| 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 | G | 80.4 | Confident | 86.6 | Confident | 76 Ų | 76 | 119.4 Ų | 119.4 | 78% | 0.784 | 74% | 0.736 | S | S | * | * | 0 | -178.7 | 0 | 0 | 0 | 0 | 0 | 0 | 110.3 | G224 | G1-G224 WeakPolarHBondContact CA-O 3.41Å; G1-G224 PolarHBondContact N-O 3.25Å | |||
| 2 | G | 88 | Confident | 87 | Confident | 70 Ų | 70 | 120.3 Ų | 120.3 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | trans | 69.3 | -171.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 3 | T | 87.6 | Confident | 87.4 | Confident | 89 Ų | 89 | 115.9 Ų | 115.9 | 55% | 0.546 | 69% | 0.691 | S | S | . | * | trans | -100.8 | 115.6 | 178.7 | -55.3 | 0 | 0 | 0 | 0 | 109.9 | I5 G6 | T3-I5 VanDerWaalsContact C-N 3.25Å; T3-I5 HydrophobicContact CG2-CD1 4.41Å; T3-I5 HydrophobicContact CG2-CG1 3.45Å; T3-I5 VanDerWaalsContact CG2-CG1 3.45Å; T3-I5 PolarHBondContact O-N 3.16Å; T3-G6 WeakPolarHBondContact CG2-O 3.08Å; T3-G6 PolarHBondContact O-N 3.34Å | ||
| 4 | V | 88.9 | Confident | 87.4 | Confident | 151 Ų | 151 | 122.8 Ų | 122.8 | 92% | 0.915 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -31.5 | -178.3 | 179.6 | 0 | 0 | 0 | 0 | 112.2 | G6 | V4-G6 PolarHBondContact O-N 2.91Š|
| 5 | I | 90.5 | Very high | 87.7 | Confident | 167 Ų | 167 | 118 Ų | 118 | 86% | 0.856 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 4.2 | 175.3 | 63.7 | 171.8 | 0 | 0 | 0 | 113.6 | T3 | T3-I5 VanDerWaalsContact C-N 3.25Å; T3-I5 HydrophobicContact CG2-CD1 4.41Å; T3-I5 HydrophobicContact CG2-CG1 3.45Å; T3-I5 VanDerWaalsContact CG2-CG1 3.45Å; T3-I5 PolarHBondContact O-N 3.16Å |
| 6 | G | 88.9 | Confident | 88 | Confident | 46 Ų | 46 | 115.7 Ų | 115.7 | 47% | 0.474 | 66% | 0.658 | S | S | . | * | trans | 76.3 | 167.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | T3 V4 | T3-G6 WeakPolarHBondContact CG2-O 3.08Å; T3-G6 PolarHBondContact O-N 3.34Å; V4-G6 PolarHBondContact O-N 2.91Å | ||
| 7 | S | 86.9 | Confident | 88.4 | Confident | 114 Ų | 114 | 117.9 Ų | 117.9 | 80% | 0.797 | 66% | 0.661 | S | S | * | * | trans | -153.5 | 130 | 168.7 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 8 | A | 83.5 | Confident | 88.7 | Confident | 91 Ų | 91 | 112 Ų | 112 | 75% | 0.752 | 63% | 0.631 | S | S | * | * | trans | -138.8 | 148.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | C10 | A8-C10 PolarHBondContact O-N 3.39Š| ||
| 9 | R | 83.4 | Confident | 89 | Confident | 252 Ų | 252 | 107.4 Ų | 107.4 | 95% | 0.951 | 60% | 0.603 | S | S | * | * | trans | -68.8 | 114.9 | 171.5 | -70.9 | -176 | -179 | 177.1 | 0.4 | 109 | ||||
| 10 | C | 87.1 | Confident | 89.4 | Confident | 77 Ų | 77 | 102.7 Ų | 102.7 | 52% | 0.52 | 58% | 0.576 | S | S | . | * | trans | -96.1 | 100.6 | 178.1 | -164.5 | 0 | 0 | 0 | 0 | 110.8 | A8 F13 | A8-C10 PolarHBondContact O-N 3.39Å; C10-F13 HydrophobicContact CB-CB 3.98Å; C10-F13 VanDerWaalsContact SG-CB 3.52Å; C10-F13 PolarHBondContact SG-N 3.01Å | ||
| 11 | K | 87.8 | Confident | 89.7 | Confident | 180 Ų | 180 | 103.9 Ų | 103.9 | 78% | 0.783 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -71.8 | -38.8 | 174.5 | -71.4 | -176.1 | 179.9 | 179.7 | 0 | 111.6 | F13 R14 | K11-F13 VanDerWaalsContact C-N 3.32Å; K11-F13 PolarHBondContact O-N 2.94Å; K11-R14 VanDerWaalsContact O-CB 3.32Å; K11-R14 WeakPolarHBondContact O-CB 3.48Å; K11-R14 PolarHBondContact O-N 2.96Å; K11-R14 VanDerWaalsContact O-N 3.14Å |
| 12 | E | 90.9 | Very high | 90.4 | Very high | 131 Ų | 131 | 101.3 Ų | 101.3 | 61% | 0.612 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -60.8 | -39.1 | -179.5 | -68.7 | 177 | -161.5 | 0 | 0 | 112 | R14 S15 G18 | E12-R14 PolarHBondContact O-N 3.03Å; E12-S15 PolarHBondContact O-N 2.92Å; E12-S15 PolarHBondContact O-OG 3.47Å; E12-G18 WeakPolarHBondContact O-CA 3.31Å |
| 13 | F | 91.8 | Very high | 90.8 | Very high | 63 Ų | 63 | 98 Ų | 98 | 28% | 0.276 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -65.3 | -11.5 | 179.3 | -160.7 | -101.9 | 0 | 0 | 0 | 114 | C10 K11 S15 R19 A22 F49 | C10-F13 HydrophobicContact CB-CB 3.98Å; C10-F13 VanDerWaalsContact SG-CB 3.52Å; C10-F13 PolarHBondContact SG-N 3.01Å; K11-F13 VanDerWaalsContact C-N 3.32Å; K11-F13 PolarHBondContact O-N 2.94Å; F13-S15 VanDerWaalsContact C-N 3.32Å; F13-R19 HydrophobicContact CD1-CG 4.27Å; F13-R19 HydrophobicContact CD2-CG 4Å; F13-R19 HydrophobicContact CE1-CG 4.18Å; F13-R19 HydrophobicContact CE2-CB 4.48Å; F13-R19 HydrophobicContact CE2-CG 3.91Å; F13-R19 HydrophobicContact CG-CG 4.19Å; F13-R19 HydrophobicContact CZ-CG 4.01Å; F13-R19 VanDerWaalsContact O-CG 3.3Å; F13-R19 WeakPolarHBondContact O-CG 3.2Å; F13-R19 PolarHBondContact O-NH1 3.4Å; F13-A22 HydrophobicContact CD2-CB 4.14Å; F13-A22 HydrophobicContact CE2-CB 3.64Å; F13-F49 HydrophobicContact CE1-CB 4.41Å; F13-F49 HydrophobicContact CE2-CD2 4.25Å; F13-F49 HydrophobicContact CE2-CE2 4.25Å; F13-F49 HydrophobicContact CE2-CZ 4.5Å; F13-F49 HydrophobicContact CZ-CB 4.02Å; F13-F49 HydrophobicContact CZ-CD1 4.1Å; F13-F49 AromaticContact CZ-CD2 3.79Å; F13-F49 HydrophobicContact CZ-CD2 3.79Å; F13-F49 HydrophobicContact CZ-CE2 4.22Å; F13-F49 AromaticContact CZ-CG 3.71Å; F13-F49 HydrophobicContact CZ-CG 3.71Å |
| 14 | R | 88.1 | Confident | 91.2 | Very high | 212 Ų | 212 | 95.2 Ų | 95.2 | 80% | 0.8 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -73.7 | -24.7 | 170.9 | -62 | -175.3 | 173.1 | -165.5 | -5.5 | 112.4 | K11 E12 R19 | K11-R14 VanDerWaalsContact O-CB 3.32Å; K11-R14 WeakPolarHBondContact O-CB 3.48Å; K11-R14 PolarHBondContact O-N 2.96Å; K11-R14 VanDerWaalsContact O-N 3.14Å; E12-R14 PolarHBondContact O-N 3.03Å; R14-R19 VanDerWaalsContact C-NH1 3.28Å; R14-R19 PolarHBondContact O-NH1 3.2Å |
| 15 | S | 92.1 | Very high | 91.5 | Very high | 51 Ų | 51 | 91.4 Ų | 91.4 | 36% | 0.357 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -85.7 | 153.3 | 174.5 | 73.7 | 0 | 0 | 0 | 0 | 111.1 | E12 F13 E17 G18 R19 | E12-S15 PolarHBondContact O-N 2.92Å; E12-S15 PolarHBondContact O-OG 3.47Å; F13-S15 VanDerWaalsContact C-N 3.32Å; S15-E17 VanDerWaalsContact C-N 3.3Å; S15-E17 PolarHBondContact O-N 2.99Å; S15-G18 PolarHBondContact O-N 3.3Å; S15-G18 PolarHBondContact OG-N 3.24Å; S15-R19 PolarHBondContact O-N 3.31Å; S15-R19 PolarHBondContact O-NH1 2.91Å |
| 16 | H | 92.6 | Very high | 91.8 | Very high | 81 Ų | 81 | 84.7 Ų | 84.7 | 38% | 0.375 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -56.8 | -45 | 173.3 | -174.5 | 72.4 | 0 | 0 | 0 | 111.7 | G18 R19 L20 L56 E59 | H16-G18 VanDerWaalsContact C-N 3.33Å; H16-G18 PolarHBondContact O-N 3.1Å; H16-R19 CarbonylContact O-C 3.59Å; H16-R19 WeakPolarHBondContact O-CB 3.5Å; H16-R19 PolarHBondContact O-N 2.9Å; H16-L20 PolarHBondContact O-N 3.49Å; H16-L56 WeakPolarHBondContact CE1-CD2 3.37Å; H16-E59 IonicContact CD2-OE2 2.6Å; H16-E59 IonicContact CE1-OE2 3.3Å; H16-E59 IonicContact NE2-OE1 2.69Å; H16-E59 IonicContact NE2-OE2 3.51Å; H16-E59 PolarHBondContact NE2-OE2 2.92Å |
| 17 | E | 93.4 | Very high | 92.1 | Very high | 153 Ų | 153 | 82.9 Ų | 82.9 | 72% | 0.715 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -57.7 | -41.9 | 177.4 | -172.8 | -174.3 | 175.5 | 0 | 0 | 112.8 | S15 R19 L20 K21 | S15-E17 VanDerWaalsContact C-N 3.3Å; S15-E17 PolarHBondContact O-N 2.99Å; E17-R19 VanDerWaalsContact C-N 3.31Å; E17-R19 PolarHBondContact O-N 3.3Å; E17-L20 PolarHBondContact O-N 2.94Å; E17-K21 WeakPolarHBondContact O-CB 3.48Å; E17-K21 PolarHBondContact O-N 2.68Å |
| 18 | G | 94.1 | Very high | 92.4 | Very high | 12 Ų | 12 | 83.6 Ų | 83.6 | 12% | 0.124 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.7 | -35.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E12 S15 H16 A22 | E12-G18 WeakPolarHBondContact O-CA 3.31Å; S15-G18 PolarHBondContact O-N 3.3Å; S15-G18 PolarHBondContact OG-N 3.24Å; H16-G18 VanDerWaalsContact C-N 3.33Å; H16-G18 PolarHBondContact O-N 3.1Å; G18-A22 PolarHBondContact O-N 2.96Å; G18-A22 VanDerWaalsContact O-N 3.15Å |
| 19 | R | 95.2 | Very high | 93 | Very high | 25 Ų | 25 | 88.9 Ų | 88.9 | 9% | 0.094 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -72.6 | -41.9 | 174.9 | -66.3 | -169.3 | -62.6 | -91.1 | 14 | 111.8 | F13 R14 S15 H16 E17 K21 A22 A23 F49 E52 L56 | F13-R19 HydrophobicContact CD1-CG 4.27Å; F13-R19 HydrophobicContact CD2-CG 4Å; F13-R19 HydrophobicContact CE1-CG 4.18Å; F13-R19 HydrophobicContact CE2-CB 4.48Å; F13-R19 HydrophobicContact CE2-CG 3.91Å; F13-R19 HydrophobicContact CG-CG 4.19Å; F13-R19 HydrophobicContact CZ-CG 4.01Å; F13-R19 VanDerWaalsContact O-CG 3.3Å; F13-R19 WeakPolarHBondContact O-CG 3.2Å; F13-R19 PolarHBondContact O-NH1 3.4Å; R14-R19 VanDerWaalsContact C-NH1 3.28Å; R14-R19 PolarHBondContact O-NH1 3.2Å; S15-R19 PolarHBondContact O-N 3.31Å; S15-R19 PolarHBondContact O-NH1 2.91Å; H16-R19 CarbonylContact O-C 3.59Å; H16-R19 WeakPolarHBondContact O-CB 3.5Å; H16-R19 PolarHBondContact O-N 2.9Å; E17-R19 VanDerWaalsContact C-N 3.31Å; E17-R19 PolarHBondContact O-N 3.3Å; R19-K21 VanDerWaalsContact C-N 3.32Å; R19-K21 PolarHBondContact O-N 3.47Å; R19-A22 WeakPolarHBondContact O-CA 3.38Å; R19-A22 WeakPolarHBondContact O-CB 3.33Å; R19-A22 PolarHBondContact O-N 2.91Å; R19-A23 PolarHBondContact O-N 2.83Å; R19-F49 HydrophobicContact CB-CD2 3.94Å; R19-F49 HydrophobicContact CB-CE2 3.94Å; R19-F49 HydrophobicContact CG-CD2 4.16Å; R19-F49 WeakPolarHBondContact O-CE2 3.41Å; R19-E52 IonicContact CZ-OE1 3.52Å; R19-E52 IonicContact CZ-OE2 3.48Å; R19-E52 VanDerWaalsContact CZ-OE2 3.29Å; R19-E52 IonicContact NE-OE1 3.48Å; R19-E52 IonicContact NE-OE2 3.9Å; R19-E52 PolarHBondContact NE-OE2 2.58Å; R19-E52 IonicContact NH2-OE1 2.78Å; R19-E52 PolarHBondContact NH2-OE1 3.05Å; R19-E52 IonicContact NH2-OE2 3.97Å; R19-E52 PolarHBondContact NH2-OE2 3.18Å; R19-L56 HydrophobicContact CB-CD1 4.23Å |
| 20 | L | 95.9 | Very high | 93.5 | Very high | 12 Ų | 12 | 78.8 Ų | 78.8 | 6% | 0.063 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56.4 | -46 | 173.8 | -169.8 | 74.2 | 0 | 0 | 0 | 111.4 | H16 E17 A22 A23 H24 L56 E59 L60 | H16-L20 PolarHBondContact O-N 3.49Å; E17-L20 PolarHBondContact O-N 2.94Å; L20-A22 VanDerWaalsContact C-N 3.32Å; L20-A22 PolarHBondContact O-N 2.78Å; L20-A23 PolarHBondContact O-N 3.42Å; L20-H24 PolarHBondContact O-N 2.95Å; L20-L56 HydrophobicContact CB-CD2 4.11Å; L20-L56 HydrophobicContact CD1-CB 4.2Å; L20-L56 HydrophobicContact CD1-CD2 3.86Å; L20-L56 WeakPolarHBondContact CD1-O 3.4Å; L20-E59 HydrophobicContact CD1-CB 3.95Å; L20-E59 HydrophobicContact CD1-CG 4Å; L20-E59 HydrophobicContact CD2-CG 4.18Å; L20-E59 WeakPolarHBondContact CD2-OE1 3.4Å; L20-L60 HydrophobicContact CD1-CD2 3.82Å; L20-L60 HydrophobicContact CD1-CG 3.72Å; L20-L60 HydrophobicContact CD2-CD2 4.38Å; L20-L60 HydrophobicContact CG-CD2 3.77Å; L20-L60 HydrophobicContact CG-CG 4.25Å |
| 21 | K | 95.9 | Very high | 93.8 | Very high | 128 Ų | 128 | 77.9 Ų | 77.9 | 56% | 0.557 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61 | -39.5 | 174.6 | -174.8 | 178 | -179 | -179.9 | 0 | 112.5 | E17 R19 N25 | E17-K21 WeakPolarHBondContact O-CB 3.48Å; E17-K21 PolarHBondContact O-N 2.68Å; R19-K21 VanDerWaalsContact C-N 3.32Å; R19-K21 PolarHBondContact O-N 3.47Å; K21-N25 VanDerWaalsContact O-CG 3.23Å; K21-N25 PolarHBondContact O-N 3.31Å; K21-N25 PolarHBondContact O-ND2 3.24Å; K21-N25 VanDerWaalsContact O-ND2 3.14Å |
| 22 | A | 95.5 | Very high | 94 | Very high | 23 Ų | 23 | 70.5 Ų | 70.5 | 19% | 0.19 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.9 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F13 G18 R19 L20 H24 N25 L26 F49 | F13-A22 HydrophobicContact CD2-CB 4.14Å; F13-A22 HydrophobicContact CE2-CB 3.64Å; G18-A22 PolarHBondContact O-N 2.96Å; G18-A22 VanDerWaalsContact O-N 3.15Å; R19-A22 WeakPolarHBondContact O-CA 3.38Å; R19-A22 WeakPolarHBondContact O-CB 3.33Å; R19-A22 PolarHBondContact O-N 2.91Å; L20-A22 VanDerWaalsContact C-N 3.32Å; L20-A22 PolarHBondContact O-N 2.78Å; A22-H24 PolarHBondContact O-N 3.2Å; A22-N25 PolarHBondContact O-N 3.47Å; A22-L26 WeakPolarHBondContact O-CG 3.39Å; A22-L26 PolarHBondContact O-N 3.42Å; A22-L26 VanDerWaalsContact O-N 3.08Å; A22-F49 HydrophobicContact CB-CE2 4.36Å; A22-F49 HydrophobicContact CB-CZ 4.01Å |
| 23 | A | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R19 L20 N25 L26 V27 F49 W53 L56 L60 | R19-A23 PolarHBondContact O-N 2.83Å; L20-A23 PolarHBondContact O-N 3.42Å; A23-N25 VanDerWaalsContact C-N 3.34Å; A23-N25 PolarHBondContact O-N 3.47Å; A23-L26 PolarHBondContact O-N 2.9Å; A23-L26 VanDerWaalsContact O-N 3.14Å; A23-V27 WeakPolarHBondContact O-CG2 3.39Å; A23-V27 PolarHBondContact O-N 2.92Å; A23-F49 HydrophobicContact CB-CE2 4.23Å; A23-F49 HydrophobicContact CB-CZ 4.07Å; A23-W53 HydrophobicContact CB-CE3 4.13Å; A23-W53 HydrophobicContact CB-CH2 4.07Å; A23-W53 HydrophobicContact CB-CZ3 3.55Å; A23-L56 HydrophobicContact CB-CB 4.16Å; A23-L56 HydrophobicContact CB-CD1 4.22Å; A23-L60 HydrophobicContact CB-CD1 4.15Å |
| 24 | H | 95.9 | Very high | 94.3 | Very high | 30 Ų | 30 | 68.6 Ų | 68.6 | 14% | 0.139 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55 | -47.6 | 174.8 | 179.6 | -122.7 | 0 | 0 | 0 | 112.3 | L20 A22 L26 V27 Q28 L60 | L20-H24 PolarHBondContact O-N 2.95Å; A22-H24 PolarHBondContact O-N 3.2Å; H24-L26 VanDerWaalsContact C-N 3.31Å; H24-L26 PolarHBondContact O-N 2.84Å; H24-V27 PolarHBondContact O-N 3.32Å; H24-Q28 PolarHBondContact CE1-NE2 3.07Å; H24-Q28 PolarHBondContact NE2-NE2 2.68Å; H24-Q28 WeakPolarHBondContact O-CB 3.43Å; H24-Q28 WeakPolarHBondContact O-CG 3.44Å; H24-Q28 PolarHBondContact O-N 2.94Å; H24-L60 HydrophobicContact CB-CD1 3.99Å; H24-L60 HydrophobicContact CB-CD2 3.86Å |
| 25 | N | 96.4 | Very high | 94.6 | Very high | 72 Ų | 72 | 61.1 Ų | 61.1 | 39% | 0.385 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.2 | -34.6 | 179.1 | -67.9 | -29.3 | 0 | 0 | 0 | 113.4 | K21 A22 A23 R29 | K21-N25 VanDerWaalsContact O-CG 3.23Å; K21-N25 PolarHBondContact O-N 3.31Å; K21-N25 PolarHBondContact O-ND2 3.24Å; K21-N25 VanDerWaalsContact O-ND2 3.14Å; A22-N25 PolarHBondContact O-N 3.47Å; A23-N25 VanDerWaalsContact C-N 3.34Å; A23-N25 PolarHBondContact O-N 3.47Å; N25-R29 WeakPolarHBondContact O-CG 3.47Å; N25-R29 PolarHBondContact O-N 3.46Å |
| 26 | L | 96.1 | Very high | 94.7 | Very high | 25 Ų | 25 | 60 Ų | 60 | 13% | 0.131 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.1 | -46 | 177.7 | -70 | 177.5 | 0 | 0 | 0 | 110.9 | A22 A23 H24 Q28 R29 G30 I31 F49 W53 L77 | A22-L26 WeakPolarHBondContact O-CG 3.39Å; A22-L26 PolarHBondContact O-N 3.42Å; A22-L26 VanDerWaalsContact O-N 3.08Å; A23-L26 PolarHBondContact O-N 2.9Å; A23-L26 VanDerWaalsContact O-N 3.14Å; H24-L26 VanDerWaalsContact C-N 3.31Å; H24-L26 PolarHBondContact O-N 2.84Å; L26-Q28 PolarHBondContact O-N 3.1Å; L26-R29 CarbonylContact O-C 3.6Å; L26-R29 PolarHBondContact O-N 2.87Å; L26-R29 VanDerWaalsContact O-N 3.1Å; L26-G30 PolarHBondContact O-N 3.38Å; L26-G30 VanDerWaalsContact O-N 3.09Å; L26-I31 HydrophobicContact CB-CB 4.33Å; L26-I31 HydrophobicContact CD2-CB 3.88Å; L26-I31 HydrophobicContact CD2-CD1 4.07Å; L26-I31 HydrophobicContact CD2-CG2 3.79Å; L26-I31 PolarHBondContact O-N 3.48Å; L26-F49 HydrophobicContact CD1-CE1 3.75Å; L26-F49 HydrophobicContact CD1-CZ 4.18Å; L26-W53 HydrophobicContact CB-CH2 3.99Å; L26-W53 HydrophobicContact CD1-CH2 4.04Å; L26-W53 HydrophobicContact CD1-CZ3 4.01Å; L26-L77 HydrophobicContact CD1-CD1 4.43Å |
| 27 | V | 94.6 | Very high | 94.8 | Very high | 8 Ų | 8 | 61.2 Ų | 61.2 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 177.2 | 175.7 | 0 | 0 | 0 | 0 | 111 | A23 H24 R29 G30 W53 L57 I66 A70 H74 | A23-V27 WeakPolarHBondContact O-CG2 3.39Å; A23-V27 PolarHBondContact O-N 2.92Å; H24-V27 PolarHBondContact O-N 3.32Å; V27-R29 PolarHBondContact O-N 3.15Å; V27-G30 PolarHBondContact O-N 2.77Å; V27-W53 HydrophobicContact CG2-CH2 4.2Å; V27-W53 HydrophobicContact CG2-CZ2 4.03Å; V27-L57 HydrophobicContact CG2-CD2 3.59Å; V27-I66 HydrophobicContact CG1-CG2 4.08Å; V27-A70 HydrophobicContact CG1-CB 4.02Å; V27-H74 HydrophobicContact CG2-CB 4.27Å |
| 28 | Q | 94.2 | Very high | 94.7 | Very high | 129 Ų | 129 | 54.4 Ų | 54.4 | 60% | 0.603 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -57.1 | -24.9 | 176.2 | -78.1 | -169.3 | -19.8 | 0 | 0 | 114 | H24 L26 | H24-Q28 PolarHBondContact CE1-NE2 3.07Å; H24-Q28 PolarHBondContact NE2-NE2 2.68Å; H24-Q28 WeakPolarHBondContact O-CB 3.43Å; H24-Q28 WeakPolarHBondContact O-CG 3.44Å; H24-Q28 PolarHBondContact O-N 2.94Å; L26-Q28 PolarHBondContact O-N 3.1Å |
| 29 | R | 95.4 | Very high | 94.3 | Very high | 202 Ų | 202 | 54.9 Ų | 54.9 | 76% | 0.762 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 1.1 | -179.2 | -68.6 | 176.5 | 173.7 | -125.2 | -1.5 | 113.2 | N25 L26 V27 I31 | N25-R29 WeakPolarHBondContact O-CG 3.47Å; N25-R29 PolarHBondContact O-N 3.46Å; L26-R29 CarbonylContact O-C 3.6Å; L26-R29 PolarHBondContact O-N 2.87Å; L26-R29 VanDerWaalsContact O-N 3.1Å; V27-R29 PolarHBondContact O-N 3.15Å; R29-I31 VanDerWaalsContact C-N 3.35Å; R29-I31 HydrophobicContact CB-CD1 3.72Å; R29-I31 HydrophobicContact CB-CG1 3.84Å |
| 30 | G | 93.8 | Very high | 93.7 | Very high | 41 Ų | 41 | 55.2 Ų | 55.2 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 33.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L26 V27 H74 | L26-G30 PolarHBondContact O-N 3.38Å; L26-G30 VanDerWaalsContact O-N 3.09Å; V27-G30 PolarHBondContact O-N 2.77Å; G30-H74 VanDerWaalsContact CA-NE2 3.32Å; G30-H74 WeakPolarHBondContact CA-NE2 3.34Å |
| 31 | I | 94.7 | Very high | 93.2 | Very high | 58 Ų | 58 | 57.5 Ų | 57.5 | 30% | 0.297 | 31% | 0.312 | S | S | . | . | trans | -98.7 | 110.1 | -176.7 | -57.8 | 171.5 | 0 | 0 | 0 | 110 | L26 R29 | L26-I31 HydrophobicContact CB-CB 4.33Å; L26-I31 HydrophobicContact CD2-CB 3.88Å; L26-I31 HydrophobicContact CD2-CD1 4.07Å; L26-I31 HydrophobicContact CD2-CG2 3.79Å; L26-I31 PolarHBondContact O-N 3.48Å; R29-I31 VanDerWaalsContact C-N 3.35Å; R29-I31 HydrophobicContact CB-CD1 3.72Å; R29-I31 HydrophobicContact CB-CG1 3.84Å | ||
| 32 | T | 91.8 | Very high | 92.9 | Very high | 24 Ų | 24 | 54.5 Ų | 54.5 | 15% | 0.147 | 31% | 0.307 | C | S | . | . | trans | -116.2 | -7.1 | 175.8 | 46.5 | 0 | 0 | 0 | 0 | 113.6 | H74 Q76 H78 | T32-H74 HydrophobicContact CG2-CB 3.71Å; T32-Q76 WeakPolarHBondContact CB-O 3.28Å; T32-Q76 WeakPolarHBondContact CG2-O 3.46Å; T32-H78 PolarHBondContact O-N 3.24Å | ||
| 33 | Y | 94.1 | Very high | 92.6 | Very high | 110 Ų | 110 | 53.4 Ų | 53.4 | 43% | 0.431 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 119 | 177 | -62 | -82.4 | 0 | 0 | 0 | 109.4 | H78 L245 | Y33-H78 HydrophobicContact CD1-CB 3.61Å; Y33-H78 AromaticContact CD1-CD2 3.88Å; Y33-H78 HydrophobicContact CE1-CB 3.92Å; Y33-H78 AromaticContact CE1-CD2 3.39Å; Y33-H78 WeakPolarHBondContact CE1-CD2 3.34Å; Y33-H78 AromaticContact CE1-CG 3.78Å; Y33-H78 AromaticContact CZ-CD2 3.94Å; Y33-L245 HydrophobicContact CD1-CB 3.9Å; Y33-L245 HydrophobicContact CD1-CD2 4.07Å; Y33-L245 WeakPolarHBondContact CD1-O 3.36Å; Y33-L245 WeakPolarHBondContact CE1-O 3.34Å |
| 34 | L | 94.3 | Very high | 92.2 | Very high | 45 Ų | 45 | 55.6 Ų | 55.6 | 24% | 0.236 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 114.2 | -175.8 | -173.9 | 67.1 | 0 | 0 | 0 | 110.8 | V36 L77 H78 I79 V80 | L34-V36 HydrophobicContact CD2-CG2 3.97Å; L34-V36 HydrophobicContact CG-CG2 3.88Å; L34-L77 HydrophobicContact CB-CD1 4.28Å; L34-H78 PolarHBondContact N-O 3.38Å; L34-I79 HydrophobicContact CB-CG1 4.34Å; L34-I79 HydrophobicContact CD2-CD1 4.41Å; L34-I79 WeakPolarHBondContact O-CA 3.33Å; L34-V80 PolarHBondContact O-N 3.41Å; L34-V80 VanDerWaalsContact O-N 3.11Å |
| 35 | C | 95.1 | Very high | 91.9 | Very high | 54 Ų | 54 | 55.3 Ų | 55.3 | 37% | 0.365 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 120.5 | 169.5 | -176 | 0 | 0 | 0 | 0 | 109.5 | V80 L245 | C35-V80 CarbonylContact C-O 3.55Å; C35-V80 WeakPolarHBondContact CA-O 3.33Å; C35-L245 HydrophobicContact CB-CD1 4.11Å |
| 36 | V | 94.5 | Very high | 91.7 | Very high | 27 Ų | 27 | 52.3 Ų | 52.3 | 16% | 0.164 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 120.6 | 179.9 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | L34 L43 A46 V80 G81 M82 | L34-V36 HydrophobicContact CD2-CG2 3.97Å; L34-V36 HydrophobicContact CG-CG2 3.88Å; V36-L43 HydrophobicContact CB-CD2 4.33Å; V36-L43 HydrophobicContact CG1-CD2 4.2Å; V36-L43 WeakPolarHBondContact O-CD2 3.44Å; V36-A46 HydrophobicContact CB-CB 4.24Å; V36-A46 HydrophobicContact CG1-CB 4.35Å; V36-A46 HydrophobicContact CG2-CB 3.77Å; V36-V80 PolarHBondContact N-O 2.91Å; V36-G81 CarbonylContact O-C 3.55Å; V36-G81 WeakPolarHBondContact O-CA 3.31Å; V36-M82 PolarHBondContact O-N 3.17Å |
| 37 | I | 94.1 | Very high | 91.4 | Very high | 108 Ų | 108 | 51.5 Ų | 51.5 | 55% | 0.554 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 114.3 | 178.4 | -46.6 | -178.4 | 0 | 0 | 0 | 108.8 | M82 | I37-M82 WeakPolarHBondContact CA-O 3.31Å; I37-M82 HydrophobicContact CB-CB 4.46Å; I37-M82 HydrophobicContact CD1-CE 4.29Å; I37-M82 HydrophobicContact CD1-SD 4.1Å; I37-M82 HydrophobicContact CG1-CB 4.13Å; I37-M82 HydrophobicContact CG1-SD 4.17Å; I37-M82 HydrophobicContact CG2-CB 4.17Å |
| 38 | G | 90.4 | Very high | 91.2 | Very high | 10 Ų | 10 | 54.6 Ų | 54.6 | 10% | 0.103 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.8 | -170.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | M82 V83 G84 | G38-M82 PolarHBondContact N-O 3.43Å; G38-V83 WeakPolarHBondContact O-CA 3.49Å; G38-G84 CarbonylContact C-O 3.47Å; G38-G84 PolarHBondContact O-N 3.21Å |
| 39 | G | 87.1 | Confident | 91.2 | Very high | 21 Ų | 21 | 48.7 Ų | 48.7 | 22% | 0.216 | 29% | 0.285 | C | S | . | . | trans | -79.9 | 177.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | G41 S42 L43 | G39-G41 VanDerWaalsContact C-N 3.33Å; G39-G41 PolarHBondContact O-N 3.03Å; G39-S42 WeakPolarHBondContact O-CB 3.44Å; G39-S42 PolarHBondContact O-N 3.12Å; G39-L43 PolarHBondContact O-N 3.42Å | ||
| 40 | D | 82.3 | Confident | 91 | Very high | 33 Ų | 33 | 41.5 Ų | 41.5 | 18% | 0.176 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -40.9 | -55.5 | 179.1 | 168.9 | 14.7 | 0 | 0 | 0 | 113.1 | S42 L43 T44 F90 | D40-S42 PolarHBondContact O-N 3.38Å; D40-S42 VanDerWaalsContact O-N 3.1Å; D40-L43 PolarHBondContact O-N 3.42Å; D40-T44 PolarHBondContact O-N 3.24Å; D40-T44 PolarHBondContact O-OG1 3.37Å; D40-T44 PolarHBondContact OD1-OG1 2.9Å; D40-F90 HydrophobicContact CB-CD2 4.24Å |
| 41 | G | 84.3 | Confident | 90.9 | Very high | 60 Ų | 60 | 45.3 Ų | 45.3 | 62% | 0.619 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -58.4 | -31.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G39 G45 | G39-G41 VanDerWaalsContact C-N 3.33Å; G39-G41 PolarHBondContact O-N 3.03Å; G41-G45 PolarHBondContact O-N 3.32Å; G41-G45 VanDerWaalsContact O-N 3.17Å |
| 42 | S | 89.6 | Confident | 90.9 | Very high | 65 Ų | 65 | 45 Ų | 45 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -72.9 | -39 | 175.2 | -67 | 0 | 0 | 0 | 0 | 111.8 | G39 D40 A46 | G39-S42 WeakPolarHBondContact O-CB 3.44Å; G39-S42 PolarHBondContact O-N 3.12Å; D40-S42 PolarHBondContact O-N 3.38Å; D40-S42 VanDerWaalsContact O-N 3.1Å; S42-A46 WeakPolarHBondContact O-CB 3.34Å; S42-A46 PolarHBondContact O-N 3.47Å |
| 43 | L | 89.4 | Confident | 91 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.6 | -42.8 | -179.9 | -57.2 | 178.4 | 0 | 0 | 0 | 111 | V36 G39 D40 G45 A46 N47 V83 F90 V256 L269 | V36-L43 HydrophobicContact CB-CD2 4.33Å; V36-L43 HydrophobicContact CG1-CD2 4.2Å; V36-L43 WeakPolarHBondContact O-CD2 3.44Å; G39-L43 PolarHBondContact O-N 3.42Å; D40-L43 PolarHBondContact O-N 3.42Å; L43-G45 VanDerWaalsContact C-N 3.34Å; L43-G45 PolarHBondContact O-N 3.32Å; L43-A46 WeakPolarHBondContact O-CB 3.22Å; L43-A46 PolarHBondContact O-N 3.13Å; L43-A46 VanDerWaalsContact O-N 3.13Å; L43-N47 PolarHBondContact O-N 2.95Å; L43-V83 HydrophobicContact CD1-CG2 4.02Å; L43-F90 HydrophobicContact CD1-CE2 3.94Å; L43-F90 HydrophobicContact CD1-CZ 4.12Å; L43-V256 HydrophobicContact CD1-CG2 4.16Å; L43-L269 HydrophobicContact CB-CD1 3.61Å; L43-L269 HydrophobicContact CB-CD2 4.22Å; L43-L269 HydrophobicContact CB-CG 4.5Å; L43-L269 HydrophobicContact CD1-CD1 4.02Å; L43-L269 HydrophobicContact CG-CD1 4.36Å |
| 44 | T | 87.6 | Confident | 90.9 | Very high | 46 Ų | 46 | 42.4 Ų | 42.4 | 28% | 0.282 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 173.6 | -63.9 | 0 | 0 | 0 | 0 | 111.4 | D40 A46 N47 L48 V273 | D40-T44 PolarHBondContact O-N 3.24Å; D40-T44 PolarHBondContact O-OG1 3.37Å; D40-T44 PolarHBondContact OD1-OG1 2.9Å; T44-A46 VanDerWaalsContact C-N 3.29Å; T44-A46 PolarHBondContact O-N 3.35Å; T44-N47 PolarHBondContact O-N 2.95Å; T44-L48 PolarHBondContact O-N 3.47Å; T44-L48 VanDerWaalsContact O-N 3.1Å; T44-V273 VanDerWaalsContact OG1-CG1 3.32Å; T44-V273 WeakPolarHBondContact OG1-CG1 3.36Å; T44-V273 WeakPolarHBondContact OG1-CG2 3.5Å |
| 45 | G | 89.9 | Confident | 90.9 | Very high | 24 Ų | 24 | 42.1 Ų | 42.1 | 25% | 0.247 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.8 | -33.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G41 L43 F49 | G41-G45 PolarHBondContact O-N 3.32Å; G41-G45 VanDerWaalsContact O-N 3.17Å; L43-G45 VanDerWaalsContact C-N 3.34Å; L43-G45 PolarHBondContact O-N 3.32Å; G45-F49 WeakPolarHBondContact O-CB 3.35Å; G45-F49 PolarHBondContact O-N 2.95Å; G45-F49 VanDerWaalsContact O-N 3.11Å |
| 46 | A | 91.6 | Very high | 90.9 | Very high | 8 Ų | 8 | 39.6 Ų | 39.6 | 7% | 0.066 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.9 | -44.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V36 S42 L43 T44 L48 F49 R50 I79 | V36-A46 HydrophobicContact CB-CB 4.24Å; V36-A46 HydrophobicContact CG1-CB 4.35Å; V36-A46 HydrophobicContact CG2-CB 3.77Å; S42-A46 WeakPolarHBondContact O-CB 3.34Å; S42-A46 PolarHBondContact O-N 3.47Å; L43-A46 WeakPolarHBondContact O-CB 3.22Å; L43-A46 PolarHBondContact O-N 3.13Å; L43-A46 VanDerWaalsContact O-N 3.13Å; T44-A46 VanDerWaalsContact C-N 3.29Å; T44-A46 PolarHBondContact O-N 3.35Å; A46-L48 PolarHBondContact O-N 3.27Å; A46-F49 WeakPolarHBondContact O-CB 3.3Å; A46-F49 PolarHBondContact O-N 3.47Å; A46-R50 PolarHBondContact O-N 3.14Å; A46-I79 HydrophobicContact CB-CD1 4.07Å; A46-I79 HydrophobicContact CB-CG2 4.05Å; A46-I79 WeakPolarHBondContact O-CD1 3.35Å |
| 47 | N | 90.1 | Very high | 90.9 | Very high | 8 Ų | 8 | 38.6 Ų | 38.6 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.2 | -46 | 177.7 | -171.1 | 67.2 | 0 | 0 | 0 | 112.1 | L43 T44 F49 R50 E51 A254 L269 M270 | L43-N47 PolarHBondContact O-N 2.95Å; T44-N47 PolarHBondContact O-N 2.95Å; N47-F49 VanDerWaalsContact C-N 3.26Å; N47-F49 PolarHBondContact O-N 2.96Å; N47-R50 WeakPolarHBondContact O-CB 3.34Å; N47-R50 PolarHBondContact O-N 3.37Å; N47-R50 VanDerWaalsContact O-N 3.09Å; N47-E51 PolarHBondContact ND2-OE1 3.01Å; N47-E51 PolarHBondContact O-N 3.18Å; N47-A254 WeakPolarHBondContact OD1-CB 3.2Å; N47-L269 HydrophobicContact CB-CD2 3.93Å; N47-M270 HydrophobicContact CB-SD 4.07Å; N47-M270 PolarHBondContact ND2-SD 3.12Å |
| 48 | L | 91 | Very high | 90.9 | Very high | 73 Ų | 73 | 37.9 Ų | 37.9 | 38% | 0.382 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.9 | -42.9 | 175.5 | -179.7 | 66.7 | 0 | 0 | 0 | 111.5 | T44 A46 R50 E51 E52 | T44-L48 PolarHBondContact O-N 3.47Å; T44-L48 VanDerWaalsContact O-N 3.1Å; A46-L48 PolarHBondContact O-N 3.27Å; L48-R50 VanDerWaalsContact C-N 3.28Å; L48-R50 PolarHBondContact O-N 2.71Å; L48-E51 PolarHBondContact O-N 3.34Å; L48-E52 HydrophobicContact CD1-CG 4.33Å; L48-E52 WeakPolarHBondContact O-CG 3.41Å; L48-E52 PolarHBondContact O-N 2.94Å |
| 49 | F | 94.3 | Very high | 91.1 | Very high | 5 Ų | 5 | 40 Ų | 40 | 2% | 0.022 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.5 | -33.7 | 178.6 | -175.3 | -123.5 | 0 | 0 | 0 | 113.1 | F13 R19 A22 A23 L26 G45 A46 N47 W53 L56 L77 | F13-F49 HydrophobicContact CE1-CB 4.41Å; F13-F49 HydrophobicContact CE2-CD2 4.25Å; F13-F49 HydrophobicContact CE2-CE2 4.25Å; F13-F49 HydrophobicContact CE2-CZ 4.5Å; F13-F49 HydrophobicContact CZ-CB 4.02Å; F13-F49 HydrophobicContact CZ-CD1 4.1Å; F13-F49 AromaticContact CZ-CD2 3.79Å; F13-F49 HydrophobicContact CZ-CD2 3.79Å; F13-F49 HydrophobicContact CZ-CE2 4.22Å; F13-F49 AromaticContact CZ-CG 3.71Å; F13-F49 HydrophobicContact CZ-CG 3.71Å; R19-F49 HydrophobicContact CB-CD2 3.94Å; R19-F49 HydrophobicContact CB-CE2 3.94Å; R19-F49 HydrophobicContact CG-CD2 4.16Å; R19-F49 WeakPolarHBondContact O-CE2 3.41Å; A22-F49 HydrophobicContact CB-CE2 4.36Å; A22-F49 HydrophobicContact CB-CZ 4.01Å; A23-F49 HydrophobicContact CB-CE2 4.23Å; A23-F49 HydrophobicContact CB-CZ 4.07Å; L26-F49 HydrophobicContact CD1-CE1 3.75Å; L26-F49 HydrophobicContact CD1-CZ 4.18Å; G45-F49 WeakPolarHBondContact O-CB 3.35Å; G45-F49 PolarHBondContact O-N 2.95Å; G45-F49 VanDerWaalsContact O-N 3.11Å; A46-F49 WeakPolarHBondContact O-CB 3.3Å; A46-F49 PolarHBondContact O-N 3.47Å; N47-F49 VanDerWaalsContact C-N 3.26Å; N47-F49 PolarHBondContact O-N 2.96Å; F49-W53 HydrophobicContact CE1-CE3 4.13Å; F49-W53 AromaticContact CE1-CZ3 3.8Å; F49-W53 HydrophobicContact CE1-CZ3 3.8Å; F49-W53 HydrophobicContact CE2-CE3 4.45Å; F49-W53 HydrophobicContact CE2-CZ3 4.4Å; F49-W53 HydrophobicContact CZ-CE3 4.01Å; F49-W53 AromaticContact CZ-CZ3 3.61Å; F49-W53 HydrophobicContact CZ-CZ3 3.61Å; F49-W53 PolarHBondContact O-N 3.5Å; F49-L56 HydrophobicContact CD2-CD1 3.86Å; F49-L56 HydrophobicContact CE2-CD1 3.61Å; F49-L77 HydrophobicContact CD1-CD2 3.62Å; F49-L77 HydrophobicContact CE1-CD2 3.77Å |
| 50 | R | 92 | Very high | 91.4 | Very high | 52 Ų | 52 | 39 Ų | 39 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.3 | -42 | 172.2 | 170.1 | 177.7 | -178.6 | -114.8 | -0.7 | 112.5 | A46 N47 L48 E52 W53 L77 I79 T252 | A46-R50 PolarHBondContact O-N 3.14Å; N47-R50 WeakPolarHBondContact O-CB 3.34Å; N47-R50 PolarHBondContact O-N 3.37Å; N47-R50 VanDerWaalsContact O-N 3.09Å; L48-R50 VanDerWaalsContact C-N 3.28Å; L48-R50 PolarHBondContact O-N 2.71Å; R50-E52 VanDerWaalsContact C-N 3.33Å; R50-W53 WeakPolarHBondContact O-CB 3.16Å; R50-W53 PolarHBondContact O-N 3.01Å; R50-L77 HydrophobicContact CB-CD2 4.47Å; R50-L77 WeakPolarHBondContact CD-O 3.36Å; R50-L77 WeakPolarHBondContact CG-O 3.4Å; R50-L77 PolarHBondContact NE-O 2.76Å; R50-I79 HydrophobicContact CB-CD1 3.57Å; R50-I79 HydrophobicContact CB-CG1 4.11Å; R50-T252 PolarHBondContact NH2-O 3.5Å |
| 51 | E | 90.9 | Very high | 92 | Very high | 121 Ų | 121 | 39.8 Ų | 39.8 | 57% | 0.565 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64.7 | -38.5 | 178.6 | -71.5 | 173.8 | -179.7 | 0 | 0 | 111.8 | N47 L48 W53 | N47-E51 PolarHBondContact ND2-OE1 3.01Å; N47-E51 PolarHBondContact O-N 3.18Å; L48-E51 PolarHBondContact O-N 3.34Å; E51-W53 VanDerWaalsContact C-N 3.28Å; E51-W53 PolarHBondContact O-N 3.46Å |
| 52 | E | 93.9 | Very high | 92.4 | Very high | 51 Ų | 51 | 44.8 Ų | 44.8 | 24% | 0.238 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -9.3 | 177.3 | -67.8 | -179.5 | -178.4 | 0 | 0 | 113.6 | R19 L48 R50 S54 G55 L56 | R19-E52 IonicContact CZ-OE1 3.52Å; R19-E52 IonicContact CZ-OE2 3.48Å; R19-E52 VanDerWaalsContact CZ-OE2 3.29Å; R19-E52 IonicContact NE-OE1 3.48Å; R19-E52 IonicContact NE-OE2 3.9Å; R19-E52 PolarHBondContact NE-OE2 2.58Å; R19-E52 IonicContact NH2-OE1 2.78Å; R19-E52 PolarHBondContact NH2-OE1 3.05Å; R19-E52 IonicContact NH2-OE2 3.97Å; R19-E52 PolarHBondContact NH2-OE2 3.18Å; L48-E52 HydrophobicContact CD1-CG 4.33Å; L48-E52 WeakPolarHBondContact O-CG 3.41Å; L48-E52 PolarHBondContact O-N 2.94Å; R50-E52 VanDerWaalsContact C-N 3.33Å; E52-S54 PolarHBondContact O-N 3.17Å; E52-G55 PolarHBondContact O-N 3.04Å; E52-G55 VanDerWaalsContact O-N 3.09Å; E52-L56 HydrophobicContact CB-CD1 4.18Å; E52-L56 HydrophobicContact CB-CG 4.3Å; E52-L56 WeakPolarHBondContact O-CG 3.33Å; E52-L56 PolarHBondContact O-N 3.28Å |
| 53 | W | 94.5 | Very high | 92.6 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 2% | 0.019 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -53.8 | -48.7 | -167.6 | -174.4 | -108.1 | 0 | 0 | 0 | 114.1 | A23 L26 V27 F49 R50 E51 G55 L56 L57 H74 L77 | A23-W53 HydrophobicContact CB-CE3 4.13Å; A23-W53 HydrophobicContact CB-CH2 4.07Å; A23-W53 HydrophobicContact CB-CZ3 3.55Å; L26-W53 HydrophobicContact CB-CH2 3.99Å; L26-W53 HydrophobicContact CD1-CH2 4.04Å; L26-W53 HydrophobicContact CD1-CZ3 4.01Å; V27-W53 HydrophobicContact CG2-CH2 4.2Å; V27-W53 HydrophobicContact CG2-CZ2 4.03Å; F49-W53 HydrophobicContact CE1-CE3 4.13Å; F49-W53 AromaticContact CE1-CZ3 3.8Å; F49-W53 HydrophobicContact CE1-CZ3 3.8Å; F49-W53 HydrophobicContact CE2-CE3 4.45Å; F49-W53 HydrophobicContact CE2-CZ3 4.4Å; F49-W53 HydrophobicContact CZ-CE3 4.01Å; F49-W53 AromaticContact CZ-CZ3 3.61Å; F49-W53 HydrophobicContact CZ-CZ3 3.61Å; F49-W53 PolarHBondContact O-N 3.5Å; R50-W53 WeakPolarHBondContact O-CB 3.16Å; R50-W53 PolarHBondContact O-N 3.01Å; E51-W53 VanDerWaalsContact C-N 3.28Å; E51-W53 PolarHBondContact O-N 3.46Å; W53-G55 VanDerWaalsContact C-N 3.34Å; W53-G55 PolarHBondContact O-N 2.93Å; W53-L56 PolarHBondContact O-N 2.91Å; W53-L57 HydrophobicContact CZ2-CD2 4.18Å; W53-L57 WeakPolarHBondContact O-CG 3.45Å; W53-L57 PolarHBondContact O-N 3.14Å; W53-H74 PolarHBondContact NE1-O 2.9Å; W53-L77 HydrophobicContact CB-CB 4.3Å; W53-L77 HydrophobicContact CD2-CB 3.64Å; W53-L77 HydrophobicContact CD2-CD2 4.1Å; W53-L77 HydrophobicContact CD2-CG 4.36Å; W53-L77 HydrophobicContact CE3-CB 4.11Å; W53-L77 HydrophobicContact CE3-CD2 3.67Å; W53-L77 HydrophobicContact CE3-CG 4.34Å; W53-L77 HydrophobicContact CG-CB 3.71Å; W53-L77 HydrophobicContact CH2-CD1 4.36Å; W53-L77 HydrophobicContact CZ2-CB 4.49Å; W53-L77 HydrophobicContact CZ2-CD1 4.49Å; W53-L77 HydrophobicContact CZ3-CD1 4.41Å; W53-L77 HydrophobicContact CZ3-CD2 4Å |
| 54 | S | 92.2 | Very high | 92.7 | Very high | 74 Ų | 74 | 49.4 Ų | 49.4 | 52% | 0.517 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.1 | -38.4 | -179 | 55.4 | 0 | 0 | 0 | 0 | 112.4 | E52 L57 N58 | E52-S54 PolarHBondContact O-N 3.17Å; S54-L57 PolarHBondContact O-N 3.1Å; S54-N58 VanDerWaalsContact O-CG 3.31Å; S54-N58 PolarHBondContact O-N 2.87Å; S54-N58 VanDerWaalsContact O-N 3.16Å; S54-N58 PolarHBondContact O-ND2 3.09Å |
| 55 | G | 93.9 | Very high | 92.9 | Very high | 39 Ų | 39 | 51.2 Ų | 51.2 | 40% | 0.402 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | E52 W53 L57 N58 E59 | E52-G55 PolarHBondContact O-N 3.04Å; E52-G55 VanDerWaalsContact O-N 3.09Å; W53-G55 VanDerWaalsContact C-N 3.34Å; W53-G55 PolarHBondContact O-N 2.93Å; G55-L57 PolarHBondContact O-N 2.83Å; G55-N58 PolarHBondContact O-N 2.9Å; G55-E59 PolarHBondContact O-N 2.89Å; G55-E59 VanDerWaalsContact O-N 3.11Å |
| 56 | L | 95.2 | Very high | 93 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 176.8 | -64.2 | 172.5 | 0 | 0 | 0 | 111.8 | H16 R19 L20 A23 F49 E52 W53 E59 L60 | H16-L56 WeakPolarHBondContact CE1-CD2 3.37Å; R19-L56 HydrophobicContact CB-CD1 4.23Å; L20-L56 HydrophobicContact CB-CD2 4.11Å; L20-L56 HydrophobicContact CD1-CB 4.2Å; L20-L56 HydrophobicContact CD1-CD2 3.86Å; L20-L56 WeakPolarHBondContact CD1-O 3.4Å; A23-L56 HydrophobicContact CB-CB 4.16Å; A23-L56 HydrophobicContact CB-CD1 4.22Å; F49-L56 HydrophobicContact CD2-CD1 3.86Å; F49-L56 HydrophobicContact CE2-CD1 3.61Å; E52-L56 HydrophobicContact CB-CD1 4.18Å; E52-L56 HydrophobicContact CB-CG 4.3Å; E52-L56 WeakPolarHBondContact O-CG 3.33Å; E52-L56 PolarHBondContact O-N 3.28Å; W53-L56 PolarHBondContact O-N 2.91Å; L56-E59 PolarHBondContact O-N 3.16Å; L56-L60 VanDerWaalsContact O-CG 3.28Å; L56-L60 WeakPolarHBondContact O-CG 3.48Å; L56-L60 PolarHBondContact O-N 3.45Å |
| 57 | L | 94.2 | Very high | 93 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 176.8 | -68.5 | -176.9 | 0 | 0 | 0 | 112.5 | V27 W53 S54 G55 E59 L60 I61 I66 H74 | V27-L57 HydrophobicContact CG2-CD2 3.59Å; W53-L57 HydrophobicContact CZ2-CD2 4.18Å; W53-L57 WeakPolarHBondContact O-CG 3.45Å; W53-L57 PolarHBondContact O-N 3.14Å; S54-L57 PolarHBondContact O-N 3.1Å; G55-L57 PolarHBondContact O-N 2.83Å; L57-E59 VanDerWaalsContact C-N 3.31Å; L57-E59 PolarHBondContact O-N 2.83Å; L57-L60 HydrophobicContact CD2-CD1 4.5Å; L57-L60 PolarHBondContact O-N 3.04Å; L57-I61 WeakPolarHBondContact O-CG1 3.12Å; L57-I61 PolarHBondContact O-N 3.13Å; L57-I66 HydrophobicContact CD2-CD1 3.94Å; L57-H74 WeakPolarHBondContact CD1-O 3.24Å |
| 58 | N | 94.2 | Very high | 93 | Very high | 94 Ų | 94 | 62.2 Ų | 62.2 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 177.1 | -68.7 | -20.8 | 0 | 0 | 0 | 111.2 | S54 G55 L60 I61 E62 | S54-N58 VanDerWaalsContact O-CG 3.31Å; S54-N58 PolarHBondContact O-N 2.87Å; S54-N58 VanDerWaalsContact O-N 3.16Å; S54-N58 PolarHBondContact O-ND2 3.09Å; G55-N58 PolarHBondContact O-N 2.9Å; N58-L60 VanDerWaalsContact C-N 3.35Å; N58-L60 PolarHBondContact O-N 2.58Å; N58-I61 WeakPolarHBondContact O-CB 3.45Å; N58-I61 PolarHBondContact O-N 2.96Å; N58-E62 WeakPolarHBondContact O-CG 3.21Å; N58-E62 PolarHBondContact O-N 3.27Å |
| 59 | E | 94.9 | Very high | 93 | Very high | 54 Ų | 54 | 66.1 Ų | 66.1 | 25% | 0.252 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.3 | -37.1 | 177.6 | -175.9 | 175.8 | 167.4 | 0 | 0 | 112.3 | H16 L20 G55 L56 L57 I61 E62 Q63 | H16-E59 IonicContact CD2-OE2 2.6Å; H16-E59 IonicContact CE1-OE2 3.3Å; H16-E59 IonicContact NE2-OE1 2.69Å; H16-E59 IonicContact NE2-OE2 3.51Å; H16-E59 PolarHBondContact NE2-OE2 2.92Å; L20-E59 HydrophobicContact CD1-CB 3.95Å; L20-E59 HydrophobicContact CD1-CG 4Å; L20-E59 HydrophobicContact CD2-CG 4.18Å; L20-E59 WeakPolarHBondContact CD2-OE1 3.4Å; G55-E59 PolarHBondContact O-N 2.89Å; G55-E59 VanDerWaalsContact O-N 3.11Å; L56-E59 PolarHBondContact O-N 3.16Å; L57-E59 VanDerWaalsContact C-N 3.31Å; L57-E59 PolarHBondContact O-N 2.83Å; E59-I61 VanDerWaalsContact C-N 3.3Å; E59-I61 PolarHBondContact O-N 3.38Å; E59-E62 PolarHBondContact O-N 2.75Å; E59-Q63 WeakPolarHBondContact O-CB 3.15Å; E59-Q63 VanDerWaalsContact O-CG 3.31Å; E59-Q63 WeakPolarHBondContact O-CG 3.4Å; E59-Q63 PolarHBondContact O-N 3.36Å; E59-Q63 PolarHBondContact OE1-NE2 2.86Å; E59-Q63 VanDerWaalsContact OE1-NE2 3.08Å |
| 60 | L | 94.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65 | -33.3 | 174.5 | -70.4 | 173.4 | 0 | 0 | 0 | 112.6 | L20 A23 H24 L56 L57 N58 G64 L65 I66 | L20-L60 HydrophobicContact CD1-CD2 3.82Å; L20-L60 HydrophobicContact CD1-CG 3.72Å; L20-L60 HydrophobicContact CD2-CD2 4.38Å; L20-L60 HydrophobicContact CG-CD2 3.77Å; L20-L60 HydrophobicContact CG-CG 4.25Å; A23-L60 HydrophobicContact CB-CD1 4.15Å; H24-L60 HydrophobicContact CB-CD1 3.99Å; H24-L60 HydrophobicContact CB-CD2 3.86Å; L56-L60 VanDerWaalsContact O-CG 3.28Å; L56-L60 WeakPolarHBondContact O-CG 3.48Å; L56-L60 PolarHBondContact O-N 3.45Å; L57-L60 HydrophobicContact CD2-CD1 4.5Å; L57-L60 PolarHBondContact O-N 3.04Å; N58-L60 VanDerWaalsContact C-N 3.35Å; N58-L60 PolarHBondContact O-N 2.58Å; L60-G64 PolarHBondContact O-N 3.27Å; L60-L65 HydrophobicContact CD2-CB 4.14Å; L60-L65 HydrophobicContact CD2-CD1 3.68Å; L60-L65 PolarHBondContact O-N 3.41Å; L60-I66 HydrophobicContact CB-CD1 3.62Å; L60-I66 HydrophobicContact CB-CG1 3.7Å; L60-I66 HydrophobicContact CB-CG2 4.4Å; L60-I66 HydrophobicContact CD1-CD1 4.15Å; L60-I66 PolarHBondContact O-N 2.86Å |
| 61 | I | 93.8 | Very high | 92.5 | Very high | 49 Ų | 49 | 64.9 Ų | 64.9 | 25% | 0.251 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.5 | -47.9 | 172.4 | -66.4 | 160.7 | 0 | 0 | 0 | 110 | L57 N58 E59 Q63 G64 I66 E68 A71 | L57-I61 WeakPolarHBondContact O-CG1 3.12Å; L57-I61 PolarHBondContact O-N 3.13Å; N58-I61 WeakPolarHBondContact O-CB 3.45Å; N58-I61 PolarHBondContact O-N 2.96Å; E59-I61 VanDerWaalsContact C-N 3.3Å; E59-I61 PolarHBondContact O-N 3.38Å; I61-Q63 PolarHBondContact O-N 2.7Å; I61-G64 WeakPolarHBondContact O-CA 3.35Å; I61-G64 PolarHBondContact O-N 2.7Å; I61-I66 HydrophobicContact CG1-CD1 4.26Å; I61-I66 HydrophobicContact CG1-CG1 3.89Å; I61-E68 HydrophobicContact CG2-CG 4.38Å; I61-A71 HydrophobicContact CD1-CB 3.46Å; I61-A71 VanDerWaalsContact CD1-CB 3.46Å; I61-A71 HydrophobicContact CG1-CB 4.01Å |
| 62 | E | 93.8 | Very high | 92.4 | Very high | 165 Ų | 165 | 69.2 Ų | 69.2 | 77% | 0.771 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.8 | -35.1 | 179.2 | -72.5 | 177.8 | -175.7 | 0 | 0 | 112.2 | N58 E59 G64 | N58-E62 WeakPolarHBondContact O-CG 3.21Å; N58-E62 PolarHBondContact O-N 3.27Å; E59-E62 PolarHBondContact O-N 2.75Å; E62-G64 VanDerWaalsContact C-N 3.26Å; E62-G64 PolarHBondContact O-N 2.96Å |
| 63 | Q | 93.6 | Very high | 92.1 | Very high | 98 Ų | 98 | 70.4 Ų | 70.4 | 46% | 0.458 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -4.5 | 175 | -67.5 | -179.6 | 21.1 | 0 | 0 | 113.8 | E59 I61 L65 | E59-Q63 WeakPolarHBondContact O-CB 3.15Å; E59-Q63 VanDerWaalsContact O-CG 3.31Å; E59-Q63 WeakPolarHBondContact O-CG 3.4Å; E59-Q63 PolarHBondContact O-N 3.36Å; E59-Q63 PolarHBondContact OE1-NE2 2.86Å; E59-Q63 VanDerWaalsContact OE1-NE2 3.08Å; I61-Q63 PolarHBondContact O-N 2.7Å; Q63-L65 HydrophobicContact CB-CD1 4.06Å; Q63-L65 HydrophobicContact CB-CG 4.01Å; Q63-L65 PolarHBondContact O-N 3.21Å |
| 64 | G | 91.2 | Very high | 92 | Very high | 63 Ų | 63 | 71.8 Ų | 71.8 | 65% | 0.649 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 21.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | L60 I61 E62 | L60-G64 PolarHBondContact O-N 3.27Å; I61-G64 WeakPolarHBondContact O-CA 3.35Å; I61-G64 PolarHBondContact O-N 2.7Å; E62-G64 VanDerWaalsContact C-N 3.26Å; E62-G64 PolarHBondContact O-N 2.96Å |
| 65 | L | 91.4 | Very high | 91.8 | Very high | 84 Ų | 84 | 70.9 Ų | 70.9 | 44% | 0.44 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -84.4 | -26.6 | -179.3 | -67.9 | 175.1 | 0 | 0 | 0 | 112.5 | L60 Q63 | L60-L65 HydrophobicContact CD2-CB 4.14Å; L60-L65 HydrophobicContact CD2-CD1 3.68Å; L60-L65 PolarHBondContact O-N 3.41Å; Q63-L65 HydrophobicContact CB-CD1 4.06Å; Q63-L65 HydrophobicContact CB-CG 4.01Å; Q63-L65 PolarHBondContact O-N 3.21Å |
| 66 | I | 92.9 | Very high | 91.5 | Very high | 20 Ų | 20 | 72.7 Ų | 72.7 | 10% | 0.103 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -135.2 | 157.8 | 173.5 | 69.3 | -179.9 | 0 | 0 | 0 | 110 | V27 L57 L60 I61 A70 A71 | V27-I66 HydrophobicContact CG1-CG2 4.08Å; L57-I66 HydrophobicContact CD2-CD1 3.94Å; L60-I66 HydrophobicContact CB-CD1 3.62Å; L60-I66 HydrophobicContact CB-CG1 3.7Å; L60-I66 HydrophobicContact CB-CG2 4.4Å; L60-I66 HydrophobicContact CD1-CD1 4.15Å; L60-I66 PolarHBondContact O-N 2.86Å; I61-I66 HydrophobicContact CG1-CD1 4.26Å; I61-I66 HydrophobicContact CG1-CG1 3.89Å; I66-A70 HydrophobicContact CB-CB 4.45Å; I66-A71 HydrophobicContact CD1-CB 4.07Å |
| 67 | D | 91.3 | Very high | 91.3 | Very high | 96 Ų | 96 | 72.8 Ų | 72.8 | 51% | 0.513 | 38% | 0.378 | S | S | . | . | trans | -90.5 | 166.4 | 172.9 | 59.7 | 20.4 | 0 | 0 | 0 | 112.3 | E69 A70 A71 | D67-E69 PolarHBondContact O-N 3.41Å; D67-A70 PolarHBondContact O-N 2.76Å; D67-A70 WeakPolarHBondContact OD1-CA 3.44Å; D67-A70 WeakPolarHBondContact OD1-CB 3.5Å; D67-A70 PolarHBondContact OD1-N 2.97Å; D67-A71 PolarHBondContact O-N 3.09Å | ||
| 68 | E | 90 | Very high | 91.2 | Very high | 156 Ų | 156 | 73.4 Ų | 73.4 | 73% | 0.729 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.1 | -28.9 | 179 | -68.3 | -176.2 | -177.5 | 0 | 0 | 112.4 | I61 R72 | I61-E68 HydrophobicContact CG2-CG 4.38Å; E68-R72 VanDerWaalsContact O-CB 3.3Å; E68-R72 WeakPolarHBondContact O-CB 3.29Å; E68-R72 PolarHBondContact O-N 2.92Å |
| 69 | E | 89.8 | Confident | 91.2 | Very high | 155 Ų | 155 | 69.3 Ų | 69.3 | 72% | 0.724 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -71.4 | -42.9 | 178.7 | -171.4 | 172.8 | 179.6 | 0 | 0 | 111.7 | D67 R72 S73 | D67-E69 PolarHBondContact O-N 3.41Å; E69-R72 PolarHBondContact O-N 2.85Å; E69-S73 WeakPolarHBondContact O-CB 3.4Å; E69-S73 PolarHBondContact O-N 2.89Å; E69-S73 PolarHBondContact O-OG 3.18Å |
| 70 | A | 87.6 | Confident | 91.2 | Very high | 21 Ų | 21 | 66.9 Ų | 66.9 | 17% | 0.174 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V27 I66 D67 R72 S73 H74 | V27-A70 HydrophobicContact CG1-CB 4.02Å; I66-A70 HydrophobicContact CB-CB 4.45Å; D67-A70 PolarHBondContact O-N 2.76Å; D67-A70 WeakPolarHBondContact OD1-CA 3.44Å; D67-A70 WeakPolarHBondContact OD1-CB 3.5Å; D67-A70 PolarHBondContact OD1-N 2.97Å; A70-R72 VanDerWaalsContact C-N 3.31Å; A70-R72 PolarHBondContact O-N 3.02Å; A70-S73 WeakPolarHBondContact CA-OG 3.47Å; A70-S73 PolarHBondContact O-N 2.81Å; A70-S73 PolarHBondContact O-OG 3.14Å; A70-S73 VanDerWaalsContact O-OG 3.07Å; A70-H74 WeakPolarHBondContact O-CB 3.26Å; A70-H74 PolarHBondContact O-N 3.04Å; A70-H74 PolarHBondContact O-ND1 2.9Å |
| 71 | A | 88.6 | Confident | 91.2 | Very high | 10 Ų | 10 | 66.8 Ų | 66.8 | 8% | 0.083 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62 | -39 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | I61 I66 D67 H74 S75 | I61-A71 HydrophobicContact CD1-CB 3.46Å; I61-A71 VanDerWaalsContact CD1-CB 3.46Å; I61-A71 HydrophobicContact CG1-CB 4.01Å; I66-A71 HydrophobicContact CD1-CB 4.07Å; D67-A71 PolarHBondContact O-N 3.09Å; A71-H74 CarbonylContact O-C 3.53Å; A71-S75 VanDerWaalsContact O-CA 3.24Å; A71-S75 WeakPolarHBondContact O-CA 3.42Å; A71-S75 PolarHBondContact O-N 3.18Å |
| 72 | R | 89 | Confident | 91.2 | Very high | 212 Ų | 212 | 64.8 Ų | 64.8 | 80% | 0.8 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -69.3 | -45.6 | 179 | -169.3 | 177.1 | -172.5 | 177.8 | 2.9 | 112.5 | E68 E69 A70 H74 S75 | E68-R72 VanDerWaalsContact O-CB 3.3Å; E68-R72 WeakPolarHBondContact O-CB 3.29Å; E68-R72 PolarHBondContact O-N 2.92Å; E69-R72 PolarHBondContact O-N 2.85Å; A70-R72 VanDerWaalsContact C-N 3.31Å; A70-R72 PolarHBondContact O-N 3.02Å; R72-H74 PolarHBondContact O-N 3.22Å; R72-S75 WeakPolarHBondContact O-CB 3.25Å; R72-S75 PolarHBondContact O-N 2.9Å; R72-S75 PolarHBondContact O-OG 2.51Å; R72-S75 VanDerWaalsContact O-OG 3.06Å |
| 73 | S | 88.3 | Confident | 91.1 | Very high | 76 Ų | 76 | 57 Ų | 57 | 53% | 0.531 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.9 | -25.2 | 178.8 | 50.4 | 0 | 0 | 0 | 0 | 113.2 | E69 A70 | E69-S73 WeakPolarHBondContact O-CB 3.4Å; E69-S73 PolarHBondContact O-N 2.89Å; E69-S73 PolarHBondContact O-OG 3.18Å; A70-S73 WeakPolarHBondContact CA-OG 3.47Å; A70-S73 PolarHBondContact O-N 2.81Å; A70-S73 PolarHBondContact O-OG 3.14Å; A70-S73 VanDerWaalsContact O-OG 3.07Å |
| 74 | H | 91.1 | Very high | 91.1 | Very high | 33 Ų | 33 | 53.7 Ų | 53.7 | 15% | 0.153 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 26.7 | 178.8 | -50.3 | 86.9 | 0 | 0 | 0 | 112.8 | V27 G30 T32 W53 L57 A70 A71 R72 Q76 | V27-H74 HydrophobicContact CG2-CB 4.27Å; G30-H74 VanDerWaalsContact CA-NE2 3.32Å; G30-H74 WeakPolarHBondContact CA-NE2 3.34Å; T32-H74 HydrophobicContact CG2-CB 3.71Å; W53-H74 PolarHBondContact NE1-O 2.9Å; L57-H74 WeakPolarHBondContact CD1-O 3.24Å; A70-H74 WeakPolarHBondContact O-CB 3.26Å; A70-H74 PolarHBondContact O-N 3.04Å; A70-H74 PolarHBondContact O-ND1 2.9Å; A71-H74 CarbonylContact O-C 3.53Å; R72-H74 PolarHBondContact O-N 3.22Å; H74-Q76 PolarHBondContact O-N 2.81Å |
| 75 | S | 88.4 | Confident | 91.2 | Very high | 55 Ų | 55 | 51.3 Ų | 51.3 | 39% | 0.385 | 27% | 0.265 | S | S | . | . | trans | -61.1 | -17 | -172.7 | 53.3 | 0 | 0 | 0 | 0 | 114.6 | A71 R72 | A71-S75 VanDerWaalsContact O-CA 3.24Å; A71-S75 WeakPolarHBondContact O-CA 3.42Å; A71-S75 PolarHBondContact O-N 3.18Å; R72-S75 WeakPolarHBondContact O-CB 3.25Å; R72-S75 PolarHBondContact O-N 2.9Å; R72-S75 PolarHBondContact O-OG 2.51Å; R72-S75 VanDerWaalsContact O-OG 3.06Å | ||
| 76 | Q | 87.4 | Confident | 91.4 | Very high | 77 Ų | 77 | 48.2 Ų | 48.2 | 36% | 0.36 | 25% | 0.249 | S | C | . | . | trans | -125.7 | 134.5 | -177.3 | -61.4 | -61.7 | -39.4 | 0 | 0 | 111.3 | T32 H74 T250 | T32-Q76 WeakPolarHBondContact CB-O 3.28Å; T32-Q76 WeakPolarHBondContact CG2-O 3.46Å; H74-Q76 PolarHBondContact O-N 2.81Å; Q76-T250 HydrophobicContact CG-CG2 4.09Å | ||
| 77 | L | 91.9 | Very high | 91.4 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | trans | -107.5 | 113.5 | 169.1 | -174.4 | 69.3 | 0 | 0 | 0 | 109.1 | L26 L34 F49 R50 W53 I79 | L26-L77 HydrophobicContact CD1-CD1 4.43Å; L34-L77 HydrophobicContact CB-CD1 4.28Å; F49-L77 HydrophobicContact CD1-CD2 3.62Å; F49-L77 HydrophobicContact CE1-CD2 3.77Å; R50-L77 HydrophobicContact CB-CD2 4.47Å; R50-L77 WeakPolarHBondContact CD-O 3.36Å; R50-L77 WeakPolarHBondContact CG-O 3.4Å; R50-L77 PolarHBondContact NE-O 2.76Å; W53-L77 HydrophobicContact CB-CB 4.3Å; W53-L77 HydrophobicContact CD2-CB 3.64Å; W53-L77 HydrophobicContact CD2-CD2 4.1Å; W53-L77 HydrophobicContact CD2-CG 4.36Å; W53-L77 HydrophobicContact CE3-CB 4.11Å; W53-L77 HydrophobicContact CE3-CD2 3.67Å; W53-L77 HydrophobicContact CE3-CG 4.34Å; W53-L77 HydrophobicContact CG-CB 3.71Å; W53-L77 HydrophobicContact CH2-CD1 4.36Å; W53-L77 HydrophobicContact CZ2-CB 4.49Å; W53-L77 HydrophobicContact CZ2-CD1 4.49Å; W53-L77 HydrophobicContact CZ3-CD1 4.41Å; W53-L77 HydrophobicContact CZ3-CD2 4Å; L77-I79 HydrophobicContact CD2-CD1 3.89Å; L77-I79 HydrophobicContact CD2-CG1 4.17Å; L77-I79 HydrophobicContact CG-CD1 4.33Å; L77-I79 HydrophobicContact CG-CG1 4.05Å | ||
| 78 | H | 92.6 | Very high | 91.5 | Very high | 20 Ų | 20 | 43.5 Ų | 43.5 | 9% | 0.093 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 127.7 | 174.1 | -61.4 | -73.9 | 0 | 0 | 0 | 109.4 | T32 Y33 L34 L245 A248 S249 | T32-H78 PolarHBondContact O-N 3.24Å; Y33-H78 HydrophobicContact CD1-CB 3.61Å; Y33-H78 AromaticContact CD1-CD2 3.88Å; Y33-H78 HydrophobicContact CE1-CB 3.92Å; Y33-H78 AromaticContact CE1-CD2 3.39Å; Y33-H78 WeakPolarHBondContact CE1-CD2 3.34Å; Y33-H78 AromaticContact CE1-CG 3.78Å; Y33-H78 AromaticContact CZ-CD2 3.94Å; L34-H78 PolarHBondContact N-O 3.38Å; H78-L245 HydrophobicContact CB-CD2 4Å; H78-A248 HydrophobicContact CB-CB 4.23Å; H78-A248 WeakPolarHBondContact ND1-CB 3.37Å; H78-S249 PolarHBondContact CE1-O 2.76Å |
| 79 | I | 92.9 | Very high | 91.5 | Very high | 7 Ų | 7 | 36.7 Ų | 36.7 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 133.3 | -178.6 | -61.6 | -169.3 | 0 | 0 | 0 | 110.2 | L34 A46 R50 L77 | L34-I79 HydrophobicContact CB-CG1 4.34Å; L34-I79 HydrophobicContact CD2-CD1 4.41Å; L34-I79 WeakPolarHBondContact O-CA 3.33Å; A46-I79 HydrophobicContact CB-CD1 4.07Å; A46-I79 HydrophobicContact CB-CG2 4.05Å; A46-I79 WeakPolarHBondContact O-CD1 3.35Å; R50-I79 HydrophobicContact CB-CD1 3.57Å; R50-I79 HydrophobicContact CB-CG1 4.11Å; L77-I79 HydrophobicContact CD2-CD1 3.89Å; L77-I79 HydrophobicContact CD2-CG1 4.17Å; L77-I79 HydrophobicContact CG-CD1 4.33Å; L77-I79 HydrophobicContact CG-CG1 4.05Å |
| 80 | V | 95 | Very high | 91.5 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 132.5 | 165.7 | 173 | 0 | 0 | 0 | 0 | 109.4 | L34 C35 V36 A241 A244 L245 C255 V257 | L34-V80 PolarHBondContact O-N 3.41Å; L34-V80 VanDerWaalsContact O-N 3.11Å; C35-V80 CarbonylContact C-O 3.55Å; C35-V80 WeakPolarHBondContact CA-O 3.33Å; V36-V80 PolarHBondContact N-O 2.91Å; V80-A241 HydrophobicContact CG1-CB 3.7Å; V80-A244 HydrophobicContact CG2-CB 3.8Å; V80-L245 HydrophobicContact CB-CD1 4.49Å; V80-L245 HydrophobicContact CB-CD2 4.08Å; V80-L245 HydrophobicContact CB-CG 4.01Å; V80-L245 HydrophobicContact CG2-CD2 3.64Å; V80-L245 HydrophobicContact CG2-CG 3.63Å; V80-C255 WeakPolarHBondContact CA-O 3.48Å; V80-V257 HydrophobicContact CG1-CG2 3.73Å |
| 81 | G | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 147.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V36 C255 V256 V257 | V36-G81 CarbonylContact O-C 3.55Å; V36-G81 WeakPolarHBondContact O-CA 3.31Å; G81-C255 PolarHBondContact N-O 3.43Å; G81-V256 CarbonylContact O-C 3.56Å; G81-V256 WeakPolarHBondContact O-CA 2.99Å; G81-V257 PolarHBondContact O-N 2.83Å |
| 82 | M | 94.5 | Very high | 91.3 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 3% | 0.03 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 138.5 | 162.3 | -66 | 173.1 | 52.8 | 0 | 0 | 109.1 | V36 I37 G38 G84 I97 M237 A241 V257 | V36-M82 PolarHBondContact O-N 3.17Å; I37-M82 WeakPolarHBondContact CA-O 3.31Å; I37-M82 HydrophobicContact CB-CB 4.46Å; I37-M82 HydrophobicContact CD1-CE 4.29Å; I37-M82 HydrophobicContact CD1-SD 4.1Å; I37-M82 HydrophobicContact CG1-CB 4.13Å; I37-M82 HydrophobicContact CG1-SD 4.17Å; I37-M82 HydrophobicContact CG2-CB 4.17Å; G38-M82 PolarHBondContact N-O 3.43Å; M82-G84 PolarHBondContact O-N 3.37Å; M82-I97 HydrophobicContact CE-CD1 3.52Å; M82-M237 HydrophobicContact CE-CB 3.58Å; M82-M237 HydrophobicContact SD-CB 4.42Å; M82-A241 HydrophobicContact CG-CB 4.16Å; M82-A241 HydrophobicContact SD-CB 3.88Å; M82-V257 HydrophobicContact CG-CB 4.39Å |
| 83 | V | 92.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.018 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 103.3 | -174.6 | -164.2 | 0 | 0 | 0 | 0 | 111 | G38 L43 F90 T96 I97 V256 | G38-V83 WeakPolarHBondContact O-CA 3.49Å; L43-V83 HydrophobicContact CD1-CG2 4.02Å; V83-F90 HydrophobicContact CB-CD1 4.48Å; V83-F90 HydrophobicContact CB-CG 4.49Å; V83-F90 HydrophobicContact CG1-CB 3.7Å; V83-F90 HydrophobicContact CG1-CD1 4.32Å; V83-F90 HydrophobicContact CG1-CD2 4.3Å; V83-F90 HydrophobicContact CG1-CG 3.87Å; V83-F90 HydrophobicContact CG2-CB 4.46Å; V83-F90 HydrophobicContact CG2-CD1 3.51Å; V83-F90 HydrophobicContact CG2-CD2 4.32Å; V83-F90 HydrophobicContact CG2-CE1 3.64Å; V83-F90 HydrophobicContact CG2-CE2 4.45Å; V83-F90 HydrophobicContact CG2-CG 3.85Å; V83-F90 HydrophobicContact CG2-CZ 4.12Å; V83-T96 HydrophobicContact CB-CG2 3.97Å; V83-T96 HydrophobicContact CG1-CG2 3.41Å; V83-T96 VanDerWaalsContact CG1-CG2 3.41Å; V83-I97 PolarHBondContact O-N 2.81Å; V83-V256 HydrophobicContact CG2-CG2 3.58Å |
| 84 | G | 93.4 | Very high | 91.3 | Very high | 27 Ų | 27 | 19.2 Ų | 19.2 | 28% | 0.278 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 97.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | G38 M82 | G38-G84 CarbonylContact C-O 3.47Å; G38-G84 PolarHBondContact O-N 3.21Å; M82-G84 PolarHBondContact O-N 3.37Å |
| 85 | S | 92.8 | Very high | 91.3 | Very high | 13 Ų | 13 | 18.5 Ų | 18.5 | 9% | 0.091 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 146.5 | -178.9 | -172.1 | 0 | 0 | 0 | 0 | 109.9 | D87 D89 T96 I97 T99 | S85-D87 PolarHBondContact OG-N 3.36Å; S85-D89 PolarHBondContact OG-OD1 3.08Å; S85-T96 WeakPolarHBondContact O-CB 3.38Å; S85-T96 PolarHBondContact O-OG1 2.81Å; S85-I97 CarbonylContact C-O 3.5Å; S85-I97 PolarHBondContact N-O 2.83Å; S85-I97 CarbonylContact O-C 3.48Å; S85-T99 PolarHBondContact O-OG1 2.89Å |
| 86 | I | 94.8 | Very high | 91.5 | Very high | 20 Ų | 20 | 16 Ų | 16 | 10% | 0.103 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -85.2 | -24.5 | 170 | 64 | 163.3 | 0 | 0 | 0 | 111.6 | N88 T99 A102 M129 L136 Q221 R222 | I86-N88 VanDerWaalsContact C-N 3.26Å; I86-N88 PolarHBondContact O-N 3.27Å; I86-T99 PolarHBondContact O-OG1 3.44Å; I86-A102 HydrophobicContact CB-CB 3.75Å; I86-A102 HydrophobicContact CD1-CB 4.41Å; I86-A102 HydrophobicContact CG2-CB 3.89Å; I86-M129 HydrophobicContact CD1-CB 4.09Å; I86-M129 HydrophobicContact CD1-SD 4.15Å; I86-L136 HydrophobicContact CB-CD1 4.45Å; I86-L136 HydrophobicContact CD1-CD1 4.27Å; I86-L136 HydrophobicContact CG1-CD1 4.38Å; I86-L136 WeakPolarHBondContact O-CD1 3.36Å; I86-Q221 HydrophobicContact CD1-CB 4.37Å; I86-R222 HydrophobicContact CD1-CG 3.71Å |
| 87 | D | 93.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.011 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -71 | -22.2 | -166.5 | -56.8 | -30.8 | 0 | 0 | 0 | 112.4 | S85 D89 G130 R131 | S85-D87 PolarHBondContact OG-N 3.36Å; D87-D89 HydrophobicContact CB-CB 4.11Å; D87-D89 PolarHBondContact O-N 2.81Å; D87-G130 WeakPolarHBondContact OD1-CA 3.49Å; D87-R131 IonicContact OD2-CZ 2.68Å; D87-R131 IonicContact OD2-NE 3.72Å; D87-R131 IonicContact OD2-NH2 3.6Å; D87-R131 PolarHBondContact OD2-NH2 2.64Å |
| 88 | N | 93.4 | Very high | 92.1 | Very high | 14 Ų | 14 | 14.4 Ų | 14.4 | 8% | 0.075 | 9% | 0.092 | C | C | . | . | trans | 51.9 | 40.2 | -170.8 | -154.9 | 35.5 | 0 | 0 | 0 | 113.3 | I86 D94 M95 T96 T99 Y135 | I86-N88 VanDerWaalsContact C-N 3.26Å; I86-N88 PolarHBondContact O-N 3.27Å; N88-D94 PolarHBondContact ND2-O 3.06Å; N88-M95 VanDerWaalsContact OD1-CA 3.31Å; N88-M95 WeakPolarHBondContact OD1-CA 3.46Å; N88-T96 VanDerWaalsContact CA-OG1 3.31Å; N88-T96 WeakPolarHBondContact CA-OG1 3.31Å; N88-T96 PolarHBondContact N-OG1 2.79Å; N88-T96 PolarHBondContact OD1-N 3.28Å; N88-T99 HydrophobicContact CB-CG2 3.82Å; N88-Y135 HydrophobicContact CB-CD1 3.75Å; N88-Y135 HydrophobicContact CB-CD2 4.47Å; N88-Y135 HydrophobicContact CB-CE1 4.27Å; N88-Y135 HydrophobicContact CB-CG 3.87Å; N88-Y135 WeakPolarHBondContact ND2-CD2 3.39Å; N88-Y135 WeakPolarHBondContact ND2-CE1 3.4Å; N88-Y135 VanDerWaalsContact ND2-CE2 3.26Å; N88-Y135 WeakPolarHBondContact ND2-CE2 3.21Å; N88-Y135 VanDerWaalsContact ND2-CZ 3.3Å | ||
| 89 | D | 89.5 | Confident | 92.3 | Very high | 13 Ų | 13 | 13.4 Ų | 13.4 | 7% | 0.07 | 9% | 0.087 | C | C | . | . | trans | -95.1 | -6.5 | -173.1 | 61.7 | -25.3 | 0 | 0 | 0 | 113.9 | S85 D87 R131 C133 T276 R295 | S85-D89 PolarHBondContact OG-OD1 3.08Å; D87-D89 HydrophobicContact CB-CB 4.11Å; D87-D89 PolarHBondContact O-N 2.81Å; D89-R131 IonicContact OD2-CZ 3.4Å; D89-R131 IonicContact OD2-NH1 3.9Å; D89-R131 PolarHBondContact OD2-NH1 3.41Å; D89-R131 IonicContact OD2-NH2 3.67Å; D89-C133 HydrophobicContact CB-CB 3.86Å; D89-T276 WeakPolarHBondContact O-CG2 3.43Å; D89-R295 PolarHBondContact O-NH1 3.1Å | ||
| 90 | F | 89.3 | Confident | 92.5 | Very high | 4 Ų | 4 | 13.1 Ų | 13.1 | 2% | 0.018 | 9% | 0.086 | C | C | . | . | trans | -87.1 | 120.5 | -176.6 | -169.7 | -92.9 | 0 | 0 | 0 | 111.9 | D40 L43 V83 T93 T96 V256 L269 C272 V273 | D40-F90 HydrophobicContact CB-CD2 4.24Å; L43-F90 HydrophobicContact CD1-CE2 3.94Å; L43-F90 HydrophobicContact CD1-CZ 4.12Å; V83-F90 HydrophobicContact CB-CD1 4.48Å; V83-F90 HydrophobicContact CB-CG 4.49Å; V83-F90 HydrophobicContact CG1-CB 3.7Å; V83-F90 HydrophobicContact CG1-CD1 4.32Å; V83-F90 HydrophobicContact CG1-CD2 4.3Å; V83-F90 HydrophobicContact CG1-CG 3.87Å; V83-F90 HydrophobicContact CG2-CB 4.46Å; V83-F90 HydrophobicContact CG2-CD1 3.51Å; V83-F90 HydrophobicContact CG2-CD2 4.32Å; V83-F90 HydrophobicContact CG2-CE1 3.64Å; V83-F90 HydrophobicContact CG2-CE2 4.45Å; V83-F90 HydrophobicContact CG2-CG 3.85Å; V83-F90 HydrophobicContact CG2-CZ 4.12Å; F90-T93 HydrophobicContact CD1-CG2 4.26Å; F90-T96 HydrophobicContact CB-CG2 4.13Å; F90-V256 HydrophobicContact CE1-CG1 4.03Å; F90-V256 HydrophobicContact CE1-CG2 4.17Å; F90-V256 HydrophobicContact CZ-CG1 4.21Å; F90-V256 HydrophobicContact CZ-CG2 4.28Å; F90-L269 HydrophobicContact CZ-CD1 4.31Å; F90-C272 HydrophobicContact CD1-CB 4.44Å; F90-C272 HydrophobicContact CE1-CB 3.43Å; F90-C272 VanDerWaalsContact CE1-CB 3.43Å; F90-C272 HydrophobicContact CE2-CB 4.32Å; F90-C272 HydrophobicContact CZ-CB 3.35Å; F90-V273 HydrophobicContact CE2-CG2 4.3Å | ||
| 91 | C | 88.4 | Confident | 92.6 | Very high | 7 Ų | 7 | 13.7 Ų | 13.7 | 5% | 0.047 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 139.3 | 178.2 | -64.6 | 0 | 0 | 0 | 0 | 111.2 | C272 M275 T276 | C91-C272 VanDerWaalsContact O-CB 3.28Å; C91-C272 WeakPolarHBondContact O-CB 3.06Å; C91-M275 HydrophobicContact CB-CB 3.75Å; C91-M275 HydrophobicContact CB-CE 4.35Å; C91-T276 PolarHBondContact N-OG1 3.5Å |
| 92 | G | 84.6 | Confident | 92.8 | Very high | 18 Ų | 18 | 13.8 Ų | 13.8 | 19% | 0.186 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 106.5 | -10 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S258 L267 | G92-S258 WeakPolarHBondContact O-CB 3.18Å; G92-L267 WeakPolarHBondContact O-CD1 3.19Å |
| 93 | T | 88.8 | Confident | 92.9 | Very high | 15 Ų | 15 | 13.7 Ų | 13.7 | 9% | 0.092 | 9% | 0.09 | C | C | . | . | trans | -123.2 | 139.1 | 172.1 | -167.5 | 0 | 0 | 0 | 0 | 110.8 | F90 M95 T96 L259 | F90-T93 HydrophobicContact CD1-CG2 4.26Å; T93-M95 VanDerWaalsContact C-N 3.28Å; T93-M95 PolarHBondContact OG1-O 2.98Å; T93-T96 HydrophobicContact CG2-CG2 3.58Å; T93-L259 PolarHBondContact OG1-N 3.38Å | ||
| 94 | D | 87.9 | Confident | 93.2 | Very high | 64 Ų | 64 | 15.1 Ų | 15.1 | 34% | 0.342 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -68.8 | -30.7 | 176.3 | -73.9 | -30.6 | 0 | 0 | 0 | 111.7 | N88 L259 V260 G261 | N88-D94 PolarHBondContact ND2-O 3.06Å; D94-L259 WeakPolarHBondContact CB-O 3.28Å; D94-L259 PolarHBondContact N-O 2.68Å; D94-V260 WeakPolarHBondContact OD2-CA 3.41Å; D94-G261 PolarHBondContact OD2-N 3.2Å |
| 95 | M | 91 | Very high | 93.4 | Very high | 18 Ų | 18 | 16.8 Ų | 16.8 | 9% | 0.089 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -149.2 | 134.7 | 179.1 | -159.6 | 78 | 71.6 | 0 | 0 | 110.4 | N88 T93 T99 Y135 F229 L259 | N88-M95 VanDerWaalsContact OD1-CA 3.31Å; N88-M95 WeakPolarHBondContact OD1-CA 3.46Å; T93-M95 VanDerWaalsContact C-N 3.28Å; T93-M95 PolarHBondContact OG1-O 2.98Å; M95-T99 HydrophobicContact SD-CG2 3.6Å; M95-T99 VanDerWaalsContact SD-CG2 3.6Å; M95-Y135 HydrophobicContact SD-CE1 4.07Å; M95-F229 HydrophobicContact CB-CE1 4.14Å; M95-F229 HydrophobicContact CB-CZ 4.47Å; M95-F229 HydrophobicContact CG-CE1 3.85Å; M95-L259 HydrophobicContact CB-CD2 4.07Å |
