HydrophobicContact CZ3-CB 3.91Å; W319-W379 WeakPolarHBondContact CZ3-O 3.4Å; W319-W379 PolarHBondContact O-NE1 3.04Å; G322-W379 WeakPolarHBondContact O-CZ2 3.33Å; V323-W379 HydrophobicContact CG2-CZ2 4.24Å; W326-W379 HydrophobicContact CB-CH2 4.22Å; W326-W379 HydrophobicContact CB-CZ2 4.37Å; R360-W379 HydrophobicContact CB-CE3 3.81Å; R360-W379 HydrophobicContact CB-CZ3 4.17Å; R360-W379 HydrophobicContact CG-CB 4.28Å; R360-W379 HydrophobicContact CG-CE3 4.12Å; R360-W379 PolarHBondContact NE-O 3Å; R360-W379 PolarHBondContact NH2-O 2.71Å; L361-W379 HydrophobicContact CB-CH2 3.68Å; L361-W379 HydrophobicContact CB-CZ2 4.35Å; L361-W379 HydrophobicContact CB-CZ3 4.1Å; L361-W379 HydrophobicContact CD1-CH2 4.06Å; L361-W379 HydrophobicContact CD1-CZ2 3.92Å; L361-W379 HydrophobicContact CG-CH2 4.39Å; M375-W379 HydrophobicContact CE-CH2 4.07Å; M375-W379 HydrophobicContact CE-CZ3 4.21Å; M375-W379 HydrophobicContact CG-CE3 4.32Å; M375-W379 HydrophobicContact CG-CH2 3.41Å; M375-W379 VanDerWaalsContact CG-CH2 3.41Å; M375-W379 HydrophobicContact CG-CZ2 3.82Å; M375-W379 HydrophobicContact CG-CZ3 3.7Å; M375-W379 HydrophobicContact SD-CH2 3.63Å; M375-W379 HydrophobicContact SD-CZ2 4.28Å; M375-W379 HydrophobicContact SD-CZ3 4.24Å; M376-W379 CarbonylContact O-C 3.5Å; M376-W379 WeakPolarHBondContact O-CA 3.22Å; M376-W379 PolarHBondContact O-N 2.73Å; M376-W379 HydrophobicContact SD-CE3 3.77Å; M376-W379 HydrophobicContact SD-CZ3 3.88Å; K377-W379 PolarHBondContact O-N 2.74Å; W379-A381 PolarHBondContact O-N 3.47Å |
| 380 | E | 98.2 | Very high | 97.8 | Very high | 77 Ų | 77 | 56.2 Ų | 56.2 | 36% | 0.36 | 28% | 0.279 | S | S | . | . | trans | -55.1 | 136.9 | 167.9 | -77.8 | -66.4 | 166.7 | 0 | 0 | 110.6 | M376 K377 D382 K385 R386 | M376-E380 PolarHBondContact O-N 3.5Å; K377-E380 WeakPolarHBondContact O-CG 3.24Å; K377-E380 PolarHBondContact O-N 3.45Å; E380-D382 VanDerWaalsContact C-N 3.3Å; E380-D382 PolarHBondContact O-N 3.35Å; E380-K385 HydrophobicContact CB-CB 3.86Å; E380-K385 HydrophobicContact CG-CB 3.9Å; E380-R386 HydrophobicContact CB-CG 3.92Å; E380-R386 PolarHBondContact O-NE 3.43Å; E380-R386 PolarHBondContact O-NH2 3.13Å | ||
| 381 | A | 95.9 | Very high | 98 | Very high | 63 Ų | 63 | 54.1 Ų | 54.1 | 52% | 0.521 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -64.8 | -40.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111 | W379 P383 R386 | W379-A381 PolarHBondContact O-N 3.47Å; A381-P383 WeakPolarHBondContact O-CD 3.44Å; A381-R386 PolarHBondContact O-NH2 3.32Å |
| 382 | D | 96.7 | Very high | 98 | Very high | 67 Ų | 67 | 54.1 Ų | 54.1 | 36% | 0.358 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -79.6 | 117.4 | 172.4 | -179.4 | -1.4 | 0 | 0 | 0 | 110 | E380 E384 K385 | E380-D382 VanDerWaalsContact C-N 3.3Å; E380-D382 PolarHBondContact O-N 3.35Å; D382-E384 PolarHBondContact O-N 3.25Å; D382-E384 PolarHBondContact OD1-N 3.32Å; D382-K385 HydrophobicContact CB-CB 4.32Å; D382-K385 HydrophobicContact CB-CD 4Å; D382-K385 HydrophobicContact CB-CG 3.97Å; D382-K385 PolarHBondContact O-N 2.99Å; D382-K385 VanDerWaalsContact O-N 3.09Å |
| 383 | P | 97.4 | Very high | 98.1 | Very high | 32 Ų | 32 | 51.6 Ų | 51.6 | 21% | 0.208 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -55.7 | -30 | 177.1 | -24.7 | 34.9 | 0 | 0 | 0 | 113.9 | K315 A381 K385 R386 | K315-P383 HydrophobicContact CB-CB 3.93Å; K315-P383 HydrophobicContact CG-CB 4.36Å; K315-P383 WeakPolarHBondContact CG-O 3.22Å; K315-P383 PolarHBondContact NZ-O 2.95Å; A381-P383 WeakPolarHBondContact O-CD 3.44Å; P383-K385 VanDerWaalsContact C-N 3.3Å; P383-K385 PolarHBondContact O-N 3.22Å; P383-R386 WeakPolarHBondContact O-CB 3.16Å; P383-R386 PolarHBondContact O-N 3.45Å |
| 384 | E | 96.9 | Very high | 98.1 | Very high | 145 Ų | 145 | 57.6 Ų | 57.6 | 68% | 0.678 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -70.6 | -28.1 | -179.7 | -65.8 | -50.5 | 128.9 | 0 | 0 | 112.3 | K315 D382 R386 | K315-E384 PolarHBondContact NZ-O 3.26Å; D382-E384 PolarHBondContact O-N 3.25Å; D382-E384 PolarHBondContact OD1-N 3.32Å; E384-R386 VanDerWaalsContact C-N 3.33Å |
| 385 | K | 98.2 | Very high | 98.1 | Very high | 139 Ų | 139 | 60.7 Ų | 60.7 | 60% | 0.604 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -79 | -14.9 | 175.8 | -64.2 | -176.4 | -173.2 | -179.7 | 0 | 113.9 | E380 D382 P383 | E380-K385 HydrophobicContact CB-CB 3.86Å; E380-K385 HydrophobicContact CG-CB 3.9Å; D382-K385 HydrophobicContact CB-CB 4.32Å; D382-K385 HydrophobicContact CB-CD 4Å; D382-K385 HydrophobicContact CB-CG 3.97Å; D382-K385 PolarHBondContact O-N 2.99Å; D382-K385 VanDerWaalsContact O-N 3.09Å; P383-K385 VanDerWaalsContact C-N 3.3Å; P383-K385 PolarHBondContact O-N 3.22Å |
| 386 | R | 98.5 | Very high | 98.1 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 1% | 0.011 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -69.1 | 137 | 174.5 | -60.1 | 177.3 | -163.1 | 149 | 10.1 | 109.4 | D305 K315 V318 C378 E380 A381 P383 E384 | D305-R386 IonicContact OD1-CZ 3.56Å; D305-R386 IonicContact OD1-NH1 3.53Å; D305-R386 IonicContact OD1-NH2 3.04Å; D305-R386 PolarHBondContact OD1-NH2 3.49Å; K315-R386 HydrophobicContact CD-CB 4.33Å; K315-R386 PolarHBondContact NZ-O 3.45Å; K315-R386 WeakPolarHBondContact O-CD 3.43Å; K315-R386 PolarHBondContact O-NH1 2.94Å; V318-R386 HydrophobicContact CG1-CB 3.94Å; C378-R386 WeakPolarHBondContact O-CD 3.3Å; E380-R386 HydrophobicContact CB-CG 3.92Å; E380-R386 PolarHBondContact O-NE 3.43Å; E380-R386 PolarHBondContact O-NH2 3.13Å; A381-R386 PolarHBondContact O-NH2 3.32Å; P383-R386 WeakPolarHBondContact O-CB 3.16Å; P383-R386 PolarHBondContact O-N 3.45Å; E384-R386 VanDerWaalsContact C-N 3.33Å |
| 387 | P | 98.5 | Very high | 98.1 | Very high | 14 Ų | 14 | 58.8 Ų | 58.8 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 157.9 | -179.7 | 28.5 | -34.5 | 0 | 0 | 0 | 111.2 | V318 K377 E391 I392 | V318-P387 HydrophobicContact CG1-CG 4.48Å; V318-P387 WeakPolarHBondContact CG2-O 3.3Å; K377-P387 HydrophobicContact CB-CG 4.39Å; K377-P387 WeakPolarHBondContact O-CD 3.36Å; P387-E391 WeakPolarHBondContact CA-OE2 3.14Å; P387-E391 HydrophobicContact CB-CB 4.25Å; P387-I392 HydrophobicContact CB-CG1 4.01Å; P387-I392 HydrophobicContact CG-CD1 3.98Å; P387-I392 HydrophobicContact CG-CG1 3.66Å |
| 388 | R | 98.5 | Very high | 98.1 | Very high | 137 Ų | 137 | 58.1 Ų | 58.1 | 52% | 0.517 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 157.4 | 169.8 | -64.2 | -178 | -61.6 | 161.2 | 2.4 | 110.7 | V390 E391 I392 | R388-V390 PolarHBondContact O-N 3.28Å; R388-V390 VanDerWaalsContact O-N 3.13Å; R388-E391 IonicContact CZ-OE1 3.96Å; R388-E391 PolarHBondContact N-OE2 2.63Å; R388-E391 VanDerWaalsContact N-OE2 3.12Å; R388-E391 IonicContact NE-OE1 3.15Å; R388-E391 PolarHBondContact NE-OE1 2.72Å; R388-E391 IonicContact NH2-OE1 3.52Å; R388-E391 PolarHBondContact NH2-OE1 2.97Å; R388-E391 VanDerWaalsContact NH2-OE1 3.15Å; R388-E391 WeakPolarHBondContact O-CB 3.34Å; R388-E391 PolarHBondContact O-N 3.04Å; R388-I392 WeakPolarHBondContact O-CG1 3.43Å; R388-I392 PolarHBondContact O-N 2.76Å; R388-I392 VanDerWaalsContact O-N 3.07Å |