| 96 | T | 93.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | trans | -89.6 | 151.5 | 170.3 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | V83 S85 N88 F90 T93 G98 T99 | V83-T96 HydrophobicContact CB-CG2 3.97Å; V83-T96 HydrophobicContact CG1-CG2 3.41Å; V83-T96 VanDerWaalsContact CG1-CG2 3.41Å; S85-T96 WeakPolarHBondContact O-CB 3.38Å; S85-T96 PolarHBondContact O-OG1 2.81Å; N88-T96 VanDerWaalsContact CA-OG1 3.31Å; N88-T96 WeakPolarHBondContact CA-OG1 3.31Å; N88-T96 PolarHBondContact N-OG1 2.79Å; N88-T96 PolarHBondContact OD1-N 3.28Å; F90-T96 HydrophobicContact CB-CG2 4.13Å; T93-T96 HydrophobicContact CG2-CG2 3.58Å; T96-G98 PolarHBondContact O-N 3.36Å; T96-G98 VanDerWaalsContact O-N 3.15Å; T96-T99 PolarHBondContact O-N 3.23Å; T96-T99 PolarHBondContact O-OG1 3.09Å; T96-T99 PolarHBondContact OG1-OG1 2.82Å | ||
| 97 | I | 95.6 | Very high | 93.7 | Very high | 31 Ų | 31 | 15.5 Ų | 15.5 | 16% | 0.159 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 117 | 178.8 | -59.2 | 166.7 | 0 | 0 | 0 | 109.2 | M82 V83 S85 L233 A234 M237 | M82-I97 HydrophobicContact CE-CD1 3.52Å; V83-I97 PolarHBondContact O-N 2.81Å; S85-I97 CarbonylContact C-O 3.5Å; S85-I97 PolarHBondContact N-O 2.83Å; S85-I97 CarbonylContact O-C 3.48Å; I97-L233 HydrophobicContact CG1-CD2 4.07Å; I97-L233 HydrophobicContact CG1-CG 4.16Å; I97-A234 HydrophobicContact CD1-CB 4.09Å; I97-A234 HydrophobicContact CG1-CB 4.42Å; I97-A234 HydrophobicContact CG2-CB 4.03Å; I97-M237 HydrophobicContact CD1-SD 3.75Å; I97-M237 HydrophobicContact CG1-SD 3.78Å |
| 98 | G | 95.3 | Very high | 93.8 | Very high | 16 Ų | 16 | 20 Ų | 20 | 17% | 0.165 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 111.9 | -15.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T96 S101 A102 D230 | T96-G98 PolarHBondContact O-N 3.36Å; T96-G98 VanDerWaalsContact O-N 3.15Å; G98-S101 PolarHBondContact O-N 3.4Å; G98-A102 WeakPolarHBondContact O-CB 3.33Å; G98-A102 PolarHBondContact O-N 3.14Å; G98-D230 VanDerWaalsContact C-OD2 3.31Å; G98-D230 WeakPolarHBondContact CA-OD2 3.24Å; G98-D230 VanDerWaalsContact N-CG 3.25Å; G98-D230 PolarHBondContact N-OD1 3.02Å; G98-D230 PolarHBondContact N-OD2 3.35Å |
| 99 | T | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.1 | -46.5 | -179.8 | -65.1 | 0 | 0 | 0 | 0 | 111.8 | S85 I86 N88 M95 T96 S101 A102 L103 Y135 L136 | S85-T99 PolarHBondContact O-OG1 2.89Å; I86-T99 PolarHBondContact O-OG1 3.44Å; N88-T99 HydrophobicContact CB-CG2 3.82Å; M95-T99 HydrophobicContact SD-CG2 3.6Å; M95-T99 VanDerWaalsContact SD-CG2 3.6Å; T96-T99 PolarHBondContact O-N 3.23Å; T96-T99 PolarHBondContact O-OG1 3.09Å; T96-T99 PolarHBondContact OG1-OG1 2.82Å; T99-S101 VanDerWaalsContact C-N 3.34Å; T99-S101 PolarHBondContact O-N 3.32Å; T99-A102 WeakPolarHBondContact O-CB 3.43Å; T99-A102 PolarHBondContact O-N 3.18Å; T99-L103 HydrophobicContact CG2-CD1 4.38Å; T99-L103 WeakPolarHBondContact O-CG 3.37Å; T99-L103 PolarHBondContact O-N 2.93Å; T99-Y135 HydrophobicContact CG2-CD1 3.83Å; T99-Y135 HydrophobicContact CG2-CE1 3.7Å; T99-L136 HydrophobicContact CG2-CD2 3.95Å |
| 100 | D | 96.8 | Very high | 94 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65 | -40.5 | 180 | -175.7 | 72.8 | 0 | 0 | 0 | 111.2 | A102 L103 H104 S227 F229 D230 | D100-A102 VanDerWaalsContact C-N 3.33Å; D100-A102 PolarHBondContact O-N 2.8Å; D100-L103 WeakPolarHBondContact O-CB 3.5Å; D100-L103 PolarHBondContact O-N 2.91Å; D100-H104 PolarHBondContact O-CD2 3.35Å; D100-H104 PolarHBondContact O-N 3.46Å; D100-H104 IonicContact OD2-CD2 3.98Å; D100-H104 PolarHBondContact OD2-CD2 3.31Å; D100-H104 IonicContact OD2-NE2 2.66Å; D100-S227 WeakPolarHBondContact OD2-CB 3.35Å; D100-S227 PolarHBondContact OD2-OG 2.87Å; D100-F229 HydrophobicContact CB-CB 4.3Å; D100-F229 HydrophobicContact CB-CD1 3.95Å; D100-F229 HydrophobicContact CB-CG 4.4Å; D100-D230 PolarHBondContact N-OD2 3.24Å |
| 101 | S | 97.6 | Very high | 94.2 | Very high | 15 Ų | 15 | 22.3 Ų | 22.3 | 11% | 0.105 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.9 | -40.4 | 173 | -59.3 | 0 | 0 | 0 | 0 | 112.6 | G98 T99 H104 R105 P226 S227 D230 | G98-S101 PolarHBondContact O-N 3.4Å; T99-S101 VanDerWaalsContact C-N 3.34Å; T99-S101 PolarHBondContact O-N 3.32Å; S101-H104 WeakPolarHBondContact O-CB 3.02Å; S101-H104 PolarHBondContact O-N 3.05Å; S101-R105 PolarHBondContact O-N 2.94Å; S101-P226 VanDerWaalsContact OG-CA 3.29Å; S101-P226 WeakPolarHBondContact OG-CA 3.29Å; S101-S227 PolarHBondContact OG-N 3.44Å; S101-D230 WeakPolarHBondContact CB-OD2 3.5Å; S101-D230 PolarHBondContact N-OD2 2.91Å; S101-D230 PolarHBondContact OG-OD2 3.26Å |
| 102 | A | 97.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.7 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I86 G98 T99 D100 H104 R105 I106 L136 Q221 | I86-A102 HydrophobicContact CB-CB 3.75Å; I86-A102 HydrophobicContact CD1-CB 4.41Å; I86-A102 HydrophobicContact CG2-CB 3.89Å; G98-A102 WeakPolarHBondContact O-CB 3.33Å; G98-A102 PolarHBondContact O-N 3.14Å; T99-A102 WeakPolarHBondContact O-CB 3.43Å; T99-A102 PolarHBondContact O-N 3.18Å; D100-A102 VanDerWaalsContact C-N 3.33Å; D100-A102 PolarHBondContact O-N 2.8Å; A102-H104 VanDerWaalsContact C-N 3.28Å; A102-H104 PolarHBondContact O-N 3.48Å; A102-R105 WeakPolarHBondContact O-CB 3.37Å; A102-R105 PolarHBondContact O-N 3.38Å; A102-R105 VanDerWaalsContact O-N 3.08Å; A102-I106 WeakPolarHBondContact O-CG1 3.26Å; A102-I106 PolarHBondContact O-N 3.17Å; A102-L136 HydrophobicContact CB-CD1 4.31Å; A102-L136 HydrophobicContact CB-CD2 4.08Å; A102-Q221 WeakPolarHBondContact CA-O 3.43Å; A102-Q221 WeakPolarHBondContact CB-O 3.42Å |
| 103 | L | 97.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.9 | -40.6 | 172.9 | -69.7 | 170.6 | 0 | 0 | 0 | 111.7 | T99 D100 R105 I106 I107 L136 V139 P592 | T99-L103 HydrophobicContact CG2-CD1 4.38Å; T99-L103 WeakPolarHBondContact O-CG 3.37Å; T99-L103 PolarHBondContact O-N 2.93Å; D100-L103 WeakPolarHBondContact O-CB 3.5Å; D100-L103 PolarHBondContact O-N 2.91Å; L103-R105 VanDerWaalsContact C-N 3.3Å; L103-R105 PolarHBondContact O-N 2.97Å; L103-I106 HydrophobicContact CD2-CD1 4.37Å; L103-I106 PolarHBondContact O-N 3.31Å; L103-I107 WeakPolarHBondContact O-CB 3.32Å; L103-I107 WeakPolarHBondContact O-CG1 3.31Å; L103-I107 PolarHBondContact O-N 2.94Å; L103-L136 HydrophobicContact CD2-CD2 3.7Å; L103-L136 HydrophobicContact CG-CD2 3.73Å; L103-V139 HydrophobicContact CD1-CB 4.27Å; L103-V139 HydrophobicContact CD1-CG1 3.67Å; L103-V139 HydrophobicContact CD2-CB 3.94Å; L103-V139 HydrophobicContact CD2-CG1 3.89Å; L103-V139 HydrophobicContact CG-CG1 4.43Å; L103-P592 HydrophobicContact CB-CB 3.83Å; L103-P592 HydrophobicContact CB-CG 4.05Å |
| 104 | H | 97.8 | Very high | 94.6 | Very high | 34 Ų | 34 | 25.3 Ų | 25.3 | 16% | 0.157 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.9 | -41.6 | 174.7 | -92.4 | -93.9 | 0 | 0 | 0 | 112.1 | D100 S101 A102 E108 P592 | D100-H104 PolarHBondContact O-CD2 3.35Å; D100-H104 PolarHBondContact O-N 3.46Å; D100-H104 IonicContact OD2-CD2 3.98Å; D100-H104 PolarHBondContact OD2-CD2 3.31Å; D100-H104 IonicContact OD2-NE2 2.66Å; S101-H104 WeakPolarHBondContact O-CB 3.02Å; S101-H104 PolarHBondContact O-N 3.05Å; A102-H104 VanDerWaalsContact C-N 3.28Å; A102-H104 PolarHBondContact O-N 3.48Å; H104-E108 WeakPolarHBondContact O-CB 3.22Å; H104-E108 PolarHBondContact O-N 3.17Å; H104-P592 HydrophobicContact CB-CG 4.3Å; H104-P592 WeakPolarHBondContact NE2-CD 3.23Å |
| 105 | R | 97.4 | Very high | 94.5 | Very high | 62 Ų | 62 | 26.6 Ų | 26.6 | 23% | 0.234 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.8 | -39.6 | 176.8 | -63.6 | -57.7 | 90.2 | -175.7 | 3.2 | 112.1 | S101 A102 L103 E108 V109 V220 | S101-R105 PolarHBondContact O-N 2.94Å; A102-R105 WeakPolarHBondContact O-CB 3.37Å; A102-R105 PolarHBondContact O-N 3.38Å; A102-R105 VanDerWaalsContact O-N 3.08Å; L103-R105 VanDerWaalsContact C-N 3.3Å; L103-R105 PolarHBondContact O-N 2.97Å; R105-E108 IonicContact CZ-OE1 3.78Å; R105-E108 IonicContact CZ-OE2 2.7Å; R105-E108 IonicContact NE-OE2 3.2Å; R105-E108 IonicContact NH1-OE1 3.94Å; R105-E108 PolarHBondContact NH1-OE1 2.92Å; R105-E108 IonicContact NH1-OE2 2.81Å; R105-E108 PolarHBondContact NH1-OE2 3.32Å; R105-E108 IonicContact NH2-OE1 2.82Å; R105-E108 IonicContact NH2-OE2 2.81Å; R105-V109 WeakPolarHBondContact O-CG2 3.27Å; R105-V109 PolarHBondContact O-N 3.31Å; R105-V220 WeakPolarHBondContact CG-O 3.43Å |
| 106 | I | 97.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.7 | -49.2 | 177.3 | -62.8 | 156.9 | 0 | 0 | 0 | 110.2 | A102 L103 E108 V109 V110 V128 L136 S140 L217 Q221 | A102-I106 WeakPolarHBondContact O-CG1 3.26Å; A102-I106 PolarHBondContact O-N 3.17Å; L103-I106 HydrophobicContact CD2-CD1 4.37Å; L103-I106 PolarHBondContact O-N 3.31Å; I106-E108 PolarHBondContact O-N 3.31Å; I106-V109 PolarHBondContact O-N 3.44Å; I106-V110 HydrophobicContact CG2-CG2 4.22Å; I106-V110 WeakPolarHBondContact O-CG2 3.45Å; I106-V110 PolarHBondContact O-N 2.86Å; I106-V128 HydrophobicContact CD1-CG1 3.44Å; I106-V128 VanDerWaalsContact CD1-CG1 3.44Å; I106-V128 HydrophobicContact CG1-CG1 4.13Å; I106-V128 HydrophobicContact CG2-CG2 3.99Å; I106-L136 HydrophobicContact CD1-CB 4.05Å; I106-L136 HydrophobicContact CD1-CD1 4.4Å; I106-L136 HydrophobicContact CD1-CD2 4.18Å; I106-L136 HydrophobicContact CD1-CG 4.45Å; I106-S140 VanDerWaalsContact CG2-OG 3.29Å; I106-S140 WeakPolarHBondContact CG2-OG 3.05Å; I106-L217 HydrophobicContact CB-CD2 4.04Å; I106-L217 HydrophobicContact CG1-CD2 3.84Å; I106-L217 HydrophobicContact CG2-CD2 3.96Å; I106-Q221 HydrophobicContact CG1-CG 3.9Å |
| 107 | I | 96.7 | Very high | 93.8 | Very high | 5 Ų | 5 | 28.1 Ų | 28.1 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.2 | -36.3 | -178.1 | -65.2 | -56.9 | 0 | 0 | 0 | 112.4 | L103 V109 V110 D111 A143 C144 P592 R595 | L103-I107 WeakPolarHBondContact O-CB 3.32Å; L103-I107 WeakPolarHBondContact O-CG1 3.31Å; L103-I107 PolarHBondContact O-N 2.94Å; I107-V109 VanDerWaalsContact C-N 3.34Å; I107-V109 PolarHBondContact O-N 2.83Å; I107-V110 PolarHBondContact O-N 3.07Å; I107-D111 WeakPolarHBondContact O-CB 3.4Å; I107-D111 VanDerWaalsContact O-CG 3.24Å; I107-D111 PolarHBondContact O-N 2.79Å; I107-A143 HydrophobicContact CD1-CB 3.75Å; I107-A143 HydrophobicContact CG1-CB 4.3Å; I107-C144 HydrophobicContact CD1-CB 4.28Å; I107-P592 HydrophobicContact CB-CG 4.08Å; I107-P592 HydrophobicContact CG1-CB 3.94Å; I107-P592 HydrophobicContact CG1-CG 3.83Å; I107-R595 VanDerWaalsContact CG2-NH1 3.33Å |
| 108 | E | 95.3 | Very high | 93.2 | Very high | 97 Ų | 97 | 30.6 Ų | 30.6 | 45% | 0.453 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59 | -45 | 172.8 | 179.9 | -173.3 | -137.4 | 0 | 0 | 111.9 | H104 R105 I106 A112 | H104-E108 WeakPolarHBondContact O-CB 3.22Å; H104-E108 PolarHBondContact O-N 3.17Å; R105-E108 IonicContact CZ-OE1 3.78Å; R105-E108 IonicContact CZ-OE2 2.7Å; R105-E108 IonicContact NE-OE2 3.2Å; R105-E108 IonicContact NH1-OE1 3.94Å; R105-E108 PolarHBondContact NH1-OE1 2.92Å; R105-E108 IonicContact NH1-OE2 2.81Å; R105-E108 PolarHBondContact NH1-OE2 3.32Å; R105-E108 IonicContact NH2-OE1 2.82Å; R105-E108 IonicContact NH2-OE2 2.81Å; I106-E108 PolarHBondContact O-N 3.31Å; E108-A112 WeakPolarHBondContact O-CB 3.44Å; E108-A112 PolarHBondContact O-N 3Å |
| 109 | V | 95.1 | Very high | 92.8 | Very high | 37 Ų | 37 | 33.7 Ų | 33.7 | 22% | 0.224 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.4 | -42.8 | 176.9 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | R105 I106 I107 A112 I113 L217 V220 | R105-V109 WeakPolarHBondContact O-CG2 3.27Å; R105-V109 PolarHBondContact O-N 3.31Å; I106-V109 PolarHBondContact O-N 3.44Å; I107-V109 VanDerWaalsContact C-N 3.34Å; I107-V109 PolarHBondContact O-N 2.83Å; V109-A112 PolarHBondContact O-N 3.09Å; V109-I113 HydrophobicContact CG1-CD1 3.7Å; V109-I113 HydrophobicContact CG1-CG1 4.45Å; V109-I113 VanDerWaalsContact O-CG1 3.28Å; V109-I113 WeakPolarHBondContact O-CG1 3.41Å; V109-I113 PolarHBondContact O-N 3.27Å; V109-L217 HydrophobicContact CB-CD2 4.19Å; V109-L217 HydrophobicContact CB-CG 4.23Å; V109-L217 HydrophobicContact CG1-CD1 3.95Å; V109-L217 HydrophobicContact CG1-CD2 4.37Å; V109-L217 HydrophobicContact CG1-CG 3.94Å; V109-L217 HydrophobicContact CG2-CD2 4.43Å; V109-L217 HydrophobicContact CG2-CG 4.34Å; V109-V220 HydrophobicContact CG2-CG2 4.5Å |
| 110 | V | 93.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59 | -50 | 176.8 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | I106 I107 A112 I113 M114 L126 C144 I180 | I106-V110 HydrophobicContact CG2-CG2 4.22Å; I106-V110 WeakPolarHBondContact O-CG2 3.45Å; I106-V110 PolarHBondContact O-N 2.86Å; I107-V110 PolarHBondContact O-N 3.07Å; V110-A112 VanDerWaalsContact C-N 3.31Å; V110-A112 PolarHBondContact O-N 3.05Å; V110-I113 PolarHBondContact O-N 3.4Å; V110-I113 VanDerWaalsContact O-N 3.11Å; V110-M114 HydrophobicContact CG1-CG 4.18Å; V110-M114 HydrophobicContact CG1-SD 4.19Å; V110-M114 VanDerWaalsContact O-CG 3.3Å; V110-M114 WeakPolarHBondContact O-CG 3.33Å; V110-M114 PolarHBondContact O-N 3.21Å; V110-L126 HydrophobicContact CG2-CD1 3.72Å; V110-C144 HydrophobicContact CG1-CB 3.57Å; V110-I180 HydrophobicContact CG1-CD1 3.95Å |
| 111 | D | 92.9 | Very high | 91.7 | Very high | 40 Ų | 40 | 43.1 Ų | 43.1 | 21% | 0.214 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.2 | -39.4 | -179.4 | -71.5 | -14.4 | 0 | 0 | 0 | 111.5 | I107 I113 M114 R595 | I107-D111 WeakPolarHBondContact O-CB 3.4Å; I107-D111 VanDerWaalsContact O-CG 3.24Å; I107-D111 PolarHBondContact O-N 2.79Å; D111-I113 VanDerWaalsContact C-N 3.33Å; D111-I113 PolarHBondContact O-N 2.78Å; D111-M114 PolarHBondContact O-N 2.92Å; D111-R595 IonicContact OD1-CZ 3.66Å; D111-R595 IonicContact OD1-NH1 2.73Å; D111-R595 PolarHBondContact OD1-NH1 3.42Å; D111-R595 IonicContact OD1-NH2 3.78Å; D111-R595 IonicContact OD2-CZ 3.03Å; D111-R595 IonicContact OD2-NH1 3.6Å; D111-R595 PolarHBondContact OD2-NH1 3.46Å; D111-R595 IonicContact OD2-NH2 2.6Å; D111-R595 PolarHBondContact OD2-NH2 2.94Å |
| 112 | A | 92.5 | Very high | 91.3 | Very high | 64 Ų | 64 | 44.9 Ų | 44.9 | 53% | 0.529 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.2 | -42.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E108 V109 V110 T115 | E108-A112 WeakPolarHBondContact O-CB 3.44Å; E108-A112 PolarHBondContact O-N 3Å; V109-A112 PolarHBondContact O-N 3.09Å; V110-A112 VanDerWaalsContact C-N 3.31Å; V110-A112 PolarHBondContact O-N 3.05Å; A112-T115 PolarHBondContact O-OG1 3.37Å |
| 113 | I | 91.3 | Very high | 91.1 | Very high | 21 Ų | 21 | 44.9 Ų | 44.9 | 11% | 0.108 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.1 | -36.3 | 178.7 | -70.2 | 169.2 | 0 | 0 | 0 | 111.9 | V109 V110 D111 T115 T116 A117 F124 L126 T215 | V109-I113 HydrophobicContact CG1-CD1 3.7Å; V109-I113 HydrophobicContact CG1-CG1 4.45Å; V109-I113 VanDerWaalsContact O-CG1 3.28Å; V109-I113 WeakPolarHBondContact O-CG1 3.41Å; V109-I113 PolarHBondContact O-N 3.27Å; V110-I113 PolarHBondContact O-N 3.4Å; V110-I113 VanDerWaalsContact O-N 3.11Å; D111-I113 VanDerWaalsContact C-N 3.33Å; D111-I113 PolarHBondContact O-N 2.78Å; I113-T115 PolarHBondContact O-N 2.74Å; I113-T115 VanDerWaalsContact O-N 3.15Å; I113-T116 WeakPolarHBondContact O-CG2 3.47Å; I113-T116 PolarHBondContact O-N 3.06Å; I113-A117 HydrophobicContact CG2-CB 4.46Å; I113-A117 VanDerWaalsContact O-CB 3.29Å; I113-A117 WeakPolarHBondContact O-CB 3.44Å; I113-A117 PolarHBondContact O-N 2.76Å; I113-F124 HydrophobicContact CG2-CB 4.18Å; I113-F124 HydrophobicContact CG2-CD1 3.42Å; I113-F124 VanDerWaalsContact CG2-CD1 3.42Å; I113-F124 HydrophobicContact CG2-CD2 3.71Å; I113-F124 HydrophobicContact CG2-CE1 3.56Å; I113-F124 HydrophobicContact CG2-CE2 3.85Å; I113-F124 HydrophobicContact CG2-CG 3.48Å; I113-F124 VanDerWaalsContact CG2-CG 3.48Å; I113-F124 HydrophobicContact CG2-CZ 3.76Å; I113-L126 HydrophobicContact CD1-CD2 3.48Å; I113-L126 VanDerWaalsContact CD1-CD2 3.48Å; I113-T215 HydrophobicContact CD1-CG2 4.01Å |
| 114 | M | 86.9 | Confident | 91 | Very high | 18 Ų | 18 | 45.3 Ų | 45.3 | 9% | 0.089 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -53.5 | -39.9 | -177.6 | -81.1 | -176.9 | 66.4 | 0 | 0 | 112.2 | V110 D111 A117 Q118 L178 I180 | V110-M114 HydrophobicContact CG1-CG 4.18Å; V110-M114 HydrophobicContact CG1-SD 4.19Å; V110-M114 VanDerWaalsContact O-CG 3.3Å; V110-M114 WeakPolarHBondContact O-CG 3.33Å; V110-M114 PolarHBondContact O-N 3.21Å; D111-M114 PolarHBondContact O-N 2.92Å; M114-A117 PolarHBondContact O-N 2.84Å; M114-Q118 WeakPolarHBondContact O-CB 3.4Å; M114-Q118 VanDerWaalsContact O-CG 3.27Å; M114-Q118 WeakPolarHBondContact O-CG 3.39Å; M114-Q118 PolarHBondContact O-N 2.76Å; M114-L178 HydrophobicContact CB-CD2 4.25Å; M114-L178 HydrophobicContact CE-CD2 4.25Å; M114-L178 HydrophobicContact CG-CD2 3.83Å; M114-I180 HydrophobicContact CG-CD1 3.86Å; M114-I180 HydrophobicContact SD-CD1 4.38Å |
| 115 | T | 84.1 | Confident | 91 | Very high | 91 Ų | 91 | 43.7 Ų | 43.7 | 56% | 0.558 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -64.7 | -45.9 | -178.5 | 63.2 | 0 | 0 | 0 | 0 | 112.9 | A112 I113 S119 | A112-T115 PolarHBondContact O-OG1 3.37Å; I113-T115 PolarHBondContact O-N 2.74Å; I113-T115 VanDerWaalsContact O-N 3.15Å; T115-S119 PolarHBondContact O-N 3.29Å; T115-S119 PolarHBondContact O-OG 3.47Å |
| 116 | T | 87 | Confident | 91 | Very high | 52 Ų | 52 | 40.8 Ų | 40.8 | 32% | 0.319 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -70.6 | -36.6 | 175.8 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | I113 S119 H120 F124 | I113-T116 WeakPolarHBondContact O-CG2 3.47Å; I113-T116 PolarHBondContact O-N 3.06Å; T116-S119 WeakPolarHBondContact O-CB 3.32Å; T116-S119 PolarHBondContact O-N 3.06Å; T116-H120 PolarHBondContact O-CD2 2.67Å; T116-H120 PolarHBondContact O-N 2.9Å; T116-H120 VanDerWaalsContact O-N 3.12Å; T116-F124 HydrophobicContact CG2-CZ 4.23Å |
| 117 | A | 84 | Confident | 91 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.7 | -42.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I113 M114 S119 Q121 R122 F124 L178 | I113-A117 HydrophobicContact CG2-CB 4.46Å; I113-A117 VanDerWaalsContact O-CB 3.29Å; I113-A117 WeakPolarHBondContact O-CB 3.44Å; I113-A117 PolarHBondContact O-N 2.76Å; M114-A117 PolarHBondContact O-N 2.84Å; A117-S119 VanDerWaalsContact C-N 3.31Å; A117-S119 PolarHBondContact O-N 3.26Å; A117-Q121 WeakPolarHBondContact O-CA 3.36Å; A117-Q121 PolarHBondContact O-N 2.85Å; A117-R122 PolarHBondContact O-N 2.69Å; A117-F124 HydrophobicContact CB-CD2 3.49Å; A117-F124 VanDerWaalsContact CB-CD2 3.49Å; A117-F124 HydrophobicContact CB-CE2 3.33Å; A117-F124 HydrophobicContact CB-CZ 4.44Å; A117-L178 HydrophobicContact CB-CD1 3.28Å; A117-L178 HydrophobicContact CB-CD2 4.47Å; A117-L178 HydrophobicContact CB-CG 4.27Å |
| 118 | Q | 83.9 | Confident | 91.1 | Very high | 83 Ų | 83 | 42.6 Ų | 42.6 | 39% | 0.388 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.4 | -35.4 | 174.3 | -73.6 | 176.5 | -2.1 | 0 | 0 | 112.6 | M114 R177 L178 | M114-Q118 WeakPolarHBondContact O-CB 3.4Å; M114-Q118 VanDerWaalsContact O-CG 3.27Å; M114-Q118 WeakPolarHBondContact O-CG 3.39Å; M114-Q118 PolarHBondContact O-N 2.76Å; Q118-R177 PolarHBondContact O-NE 3.09Å; Q118-R177 PolarHBondContact O-NH2 3.34Å; Q118-L178 HydrophobicContact CG-CB 4.06Å; Q118-L178 HydrophobicContact CG-CD2 4.15Å |
| 119 | S | 85.6 | Confident | 91.2 | Very high | 81 Ų | 81 | 38.7 Ų | 38.7 | 57% | 0.566 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -65.2 | -46.9 | 179.7 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | T115 T116 A117 | T115-S119 PolarHBondContact O-N 3.29Å; T115-S119 PolarHBondContact O-OG 3.47Å; T116-S119 WeakPolarHBondContact O-CB 3.32Å; T116-S119 PolarHBondContact O-N 3.06Å; A117-S119 VanDerWaalsContact C-N 3.31Å; A117-S119 PolarHBondContact O-N 3.26Å |
| 120 | H | 84.8 | Confident | 91.1 | Very high | 114 Ų | 114 | 37 Ų | 37 | 53% | 0.528 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -96.8 | 3.3 | -176.4 | -67.7 | -70.1 | 0 | 0 | 0 | 114.9 | T116 R122 | T116-H120 PolarHBondContact O-CD2 2.67Å; T116-H120 PolarHBondContact O-N 2.9Å; T116-H120 VanDerWaalsContact O-N 3.12Å; H120-R122 HydrophobicContact CB-CG 3.79Å |
| 121 | Q | 85.4 | Confident | 90.9 | Very high | 84 Ų | 84 | 42 Ų | 42 | 39% | 0.393 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 53.9 | -172.8 | -56.9 | -177.7 | 17.2 | 0 | 0 | 113.1 | A117 R172 R177 | A117-Q121 WeakPolarHBondContact O-CA 3.36Å; A117-Q121 PolarHBondContact O-N 2.85Å; Q121-R172 PolarHBondContact O-NH1 3.41Å; Q121-R172 PolarHBondContact O-NH2 2.93Å; Q121-R177 CarbonylContact C-O 3.47Å; Q121-R177 WeakPolarHBondContact CA-O 3.45Å; Q121-R177 HydrophobicContact CG-CB 4.28Å |
| 122 | R | 89.9 | Confident | 90.8 | Very high | 53 Ų | 53 | 45 Ų | 45 | 20% | 0.2 | 23% | 0.234 | C | C | . | . | trans | -99.6 | 159.4 | -173.9 | -74.1 | 177.2 | 177.3 | 153.7 | 4.6 | 113.7 | A117 H120 F124 N179 D211 | A117-R122 PolarHBondContact O-N 2.69Å; H120-R122 HydrophobicContact CB-CG 3.79Å; R122-F124 HydrophobicContact CB-CD2 4.06Å; R122-F124 HydrophobicContact CB-CE2 3.66Å; R122-N179 PolarHBondContact O-N 2.9Å; R122-D211 WeakPolarHBondContact CA-O 3.43Å; R122-D211 HydrophobicContact CG-CB 4.15Å; R122-D211 IonicContact CZ-OD2 2.72Å; R122-D211 IonicContact NE-OD2 2.8Å; R122-D211 PolarHBondContact NE-OD2 2.99Å; R122-D211 IonicContact NH2-OD2 3.39Å | ||
| 123 | T | 93.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 134.4 | 163.8 | -56.7 | 0 | 0 | 0 | 0 | 109.1 | N179 I181 V204 D211 T212 R213 | T123-N179 CarbonylContact C-O 3.57Å; T123-N179 WeakPolarHBondContact CA-O 3.5Å; T123-N179 HydrophobicContact CG2-CB 3.9Å; T123-I181 HydrophobicContact CG2-CD1 4.06Å; T123-V204 HydrophobicContact CG2-CG1 4.31Å; T123-D211 PolarHBondContact N-O 3Å; T123-T212 HydrophobicContact CG2-CG2 3.99Å; T123-T212 VanDerWaalsContact O-CA 3.31Å; T123-T212 WeakPolarHBondContact O-CA 3.29Å; T123-R213 PolarHBondContact O-N 2.87Å |
| 124 | F | 95.9 | Very high | 91.1 | Very high | 13 Ų | 13 | 41 Ų | 41 | 6% | 0.057 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 130.5 | 174.6 | -81.8 | -96 | 0 | 0 | 0 | 110.7 | I113 T116 A117 R122 N179 I181 R213 | I113-F124 HydrophobicContact CG2-CB 4.18Å; I113-F124 HydrophobicContact CG2-CD1 3.42Å; I113-F124 VanDerWaalsContact CG2-CD1 3.42Å; I113-F124 HydrophobicContact CG2-CD2 3.71Å; I113-F124 HydrophobicContact CG2-CE1 3.56Å; I113-F124 HydrophobicContact CG2-CE2 3.85Å; I113-F124 HydrophobicContact CG2-CG 3.48Å; I113-F124 VanDerWaalsContact CG2-CG 3.48Å; I113-F124 HydrophobicContact CG2-CZ 3.76Å; T116-F124 HydrophobicContact CG2-CZ 4.23Å; A117-F124 HydrophobicContact CB-CD2 3.49Å; A117-F124 VanDerWaalsContact CB-CD2 3.49Å; A117-F124 HydrophobicContact CB-CE2 3.33Å; A117-F124 HydrophobicContact CB-CZ 4.44Å; R122-F124 HydrophobicContact CB-CD2 4.06Å; R122-F124 HydrophobicContact CB-CE2 3.66Å; F124-N179 PolarHBondContact N-O 3.36Å; F124-I181 PolarHBondContact O-N 3.44Å; F124-R213 WeakPolarHBondContact CA-O 3.28Å; F124-R213 HydrophobicContact CD1-CB 3.88Å; F124-R213 HydrophobicContact CE1-CB 3.67Å; F124-R213 HydrophobicContact CE1-CG 4.26Å; F124-R213 HydrophobicContact CZ-CB 4.18Å; F124-R213 HydrophobicContact CZ-CG 4.3Å |
| 125 | V | 97.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 116.2 | 170.5 | -170.8 | 0 | 0 | 0 | 0 | 107.3 | I181 V183 P197 I200 T212 R213 V214 T215 | V125-I181 WeakPolarHBondContact CA-O 3.48Å; V125-I181 HydrophobicContact CG1-CG2 4.44Å; V125-I181 HydrophobicContact CG2-CB 4.46Å; V125-I181 HydrophobicContact CG2-CD1 4.3Å; V125-V183 HydrophobicContact CG1-CG2 3.54Å; V125-P197 HydrophobicContact CG1-CB 3.84Å; V125-I200 HydrophobicContact CG1-CB 4.26Å; V125-I200 HydrophobicContact CG1-CD1 4.34Å; V125-I200 HydrophobicContact CG1-CG2 4.12Å; V125-I200 HydrophobicContact CG2-CB 4.44Å; V125-I200 HydrophobicContact CG2-CG2 3.78Å; V125-T212 HydrophobicContact CG2-CG2 3.85Å; V125-R213 PolarHBondContact N-O 3.19Å; V125-V214 HydrophobicContact CB-CG2 4.19Å; V125-V214 CarbonylContact O-C 3.58Å; V125-V214 WeakPolarHBondContact O-CA 3.47Å; V125-T215 PolarHBondContact O-N 3.46Å |
| 126 | L | 97.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 117.3 | -173.4 | -63.8 | 169 | 0 | 0 | 0 | 110.3 | V110 I113 I180 I181 I182 V183 T215 L217 | V110-L126 HydrophobicContact CG2-CD1 3.72Å; I113-L126 HydrophobicContact CD1-CD2 3.48Å; I113-L126 VanDerWaalsContact CD1-CD2 3.48Å; L126-I180 HydrophobicContact CD1-CG2 3.92Å; L126-I181 PolarHBondContact N-O 3.49Å; L126-I182 HydrophobicContact CB-CD1 3.91Å; L126-I182 HydrophobicContact CD1-CD1 3.76Å; L126-I182 HydrophobicContact CG-CD1 4.41Å; L126-V183 PolarHBondContact O-N 2.95Å; L126-T215 WeakPolarHBondContact CA-O 3.26Å; L126-T215 HydrophobicContact CD2-CG2 4.22Å; L126-L217 HydrophobicContact CD2-CD1 4.12Å |
| 127 | E | 98.1 | Very high | 92.7 | Very high | 43 Ų | 43 | 33.9 Ų | 33.9 | 20% | 0.201 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 126.6 | 175.1 | -165.4 | -170.7 | 102.9 | 0 | 0 | 110.6 | V183 P197 T215 I216 L217 | E127-V183 CarbonylContact C-O 3.52Å; E127-V183 WeakPolarHBondContact CA-O 3.16Å; E127-P197 HydrophobicContact CB-CG 3.81Å; E127-P197 HydrophobicContact CG-CG 3.98Å; E127-P197 VanDerWaalsContact OE2-CG 3.25Å; E127-P197 WeakPolarHBondContact OE2-CG 3.46Å; E127-T215 PolarHBondContact N-O 3.12Å; E127-I216 HydrophobicContact CB-CB 4.32Å; E127-I216 HydrophobicContact CB-CG1 3.99Å; E127-I216 HydrophobicContact CB-CG2 4.27Å; E127-I216 WeakPolarHBondContact OE1-CG2 3.33Å; E127-L217 PolarHBondContact O-N 3.31Å |
| 128 | V | 97.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140.5 | -174.9 | 174.6 | 0 | 0 | 0 | 0 | 109.4 | I106 L136 I182 V183 A184 E185 | I106-V128 HydrophobicContact CD1-CG1 3.44Å; I106-V128 VanDerWaalsContact CD1-CG1 3.44Å; I106-V128 HydrophobicContact CG1-CG1 4.13Å; I106-V128 HydrophobicContact CG2-CG2 3.99Å; V128-L136 HydrophobicContact CG1-CB 3.71Å; V128-I182 HydrophobicContact CB-CG2 4.47Å; V128-I182 HydrophobicContact CG2-CG2 3.88Å; V128-V183 PolarHBondContact N-O 2.98Å; V128-A184 CarbonylContact O-C 3.55Å; V128-E185 PolarHBondContact O-N 3.36Å |
| 129 | M | 97.5 | Very high | 94 | Very high | 16 Ų | 16 | 30 Ų | 30 | 8% | 0.079 | 14% | 0.142 | C | C | . | . | trans | -69.1 | 167.6 | 177.6 | -74.1 | -172.5 | 113.9 | 0 | 0 | 111.4 | I86 L136 Q221 R222 | I86-M129 HydrophobicContact CD1-CB 4.09Å; I86-M129 HydrophobicContact CD1-SD 4.15Å; M129-L136 WeakPolarHBondContact O-CB 3.48Å; M129-L136 WeakPolarHBondContact O-CD1 3.42Å; M129-Q221 HydrophobicContact SD-CB 4.46Å; M129-R222 HydrophobicContact SD-CG 4.21Å | ||
| 130 | G | 92.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | 158 | 3.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | D87 H132 C133 E185 | D87-G130 WeakPolarHBondContact OD1-CA 3.49Å; G130-H132 PolarHBondContact O-N 3.14Å; G130-C133 CarbonylContact C-O 3.12Å; G130-C133 WeakPolarHBondContact CA-O 3.43Å; G130-C133 WeakPolarHBondContact O-CA 3.22Å; G130-C133 WeakPolarHBondContact O-CB 3.32Å; G130-C133 PolarHBondContact O-N 3.08Å; G130-E185 PolarHBondContact N-OE1 3.24Å | ||
| 131 | R | 91.1 | Very high | 95.1 | Very high | 107 Ų | 107 | 20.8 Ų | 20.8 | 40% | 0.404 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | -104.3 | -172.6 | -168.2 | -166.4 | -55.9 | 140.5 | 19.6 | 111.1 | D87 D89 E185 G186 | D87-R131 IonicContact OD2-CZ 2.68Å; D87-R131 IonicContact OD2-NE 3.72Å; D87-R131 IonicContact OD2-NH2 3.6Å; D87-R131 PolarHBondContact OD2-NH2 2.64Å; D89-R131 IonicContact OD2-CZ 3.4Å; D89-R131 IonicContact OD2-NH1 3.9Å; D89-R131 PolarHBondContact OD2-NH1 3.41Å; D89-R131 IonicContact OD2-NH2 3.67Å; R131-E185 VanDerWaalsContact CA-OE1 3.26Å; R131-E185 WeakPolarHBondContact CA-OE1 3.39Å; R131-E185 PolarHBondContact N-OE1 2.98Å; R131-G186 VanDerWaalsContact O-CA 3.29Å; R131-G186 WeakPolarHBondContact O-CA 3.48Å; R131-G186 PolarHBondContact O-N 3.36Å |
| 132 | H | 89.1 | Confident | 95.5 | Very high | 104 Ų | 104 | 17 Ų | 17 | 48% | 0.481 | 7% | 0.073 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 17.6 | 177.7 | -55.4 | -53.7 | 0 | 0 | 0 | 111.3 | G130 R295 | G130-H132 PolarHBondContact O-N 3.14Å; H132-R295 PolarHBondContact O-NH2 3.32Å |
| 133 | C | 94.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.007 | 6% | 0.063 | C | C | . | . | trans | -118.7 | 130.1 | 177.2 | -170.2 | 0 | 0 | 0 | 0 | 111.7 | D89 G130 Y135 E153 R295 | D89-C133 HydrophobicContact CB-CB 3.86Å; G130-C133 CarbonylContact C-O 3.12Å; G130-C133 WeakPolarHBondContact CA-O 3.43Å; G130-C133 WeakPolarHBondContact O-CA 3.22Å; G130-C133 WeakPolarHBondContact O-CB 3.32Å; G130-C133 PolarHBondContact O-N 3.08Å; C133-Y135 VanDerWaalsContact C-N 3.32Å; C133-Y135 PolarHBondContact SG-N 3.36Å; C133-E153 VanDerWaalsContact CA-OE1 3.24Å; C133-E153 WeakPolarHBondContact CA-OE1 2.98Å; C133-E153 PolarHBondContact SG-OE1 3.14Å; C133-E153 VanDerWaalsContact SG-OE1 3.36Å; C133-R295 VanDerWaalsContact SG-CZ 3.56Å | ||
| 134 | G | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.067 | C | C | . | . | trans | -84.9 | 5.3 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | L136 A137 L138 E153 | G134-L136 PolarHBondContact O-N 3.45Å; G134-A137 PolarHBondContact O-N 3.47Å; G134-L138 WeakPolarHBondContact O-CB 3.41Å; G134-L138 PolarHBondContact O-N 2.98Å; G134-E153 VanDerWaalsContact CA-OE2 3.28Å; G134-E153 WeakPolarHBondContact CA-OE2 3.47Å; G134-E153 VanDerWaalsContact N-CD 3.34Å; G134-E153 PolarHBondContact N-OE1 3.18Å; G134-E153 PolarHBondContact N-OE2 3.24Å | ||
| 135 | Y | 96.8 | Very high | 95.4 | Very high | 9 Ų | 9 | 14.8 Ų | 14.8 | 4% | 0.035 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -57.7 | -49.1 | -171.1 | -174 | -87.5 | 0 | 0 | 0 | 112.4 | N88 M95 T99 C133 A137 L138 V139 F299 | N88-Y135 HydrophobicContact CB-CD1 3.75Å; N88-Y135 HydrophobicContact CB-CD2 4.47Å; N88-Y135 HydrophobicContact CB-CE1 4.27Å; N88-Y135 HydrophobicContact CB-CG 3.87Å; N88-Y135 WeakPolarHBondContact ND2-CD2 3.39Å; N88-Y135 WeakPolarHBondContact ND2-CE1 3.4Å; N88-Y135 VanDerWaalsContact ND2-CE2 3.26Å; N88-Y135 WeakPolarHBondContact ND2-CE2 3.21Å; N88-Y135 VanDerWaalsContact ND2-CZ 3.3Å; M95-Y135 HydrophobicContact SD-CE1 4.07Å; T99-Y135 HydrophobicContact CG2-CD1 3.83Å; T99-Y135 HydrophobicContact CG2-CE1 3.7Å; C133-Y135 VanDerWaalsContact C-N 3.32Å; C133-Y135 PolarHBondContact SG-N 3.36Å; Y135-A137 PolarHBondContact O-N 3.41Å; Y135-L138 PolarHBondContact O-N 3.47Å; Y135-V139 HydrophobicContact CD1-CG2 4.07Å; Y135-V139 HydrophobicContact CD2-CG2 4.5Å; Y135-V139 HydrophobicContact CE1-CG2 3.69Å; Y135-V139 HydrophobicContact CE2-CG2 4.18Å; Y135-V139 HydrophobicContact CG-CG2 4.45Å; Y135-V139 WeakPolarHBondContact O-CB 3.42Å; Y135-V139 WeakPolarHBondContact O-CG2 3.42Å; Y135-V139 PolarHBondContact O-N 3.09Å; Y135-F299 AromaticContact CD2-CD2 3.88Å; Y135-F299 HydrophobicContact CD2-CD2 3.88Å |
| 136 | L | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 178.3 | -71.8 | 179 | 0 | 0 | 0 | 111.6 | I86 T99 A102 L103 I106 V128 M129 G134 S140 | I86-L136 HydrophobicContact CB-CD1 4.45Å; I86-L136 HydrophobicContact CD1-CD1 4.27Å; I86-L136 HydrophobicContact CG1-CD1 4.38Å; I86-L136 WeakPolarHBondContact O-CD1 3.36Å; T99-L136 HydrophobicContact CG2-CD2 3.95Å; A102-L136 HydrophobicContact CB-CD1 4.31Å; A102-L136 HydrophobicContact CB-CD2 4.08Å; L103-L136 HydrophobicContact CD2-CD2 3.7Å; L103-L136 HydrophobicContact CG-CD2 3.73Å; I106-L136 HydrophobicContact CD1-CB 4.05Å; I106-L136 HydrophobicContact CD1-CD1 4.4Å; I106-L136 HydrophobicContact CD1-CD2 4.18Å; I106-L136 HydrophobicContact CD1-CG 4.45Å; V128-L136 HydrophobicContact CG1-CB 3.71Å; M129-L136 WeakPolarHBondContact O-CB 3.48Å; M129-L136 WeakPolarHBondContact O-CD1 3.42Å; G134-L136 PolarHBondContact O-N 3.45Å; L136-S140 WeakPolarHBondContact O-CB 3.46Å; L136-S140 PolarHBondContact O-N 3.29Å; L136-S140 PolarHBondContact O-OG 2.77Å |
| 137 | A | 97.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.008 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64 | -46 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G134 Y135 S140 A141 V149 I151 I182 A184 | G134-A137 PolarHBondContact O-N 3.47Å; Y135-A137 PolarHBondContact O-N 3.41Å; A137-S140 PolarHBondContact O-N 3.41Å; A137-A141 VanDerWaalsContact O-CB 3.29Å; A137-A141 WeakPolarHBondContact O-CB 3.31Å; A137-A141 PolarHBondContact O-N 2.94Å; A137-V149 HydrophobicContact CB-CG2 4.09Å; A137-I151 HydrophobicContact CB-CG2 3.93Å; A137-I182 HydrophobicContact CB-CG2 3.8Å; A137-A184 HydrophobicContact CB-CB 3.8Å |
| 138 | L | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.7 | -49.4 | -179.8 | 176.6 | 60 | 0 | 0 | 0 | 112.2 | G134 Y135 S140 A141 L142 I151 F299 N302 L303 Y306 | G134-L138 WeakPolarHBondContact O-CB 3.41Å; G134-L138 PolarHBondContact O-N 2.98Å; Y135-L138 PolarHBondContact O-N 3.47Å; L138-S140 VanDerWaalsContact C-N 3.34Å; L138-A141 WeakPolarHBondContact O-CB 3.5Å; L138-A141 PolarHBondContact O-N 2.95Å; L138-L142 PolarHBondContact O-N 2.88Å; L138-L142 VanDerWaalsContact O-N 3.11Å; L138-I151 HydrophobicContact CB-CG2 4.34Å; L138-F299 HydrophobicContact CD2-CD1 4.31Å; L138-F299 HydrophobicContact CD2-CE1 4.03Å; L138-F299 HydrophobicContact CD2-CE2 4.38Å; L138-F299 HydrophobicContact CD2-CZ 4.06Å; L138-N302 HydrophobicContact CD2-CB 3.67Å; L138-N302 HydrophobicContact CG-CB 3.99Å; L138-L303 HydrophobicContact CD1-CD1 4.15Å; L138-L303 HydrophobicContact CD2-CB 4.12Å; L138-L303 HydrophobicContact CD2-CD1 4.41Å; L138-Y306 HydrophobicContact CD1-CD1 4.46Å; L138-Y306 HydrophobicContact CD1-CG 3.98Å |
| 139 | V | 97 | Very high | 94.6 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.012 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.1 | -39.2 | 179.1 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | L103 Y135 A141 L142 A143 N302 N596 | L103-V139 HydrophobicContact CD1-CB 4.27Å; L103-V139 HydrophobicContact CD1-CG1 3.67Å; L103-V139 HydrophobicContact CD2-CB 3.94Å; L103-V139 HydrophobicContact CD2-CG1 3.89Å; L103-V139 HydrophobicContact CG-CG1 4.43Å; Y135-V139 HydrophobicContact CD1-CG2 4.07Å; Y135-V139 HydrophobicContact CD2-CG2 4.5Å; Y135-V139 HydrophobicContact CE1-CG2 3.69Å; Y135-V139 HydrophobicContact CE2-CG2 4.18Å; Y135-V139 HydrophobicContact CG-CG2 4.45Å; Y135-V139 WeakPolarHBondContact O-CB 3.42Å; Y135-V139 WeakPolarHBondContact O-CG2 3.42Å; Y135-V139 PolarHBondContact O-N 3.09Å; V139-A141 VanDerWaalsContact C-N 3.33Å; V139-A141 PolarHBondContact O-N 3.15Å; V139-L142 PolarHBondContact O-N 3.4Å; V139-A143 VanDerWaalsContact O-CB 3.28Å; V139-A143 WeakPolarHBondContact O-CB 3.49Å; V139-A143 PolarHBondContact O-N 3.22Å; V139-N302 WeakPolarHBondContact CG2-ND2 3.44Å; V139-N596 HydrophobicContact CG1-CB 4.15Å |
| 140 | S | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 175 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | I106 L136 A137 L138 L142 A143 C144 | I106-S140 VanDerWaalsContact CG2-OG 3.29Å; I106-S140 WeakPolarHBondContact CG2-OG 3.05Å; L136-S140 WeakPolarHBondContact O-CB 3.46Å; L136-S140 PolarHBondContact O-N 3.29Å; L136-S140 PolarHBondContact O-OG 2.77Å; A137-S140 PolarHBondContact O-N 3.41Å; L138-S140 VanDerWaalsContact C-N 3.34Å; S140-L142 PolarHBondContact O-N 3.12Å; S140-A143 PolarHBondContact O-N 3.46Å; S140-C144 PolarHBondContact O-N 3.35Å; S140-C144 PolarHBondContact O-SG 3.31Å |
| 141 | A | 95.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 15.5 Ų | 15.5 | 2% | 0.017 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A137 L138 V139 G145 A146 V149 I182 Y306 | A137-A141 VanDerWaalsContact O-CB 3.29Å; A137-A141 WeakPolarHBondContact O-CB 3.31Å; A137-A141 PolarHBondContact O-N 2.94Å; L138-A141 WeakPolarHBondContact O-CB 3.5Å; L138-A141 PolarHBondContact O-N 2.95Å; V139-A141 VanDerWaalsContact C-N 3.33Å; V139-A141 PolarHBondContact O-N 3.15Å; A141-G145 CarbonylContact O-C 3.54Å; A141-G145 WeakPolarHBondContact O-CA 3.47Å; A141-G145 PolarHBondContact O-N 2.89Å; A141-A146 HydrophobicContact CB-CB 3.8Å; A141-A146 PolarHBondContact O-N 3.14Å; A141-V149 HydrophobicContact CB-CB 3.81Å; A141-V149 HydrophobicContact CB-CG2 3.82Å; A141-I182 HydrophobicContact CB-CB 4.48Å; A141-I182 HydrophobicContact CB-CG1 4.25Å; A141-Y306 HydrophobicContact CB-CD2 4.36Å; A141-Y306 HydrophobicContact CB-CE2 4.26Å |
| 142 | L | 95.1 | Very high | 95 | Very high | 4 Ų | 4 | 10.6 Ų | 10.6 | 2% | 0.021 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64.1 | -46.9 | 173.4 | -71.5 | 171.6 | 0 | 0 | 0 | 111.7 | L138 V139 S140 C144 G145 N302 T305 Y306 L309 N596 T599 | L138-L142 PolarHBondContact O-N 2.88Å; L138-L142 VanDerWaalsContact O-N 3.11Å; V139-L142 PolarHBondContact O-N 3.4Å; S140-L142 PolarHBondContact O-N 3.12Å; L142-C144 PolarHBondContact O-N 3.46Å; L142-G145 PolarHBondContact O-N 3.03Å; L142-N302 HydrophobicContact CD1-CB 3.91Å; L142-T305 HydrophobicContact CD2-CG2 4.11Å; L142-Y306 HydrophobicContact CD2-CD2 4.48Å; L142-L309 HydrophobicContact CD2-CD1 4.16Å; L142-N596 WeakPolarHBondContact CD1-OD1 3.43Å; L142-T599 HydrophobicContact CD2-CG2 4.27Å |
| 143 | A | 95.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -70.9 | -25.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | I107 V139 S140 T382 R595 | I107-A143 HydrophobicContact CD1-CB 3.75Å; I107-A143 HydrophobicContact CG1-CB 4.3Å; V139-A143 VanDerWaalsContact O-CB 3.28Å; V139-A143 WeakPolarHBondContact O-CB 3.49Å; V139-A143 PolarHBondContact O-N 3.22Å; S140-A143 PolarHBondContact O-N 3.46Å; A143-T382 WeakPolarHBondContact O-CG2 3.44Å; A143-R595 HydrophobicContact CB-CB 3.87Å; A143-R595 WeakPolarHBondContact O-CD 3.5Å |
| 144 | C | 92.6 | Very high | 95.3 | Very high | 10 Ų | 10 | 7.7 Ų | 7.7 | 7% | 0.068 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -100.7 | -10.2 | 173.1 | 73.3 | 0 | 0 | 0 | 0 | 113.9 | I107 V110 S140 L142 | I107-C144 HydrophobicContact CD1-CB 4.28Å; V110-C144 HydrophobicContact CG1-CB 3.57Å; S140-C144 PolarHBondContact O-N 3.35Å; S140-C144 PolarHBondContact O-SG 3.31Å; L142-C144 PolarHBondContact O-N 3.46Å |
| 145 | G | 89.8 | Confident | 95.2 | Very high | 10 Ų | 10 | 8.5 Ų | 8.5 | 10% | 0.103 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 45.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A141 L142 | A141-G145 CarbonylContact O-C 3.54Å; A141-G145 WeakPolarHBondContact O-CA 3.47Å; A141-G145 PolarHBondContact O-N 2.89Å; L142-G145 PolarHBondContact O-N 3.03Å |
| 146 | A | 92.3 | Very high | 95 | Very high | 14 Ų | 14 | 9 Ų | 9 | 12% | 0.116 | 5% | 0.051 | C | C | . | . | trans | -56.9 | 150 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | A141 I180 I182 | A141-A146 HydrophobicContact CB-CB 3.8Å; A141-A146 PolarHBondContact O-N 3.14Å; A146-I180 HydrophobicContact CB-CG2 4.22Å; A146-I182 HydrophobicContact CB-CG1 3.8Å | ||
| 147 | D | 91.1 | Very high | 94.6 | Very high | 8 Ų | 8 | 16.7 Ų | 16.7 | 4% | 0.043 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -79.6 | -32.3 | 177.6 | -63 | -79 | 0 | 0 | 0 | 111.8 | K167 L168 N171 K176 N179 I180 | D147-K167 WeakPolarHBondContact O-CE 3.34Å; D147-K167 PolarHBondContact O-NZ 3.29Å; D147-L168 HydrophobicContact CB-CD2 3.86Å; D147-N171 PolarHBondContact OD1-ND2 2.67Å; D147-K176 IonicContact OD1-NZ 3.71Å; D147-K176 PolarHBondContact OD1-NZ 3.07Å; D147-K176 IonicContact OD2-NZ 2.97Å; D147-K176 PolarHBondContact OD2-NZ 3.34Å; D147-N179 WeakPolarHBondContact OD2-CA 3.4Å; D147-I180 PolarHBondContact N-O 3.06Å; D147-I180 PolarHBondContact OD2-N 3.06Å |
| 148 | W | 94 | Very high | 94.3 | Very high | 48 Ų | 48 | 22.3 Ų | 22.3 | 18% | 0.182 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 149.9 | 176.4 | -153.7 | -83.7 | 0 | 0 | 0 | 111.3 | F150 N163 M164 K167 I181 I182 Y306 | W148-F150 AromaticContact CD1-CD2 3.74Å; W148-F150 AromaticContact CD1-CE1 3.99Å; W148-F150 AromaticContact CD1-CE2 3.27Å; W148-F150 AromaticContact CD1-CZ 3.39Å; W148-F150 HydrophobicContact CG-CE2 4.19Å; W148-F150 HydrophobicContact CG-CZ 4.36Å; W148-F150 AromaticContact NE1-CE1 3.64Å; W148-F150 AromaticContact NE1-CE2 3.81Å; W148-F150 AromaticContact NE1-CZ 3.4Å; W148-N163 HydrophobicContact CH2-CB 4.42Å; W148-M164 HydrophobicContact CB-CG 4.42Å; W148-M164 HydrophobicContact CD2-CB 4.17Å; W148-M164 HydrophobicContact CD2-CG 3.9Å; W148-M164 HydrophobicContact CE3-CB 4.02Å; W148-M164 HydrophobicContact CE3-CG 3.91Å; W148-M164 HydrophobicContact CG-CG 4.13Å; W148-M164 HydrophobicContact CG-SD 4.28Å; W148-M164 HydrophobicContact CH2-CB 4.31Å; W148-M164 HydrophobicContact CZ2-CB 4.45Å; W148-M164 HydrophobicContact CZ3-CB 4.1Å; W148-M164 HydrophobicContact CZ3-CG 4.48Å; W148-K167 HydrophobicContact CE3-CD 3.77Å; W148-K167 HydrophobicContact CZ3-CD 3.76Å; W148-I181 HydrophobicContact CB-CG1 4.36Å; W148-I181 HydrophobicContact CB-CG2 4.3Å; W148-I181 WeakPolarHBondContact O-CA 3.3Å; W148-I182 PolarHBondContact O-N 3.44Å; W148-Y306 WeakPolarHBondContact CA-OH 3.45Å |
| 149 | V | 96.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 136.3 | 172.8 | 76.7 | 0 | 0 | 0 | 0 | 109.5 | A137 A141 I151 I182 Y306 | A137-V149 HydrophobicContact CB-CG2 4.09Å; A141-V149 HydrophobicContact CB-CB 3.81Å; A141-V149 HydrophobicContact CB-CG2 3.82Å; V149-I151 HydrophobicContact CG2-CG2 3.9Å; V149-I182 CarbonylContact C-O 3.5Å; V149-I182 VanDerWaalsContact CA-O 3.27Å; V149-I182 WeakPolarHBondContact CA-O 3.36Å; V149-I182 HydrophobicContact CG2-CB 4.1Å; V149-I182 HydrophobicContact CG2-CG2 4.24Å; V149-Y306 HydrophobicContact CB-CE2 4.09Å; V149-Y306 HydrophobicContact CG1-CD1 3.93Å; V149-Y306 HydrophobicContact CG1-CD2 4.19Å; V149-Y306 HydrophobicContact CG1-CE1 3.4Å; V149-Y306 VanDerWaalsContact CG1-CE1 3.4Å; V149-Y306 HydrophobicContact CG1-CE2 3.69Å; V149-Y306 HydrophobicContact CG1-CG 4.3Å; V149-Y306 PolarHBondContact N-OH 2.99Å |
| 150 | F | 97.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.009 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 119.3 | 168.4 | -65.3 | -89 | 0 | 0 | 0 | 108.9 | W148 P156 W160 M164 I181 I182 V183 A184 A187 I195 I200 | W148-F150 AromaticContact CD1-CD2 3.74Å; W148-F150 AromaticContact CD1-CE1 3.99Å; W148-F150 AromaticContact CD1-CE2 3.27Å; W148-F150 AromaticContact CD1-CZ 3.39Å; W148-F150 HydrophobicContact CG-CE2 4.19Å; W148-F150 HydrophobicContact CG-CZ 4.36Å; W148-F150 AromaticContact NE1-CE1 3.64Å; W148-F150 AromaticContact NE1-CE2 3.81Å; W148-F150 AromaticContact NE1-CZ 3.4Å; F150-P156 HydrophobicContact CD1-CG 4.15Å; F150-P156 HydrophobicContact CE1-CG 4.03Å; F150-W160 HydrophobicContact CE1-CD2 4.08Å; F150-W160 AromaticContact CE1-CE3 3.64Å; F150-W160 HydrophobicContact CE1-CE3 3.64Å; F150-W160 AromaticContact CE1-CH2 3.83Å; F150-W160 HydrophobicContact CE1-CH2 3.83Å; F150-W160 HydrophobicContact CE1-CZ2 4.22Å; F150-W160 AromaticContact CE1-CZ3 3.55Å; F150-W160 HydrophobicContact CE1-CZ3 3.55Å; F150-W160 HydrophobicContact CE2-CZ3 4.36Å; F150-W160 HydrophobicContact CZ-CD2 4.46Å; F150-W160 AromaticContact CZ-CE3 3.58Å; F150-W160 HydrophobicContact CZ-CE3 3.58Å; F150-W160 AromaticContact CZ-CH2 3.79Å; F150-W160 HydrophobicContact CZ-CH2 3.79Å; F150-W160 AromaticContact CZ-CZ3 3.23Å; F150-W160 HydrophobicContact CZ-CZ3 3.23Å; F150-M164 HydrophobicContact CE2-SD 3.98Å; F150-M164 HydrophobicContact CZ-SD 3.81Å; F150-I181 HydrophobicContact CD2-CG2 3.99Å; F150-I181 HydrophobicContact CE2-CG2 3.74Å; F150-I182 PolarHBondContact N-O 3.2Å; F150-V183 HydrophobicContact CB-CG1 4.24Å; F150-V183 HydrophobicContact CD2-CG2 4.07Å; F150-A184 WeakPolarHBondContact O-CB 3.3Å; F150-A184 PolarHBondContact O-N 2.93Å; F150-A187 HydrophobicContact CB-CB 3.8Å; F150-I195 HydrophobicContact CD1-CD1 3.72Å; F150-I195 HydrophobicContact CD1-CG2 4.11Å; F150-I195 HydrophobicContact CE1-CD1 4.07Å; F150-I195 HydrophobicContact CE1-CG2 4.32Å; F150-I195 HydrophobicContact CG-CG2 4.42Å; F150-I200 HydrophobicContact CD2-CD1 3.61Å; F150-I200 HydrophobicContact CE2-CD1 3.5Å; F150-I200 VanDerWaalsContact CE2-CD1 3.5Å; F150-I200 HydrophobicContact CE2-CG1 4.15Å; F150-I200 HydrophobicContact CG-CD1 4.31Å; F150-I200 HydrophobicContact CZ-CD1 4.13Å; F150-I200 HydrophobicContact CZ-CG1 4.4Å |
| 151 | I | 97.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -130.4 | 146.3 | 176.5 | 58.5 | 172.6 | 0 | 0 | 0 | 109.6 | A137 L138 V149 E153 M154 F299 L303 | A137-I151 HydrophobicContact CB-CG2 3.93Å; L138-I151 HydrophobicContact CB-CG2 4.34Å; V149-I151 HydrophobicContact CG2-CG2 3.9Å; I151-E153 VanDerWaalsContact C-N 3.26Å; I151-E153 HydrophobicContact CD1-CB 4.49Å; I151-E153 PolarHBondContact O-N 3.2Å; I151-M154 HydrophobicContact CD1-CB 3.9Å; I151-M154 HydrophobicContact CG1-CB 3.81Å; I151-M154 CarbonylContact O-C 3.46Å; I151-M154 PolarHBondContact O-N 3.24Å; I151-F299 HydrophobicContact CD1-CE1 4.32Å; I151-F299 HydrophobicContact CD1-CZ 4.08Å; I151-L303 HydrophobicContact CD1-CD1 3.74Å |
| 152 | P | 96.1 | Very high | 93.3 | Very high | 4 Ų | 4 | 31 Ų | 31 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -32.6 | 178.5 | 23.3 | -30.6 | 0 | 0 | 0 | 112.3 | M154 P155 G186 I188 M283 | P152-M154 PolarHBondContact O-N 3.43Å; P152-P155 VanDerWaalsContact O-CD 3.24Å; P152-P155 WeakPolarHBondContact O-CD 3.26Å; P152-P155 VanDerWaalsContact O-CG 3.29Å; P152-P155 WeakPolarHBondContact O-CG 3.48Å; P152-G186 WeakPolarHBondContact CB-O 3.39Å; P152-I188 HydrophobicContact CB-CG1 4.38Å; P152-M283 HydrophobicContact CB-CE 3.64Å; P152-M283 WeakPolarHBondContact O-CE 3.47Å |
| 153 | E | 95.3 | Very high | 93 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -9.9 | -178 | -60.7 | 90.3 | 162.8 | 0 | 0 | 114.3 | C133 G134 I151 M283 V292 R295 F299 | C133-E153 VanDerWaalsContact CA-OE1 3.24Å; C133-E153 WeakPolarHBondContact CA-OE1 2.98Å; C133-E153 PolarHBondContact SG-OE1 3.14Å; C133-E153 VanDerWaalsContact SG-OE1 3.36Å; G134-E153 VanDerWaalsContact CA-OE2 3.28Å; G134-E153 WeakPolarHBondContact CA-OE2 3.47Å; G134-E153 VanDerWaalsContact N-CD 3.34Å; G134-E153 PolarHBondContact N-OE1 3.18Å; G134-E153 PolarHBondContact N-OE2 3.24Å; I151-E153 VanDerWaalsContact C-N 3.26Å; I151-E153 HydrophobicContact CD1-CB 4.49Å; I151-E153 PolarHBondContact O-N 3.2Å; E153-M283 HydrophobicContact CG-SD 4.32Å; E153-V292 HydrophobicContact CB-CG2 3.92Å; E153-V292 WeakPolarHBondContact O-CG2 3.42Å; E153-R295 HydrophobicContact CG-CG 4.37Å; E153-R295 IonicContact OE1-CZ 3.68Å; E153-R295 IonicContact OE1-NE 2.66Å; E153-R295 PolarHBondContact OE1-NE 3.28Å; E153-R295 IonicContact OE1-NH2 3.49Å; E153-R295 PolarHBondContact OE1-NH2 3.07Å; E153-F299 HydrophobicContact CB-CE1 3.91Å; E153-F299 HydrophobicContact CB-CZ 3.84Å; E153-F299 VanDerWaalsContact CD-CZ 3.45Å; E153-F299 HydrophobicContact CG-CE1 4.16Å; E153-F299 HydrophobicContact CG-CE2 4.46Å; E153-F299 HydrophobicContact CG-CZ 3.78Å |
| 154 | M | 94.6 | Very high | 92.8 | Very high | 43 Ų | 43 | 35.2 Ų | 35.2 | 21% | 0.212 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -140.4 | 71.4 | 174.2 | -173.9 | -172.3 | 69.6 | 0 | 0 | 109 | I151 P152 L303 Y306 R307 | I151-M154 HydrophobicContact CD1-CB 3.9Å; I151-M154 HydrophobicContact CG1-CB 3.81Å; I151-M154 CarbonylContact O-C 3.46Å; I151-M154 PolarHBondContact O-N 3.24Å; P152-M154 PolarHBondContact O-N 3.43Å; M154-L303 HydrophobicContact CB-CD1 4.31Å; M154-L303 HydrophobicContact CB-CD2 4.38Å; M154-L303 HydrophobicContact CE-CD1 4.12Å; M154-L303 HydrophobicContact SD-CD1 3.68Å; M154-L303 HydrophobicContact SD-CD2 4.47Å; M154-L303 HydrophobicContact SD-CG 4.33Å; M154-Y306 HydrophobicContact CE-CD1 4.46Å; M154-Y306 HydrophobicContact CE-CE1 4.17Å; M154-R307 HydrophobicContact SD-CG 4.28Å; M154-R307 PolarHBondContact SD-NE 3.28Å; M154-R307 PolarHBondContact SD-NH2 2.94Å |
| 155 | P | 93.9 | Very high | 92.8 | Very high | 17 Ų | 17 | 35 Ų | 35 | 11% | 0.11 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -59.2 | 139.5 | 176.4 | -21.7 | 35.6 | 0 | 0 | 0 | 109.9 | P152 I188 F288 | P152-P155 VanDerWaalsContact O-CD 3.24Å; P152-P155 WeakPolarHBondContact O-CD 3.26Å; P152-P155 VanDerWaalsContact O-CG 3.29Å; P152-P155 WeakPolarHBondContact O-CG 3.48Å; P155-I188 WeakPolarHBondContact CB-O 3.36Å; P155-I188 HydrophobicContact CG-CD1 4.42Å; P155-I188 HydrophobicContact CG-CG1 4.13Å; P155-F288 HydrophobicContact CG-CD1 3.76Å; P155-F288 HydrophobicContact CG-CD2 4.12Å; P155-F288 HydrophobicContact CG-CE1 3.52Å; P155-F288 HydrophobicContact CG-CE2 3.88Å; P155-F288 HydrophobicContact CG-CG 4.07Å; P155-F288 HydrophobicContact CG-CZ 3.59Å |
| 156 | P | 92.3 | Very high | 92.8 | Very high | 18 Ų | 18 | 39.9 Ų | 39.9 | 12% | 0.117 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 147.3 | 176.7 | 28.9 | -35.8 | 0 | 0 | 0 | 111.5 | F150 W160 I188 I195 | F150-P156 HydrophobicContact CD1-CG 4.15Å; F150-P156 HydrophobicContact CE1-CG 4.03Å; P156-W160 HydrophobicContact CB-CB 3.53Å; P156-W160 HydrophobicContact CB-CD2 4.12Å; P156-W160 HydrophobicContact CB-CG 3.47Å; P156-W160 VanDerWaalsContact CB-CG 3.47Å; P156-W160 HydrophobicContact CG-CB 4.43Å; P156-W160 HydrophobicContact CG-CD2 4.12Å; P156-W160 HydrophobicContact CG-CG 3.84Å; P156-I188 WeakPolarHBondContact CD-O 3.43Å; P156-I195 HydrophobicContact CG-CD1 3.51Å |
| 157 | E | 89.3 | Confident | 92.5 | Very high | 163 Ų | 163 | 40.4 Ų | 40.4 | 76% | 0.762 | 21% | 0.209 | S | C | * | . | P | Polyproline II helix | trans | -73.5 | 163.3 | 172.5 | -64 | -178.3 | 179.4 | 0 | 0 | 111.7 | G159 W160 | E157-G159 PolarHBondContact O-N 2.83Å; E157-W160 VanDerWaalsContact O-CB 3.31Å; E157-W160 WeakPolarHBondContact O-CB 3.47Å; E157-W160 VanDerWaalsContact O-CD1 3.24Å; E157-W160 PolarHBondContact O-N 3.31Å |
| 158 | D | 90.6 | Very high | 92.5 | Very high | 118 Ų | 118 | 40 Ų | 40 | 63% | 0.631 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 138.1 | 176.2 | -68.8 | -26.8 | 0 | 0 | 0 | 111.1 | W160 C190 H191 | D158-W160 VanDerWaalsContact C-N 3.35Å; D158-C190 PolarHBondContact OD1-SG 3.06Å; D158-H191 IonicContact OD1-CD2 3.62Å; D158-H191 IonicContact OD1-CE1 3.62Å; D158-H191 IonicContact OD1-NE2 3.94Å; D158-H191 PolarHBondContact OD1-NE2 3.42Å; D158-H191 IonicContact OD2-NE2 3.76Å |
| 159 | G | 89.3 | Confident | 92.2 | Very high | 30 Ų | 30 | 40.4 Ų | 40.4 | 31% | 0.309 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 10.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | E157 E161 D162 N163 | E157-G159 PolarHBondContact O-N 2.83Å; G159-E161 PolarHBondContact O-N 3.26Å; G159-D162 PolarHBondContact O-N 3.06Å; G159-N163 PolarHBondContact O-N 3.28Å; G159-N163 PolarHBondContact O-ND2 3.39Å |
| 160 | W | 91.7 | Very high | 91.6 | Very high | 10 Ų | 10 | 43.9 Ų | 43.9 | 4% | 0.038 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.8 | -27.2 | 173 | 69.9 | -90.1 | 0 | 0 | 0 | 113.2 | F150 P156 E157 D158 D162 N163 M164 I195 Y199 I200 L203 | F150-W160 HydrophobicContact CE1-CD2 4.08Å; F150-W160 AromaticContact CE1-CE3 3.64Å; F150-W160 HydrophobicContact CE1-CE3 3.64Å; F150-W160 AromaticContact CE1-CH2 3.83Å; F150-W160 HydrophobicContact CE1-CH2 3.83Å; F150-W160 HydrophobicContact CE1-CZ2 4.22Å; F150-W160 AromaticContact CE1-CZ3 3.55Å; F150-W160 HydrophobicContact CE1-CZ3 3.55Å; F150-W160 HydrophobicContact CE2-CZ3 4.36Å; F150-W160 HydrophobicContact CZ-CD2 4.46Å; F150-W160 AromaticContact CZ-CE3 3.58Å; F150-W160 HydrophobicContact CZ-CE3 3.58Å; F150-W160 AromaticContact CZ-CH2 3.79Å; F150-W160 HydrophobicContact CZ-CH2 3.79Å; F150-W160 AromaticContact CZ-CZ3 3.23Å; F150-W160 HydrophobicContact CZ-CZ3 3.23Å; P156-W160 HydrophobicContact CB-CB 3.53Å; P156-W160 HydrophobicContact CB-CD2 4.12Å; P156-W160 HydrophobicContact CB-CG 3.47Å; P156-W160 VanDerWaalsContact CB-CG 3.47Å; P156-W160 HydrophobicContact CG-CB 4.43Å; P156-W160 HydrophobicContact CG-CD2 4.12Å; P156-W160 HydrophobicContact CG-CG 3.84Å; E157-W160 VanDerWaalsContact O-CB 3.31Å; E157-W160 WeakPolarHBondContact O-CB 3.47Å; E157-W160 VanDerWaalsContact O-CD1 3.24Å; E157-W160 PolarHBondContact O-N 3.31Å; D158-W160 VanDerWaalsContact C-N 3.35Å; W160-D162 VanDerWaalsContact C-N 3.32Å; W160-D162 PolarHBondContact O-N 2.88Å; W160-N163 PolarHBondContact O-N 3.49Å; W160-M164 HydrophobicContact CE3-CB 4.31Å; W160-M164 HydrophobicContact CE3-CE 4.46Å; W160-M164 HydrophobicContact CE3-SD 4.38Å; W160-M164 HydrophobicContact CZ3-CE 3.78Å; W160-M164 HydrophobicContact CZ3-SD 3.94Å; W160-M164 WeakPolarHBondContact O-CB 3.27Å; W160-M164 PolarHBondContact O-N 3.2Å; W160-I195 HydrophobicContact CH2-CG2 4.28Å; W160-I195 HydrophobicContact CZ2-CD1 4.2Å; W160-I195 HydrophobicContact CZ2-CG2 4.33Å; W160-Y199 HydrophobicContact CH2-CD1 4.4Å; W160-Y199 AromaticContact CH2-CE1 3.99Å; W160-Y199 HydrophobicContact CH2-CE1 3.99Å; W160-Y199 HydrophobicContact CZ2-CD1 4.38Å; W160-Y199 AromaticContact CZ2-CE1 3.71Å; W160-Y199 HydrophobicContact CZ2-CE1 3.71Å; W160-I200 HydrophobicContact CH2-CG1 4.17Å; W160-L203 HydrophobicContact CH2-CD2 4.14Å; W160-L203 HydrophobicContact CZ3-CD2 3.96Å |
| 161 | E | 93.8 | Very high | 91 | Very high | 47 Ų | 47 | 44.2 Ų | 44.2 | 22% | 0.22 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.1 | -47.9 | 179.3 | -64.8 | 88.3 | 165.7 | 0 | 0 | 110.5 | G159 C165 Y199 L203 | G159-E161 PolarHBondContact O-N 3.26Å; E161-C165 WeakPolarHBondContact O-CB 3.3Å; E161-C165 PolarHBondContact O-N 2.99Å; E161-C165 PolarHBondContact O-SG 3.41Å; E161-Y199 PolarHBondContact OE1-OH 2.91Å; E161-L203 HydrophobicContact CB-CD1 3.97Å; E161-L203 HydrophobicContact CB-CD2 3.67Å; E161-L203 HydrophobicContact CB-CG 4.44Å; E161-L203 HydrophobicContact CG-CD1 4.22Å; E161-L203 HydrophobicContact CG-CD2 3.72Å |
| 162 | D | 91.3 | Very high | 90.3 | Very high | 100 Ų | 100 | 46.6 Ų | 46.6 | 54% | 0.535 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -71.6 | -43.7 | 178.8 | -67.2 | -34.4 | 0 | 0 | 0 | 111.1 | G159 W160 M164 C165 Q166 H207 | G159-D162 PolarHBondContact O-N 3.06Å; W160-D162 VanDerWaalsContact C-N 3.32Å; W160-D162 PolarHBondContact O-N 2.88Å; D162-M164 VanDerWaalsContact C-N 3.33Å; D162-M164 PolarHBondContact O-N 3.45Å; D162-C165 PolarHBondContact O-N 3.23Å; D162-Q166 WeakPolarHBondContact O-CB 3.48Å; D162-Q166 PolarHBondContact O-N 3.02Å; D162-H207 IonicContact OD1-CE1 3.34Å; D162-H207 IonicContact OD1-ND1 2.82Å |
| 163 | N | 89.3 | Confident | 89.6 | Confident | 92 Ų | 92 | 50.1 Ų | 50.1 | 49% | 0.492 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 177.5 | -70.3 | -32.1 | 0 | 0 | 0 | 112 | W148 G159 W160 K167 | W148-N163 HydrophobicContact CH2-CB 4.42Å; G159-N163 PolarHBondContact O-N 3.28Å; G159-N163 PolarHBondContact O-ND2 3.39Å; W160-N163 PolarHBondContact O-N 3.49Å; N163-K167 WeakPolarHBondContact O-CB 3.39Å; N163-K167 PolarHBondContact O-N 3.05Å |
| 164 | M | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.3 | -47.7 | 175.6 | -176.5 | -171.2 | 67 | 0 | 0 | 110.1 | W148 F150 W160 D162 Q166 K167 L168 I181 I200 L203 V204 | W148-M164 HydrophobicContact CB-CG 4.42Å; W148-M164 HydrophobicContact CD2-CB 4.17Å; W148-M164 HydrophobicContact CD2-CG 3.9Å; W148-M164 HydrophobicContact CE3-CB 4.02Å; W148-M164 HydrophobicContact CE3-CG 3.91Å; W148-M164 HydrophobicContact CG-CG 4.13Å; W148-M164 HydrophobicContact CG-SD 4.28Å; W148-M164 HydrophobicContact CH2-CB 4.31Å; W148-M164 HydrophobicContact CZ2-CB 4.45Å; W148-M164 HydrophobicContact CZ3-CB 4.1Å; W148-M164 HydrophobicContact CZ3-CG 4.48Å; F150-M164 HydrophobicContact CE2-SD 3.98Å; F150-M164 HydrophobicContact CZ-SD 3.81Å; W160-M164 HydrophobicContact CE3-CB 4.31Å; W160-M164 HydrophobicContact CE3-CE 4.46Å; W160-M164 HydrophobicContact CE3-SD 4.38Å; W160-M164 HydrophobicContact CZ3-CE 3.78Å; W160-M164 HydrophobicContact CZ3-SD 3.94Å; W160-M164 WeakPolarHBondContact O-CB 3.27Å; W160-M164 PolarHBondContact O-N 3.2Å; D162-M164 VanDerWaalsContact C-N 3.33Å; D162-M164 PolarHBondContact O-N 3.45Å; M164-Q166 VanDerWaalsContact C-N 3.34Å; M164-Q166 PolarHBondContact O-N 3.49Å; M164-K167 PolarHBondContact O-N 3.47Å; M164-L168 HydrophobicContact CE-CD1 4.43Å; M164-L168 HydrophobicContact CG-CD1 3.96Å; M164-L168 HydrophobicContact CG-CG 4.28Å; M164-L168 WeakPolarHBondContact O-CB 3.43Å; M164-L168 VanDerWaalsContact O-CG 3.23Å; M164-L168 WeakPolarHBondContact O-CG 3.06Å; M164-L168 PolarHBondContact O-N 3.06Å; M164-L168 HydrophobicContact SD-CD1 4.45Å; M164-I181 HydrophobicContact SD-CD1 4.05Å; M164-I200 HydrophobicContact CE-CG2 4.18Å; M164-I200 HydrophobicContact SD-CG2 4.4Å; M164-L203 HydrophobicContact CE-CD2 3.65Å; M164-V204 HydrophobicContact CE-CG2 3.92Å |
| 165 | C | 91.4 | Very high | 87.7 | Confident | 7 Ų | 7 | 60 Ų | 60 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.9 | -43 | 179.9 | -73.2 | 0 | 0 | 0 | 0 | 112.2 | E161 D162 L168 S169 L208 | E161-C165 WeakPolarHBondContact O-CB 3.3Å; E161-C165 PolarHBondContact O-N 2.99Å; E161-C165 PolarHBondContact O-SG 3.41Å; D162-C165 PolarHBondContact O-N 3.23Å; C165-L168 PolarHBondContact O-N 2.94Å; C165-S169 WeakPolarHBondContact O-CB 3.44Å; C165-S169 PolarHBondContact O-N 2.99Å; C165-L208 HydrophobicContact CB-CD1 4.1Å; C165-L208 HydrophobicContact CB-CD2 4.03Å; C165-L208 HydrophobicContact CB-CG 4.06Å |
| 166 | Q | 89.8 | Confident | 87.1 | Confident | 111 Ų | 111 | 61.5 Ų | 61.5 | 52% | 0.519 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.7 | -52.5 | 174.5 | 179.4 | 178.2 | -8.6 | 0 | 0 | 110.8 | D162 M164 L168 S169 E170 | D162-Q166 WeakPolarHBondContact O-CB 3.48Å; D162-Q166 PolarHBondContact O-N 3.02Å; M164-Q166 VanDerWaalsContact C-N 3.34Å; M164-Q166 PolarHBondContact O-N 3.49Å; Q166-L168 VanDerWaalsContact C-N 3.33Å; Q166-L168 PolarHBondContact O-N 3.4Å; Q166-S169 WeakPolarHBondContact O-CB 3.42Å; Q166-S169 PolarHBondContact O-N 3.39Å; Q166-S169 VanDerWaalsContact O-N 3.12Å; Q166-E170 HydrophobicContact CG-CG 4.46Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.3Å; Q166-E170 PolarHBondContact NE2-OE1 3.09Å; Q166-E170 WeakPolarHBondContact O-CG 3.39Å; Q166-E170 PolarHBondContact O-N 3.31Å |
| 167 | K | 87 | Confident | 86.6 | Confident | 25 Ų | 25 | 66.6 Ų | 66.6 | 11% | 0.109 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.2 | -40.9 | 180 | -173.8 | -176.6 | -177.4 | -173 | 0 | 112.6 | D147 W148 N163 M164 S169 E170 N171 A310 | D147-K167 WeakPolarHBondContact O-CE 3.34Å; D147-K167 PolarHBondContact O-NZ 3.29Å; W148-K167 HydrophobicContact CE3-CD 3.77Å; W148-K167 HydrophobicContact CZ3-CD 3.76Å; N163-K167 WeakPolarHBondContact O-CB 3.39Å; N163-K167 PolarHBondContact O-N 3.05Å; M164-K167 PolarHBondContact O-N 3.47Å; K167-S169 VanDerWaalsContact C-N 3.33Å; K167-E170 PolarHBondContact O-N 3.25Å; K167-N171 WeakPolarHBondContact O-CB 3.43Å; K167-N171 PolarHBondContact O-N 3.14Å; K167-N171 PolarHBondContact O-ND2 3.34Å; K167-A310 WeakPolarHBondContact CE-O 3.41Å; K167-A310 PolarHBondContact NZ-O 3.09Å |
| 168 | L | 89.7 | Confident | 86.4 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 176.9 | -68.5 | 175.1 | 0 | 0 | 0 | 111.4 | D147 M164 C165 Q166 R172 N179 I181 V204 L208 F210 | D147-L168 HydrophobicContact CB-CD2 3.86Å; M164-L168 HydrophobicContact CE-CD1 4.43Å; M164-L168 HydrophobicContact CG-CD1 3.96Å; M164-L168 HydrophobicContact CG-CG 4.28Å; M164-L168 WeakPolarHBondContact O-CB 3.43Å; M164-L168 VanDerWaalsContact O-CG 3.23Å; M164-L168 WeakPolarHBondContact O-CG 3.06Å; M164-L168 PolarHBondContact O-N 3.06Å; M164-L168 HydrophobicContact SD-CD1 4.45Å; C165-L168 PolarHBondContact O-N 2.94Å; Q166-L168 VanDerWaalsContact C-N 3.33Å; Q166-L168 PolarHBondContact O-N 3.4Å; L168-R172 PolarHBondContact O-N 2.89Å; L168-R172 VanDerWaalsContact O-N 3.14Å; L168-N179 HydrophobicContact CD2-CB 3.86Å; L168-I181 HydrophobicContact CD1-CD1 3.94Å; L168-V204 HydrophobicContact CD1-CG2 3.89Å; L168-L208 HydrophobicContact CB-CD1 3.82Å; L168-L208 HydrophobicContact CD1-CD1 4.26Å; L168-F210 HydrophobicContact CB-CE2 4.38Å |
| 169 | S | 88.1 | Confident | 86.4 | Confident | 56 Ų | 56 | 53.7 Ų | 53.7 | 39% | 0.392 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 176 | -164.4 | 0 | 0 | 0 | 0 | 112.2 | C165 Q166 K167 N171 R172 A173 | C165-S169 WeakPolarHBondContact O-CB 3.44Å; C165-S169 PolarHBondContact O-N 2.99Å; Q166-S169 WeakPolarHBondContact O-CB 3.42Å; Q166-S169 PolarHBondContact O-N 3.39Å; Q166-S169 VanDerWaalsContact O-N 3.12Å; K167-S169 VanDerWaalsContact C-N 3.33Å; S169-N171 PolarHBondContact O-N 2.89Å; S169-R172 WeakPolarHBondContact O-CB 3.45Å; S169-R172 PolarHBondContact O-N 3.31Å; S169-R172 VanDerWaalsContact O-N 3.14Å; S169-A173 PolarHBondContact O-N 3.16Å |
| 170 | E | 84.7 | Confident | 86.6 | Confident | 75 Ų | 75 | 52.5 Ų | 52.5 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 176.5 | -72.6 | 175.2 | -172.9 | 0 | 0 | 112 | Q166 K167 R172 A173 D174 | Q166-E170 HydrophobicContact CG-CG 4.46Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.3Å; Q166-E170 PolarHBondContact NE2-OE1 3.09Å; Q166-E170 WeakPolarHBondContact O-CG 3.39Å; Q166-E170 PolarHBondContact O-N 3.31Å; K167-E170 PolarHBondContact O-N 3.25Å; E170-R172 VanDerWaalsContact C-N 3.25Å; E170-R172 PolarHBondContact O-N 3.49Å; E170-A173 WeakPolarHBondContact O-CB 3.11Å; E170-A173 PolarHBondContact O-N 3.44Å; E170-A173 VanDerWaalsContact O-N 3.12Å; E170-D174 PolarHBondContact O-N 2.7Å |
| 171 | N | 83.3 | Confident | 86.8 | Confident | 10 Ų | 10 | 52 Ų | 52 | 5% | 0.053 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.5 | -40 | 174.7 | -79 | -53.4 | 0 | 0 | 0 | 111.8 | D147 K167 S169 D174 K176 | D147-N171 PolarHBondContact OD1-ND2 2.67Å; K167-N171 WeakPolarHBondContact O-CB 3.43Å; K167-N171 PolarHBondContact O-N 3.14Å; K167-N171 PolarHBondContact O-ND2 3.34Å; S169-N171 PolarHBondContact O-N 2.89Å; N171-D174 PolarHBondContact O-N 3.02Å; N171-K176 HydrophobicContact CB-CB 4.33Å; N171-K176 HydrophobicContact CB-CD 4.2Å; N171-K176 WeakPolarHBondContact O-CB 3.35Å; N171-K176 PolarHBondContact O-N 2.9Å |
| 172 | R | 82.6 | Confident | 87 | Confident | 50 Ų | 50 | 49.8 Ų | 49.8 | 19% | 0.189 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66 | -42.1 | 175.8 | -170.1 | 74.7 | 101.4 | -172.8 | 9 | 111.7 | Q121 L168 S169 E170 D174 K175 K176 R177 F210 | Q121-R172 PolarHBondContact O-NH1 3.41Å; Q121-R172 PolarHBondContact O-NH2 2.93Å; L168-R172 PolarHBondContact O-N 2.89Å; L168-R172 VanDerWaalsContact O-N 3.14Å; S169-R172 WeakPolarHBondContact O-CB 3.45Å; S169-R172 PolarHBondContact O-N 3.31Å; S169-R172 VanDerWaalsContact O-N 3.14Å; E170-R172 VanDerWaalsContact C-N 3.25Å; E170-R172 PolarHBondContact O-N 3.49Å; R172-D174 VanDerWaalsContact C-N 3.29Å; R172-D174 PolarHBondContact O-N 3.36Å; R172-K175 WeakPolarHBondContact O-CA 3.19Å; R172-K175 PolarHBondContact O-N 2.85Å; R172-K176 WeakPolarHBondContact CD-O 3.4Å; R172-R177 PolarHBondContact NH1-O 3.07Å; R172-F210 HydrophobicContact CB-CE2 4.37Å; R172-F210 HydrophobicContact CB-CZ 3.96Å; R172-F210 HydrophobicContact CG-CZ 4.13Å |
| 173 | A | 82.4 | Confident | 87.3 | Confident | 78 Ų | 78 | 45.1 Ų | 45.1 | 65% | 0.645 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -62.1 | -36.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S169 E170 K175 | S169-A173 PolarHBondContact O-N 3.16Å; E170-A173 WeakPolarHBondContact O-CB 3.11Å; E170-A173 PolarHBondContact O-N 3.44Å; E170-A173 VanDerWaalsContact O-N 3.12Å; A173-K175 PolarHBondContact O-N 2.84Å |
| 174 | D | 75.6 | Confident | 87.8 | Confident | 63 Ų | 63 | 40.9 Ų | 40.9 | 34% | 0.337 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 18.7 | 170.7 | -87.8 | 0.1 | 0 | 0 | 0 | 113.1 | E170 N171 R172 K176 R315 | E170-D174 PolarHBondContact O-N 2.7Å; N171-D174 PolarHBondContact O-N 3.02Å; R172-D174 VanDerWaalsContact C-N 3.29Å; R172-D174 PolarHBondContact O-N 3.36Å; D174-K176 PolarHBondContact O-N 3.36Å; D174-R315 IonicContact OD1-NH1 3.67Å; D174-R315 PolarHBondContact OD1-NH1 3.24Å; D174-R315 IonicContact OD2-CZ 3.43Å; D174-R315 IonicContact OD2-NH1 2.68Å; D174-R315 PolarHBondContact OD2-NH1 2.94Å; D174-R315 IonicContact OD2-NH2 3.69Å; D174-R315 PolarHBondContact OD2-NH2 3.21Å |
| 175 | K | 74.4 | Confident | 87.9 | Confident | 189 Ų | 189 | 44.6 Ų | 44.6 | 82% | 0.822 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 17.9 | 177.5 | -55.6 | 177.8 | 179.8 | 175.6 | 0 | 114.7 | R172 A173 R177 | R172-K175 WeakPolarHBondContact O-CA 3.19Å; R172-K175 PolarHBondContact O-N 2.85Å; A173-K175 PolarHBondContact O-N 2.84Å; K175-R177 PolarHBondContact O-N 3.48Å |
| 176 | K | 79.7 | Confident | 88.1 | Confident | 49 Ų | 49 | 45 Ų | 45 | 21% | 0.213 | 23% | 0.226 | C | C | . | . | trans | -68 | 118.4 | 170.7 | -158.9 | -173.8 | -175.8 | -168.7 | 0 | 109 | D147 N171 R172 D174 L178 | D147-K176 IonicContact OD1-NZ 3.71Å; D147-K176 PolarHBondContact OD1-NZ 3.07Å; D147-K176 IonicContact OD2-NZ 2.97Å; D147-K176 PolarHBondContact OD2-NZ 3.34Å; N171-K176 HydrophobicContact CB-CB 4.33Å; N171-K176 HydrophobicContact CB-CD 4.2Å; N171-K176 WeakPolarHBondContact O-CB 3.35Å; N171-K176 PolarHBondContact O-N 2.9Å; R172-K176 WeakPolarHBondContact CD-O 3.4Å; D174-K176 PolarHBondContact O-N 3.36Å; K176-L178 VanDerWaalsContact C-N 3.32Å; K176-L178 WeakPolarHBondContact CD-O 3.48Å; K176-L178 WeakPolarHBondContact CE-O 3.3Å; K176-L178 WeakPolarHBondContact CG-O 3.24Å | ||
| 177 | R | 81.4 | Confident | 88.4 | Confident | 124 Ų | 124 | 39.9 Ų | 39.9 | 47% | 0.468 | 20% | 0.203 | S | C | . | . | trans | -78.4 | -16.3 | -178.6 | -63.5 | -177.1 | 67.1 | 100.6 | -1.6 | 113.4 | Q118 Q121 R172 K175 | Q118-R177 PolarHBondContact O-NE 3.09Å; Q118-R177 PolarHBondContact O-NH2 3.34Å; Q121-R177 CarbonylContact C-O 3.47Å; Q121-R177 WeakPolarHBondContact CA-O 3.45Å; Q121-R177 HydrophobicContact CG-CB 4.28Å; R172-R177 PolarHBondContact NH1-O 3.07Å; K175-R177 PolarHBondContact O-N 3.48Å | ||
| 178 | L | 86.9 | Confident | 88.8 | Confident | 11 Ų | 11 | 40.3 Ų | 40.3 | 6% | 0.058 | 21% | 0.206 | C | C | . | . | trans | -133.5 | 137.5 | -170.6 | 155.9 | 66.4 | 0 | 0 | 0 | 109.6 | M114 A117 Q118 K176 I180 | M114-L178 HydrophobicContact CB-CD2 4.25Å; M114-L178 HydrophobicContact CE-CD2 4.25Å; M114-L178 HydrophobicContact CG-CD2 3.83Å; A117-L178 HydrophobicContact CB-CD1 3.28Å; A117-L178 HydrophobicContact CB-CD2 4.47Å; A117-L178 HydrophobicContact CB-CG 4.27Å; Q118-L178 HydrophobicContact CG-CB 4.06Å; Q118-L178 HydrophobicContact CG-CD2 4.15Å; K176-L178 VanDerWaalsContact C-N 3.32Å; K176-L178 WeakPolarHBondContact CD-O 3.48Å; K176-L178 WeakPolarHBondContact CE-O 3.3Å; K176-L178 WeakPolarHBondContact CG-O 3.24Å; L178-I180 HydrophobicContact CD1-CD1 4.33Å; L178-I180 HydrophobicContact CD1-CG1 3.64Å; L178-I180 HydrophobicContact CD2-CD1 3.91Å; L178-I180 HydrophobicContact CD2-CG1 4.07Å; L178-I180 HydrophobicContact CG-CD1 4.35Å; L178-I180 HydrophobicContact CG-CG1 3.94Å | ||
| 179 | N | 90.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 127.7 | 168.5 | -63 | 102.4 | 0 | 0 | 0 | 110.6 | R122 T123 F124 D147 L168 | R122-N179 PolarHBondContact O-N 2.9Å; T123-N179 CarbonylContact C-O 3.57Å; T123-N179 WeakPolarHBondContact CA-O 3.5Å; T123-N179 HydrophobicContact CG2-CB 3.9Å; F124-N179 PolarHBondContact N-O 3.36Å; D147-N179 WeakPolarHBondContact OD2-CA 3.4Å; L168-N179 HydrophobicContact CD2-CB 3.86Å |
| 180 | I | 92.9 | Very high | 88.9 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 125.9 | 176.5 | -62.5 | 179.2 | 0 | 0 | 0 | 108.8 | V110 M114 L126 A146 D147 L178 I182 | V110-I180 HydrophobicContact CG1-CD1 3.95Å; M114-I180 HydrophobicContact CG-CD1 3.86Å; M114-I180 HydrophobicContact SD-CD1 4.38Å; L126-I180 HydrophobicContact CD1-CG2 3.92Å; A146-I180 HydrophobicContact CB-CG2 4.22Å; D147-I180 PolarHBondContact N-O 3.06Å; D147-I180 PolarHBondContact OD2-N 3.06Å; L178-I180 HydrophobicContact CD1-CD1 4.33Å; L178-I180 HydrophobicContact CD1-CG1 3.64Å; L178-I180 HydrophobicContact CD2-CD1 3.91Å; L178-I180 HydrophobicContact CD2-CG1 4.07Å; L178-I180 HydrophobicContact CG-CD1 4.35Å; L178-I180 HydrophobicContact CG-CG1 3.94Å; I180-I182 HydrophobicContact CG2-CD1 3.72Å; I180-I182 HydrophobicContact CG2-CG1 4.18Å |
| 181 | I | 96.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.3 | 172.5 | -58.2 | 168.9 | 0 | 0 | 0 | 107.2 | T123 F124 V125 L126 W148 F150 M164 L168 V183 I200 V204 | T123-I181 HydrophobicContact CG2-CD1 4.06Å; F124-I181 PolarHBondContact O-N 3.44Å; V125-I181 WeakPolarHBondContact CA-O 3.48Å; V125-I181 HydrophobicContact CG1-CG2 4.44Å; V125-I181 HydrophobicContact CG2-CB 4.46Å; V125-I181 HydrophobicContact CG2-CD1 4.3Å; L126-I181 PolarHBondContact N-O 3.49Å; W148-I181 HydrophobicContact CB-CG1 4.36Å; W148-I181 HydrophobicContact CB-CG2 4.3Å; W148-I181 WeakPolarHBondContact O-CA 3.3Å; F150-I181 HydrophobicContact CD2-CG2 3.99Å; F150-I181 HydrophobicContact CE2-CG2 3.74Å; M164-I181 HydrophobicContact SD-CD1 4.05Å; L168-I181 HydrophobicContact CD1-CD1 3.94Å; I181-V183 HydrophobicContact CG2-CG2 4.15Å; I181-I200 HydrophobicContact CD1-CG2 3.84Å; I181-I200 HydrophobicContact CG2-CG2 4.25Å; I181-V204 HydrophobicContact CD1-CG2 4.27Å |
| 182 | I | 97.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 132.5 | 176.2 | -56.2 | -62.4 | 0 | 0 | 0 | 108.7 | L126 V128 A137 A141 A146 W148 V149 F150 I180 | L126-I182 HydrophobicContact CB-CD1 3.91Å; L126-I182 HydrophobicContact CD1-CD1 3.76Å; L126-I182 HydrophobicContact CG-CD1 4.41Å; V128-I182 HydrophobicContact CB-CG2 4.47Å; V128-I182 HydrophobicContact CG2-CG2 3.88Å; A137-I182 HydrophobicContact CB-CG2 3.8Å; A141-I182 HydrophobicContact CB-CB 4.48Å; A141-I182 HydrophobicContact CB-CG1 4.25Å; A146-I182 HydrophobicContact CB-CG1 3.8Å; W148-I182 PolarHBondContact O-N 3.44Å; V149-I182 CarbonylContact C-O 3.5Å; V149-I182 VanDerWaalsContact CA-O 3.27Å; V149-I182 WeakPolarHBondContact CA-O 3.36Å; V149-I182 HydrophobicContact CG2-CB 4.1Å; V149-I182 HydrophobicContact CG2-CG2 4.24Å; F150-I182 PolarHBondContact N-O 3.2Å; I180-I182 HydrophobicContact CG2-CD1 3.72Å; I180-I182 HydrophobicContact CG2-CG1 4.18Å |
| 183 | V | 97.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 119.6 | -178.1 | -171 | 0 | 0 | 0 | 0 | 108.3 | V125 L126 E127 V128 F150 I181 A187 P197 I200 | V125-V183 HydrophobicContact CG1-CG2 3.54Å; L126-V183 PolarHBondContact O-N 2.95Å; E127-V183 CarbonylContact C-O 3.52Å; E127-V183 WeakPolarHBondContact CA-O 3.16Å; V128-V183 PolarHBondContact N-O 2.98Å; F150-V183 HydrophobicContact CB-CG1 4.24Å; F150-V183 HydrophobicContact CD2-CG2 4.07Å; I181-V183 HydrophobicContact CG2-CG2 4.15Å; V183-A187 HydrophobicContact CG1-CB 3.91Å; V183-P197 HydrophobicContact CG1-CG 4.43Å; V183-I200 HydrophobicContact CG1-CD1 4.28Å; V183-I200 HydrophobicContact CG2-CD1 3.46Å; V183-I200 VanDerWaalsContact CG2-CD1 3.46Å |
| 184 | A | 98 | Very high | 90.4 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 3% | 0.025 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 143.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V128 A137 F150 G186 A187 | V128-A184 CarbonylContact O-C 3.55Å; A137-A184 HydrophobicContact CB-CB 3.8Å; F150-A184 WeakPolarHBondContact O-CB 3.3Å; F150-A184 PolarHBondContact O-N 2.93Å; A184-G186 PolarHBondContact O-N 3.32Å; A184-G186 VanDerWaalsContact O-N 3.1Å; A184-A187 WeakPolarHBondContact O-CB 3.43Å; A184-A187 PolarHBondContact O-N 3.45Å |
| 185 | E | 95.5 | Very high | 91.3 | Very high | 78 Ų | 78 | 46.3 Ų | 46.3 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -26.4 | 178.2 | 70.4 | -176.2 | 164.9 | 0 | 0 | 113.1 | V128 G130 R131 | V128-E185 PolarHBondContact O-N 3.36Å; G130-E185 PolarHBondContact N-OE1 3.24Å; R131-E185 VanDerWaalsContact CA-OE1 3.26Å; R131-E185 WeakPolarHBondContact CA-OE1 3.39Å; R131-E185 PolarHBondContact N-OE1 2.98Å |
| 186 | G | 94.9 | Very high | 92.4 | Very high | 17 Ų | 17 | 40.4 Ų | 40.4 | 18% | 0.175 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 15 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R131 P152 A184 I188 | R131-G186 VanDerWaalsContact O-CA 3.29Å; R131-G186 WeakPolarHBondContact O-CA 3.48Å; R131-G186 PolarHBondContact O-N 3.36Å; P152-G186 WeakPolarHBondContact CB-O 3.39Å; A184-G186 PolarHBondContact O-N 3.32Å; A184-G186 VanDerWaalsContact O-N 3.1Å; G186-I188 PolarHBondContact O-N 3.29Å |
| 187 | A | 96.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 2% | 0.017 | 20% | 0.202 | C | C | . | . | trans | -61 | 133.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F150 V183 A184 I195 | F150-A187 HydrophobicContact CB-CB 3.8Å; V183-A187 HydrophobicContact CG1-CB 3.91Å; A184-A187 WeakPolarHBondContact O-CB 3.43Å; A184-A187 PolarHBondContact O-N 3.45Å; A187-I195 HydrophobicContact CB-CB 4.29Å; A187-I195 PolarHBondContact O-N 3.29Å | ||
| 188 | I | 95.1 | Very high | 93.9 | Very high | 35 Ų | 35 | 36.5 Ų | 36.5 | 18% | 0.179 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -134.9 | 159 | 179.9 | 58.6 | 174.1 | 0 | 0 | 0 | 110.7 | P152 P155 P156 G186 K193 I195 F288 | P152-I188 HydrophobicContact CB-CG1 4.38Å; P155-I188 WeakPolarHBondContact CB-O 3.36Å; P155-I188 HydrophobicContact CG-CD1 4.42Å; P155-I188 HydrophobicContact CG-CG1 4.13Å; P156-I188 WeakPolarHBondContact CD-O 3.43Å; G186-I188 PolarHBondContact O-N 3.29Å; I188-K193 CarbonylContact C-O 3.06Å; I188-K193 VanDerWaalsContact CA-O 3.26Å; I188-K193 WeakPolarHBondContact CA-O 3.42Å; I188-I195 WeakPolarHBondContact O-CD1 3.41Å; I188-F288 HydrophobicContact CD1-CE1 4.5Å |
| 189 | D | 92.3 | Very high | 94.4 | Very high | 24 Ų | 24 | 40.2 Ų | 40.2 | 13% | 0.128 | 22% | 0.215 | C | C | . | . | trans | -88.5 | 176.7 | 166 | 71 | 11.5 | 0 | 0 | 0 | 112.1 | H191 N192 K193 I195 | D189-H191 PolarHBondContact O-N 2.86Å; D189-H191 VanDerWaalsContact O-N 3.12Å; D189-H191 VanDerWaalsContact OD1-C 3.23Å; D189-H191 VanDerWaalsContact OD1-CA 3.25Å; D189-H191 WeakPolarHBondContact OD1-CA 3.45Å; D189-H191 WeakPolarHBondContact OD1-CB 3.48Å; D189-H191 PolarHBondContact OD1-N 3.15Å; D189-N192 PolarHBondContact O-N 3.26Å; D189-N192 PolarHBondContact OD1-N 3.41Å; D189-K193 PolarHBondContact N-O 2.9Å; D189-K193 WeakPolarHBondContact OD1-CB 3.29Å; D189-K193 PolarHBondContact OD1-N 3.39Å; D189-K193 WeakPolarHBondContact OD2-CB 3.4Å; D189-I195 HydrophobicContact CB-CD1 4.07Å; D189-I195 HydrophobicContact CB-CG1 4.26Å | ||
| 190 | C | 88.2 | Confident | 94.6 | Very high | 33 Ų | 33 | 40.2 Ų | 40.2 | 22% | 0.223 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -13 | 178 | 63.2 | 0 | 0 | 0 | 0 | 114 | D158 K286 | D158-C190 PolarHBondContact OD1-SG 3.06Å; C190-K286 PolarHBondContact O-NZ 3.48Å |
| 191 | H | 88.7 | Confident | 94.8 | Very high | 110 Ų | 110 | 42.9 Ų | 42.9 | 51% | 0.509 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 8.3 | 175.2 | -56.5 | -64.1 | 0 | 0 | 0 | 112.7 | D158 D189 K193 | D158-H191 IonicContact OD1-CD2 3.62Å; D158-H191 IonicContact OD1-CE1 3.62Å; D158-H191 IonicContact OD1-NE2 3.94Å; D158-H191 PolarHBondContact OD1-NE2 3.42Å; D158-H191 IonicContact OD2-NE2 3.76Å; D189-H191 PolarHBondContact O-N 2.86Å; D189-H191 VanDerWaalsContact O-N 3.12Å; D189-H191 VanDerWaalsContact OD1-C 3.23Å; D189-H191 VanDerWaalsContact OD1-CA 3.25Å; D189-H191 WeakPolarHBondContact OD1-CA 3.45Å; D189-H191 WeakPolarHBondContact OD1-CB 3.48Å; D189-H191 PolarHBondContact OD1-N 3.15Å; H191-K193 PolarHBondContact O-N 2.98Å |
| 192 | N | 86.9 | Confident | 94.9 | Very high | 71 Ų | 71 | 47.4 Ų | 47.4 | 38% | 0.38 | 25% | 0.25 | S | S | . | . | S | Bend | trans | 62.4 | 21.9 | -175.6 | -63.3 | -17.4 | 0 | 0 | 0 | 113.9 | D189 | D189-N192 PolarHBondContact O-N 3.26Å; D189-N192 PolarHBondContact OD1-N 3.41Å |
| 193 | K | 92.5 | Very high | 94.8 | Very high | 142 Ų | 142 | 48 Ų | 48 | 62% | 0.617 | 25% | 0.253 | S | S | * | . | trans | -85.5 | 134.9 | 171.9 | -173.9 | -174.5 | 174.1 | -170.8 | 0 | 109.1 | I188 D189 H191 I195 | I188-K193 CarbonylContact C-O 3.06Å; I188-K193 VanDerWaalsContact CA-O 3.26Å; I188-K193 WeakPolarHBondContact CA-O 3.42Å; D189-K193 PolarHBondContact N-O 2.9Å; D189-K193 WeakPolarHBondContact OD1-CB 3.29Å; D189-K193 PolarHBondContact OD1-N 3.39Å; D189-K193 WeakPolarHBondContact OD2-CB 3.4Å; H191-K193 PolarHBondContact O-N 2.98Å; K193-I195 PolarHBondContact O-N 2.95Å | ||
| 194 | A | 95 | Very high | 94.6 | Very high | 68 Ų | 68 | 47.9 Ų | 47.9 | 56% | 0.562 | 25% | 0.253 | S | S | * | . | B | Isolated β-bridge | trans | -63.1 | 133.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 195 | I | 96.1 | Very high | 94.5 | Very high | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.051 | 27% | 0.271 | C | S | . | . | trans | -97.8 | 110.2 | 173 | -60.1 | 176.8 | 0 | 0 | 0 | 107.7 | F150 P156 W160 A187 I188 D189 K193 I200 | F150-I195 HydrophobicContact CD1-CD1 3.72Å; F150-I195 HydrophobicContact CD1-CG2 4.11Å; F150-I195 HydrophobicContact CE1-CD1 4.07Å; F150-I195 HydrophobicContact CE1-CG2 4.32Å; F150-I195 HydrophobicContact CG-CG2 4.42Å; P156-I195 HydrophobicContact CG-CD1 3.51Å; W160-I195 HydrophobicContact CH2-CG2 4.28Å; W160-I195 HydrophobicContact CZ2-CD1 4.2Å; W160-I195 HydrophobicContact CZ2-CG2 4.33Å; A187-I195 HydrophobicContact CB-CB 4.29Å; A187-I195 PolarHBondContact O-N 3.29Å; I188-I195 WeakPolarHBondContact O-CD1 3.41Å; D189-I195 HydrophobicContact CB-CD1 4.07Å; D189-I195 HydrophobicContact CB-CG1 4.26Å; K193-I195 PolarHBondContact O-N 2.95Å; I195-I200 HydrophobicContact CG2-CD1 3.7Å; I195-I200 HydrophobicContact CG2-CG1 3.92Å | ||
| 196 | T | 96.4 | Very high | 94.4 | Very high | 65 Ų | 65 | 51.3 Ų | 51.3 | 40% | 0.399 | 28% | 0.282 | S | S | . | . | trans | -94.6 | 151.2 | -177.6 | 67.2 | 0 | 0 | 0 | 0 | 112 | D198 Y199 I200 | T196-D198 VanDerWaalsContact C-N 3.27Å; T196-D198 PolarHBondContact O-N 3.19Å; T196-Y199 WeakPolarHBondContact O-CB 3.5Å; T196-Y199 PolarHBondContact O-N 2.6Å; T196-Y199 WeakPolarHBondContact OG1-CB 3.36Å; T196-Y199 PolarHBondContact OG1-N 3.08Å; T196-I200 PolarHBondContact O-N 3.46Å | ||
| 197 | P | 96.6 | Very high | 94.4 | Very high | 8 Ų | 8 | 55.6 Ų | 55.6 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.4 | -36.8 | 174.7 | -26.3 | 34.5 | 0 | 0 | 0 | 113.9 | V125 E127 V183 I200 K201 V214 | V125-P197 HydrophobicContact CG1-CB 3.84Å; E127-P197 HydrophobicContact CB-CG 3.81Å; E127-P197 HydrophobicContact CG-CG 3.98Å; E127-P197 VanDerWaalsContact OE2-CG 3.25Å; E127-P197 WeakPolarHBondContact OE2-CG 3.46Å; V183-P197 HydrophobicContact CG1-CG 4.43Å; P197-I200 PolarHBondContact O-N 2.96Å; P197-K201 WeakPolarHBondContact O-CB 3.31Å; P197-K201 PolarHBondContact O-N 3.44Å; P197-V214 HydrophobicContact CB-CG1 3.65Å; P197-V214 HydrophobicContact CB-CG2 4.06Å |
| 198 | D | 96.9 | Very high | 94.2 | Very high | 83 Ų | 83 | 57.5 Ų | 57.5 | 44% | 0.444 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 177.4 | -73.3 | -55.3 | 0 | 0 | 0 | 111.8 | T196 I200 K201 D202 | T196-D198 VanDerWaalsContact C-N 3.27Å; T196-D198 PolarHBondContact O-N 3.19Å; D198-I200 PolarHBondContact O-N 3.21Å; D198-K201 WeakPolarHBondContact O-CB 3.43Å; D198-K201 PolarHBondContact O-N 2.73Å; D198-D202 PolarHBondContact O-N 3.46Å |
| 199 | Y | 96.4 | Very high | 94 | Very high | 90 Ų | 90 | 58.8 Ų | 58.8 | 35% | 0.353 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 174.6 | 174.2 | -123.3 | 0 | 0 | 0 | 111.7 | W160 E161 T196 K201 D202 L203 | W160-Y199 HydrophobicContact CH2-CD1 4.4Å; W160-Y199 AromaticContact CH2-CE1 3.99Å; W160-Y199 HydrophobicContact CH2-CE1 3.99Å; W160-Y199 HydrophobicContact CZ2-CD1 4.38Å; W160-Y199 AromaticContact CZ2-CE1 3.71Å; W160-Y199 HydrophobicContact CZ2-CE1 3.71Å; E161-Y199 PolarHBondContact OE1-OH 2.91Å; T196-Y199 WeakPolarHBondContact O-CB 3.5Å; T196-Y199 PolarHBondContact O-N 2.6Å; T196-Y199 WeakPolarHBondContact OG1-CB 3.36Å; T196-Y199 PolarHBondContact OG1-N 3.08Å; Y199-K201 VanDerWaalsContact C-N 3.33Å; Y199-K201 PolarHBondContact O-N 3.39Å; Y199-D202 PolarHBondContact O-N 3.4Å; Y199-L203 WeakPolarHBondContact O-CB 3.45Å; Y199-L203 PolarHBondContact O-N 3.23Å |
| 200 | I | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 176.3 | -66.5 | 162.8 | 0 | 0 | 0 | 110.9 | V125 F150 W160 M164 I181 V183 I195 T196 P197 D198 L203 V204 | V125-I200 HydrophobicContact CG1-CB 4.26Å; V125-I200 HydrophobicContact CG1-CD1 4.34Å; V125-I200 HydrophobicContact CG1-CG2 4.12Å; V125-I200 HydrophobicContact CG2-CB 4.44Å; V125-I200 HydrophobicContact CG2-CG2 3.78Å; F150-I200 HydrophobicContact CD2-CD1 3.61Å; F150-I200 HydrophobicContact CE2-CD1 3.5Å; F150-I200 VanDerWaalsContact CE2-CD1 3.5Å; F150-I200 HydrophobicContact CE2-CG1 4.15Å; F150-I200 HydrophobicContact CG-CD1 4.31Å; F150-I200 HydrophobicContact CZ-CD1 4.13Å; F150-I200 HydrophobicContact CZ-CG1 4.4Å; W160-I200 HydrophobicContact CH2-CG1 4.17Å; M164-I200 HydrophobicContact CE-CG2 4.18Å; M164-I200 HydrophobicContact SD-CG2 4.4Å; I181-I200 HydrophobicContact CD1-CG2 3.84Å; I181-I200 HydrophobicContact CG2-CG2 4.25Å; V183-I200 HydrophobicContact CG1-CD1 4.28Å; V183-I200 HydrophobicContact CG2-CD1 3.46Å; V183-I200 VanDerWaalsContact CG2-CD1 3.46Å; I195-I200 HydrophobicContact CG2-CD1 3.7Å; I195-I200 HydrophobicContact CG2-CG1 3.92Å; T196-I200 PolarHBondContact O-N 3.46Å; P197-I200 PolarHBondContact O-N 2.96Å; D198-I200 PolarHBondContact O-N 3.21Å; I200-L203 WeakPolarHBondContact O-CB 3.03Å; I200-L203 PolarHBondContact O-N 3.01Å; I200-V204 HydrophobicContact CG2-CG2 4.46Å; I200-V204 VanDerWaalsContact O-CG2 3.32Å; I200-V204 WeakPolarHBondContact O-CG2 3.27Å; I200-V204 PolarHBondContact O-N 3.13Å |
| 201 | K | 96.9 | Very high | 94.2 | Very high | 61 Ų | 61 | 60.4 Ų | 60.4 | 27% | 0.265 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.5 | -50.5 | 177.5 | 170.6 | -167.7 | 158.1 | -150 | 0 | 111.2 | P197 D198 Y199 L203 V204 V205 T212 V214 | P197-K201 WeakPolarHBondContact O-CB 3.31Å; P197-K201 PolarHBondContact O-N 3.44Å; D198-K201 WeakPolarHBondContact O-CB 3.43Å; D198-K201 PolarHBondContact O-N 2.73Å; Y199-K201 VanDerWaalsContact C-N 3.33Å; Y199-K201 PolarHBondContact O-N 3.39Å; K201-L203 VanDerWaalsContact C-N 3.26Å; K201-L203 PolarHBondContact O-N 3.4Å; K201-V204 PolarHBondContact O-N 2.66Å; K201-V205 HydrophobicContact CG-CG2 4.42Å; K201-V205 WeakPolarHBondContact O-CB 3.5Å; K201-V205 VanDerWaalsContact O-CG2 3.28Å; K201-V205 WeakPolarHBondContact O-CG2 3.25Å; K201-V205 PolarHBondContact O-N 3.13Å; K201-T212 HydrophobicContact CB-CG2 4.08Å; K201-T212 HydrophobicContact CG-CG2 3.94Å; K201-V214 HydrophobicContact CB-CG2 3.73Å; K201-V214 HydrophobicContact CD-CG2 3.71Å; K201-V214 HydrophobicContact CG-CG2 4.24Å |
| 202 | D | 96.8 | Very high | 94.5 | Very high | 94 Ų | 94 | 55.2 Ų | 55.2 | 50% | 0.503 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.1 | -36.2 | -177.9 | -69.4 | -15.5 | 0 | 0 | 0 | 111.1 | D198 Y199 S206 | D198-D202 PolarHBondContact O-N 3.46Å; Y199-D202 PolarHBondContact O-N 3.4Å; D202-S206 VanDerWaalsContact O-CB 3.26Å; D202-S206 WeakPolarHBondContact O-CB 3.23Å; D202-S206 PolarHBondContact O-N 3.21Å; D202-S206 PolarHBondContact O-OG 3.25Å |
| 203 | L | 95.6 | Very high | 94.9 | Very high | 12 Ų | 12 | 57.2 Ų | 57.2 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.6 | -52.6 | 172.3 | 178.7 | 69.9 | 0 | 0 | 0 | 111.7 | W160 E161 M164 Y199 I200 K201 V205 S206 H207 | W160-L203 HydrophobicContact CH2-CD2 4.14Å; W160-L203 HydrophobicContact CZ3-CD2 3.96Å; E161-L203 HydrophobicContact CB-CD1 3.97Å; E161-L203 HydrophobicContact CB-CD2 3.67Å; E161-L203 HydrophobicContact CB-CG 4.44Å; E161-L203 HydrophobicContact CG-CD1 4.22Å; E161-L203 HydrophobicContact CG-CD2 3.72Å; M164-L203 HydrophobicContact CE-CD2 3.65Å; Y199-L203 WeakPolarHBondContact O-CB 3.45Å; Y199-L203 PolarHBondContact O-N 3.23Å; I200-L203 WeakPolarHBondContact O-CB 3.03Å; I200-L203 PolarHBondContact O-N 3.01Å; K201-L203 VanDerWaalsContact C-N 3.26Å; K201-L203 PolarHBondContact O-N 3.4Å; L203-V205 VanDerWaalsContact C-N 3.32Å; L203-V205 PolarHBondContact O-N 3.09Å; L203-S206 PolarHBondContact O-N 3.31Å; L203-S206 PolarHBondContact O-OG 2.76Å; L203-S206 VanDerWaalsContact O-OG 3.1Å; L203-H207 WeakPolarHBondContact O-CB 3.43Å; L203-H207 PolarHBondContact O-N 3.27Å |
| 204 | V | 94.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.9 | -38.3 | -179.2 | 173 | 0 | 0 | 0 | 0 | 111.5 | T123 M164 L168 I181 I200 K201 L208 G209 F210 T212 | T123-V204 HydrophobicContact CG2-CG1 4.31Å; M164-V204 HydrophobicContact CE-CG2 3.92Å; L168-V204 HydrophobicContact CD1-CG2 3.89Å; I181-V204 HydrophobicContact CD1-CG2 4.27Å; I200-V204 HydrophobicContact CG2-CG2 4.46Å; I200-V204 VanDerWaalsContact O-CG2 3.32Å; I200-V204 WeakPolarHBondContact O-CG2 3.27Å; I200-V204 PolarHBondContact O-N 3.13Å; K201-V204 PolarHBondContact O-N 2.66Å; V204-L208 HydrophobicContact CG1-CD1 4.36Å; V204-L208 WeakPolarHBondContact O-CB 3.34Å; V204-L208 PolarHBondContact O-N 2.72Å; V204-G209 PolarHBondContact O-N 3.31Å; V204-F210 HydrophobicContact CG1-CB 3.93Å; V204-F210 HydrophobicContact CG1-CD2 4.37Å; V204-F210 HydrophobicContact CG1-CG 4.5Å; V204-T212 HydrophobicContact CB-CG2 4.46Å; V204-T212 HydrophobicContact CG1-CG2 4.44Å; V204-T212 WeakPolarHBondContact CG1-OG1 3.5Å |
| 205 | V | 95.4 | Very high | 95.2 | Very high | 67 Ų | 67 | 51.1 Ų | 51.1 | 41% | 0.406 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.4 | -45.4 | 177.3 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | K201 L203 G209 | K201-V205 HydrophobicContact CG-CG2 4.42Å; K201-V205 WeakPolarHBondContact O-CB 3.5Å; K201-V205 VanDerWaalsContact O-CG2 3.28Å; K201-V205 WeakPolarHBondContact O-CG2 3.25Å; K201-V205 PolarHBondContact O-N 3.13Å; L203-V205 VanDerWaalsContact C-N 3.32Å; L203-V205 PolarHBondContact O-N 3.09Å; V205-G209 VanDerWaalsContact O-CA 3.24Å; V205-G209 WeakPolarHBondContact O-CA 3.25Å; V205-G209 PolarHBondContact O-N 3.15Å |
| 206 | S | 94.7 | Very high | 95.3 | Very high | 86 Ų | 86 | 55.1 Ų | 55.1 | 60% | 0.601 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -72.5 | -41 | -176.5 | 57.2 | 0 | 0 | 0 | 0 | 113.2 | D202 L203 | D202-S206 VanDerWaalsContact O-CB 3.26Å; D202-S206 WeakPolarHBondContact O-CB 3.23Å; D202-S206 PolarHBondContact O-N 3.21Å; D202-S206 PolarHBondContact O-OG 3.25Å; L203-S206 PolarHBondContact O-N 3.31Å; L203-S206 PolarHBondContact O-OG 2.76Å; L203-S206 VanDerWaalsContact O-OG 3.1Å |
| 207 | H | 94 | Very high | 95.2 | Very high | 107 Ų | 107 | 52.6 Ų | 52.6 | 50% | 0.495 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -85.2 | -38.8 | -176.6 | -75 | -150.1 | 0 | 0 | 0 | 113.2 | D162 L203 | D162-H207 IonicContact OD1-CE1 3.34Å; D162-H207 IonicContact OD1-ND1 2.82Å; L203-H207 WeakPolarHBondContact O-CB 3.43Å; L203-H207 PolarHBondContact O-N 3.27Å |
| 208 | L | 92.2 | Very high | 95.1 | Very high | 42 Ų | 42 | 53.2 Ų | 53.2 | 22% | 0.22 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -110 | -15.9 | -173.3 | -59.7 | 178.3 | 0 | 0 | 0 | 114.2 | C165 L168 V204 F210 | C165-L208 HydrophobicContact CB-CD1 4.1Å; C165-L208 HydrophobicContact CB-CD2 4.03Å; C165-L208 HydrophobicContact CB-CG 4.06Å; L168-L208 HydrophobicContact CB-CD1 3.82Å; L168-L208 HydrophobicContact CD1-CD1 4.26Å; V204-L208 HydrophobicContact CG1-CD1 4.36Å; V204-L208 WeakPolarHBondContact O-CB 3.34Å; V204-L208 PolarHBondContact O-N 2.72Å; L208-F210 HydrophobicContact CB-CD1 3.86Å; L208-F210 HydrophobicContact CB-CD2 4.25Å; L208-F210 HydrophobicContact CB-CE1 4.02Å; L208-F210 HydrophobicContact CB-CE2 4.41Å; L208-F210 HydrophobicContact CB-CG 3.97Å; L208-F210 HydrophobicContact CB-CZ 4.3Å; L208-F210 HydrophobicContact CD1-CD2 4.04Å; L208-F210 HydrophobicContact CD1-CE2 3.88Å; L208-F210 HydrophobicContact CD1-CZ 4.27Å; L208-F210 VanDerWaalsContact O-CD1 3.3Å; L208-F210 WeakPolarHBondContact O-CD1 3.32Å; L208-F210 PolarHBondContact O-N 2.96Å |
| 209 | G | 91.8 | Very high | 94.9 | Very high | 62 Ų | 62 | 55.9 Ų | 55.9 | 64% | 0.639 | 30% | 0.302 | S | S | * | . | trans | 67.3 | 16.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V204 V205 | V204-G209 PolarHBondContact O-N 3.31Å; V205-G209 VanDerWaalsContact O-CA 3.24Å; V205-G209 WeakPolarHBondContact O-CA 3.25Å; V205-G209 PolarHBondContact O-N 3.15Å | ||
| 210 | F | 92.3 | Very high | 94.8 | Very high | 31 Ų | 31 | 55.2 Ų | 55.2 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | trans | -77 | 137.5 | -178.9 | -68.8 | 1.2 | 0 | 0 | 0 | 111.3 | L168 R172 V204 L208 T212 | L168-F210 HydrophobicContact CB-CE2 4.38Å; R172-F210 HydrophobicContact CB-CE2 4.37Å; R172-F210 HydrophobicContact CB-CZ 3.96Å; R172-F210 HydrophobicContact CG-CZ 4.13Å; V204-F210 HydrophobicContact CG1-CB 3.93Å; V204-F210 HydrophobicContact CG1-CD2 4.37Å; V204-F210 HydrophobicContact CG1-CG 4.5Å; L208-F210 HydrophobicContact CB-CD1 3.86Å; L208-F210 HydrophobicContact CB-CD2 4.25Å; L208-F210 HydrophobicContact CB-CE1 4.02Å; L208-F210 HydrophobicContact CB-CE2 4.41Å; L208-F210 HydrophobicContact CB-CG 3.97Å; L208-F210 HydrophobicContact CB-CZ 4.3Å; L208-F210 HydrophobicContact CD1-CD2 4.04Å; L208-F210 HydrophobicContact CD1-CE2 3.88Å; L208-F210 HydrophobicContact CD1-CZ 4.27Å; L208-F210 VanDerWaalsContact O-CD1 3.3Å; L208-F210 WeakPolarHBondContact O-CD1 3.32Å; L208-F210 PolarHBondContact O-N 2.96Å; F210-T212 PolarHBondContact O-N 3.4Å; F210-T212 PolarHBondContact O-OG1 3.32Å | ||
| 211 | D | 92.4 | Very high | 94.7 | Very high | 60 Ų | 60 | 55.4 Ų | 55.4 | 32% | 0.321 | 31% | 0.307 | S | S | . | . | trans | -65 | 102 | 171.7 | -176.7 | 16.5 | 0 | 0 | 0 | 109.8 | R122 T123 R213 | R122-D211 WeakPolarHBondContact CA-O 3.43Å; R122-D211 HydrophobicContact CG-CB 4.15Å; R122-D211 IonicContact CZ-OD2 2.72Å; R122-D211 IonicContact NE-OD2 2.8Å; R122-D211 PolarHBondContact NE-OD2 2.99Å; R122-D211 IonicContact NH2-OD2 3.39Å; T123-D211 PolarHBondContact N-O 3Å; D211-R213 IonicContact OD1-CZ 3.52Å; D211-R213 IonicContact OD1-NE 2.81Å; D211-R213 PolarHBondContact OD1-NE 3.37Å; D211-R213 IonicContact OD1-NH1 3.96Å; D211-R213 IonicContact OD1-NH2 3.1Å; D211-R213 PolarHBondContact OD1-NH2 2.96Å; D211-R213 IonicContact OD2-NH2 3.84Å | ||
| 212 | T | 94.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.4 | -170.6 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | T123 V125 K201 V204 F210 | T123-T212 HydrophobicContact CG2-CG2 3.99Å; T123-T212 VanDerWaalsContact O-CA 3.31Å; T123-T212 WeakPolarHBondContact O-CA 3.29Å; V125-T212 HydrophobicContact CG2-CG2 3.85Å; K201-T212 HydrophobicContact CB-CG2 4.08Å; K201-T212 HydrophobicContact CG-CG2 3.94Å; V204-T212 HydrophobicContact CB-CG2 4.46Å; V204-T212 HydrophobicContact CG1-CG2 4.44Å; V204-T212 WeakPolarHBondContact CG1-OG1 3.5Å; F210-T212 PolarHBondContact O-N 3.4Å; F210-T212 PolarHBondContact O-OG1 3.32Å |
| 213 | R | 95.8 | Very high | 94.2 | Very high | 113 Ų | 113 | 56.1 Ų | 56.1 | 43% | 0.426 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 142.1 | 179.6 | -59.4 | -63.3 | 174.3 | -140.3 | -6.1 | 110.5 | T123 F124 V125 D211 | T123-R213 PolarHBondContact O-N 2.87Å; F124-R213 WeakPolarHBondContact CA-O 3.28Å; F124-R213 HydrophobicContact CD1-CB 3.88Å; F124-R213 HydrophobicContact CE1-CB 3.67Å; F124-R213 HydrophobicContact CE1-CG 4.26Å; F124-R213 HydrophobicContact CZ-CB 4.18Å; F124-R213 HydrophobicContact CZ-CG 4.3Å; V125-R213 PolarHBondContact N-O 3.19Å; D211-R213 IonicContact OD1-CZ 3.52Å; D211-R213 IonicContact OD1-NE 2.81Å; D211-R213 PolarHBondContact OD1-NE 3.37Å; D211-R213 IonicContact OD1-NH1 3.96Å; D211-R213 IonicContact OD1-NH2 3.1Å; D211-R213 PolarHBondContact OD1-NH2 2.96Å; D211-R213 IonicContact OD2-NH2 3.84Å |
| 214 | V | 97.2 | Very high | 93.9 | Very high | 37 Ų | 37 | 57.4 Ų | 57.4 | 22% | 0.224 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 139.4 | 171.9 | 171.4 | 0 | 0 | 0 | 0 | 108.2 | V125 P197 K201 I216 | V125-V214 HydrophobicContact CB-CG2 4.19Å; V125-V214 CarbonylContact O-C 3.58Å; V125-V214 WeakPolarHBondContact O-CA 3.47Å; P197-V214 HydrophobicContact CB-CG1 3.65Å; P197-V214 HydrophobicContact CB-CG2 4.06Å; K201-V214 HydrophobicContact CB-CG2 3.73Å; K201-V214 HydrophobicContact CD-CG2 3.71Å; K201-V214 HydrophobicContact CG-CG2 4.24Å; V214-I216 HydrophobicContact CG1-CG1 4.1Å |
| 215 | T | 96.6 | Very high | 93.8 | Very high | 44 Ų | 44 | 61.8 Ų | 61.8 | 27% | 0.27 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 116.8 | 169.7 | -59.8 | 0 | 0 | 0 | 0 | 109.1 | I113 V125 L126 E127 L217 | I113-T215 HydrophobicContact CD1-CG2 4.01Å; V125-T215 PolarHBondContact O-N 3.46Å; L126-T215 WeakPolarHBondContact CA-O 3.26Å; L126-T215 HydrophobicContact CD2-CG2 4.22Å; E127-T215 PolarHBondContact N-O 3.12Å; T215-L217 HydrophobicContact CG2-CD1 4.29Å |
| 216 | I | 96.8 | Very high | 93.8 | Very high | 94 Ų | 94 | 61.1 Ų | 61.1 | 48% | 0.482 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 111.4 | 176.5 | -59 | 172.4 | 0 | 0 | 0 | 107.1 | E127 V214 G218 | E127-I216 HydrophobicContact CB-CB 4.32Å; E127-I216 HydrophobicContact CB-CG1 3.99Å; E127-I216 HydrophobicContact CB-CG2 4.27Å; E127-I216 WeakPolarHBondContact OE1-CG2 3.33Å; V214-I216 HydrophobicContact CG1-CG1 4.1Å; I216-G218 VanDerWaalsContact C-N 3.33Å |
| 217 | L | 95.2 | Very high | 93.9 | Very high | 13 Ų | 13 | 57.3 Ų | 57.3 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | trans | -66.9 | -39 | -176.9 | -85 | 63.1 | 0 | 0 | 0 | 110.9 | I106 V109 L126 E127 T215 V220 Q221 | I106-L217 HydrophobicContact CB-CD2 4.04Å; I106-L217 HydrophobicContact CG1-CD2 3.84Å; I106-L217 HydrophobicContact CG2-CD2 3.96Å; V109-L217 HydrophobicContact CB-CD2 4.19Å; V109-L217 HydrophobicContact CB-CG 4.23Å; V109-L217 HydrophobicContact CG1-CD1 3.95Å; V109-L217 HydrophobicContact CG1-CD2 4.37Å; V109-L217 HydrophobicContact CG1-CG 3.94Å; V109-L217 HydrophobicContact CG2-CD2 4.43Å; V109-L217 HydrophobicContact CG2-CG 4.34Å; L126-L217 HydrophobicContact CD2-CD1 4.12Å; E127-L217 PolarHBondContact O-N 3.31Å; T215-L217 HydrophobicContact CG2-CD1 4.29Å; L217-V220 HydrophobicContact CB-CG2 4.06Å; L217-V220 VanDerWaalsContact O-CG2 3.23Å; L217-V220 WeakPolarHBondContact O-CG2 3.13Å; L217-Q221 HydrophobicContact CB-CG 4.02Å; L217-Q221 VanDerWaalsContact CB-NE2 3.26Å; L217-Q221 HydrophobicContact CD2-CG 4.16Å | ||
| 218 | G | 93.8 | Very high | 94 | Very high | 20 Ų | 20 | 52.2 Ų | 52.2 | 21% | 0.206 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | 57 | -140.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I216 V220 Q221 | I216-G218 VanDerWaalsContact C-N 3.33Å; G218-V220 PolarHBondContact O-N 3.47Å; G218-V220 VanDerWaalsContact O-N 3.14Å; G218-Q221 WeakPolarHBondContact O-CG 3.48Å; G218-Q221 PolarHBondContact O-N 3.19Å; G218-Q221 PolarHBondContact O-NE2 3.08Å |
| 219 | H | 93 | Very high | 94.2 | Very high | 140 Ų | 140 | 51.9 Ų | 51.9 | 65% | 0.648 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -72.9 | -5.6 | -167.6 | -68.7 | 78.4 | 0 | 0 | 0 | 115.3 | Q221 R222 G223 | H219-Q221 PolarHBondContact O-N 3.3Å; H219-Q221 VanDerWaalsContact O-N 3.12Å; H219-R222 PolarHBondContact O-N 3.4Å; H219-G223 PolarHBondContact O-N 3.13Å |
| 220 | V | 93.9 | Very high | 94.4 | Very high | 76 Ų | 76 | 49 Ų | 49 | 46% | 0.461 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -56.9 | -28 | 171.8 | -55 | 0 | 0 | 0 | 0 | 111.2 | R105 V109 L217 G218 R222 G223 | R105-V220 WeakPolarHBondContact CG-O 3.43Å; V109-V220 HydrophobicContact CG2-CG2 4.5Å; L217-V220 HydrophobicContact CB-CG2 4.06Å; L217-V220 VanDerWaalsContact O-CG2 3.23Å; L217-V220 WeakPolarHBondContact O-CG2 3.13Å; G218-V220 PolarHBondContact O-N 3.47Å; G218-V220 VanDerWaalsContact O-N 3.14Å; V220-R222 VanDerWaalsContact C-N 3.26Å; V220-R222 PolarHBondContact O-N 3Å; V220-G223 PolarHBondContact O-N 3.33Å |
| 221 | Q | 95.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -68.2 | -19.4 | 176.8 | -61.5 | 171.9 | 77.7 | 0 | 0 | 113.8 | I86 A102 I106 M129 L217 G218 H219 | I86-Q221 HydrophobicContact CD1-CB 4.37Å; A102-Q221 WeakPolarHBondContact CA-O 3.43Å; A102-Q221 WeakPolarHBondContact CB-O 3.42Å; I106-Q221 HydrophobicContact CG1-CG 3.9Å; M129-Q221 HydrophobicContact SD-CB 4.46Å; L217-Q221 HydrophobicContact CB-CG 4.02Å; L217-Q221 VanDerWaalsContact CB-NE2 3.26Å; L217-Q221 HydrophobicContact CD2-CG 4.16Å; G218-Q221 WeakPolarHBondContact O-CG 3.48Å; G218-Q221 PolarHBondContact O-N 3.19Å; G218-Q221 PolarHBondContact O-NE2 3.08Å; H219-Q221 PolarHBondContact O-N 3.3Å; H219-Q221 VanDerWaalsContact O-N 3.12Å |
| 222 | R | 92.5 | Very high | 94.7 | Very high | 133 Ų | 133 | 47.3 Ų | 47.3 | 50% | 0.502 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -97.5 | -9.9 | 176.7 | -63.3 | -178.8 | -178.1 | -125.8 | -4.8 | 112.8 | I86 M129 H219 V220 | I86-R222 HydrophobicContact CD1-CG 3.71Å; M129-R222 HydrophobicContact SD-CG 4.21Å; H219-R222 PolarHBondContact O-N 3.4Å; V220-R222 VanDerWaalsContact C-N 3.26Å; V220-R222 PolarHBondContact O-N 3Å |
| 223 | G | 89.2 | Confident | 94.7 | Very high | 37 Ų | 37 | 47.5 Ų | 47.5 | 38% | 0.381 | 26% | 0.26 | S | S | . | . | trans | -95.1 | -171.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | H219 V220 | H219-G223 PolarHBondContact O-N 3.13Å; V220-G223 PolarHBondContact O-N 3.33Å | ||
| 224 | G | 90.6 | Very high | 94.6 | Very high | 40 Ų | 40 | 43.7 Ų | 43.7 | 41% | 0.412 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 87.8 | 177.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G1 | G1-G224 WeakPolarHBondContact CA-O 3.41Å; G1-G224 PolarHBondContact N-O 3.25Å |
| 225 | T | 92.1 | Very high | 94.4 | Very high | 92 Ų | 92 | 43.7 Ų | 43.7 | 56% | 0.564 | 25% | 0.254 | S | S | * | . | P | Polyproline II helix | trans | -80.5 | 138.5 | 170 | 46 | 0 | 0 | 0 | 0 | 109.5 | ||
| 226 | P | 95.4 | Very high | 94.2 | Very high | 53 Ų | 53 | 42.8 Ų | 42.8 | 34% | 0.344 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -59.7 | 144.5 | 176.7 | -21.3 | 32.3 | 0 | 0 | 0 | 111.7 | S101 D230 R231 | S101-P226 VanDerWaalsContact OG-CA 3.29Å; S101-P226 WeakPolarHBondContact OG-CA 3.29Å; P226-D230 HydrophobicContact CB-CB 4.3Å; P226-R231 HydrophobicContact CB-CG 3.97Å; P226-R231 PolarHBondContact O-NE 3.35Å; P226-R231 PolarHBondContact O-NH2 3.28Å; P226-R231 VanDerWaalsContact O-NH2 3.09Å |
| 227 | S | 97 | Very high | 94 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 165.5 | 173.4 | 69.6 | 0 | 0 | 0 | 0 | 111.7 | D100 S101 F229 D230 R231 | D100-S227 WeakPolarHBondContact OD2-CB 3.35Å; D100-S227 PolarHBondContact OD2-OG 2.87Å; S101-S227 PolarHBondContact OG-N 3.44Å; S227-F229 VanDerWaalsContact C-N 3.28Å; S227-F229 PolarHBondContact O-N 2.83Å; S227-D230 PolarHBondContact O-N 3Å; S227-D230 PolarHBondContact OG-N 3.35Å; S227-R231 VanDerWaalsContact O-CG 3.3Å; S227-R231 WeakPolarHBondContact O-CG 3.44Å; S227-R231 PolarHBondContact O-N 2.84Å; S227-R231 VanDerWaalsContact O-N 3.12Å |
| 228 | A | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.5 | -46 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | D230 R231 I232 L468 N469 V472 | A228-D230 PolarHBondContact O-N 3.48Å; A228-R231 PolarHBondContact O-N 3.07Å; A228-I232 VanDerWaalsContact O-CD1 3.23Å; A228-I232 WeakPolarHBondContact O-CD1 3.38Å; A228-I232 VanDerWaalsContact O-CG1 3.24Å; A228-I232 WeakPolarHBondContact O-CG1 3.31Å; A228-I232 PolarHBondContact O-N 3.49Å; A228-L468 HydrophobicContact CB-CB 3.84Å; A228-N469 PolarHBondContact N-OD1 3.46Å; A228-V472 HydrophobicContact CB-CB 4.48Å; A228-V472 HydrophobicContact CB-CG2 3.92Å |
| 229 | F | 95.8 | Very high | 93.8 | Very high | 34 Ų | 34 | 39.2 Ų | 39.2 | 15% | 0.149 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56 | -52.5 | 178.5 | -173.3 | -86.4 | 0 | 0 | 0 | 112.2 | M95 D100 S227 R231 I232 L233 L259 | M95-F229 HydrophobicContact CB-CE1 4.14Å; M95-F229 HydrophobicContact CB-CZ 4.47Å; M95-F229 HydrophobicContact CG-CE1 3.85Å; D100-F229 HydrophobicContact CB-CB 4.3Å; D100-F229 HydrophobicContact CB-CD1 3.95Å; D100-F229 HydrophobicContact CB-CG 4.4Å; S227-F229 VanDerWaalsContact C-N 3.28Å; S227-F229 PolarHBondContact O-N 2.83Å; F229-R231 VanDerWaalsContact C-N 3.31Å; F229-R231 PolarHBondContact O-N 3.49Å; F229-I232 PolarHBondContact O-N 2.89Å; F229-L233 HydrophobicContact CE1-CB 4.43Å; F229-L233 HydrophobicContact CE1-CD2 3.98Å; F229-L233 VanDerWaalsContact O-CB 3.28Å; F229-L233 WeakPolarHBondContact O-CB 3.48Å; F229-L233 PolarHBondContact O-N 3.26Å; F229-L259 HydrophobicContact CE1-CD2 4.42Å; F229-L259 HydrophobicContact CZ-CD2 3.86Å |
| 230 | D | 96.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65 | -33.1 | -178.5 | -85.6 | -39.1 | 0 | 0 | 0 | 112.8 | G98 D100 S101 P226 S227 A228 A234 | G98-D230 VanDerWaalsContact C-OD2 3.31Å; G98-D230 WeakPolarHBondContact CA-OD2 3.24Å; G98-D230 VanDerWaalsContact N-CG 3.25Å; G98-D230 PolarHBondContact N-OD1 3.02Å; G98-D230 PolarHBondContact N-OD2 3.35Å; D100-D230 PolarHBondContact N-OD2 3.24Å; S101-D230 WeakPolarHBondContact CB-OD2 3.5Å; S101-D230 PolarHBondContact N-OD2 2.91Å; S101-D230 PolarHBondContact OG-OD2 3.26Å; P226-D230 HydrophobicContact CB-CB 4.3Å; S227-D230 PolarHBondContact O-N 3Å; S227-D230 PolarHBondContact OG-N 3.35Å; A228-D230 PolarHBondContact O-N 3.48Å; D230-A234 WeakPolarHBondContact O-CB 3.47Å; D230-A234 PolarHBondContact O-N 2.97Å |
| 231 | R | 96.1 | Very high | 93.7 | Very high | 40 Ų | 40 | 30 Ų | 30 | 15% | 0.151 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.4 | -44.9 | 174.4 | -68.4 | 178.8 | -160 | -153.9 | 4.6 | 111.8 | P226 S227 A228 F229 S235 V472 D476 A509 | P226-R231 HydrophobicContact CB-CG 3.97Å; P226-R231 PolarHBondContact O-NE 3.35Å; P226-R231 PolarHBondContact O-NH2 3.28Å; P226-R231 VanDerWaalsContact O-NH2 3.09Å; S227-R231 VanDerWaalsContact O-CG 3.3Å; S227-R231 WeakPolarHBondContact O-CG 3.44Å; S227-R231 PolarHBondContact O-N 2.84Å; S227-R231 VanDerWaalsContact O-N 3.12Å; A228-R231 PolarHBondContact O-N 3.07Å; F229-R231 VanDerWaalsContact C-N 3.31Å; F229-R231 PolarHBondContact O-N 3.49Å; R231-S235 VanDerWaalsContact O-CB 3.3Å; R231-S235 WeakPolarHBondContact O-CB 3.21Å; R231-S235 PolarHBondContact O-N 3.21Å; R231-S235 PolarHBondContact O-OG 3.06Å; R231-V472 VanDerWaalsContact NH1-CG1 3.26Å; R231-D476 IonicContact CZ-OD2 3.55Å; R231-D476 VanDerWaalsContact NH1-CG 3.32Å; R231-D476 IonicContact NH1-OD1 3.61Å; R231-D476 PolarHBondContact NH1-OD1 2.91Å; R231-D476 IonicContact NH1-OD2 2.71Å; R231-D476 PolarHBondContact NH1-OD2 3.31Å; R231-D476 IonicContact NH2-OD2 3.51Å; R231-D476 PolarHBondContact NH2-OD2 2.87Å; R231-A509 HydrophobicContact CB-CB 4.22Å; R231-A509 WeakPolarHBondContact CD-O 3.45Å |
| 232 | I | 94.2 | Very high | 93.6 | Very high | 15 Ų | 15 | 33.8 Ų | 33.8 | 8% | 0.077 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.9 | -46.7 | 179.2 | -64.1 | 154.5 | 0 | 0 | 0 | 109.4 | A228 F229 S235 R236 L468 V505 L508 A509 | A228-I232 VanDerWaalsContact O-CD1 3.23Å; A228-I232 WeakPolarHBondContact O-CD1 3.38Å; A228-I232 VanDerWaalsContact O-CG1 3.24Å; A228-I232 WeakPolarHBondContact O-CG1 3.31Å; A228-I232 PolarHBondContact O-N 3.49Å; F229-I232 PolarHBondContact O-N 2.89Å; I232-S235 PolarHBondContact O-N 2.91Å; I232-R236 HydrophobicContact CG2-CG 4.36Å; I232-R236 WeakPolarHBondContact O-CB 3.24Å; I232-R236 WeakPolarHBondContact O-CD 3.4Å; I232-R236 WeakPolarHBondContact O-CG 3.37Å; I232-R236 PolarHBondContact O-N 3.31Å; I232-L468 HydrophobicContact CD1-CD1 4.48Å; I232-V505 HydrophobicContact CD1-CG1 3.3Å; I232-V505 HydrophobicContact CG1-CG1 4.14Å; I232-L508 HydrophobicContact CG2-CD2 4.22Å; I232-A509 HydrophobicContact CD1-CB 4.17Å; I232-A509 HydrophobicContact CG1-CB 3.77Å |
| 233 | L | 94.2 | Very high | 93.4 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.7 | -55.2 | 178 | -179.9 | 61.4 | 0 | 0 | 0 | 111.1 | I97 F229 S235 R236 M237 L259 | I97-L233 HydrophobicContact CG1-CD2 4.07Å; I97-L233 HydrophobicContact CG1-CG 4.16Å; F229-L233 HydrophobicContact CE1-CB 4.43Å; F229-L233 HydrophobicContact CE1-CD2 3.98Å; F229-L233 VanDerWaalsContact O-CB 3.28Å; F229-L233 WeakPolarHBondContact O-CB 3.48Å; F229-L233 PolarHBondContact O-N 3.26Å; L233-S235 VanDerWaalsContact C-N 3.31Å; L233-S235 PolarHBondContact O-N 2.9Å; L233-R236 PolarHBondContact O-N 2.91Å; L233-M237 HydrophobicContact CD1-CE 3.52Å; L233-M237 HydrophobicContact CD1-CG 4.05Å; L233-M237 HydrophobicContact CD1-SD 3.67Å; L233-M237 HydrophobicContact CD2-CE 4.47Å; L233-M237 HydrophobicContact CD2-SD 4.38Å; L233-M237 HydrophobicContact CG-CE 4.11Å; L233-M237 HydrophobicContact CG-CG 4.45Å; L233-M237 HydrophobicContact CG-SD 3.73Å; L233-M237 WeakPolarHBondContact O-CB 3.44Å; L233-M237 VanDerWaalsContact O-CG 3.3Å; L233-M237 WeakPolarHBondContact O-CG 3.44Å; L233-M237 PolarHBondContact O-N 3.4Å; L233-L259 HydrophobicContact CD1-CB 3.92Å; L233-L259 HydrophobicContact CD1-CD1 3.8Å; L233-L259 HydrophobicContact CD1-CD2 3.89Å; L233-L259 HydrophobicContact CD1-CG 4.08Å |
| 234 | A | 94.4 | Very high | 93.5 | Very high | 32 Ų | 32 | 27 Ų | 27 | 26% | 0.264 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.7 | -38.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I97 D230 G238 | I97-A234 HydrophobicContact CD1-CB 4.09Å; I97-A234 HydrophobicContact CG1-CB 4.42Å; I97-A234 HydrophobicContact CG2-CB 4.03Å; D230-A234 WeakPolarHBondContact O-CB 3.47Å; D230-A234 PolarHBondContact O-N 2.97Å; A234-G238 PolarHBondContact O-N 2.87Å |
| 235 | S | 93.1 | Very high | 93.5 | Very high | 37 Ų | 37 | 25.7 Ų | 25.7 | 26% | 0.259 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -66.3 | -42.6 | 178.3 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | R231 I232 L233 V239 | R231-S235 VanDerWaalsContact O-CB 3.3Å; R231-S235 WeakPolarHBondContact O-CB 3.21Å; R231-S235 PolarHBondContact O-N 3.21Å; R231-S235 PolarHBondContact O-OG 3.06Å; I232-S235 PolarHBondContact O-N 2.91Å; L233-S235 VanDerWaalsContact C-N 3.31Å; L233-S235 PolarHBondContact O-N 2.9Å; S235-V239 PolarHBondContact O-N 3.11Å |
| 236 | R | 91.8 | Very high | 93.4 | Very high | 25 Ų | 25 | 27.3 Ų | 27.3 | 9% | 0.094 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.9 | -48.6 | 177.4 | -69.8 | 168.4 | 64.8 | -170.3 | 1.1 | 111.3 | I232 L233 G238 V239 E240 N262 L667 L670 | I232-R236 HydrophobicContact CG2-CG 4.36Å; I232-R236 WeakPolarHBondContact O-CB 3.24Å; I232-R236 WeakPolarHBondContact O-CD 3.4Å; I232-R236 WeakPolarHBondContact O-CG 3.37Å; I232-R236 PolarHBondContact O-N 3.31Å; L233-R236 PolarHBondContact O-N 2.91Å; R236-G238 VanDerWaalsContact C-N 3.31Å; R236-G238 PolarHBondContact O-N 3.14Å; R236-V239 PolarHBondContact O-N 2.91Å; R236-E240 PolarHBondContact O-N 3.12Å; R236-E240 VanDerWaalsContact O-N 3.08Å; R236-N262 PolarHBondContact NH1-O 3.04Å; R236-N262 PolarHBondContact NH1-OD1 3.25Å; R236-N262 PolarHBondContact NH2-O 3.31Å; R236-L667 HydrophobicContact CG-CD2 4.23Å; R236-L670 HydrophobicContact CG-CD2 4.04Å |
| 237 | M | 92.9 | Very high | 93 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.1 | -37.1 | 179.1 | -69.4 | 177.2 | 153.4 | 0 | 0 | 112.1 | M82 I97 L233 E240 A241 V257 S258 L259 | M82-M237 HydrophobicContact CE-CB 3.58Å; M82-M237 HydrophobicContact SD-CB 4.42Å; I97-M237 HydrophobicContact CD1-SD 3.75Å; I97-M237 HydrophobicContact CG1-SD 3.78Å; L233-M237 HydrophobicContact CD1-CE 3.52Å; L233-M237 HydrophobicContact CD1-CG 4.05Å; L233-M237 HydrophobicContact CD1-SD 3.67Å; L233-M237 HydrophobicContact CD2-CE 4.47Å; L233-M237 HydrophobicContact CD2-SD 4.38Å; L233-M237 HydrophobicContact CG-CE 4.11Å; L233-M237 HydrophobicContact CG-CG 4.45Å; L233-M237 HydrophobicContact CG-SD 3.73Å; L233-M237 WeakPolarHBondContact O-CB 3.44Å; L233-M237 VanDerWaalsContact O-CG 3.3Å; L233-M237 WeakPolarHBondContact O-CG 3.44Å; L233-M237 PolarHBondContact O-N 3.4Å; M237-E240 PolarHBondContact O-N 2.85Å; M237-A241 VanDerWaalsContact O-CB 3.31Å; M237-A241 WeakPolarHBondContact O-CB 3.32Å; M237-A241 PolarHBondContact O-N 3.26Å; M237-V257 HydrophobicContact CB-CG1 3.83Å; M237-V257 HydrophobicContact CG-CG1 3.89Å; M237-S258 VanDerWaalsContact CE-C 3.44Å; M237-L259 HydrophobicContact CE-CB 3.8Å; M237-L259 VanDerWaalsContact CE-N 3.29Å |
| 238 | G | 93.7 | Very high | 92.5 | Very high | 25 Ų | 25 | 29 Ų | 29 | 26% | 0.258 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.3 | -41.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A234 R236 A241 V242 | A234-G238 PolarHBondContact O-N 2.87Å; R236-G238 VanDerWaalsContact C-N 3.31Å; R236-G238 PolarHBondContact O-N 3.14Å; G238-A241 PolarHBondContact O-N 2.96Å; G238-V242 WeakPolarHBondContact O-CG2 3.23Å; G238-V242 PolarHBondContact O-N 2.81Å |
| 239 | V | 90.9 | Very high | 91.9 | Very high | 25 Ų | 25 | 31.7 Ų | 31.7 | 15% | 0.152 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.1 | -43.2 | 175.5 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | S235 R236 A241 V242 L243 L670 L674 | S235-V239 PolarHBondContact O-N 3.11Å; R236-V239 PolarHBondContact O-N 2.91Å; V239-A241 VanDerWaalsContact C-N 3.25Å; V239-A241 PolarHBondContact O-N 3.42Å; V239-V242 PolarHBondContact O-N 2.54Å; V239-V242 VanDerWaalsContact O-N 3.13Å; V239-L243 HydrophobicContact CG1-CD1 4.19Å; V239-L243 HydrophobicContact CG1-CG 4.46Å; V239-L243 WeakPolarHBondContact O-CG 3.28Å; V239-L243 PolarHBondContact O-N 3.22Å; V239-L670 HydrophobicContact CB-CD1 3.48Å; V239-L670 VanDerWaalsContact CB-CD1 3.48Å; V239-L670 HydrophobicContact CG1-CD1 3.57Å; V239-L670 HydrophobicContact CG2-CD1 3.38Å; V239-L674 HydrophobicContact CG2-CD2 3.97Å |
| 240 | E | 91.3 | Very high | 90.9 | Very high | 22 Ų | 22 | 34 Ų | 34 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.7 | -36.6 | 175.9 | -168.9 | 58.1 | -143.3 | 0 | 0 | 112 | R236 M237 V242 L243 A244 V257 A264 R266 | R236-E240 PolarHBondContact O-N 3.12Å; R236-E240 VanDerWaalsContact O-N 3.08Å; M237-E240 PolarHBondContact O-N 2.85Å; E240-V242 VanDerWaalsContact C-N 3.34Å; E240-V242 PolarHBondContact O-N 3.47Å; E240-L243 PolarHBondContact O-N 3.26Å; E240-A244 VanDerWaalsContact O-CB 3.31Å; E240-A244 WeakPolarHBondContact O-CB 3.3Å; E240-A244 PolarHBondContact O-N 3.11Å; E240-V257 HydrophobicContact CB-CG1 3.92Å; E240-V257 HydrophobicContact CB-CG2 4.49Å; E240-V257 HydrophobicContact CG-CG1 4Å; E240-V257 HydrophobicContact CG-CG2 4.35Å; E240-A264 HydrophobicContact CB-CB 4.39Å; E240-A264 HydrophobicContact CG-CB 4.39Å; E240-R266 HydrophobicContact CG-CG 4.45Å; E240-R266 IonicContact OE1-CZ 2.74Å; E240-R266 IonicContact OE1-NE 3.93Å; E240-R266 PolarHBondContact OE1-NE 3.42Å; E240-R266 IonicContact OE1-NH2 3.03Å; E240-R266 PolarHBondContact OE1-NH2 2.86Å |
| 241 | A | 93.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.9 | -39.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V80 M82 M237 G238 V239 L245 V257 | V80-A241 HydrophobicContact CG1-CB 3.7Å; M82-A241 HydrophobicContact CG-CB 4.16Å; M82-A241 HydrophobicContact SD-CB 3.88Å; M237-A241 VanDerWaalsContact O-CB 3.31Å; M237-A241 WeakPolarHBondContact O-CB 3.32Å; M237-A241 PolarHBondContact O-N 3.26Å; G238-A241 PolarHBondContact O-N 2.96Å; V239-A241 VanDerWaalsContact C-N 3.25Å; V239-A241 PolarHBondContact O-N 3.42Å; A241-L245 WeakPolarHBondContact O-CG 3.24Å; A241-L245 PolarHBondContact O-N 2.98Å; A241-L245 VanDerWaalsContact O-N 3.07Å; A241-V257 HydrophobicContact CB-CG2 3.97Å |
| 242 | V | 92.6 | Very high | 89.3 | Confident | 82 Ų | 82 | 40.4 Ų | 40.4 | 50% | 0.497 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.2 | -44.1 | 176 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | G238 V239 E240 A244 L245 L246 | G238-V242 WeakPolarHBondContact O-CG2 3.23Å; G238-V242 PolarHBondContact O-N 2.81Å; V239-V242 PolarHBondContact O-N 2.54Å; V239-V242 VanDerWaalsContact O-N 3.13Å; E240-V242 VanDerWaalsContact C-N 3.34Å; E240-V242 PolarHBondContact O-N 3.47Å; V242-A244 VanDerWaalsContact C-N 3.34Å; V242-A244 PolarHBondContact O-N 3.45Å; V242-L245 PolarHBondContact O-N 3.24Å; V242-L246 HydrophobicContact CG1-CD1 4.08Å; V242-L246 HydrophobicContact CG1-CG 4.44Å; V242-L246 WeakPolarHBondContact O-CG 3.36Å; V242-L246 PolarHBondContact O-N 2.98Å |
| 243 | L | 89.6 | Confident | 88.9 | Confident | 21 Ų | 21 | 42.7 Ų | 42.7 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.6 | -45 | 176 | -66 | 172.6 | 0 | 0 | 0 | 111.3 | V239 E240 L245 L246 E247 Y681 | V239-L243 HydrophobicContact CG1-CD1 4.19Å; V239-L243 HydrophobicContact CG1-CG 4.46Å; V239-L243 WeakPolarHBondContact O-CG 3.28Å; V239-L243 PolarHBondContact O-N 3.22Å; E240-L243 PolarHBondContact O-N 3.26Å; L243-L245 VanDerWaalsContact C-N 3.28Å; L243-L245 PolarHBondContact O-N 3.43Å; L243-L246 PolarHBondContact O-N 3.42Å; L243-L246 VanDerWaalsContact O-N 3.12Å; L243-E247 WeakPolarHBondContact O-CB 3.43Å; L243-E247 WeakPolarHBondContact O-CG 3.35Å; L243-E247 PolarHBondContact O-N 3.38Å; L243-Y681 HydrophobicContact CD1-CD1 4.15Å; L243-Y681 HydrophobicContact CD1-CE1 3.51Å; L243-Y681 HydrophobicContact CD2-CD1 4.2Å; L243-Y681 HydrophobicContact CD2-CE1 4.39Å |
| 244 | A | 90.1 | Very high | 88.6 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.5 | -38.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V80 E240 V242 A248 | V80-A244 HydrophobicContact CG2-CB 3.8Å; E240-A244 VanDerWaalsContact O-CB 3.31Å; E240-A244 WeakPolarHBondContact O-CB 3.3Å; E240-A244 PolarHBondContact O-N 3.11Å; V242-A244 VanDerWaalsContact C-N 3.34Å; V242-A244 PolarHBondContact O-N 3.45Å; A244-A248 WeakPolarHBondContact O-CB 3.42Å; A244-A248 PolarHBondContact O-N 3.46Å |
| 245 | L | 91.4 | Very high | 88.4 | Confident | 14 Ų | 14 | 41.4 Ų | 41.4 | 7% | 0.073 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.1 | -41.8 | 174.8 | -74 | 168.8 | 0 | 0 | 0 | 112 | Y33 C35 H78 V80 A241 V242 L243 E247 A248 | Y33-L245 HydrophobicContact CD1-CB 3.9Å; Y33-L245 HydrophobicContact CD1-CD2 4.07Å; Y33-L245 WeakPolarHBondContact CD1-O 3.36Å; Y33-L245 WeakPolarHBondContact CE1-O 3.34Å; C35-L245 HydrophobicContact CB-CD1 4.11Å; H78-L245 HydrophobicContact CB-CD2 4Å; V80-L245 HydrophobicContact CB-CD1 4.49Å; V80-L245 HydrophobicContact CB-CD2 4.08Å; V80-L245 HydrophobicContact CB-CG 4.01Å; V80-L245 HydrophobicContact CG2-CD2 3.64Å; V80-L245 HydrophobicContact CG2-CG 3.63Å; A241-L245 WeakPolarHBondContact O-CG 3.24Å; A241-L245 PolarHBondContact O-N 2.98Å; A241-L245 VanDerWaalsContact O-N 3.07Å; V242-L245 PolarHBondContact O-N 3.24Å; L243-L245 VanDerWaalsContact C-N 3.28Å; L243-L245 PolarHBondContact O-N 3.43Å; L245-E247 VanDerWaalsContact C-N 3.31Å; L245-E247 PolarHBondContact O-N 3.34Å; L245-A248 WeakPolarHBondContact O-CB 3.31Å; L245-A248 PolarHBondContact O-N 3.32Å |
| 246 | L | 89.6 | Confident | 88.4 | Confident | 125 Ų | 125 | 39.6 Ų | 39.6 | 65% | 0.654 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -67.8 | -30.7 | -179.9 | -69.3 | 174.2 | 0 | 0 | 0 | 113 | V242 L243 | V242-L246 HydrophobicContact CG1-CD1 4.08Å; V242-L246 HydrophobicContact CG1-CG 4.44Å; V242-L246 WeakPolarHBondContact O-CG 3.36Å; V242-L246 PolarHBondContact O-N 2.98Å; L243-L246 PolarHBondContact O-N 3.42Å; L243-L246 VanDerWaalsContact O-N 3.12Å |
| 247 | E | 87.9 | Confident | 88.5 | Confident | 76 Ų | 76 | 38.4 Ų | 38.4 | 36% | 0.355 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -88.2 | -9.7 | 178.1 | -68.9 | 164.8 | -148.9 | 0 | 0 | 113.2 | L243 L245 S249 R266 V683 A686 | L243-E247 WeakPolarHBondContact O-CB 3.43Å; L243-E247 WeakPolarHBondContact O-CG 3.35Å; L243-E247 PolarHBondContact O-N 3.38Å; L245-E247 VanDerWaalsContact C-N 3.31Å; L245-E247 PolarHBondContact O-N 3.34Å; E247-S249 PolarHBondContact O-N 3.16Å; E247-R266 IonicContact OE1-NH2 2.95Å; E247-R266 PolarHBondContact OE1-NH2 3.02Å; E247-R266 IonicContact OE2-CZ 3.86Å; E247-R266 IonicContact OE2-NH1 3.19Å; E247-R266 PolarHBondContact OE2-NH1 3.26Å; E247-R266 IonicContact OE2-NH2 3.94Å; E247-R266 PolarHBondContact OE2-NH2 3.33Å; E247-R266 VanDerWaalsContact OE2-NH2 3.14Å; E247-V683 VanDerWaalsContact OE1-CG1 3.25Å; E247-V683 WeakPolarHBondContact OE1-CG1 3.41Å; E247-A686 WeakPolarHBondContact OE1-CB 3.35Å; E247-A686 WeakPolarHBondContact OE2-CB 3.25Å |
| 248 | A | 86.2 | Confident | 88.4 | Confident | 19 Ų | 19 | 38.3 Ų | 38.3 | 16% | 0.157 | 23% | 0.227 | C | C | . | . | trans | -64.8 | 129.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | H78 A244 L245 | H78-A248 HydrophobicContact CB-CB 4.23Å; H78-A248 WeakPolarHBondContact ND1-CB 3.37Å; A244-A248 WeakPolarHBondContact O-CB 3.42Å; A244-A248 PolarHBondContact O-N 3.46Å; L245-A248 WeakPolarHBondContact O-CB 3.31Å; L245-A248 PolarHBondContact O-N 3.32Å | ||
| 249 | S | 83.1 | Confident | 88.2 | Confident | 57 Ų | 57 | 37.5 Ų | 37.5 | 40% | 0.399 | 22% | 0.217 | S | C | . | . | trans | -103.8 | 175.4 | 169.8 | 70.8 | 0 | 0 | 0 | 0 | 111.4 | H78 E247 D251 T252 | H78-S249 PolarHBondContact CE1-O 2.76Å; E247-S249 PolarHBondContact O-N 3.16Å; S249-D251 PolarHBondContact O-N 2.58Å; S249-T252 PolarHBondContact N-OG1 3.33Å; S249-T252 WeakPolarHBondContact O-CB 3.42Å; S249-T252 PolarHBondContact O-N 2.79Å; S249-T252 VanDerWaalsContact O-N 3.15Å; S249-T252 PolarHBondContact OG-OG1 2.97Å | ||
| 250 | T | 75.7 | Confident | 87.8 | Confident | 83 Ų | 83 | 37.3 Ų | 37.3 | 51% | 0.509 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -37.2 | 175.5 | 44.9 | 0 | 0 | 0 | 0 | 112.9 | Q76 | Q76-T250 HydrophobicContact CG-CG2 4.09Š|
| 251 | D | 79.3 | Confident | 87.2 | Confident | 143 Ų | 143 | 36.5 Ų | 36.5 | 77% | 0.765 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90 | -4.6 | -174.6 | -52.6 | -39.2 | 0 | 0 | 0 | 112.6 | S249 P253 | S249-D251 PolarHBondContact O-N 2.58Å; D251-P253 WeakPolarHBondContact O-CD 3.23Å |
| 252 | T | 80.7 | Confident | 86.5 | Confident | 34 Ų | 34 | 37.4 Ų | 37.4 | 21% | 0.209 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -73.7 | 120 | -178.7 | -56.6 | 0 | 0 | 0 | 0 | 109.3 | R50 S249 L689 | R50-T252 PolarHBondContact NH2-O 3.5Å; S249-T252 PolarHBondContact N-OG1 3.33Å; S249-T252 WeakPolarHBondContact O-CB 3.42Å; S249-T252 PolarHBondContact O-N 2.79Å; S249-T252 VanDerWaalsContact O-N 3.15Å; S249-T252 PolarHBondContact OG-OG1 2.97Å; T252-L689 HydrophobicContact CG2-CD1 3.96Å |
| 253 | P | 84.4 | Confident | 86 | Confident | 62 Ų | 62 | 36.6 Ų | 36.6 | 40% | 0.403 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -66.7 | 158.5 | 176.7 | 28.3 | -34.4 | 0 | 0 | 0 | 111 | D251 C255 L689 | D251-P253 WeakPolarHBondContact O-CD 3.23Å; P253-C255 PolarHBondContact O-N 3.47Å; P253-L689 HydrophobicContact CG-CD1 4.03Å; P253-L689 HydrophobicContact CG-CD2 4.34Å |
| 254 | A | 87.8 | Confident | 85.9 | Confident | 5 Ų | 5 | 36.8 Ų | 36.8 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -60.7 | 127.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | N47 L269 | N47-A254 WeakPolarHBondContact OD1-CB 3.2Å; A254-L269 HydrophobicContact CB-CB 4.37Å; A254-L269 HydrophobicContact CB-CD2 4.25Å; A254-L269 VanDerWaalsContact O-CB 3.32Å; A254-L269 WeakPolarHBondContact O-CB 3.36Å; A254-L269 PolarHBondContact O-N 3.23Å |
| 255 | C | 91.8 | Very high | 85.8 | Confident | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.034 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 158.2 | -179.6 | 69.6 | 0 | 0 | 0 | 0 | 111.3 | V80 G81 P253 R266 L267 L689 | V80-C255 WeakPolarHBondContact CA-O 3.48Å; G81-C255 PolarHBondContact N-O 3.43Å; P253-C255 PolarHBondContact O-N 3.47Å; C255-R266 HydrophobicContact CB-CB 4.46Å; C255-L267 CarbonylContact C-O 3.52Å; C255-L267 WeakPolarHBondContact CA-O 3.38Å; C255-L267 VanDerWaalsContact CB-O 3.3Å; C255-L267 WeakPolarHBondContact CB-O 3.46Å; C255-L689 HydrophobicContact CB-CD2 4.21Å |
| 256 | V | 93.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 132.6 | 170.1 | 63.8 | 0 | 0 | 0 | 0 | 108.4 | L43 G81 V83 F90 L267 L269 C272 | L43-V256 HydrophobicContact CD1-CG2 4.16Å; G81-V256 CarbonylContact O-C 3.56Å; G81-V256 WeakPolarHBondContact O-CA 2.99Å; V83-V256 HydrophobicContact CG2-CG2 3.58Å; F90-V256 HydrophobicContact CE1-CG1 4.03Å; F90-V256 HydrophobicContact CE1-CG2 4.17Å; F90-V256 HydrophobicContact CZ-CG1 4.21Å; F90-V256 HydrophobicContact CZ-CG2 4.28Å; V256-L267 HydrophobicContact CG1-CB 3.97Å; V256-L267 PolarHBondContact N-O 3.06Å; V256-L267 PolarHBondContact O-N 3.17Å; V256-L269 HydrophobicContact CB-CD1 4.09Å; V256-C272 HydrophobicContact CG1-CB 4.32Å |
| 257 | V | 93.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 121.1 | 172.8 | -179.9 | 0 | 0 | 0 | 0 | 107.7 | V80 G81 M82 M237 E240 A241 A264 I265 | V80-V257 HydrophobicContact CG1-CG2 3.73Å; G81-V257 PolarHBondContact O-N 2.83Å; M82-V257 HydrophobicContact CG-CB 4.39Å; M237-V257 HydrophobicContact CB-CG1 3.83Å; M237-V257 HydrophobicContact CG-CG1 3.89Å; E240-V257 HydrophobicContact CB-CG1 3.92Å; E240-V257 HydrophobicContact CB-CG2 4.49Å; E240-V257 HydrophobicContact CG-CG1 4Å; E240-V257 HydrophobicContact CG-CG2 4.35Å; A241-V257 HydrophobicContact CB-CG2 3.97Å; V257-A264 HydrophobicContact CG1-CB 4.49Å; V257-I265 WeakPolarHBondContact CA-O 3.21Å |
| 258 | S | 90.6 | Very high | 86 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 161.1 | -172.8 | -70.5 | 0 | 0 | 0 | 0 | 111.3 | G92 M237 A264 I265 | G92-S258 WeakPolarHBondContact O-CB 3.18Å; M237-S258 VanDerWaalsContact CE-C 3.44Å; S258-A264 WeakPolarHBondContact O-CA 3.39Å; S258-I265 PolarHBondContact N-O 3.47Å; S258-I265 PolarHBondContact O-N 3.3Å |
| 259 | L | 88.6 | Confident | 86.1 | Confident | 9 Ų | 9 | 27.4 Ų | 27.4 | 5% | 0.047 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 120.3 | 174.3 | -174 | 71.5 | 0 | 0 | 0 | 109.1 | T93 D94 M95 F229 L233 M237 Q263 | T93-L259 PolarHBondContact OG1-N 3.38Å; D94-L259 WeakPolarHBondContact CB-O 3.28Å; D94-L259 PolarHBondContact N-O 2.68Å; M95-L259 HydrophobicContact CB-CD2 4.07Å; F229-L259 HydrophobicContact CE1-CD2 4.42Å; F229-L259 HydrophobicContact CZ-CD2 3.86Å; L233-L259 HydrophobicContact CD1-CB 3.92Å; L233-L259 HydrophobicContact CD1-CD1 3.8Å; L233-L259 HydrophobicContact CD1-CD2 3.89Å; L233-L259 HydrophobicContact CD1-CG 4.08Å; M237-L259 HydrophobicContact CE-CB 3.8Å; M237-L259 VanDerWaalsContact CE-N 3.29Å; L259-Q263 WeakPolarHBondContact CA-O 3.49Å |
| 260 | V | 83.2 | Confident | 86.2 | Confident | 20 Ų | 20 | 28.7 Ų | 28.7 | 12% | 0.121 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 121.5 | 172.2 | 175.9 | 0 | 0 | 0 | 0 | 109.3 | D94 N262 Q263 I265 V695 | D94-V260 WeakPolarHBondContact OD2-CA 3.41Å; V260-N262 VanDerWaalsContact C-N 3.31Å; V260-N262 PolarHBondContact O-N 3.08Å; V260-Q263 PolarHBondContact N-O 3.32Å; V260-Q263 WeakPolarHBondContact O-CB 3.22Å; V260-Q263 PolarHBondContact O-N 3.05Å; V260-I265 HydrophobicContact CB-CD1 3.64Å; V260-I265 HydrophobicContact CB-CG1 4.02Å; V260-I265 HydrophobicContact CG1-CD1 4.33Å; V260-I265 HydrophobicContact CG2-CD1 3.38Å; V260-I265 HydrophobicContact CG2-CG1 3.84Å; V260-V695 HydrophobicContact CG1-CG1 3.76Å; V260-V695 HydrophobicContact CG2-CG1 4.19Å |
| 261 | G | 79.1 | Confident | 86.8 | Confident | 6 Ų | 6 | 27.4 Ų | 27.4 | 6% | 0.062 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 41.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D94 Q263 R637 | D94-G261 PolarHBondContact OD2-N 3.2Å; G261-Q263 PolarHBondContact O-N 3.39Å; G261-R637 CarbonylContact C-O 3.53Å; G261-R637 CarbonylContact O-C 3.54Å; G261-R637 VanDerWaalsContact O-CA 3.28Å; G261-R637 WeakPolarHBondContact O-CA 3.46Å |