| 389 | F | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.3 | -30.8 | 179.9 | -80.1 | -64.8 | 0 | 0 | 0 | 114.2 | M248 V249 A252 E314 D317 V318 F321 E391 I392 A393 | M248-F389 HydrophobicContact CB-CB 4.37Å; M248-F389 HydrophobicContact CB-CD1 3.35Å; M248-F389 HydrophobicContact CB-CD2 3.85Å; M248-F389 HydrophobicContact CB-CE1 3.4Å; M248-F389 HydrophobicContact CB-CE2 3.88Å; M248-F389 HydrophobicContact CB-CG 3.59Å; M248-F389 HydrophobicContact CB-CZ 3.66Å; M248-F389 HydrophobicContact CE-CD2 4.38Å; M248-F389 HydrophobicContact CE-CE1 4.39Å; M248-F389 HydrophobicContact CE-CE2 3.55Å; M248-F389 HydrophobicContact CE-CZ 3.55Å; M248-F389 HydrophobicContact CG-CD1 4.16Å; M248-F389 HydrophobicContact CG-CE1 3.7Å; M248-F389 HydrophobicContact CG-CE2 4.41Å; M248-F389 HydrophobicContact CG-CZ 3.84Å; V249-F389 VanDerWaalsContact CG2-C 3.43Å; V249-F389 HydrophobicContact CG2-CB 3.8Å; V249-F389 WeakPolarHBondContact CG2-O 3.37Å; A252-F389 HydrophobicContact CB-CD2 4.25Å; E314-F389 HydrophobicContact CG-CD2 3.68Å; E314-F389 HydrophobicContact CG-CE2 3.78Å; E314-F389 WeakPolarHBondContact OE1-CD2 3.34Å; E314-F389 PolarHBondContact OE1-N 2.94Å; D317-F389 HydrophobicContact CB-CE2 4.02Å; D317-F389 HydrophobicContact CB-CZ 3.95Å; V318-F389 HydrophobicContact CB-CZ 4.41Å; V318-F389 HydrophobicContact CG2-CD2 4.08Å; V318-F389 HydrophobicContact CG2-CE1 4.2Å; V318-F389 HydrophobicContact CG2-CE2 3.71Å; V318-F389 HydrophobicContact CG2-CG 4.48Å; V318-F389 HydrophobicContact CG2-CZ 3.78Å; F321-F389 HydrophobicContact CB-CE1 3.77Å; F321-F389 HydrophobicContact CB-CZ 4.24Å; F321-F389 HydrophobicContact CD2-CE1 4.02Å; F321-F389 AromaticContact CG-CE1 3.86Å; F321-F389 HydrophobicContact CG-CE1 3.86Å; F389-E391 VanDerWaalsContact C-N 3.34Å; F389-E391 PolarHBondContact O-N 2.81Å; F389-I392 HydrophobicContact CD1-CD1 3.93Å; F389-I392 HydrophobicContact CE1-CD1 4.23Å; F389-I392 PolarHBondContact O-N 2.86Å; F389-A393 WeakPolarHBondContact O-CB 3.05Å; F389-A393 PolarHBondContact O-N 3.07Å |
| 390 | V | 98.5 | Very high | 98 | Very high | 87 Ų | 87 | 61.4 Ų | 61.4 | 53% | 0.527 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 175.9 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | V249 R388 R394 | V249-V390 HydrophobicContact CG1-CG2 3.97Å; V249-V390 HydrophobicContact CG2-CG2 4.17Å; R388-V390 PolarHBondContact O-N 3.28Å; R388-V390 VanDerWaalsContact O-N 3.13Å; V390-R394 WeakPolarHBondContact O-CB 3.36Å; V390-R394 PolarHBondContact O-N 3.15Å |
| 391 | E | 98.5 | Very high | 97.9 | Very high | 76 Ų | 76 | 62.2 Ų | 62.2 | 36% | 0.355 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70.4 | -39.7 | 177.9 | -67.5 | 151.1 | -151.5 | 0 | 0 | 111.1 | P387 R388 F389 R395 | P387-E391 WeakPolarHBondContact CA-OE2 3.14Å; P387-E391 HydrophobicContact CB-CB 4.25Å; R388-E391 IonicContact CZ-OE1 3.96Å; R388-E391 PolarHBondContact N-OE2 2.63Å; R388-E391 VanDerWaalsContact N-OE2 3.12Å; R388-E391 IonicContact NE-OE1 3.15Å; R388-E391 PolarHBondContact NE-OE1 2.72Å; R388-E391 IonicContact NH2-OE1 3.52Å; R388-E391 PolarHBondContact NH2-OE1 2.97Å; R388-E391 VanDerWaalsContact NH2-OE1 3.15Å; R388-E391 WeakPolarHBondContact O-CB 3.34Å; R388-E391 PolarHBondContact O-N 3.04Å; F389-E391 VanDerWaalsContact C-N 3.34Å; F389-E391 PolarHBondContact O-N 2.81Å; E391-R395 WeakPolarHBondContact O-CG 3.4Å; E391-R395 PolarHBondContact O-N 2.91Å |
| 392 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.8 | -50.1 | 174.5 | -62.8 | 172.1 | 0 | 0 | 0 | 110.3 | V318 F321 L374 P387 R388 F389 R394 R395 L396 | V318-I392 HydrophobicContact CG1-CD1 3.83Å; V318-I392 HydrophobicContact CG2-CD1 4.25Å; F321-I392 HydrophobicContact CD1-CD1 4.36Å; F321-I392 HydrophobicContact CD1-CG2 3.9Å; F321-I392 HydrophobicContact CE1-CG2 3.34Å; F321-I392 HydrophobicContact CZ-CG2 3.97Å; L374-I392 HydrophobicContact CD1-CG1 4.21Å; L374-I392 HydrophobicContact CD1-CG2 4.45Å; L374-I392 HydrophobicContact CD2-CG2 4.35Å; P387-I392 HydrophobicContact CB-CG1 4.01Å; P387-I392 HydrophobicContact CG-CD1 3.98Å; P387-I392 HydrophobicContact CG-CG1 3.66Å; R388-I392 WeakPolarHBondContact O-CG1 3.43Å; R388-I392 PolarHBondContact O-N 2.76Å; R388-I392 VanDerWaalsContact O-N 3.07Å; F389-I392 HydrophobicContact CD1-CD1 3.93Å; F389-I392 HydrophobicContact CE1-CD1 4.23Å; F389-I392 PolarHBondContact O-N 2.86Å; I392-R394 PolarHBondContact O-N 3.34Å; I392-R395 PolarHBondContact O-N 3.29Å; I392-L396 HydrophobicContact CG2-CD1 3.83Å; I392-L396 HydrophobicContact CG2-CG 4.45Å; I392-L396 WeakPolarHBondContact O-CG 3.38Å; I392-L396 PolarHBondContact O-N 3.36Å |
| 393 | A | 98.8 | Very high | 97.6 | Very high | 8 Ų | 8 | 59.9 Ų | 59.9 | 7% | 0.066 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.8 | -45.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S245 V249 F389 R395 L396 D397 | S245-A393 WeakPolarHBondContact OG-CA 3.21Å; S245-A393 WeakPolarHBondContact OG-CB 3.38Å; V249-A393 HydrophobicContact CG2-CB 3.92Å; F389-A393 WeakPolarHBondContact O-CB 3.05Å; F389-A393 PolarHBondContact O-N 3.07Å; A393-R395 PolarHBondContact O-N 3.45Å; A393-L396 PolarHBondContact O-N 3.34Å; A393-D397 WeakPolarHBondContact O-CB 3.43Å; A393-D397 PolarHBondContact O-N 3.29Å |
| 394 | R | 98.5 | Very high | 96.8 | Very high | 179 Ų | 179 | 59.7 Ų | 59.7 | 68% | 0.675 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -57.8 | -49.8 | 175.4 | -179.1 | 179.2 | 173.5 | 170.9 | 0.5 | 111.9 | V390 I392 L396 D397 D398 | V390-R394 WeakPolarHBondContact O-CB 3.36Å; V390-R394 PolarHBondContact O-N 3.15Å; I392-R394 PolarHBondContact O-N 3.34Å; R394-L396 VanDerWaalsContact C-N 3.31Å; R394-L396 PolarHBondContact O-N 2.94Å; R394-D397 PolarHBondContact O-N 3.38Å; R394-D398 VanDerWaalsContact O-CG 3.28Å; R394-D398 PolarHBondContact O-N 2.9Å |
| 395 | R | 98.5 | Very high | 95.5 | Very high | 66 Ų | 66 | 57.9 Ų | 57.9 | 25% | 0.249 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 180 | -72.4 | -174.8 | 65.6 | -160.1 | -2.8 | 112.6 | E370 L374 E391 I392 A393 I399 | E370-R395 PolarHBondContact O-NH2 3.42Å; L374-R395 HydrophobicContact CD1-CB 4.47Å; L374-R395 HydrophobicContact CD2-CB 4.13Å; E391-R395 WeakPolarHBondContact O-CG 3.4Å; E391-R395 PolarHBondContact O-N 2.91Å; I392-R395 PolarHBondContact O-N 3.29Å; A393-R395 PolarHBondContact O-N 3.45Å; R395-I399 WeakPolarHBondContact O-CD1 3.47Å; R395-I399 WeakPolarHBondContact O-CG1 3.22Å; R395-I399 PolarHBondContact O-N 2.9Å; R395-I399 VanDerWaalsContact O-N 3.09Å |