| 262 | N | 79.1 | Confident | 87.3 | Confident | 20 Ų | 20 | 20.6 Ų | 20.6 | 11% | 0.107 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 23 | -174.5 | -167.7 | 27.1 | 0 | 0 | 0 | 114.2 | R236 V260 H460 W663 | R236-N262 PolarHBondContact NH1-O 3.04Å; R236-N262 PolarHBondContact NH1-OD1 3.25Å; R236-N262 PolarHBondContact NH2-O 3.31Å; V260-N262 VanDerWaalsContact C-N 3.31Å; V260-N262 PolarHBondContact O-N 3.08Å; N262-H460 PolarHBondContact ND2-NE2 2.87Å; N262-W663 WeakPolarHBondContact ND2-CZ2 3.08Å |
| 263 | Q | 82.1 | Confident | 87.6 | Confident | 65 Ų | 65 | 19 Ų | 19 | 30% | 0.304 | 11% | 0.105 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 143.8 | 173.5 | -59.3 | -171.5 | 0.9 | 0 | 0 | 110.3 | L259 V260 G261 I265 | L259-Q263 WeakPolarHBondContact CA-O 3.49Å; V260-Q263 PolarHBondContact N-O 3.32Å; V260-Q263 WeakPolarHBondContact O-CB 3.22Å; V260-Q263 PolarHBondContact O-N 3.05Å; G261-Q263 PolarHBondContact O-N 3.39Å; Q263-I265 HydrophobicContact CB-CG2 4.45Å |
| 264 | A | 85.9 | Confident | 87.7 | Confident | 25 Ų | 25 | 21.4 Ų | 21.4 | 21% | 0.207 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 123 | 172.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | E240 V257 S258 | E240-A264 HydrophobicContact CB-CB 4.39Å; E240-A264 HydrophobicContact CG-CB 4.39Å; V257-A264 HydrophobicContact CG1-CB 4.49Å; S258-A264 WeakPolarHBondContact O-CA 3.39Å |
| 265 | I | 88.5 | Confident | 87.7 | Confident | 12 Ų | 12 | 22.4 Ų | 22.4 | 6% | 0.062 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 161.1 | -179.8 | 66.3 | 161.9 | 0 | 0 | 0 | 110.5 | V257 S258 V260 Q263 L267 V695 | V257-I265 WeakPolarHBondContact CA-O 3.21Å; S258-I265 PolarHBondContact N-O 3.47Å; S258-I265 PolarHBondContact O-N 3.3Å; V260-I265 HydrophobicContact CB-CD1 3.64Å; V260-I265 HydrophobicContact CB-CG1 4.02Å; V260-I265 HydrophobicContact CG1-CD1 4.33Å; V260-I265 HydrophobicContact CG2-CD1 3.38Å; V260-I265 HydrophobicContact CG2-CG1 3.84Å; Q263-I265 HydrophobicContact CB-CG2 4.45Å; I265-L267 HydrophobicContact CD1-CD1 4.28Å; I265-L267 HydrophobicContact CD1-CD2 3.6Å; I265-L267 HydrophobicContact CD1-CG 3.95Å; I265-L267 HydrophobicContact CG1-CD2 4.37Å; I265-L267 HydrophobicContact CG1-CG 4.26Å; I265-V695 HydrophobicContact CD1-CG2 4.22Å |
| 266 | R | 91.9 | Very high | 87.6 | Confident | 16 Ų | 16 | 22.9 Ų | 22.9 | 6% | 0.06 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 122.1 | 178.2 | -55.4 | 176.1 | -167.4 | 174.8 | 2.3 | 109.2 | E240 E247 C255 G687 E690 | E240-R266 HydrophobicContact CG-CG 4.45Å; E240-R266 IonicContact OE1-CZ 2.74Å; E240-R266 IonicContact OE1-NE 3.93Å; E240-R266 PolarHBondContact OE1-NE 3.42Å; E240-R266 IonicContact OE1-NH2 3.03Å; E240-R266 PolarHBondContact OE1-NH2 2.86Å; E247-R266 IonicContact OE1-NH2 2.95Å; E247-R266 PolarHBondContact OE1-NH2 3.02Å; E247-R266 IonicContact OE2-CZ 3.86Å; E247-R266 IonicContact OE2-NH1 3.19Å; E247-R266 PolarHBondContact OE2-NH1 3.26Å; E247-R266 IonicContact OE2-NH2 3.94Å; E247-R266 PolarHBondContact OE2-NH2 3.33Å; E247-R266 VanDerWaalsContact OE2-NH2 3.14Å; C255-R266 HydrophobicContact CB-CB 4.46Å; R266-G687 WeakPolarHBondContact CD-O 3.36Å; R266-G687 PolarHBondContact NE-O 3.03Å; R266-E690 PolarHBondContact O-N 3.18Å |
| 267 | L | 90.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 147.2 | 178.6 | -62.9 | 178.3 | 0 | 0 | 0 | 110.8 | G92 C255 V256 I265 L269 E690 V692 V695 | G92-L267 WeakPolarHBondContact O-CD1 3.19Å; C255-L267 CarbonylContact C-O 3.52Å; C255-L267 WeakPolarHBondContact CA-O 3.38Å; C255-L267 VanDerWaalsContact CB-O 3.3Å; C255-L267 WeakPolarHBondContact CB-O 3.46Å; V256-L267 HydrophobicContact CG1-CB 3.97Å; V256-L267 PolarHBondContact N-O 3.06Å; V256-L267 PolarHBondContact O-N 3.17Å; I265-L267 HydrophobicContact CD1-CD1 4.28Å; I265-L267 HydrophobicContact CD1-CD2 3.6Å; I265-L267 HydrophobicContact CD1-CG 3.95Å; I265-L267 HydrophobicContact CG1-CD2 4.37Å; I265-L267 HydrophobicContact CG1-CG 4.26Å; L267-L269 PolarHBondContact O-N 3.39Å; L267-E690 HydrophobicContact CD2-CB 4.11Å; L267-E690 WeakPolarHBondContact CD2-O 3.41Å; L267-V692 HydrophobicContact CB-CG2 4.44Å; L267-V692 HydrophobicContact CD1-CG2 4.41Å; L267-V692 HydrophobicContact CD2-CG2 4.42Å; L267-V695 HydrophobicContact CD2-CG2 4.02Å |
| 268 | P | 90.4 | Very high | 87.3 | Confident | 13 Ų | 13 | 31.7 Ų | 31.7 | 8% | 0.084 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 125.5 | 170.9 | -22.8 | 33 | 0 | 0 | 0 | 110.6 | M270 E271 C272 L689 E690 | P268-M270 PolarHBondContact O-N 3.35Å; P268-E271 HydrophobicContact CB-CB 4.17Å; P268-E271 HydrophobicContact CB-CG 3.88Å; P268-E271 HydrophobicContact CG-CG 4.32Å; P268-E271 PolarHBondContact O-N 3.02Å; P268-C272 PolarHBondContact O-N 3.25Å; P268-C272 PolarHBondContact O-SG 3.2Å; P268-C272 VanDerWaalsContact O-SG 3.36Å; P268-L689 HydrophobicContact CB-CD2 4.47Å; P268-L689 HydrophobicContact CG-CD2 3.72Å; P268-E690 WeakPolarHBondContact CD-O 3.15Å |
| 269 | L | 88.6 | Confident | 87.3 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.8 | -45.6 | -173.2 | 172.8 | 59.7 | 0 | 0 | 0 | 111.8 | L43 N47 F90 A254 V256 L267 E271 C272 V273 | L43-L269 HydrophobicContact CB-CD1 3.61Å; L43-L269 HydrophobicContact CB-CD2 4.22Å; L43-L269 HydrophobicContact CB-CG 4.5Å; L43-L269 HydrophobicContact CD1-CD1 4.02Å; L43-L269 HydrophobicContact CG-CD1 4.36Å; N47-L269 HydrophobicContact CB-CD2 3.93Å; F90-L269 HydrophobicContact CZ-CD1 4.31Å; A254-L269 HydrophobicContact CB-CB 4.37Å; A254-L269 HydrophobicContact CB-CD2 4.25Å; A254-L269 VanDerWaalsContact O-CB 3.32Å; A254-L269 WeakPolarHBondContact O-CB 3.36Å; A254-L269 PolarHBondContact O-N 3.23Å; V256-L269 HydrophobicContact CB-CD1 4.09Å; L267-L269 PolarHBondContact O-N 3.39Å; L269-E271 VanDerWaalsContact C-N 3.34Å; L269-E271 PolarHBondContact O-N 3.47Å; L269-C272 WeakPolarHBondContact O-CB 3.4Å; L269-C272 PolarHBondContact O-N 3.35Å; L269-V273 HydrophobicContact CD1-CG2 4.08Å; L269-V273 HydrophobicContact CG-CG2 4.45Å; L269-V273 WeakPolarHBondContact O-CG2 3.49Å; L269-V273 PolarHBondContact O-N 2.95Å |
| 270 | M | 85.1 | Confident | 87.3 | Confident | 84 Ų | 84 | 34.6 Ų | 34.6 | 41% | 0.414 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -68.7 | -30.5 | -176.6 | -68.5 | -53.4 | -61.6 | 0 | 0 | 113.3 | N47 P268 C272 V273 Q274 | N47-M270 HydrophobicContact CB-SD 4.07Å; N47-M270 PolarHBondContact ND2-SD 3.12Å; P268-M270 PolarHBondContact O-N 3.35Å; M270-C272 VanDerWaalsContact C-N 3.34Å; M270-V273 PolarHBondContact O-N 3.14Å; M270-Q274 VanDerWaalsContact O-CB 3.32Å; M270-Q274 WeakPolarHBondContact O-CB 3.34Å; M270-Q274 PolarHBondContact O-N 2.93Å |
| 271 | E | 88.9 | Confident | 87.8 | Confident | 55 Ų | 55 | 39.6 Ų | 39.6 | 26% | 0.257 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.5 | -43.9 | 172.5 | -70.1 | -177.7 | -160.8 | 0 | 0 | 110.6 | P268 L269 M275 H691 V692 | P268-E271 HydrophobicContact CB-CB 4.17Å; P268-E271 HydrophobicContact CB-CG 3.88Å; P268-E271 HydrophobicContact CG-CG 4.32Å; P268-E271 PolarHBondContact O-N 3.02Å; L269-E271 VanDerWaalsContact C-N 3.34Å; L269-E271 PolarHBondContact O-N 3.47Å; E271-M275 WeakPolarHBondContact O-CG 3.36Å; E271-M275 PolarHBondContact O-N 3.37Å; E271-H691 IonicContact OE1-CE1 2.72Å; E271-H691 IonicContact OE1-CG 2.68Å; E271-H691 IonicContact OE1-ND1 3.14Å; E271-H691 PolarHBondContact OE1-ND1 2.97Å; E271-H691 IonicContact OE2-ND1 3.35Å; E271-V692 HydrophobicContact CB-CB 4.47Å; E271-V692 HydrophobicContact CB-CG2 3.69Å; E271-V692 WeakPolarHBondContact OE2-CG2 3.45Å; E271-V692 PolarHBondContact OE2-N 3.35Å |
| 272 | C | 88.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.1 | -41.3 | 179.8 | -60.9 | 0 | 0 | 0 | 0 | 112.5 | F90 C91 V256 P268 L269 M270 T276 | F90-C272 HydrophobicContact CD1-CB 4.44Å; F90-C272 HydrophobicContact CE1-CB 3.43Å; F90-C272 VanDerWaalsContact CE1-CB 3.43Å; F90-C272 HydrophobicContact CE2-CB 4.32Å; F90-C272 HydrophobicContact CZ-CB 3.35Å; C91-C272 VanDerWaalsContact O-CB 3.28Å; C91-C272 WeakPolarHBondContact O-CB 3.06Å; V256-C272 HydrophobicContact CG1-CB 4.32Å; P268-C272 PolarHBondContact O-N 3.25Å; P268-C272 PolarHBondContact O-SG 3.2Å; P268-C272 VanDerWaalsContact O-SG 3.36Å; L269-C272 WeakPolarHBondContact O-CB 3.4Å; L269-C272 PolarHBondContact O-N 3.35Å; M270-C272 VanDerWaalsContact C-N 3.34Å; C272-T276 PolarHBondContact O-N 3.14Å; C272-T276 PolarHBondContact O-OG1 3.4Å |
| 273 | V | 86.9 | Confident | 89.1 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.9 | -47.7 | 176.3 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | T44 F90 L269 M270 M275 T276 Q277 | T44-V273 VanDerWaalsContact OG1-CG1 3.32Å; T44-V273 WeakPolarHBondContact OG1-CG1 3.36Å; T44-V273 WeakPolarHBondContact OG1-CG2 3.5Å; F90-V273 HydrophobicContact CE2-CG2 4.3Å; L269-V273 HydrophobicContact CD1-CG2 4.08Å; L269-V273 HydrophobicContact CG-CG2 4.45Å; L269-V273 WeakPolarHBondContact O-CG2 3.49Å; L269-V273 PolarHBondContact O-N 2.95Å; M270-V273 PolarHBondContact O-N 3.14Å; V273-M275 VanDerWaalsContact C-N 3.34Å; V273-M275 PolarHBondContact O-N 2.93Å; V273-T276 WeakPolarHBondContact O-CB 3.47Å; V273-T276 PolarHBondContact O-N 3.02Å; V273-T276 VanDerWaalsContact O-N 3.1Å; V273-Q277 WeakPolarHBondContact O-CG 3.42Å; V273-Q277 PolarHBondContact O-N 2.82Å |
| 274 | Q | 87.8 | Confident | 89.5 | Confident | 113 Ų | 113 | 40.7 Ų | 40.7 | 53% | 0.528 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59 | -46.4 | 178.9 | -178.2 | -178.9 | -17.3 | 0 | 0 | 111.3 | M270 T276 Q277 E278 | M270-Q274 VanDerWaalsContact O-CB 3.32Å; M270-Q274 WeakPolarHBondContact O-CB 3.34Å; M270-Q274 PolarHBondContact O-N 2.93Å; Q274-T276 VanDerWaalsContact C-N 3.26Å; Q274-T276 PolarHBondContact O-N 2.94Å; Q274-Q277 WeakPolarHBondContact O-CB 3.33Å; Q274-Q277 PolarHBondContact O-N 3.16Å; Q274-Q277 VanDerWaalsContact O-N 3.12Å; Q274-E278 PolarHBondContact NE2-OE1 3.09Å; Q274-E278 VanDerWaalsContact NE2-OE1 3.15Å; Q274-E278 WeakPolarHBondContact O-CG 3.23Å; Q274-E278 PolarHBondContact O-N 2.88Å |
| 275 | M | 87.7 | Confident | 89.9 | Confident | 25 Ų | 25 | 43.7 Ų | 43.7 | 12% | 0.123 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.2 | -35.8 | 176.4 | -74.6 | -177.4 | 53.9 | 0 | 0 | 112.8 | C91 E271 V273 Q277 E278 V279 V692 R696 | C91-M275 HydrophobicContact CB-CB 3.75Å; C91-M275 HydrophobicContact CB-CE 4.35Å; E271-M275 WeakPolarHBondContact O-CG 3.36Å; E271-M275 PolarHBondContact O-N 3.37Å; V273-M275 VanDerWaalsContact C-N 3.34Å; V273-M275 PolarHBondContact O-N 2.93Å; M275-Q277 VanDerWaalsContact C-N 3.33Å; M275-E278 WeakPolarHBondContact O-CB 3.3Å; M275-E278 PolarHBondContact O-N 3.49Å; M275-V279 PolarHBondContact O-N 3.3Å; M275-V279 VanDerWaalsContact O-N 3.15Å; M275-V692 HydrophobicContact CE-CG1 3.82Å; M275-V692 HydrophobicContact SD-CB 3.86Å; M275-V692 HydrophobicContact SD-CG1 3.27Å; M275-V692 WeakPolarHBondContact SD-CG1 3.33Å; M275-R696 VanDerWaalsContact CE-NH2 3.3Å |
| 276 | T | 88.6 | Confident | 90.1 | Very high | 15 Ų | 15 | 47.7 Ų | 47.7 | 9% | 0.092 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.7 | -37.7 | 175.9 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | D89 C91 C272 V273 Q274 V279 | D89-T276 WeakPolarHBondContact O-CG2 3.43Å; C91-T276 PolarHBondContact N-OG1 3.5Å; C272-T276 PolarHBondContact O-N 3.14Å; C272-T276 PolarHBondContact O-OG1 3.4Å; V273-T276 WeakPolarHBondContact O-CB 3.47Å; V273-T276 PolarHBondContact O-N 3.02Å; V273-T276 VanDerWaalsContact O-N 3.1Å; Q274-T276 VanDerWaalsContact C-N 3.26Å; Q274-T276 PolarHBondContact O-N 2.94Å; T276-V279 PolarHBondContact O-N 2.91Å |
| 277 | Q | 88.8 | Confident | 90.2 | Very high | 113 Ų | 113 | 51.5 Ų | 51.5 | 53% | 0.528 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.5 | -36 | 173.8 | -66.1 | 174.3 | 0.3 | 0 | 0 | 112.3 | V273 Q274 M275 V279 Q280 K281 | V273-Q277 WeakPolarHBondContact O-CG 3.42Å; V273-Q277 PolarHBondContact O-N 2.82Å; Q274-Q277 WeakPolarHBondContact O-CB 3.33Å; Q274-Q277 PolarHBondContact O-N 3.16Å; Q274-Q277 VanDerWaalsContact O-N 3.12Å; M275-Q277 VanDerWaalsContact C-N 3.33Å; Q277-V279 VanDerWaalsContact C-N 3.28Å; Q277-V279 PolarHBondContact O-N 3.35Å; Q277-Q280 PolarHBondContact O-N 2.72Å; Q277-Q280 VanDerWaalsContact O-N 3.17Å; Q277-K281 PolarHBondContact O-N 2.81Å |
| 278 | E | 91.8 | Very high | 90.4 | Very high | 73 Ų | 73 | 53.3 Ų | 53.3 | 34% | 0.341 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.3 | -35.8 | 174.7 | -73.5 | 171.7 | -174.1 | 0 | 0 | 112.1 | Q274 M275 K281 A282 L294 | Q274-E278 PolarHBondContact NE2-OE1 3.09Å; Q274-E278 VanDerWaalsContact NE2-OE1 3.15Å; Q274-E278 WeakPolarHBondContact O-CG 3.23Å; Q274-E278 PolarHBondContact O-N 2.88Å; M275-E278 WeakPolarHBondContact O-CB 3.3Å; M275-E278 PolarHBondContact O-N 3.49Å; E278-K281 PolarHBondContact O-N 2.87Å; E278-A282 WeakPolarHBondContact O-CB 3.42Å; E278-A282 PolarHBondContact O-N 2.8Å; E278-L294 HydrophobicContact CB-CD1 4.07Å |
| 279 | V | 91.2 | Very high | 90.4 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.6 | -50.7 | 172 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | M275 T276 Q277 K281 A282 M283 A291 L294 R295 | M275-V279 PolarHBondContact O-N 3.3Å; M275-V279 VanDerWaalsContact O-N 3.15Å; T276-V279 PolarHBondContact O-N 2.91Å; Q277-V279 VanDerWaalsContact C-N 3.28Å; Q277-V279 PolarHBondContact O-N 3.35Å; V279-K281 VanDerWaalsContact C-N 3.29Å; V279-K281 PolarHBondContact O-N 3.33Å; V279-A282 PolarHBondContact O-N 3.48Å; V279-M283 HydrophobicContact CG1-CG 4.36Å; V279-M283 WeakPolarHBondContact O-CG 3.5Å; V279-M283 PolarHBondContact O-N 2.81Å; V279-A291 HydrophobicContact CG1-CB 4.37Å; V279-L294 HydrophobicContact CG2-CB 3.49Å; V279-L294 VanDerWaalsContact CG2-CB 3.49Å; V279-L294 HydrophobicContact CG2-CD1 4.27Å; V279-R295 HydrophobicContact CG1-CG 4.47Å |
| 280 | Q | 89.9 | Confident | 90.7 | Very high | 68 Ų | 68 | 62.2 Ų | 62.2 | 32% | 0.318 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | -179.1 | -173 | 60.7 | 53.9 | 0 | 0 | 111.2 | Q277 A282 M283 D284 | Q277-Q280 PolarHBondContact O-N 2.72Å; Q277-Q280 VanDerWaalsContact O-N 3.17Å; Q280-A282 PolarHBondContact O-N 3.35Å; Q280-M283 WeakPolarHBondContact O-CB 3.4Å; Q280-M283 PolarHBondContact O-N 3.49Å; Q280-D284 PolarHBondContact NE2-OD1 2.94Å; Q280-D284 PolarHBondContact O-N 2.87Å |
| 281 | K | 93.3 | Very high | 91.1 | Very high | 124 Ų | 124 | 58.2 Ų | 58.2 | 54% | 0.539 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 175 | -176.7 | -178.2 | 174.2 | -175.8 | 0 | 112.1 | Q277 E278 V279 M283 D284 E285 | Q277-K281 PolarHBondContact O-N 2.81Å; E278-K281 PolarHBondContact O-N 2.87Å; V279-K281 VanDerWaalsContact C-N 3.29Å; V279-K281 PolarHBondContact O-N 3.33Å; K281-M283 VanDerWaalsContact C-N 3.28Å; K281-M283 PolarHBondContact O-N 3Å; K281-D284 PolarHBondContact O-N 2.72Å; K281-E285 WeakPolarHBondContact CE-OE1 3.13Å; K281-E285 HydrophobicContact CG-CG 4.48Å; K281-E285 IonicContact NZ-OE1 2.66Å; K281-E285 WeakPolarHBondContact O-CB 3.32Å; K281-E285 WeakPolarHBondContact O-CG 3.36Å; K281-E285 PolarHBondContact O-N 3.48Å |
| 282 | A | 93.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E278 V279 Q280 E285 K286 K287 E290 A291 L294 | E278-A282 WeakPolarHBondContact O-CB 3.42Å; E278-A282 PolarHBondContact O-N 2.8Å; V279-A282 PolarHBondContact O-N 3.48Å; Q280-A282 PolarHBondContact O-N 3.35Å; A282-E285 PolarHBondContact O-N 3.14Å; A282-K286 PolarHBondContact O-N 2.68Å; A282-K287 HydrophobicContact CB-CB 4.35Å; A282-K287 WeakPolarHBondContact O-CA 3.42Å; A282-K287 PolarHBondContact O-N 2.93Å; A282-E290 HydrophobicContact CB-CB 4.34Å; A282-E290 HydrophobicContact CB-CG 4.32Å; A282-A291 HydrophobicContact CB-CB 4.11Å; A282-L294 HydrophobicContact CB-CD1 4.27Å |
| 283 | M | 91.1 | Very high | 91.4 | Very high | 11 Ų | 11 | 63.8 Ų | 63.8 | 5% | 0.054 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.1 | -46.7 | 174.9 | -66.1 | -68.6 | -68.5 | 0 | 0 | 112.2 | P152 E153 V279 Q280 K281 E285 K286 F288 A291 | P152-M283 HydrophobicContact CB-CE 3.64Å; P152-M283 WeakPolarHBondContact O-CE 3.47Å; E153-M283 HydrophobicContact CG-SD 4.32Å; V279-M283 HydrophobicContact CG1-CG 4.36Å; V279-M283 WeakPolarHBondContact O-CG 3.5Å; V279-M283 PolarHBondContact O-N 2.81Å; Q280-M283 WeakPolarHBondContact O-CB 3.4Å; Q280-M283 PolarHBondContact O-N 3.49Å; K281-M283 VanDerWaalsContact C-N 3.28Å; K281-M283 PolarHBondContact O-N 3Å; M283-E285 VanDerWaalsContact C-N 3.31Å; M283-E285 PolarHBondContact O-N 3.24Å; M283-K286 PolarHBondContact O-N 2.66Å; M283-F288 HydrophobicContact CE-CD1 4.22Å; M283-F288 HydrophobicContact CE-CE1 4.32Å; M283-F288 HydrophobicContact SD-CD1 3.87Å; M283-F288 HydrophobicContact SD-CE1 4.38Å; M283-A291 HydrophobicContact CG-CB 3.76Å; M283-A291 HydrophobicContact SD-CB 3.37Å; M283-A291 WeakPolarHBondContact SD-CB 3.15Å |
| 284 | D | 90.9 | Very high | 91.6 | Very high | 100 Ų | 100 | 64.5 Ų | 64.5 | 54% | 0.535 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.3 | -36.5 | 179.1 | -63.7 | -18.2 | 0 | 0 | 0 | 111.7 | Q280 K281 K286 | Q280-D284 PolarHBondContact NE2-OD1 2.94Å; Q280-D284 PolarHBondContact O-N 2.87Å; K281-D284 PolarHBondContact O-N 2.72Å; D284-K286 PolarHBondContact O-N 2.83Å |
| 285 | E | 94 | Very high | 91.6 | Very high | 88 Ų | 88 | 61 Ų | 61 | 41% | 0.411 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 3.8 | 175.1 | -68.8 | 179.9 | -175 | 0 | 0 | 113.7 | K281 A282 M283 K287 | K281-E285 WeakPolarHBondContact CE-OE1 3.13Å; K281-E285 HydrophobicContact CG-CG 4.48Å; K281-E285 IonicContact NZ-OE1 2.66Å; K281-E285 WeakPolarHBondContact O-CB 3.32Å; K281-E285 WeakPolarHBondContact O-CG 3.36Å; K281-E285 PolarHBondContact O-N 3.48Å; A282-E285 PolarHBondContact O-N 3.14Å; M283-E285 VanDerWaalsContact C-N 3.31Å; M283-E285 PolarHBondContact O-N 3.24Å; E285-K287 HydrophobicContact CB-CD 4.39Å; E285-K287 HydrophobicContact CB-CG 4.25Å; E285-K287 PolarHBondContact O-N 3.28Å; E285-K287 VanDerWaalsContact OE2-CE 3.29Å; E285-K287 WeakPolarHBondContact OE2-CE 3.43Å; E285-K287 IonicContact OE2-NZ 3.47Å; E285-K287 PolarHBondContact OE2-NZ 2.67Å |
| 286 | K | 93.1 | Very high | 91.6 | Very high | 97 Ų | 97 | 61 Ų | 61 | 42% | 0.422 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 26 | -177.8 | -52.8 | -173.3 | 176.4 | -160.4 | 0 | 114.8 | C190 A282 M283 D284 F288 | C190-K286 PolarHBondContact O-NZ 3.48Å; A282-K286 PolarHBondContact O-N 2.68Å; M283-K286 PolarHBondContact O-N 2.66Å; D284-K286 PolarHBondContact O-N 2.83Å; K286-F288 VanDerWaalsContact C-N 3.33Å; K286-F288 HydrophobicContact CB-CE2 3.91Å; K286-F288 HydrophobicContact CB-CZ 3.95Å; K286-F288 HydrophobicContact CG-CZ 4.18Å; K286-F288 PolarHBondContact O-N 3.32Å |
| 287 | K | 94.1 | Very high | 91.3 | Very high | 96 Ų | 96 | 66.2 Ų | 66.2 | 42% | 0.417 | 31% | 0.305 | S | S | . | . | trans | -92 | 64.1 | 174.4 | -61.2 | -179.9 | -174.8 | 159.9 | 0 | 110.3 | A282 E285 D289 E290 A291 | A282-K287 HydrophobicContact CB-CB 4.35Å; A282-K287 WeakPolarHBondContact O-CA 3.42Å; A282-K287 PolarHBondContact O-N 2.93Å; E285-K287 HydrophobicContact CB-CD 4.39Å; E285-K287 HydrophobicContact CB-CG 4.25Å; E285-K287 PolarHBondContact O-N 3.28Å; E285-K287 VanDerWaalsContact OE2-CE 3.29Å; E285-K287 WeakPolarHBondContact OE2-CE 3.43Å; E285-K287 IonicContact OE2-NZ 3.47Å; E285-K287 PolarHBondContact OE2-NZ 2.67Å; K287-D289 PolarHBondContact O-N 3.01Å; K287-E290 HydrophobicContact CB-CB 4.03Å; K287-E290 WeakPolarHBondContact CD-OE2 3.45Å; K287-E290 WeakPolarHBondContact O-CB 3.17Å; K287-E290 PolarHBondContact O-N 2.87Å; K287-E290 VanDerWaalsContact O-N 3.11Å; K287-A291 PolarHBondContact O-N 2.93Å | ||
| 288 | F | 93 | Very high | 91.1 | Very high | 38 Ų | 38 | 62.4 Ų | 62.4 | 17% | 0.167 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62 | -38 | -172 | -55.8 | -62.3 | 0 | 0 | 0 | 113.5 | P155 I188 M283 K286 E290 A291 V292 | P155-F288 HydrophobicContact CG-CD1 3.76Å; P155-F288 HydrophobicContact CG-CD2 4.12Å; P155-F288 HydrophobicContact CG-CE1 3.52Å; P155-F288 HydrophobicContact CG-CE2 3.88Å; P155-F288 HydrophobicContact CG-CG 4.07Å; P155-F288 HydrophobicContact CG-CZ 3.59Å; I188-F288 HydrophobicContact CD1-CE1 4.5Å; M283-F288 HydrophobicContact CE-CD1 4.22Å; M283-F288 HydrophobicContact CE-CE1 4.32Å; M283-F288 HydrophobicContact SD-CD1 3.87Å; M283-F288 HydrophobicContact SD-CE1 4.38Å; K286-F288 VanDerWaalsContact C-N 3.33Å; K286-F288 HydrophobicContact CB-CE2 3.91Å; K286-F288 HydrophobicContact CB-CZ 3.95Å; K286-F288 HydrophobicContact CG-CZ 4.18Å; K286-F288 PolarHBondContact O-N 3.32Å; F288-E290 VanDerWaalsContact C-N 3.3Å; F288-E290 PolarHBondContact O-N 2.86Å; F288-A291 WeakPolarHBondContact O-CB 3.24Å; F288-A291 PolarHBondContact O-N 3.1Å; F288-V292 WeakPolarHBondContact O-CG2 3.4Å; F288-V292 PolarHBondContact O-N 2.74Å |
| 289 | D | 92.4 | Very high | 91.1 | Very high | 108 Ų | 108 | 59.1 Ų | 59.1 | 58% | 0.578 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63.6 | -36.3 | 175.8 | -70.5 | -36.3 | 0 | 0 | 0 | 112.4 | K287 R293 | K287-D289 PolarHBondContact O-N 3.01Å; D289-R293 VanDerWaalsContact O-CG 3.31Å; D289-R293 WeakPolarHBondContact O-CG 3.26Å; D289-R293 PolarHBondContact O-N 2.71Å; D289-R293 VanDerWaalsContact O-N 3.11Å |
| 290 | E | 93.6 | Very high | 91.1 | Very high | 92 Ų | 92 | 62.7 Ų | 62.7 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.1 | -43.6 | 173.9 | -173.3 | 177.5 | 175.3 | 0 | 0 | 110.5 | A282 K287 F288 V292 R293 L294 | A282-E290 HydrophobicContact CB-CB 4.34Å; A282-E290 HydrophobicContact CB-CG 4.32Å; K287-E290 HydrophobicContact CB-CB 4.03Å; K287-E290 WeakPolarHBondContact CD-OE2 3.45Å; K287-E290 WeakPolarHBondContact O-CB 3.17Å; K287-E290 PolarHBondContact O-N 2.87Å; K287-E290 VanDerWaalsContact O-N 3.11Å; F288-E290 VanDerWaalsContact C-N 3.3Å; F288-E290 PolarHBondContact O-N 2.86Å; E290-V292 PolarHBondContact O-N 2.92Å; E290-R293 PolarHBondContact O-N 3.15Å; E290-R293 VanDerWaalsContact O-N 3.17Å; E290-L294 HydrophobicContact CG-CD1 4.16Å; E290-L294 HydrophobicContact CG-CG 4.41Å; E290-L294 WeakPolarHBondContact O-CB 3.42Å; E290-L294 VanDerWaalsContact O-CG 3.3Å; E290-L294 WeakPolarHBondContact O-CG 3.29Å; E290-L294 PolarHBondContact O-N 3.41Å |
| 291 | A | 93.1 | Very high | 91 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V279 A282 M283 K287 F288 R293 L294 R295 | V279-A291 HydrophobicContact CG1-CB 4.37Å; A282-A291 HydrophobicContact CB-CB 4.11Å; M283-A291 HydrophobicContact CG-CB 3.76Å; M283-A291 HydrophobicContact SD-CB 3.37Å; M283-A291 WeakPolarHBondContact SD-CB 3.15Å; K287-A291 PolarHBondContact O-N 2.93Å; F288-A291 WeakPolarHBondContact O-CB 3.24Å; F288-A291 PolarHBondContact O-N 3.1Å; A291-R293 PolarHBondContact O-N 3.02Å; A291-L294 PolarHBondContact O-N 3.44Å; A291-R295 WeakPolarHBondContact O-CG 3.45Å; A291-R295 PolarHBondContact O-N 3.48Å |
| 292 | V | 93.4 | Very high | 91 | Very high | 8 Ų | 8 | 57.5 Ų | 57.5 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 174.7 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | E153 F288 E290 L294 R295 G296 F299 E300 L303 | E153-V292 HydrophobicContact CB-CG2 3.92Å; E153-V292 WeakPolarHBondContact O-CG2 3.42Å; F288-V292 WeakPolarHBondContact O-CG2 3.4Å; F288-V292 PolarHBondContact O-N 2.74Å; E290-V292 PolarHBondContact O-N 2.92Å; V292-L294 VanDerWaalsContact C-N 3.35Å; V292-L294 PolarHBondContact O-N 3.24Å; V292-R295 PolarHBondContact O-N 3.47Å; V292-G296 PolarHBondContact O-N 3.35Å; V292-F299 HydrophobicContact CG1-CD1 4.24Å; V292-F299 HydrophobicContact CG2-CE1 4.33Å; V292-E300 HydrophobicContact CG1-CB 4.09Å; V292-E300 HydrophobicContact CG1-CG 4.23Å; V292-L303 HydrophobicContact CG1-CD2 4.02Å; V292-L303 HydrophobicContact CG2-CD2 3.78Å |
| 293 | R | 91.8 | Very high | 91 | Very high | 164 Ų | 164 | 57.5 Ų | 57.5 | 62% | 0.619 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64.2 | -39.9 | 177.2 | -71.5 | 173.6 | -173.4 | -176.6 | 4.4 | 112 | D289 E290 A291 G296 | D289-R293 VanDerWaalsContact O-CG 3.31Å; D289-R293 WeakPolarHBondContact O-CG 3.26Å; D289-R293 PolarHBondContact O-N 2.71Å; D289-R293 VanDerWaalsContact O-N 3.11Å; E290-R293 PolarHBondContact O-N 3.15Å; E290-R293 VanDerWaalsContact O-N 3.17Å; A291-R293 PolarHBondContact O-N 3.02Å; R293-G296 PolarHBondContact O-N 2.84Å; R293-G296 VanDerWaalsContact O-N 3.13Å |
| 294 | L | 89.8 | Confident | 91 | Very high | 17 Ų | 17 | 59.8 Ų | 59.8 | 9% | 0.089 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.3 | -35.2 | 178.5 | -71.3 | 174.1 | 0 | 0 | 0 | 112.4 | E278 V279 A282 E290 A291 V292 G296 | E278-L294 HydrophobicContact CB-CD1 4.07Å; V279-L294 HydrophobicContact CG2-CB 3.49Å; V279-L294 VanDerWaalsContact CG2-CB 3.49Å; V279-L294 HydrophobicContact CG2-CD1 4.27Å; A282-L294 HydrophobicContact CB-CD1 4.27Å; E290-L294 HydrophobicContact CG-CD1 4.16Å; E290-L294 HydrophobicContact CG-CG 4.41Å; E290-L294 WeakPolarHBondContact O-CB 3.42Å; E290-L294 VanDerWaalsContact O-CG 3.3Å; E290-L294 WeakPolarHBondContact O-CG 3.29Å; E290-L294 PolarHBondContact O-N 3.41Å; A291-L294 PolarHBondContact O-N 3.44Å; V292-L294 VanDerWaalsContact C-N 3.35Å; V292-L294 PolarHBondContact O-N 3.24Å; L294-G296 PolarHBondContact O-N 3.41Å |
| 295 | R | 88.8 | Confident | 91 | Very high | 39 Ų | 39 | 55.7 Ų | 55.7 | 15% | 0.147 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.5 | -22.8 | 170.8 | -70.1 | -72.1 | -168.4 | -148.3 | -5.3 | 113.1 | D89 H132 C133 E153 V279 A291 V292 F299 | D89-R295 PolarHBondContact O-NH1 3.1Å; H132-R295 PolarHBondContact O-NH2 3.32Å; C133-R295 VanDerWaalsContact SG-CZ 3.56Å; E153-R295 HydrophobicContact CG-CG 4.37Å; E153-R295 IonicContact OE1-CZ 3.68Å; E153-R295 IonicContact OE1-NE 2.66Å; E153-R295 PolarHBondContact OE1-NE 3.28Å; E153-R295 IonicContact OE1-NH2 3.49Å; E153-R295 PolarHBondContact OE1-NH2 3.07Å; V279-R295 HydrophobicContact CG1-CG 4.47Å; A291-R295 WeakPolarHBondContact O-CG 3.45Å; A291-R295 PolarHBondContact O-N 3.48Å; V292-R295 PolarHBondContact O-N 3.47Å; R295-F299 HydrophobicContact CB-CB 3.76Å; R295-F299 HydrophobicContact CB-CD1 4.28Å; R295-F299 HydrophobicContact CB-CD2 4.04Å; R295-F299 HydrophobicContact CB-CG 3.78Å; R295-F299 HydrophobicContact CG-CD2 4.22Å; R295-F299 HydrophobicContact CG-CG 4.3Å |
| 296 | G | 86.5 | Confident | 90.9 | Very high | 24 Ų | 24 | 52.1 Ų | 52.1 | 25% | 0.247 | 25% | 0.25 | C | S | . | . | trans | 100.3 | 168.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V292 R293 L294 S298 F299 E300 | V292-G296 PolarHBondContact O-N 3.35Å; R293-G296 PolarHBondContact O-N 2.84Å; R293-G296 VanDerWaalsContact O-N 3.13Å; L294-G296 PolarHBondContact O-N 3.41Å; G296-S298 PolarHBondContact O-N 2.85Å; G296-S298 VanDerWaalsContact O-N 3.16Å; G296-F299 WeakPolarHBondContact O-CB 3.4Å; G296-F299 PolarHBondContact O-N 2.82Å; G296-F299 VanDerWaalsContact O-N 3.07Å; G296-E300 PolarHBondContact O-N 3.13Å; G296-E300 VanDerWaalsContact O-N 3.11Å | ||
| 297 | R | 82.7 | Confident | 90.7 | Very high | 125 Ų | 125 | 52.9 Ų | 52.9 | 47% | 0.472 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.5 | -32.8 | -171.4 | -67.7 | -177.1 | 177.8 | -162.7 | -4.4 | 113.7 | N301 | R297-N301 WeakPolarHBondContact O-CB 3.44Å; R297-N301 PolarHBondContact O-N 3.31Å; R297-N301 PolarHBondContact O-ND2 3.44Å |
| 298 | S | 84.6 | Confident | 90.3 | Very high | 33 Ų | 33 | 49.5 Ų | 49.5 | 23% | 0.231 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 178.2 | -172.9 | 0 | 0 | 0 | 0 | 111.1 | G296 N302 | G296-S298 PolarHBondContact O-N 2.85Å; G296-S298 VanDerWaalsContact O-N 3.16Å; S298-N302 PolarHBondContact O-N 3.15Å; S298-N302 VanDerWaalsContact O-N 3.11Å; S298-N302 PolarHBondContact O-ND2 2.78Å; S298-N302 PolarHBondContact O-OD1 3.49Å |
| 299 | F | 91.2 | Very high | 89.9 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.2 | -50 | 176.6 | -167.8 | -74.3 | 0 | 0 | 0 | 110.9 | Y135 L138 I151 E153 V292 R295 G296 N301 N302 L303 | Y135-F299 AromaticContact CD2-CD2 3.88Å; Y135-F299 HydrophobicContact CD2-CD2 3.88Å; L138-F299 HydrophobicContact CD2-CD1 4.31Å; L138-F299 HydrophobicContact CD2-CE1 4.03Å; L138-F299 HydrophobicContact CD2-CE2 4.38Å; L138-F299 HydrophobicContact CD2-CZ 4.06Å; I151-F299 HydrophobicContact CD1-CE1 4.32Å; I151-F299 HydrophobicContact CD1-CZ 4.08Å; E153-F299 HydrophobicContact CB-CE1 3.91Å; E153-F299 HydrophobicContact CB-CZ 3.84Å; E153-F299 VanDerWaalsContact CD-CZ 3.45Å; E153-F299 HydrophobicContact CG-CE1 4.16Å; E153-F299 HydrophobicContact CG-CE2 4.46Å; E153-F299 HydrophobicContact CG-CZ 3.78Å; V292-F299 HydrophobicContact CG1-CD1 4.24Å; V292-F299 HydrophobicContact CG2-CE1 4.33Å; R295-F299 HydrophobicContact CB-CB 3.76Å; R295-F299 HydrophobicContact CB-CD1 4.28Å; R295-F299 HydrophobicContact CB-CD2 4.04Å; R295-F299 HydrophobicContact CB-CG 3.78Å; R295-F299 HydrophobicContact CG-CD2 4.22Å; R295-F299 HydrophobicContact CG-CG 4.3Å; G296-F299 WeakPolarHBondContact O-CB 3.4Å; G296-F299 PolarHBondContact O-N 2.82Å; G296-F299 VanDerWaalsContact O-N 3.07Å; F299-N301 VanDerWaalsContact C-N 3.33Å; F299-N301 PolarHBondContact O-N 3.43Å; F299-N302 WeakPolarHBondContact O-CB 3.37Å; F299-N302 PolarHBondContact O-N 3.19Å; F299-N302 VanDerWaalsContact O-N 3.12Å; F299-L303 HydrophobicContact CE1-CD2 4.48Å; F299-L303 PolarHBondContact O-N 3Å |
| 300 | E | 91.3 | Very high | 89.1 | Confident | 77 Ų | 77 | 44.1 Ų | 44.1 | 36% | 0.36 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57 | -44.7 | 179.3 | -175.1 | 177.1 | -158 | 0 | 0 | 112.2 | V292 G296 N302 L303 S304 | V292-E300 HydrophobicContact CG1-CB 4.09Å; V292-E300 HydrophobicContact CG1-CG 4.23Å; G296-E300 PolarHBondContact O-N 3.13Å; G296-E300 VanDerWaalsContact O-N 3.11Å; E300-N302 PolarHBondContact O-N 2.56Å; E300-L303 PolarHBondContact O-N 3.42Å; E300-S304 PolarHBondContact O-N 3.21Å; E300-S304 PolarHBondContact O-OG 2.9Å |
| 301 | N | 89.3 | Confident | 87.7 | Confident | 83 Ų | 83 | 42.2 Ų | 42.2 | 44% | 0.444 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.8 | -36.5 | 177 | -74.2 | -33.2 | 0 | 0 | 0 | 112.8 | R297 F299 L303 S304 T305 | R297-N301 WeakPolarHBondContact O-CB 3.44Å; R297-N301 PolarHBondContact O-N 3.31Å; R297-N301 PolarHBondContact O-ND2 3.44Å; F299-N301 VanDerWaalsContact C-N 3.33Å; F299-N301 PolarHBondContact O-N 3.43Å; N301-L303 VanDerWaalsContact C-N 3.33Å; N301-S304 WeakPolarHBondContact CA-OG 3.3Å; N301-S304 PolarHBondContact O-OG 2.91Å; N301-T305 WeakPolarHBondContact O-CB 3.5Å; N301-T305 PolarHBondContact O-N 2.63Å; N301-T305 VanDerWaalsContact O-N 3.09Å; N301-T305 PolarHBondContact O-OG1 3.45Å |
| 302 | N | 92.6 | Very high | 86 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.3 | -42 | 173.5 | -68.6 | -20.2 | 0 | 0 | 0 | 110.1 | L138 V139 L142 S298 F299 E300 T305 Y306 K600 | L138-N302 HydrophobicContact CD2-CB 3.67Å; L138-N302 HydrophobicContact CG-CB 3.99Å; V139-N302 WeakPolarHBondContact CG2-ND2 3.44Å; L142-N302 HydrophobicContact CD1-CB 3.91Å; S298-N302 PolarHBondContact O-N 3.15Å; S298-N302 VanDerWaalsContact O-N 3.11Å; S298-N302 PolarHBondContact O-ND2 2.78Å; S298-N302 PolarHBondContact O-OD1 3.49Å; F299-N302 WeakPolarHBondContact O-CB 3.37Å; F299-N302 PolarHBondContact O-N 3.19Å; F299-N302 VanDerWaalsContact O-N 3.12Å; E300-N302 PolarHBondContact O-N 2.56Å; N302-T305 PolarHBondContact O-N 3.03Å; N302-Y306 WeakPolarHBondContact O-CB 3.3Å; N302-Y306 PolarHBondContact O-N 2.98Å; N302-K600 WeakPolarHBondContact OD1-CD 3.32Å; N302-K600 WeakPolarHBondContact OD1-CE 3.37Å; N302-K600 PolarHBondContact OD1-NZ 2.97Å |
| 303 | L | 93.2 | Very high | 84.1 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.6 | -43.2 | -178.6 | -171.5 | 60.6 | 0 | 0 | 0 | 111.8 | L138 I151 M154 V292 F299 E300 N301 Y306 R307 | L138-L303 HydrophobicContact CD1-CD1 4.15Å; L138-L303 HydrophobicContact CD2-CB 4.12Å; L138-L303 HydrophobicContact CD2-CD1 4.41Å; I151-L303 HydrophobicContact CD1-CD1 3.74Å; M154-L303 HydrophobicContact CB-CD1 4.31Å; M154-L303 HydrophobicContact CB-CD2 4.38Å; M154-L303 HydrophobicContact CE-CD1 4.12Å; M154-L303 HydrophobicContact SD-CD1 3.68Å; M154-L303 HydrophobicContact SD-CD2 4.47Å; M154-L303 HydrophobicContact SD-CG 4.33Å; V292-L303 HydrophobicContact CG1-CD2 4.02Å; V292-L303 HydrophobicContact CG2-CD2 3.78Å; F299-L303 HydrophobicContact CE1-CD2 4.48Å; F299-L303 PolarHBondContact O-N 3Å; E300-L303 PolarHBondContact O-N 3.42Å; N301-L303 VanDerWaalsContact C-N 3.33Å; L303-Y306 PolarHBondContact O-N 3.48Å; L303-R307 WeakPolarHBondContact O-CG 3.1Å; L303-R307 PolarHBondContact O-N 3.15Å |
| 304 | S | 91.2 | Very high | 82 | Confident | 59 Ų | 59 | 42 Ų | 42 | 41% | 0.413 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 176.1 | 66.1 | 0 | 0 | 0 | 0 | 111.8 | E300 N301 Y306 R307 L308 | E300-S304 PolarHBondContact O-N 3.21Å; E300-S304 PolarHBondContact O-OG 2.9Å; N301-S304 WeakPolarHBondContact CA-OG 3.3Å; N301-S304 PolarHBondContact O-OG 2.91Å; S304-Y306 VanDerWaalsContact C-N 3.35Å; S304-Y306 PolarHBondContact O-N 3.1Å; S304-R307 PolarHBondContact O-N 3.23Å; S304-L308 WeakPolarHBondContact O-CB 3.34Å; S304-L308 PolarHBondContact O-N 3.2Å |
| 305 | T | 91 | Very high | 80.2 | Confident | 15 Ų | 15 | 48.3 Ų | 48.3 | 9% | 0.092 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 174.7 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | L142 N301 N302 L308 L309 T599 K600 A603 | L142-T305 HydrophobicContact CD2-CG2 4.11Å; N301-T305 WeakPolarHBondContact O-CB 3.5Å; N301-T305 PolarHBondContact O-N 2.63Å; N301-T305 VanDerWaalsContact O-N 3.09Å; N301-T305 PolarHBondContact O-OG1 3.45Å; N302-T305 PolarHBondContact O-N 3.03Å; T305-L308 PolarHBondContact O-N 3.33Å; T305-L309 HydrophobicContact CG2-CD1 3.95Å; T305-L309 WeakPolarHBondContact O-CG 3.14Å; T305-L309 PolarHBondContact O-N 3.13Å; T305-L309 VanDerWaalsContact O-N 3.08Å; T305-T599 HydrophobicContact CG2-CG2 4.21Å; T305-K600 HydrophobicContact CG2-CG 4.4Å; T305-A603 HydrophobicContact CG2-CB 4.06Å |
| 306 | Y | 92.4 | Very high | 78.2 | Confident | 13 Ų | 13 | 51.2 Ų | 51.2 | 5% | 0.051 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 176.1 | 172.1 | -95.9 | 0 | 0 | 0 | 111 | L138 A141 L142 W148 V149 M154 N302 L303 S304 L308 L309 A310 | L138-Y306 HydrophobicContact CD1-CD1 4.46Å; L138-Y306 HydrophobicContact CD1-CG 3.98Å; A141-Y306 HydrophobicContact CB-CD2 4.36Å; A141-Y306 HydrophobicContact CB-CE2 4.26Å; L142-Y306 HydrophobicContact CD2-CD2 4.48Å; W148-Y306 WeakPolarHBondContact CA-OH 3.45Å; V149-Y306 HydrophobicContact CB-CE2 4.09Å; V149-Y306 HydrophobicContact CG1-CD1 3.93Å; V149-Y306 HydrophobicContact CG1-CD2 4.19Å; V149-Y306 HydrophobicContact CG1-CE1 3.4Å; V149-Y306 VanDerWaalsContact CG1-CE1 3.4Å; V149-Y306 HydrophobicContact CG1-CE2 3.69Å; V149-Y306 HydrophobicContact CG1-CG 4.3Å; V149-Y306 PolarHBondContact N-OH 2.99Å; M154-Y306 HydrophobicContact CE-CD1 4.46Å; M154-Y306 HydrophobicContact CE-CE1 4.17Å; N302-Y306 WeakPolarHBondContact O-CB 3.3Å; N302-Y306 PolarHBondContact O-N 2.98Å; L303-Y306 PolarHBondContact O-N 3.48Å; S304-Y306 VanDerWaalsContact C-N 3.35Å; S304-Y306 PolarHBondContact O-N 3.1Å; Y306-L308 VanDerWaalsContact C-N 3.3Å; Y306-L308 PolarHBondContact O-N 3.05Å; Y306-L309 PolarHBondContact O-N 3.2Å; Y306-L309 VanDerWaalsContact O-N 3.17Å; Y306-A310 HydrophobicContact CD1-CB 4.27Å; Y306-A310 HydrophobicContact CD2-CB 4.43Å; Y306-A310 HydrophobicContact CE1-CB 3.8Å; Y306-A310 HydrophobicContact CE2-CB 3.99Å; Y306-A310 WeakPolarHBondContact O-CB 3.2Å; Y306-A310 PolarHBondContact O-N 3.33Å |
| 307 | R | 89.1 | Confident | 76.5 | Confident | 113 Ų | 113 | 55.3 Ų | 55.3 | 43% | 0.426 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -54.6 | -47.1 | 176.7 | -75.7 | 175.5 | 179.4 | 171.3 | -1 | 111.1 | M154 L303 S304 L309 A310 S311 | M154-R307 HydrophobicContact SD-CG 4.28Å; M154-R307 PolarHBondContact SD-NE 3.28Å; M154-R307 PolarHBondContact SD-NH2 2.94Å; L303-R307 WeakPolarHBondContact O-CG 3.1Å; L303-R307 PolarHBondContact O-N 3.15Å; S304-R307 PolarHBondContact O-N 3.23Å; R307-L309 VanDerWaalsContact C-N 3.34Å; R307-L309 PolarHBondContact O-N 3.25Å; R307-A310 PolarHBondContact O-N 3.37Å; R307-S311 VanDerWaalsContact O-CB 3.25Å; R307-S311 WeakPolarHBondContact O-CB 3.28Å; R307-S311 PolarHBondContact O-N 3.45Å; R307-S311 PolarHBondContact O-OG 3.09Å |
| 308 | L | 85.4 | Confident | 75.4 | Confident | 24 Ų | 24 | 51.1 Ų | 51.1 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 179.2 | -174.1 | 66.1 | 0 | 0 | 0 | 113.5 | S304 T305 Y306 S311 V347 T350 Q607 | S304-L308 WeakPolarHBondContact O-CB 3.34Å; S304-L308 PolarHBondContact O-N 3.2Å; T305-L308 PolarHBondContact O-N 3.33Å; Y306-L308 VanDerWaalsContact C-N 3.3Å; Y306-L308 PolarHBondContact O-N 3.05Å; L308-S311 PolarHBondContact O-OG 2.98Å; L308-V347 HydrophobicContact CD2-CB 4.26Å; L308-V347 HydrophobicContact CD2-CG1 3.6Å; L308-V347 HydrophobicContact CD2-CG2 3.63Å; L308-V347 HydrophobicContact CG-CG1 4.3Å; L308-V347 HydrophobicContact CG-CG2 4.05Å; L308-T350 HydrophobicContact CD1-CG2 4.05Å; L308-Q607 HydrophobicContact CD2-CG 4.48Å |
| 309 | L | 84.3 | Confident | 74.2 | Confident | 17 Ų | 17 | 58.1 Ų | 58.1 | 9% | 0.089 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -83.6 | -23.2 | 179.7 | -69.6 | 171.5 | 0 | 0 | 0 | 113.2 | L142 T305 Y306 R307 R346 V347 T599 | L142-L309 HydrophobicContact CD2-CD1 4.16Å; T305-L309 HydrophobicContact CG2-CD1 3.95Å; T305-L309 WeakPolarHBondContact O-CG 3.14Å; T305-L309 PolarHBondContact O-N 3.13Å; T305-L309 VanDerWaalsContact O-N 3.08Å; Y306-L309 PolarHBondContact O-N 3.2Å; Y306-L309 VanDerWaalsContact O-N 3.17Å; R307-L309 VanDerWaalsContact C-N 3.34Å; R307-L309 PolarHBondContact O-N 3.25Å; L309-R346 HydrophobicContact CD2-CB 3.81Å; L309-V347 HydrophobicContact CD2-CG2 3.73Å; L309-V347 HydrophobicContact CG-CG2 4.41Å; L309-T599 HydrophobicContact CD1-CG2 3.39Å |
| 310 | A | 76.9 | Confident | 72.9 | Confident | 17 Ų | 17 | 65.2 Ų | 65.2 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -91.9 | -30.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K167 Y306 R307 Q312 | K167-A310 WeakPolarHBondContact CE-O 3.41Å; K167-A310 PolarHBondContact NZ-O 3.09Å; Y306-A310 HydrophobicContact CD1-CB 4.27Å; Y306-A310 HydrophobicContact CD2-CB 4.43Å; Y306-A310 HydrophobicContact CE1-CB 3.8Å; Y306-A310 HydrophobicContact CE2-CB 3.99Å; Y306-A310 WeakPolarHBondContact O-CB 3.2Å; Y306-A310 PolarHBondContact O-N 3.33Å; R307-A310 PolarHBondContact O-N 3.37Å; A310-Q312 PolarHBondContact O-N 2.89Å; A310-Q312 VanDerWaalsContact O-N 3.07Å |
| 311 | S | 64.4 | Low | 72 | Confident | 51 Ų | 51 | 63 Ų | 63 | 36% | 0.357 | 34% | 0.339 | S | S | . | . | trans | -71.5 | 100.3 | 174.7 | 61.2 | 0 | 0 | 0 | 0 | 109.1 | R307 L308 T313 | R307-S311 VanDerWaalsContact O-CB 3.25Å; R307-S311 WeakPolarHBondContact O-CB 3.28Å; R307-S311 PolarHBondContact O-N 3.45Å; R307-S311 PolarHBondContact O-OG 3.09Å; L308-S311 PolarHBondContact O-OG 2.98Å; S311-T313 PolarHBondContact O-N 2.93Å | ||
| 312 | Q | 57.5 | Low | 71.4 | Confident | 51 Ų | 51 | 62.4 Ų | 62.4 | 24% | 0.238 | 34% | 0.342 | C | S | . | . | trans | -78.1 | 89.6 | 148.7 | -87 | 172.1 | -31.4 | 0 | 0 | 105.5 | A310 A314 W375 | A310-Q312 PolarHBondContact O-N 2.89Å; A310-Q312 VanDerWaalsContact O-N 3.07Å; Q312-A314 PolarHBondContact O-N 2.84Å; Q312-W375 HydrophobicContact CG-CZ2 4.43Å | ||
| 313 | T | 52.1 | Low | 71.5 | Confident | 65 Ų | 65 | 63 Ų | 63 | 40% | 0.399 | 35% | 0.345 | S | S | . | . | trans | -50.4 | 127.4 | 152.2 | -46.9 | 0 | 0 | 0 | 0 | 105.2 | S311 R315 D317 | S311-T313 PolarHBondContact O-N 2.93Å; T313-R315 PolarHBondContact O-N 3.14Å; T313-R315 VanDerWaalsContact O-N 3.13Å; T313-D317 HydrophobicContact CG2-CB 3.87Å | ||
| 314 | A | 48.8 | Very low | 71.7 | Confident | 51 Ų | 51 | 63.7 Ų | 63.7 | 42% | 0.421 | 35% | 0.348 | S | S | . | . | trans | -46.4 | 128.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q312 S316 D317 | Q312-A314 PolarHBondContact O-N 2.84Å; A314-S316 WeakPolarHBondContact CB-OG 3.12Å; A314-S316 PolarHBondContact O-N 3.06Å; A314-D317 PolarHBondContact O-N 3.39Å | ||
| 315 | R | 51.1 | Low | 72 | Confident | 150 Ų | 150 | 60.9 Ų | 60.9 | 57% | 0.566 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -19.4 | -172.8 | -75.4 | -178.9 | 173.7 | 147.1 | 6.4 | 112.8 | D174 T313 D317 | D174-R315 IonicContact OD1-NH1 3.67Å; D174-R315 PolarHBondContact OD1-NH1 3.24Å; D174-R315 IonicContact OD2-CZ 3.43Å; D174-R315 IonicContact OD2-NH1 2.68Å; D174-R315 PolarHBondContact OD2-NH1 2.94Å; D174-R315 IonicContact OD2-NH2 3.69Å; D174-R315 PolarHBondContact OD2-NH2 3.21Å; T313-R315 PolarHBondContact O-N 3.14Å; T313-R315 VanDerWaalsContact O-N 3.13Å; R315-D317 VanDerWaalsContact C-N 3.33Å |
| 316 | S | 46.7 | Very low | 72.4 | Confident | 100 Ų | 100 | 60.2 Ų | 60.2 | 70% | 0.699 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26.2 | 172.6 | 52.1 | 0 | 0 | 0 | 0 | 115 | A314 | A314-S316 WeakPolarHBondContact CB-OG 3.12Å; A314-S316 PolarHBondContact O-N 3.06Å |
| 317 | D | 51.8 | Low | 72.7 | Confident | 110 Ų | 110 | 59.6 Ų | 59.6 | 59% | 0.588 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | -3.3 | -169.6 | -52.9 | -12.9 | 0 | 0 | 0 | 112 | T313 A314 R315 Q319 | T313-D317 HydrophobicContact CG2-CB 3.87Å; A314-D317 PolarHBondContact O-N 3.39Å; R315-D317 VanDerWaalsContact C-N 3.33Å; D317-Q319 PolarHBondContact O-N 3.2Å |
| 318 | L | 58.7 | Low | 73.1 | Confident | 38 Ų | 38 | 54.2 Ų | 54.2 | 20% | 0.199 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -70.1 | 120 | 174.2 | -68.8 | 169.9 | 0 | 0 | 0 | 109.5 | N320 T350 | L318-N320 PolarHBondContact O-N 2.97Å; L318-T350 VanDerWaalsContact CD2-O 3.22Å; L318-T350 WeakPolarHBondContact CD2-O 3.31Å |
| 319 | Q | 58.7 | Low | 73.8 | Confident | 180 Ų | 180 | 53 Ų | 53 | 84% | 0.841 | 30% | 0.296 | S | S | * | . | trans | -62.3 | 104.7 | 166.2 | -88.1 | 179.7 | -12.8 | 0 | 0 | 108.5 | D317 S321 | D317-Q319 PolarHBondContact O-N 3.2Å; Q319-S321 PolarHBondContact O-N 2.95Å | ||
| 320 | N | 64 | Low | 74.4 | Confident | 152 Ų | 152 | 52.2 Ų | 52.2 | 81% | 0.813 | 29% | 0.291 | S | S | * | . | trans | -60.7 | 106.8 | 173.5 | -82 | -28.4 | 0 | 0 | 0 | 109.3 | L318 | L318-N320 PolarHBondContact O-N 2.97Š| ||
| 321 | S | 72.5 | Confident | 75.4 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 21% | 0.21 | 29% | 0.286 | C | S | . | . | trans | -76.2 | 152.2 | 169.2 | 83.1 | 0 | 0 | 0 | 0 | 109.5 | Q319 F323 G352 H353 | Q319-S321 PolarHBondContact O-N 2.95Å; S321-F323 PolarHBondContact O-N 2.8Å; S321-F323 PolarHBondContact OG-N 3.29Å; S321-G352 WeakPolarHBondContact CB-O 3.45Å; S321-G352 PolarHBondContact N-O 3.32Å; S321-G352 VanDerWaalsContact OG-C 3.24Å; S321-G352 PolarHBondContact OG-O 3.41Å; S321-H353 WeakPolarHBondContact OG-CA 3.4Å; S321-H353 PolarHBondContact OG-ND1 3.16Å | ||
| 322 | S | 78.4 | Confident | 76.9 | Confident | 71 Ų | 71 | 50.6 Ų | 50.6 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -83.4 | 12.3 | 174.3 | 53.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 323 | F | 94.2 | Very high | 78.7 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | trans | -93.2 | 138.2 | -173.2 | -55.3 | -46.6 | 0 | 0 | 0 | 112.8 | S321 H353 K354 L613 K614 Y617 V622 | S321-F323 PolarHBondContact O-N 2.8Å; S321-F323 PolarHBondContact OG-N 3.29Å; F323-H353 AromaticContact CD2-CE1 3.73Å; F323-H353 AromaticContact CD2-ND1 3.83Å; F323-K354 PolarHBondContact O-N 3.3Å; F323-L613 HydrophobicContact CB-CD1 4Å; F323-L613 HydrophobicContact CD1-CD2 4.23Å; F323-L613 HydrophobicContact CD2-CB 4.05Å; F323-L613 HydrophobicContact CD2-CD1 4Å; F323-L613 HydrophobicContact CE2-CB 3.95Å; F323-L613 HydrophobicContact CG-CB 4.43Å; F323-L613 HydrophobicContact CG-CD1 4.01Å; F323-L613 HydrophobicContact CG-CD2 4.28Å; F323-L613 HydrophobicContact CZ-CB 4.25Å; F323-K614 HydrophobicContact CE2-CG 4.42Å; F323-Y617 AromaticContact CE1-CD2 3.5Å; F323-Y617 HydrophobicContact CE1-CD2 3.5Å; F323-Y617 VanDerWaalsContact CE1-CD2 3.5Å; F323-Y617 AromaticContact CE1-CE2 3.91Å; F323-Y617 HydrophobicContact CE1-CE2 3.91Å; F323-Y617 AromaticContact CE1-CG 3.97Å; F323-Y617 HydrophobicContact CE1-CG 3.97Å; F323-Y617 HydrophobicContact CZ-CD2 4.03Å; F323-Y617 HydrophobicContact CZ-CG 4.01Å; F323-V622 HydrophobicContact CD1-CG2 3.83Å; F323-V622 HydrophobicContact CE1-CG2 3.59Å | ||
| 324 | N | 97 | Very high | 80.7 | Confident | 17 Ų | 17 | 47.1 Ų | 47.1 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 119.7 | 174.1 | -63 | -8.5 | 0 | 0 | 0 | 108.9 | K354 F356 H410 N411 I412 T413 A414 | N324-K354 CarbonylContact C-O 3.56Å; N324-K354 VanDerWaalsContact CA-O 3.3Å; N324-K354 WeakPolarHBondContact CA-O 3.08Å; N324-K354 WeakPolarHBondContact OD1-CB 3.26Å; N324-F356 HydrophobicContact CB-CD2 3.98Å; N324-F356 HydrophobicContact CB-CE2 3.64Å; N324-H410 PolarHBondContact ND2-O 3.24Å; N324-N411 VanDerWaalsContact CB-O 3.26Å; N324-N411 WeakPolarHBondContact CB-O 3.48Å; N324-N411 PolarHBondContact ND2-O 3.46Å; N324-I412 HydrophobicContact CB-CD1 4.41Å; N324-T413 PolarHBondContact N-OG1 2.97Å; N324-T413 PolarHBondContact O-N 3.12Å; N324-T413 PolarHBondContact O-OG1 2.82Å; N324-A414 PolarHBondContact O-N 2.95Å |
| 325 | V | 98.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 123.7 | -177.8 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | H353 K354 M355 F356 A414 I606 I609 L613 | V325-H353 HydrophobicContact CG2-CB 4Å; V325-K354 PolarHBondContact N-O 3.4Å; V325-M355 HydrophobicContact CB-CE 3.89Å; V325-M355 HydrophobicContact CB-SD 3.8Å; V325-M355 HydrophobicContact CG1-CE 3.95Å; V325-M355 HydrophobicContact CG1-SD 4.46Å; V325-M355 HydrophobicContact CG2-SD 4.34Å; V325-M355 WeakPolarHBondContact O-CA 3.37Å; V325-F356 PolarHBondContact O-N 2.98Å; V325-A414 HydrophobicContact CG1-CB 4.16Å; V325-A414 HydrophobicContact CG2-CB 4.2Å; V325-I606 HydrophobicContact CG1-CD1 4.33Å; V325-I609 HydrophobicContact CG1-CG2 4.43Å; V325-I609 HydrophobicContact CG2-CG2 4.37Å; V325-L613 HydrophobicContact CG2-CD1 4.17Å |
| 326 | A | 98.6 | Very high | 85 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 135.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F356 V358 I412 A414 L415 L416 | A326-F356 CarbonylContact C-O 3.59Å; A326-F356 WeakPolarHBondContact CA-O 3.37Å; A326-F356 HydrophobicContact CB-CB 4.47Å; A326-V358 HydrophobicContact CB-CG2 4.19Å; A326-I412 HydrophobicContact CB-CD1 4.03Å; A326-I412 HydrophobicContact CB-CG1 4.34Å; A326-I412 HydrophobicContact CB-CG2 3.74Å; A326-A414 PolarHBondContact N-O 3.45Å; A326-L415 HydrophobicContact CB-CD1 3.76Å; A326-L416 PolarHBondContact O-N 3.32Å |
| 327 | V | 98.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.7 | 171.6 | 63.6 | 0 | 0 | 0 | 0 | 110.4 | V341 V345 F356 V358 L416 I418 | V327-V341 HydrophobicContact CG1-CG1 4.26Å; V327-V341 HydrophobicContact CG2-CG2 4.22Å; V327-V345 HydrophobicContact CG1-CG2 4.16Å; V327-F356 PolarHBondContact N-O 3.19Å; V327-V358 PolarHBondContact O-N 3.3Å; V327-L416 WeakPolarHBondContact CA-O 3.46Å; V327-L416 HydrophobicContact CB-CB 4.48Å; V327-L416 HydrophobicContact CG2-CB 4.37Å; V327-L416 HydrophobicContact CG2-CD2 4.07Å; V327-L416 HydrophobicContact CG2-CG 4.36Å; V327-I418 HydrophobicContact CG2-CD1 3.95Å |
| 328 | M | 98.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 159.5 | 179.3 | 82.3 | 177.4 | 88 | 0 | 0 | 112.5 | V330 V358 F362 F365 L415 L416 V417 I418 | M328-V330 HydrophobicContact CG-CG2 4.02Å; M328-V330 HydrophobicContact SD-CG2 3.91Å; M328-V358 HydrophobicContact CB-CB 3.76Å; M328-V358 HydrophobicContact CB-CG1 4.41Å; M328-V358 HydrophobicContact CB-CG2 4.34Å; M328-F362 HydrophobicContact CE-CE1 3.93Å; M328-F362 HydrophobicContact CE-CZ 4.04Å; M328-F362 HydrophobicContact SD-CD1 4.24Å; M328-F362 HydrophobicContact SD-CD2 4.27Å; M328-F362 HydrophobicContact SD-CE1 4Å; M328-F362 HydrophobicContact SD-CE2 3.99Å; M328-F362 HydrophobicContact SD-CG 4.38Å; M328-F362 HydrophobicContact SD-CZ 3.87Å; M328-F365 HydrophobicContact CE-CD2 3.45Å; M328-F365 VanDerWaalsContact CE-CD2 3.45Å; M328-F365 HydrophobicContact CE-CE2 3.6Å; M328-F365 HydrophobicContact SD-CD2 4.26Å; M328-L415 HydrophobicContact CE-CD1 3.31Å; M328-L415 HydrophobicContact CE-CD2 3.83Å; M328-L415 HydrophobicContact CE-CG 3.89Å; M328-L416 PolarHBondContact N-O 2.99Å; M328-V417 HydrophobicContact CE-CG2 4.31Å; M328-V417 HydrophobicContact CG-CG1 4.11Å; M328-V417 HydrophobicContact CG-CG2 4.33Å; M328-I418 PolarHBondContact O-N 2.86Å |
| 329 | N | 98.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 136.6 | 173.3 | -63.9 | -13.5 | 0 | 0 | 0 | 111 | M337 V341 G361 S387 T391 I418 | N329-M337 HydrophobicContact CB-SD 4.43Å; N329-V341 WeakPolarHBondContact OD1-CG2 3.46Å; N329-G361 VanDerWaalsContact O-CA 3.23Å; N329-G361 WeakPolarHBondContact O-CA 3.41Å; N329-S387 PolarHBondContact ND2-OG 2.98Å; N329-T391 PolarHBondContact O-OG1 3.36Å; N329-I418 CarbonylContact C-O 3.58Å; N329-I418 WeakPolarHBondContact CA-O 3.01Å; N329-I418 WeakPolarHBondContact OD1-CB 3.43Å |
| 330 | V | 98.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 138.3 | -178.3 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | M328 F362 T391 V417 I418 G419 G420 E422 A423 | M328-V330 HydrophobicContact CG-CG2 4.02Å; M328-V330 HydrophobicContact SD-CG2 3.91Å; V330-F362 HydrophobicContact CG1-CD2 4.43Å; V330-F362 HydrophobicContact CG2-CD2 3.82Å; V330-F362 HydrophobicContact CG2-CE2 3.79Å; V330-T391 VanDerWaalsContact C-OG1 3.29Å; V330-T391 WeakPolarHBondContact CA-OG1 3.44Å; V330-T391 PolarHBondContact N-OG1 2.95Å; V330-V417 HydrophobicContact CB-CG1 4.05Å; V330-V417 HydrophobicContact CG2-CG1 3.72Å; V330-I418 PolarHBondContact N-O 3.02Å; V330-G419 WeakPolarHBondContact O-CA 3.45Å; V330-G420 PolarHBondContact O-N 3.1Å; V330-E422 HydrophobicContact CG1-CB 3.94Å; V330-A423 HydrophobicContact CB-CB 3.93Å; V330-A423 HydrophobicContact CG1-CB 4.18Å |
| 331 | G | 96.6 | Very high | 95 | Very high | 3 Ų | 3 | 10 Ų | 10 | 3% | 0.031 | 7% | 0.069 | C | C | . | . | S | Bend | trans | 102 | -152.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | T391 K392 | G331-T391 PolarHBondContact N-OG1 3.4Å; G331-T391 WeakPolarHBondContact O-CG2 3.36Å; G331-T391 PolarHBondContact O-OG1 3.11Å; G331-K392 PolarHBondContact N-O 3.37Å |
| 332 | A | 95.6 | Very high | 96.1 | Very high | 31 Ų | 31 | 9 Ų | 9 | 26% | 0.256 | 6% | 0.06 | S | C | . | . | S | Bend | trans | -78.6 | 150.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A334 M337 | A332-A334 PolarHBondContact O-N 3.17Å; A332-M337 VanDerWaalsContact O-CE 3.3Å; A332-M337 WeakPolarHBondContact O-CE 3.43Å |
| 333 | P | 95.3 | Very high | 97 | Very high | 41 Ų | 41 | 5.7 Ų | 5.7 | 27% | 0.266 | 4% | 0.037 | S | C | . | . | trans | -63.1 | 137.4 | 175.2 | 26.6 | -33.8 | 0 | 0 | 0 | 110.9 | T391 | P333-T391 HydrophobicContact CB-CG2 4.14Š| ||
| 334 | A | 95.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 5 Ų | 5 | 1% | 0.008 | 3% | 0.034 | C | C | . | . | trans | -133.1 | 138.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | A332 G336 M337 A449 L462 | A332-A334 PolarHBondContact O-N 3.17Å; A334-G336 PolarHBondContact O-N 3.07Å; A334-M337 HydrophobicContact CB-CE 3.96Å; A334-M337 HydrophobicContact CB-CG 4.37Å; A334-M337 HydrophobicContact CB-SD 4.37Å; A334-M337 PolarHBondContact N-SD 2.97Å; A334-M337 VanDerWaalsContact O-CG 3.28Å; A334-M337 WeakPolarHBondContact O-CG 3.49Å; A334-M337 PolarHBondContact O-N 2.66Å; A334-A449 HydrophobicContact CB-CB 4.48Å; A334-L462 WeakPolarHBondContact CB-O 3.32Å | ||
| 335 | A | 94.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 4.2 Ų | 4.2 | 2% | 0.017 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 134.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | G463 T466 P590 | A335-G463 WeakPolarHBondContact O-CA 3.42Å; A335-G463 PolarHBondContact O-N 3.44Å; A335-T466 HydrophobicContact CB-CG2 3.58Å; A335-P590 HydrophobicContact CB-CB 3.84Å |
| 336 | G | 95.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.033 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.7 | -14.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | A334 N338 A339 A340 | A334-G336 PolarHBondContact O-N 3.07Å; G336-N338 VanDerWaalsContact C-N 3.31Å; G336-N338 PolarHBondContact O-N 3.46Å; G336-A339 WeakPolarHBondContact O-CB 3.42Å; G336-A339 PolarHBondContact O-N 2.68Å; G336-A339 VanDerWaalsContact O-N 3.15Å; G336-A340 PolarHBondContact O-N 3.34Å |
| 337 | M | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -55.1 | -45.2 | 172.7 | -75.2 | 179.2 | 166.8 | 0 | 0 | 112 | N329 A332 A334 A339 A340 V341 I418 A449 | N329-M337 HydrophobicContact CB-SD 4.43Å; A332-M337 VanDerWaalsContact O-CE 3.3Å; A332-M337 WeakPolarHBondContact O-CE 3.43Å; A334-M337 HydrophobicContact CB-CE 3.96Å; A334-M337 HydrophobicContact CB-CG 4.37Å; A334-M337 HydrophobicContact CB-SD 4.37Å; A334-M337 PolarHBondContact N-SD 2.97Å; A334-M337 VanDerWaalsContact O-CG 3.28Å; A334-M337 WeakPolarHBondContact O-CG 3.49Å; A334-M337 PolarHBondContact O-N 2.66Å; M337-A339 VanDerWaalsContact C-N 3.33Å; M337-A339 PolarHBondContact O-N 2.82Å; M337-A340 WeakPolarHBondContact O-CB 3.43Å; M337-A340 PolarHBondContact O-N 3.48Å; M337-V341 WeakPolarHBondContact O-CG2 3.5Å; M337-V341 PolarHBondContact O-N 3.3Å; M337-I418 HydrophobicContact CB-CG2 4.49Å; M337-I418 HydrophobicContact CG-CG2 4.06Å; M337-A449 HydrophobicContact CE-CB 3.56Å; M337-A449 HydrophobicContact CG-CB 3.89Å |
| 338 | N | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -65.6 | -34.9 | 179.4 | -61.9 | -37.7 | 0 | 0 | 0 | 112.8 | G336 R342 W381 Q384 G385 G386 L388 | G336-N338 VanDerWaalsContact C-N 3.31Å; G336-N338 PolarHBondContact O-N 3.46Å; N338-R342 WeakPolarHBondContact O-CB 3.38Å; N338-R342 PolarHBondContact O-N 3.45Å; N338-W381 HydrophobicContact CB-CB 4.18Å; N338-W381 HydrophobicContact CB-CE3 4.35Å; N338-W381 VanDerWaalsContact CB-O 3.28Å; N338-W381 WeakPolarHBondContact CB-O 3.28Å; N338-Q384 PolarHBondContact ND2-O 3.12Å; N338-G385 PolarHBondContact ND2-O 2.83Å; N338-G386 PolarHBondContact ND2-O 2.84Å; N338-L388 HydrophobicContact CB-CD1 4.42Å; N338-L388 PolarHBondContact OD1-N 3.26Å |
| 339 | A | 97.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 6.8 Ų | 6.8 | 1% | 0.008 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -66 | -41.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G336 M337 R342 S343 T382 | G336-A339 WeakPolarHBondContact O-CB 3.42Å; G336-A339 PolarHBondContact O-N 2.68Å; G336-A339 VanDerWaalsContact O-N 3.15Å; M337-A339 VanDerWaalsContact C-N 3.33Å; M337-A339 PolarHBondContact O-N 2.82Å; A339-R342 PolarHBondContact O-N 2.86Å; A339-S343 WeakPolarHBondContact O-CB 3.3Å; A339-S343 PolarHBondContact O-N 3.46Å; A339-T382 HydrophobicContact CB-CG2 3.92Å |
| 340 | A | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -63.8 | -48.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | G336 M337 R342 S343 A344 I418 L447 L462 G598 A602 | G336-A340 PolarHBondContact O-N 3.34Å; M337-A340 WeakPolarHBondContact O-CB 3.43Å; M337-A340 PolarHBondContact O-N 3.48Å; A340-R342 VanDerWaalsContact C-N 3.34Å; A340-R342 PolarHBondContact O-N 2.83Å; A340-S343 PolarHBondContact O-N 2.91Å; A340-A344 WeakPolarHBondContact O-CB 3.44Å; A340-A344 PolarHBondContact O-N 3.25Å; A340-I418 HydrophobicContact CB-CD1 3.81Å; A340-I418 HydrophobicContact CB-CG2 4.44Å; A340-L447 HydrophobicContact CB-CD1 4.44Å; A340-L462 HydrophobicContact CB-CD1 3.92Å; A340-G598 WeakPolarHBondContact CA-O 3.31Å; A340-A602 HydrophobicContact CB-CB 4.03Å; A340-A602 WeakPolarHBondContact O-CB 3.47Å |
| 341 | V | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -57.3 | -47.3 | 175.2 | 174.9 | 0 | 0 | 0 | 0 | 111 | V327 N329 M337 S343 A344 V345 W381 L389 I418 | V327-V341 HydrophobicContact CG1-CG1 4.26Å; V327-V341 HydrophobicContact CG2-CG2 4.22Å; N329-V341 WeakPolarHBondContact OD1-CG2 3.46Å; M337-V341 WeakPolarHBondContact O-CG2 3.5Å; M337-V341 PolarHBondContact O-N 3.3Å; V341-S343 VanDerWaalsContact C-N 3.33Å; V341-S343 PolarHBondContact O-N 2.94Å; V341-A344 PolarHBondContact O-N 3.37Å; V341-V345 HydrophobicContact CG1-CG2 4.24Å; V341-V345 WeakPolarHBondContact O-CG2 3.35Å; V341-V345 PolarHBondContact O-N 3.24Å; V341-W381 HydrophobicContact CB-CE3 4.29Å; V341-W381 HydrophobicContact CB-CZ3 4.19Å; V341-W381 HydrophobicContact CG1-CE3 4.08Å; V341-W381 HydrophobicContact CG1-CZ3 3.63Å; V341-L389 HydrophobicContact CG1-CD1 3.95Å; V341-L389 HydrophobicContact CG1-CG 4.43Å; V341-L389 HydrophobicContact CG2-CD1 3.91Å; V341-I418 HydrophobicContact CG2-CD1 3.71Å |
| 342 | R | 96.6 | Very high | 94.9 | Very high | 9 Ų | 9 | 10.7 Ų | 10.7 | 3% | 0.034 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -57.3 | -47.7 | 178.8 | 175.1 | -175.3 | 169.4 | -82.3 | 5.1 | 111.8 | N338 A339 A340 R346 V378 W381 T382 | N338-R342 WeakPolarHBondContact O-CB 3.38Å; N338-R342 PolarHBondContact O-N 3.45Å; A339-R342 PolarHBondContact O-N 2.86Å; A340-R342 VanDerWaalsContact C-N 3.34Å; A340-R342 PolarHBondContact O-N 2.83Å; R342-R346 WeakPolarHBondContact O-CB 3.47Å; R342-R346 WeakPolarHBondContact O-CG 3.42Å; R342-R346 PolarHBondContact O-N 2.97Å; R342-V378 HydrophobicContact CB-CB 4.03Å; R342-V378 HydrophobicContact CB-CG2 4.33Å; R342-V378 WeakPolarHBondContact CD-O 3.34Å; R342-V378 HydrophobicContact CG-CB 4.02Å; R342-V378 HydrophobicContact CG-CG2 3.91Å; R342-V378 WeakPolarHBondContact CG-O 3.48Å; R342-W381 HydrophobicContact CB-CB 4.14Å; R342-T382 WeakPolarHBondContact CD-OG1 3.48Å; R342-T382 PolarHBondContact NE-OG1 3.37Å |
| 343 | S | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -64.7 | -44.9 | -179.9 | -173.9 | 0 | 0 | 0 | 0 | 111.1 | A339 A340 V341 V345 R346 V347 T599 | A339-S343 WeakPolarHBondContact O-CB 3.3Å; A339-S343 PolarHBondContact O-N 3.46Å; A340-S343 PolarHBondContact O-N 2.91Å; V341-S343 VanDerWaalsContact C-N 3.33Å; V341-S343 PolarHBondContact O-N 2.94Å; S343-V345 PolarHBondContact O-N 2.99Å; S343-R346 PolarHBondContact O-N 2.83Å; S343-V347 WeakPolarHBondContact O-CB 3.28Å; S343-V347 VanDerWaalsContact O-CG2 3.31Å; S343-V347 WeakPolarHBondContact O-CG2 3.21Å; S343-V347 PolarHBondContact O-N 3.11Å; S343-T599 WeakPolarHBondContact CB-O 3.07Å; S343-T599 PolarHBondContact OG-O 2.88Å |
| 344 | A | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -57.7 | -47.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | A340 V341 G348 L416 A602 I606 | A340-A344 WeakPolarHBondContact O-CB 3.44Å; A340-A344 PolarHBondContact O-N 3.25Å; V341-A344 PolarHBondContact O-N 3.37Å; A344-G348 PolarHBondContact O-N 2.92Å; A344-L416 HydrophobicContact CB-CD2 3.44Å; A344-L416 VanDerWaalsContact CB-CD2 3.44Å; A344-A602 HydrophobicContact CB-CB 4.18Å; A344-I606 HydrophobicContact CB-CD1 4.12Å; A344-I606 HydrophobicContact CB-CG1 3.93Å |
| 345 | V | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.8 | -47.4 | 179.3 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | V327 V341 S343 G348 I349 M355 I373 V378 | V327-V345 HydrophobicContact CG1-CG2 4.16Å; V341-V345 HydrophobicContact CG1-CG2 4.24Å; V341-V345 WeakPolarHBondContact O-CG2 3.35Å; V341-V345 PolarHBondContact O-N 3.24Å; S343-V345 PolarHBondContact O-N 2.99Å; V345-G348 PolarHBondContact O-N 2.92Å; V345-I349 HydrophobicContact CG1-CD1 3.83Å; V345-I349 WeakPolarHBondContact O-CD1 3.46Å; V345-I349 VanDerWaalsContact O-CG1 3.24Å; V345-I349 WeakPolarHBondContact O-CG1 3.41Å; V345-I349 PolarHBondContact O-N 3.31Å; V345-M355 HydrophobicContact CG1-CB 4.38Å; V345-I373 HydrophobicContact CB-CG2 4.47Å; V345-I373 HydrophobicContact CG1-CG1 4.4Å; V345-I373 HydrophobicContact CG1-CG2 3.98Å; V345-I373 HydrophobicContact CG2-CD1 4.28Å; V345-I373 HydrophobicContact CG2-CG1 4.49Å; V345-I373 HydrophobicContact CG2-CG2 3.59Å; V345-V378 HydrophobicContact CB-CG1 4.08Å; V345-V378 HydrophobicContact CB-CG2 4.22Å; V345-V378 HydrophobicContact CG1-CG1 4.14Å; V345-V378 HydrophobicContact CG1-CG2 4.04Å; V345-V378 HydrophobicContact CG2-CG1 4.04Å |
| 346 | R | 93.1 | Very high | 95.1 | Very high | 19 Ų | 19 | 14.3 Ų | 14.3 | 7% | 0.072 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66 | -47.6 | -178 | -73.7 | -174.4 | 173.6 | -149.2 | -6.4 | 112.2 | L309 R342 S343 G348 I349 T350 W375 V378 | L309-R346 HydrophobicContact CD2-CB 3.81Å; R342-R346 WeakPolarHBondContact O-CB 3.47Å; R342-R346 WeakPolarHBondContact O-CG 3.42Å; R342-R346 PolarHBondContact O-N 2.97Å; S343-R346 PolarHBondContact O-N 2.83Å; R346-G348 VanDerWaalsContact C-N 3.34Å; R346-G348 PolarHBondContact O-N 3.21Å; R346-I349 PolarHBondContact O-N 3.01Å; R346-T350 PolarHBondContact O-N 2.86Å; R346-T350 PolarHBondContact O-OG1 3.34Å; R346-T350 VanDerWaalsContact O-OG1 3.11Å; R346-W375 HydrophobicContact CB-CE3 3.88Å; R346-W375 HydrophobicContact CB-CH2 3.96Å; R346-W375 HydrophobicContact CB-CZ3 3.57Å; R346-W375 HydrophobicContact CG-CD2 3.9Å; R346-W375 HydrophobicContact CG-CE3 3.71Å; R346-W375 HydrophobicContact CG-CH2 4.1Å; R346-W375 HydrophobicContact CG-CZ2 4.26Å; R346-W375 HydrophobicContact CG-CZ3 3.82Å; R346-W375 WeakPolarHBondContact O-CZ3 3.27Å; R346-V378 HydrophobicContact CG-CG2 4.11Å |