| 396 | L | 98.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.7 | -37.7 | 175.5 | -72.3 | 170.2 | 0 | 0 | 0 | 112.2 | V238 M241 V242 F321 M325 L371 L374 I392 A393 R394 I399 Y400 | V238-L396 HydrophobicContact CG1-CD2 4.48Å; M241-L396 HydrophobicContact CB-CD1 3.82Å; M241-L396 HydrophobicContact CB-CD2 3.96Å; M241-L396 HydrophobicContact CB-CG 4.5Å; M241-L396 HydrophobicContact SD-CD2 4.12Å; V242-L396 HydrophobicContact CG2-CB 3.67Å; F321-L396 HydrophobicContact CE1-CD1 3.99Å; F321-L396 HydrophobicContact CZ-CD1 3.71Å; M325-L396 HydrophobicContact CE-CD2 4.39Å; L371-L396 HydrophobicContact CD1-CD2 3.8Å; L374-L396 HydrophobicContact CD2-CD1 4.47Å; L374-L396 HydrophobicContact CD2-CD2 3.71Å; L374-L396 HydrophobicContact CD2-CG 3.69Å; I392-L396 HydrophobicContact CG2-CD1 3.83Å; I392-L396 HydrophobicContact CG2-CG 4.45Å; I392-L396 WeakPolarHBondContact O-CG 3.38Å; I392-L396 PolarHBondContact O-N 3.36Å; A393-L396 PolarHBondContact O-N 3.34Å; R394-L396 VanDerWaalsContact C-N 3.31Å; R394-L396 PolarHBondContact O-N 2.94Å; L396-I399 PolarHBondContact O-N 3.49Å; L396-Y400 VanDerWaalsContact O-CB 3.29Å; L396-Y400 WeakPolarHBondContact O-CB 3.33Å; L396-Y400 PolarHBondContact O-N 2.76Å |
| 397 | D | 97.9 | Very high | 91.6 | Very high | 38 Ų | 38 | 59.9 Ų | 59.9 | 20% | 0.203 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | 173.5 | -82.6 | -34.4 | 0 | 0 | 0 | 110.9 | V242 R246 A393 R394 I399 Y400 I401 | V242-D397 WeakPolarHBondContact CG1-OD1 3.37Å; R246-D397 IonicContact CZ-OD1 3.25Å; R246-D397 IonicContact CZ-OD2 2.68Å; R246-D397 IonicContact NE-OD1 3.32Å; R246-D397 IonicContact NE-OD2 2.9Å; R246-D397 VanDerWaalsContact NH2-CG 3.26Å; R246-D397 IonicContact NH2-OD1 3.53Å; R246-D397 PolarHBondContact NH2-OD1 2.69Å; R246-D397 IonicContact NH2-OD2 3.41Å; R246-D397 PolarHBondContact NH2-OD2 3.49Å; A393-D397 WeakPolarHBondContact O-CB 3.43Å; A393-D397 PolarHBondContact O-N 3.29Å; R394-D397 PolarHBondContact O-N 3.38Å; D397-I399 PolarHBondContact O-N 2.92Å; D397-Y400 WeakPolarHBondContact O-CB 3.21Å; D397-Y400 PolarHBondContact O-N 2.93Å; D397-I401 VanDerWaalsContact O-CG1 3.31Å; D397-I401 WeakPolarHBondContact O-CG1 3.44Å; D397-I401 PolarHBondContact O-N 2.77Å |
| 398 | D | 97.7 | Very high | 89 | Confident | 87 Ų | 87 | 60.9 Ų | 60.9 | 47% | 0.465 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 176.2 | -63.6 | -26.3 | 0 | 0 | 0 | 111.5 | R394 Y400 I401 A402 | R394-D398 VanDerWaalsContact O-CG 3.28Å; R394-D398 PolarHBondContact O-N 2.9Å; D398-Y400 VanDerWaalsContact C-N 3.34Å; D398-Y400 PolarHBondContact O-N 2.89Å; D398-I401 PolarHBondContact O-N 2.66Å; D398-A402 WeakPolarHBondContact O-CB 3.18Å; D398-A402 PolarHBondContact O-N 3.21Å |
| 399 | I | 97.3 | Very high | 86.4 | Confident | 9 Ų | 9 | 59.9 Ų | 59.9 | 5% | 0.046 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 176.1 | -65.8 | 164.1 | 0 | 0 | 0 | 110.6 | V238 E370 L371 R395 L396 D397 I401 A402 L403 | V238-I399 HydrophobicContact CG1-CB 4.38Å; V238-I399 HydrophobicContact CG1-CG2 4.07Å; V238-I399 HydrophobicContact CG2-CG2 4.04Å; E370-I399 HydrophobicContact CB-CD1 3.95Å; E370-I399 HydrophobicContact CB-CG1 4.08Å; L371-I399 HydrophobicContact CB-CD1 4.34Å; L371-I399 HydrophobicContact CD1-CD1 4.23Å; R395-I399 WeakPolarHBondContact O-CD1 3.47Å; R395-I399 WeakPolarHBondContact O-CG1 3.22Å; R395-I399 PolarHBondContact O-N 2.9Å; R395-I399 VanDerWaalsContact O-N 3.09Å; L396-I399 PolarHBondContact O-N 3.49Å; D397-I399 PolarHBondContact O-N 2.92Å; I399-I401 VanDerWaalsContact C-N 3.34Å; I399-I401 PolarHBondContact O-N 3.37Å; I399-A402 PolarHBondContact O-N 2.93Å; I399-L403 HydrophobicContact CG2-CD1 4.09Å; I399-L403 HydrophobicContact CG2-CG 4.49Å; I399-L403 VanDerWaalsContact O-CG 3.31Å; I399-L403 WeakPolarHBondContact O-CG 3.42Å; I399-L403 PolarHBondContact O-N 3.39Å; I399-L403 VanDerWaalsContact O-N 3.08Å |