| 347 | V | 93.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.9 | -42.2 | 177.9 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | L308 L309 S343 I349 T350 E351 A603 I606 Q607 | L308-V347 HydrophobicContact CD2-CB 4.26Å; L308-V347 HydrophobicContact CD2-CG1 3.6Å; L308-V347 HydrophobicContact CD2-CG2 3.63Å; L308-V347 HydrophobicContact CG-CG1 4.3Å; L308-V347 HydrophobicContact CG-CG2 4.05Å; L309-V347 HydrophobicContact CD2-CG2 3.73Å; L309-V347 HydrophobicContact CG-CG2 4.41Å; S343-V347 WeakPolarHBondContact O-CB 3.28Å; S343-V347 VanDerWaalsContact O-CG2 3.31Å; S343-V347 WeakPolarHBondContact O-CG2 3.21Å; S343-V347 PolarHBondContact O-N 3.11Å; V347-I349 VanDerWaalsContact C-N 3.31Å; V347-I349 PolarHBondContact O-N 3.46Å; V347-T350 CarbonylContact O-C 3.59Å; V347-T350 WeakPolarHBondContact O-CB 3.29Å; V347-T350 PolarHBondContact O-N 3.26Å; V347-T350 VanDerWaalsContact O-N 3.1Å; V347-E351 HydrophobicContact CG1-CG 4.26Å; V347-E351 WeakPolarHBondContact O-CG 3.11Å; V347-E351 PolarHBondContact O-N 3.38Å; V347-A603 HydrophobicContact CG2-CB 3.84Å; V347-I606 HydrophobicContact CB-CB 4.34Å; V347-I606 HydrophobicContact CB-CG2 4.26Å; V347-I606 HydrophobicContact CG1-CB 3.93Å; V347-I606 HydrophobicContact CG1-CG2 3.71Å; V347-Q607 HydrophobicContact CG1-CG 4.45Å |
| 348 | G | 94.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.2 | -39.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A344 V345 R346 E351 G352 H353 | A344-G348 PolarHBondContact O-N 2.92Å; V345-G348 PolarHBondContact O-N 2.92Å; R346-G348 VanDerWaalsContact C-N 3.34Å; R346-G348 PolarHBondContact O-N 3.21Å; G348-E351 PolarHBondContact O-N 3.15Å; G348-G352 PolarHBondContact O-N 2.94Å; G348-H353 VanDerWaalsContact O-CB 3.31Å; G348-H353 WeakPolarHBondContact O-CB 3.44Å; G348-H353 PolarHBondContact O-N 3.45Å |
| 349 | I | 91.8 | Very high | 95.2 | Very high | 36 Ų | 36 | 16.5 Ų | 16.5 | 19% | 0.185 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.3 | -42.3 | 173.2 | -68.3 | 166.4 | 0 | 0 | 0 | 111.2 | V345 R346 V347 E351 G352 M355 W375 | V345-I349 HydrophobicContact CG1-CD1 3.83Å; V345-I349 WeakPolarHBondContact O-CD1 3.46Å; V345-I349 VanDerWaalsContact O-CG1 3.24Å; V345-I349 WeakPolarHBondContact O-CG1 3.41Å; V345-I349 PolarHBondContact O-N 3.31Å; R346-I349 PolarHBondContact O-N 3.01Å; V347-I349 VanDerWaalsContact C-N 3.31Å; V347-I349 PolarHBondContact O-N 3.46Å; I349-E351 VanDerWaalsContact C-N 3.27Å; I349-E351 PolarHBondContact O-N 3.48Å; I349-G352 WeakPolarHBondContact O-CA 3.45Å; I349-G352 PolarHBondContact O-N 3.12Å; I349-M355 HydrophobicContact CG1-CG 3.91Å; I349-W375 HydrophobicContact CB-CE3 4.45Å; I349-W375 HydrophobicContact CD1-CB 4.12Å; I349-W375 HydrophobicContact CG2-CE3 4.35Å |
| 350 | T | 88.4 | Confident | 95.2 | Very high | 24 Ų | 24 | 18.9 Ų | 18.9 | 15% | 0.147 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.6 | -31.9 | 176 | -58.5 | 0 | 0 | 0 | 0 | 112.4 | L308 L318 R346 V347 G352 | L308-T350 HydrophobicContact CD1-CG2 4.05Å; L318-T350 VanDerWaalsContact CD2-O 3.22Å; L318-T350 WeakPolarHBondContact CD2-O 3.31Å; R346-T350 PolarHBondContact O-N 2.86Å; R346-T350 PolarHBondContact O-OG1 3.34Å; R346-T350 VanDerWaalsContact O-OG1 3.11Å; V347-T350 CarbonylContact O-C 3.59Å; V347-T350 WeakPolarHBondContact O-CB 3.29Å; V347-T350 PolarHBondContact O-N 3.26Å; V347-T350 VanDerWaalsContact O-N 3.1Å; T350-G352 PolarHBondContact O-N 2.72Å |
| 351 | E | 89.3 | Confident | 95.2 | Very high | 52 Ų | 52 | 18.9 Ų | 18.9 | 24% | 0.243 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 1.4 | 172.7 | -65.2 | -68.9 | 165.8 | 0 | 0 | 113 | V347 G348 I349 I606 T610 | V347-E351 HydrophobicContact CG1-CG 4.26Å; V347-E351 WeakPolarHBondContact O-CG 3.11Å; V347-E351 PolarHBondContact O-N 3.38Å; G348-E351 PolarHBondContact O-N 3.15Å; I349-E351 VanDerWaalsContact C-N 3.27Å; I349-E351 PolarHBondContact O-N 3.48Å; E351-I606 HydrophobicContact CG-CG2 4.48Å; E351-T610 HydrophobicContact CB-CG2 4.22Å; E351-T610 HydrophobicContact CG-CG2 4.38Å |
| 352 | G | 89.6 | Confident | 95.2 | Very high | 8 Ų | 8 | 19 Ų | 19 | 8% | 0.082 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | 15.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | S321 G348 I349 T350 | S321-G352 WeakPolarHBondContact CB-O 3.45Å; S321-G352 PolarHBondContact N-O 3.32Å; S321-G352 VanDerWaalsContact OG-C 3.24Å; S321-G352 PolarHBondContact OG-O 3.41Å; G348-G352 PolarHBondContact O-N 2.94Å; I349-G352 WeakPolarHBondContact O-CA 3.45Å; I349-G352 PolarHBondContact O-N 3.12Å; T350-G352 PolarHBondContact O-N 2.72Å |
| 353 | H | 93.4 | Very high | 95.2 | Very high | 9 Ų | 9 | 21.1 Ų | 21.1 | 4% | 0.042 | 10% | 0.104 | C | C | . | . | P | Polyproline II helix | trans | -86.2 | 150.1 | 179.2 | -53.4 | -33.2 | 0 | 0 | 0 | 112.2 | S321 F323 V325 G348 M355 T610 | S321-H353 WeakPolarHBondContact OG-CA 3.4Å; S321-H353 PolarHBondContact OG-ND1 3.16Å; F323-H353 AromaticContact CD2-CE1 3.73Å; F323-H353 AromaticContact CD2-ND1 3.83Å; V325-H353 HydrophobicContact CG2-CB 4Å; G348-H353 VanDerWaalsContact O-CB 3.31Å; G348-H353 WeakPolarHBondContact O-CB 3.44Å; G348-H353 PolarHBondContact O-N 3.45Å; H353-M355 HydrophobicContact CB-SD 4.04Å; H353-T610 WeakPolarHBondContact NE2-CB 3.37Å; H353-T610 PolarHBondContact NE2-OG1 3.4Å |
| 354 | K | 96.1 | Very high | 95.2 | Very high | 119 Ų | 119 | 21.1 Ų | 21.1 | 52% | 0.517 | 10% | 0.104 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 122.3 | 164 | -69.2 | -176.9 | -179.9 | 179.8 | 0 | 109.2 | F323 N324 V325 F356 | F323-K354 PolarHBondContact O-N 3.3Å; N324-K354 CarbonylContact C-O 3.56Å; N324-K354 VanDerWaalsContact CA-O 3.3Å; N324-K354 WeakPolarHBondContact CA-O 3.08Å; N324-K354 WeakPolarHBondContact OD1-CB 3.26Å; V325-K354 PolarHBondContact N-O 3.4Å; K354-F356 HydrophobicContact CB-CE2 4.01Å |
| 355 | M | 97.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 135 | -176.9 | -58.7 | -55.4 | -64.4 | 0 | 0 | 110.6 | V325 V345 I349 H353 E372 I373 I606 | V325-M355 HydrophobicContact CB-CE 3.89Å; V325-M355 HydrophobicContact CB-SD 3.8Å; V325-M355 HydrophobicContact CG1-CE 3.95Å; V325-M355 HydrophobicContact CG1-SD 4.46Å; V325-M355 HydrophobicContact CG2-SD 4.34Å; V325-M355 WeakPolarHBondContact O-CA 3.37Å; V345-M355 HydrophobicContact CG1-CB 4.38Å; I349-M355 HydrophobicContact CG1-CG 3.91Å; H353-M355 HydrophobicContact CB-SD 4.04Å; M355-E372 WeakPolarHBondContact O-CA 3.34Å; M355-I373 HydrophobicContact CB-CG2 3.78Å; M355-I373 PolarHBondContact O-N 2.7Å; M355-I606 HydrophobicContact CE-CD1 4.14Å |
| 356 | F | 98.5 | Very high | 95.3 | Very high | 22 Ų | 22 | 23.8 Ų | 23.8 | 10% | 0.096 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 133 | 176.2 | -70.5 | -94.1 | 0 | 0 | 0 | 110.3 | N324 V325 A326 V327 K354 I370 K371 E372 I412 | N324-F356 HydrophobicContact CB-CD2 3.98Å; N324-F356 HydrophobicContact CB-CE2 3.64Å; V325-F356 PolarHBondContact O-N 2.98Å; A326-F356 CarbonylContact C-O 3.59Å; A326-F356 WeakPolarHBondContact CA-O 3.37Å; A326-F356 HydrophobicContact CB-CB 4.47Å; V327-F356 PolarHBondContact N-O 3.19Å; K354-F356 HydrophobicContact CB-CE2 4.01Å; F356-I370 HydrophobicContact CB-CG2 3.96Å; F356-I370 HydrophobicContact CD1-CG2 3.96Å; F356-I370 HydrophobicContact CG-CG2 4.33Å; F356-K371 CarbonylContact C-O 3.4Å; F356-K371 WeakPolarHBondContact CA-O 3.39Å; F356-E372 HydrophobicContact CD1-CB 4.37Å; F356-E372 HydrophobicContact CE1-CB 4.12Å; F356-I412 HydrophobicContact CB-CD1 4.14Å; F356-I412 HydrophobicContact CD2-CD1 3.92Å; F356-I412 HydrophobicContact CG-CD1 3.98Å |
| 357 | A | 98.2 | Very high | 95.5 | Very high | 5 Ų | 5 | 27.8 Ų | 27.8 | 4% | 0.041 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 126.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | K371 I373 L389 | A357-K371 PolarHBondContact N-O 2.78Å; A357-K371 PolarHBondContact O-N 3.22Å; A357-I373 HydrophobicContact CB-CB 3.97Å; A357-I373 HydrophobicContact CB-CD1 3.88Å; A357-I373 HydrophobicContact CB-CG2 4.07Å; A357-L389 HydrophobicContact CB-CD1 4.47Å; A357-L389 HydrophobicContact CB-CD2 3.7Å |
| 358 | V | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 120.1 | 171.2 | -175.9 | 0 | 0 | 0 | 0 | 108 | A326 V327 M328 G361 F365 I370 | A326-V358 HydrophobicContact CB-CG2 4.19Å; V327-V358 PolarHBondContact O-N 3.3Å; M328-V358 HydrophobicContact CB-CB 3.76Å; M328-V358 HydrophobicContact CB-CG1 4.41Å; M328-V358 HydrophobicContact CB-CG2 4.34Å; V358-G361 WeakPolarHBondContact CG1-O 3.34Å; V358-F365 HydrophobicContact CB-CD2 4.38Å; V358-F365 HydrophobicContact CG1-CB 3.7Å; V358-F365 HydrophobicContact CG1-CD2 3.77Å; V358-F365 HydrophobicContact CG1-CG 3.97Å; V358-F365 HydrophobicContact CG2-CD2 3.86Å; V358-F365 HydrophobicContact CG2-CE2 3.96Å; V358-I370 HydrophobicContact CG1-CG1 4.44Å; V358-I370 HydrophobicContact CG2-CD1 4.48Å; V358-I370 HydrophobicContact CG2-CG1 4.18Å; V358-I370 HydrophobicContact CG2-CG2 4.39Å |
| 359 | N | 97.8 | Very high | 95.8 | Very high | 41 Ų | 41 | 32.5 Ų | 32.5 | 22% | 0.219 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 150.5 | 178.4 | -58.7 | -73.2 | 0 | 0 | 0 | 110.9 | G361 G364 Q369 L389 | N359-G361 PolarHBondContact O-N 2.63Å; N359-G361 VanDerWaalsContact O-N 3.12Å; N359-G364 WeakPolarHBondContact O-CA 3.24Å; N359-Q369 HydrophobicContact CB-CB 4.33Å; N359-Q369 PolarHBondContact N-O 2.92Å; N359-Q369 VanDerWaalsContact N-O 3.14Å; N359-Q369 PolarHBondContact ND2-O 2.97Å; N359-Q369 VanDerWaalsContact ND2-O 3.14Å; N359-L389 CarbonylContact C-O 3.4Å; N359-L389 WeakPolarHBondContact CA-O 3.5Å |
| 360 | D | 97.1 | Very high | 96.1 | Very high | 51 Ų | 51 | 31.3 Ų | 31.3 | 27% | 0.273 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 30.4 | 174.9 | -69.8 | -45.9 | 0 | 0 | 0 | 115.2 | E363 G364 L389 K392 | D360-E363 PolarHBondContact O-N 3.09Å; D360-G364 PolarHBondContact O-N 2.76Å; D360-L389 PolarHBondContact N-O 2.87Å; D360-K392 HydrophobicContact CB-CG 4.06Å; D360-K392 WeakPolarHBondContact O-CG 3.38Å; D360-K392 WeakPolarHBondContact OD1-CE 3.41Å |
| 361 | G | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | 60.5 | -143 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | N329 V358 N359 E363 G364 F365 | N329-G361 VanDerWaalsContact O-CA 3.23Å; N329-G361 WeakPolarHBondContact O-CA 3.41Å; V358-G361 WeakPolarHBondContact CG1-O 3.34Å; N359-G361 PolarHBondContact O-N 2.63Å; N359-G361 VanDerWaalsContact O-N 3.12Å; G361-E363 PolarHBondContact O-N 3.26Å; G361-G364 PolarHBondContact O-N 3.48Å; G361-F365 PolarHBondContact O-N 3.3Å |
| 362 | F | 98.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.3 | -26.4 | 178.9 | -72.1 | -70.6 | 0 | 0 | 0 | 113.4 | M328 V330 F365 Y366 P396 I403 S426 L430 | M328-F362 HydrophobicContact CE-CE1 3.93Å; M328-F362 HydrophobicContact CE-CZ 4.04Å; M328-F362 HydrophobicContact SD-CD1 4.24Å; M328-F362 HydrophobicContact SD-CD2 4.27Å; M328-F362 HydrophobicContact SD-CE1 4Å; M328-F362 HydrophobicContact SD-CE2 3.99Å; M328-F362 HydrophobicContact SD-CG 4.38Å; M328-F362 HydrophobicContact SD-CZ 3.87Å; V330-F362 HydrophobicContact CG1-CD2 4.43Å; V330-F362 HydrophobicContact CG2-CD2 3.82Å; V330-F362 HydrophobicContact CG2-CE2 3.79Å; F362-F365 HydrophobicContact CD1-CB 4.41Å; F362-F365 HydrophobicContact CD1-CD2 4.46Å; F362-F365 WeakPolarHBondContact O-CB 3.22Å; F362-F365 PolarHBondContact O-N 3.06Å; F362-Y366 WeakPolarHBondContact O-CD1 3Å; F362-Y366 PolarHBondContact O-N 3.19Å; F362-Y366 VanDerWaalsContact O-N 3.08Å; F362-P396 HydrophobicContact CD1-CB 3.81Å; F362-P396 HydrophobicContact CD1-CG 4.42Å; F362-P396 HydrophobicContact CD2-CG 4.42Å; F362-P396 HydrophobicContact CE1-CB 3.96Å; F362-P396 HydrophobicContact CE1-CG 4.26Å; F362-P396 HydrophobicContact CE2-CG 4.3Å; F362-P396 HydrophobicContact CG-CB 4.1Å; F362-P396 HydrophobicContact CG-CG 4.49Å; F362-P396 HydrophobicContact CZ-CB 4.39Å; F362-P396 HydrophobicContact CZ-CG 4.2Å; F362-I403 HydrophobicContact CD1-CD1 3.75Å; F362-I403 HydrophobicContact CE1-CD1 4.41Å; F362-S426 WeakPolarHBondContact CE2-OG 3.48Å; F362-L430 HydrophobicContact CE1-CD1 3.89Å; F362-L430 HydrophobicContact CZ-CD1 3.81Å |
| 363 | E | 97.3 | Very high | 97.2 | Very high | 54 Ų | 54 | 39.8 Ų | 39.8 | 25% | 0.252 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 176.7 | -170.4 | -179.2 | 162 | 0 | 0 | 112.2 | D360 G361 Y366 K367 K392 T394 | D360-E363 PolarHBondContact O-N 3.09Å; G361-E363 PolarHBondContact O-N 3.26Å; E363-Y366 VanDerWaalsContact CA-CE1 3.44Å; E363-Y366 HydrophobicContact CB-CE1 4.27Å; E363-Y366 HydrophobicContact CG-CE1 4.14Å; E363-K367 HydrophobicContact CG-CD 4.5Å; E363-K367 WeakPolarHBondContact O-CD 3.31Å; E363-K367 VanDerWaalsContact O-CG 3.22Å; E363-K367 WeakPolarHBondContact O-CG 3.41Å; E363-K367 IonicContact OE1-NZ 2.73Å; E363-K367 PolarHBondContact OE1-NZ 3.34Å; E363-K392 HydrophobicContact CB-CB 4.48Å; E363-K392 HydrophobicContact CB-CG 4.26Å; E363-T394 HydrophobicContact CB-CG2 4.44Å |
| 364 | G | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -76.2 | -27.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N359 D360 G361 K367 G368 Q369 | N359-G364 WeakPolarHBondContact O-CA 3.24Å; D360-G364 PolarHBondContact O-N 2.76Å; G361-G364 PolarHBondContact O-N 3.48Å; G364-K367 CarbonylContact O-C 3.55Å; G364-K367 PolarHBondContact O-N 3.25Å; G364-G368 PolarHBondContact O-N 3.32Å; G364-G368 VanDerWaalsContact O-N 3.13Å; G364-Q369 WeakPolarHBondContact O-CB 3.5Å; G364-Q369 PolarHBondContact O-N 3.37Å |
| 365 | F | 97.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.4 | -59.5 | 175.6 | -154.1 | -52.2 | 0 | 0 | 0 | 111.3 | M328 V358 G361 F362 K367 G368 I370 I403 Q406 M407 L415 | M328-F365 HydrophobicContact CE-CD2 3.45Å; M328-F365 VanDerWaalsContact CE-CD2 3.45Å; M328-F365 HydrophobicContact CE-CE2 3.6Å; M328-F365 HydrophobicContact SD-CD2 4.26Å; V358-F365 HydrophobicContact CB-CD2 4.38Å; V358-F365 HydrophobicContact CG1-CB 3.7Å; V358-F365 HydrophobicContact CG1-CD2 3.77Å; V358-F365 HydrophobicContact CG1-CG 3.97Å; V358-F365 HydrophobicContact CG2-CD2 3.86Å; V358-F365 HydrophobicContact CG2-CE2 3.96Å; G361-F365 PolarHBondContact O-N 3.3Å; F362-F365 HydrophobicContact CD1-CB 4.41Å; F362-F365 HydrophobicContact CD1-CD2 4.46Å; F362-F365 WeakPolarHBondContact O-CB 3.22Å; F362-F365 PolarHBondContact O-N 3.06Å; F365-K367 PolarHBondContact O-N 3.36Å; F365-G368 PolarHBondContact O-N 2.79Å; F365-I370 HydrophobicContact CD1-CD1 3.86Å; F365-I370 HydrophobicContact CE1-CD1 3.69Å; F365-I370 HydrophobicContact CG-CD1 4.4Å; F365-I370 HydrophobicContact CZ-CD1 4.12Å; F365-I403 HydrophobicContact CD1-CB 4.28Å; F365-I403 HydrophobicContact CD1-CG1 4.23Å; F365-I403 HydrophobicContact CD1-CG2 3.83Å; F365-I403 HydrophobicContact CE1-CG2 3.75Å; F365-I403 HydrophobicContact CG-CG2 4.33Å; F365-I403 HydrophobicContact CZ-CG2 4.16Å; F365-Q406 HydrophobicContact CD1-CB 3.95Å; F365-Q406 HydrophobicContact CE1-CB 3.77Å; F365-Q406 WeakPolarHBondContact O-CG 3.34Å; F365-M407 HydrophobicContact CE1-CG 3.77Å; F365-M407 HydrophobicContact CZ-CG 3.54Å; F365-M407 HydrophobicContact CZ-SD 4.32Å; F365-L415 HydrophobicContact CE2-CD1 4.11Å |
| 366 | Y | 97.4 | Very high | 96.2 | Very high | 54 Ų | 54 | 42.5 Ų | 42.5 | 21% | 0.212 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68 | -19 | -177 | 72.7 | -109.6 | 0 | 0 | 0 | 112.9 | F362 E363 G368 T394 H399 | F362-Y366 WeakPolarHBondContact O-CD1 3Å; F362-Y366 PolarHBondContact O-N 3.19Å; F362-Y366 VanDerWaalsContact O-N 3.08Å; E363-Y366 VanDerWaalsContact CA-CE1 3.44Å; E363-Y366 HydrophobicContact CB-CE1 4.27Å; E363-Y366 HydrophobicContact CG-CE1 4.14Å; Y366-G368 VanDerWaalsContact C-N 3.32Å; Y366-T394 HydrophobicContact CE1-CG2 4.38Å; Y366-H399 HydrophobicContact CD1-CB 3.8Å; Y366-H399 AromaticContact CD1-CD2 3.58Å; Y366-H399 AromaticContact CD1-CG 3.61Å; Y366-H399 AromaticContact CE1-CD2 3.45Å; Y366-H399 VanDerWaalsContact CE1-CD2 3.45Å; Y366-H399 WeakPolarHBondContact CE1-CD2 3.49Å; Y366-H399 AromaticContact CE1-CG 3.9Å; Y366-H399 AromaticContact CE1-NE2 3.76Å; Y366-H399 HydrophobicContact CG-CB 3.91Å; Y366-H399 AromaticContact CG-CG 3.88Å; Y366-H399 AromaticContact CZ-NE2 3.93Å |
| 367 | K | 97.7 | Very high | 95.8 | Very high | 103 Ų | 103 | 45.6 Ų | 45.6 | 45% | 0.448 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -0.3 | 172.5 | -65.5 | 176.4 | -168.2 | 174.3 | 0 | 113.6 | E363 G364 F365 Q369 | E363-K367 HydrophobicContact CG-CD 4.5Å; E363-K367 WeakPolarHBondContact O-CD 3.31Å; E363-K367 VanDerWaalsContact O-CG 3.22Å; E363-K367 WeakPolarHBondContact O-CG 3.41Å; E363-K367 IonicContact OE1-NZ 2.73Å; E363-K367 PolarHBondContact OE1-NZ 3.34Å; G364-K367 CarbonylContact O-C 3.55Å; G364-K367 PolarHBondContact O-N 3.25Å; F365-K367 PolarHBondContact O-N 3.36Å; K367-Q369 HydrophobicContact CB-CG 4.21Å |
| 368 | G | 96.6 | Very high | 95.5 | Very high | 26 Ų | 26 | 45.3 Ų | 45.3 | 27% | 0.268 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 26.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G364 F365 Y366 I370 Q406 | G364-G368 PolarHBondContact O-N 3.32Å; G364-G368 VanDerWaalsContact O-N 3.13Å; F365-G368 PolarHBondContact O-N 2.79Å; Y366-G368 VanDerWaalsContact C-N 3.32Å; G368-I370 PolarHBondContact O-N 2.98Å; G368-Q406 VanDerWaalsContact CA-OE1 3.28Å |
| 369 | Q | 97.8 | Very high | 95 | Very high | 74 Ų | 74 | 47 Ų | 47 | 35% | 0.346 | 25% | 0.245 | S | C | . | . | trans | -81.4 | 49.8 | 178.2 | -57.9 | -175.5 | 1.5 | 0 | 0 | 112.5 | N359 G364 K367 | N359-Q369 HydrophobicContact CB-CB 4.33Å; N359-Q369 PolarHBondContact N-O 2.92Å; N359-Q369 VanDerWaalsContact N-O 3.14Å; N359-Q369 PolarHBondContact ND2-O 2.97Å; N359-Q369 VanDerWaalsContact ND2-O 3.14Å; G364-Q369 WeakPolarHBondContact O-CB 3.5Å; G364-Q369 PolarHBondContact O-N 3.37Å; K367-Q369 HydrophobicContact CB-CG 4.21Å | ||
| 370 | I | 98.1 | Very high | 94.4 | Very high | 10 Ų | 10 | 46.4 Ų | 46.4 | 5% | 0.051 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 128 | -174.2 | -50.7 | -178.7 | 0 | 0 | 0 | 108.7 | F356 V358 F365 G368 Q406 | F356-I370 HydrophobicContact CB-CG2 3.96Å; F356-I370 HydrophobicContact CD1-CG2 3.96Å; F356-I370 HydrophobicContact CG-CG2 4.33Å; V358-I370 HydrophobicContact CG1-CG1 4.44Å; V358-I370 HydrophobicContact CG2-CD1 4.48Å; V358-I370 HydrophobicContact CG2-CG1 4.18Å; V358-I370 HydrophobicContact CG2-CG2 4.39Å; F365-I370 HydrophobicContact CD1-CD1 3.86Å; F365-I370 HydrophobicContact CE1-CD1 3.69Å; F365-I370 HydrophobicContact CG-CD1 4.4Å; F365-I370 HydrophobicContact CZ-CD1 4.12Å; G368-I370 PolarHBondContact O-N 2.98Å; I370-Q406 HydrophobicContact CD1-CB 3.98Å |
| 371 | K | 97.3 | Very high | 94.2 | Very high | 145 Ų | 145 | 45.8 Ų | 45.8 | 63% | 0.63 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 141.7 | -179.3 | -63.3 | -177.3 | -177.1 | 175.7 | 0 | 110.9 | F356 A357 I373 | F356-K371 CarbonylContact C-O 3.4Å; F356-K371 WeakPolarHBondContact CA-O 3.39Å; A357-K371 PolarHBondContact N-O 2.78Å; A357-K371 PolarHBondContact O-N 3.22Å; K371-I373 PolarHBondContact O-N 2.89Å |
| 372 | E | 97.1 | Very high | 94 | Very high | 106 Ų | 106 | 45.9 Ų | 45.9 | 50% | 0.495 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 133.3 | 168.8 | -172.3 | -173.5 | 158.2 | 0 | 0 | 109.2 | M355 F356 | M355-E372 WeakPolarHBondContact O-CA 3.34Å; F356-E372 HydrophobicContact CD1-CB 4.37Å; F356-E372 HydrophobicContact CE1-CB 4.12Å |
| 373 | I | 95.8 | Very high | 93.6 | Very high | 12 Ų | 12 | 46.3 Ų | 46.3 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | trans | -118.5 | 130 | -179.2 | -168.4 | 165.1 | 0 | 0 | 0 | 110.2 | V345 M355 A357 K371 D377 V378 W381 | V345-I373 HydrophobicContact CB-CG2 4.47Å; V345-I373 HydrophobicContact CG1-CG1 4.4Å; V345-I373 HydrophobicContact CG1-CG2 3.98Å; V345-I373 HydrophobicContact CG2-CD1 4.28Å; V345-I373 HydrophobicContact CG2-CG1 4.49Å; V345-I373 HydrophobicContact CG2-CG2 3.59Å; M355-I373 HydrophobicContact CB-CG2 3.78Å; M355-I373 PolarHBondContact O-N 2.7Å; A357-I373 HydrophobicContact CB-CB 3.97Å; A357-I373 HydrophobicContact CB-CD1 3.88Å; A357-I373 HydrophobicContact CB-CG2 4.07Å; K371-I373 PolarHBondContact O-N 2.89Å; I373-D377 HydrophobicContact CD1-CB 4.44Å; I373-D377 HydrophobicContact CG1-CB 3.79Å; I373-V378 HydrophobicContact CD1-CG1 3.52Å; I373-V378 HydrophobicContact CG1-CG1 4.08Å; I373-W381 HydrophobicContact CD1-CH2 4.25Å | ||
| 374 | K | 91.7 | Very high | 93.4 | Very high | 124 Ų | 124 | 48.5 Ų | 48.5 | 54% | 0.539 | 26% | 0.258 | S | S | . | . | trans | -104.9 | 167.2 | -173.9 | -58 | -177.1 | -179.7 | -177.6 | 0 | 111.6 | G376 D377 | K374-G376 VanDerWaalsContact C-N 3.27Å; K374-G376 PolarHBondContact O-N 3.42Å; K374-D377 WeakPolarHBondContact CB-OD2 3.44Å; K374-D377 PolarHBondContact N-OD2 2.76Å; K374-D377 WeakPolarHBondContact O-CB 3.49Å; K374-D377 PolarHBondContact O-N 2.98Å | ||
| 375 | W | 88 | Confident | 93.2 | Very high | 21 Ų | 21 | 49.7 Ų | 49.7 | 8% | 0.08 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -41.9 | -179.3 | -176.7 | -86.3 | 0 | 0 | 0 | 114.2 | Q312 R346 I349 V378 | Q312-W375 HydrophobicContact CG-CZ2 4.43Å; R346-W375 HydrophobicContact CB-CE3 3.88Å; R346-W375 HydrophobicContact CB-CH2 3.96Å; R346-W375 HydrophobicContact CB-CZ3 3.57Å; R346-W375 HydrophobicContact CG-CD2 3.9Å; R346-W375 HydrophobicContact CG-CE3 3.71Å; R346-W375 HydrophobicContact CG-CH2 4.1Å; R346-W375 HydrophobicContact CG-CZ2 4.26Å; R346-W375 HydrophobicContact CG-CZ3 3.82Å; R346-W375 WeakPolarHBondContact O-CZ3 3.27Å; I349-W375 HydrophobicContact CB-CE3 4.45Å; I349-W375 HydrophobicContact CD1-CB 4.12Å; I349-W375 HydrophobicContact CG2-CE3 4.35Å; W375-V378 WeakPolarHBondContact O-CG2 3.18Å |
| 376 | G | 85.6 | Confident | 93 | Very high | 41 Ų | 41 | 51.2 Ų | 51.2 | 42% | 0.423 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -27.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K374 V378 G379 | K374-G376 VanDerWaalsContact C-N 3.27Å; K374-G376 PolarHBondContact O-N 3.42Å; G376-V378 VanDerWaalsContact C-N 3.28Å; G376-V378 PolarHBondContact O-N 3.31Å; G376-G379 PolarHBondContact O-N 3.24Å |
| 377 | D | 90.1 | Very high | 92.9 | Very high | 87 Ų | 87 | 49.9 Ų | 49.9 | 47% | 0.465 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -30.9 | -174.1 | -60.5 | -29.2 | 0 | 0 | 0 | 112.1 | I373 K374 G379 W381 | I373-D377 HydrophobicContact CD1-CB 4.44Å; I373-D377 HydrophobicContact CG1-CB 3.79Å; K374-D377 WeakPolarHBondContact CB-OD2 3.44Å; K374-D377 PolarHBondContact N-OD2 2.76Å; K374-D377 WeakPolarHBondContact O-CB 3.49Å; K374-D377 PolarHBondContact O-N 2.98Å; D377-G379 VanDerWaalsContact C-N 3.32Å; D377-W381 PolarHBondContact O-NE1 3.03Å |
| 378 | V | 91.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 12 | 176.1 | -62.2 | 0 | 0 | 0 | 0 | 113.5 | R342 V345 R346 I373 W375 G376 G380 W381 | R342-V378 HydrophobicContact CB-CB 4.03Å; R342-V378 HydrophobicContact CB-CG2 4.33Å; R342-V378 WeakPolarHBondContact CD-O 3.34Å; R342-V378 HydrophobicContact CG-CB 4.02Å; R342-V378 HydrophobicContact CG-CG2 3.91Å; R342-V378 WeakPolarHBondContact CG-O 3.48Å; V345-V378 HydrophobicContact CB-CG1 4.08Å; V345-V378 HydrophobicContact CB-CG2 4.22Å; V345-V378 HydrophobicContact CG1-CG1 4.14Å; V345-V378 HydrophobicContact CG1-CG2 4.04Å; V345-V378 HydrophobicContact CG2-CG1 4.04Å; R346-V378 HydrophobicContact CG-CG2 4.11Å; I373-V378 HydrophobicContact CD1-CG1 3.52Å; I373-V378 HydrophobicContact CG1-CG1 4.08Å; W375-V378 WeakPolarHBondContact O-CG2 3.18Å; G376-V378 VanDerWaalsContact C-N 3.28Å; G376-V378 PolarHBondContact O-N 3.31Å; V378-G380 PolarHBondContact O-N 2.89Å; V378-W381 HydrophobicContact CB-CD2 4.19Å; V378-W381 HydrophobicContact CB-CG 4.33Å; V378-W381 HydrophobicContact CG1-CD2 4.22Å; V378-W381 HydrophobicContact CG1-CE3 4.17Å; V378-W381 HydrophobicContact CG1-CH2 4.42Å; V378-W381 HydrophobicContact CG1-CZ2 4.46Å; V378-W381 HydrophobicContact CG1-CZ3 4.29Å; V378-W381 WeakPolarHBondContact O-CB 3.39Å; V378-W381 PolarHBondContact O-N 2.96Å |
| 379 | G | 87.6 | Confident | 92.9 | Very high | 36 Ų | 36 | 48 Ų | 48 | 37% | 0.371 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 127.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | G376 D377 W381 | G376-G379 PolarHBondContact O-N 3.24Å; D377-G379 VanDerWaalsContact C-N 3.32Å; G379-W381 VanDerWaalsContact C-N 3.29Å; G379-W381 PolarHBondContact O-N 2.86Å |
| 380 | G | 86.3 | Confident | 92.8 | Very high | 28 Ų | 28 | 45.3 Ų | 45.3 | 29% | 0.289 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 3.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | V378 T382 | V378-G380 PolarHBondContact O-N 2.89Å; G380-T382 VanDerWaalsContact C-N 3.3Å; G380-T382 PolarHBondContact O-N 2.92Å |
| 381 | W | 93 | Very high | 92.7 | Very high | 37 Ų | 37 | 45.8 Ų | 45.8 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -70.3 | -22.4 | -178.8 | -75.6 | 33.3 | 0 | 0 | 0 | 113.8 | N338 V341 R342 I373 D377 V378 G379 G383 Q384 L388 L389 | N338-W381 HydrophobicContact CB-CB 4.18Å; N338-W381 HydrophobicContact CB-CE3 4.35Å; N338-W381 VanDerWaalsContact CB-O 3.28Å; N338-W381 WeakPolarHBondContact CB-O 3.28Å; V341-W381 HydrophobicContact CB-CE3 4.29Å; V341-W381 HydrophobicContact CB-CZ3 4.19Å; V341-W381 HydrophobicContact CG1-CE3 4.08Å; V341-W381 HydrophobicContact CG1-CZ3 3.63Å; R342-W381 HydrophobicContact CB-CB 4.14Å; I373-W381 HydrophobicContact CD1-CH2 4.25Å; D377-W381 PolarHBondContact O-NE1 3.03Å; V378-W381 HydrophobicContact CB-CD2 4.19Å; V378-W381 HydrophobicContact CB-CG 4.33Å; V378-W381 HydrophobicContact CG1-CD2 4.22Å; V378-W381 HydrophobicContact CG1-CE3 4.17Å; V378-W381 HydrophobicContact CG1-CH2 4.42Å; V378-W381 HydrophobicContact CG1-CZ2 4.46Å; V378-W381 HydrophobicContact CG1-CZ3 4.29Å; V378-W381 WeakPolarHBondContact O-CB 3.39Å; V378-W381 PolarHBondContact O-N 2.96Å; G379-W381 VanDerWaalsContact C-N 3.29Å; G379-W381 PolarHBondContact O-N 2.86Å; W381-G383 VanDerWaalsContact C-N 3.3Å; W381-G383 PolarHBondContact O-N 2.88Å; W381-Q384 PolarHBondContact O-N 3.44Å; W381-Q384 VanDerWaalsContact O-N 3.14Å; W381-L388 HydrophobicContact CB-CD1 4.21Å; W381-L388 HydrophobicContact CD2-CB 4.29Å; W381-L388 HydrophobicContact CD2-CD1 3.38Å; W381-L388 HydrophobicContact CD2-CG 4.45Å; W381-L388 HydrophobicContact CE3-CB 4.13Å; W381-L388 HydrophobicContact CE3-CD1 3.9Å; W381-L388 HydrophobicContact CG-CD1 3.5Å; W381-L388 VanDerWaalsContact CG-CD1 3.5Å; W381-L388 HydrophobicContact CH2-CB 3.84Å; W381-L388 HydrophobicContact CZ2-CB 4Å; W381-L388 HydrophobicContact CZ2-CD1 4.17Å; W381-L388 HydrophobicContact CZ3-CB 3.89Å; W381-L388 HydrophobicContact CZ3-CD1 4.47Å; W381-L389 HydrophobicContact CH2-CD2 3.75Å; W381-L389 HydrophobicContact CH2-CG 4.23Å; W381-L389 HydrophobicContact CZ3-CD2 4.11Å; W381-L389 HydrophobicContact CZ3-CG 4.11Å |
| 382 | T | 90.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -57.3 | -40.9 | -174.1 | -39.4 | 0 | 0 | 0 | 0 | 113 | A143 A339 R342 G380 R595 | A143-T382 WeakPolarHBondContact O-CG2 3.44Å; A339-T382 HydrophobicContact CB-CG2 3.92Å; R342-T382 WeakPolarHBondContact CD-OG1 3.48Å; R342-T382 PolarHBondContact NE-OG1 3.37Å; G380-T382 VanDerWaalsContact C-N 3.3Å; G380-T382 PolarHBondContact O-N 2.92Å; T382-R595 HydrophobicContact CG2-CB 4.15Å; T382-R595 HydrophobicContact CG2-CG 4.42Å; T382-R595 WeakPolarHBondContact O-CD 3.34Å; T382-R595 WeakPolarHBondContact O-CG 3.41Å |
| 383 | G | 90.2 | Very high | 92.6 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 12% | 0.124 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -90.7 | 3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | W381 P590 R595 | W381-G383 VanDerWaalsContact C-N 3.3Å; W381-G383 PolarHBondContact O-N 2.88Å; G383-P590 WeakPolarHBondContact O-CD 3.2Å; G383-R595 VanDerWaalsContact CA-CZ 3.47Å; G383-R595 VanDerWaalsContact CA-NH1 3.29Å |
| 384 | Q | 93.3 | Very high | 92.6 | Very high | 100 Ų | 100 | 46.6 Ų | 46.6 | 47% | 0.467 | 27% | 0.27 | S | S | . | . | trans | -92.2 | 130.2 | -176.3 | -63.2 | -65.5 | -37.9 | 0 | 0 | 110.9 | N338 W381 L388 | N338-Q384 PolarHBondContact ND2-O 3.12Å; W381-Q384 PolarHBondContact O-N 3.44Å; W381-Q384 VanDerWaalsContact O-N 3.14Å; Q384-L388 HydrophobicContact CB-CD1 4.21Å; Q384-L388 HydrophobicContact CG-CD1 4.44Å | ||
| 385 | G | 92.6 | Very high | 92.9 | Very high | 25 Ų | 25 | 42.9 Ų | 42.9 | 26% | 0.258 | 26% | 0.255 | S | S | . | . | trans | -73.1 | 178.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N338 G588 | N338-G385 PolarHBondContact ND2-O 2.83Å; G385-G588 VanDerWaalsContact CA-O 3.22Å; G385-G588 WeakPolarHBondContact CA-O 3.38Å | ||
| 386 | G | 93.6 | Very high | 93.3 | Very high | 33 Ų | 33 | 41.9 Ų | 41.9 | 34% | 0.34 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 66.4 | -151.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N338 | N338-G386 PolarHBondContact ND2-O 2.84Š|
| 387 | S | 96.3 | Very high | 93.7 | Very high | 25 Ų | 25 | 42.4 Ų | 42.4 | 18% | 0.175 | 25% | 0.252 | C | S | . | . | trans | -130.3 | 111 | 177 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | N329 L389 G390 | N329-S387 PolarHBondContact ND2-OG 2.98Å; S387-L389 VanDerWaalsContact C-N 3.32Å; S387-G390 PolarHBondContact O-N 2.81Å; S387-G390 VanDerWaalsContact O-N 3.13Å; S387-G390 VanDerWaalsContact OG-C 3.29Å; S387-G390 PolarHBondContact OG-N 2.96Å; S387-G390 PolarHBondContact OG-O 3.41Å | ||
| 388 | L | 96.8 | Very high | 94 | Very high | 83 Ų | 83 | 47.2 Ų | 47.2 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -24.8 | 178.4 | -69.3 | 172.6 | 0 | 0 | 0 | 112.9 | N338 W381 Q384 G390 | N338-L388 HydrophobicContact CB-CD1 4.42Å; N338-L388 PolarHBondContact OD1-N 3.26Å; W381-L388 HydrophobicContact CB-CD1 4.21Å; W381-L388 HydrophobicContact CD2-CB 4.29Å; W381-L388 HydrophobicContact CD2-CD1 3.38Å; W381-L388 HydrophobicContact CD2-CG 4.45Å; W381-L388 HydrophobicContact CE3-CB 4.13Å; W381-L388 HydrophobicContact CE3-CD1 3.9Å; W381-L388 HydrophobicContact CG-CD1 3.5Å; W381-L388 VanDerWaalsContact CG-CD1 3.5Å; W381-L388 HydrophobicContact CH2-CB 3.84Å; W381-L388 HydrophobicContact CZ2-CB 4Å; W381-L388 HydrophobicContact CZ2-CD1 4.17Å; W381-L388 HydrophobicContact CZ3-CB 3.89Å; W381-L388 HydrophobicContact CZ3-CD1 4.47Å; Q384-L388 HydrophobicContact CB-CD1 4.21Å; Q384-L388 HydrophobicContact CG-CD1 4.44Å; L388-G390 PolarHBondContact O-N 3.37Å |
| 389 | L | 96.4 | Very high | 94.2 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -7.2 | 170.2 | -65.1 | -173.9 | 0 | 0 | 0 | 112.9 | V341 A357 N359 D360 W381 S387 | V341-L389 HydrophobicContact CG1-CD1 3.95Å; V341-L389 HydrophobicContact CG1-CG 4.43Å; V341-L389 HydrophobicContact CG2-CD1 3.91Å; A357-L389 HydrophobicContact CB-CD1 4.47Å; A357-L389 HydrophobicContact CB-CD2 3.7Å; N359-L389 CarbonylContact C-O 3.4Å; N359-L389 WeakPolarHBondContact CA-O 3.5Å; D360-L389 PolarHBondContact N-O 2.87Å; W381-L389 HydrophobicContact CH2-CD2 3.75Å; W381-L389 HydrophobicContact CH2-CG 4.23Å; W381-L389 HydrophobicContact CZ3-CD2 4.11Å; W381-L389 HydrophobicContact CZ3-CG 4.11Å; S387-L389 VanDerWaalsContact C-N 3.32Å |
| 390 | G | 96.6 | Very high | 94.7 | Very high | 18 Ų | 18 | 48.9 Ų | 48.9 | 19% | 0.186 | 27% | 0.268 | C | S | . | . | trans | 73.1 | 161.7 | -161.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S387 L388 | S387-G390 PolarHBondContact O-N 2.81Å; S387-G390 VanDerWaalsContact O-N 3.13Å; S387-G390 VanDerWaalsContact OG-C 3.29Å; S387-G390 PolarHBondContact OG-N 2.96Å; S387-G390 PolarHBondContact OG-O 3.41Å; L388-G390 PolarHBondContact O-N 3.37Å | ||
| 391 | T | 96.4 | Very high | 95.3 | Very high | 21 Ų | 21 | 52.5 Ų | 52.5 | 13% | 0.129 | 28% | 0.28 | C | S | . | . | trans | -156.9 | 141.8 | 176.9 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | N329 V330 G331 P333 | N329-T391 PolarHBondContact O-OG1 3.36Å; V330-T391 VanDerWaalsContact C-OG1 3.29Å; V330-T391 WeakPolarHBondContact CA-OG1 3.44Å; V330-T391 PolarHBondContact N-OG1 2.95Å; G331-T391 PolarHBondContact N-OG1 3.4Å; G331-T391 WeakPolarHBondContact O-CG2 3.36Å; G331-T391 PolarHBondContact O-OG1 3.11Å; P333-T391 HydrophobicContact CB-CG2 4.14Å | ||
| 392 | K | 95.6 | Very high | 95.5 | Very high | 86 Ų | 86 | 54.5 Ų | 54.5 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | B | Isolated β-bridge | trans | -138.3 | 159.1 | -177.6 | -58.8 | -66.9 | 179.8 | -175.5 | 0 | 109.5 | G331 D360 E363 T394 | G331-K392 PolarHBondContact N-O 3.37Å; D360-K392 HydrophobicContact CB-CG 4.06Å; D360-K392 WeakPolarHBondContact O-CG 3.38Å; D360-K392 WeakPolarHBondContact OD1-CE 3.41Å; E363-K392 HydrophobicContact CB-CB 4.48Å; E363-K392 HydrophobicContact CB-CG 4.26Å; K392-T394 VanDerWaalsContact C-N 3.28Å |
| 393 | R | 95.8 | Very high | 95.9 | Very high | 154 Ų | 154 | 54.4 Ų | 54.4 | 58% | 0.581 | 29% | 0.291 | S | S | * | . | trans | -89.2 | 9.9 | 176.6 | -64 | -174.6 | -177.5 | -159.9 | 3.2 | 113.3 | L395 E422 | R393-L395 PolarHBondContact O-N 3.46Å; R393-E422 HydrophobicContact CB-CG 3.99Å; R393-E422 WeakPolarHBondContact CD-OE1 3.38Å; R393-E422 HydrophobicContact CG-CG 4.3Å | ||
| 394 | T | 96.6 | Very high | 96.2 | Very high | 40 Ų | 40 | 53.9 Ų | 53.9 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | trans | -69.7 | 127.8 | -177.5 | -50.8 | 0 | 0 | 0 | 0 | 110.3 | E363 Y366 K392 | E363-T394 HydrophobicContact CB-CG2 4.44Å; Y366-T394 HydrophobicContact CE1-CG2 4.38Å; K392-T394 VanDerWaalsContact C-N 3.28Å | ||
| 395 | L | 97.1 | Very high | 96.5 | Very high | 46 Ų | 46 | 52.8 Ų | 52.8 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | trans | -91.1 | 150.6 | 177.5 | -62.7 | 176.4 | 0 | 0 | 0 | 111.3 | R393 E422 E425 S426 | R393-L395 PolarHBondContact O-N 3.46Å; L395-E422 HydrophobicContact CD2-CB 4.12Å; L395-E422 HydrophobicContact CD2-CG 4.4Å; L395-E422 WeakPolarHBondContact CD2-O 3.38Å; L395-E425 HydrophobicContact CD1-CG 4.16Å; L395-E425 HydrophobicContact CD2-CB 4.17Å; L395-E425 HydrophobicContact CD2-CG 4.17Å; L395-S426 WeakPolarHBondContact CD2-OG 3.18Å | ||
| 396 | P | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -74.1 | -22.5 | -176.3 | 27.8 | -34.8 | 0 | 0 | 0 | 115.3 | F362 K398 H399 L400 I403 S426 E429 L430 | F362-P396 HydrophobicContact CD1-CB 3.81Å; F362-P396 HydrophobicContact CD1-CG 4.42Å; F362-P396 HydrophobicContact CD2-CG 4.42Å; F362-P396 HydrophobicContact CE1-CB 3.96Å; F362-P396 HydrophobicContact CE1-CG 4.26Å; F362-P396 HydrophobicContact CE2-CG 4.3Å; F362-P396 HydrophobicContact CG-CB 4.1Å; F362-P396 HydrophobicContact CG-CG 4.49Å; F362-P396 HydrophobicContact CZ-CB 4.39Å; F362-P396 HydrophobicContact CZ-CG 4.2Å; P396-K398 PolarHBondContact O-N 2.87Å; P396-H399 CarbonylContact O-C 3.59Å; P396-H399 PolarHBondContact O-N 2.82Å; P396-L400 HydrophobicContact CB-CD2 4.17Å; P396-L400 PolarHBondContact O-N 3.22Å; P396-I403 HydrophobicContact CB-CD1 3.48Å; P396-I403 VanDerWaalsContact CB-CD1 3.48Å; P396-S426 VanDerWaalsContact CD-CB 3.46Å; P396-S426 VanDerWaalsContact CD-OG 3.26Å; P396-S426 WeakPolarHBondContact CD-OG 3.26Å; P396-E429 WeakPolarHBondContact CD-OE2 3.12Å; P396-E429 HydrophobicContact CG-CB 4.09Å; P396-E429 VanDerWaalsContact CG-OE2 3.25Å; P396-E429 WeakPolarHBondContact CG-OE2 3.29Å; P396-L430 HydrophobicContact CB-CD2 3.97Å; P396-L430 HydrophobicContact CB-CG 4.37Å; P396-L430 HydrophobicContact CG-CD2 4.17Å; P396-L430 HydrophobicContact CG-CG 4.04Å |
| 397 | A | 95 | Very high | 96.9 | Very high | 52 Ų | 52 | 52 Ų | 52 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -51.8 | -32.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | H399 E429 | A397-H399 VanDerWaalsContact C-N 3.34Å; A397-E429 WeakPolarHBondContact CA-OE2 3.23Å; A397-E429 VanDerWaalsContact CB-CD 3.43Å; A397-E429 HydrophobicContact CB-CG 4.29Å; A397-E429 WeakPolarHBondContact CB-OE2 3.34Å; A397-E429 PolarHBondContact N-OE2 3.39Å |
| 398 | K | 95.3 | Very high | 96.9 | Very high | 187 Ų | 187 | 56.9 Ų | 56.9 | 81% | 0.813 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -81.6 | -10.9 | -179.7 | -67.2 | -176.8 | -179.1 | 177 | 0 | 114.3 | P396 | P396-K398 PolarHBondContact O-N 2.87Š|
| 399 | H | 97.1 | Very high | 97 | Very high | 43 Ų | 43 | 57.7 Ų | 57.7 | 20% | 0.199 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -135.7 | 27.7 | -169.3 | -60.1 | -63.6 | 0 | 0 | 0 | 112.4 | Y366 P396 A397 D401 E402 I403 | Y366-H399 HydrophobicContact CD1-CB 3.8Å; Y366-H399 AromaticContact CD1-CD2 3.58Å; Y366-H399 AromaticContact CD1-CG 3.61Å; Y366-H399 AromaticContact CE1-CD2 3.45Å; Y366-H399 VanDerWaalsContact CE1-CD2 3.45Å; Y366-H399 WeakPolarHBondContact CE1-CD2 3.49Å; Y366-H399 AromaticContact CE1-CG 3.9Å; Y366-H399 AromaticContact CE1-NE2 3.76Å; Y366-H399 HydrophobicContact CG-CB 3.91Å; Y366-H399 AromaticContact CG-CG 3.88Å; Y366-H399 AromaticContact CZ-NE2 3.93Å; P396-H399 CarbonylContact O-C 3.59Å; P396-H399 PolarHBondContact O-N 2.82Å; A397-H399 VanDerWaalsContact C-N 3.34Å; H399-D401 VanDerWaalsContact C-N 3.31Å; H399-D401 PolarHBondContact O-N 3.42Å; H399-E402 VanDerWaalsContact C-OE2 3.25Å; H399-E402 WeakPolarHBondContact CA-OE2 3.44Å; H399-E402 IonicContact ND1-OE1 2.7Å; H399-E402 PolarHBondContact O-N 3.35Å; H399-I403 HydrophobicContact CB-CD1 4.32Å; H399-I403 WeakPolarHBondContact O-CB 3.22Å; H399-I403 WeakPolarHBondContact O-CD1 3.49Å; H399-I403 WeakPolarHBondContact O-CG1 3.17Å; H399-I403 PolarHBondContact O-N 2.89Å |
| 400 | L | 97.8 | Very high | 96.9 | Very high | 29 Ų | 29 | 59.5 Ų | 59.5 | 15% | 0.152 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61 | -39.1 | -175.1 | -65.9 | 175.1 | 0 | 0 | 0 | 112.2 | P396 I403 A404 L430 A433 Y437 F440 | P396-L400 HydrophobicContact CB-CD2 4.17Å; P396-L400 PolarHBondContact O-N 3.22Å; L400-I403 PolarHBondContact O-N 3.45Å; L400-A404 VanDerWaalsContact O-CB 3.31Å; L400-A404 WeakPolarHBondContact O-CB 3.48Å; L400-A404 PolarHBondContact O-N 3.37Å; L400-L430 HydrophobicContact CD2-CD2 3.93Å; L400-A433 HydrophobicContact CD1-CB 3.91Å; L400-A433 HydrophobicContact CD2-CB 4.23Å; L400-Y437 HydrophobicContact CB-CE2 4Å; L400-Y437 HydrophobicContact CD1-CE2 4.16Å; L400-F440 HydrophobicContact CB-CE2 4.21Å; L400-F440 HydrophobicContact CB-CZ 4.31Å; L400-F440 HydrophobicContact CD2-CE2 3.84Å; L400-F440 HydrophobicContact CD2-CZ 4.02Å |
| 401 | D | 97.9 | Very high | 96.9 | Very high | 103 Ų | 103 | 63.1 Ų | 63.1 | 55% | 0.551 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.8 | -47.5 | 179.2 | -68 | -38.5 | 0 | 0 | 0 | 111.5 | H399 A404 E405 Y437 | H399-D401 VanDerWaalsContact C-N 3.31Å; H399-D401 PolarHBondContact O-N 3.42Å; D401-A404 PolarHBondContact O-N 2.94Å; D401-E405 WeakPolarHBondContact O-CB 3.28Å; D401-E405 PolarHBondContact O-N 3.01Å; D401-Y437 WeakPolarHBondContact OD1-CE1 3.44Å; D401-Y437 VanDerWaalsContact OD1-CZ 3.29Å; D401-Y437 PolarHBondContact OD1-OH 3.15Å |
| 402 | E | 98.2 | Very high | 97 | Very high | 79 Ų | 79 | 62.5 Ų | 62.5 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.1 | -38.9 | 179.2 | -59 | 97.9 | 135.6 | 0 | 0 | 111.6 | H399 E405 Q406 | H399-E402 VanDerWaalsContact C-OE2 3.25Å; H399-E402 WeakPolarHBondContact CA-OE2 3.44Å; H399-E402 IonicContact ND1-OE1 2.7Å; H399-E402 PolarHBondContact O-N 3.35Å; E402-E405 WeakPolarHBondContact O-CB 3.02Å; E402-E405 PolarHBondContact O-N 3.39Å; E402-Q406 VanDerWaalsContact O-CG 3.25Å; E402-Q406 WeakPolarHBondContact O-CG 3.47Å; E402-Q406 PolarHBondContact O-N 2.79Å |
| 403 | I | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 175.3 | -66.5 | 164.9 | 0 | 0 | 0 | 110 | F362 F365 P396 H399 L400 E405 Q406 M407 F440 | F362-I403 HydrophobicContact CD1-CD1 3.75Å; F362-I403 HydrophobicContact CE1-CD1 4.41Å; F365-I403 HydrophobicContact CD1-CB 4.28Å; F365-I403 HydrophobicContact CD1-CG1 4.23Å; F365-I403 HydrophobicContact CD1-CG2 3.83Å; F365-I403 HydrophobicContact CE1-CG2 3.75Å; F365-I403 HydrophobicContact CG-CG2 4.33Å; F365-I403 HydrophobicContact CZ-CG2 4.16Å; P396-I403 HydrophobicContact CB-CD1 3.48Å; P396-I403 VanDerWaalsContact CB-CD1 3.48Å; H399-I403 HydrophobicContact CB-CD1 4.32Å; H399-I403 WeakPolarHBondContact O-CB 3.22Å; H399-I403 WeakPolarHBondContact O-CD1 3.49Å; H399-I403 WeakPolarHBondContact O-CG1 3.17Å; H399-I403 PolarHBondContact O-N 2.89Å; L400-I403 PolarHBondContact O-N 3.45Å; I403-E405 VanDerWaalsContact C-N 3.33Å; I403-E405 PolarHBondContact O-N 3.43Å; I403-Q406 PolarHBondContact O-N 3.39Å; I403-M407 HydrophobicContact CG2-SD 4.18Å; I403-M407 WeakPolarHBondContact O-CG 3.32Å; I403-M407 PolarHBondContact O-N 2.76Å; I403-F440 HydrophobicContact CG2-CE1 3.88Å; I403-F440 HydrophobicContact CG2-CZ 4.31Å |
| 404 | A | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | L400 D401 Q406 M407 R408 Y437 E439 F440 | L400-A404 VanDerWaalsContact O-CB 3.31Å; L400-A404 WeakPolarHBondContact O-CB 3.48Å; L400-A404 PolarHBondContact O-N 3.37Å; D401-A404 PolarHBondContact O-N 2.94Å; A404-Q406 PolarHBondContact O-N 2.98Å; A404-M407 PolarHBondContact O-N 3.28Å; A404-R408 PolarHBondContact O-N 2.97Å; A404-Y437 HydrophobicContact CB-CD1 3.81Å; A404-Y437 HydrophobicContact CB-CE1 4.36Å; A404-E439 HydrophobicContact CB-CB 4.09Å; A404-E439 HydrophobicContact CB-CG 4.04Å; A404-F440 HydrophobicContact CB-CE1 4.33Å; A404-F440 HydrophobicContact CB-CZ 4.1Å |
| 405 | E | 98.1 | Very high | 97.2 | Very high | 76 Ų | 76 | 49.9 Ų | 49.9 | 36% | 0.355 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.4 | -47.8 | 173.2 | -176.2 | 61.5 | -146.7 | 0 | 0 | 111.8 | D401 E402 I403 M407 R408 I409 | D401-E405 WeakPolarHBondContact O-CB 3.28Å; D401-E405 PolarHBondContact O-N 3.01Å; E402-E405 WeakPolarHBondContact O-CB 3.02Å; E402-E405 PolarHBondContact O-N 3.39Å; I403-E405 VanDerWaalsContact C-N 3.33Å; I403-E405 PolarHBondContact O-N 3.43Å; E405-M407 VanDerWaalsContact C-N 3.33Å; E405-M407 PolarHBondContact O-N 3.04Å; E405-R408 WeakPolarHBondContact O-CB 3.39Å; E405-R408 PolarHBondContact O-N 3.2Å; E405-R408 VanDerWaalsContact O-N 3.12Å; E405-R408 IonicContact OE1-NH1 3.54Å; E405-R408 IonicContact OE2-CZ 3.76Å; E405-R408 IonicContact OE2-NH1 2.87Å; E405-R408 PolarHBondContact OE2-NH1 3.35Å; E405-R408 IonicContact OE2-NH2 3.07Å; E405-R408 PolarHBondContact OE2-NH2 3.41Å; E405-I409 HydrophobicContact CG-CD1 3.95Å; E405-I409 WeakPolarHBondContact O-CG1 3.4Å; E405-I409 PolarHBondContact O-N 2.87Å |
| 406 | Q | 98.3 | Very high | 97.3 | Very high | 34 Ų | 34 | 47.7 Ų | 47.7 | 16% | 0.159 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.5 | -36.4 | 179.3 | -66.5 | -62.3 | -33 | 0 | 0 | 112.2 | F365 G368 I370 E402 I403 A404 R408 I409 H410 | F365-Q406 HydrophobicContact CD1-CB 3.95Å; F365-Q406 HydrophobicContact CE1-CB 3.77Å; F365-Q406 WeakPolarHBondContact O-CG 3.34Å; G368-Q406 VanDerWaalsContact CA-OE1 3.28Å; I370-Q406 HydrophobicContact CD1-CB 3.98Å; E402-Q406 VanDerWaalsContact O-CG 3.25Å; E402-Q406 WeakPolarHBondContact O-CG 3.47Å; E402-Q406 PolarHBondContact O-N 2.79Å; I403-Q406 PolarHBondContact O-N 3.39Å; A404-Q406 PolarHBondContact O-N 2.98Å; Q406-R408 VanDerWaalsContact C-N 3.32Å; Q406-R408 PolarHBondContact O-N 3.27Å; Q406-I409 PolarHBondContact O-N 3.44Å; Q406-H410 PolarHBondContact O-CD2 2.97Å; Q406-H410 VanDerWaalsContact O-CD2 3.31Å; Q406-H410 PolarHBondContact O-N 3.25Å |
| 407 | M | 97.7 | Very high | 97.4 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 3% | 0.034 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.2 | -38.3 | 172.4 | -71 | 178.9 | 72.3 | 0 | 0 | 112.2 | F365 I403 A404 E405 N411 I412 E439 F440 I442 | F365-M407 HydrophobicContact CE1-CG 3.77Å; F365-M407 HydrophobicContact CZ-CG 3.54Å; F365-M407 HydrophobicContact CZ-SD 4.32Å; I403-M407 HydrophobicContact CG2-SD 4.18Å; I403-M407 WeakPolarHBondContact O-CG 3.32Å; I403-M407 PolarHBondContact O-N 2.76Å; A404-M407 PolarHBondContact O-N 3.28Å; E405-M407 VanDerWaalsContact C-N 3.33Å; E405-M407 PolarHBondContact O-N 3.04Å; M407-N411 CarbonylContact O-C 3.57Å; M407-N411 VanDerWaalsContact O-CA 3.24Å; M407-N411 WeakPolarHBondContact O-CA 3.17Å; M407-N411 PolarHBondContact O-N 2.76Å; M407-I412 HydrophobicContact CB-CB 4.36Å; M407-I412 HydrophobicContact CE-CB 4.47Å; M407-I412 HydrophobicContact CE-CG2 4.34Å; M407-I412 HydrophobicContact CG-CB 4.27Å; M407-I412 PolarHBondContact O-N 3.38Å; M407-E439 HydrophobicContact CB-CB 4.32Å; M407-E439 WeakPolarHBondContact CE-O 3.48Å; M407-E439 HydrophobicContact SD-CB 4.46Å; M407-F440 HydrophobicContact CE-CD1 4.35Å; M407-F440 HydrophobicContact SD-CD1 3.65Å; M407-F440 HydrophobicContact SD-CE1 3.63Å; M407-I442 HydrophobicContact CE-CD1 3.15Å; M407-I442 HydrophobicContact CE-CG1 4Å |
| 408 | R | 96.5 | Very high | 97.6 | Very high | 129 Ų | 129 | 45.2 Ų | 45.2 | 49% | 0.487 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.3 | -47.9 | 173.4 | -78.3 | -172.1 | -88.5 | 113.4 | 6.7 | 112.2 | A404 E405 Q406 H410 N411 E439 | A404-R408 PolarHBondContact O-N 2.97Å; E405-R408 WeakPolarHBondContact O-CB 3.39Å; E405-R408 PolarHBondContact O-N 3.2Å; E405-R408 VanDerWaalsContact O-N 3.12Å; E405-R408 IonicContact OE1-NH1 3.54Å; E405-R408 IonicContact OE2-CZ 3.76Å; E405-R408 IonicContact OE2-NH1 2.87Å; E405-R408 PolarHBondContact OE2-NH1 3.35Å; E405-R408 IonicContact OE2-NH2 3.07Å; E405-R408 PolarHBondContact OE2-NH2 3.41Å; Q406-R408 VanDerWaalsContact C-N 3.32Å; Q406-R408 PolarHBondContact O-N 3.27Å; R408-H410 VanDerWaalsContact C-N 3.32Å; R408-H410 PolarHBondContact O-N 2.91Å; R408-N411 PolarHBondContact O-N 3.31Å; R408-E439 WeakPolarHBondContact CD-OE1 3.31Å; R408-E439 HydrophobicContact CG-CG 3.73Å; R408-E439 IonicContact CZ-OE1 3.29Å; R408-E439 IonicContact NE-OE1 3.55Å; R408-E439 PolarHBondContact NE-OE1 3.44Å |
| 409 | I | 97.1 | Very high | 97.7 | Very high | 99 Ų | 99 | 36.3 Ų | 36.3 | 51% | 0.508 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57.5 | -45.7 | -179.4 | -69.7 | 166.7 | 0 | 0 | 0 | 111.2 | E405 Q406 | E405-I409 HydrophobicContact CG-CD1 3.95Å; E405-I409 WeakPolarHBondContact O-CG1 3.4Å; E405-I409 PolarHBondContact O-N 2.87Å; Q406-I409 PolarHBondContact O-N 3.44Å |
| 410 | H | 96.3 | Very high | 97.7 | Very high | 45 Ų | 45 | 34.4 Ų | 34.4 | 21% | 0.208 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 1.2 | -177.9 | -66.7 | -80.9 | 0 | 0 | 0 | 113.6 | N324 Q406 R408 I412 | N324-H410 PolarHBondContact ND2-O 3.24Å; Q406-H410 PolarHBondContact O-CD2 2.97Å; Q406-H410 VanDerWaalsContact O-CD2 3.31Å; Q406-H410 PolarHBondContact O-N 3.25Å; R408-H410 VanDerWaalsContact C-N 3.32Å; R408-H410 PolarHBondContact O-N 2.91Å; H410-I412 VanDerWaalsContact C-N 3.28Å; H410-I412 HydrophobicContact CB-CD1 3.79Å; H410-I412 HydrophobicContact CB-CG1 3.91Å; H410-I412 PolarHBondContact O-N 2.9Å |
| 411 | N | 95.7 | Very high | 97.7 | Very high | 93 Ų | 93 | 33 Ų | 33 | 50% | 0.497 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 46.8 | -175.8 | -173.4 | 52.9 | 0 | 0 | 0 | 112.6 | N324 M407 R408 T413 | N324-N411 VanDerWaalsContact CB-O 3.26Å; N324-N411 WeakPolarHBondContact CB-O 3.48Å; N324-N411 PolarHBondContact ND2-O 3.46Å; M407-N411 CarbonylContact O-C 3.57Å; M407-N411 VanDerWaalsContact O-CA 3.24Å; M407-N411 WeakPolarHBondContact O-CA 3.17Å; M407-N411 PolarHBondContact O-N 2.76Å; R408-N411 PolarHBondContact O-N 3.31Å; N411-T413 PolarHBondContact O-N 2.64Å |
| 412 | I | 97.5 | Very high | 97.7 | Very high | 9 Ų | 9 | 28.8 Ų | 28.8 | 5% | 0.046 | 14% | 0.136 | C | C | . | . | trans | -70.2 | 121.4 | -177.8 | -58.8 | -54.2 | 0 | 0 | 0 | 109.8 | N324 A326 F356 M407 H410 A414 I442 | N324-I412 HydrophobicContact CB-CD1 4.41Å; A326-I412 HydrophobicContact CB-CD1 4.03Å; A326-I412 HydrophobicContact CB-CG1 4.34Å; A326-I412 HydrophobicContact CB-CG2 3.74Å; F356-I412 HydrophobicContact CB-CD1 4.14Å; F356-I412 HydrophobicContact CD2-CD1 3.92Å; F356-I412 HydrophobicContact CG-CD1 3.98Å; M407-I412 HydrophobicContact CB-CB 4.36Å; M407-I412 HydrophobicContact CE-CB 4.47Å; M407-I412 HydrophobicContact CE-CG2 4.34Å; M407-I412 HydrophobicContact CG-CB 4.27Å; M407-I412 PolarHBondContact O-N 3.38Å; H410-I412 VanDerWaalsContact C-N 3.28Å; H410-I412 HydrophobicContact CB-CD1 3.79Å; H410-I412 HydrophobicContact CB-CG1 3.91Å; H410-I412 PolarHBondContact O-N 2.9Å; I412-A414 WeakPolarHBondContact CG2-O 3.28Å; I412-I442 HydrophobicContact CG2-CD1 4.39Å | ||
| 413 | T | 97 | Very high | 97.7 | Very high | 13 Ų | 13 | 25 Ų | 25 | 8% | 0.08 | 12% | 0.119 | C | C | . | . | trans | -108.9 | -9.6 | -176.4 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | N324 N411 I442 P443 L613 V622 | N324-T413 PolarHBondContact N-OG1 2.97Å; N324-T413 PolarHBondContact O-N 3.12Å; N324-T413 PolarHBondContact O-OG1 2.82Å; N411-T413 PolarHBondContact O-N 2.64Å; T413-I442 WeakPolarHBondContact O-CB 3.35Å; T413-P443 WeakPolarHBondContact O-CD 3.19Å; T413-L613 VanDerWaalsContact O-CD2 3.29Å; T413-L613 WeakPolarHBondContact O-CD2 3.43Å; T413-V622 HydrophobicContact CG2-CB 4.46Å; T413-V622 HydrophobicContact CG2-CG2 4.15Å | ||
| 414 | A | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 156 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | N324 V325 A326 I412 P443 I609 L613 | N324-A414 PolarHBondContact O-N 2.95Å; V325-A414 HydrophobicContact CG1-CB 4.16Å; V325-A414 HydrophobicContact CG2-CB 4.2Å; A326-A414 PolarHBondContact N-O 3.45Å; I412-A414 WeakPolarHBondContact CG2-O 3.28Å; A414-P443 VanDerWaalsContact CA-O 3.28Å; A414-P443 WeakPolarHBondContact CA-O 3.25Å; A414-P443 HydrophobicContact CB-CB 4.43Å; A414-I609 HydrophobicContact CB-CG2 3.53Å; A414-L613 HydrophobicContact CB-CD1 4.14Å; A414-L613 HydrophobicContact CB-CD2 4.04Å; A414-L613 HydrophobicContact CB-CG 4.26Å |
| 415 | L | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.6 | -179.4 | -162.6 | 63.1 | 0 | 0 | 0 | 111.9 | A326 M328 F365 V417 L430 P443 M444 C445 | A326-L415 HydrophobicContact CB-CD1 3.76Å; M328-L415 HydrophobicContact CE-CD1 3.31Å; M328-L415 HydrophobicContact CE-CD2 3.83Å; M328-L415 HydrophobicContact CE-CG 3.89Å; F365-L415 HydrophobicContact CE2-CD1 4.11Å; L415-V417 HydrophobicContact CD2-CG2 3.8Å; L415-V417 HydrophobicContact CG-CG2 3.87Å; L415-L430 HydrophobicContact CD2-CD1 3.78Å; L415-P443 PolarHBondContact N-O 3.29Å; L415-M444 HydrophobicContact CB-CB 4.29Å; L415-M444 HydrophobicContact CB-CG 3.93Å; L415-M444 HydrophobicContact CD2-SD 4.34Å; L415-M444 CarbonylContact O-C 3.54Å; L415-M444 WeakPolarHBondContact O-CA 3.48Å; L415-C445 PolarHBondContact O-N 3.46Å |
| 416 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 115 | 167.9 | -176.4 | 67.1 | 0 | 0 | 0 | 109.4 | A326 V327 M328 A344 I418 C445 L447 A605 I606 I609 | A326-L416 PolarHBondContact O-N 3.32Å; V327-L416 WeakPolarHBondContact CA-O 3.46Å; V327-L416 HydrophobicContact CB-CB 4.48Å; V327-L416 HydrophobicContact CG2-CB 4.37Å; V327-L416 HydrophobicContact CG2-CD2 4.07Å; V327-L416 HydrophobicContact CG2-CG 4.36Å; M328-L416 PolarHBondContact N-O 2.99Å; A344-L416 HydrophobicContact CB-CD2 3.44Å; A344-L416 VanDerWaalsContact CB-CD2 3.44Å; L416-I418 HydrophobicContact CG-CG1 4.43Å; L416-C445 WeakPolarHBondContact CA-O 3.5Å; L416-C445 HydrophobicContact CD1-CB 3.87Å; L416-L447 HydrophobicContact CD1-CD1 4.08Å; L416-L447 HydrophobicContact CD1-CD2 4.24Å; L416-L447 HydrophobicContact CD1-CG 3.86Å; L416-L447 HydrophobicContact CD2-CD1 4.32Å; L416-A605 HydrophobicContact CD1-CB 3.96Å; L416-I606 HydrophobicContact CD2-CD1 4.06Å; L416-I609 HydrophobicContact CB-CD1 4.12Å; L416-I609 HydrophobicContact CD1-CD1 4.26Å |
| 417 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.2 | 178.8 | -169.3 | 0 | 0 | 0 | 0 | 109.1 | M328 V330 L415 A423 L427 C445 I446 L447 | M328-V417 HydrophobicContact CE-CG2 4.31Å; M328-V417 HydrophobicContact CG-CG1 4.11Å; M328-V417 HydrophobicContact CG-CG2 4.33Å; V330-V417 HydrophobicContact CB-CG1 4.05Å; V330-V417 HydrophobicContact CG2-CG1 3.72Å; L415-V417 HydrophobicContact CD2-CG2 3.8Å; L415-V417 HydrophobicContact CG-CG2 3.87Å; V417-A423 HydrophobicContact CG1-CB 3.71Å; V417-L427 HydrophobicContact CG2-CD1 4.16Å; V417-C445 PolarHBondContact N-O 3.45Å; V417-I446 CarbonylContact O-C 3.52Å; V417-I446 WeakPolarHBondContact O-CA 3.21Å; V417-L447 PolarHBondContact O-N 3.18Å |
| 418 | I | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 115.7 | 179.2 | -54.4 | 172.7 | 0 | 0 | 0 | 107.7 | V327 M328 N329 V330 M337 A340 V341 L416 L447 A449 L462 | V327-I418 HydrophobicContact CG2-CD1 3.95Å; M328-I418 PolarHBondContact O-N 2.86Å; N329-I418 CarbonylContact C-O 3.58Å; N329-I418 WeakPolarHBondContact CA-O 3.01Å; N329-I418 WeakPolarHBondContact OD1-CB 3.43Å; V330-I418 PolarHBondContact N-O 3.02Å; M337-I418 HydrophobicContact CB-CG2 4.49Å; M337-I418 HydrophobicContact CG-CG2 4.06Å; A340-I418 HydrophobicContact CB-CD1 3.81Å; A340-I418 HydrophobicContact CB-CG2 4.44Å; V341-I418 HydrophobicContact CG2-CD1 3.71Å; L416-I418 HydrophobicContact CG-CG1 4.43Å; I418-L447 WeakPolarHBondContact CA-O 3.07Å; I418-L447 HydrophobicContact CD1-CD1 4.3Å; I418-L447 HydrophobicContact CG1-CB 4.2Å; I418-L447 HydrophobicContact CG1-CD1 4.03Å; I418-L447 HydrophobicContact CG1-CG 4.28Å; I418-L447 HydrophobicContact CG2-CB 4.34Å; I418-A449 HydrophobicContact CG2-CB 3.76Å; I418-L462 HydrophobicContact CG2-CD1 4.47Å |
| 419 | G | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.4 | 179.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | V330 L447 P448 A449 | V330-G419 WeakPolarHBondContact O-CA 3.45Å; G419-L447 PolarHBondContact N-O 3.08Å; G419-P448 CarbonylContact O-C 3.59Å; G419-P448 WeakPolarHBondContact O-CA 3.38Å; G419-A449 CarbonylContact C-O 3.6Å; G419-A449 PolarHBondContact O-N 3.19Å |
| 420 | G | 97.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 13.4 Ų | 13.4 | 3% | 0.031 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -84.8 | -147.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V330 E422 A423 F424 A449 | V330-G420 PolarHBondContact O-N 3.1Å; G420-E422 VanDerWaalsContact C-N 3.31Å; G420-E422 PolarHBondContact O-N 3.38Å; G420-A423 WeakPolarHBondContact O-CB 3.04Å; G420-A423 PolarHBondContact O-N 2.78Å; G420-F424 PolarHBondContact O-N 2.77Å; G420-A449 WeakPolarHBondContact CA-O 3.25Å; G420-A449 PolarHBondContact N-O 2.97Å |
| 421 | F | 97.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 14 Ų | 14 | 0% | 0.004 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.4 | -37 | -179.6 | -164.1 | -84.9 | 0 | 0 | 0 | 112.7 | A423 F424 E425 T652 F654 R657 | F421-A423 PolarHBondContact O-N 3.06Å; F421-F424 HydrophobicContact CE2-CD1 4.38Å; F421-F424 HydrophobicContact CZ-CD1 4.44Å; F421-F424 WeakPolarHBondContact O-CB 3.28Å; F421-F424 PolarHBondContact O-N 2.78Å; F421-F424 VanDerWaalsContact O-N 3.09Å; F421-E425 PolarHBondContact O-N 2.92Å; F421-T652 HydrophobicContact CE2-CG2 3.54Å; F421-T652 HydrophobicContact CZ-CG2 3.55Å; F421-F654 HydrophobicContact CE1-CD1 4.02Å; F421-F654 HydrophobicContact CE1-CE1 4.48Å; F421-F654 AromaticContact CZ-CD1 3.85Å; F421-F654 HydrophobicContact CZ-CD1 3.85Å; F421-F654 HydrophobicContact CZ-CE1 4.23Å; F421-F654 HydrophobicContact CZ-CG 4.41Å; F421-R657 HydrophobicContact CD1-CB 3.89Å; F421-R657 HydrophobicContact CD1-CG 3.81Å; F421-R657 HydrophobicContact CD2-CB 3.9Å; F421-R657 HydrophobicContact CE1-CB 3.97Å; F421-R657 HydrophobicContact CE1-CG 3.72Å; F421-R657 HydrophobicContact CE2-CB 3.98Å; F421-R657 HydrophobicContact CG-CB 3.85Å; F421-R657 HydrophobicContact CG-CG 4.3Å; F421-R657 HydrophobicContact CZ-CB 4.02Å; F421-R657 HydrophobicContact CZ-CG 4.14Å |
| 422 | E | 97.9 | Very high | 97.8 | Very high | 13 Ų | 13 | 14 Ų | 14 | 6% | 0.061 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.7 | -33.5 | 174.6 | -73.1 | 83.3 | 178.9 | 0 | 0 | 112.5 | V330 R393 L395 G420 S426 R657 | V330-E422 HydrophobicContact CG1-CB 3.94Å; R393-E422 HydrophobicContact CB-CG 3.99Å; R393-E422 WeakPolarHBondContact CD-OE1 3.38Å; R393-E422 HydrophobicContact CG-CG 4.3Å; L395-E422 HydrophobicContact CD2-CB 4.12Å; L395-E422 HydrophobicContact CD2-CG 4.4Å; L395-E422 WeakPolarHBondContact CD2-O 3.38Å; G420-E422 VanDerWaalsContact C-N 3.31Å; G420-E422 PolarHBondContact O-N 3.38Å; E422-S426 VanDerWaalsContact O-CB 3.24Å; E422-S426 WeakPolarHBondContact O-CB 3.32Å; E422-S426 PolarHBondContact O-N 3.4Å; E422-S426 PolarHBondContact O-OG 2.83Å; E422-R657 IonicContact OE1-CZ 3.44Å; E422-R657 IonicContact OE1-NH1 2.85Å; E422-R657 PolarHBondContact OE1-NH1 2.81Å; E422-R657 IonicContact OE1-NH2 3.6Å; E422-R657 PolarHBondContact OE1-NH2 2.77Å; E422-R657 IonicContact OE2-CZ 3Å; E422-R657 IonicContact OE2-NH2 2.64Å; E422-R657 PolarHBondContact OE2-NH2 3.39Å |
| 423 | A | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -68.3 | -39 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V330 V417 G420 F421 S426 L427 I446 | V330-A423 HydrophobicContact CB-CB 3.93Å; V330-A423 HydrophobicContact CG1-CB 4.18Å; V417-A423 HydrophobicContact CG1-CB 3.71Å; G420-A423 WeakPolarHBondContact O-CB 3.04Å; G420-A423 PolarHBondContact O-N 2.78Å; F421-A423 PolarHBondContact O-N 3.06Å; A423-S426 PolarHBondContact O-N 2.82Å; A423-L427 PolarHBondContact O-N 2.86Å; A423-I446 VanDerWaalsContact C-CD1 3.44Å; A423-I446 HydrophobicContact CB-CD1 3.52Å; A423-I446 HydrophobicContact CB-CG1 4.22Å |
| 424 | F | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.4 | -49.2 | 177.3 | 166.5 | -106.7 | 0 | 0 | 0 | 110.6 | G420 F421 S426 L427 L428 I446 V455 P456 L632 V645 L648 T652 F654 | G420-F424 PolarHBondContact O-N 2.77Å; F421-F424 HydrophobicContact CE2-CD1 4.38Å; F421-F424 HydrophobicContact CZ-CD1 4.44Å; F421-F424 WeakPolarHBondContact O-CB 3.28Å; F421-F424 PolarHBondContact O-N 2.78Å; F421-F424 VanDerWaalsContact O-N 3.09Å; F424-S426 VanDerWaalsContact C-N 3.34Å; F424-S426 PolarHBondContact O-N 2.84Å; F424-L427 PolarHBondContact O-N 2.66Å; F424-L428 PolarHBondContact O-N 2.98Å; F424-L428 VanDerWaalsContact O-N 3.09Å; F424-I446 VanDerWaalsContact CA-CD1 3.5Å; F424-I446 HydrophobicContact CB-CD1 3.9Å; F424-V455 HydrophobicContact CB-CG1 4.24Å; F424-P456 HydrophobicContact CD1-CG 4Å; F424-P456 HydrophobicContact CD2-CG 4.13Å; F424-P456 HydrophobicContact CE1-CG 3.78Å; F424-P456 HydrophobicContact CE2-CG 3.92Å; F424-P456 HydrophobicContact CG-CG 4.17Å; F424-P456 HydrophobicContact CZ-CG 3.73Å; F424-L632 HydrophobicContact CD2-CD1 4.22Å; F424-V645 HydrophobicContact CD2-CB 4.38Å; F424-V645 HydrophobicContact CD2-CG1 4.15Å; F424-V645 HydrophobicContact CE2-CB 3.96Å; F424-V645 HydrophobicContact CE2-CG1 4.15Å; F424-L648 HydrophobicContact CE2-CB 3.81Å; F424-L648 HydrophobicContact CE2-CD1 4.26Å; F424-L648 HydrophobicContact CZ-CB 4Å; F424-T652 HydrophobicContact CE1-CG2 4.12Å; F424-F654 AromaticContact CE1-CE1 3.97Å; F424-F654 HydrophobicContact CE1-CE1 3.97Å; F424-F654 AromaticContact CE1-CZ 3.9Å; F424-F654 HydrophobicContact CE1-CZ 3.9Å; F424-F654 HydrophobicContact CZ-CZ 4.48Å |
| 425 | E | 97.6 | Very high | 97.7 | Very high | 54 Ų | 54 | 18.4 Ų | 18.4 | 25% | 0.252 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -60 | -44 | 175.9 | -172.7 | 172 | -175.5 | 0 | 0 | 111.5 | L395 F421 L427 L428 E429 | L395-E425 HydrophobicContact CD1-CG 4.16Å; L395-E425 HydrophobicContact CD2-CB 4.17Å; L395-E425 HydrophobicContact CD2-CG 4.17Å; F421-E425 PolarHBondContact O-N 2.92Å; E425-L427 VanDerWaalsContact C-N 3.31Å; E425-L427 PolarHBondContact O-N 3.02Å; E425-L428 WeakPolarHBondContact O-CB 3.43Å; E425-L428 PolarHBondContact O-N 2.97Å; E425-L428 VanDerWaalsContact O-N 3.14Å; E425-E429 WeakPolarHBondContact O-CG 3.32Å; E425-E429 PolarHBondContact O-N 2.74Å |
| 426 | S | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.4 | -40.7 | 176.5 | -61.1 | 0 | 0 | 0 | 0 | 112.9 | F362 L395 P396 E422 A423 F424 L428 E429 L430 | F362-S426 WeakPolarHBondContact CE2-OG 3.48Å; L395-S426 WeakPolarHBondContact CD2-OG 3.18Å; P396-S426 VanDerWaalsContact CD-CB 3.46Å; P396-S426 VanDerWaalsContact CD-OG 3.26Å; P396-S426 WeakPolarHBondContact CD-OG 3.26Å; E422-S426 VanDerWaalsContact O-CB 3.24Å; E422-S426 WeakPolarHBondContact O-CB 3.32Å; E422-S426 PolarHBondContact O-N 3.4Å; E422-S426 PolarHBondContact O-OG 2.83Å; A423-S426 PolarHBondContact O-N 2.82Å; F424-S426 VanDerWaalsContact C-N 3.34Å; F424-S426 PolarHBondContact O-N 2.84Å; S426-L428 VanDerWaalsContact C-N 3.32Å; S426-E429 PolarHBondContact O-N 3.45Å; S426-L430 WeakPolarHBondContact O-CG 3.48Å; S426-L430 PolarHBondContact O-N 3.18Å |
| 427 | L | 97.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -69.8 | -33.8 | 179 | -151.2 | 67 | 0 | 0 | 0 | 111.7 | V417 A423 F424 E425 Y431 M444 I446 V645 | V417-L427 HydrophobicContact CG2-CD1 4.16Å; A423-L427 PolarHBondContact O-N 2.86Å; F424-L427 PolarHBondContact O-N 2.66Å; E425-L427 VanDerWaalsContact C-N 3.31Å; E425-L427 PolarHBondContact O-N 3.02Å; L427-Y431 VanDerWaalsContact O-CB 3.28Å; L427-Y431 WeakPolarHBondContact O-CB 3.49Å; L427-Y431 PolarHBondContact O-N 3.47Å; L427-M444 HydrophobicContact CD1-CB 3.57Å; L427-M444 HydrophobicContact CD1-CG 4.31Å; L427-M444 HydrophobicContact CD1-SD 3.99Å; L427-M444 HydrophobicContact CD2-CB 4.31Å; L427-M444 HydrophobicContact CG-CB 4.24Å; L427-I446 HydrophobicContact CD2-CB 4.03Å; L427-I446 HydrophobicContact CD2-CG2 3.76Å; L427-V645 HydrophobicContact CB-CG1 4.37Å; L427-V645 HydrophobicContact CD2-CG1 3.85Å; L427-V645 HydrophobicContact CG-CG1 4.48Å |
| 428 | L | 97.3 | Very high | 97.3 | Very high | 11 Ų | 11 | 34.7 Ų | 34.7 | 6% | 0.058 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.4 | -44.8 | 173.2 | -173.3 | 64.5 | 0 | 0 | 0 | 111.1 | F424 E425 S426 L430 Y431 E432 V645 R649 F654 | F424-L428 PolarHBondContact O-N 2.98Å; F424-L428 VanDerWaalsContact O-N 3.09Å; E425-L428 WeakPolarHBondContact O-CB 3.43Å; E425-L428 PolarHBondContact O-N 2.97Å; E425-L428 VanDerWaalsContact O-N 3.14Å; S426-L428 VanDerWaalsContact C-N 3.32Å; L428-L430 PolarHBondContact O-N 2.95Å; L428-Y431 WeakPolarHBondContact O-CB 3.45Å; L428-Y431 PolarHBondContact O-N 2.85Å; L428-E432 WeakPolarHBondContact O-CG 3.39Å; L428-E432 PolarHBondContact O-N 2.89Å; L428-V645 HydrophobicContact CD1-CG2 4.37Å; L428-R649 HydrophobicContact CD2-CG 4.28Å; L428-F654 HydrophobicContact CD2-CE1 4.19Å; L428-F654 HydrophobicContact CD2-CZ 3.91Å |
| 429 | E | 97.6 | Very high | 97.2 | Very high | 37 Ų | 37 | 36.9 Ų | 36.9 | 17% | 0.173 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.7 | -45.6 | 175.2 | -71.2 | -178.9 | 172.8 | 0 | 0 | 111.9 | P396 A397 E425 S426 Y431 E432 A433 | P396-E429 WeakPolarHBondContact CD-OE2 3.12Å; P396-E429 HydrophobicContact CG-CB 4.09Å; P396-E429 VanDerWaalsContact CG-OE2 3.25Å; P396-E429 WeakPolarHBondContact CG-OE2 3.29Å; A397-E429 WeakPolarHBondContact CA-OE2 3.23Å; A397-E429 VanDerWaalsContact CB-CD 3.43Å; A397-E429 HydrophobicContact CB-CG 4.29Å; A397-E429 WeakPolarHBondContact CB-OE2 3.34Å; A397-E429 PolarHBondContact N-OE2 3.39Å; E425-E429 WeakPolarHBondContact O-CG 3.32Å; E425-E429 PolarHBondContact O-N 2.74Å; S426-E429 PolarHBondContact O-N 3.45Å; E429-Y431 VanDerWaalsContact C-N 3.34Å; E429-Y431 PolarHBondContact O-N 2.76Å; E429-E432 PolarHBondContact O-N 2.71Å; E429-A433 VanDerWaalsContact O-CB 3.28Å; E429-A433 WeakPolarHBondContact O-CB 3.26Å; E429-A433 PolarHBondContact O-N 2.98Å |
| 430 | L | 97.9 | Very high | 97.1 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.4 | -37.1 | 176.1 | -68.2 | 178.5 | 0 | 0 | 0 | 112.4 | F362 P396 L400 L415 S426 L428 A433 R434 F440 M444 | F362-L430 HydrophobicContact CE1-CD1 3.89Å; F362-L430 HydrophobicContact CZ-CD1 3.81Å; P396-L430 HydrophobicContact CB-CD2 3.97Å; P396-L430 HydrophobicContact CB-CG 4.37Å; P396-L430 HydrophobicContact CG-CD2 4.17Å; P396-L430 HydrophobicContact CG-CG 4.04Å; L400-L430 HydrophobicContact CD2-CD2 3.93Å; L415-L430 HydrophobicContact CD2-CD1 3.78Å; S426-L430 WeakPolarHBondContact O-CG 3.48Å; S426-L430 PolarHBondContact O-N 3.18Å; L428-L430 PolarHBondContact O-N 2.95Å; L430-A433 PolarHBondContact O-N 2.8Å; L430-R434 PolarHBondContact O-N 3.09Å; L430-F440 HydrophobicContact CD2-CD1 3.97Å; L430-F440 HydrophobicContact CD2-CD2 4.3Å; L430-F440 HydrophobicContact CD2-CE1 3.77Å; L430-F440 HydrophobicContact CD2-CE2 4.12Å; L430-F440 HydrophobicContact CD2-CG 4.26Å; L430-F440 HydrophobicContact CD2-CZ 3.86Å; L430-M444 HydrophobicContact CB-CE 4.05Å; L430-M444 HydrophobicContact CB-SD 3.95Å; L430-M444 HydrophobicContact CD1-SD 4.04Å |
| 431 | Y | 97.3 | Very high | 97.1 | Very high | 56 Ų | 56 | 37 Ų | 37 | 22% | 0.22 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.5 | -47.6 | 175.3 | 169 | -97.2 | 0 | 0 | 0 | 111.4 | L427 L428 E429 A433 R434 E627 A630 A646 | L427-Y431 VanDerWaalsContact O-CB 3.28Å; L427-Y431 WeakPolarHBondContact O-CB 3.49Å; L427-Y431 PolarHBondContact O-N 3.47Å; L428-Y431 WeakPolarHBondContact O-CB 3.45Å; L428-Y431 PolarHBondContact O-N 2.85Å; E429-Y431 VanDerWaalsContact C-N 3.34Å; E429-Y431 PolarHBondContact O-N 2.76Å; Y431-A433 VanDerWaalsContact C-N 3.26Å; Y431-A433 PolarHBondContact O-N 2.92Å; Y431-R434 WeakPolarHBondContact O-CB 3.35Å; Y431-R434 WeakPolarHBondContact O-CG 3.38Å; Y431-R434 PolarHBondContact O-N 3.31Å; Y431-R434 VanDerWaalsContact O-N 3.14Å; Y431-E627 HydrophobicContact CE2-CB 4.11Å; Y431-A630 HydrophobicContact CD2-CB 3.79Å; Y431-A630 HydrophobicContact CG-CB 4.36Å; Y431-A646 HydrophobicContact CD1-CB 4.21Å; Y431-A646 HydrophobicContact CE1-CB 3.67Å |
| 432 | E | 96.6 | Very high | 97.1 | Very high | 95 Ų | 95 | 37.3 Ų | 37.3 | 44% | 0.444 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.1 | -36.6 | 176 | -70.5 | -178.8 | 168.3 | 0 | 0 | 111.3 | L428 E429 R434 A435 R649 | L428-E432 WeakPolarHBondContact O-CG 3.39Å; L428-E432 PolarHBondContact O-N 2.89Å; E429-E432 PolarHBondContact O-N 2.71Å; E432-R434 PolarHBondContact O-N 3.32Å; E432-A435 PolarHBondContact O-N 2.88Å; E432-R649 IonicContact OE1-CZ 2.81Å; E432-R649 IonicContact OE1-NH1 3.16Å; E432-R649 PolarHBondContact OE1-NH1 3.15Å; E432-R649 IonicContact OE1-NH2 2.72Å |
| 433 | A | 97.3 | Very high | 97.1 | Very high | 7 Ų | 7 | 36.7 Ų | 36.7 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.7 | -12.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L400 E429 L430 Y431 A435 N436 Y437 F440 | L400-A433 HydrophobicContact CD1-CB 3.91Å; L400-A433 HydrophobicContact CD2-CB 4.23Å; E429-A433 VanDerWaalsContact O-CB 3.28Å; E429-A433 WeakPolarHBondContact O-CB 3.26Å; E429-A433 PolarHBondContact O-N 2.98Å; L430-A433 PolarHBondContact O-N 2.8Å; Y431-A433 VanDerWaalsContact C-N 3.26Å; Y431-A433 PolarHBondContact O-N 2.92Å; A433-A435 PolarHBondContact O-N 3.34Å; A433-A435 VanDerWaalsContact O-N 3.08Å; A433-N436 PolarHBondContact O-N 3.42Å; A433-Y437 HydrophobicContact CB-CD2 4.05Å; A433-Y437 WeakPolarHBondContact O-CD2 3.35Å; A433-Y437 PolarHBondContact O-N 3.46Å; A433-F440 HydrophobicContact CB-CD2 3.49Å; A433-F440 VanDerWaalsContact CB-CD2 3.49Å; A433-F440 HydrophobicContact CB-CE2 3.71Å |
| 434 | R | 97 | Very high | 97.1 | Very high | 18 Ų | 18 | 36.8 Ų | 36.8 | 7% | 0.068 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -26.1 | 174 | -73.5 | 176.3 | 164.7 | -174.8 | -3.7 | 113.6 | L430 Y431 E432 N436 F440 I442 N625 S626 T629 | L430-R434 PolarHBondContact O-N 3.09Å; Y431-R434 WeakPolarHBondContact O-CB 3.35Å; Y431-R434 WeakPolarHBondContact O-CG 3.38Å; Y431-R434 PolarHBondContact O-N 3.31Å; Y431-R434 VanDerWaalsContact O-N 3.14Å; E432-R434 PolarHBondContact O-N 3.32Å; R434-N436 PolarHBondContact O-N 3.23Å; R434-F440 HydrophobicContact CG-CB 4Å; R434-F440 WeakPolarHBondContact CG-O 3.4Å; R434-F440 PolarHBondContact NE-O 3.41Å; R434-I442 PolarHBondContact NH2-O 2.96Å; R434-N625 PolarHBondContact NH1-O 2.91Å; R434-S626 PolarHBondContact NH1-O 3.22Å; R434-T629 PolarHBondContact NH1-OG1 3.49Å; R434-T629 PolarHBondContact NH2-O 3.14Å; R434-T629 PolarHBondContact NH2-OG1 3.09Å |
| 435 | A | 95.3 | Very high | 97.2 | Very high | 89 Ų | 89 | 36.8 Ų | 36.8 | 74% | 0.736 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -31.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E432 A433 | E432-A435 PolarHBondContact O-N 2.88Å; A433-A435 PolarHBondContact O-N 3.34Å; A433-A435 VanDerWaalsContact O-N 3.08Å |
| 436 | N | 96.2 | Very high | 97.2 | Very high | 137 Ų | 137 | 34.2 Ų | 34.2 | 73% | 0.733 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | -23.1 | -172.9 | -61.2 | -35.9 | 0 | 0 | 0 | 113.1 | A433 R434 | A433-N436 PolarHBondContact O-N 3.42Å; R434-N436 PolarHBondContact O-N 3.23Å |
| 437 | Y | 96.6 | Very high | 97.2 | Very high | 48 Ų | 48 | 34.2 Ų | 34.2 | 19% | 0.188 | 18% | 0.175 | C | C | . | . | trans | -124.9 | 119.3 | -174.4 | -62.1 | -90.2 | 0 | 0 | 0 | 111.1 | L400 D401 A404 A433 E439 F440 | L400-Y437 HydrophobicContact CB-CE2 4Å; L400-Y437 HydrophobicContact CD1-CE2 4.16Å; D401-Y437 WeakPolarHBondContact OD1-CE1 3.44Å; D401-Y437 VanDerWaalsContact OD1-CZ 3.29Å; D401-Y437 PolarHBondContact OD1-OH 3.15Å; A404-Y437 HydrophobicContact CB-CD1 3.81Å; A404-Y437 HydrophobicContact CB-CE1 4.36Å; A433-Y437 HydrophobicContact CB-CD2 4.05Å; A433-Y437 WeakPolarHBondContact O-CD2 3.35Å; A433-Y437 PolarHBondContact O-N 3.46Å; Y437-E439 PolarHBondContact O-N 3.26Å; Y437-F440 HydrophobicContact CD1-CE2 4.21Å; Y437-F440 HydrophobicContact CD2-CD2 4.04Å; Y437-F440 AromaticContact CD2-CE2 3.66Å; Y437-F440 HydrophobicContact CD2-CE2 3.66Å; Y437-F440 HydrophobicContact CE2-CE2 4.42Å; Y437-F440 AromaticContact CG-CD2 3.89Å; Y437-F440 HydrophobicContact CG-CD2 3.89Å; Y437-F440 AromaticContact CG-CE2 3.54Å; Y437-F440 HydrophobicContact CG-CE2 3.54Å; Y437-F440 HydrophobicContact CG-CZ 4.35Å; Y437-F440 PolarHBondContact O-N 2.96Å | ||
| 438 | K | 94.8 | Very high | 97.2 | Very high | 158 Ų | 158 | 34.5 Ų | 34.5 | 69% | 0.687 | 18% | 0.177 | S | C | * | . | G | 310 helix | trans | -72.5 | -23.9 | 179.8 | -67.1 | 179.3 | -177.7 | 172 | 0 | 111.9 | F440 C441 | K438-F440 VanDerWaalsContact C-N 3.25Å; K438-F440 PolarHBondContact O-N 3.37Å; K438-C441 VanDerWaalsContact O-CB 3.31Å; K438-C441 WeakPolarHBondContact O-CB 3.34Å; K438-C441 PolarHBondContact O-N 3.05Å; K438-C441 VanDerWaalsContact O-N 3.14Å |
| 439 | E | 96.1 | Very high | 97.3 | Very high | 46 Ų | 46 | 34 Ų | 34 | 22% | 0.215 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -63.8 | -31.5 | 178.5 | -65.6 | 77.4 | -176.5 | 0 | 0 | 111.7 | A404 M407 R408 Y437 C441 | A404-E439 HydrophobicContact CB-CB 4.09Å; A404-E439 HydrophobicContact CB-CG 4.04Å; M407-E439 HydrophobicContact CB-CB 4.32Å; M407-E439 WeakPolarHBondContact CE-O 3.48Å; M407-E439 HydrophobicContact SD-CB 4.46Å; R408-E439 WeakPolarHBondContact CD-OE1 3.31Å; R408-E439 HydrophobicContact CG-CG 3.73Å; R408-E439 IonicContact CZ-OE1 3.29Å; R408-E439 IonicContact NE-OE1 3.55Å; R408-E439 PolarHBondContact NE-OE1 3.44Å; Y437-E439 PolarHBondContact O-N 3.26Å; E439-C441 VanDerWaalsContact C-N 3.31Å |
| 440 | F | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -84.4 | -6.3 | 177 | -53.1 | -33.2 | 0 | 0 | 0 | 113.2 | L400 I403 A404 M407 L430 A433 R434 Y437 K438 I442 | L400-F440 HydrophobicContact CB-CE2 4.21Å; L400-F440 HydrophobicContact CB-CZ 4.31Å; L400-F440 HydrophobicContact CD2-CE2 3.84Å; L400-F440 HydrophobicContact CD2-CZ 4.02Å; I403-F440 HydrophobicContact CG2-CE1 3.88Å; I403-F440 HydrophobicContact CG2-CZ 4.31Å; A404-F440 HydrophobicContact CB-CE1 4.33Å; A404-F440 HydrophobicContact CB-CZ 4.1Å; M407-F440 HydrophobicContact CE-CD1 4.35Å; M407-F440 HydrophobicContact SD-CD1 3.65Å; M407-F440 HydrophobicContact SD-CE1 3.63Å; L430-F440 HydrophobicContact CD2-CD1 3.97Å; L430-F440 HydrophobicContact CD2-CD2 4.3Å; L430-F440 HydrophobicContact CD2-CE1 3.77Å; L430-F440 HydrophobicContact CD2-CE2 4.12Å; L430-F440 HydrophobicContact CD2-CG 4.26Å; L430-F440 HydrophobicContact CD2-CZ 3.86Å; A433-F440 HydrophobicContact CB-CD2 3.49Å; A433-F440 VanDerWaalsContact CB-CD2 3.49Å; A433-F440 HydrophobicContact CB-CE2 3.71Å; R434-F440 HydrophobicContact CG-CB 4Å; R434-F440 WeakPolarHBondContact CG-O 3.4Å; R434-F440 PolarHBondContact NE-O 3.41Å; Y437-F440 HydrophobicContact CD1-CE2 4.21Å; Y437-F440 HydrophobicContact CD2-CD2 4.04Å; Y437-F440 AromaticContact CD2-CE2 3.66Å; Y437-F440 HydrophobicContact CD2-CE2 3.66Å; Y437-F440 HydrophobicContact CE2-CE2 4.42Å; Y437-F440 AromaticContact CG-CD2 3.89Å; Y437-F440 HydrophobicContact CG-CD2 3.89Å; Y437-F440 AromaticContact CG-CE2 3.54Å; Y437-F440 HydrophobicContact CG-CE2 3.54Å; Y437-F440 HydrophobicContact CG-CZ 4.35Å; Y437-F440 PolarHBondContact O-N 2.96Å; K438-F440 VanDerWaalsContact C-N 3.25Å; K438-F440 PolarHBondContact O-N 3.37Å; F440-I442 PolarHBondContact O-N 2.8Å |
| 441 | C | 97.3 | Very high | 97.3 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.034 | 17% | 0.172 | C | C | . | . | trans | -78.6 | 51.9 | 174.5 | -62.3 | 0 | 0 | 0 | 0 | 111.6 | K438 E439 F623 T624 | K438-C441 VanDerWaalsContact O-CB 3.31Å; K438-C441 WeakPolarHBondContact O-CB 3.34Å; K438-C441 PolarHBondContact O-N 3.05Å; K438-C441 VanDerWaalsContact O-N 3.14Å; E439-C441 VanDerWaalsContact C-N 3.31Å; C441-F623 HydrophobicContact CB-CD2 3.61Å; C441-F623 HydrophobicContact CB-CE2 3.43Å; C441-F623 VanDerWaalsContact CB-CE2 3.43Å; C441-F623 HydrophobicContact CB-CG 4.44Å; C441-F623 HydrophobicContact CB-CZ 4.13Å; C441-F623 CarbonylContact O-C 3.52Å; C441-F623 WeakPolarHBondContact O-CA 3.4Å; C441-T624 CarbonylContact C-O 3.56Å; C441-T624 WeakPolarHBondContact CA-O 3.3Å; C441-T624 VanDerWaalsContact CB-O 3.28Å; C441-T624 WeakPolarHBondContact CB-O 3.31Å; C441-T624 PolarHBondContact O-N 3.49Å | ||
| 442 | I | 97.4 | Very high | 97.3 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -128 | 162.9 | 179 | 59.5 | 165.2 | 0 | 0 | 0 | 110.1 | M407 I412 T413 R434 F440 M444 V622 | M407-I442 HydrophobicContact CE-CD1 3.15Å; M407-I442 HydrophobicContact CE-CG1 4Å; I412-I442 HydrophobicContact CG2-CD1 4.39Å; T413-I442 WeakPolarHBondContact O-CB 3.35Å; R434-I442 PolarHBondContact NH2-O 2.96Å; F440-I442 PolarHBondContact O-N 2.8Å; I442-M444 HydrophobicContact CG1-CG 4.18Å; I442-M444 PolarHBondContact O-N 2.96Å; I442-V622 HydrophobicContact CG2-CG1 4.45Å |
| 443 | P | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -62.1 | 130 | 171.5 | -22.4 | 35.1 | 0 | 0 | 0 | 111.5 | T413 A414 L415 T612 L613 V622 T624 T629 | T413-P443 WeakPolarHBondContact O-CD 3.19Å; A414-P443 VanDerWaalsContact CA-O 3.28Å; A414-P443 WeakPolarHBondContact CA-O 3.25Å; A414-P443 HydrophobicContact CB-CB 4.43Å; L415-P443 PolarHBondContact N-O 3.29Å; P443-T612 HydrophobicContact CB-CG2 3.92Å; P443-T612 HydrophobicContact CG-CG2 3.73Å; P443-L613 HydrophobicContact CG-CD2 4.16Å; P443-L613 HydrophobicContact CG-CG 4.3Å; P443-V622 HydrophobicContact CG-CG1 4.42Å; P443-T624 HydrophobicContact CG-CG2 4.17Å; P443-T629 CarbonylContact C-O 3.46Å; P443-T629 WeakPolarHBondContact CA-O 3.25Å | ||
| 444 | M | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 132.3 | 177.9 | -56.3 | -174 | -75.4 | 0 | 0 | 110 | L415 L427 L430 I442 T629 A630 C631 | L415-M444 HydrophobicContact CB-CB 4.29Å; L415-M444 HydrophobicContact CB-CG 3.93Å; L415-M444 HydrophobicContact CD2-SD 4.34Å; L415-M444 CarbonylContact O-C 3.54Å; L415-M444 WeakPolarHBondContact O-CA 3.48Å; L427-M444 HydrophobicContact CD1-CB 3.57Å; L427-M444 HydrophobicContact CD1-CG 4.31Å; L427-M444 HydrophobicContact CD1-SD 3.99Å; L427-M444 HydrophobicContact CD2-CB 4.31Å; L427-M444 HydrophobicContact CG-CB 4.24Å; L430-M444 HydrophobicContact CB-CE 4.05Å; L430-M444 HydrophobicContact CB-SD 3.95Å; L430-M444 HydrophobicContact CD1-SD 4.04Å; I442-M444 HydrophobicContact CG1-CG 4.18Å; I442-M444 PolarHBondContact O-N 2.96Å; M444-T629 PolarHBondContact N-O 2.78Å; M444-A630 HydrophobicContact CE-CB 4.13Å; M444-A630 WeakPolarHBondContact O-CA 3.35Å; M444-C631 PolarHBondContact O-N 2.78Å |
| 445 | C | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 138.3 | 178.4 | -169.2 | 0 | 0 | 0 | 0 | 111.1 | L415 L416 V417 W608 I609 C631 | L415-C445 PolarHBondContact O-N 3.46Å; L416-C445 WeakPolarHBondContact CA-O 3.5Å; L416-C445 HydrophobicContact CD1-CB 3.87Å; V417-C445 PolarHBondContact N-O 3.45Å; C445-W608 HydrophobicContact CB-CE3 4.15Å; C445-W608 HydrophobicContact CB-CZ3 3.78Å; C445-I609 HydrophobicContact CB-CD1 4.06Å; C445-I609 HydrophobicContact CB-CG1 4.28Å; C445-C631 CarbonylContact C-O 3.45Å; C445-C631 VanDerWaalsContact CA-O 3.23Å; C445-C631 WeakPolarHBondContact CA-O 2.9Å |
| 446 | I | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 135.6 | 167.8 | 175.3 | 178.1 | 0 | 0 | 0 | 111.9 | V417 A423 F424 L427 C631 L632 L633 V645 | V417-I446 CarbonylContact O-C 3.52Å; V417-I446 WeakPolarHBondContact O-CA 3.21Å; A423-I446 VanDerWaalsContact C-CD1 3.44Å; A423-I446 HydrophobicContact CB-CD1 3.52Å; A423-I446 HydrophobicContact CB-CG1 4.22Å; F424-I446 VanDerWaalsContact CA-CD1 3.5Å; F424-I446 HydrophobicContact CB-CD1 3.9Å; L427-I446 HydrophobicContact CD2-CB 4.03Å; L427-I446 HydrophobicContact CD2-CG2 3.76Å; I446-C631 PolarHBondContact N-O 3.07Å; I446-L632 HydrophobicContact CD1-CD1 4.49Å; I446-L632 VanDerWaalsContact CG2-CA 3.4Å; I446-L632 HydrophobicContact CG2-CB 3.46Å; I446-L632 VanDerWaalsContact CG2-CB 3.46Å; I446-L632 HydrophobicContact CG2-CD1 3.88Å; I446-L632 HydrophobicContact CG2-CG 3.74Å; I446-L633 PolarHBondContact O-N 3.48Å; I446-V645 HydrophobicContact CG2-CG1 4.18Å |
| 447 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 113.8 | 165.6 | -50.8 | -175.2 | 0 | 0 | 0 | 109.6 | A340 L416 V417 I418 G419 A449 V601 A602 A605 L633 | A340-L447 HydrophobicContact CB-CD1 4.44Å; L416-L447 HydrophobicContact CD1-CD1 4.08Å; L416-L447 HydrophobicContact CD1-CD2 4.24Å; L416-L447 HydrophobicContact CD1-CG 3.86Å; L416-L447 HydrophobicContact CD2-CD1 4.32Å; V417-L447 PolarHBondContact O-N 3.18Å; I418-L447 WeakPolarHBondContact CA-O 3.07Å; I418-L447 HydrophobicContact CD1-CD1 4.3Å; I418-L447 HydrophobicContact CG1-CB 4.2Å; I418-L447 HydrophobicContact CG1-CD1 4.03Å; I418-L447 HydrophobicContact CG1-CG 4.28Å; I418-L447 HydrophobicContact CG2-CB 4.34Å; G419-L447 PolarHBondContact N-O 3.08Å; L447-A449 PolarHBondContact O-N 2.95Å; L447-V601 HydrophobicContact CD1-CG2 4.3Å; L447-A602 HydrophobicContact CD1-CB 3.83Å; L447-A605 HydrophobicContact CD1-CB 4.45Å; L447-A605 HydrophobicContact CD2-CB 3.67Å; L447-L633 HydrophobicContact CD2-CB 3.91Å; L447-L633 HydrophobicContact CD2-CD2 4.02Å; L447-L633 HydrophobicContact CD2-CG 4.41Å |
| 448 | P | 98.2 | Very high | 97.1 | Very high | 7 Ų | 7 | 15 Ų | 15 | 5% | 0.045 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 120.4 | 178.3 | -26.4 | 36.8 | 0 | 0 | 0 | 112.4 | G419 V455 T458 S461 L462 L632 L633 | G419-P448 CarbonylContact O-C 3.59Å; G419-P448 WeakPolarHBondContact O-CA 3.38Å; P448-V455 HydrophobicContact CB-CB 4.06Å; P448-V455 HydrophobicContact CB-CG1 4.08Å; P448-V455 HydrophobicContact CB-CG2 4.33Å; P448-V455 HydrophobicContact CG-CG1 4.11Å; P448-T458 HydrophobicContact CB-CG2 3.72Å; P448-T458 HydrophobicContact CG-CG2 3.77Å; P448-S461 WeakPolarHBondContact O-CA 3.17Å; P448-L462 PolarHBondContact O-N 3.22Å; P448-L632 HydrophobicContact CG-CD1 3.88Å; P448-L632 HydrophobicContact CG-CD2 3.86Å; P448-L632 HydrophobicContact CG-CG 3.85Å; P448-L633 VanDerWaalsContact CD-O 3.23Å; P448-L633 WeakPolarHBondContact CD-O 3.44Å |
| 449 | A | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.05 | C | C | . | . | B | Isolated β-bridge | trans | -141.1 | 103.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A334 M337 I418 G419 G420 L447 L462 | A334-A449 HydrophobicContact CB-CB 4.48Å; M337-A449 HydrophobicContact CE-CB 3.56Å; M337-A449 HydrophobicContact CG-CB 3.89Å; I418-A449 HydrophobicContact CG2-CB 3.76Å; G419-A449 CarbonylContact C-O 3.6Å; G419-A449 PolarHBondContact O-N 3.19Å; G420-A449 WeakPolarHBondContact CA-O 3.25Å; G420-A449 PolarHBondContact N-O 2.97Å; L447-A449 PolarHBondContact O-N 2.95Å; A449-L462 CarbonylContact C-O 3.52Å; A449-L462 WeakPolarHBondContact CA-O 2.99Å; A449-L462 HydrophobicContact CB-CB 3.83Å; A449-L462 HydrophobicContact CB-CD1 4.32Å |
| 450 | T | 97.9 | Very high | 96.8 | Very high | 15 Ų | 15 | 7.3 Ų | 7.3 | 9% | 0.092 | 4% | 0.044 | C | C | . | . | trans | -165.1 | 145.9 | -179.5 | 173.4 | 0 | 0 | 0 | 0 | 108.6 | S452 N454 V455 S461 L462 | T450-S452 VanDerWaalsContact C-N 3.26Å; T450-S452 PolarHBondContact O-N 2.85Å; T450-S452 PolarHBondContact OG1-N 2.96Å; T450-N454 WeakPolarHBondContact CG2-OD1 3.42Å; T450-N454 PolarHBondContact OG1-OD1 2.97Å; T450-V455 HydrophobicContact CG2-CG2 3.78Å; T450-S461 WeakPolarHBondContact CG2-OG 3.47Å; T450-S461 PolarHBondContact O-OG 3.04Å; T450-L462 CarbonylContact C-O 3.5Å; T450-L462 PolarHBondContact N-O 3.29Å | ||
| 451 | I | 97.6 | Very high | 96.8 | Very high | 11 Ų | 11 | 7.4 Ų | 7.4 | 6% | 0.056 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -28.1 | 173.2 | 64.6 | 172 | 0 | 0 | 0 | 112 | N453 M495 L502 Q585 Q586 | I451-N453 VanDerWaalsContact C-N 3.26Å; I451-N453 PolarHBondContact O-N 2.85Å; I451-M495 HydrophobicContact CD1-CB 4.23Å; I451-M495 HydrophobicContact CD1-CE 4.39Å; I451-M495 HydrophobicContact CD1-SD 4.04Å; I451-L502 HydrophobicContact CB-CD1 4.3Å; I451-L502 HydrophobicContact CD1-CD1 4.29Å; I451-L502 HydrophobicContact CG1-CD1 4.18Å; I451-L502 WeakPolarHBondContact O-CD1 3.35Å; I451-L502 VanDerWaalsContact O-CD2 3.29Å; I451-L502 WeakPolarHBondContact O-CD2 3.46Å; I451-L502 WeakPolarHBondContact O-CG 3.48Å; I451-Q585 HydrophobicContact CD1-CB 4.24Å; I451-Q586 HydrophobicContact CD1-CG 4.23Å |
| 452 | S | 97.8 | Very high | 96.8 | Very high | 17 Ų | 17 | 7.2 Ų | 7.2 | 12% | 0.119 | 4% | 0.043 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -16.5 | -172.1 | -51.4 | 0 | 0 | 0 | 0 | 113.8 | T450 N454 G496 C499 | T450-S452 VanDerWaalsContact C-N 3.26Å; T450-S452 PolarHBondContact O-N 2.85Å; T450-S452 PolarHBondContact OG1-N 2.96Å; S452-N454 PolarHBondContact O-N 2.89Å; S452-G496 WeakPolarHBondContact OG-CA 3.13Å; S452-C499 PolarHBondContact O-SG 2.86Å |
| 453 | N | 97.5 | Very high | 96.8 | Very high | 7 Ų | 7 | 6.9 Ų | 6.9 | 4% | 0.037 | 4% | 0.041 | C | C | . | . | trans | 50.5 | 44.6 | -172.4 | -160.1 | 32.6 | 0 | 0 | 0 | 113.2 | I451 D459 H460 S461 A464 Y501 | I451-N453 VanDerWaalsContact C-N 3.26Å; I451-N453 PolarHBondContact O-N 2.85Å; N453-D459 PolarHBondContact ND2-O 2.83Å; N453-H460 VanDerWaalsContact OD1-CA 3.29Å; N453-H460 WeakPolarHBondContact OD1-CA 3.48Å; N453-S461 VanDerWaalsContact CA-OG 3.26Å; N453-S461 WeakPolarHBondContact CA-OG 3.35Å; N453-S461 PolarHBondContact OD1-N 2.98Å; N453-S461 PolarHBondContact OD1-OG 3.17Å; N453-A464 HydrophobicContact CB-CB 4.26Å; N453-Y501 HydrophobicContact CB-CD1 3.54Å; N453-Y501 HydrophobicContact CB-CD2 4.25Å; N453-Y501 HydrophobicContact CB-CE1 3.86Å; N453-Y501 HydrophobicContact CB-CE2 4.46Å; N453-Y501 HydrophobicContact CB-CG 3.76Å; N453-Y501 WeakPolarHBondContact ND2-CD2 3.4Å; N453-Y501 WeakPolarHBondContact ND2-CE2 3.48Å | ||
| 454 | N | 97.2 | Very high | 96.8 | Very high | 12 Ų | 12 | 6.9 Ų | 6.9 | 6% | 0.064 | 4% | 0.041 | C | C | . | . | trans | -109.2 | 13.1 | -172.5 | 73.3 | -46.2 | 0 | 0 | 0 | 113.8 | T450 S452 C499 R657 I658 | T450-N454 WeakPolarHBondContact CG2-OD1 3.42Å; T450-N454 PolarHBondContact OG1-OD1 2.97Å; S452-N454 PolarHBondContact O-N 2.89Å; N454-C499 HydrophobicContact CB-CB 3.74Å; N454-R657 PolarHBondContact ND2-O 3.36Å; N454-I658 HydrophobicContact CB-CG2 4.33Å | ||
| 455 | V | 97 | Very high | 96.8 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.006 | 4% | 0.043 | C | C | . | . | trans | -90.8 | 131.7 | 178.9 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | F424 P448 T450 L632 | F424-V455 HydrophobicContact CB-CG1 4.24Å; P448-V455 HydrophobicContact CB-CB 4.06Å; P448-V455 HydrophobicContact CB-CG1 4.08Å; P448-V455 HydrophobicContact CB-CG2 4.33Å; P448-V455 HydrophobicContact CG-CG1 4.11Å; T450-V455 HydrophobicContact CG2-CG2 3.78Å; V455-L632 HydrophobicContact CG1-CD1 3.56Å | ||
| 456 | P | 95.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 158.7 | 178 | 30.6 | -39.7 | 0 | 0 | 0 | 112.6 | F424 T458 L632 L648 T652 P659 | F424-P456 HydrophobicContact CD1-CG 4Å; F424-P456 HydrophobicContact CD2-CG 4.13Å; F424-P456 HydrophobicContact CE1-CG 3.78Å; F424-P456 HydrophobicContact CE2-CG 3.92Å; F424-P456 HydrophobicContact CG-CG 4.17Å; F424-P456 HydrophobicContact CZ-CG 3.73Å; P456-T458 VanDerWaalsContact C-N 3.3Å; P456-T458 PolarHBondContact O-N 3.12Å; P456-L632 VanDerWaalsContact O-CD1 3.31Å; P456-L632 WeakPolarHBondContact O-CD1 3.2Å; P456-L648 HydrophobicContact CB-CB 4.47Å; P456-L648 HydrophobicContact CG-CB 4.44Å; P456-T652 WeakPolarHBondContact CB-OG1 3.37Å; P456-T652 VanDerWaalsContact CG-OG1 3.31Å; P456-T652 WeakPolarHBondContact CG-OG1 3.39Å; P456-P659 HydrophobicContact CB-CB 4.36Å |
| 457 | G | 92.9 | Very high | 96.7 | Very high | 8 Ų | 8 | 7.6 Ų | 7.6 | 8% | 0.082 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 1.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q643 | G457-Q643 PolarHBondContact O-NE2 3.05Š|
| 458 | T | 94.3 | Very high | 96.7 | Very high | 18 Ų | 18 | 7.8 Ų | 7.8 | 11% | 0.11 | 5% | 0.046 | C | C | . | . | trans | -135.7 | 143.3 | 175.3 | -164.6 | 0 | 0 | 0 | 0 | 112.4 | P448 P456 H460 M635 | P448-T458 HydrophobicContact CB-CG2 3.72Å; P448-T458 HydrophobicContact CG-CG2 3.77Å; P456-T458 VanDerWaalsContact C-N 3.3Å; P456-T458 PolarHBondContact O-N 3.12Å; T458-H460 VanDerWaalsContact C-N 3.34Å; T458-H460 WeakPolarHBondContact CG2-O 3.41Å; T458-H460 PolarHBondContact OG1-N 3.14Å; T458-H460 PolarHBondContact OG1-O 3.01Å; T458-M635 PolarHBondContact OG1-N 3.38Å | ||
| 459 | D | 92.6 | Very high | 96.7 | Very high | 26 Ų | 26 | 8.7 Ų | 8.7 | 14% | 0.139 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -77.6 | -25 | 172.4 | -71.1 | -24 | 0 | 0 | 0 | 111.8 | N453 M635 R637 W663 | N453-D459 PolarHBondContact ND2-O 2.83Å; D459-M635 WeakPolarHBondContact CB-O 3.39Å; D459-M635 PolarHBondContact N-O 2.82Å; D459-R637 PolarHBondContact OD2-N 3.13Å; D459-W663 PolarHBondContact O-NE1 2.95Å; D459-W663 VanDerWaalsContact OD1-CD1 3.31Å |
| 460 | H | 93.3 | Very high | 96.7 | Very high | 18 Ų | 18 | 9.6 Ų | 9.6 | 8% | 0.083 | 6% | 0.058 | C | C | . | . | trans | -143 | 133.6 | -177.3 | -67 | -86.9 | 0 | 0 | 0 | 111.4 | N262 N453 T458 M635 W663 | N262-H460 PolarHBondContact ND2-NE2 2.87Å; N453-H460 VanDerWaalsContact OD1-CA 3.29Å; N453-H460 WeakPolarHBondContact OD1-CA 3.48Å; T458-H460 VanDerWaalsContact C-N 3.34Å; T458-H460 WeakPolarHBondContact CG2-O 3.41Å; T458-H460 PolarHBondContact OG1-N 3.14Å; T458-H460 PolarHBondContact OG1-O 3.01Å; H460-M635 HydrophobicContact CB-CE 4.11Å; H460-M635 WeakPolarHBondContact CD2-CE 3.39Å; H460-W663 AromaticContact CE1-CZ2 3.8Å; H460-W663 AromaticContact NE2-CZ2 3.84Å | ||
| 461 | S | 96.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 8.9 Ų | 8.9 | 1% | 0.014 | 5% | 0.054 | C | C | . | . | trans | -107.2 | 153 | 169.9 | 58 | 0 | 0 | 0 | 0 | 111.4 | P448 T450 N453 G463 A464 | P448-S461 WeakPolarHBondContact O-CA 3.17Å; T450-S461 WeakPolarHBondContact CG2-OG 3.47Å; T450-S461 PolarHBondContact O-OG 3.04Å; N453-S461 VanDerWaalsContact CA-OG 3.26Å; N453-S461 WeakPolarHBondContact CA-OG 3.35Å; N453-S461 PolarHBondContact OD1-N 2.98Å; N453-S461 PolarHBondContact OD1-OG 3.17Å; S461-G463 PolarHBondContact O-N 3.14Å; S461-A464 VanDerWaalsContact O-CB 3.28Å; S461-A464 WeakPolarHBondContact O-CB 3.43Å; S461-A464 PolarHBondContact O-N 3.39Å | ||
| 462 | L | 97.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 8.5 Ų | 8.5 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | B | Isolated β-bridge | trans | -60.2 | 133.9 | 174.2 | -66.3 | 167.5 | 0 | 0 | 0 | 111.1 | A334 A340 I418 P448 A449 T450 F597 V601 | A334-L462 WeakPolarHBondContact CB-O 3.32Å; A340-L462 HydrophobicContact CB-CD1 3.92Å; I418-L462 HydrophobicContact CG2-CD1 4.47Å; P448-L462 PolarHBondContact O-N 3.22Å; A449-L462 CarbonylContact C-O 3.52Å; A449-L462 WeakPolarHBondContact CA-O 2.99Å; A449-L462 HydrophobicContact CB-CB 3.83Å; A449-L462 HydrophobicContact CB-CD1 4.32Å; T450-L462 CarbonylContact C-O 3.5Å; T450-L462 PolarHBondContact N-O 3.29Å; L462-F597 HydrophobicContact CD2-CB 4.2Å; L462-F597 HydrophobicContact CD2-CD1 3.48Å; L462-F597 VanDerWaalsContact CD2-CD1 3.48Å; L462-F597 HydrophobicContact CD2-CE1 4.28Å; L462-F597 HydrophobicContact CD2-CG 4.22Å; L462-F597 HydrophobicContact CG-CD1 4.18Å; L462-V601 HydrophobicContact CD1-CG2 4.27Å |
| 463 | G | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | -11.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | A335 S461 S467 D594 | A335-G463 WeakPolarHBondContact O-CA 3.42Å; A335-G463 PolarHBondContact O-N 3.44Å; S461-G463 PolarHBondContact O-N 3.14Å; G463-S467 WeakPolarHBondContact O-CB 3.23Å; G463-S467 PolarHBondContact O-N 3.33Å; G463-D594 WeakPolarHBondContact CA-OD2 3.41Å; G463-D594 PolarHBondContact N-OD1 2.92Å; G463-D594 PolarHBondContact N-OD2 3.28Å |
| 464 | A | 97.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.008 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65 | -44.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N453 S461 S467 L468 Y501 | N453-A464 HydrophobicContact CB-CB 4.26Å; S461-A464 VanDerWaalsContact O-CB 3.28Å; S461-A464 WeakPolarHBondContact O-CB 3.43Å; S461-A464 PolarHBondContact O-N 3.39Å; A464-S467 WeakPolarHBondContact O-CB 3.45Å; A464-S467 PolarHBondContact O-N 3.22Å; A464-L468 WeakPolarHBondContact O-CG 3.09Å; A464-L468 PolarHBondContact O-N 3.49Å; A464-Y501 HydrophobicContact CB-CE1 3.98Å |
| 465 | D | 97.9 | Very high | 96.5 | Very high | 9 Ų | 9 | 12.9 Ų | 12.9 | 5% | 0.048 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67.6 | -41.5 | 179.5 | 178 | 74.7 | 0 | 0 | 0 | 112.3 | S467 L468 N469 S591 F593 | D465-S467 VanDerWaalsContact C-N 3.26Å; D465-S467 PolarHBondContact O-N 2.9Å; D465-L468 PolarHBondContact O-N 3.02Å; D465-N469 PolarHBondContact O-N 3.07Å; D465-N469 PolarHBondContact O-ND2 3Å; D465-N469 PolarHBondContact OD2-ND2 2.95Å; D465-N469 VanDerWaalsContact OD2-ND2 3.14Å; D465-S591 WeakPolarHBondContact OD2-CB 3.32Å; D465-S591 PolarHBondContact OD2-OG 3.41Å; D465-F593 HydrophobicContact CB-CB 4.27Å; D465-F593 HydrophobicContact CB-CD1 3.7Å; D465-F593 HydrophobicContact CB-CE1 4.45Å; D465-F593 HydrophobicContact CB-CG 4.24Å |
| 466 | T | 98.3 | Very high | 96.4 | Very high | 7 Ų | 7 | 14.7 Ų | 14.7 | 4% | 0.043 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -57.2 | -42.9 | 172.4 | -60.9 | 0 | 0 | 0 | 0 | 111 | A335 N469 A470 S591 D594 | A335-T466 HydrophobicContact CB-CG2 3.58Å; T466-N469 PolarHBondContact O-N 2.94Å; T466-A470 PolarHBondContact O-N 3.06Å; T466-S591 PolarHBondContact OG1-N 3.26Å; T466-S591 PolarHBondContact OG1-OG 3.4Å; T466-D594 VanDerWaalsContact CB-OD2 3.23Å; T466-D594 WeakPolarHBondContact CB-OD2 3.22Å; T466-D594 PolarHBondContact N-OD2 2.87Å; T466-D594 PolarHBondContact OG1-OD2 3.1Å |
| 467 | S | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.9 | -44.4 | 177.6 | -165.5 | 0 | 0 | 0 | 0 | 112.6 | G463 A464 D465 N469 A470 I471 Q585 | G463-S467 WeakPolarHBondContact O-CB 3.23Å; G463-S467 PolarHBondContact O-N 3.33Å; A464-S467 WeakPolarHBondContact O-CB 3.45Å; A464-S467 PolarHBondContact O-N 3.22Å; D465-S467 VanDerWaalsContact C-N 3.26Å; D465-S467 PolarHBondContact O-N 2.9Å; S467-N469 VanDerWaalsContact C-N 3.32Å; S467-N469 PolarHBondContact O-N 3.16Å; S467-A470 WeakPolarHBondContact O-CB 3.47Å; S467-A470 PolarHBondContact O-N 2.94Å; S467-A470 VanDerWaalsContact O-N 3.16Å; S467-I471 WeakPolarHBondContact O-CG1 3.25Å; S467-I471 PolarHBondContact O-N 2.79Å; S467-Q585 WeakPolarHBondContact CA-O 3.43Å; S467-Q585 WeakPolarHBondContact CB-O 3.26Å; S467-Q585 PolarHBondContact OG-O 3.33Å |
| 468 | L | 98.2 | Very high | 96.4 | Very high | 4 Ų | 4 | 22.2 Ų | 22.2 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.1 | -43.2 | 175.7 | -71.7 | 173.9 | 0 | 0 | 0 | 111.7 | A228 I232 A464 D465 A470 I471 V472 Y501 L502 V505 | A228-L468 HydrophobicContact CB-CB 3.84Å; I232-L468 HydrophobicContact CD1-CD1 4.48Å; A464-L468 WeakPolarHBondContact O-CG 3.09Å; A464-L468 PolarHBondContact O-N 3.49Å; D465-L468 PolarHBondContact O-N 3.02Å; L468-A470 PolarHBondContact O-N 3.5Å; L468-I471 PolarHBondContact O-N 2.82Å; L468-V472 WeakPolarHBondContact O-CB 3.47Å; L468-V472 VanDerWaalsContact O-CG2 3.24Å; L468-V472 WeakPolarHBondContact O-CG2 3.11Å; L468-V472 PolarHBondContact O-N 3.06Å; L468-Y501 HydrophobicContact CD1-CE1 3.91Å; L468-Y501 HydrophobicContact CD2-CE1 4.36Å; L468-Y501 HydrophobicContact CG-CE1 4.24Å; L468-L502 HydrophobicContact CD2-CD2 3.94Å; L468-L502 HydrophobicContact CG-CD2 4.16Å; L468-V505 HydrophobicContact CD1-CB 4.43Å; L468-V505 HydrophobicContact CD1-CG1 3.67Å; L468-V505 HydrophobicContact CD2-CB 3.92Å; L468-V505 HydrophobicContact CD2-CG1 3.9Å; L468-V505 HydrophobicContact CG-CG1 4.46Å |
| 469 | N | 98.2 | Very high | 96.3 | Very high | 26 Ų | 26 | 22.7 Ų | 22.7 | 14% | 0.139 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.9 | -42.6 | 175.6 | -80.2 | -73.8 | 0 | 0 | 0 | 111.9 | A228 D465 T466 S467 I471 V472 E473 | A228-N469 PolarHBondContact N-OD1 3.46Å; D465-N469 PolarHBondContact O-N 3.07Å; D465-N469 PolarHBondContact O-ND2 3Å; D465-N469 PolarHBondContact OD2-ND2 2.95Å; D465-N469 VanDerWaalsContact OD2-ND2 3.14Å; T466-N469 PolarHBondContact O-N 2.94Å; S467-N469 VanDerWaalsContact C-N 3.32Å; S467-N469 PolarHBondContact O-N 3.16Å; N469-I471 PolarHBondContact O-N 3.02Å; N469-V472 PolarHBondContact O-N 3.12Å; N469-E473 WeakPolarHBondContact O-CB 3.39Å; N469-E473 PolarHBondContact O-N 3.44Å |
| 470 | A | 97.6 | Very high | 96.2 | Very high | 18 Ų | 18 | 28.6 Ų | 28.6 | 15% | 0.149 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.3 | -41.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T466 S467 L468 T474 | T466-A470 PolarHBondContact O-N 3.06Å; S467-A470 WeakPolarHBondContact O-CB 3.47Å; S467-A470 PolarHBondContact O-N 2.94Å; S467-A470 VanDerWaalsContact O-N 3.16Å; L468-A470 PolarHBondContact O-N 3.5Å; A470-T474 WeakPolarHBondContact O-CB 3.46Å; A470-T474 PolarHBondContact O-N 2.98Å; A470-T474 PolarHBondContact O-OG1 3.41Å |
| 471 | I | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.8 | -50.1 | 175 | -67.9 | 165.6 | 0 | 0 | 0 | 110.1 | S467 L468 N469 E473 T474 C475 T494 L502 L548 L581 Q585 | S467-I471 WeakPolarHBondContact O-CG1 3.25Å; S467-I471 PolarHBondContact O-N 2.79Å; L468-I471 PolarHBondContact O-N 2.82Å; N469-I471 PolarHBondContact O-N 3.02Å; I471-E473 PolarHBondContact O-N 3.1Å; I471-T474 PolarHBondContact O-N 3.05Å; I471-C475 WeakPolarHBondContact O-CB 3.27Å; I471-C475 PolarHBondContact O-N 3.33Å; I471-C475 PolarHBondContact O-SG 2.95Å; I471-T494 HydrophobicContact CD1-CG2 4.24Å; I471-T494 HydrophobicContact CG2-CG2 4.41Å; I471-L502 HydrophobicContact CD1-CB 3.8Å; I471-L502 HydrophobicContact CD1-CD1 4.38Å; I471-L502 HydrophobicContact CD1-CD2 4.02Å; I471-L502 HydrophobicContact CD1-CG 4.29Å; I471-L548 HydrophobicContact CG2-CD2 4.24Å; I471-L581 HydrophobicContact CB-CD1 4.33Å; I471-L581 HydrophobicContact CG1-CD1 3.86Å; I471-L581 HydrophobicContact CG2-CD1 4.26Å; I471-Q585 HydrophobicContact CD1-CG 4.47Å; I471-Q585 HydrophobicContact CG1-CG 3.96Å |
| 472 | V | 96.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.2 | -44.6 | -177.6 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | A228 R231 L468 N469 C475 D476 A509 | A228-V472 HydrophobicContact CB-CB 4.48Å; A228-V472 HydrophobicContact CB-CG2 3.92Å; R231-V472 VanDerWaalsContact NH1-CG1 3.26Å; L468-V472 WeakPolarHBondContact O-CB 3.47Å; L468-V472 VanDerWaalsContact O-CG2 3.24Å; L468-V472 WeakPolarHBondContact O-CG2 3.11Å; L468-V472 PolarHBondContact O-N 3.06Å; N469-V472 PolarHBondContact O-N 3.12Å; V472-C475 PolarHBondContact O-N 3.35Å; V472-D476 PolarHBondContact O-N 3.11Å; V472-A509 HydrophobicContact CG2-CB 3.43Å; V472-A509 VanDerWaalsContact CG2-CB 3.43Å |
| 473 | E | 96 | Very high | 95.1 | Very high | 102 Ų | 102 | 33.8 Ų | 33.8 | 48% | 0.477 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.1 | -43.3 | 177.5 | -174 | 179.7 | -177.1 | 0 | 0 | 111.5 | N469 I471 D476 R477 | N469-E473 WeakPolarHBondContact O-CB 3.39Å; N469-E473 PolarHBondContact O-N 3.44Å; I471-E473 PolarHBondContact O-N 3.1Å; E473-D476 PolarHBondContact O-N 3.33Å; E473-R477 WeakPolarHBondContact O-CG 3.42Å; E473-R477 PolarHBondContact O-N 2.94Å; E473-R477 VanDerWaalsContact O-N 3.08Å; E473-R477 IonicContact OE1-CZ 2.58Å; E473-R477 IonicContact OE1-NE 2.58Å; E473-R477 IonicContact OE1-NH2 2.9Å; E473-R477 PolarHBondContact OE1-NH2 2.83Å |
| 474 | T | 96.1 | Very high | 94.5 | Very high | 27 Ų | 27 | 37.1 Ų | 37.1 | 17% | 0.166 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.4 | -43.7 | 177.2 | -48 | 0 | 0 | 0 | 0 | 110.7 | A470 I471 D476 R477 I478 L581 | A470-T474 WeakPolarHBondContact O-CB 3.46Å; A470-T474 PolarHBondContact O-N 2.98Å; A470-T474 PolarHBondContact O-OG1 3.41Å; I471-T474 PolarHBondContact O-N 3.05Å; T474-D476 VanDerWaalsContact C-N 3.28Å; T474-D476 PolarHBondContact O-N 3.34Å; T474-R477 PolarHBondContact O-N 3.38Å; T474-I478 HydrophobicContact CG2-CD1 3.89Å; T474-I478 HydrophobicContact CG2-CG1 4.44Å; T474-I478 VanDerWaalsContact O-CG1 3.26Å; T474-I478 WeakPolarHBondContact O-CG1 3.38Å; T474-I478 PolarHBondContact O-N 3.49Å; T474-L581 HydrophobicContact CG2-CD2 3.63Å |
| 475 | C | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.4 | -39.4 | 174.3 | -76.4 | 0 | 0 | 0 | 0 | 111.9 | I471 V472 I478 K479 I492 A510 L546 | I471-C475 WeakPolarHBondContact O-CB 3.27Å; I471-C475 PolarHBondContact O-N 3.33Å; I471-C475 PolarHBondContact O-SG 2.95Å; V472-C475 PolarHBondContact O-N 3.35Å; C475-I478 PolarHBondContact O-N 2.95Å; C475-K479 WeakPolarHBondContact O-CB 3.11Å; C475-K479 WeakPolarHBondContact O-CE 3.29Å; C475-K479 VanDerWaalsContact O-CG 3.23Å; C475-K479 WeakPolarHBondContact O-CG 3.22Å; C475-K479 PolarHBondContact O-N 3.3Å; C475-I492 VanDerWaalsContact SG-CD1 3.55Å; C475-A510 HydrophobicContact CB-CB 3.66Å; C475-L546 HydrophobicContact CB-CD2 4.25Å |
| 476 | D | 95 | Very high | 93.2 | Very high | 38 Ų | 38 | 46.6 Ų | 46.6 | 20% | 0.203 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 175.4 | -75.9 | -12.6 | 0 | 0 | 0 | 112.1 | R231 V472 E473 T474 I478 K479 Q480 | R231-D476 IonicContact CZ-OD2 3.55Å; R231-D476 VanDerWaalsContact NH1-CG 3.32Å; R231-D476 IonicContact NH1-OD1 3.61Å; R231-D476 PolarHBondContact NH1-OD1 2.91Å; R231-D476 IonicContact NH1-OD2 2.71Å; R231-D476 PolarHBondContact NH1-OD2 3.31Å; R231-D476 IonicContact NH2-OD2 3.51Å; R231-D476 PolarHBondContact NH2-OD2 2.87Å; V472-D476 PolarHBondContact O-N 3.11Å; E473-D476 PolarHBondContact O-N 3.33Å; T474-D476 VanDerWaalsContact C-N 3.28Å; T474-D476 PolarHBondContact O-N 3.34Å; D476-I478 VanDerWaalsContact C-N 3.32Å; D476-I478 PolarHBondContact O-N 2.86Å; D476-K479 PolarHBondContact O-N 2.6Å; D476-K479 WeakPolarHBondContact OD1-CE 3.47Å; D476-K479 IonicContact OD1-NZ 3.05Å; D476-K479 PolarHBondContact OD1-NZ 2.82Å; D476-Q480 PolarHBondContact O-N 2.97Å |
| 477 | R | 94.9 | Very high | 92.9 | Very high | 155 Ų | 155 | 52.2 Ų | 52.2 | 59% | 0.585 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61.2 | -40.7 | 175.6 | -65 | 172 | -174.7 | -169.7 | 1 | 111.6 | E473 T474 Q480 S481 | E473-R477 WeakPolarHBondContact O-CG 3.42Å; E473-R477 PolarHBondContact O-N 2.94Å; E473-R477 VanDerWaalsContact O-N 3.08Å; E473-R477 IonicContact OE1-CZ 2.58Å; E473-R477 IonicContact OE1-NE 2.58Å; E473-R477 IonicContact OE1-NH2 2.9Å; E473-R477 PolarHBondContact OE1-NH2 2.83Å; T474-R477 PolarHBondContact O-N 3.38Å; R477-Q480 WeakPolarHBondContact O-CB 3.34Å; R477-Q480 PolarHBondContact O-N 2.89Å; R477-S481 PolarHBondContact O-N 2.94Å; R477-S481 VanDerWaalsContact O-N 3.13Å |
| 478 | I | 94.1 | Very high | 92.7 | Very high | 12 Ų | 12 | 54 Ų | 54 | 6% | 0.062 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.3 | -44.5 | 176.5 | -68.6 | 164.2 | 0 | 0 | 0 | 111 | T474 C475 D476 Q480 S481 A482 F490 I492 N579 | T474-I478 HydrophobicContact CG2-CD1 3.89Å; T474-I478 HydrophobicContact CG2-CG1 4.44Å; T474-I478 VanDerWaalsContact O-CG1 3.26Å; T474-I478 WeakPolarHBondContact O-CG1 3.38Å; T474-I478 PolarHBondContact O-N 3.49Å; C475-I478 PolarHBondContact O-N 2.95Å; D476-I478 VanDerWaalsContact C-N 3.32Å; D476-I478 PolarHBondContact O-N 2.86Å; I478-Q480 VanDerWaalsContact C-N 3.27Å; I478-Q480 PolarHBondContact O-N 3.04Å; I478-S481 WeakPolarHBondContact O-CB 3.21Å; I478-S481 PolarHBondContact O-N 3.36Å; I478-S481 VanDerWaalsContact O-N 3.16Å; I478-A482 PolarHBondContact O-N 2.93Å; I478-F490 HydrophobicContact CG2-CB 3.67Å; I478-F490 HydrophobicContact CG2-CD1 3.49Å; I478-F490 VanDerWaalsContact CG2-CD1 3.49Å; I478-F490 HydrophobicContact CG2-CD2 3.47Å; I478-F490 VanDerWaalsContact CG2-CD2 3.47Å; I478-F490 HydrophobicContact CG2-CE1 3.9Å; I478-F490 HydrophobicContact CG2-CE2 3.89Å; I478-F490 HydrophobicContact CG2-CG 3.24Å; I478-F490 HydrophobicContact CG2-CZ 4.08Å; I478-I492 HydrophobicContact CD1-CD1 3.48Å; I478-I492 VanDerWaalsContact CD1-CD1 3.48Å; I478-I492 HydrophobicContact CD1-CG1 4.13Å; I478-I492 HydrophobicContact CG2-CD1 4.33Å; I478-N579 HydrophobicContact CD1-CB 4.32Å; I478-N579 VanDerWaalsContact CD1-ND2 3.35Å; I478-N579 WeakPolarHBondContact CD1-ND2 3.29Å |
| 479 | K | 92.3 | Very high | 92.6 | Very high | 27 Ų | 27 | 53.8 Ų | 53.8 | 12% | 0.117 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.6 | -38.9 | 176 | -76.9 | -180 | -66.2 | -177.2 | 0 | 111.5 | C475 D476 A482 S483 A510 R544 L546 | C475-K479 WeakPolarHBondContact O-CB 3.11Å; C475-K479 WeakPolarHBondContact O-CE 3.29Å; C475-K479 VanDerWaalsContact O-CG 3.23Å; C475-K479 WeakPolarHBondContact O-CG 3.22Å; C475-K479 PolarHBondContact O-N 3.3Å; D476-K479 PolarHBondContact O-N 2.6Å; D476-K479 WeakPolarHBondContact OD1-CE 3.47Å; D476-K479 IonicContact OD1-NZ 3.05Å; D476-K479 PolarHBondContact OD1-NZ 2.82Å; K479-A482 PolarHBondContact O-N 2.87Å; K479-S483 WeakPolarHBondContact O-CB 3.39Å; K479-S483 PolarHBondContact O-N 2.89Å; K479-S483 PolarHBondContact O-OG 2.74Å; K479-A510 PolarHBondContact NZ-O 2.96Å; K479-R544 VanDerWaalsContact CG-NH1 3.3Å; K479-L546 HydrophobicContact CD-CD2 4.28Å; K479-L546 HydrophobicContact CG-CD2 4.4Å |
| 480 | Q | 90.4 | Very high | 92.6 | Very high | 151 Ų | 151 | 53.5 Ų | 53.5 | 71% | 0.706 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62.4 | -45.3 | 175.3 | -171.9 | 177.5 | 3.3 | 0 | 0 | 111.3 | D476 R477 I478 S483 G484 | D476-Q480 PolarHBondContact O-N 2.97Å; R477-Q480 WeakPolarHBondContact O-CB 3.34Å; R477-Q480 PolarHBondContact O-N 2.89Å; I478-Q480 VanDerWaalsContact C-N 3.27Å; I478-Q480 PolarHBondContact O-N 3.04Å; Q480-S483 PolarHBondContact O-N 3.31Å; Q480-G484 PolarHBondContact O-N 2.85Å; Q480-G484 VanDerWaalsContact O-N 3.13Å |
| 481 | S | 90.2 | Very high | 92.6 | Very high | 64 Ų | 64 | 52.7 Ų | 52.7 | 45% | 0.448 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 174.4 | -179.6 | 0 | 0 | 0 | 0 | 112.8 | R477 I478 S483 G484 T485 | R477-S481 PolarHBondContact O-N 2.94Å; R477-S481 VanDerWaalsContact O-N 3.13Å; I478-S481 WeakPolarHBondContact O-CB 3.21Å; I478-S481 PolarHBondContact O-N 3.36Å; I478-S481 VanDerWaalsContact O-N 3.16Å; S481-S483 VanDerWaalsContact C-N 3.32Å; S481-S483 PolarHBondContact O-N 3.37Å; S481-G484 PolarHBondContact O-N 3.21Å; S481-T485 PolarHBondContact O-N 2.93Å; S481-T485 PolarHBondContact O-OG1 3.47Å; S481-T485 VanDerWaalsContact O-OG1 3.12Å |
| 482 | A | 87.9 | Confident | 92.6 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 2% | 0.017 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I478 K479 G484 T485 K486 R488 F490 R544 | I478-A482 PolarHBondContact O-N 2.93Å; K479-A482 PolarHBondContact O-N 2.87Å; A482-G484 VanDerWaalsContact C-N 3.33Å; A482-G484 PolarHBondContact O-N 2.86Å; A482-T485 PolarHBondContact O-N 3.1Å; A482-K486 PolarHBondContact O-N 2.67Å; A482-R488 HydrophobicContact CB-CB 4.28Å; A482-F490 HydrophobicContact CB-CD2 3.95Å; A482-F490 HydrophobicContact CB-CE2 3.71Å; A482-R544 HydrophobicContact CB-CB 3.95Å |
| 483 | S | 85.6 | Confident | 92.7 | Very high | 64 Ų | 64 | 54.2 Ų | 54.2 | 45% | 0.448 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.7 | -33.5 | -179.1 | -55.5 | 0 | 0 | 0 | 0 | 112.3 | K479 Q480 S481 R544 | K479-S483 WeakPolarHBondContact O-CB 3.39Å; K479-S483 PolarHBondContact O-N 2.89Å; K479-S483 PolarHBondContact O-OG 2.74Å; Q480-S483 PolarHBondContact O-N 3.31Å; S481-S483 VanDerWaalsContact C-N 3.32Å; S481-S483 PolarHBondContact O-N 3.37Å; S483-R544 WeakPolarHBondContact OG-CD 3.25Å |
| 484 | G | 84.2 | Confident | 92.8 | Very high | 69 Ų | 69 | 49.4 Ų | 49.4 | 71% | 0.711 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -70.3 | -32.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q480 S481 A482 | Q480-G484 PolarHBondContact O-N 2.85Å; Q480-G484 VanDerWaalsContact O-N 3.13Å; S481-G484 PolarHBondContact O-N 3.21Å; A482-G484 VanDerWaalsContact C-N 3.33Å; A482-G484 PolarHBondContact O-N 2.86Å |
| 485 | T | 84.3 | Confident | 92.9 | Very high | 72 Ų | 72 | 49.6 Ų | 49.6 | 44% | 0.442 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -94.3 | -17.6 | -178.6 | 44.1 | 0 | 0 | 0 | 0 | 113.9 | S481 A482 R488 | S481-T485 PolarHBondContact O-N 2.93Å; S481-T485 PolarHBondContact O-OG1 3.47Å; S481-T485 VanDerWaalsContact O-OG1 3.12Å; A482-T485 PolarHBondContact O-N 3.1Å; T485-R488 PolarHBondContact OG1-NE 3.4Å; T485-R488 PolarHBondContact OG1-NH1 2.95Å |
| 486 | K | 85.3 | Confident | 92.9 | Very high | 138 Ų | 138 | 49.6 Ų | 49.6 | 60% | 0.6 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 58.7 | 155.8 | -174.3 | -57.4 | -179.3 | -179.5 | -179.9 | 0 | 112.6 | A482 R488 | A482-K486 PolarHBondContact O-N 2.67Å; K486-R488 PolarHBondContact O-N 3.29Å |
| 487 | R | 91.2 | Very high | 93 | Very high | 124 Ų | 124 | 48.8 Ų | 48.8 | 47% | 0.468 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 48.4 | 53.7 | 177.2 | -62.7 | 179.3 | 176.8 | -170.3 | 0.9 | 112.5 | Q543 V573 F574 D575 | R487-Q543 WeakPolarHBondContact CA-O 3.2Å; R487-Q543 HydrophobicContact CG-CB 4.22Å; R487-Q543 PolarHBondContact N-O 3.47Å; R487-V573 WeakPolarHBondContact CB-O 3.46Å; R487-V573 WeakPolarHBondContact CD-O 3.07Å; R487-F574 HydrophobicContact CB-CB 4.36Å; R487-F574 CarbonylContact O-C 3.52Å; R487-F574 WeakPolarHBondContact O-CA 3.37Å; R487-F574 VanDerWaalsContact O-CB 3.22Å; R487-F574 WeakPolarHBondContact O-CB 3.21Å; R487-D575 PolarHBondContact O-N 3.46Å |
| 488 | R | 94.3 | Very high | 93.1 | Very high | 38 Ų | 38 | 44.4 Ų | 44.4 | 14% | 0.143 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 134 | -178 | -170.4 | 159.7 | -70.6 | 175.6 | -0.7 | 112.5 | A482 T485 K486 F490 R544 G545 D575 | A482-R488 HydrophobicContact CB-CB 4.28Å; T485-R488 PolarHBondContact OG1-NE 3.4Å; T485-R488 PolarHBondContact OG1-NH1 2.95Å; K486-R488 PolarHBondContact O-N 3.29Å; R488-F490 HydrophobicContact CG-CD2 4.1Å; R488-F490 HydrophobicContact CG-CE2 3.66Å; R488-F490 HydrophobicContact CG-CZ 4.37Å; R488-R544 CarbonylContact O-C 3.51Å; R488-R544 WeakPolarHBondContact O-CA 3.46Å; R488-G545 PolarHBondContact O-N 3.02Å; R488-D575 CarbonylContact C-O 3.55Å; R488-D575 WeakPolarHBondContact CA-O 3.42Å; R488-D575 IonicContact CZ-OD2 3.8Å; R488-D575 IonicContact NE-OD2 2.78Å; R488-D575 IonicContact NH2-OD2 3.07Å; R488-D575 PolarHBondContact NH2-OD2 3.03Å |
| 489 | V | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 136.1 | 175.2 | -180 | 0 | 0 | 0 | 0 | 109.2 | I491 L534 M538 G545 V547 Y566 F574 D575 C576 R577 | V489-I491 HydrophobicContact CG1-CD1 4.22Å; V489-L534 HydrophobicContact CG1-CD1 3.91Å; V489-L534 HydrophobicContact CG2-CD1 4.11Å; V489-M538 HydrophobicContact CG2-CE 3.39Å; V489-G545 WeakPolarHBondContact CA-O 3.28Å; V489-V547 HydrophobicContact CG1-CG2 3.99Å; V489-Y566 HydrophobicContact CG1-CD1 4.15Å; V489-F574 HydrophobicContact CB-CD2 3.95Å; V489-F574 HydrophobicContact CB-CE2 4.02Å; V489-F574 HydrophobicContact CG2-CB 4.35Å; V489-F574 HydrophobicContact CG2-CD1 4.16Å; V489-F574 HydrophobicContact CG2-CD2 3.38Å; V489-F574 HydrophobicContact CG2-CE1 4.29Å; V489-F574 HydrophobicContact CG2-CE2 3.56Å; V489-F574 HydrophobicContact CG2-CG 3.71Å; V489-F574 HydrophobicContact CG2-CZ 4.02Å; V489-D575 PolarHBondContact N-O 2.99Å; V489-C576 CarbonylContact O-C 3.53Å; V489-C576 WeakPolarHBondContact O-CA 3.36Å; V489-R577 PolarHBondContact O-N 2.92Å |
| 490 | F | 97.6 | Very high | 93.5 | Very high | 20 Ų | 20 | 42.6 Ų | 42.6 | 9% | 0.088 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 128.3 | 172.1 | -79.4 | -94.3 | 0 | 0 | 0 | 111 | I478 A482 R488 I492 G545 L546 V547 R577 | I478-F490 HydrophobicContact CG2-CB 3.67Å; I478-F490 HydrophobicContact CG2-CD1 3.49Å; I478-F490 VanDerWaalsContact CG2-CD1 3.49Å; I478-F490 HydrophobicContact CG2-CD2 3.47Å; I478-F490 VanDerWaalsContact CG2-CD2 3.47Å; I478-F490 HydrophobicContact CG2-CE1 3.9Å; I478-F490 HydrophobicContact CG2-CE2 3.89Å; I478-F490 HydrophobicContact CG2-CG 3.24Å; I478-F490 HydrophobicContact CG2-CZ 4.08Å; A482-F490 HydrophobicContact CB-CD2 3.95Å; A482-F490 HydrophobicContact CB-CE2 3.71Å; R488-F490 HydrophobicContact CG-CD2 4.1Å; R488-F490 HydrophobicContact CG-CE2 3.66Å; R488-F490 HydrophobicContact CG-CZ 4.37Å; F490-I492 HydrophobicContact CB-CG1 4.33Å; F490-G545 PolarHBondContact N-O 3.19Å; F490-L546 HydrophobicContact CB-CD1 4.37Å; F490-V547 PolarHBondContact O-N 3.19Å; F490-R577 CarbonylContact C-O 3.57Å; F490-R577 VanDerWaalsContact CA-O 3.29Å; F490-R577 WeakPolarHBondContact CA-O 3.34Å; F490-R577 HydrophobicContact CD1-CB 3.67Å; F490-R577 HydrophobicContact CE1-CB 3.51Å; F490-R577 HydrophobicContact CE1-CG 4.15Å; F490-R577 HydrophobicContact CG-CB 4.38Å; F490-R577 HydrophobicContact CZ-CB 4.1Å; F490-R577 HydrophobicContact CZ-CG 4.32Å |
| 491 | I | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 117.9 | 166.4 | -45.6 | -54.5 | 0 | 0 | 0 | 107.7 | V489 V547 T559 I562 Y566 R577 K578 N579 | V489-I491 HydrophobicContact CG1-CD1 4.22Å; I491-V547 CarbonylContact C-O 3.58Å; I491-V547 HydrophobicContact CD1-CB 3.61Å; I491-V547 HydrophobicContact CD1-CG1 3.92Å; I491-V547 HydrophobicContact CD1-CG2 3.73Å; I491-T559 HydrophobicContact CG2-CG2 4.25Å; I491-I562 HydrophobicContact CD1-CG2 4.05Å; I491-I562 HydrophobicContact CG1-CG2 4.3Å; I491-I562 HydrophobicContact CG2-CG2 4.16Å; I491-Y566 HydrophobicContact CD1-CD1 3.8Å; I491-Y566 HydrophobicContact CD1-CE1 4.09Å; I491-Y566 HydrophobicContact CD1-CG 4.13Å; I491-R577 PolarHBondContact N-O 2.69Å; I491-K578 CarbonylContact O-C 3.53Å; I491-K578 VanDerWaalsContact O-CA 3.26Å; I491-K578 WeakPolarHBondContact O-CA 2.96Å; I491-N579 PolarHBondContact O-N 3.33Å |
| 492 | I | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 118.5 | -175.8 | -59.2 | -177.2 | 0 | 0 | 0 | 109.2 | C475 I478 F490 L546 V547 L548 R549 N579 L581 | C475-I492 VanDerWaalsContact SG-CD1 3.55Å; I478-I492 HydrophobicContact CD1-CD1 3.48Å; I478-I492 VanDerWaalsContact CD1-CD1 3.48Å; I478-I492 HydrophobicContact CD1-CG1 4.13Å; I478-I492 HydrophobicContact CG2-CD1 4.33Å; F490-I492 HydrophobicContact CB-CG1 4.33Å; I492-L546 HydrophobicContact CD1-CD1 3.33Å; I492-L546 HydrophobicContact CD1-CG 4.39Å; I492-L546 HydrophobicContact CG1-CD1 4.16Å; I492-V547 PolarHBondContact N-O 3.3Å; I492-L548 HydrophobicContact CB-CD1 4.39Å; I492-L548 HydrophobicContact CB-CG 4.26Å; I492-L548 CarbonylContact O-C 3.52Å; I492-L548 WeakPolarHBondContact O-CA 3.36Å; I492-R549 PolarHBondContact O-N 3.07Å; I492-N579 CarbonylContact C-O 3.57Å; I492-N579 VanDerWaalsContact CA-O 3.31Å; I492-N579 WeakPolarHBondContact CA-O 3.24Å; I492-L581 HydrophobicContact CG2-CD1 3.8Å; I492-L581 HydrophobicContact CG2-CD2 3.87Å; I492-L581 HydrophobicContact CG2-CG 3.64Å |
| 493 | E | 98.6 | Very high | 94.7 | Very high | 35 Ų | 35 | 32.4 Ų | 32.4 | 16% | 0.164 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 123.8 | 173.4 | -170.1 | 178.6 | 98.6 | 0 | 0 | 110.7 | R549 E551 T559 N579 I580 L581 | E493-R549 CarbonylContact C-O 3.46Å; E493-R549 VanDerWaalsContact CA-O 3.31Å; E493-R549 WeakPolarHBondContact CA-O 3.25Å; E493-R549 IonicContact OE2-NH1 3.45Å; E493-R549 PolarHBondContact OE2-NH1 2.94Å; E493-E551 HydrophobicContact CG-CB 4.27Å; E493-T559 WeakPolarHBondContact OE2-CB 3.41Å; E493-T559 PolarHBondContact OE2-OG1 2.92Å; E493-N579 PolarHBondContact N-O 3.15Å; E493-I580 HydrophobicContact CB-CB 4.39Å; E493-I580 HydrophobicContact CB-CG1 4.05Å; E493-I580 HydrophobicContact CB-CG2 4.3Å; E493-I580 WeakPolarHBondContact OE1-CG2 3.4Å; E493-L581 WeakPolarHBondContact O-CG 3.32Å; E493-L581 PolarHBondContact O-N 2.93Å |
| 494 | T | 98.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 151.7 | 172.7 | 66.6 | 0 | 0 | 0 | 0 | 110.6 | I471 A503 L548 R549 E551 L581 Q585 | I471-T494 HydrophobicContact CD1-CG2 4.24Å; I471-T494 HydrophobicContact CG2-CG2 4.41Å; T494-A503 WeakPolarHBondContact OG1-CB 3.49Å; T494-L548 HydrophobicContact CG2-CD2 4.03Å; T494-L548 HydrophobicContact CG2-CG 4.34Å; T494-R549 PolarHBondContact N-O 3.2Å; T494-R549 PolarHBondContact OG1-O 2.78Å; T494-E551 PolarHBondContact O-N 3.17Å; T494-L581 HydrophobicContact CG2-CD1 4.29Å; T494-Q585 VanDerWaalsContact CB-OE1 3.3Å |
| 495 | M | 97.8 | Very high | 95.9 | Very high | 31 Ų | 31 | 26.2 Ų | 26.2 | 15% | 0.153 | 12% | 0.122 | C | C | . | . | trans | -70.9 | 177.8 | 169.6 | -76.3 | 172.1 | 89.3 | 0 | 0 | 110.3 | I451 E551 G582 Q585 | I451-M495 HydrophobicContact CD1-CB 4.23Å; I451-M495 HydrophobicContact CD1-CE 4.39Å; I451-M495 HydrophobicContact CD1-SD 4.04Å; M495-E551 WeakPolarHBondContact CA-OE1 3.33Å; M495-G582 VanDerWaalsContact SD-O 3.34Å; M495-Q585 HydrophobicContact SD-CB 4.44Å | ||
| 496 | G | 96 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | 148.3 | -1.5 | 172 | 0 | 0 | 0 | 0 | 0 | 113.6 | S452 Y498 C499 E551 | S452-G496 WeakPolarHBondContact OG-CA 3.13Å; G496-Y498 PolarHBondContact O-N 3.41Å; G496-C499 VanDerWaalsContact O-CB 3.28Å; G496-C499 WeakPolarHBondContact O-CB 3.33Å; G496-C499 PolarHBondContact O-N 2.89Å; G496-E551 PolarHBondContact N-OE1 3.28Å | ||
| 497 | G | 96.8 | Very high | 97.1 | Very high | 21 Ų | 21 | 16.2 Ų | 16.2 | 22% | 0.216 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | -132.7 | -160.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | C499 N550 E551 N552 | G497-C499 VanDerWaalsContact C-N 3.26Å; G497-C499 PolarHBondContact O-N 3.26Å; G497-N550 PolarHBondContact O-ND2 3.48Å; G497-N550 PolarHBondContact O-OD1 3.23Å; G497-E551 WeakPolarHBondContact CA-OE1 3.33Å; G497-E551 PolarHBondContact N-OE1 3.31Å; G497-N552 WeakPolarHBondContact O-CB 3.28Å |
| 498 | Y | 97.4 | Very high | 97.3 | Very high | 64 Ų | 64 | 10.8 Ų | 10.8 | 25% | 0.251 | 5% | 0.053 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -1.1 | 173.7 | -65.8 | -85.4 | 0 | 0 | 0 | 114 | G496 Y518 N552 H656 | G496-Y498 PolarHBondContact O-N 3.41Å; Y498-Y518 HydrophobicContact CD1-CD1 4.04Å; Y498-Y518 AromaticContact CD1-CD2 3.62Å; Y498-Y518 HydrophobicContact CD1-CD2 3.62Å; Y498-Y518 HydrophobicContact CD1-CE1 4.25Å; Y498-Y518 AromaticContact CD1-CE2 3.87Å; Y498-Y518 HydrophobicContact CD1-CE2 3.87Å; Y498-Y518 AromaticContact CD1-CG 3.72Å; Y498-Y518 HydrophobicContact CD1-CG 3.72Å; Y498-Y518 HydrophobicContact CE1-CD2 4.18Å; Y498-Y518 HydrophobicContact CE1-CE2 4.17Å; Y498-Y518 HydrophobicContact CG-CD1 4.44Å; Y498-Y518 HydrophobicContact CG-CG 4.45Å; Y498-Y518 WeakPolarHBondContact O-CB 3.45Å; Y498-N552 HydrophobicContact CD1-CB 3.73Å; Y498-N552 HydrophobicContact CD2-CB 4.38Å; Y498-N552 HydrophobicContact CE1-CB 3.79Å; Y498-N552 HydrophobicContact CE2-CB 4.41Å; Y498-N552 HydrophobicContact CG-CB 4.06Å; Y498-H656 AromaticContact CD1-CD2 3.96Å; Y498-H656 HydrophobicContact CD2-CB 4.03Å; Y498-H656 WeakPolarHBondContact CD2-O 3.44Å; Y498-H656 AromaticContact CE1-CD2 3.91Å; Y498-H656 HydrophobicContact CG-CB 3.94Å |
| 499 | C | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.049 | C | C | . | . | trans | -87.6 | 113.7 | 177.5 | -172.6 | 0 | 0 | 0 | 0 | 110.9 | S452 N454 G496 G497 Y501 E519 N550 I658 Q662 | S452-C499 PolarHBondContact O-SG 2.86Å; N454-C499 HydrophobicContact CB-CB 3.74Å; G496-C499 VanDerWaalsContact O-CB 3.28Å; G496-C499 WeakPolarHBondContact O-CB 3.33Å; G496-C499 PolarHBondContact O-N 2.89Å; G497-C499 VanDerWaalsContact C-N 3.26Å; G497-C499 PolarHBondContact O-N 3.26Å; C499-Y501 PolarHBondContact O-N 3.37Å; C499-E519 WeakPolarHBondContact CA-OE1 3.27Å; C499-N550 PolarHBondContact O-ND2 2.91Å; C499-N550 VanDerWaalsContact O-ND2 3.14Å; C499-I658 HydrophobicContact CB-CG2 3.84Å; C499-Q662 PolarHBondContact SG-NE2 3.12Å | ||
| 500 | G | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 6.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L502 A503 T504 E519 | G500-L502 PolarHBondContact O-N 3.25Å; G500-A503 PolarHBondContact O-N 3.45Å; G500-T504 VanDerWaalsContact O-CB 3.3Å; G500-T504 WeakPolarHBondContact O-CB 3.38Å; G500-T504 PolarHBondContact O-N 3.23Å; G500-T504 PolarHBondContact O-OG1 3.39Å; G500-E519 WeakPolarHBondContact CA-OE2 3.1Å; G500-E519 VanDerWaalsContact N-CD 3.34Å; G500-E519 PolarHBondContact N-OE1 2.91Å; G500-E519 PolarHBondContact N-OE2 3.02Å; G500-E519 VanDerWaalsContact N-OE2 3.12Å |
| 501 | Y | 97.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 10.8 Ų | 10.8 | 2% | 0.016 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -55 | -53.9 | -175.6 | 173.6 | -98.2 | 0 | 0 | 0 | 112.3 | N453 A464 L468 C499 A503 T504 V505 W663 W664 | N453-Y501 HydrophobicContact CB-CD1 3.54Å; N453-Y501 HydrophobicContact CB-CD2 4.25Å; N453-Y501 HydrophobicContact CB-CE1 3.86Å; N453-Y501 HydrophobicContact CB-CE2 4.46Å; N453-Y501 HydrophobicContact CB-CG 3.76Å; N453-Y501 WeakPolarHBondContact ND2-CD2 3.4Å; N453-Y501 WeakPolarHBondContact ND2-CE2 3.48Å; A464-Y501 HydrophobicContact CB-CE1 3.98Å; L468-Y501 HydrophobicContact CD1-CE1 3.91Å; L468-Y501 HydrophobicContact CD2-CE1 4.36Å; L468-Y501 HydrophobicContact CG-CE1 4.24Å; C499-Y501 PolarHBondContact O-N 3.37Å; Y501-A503 PolarHBondContact O-N 3.23Å; Y501-T504 PolarHBondContact O-N 2.96Å; Y501-V505 HydrophobicContact CD2-CG2 3.71Å; Y501-V505 HydrophobicContact CE2-CB 4.38Å; Y501-V505 HydrophobicContact CE2-CG2 3.68Å; Y501-V505 HydrophobicContact CG-CG2 4.38Å; Y501-V505 VanDerWaalsContact O-CB 3.3Å; Y501-V505 WeakPolarHBondContact O-CB 3.43Å; Y501-V505 WeakPolarHBondContact O-CG2 3.46Å; Y501-V505 PolarHBondContact O-N 3.39Å; Y501-W663 AromaticContact CE2-CZ2 3.92Å; Y501-W663 HydrophobicContact CE2-CZ2 3.92Å; Y501-W664 HydrophobicContact CD2-CB 4.25Å; Y501-W664 AromaticContact CD2-CD1 3.42Å; Y501-W664 VanDerWaalsContact CD2-CD1 3.42Å; Y501-W664 HydrophobicContact CD2-CD2 4.22Å; Y501-W664 AromaticContact CD2-CG 3.7Å; Y501-W664 HydrophobicContact CD2-CG 3.7Å; Y501-W664 AromaticContact CD2-NE1 3.67Å; Y501-W664 HydrophobicContact CE2-CG 4.44Å; Y501-W664 VanDerWaalsContact N-CZ2 3.25Å |
| 502 | L | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.2 | -42.9 | -177.7 | -71.9 | -179.1 | 0 | 0 | 0 | 112 | I451 L468 I471 G500 G506 | I451-L502 HydrophobicContact CB-CD1 4.3Å; I451-L502 HydrophobicContact CD1-CD1 4.29Å; I451-L502 HydrophobicContact CG1-CD1 4.18Å; I451-L502 WeakPolarHBondContact O-CD1 3.35Å; I451-L502 VanDerWaalsContact O-CD2 3.29Å; I451-L502 WeakPolarHBondContact O-CD2 3.46Å; I451-L502 WeakPolarHBondContact O-CG 3.48Å; L468-L502 HydrophobicContact CD2-CD2 3.94Å; L468-L502 HydrophobicContact CG-CD2 4.16Å; I471-L502 HydrophobicContact CD1-CB 3.8Å; I471-L502 HydrophobicContact CD1-CD1 4.38Å; I471-L502 HydrophobicContact CD1-CD2 4.02Å; I471-L502 HydrophobicContact CD1-CG 4.29Å; G500-L502 PolarHBondContact O-N 3.25Å; L502-G506 VanDerWaalsContact O-CA 3.27Å; L502-G506 WeakPolarHBondContact O-CA 3.42Å; L502-G506 PolarHBondContact O-N 3.49Å |
| 503 | A | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.5 | -45.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T494 G500 Y501 G507 V515 I517 L548 N550 | T494-A503 WeakPolarHBondContact OG1-CB 3.49Å; G500-A503 PolarHBondContact O-N 3.45Å; Y501-A503 PolarHBondContact O-N 3.23Å; A503-G507 VanDerWaalsContact O-CA 3.32Å; A503-G507 WeakPolarHBondContact O-CA 3.28Å; A503-G507 PolarHBondContact O-N 3.49Å; A503-V515 HydrophobicContact CB-CG1 3.64Å; A503-V515 WeakPolarHBondContact O-CG1 3.36Å; A503-I517 HydrophobicContact CB-CG2 3.99Å; A503-L548 WeakPolarHBondContact O-CD2 3.44Å; A503-N550 HydrophobicContact CB-CB 3.95Å |
| 504 | T | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -72.4 | -56.1 | -175.8 | -64.5 | 0 | 0 | 0 | 0 | 111.4 | G500 Y501 G507 L508 W664 R668 M671 | G500-T504 VanDerWaalsContact O-CB 3.3Å; G500-T504 WeakPolarHBondContact O-CB 3.38Å; G500-T504 PolarHBondContact O-N 3.23Å; G500-T504 PolarHBondContact O-OG1 3.39Å; Y501-T504 PolarHBondContact O-N 2.96Å; T504-G507 PolarHBondContact O-N 2.6Å; T504-L508 PolarHBondContact O-N 3.49Å; T504-W664 HydrophobicContact CG2-CE3 3.8Å; T504-W664 HydrophobicContact CG2-CZ3 4.07Å; T504-W664 WeakPolarHBondContact OG1-CZ3 3.29Å; T504-R668 VanDerWaalsContact CG2-CD 3.49Å; T504-R668 HydrophobicContact CG2-CG 4.47Å; T504-R668 PolarHBondContact OG1-NH1 3.34Å; T504-M671 HydrophobicContact CG2-SD 3.62Å; T504-M671 WeakPolarHBondContact O-CE 3.31Å; T504-M671 VanDerWaalsContact O-SD 3.4Å |
| 505 | V | 97 | Very high | 96.7 | Very high | 3 Ų | 3 | 10.9 Ų | 10.9 | 2% | 0.018 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -70.9 | -41 | -175.3 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | I232 L468 Y501 G507 L508 A509 W664 L667 | I232-V505 HydrophobicContact CD1-CG1 3.3Å; I232-V505 HydrophobicContact CG1-CG1 4.14Å; L468-V505 HydrophobicContact CD1-CB 4.43Å; L468-V505 HydrophobicContact CD1-CG1 3.67Å; L468-V505 HydrophobicContact CD2-CB 3.92Å; L468-V505 HydrophobicContact CD2-CG1 3.9Å; L468-V505 HydrophobicContact CG-CG1 4.46Å; Y501-V505 HydrophobicContact CD2-CG2 3.71Å; Y501-V505 HydrophobicContact CE2-CB 4.38Å; Y501-V505 HydrophobicContact CE2-CG2 3.68Å; Y501-V505 HydrophobicContact CG-CG2 4.38Å; Y501-V505 VanDerWaalsContact O-CB 3.3Å; Y501-V505 WeakPolarHBondContact O-CB 3.43Å; Y501-V505 WeakPolarHBondContact O-CG2 3.46Å; Y501-V505 PolarHBondContact O-N 3.39Å; V505-G507 VanDerWaalsContact C-N 3.32Å; V505-G507 PolarHBondContact O-N 3.38Å; V505-L508 PolarHBondContact O-N 3.14Å; V505-A509 WeakPolarHBondContact O-CB 3.32Å; V505-A509 PolarHBondContact O-N 2.83Å; V505-W664 HydrophobicContact CG2-CB 4.06Å; V505-L667 HydrophobicContact CG2-CD1 4.47Å |
| 506 | G | 97.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.7 | -36.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L502 A509 A510 | L502-G506 VanDerWaalsContact O-CA 3.27Å; L502-G506 WeakPolarHBondContact O-CA 3.42Å; L502-G506 PolarHBondContact O-N 3.49Å; G506-A509 PolarHBondContact O-N 3.1Å; G506-A510 WeakPolarHBondContact O-CB 3.24Å; G506-A510 PolarHBondContact O-N 2.92Å |
| 507 | G | 96.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -65.1 | -44.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A503 T504 V505 A510 G511 A512 | A503-G507 VanDerWaalsContact O-CA 3.32Å; A503-G507 WeakPolarHBondContact O-CA 3.28Å; A503-G507 PolarHBondContact O-N 3.49Å; T504-G507 PolarHBondContact O-N 2.6Å; V505-G507 VanDerWaalsContact C-N 3.32Å; V505-G507 PolarHBondContact O-N 3.38Å; G507-A510 PolarHBondContact O-N 3.3Å; G507-G511 PolarHBondContact O-N 3.01Å; G507-A512 WeakPolarHBondContact O-CB 3.12Å; G507-A512 PolarHBondContact O-N 3.42Å |