| 400 | Y | 96.8 | Very high | 83.9 | Confident | 61 Ų | 61 | 66.2 Ų | 66.2 | 24% | 0.239 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.6 | -41 | 179.5 | -179.4 | -106.1 | 0 | 0 | 0 | 112.1 | R235 V238 K239 L396 D397 D398 S404 | R235-Y400 HydrophobicContact CG-CD2 3.94Å; R235-Y400 HydrophobicContact CG-CE2 3.7Å; V238-Y400 HydrophobicContact CG1-CD2 4.41Å; K239-Y400 HydrophobicContact CB-CD2 4.12Å; K239-Y400 HydrophobicContact CB-CE2 3.65Å; K239-Y400 HydrophobicContact CD-CE2 4.44Å; K239-Y400 HydrophobicContact CG-CE2 4.05Å; L396-Y400 VanDerWaalsContact O-CB 3.29Å; L396-Y400 WeakPolarHBondContact O-CB 3.33Å; L396-Y400 PolarHBondContact O-N 2.76Å; D397-Y400 WeakPolarHBondContact O-CB 3.21Å; D397-Y400 PolarHBondContact O-N 2.93Å; D398-Y400 VanDerWaalsContact C-N 3.34Å; D398-Y400 PolarHBondContact O-N 2.89Å; Y400-S404 PolarHBondContact O-OG 3.38Å |
| 401 | I | 96 | Very high | 81.3 | Confident | 95 Ų | 95 | 66.2 Ų | 66.2 | 49% | 0.487 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.8 | -50.7 | 175.7 | -67.7 | 165.4 | 0 | 0 | 0 | 109.9 | D397 D398 I399 L403 S404 | D397-I401 VanDerWaalsContact O-CG1 3.31Å; D397-I401 WeakPolarHBondContact O-CG1 3.44Å; D397-I401 PolarHBondContact O-N 2.77Å; D398-I401 PolarHBondContact O-N 2.66Å; I399-I401 VanDerWaalsContact C-N 3.34Å; I399-I401 PolarHBondContact O-N 3.37Å; I401-L403 VanDerWaalsContact C-N 3.26Å; I401-L403 PolarHBondContact O-N 3.05Å; I401-S404 WeakPolarHBondContact O-CA 3.48Å; I401-S404 WeakPolarHBondContact O-CB 3.36Å; I401-S404 PolarHBondContact O-N 2.92Å; I401-S404 PolarHBondContact O-OG 3.48Å |
| 402 | A | 94.6 | Very high | 78.7 | Confident | 46 Ų | 46 | 69.1 Ų | 69.1 | 38% | 0.38 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60 | -31.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D398 I399 S404 D405 | D398-A402 WeakPolarHBondContact O-CB 3.18Å; D398-A402 PolarHBondContact O-N 3.21Å; I399-A402 PolarHBondContact O-N 2.93Å; A402-S404 PolarHBondContact O-N 3.25Å; A402-D405 PolarHBondContact O-N 3.42Å |
| 403 | L | 92.7 | Very high | 76.3 | Confident | 35 Ų | 35 | 75.9 Ų | 75.9 | 18% | 0.183 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -70.2 | -19.5 | 173.8 | -70.5 | 172.5 | 0 | 0 | 0 | 113.2 | L234 R235 V238 I399 I401 | L234-L403 HydrophobicContact CD2-CD1 4.26Å; L234-L403 HydrophobicContact CD2-CD2 3.98Å; L234-L403 HydrophobicContact CG-CD1 4.05Å; R235-L403 HydrophobicContact CB-CB 4.08Å; R235-L403 HydrophobicContact CB-CD1 4.23Å; R235-L403 HydrophobicContact CG-CB 4.02Å; V238-L403 HydrophobicContact CB-CD1 4.27Å; V238-L403 HydrophobicContact CG2-CD1 3.87Å; I399-L403 HydrophobicContact CG2-CD1 4.09Å; I399-L403 HydrophobicContact CG2-CG 4.49Å; I399-L403 VanDerWaalsContact O-CG 3.31Å; I399-L403 WeakPolarHBondContact O-CG 3.42Å; I399-L403 PolarHBondContact O-N 3.39Å; I399-L403 VanDerWaalsContact O-N 3.08Å; I401-L403 VanDerWaalsContact C-N 3.26Å; I401-L403 PolarHBondContact O-N 3.05Å |