| 508 | L | 96 | Very high | 96.8 | Very high | 10 Ų | 10 | 12.5 Ų | 12.5 | 5% | 0.052 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -58.7 | -49.3 | 174 | 177.4 | 63 | 0 | 0 | 0 | 110.8 | I232 T504 V505 A510 G511 L667 L670 M671 L674 | I232-L508 HydrophobicContact CG2-CD2 4.22Å; T504-L508 PolarHBondContact O-N 3.49Å; V505-L508 PolarHBondContact O-N 3.14Å; L508-A510 VanDerWaalsContact C-N 3.32Å; L508-A510 PolarHBondContact O-N 3.23Å; L508-G511 PolarHBondContact O-N 3.36Å; L508-L667 HydrophobicContact CD2-CB 4.5Å; L508-L667 HydrophobicContact CD2-CD1 4.17Å; L508-L670 HydrophobicContact CD1-CD2 3.9Å; L508-L670 HydrophobicContact CD1-CG 4.44Å; L508-L670 HydrophobicContact CD2-CD2 3.92Å; L508-M671 HydrophobicContact CB-CE 4.34Å; L508-M671 HydrophobicContact CB-CG 3.98Å; L508-M671 HydrophobicContact CB-SD 4.14Å; L508-M671 HydrophobicContact CD1-CG 3.86Å; L508-M671 HydrophobicContact CG-CG 4.41Å; L508-L674 HydrophobicContact CD1-CD1 3.78Å |
| 509 | A | 96.2 | Very high | 96.7 | Very high | 8 Ų | 8 | 11.3 Ų | 11.3 | 7% | 0.066 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64 | -34.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | R231 I232 V472 V505 G506 | R231-A509 HydrophobicContact CB-CB 4.22Å; R231-A509 WeakPolarHBondContact CD-O 3.45Å; I232-A509 HydrophobicContact CD1-CB 4.17Å; I232-A509 HydrophobicContact CG1-CB 3.77Å; V472-A509 HydrophobicContact CG2-CB 3.43Å; V472-A509 VanDerWaalsContact CG2-CB 3.43Å; V505-A509 WeakPolarHBondContact O-CB 3.32Å; V505-A509 PolarHBondContact O-N 2.83Å; G506-A509 PolarHBondContact O-N 3.1Å |
| 510 | A | 95.7 | Very high | 96.5 | Very high | 4 Ų | 4 | 14.1 Ų | 14.1 | 3% | 0.033 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -81 | -15.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | C475 K479 G506 G507 L508 L546 | C475-A510 HydrophobicContact CB-CB 3.66Å; K479-A510 PolarHBondContact NZ-O 2.96Å; G506-A510 WeakPolarHBondContact O-CB 3.24Å; G506-A510 PolarHBondContact O-N 2.92Å; G507-A510 PolarHBondContact O-N 3.3Å; L508-A510 VanDerWaalsContact C-N 3.32Å; L508-A510 PolarHBondContact O-N 3.23Å; A510-L546 HydrophobicContact CB-CD2 3.84Å |
| 511 | G | 94 | Very high | 96.2 | Very high | 45 Ų | 45 | 19.6 Ų | 19.6 | 46% | 0.464 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 49.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G507 L508 | G507-G511 PolarHBondContact O-N 3.01Å; L508-G511 PolarHBondContact O-N 3.36Å |
| 512 | A | 95.8 | Very high | 96 | Very high | 7 Ų | 7 | 20.6 Ų | 20.6 | 6% | 0.058 | 12% | 0.12 | C | C | . | . | trans | -66.9 | 143.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G507 V515 L546 L548 | G507-A512 WeakPolarHBondContact O-CB 3.12Å; G507-A512 PolarHBondContact O-N 3.42Å; A512-V515 HydrophobicContact CB-CG2 3.91Å; A512-L546 HydrophobicContact CB-CD2 4.36Å; A512-L548 HydrophobicContact CB-CD1 3.78Å | ||
| 513 | D | 95.1 | Very high | 95.9 | Very high | 8 Ų | 8 | 22.9 Ų | 22.9 | 4% | 0.043 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -76.2 | -36.8 | 176.3 | -70.3 | -71.5 | 0 | 0 | 0 | 111.8 | L534 K537 G545 L546 Y677 | D513-L534 HydrophobicContact CB-CD2 3.72Å; D513-K537 WeakPolarHBondContact OD1-CD 3.31Å; D513-K537 WeakPolarHBondContact OD1-CE 3.23Å; D513-K537 IonicContact OD1-NZ 3.24Å; D513-K537 PolarHBondContact OD1-NZ 3.3Å; D513-K537 IonicContact OD2-NZ 2.99Å; D513-K537 PolarHBondContact OD2-NZ 2.86Å; D513-G545 VanDerWaalsContact OD2-CA 3.25Å; D513-G545 WeakPolarHBondContact OD2-CA 3.5Å; D513-L546 WeakPolarHBondContact CB-O 3.34Å; D513-L546 PolarHBondContact N-O 3.41Å; D513-L546 PolarHBondContact OD2-N 3.15Å; D513-Y677 WeakPolarHBondContact O-CE2 3.22Å; D513-Y677 PolarHBondContact O-OH 2.93Å |
| 514 | T | 95.3 | Very high | 95.7 | Very high | 19 Ų | 19 | 26.1 Ų | 26.1 | 12% | 0.117 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 156.8 | 174.8 | -162.7 | 0 | 0 | 0 | 0 | 109.9 | Y516 N530 V547 L548 | T514-Y516 HydrophobicContact CG2-CE2 3.92Å; T514-N530 WeakPolarHBondContact CB-OD1 3.42Å; T514-N530 HydrophobicContact CG2-CB 4.2Å; T514-N530 PolarHBondContact OG1-OD1 3.29Å; T514-V547 HydrophobicContact CG2-CB 4.22Å; T514-V547 HydrophobicContact CG2-CG1 3.66Å; T514-V547 HydrophobicContact CG2-CG2 3.92Å; T514-V547 WeakPolarHBondContact O-CA 3.17Å; T514-L548 PolarHBondContact O-N 2.94Å |
| 515 | V | 97.1 | Very high | 95.6 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 3% | 0.03 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 124.9 | -177.8 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | A503 A512 I517 L548 R668 M671 | A503-V515 HydrophobicContact CB-CG1 3.64Å; A503-V515 WeakPolarHBondContact O-CG1 3.36Å; A512-V515 HydrophobicContact CB-CG2 3.91Å; V515-I517 HydrophobicContact CG1-CG2 3.91Å; V515-L548 CarbonylContact C-O 3.57Å; V515-L548 VanDerWaalsContact CA-O 3.22Å; V515-L548 WeakPolarHBondContact CA-O 3.33Å; V515-L548 HydrophobicContact CG1-CB 4.21Å; V515-L548 HydrophobicContact CG2-CB 4.03Å; V515-R668 PolarHBondContact O-NH1 3.41Å; V515-R668 PolarHBondContact O-NH2 3.37Å; V515-M671 HydrophobicContact CB-CE 4.15Å; V515-M671 HydrophobicContact CG2-CE 3.35Å |
| 516 | Y | 97.9 | Very high | 95.4 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 2% | 0.024 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 127 | 176.3 | -58.5 | -63.7 | 0 | 0 | 0 | 111.1 | T514 F522 L527 N530 V547 L548 N550 I562 Y566 | T514-Y516 HydrophobicContact CG2-CE2 3.92Å; Y516-F522 AromaticContact CD1-CD1 3.94Å; Y516-F522 HydrophobicContact CD1-CD1 3.94Å; Y516-F522 AromaticContact CD1-CD2 3.71Å; Y516-F522 HydrophobicContact CD1-CD2 3.71Å; Y516-F522 AromaticContact CD1-CE1 3.99Å; Y516-F522 HydrophobicContact CD1-CE1 3.99Å; Y516-F522 AromaticContact CD1-CE2 3.73Å; Y516-F522 HydrophobicContact CD1-CE2 3.73Å; Y516-F522 AromaticContact CD1-CG 3.81Å; Y516-F522 HydrophobicContact CD1-CG 3.81Å; Y516-F522 AromaticContact CD1-CZ 3.88Å; Y516-F522 HydrophobicContact CD1-CZ 3.88Å; Y516-F522 AromaticContact CE1-CD2 3.98Å; Y516-F522 HydrophobicContact CE1-CD2 3.98Å; Y516-F522 HydrophobicContact CE1-CE2 4.23Å; Y516-F522 HydrophobicContact CE1-CG 4.3Å; Y516-F522 HydrophobicContact CG-CE1 4.25Å; Y516-F522 HydrophobicContact CG-CE2 4.15Å; Y516-F522 AromaticContact CG-CZ 3.99Å; Y516-F522 HydrophobicContact CG-CZ 3.99Å; Y516-L527 HydrophobicContact CD1-CD2 4.33Å; Y516-L527 HydrophobicContact CE1-CD2 3.58Å; Y516-L527 HydrophobicContact CE2-CD2 3.93Å; Y516-L527 WeakPolarHBondContact OH-CD2 3.45Å; Y516-N530 WeakPolarHBondContact OH-CB 3.5Å; Y516-N530 PolarHBondContact OH-ND2 3.12Å; Y516-V547 HydrophobicContact CD2-CG1 3.93Å; Y516-V547 HydrophobicContact CE2-CG1 3.56Å; Y516-L548 PolarHBondContact N-O 2.92Å; Y516-N550 PolarHBondContact O-N 2.97Å; Y516-I562 HydrophobicContact CD2-CD1 3.87Å; Y516-I562 HydrophobicContact CE2-CD1 4.19Å; Y516-I562 HydrophobicContact CE2-CG2 4.42Å; Y516-I562 HydrophobicContact CG-CD1 4.43Å; Y516-Y566 PolarHBondContact OH-OH 2.9Å |
| 517 | I | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -136.8 | 164.2 | -178.3 | 63.5 | 175 | 0 | 0 | 0 | 110.2 | A503 V515 E519 E520 N550 C553 W664 L665 | A503-I517 HydrophobicContact CB-CG2 3.99Å; V515-I517 HydrophobicContact CG1-CG2 3.91Å; I517-E519 WeakPolarHBondContact CB-OE2 3.37Å; I517-E519 HydrophobicContact CD1-CB 4.11Å; I517-E520 HydrophobicContact CD1-CB 4.11Å; I517-E520 HydrophobicContact CG1-CB 3.85Å; I517-N550 HydrophobicContact CG2-CB 4.41Å; I517-C553 VanDerWaalsContact C-CB 3.44Å; I517-W664 HydrophobicContact CD1-CH2 4.09Å; I517-W664 HydrophobicContact CD1-CZ3 3.84Å; I517-L665 HydrophobicContact CD1-CD2 3.93Å | ||
| 518 | Y | 96.9 | Very high | 95.2 | Very high | 79 Ų | 79 | 41.7 Ų | 41.7 | 31% | 0.31 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -71.9 | -36.5 | 178.8 | 174.1 | -108.8 | 0 | 0 | 0 | 111.5 | Y498 E520 H656 I658 | Y498-Y518 HydrophobicContact CD1-CD1 4.04Å; Y498-Y518 AromaticContact CD1-CD2 3.62Å; Y498-Y518 HydrophobicContact CD1-CD2 3.62Å; Y498-Y518 HydrophobicContact CD1-CE1 4.25Å; Y498-Y518 AromaticContact CD1-CE2 3.87Å; Y498-Y518 HydrophobicContact CD1-CE2 3.87Å; Y498-Y518 AromaticContact CD1-CG 3.72Å; Y498-Y518 HydrophobicContact CD1-CG 3.72Å; Y498-Y518 HydrophobicContact CE1-CD2 4.18Å; Y498-Y518 HydrophobicContact CE1-CE2 4.17Å; Y498-Y518 HydrophobicContact CG-CD1 4.44Å; Y498-Y518 HydrophobicContact CG-CG 4.45Å; Y498-Y518 WeakPolarHBondContact O-CB 3.45Å; Y518-E520 VanDerWaalsContact C-N 3.26Å; Y518-E520 PolarHBondContact O-N 2.99Å; Y518-H656 HydrophobicContact CE1-CB 4.31Å; Y518-H656 AromaticContact CE1-CG 3.98Å; Y518-H656 AromaticContact CZ-CD2 3.76Å; Y518-H656 AromaticContact CZ-CG 3.98Å; Y518-H656 AromaticContact CZ-NE2 3.91Å; Y518-H656 PolarHBondContact OH-CD2 3.44Å; Y518-H656 PolarHBondContact OH-CE1 2.95Å; Y518-H656 PolarHBondContact OH-ND1 2.9Å; Y518-H656 PolarHBondContact OH-NE2 2.78Å; Y518-H656 VanDerWaalsContact OH-NE2 3.09Å; Y518-I658 HydrophobicContact CD1-CD1 4.12Å; Y518-I658 HydrophobicContact CE1-CD1 4.13Å |
| 519 | E | 95.3 | Very high | 95 | Very high | 40 Ų | 40 | 43.5 Ų | 43.5 | 19% | 0.187 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -71.5 | -17.7 | -174 | -57.6 | 95.3 | 147.7 | 0 | 0 | 114.1 | C499 G500 I517 Q662 W664 L665 | C499-E519 WeakPolarHBondContact CA-OE1 3.27Å; G500-E519 WeakPolarHBondContact CA-OE2 3.1Å; G500-E519 VanDerWaalsContact N-CD 3.34Å; G500-E519 PolarHBondContact N-OE1 2.91Å; G500-E519 PolarHBondContact N-OE2 3.02Å; G500-E519 VanDerWaalsContact N-OE2 3.12Å; I517-E519 WeakPolarHBondContact CB-OE2 3.37Å; I517-E519 HydrophobicContact CD1-CB 4.11Å; E519-Q662 PolarHBondContact OE1-NE2 3.32Å; E519-Q662 PolarHBondContact OE1-OE1 3.25Å; E519-W664 HydrophobicContact CG-CH2 4.38Å; E519-W664 VanDerWaalsContact OE1-CH2 3.23Å; E519-W664 WeakPolarHBondContact OE1-CH2 3.36Å; E519-W664 VanDerWaalsContact OE1-CZ2 3.25Å; E519-W664 WeakPolarHBondContact OE1-CZ2 3.29Å; E519-L665 HydrophobicContact CB-CD1 4.41Å; E519-L665 HydrophobicContact CB-CD2 3.85Å |
| 520 | E | 93.2 | Very high | 94.9 | Very high | 59 Ų | 59 | 43.9 Ų | 43.9 | 28% | 0.276 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -119.1 | 90.8 | 175.1 | -172.8 | -179.3 | 159 | 0 | 0 | 108.1 | I517 Y518 R668 K672 | I517-E520 HydrophobicContact CD1-CB 4.11Å; I517-E520 HydrophobicContact CG1-CB 3.85Å; Y518-E520 VanDerWaalsContact C-N 3.26Å; Y518-E520 PolarHBondContact O-N 2.99Å; E520-R668 IonicContact OE2-CZ 3.68Å; E520-R668 VanDerWaalsContact OE2-CZ 3.23Å; E520-R668 IonicContact OE2-NE 2.76Å; E520-R668 PolarHBondContact OE2-NE 2.91Å; E520-R668 IonicContact OE2-NH2 3.52Å; E520-R668 PolarHBondContact OE2-NH2 2.96Å; E520-K672 IonicContact OE1-NZ 3.67Å; E520-K672 PolarHBondContact OE1-NZ 3.21Å |
| 521 | P | 92.2 | Very high | 94.9 | Very high | 115 Ų | 115 | 43.9 Ų | 43.9 | 75% | 0.747 | 23% | 0.234 | S | C | * | . | trans | -56.7 | 140.2 | 178.1 | -24.6 | 33.9 | 0 | 0 | 0 | 111.2 | ||||
| 522 | F | 94.4 | Very high | 94.9 | Very high | 24 Ų | 24 | 47.9 Ų | 47.9 | 11% | 0.105 | 24% | 0.241 | C | C | . | . | trans | -137.6 | 152.7 | -179.1 | 63.2 | -81.9 | 0 | 0 | 0 | 110.3 | Y516 D526 L527 C553 N554 F557 | Y516-F522 AromaticContact CD1-CD1 3.94Å; Y516-F522 HydrophobicContact CD1-CD1 3.94Å; Y516-F522 AromaticContact CD1-CD2 3.71Å; Y516-F522 HydrophobicContact CD1-CD2 3.71Å; Y516-F522 AromaticContact CD1-CE1 3.99Å; Y516-F522 HydrophobicContact CD1-CE1 3.99Å; Y516-F522 AromaticContact CD1-CE2 3.73Å; Y516-F522 HydrophobicContact CD1-CE2 3.73Å; Y516-F522 AromaticContact CD1-CG 3.81Å; Y516-F522 HydrophobicContact CD1-CG 3.81Å; Y516-F522 AromaticContact CD1-CZ 3.88Å; Y516-F522 HydrophobicContact CD1-CZ 3.88Å; Y516-F522 AromaticContact CE1-CD2 3.98Å; Y516-F522 HydrophobicContact CE1-CD2 3.98Å; Y516-F522 HydrophobicContact CE1-CE2 4.23Å; Y516-F522 HydrophobicContact CE1-CG 4.3Å; Y516-F522 HydrophobicContact CG-CE1 4.25Å; Y516-F522 HydrophobicContact CG-CE2 4.15Å; Y516-F522 AromaticContact CG-CZ 3.99Å; Y516-F522 HydrophobicContact CG-CZ 3.99Å; F522-D526 WeakPolarHBondContact CA-OD2 3Å; F522-D526 HydrophobicContact CB-CB 4.08Å; F522-L527 HydrophobicContact CD2-CD2 3.93Å; F522-L527 HydrophobicContact CD2-CG 4.23Å; F522-L527 HydrophobicContact CE2-CD2 3.88Å; F522-L527 HydrophobicContact CE2-CG 4.38Å; F522-C553 HydrophobicContact CE1-CB 4.18Å; F522-N554 HydrophobicContact CE1-CB 4.26Å; F522-N554 HydrophobicContact CZ-CB 4.04Å; F522-F557 AromaticContact CD2-CD2 3.92Å; F522-F557 HydrophobicContact CD2-CD2 3.92Å; F522-F557 HydrophobicContact CD2-CE2 4.41Å; F522-F557 HydrophobicContact CE2-CB 3.9Å; F522-F557 AromaticContact CE2-CD2 3.41Å; F522-F557 HydrophobicContact CE2-CD2 3.41Å; F522-F557 VanDerWaalsContact CE2-CD2 3.41Å; F522-F557 HydrophobicContact CE2-CE2 4.32Å; F522-F557 HydrophobicContact CE2-CG 4.07Å; F522-F557 HydrophobicContact CZ-CB 4.05Å; F522-F557 AromaticContact CZ-CD2 3.98Å; F522-F557 HydrophobicContact CZ-CD2 3.98Å | ||
| 523 | D | 94.8 | Very high | 94.8 | Very high | 49 Ų | 49 | 49.2 Ų | 49.2 | 26% | 0.262 | 25% | 0.245 | S | C | . | . | trans | -120.9 | -175.2 | 178.4 | 75.7 | 26.4 | 0 | 0 | 0 | 112.7 | R525 D526 L527 | D523-R525 PolarHBondContact O-N 3.35Å; D523-R525 WeakPolarHBondContact OD1-CA 3.21Å; D523-R525 WeakPolarHBondContact OD1-CB 3.44Å; D523-R525 PolarHBondContact OD1-N 2.9Å; D523-R525 IonicContact OD1-NE 3.92Å; D523-R525 IonicContact OD2-CZ 3.25Å; D523-R525 VanDerWaalsContact OD2-CZ 3.24Å; D523-R525 IonicContact OD2-NE 4Å; D523-R525 PolarHBondContact OD2-NE 2.91Å; D523-R525 IonicContact OD2-NH2 2.95Å; D523-R525 PolarHBondContact OD2-NH2 3.42Å; D523-D526 PolarHBondContact N-OD2 2.82Å; D523-D526 WeakPolarHBondContact O-CB 3.36Å; D523-D526 PolarHBondContact O-N 3.33Å; D523-D526 PolarHBondContact OD1-N 2.82Å; D523-L527 PolarHBondContact O-N 2.86Å | ||
| 524 | I | 94.6 | Very high | 94.8 | Very high | 68 Ų | 68 | 48.8 Ų | 48.8 | 35% | 0.349 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.3 | -29 | -178.9 | -165.9 | 60.2 | 0 | 0 | 0 | 112.9 | L527 Q528 F561 L565 | I524-L527 HydrophobicContact CD1-CB 4.5Å; I524-L527 HydrophobicContact CD1-CD1 4.1Å; I524-L527 PolarHBondContact O-N 3.33Å; I524-Q528 WeakPolarHBondContact O-CG 3.28Å; I524-Q528 PolarHBondContact O-N 3.5Å; I524-F561 HydrophobicContact CD1-CE1 4.39Å; I524-F561 HydrophobicContact CD1-CZ 4.23Å; I524-L565 HydrophobicContact CD1-CD1 4.33Å; I524-L565 HydrophobicContact CD1-CD2 3.75Å |
| 525 | R | 94.3 | Very high | 94.7 | Very high | 174 Ų | 174 | 49 Ų | 49 | 66% | 0.657 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -70.4 | -38.1 | 178.3 | -58.2 | 173.7 | -77.3 | -172.5 | -5.4 | 110.1 | D523 Q528 A529 | D523-R525 PolarHBondContact O-N 3.35Å; D523-R525 WeakPolarHBondContact OD1-CA 3.21Å; D523-R525 WeakPolarHBondContact OD1-CB 3.44Å; D523-R525 PolarHBondContact OD1-N 2.9Å; D523-R525 IonicContact OD1-NE 3.92Å; D523-R525 IonicContact OD2-CZ 3.25Å; D523-R525 VanDerWaalsContact OD2-CZ 3.24Å; D523-R525 IonicContact OD2-NE 4Å; D523-R525 PolarHBondContact OD2-NE 2.91Å; D523-R525 IonicContact OD2-NH2 2.95Å; D523-R525 PolarHBondContact OD2-NH2 3.42Å; R525-Q528 PolarHBondContact O-N 2.95Å; R525-A529 WeakPolarHBondContact O-CB 3.2Å; R525-A529 PolarHBondContact O-N 2.81Å |
| 526 | D | 93.2 | Very high | 94.4 | Very high | 71 Ų | 71 | 54 Ų | 54 | 38% | 0.38 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62 | -45 | 172.8 | -61.9 | -55.5 | 0 | 0 | 0 | 110.8 | F522 D523 Q528 A529 N530 | F522-D526 WeakPolarHBondContact CA-OD2 3Å; F522-D526 HydrophobicContact CB-CB 4.08Å; D523-D526 PolarHBondContact N-OD2 2.82Å; D523-D526 WeakPolarHBondContact O-CB 3.36Å; D523-D526 PolarHBondContact O-N 3.33Å; D523-D526 PolarHBondContact OD1-N 2.82Å; D526-Q528 PolarHBondContact O-N 3.43Å; D526-A529 PolarHBondContact O-N 3.49Å; D526-N530 PolarHBondContact O-N 3.02Å; D526-N530 PolarHBondContact O-ND2 3.01Å |
| 527 | L | 95.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 176.3 | -63.3 | -179.6 | 0 | 0 | 0 | 111.5 | Y516 F522 D523 I524 A529 N530 V531 F557 F561 I562 L565 | Y516-L527 HydrophobicContact CD1-CD2 4.33Å; Y516-L527 HydrophobicContact CE1-CD2 3.58Å; Y516-L527 HydrophobicContact CE2-CD2 3.93Å; Y516-L527 WeakPolarHBondContact OH-CD2 3.45Å; F522-L527 HydrophobicContact CD2-CD2 3.93Å; F522-L527 HydrophobicContact CD2-CG 4.23Å; F522-L527 HydrophobicContact CE2-CD2 3.88Å; F522-L527 HydrophobicContact CE2-CG 4.38Å; D523-L527 PolarHBondContact O-N 2.86Å; I524-L527 HydrophobicContact CD1-CB 4.5Å; I524-L527 HydrophobicContact CD1-CD1 4.1Å; I524-L527 PolarHBondContact O-N 3.33Å; L527-A529 PolarHBondContact O-N 3Å; L527-N530 PolarHBondContact O-N 2.78Å; L527-V531 WeakPolarHBondContact O-CG2 3.18Å; L527-V531 PolarHBondContact O-N 2.74Å; L527-F557 HydrophobicContact CD1-CG 4.42Å; L527-F561 HydrophobicContact CD1-CE1 3.94Å; L527-I562 HydrophobicContact CD2-CD1 4.42Å; L527-I562 HydrophobicContact CD2-CG1 4.41Å; L527-L565 HydrophobicContact CB-CD2 3.62Å; L527-L565 HydrophobicContact CD1-CD2 3.65Å; L527-L565 HydrophobicContact CG-CD2 4.24Å |
| 528 | Q | 94.1 | Very high | 93.8 | Very high | 84 Ų | 84 | 55.5 Ų | 55.5 | 39% | 0.393 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 176.1 | -75 | 175 | -31 | 0 | 0 | 111.8 | I524 R525 D526 N530 V531 E532 | I524-Q528 WeakPolarHBondContact O-CG 3.28Å; I524-Q528 PolarHBondContact O-N 3.5Å; R525-Q528 PolarHBondContact O-N 2.95Å; D526-Q528 PolarHBondContact O-N 3.43Å; Q528-N530 VanDerWaalsContact C-N 3.28Å; Q528-N530 PolarHBondContact O-N 3.41Å; Q528-V531 PolarHBondContact O-N 2.89Å; Q528-V531 VanDerWaalsContact O-N 3.1Å; Q528-E532 WeakPolarHBondContact O-CG 3.48Å; Q528-E532 PolarHBondContact O-N 2.89Å |
| 529 | A | 92.9 | Very high | 93.5 | Very high | 49 Ų | 49 | 58.3 Ų | 58.3 | 41% | 0.405 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.8 | -38.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R525 D526 L527 E532 H533 | R525-A529 WeakPolarHBondContact O-CB 3.2Å; R525-A529 PolarHBondContact O-N 2.81Å; D526-A529 PolarHBondContact O-N 3.49Å; L527-A529 PolarHBondContact O-N 3Å; A529-E532 PolarHBondContact O-N 3.11Å; A529-H533 WeakPolarHBondContact O-CB 3.48Å; A529-H533 PolarHBondContact O-N 3.31Å |
| 530 | N | 94.5 | Very high | 93.1 | Very high | 15 Ų | 15 | 59.8 Ų | 59.8 | 8% | 0.08 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.9 | -37.4 | 175.9 | -71.4 | -63.3 | 0 | 0 | 0 | 112.1 | T514 Y516 D526 L527 Q528 H533 L534 Y566 Y677 | T514-N530 WeakPolarHBondContact CB-OD1 3.42Å; T514-N530 HydrophobicContact CG2-CB 4.2Å; T514-N530 PolarHBondContact OG1-OD1 3.29Å; Y516-N530 WeakPolarHBondContact OH-CB 3.5Å; Y516-N530 PolarHBondContact OH-ND2 3.12Å; D526-N530 PolarHBondContact O-N 3.02Å; D526-N530 PolarHBondContact O-ND2 3.01Å; L527-N530 PolarHBondContact O-N 2.78Å; Q528-N530 VanDerWaalsContact C-N 3.28Å; Q528-N530 PolarHBondContact O-N 3.41Å; N530-H533 PolarHBondContact O-N 2.89Å; N530-L534 WeakPolarHBondContact O-CG 3.28Å; N530-L534 PolarHBondContact O-N 3.16Å; N530-Y566 WeakPolarHBondContact CB-OH 3.33Å; N530-Y677 WeakPolarHBondContact OD1-CE1 3.45Å; N530-Y677 PolarHBondContact OD1-OH 2.65Å |
| 531 | V | 95.6 | Very high | 92.8 | Very high | 5 Ų | 5 | 62.7 Ų | 62.7 | 3% | 0.03 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 173.2 | 172.9 | 0 | 0 | 0 | 0 | 111 | L527 Q528 H533 L534 T535 Y566 E569 F574 | L527-V531 WeakPolarHBondContact O-CG2 3.18Å; L527-V531 PolarHBondContact O-N 2.74Å; Q528-V531 PolarHBondContact O-N 2.89Å; Q528-V531 VanDerWaalsContact O-N 3.1Å; V531-H533 VanDerWaalsContact C-N 3.34Å; V531-H533 PolarHBondContact O-N 3.48Å; V531-L534 PolarHBondContact O-N 3.12Å; V531-T535 WeakPolarHBondContact O-CB 3.48Å; V531-T535 PolarHBondContact O-N 3.48Å; V531-T535 PolarHBondContact O-OG1 3.15Å; V531-Y566 HydrophobicContact CG2-CD1 3.91Å; V531-Y566 HydrophobicContact CG2-CD2 3.48Å; V531-Y566 VanDerWaalsContact CG2-CD2 3.48Å; V531-Y566 HydrophobicContact CG2-CE1 3.9Å; V531-Y566 HydrophobicContact CG2-CE2 3.44Å; V531-Y566 VanDerWaalsContact CG2-CE2 3.44Å; V531-Y566 HydrophobicContact CG2-CG 3.71Å; V531-E569 HydrophobicContact CG1-CB 3.74Å; V531-F574 HydrophobicContact CG1-CE1 4.49Å; V531-F574 HydrophobicContact CG1-CZ 4.15Å |
| 532 | E | 94 | Very high | 92.4 | Very high | 129 Ų | 129 | 61 Ų | 61 | 60% | 0.603 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.4 | -44.5 | 175.8 | -72.9 | 179.8 | -173.6 | 0 | 0 | 111.4 | Q528 A529 L534 T535 Q536 | Q528-E532 WeakPolarHBondContact O-CG 3.48Å; Q528-E532 PolarHBondContact O-N 2.89Å; A529-E532 PolarHBondContact O-N 3.11Å; E532-L534 PolarHBondContact O-N 3.03Å; E532-T535 WeakPolarHBondContact O-CB 3.47Å; E532-T535 PolarHBondContact O-N 3.22Å; E532-Q536 WeakPolarHBondContact O-CG 3.28Å; E532-Q536 PolarHBondContact O-N 3.09Å |
| 533 | H | 93.4 | Very high | 92.1 | Very high | 34 Ų | 34 | 62.5 Ų | 62.5 | 16% | 0.157 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.5 | -50.4 | 175.6 | 175.4 | 83.6 | 0 | 0 | 0 | 111.5 | A529 N530 V531 T535 Q536 K537 A675 Y677 | A529-H533 WeakPolarHBondContact O-CB 3.48Å; A529-H533 PolarHBondContact O-N 3.31Å; N530-H533 PolarHBondContact O-N 2.89Å; V531-H533 VanDerWaalsContact C-N 3.34Å; V531-H533 PolarHBondContact O-N 3.48Å; H533-T535 VanDerWaalsContact C-N 3.32Å; H533-T535 PolarHBondContact O-N 3.42Å; H533-Q536 PolarHBondContact O-N 2.77Å; H533-K537 WeakPolarHBondContact O-CB 3.33Å; H533-K537 PolarHBondContact O-N 3.37Å; H533-A675 PolarHBondContact CE1-O 3.07Å; H533-A675 PolarHBondContact NE2-O 3.28Å; H533-A675 VanDerWaalsContact NE2-O 3.14Å; H533-Y677 HydrophobicContact CB-CE1 3.79Å; H533-Y677 AromaticContact CD2-CE2 3.57Å; H533-Y677 AromaticContact CD2-CZ 3.4Å; H533-Y677 VanDerWaalsContact CD2-CZ 3.4Å; H533-Y677 PolarHBondContact CD2-OH 3.11Å; H533-Y677 VanDerWaalsContact CD2-OH 3.28Å; H533-Y677 AromaticContact CE1-CD2 3.87Å; H533-Y677 AromaticContact CE1-CE2 3.73Å; H533-Y677 AromaticContact CG-CE1 3.66Å; H533-Y677 AromaticContact CG-CE2 3.85Å; H533-Y677 AromaticContact CG-CZ 3.43Å; H533-Y677 VanDerWaalsContact CG-CZ 3.43Å; H533-Y677 AromaticContact ND1-CE1 3.97Å; H533-Y677 AromaticContact ND1-CE2 3.95Å; H533-Y677 AromaticContact ND1-CZ 3.89Å; H533-Y677 AromaticContact NE2-CE2 3.54Å; H533-Y677 AromaticContact NE2-CZ 3.89Å |
| 534 | L | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 176.9 | -74.3 | 171.1 | 0 | 0 | 0 | 112.1 | V489 D513 N530 V531 E532 Q536 K537 M538 V547 Y566 F574 | V489-L534 HydrophobicContact CG1-CD1 3.91Å; V489-L534 HydrophobicContact CG2-CD1 4.11Å; D513-L534 HydrophobicContact CB-CD2 3.72Å; N530-L534 WeakPolarHBondContact O-CG 3.28Å; N530-L534 PolarHBondContact O-N 3.16Å; V531-L534 PolarHBondContact O-N 3.12Å; E532-L534 PolarHBondContact O-N 3.03Å; L534-Q536 VanDerWaalsContact C-N 3.33Å; L534-Q536 PolarHBondContact O-N 3.05Å; L534-K537 HydrophobicContact CD2-CD 4.35Å; L534-K537 WeakPolarHBondContact O-CB 3.21Å; L534-K537 PolarHBondContact O-N 3.13Å; L534-K537 VanDerWaalsContact O-N 3.15Å; L534-M538 VanDerWaalsContact O-CG 3.3Å; L534-M538 WeakPolarHBondContact O-CG 3.26Å; L534-M538 PolarHBondContact O-N 3.4Å; L534-V547 HydrophobicContact CD1-CG2 4.07Å; L534-Y566 HydrophobicContact CD1-CD1 4.17Å; L534-Y566 HydrophobicContact CD1-CE1 3.59Å; L534-F574 HydrophobicContact CB-CE1 4.17Å |
| 535 | T | 93.4 | Very high | 92 | Very high | 24 Ų | 24 | 60.1 Ų | 60.1 | 15% | 0.147 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.5 | -43.5 | 175.8 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | V531 E532 H533 V573 | V531-T535 WeakPolarHBondContact O-CB 3.48Å; V531-T535 PolarHBondContact O-N 3.48Å; V531-T535 PolarHBondContact O-OG1 3.15Å; E532-T535 WeakPolarHBondContact O-CB 3.47Å; E532-T535 PolarHBondContact O-N 3.22Å; H533-T535 VanDerWaalsContact C-N 3.32Å; H533-T535 PolarHBondContact O-N 3.42Å; T535-V573 HydrophobicContact CG2-CB 4.36Å; T535-V573 HydrophobicContact CG2-CG1 3.98Å; T535-V573 HydrophobicContact CG2-CG2 4.09Å |
| 536 | Q | 91.3 | Very high | 92.1 | Very high | 110 Ų | 110 | 52 Ų | 52 | 51% | 0.514 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69 | -40.8 | 174.2 | -61 | -55 | -26.7 | 0 | 0 | 111.7 | E532 H533 L534 M538 K539 | E532-Q536 WeakPolarHBondContact O-CG 3.28Å; E532-Q536 PolarHBondContact O-N 3.09Å; H533-Q536 PolarHBondContact O-N 2.77Å; L534-Q536 VanDerWaalsContact C-N 3.33Å; L534-Q536 PolarHBondContact O-N 3.05Å; Q536-M538 VanDerWaalsContact C-N 3.28Å; Q536-M538 PolarHBondContact O-N 3.45Å; Q536-K539 WeakPolarHBondContact O-CB 3.42Å; Q536-K539 PolarHBondContact O-N 3.19Å; Q536-K539 VanDerWaalsContact O-N 3.07Å |
| 537 | K | 91.6 | Very high | 92.4 | Very high | 35 Ų | 35 | 48.6 Ų | 48.6 | 15% | 0.152 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.1 | -40.7 | 176.7 | -175.6 | -177.4 | 174.1 | -175.8 | 0 | 111.9 | D513 H533 L534 K539 T540 R544 | D513-K537 WeakPolarHBondContact OD1-CD 3.31Å; D513-K537 WeakPolarHBondContact OD1-CE 3.23Å; D513-K537 IonicContact OD1-NZ 3.24Å; D513-K537 PolarHBondContact OD1-NZ 3.3Å; D513-K537 IonicContact OD2-NZ 2.99Å; D513-K537 PolarHBondContact OD2-NZ 2.86Å; H533-K537 WeakPolarHBondContact O-CB 3.33Å; H533-K537 PolarHBondContact O-N 3.37Å; L534-K537 HydrophobicContact CD2-CD 4.35Å; L534-K537 WeakPolarHBondContact O-CB 3.21Å; L534-K537 PolarHBondContact O-N 3.13Å; L534-K537 VanDerWaalsContact O-N 3.15Å; K537-K539 PolarHBondContact O-N 2.91Å; K537-K539 VanDerWaalsContact O-N 3.1Å; K537-T540 WeakPolarHBondContact O-CB 3.49Å; K537-T540 PolarHBondContact O-N 2.87Å; K537-T540 PolarHBondContact O-OG1 3.49Å; K537-R544 VanDerWaalsContact CE-O 3.24Å; K537-R544 WeakPolarHBondContact CE-O 3.36Å; K537-R544 PolarHBondContact NZ-O 3.08Å; K537-R544 VanDerWaalsContact NZ-O 3.09Å |
| 538 | M | 91.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -18.1 | 178.3 | -67 | -52.3 | 177 | 0 | 0 | 114.6 | V489 L534 Q536 T540 Q543 V573 F574 | V489-M538 HydrophobicContact CG2-CE 3.39Å; L534-M538 VanDerWaalsContact O-CG 3.3Å; L534-M538 WeakPolarHBondContact O-CG 3.26Å; L534-M538 PolarHBondContact O-N 3.4Å; Q536-M538 VanDerWaalsContact C-N 3.28Å; Q536-M538 PolarHBondContact O-N 3.45Å; M538-T540 VanDerWaalsContact C-N 3.3Å; M538-Q543 HydrophobicContact SD-CB 4.38Å; M538-V573 HydrophobicContact CB-CG1 3.95Å; M538-V573 HydrophobicContact CG-CG1 4.34Å; M538-F574 HydrophobicContact CE-CB 3.85Å; M538-F574 HydrophobicContact CE-CD1 4.25Å; M538-F574 HydrophobicContact CE-CG 4.11Å; M538-F574 HydrophobicContact CG-CB 4.08Å; M538-F574 HydrophobicContact CG-CD1 3.96Å; M538-F574 HydrophobicContact CG-CG 4.43Å; M538-F574 HydrophobicContact SD-CB 4.45Å |
| 539 | K | 89.3 | Confident | 92.7 | Very high | 138 Ų | 138 | 45 Ų | 45 | 60% | 0.6 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -12 | 174.8 | -58.2 | 175.1 | -172.6 | 168.5 | 0 | 112.8 | Q536 K537 | Q536-K539 WeakPolarHBondContact O-CB 3.42Å; Q536-K539 PolarHBondContact O-N 3.19Å; Q536-K539 VanDerWaalsContact O-N 3.07Å; K537-K539 PolarHBondContact O-N 2.91Å; K537-K539 VanDerWaalsContact O-N 3.1Å |
| 540 | T | 88.4 | Confident | 92.9 | Very high | 71 Ų | 71 | 42.7 Ų | 42.7 | 44% | 0.436 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -88 | -173.3 | 178.5 | 76.2 | 0 | 0 | 0 | 0 | 111.8 | K537 M538 I542 | K537-T540 WeakPolarHBondContact O-CB 3.49Å; K537-T540 PolarHBondContact O-N 2.87Å; K537-T540 PolarHBondContact O-OG1 3.49Å; M538-T540 VanDerWaalsContact C-N 3.3Å; T540-I542 PolarHBondContact O-N 3.39Å; T540-I542 PolarHBondContact OG1-N 2.98Å |
| 541 | S | 85.1 | Confident | 93 | Very high | 120 Ų | 120 | 44.6 Ų | 44.6 | 84% | 0.839 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -65.3 | -24 | 172.9 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | Q543 | S541-Q543 PolarHBondContact O-N 3.5Š|
| 542 | I | 84.1 | Confident | 93 | Very high | 80 Ų | 80 | 47.3 Ų | 47.3 | 41% | 0.41 | 24% | 0.239 | S | C | . | . | trans | -96.2 | 97.8 | -179.7 | -56.6 | 173.8 | 0 | 0 | 0 | 109 | T540 R544 | T540-I542 PolarHBondContact O-N 3.39Å; T540-I542 PolarHBondContact OG1-N 2.98Å; I542-R544 HydrophobicContact CG2-CG 3.98Å; I542-R544 PolarHBondContact O-N 3.26Å | ||
| 543 | Q | 89.3 | Confident | 93.1 | Very high | 54 Ų | 54 | 41.5 Ų | 41.5 | 25% | 0.252 | 21% | 0.213 | S | C | . | . | trans | -99.3 | 46.6 | -176.7 | -58.4 | -175.1 | -27.2 | 0 | 0 | 112.3 | R487 M538 S541 | R487-Q543 WeakPolarHBondContact CA-O 3.2Å; R487-Q543 HydrophobicContact CG-CB 4.22Å; R487-Q543 PolarHBondContact N-O 3.47Å; M538-Q543 HydrophobicContact SD-CB 4.38Å; S541-Q543 PolarHBondContact O-N 3.5Å | ||
| 544 | R | 93.3 | Very high | 93.3 | Very high | 65 Ų | 65 | 42.1 Ų | 42.1 | 25% | 0.245 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 148.4 | 176 | 64.6 | 176.5 | 178.7 | 79.4 | -0.7 | 111.5 | K479 A482 S483 R488 K537 I542 | K479-R544 VanDerWaalsContact CG-NH1 3.3Å; A482-R544 HydrophobicContact CB-CB 3.95Å; S483-R544 WeakPolarHBondContact OG-CD 3.25Å; R488-R544 CarbonylContact O-C 3.51Å; R488-R544 WeakPolarHBondContact O-CA 3.46Å; K537-R544 VanDerWaalsContact CE-O 3.24Å; K537-R544 WeakPolarHBondContact CE-O 3.36Å; K537-R544 PolarHBondContact NZ-O 3.08Å; K537-R544 VanDerWaalsContact NZ-O 3.09Å; I542-R544 HydrophobicContact CG2-CG 3.98Å; I542-R544 PolarHBondContact O-N 3.26Å |
| 545 | G | 94.3 | Very high | 93.3 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 145.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R488 V489 F490 D513 | R488-G545 PolarHBondContact O-N 3.02Å; V489-G545 WeakPolarHBondContact CA-O 3.28Å; F490-G545 PolarHBondContact N-O 3.19Å; D513-G545 VanDerWaalsContact OD2-CA 3.25Å; D513-G545 WeakPolarHBondContact OD2-CA 3.5Å |
| 546 | L | 96.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 119.7 | 178.1 | -170.8 | 70.8 | 0 | 0 | 0 | 109.6 | C475 K479 F490 I492 A510 A512 D513 L548 | C475-L546 HydrophobicContact CB-CD2 4.25Å; K479-L546 HydrophobicContact CD-CD2 4.28Å; K479-L546 HydrophobicContact CG-CD2 4.4Å; F490-L546 HydrophobicContact CB-CD1 4.37Å; I492-L546 HydrophobicContact CD1-CD1 3.33Å; I492-L546 HydrophobicContact CD1-CG 4.39Å; I492-L546 HydrophobicContact CG1-CD1 4.16Å; A510-L546 HydrophobicContact CB-CD2 3.84Å; A512-L546 HydrophobicContact CB-CD2 4.36Å; D513-L546 WeakPolarHBondContact CB-O 3.34Å; D513-L546 PolarHBondContact N-O 3.41Å; D513-L546 PolarHBondContact OD2-N 3.15Å; L546-L548 HydrophobicContact CD1-CD1 4.47Å; L546-L548 HydrophobicContact CD2-CD1 4.06Å; L546-L548 HydrophobicContact CG-CD1 3.84Å |
| 547 | V | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 125.1 | 180 | 178.4 | 0 | 0 | 0 | 0 | 107.6 | V489 F490 I491 I492 T514 Y516 L534 Y566 | V489-V547 HydrophobicContact CG1-CG2 3.99Å; F490-V547 PolarHBondContact O-N 3.19Å; I491-V547 CarbonylContact C-O 3.58Å; I491-V547 HydrophobicContact CD1-CB 3.61Å; I491-V547 HydrophobicContact CD1-CG1 3.92Å; I491-V547 HydrophobicContact CD1-CG2 3.73Å; I492-V547 PolarHBondContact N-O 3.3Å; T514-V547 HydrophobicContact CG2-CB 4.22Å; T514-V547 HydrophobicContact CG2-CG1 3.66Å; T514-V547 HydrophobicContact CG2-CG2 3.92Å; T514-V547 WeakPolarHBondContact O-CA 3.17Å; Y516-V547 HydrophobicContact CD2-CG1 3.93Å; Y516-V547 HydrophobicContact CE2-CG1 3.56Å; L534-V547 HydrophobicContact CD1-CG2 4.07Å; V547-Y566 HydrophobicContact CG2-CE1 3.84Å |
| 548 | L | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 146.9 | 171.5 | -81.5 | 65.1 | 0 | 0 | 0 | 110 | I471 I492 T494 A503 A512 T514 V515 Y516 L546 | I471-L548 HydrophobicContact CG2-CD2 4.24Å; I492-L548 HydrophobicContact CB-CD1 4.39Å; I492-L548 HydrophobicContact CB-CG 4.26Å; I492-L548 CarbonylContact O-C 3.52Å; I492-L548 WeakPolarHBondContact O-CA 3.36Å; T494-L548 HydrophobicContact CG2-CD2 4.03Å; T494-L548 HydrophobicContact CG2-CG 4.34Å; A503-L548 WeakPolarHBondContact O-CD2 3.44Å; A512-L548 HydrophobicContact CB-CD1 3.78Å; T514-L548 PolarHBondContact O-N 2.94Å; V515-L548 CarbonylContact C-O 3.57Å; V515-L548 VanDerWaalsContact CA-O 3.22Å; V515-L548 WeakPolarHBondContact CA-O 3.33Å; V515-L548 HydrophobicContact CG1-CB 4.21Å; V515-L548 HydrophobicContact CG2-CB 4.03Å; Y516-L548 PolarHBondContact N-O 2.92Å; L546-L548 HydrophobicContact CD1-CD1 4.47Å; L546-L548 HydrophobicContact CD2-CD1 4.06Å; L546-L548 HydrophobicContact CG-CD1 3.84Å |
| 549 | R | 97.8 | Very high | 94.1 | Very high | 10 Ų | 10 | 52.2 Ų | 52.2 | 4% | 0.038 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 125.7 | 178.5 | -177.7 | -157.1 | 170.3 | -99 | -15.6 | 108 | I492 E493 T494 E551 C553 N554 F557 T559 I562 | I492-R549 PolarHBondContact O-N 3.07Å; E493-R549 CarbonylContact C-O 3.46Å; E493-R549 VanDerWaalsContact CA-O 3.31Å; E493-R549 WeakPolarHBondContact CA-O 3.25Å; E493-R549 IonicContact OE2-NH1 3.45Å; E493-R549 PolarHBondContact OE2-NH1 2.94Å; T494-R549 PolarHBondContact N-O 3.2Å; T494-R549 PolarHBondContact OG1-O 2.78Å; R549-E551 PolarHBondContact NH1-O 2.97Å; R549-E551 VanDerWaalsContact NH1-O 3.14Å; R549-E551 PolarHBondContact NH2-O 3.2Å; R549-C553 VanDerWaalsContact CG-SG 3.52Å; R549-N554 PolarHBondContact NH2-O 3.39Å; R549-F557 PolarHBondContact NE-O 2.98Å; R549-F557 VanDerWaalsContact NE-O 3.09Å; R549-T559 WeakPolarHBondContact CD-OG1 3.4Å; R549-T559 PolarHBondContact NH1-OG1 3.42Å; R549-I562 HydrophobicContact CG-CD1 4.38Å |
| 550 | N | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 138.5 | 166.8 | 163.5 | -93.4 | 0 | 0 | 0 | 110.2 | G497 C499 A503 Y516 I517 N552 C553 | G497-N550 PolarHBondContact O-ND2 3.48Å; G497-N550 PolarHBondContact O-OD1 3.23Å; C499-N550 PolarHBondContact O-ND2 2.91Å; C499-N550 VanDerWaalsContact O-ND2 3.14Å; A503-N550 HydrophobicContact CB-CB 3.95Å; Y516-N550 PolarHBondContact O-N 2.97Å; I517-N550 HydrophobicContact CG2-CB 4.41Å; N550-N552 VanDerWaalsContact C-N 3.26Å; N550-N552 PolarHBondContact O-N 2.84Å; N550-N552 VanDerWaalsContact O-N 3.14Å; N550-N552 PolarHBondContact OD1-N 2.96Å; N550-C553 HydrophobicContact CB-CB 4.36Å; N550-C553 WeakPolarHBondContact O-CB 3.35Å; N550-C553 PolarHBondContact O-N 2.77Å; N550-C553 VanDerWaalsContact O-N 3.09Å; N550-C553 PolarHBondContact O-SG 3.35Å; N550-C553 VanDerWaalsContact O-SG 3.36Å; N550-C553 PolarHBondContact OD1-N 3.3Å |
| 551 | E | 95.5 | Very high | 94.9 | Very high | 54 Ų | 54 | 49 Ų | 49 | 25% | 0.252 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -38.5 | -173.2 | 63.1 | -169.2 | 162.2 | 0 | 0 | 114.6 | E493 T494 M495 G496 G497 R549 | E493-E551 HydrophobicContact CG-CB 4.27Å; T494-E551 PolarHBondContact O-N 3.17Å; M495-E551 WeakPolarHBondContact CA-OE1 3.33Å; G496-E551 PolarHBondContact N-OE1 3.28Å; G497-E551 WeakPolarHBondContact CA-OE1 3.33Å; G497-E551 PolarHBondContact N-OE1 3.31Å; R549-E551 PolarHBondContact NH1-O 2.97Å; R549-E551 VanDerWaalsContact NH1-O 3.14Å; R549-E551 PolarHBondContact NH2-O 3.2Å |
| 552 | N | 96.6 | Very high | 95.5 | Very high | 62 Ų | 62 | 43.2 Ų | 43.2 | 33% | 0.332 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 25.9 | -178.3 | -63.8 | -3.5 | 0 | 0 | 0 | 113.2 | G497 Y498 N550 N554 | G497-N552 WeakPolarHBondContact O-CB 3.28Å; Y498-N552 HydrophobicContact CD1-CB 3.73Å; Y498-N552 HydrophobicContact CD2-CB 4.38Å; Y498-N552 HydrophobicContact CE1-CB 3.79Å; Y498-N552 HydrophobicContact CE2-CB 4.41Å; Y498-N552 HydrophobicContact CG-CB 4.06Å; N550-N552 VanDerWaalsContact C-N 3.26Å; N550-N552 PolarHBondContact O-N 2.84Å; N550-N552 VanDerWaalsContact O-N 3.14Å; N550-N552 PolarHBondContact OD1-N 2.96Å; N552-N554 PolarHBondContact O-N 3.29Å |
| 553 | C | 95.9 | Very high | 96.2 | Very high | 7 Ų | 7 | 42.5 Ų | 42.5 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -61.6 | -33.3 | -179.9 | 68.9 | 0 | 0 | 0 | 0 | 113.2 | I517 F522 R549 N550 | I517-C553 VanDerWaalsContact C-CB 3.44Å; F522-C553 HydrophobicContact CE1-CB 4.18Å; R549-C553 VanDerWaalsContact CG-SG 3.52Å; N550-C553 HydrophobicContact CB-CB 4.36Å; N550-C553 WeakPolarHBondContact O-CB 3.35Å; N550-C553 PolarHBondContact O-N 2.77Å; N550-C553 VanDerWaalsContact O-N 3.09Å; N550-C553 PolarHBondContact O-SG 3.35Å; N550-C553 VanDerWaalsContact O-SG 3.36Å; N550-C553 PolarHBondContact OD1-N 3.3Å |
| 554 | N | 96.6 | Very high | 96.6 | Very high | 48 Ų | 48 | 45.8 Ų | 45.8 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | trans | -162.6 | 139.7 | 178.1 | -170.1 | -76.1 | 0 | 0 | 0 | 109.3 | F522 R549 N552 N556 F557 | F522-N554 HydrophobicContact CE1-CB 4.26Å; F522-N554 HydrophobicContact CZ-CB 4.04Å; R549-N554 PolarHBondContact NH2-O 3.39Å; N552-N554 PolarHBondContact O-N 3.29Å; N554-N556 PolarHBondContact OD1-N 3Å; N554-F557 HydrophobicContact CB-CB 4Å; N554-F557 HydrophobicContact CB-CD2 4.26Å; N554-F557 HydrophobicContact CB-CG 4.45Å; N554-F557 PolarHBondContact OD1-N 2.87Å | ||
| 555 | E | 94.1 | Very high | 96.8 | Very high | 161 Ų | 161 | 44 Ų | 44 | 75% | 0.752 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -69.4 | -35.5 | -179 | -63.2 | -176.2 | 166.1 | 0 | 0 | 113.2 | ||
| 556 | N | 95.8 | Very high | 96.9 | Very high | 124 Ų | 124 | 43.8 Ų | 43.8 | 66% | 0.663 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -93.3 | -37.4 | -175.5 | -63.3 | -58 | 0 | 0 | 0 | 112 | N554 T558 | N554-N556 PolarHBondContact OD1-N 3Å; N556-T558 PolarHBondContact O-N 2.98Å |
| 557 | F | 96.1 | Very high | 96.9 | Very high | 39 Ų | 39 | 45.3 Ų | 45.3 | 17% | 0.171 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -84.3 | 66.7 | 177.5 | -52.6 | -30.8 | 0 | 0 | 0 | 110.7 | F522 L527 R549 N554 F561 I562 | F522-F557 AromaticContact CD2-CD2 3.92Å; F522-F557 HydrophobicContact CD2-CD2 3.92Å; F522-F557 HydrophobicContact CD2-CE2 4.41Å; F522-F557 HydrophobicContact CE2-CB 3.9Å; F522-F557 AromaticContact CE2-CD2 3.41Å; F522-F557 HydrophobicContact CE2-CD2 3.41Å; F522-F557 VanDerWaalsContact CE2-CD2 3.41Å; F522-F557 HydrophobicContact CE2-CE2 4.32Å; F522-F557 HydrophobicContact CE2-CG 4.07Å; F522-F557 HydrophobicContact CZ-CB 4.05Å; F522-F557 AromaticContact CZ-CD2 3.98Å; F522-F557 HydrophobicContact CZ-CD2 3.98Å; L527-F557 HydrophobicContact CD1-CG 4.42Å; R549-F557 PolarHBondContact NE-O 2.98Å; R549-F557 VanDerWaalsContact NE-O 3.09Å; N554-F557 HydrophobicContact CB-CB 4Å; N554-F557 HydrophobicContact CB-CD2 4.26Å; N554-F557 HydrophobicContact CB-CG 4.45Å; N554-F557 PolarHBondContact OD1-N 2.87Å; F557-F561 HydrophobicContact CB-CD1 4.26Å; F557-F561 AromaticContact CD1-CD1 3.7Å; F557-F561 HydrophobicContact CD1-CD1 3.7Å; F557-F561 AromaticContact CD1-CE1 3.49Å; F557-F561 HydrophobicContact CD1-CE1 3.49Å; F557-F561 VanDerWaalsContact CD1-CE1 3.49Å; F557-F561 HydrophobicContact CD1-CZ 4.21Å; F557-F561 AromaticContact CE1-CE1 3.92Å; F557-F561 HydrophobicContact CE1-CE1 3.92Å; F557-F561 HydrophobicContact CE1-CZ 4.29Å; F557-F561 HydrophobicContact CG-CD1 4.34Å; F557-F561 HydrophobicContact CG-CE1 4.34Å; F557-I562 HydrophobicContact CB-CD1 4.44Å; F557-I562 HydrophobicContact CB-CG1 4.41Å |
| 558 | T | 97 | Very high | 96.9 | Very high | 56 Ų | 56 | 50.6 Ų | 50.6 | 34% | 0.344 | 25% | 0.251 | S | S | . | . | trans | -67.2 | 163.3 | 176.1 | 67.7 | 0 | 0 | 0 | 0 | 111.2 | N556 D560 F561 I562 | N556-T558 PolarHBondContact O-N 2.98Å; T558-D560 PolarHBondContact O-N 3.12Å; T558-D560 PolarHBondContact OG1-N 3.45Å; T558-F561 PolarHBondContact O-N 3.32Å; T558-F561 PolarHBondContact OG1-N 2.9Å; T558-F561 VanDerWaalsContact OG1-N 3.14Å; T558-I562 WeakPolarHBondContact O-CG1 3.46Å; T558-I562 PolarHBondContact O-N 3.48Å | ||
| 559 | T | 97.4 | Very high | 96.7 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -53.7 | -35.7 | 172.3 | -65 | 0 | 0 | 0 | 0 | 111.9 | I491 E493 R549 Y563 K578 | I491-T559 HydrophobicContact CG2-CG2 4.25Å; E493-T559 WeakPolarHBondContact OE2-CB 3.41Å; E493-T559 PolarHBondContact OE2-OG1 2.92Å; R549-T559 WeakPolarHBondContact CD-OG1 3.4Å; R549-T559 PolarHBondContact NH1-OG1 3.42Å; T559-Y563 WeakPolarHBondContact O-CB 3.33Å; T559-Y563 PolarHBondContact O-N 3.45Å; T559-K578 HydrophobicContact CG2-CB 3.94Å; T559-K578 HydrophobicContact CG2-CD 4.27Å |
| 560 | D | 97.4 | Very high | 96.5 | Very high | 71 Ų | 71 | 55.2 Ų | 55.2 | 38% | 0.38 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -71.8 | -42.7 | -179.3 | -74.2 | 10.4 | 0 | 0 | 0 | 111.9 | T558 Y563 Q564 K578 | T558-D560 PolarHBondContact O-N 3.12Å; T558-D560 PolarHBondContact OG1-N 3.45Å; D560-Y563 PolarHBondContact O-N 3.29Å; D560-Q564 WeakPolarHBondContact O-CB 3.33Å; D560-Q564 VanDerWaalsContact O-CG 3.28Å; D560-Q564 WeakPolarHBondContact O-CG 3.2Å; D560-Q564 PolarHBondContact O-N 3.04Å; D560-K578 WeakPolarHBondContact OD1-CD 3.31Å; D560-K578 WeakPolarHBondContact OD1-CE 3.46Å; D560-K578 IonicContact OD1-NZ 2.74Å; D560-K578 PolarHBondContact OD1-NZ 2.91Å; D560-K578 IonicContact OD2-NZ 3.56Å; D560-K578 PolarHBondContact OD2-NZ 3.14Å |
| 561 | F | 97.3 | Very high | 96.3 | Very high | 70 Ų | 70 | 64 Ų | 64 | 31% | 0.307 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.3 | -51.7 | 174.3 | 176.4 | -95 | 0 | 0 | 0 | 111.4 | I524 L527 F557 T558 Y563 Q564 L565 | I524-F561 HydrophobicContact CD1-CE1 4.39Å; I524-F561 HydrophobicContact CD1-CZ 4.23Å; L527-F561 HydrophobicContact CD1-CE1 3.94Å; F557-F561 HydrophobicContact CB-CD1 4.26Å; F557-F561 AromaticContact CD1-CD1 3.7Å; F557-F561 HydrophobicContact CD1-CD1 3.7Å; F557-F561 AromaticContact CD1-CE1 3.49Å; F557-F561 HydrophobicContact CD1-CE1 3.49Å; F557-F561 VanDerWaalsContact CD1-CE1 3.49Å; F557-F561 HydrophobicContact CD1-CZ 4.21Å; F557-F561 AromaticContact CE1-CE1 3.92Å; F557-F561 HydrophobicContact CE1-CE1 3.92Å; F557-F561 HydrophobicContact CE1-CZ 4.29Å; F557-F561 HydrophobicContact CG-CD1 4.34Å; F557-F561 HydrophobicContact CG-CE1 4.34Å; T558-F561 PolarHBondContact O-N 3.32Å; T558-F561 PolarHBondContact OG1-N 2.9Å; T558-F561 VanDerWaalsContact OG1-N 3.14Å; F561-Y563 VanDerWaalsContact C-N 3.29Å; F561-Y563 PolarHBondContact O-N 3.14Å; F561-Q564 PolarHBondContact O-N 2.95Å; F561-L565 HydrophobicContact CE1-CD2 4.32Å; F561-L565 WeakPolarHBondContact O-CB 3.46Å; F561-L565 PolarHBondContact O-N 2.93Å |
| 562 | I | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 179.8 | -65.2 | 177.3 | 0 | 0 | 0 | 110.3 | I491 Y516 L527 R549 F557 T558 L565 Y566 | I491-I562 HydrophobicContact CD1-CG2 4.05Å; I491-I562 HydrophobicContact CG1-CG2 4.3Å; I491-I562 HydrophobicContact CG2-CG2 4.16Å; Y516-I562 HydrophobicContact CD2-CD1 3.87Å; Y516-I562 HydrophobicContact CE2-CD1 4.19Å; Y516-I562 HydrophobicContact CE2-CG2 4.42Å; Y516-I562 HydrophobicContact CG-CD1 4.43Å; L527-I562 HydrophobicContact CD2-CD1 4.42Å; L527-I562 HydrophobicContact CD2-CG1 4.41Å; R549-I562 HydrophobicContact CG-CD1 4.38Å; F557-I562 HydrophobicContact CB-CD1 4.44Å; F557-I562 HydrophobicContact CB-CG1 4.41Å; T558-I562 WeakPolarHBondContact O-CG1 3.46Å; T558-I562 PolarHBondContact O-N 3.48Å; I562-L565 PolarHBondContact O-N 3.1Å; I562-Y566 HydrophobicContact CG2-CD2 3.8Å; I562-Y566 HydrophobicContact CG2-CE2 3.79Å; I562-Y566 WeakPolarHBondContact O-CB 3.47Å; I562-Y566 WeakPolarHBondContact O-CD2 3.46Å; I562-Y566 PolarHBondContact O-N 2.97Å |
| 563 | Y | 97.8 | Very high | 96 | Very high | 64 Ų | 64 | 64.4 Ų | 64.4 | 25% | 0.251 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59 | -47.4 | 175.2 | 163.5 | -108.8 | 0 | 0 | 0 | 112.6 | T559 D560 F561 S567 C576 K578 | T559-Y563 WeakPolarHBondContact O-CB 3.33Å; T559-Y563 PolarHBondContact O-N 3.45Å; D560-Y563 PolarHBondContact O-N 3.29Å; F561-Y563 VanDerWaalsContact C-N 3.29Å; F561-Y563 PolarHBondContact O-N 3.14Å; Y563-S567 VanDerWaalsContact CE2-OG 3.31Å; Y563-S567 WeakPolarHBondContact CE2-OG 3.35Å; Y563-S567 VanDerWaalsContact O-CB 3.31Å; Y563-S567 WeakPolarHBondContact O-CB 3.41Å; Y563-S567 PolarHBondContact O-N 3.37Å; Y563-S567 PolarHBondContact O-OG 3.05Å; Y563-C576 HydrophobicContact CD2-CB 4.01Å; Y563-C576 HydrophobicContact CE2-CB 4Å; Y563-C576 WeakPolarHBondContact CE2-O 3.44Å; Y563-K578 HydrophobicContact CD1-CD 4.16Å; Y563-K578 HydrophobicContact CD2-CB 4.32Å; Y563-K578 HydrophobicContact CG-CB 4.26Å; Y563-K578 HydrophobicContact CG-CD 4.17Å; Y563-K578 HydrophobicContact CG-CG 4.38Å |
| 564 | Q | 97.7 | Very high | 95.9 | Very high | 123 Ų | 123 | 64.5 Ų | 64.5 | 58% | 0.575 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.9 | -46.6 | 179.1 | -75.1 | 173.7 | -8.8 | 0 | 0 | 111.3 | D560 F561 Y566 S567 E568 | D560-Q564 WeakPolarHBondContact O-CB 3.33Å; D560-Q564 VanDerWaalsContact O-CG 3.28Å; D560-Q564 WeakPolarHBondContact O-CG 3.2Å; D560-Q564 PolarHBondContact O-N 3.04Å; F561-Q564 PolarHBondContact O-N 2.95Å; Q564-Y566 PolarHBondContact O-N 3.39Å; Q564-S567 WeakPolarHBondContact O-CB 3.36Å; Q564-S567 PolarHBondContact O-N 2.97Å; Q564-E568 PolarHBondContact O-N 2.74Å |
| 565 | L | 96.9 | Very high | 95.8 | Very high | 27 Ų | 27 | 66 Ų | 66 | 14% | 0.141 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.1 | -52.2 | 176.6 | 178.2 | 68.3 | 0 | 0 | 0 | 111.3 | I524 L527 F561 I562 S567 E568 E569 | I524-L565 HydrophobicContact CD1-CD1 4.33Å; I524-L565 HydrophobicContact CD1-CD2 3.75Å; L527-L565 HydrophobicContact CB-CD2 3.62Å; L527-L565 HydrophobicContact CD1-CD2 3.65Å; L527-L565 HydrophobicContact CG-CD2 4.24Å; F561-L565 HydrophobicContact CE1-CD2 4.32Å; F561-L565 WeakPolarHBondContact O-CB 3.46Å; F561-L565 PolarHBondContact O-N 2.93Å; I562-L565 PolarHBondContact O-N 3.1Å; L565-S567 PolarHBondContact O-N 3.33Å; L565-E568 PolarHBondContact O-N 3.43Å; L565-E569 HydrophobicContact CD1-CG 3.76Å; L565-E569 HydrophobicContact CG-CG 4.32Å; L565-E569 WeakPolarHBondContact O-CB 3.46Å; L565-E569 WeakPolarHBondContact O-CG 3.42Å; L565-E569 PolarHBondContact O-N 3.08Å |
| 566 | Y | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.7 | -31.6 | 179.9 | -86.3 | -126.7 | 0 | 0 | 0 | 112.4 | V489 I491 Y516 N530 V531 L534 V547 I562 Q564 G570 F574 | V489-Y566 HydrophobicContact CG1-CD1 4.15Å; I491-Y566 HydrophobicContact CD1-CD1 3.8Å; I491-Y566 HydrophobicContact CD1-CE1 4.09Å; I491-Y566 HydrophobicContact CD1-CG 4.13Å; Y516-Y566 PolarHBondContact OH-OH 2.9Å; N530-Y566 WeakPolarHBondContact CB-OH 3.33Å; V531-Y566 HydrophobicContact CG2-CD1 3.91Å; V531-Y566 HydrophobicContact CG2-CD2 3.48Å; V531-Y566 VanDerWaalsContact CG2-CD2 3.48Å; V531-Y566 HydrophobicContact CG2-CE1 3.9Å; V531-Y566 HydrophobicContact CG2-CE2 3.44Å; V531-Y566 VanDerWaalsContact CG2-CE2 3.44Å; V531-Y566 HydrophobicContact CG2-CG 3.71Å; L534-Y566 HydrophobicContact CD1-CD1 4.17Å; L534-Y566 HydrophobicContact CD1-CE1 3.59Å; V547-Y566 HydrophobicContact CG2-CE1 3.84Å; I562-Y566 HydrophobicContact CG2-CD2 3.8Å; I562-Y566 HydrophobicContact CG2-CE2 3.79Å; I562-Y566 WeakPolarHBondContact O-CB 3.47Å; I562-Y566 WeakPolarHBondContact O-CD2 3.46Å; I562-Y566 PolarHBondContact O-N 2.97Å; Q564-Y566 PolarHBondContact O-N 3.39Å; Y566-G570 WeakPolarHBondContact O-CA 3.49Å; Y566-G570 PolarHBondContact O-N 2.97Å; Y566-F574 WeakPolarHBondContact O-CE2 3.36Å |
| 567 | S | 96.7 | Very high | 95.9 | Very high | 34 Ų | 34 | 57.7 Ų | 57.7 | 24% | 0.238 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.7 | -40.6 | 177.3 | -60.7 | 0 | 0 | 0 | 0 | 112 | Y563 Q564 L565 C576 | Y563-S567 VanDerWaalsContact CE2-OG 3.31Å; Y563-S567 WeakPolarHBondContact CE2-OG 3.35Å; Y563-S567 VanDerWaalsContact O-CB 3.31Å; Y563-S567 WeakPolarHBondContact O-CB 3.41Å; Y563-S567 PolarHBondContact O-N 3.37Å; Y563-S567 PolarHBondContact O-OG 3.05Å; Q564-S567 WeakPolarHBondContact O-CB 3.36Å; Q564-S567 PolarHBondContact O-N 2.97Å; L565-S567 PolarHBondContact O-N 3.33Å; S567-C576 VanDerWaalsContact OG-CB 3.31Å; S567-C576 WeakPolarHBondContact OG-CB 3.49Å |
| 568 | E | 96.7 | Very high | 95.9 | Very high | 110 Ų | 110 | 60 Ų | 60 | 51% | 0.514 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -77.7 | -48.7 | -179.6 | -166.4 | 59.6 | -144.8 | 0 | 0 | 111.4 | Q564 L565 G570 R571 | Q564-E568 PolarHBondContact O-N 2.74Å; L565-E568 PolarHBondContact O-N 3.43Å; E568-G570 VanDerWaalsContact C-N 3.3Å; E568-G570 PolarHBondContact O-N 2.91Å; E568-R571 WeakPolarHBondContact O-CB 3.36Å; E568-R571 PolarHBondContact O-N 3.37Å; E568-R571 VanDerWaalsContact O-N 3.16Å; E568-R571 IonicContact OE1-NH1 2.77Å; E568-R571 PolarHBondContact OE1-NH1 2.96Å |
| 569 | E | 95.3 | Very high | 95.9 | Very high | 107 Ų | 107 | 59.8 Ų | 59.8 | 50% | 0.5 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70 | -28.5 | -178.7 | -63.7 | -61.2 | 140.7 | 0 | 0 | 112.3 | V531 L565 R571 | V531-E569 HydrophobicContact CG1-CB 3.74Å; L565-E569 HydrophobicContact CD1-CG 3.76Å; L565-E569 HydrophobicContact CG-CG 4.32Å; L565-E569 WeakPolarHBondContact O-CB 3.46Å; L565-E569 WeakPolarHBondContact O-CG 3.42Å; L565-E569 PolarHBondContact O-N 3.08Å; E569-R571 VanDerWaalsContact C-N 3.3Å |
| 570 | G | 93.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -1.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y566 E568 G572 V573 F574 | Y566-G570 WeakPolarHBondContact O-CA 3.49Å; Y566-G570 PolarHBondContact O-N 2.97Å; E568-G570 VanDerWaalsContact C-N 3.3Å; E568-G570 PolarHBondContact O-N 2.91Å; G570-G572 PolarHBondContact O-N 3.42Å; G570-V573 WeakPolarHBondContact O-CA 3.47Å; G570-V573 PolarHBondContact O-N 3.43Å; G570-F574 PolarHBondContact O-N 3.26Å |
| 571 | R | 93.4 | Very high | 95.9 | Very high | 185 Ų | 185 | 60.6 Ų | 60.6 | 70% | 0.698 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 132.2 | -169.5 | -173.3 | 175.4 | -179 | 176.6 | 0.2 | 112 | E568 E569 V573 | E568-R571 WeakPolarHBondContact O-CB 3.36Å; E568-R571 PolarHBondContact O-N 3.37Å; E568-R571 VanDerWaalsContact O-N 3.16Å; E568-R571 IonicContact OE1-NH1 2.77Å; E568-R571 PolarHBondContact OE1-NH1 2.96Å; E569-R571 VanDerWaalsContact C-N 3.3Å; R571-V573 PolarHBondContact O-N 2.8Å |
| 572 | G | 91.1 | Very high | 95.8 | Very high | 79 Ų | 79 | 58.3 Ų | 58.3 | 81% | 0.814 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | -9.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G570 | G570-G572 PolarHBondContact O-N 3.42Š|
| 573 | V | 93.6 | Very high | 95.7 | Very high | 45 Ų | 45 | 64.9 Ų | 64.9 | 27% | 0.273 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -46.6 | 176.1 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | R487 T535 M538 G570 R571 | R487-V573 WeakPolarHBondContact CB-O 3.46Å; R487-V573 WeakPolarHBondContact CD-O 3.07Å; T535-V573 HydrophobicContact CG2-CB 4.36Å; T535-V573 HydrophobicContact CG2-CG1 3.98Å; T535-V573 HydrophobicContact CG2-CG2 4.09Å; M538-V573 HydrophobicContact CB-CG1 3.95Å; M538-V573 HydrophobicContact CG-CG1 4.34Å; G570-V573 WeakPolarHBondContact O-CA 3.47Å; G570-V573 PolarHBondContact O-N 3.43Å; R571-V573 PolarHBondContact O-N 2.8Å |
| 574 | F | 95 | Very high | 95.5 | Very high | 9 Ų | 9 | 67.3 Ų | 67.3 | 4% | 0.039 | 34% | 0.343 | C | S | . | . | trans | -147 | 156.7 | 176 | 60.7 | -102.9 | 0 | 0 | 0 | 113.3 | R487 V489 V531 L534 M538 Y566 G570 | R487-F574 HydrophobicContact CB-CB 4.36Å; R487-F574 CarbonylContact O-C 3.52Å; R487-F574 WeakPolarHBondContact O-CA 3.37Å; R487-F574 VanDerWaalsContact O-CB 3.22Å; R487-F574 WeakPolarHBondContact O-CB 3.21Å; V489-F574 HydrophobicContact CB-CD2 3.95Å; V489-F574 HydrophobicContact CB-CE2 4.02Å; V489-F574 HydrophobicContact CG2-CB 4.35Å; V489-F574 HydrophobicContact CG2-CD1 4.16Å; V489-F574 HydrophobicContact CG2-CD2 3.38Å; V489-F574 HydrophobicContact CG2-CE1 4.29Å; V489-F574 HydrophobicContact CG2-CE2 3.56Å; V489-F574 HydrophobicContact CG2-CG 3.71Å; V489-F574 HydrophobicContact CG2-CZ 4.02Å; V531-F574 HydrophobicContact CG1-CE1 4.49Å; V531-F574 HydrophobicContact CG1-CZ 4.15Å; L534-F574 HydrophobicContact CB-CE1 4.17Å; M538-F574 HydrophobicContact CE-CB 3.85Å; M538-F574 HydrophobicContact CE-CD1 4.25Å; M538-F574 HydrophobicContact CE-CG 4.11Å; M538-F574 HydrophobicContact CG-CB 4.08Å; M538-F574 HydrophobicContact CG-CD1 3.96Å; M538-F574 HydrophobicContact CG-CG 4.43Å; M538-F574 HydrophobicContact SD-CB 4.45Å; Y566-F574 WeakPolarHBondContact O-CE2 3.36Å; G570-F574 PolarHBondContact O-N 3.26Å | ||
| 575 | D | 94.2 | Very high | 95.4 | Very high | 81 Ų | 81 | 61.6 Ų | 61.6 | 43% | 0.433 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 142.1 | 166.9 | -74.6 | -17.5 | 0 | 0 | 0 | 110.4 | R487 R488 V489 | R487-D575 PolarHBondContact O-N 3.46Å; R488-D575 CarbonylContact C-O 3.55Å; R488-D575 WeakPolarHBondContact CA-O 3.42Å; R488-D575 IonicContact CZ-OD2 3.8Å; R488-D575 IonicContact NE-OD2 2.78Å; R488-D575 IonicContact NH2-OD2 3.07Å; R488-D575 PolarHBondContact NH2-OD2 3.03Å; V489-D575 PolarHBondContact N-O 2.99Å |
| 576 | C | 95.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.02 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 151 | 169.5 | -157 | 0 | 0 | 0 | 0 | 111.6 | V489 Y563 S567 | V489-C576 CarbonylContact O-C 3.53Å; V489-C576 WeakPolarHBondContact O-CA 3.36Å; Y563-C576 HydrophobicContact CD2-CB 4.01Å; Y563-C576 HydrophobicContact CE2-CB 4Å; Y563-C576 WeakPolarHBondContact CE2-O 3.44Å; S567-C576 VanDerWaalsContact OG-CB 3.31Å; S567-C576 WeakPolarHBondContact OG-CB 3.49Å |
| 577 | R | 96.7 | Very high | 94.9 | Very high | 106 Ų | 106 | 64 Ų | 64 | 40% | 0.4 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 151.9 | 168.3 | -69.4 | -63.3 | -177.9 | -90.1 | 3.3 | 109.1 | V489 F490 I491 | V489-R577 PolarHBondContact O-N 2.92Å; F490-R577 CarbonylContact C-O 3.57Å; F490-R577 VanDerWaalsContact CA-O 3.29Å; F490-R577 WeakPolarHBondContact CA-O 3.34Å; F490-R577 HydrophobicContact CD1-CB 3.67Å; F490-R577 HydrophobicContact CE1-CB 3.51Å; F490-R577 HydrophobicContact CE1-CG 4.15Å; F490-R577 HydrophobicContact CG-CB 4.38Å; F490-R577 HydrophobicContact CZ-CB 4.1Å; F490-R577 HydrophobicContact CZ-CG 4.32Å; I491-R577 PolarHBondContact N-O 2.69Å |
| 578 | K | 95.9 | Very high | 94.6 | Very high | 87 Ų | 87 | 64.8 Ų | 64.8 | 38% | 0.378 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 148.9 | 172.9 | 65.8 | -177.3 | -178.2 | -177.9 | 0 | 111 | I491 T559 D560 Y563 | I491-K578 CarbonylContact O-C 3.53Å; I491-K578 VanDerWaalsContact O-CA 3.26Å; I491-K578 WeakPolarHBondContact O-CA 2.96Å; T559-K578 HydrophobicContact CG2-CB 3.94Å; T559-K578 HydrophobicContact CG2-CD 4.27Å; D560-K578 WeakPolarHBondContact OD1-CD 3.31Å; D560-K578 WeakPolarHBondContact OD1-CE 3.46Å; D560-K578 IonicContact OD1-NZ 2.74Å; D560-K578 PolarHBondContact OD1-NZ 2.91Å; D560-K578 IonicContact OD2-NZ 3.56Å; D560-K578 PolarHBondContact OD2-NZ 3.14Å; Y563-K578 HydrophobicContact CD1-CD 4.16Å; Y563-K578 HydrophobicContact CD2-CB 4.32Å; Y563-K578 HydrophobicContact CG-CB 4.26Å; Y563-K578 HydrophobicContact CG-CD 4.17Å; Y563-K578 HydrophobicContact CG-CG 4.38Å |
| 579 | N | 96.8 | Very high | 94.4 | Very high | 52 Ų | 52 | 62.2 Ų | 62.2 | 28% | 0.278 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 127.3 | 172.3 | -163.5 | -5 | 0 | 0 | 0 | 109.9 | I478 I491 I492 E493 | I478-N579 HydrophobicContact CD1-CB 4.32Å; I478-N579 VanDerWaalsContact CD1-ND2 3.35Å; I478-N579 WeakPolarHBondContact CD1-ND2 3.29Å; I491-N579 PolarHBondContact O-N 3.33Å; I492-N579 CarbonylContact C-O 3.57Å; I492-N579 VanDerWaalsContact CA-O 3.31Å; I492-N579 WeakPolarHBondContact CA-O 3.24Å; E493-N579 PolarHBondContact N-O 3.15Å |
| 580 | I | 97.4 | Very high | 94.5 | Very high | 86 Ų | 86 | 57.3 Ų | 57.3 | 44% | 0.441 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 110.8 | 177.3 | -60.1 | 171.6 | 0 | 0 | 0 | 106.8 | E493 G582 | E493-I580 HydrophobicContact CB-CB 4.39Å; E493-I580 HydrophobicContact CB-CG1 4.05Å; E493-I580 HydrophobicContact CB-CG2 4.3Å; E493-I580 WeakPolarHBondContact OE1-CG2 3.4Å; I580-G582 VanDerWaalsContact C-N 3.28Å; I580-G582 PolarHBondContact O-N 3.31Å |
| 581 | L | 96.4 | Very high | 94.7 | Very high | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | trans | -67 | -34.2 | -174.5 | -59.5 | -172.3 | 0 | 0 | 0 | 111.9 | I471 T474 I492 E493 T494 M584 Q585 | I471-L581 HydrophobicContact CB-CD1 4.33Å; I471-L581 HydrophobicContact CG1-CD1 3.86Å; I471-L581 HydrophobicContact CG2-CD1 4.26Å; T474-L581 HydrophobicContact CG2-CD2 3.63Å; I492-L581 HydrophobicContact CG2-CD1 3.8Å; I492-L581 HydrophobicContact CG2-CD2 3.87Å; I492-L581 HydrophobicContact CG2-CG 3.64Å; E493-L581 WeakPolarHBondContact O-CG 3.32Å; E493-L581 PolarHBondContact O-N 2.93Å; T494-L581 HydrophobicContact CG2-CD1 4.29Å; L581-M584 VanDerWaalsContact O-CE 3.29Å; L581-M584 WeakPolarHBondContact O-CE 3.4Å; L581-M584 PolarHBondContact O-N 3.32Å; L581-Q585 HydrophobicContact CB-CG 3.69Å; L581-Q585 HydrophobicContact CD1-CG 4.02Å | ||
| 582 | G | 95.5 | Very high | 94.9 | Very high | 22 Ų | 22 | 49 Ų | 49 | 23% | 0.227 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | 52.5 | -140.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M495 I580 M584 Q585 | M495-G582 VanDerWaalsContact SD-O 3.34Å; I580-G582 VanDerWaalsContact C-N 3.28Å; I580-G582 PolarHBondContact O-N 3.31Å; G582-M584 PolarHBondContact O-N 2.73Å; G582-M584 VanDerWaalsContact O-N 3.14Å; G582-Q585 WeakPolarHBondContact O-CB 3.46Å; G582-Q585 WeakPolarHBondContact O-CG 3.23Å; G582-Q585 PolarHBondContact O-N 3.44Å; G582-Q585 PolarHBondContact O-NE2 2.66Å |
| 583 | H | 95.4 | Very high | 95.1 | Very high | 138 Ų | 138 | 47.1 Ų | 47.1 | 64% | 0.639 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -69.4 | -10 | -172.1 | -69.7 | 81.4 | 0 | 0 | 0 | 114.9 | Q585 Q586 | H583-Q585 PolarHBondContact O-N 3.02Å; H583-Q585 VanDerWaalsContact O-N 3.09Å; H583-Q586 WeakPolarHBondContact O-CB 3.47Å; H583-Q586 PolarHBondContact O-N 3.14Å |
| 584 | M | 93.4 | Very high | 95.3 | Very high | 116 Ų | 116 | 45 Ų | 45 | 57% | 0.571 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -58.1 | -24.2 | 171.9 | -63.6 | -171.9 | -68.1 | 0 | 0 | 111.9 | L581 G582 Q586 G587 | L581-M584 VanDerWaalsContact O-CE 3.29Å; L581-M584 WeakPolarHBondContact O-CE 3.4Å; L581-M584 PolarHBondContact O-N 3.32Å; G582-M584 PolarHBondContact O-N 2.73Å; G582-M584 VanDerWaalsContact O-N 3.14Å; M584-Q586 PolarHBondContact O-N 3.42Å; M584-G587 PolarHBondContact O-N 3.37Å |
| 585 | Q | 96.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.009 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -67.8 | -15.8 | 176.2 | -66.1 | 172.7 | 94.4 | 0 | 0 | 113.9 | I451 S467 I471 T494 M495 L581 G582 H583 G587 | I451-Q585 HydrophobicContact CD1-CB 4.24Å; S467-Q585 WeakPolarHBondContact CA-O 3.43Å; S467-Q585 WeakPolarHBondContact CB-O 3.26Å; S467-Q585 PolarHBondContact OG-O 3.33Å; I471-Q585 HydrophobicContact CD1-CG 4.47Å; I471-Q585 HydrophobicContact CG1-CG 3.96Å; T494-Q585 VanDerWaalsContact CB-OE1 3.3Å; M495-Q585 HydrophobicContact SD-CB 4.44Å; L581-Q585 HydrophobicContact CB-CG 3.69Å; L581-Q585 HydrophobicContact CD1-CG 4.02Å; G582-Q585 WeakPolarHBondContact O-CB 3.46Å; G582-Q585 WeakPolarHBondContact O-CG 3.23Å; G582-Q585 PolarHBondContact O-N 3.44Å; G582-Q585 PolarHBondContact O-NE2 2.66Å; H583-Q585 PolarHBondContact O-N 3.02Å; H583-Q585 VanDerWaalsContact O-N 3.09Å; Q585-G587 PolarHBondContact O-N 3.5Å |
| 586 | Q | 93.5 | Very high | 95.5 | Very high | 43 Ų | 43 | 41.5 Ų | 41.5 | 20% | 0.201 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -70.7 | -14.7 | 170.9 | -68 | 179.5 | -5.8 | 0 | 0 | 112.2 | I451 H583 M584 | I451-Q586 HydrophobicContact CD1-CG 4.23Å; H583-Q586 WeakPolarHBondContact O-CB 3.47Å; H583-Q586 PolarHBondContact O-N 3.14Å; M584-Q586 PolarHBondContact O-N 3.42Å |
| 587 | G | 90.8 | Very high | 95.5 | Very high | 34 Ų | 34 | 42.4 Ų | 42.4 | 35% | 0.351 | 24% | 0.236 | S | C | . | . | trans | 72.9 | -177.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M584 Q585 | M584-G587 PolarHBondContact O-N 3.37Å; Q585-G587 PolarHBondContact O-N 3.5Å | ||
| 588 | G | 90.6 | Very high | 95.5 | Very high | 52 Ų | 52 | 37.3 Ų | 37.3 | 54% | 0.536 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -107 | -99.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | G385 | G385-G588 VanDerWaalsContact CA-O 3.22Å; G385-G588 WeakPolarHBondContact CA-O 3.38Å |
| 589 | A | 92.8 | Very high | 95.5 | Very high | 56 Ų | 56 | 33.2 Ų | 33.2 | 46% | 0.463 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -69.6 | 138.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 590 | P | 96.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 146.2 | 177.5 | 21.3 | -28.3 | 0 | 0 | 0 | 111.7 | A335 G383 D594 R595 | A335-P590 HydrophobicContact CB-CB 3.84Å; G383-P590 WeakPolarHBondContact O-CD 3.2Å; P590-D594 HydrophobicContact CB-CB 4.38Å; P590-R595 HydrophobicContact CB-CG 3.79Å; P590-R595 HydrophobicContact CG-CG 3.62Å; P590-R595 PolarHBondContact O-NE 3.12Å; P590-R595 PolarHBondContact O-NH2 2.8Å |
| 591 | S | 97.8 | Very high | 95.2 | Very high | 6 Ų | 6 | 29.1 Ų | 29.1 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 156.2 | 172.3 | 73 | 0 | 0 | 0 | 0 | 111.3 | D465 T466 F593 D594 R595 | D465-S591 WeakPolarHBondContact OD2-CB 3.32Å; D465-S591 PolarHBondContact OD2-OG 3.41Å; T466-S591 PolarHBondContact OG1-N 3.26Å; T466-S591 PolarHBondContact OG1-OG 3.4Å; S591-F593 PolarHBondContact O-N 2.88Å; S591-D594 PolarHBondContact O-N 3.49Å; S591-D594 PolarHBondContact OG-N 3.11Å; S591-D594 VanDerWaalsContact OG-N 3.15Å; S591-R595 WeakPolarHBondContact O-CG 3.3Å; S591-R595 PolarHBondContact O-N 3.3Å |