| 404 | S | 81.3 | Confident | 73.9 | Confident | 27 Ų | 27 | 79.2 Ų | 79.2 | 19% | 0.189 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -72.8 | -43.2 | 175.4 | -44 | 0 | 0 | 0 | 0 | 111.3 | R235 Y400 I401 A402 K406 G407 G408 | R235-S404 VanDerWaalsContact CZ-CB 3.48Å; R235-S404 PolarHBondContact NE-OG 2.79Å; R235-S404 VanDerWaalsContact NE-OG 3.15Å; R235-S404 VanDerWaalsContact NH2-CB 3.3Å; R235-S404 PolarHBondContact NH2-OG 3.39Å; Y400-S404 PolarHBondContact O-OG 3.38Å; I401-S404 WeakPolarHBondContact O-CA 3.48Å; I401-S404 WeakPolarHBondContact O-CB 3.36Å; I401-S404 PolarHBondContact O-N 2.92Å; I401-S404 PolarHBondContact O-OG 3.48Å; A402-S404 PolarHBondContact O-N 3.25Å; S404-K406 VanDerWaalsContact C-N 3.32Å; S404-K406 PolarHBondContact O-N 3.14Å; S404-G407 PolarHBondContact O-N 2.75Å; S404-G408 PolarHBondContact O-N 2.84Å |
| 405 | D | 67.6 | Low | 71.4 | Confident | 107 Ų | 107 | 80.7 Ų | 80.7 | 57% | 0.572 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -68.7 | -33.4 | -175 | -63.6 | -21.8 | 0 | 0 | 0 | 111.7 | A402 G408 M409 | A402-D405 PolarHBondContact O-N 3.42Å; D405-G408 PolarHBondContact O-N 2.78Å; D405-M409 VanDerWaalsContact O-CB 3.22Å; D405-M409 WeakPolarHBondContact O-CB 3.45Å; D405-M409 PolarHBondContact O-N 3.49Å |
| 406 | K | 61.4 | Low | 69 | Low | 146 Ų | 146 | 82.7 Ų | 82.7 | 64% | 0.635 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67.3 | -36.4 | 175.1 | -67.4 | -173.9 | 179.7 | -179.9 | 0 | 112.6 | S404 L410 | S404-K406 VanDerWaalsContact C-N 3.32Å; S404-K406 PolarHBondContact O-N 3.14Å; K406-L410 PolarHBondContact O-N 3Å; K406-L410 VanDerWaalsContact O-N 3.15Å |
| 407 | G | 53.9 | Low | 66.6 | Low | 39 Ų | 39 | 87.6 Ų | 87.6 | 40% | 0.402 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S404 T411 | S404-G407 PolarHBondContact O-N 2.75Å; G407-T411 PolarHBondContact O-N 3.32Å; G407-T411 PolarHBondContact O-OG1 3.46Å |
| 408 | G | 44.4 | Very low | 64.1 | Low | 34 Ų | 34 | 91.6 Ų | 91.6 | 35% | 0.351 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | S404 D405 T411 M412 | S404-G408 PolarHBondContact O-N 2.84Å; D405-G408 PolarHBondContact O-N 2.78Å; G408-T411 WeakPolarHBondContact CA-OG1 3.46Å; G408-T411 PolarHBondContact O-N 2.82Å; G408-T411 PolarHBondContact O-OG1 2.81Å; G408-M412 PolarHBondContact O-N 3.32Å |
| 409 | M | 44.3 | Very low | 61.4 | Low | 116 Ų | 116 | 92.1 Ų | 92.1 | 57% | 0.571 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.1 | -40 | -179.9 | -167.1 | 172.2 | -85.3 | 0 | 0 | 111.4 | D405 T411 M412 F413 | D405-M409 VanDerWaalsContact O-CB 3.22Å; D405-M409 WeakPolarHBondContact O-CB 3.45Å; D405-M409 PolarHBondContact O-N 3.49Å; M409-T411 VanDerWaalsContact C-N 3.31Å; M409-T411 PolarHBondContact O-N 3.14Å; M409-M412 PolarHBondContact O-N 3.28Å; M409-F413 HydrophobicContact CG-CD2 3.91Å; M409-F413 HydrophobicContact CG-CE2 3.58Å; M409-F413 WeakPolarHBondContact O-CD2 3.14Å; M409-F413 PolarHBondContact O-N 2.65Å; M409-F413 VanDerWaalsContact O-N 3.1Å; M409-F413 HydrophobicContact SD-CE2 4.26Å |
| 410 | L | 45.1 | Very low | 58.5 | Low | 135 Ų | 135 | 94.2 Ų | 94.2 | 71% | 0.707 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.8 | -37.3 | 171.4 | -83.7 | 158.3 | 0 | 0 | 0 | 112.5 | K406 S414 | K406-L410 PolarHBondContact O-N 3Å; K406-L410 VanDerWaalsContact O-N 3.15Å; L410-S414 PolarHBondContact O-N 2.77Å |
| 411 | T | 44.7 | Very low | 55.8 | Low | 87 Ų | 87 | 102 Ų | 102 | 53% | 0.534 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -75.7 | -23.6 | 175.3 | 57 | 0 | 0 | 0 | 0 | 114.3 | G407 G408 M409 S414 | G407-T411 PolarHBondContact O-N 3.32Å; G407-T411 PolarHBondContact O-OG1 3.46Å; G408-T411 WeakPolarHBondContact CA-OG1 3.46Å; G408-T411 PolarHBondContact O-N 2.82Å; G408-T411 PolarHBondContact O-OG1 2.81Å; M409-T411 VanDerWaalsContact C-N 3.31Å; M409-T411 PolarHBondContact O-N 3.14Å; T411-S414 PolarHBondContact O-OG 3.3Å; T411-S414 VanDerWaalsContact O-OG 3.13Å |
| 412 | M | 44 | Very low | 53.8 | Low | 136 Ų | 136 | 102.4 Ų | 102.4 | 67% | 0.67 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -76.1 | -39.9 | 176.1 | -132 | -157.8 | -67.8 | 0 | 0 | 110.9 | G408 M409 S414 R415 V416 | G408-M412 PolarHBondContact O-N 3.32Å; M409-M412 PolarHBondContact O-N 3.28Å; M412-S414 VanDerWaalsContact C-N 3.32Å; M412-S414 PolarHBondContact O-N 2.93Å; M412-R415 PolarHBondContact O-N 3.07Å; M412-V416 WeakPolarHBondContact O-CG2 3.49Å; M412-V416 PolarHBondContact O-N 2.86Å |
| 413 | F | 48.3 | Very low | 51.6 | Low | 142 Ų | 142 | 105.3 Ų | 105.3 | 62% | 0.623 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.6 | -29.3 | 176.6 | -77.9 | -68.6 | 0 | 0 | 0 | 113.5 | M409 R415 S417 | M409-F413 HydrophobicContact CG-CD2 3.91Å; M409-F413 HydrophobicContact CG-CE2 3.58Å; M409-F413 WeakPolarHBondContact O-CD2 3.14Å; M409-F413 PolarHBondContact O-N 2.65Å; M409-F413 VanDerWaalsContact O-N 3.1Å; M409-F413 HydrophobicContact SD-CE2 4.26Å; F413-R415 VanDerWaalsContact C-N 3.33Å; F413-R415 PolarHBondContact O-N 3.11Å; F413-S417 PolarHBondContact O-OG 3.17Å |
| 414 | S | 48.7 | Very low | 49.3 | Very low | 79 Ų | 79 | 109.2 Ų | 109.2 | 55% | 0.552 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -72.9 | -23.4 | 174.9 | 69.3 | 0 | 0 | 0 | 0 | 113.6 | L410 T411 M412 | L410-S414 PolarHBondContact O-N 2.77Å; T411-S414 PolarHBondContact O-OG 3.3Å; T411-S414 VanDerWaalsContact O-OG 3.13Å; M412-S414 VanDerWaalsContact C-N 3.32Å; M412-S414 PolarHBondContact O-N 2.93Å |
| 415 | R | 46 | Very low | 47.5 | Very low | 210 Ų | 210 | 114.1 Ų | 114.1 | 79% | 0.792 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -85.3 | -18.9 | 177.2 | -80.2 | -173.6 | 172.2 | -177.5 | -1.6 | 114.4 | M412 F413 | M412-R415 PolarHBondContact O-N 3.07Å; F413-R415 VanDerWaalsContact C-N 3.33Å; F413-R415 PolarHBondContact O-N 3.11Å |
| 416 | V | 48.4 | Very low | 46.2 | Very low | 108 Ų | 108 | 114.5 Ų | 114.5 | 66% | 0.655 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -83.8 | -14.7 | 179.2 | -179.5 | 0 | 0 | 0 | 0 | 112.1 | M412 | M412-V416 WeakPolarHBondContact O-CG2 3.49Å; M412-V416 PolarHBondContact O-N 2.86Å |
| 417 | S | 47.5 | Very low | 45.2 | Very low | 102 Ų | 102 | 112.4 Ų | 112.4 | 71% | 0.713 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 5.4 | -175.8 | -54.9 | 0 | 0 | 0 | 0 | 115.3 | F413 | F413-S417 PolarHBondContact O-OG 3.17Š|
| 418 | T | 45.3 | Very low | 44.6 | Very low | 123 Ų | 123 | 117.6 Ų | 117.6 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.1 | 21.8 | 178.7 | 60.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 419 | A | 40.4 | Very low | 44.6 | Very low | 97 Ų | 97 | 124.1 Ų | 124.1 | 80% | 0.802 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -124 | 69 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 420 | G | 37.3 | Very low | 44.6 | Very low | 54 Ų | 54 | 124.8 Ų | 124.8 | 56% | 0.557 | 73% | 0.728 | S | S | * | * | trans | -173.9 | 124.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 421 | T | 39.8 | Very low | 44.6 | Very low | 224 Ų | 224 | 123.8 Ų | 123.8 | 100% | 1.374 | 73% | 0.73 | S | S | * | * | trans | 76.1 | 0 | -167.5 | 75.2 | 0 | 0 | 0 | 0 | 114.3 |
Retrieved 421 of 421 residues in 130.7 ms
(Link to these results)