| 592 | P | 97.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -54.2 | -38 | 174.5 | -19.6 | 28.9 | 0 | 0 | 0 | 112.4 | L103 H104 I107 N596 | L103-P592 HydrophobicContact CB-CB 3.83Å; L103-P592 HydrophobicContact CB-CG 4.05Å; H104-P592 HydrophobicContact CB-CG 4.3Å; H104-P592 WeakPolarHBondContact NE2-CD 3.23Å; I107-P592 HydrophobicContact CB-CG 4.08Å; I107-P592 HydrophobicContact CG1-CB 3.94Å; I107-P592 HydrophobicContact CG1-CG 3.83Å; P592-N596 VanDerWaalsContact O-CB 3.32Å; P592-N596 WeakPolarHBondContact O-CB 3.24Å; P592-N596 PolarHBondContact O-N 2.91Å |
| 593 | F | 96 | Very high | 95.3 | Very high | 40 Ų | 40 | 28 Ų | 28 | 18% | 0.175 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.8 | -54.4 | 175.7 | -175.6 | -87.1 | 0 | 0 | 0 | 111.3 | D465 S591 R595 N596 F597 | D465-F593 HydrophobicContact CB-CB 4.27Å; D465-F593 HydrophobicContact CB-CD1 3.7Å; D465-F593 HydrophobicContact CB-CE1 4.45Å; D465-F593 HydrophobicContact CB-CG 4.24Å; S591-F593 PolarHBondContact O-N 2.88Å; F593-R595 VanDerWaalsContact C-N 3.32Å; F593-R595 PolarHBondContact O-N 2.93Å; F593-N596 PolarHBondContact O-N 2.99Å; F593-F597 HydrophobicContact CD1-CB 4.37Å; F593-F597 HydrophobicContact CE1-CB 4.15Å; F593-F597 HydrophobicContact CE1-CD1 4.44Å; F593-F597 HydrophobicContact CE1-CG 4.25Å; F593-F597 WeakPolarHBondContact O-CB 3.38Å; F593-F597 PolarHBondContact O-N 3.31Å |
| 594 | D | 97.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65 | -34.3 | -178.7 | -83.2 | -41.7 | 0 | 0 | 0 | 112.8 | G463 T466 P590 S591 G598 | G463-D594 WeakPolarHBondContact CA-OD2 3.41Å; G463-D594 PolarHBondContact N-OD1 2.92Å; G463-D594 PolarHBondContact N-OD2 3.28Å; T466-D594 VanDerWaalsContact CB-OD2 3.23Å; T466-D594 WeakPolarHBondContact CB-OD2 3.22Å; T466-D594 PolarHBondContact N-OD2 2.87Å; T466-D594 PolarHBondContact OG1-OD2 3.1Å; P590-D594 HydrophobicContact CB-CB 4.38Å; S591-D594 PolarHBondContact O-N 3.49Å; S591-D594 PolarHBondContact OG-N 3.11Å; S591-D594 VanDerWaalsContact OG-N 3.15Å; D594-G598 PolarHBondContact O-N 2.82Å |
| 595 | R | 97.3 | Very high | 95.5 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 1% | 0.011 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.5 | -50 | 173.9 | -67.3 | -173.1 | -154.8 | -162.1 | -0.9 | 111.7 | I107 D111 A143 T382 G383 P590 S591 F593 T599 | I107-R595 VanDerWaalsContact CG2-NH1 3.33Å; D111-R595 IonicContact OD1-CZ 3.66Å; D111-R595 IonicContact OD1-NH1 2.73Å; D111-R595 PolarHBondContact OD1-NH1 3.42Å; D111-R595 IonicContact OD1-NH2 3.78Å; D111-R595 IonicContact OD2-CZ 3.03Å; D111-R595 IonicContact OD2-NH1 3.6Å; D111-R595 PolarHBondContact OD2-NH1 3.46Å; D111-R595 IonicContact OD2-NH2 2.6Å; D111-R595 PolarHBondContact OD2-NH2 2.94Å; A143-R595 HydrophobicContact CB-CB 3.87Å; A143-R595 WeakPolarHBondContact O-CD 3.5Å; T382-R595 HydrophobicContact CG2-CB 4.15Å; T382-R595 HydrophobicContact CG2-CG 4.42Å; T382-R595 WeakPolarHBondContact O-CD 3.34Å; T382-R595 WeakPolarHBondContact O-CG 3.41Å; G383-R595 VanDerWaalsContact CA-CZ 3.47Å; G383-R595 VanDerWaalsContact CA-NH1 3.29Å; P590-R595 HydrophobicContact CB-CG 3.79Å; P590-R595 HydrophobicContact CG-CG 3.62Å; P590-R595 PolarHBondContact O-NE 3.12Å; P590-R595 PolarHBondContact O-NH2 2.8Å; S591-R595 WeakPolarHBondContact O-CG 3.3Å; S591-R595 PolarHBondContact O-N 3.3Å; F593-R595 VanDerWaalsContact C-N 3.32Å; F593-R595 PolarHBondContact O-N 2.93Å; R595-T599 WeakPolarHBondContact O-CB 3.35Å; R595-T599 PolarHBondContact O-N 2.97Å; R595-T599 VanDerWaalsContact O-N 3.1Å; R595-T599 PolarHBondContact O-OG1 3.37Å |
| 596 | N | 95.9 | Very high | 95.6 | Very high | 14 Ų | 14 | 19.6 Ų | 19.6 | 8% | 0.075 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.4 | -47.6 | -179 | -176 | 32.5 | 0 | 0 | 0 | 111 | V139 L142 P592 F593 G598 T599 K600 | V139-N596 HydrophobicContact CG1-CB 4.15Å; L142-N596 WeakPolarHBondContact CD1-OD1 3.43Å; P592-N596 VanDerWaalsContact O-CB 3.32Å; P592-N596 WeakPolarHBondContact O-CB 3.24Å; P592-N596 PolarHBondContact O-N 2.91Å; F593-N596 PolarHBondContact O-N 2.99Å; N596-G598 PolarHBondContact O-N 3.03Å; N596-T599 WeakPolarHBondContact O-CB 3.26Å; N596-T599 PolarHBondContact O-N 3.32Å; N596-K600 VanDerWaalsContact O-CG 3.29Å; N596-K600 WeakPolarHBondContact O-CG 3.36Å; N596-K600 PolarHBondContact O-N 3.33Å; N596-K600 WeakPolarHBondContact OD1-CD 3.4Å |
| 597 | F | 95.3 | Very high | 95.6 | Very high | 21 Ų | 21 | 21.9 Ų | 21.9 | 9% | 0.092 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.2 | -49.7 | 178.6 | -171.6 | -122.6 | 0 | 0 | 0 | 110.4 | L462 F593 T599 K600 V601 M635 M640 | L462-F597 HydrophobicContact CD2-CB 4.2Å; L462-F597 HydrophobicContact CD2-CD1 3.48Å; L462-F597 VanDerWaalsContact CD2-CD1 3.48Å; L462-F597 HydrophobicContact CD2-CE1 4.28Å; L462-F597 HydrophobicContact CD2-CG 4.22Å; L462-F597 HydrophobicContact CG-CD1 4.18Å; F593-F597 HydrophobicContact CD1-CB 4.37Å; F593-F597 HydrophobicContact CE1-CB 4.15Å; F593-F597 HydrophobicContact CE1-CD1 4.44Å; F593-F597 HydrophobicContact CE1-CG 4.25Å; F593-F597 WeakPolarHBondContact O-CB 3.38Å; F593-F597 PolarHBondContact O-N 3.31Å; F597-T599 VanDerWaalsContact C-N 3.31Å; F597-T599 PolarHBondContact O-N 2.76Å; F597-K600 PolarHBondContact O-N 2.94Å; F597-K600 VanDerWaalsContact O-N 3.16Å; F597-V601 HydrophobicContact CD1-CG1 4.4Å; F597-V601 HydrophobicContact CD2-CG1 3.77Å; F597-V601 HydrophobicContact CE1-CG1 4.1Å; F597-V601 HydrophobicContact CE2-CG1 3.42Å; F597-V601 VanDerWaalsContact CE2-CG1 3.42Å; F597-V601 HydrophobicContact CG-CG1 4.23Å; F597-V601 HydrophobicContact CZ-CG1 3.6Å; F597-V601 WeakPolarHBondContact O-CG1 3.37Å; F597-V601 VanDerWaalsContact O-CG2 3.25Å; F597-V601 WeakPolarHBondContact O-CG2 3.44Å; F597-V601 PolarHBondContact O-N 2.84Å; F597-M635 HydrophobicContact CE2-CB 4.42Å; F597-M635 HydrophobicContact CE2-SD 4.07Å; F597-M635 HydrophobicContact CZ-CB 4.18Å; F597-M640 HydrophobicContact CE2-CE 4.47Å; F597-M640 HydrophobicContact CE2-SD 3.96Å; F597-M640 HydrophobicContact CZ-CE 4.48Å; F597-M640 HydrophobicContact CZ-SD 4.39Å |
| 598 | G | 96.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.3 | -43.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A340 D594 N596 A602 | A340-G598 WeakPolarHBondContact CA-O 3.31Å; D594-G598 PolarHBondContact O-N 2.82Å; N596-G598 PolarHBondContact O-N 3.03Å; G598-A602 VanDerWaalsContact O-CB 3.22Å; G598-A602 WeakPolarHBondContact O-CB 3.24Å; G598-A602 PolarHBondContact O-N 2.88Å |
| 599 | T | 95.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.8 | -48.6 | 176.7 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | L142 T305 L309 S343 R595 N596 F597 A603 | L142-T599 HydrophobicContact CD2-CG2 4.27Å; T305-T599 HydrophobicContact CG2-CG2 4.21Å; L309-T599 HydrophobicContact CD1-CG2 3.39Å; S343-T599 WeakPolarHBondContact CB-O 3.07Å; S343-T599 PolarHBondContact OG-O 2.88Å; R595-T599 WeakPolarHBondContact O-CB 3.35Å; R595-T599 PolarHBondContact O-N 2.97Å; R595-T599 VanDerWaalsContact O-N 3.1Å; R595-T599 PolarHBondContact O-OG1 3.37Å; N596-T599 WeakPolarHBondContact O-CB 3.26Å; N596-T599 PolarHBondContact O-N 3.32Å; F597-T599 VanDerWaalsContact C-N 3.31Å; F597-T599 PolarHBondContact O-N 2.76Å; T599-A603 WeakPolarHBondContact O-CB 3.28Å; T599-A603 PolarHBondContact O-N 2.85Å; T599-A603 VanDerWaalsContact O-N 3.12Å |
| 600 | K | 94 | Very high | 96.4 | Very high | 46 Ų | 46 | 17.2 Ų | 17.2 | 20% | 0.2 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67.9 | -48.4 | -177.7 | -68.5 | 169 | 67.3 | 165.1 | 0 | 113.2 | N302 T305 N596 F597 A602 A603 K604 | N302-K600 WeakPolarHBondContact OD1-CD 3.32Å; N302-K600 WeakPolarHBondContact OD1-CE 3.37Å; N302-K600 PolarHBondContact OD1-NZ 2.97Å; T305-K600 HydrophobicContact CG2-CG 4.4Å; N596-K600 VanDerWaalsContact O-CG 3.29Å; N596-K600 WeakPolarHBondContact O-CG 3.36Å; N596-K600 PolarHBondContact O-N 3.33Å; N596-K600 WeakPolarHBondContact OD1-CD 3.4Å; F597-K600 PolarHBondContact O-N 2.94Å; F597-K600 VanDerWaalsContact O-N 3.16Å; K600-A602 VanDerWaalsContact C-N 3.31Å; K600-A602 PolarHBondContact O-N 3.05Å; K600-A603 PolarHBondContact O-N 3.27Å; K600-K604 PolarHBondContact O-N 3.39Å |
| 601 | V | 95.1 | Very high | 96.4 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 4% | 0.042 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66 | -38 | -176.3 | -60.2 | 0 | 0 | 0 | 0 | 111 | L447 L462 F597 K604 A605 L633 M640 | L447-V601 HydrophobicContact CD1-CG2 4.3Å; L462-V601 HydrophobicContact CD1-CG2 4.27Å; F597-V601 HydrophobicContact CD1-CG1 4.4Å; F597-V601 HydrophobicContact CD2-CG1 3.77Å; F597-V601 HydrophobicContact CE1-CG1 4.1Å; F597-V601 HydrophobicContact CE2-CG1 3.42Å; F597-V601 VanDerWaalsContact CE2-CG1 3.42Å; F597-V601 HydrophobicContact CG-CG1 4.23Å; F597-V601 HydrophobicContact CZ-CG1 3.6Å; F597-V601 WeakPolarHBondContact O-CG1 3.37Å; F597-V601 VanDerWaalsContact O-CG2 3.25Å; F597-V601 WeakPolarHBondContact O-CG2 3.44Å; F597-V601 PolarHBondContact O-N 2.84Å; V601-K604 PolarHBondContact O-N 3Å; V601-A605 VanDerWaalsContact O-CB 3.28Å; V601-A605 WeakPolarHBondContact O-CB 3.35Å; V601-A605 PolarHBondContact O-N 3.43Å; V601-L633 HydrophobicContact CB-CD2 4.38Å; V601-L633 VanDerWaalsContact O-CD2 3.25Å; V601-L633 WeakPolarHBondContact O-CD2 3.46Å; V601-M640 HydrophobicContact CB-CE 4.24Å; V601-M640 HydrophobicContact CG1-CE 3.44Å; V601-M640 VanDerWaalsContact CG1-CE 3.44Å; V601-M640 HydrophobicContact CG1-SD 4.13Å |
| 602 | A | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.4 | -40.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A340 A344 L447 G598 K600 A605 I606 | A340-A602 HydrophobicContact CB-CB 4.03Å; A340-A602 WeakPolarHBondContact O-CB 3.47Å; A344-A602 HydrophobicContact CB-CB 4.18Å; L447-A602 HydrophobicContact CD1-CB 3.83Å; G598-A602 VanDerWaalsContact O-CB 3.22Å; G598-A602 WeakPolarHBondContact O-CB 3.24Å; G598-A602 PolarHBondContact O-N 2.88Å; K600-A602 VanDerWaalsContact C-N 3.31Å; K600-A602 PolarHBondContact O-N 3.05Å; A602-A605 PolarHBondContact O-N 3.02Å; A602-I606 WeakPolarHBondContact O-CG1 3.33Å; A602-I606 PolarHBondContact O-N 2.76Å |
| 603 | A | 95.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 23 Ų | 23 | 2% | 0.017 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.6 | -48.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T305 V347 T599 K600 A605 I606 Q607 | T305-A603 HydrophobicContact CG2-CB 4.06Å; V347-A603 HydrophobicContact CG2-CB 3.84Å; T599-A603 WeakPolarHBondContact O-CB 3.28Å; T599-A603 PolarHBondContact O-N 2.85Å; T599-A603 VanDerWaalsContact O-N 3.12Å; K600-A603 PolarHBondContact O-N 3.27Å; A603-A605 VanDerWaalsContact C-N 3.33Å; A603-A605 PolarHBondContact O-N 2.95Å; A603-I606 PolarHBondContact O-N 3.3Å; A603-Q607 WeakPolarHBondContact O-CG 3.48Å; A603-Q607 PolarHBondContact O-N 3.5Å |
| 604 | K | 95.7 | Very high | 96.1 | Very high | 80 Ų | 80 | 27.2 Ų | 27.2 | 35% | 0.348 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -62.6 | -38.5 | 177.2 | -179.3 | 163.9 | 174.7 | 166.3 | 0 | 112.4 | K600 V601 Q607 W608 L633 M640 F642 | K600-K604 PolarHBondContact O-N 3.39Å; V601-K604 PolarHBondContact O-N 3Å; K604-Q607 PolarHBondContact O-N 3.47Å; K604-W608 PolarHBondContact O-N 2.88Å; K604-L633 HydrophobicContact CB-CD2 4.29Å; K604-L633 HydrophobicContact CG-CD2 4.27Å; K604-M640 HydrophobicContact CD-CB 3.87Å; K604-M640 HydrophobicContact CD-CG 4.5Å; K604-M640 PolarHBondContact NZ-O 2.91Å; K604-F642 HydrophobicContact CG-CE2 4.25Å; K604-F642 HydrophobicContact CG-CZ 4.21Å |
| 605 | A | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L416 L447 V601 A602 A603 W608 I609 L633 | L416-A605 HydrophobicContact CD1-CB 3.96Å; L447-A605 HydrophobicContact CD1-CB 4.45Å; L447-A605 HydrophobicContact CD2-CB 3.67Å; V601-A605 VanDerWaalsContact O-CB 3.28Å; V601-A605 WeakPolarHBondContact O-CB 3.35Å; V601-A605 PolarHBondContact O-N 3.43Å; A602-A605 PolarHBondContact O-N 3.02Å; A603-A605 VanDerWaalsContact C-N 3.33Å; A603-A605 PolarHBondContact O-N 2.95Å; A605-W608 PolarHBondContact O-N 3.1Å; A605-I609 WeakPolarHBondContact O-CB 3.46Å; A605-I609 WeakPolarHBondContact O-CG1 3.4Å; A605-I609 PolarHBondContact O-N 3.04Å; A605-L633 HydrophobicContact CB-CD2 3.86Å |
| 606 | I | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.9 | -45.4 | 175.2 | -67 | -63 | 0 | 0 | 0 | 111.1 | V325 A344 V347 E351 M355 L416 A602 A603 W608 I609 T610 | V325-I606 HydrophobicContact CG1-CD1 4.33Å; A344-I606 HydrophobicContact CB-CD1 4.12Å; A344-I606 HydrophobicContact CB-CG1 3.93Å; V347-I606 HydrophobicContact CB-CB 4.34Å; V347-I606 HydrophobicContact CB-CG2 4.26Å; V347-I606 HydrophobicContact CG1-CB 3.93Å; V347-I606 HydrophobicContact CG1-CG2 3.71Å; E351-I606 HydrophobicContact CG-CG2 4.48Å; M355-I606 HydrophobicContact CE-CD1 4.14Å; L416-I606 HydrophobicContact CD2-CD1 4.06Å; A602-I606 WeakPolarHBondContact O-CG1 3.33Å; A602-I606 PolarHBondContact O-N 2.76Å; A603-I606 PolarHBondContact O-N 3.3Å; I606-W608 PolarHBondContact O-N 3.36Å; I606-I609 HydrophobicContact CD1-CD1 4.35Å; I606-I609 CarbonylContact O-C 3.58Å; I606-I609 WeakPolarHBondContact O-CA 3.49Å; I606-I609 WeakPolarHBondContact O-CB 3.5Å; I606-I609 PolarHBondContact O-N 3.01Å; I606-T610 PolarHBondContact O-N 3Å; I606-T610 PolarHBondContact O-OG1 2.89Å |
| 607 | Q | 95.1 | Very high | 95.5 | Very high | 91 Ų | 91 | 37.2 Ų | 37.2 | 43% | 0.425 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -57.3 | -39.7 | 176.7 | -71.7 | 178.6 | -38.7 | 0 | 0 | 112.3 | L308 V347 A603 K604 K611 | L308-Q607 HydrophobicContact CD2-CG 4.48Å; V347-Q607 HydrophobicContact CG1-CG 4.45Å; A603-Q607 WeakPolarHBondContact O-CG 3.48Å; A603-Q607 PolarHBondContact O-N 3.5Å; K604-Q607 PolarHBondContact O-N 3.47Å; Q607-K611 PolarHBondContact O-N 3.17Å |
| 608 | W | 97.2 | Very high | 95 | Very high | 39 Ų | 39 | 43.3 Ų | 43.3 | 15% | 0.148 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.8 | -48.4 | 172.2 | 175.3 | 87.2 | 0 | 0 | 0 | 111.9 | C445 K604 A605 I606 T610 K611 T612 D628 C631 F642 | C445-W608 HydrophobicContact CB-CE3 4.15Å; C445-W608 HydrophobicContact CB-CZ3 3.78Å; K604-W608 PolarHBondContact O-N 2.88Å; A605-W608 PolarHBondContact O-N 3.1Å; I606-W608 PolarHBondContact O-N 3.36Å; W608-T610 VanDerWaalsContact C-N 3.28Å; W608-T610 PolarHBondContact O-N 3.35Å; W608-K611 WeakPolarHBondContact O-CB 3.43Å; W608-K611 PolarHBondContact O-N 3.34Å; W608-K611 VanDerWaalsContact O-N 3.12Å; W608-T612 PolarHBondContact O-N 2.99Å; W608-T612 PolarHBondContact O-OG1 3.34Å; W608-D628 WeakPolarHBondContact CZ2-O 3.44Å; W608-C631 HydrophobicContact CH2-CB 4.06Å; W608-C631 HydrophobicContact CZ2-CB 4.05Å; W608-F642 HydrophobicContact CB-CD1 4.45Å; W608-F642 HydrophobicContact CB-CD2 4.49Å; W608-F642 HydrophobicContact CB-CE1 3.61Å; W608-F642 HydrophobicContact CB-CE2 3.66Å; W608-F642 HydrophobicContact CB-CZ 3.16Å; W608-F642 AromaticContact CD1-CD2 3.71Å; W608-F642 AromaticContact CD1-CE2 3.71Å; W608-F642 AromaticContact CD1-CG 3.88Å; W608-F642 AromaticContact CD1-CZ 3.89Å; W608-F642 AromaticContact CD2-CD1 3.68Å; W608-F642 HydrophobicContact CD2-CD1 3.68Å; W608-F642 AromaticContact CD2-CE1 3.54Å; W608-F642 HydrophobicContact CD2-CE1 3.54Å; W608-F642 HydrophobicContact CD2-CG 4.27Å; W608-F642 HydrophobicContact CD2-CZ 4.03Å; W608-F642 AromaticContact CE2-CD1 3.88Å; W608-F642 HydrophobicContact CE3-CD1 4.12Å; W608-F642 AromaticContact CE3-CE1 3.83Å; W608-F642 HydrophobicContact CE3-CE1 3.83Å; W608-F642 AromaticContact CG-CD1 3.81Å; W608-F642 HydrophobicContact CG-CD1 3.81Å; W608-F642 HydrophobicContact CG-CD2 4.05Å; W608-F642 AromaticContact CG-CE1 3.43Å; W608-F642 HydrophobicContact CG-CE1 3.43Å; W608-F642 VanDerWaalsContact CG-CE1 3.43Å; W608-F642 AromaticContact CG-CE2 3.7Å; W608-F642 HydrophobicContact CG-CE2 3.7Å; W608-F642 HydrophobicContact CG-CG 4.11Å; W608-F642 AromaticContact CG-CZ 3.39Å; W608-F642 HydrophobicContact CG-CZ 3.39Å; W608-F642 HydrophobicContact CZ2-CD1 4.47Å; W608-F642 AromaticContact NE1-CG 3.9Å |
| 609 | I | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54 | -46.6 | 174.8 | -75.8 | 174.7 | 0 | 0 | 0 | 110.3 | V325 A414 L416 C445 A605 I606 K611 T612 L613 | V325-I609 HydrophobicContact CG1-CG2 4.43Å; V325-I609 HydrophobicContact CG2-CG2 4.37Å; A414-I609 HydrophobicContact CB-CG2 3.53Å; L416-I609 HydrophobicContact CB-CD1 4.12Å; L416-I609 HydrophobicContact CD1-CD1 4.26Å; C445-I609 HydrophobicContact CB-CD1 4.06Å; C445-I609 HydrophobicContact CB-CG1 4.28Å; A605-I609 WeakPolarHBondContact O-CB 3.46Å; A605-I609 WeakPolarHBondContact O-CG1 3.4Å; A605-I609 PolarHBondContact O-N 3.04Å; I606-I609 HydrophobicContact CD1-CD1 4.35Å; I606-I609 CarbonylContact O-C 3.58Å; I606-I609 WeakPolarHBondContact O-CA 3.49Å; I606-I609 WeakPolarHBondContact O-CB 3.5Å; I606-I609 PolarHBondContact O-N 3.01Å; I609-K611 PolarHBondContact O-N 3.11Å; I609-T612 PolarHBondContact O-N 3.45Å; I609-L613 HydrophobicContact CG2-CD1 3.58Å; I609-L613 HydrophobicContact CG2-CG 4.05Å; I609-L613 VanDerWaalsContact O-CB 3.25Å; I609-L613 WeakPolarHBondContact O-CB 3.47Å; I609-L613 WeakPolarHBondContact O-CG 3.24Å; I609-L613 PolarHBondContact O-N 2.86Å |
| 610 | T | 95.7 | Very high | 93.6 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 3% | 0.025 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.2 | -45.4 | 178.3 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | E351 H353 I606 W608 K614 | E351-T610 HydrophobicContact CB-CG2 4.22Å; E351-T610 HydrophobicContact CG-CG2 4.38Å; H353-T610 WeakPolarHBondContact NE2-CB 3.37Å; H353-T610 PolarHBondContact NE2-OG1 3.4Å; I606-T610 PolarHBondContact O-N 3Å; I606-T610 PolarHBondContact O-OG1 2.89Å; W608-T610 VanDerWaalsContact C-N 3.28Å; W608-T610 PolarHBondContact O-N 3.35Å; T610-K614 HydrophobicContact CG2-CD 4.37Å; T610-K614 WeakPolarHBondContact O-CG 3.49Å; T610-K614 PolarHBondContact O-N 3.17Å; T610-K614 VanDerWaalsContact O-N 3.11Å |
| 611 | K | 95.6 | Very high | 93.3 | Very high | 127 Ų | 127 | 59.5 Ų | 59.5 | 55% | 0.552 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.8 | -51.1 | 176 | -179.5 | -178.1 | 171.8 | -177.5 | 0 | 110.8 | Q607 W608 I609 L613 K614 E615 | Q607-K611 PolarHBondContact O-N 3.17Å; W608-K611 WeakPolarHBondContact O-CB 3.43Å; W608-K611 PolarHBondContact O-N 3.34Å; W608-K611 VanDerWaalsContact O-N 3.12Å; I609-K611 PolarHBondContact O-N 3.11Å; K611-L613 VanDerWaalsContact C-N 3.31Å; K611-L613 PolarHBondContact O-N 3.11Å; K611-K614 PolarHBondContact O-N 2.92Å; K611-E615 WeakPolarHBondContact CE-OE1 3.31Å; K611-E615 IonicContact NZ-OE1 3.44Å; K611-E615 WeakPolarHBondContact O-CG 3.48Å; K611-E615 PolarHBondContact O-N 3.42Å |
| 612 | T | 96.4 | Very high | 93.2 | Very high | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.043 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.3 | -36.2 | -178.7 | -51.1 | 0 | 0 | 0 | 0 | 111.9 | P443 W608 I609 E615 S616 T629 | P443-T612 HydrophobicContact CB-CG2 3.92Å; P443-T612 HydrophobicContact CG-CG2 3.73Å; W608-T612 PolarHBondContact O-N 2.99Å; W608-T612 PolarHBondContact O-OG1 3.34Å; I609-T612 PolarHBondContact O-N 3.45Å; T612-E615 PolarHBondContact O-N 3.35Å; T612-S616 WeakPolarHBondContact O-CB 3.35Å; T612-S616 PolarHBondContact O-N 3.04Å; T612-S616 PolarHBondContact O-OG 3.36Å; T612-T629 HydrophobicContact CG2-CG2 3.57Å |
| 613 | L | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.3 | -49.1 | 172.8 | -80.8 | 169.6 | 0 | 0 | 0 | 111.2 | F323 V325 T413 A414 P443 I609 K611 E615 S616 Y617 V622 | F323-L613 HydrophobicContact CB-CD1 4Å; F323-L613 HydrophobicContact CD1-CD2 4.23Å; F323-L613 HydrophobicContact CD2-CB 4.05Å; F323-L613 HydrophobicContact CD2-CD1 4Å; F323-L613 HydrophobicContact CE2-CB 3.95Å; F323-L613 HydrophobicContact CG-CB 4.43Å; F323-L613 HydrophobicContact CG-CD1 4.01Å; F323-L613 HydrophobicContact CG-CD2 4.28Å; F323-L613 HydrophobicContact CZ-CB 4.25Å; V325-L613 HydrophobicContact CG2-CD1 4.17Å; T413-L613 VanDerWaalsContact O-CD2 3.29Å; T413-L613 WeakPolarHBondContact O-CD2 3.43Å; A414-L613 HydrophobicContact CB-CD1 4.14Å; A414-L613 HydrophobicContact CB-CD2 4.04Å; A414-L613 HydrophobicContact CB-CG 4.26Å; P443-L613 HydrophobicContact CG-CD2 4.16Å; P443-L613 HydrophobicContact CG-CG 4.3Å; I609-L613 HydrophobicContact CG2-CD1 3.58Å; I609-L613 HydrophobicContact CG2-CG 4.05Å; I609-L613 VanDerWaalsContact O-CB 3.25Å; I609-L613 WeakPolarHBondContact O-CB 3.47Å; I609-L613 WeakPolarHBondContact O-CG 3.24Å; I609-L613 PolarHBondContact O-N 2.86Å; K611-L613 VanDerWaalsContact C-N 3.31Å; K611-L613 PolarHBondContact O-N 3.11Å; L613-E615 VanDerWaalsContact C-N 3.34Å; L613-E615 PolarHBondContact O-N 2.88Å; L613-S616 CarbonylContact O-C 3.6Å; L613-S616 PolarHBondContact O-N 3.19Å; L613-Y617 WeakPolarHBondContact O-CB 3.42Å; L613-Y617 PolarHBondContact O-N 3.07Å; L613-V622 HydrophobicContact CD2-CB 4.46Å; L613-V622 HydrophobicContact CD2-CG1 3.92Å; L613-V622 HydrophobicContact CD2-CG2 3.81Å |
| 614 | K | 93.3 | Very high | 93 | Very high | 129 Ų | 129 | 64.8 Ų | 64.8 | 56% | 0.561 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.4 | -41.5 | 178.4 | -72 | 171 | -178.8 | 172.4 | 0 | 111.8 | F323 T610 K611 | F323-K614 HydrophobicContact CE2-CG 4.42Å; T610-K614 HydrophobicContact CG2-CD 4.37Å; T610-K614 WeakPolarHBondContact O-CG 3.49Å; T610-K614 PolarHBondContact O-N 3.17Å; T610-K614 VanDerWaalsContact O-N 3.11Å; K611-K614 PolarHBondContact O-N 2.92Å |
| 615 | E | 94 | Very high | 92.9 | Very high | 121 Ų | 121 | 66.1 Ų | 66.1 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -70.3 | -32.3 | 177.8 | -69.6 | 170.2 | 173.3 | 0 | 0 | 113 | K611 T612 L613 | K611-E615 WeakPolarHBondContact CE-OE1 3.31Å; K611-E615 IonicContact NZ-OE1 3.44Å; K611-E615 WeakPolarHBondContact O-CG 3.48Å; K611-E615 PolarHBondContact O-N 3.42Å; T612-E615 PolarHBondContact O-N 3.35Å; L613-E615 VanDerWaalsContact C-N 3.34Å; L613-E615 PolarHBondContact O-N 2.88Å |
| 616 | S | 93.1 | Very high | 92.7 | Very high | 11 Ų | 11 | 68.3 Ų | 68.3 | 8% | 0.077 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -91.7 | -1.9 | -177.9 | -53.1 | 0 | 0 | 0 | 0 | 113.6 | T612 L613 K618 F623 | T612-S616 WeakPolarHBondContact O-CB 3.35Å; T612-S616 PolarHBondContact O-N 3.04Å; T612-S616 PolarHBondContact O-OG 3.36Å; L613-S616 CarbonylContact O-C 3.6Å; L613-S616 PolarHBondContact O-N 3.19Å; S616-K618 PolarHBondContact O-N 2.89Å; S616-F623 PolarHBondContact O-N 3.31Å |
| 617 | Y | 92.1 | Very high | 92.6 | Very high | 96 Ų | 96 | 71.7 Ų | 71.7 | 38% | 0.376 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 113.9 | -179 | -171.9 | -111.4 | 0 | 0 | 0 | 111.1 | F323 L613 V622 | F323-Y617 AromaticContact CE1-CD2 3.5Å; F323-Y617 HydrophobicContact CE1-CD2 3.5Å; F323-Y617 VanDerWaalsContact CE1-CD2 3.5Å; F323-Y617 AromaticContact CE1-CE2 3.91Å; F323-Y617 HydrophobicContact CE1-CE2 3.91Å; F323-Y617 AromaticContact CE1-CG 3.97Å; F323-Y617 HydrophobicContact CE1-CG 3.97Å; F323-Y617 HydrophobicContact CZ-CD2 4.03Å; F323-Y617 HydrophobicContact CZ-CG 4.01Å; L613-Y617 WeakPolarHBondContact O-CB 3.42Å; L613-Y617 PolarHBondContact O-N 3.07Å; Y617-V622 HydrophobicContact CD2-CG2 3.89Å |
| 618 | K | 85.4 | Confident | 92.6 | Very high | 150 Ų | 150 | 71.8 Ų | 71.8 | 65% | 0.652 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 137.2 | -180 | -65.2 | 180 | -178.6 | 174.3 | 0 | 110 | S616 G620 R621 | S616-K618 PolarHBondContact O-N 2.89Å; K618-G620 PolarHBondContact O-N 3.25Å; K618-G620 VanDerWaalsContact O-N 3.13Å; K618-R621 PolarHBondContact N-O 2.94Å; K618-R621 WeakPolarHBondContact O-CG 3.46Å; K618-R621 PolarHBondContact O-N 2.78Å |
| 619 | E | 81.1 | Confident | 92.6 | Very high | 184 Ų | 184 | 70.5 Ų | 70.5 | 86% | 0.86 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 35.3 | 174.5 | -57.7 | 177.2 | 167.3 | 0 | 0 | 114.3 | R621 | E619-R621 VanDerWaalsContact C-N 3.35Å; E619-R621 PolarHBondContact O-N 3.28Å |
| 620 | G | 80.6 | Confident | 92.6 | Very high | 57 Ų | 57 | 70.5 Ų | 70.5 | 59% | 0.588 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | 5.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | K618 | K618-G620 PolarHBondContact O-N 3.25Å; K618-G620 VanDerWaalsContact O-N 3.13Å |
| 621 | R | 87.9 | Confident | 92.7 | Very high | 144 Ų | 144 | 70.4 Ų | 70.4 | 54% | 0.543 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 153.6 | 176 | 63.7 | 177.3 | 179.8 | -179.8 | -1.8 | 112 | K618 E619 | K618-R621 PolarHBondContact N-O 2.94Å; K618-R621 WeakPolarHBondContact O-CG 3.46Å; K618-R621 PolarHBondContact O-N 2.78Å; E619-R621 VanDerWaalsContact C-N 3.35Å; E619-R621 PolarHBondContact O-N 3.28Å |
| 622 | V | 92.3 | Very high | 92.9 | Very high | 18 Ų | 18 | 64.4 Ų | 64.4 | 11% | 0.109 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 128.9 | 168.7 | 177 | 0 | 0 | 0 | 0 | 108.1 | F323 T413 I442 P443 L613 Y617 | F323-V622 HydrophobicContact CD1-CG2 3.83Å; F323-V622 HydrophobicContact CE1-CG2 3.59Å; T413-V622 HydrophobicContact CG2-CB 4.46Å; T413-V622 HydrophobicContact CG2-CG2 4.15Å; I442-V622 HydrophobicContact CG2-CG1 4.45Å; P443-V622 HydrophobicContact CG-CG1 4.42Å; L613-V622 HydrophobicContact CD2-CB 4.46Å; L613-V622 HydrophobicContact CD2-CG1 3.92Å; L613-V622 HydrophobicContact CD2-CG2 3.81Å; Y617-V622 HydrophobicContact CD2-CG2 3.89Å |
| 623 | F | 95.2 | Very high | 92.9 | Very high | 88 Ų | 88 | 64.2 Ų | 64.2 | 39% | 0.386 | 32% | 0.316 | S | S | . | . | trans | -148.1 | 123.8 | 172.9 | -178.7 | -90.6 | 0 | 0 | 0 | 111.1 | C441 S616 | C441-F623 HydrophobicContact CB-CD2 3.61Å; C441-F623 HydrophobicContact CB-CE2 3.43Å; C441-F623 VanDerWaalsContact CB-CE2 3.43Å; C441-F623 HydrophobicContact CB-CG 4.44Å; C441-F623 HydrophobicContact CB-CZ 4.13Å; C441-F623 CarbonylContact O-C 3.52Å; C441-F623 WeakPolarHBondContact O-CA 3.4Å; S616-F623 PolarHBondContact O-N 3.31Å | ||
| 624 | T | 94.3 | Very high | 92.8 | Very high | 14 Ų | 14 | 64.2 Ų | 64.2 | 9% | 0.086 | 32% | 0.316 | C | S | . | . | trans | -148.8 | 136.6 | 171.4 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | C441 P443 S626 T629 | C441-T624 CarbonylContact C-O 3.56Å; C441-T624 WeakPolarHBondContact CA-O 3.3Å; C441-T624 VanDerWaalsContact CB-O 3.28Å; C441-T624 WeakPolarHBondContact CB-O 3.31Å; C441-T624 PolarHBondContact O-N 3.49Å; P443-T624 HydrophobicContact CG-CG2 4.17Å; T624-S626 PolarHBondContact OG1-N 3.35Å; T624-T629 HydrophobicContact CG2-CG2 3.82Å; T624-T629 WeakPolarHBondContact CG2-OG1 3.47Å; T624-T629 WeakPolarHBondContact OG1-CG2 3.45Å; T624-T629 PolarHBondContact OG1-OG1 3.48Å; T624-T629 VanDerWaalsContact OG1-OG1 3.11Å | ||
| 625 | N | 93.1 | Very high | 92.7 | Very high | 108 Ų | 108 | 59.6 Ų | 59.6 | 58% | 0.578 | 30% | 0.297 | S | S | * | . | trans | -118.5 | 2.1 | 174 | 70.7 | -12 | 0 | 0 | 0 | 112.9 | R434 | R434-N625 PolarHBondContact NH1-O 2.91Š| ||
| 626 | S | 94.4 | Very high | 92.3 | Very high | 46 Ų | 46 | 58.9 Ų | 58.9 | 32% | 0.322 | 29% | 0.289 | S | S | . | . | trans | -66.4 | 143.3 | -180 | 179.9 | 0 | 0 | 0 | 0 | 111 | R434 T624 D628 T629 | R434-S626 PolarHBondContact NH1-O 3.22Å; T624-S626 PolarHBondContact OG1-N 3.35Å; S626-D628 PolarHBondContact O-N 3.41Å; S626-D628 PolarHBondContact OG-N 3.3Å; S626-T629 PolarHBondContact O-N 2.8Å; S626-T629 VanDerWaalsContact O-N 3.15Å; S626-T629 PolarHBondContact O-OG1 3.24Å | ||
| 627 | E | 95.2 | Very high | 91.7 | Very high | 71 Ų | 71 | 66.2 Ų | 66.2 | 33% | 0.332 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -57.6 | -33.7 | 172.8 | 62.8 | 179.1 | -156.2 | 0 | 0 | 112.4 | Y431 T629 A630 P644 Q647 | Y431-E627 HydrophobicContact CE2-CB 4.11Å; E627-T629 PolarHBondContact O-N 3.5Å; E627-A630 PolarHBondContact O-N 2.94Å; E627-P644 HydrophobicContact CB-CB 4.12Å; E627-P644 HydrophobicContact CG-CB 4.34Å; E627-P644 HydrophobicContact CG-CG 4.38Å; E627-Q647 PolarHBondContact OE1-NE2 3.46Å |
| 628 | D | 95.6 | Very high | 91 | Very high | 94 Ų | 94 | 68.3 Ų | 68.3 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -66.6 | 0.1 | 178.1 | -60.6 | -41.9 | 0 | 0 | 0 | 114.3 | W608 S626 C631 P644 | W608-D628 WeakPolarHBondContact CZ2-O 3.44Å; S626-D628 PolarHBondContact O-N 3.41Å; S626-D628 PolarHBondContact OG-N 3.3Å; D628-C631 VanDerWaalsContact C-SG 3.5Å; D628-C631 PolarHBondContact O-SG 3.43Å; D628-P644 WeakPolarHBondContact OD1-CG 3.31Å |
| 629 | T | 96.8 | Very high | 90.9 | Very high | 11 Ų | 11 | 63.3 Ų | 63.3 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -113.3 | 2.2 | 176.7 | 66 | 0 | 0 | 0 | 0 | 113.5 | R434 P443 M444 T612 T624 S626 E627 | R434-T629 PolarHBondContact NH1-OG1 3.49Å; R434-T629 PolarHBondContact NH2-O 3.14Å; R434-T629 PolarHBondContact NH2-OG1 3.09Å; P443-T629 CarbonylContact C-O 3.46Å; P443-T629 WeakPolarHBondContact CA-O 3.25Å; M444-T629 PolarHBondContact N-O 2.78Å; T612-T629 HydrophobicContact CG2-CG2 3.57Å; T624-T629 HydrophobicContact CG2-CG2 3.82Å; T624-T629 WeakPolarHBondContact CG2-OG1 3.47Å; T624-T629 WeakPolarHBondContact OG1-CG2 3.45Å; T624-T629 PolarHBondContact OG1-OG1 3.48Å; T624-T629 VanDerWaalsContact OG1-OG1 3.11Å; S626-T629 PolarHBondContact O-N 2.8Å; S626-T629 VanDerWaalsContact O-N 3.15Å; S626-T629 PolarHBondContact O-OG1 3.24Å; E627-T629 PolarHBondContact O-N 3.5Å |
| 630 | A | 97.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 86 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y431 M444 E627 P644 V645 | Y431-A630 HydrophobicContact CD2-CB 3.79Å; Y431-A630 HydrophobicContact CG-CB 4.36Å; M444-A630 HydrophobicContact CE-CB 4.13Å; M444-A630 WeakPolarHBondContact O-CA 3.35Å; E627-A630 PolarHBondContact O-N 2.94Å; A630-P644 WeakPolarHBondContact O-CA 3.39Å; A630-V645 HydrophobicContact CB-CG2 4.31Å; A630-V645 PolarHBondContact O-N 3.48Å |
| 631 | C | 98.1 | Very high | 92 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.02 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 148.9 | -163.6 | -69.9 | 0 | 0 | 0 | 0 | 113.4 | M444 C445 I446 W608 D628 F642 Q643 | M444-C631 PolarHBondContact O-N 2.78Å; C445-C631 CarbonylContact C-O 3.45Å; C445-C631 VanDerWaalsContact CA-O 3.23Å; C445-C631 WeakPolarHBondContact CA-O 2.9Å; I446-C631 PolarHBondContact N-O 3.07Å; W608-C631 HydrophobicContact CH2-CB 4.06Å; W608-C631 HydrophobicContact CZ2-CB 4.05Å; D628-C631 VanDerWaalsContact C-SG 3.5Å; D628-C631 PolarHBondContact O-SG 3.43Å; C631-F642 HydrophobicContact CB-CB 4.11Å; C631-F642 HydrophobicContact CB-CD1 4.29Å; C631-Q643 CarbonylContact C-O 3.48Å; C631-Q643 VanDerWaalsContact CA-O 3.26Å; C631-Q643 WeakPolarHBondContact CA-O 3.21Å |
| 632 | L | 97.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 127.3 | 163.6 | -178.2 | 146.8 | 0 | 0 | 0 | 109.8 | F424 I446 P448 V455 P456 F642 Q643 V645 L648 | F424-L632 HydrophobicContact CD2-CD1 4.22Å; I446-L632 HydrophobicContact CD1-CD1 4.49Å; I446-L632 VanDerWaalsContact CG2-CA 3.4Å; I446-L632 HydrophobicContact CG2-CB 3.46Å; I446-L632 VanDerWaalsContact CG2-CB 3.46Å; I446-L632 HydrophobicContact CG2-CD1 3.88Å; I446-L632 HydrophobicContact CG2-CG 3.74Å; P448-L632 HydrophobicContact CG-CD1 3.88Å; P448-L632 HydrophobicContact CG-CD2 3.86Å; P448-L632 HydrophobicContact CG-CG 3.85Å; V455-L632 HydrophobicContact CG1-CD1 3.56Å; P456-L632 VanDerWaalsContact O-CD1 3.31Å; P456-L632 WeakPolarHBondContact O-CD1 3.2Å; L632-F642 WeakPolarHBondContact O-CA 3.08Å; L632-Q643 PolarHBondContact N-O 3.26Å; L632-Q643 PolarHBondContact O-N 3.36Å; L632-V645 HydrophobicContact CB-CG1 4.29Å; L632-L648 HydrophobicContact CB-CD1 3.73Å; L632-L648 HydrophobicContact CD1-CD1 4.04Å; L632-L648 HydrophobicContact CD2-CD1 4.19Å; L632-L648 HydrophobicContact CG-CD1 4.22Å |
| 633 | L | 97.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 103 | 170.6 | 178.8 | 58.2 | 0 | 0 | 0 | 109.4 | I446 L447 P448 V601 K604 A605 M640 F642 | I446-L633 PolarHBondContact O-N 3.48Å; L447-L633 HydrophobicContact CD2-CB 3.91Å; L447-L633 HydrophobicContact CD2-CD2 4.02Å; L447-L633 HydrophobicContact CD2-CG 4.41Å; P448-L633 VanDerWaalsContact CD-O 3.23Å; P448-L633 WeakPolarHBondContact CD-O 3.44Å; V601-L633 HydrophobicContact CB-CD2 4.38Å; V601-L633 VanDerWaalsContact O-CD2 3.25Å; V601-L633 WeakPolarHBondContact O-CD2 3.46Å; K604-L633 HydrophobicContact CB-CD2 4.29Å; K604-L633 HydrophobicContact CG-CD2 4.27Å; A605-L633 HydrophobicContact CB-CD2 3.86Å; L633-M640 HydrophobicContact CD1-CB 4.15Å; L633-M640 HydrophobicContact CD1-CE 3.87Å; L633-M640 HydrophobicContact CD2-CE 4.32Å; L633-M640 HydrophobicContact CG-CE 3.76Å; L633-F642 HydrophobicContact CB-CD1 4Å; L633-F642 HydrophobicContact CB-CE1 3.78Å; L633-F642 HydrophobicContact CB-CZ 4.38Å; L633-F642 HydrophobicContact CD1-CD1 4.08Å; L633-F642 HydrophobicContact CD1-CD2 3.99Å; L633-F642 HydrophobicContact CD1-CE1 3.85Å; L633-F642 HydrophobicContact CD1-CE2 3.76Å; L633-F642 HydrophobicContact CD1-CG 4.14Å; L633-F642 HydrophobicContact CD1-CZ 3.67Å; L633-F642 HydrophobicContact CD2-CE1 3.95Å; L633-F642 HydrophobicContact CD2-CZ 3.79Å; L633-F642 HydrophobicContact CG-CE1 4.06Å; L633-F642 HydrophobicContact CG-CZ 4.15Å |
| 634 | G | 93.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 156.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M640 V641 | G634-M640 WeakPolarHBondContact O-CA 3.43Å; G634-V641 PolarHBondContact N-O 3.38Å; G634-V641 PolarHBondContact O-N 3.01Å |
| 635 | M | 89.9 | Confident | 92.9 | Very high | 32 Ų | 32 | 47.3 Ų | 47.3 | 16% | 0.158 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 120.3 | 168.7 | -168.9 | 169.2 | 71.2 | 0 | 0 | 108.8 | T458 D459 H460 F597 A639 M640 | T458-M635 PolarHBondContact OG1-N 3.38Å; D459-M635 WeakPolarHBondContact CB-O 3.39Å; D459-M635 PolarHBondContact N-O 2.82Å; H460-M635 HydrophobicContact CB-CE 4.11Å; H460-M635 WeakPolarHBondContact CD2-CE 3.39Å; F597-M635 HydrophobicContact CE2-CB 4.42Å; F597-M635 HydrophobicContact CE2-SD 4.07Å; F597-M635 HydrophobicContact CZ-CB 4.18Å; M635-A639 WeakPolarHBondContact CA-O 3.49Å; M635-M640 HydrophobicContact CB-CE 4.4Å; M635-M640 HydrophobicContact CB-SD 3.61Å; M635-M640 HydrophobicContact CG-SD 3.85Å; M635-M640 HydrophobicContact SD-SD 4.35Å |
| 636 | R | 86.1 | Confident | 93 | Very high | 107 Ų | 107 | 43.3 Ų | 43.3 | 40% | 0.404 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 116.4 | 169.5 | -66.9 | -170.3 | 76 | 169.8 | 4.2 | 109.2 | R638 A639 | R636-R638 PolarHBondContact O-N 3.49Å; R636-A639 PolarHBondContact N-O 3.35Å; R636-A639 PolarHBondContact O-N 2.89Å |
| 637 | R | 81.2 | Confident | 93.1 | Very high | 165 Ų | 165 | 45.6 Ų | 45.6 | 62% | 0.623 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | -103.2 | -172.7 | -54.8 | 179.2 | -177.9 | -173.3 | -0.3 | 111.2 | G261 D459 | G261-R637 CarbonylContact C-O 3.53Å; G261-R637 CarbonylContact O-C 3.54Å; G261-R637 VanDerWaalsContact O-CA 3.28Å; G261-R637 WeakPolarHBondContact O-CA 3.46Å; D459-R637 PolarHBondContact OD2-N 3.13Å |
| 638 | R | 75.6 | Confident | 93.1 | Very high | 140 Ų | 140 | 42.3 Ų | 42.3 | 53% | 0.528 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -10.8 | 180 | 65.6 | -179.6 | 171.7 | -172.4 | -4.1 | 114.4 | R636 V695 | R636-R638 PolarHBondContact O-N 3.49Å; R638-V695 PolarHBondContact NH1-O 2.83Å |
| 639 | A | 84.6 | Confident | 93 | Very high | 44 Ų | 44 | 43.8 Ų | 43.8 | 36% | 0.364 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 136.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | M635 R636 V641 | M635-A639 WeakPolarHBondContact CA-O 3.49Å; R636-A639 PolarHBondContact N-O 3.35Å; R636-A639 PolarHBondContact O-N 2.89Å; A639-V641 HydrophobicContact CB-CG2 3.79Å |
| 640 | M | 90.3 | Very high | 92.9 | Very high | 43 Ų | 43 | 50.9 Ų | 50.9 | 21% | 0.212 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 110.5 | 165.5 | -67.4 | -57.9 | -49.5 | 0 | 0 | 108.1 | F597 V601 K604 L633 G634 M635 | F597-M640 HydrophobicContact CE2-CE 4.47Å; F597-M640 HydrophobicContact CE2-SD 3.96Å; F597-M640 HydrophobicContact CZ-CE 4.48Å; F597-M640 HydrophobicContact CZ-SD 4.39Å; V601-M640 HydrophobicContact CB-CE 4.24Å; V601-M640 HydrophobicContact CG1-CE 3.44Å; V601-M640 VanDerWaalsContact CG1-CE 3.44Å; V601-M640 HydrophobicContact CG1-SD 4.13Å; K604-M640 HydrophobicContact CD-CB 3.87Å; K604-M640 HydrophobicContact CD-CG 4.5Å; K604-M640 PolarHBondContact NZ-O 2.91Å; L633-M640 HydrophobicContact CD1-CB 4.15Å; L633-M640 HydrophobicContact CD1-CE 3.87Å; L633-M640 HydrophobicContact CD2-CE 4.32Å; L633-M640 HydrophobicContact CG-CE 3.76Å; G634-M640 WeakPolarHBondContact O-CA 3.43Å; M635-M640 HydrophobicContact CB-CE 4.4Å; M635-M640 HydrophobicContact CB-SD 3.61Å; M635-M640 HydrophobicContact CG-SD 3.85Å; M635-M640 HydrophobicContact SD-SD 4.35Å |
| 641 | V | 94.1 | Very high | 92.6 | Very high | 53 Ų | 53 | 54.8 Ų | 54.8 | 32% | 0.321 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 135.1 | -169.8 | -170.7 | 0 | 0 | 0 | 0 | 110 | G634 A639 Q643 | G634-V641 PolarHBondContact N-O 3.38Å; G634-V641 PolarHBondContact O-N 3.01Å; A639-V641 HydrophobicContact CB-CG2 3.79Å; V641-Q643 HydrophobicContact CG1-CG 4.01Å |
| 642 | F | 97 | Very high | 92.6 | Very high | 47 Ų | 47 | 55 Ų | 55 | 21% | 0.206 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 122.1 | 168.2 | -66.8 | -88.4 | 0 | 0 | 0 | 108.4 | K604 W608 C631 L632 L633 | K604-F642 HydrophobicContact CG-CE2 4.25Å; K604-F642 HydrophobicContact CG-CZ 4.21Å; W608-F642 HydrophobicContact CB-CD1 4.45Å; W608-F642 HydrophobicContact CB-CD2 4.49Å; W608-F642 HydrophobicContact CB-CE1 3.61Å; W608-F642 HydrophobicContact CB-CE2 3.66Å; W608-F642 HydrophobicContact CB-CZ 3.16Å; W608-F642 AromaticContact CD1-CD2 3.71Å; W608-F642 AromaticContact CD1-CE2 3.71Å; W608-F642 AromaticContact CD1-CG 3.88Å; W608-F642 AromaticContact CD1-CZ 3.89Å; W608-F642 AromaticContact CD2-CD1 3.68Å; W608-F642 HydrophobicContact CD2-CD1 3.68Å; W608-F642 AromaticContact CD2-CE1 3.54Å; W608-F642 HydrophobicContact CD2-CE1 3.54Å; W608-F642 HydrophobicContact CD2-CG 4.27Å; W608-F642 HydrophobicContact CD2-CZ 4.03Å; W608-F642 AromaticContact CE2-CD1 3.88Å; W608-F642 HydrophobicContact CE3-CD1 4.12Å; W608-F642 AromaticContact CE3-CE1 3.83Å; W608-F642 HydrophobicContact CE3-CE1 3.83Å; W608-F642 AromaticContact CG-CD1 3.81Å; W608-F642 HydrophobicContact CG-CD1 3.81Å; W608-F642 HydrophobicContact CG-CD2 4.05Å; W608-F642 AromaticContact CG-CE1 3.43Å; W608-F642 HydrophobicContact CG-CE1 3.43Å; W608-F642 VanDerWaalsContact CG-CE1 3.43Å; W608-F642 AromaticContact CG-CE2 3.7Å; W608-F642 HydrophobicContact CG-CE2 3.7Å; W608-F642 HydrophobicContact CG-CG 4.11Å; W608-F642 AromaticContact CG-CZ 3.39Å; W608-F642 HydrophobicContact CG-CZ 3.39Å; W608-F642 HydrophobicContact CZ2-CD1 4.47Å; W608-F642 AromaticContact NE1-CG 3.9Å; C631-F642 HydrophobicContact CB-CB 4.11Å; C631-F642 HydrophobicContact CB-CD1 4.29Å; L632-F642 WeakPolarHBondContact O-CA 3.08Å; L633-F642 HydrophobicContact CB-CD1 4Å; L633-F642 HydrophobicContact CB-CE1 3.78Å; L633-F642 HydrophobicContact CB-CZ 4.38Å; L633-F642 HydrophobicContact CD1-CD1 4.08Å; L633-F642 HydrophobicContact CD1-CD2 3.99Å; L633-F642 HydrophobicContact CD1-CE1 3.85Å; L633-F642 HydrophobicContact CD1-CE2 3.76Å; L633-F642 HydrophobicContact CD1-CG 4.14Å; L633-F642 HydrophobicContact CD1-CZ 3.67Å; L633-F642 HydrophobicContact CD2-CE1 3.95Å; L633-F642 HydrophobicContact CD2-CZ 3.79Å; L633-F642 HydrophobicContact CG-CE1 4.06Å; L633-F642 HydrophobicContact CG-CZ 4.15Å |
| 643 | Q | 96.7 | Very high | 92.5 | Very high | 19 Ų | 19 | 57.1 Ų | 57.1 | 9% | 0.089 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 127.6 | -179 | -72.8 | 161.1 | 111.6 | 0 | 0 | 109.2 | G457 C631 L632 V641 V645 L648 | G457-Q643 PolarHBondContact O-NE2 3.05Å; C631-Q643 CarbonylContact C-O 3.48Å; C631-Q643 VanDerWaalsContact CA-O 3.26Å; C631-Q643 WeakPolarHBondContact CA-O 3.21Å; L632-Q643 PolarHBondContact N-O 3.26Å; L632-Q643 PolarHBondContact O-N 3.36Å; V641-Q643 HydrophobicContact CG1-CG 4.01Å; Q643-V645 PolarHBondContact O-N 3.12Å; Q643-L648 HydrophobicContact CB-CD1 4.06Å; Q643-L648 HydrophobicContact CB-CD2 4.26Å; Q643-L648 HydrophobicContact CB-CG 4.17Å |
| 644 | P | 97.8 | Very high | 92.4 | Very high | 7 Ų | 7 | 60.4 Ų | 60.4 | 5% | 0.045 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 130.8 | 175.2 | -27.8 | 37 | 0 | 0 | 0 | 111.6 | E627 D628 A630 A646 Q647 L648 | E627-P644 HydrophobicContact CB-CB 4.12Å; E627-P644 HydrophobicContact CG-CB 4.34Å; E627-P644 HydrophobicContact CG-CG 4.38Å; D628-P644 WeakPolarHBondContact OD1-CG 3.31Å; A630-P644 WeakPolarHBondContact O-CA 3.39Å; P644-A646 PolarHBondContact O-N 3.39Å; P644-Q647 HydrophobicContact CB-CB 4.44Å; P644-Q647 HydrophobicContact CB-CG 4.06Å; P644-Q647 HydrophobicContact CG-CG 4.41Å; P644-Q647 PolarHBondContact O-N 2.8Å; P644-Q647 VanDerWaalsContact O-N 3.1Å; P644-L648 PolarHBondContact O-N 3.12Å |
| 645 | V | 96.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64 | -27.2 | -179.5 | -64.8 | 0 | 0 | 0 | 0 | 112.5 | F424 L427 L428 I446 A630 L632 Q643 Q647 L648 R649 | F424-V645 HydrophobicContact CD2-CB 4.38Å; F424-V645 HydrophobicContact CD2-CG1 4.15Å; F424-V645 HydrophobicContact CE2-CB 3.96Å; F424-V645 HydrophobicContact CE2-CG1 4.15Å; L427-V645 HydrophobicContact CB-CG1 4.37Å; L427-V645 HydrophobicContact CD2-CG1 3.85Å; L427-V645 HydrophobicContact CG-CG1 4.48Å; L428-V645 HydrophobicContact CD1-CG2 4.37Å; I446-V645 HydrophobicContact CG2-CG1 4.18Å; A630-V645 HydrophobicContact CB-CG2 4.31Å; A630-V645 PolarHBondContact O-N 3.48Å; L632-V645 HydrophobicContact CB-CG1 4.29Å; Q643-V645 PolarHBondContact O-N 3.12Å; V645-Q647 VanDerWaalsContact C-N 3.34Å; V645-Q647 PolarHBondContact O-N 3.38Å; V645-L648 PolarHBondContact O-N 3.43Å; V645-R649 PolarHBondContact O-N 3.06Å |
| 646 | A | 95.8 | Very high | 92.8 | Very high | 24 Ų | 24 | 66.7 Ų | 66.7 | 20% | 0.198 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y431 P644 R649 | Y431-A646 HydrophobicContact CD1-CB 4.21Å; Y431-A646 HydrophobicContact CE1-CB 3.67Å; P644-A646 PolarHBondContact O-N 3.39Å; A646-R649 WeakPolarHBondContact O-CB 3.41Å; A646-R649 PolarHBondContact O-N 2.98Å |
| 647 | Q | 95.7 | Very high | 93.3 | Very high | 94 Ų | 94 | 65.1 Ų | 65.1 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -72.3 | -40.7 | 178.6 | -65.1 | 175.2 | 7.7 | 0 | 0 | 111.3 | E627 P644 V645 R649 E650 | E627-Q647 PolarHBondContact OE1-NE2 3.46Å; P644-Q647 HydrophobicContact CB-CB 4.44Å; P644-Q647 HydrophobicContact CB-CG 4.06Å; P644-Q647 HydrophobicContact CG-CG 4.41Å; P644-Q647 PolarHBondContact O-N 2.8Å; P644-Q647 VanDerWaalsContact O-N 3.1Å; V645-Q647 VanDerWaalsContact C-N 3.34Å; V645-Q647 PolarHBondContact O-N 3.38Å; Q647-R649 PolarHBondContact O-N 2.8Å; Q647-R649 VanDerWaalsContact O-N 3.09Å; Q647-E650 PolarHBondContact O-N 3.01Å |
| 648 | L | 95.8 | Very high | 94 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.1 | -17.4 | 177.8 | -68 | 177.5 | 0 | 0 | 0 | 113.6 | F424 P456 L632 Q643 P644 V645 E650 E651 T652 | F424-L648 HydrophobicContact CE2-CB 3.81Å; F424-L648 HydrophobicContact CE2-CD1 4.26Å; F424-L648 HydrophobicContact CZ-CB 4Å; P456-L648 HydrophobicContact CB-CB 4.47Å; P456-L648 HydrophobicContact CG-CB 4.44Å; L632-L648 HydrophobicContact CB-CD1 3.73Å; L632-L648 HydrophobicContact CD1-CD1 4.04Å; L632-L648 HydrophobicContact CD2-CD1 4.19Å; L632-L648 HydrophobicContact CG-CD1 4.22Å; Q643-L648 HydrophobicContact CB-CD1 4.06Å; Q643-L648 HydrophobicContact CB-CD2 4.26Å; Q643-L648 HydrophobicContact CB-CG 4.17Å; P644-L648 PolarHBondContact O-N 3.12Å; V645-L648 PolarHBondContact O-N 3.43Å; L648-E650 PolarHBondContact O-N 3Å; L648-E651 PolarHBondContact O-N 3.19Å; L648-E651 VanDerWaalsContact O-N 3.16Å; L648-T652 PolarHBondContact O-N 3.32Å; L648-T652 PolarHBondContact O-OG1 2.9Å |
| 649 | R | 94.3 | Very high | 94.9 | Very high | 126 Ų | 126 | 51.8 Ų | 51.8 | 48% | 0.475 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -39.4 | 173.3 | -171.6 | -174.7 | -172.3 | 151.4 | 10.2 | 112 | L428 E432 V645 A646 Q647 E651 T652 F654 | L428-R649 HydrophobicContact CD2-CG 4.28Å; E432-R649 IonicContact OE1-CZ 2.81Å; E432-R649 IonicContact OE1-NH1 3.16Å; E432-R649 PolarHBondContact OE1-NH1 3.15Å; E432-R649 IonicContact OE1-NH2 2.72Å; V645-R649 PolarHBondContact O-N 3.06Å; A646-R649 WeakPolarHBondContact O-CB 3.41Å; A646-R649 PolarHBondContact O-N 2.98Å; Q647-R649 PolarHBondContact O-N 2.8Å; Q647-R649 VanDerWaalsContact O-N 3.09Å; R649-E651 VanDerWaalsContact C-N 3.29Å; R649-E651 PolarHBondContact O-N 3.25Å; R649-T652 PolarHBondContact O-N 2.8Å; R649-F654 HydrophobicContact CB-CZ 4.5Å; R649-F654 HydrophobicContact CG-CE2 3.72Å; R649-F654 HydrophobicContact CG-CZ 3.91Å |
| 650 | E | 93.3 | Very high | 95.3 | Very high | 159 Ų | 159 | 56.2 Ų | 56.2 | 74% | 0.743 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -27.3 | -177.9 | -61.3 | -170.9 | 167.9 | 0 | 0 | 112.5 | Q647 L648 T652 K660 | Q647-E650 PolarHBondContact O-N 3.01Å; L648-E650 PolarHBondContact O-N 3Å; E650-T652 VanDerWaalsContact C-N 3.3Å; E650-K660 WeakPolarHBondContact O-CE 3.05Å; E650-K660 PolarHBondContact O-NZ 3.45Å |
| 651 | E | 93.1 | Very high | 95.1 | Very high | 83 Ų | 83 | 62.3 Ų | 62.3 | 39% | 0.388 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 2.4 | 178.7 | -60.3 | -176.8 | -162.3 | 0 | 0 | 113 | L648 R649 K660 | L648-E651 PolarHBondContact O-N 3.19Å; L648-E651 VanDerWaalsContact O-N 3.16Å; R649-E651 VanDerWaalsContact C-N 3.29Å; R649-E651 PolarHBondContact O-N 3.25Å; E651-K660 WeakPolarHBondContact O-CG 3.28Å; E651-K660 PolarHBondContact O-N 3.41Å |
| 652 | T | 96.6 | Very high | 94.9 | Very high | 7 Ų | 7 | 60.9 Ų | 60.9 | 4% | 0.043 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135.9 | -169.8 | -58.2 | 0 | 0 | 0 | 0 | 112.7 | F421 F424 P456 L648 R649 E650 F654 | F421-T652 HydrophobicContact CE2-CG2 3.54Å; F421-T652 HydrophobicContact CZ-CG2 3.55Å; F424-T652 HydrophobicContact CE1-CG2 4.12Å; P456-T652 WeakPolarHBondContact CB-OG1 3.37Å; P456-T652 VanDerWaalsContact CG-OG1 3.31Å; P456-T652 WeakPolarHBondContact CG-OG1 3.39Å; L648-T652 PolarHBondContact O-N 3.32Å; L648-T652 PolarHBondContact O-OG1 2.9Å; R649-T652 PolarHBondContact O-N 2.8Å; E650-T652 VanDerWaalsContact C-N 3.3Å; T652-F654 HydrophobicContact CG2-CD1 4.35Å; T652-F654 HydrophobicContact CG2-CD2 3.93Å; T652-F654 HydrophobicContact CG2-CE1 4.25Å; T652-F654 HydrophobicContact CG2-CE2 3.82Å; T652-F654 HydrophobicContact CG2-CG 4.2Å; T652-F654 HydrophobicContact CG2-CZ 3.98Å |
| 653 | D | 96.6 | Very high | 94.5 | Very high | 44 Ų | 44 | 60.6 Ų | 60.6 | 24% | 0.235 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 104.5 | 161.5 | -176.9 | -21.2 | 0 | 0 | 0 | 108.8 | V655 H656 R657 I658 | D653-V655 WeakPolarHBondContact OD1-CA 3.4Å; D653-V655 WeakPolarHBondContact OD1-CB 3.31Å; D653-V655 PolarHBondContact OD1-N 2.85Å; D653-H656 PolarHBondContact OD1-N 2.73Å; D653-H656 IonicContact OD1-ND1 2.67Å; D653-H656 PolarHBondContact OD1-ND1 3.17Å; D653-H656 IonicContact OD2-CE1 2.81Å; D653-H656 IonicContact OD2-CG 3.23Å; D653-H656 IonicContact OD2-ND1 2.83Å; D653-H656 PolarHBondContact OD2-ND1 3.38Å; D653-R657 WeakPolarHBondContact O-CA 3.4Å; D653-R657 PolarHBondContact O-N 3.46Å; D653-I658 HydrophobicContact CB-CG1 4.06Å; D653-I658 PolarHBondContact N-O 3.38Å; D653-I658 PolarHBondContact O-N 2.8Å; D653-I658 VanDerWaalsContact O-N 3.16Å |
| 654 | F | 96.1 | Very high | 94.2 | Very high | 72 Ų | 72 | 59.9 Ų | 59.9 | 32% | 0.316 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -23.1 | 179.9 | -72.6 | -90.1 | 0 | 0 | 0 | 113.5 | F421 F424 L428 R649 T652 | F421-F654 HydrophobicContact CE1-CD1 4.02Å; F421-F654 HydrophobicContact CE1-CE1 4.48Å; F421-F654 AromaticContact CZ-CD1 3.85Å; F421-F654 HydrophobicContact CZ-CD1 3.85Å; F421-F654 HydrophobicContact CZ-CE1 4.23Å; F421-F654 HydrophobicContact CZ-CG 4.41Å; F424-F654 AromaticContact CE1-CE1 3.97Å; F424-F654 HydrophobicContact CE1-CE1 3.97Å; F424-F654 AromaticContact CE1-CZ 3.9Å; F424-F654 HydrophobicContact CE1-CZ 3.9Å; F424-F654 HydrophobicContact CZ-CZ 4.48Å; L428-F654 HydrophobicContact CD2-CE1 4.19Å; L428-F654 HydrophobicContact CD2-CZ 3.91Å; R649-F654 HydrophobicContact CB-CZ 4.5Å; R649-F654 HydrophobicContact CG-CE2 3.72Å; R649-F654 HydrophobicContact CG-CZ 3.91Å; T652-F654 HydrophobicContact CG2-CD1 4.35Å; T652-F654 HydrophobicContact CG2-CD2 3.93Å; T652-F654 HydrophobicContact CG2-CE1 4.25Å; T652-F654 HydrophobicContact CG2-CE2 3.82Å; T652-F654 HydrophobicContact CG2-CG 4.2Å; T652-F654 HydrophobicContact CG2-CZ 3.98Å |
| 655 | V | 95.8 | Very high | 93.9 | Very high | 119 Ų | 119 | 62.3 Ų | 62.3 | 72% | 0.721 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -49.1 | 179.8 | 178.6 | 0 | 0 | 0 | 0 | 109.2 | D653 | D653-V655 WeakPolarHBondContact OD1-CA 3.4Å; D653-V655 WeakPolarHBondContact OD1-CB 3.31Å; D653-V655 PolarHBondContact OD1-N 2.85Å |
| 656 | H | 96 | Very high | 93.5 | Very high | 46 Ų | 46 | 67.3 Ų | 67.3 | 21% | 0.213 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -8.6 | -178.5 | -54.5 | 102.7 | 0 | 0 | 0 | 113 | Y498 Y518 D653 I658 | Y498-H656 AromaticContact CD1-CD2 3.96Å; Y498-H656 HydrophobicContact CD2-CB 4.03Å; Y498-H656 WeakPolarHBondContact CD2-O 3.44Å; Y498-H656 AromaticContact CE1-CD2 3.91Å; Y498-H656 HydrophobicContact CG-CB 3.94Å; Y518-H656 HydrophobicContact CE1-CB 4.31Å; Y518-H656 AromaticContact CE1-CG 3.98Å; Y518-H656 AromaticContact CZ-CD2 3.76Å; Y518-H656 AromaticContact CZ-CG 3.98Å; Y518-H656 AromaticContact CZ-NE2 3.91Å; Y518-H656 PolarHBondContact OH-CD2 3.44Å; Y518-H656 PolarHBondContact OH-CE1 2.95Å; Y518-H656 PolarHBondContact OH-ND1 2.9Å; Y518-H656 PolarHBondContact OH-NE2 2.78Å; Y518-H656 VanDerWaalsContact OH-NE2 3.09Å; D653-H656 PolarHBondContact OD1-N 2.73Å; D653-H656 IonicContact OD1-ND1 2.67Å; D653-H656 PolarHBondContact OD1-ND1 3.17Å; D653-H656 IonicContact OD2-CE1 2.81Å; D653-H656 IonicContact OD2-CG 3.23Å; D653-H656 IonicContact OD2-ND1 2.83Å; D653-H656 PolarHBondContact OD2-ND1 3.38Å; H656-I658 HydrophobicContact CB-CD1 4.17Å; H656-I658 HydrophobicContact CB-CG1 4.05Å |
| 657 | R | 96.9 | Very high | 93.2 | Very high | 73 Ų | 73 | 66.6 Ų | 66.6 | 28% | 0.275 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 49.6 | 178.1 | -57.8 | 173.9 | 46.7 | 178.5 | -9.5 | 112.7 | F421 E422 N454 D653 | F421-R657 HydrophobicContact CD1-CB 3.89Å; F421-R657 HydrophobicContact CD1-CG 3.81Å; F421-R657 HydrophobicContact CD2-CB 3.9Å; F421-R657 HydrophobicContact CE1-CB 3.97Å; F421-R657 HydrophobicContact CE1-CG 3.72Å; F421-R657 HydrophobicContact CE2-CB 3.98Å; F421-R657 HydrophobicContact CG-CB 3.85Å; F421-R657 HydrophobicContact CG-CG 4.3Å; F421-R657 HydrophobicContact CZ-CB 4.02Å; F421-R657 HydrophobicContact CZ-CG 4.14Å; E422-R657 IonicContact OE1-CZ 3.44Å; E422-R657 IonicContact OE1-NH1 2.85Å; E422-R657 PolarHBondContact OE1-NH1 2.81Å; E422-R657 IonicContact OE1-NH2 3.6Å; E422-R657 PolarHBondContact OE1-NH2 2.77Å; E422-R657 IonicContact OE2-CZ 3Å; E422-R657 IonicContact OE2-NH2 2.64Å; E422-R657 PolarHBondContact OE2-NH2 3.39Å; N454-R657 PolarHBondContact ND2-O 3.36Å; D653-R657 WeakPolarHBondContact O-CA 3.4Å; D653-R657 PolarHBondContact O-N 3.46Å |
| 658 | I | 96.1 | Very high | 92.9 | Very high | 10 Ų | 10 | 63.3 Ų | 63.3 | 5% | 0.051 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 155.1 | -180 | 58.4 | 177.1 | 0 | 0 | 0 | 110.5 | N454 C499 Y518 D653 H656 | N454-I658 HydrophobicContact CB-CG2 4.33Å; C499-I658 HydrophobicContact CB-CG2 3.84Å; Y518-I658 HydrophobicContact CD1-CD1 4.12Å; Y518-I658 HydrophobicContact CE1-CD1 4.13Å; D653-I658 HydrophobicContact CB-CG1 4.06Å; D653-I658 PolarHBondContact N-O 3.38Å; D653-I658 PolarHBondContact O-N 2.8Å; D653-I658 VanDerWaalsContact O-N 3.16Å; H656-I658 HydrophobicContact CB-CD1 4.17Å; H656-I658 HydrophobicContact CB-CG1 4.05Å |
| 659 | P | 94.7 | Very high | 92.4 | Very high | 15 Ų | 15 | 65.7 Ų | 65.7 | 10% | 0.097 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 148.8 | 166.6 | 28.5 | -32.3 | 0 | 0 | 0 | 110.7 | P456 E661 Q662 | P456-P659 HydrophobicContact CB-CB 4.36Å; P659-E661 VanDerWaalsContact C-N 3.31Å; P659-E661 PolarHBondContact O-N 3.31Å; P659-Q662 HydrophobicContact CG-CG 3.73Å |
| 660 | K | 91.2 | Very high | 92 | Very high | 138 Ų | 138 | 60 Ų | 60 | 60% | 0.6 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -69 | -29.1 | 178 | -69.3 | 176.3 | -178.7 | 174.6 | 0 | 113.1 | E650 E651 | E650-K660 WeakPolarHBondContact O-CE 3.05Å; E650-K660 PolarHBondContact O-NZ 3.45Å; E651-K660 WeakPolarHBondContact O-CG 3.28Å; E651-K660 PolarHBondContact O-N 3.41Å |
| 661 | E | 87.3 | Confident | 91.8 | Very high | 170 Ų | 170 | 53.2 Ų | 53.2 | 79% | 0.794 | 26% | 0.256 | S | S | * | . | trans | -120.6 | 135.4 | 177.2 | -66.5 | -170.6 | 175 | 0 | 0 | 111 | P659 | P659-E661 VanDerWaalsContact C-N 3.31Å; P659-E661 PolarHBondContact O-N 3.31Å | ||
| 662 | Q | 89.1 | Confident | 91.5 | Very high | 24 Ų | 24 | 52.9 Ų | 52.9 | 11% | 0.112 | 25% | 0.253 | C | S | . | . | trans | -137.5 | 118.5 | -175.1 | -73.7 | 164.7 | -55.8 | 0 | 0 | 110.8 | C499 E519 P659 W664 L665 | C499-Q662 PolarHBondContact SG-NE2 3.12Å; E519-Q662 PolarHBondContact OE1-NE2 3.32Å; E519-Q662 PolarHBondContact OE1-OE1 3.25Å; P659-Q662 HydrophobicContact CG-CG 3.73Å; Q662-W664 HydrophobicContact CB-CD2 4.48Å; Q662-W664 HydrophobicContact CB-CZ2 4.29Å; Q662-W664 HydrophobicContact CG-CZ2 4.38Å; Q662-W664 VanDerWaalsContact NE2-CZ2 3.27Å; Q662-W664 PolarHBondContact O-N 3.01Å; Q662-W664 VanDerWaalsContact O-N 3.09Å; Q662-L665 HydrophobicContact CB-CD1 4.06Å; Q662-L665 HydrophobicContact CB-CG 4.19Å; Q662-L665 PolarHBondContact O-N 2.87Å | ||
| 663 | W | 88.9 | Confident | 91 | Very high | 40 Ų | 40 | 55.3 Ų | 55.3 | 15% | 0.152 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -61.1 | -26 | -173.4 | 70.4 | -97.8 | 0 | 0 | 0 | 114 | N262 D459 H460 Y501 K666 L667 | N262-W663 WeakPolarHBondContact ND2-CZ2 3.08Å; D459-W663 PolarHBondContact O-NE1 2.95Å; D459-W663 VanDerWaalsContact OD1-CD1 3.31Å; H460-W663 AromaticContact CE1-CZ2 3.8Å; H460-W663 AromaticContact NE2-CZ2 3.84Å; Y501-W663 AromaticContact CE2-CZ2 3.92Å; Y501-W663 HydrophobicContact CE2-CZ2 3.92Å; W663-K666 WeakPolarHBondContact O-CD 3.15Å; W663-K666 VanDerWaalsContact O-CE 3.24Å; W663-K666 WeakPolarHBondContact O-CE 3.29Å; W663-K666 WeakPolarHBondContact O-CG 3.36Å; W663-L667 HydrophobicContact CH2-CD1 4.38Å; W663-L667 HydrophobicContact CZ3-CD1 3.89Å; W663-L667 HydrophobicContact CZ3-CG 4.46Å |
| 664 | W | 91.4 | Very high | 90.7 | Very high | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -83.6 | -12.4 | -171.7 | 54.5 | -96.1 | 0 | 0 | 0 | 113 | Y501 T504 V505 I517 E519 Q662 K666 L667 | Y501-W664 HydrophobicContact CD2-CB 4.25Å; Y501-W664 AromaticContact CD2-CD1 3.42Å; Y501-W664 VanDerWaalsContact CD2-CD1 3.42Å; Y501-W664 HydrophobicContact CD2-CD2 4.22Å; Y501-W664 AromaticContact CD2-CG 3.7Å; Y501-W664 HydrophobicContact CD2-CG 3.7Å; Y501-W664 AromaticContact CD2-NE1 3.67Å; Y501-W664 HydrophobicContact CE2-CG 4.44Å; Y501-W664 VanDerWaalsContact N-CZ2 3.25Å; T504-W664 HydrophobicContact CG2-CE3 3.8Å; T504-W664 HydrophobicContact CG2-CZ3 4.07Å; T504-W664 WeakPolarHBondContact OG1-CZ3 3.29Å; V505-W664 HydrophobicContact CG2-CB 4.06Å; I517-W664 HydrophobicContact CD1-CH2 4.09Å; I517-W664 HydrophobicContact CD1-CZ3 3.84Å; E519-W664 HydrophobicContact CG-CH2 4.38Å; E519-W664 VanDerWaalsContact OE1-CH2 3.23Å; E519-W664 WeakPolarHBondContact OE1-CH2 3.36Å; E519-W664 VanDerWaalsContact OE1-CZ2 3.25Å; E519-W664 WeakPolarHBondContact OE1-CZ2 3.29Å; Q662-W664 HydrophobicContact CB-CD2 4.48Å; Q662-W664 HydrophobicContact CB-CZ2 4.29Å; Q662-W664 HydrophobicContact CG-CZ2 4.38Å; Q662-W664 VanDerWaalsContact NE2-CZ2 3.27Å; Q662-W664 PolarHBondContact O-N 3.01Å; Q662-W664 VanDerWaalsContact O-N 3.09Å; W664-K666 PolarHBondContact O-N 2.93Å; W664-L667 HydrophobicContact CB-CD1 4.4Å; W664-L667 VanDerWaalsContact O-CB 3.26Å; W664-L667 WeakPolarHBondContact O-CB 3.42Å; W664-L667 WeakPolarHBondContact O-CG 3.25Å; W664-L667 PolarHBondContact O-N 2.87Å |
| 665 | L | 91.5 | Very high | 90.3 | Very high | 59 Ų | 59 | 54.7 Ų | 54.7 | 31% | 0.309 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -62.3 | -26.9 | 173.6 | -70.5 | 171.4 | 0 | 0 | 0 | 112 | I517 E519 Q662 L667 R668 | I517-L665 HydrophobicContact CD1-CD2 3.93Å; E519-L665 HydrophobicContact CB-CD1 4.41Å; E519-L665 HydrophobicContact CB-CD2 3.85Å; Q662-L665 HydrophobicContact CB-CD1 4.06Å; Q662-L665 HydrophobicContact CB-CG 4.19Å; Q662-L665 PolarHBondContact O-N 2.87Å; L665-L667 PolarHBondContact O-N 2.75Å; L665-L667 VanDerWaalsContact O-N 3.13Å; L665-R668 HydrophobicContact CD2-CG 4.44Å; L665-R668 VanDerWaalsContact O-CB 3.31Å; L665-R668 WeakPolarHBondContact O-CB 3.49Å; L665-R668 WeakPolarHBondContact O-CG 2.9Å; L665-R668 PolarHBondContact O-N 3.04Å; L665-R668 VanDerWaalsContact O-N 3.09Å |
| 666 | K | 87.6 | Confident | 89.8 | Confident | 104 Ų | 104 | 57.3 Ų | 57.3 | 45% | 0.452 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -65.8 | -13.3 | 173 | 79.1 | -163 | 174.1 | 173.3 | 0 | 114 | W663 W664 R668 P669 | W663-K666 WeakPolarHBondContact O-CD 3.15Å; W663-K666 VanDerWaalsContact O-CE 3.24Å; W663-K666 WeakPolarHBondContact O-CE 3.29Å; W663-K666 WeakPolarHBondContact O-CG 3.36Å; W664-K666 PolarHBondContact O-N 2.93Å; K666-R668 VanDerWaalsContact C-N 3.31Å; K666-P669 WeakPolarHBondContact O-CD 3.3Å |
| 667 | L | 88.9 | Confident | 89 | Confident | 10 Ų | 10 | 57.2 Ų | 57.2 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -82.3 | -10.7 | 175.7 | -55.6 | 179.2 | 0 | 0 | 0 | 112.4 | R236 V505 L508 W663 W664 L665 L670 M671 | R236-L667 HydrophobicContact CG-CD2 4.23Å; V505-L667 HydrophobicContact CG2-CD1 4.47Å; L508-L667 HydrophobicContact CD2-CB 4.5Å; L508-L667 HydrophobicContact CD2-CD1 4.17Å; W663-L667 HydrophobicContact CH2-CD1 4.38Å; W663-L667 HydrophobicContact CZ3-CD1 3.89Å; W663-L667 HydrophobicContact CZ3-CG 4.46Å; W664-L667 HydrophobicContact CB-CD1 4.4Å; W664-L667 VanDerWaalsContact O-CB 3.26Å; W664-L667 WeakPolarHBondContact O-CB 3.42Å; W664-L667 WeakPolarHBondContact O-CG 3.25Å; W664-L667 PolarHBondContact O-N 2.87Å; L665-L667 PolarHBondContact O-N 2.75Å; L665-L667 VanDerWaalsContact O-N 3.13Å; L667-L670 VanDerWaalsContact O-CB 3.26Å; L667-L670 WeakPolarHBondContact O-CB 3.17Å; L667-L670 PolarHBondContact O-N 2.71Å; L667-M671 WeakPolarHBondContact O-CG 3.48Å; L667-M671 PolarHBondContact O-N 2.93Å |
| 668 | R | 88.9 | Confident | 87.5 | Confident | 24 Ų | 24 | 64.3 Ų | 64.3 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | -175.4 | -59.9 | -69.8 | -63 | 174.4 | 6.2 | 113 | T504 V515 E520 L665 K666 L670 M671 K672 | T504-R668 VanDerWaalsContact CG2-CD 3.49Å; T504-R668 HydrophobicContact CG2-CG 4.47Å; T504-R668 PolarHBondContact OG1-NH1 3.34Å; V515-R668 PolarHBondContact O-NH1 3.41Å; V515-R668 PolarHBondContact O-NH2 3.37Å; E520-R668 IonicContact OE2-CZ 3.68Å; E520-R668 VanDerWaalsContact OE2-CZ 3.23Å; E520-R668 IonicContact OE2-NE 2.76Å; E520-R668 PolarHBondContact OE2-NE 2.91Å; E520-R668 IonicContact OE2-NH2 3.52Å; E520-R668 PolarHBondContact OE2-NH2 2.96Å; L665-R668 HydrophobicContact CD2-CG 4.44Å; L665-R668 VanDerWaalsContact O-CB 3.31Å; L665-R668 WeakPolarHBondContact O-CB 3.49Å; L665-R668 WeakPolarHBondContact O-CG 2.9Å; L665-R668 PolarHBondContact O-N 3.04Å; L665-R668 VanDerWaalsContact O-N 3.09Å; K666-R668 VanDerWaalsContact C-N 3.31Å; R668-L670 VanDerWaalsContact C-N 3.33Å; R668-L670 PolarHBondContact O-N 2.8Å; R668-M671 PolarHBondContact O-N 3.28Å; R668-K672 PolarHBondContact O-N 3.28Å |
| 669 | P | 86.8 | Confident | 85.8 | Confident | 52 Ų | 52 | 66.8 Ų | 66.8 | 34% | 0.338 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 175 | -23.5 | 35.7 | 0 | 0 | 0 | 112.7 | K666 M671 K672 I673 Y681 | K666-P669 WeakPolarHBondContact O-CD 3.3Å; P669-M671 VanDerWaalsContact C-N 3.27Å; P669-M671 PolarHBondContact O-N 3.41Å; P669-K672 PolarHBondContact O-N 3.31Å; P669-K672 VanDerWaalsContact O-N 3.17Å; P669-I673 WeakPolarHBondContact O-CG1 3.26Å; P669-I673 PolarHBondContact O-N 3.2Å; P669-Y681 HydrophobicContact CB-CD2 4.12Å; P669-Y681 HydrophobicContact CB-CE2 4.16Å |
| 670 | L | 86.3 | Confident | 83.7 | Confident | 8 Ų | 8 | 71.4 Ų | 71.4 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -55.2 | -44.2 | 177.1 | -174.3 | 80.3 | 0 | 0 | 0 | 111.2 | R236 V239 L508 L667 R668 I673 L674 | R236-L670 HydrophobicContact CG-CD2 4.04Å; V239-L670 HydrophobicContact CB-CD1 3.48Å; V239-L670 VanDerWaalsContact CB-CD1 3.48Å; V239-L670 HydrophobicContact CG1-CD1 3.57Å; V239-L670 HydrophobicContact CG2-CD1 3.38Å; L508-L670 HydrophobicContact CD1-CD2 3.9Å; L508-L670 HydrophobicContact CD1-CG 4.44Å; L508-L670 HydrophobicContact CD2-CD2 3.92Å; L667-L670 VanDerWaalsContact O-CB 3.26Å; L667-L670 WeakPolarHBondContact O-CB 3.17Å; L667-L670 PolarHBondContact O-N 2.71Å; R668-L670 VanDerWaalsContact C-N 3.33Å; R668-L670 PolarHBondContact O-N 2.8Å; L670-I673 PolarHBondContact O-N 2.89Å; L670-L674 HydrophobicContact CD2-CD1 4.38Å; L670-L674 HydrophobicContact CG-CD1 3.98Å; L670-L674 WeakPolarHBondContact O-CG 3.35Å; L670-L674 PolarHBondContact O-N 3.4Å |
| 671 | M | 88.1 | Confident | 81.8 | Confident | 16 Ų | 16 | 68.8 Ų | 68.8 | 8% | 0.079 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 178.8 | -65.8 | 179.2 | 69 | 0 | 0 | 112.1 | T504 L508 V515 L667 R668 P669 I673 L674 A675 | T504-M671 HydrophobicContact CG2-SD 3.62Å; T504-M671 WeakPolarHBondContact O-CE 3.31Å; T504-M671 VanDerWaalsContact O-SD 3.4Å; L508-M671 HydrophobicContact CB-CE 4.34Å; L508-M671 HydrophobicContact CB-CG 3.98Å; L508-M671 HydrophobicContact CB-SD 4.14Å; L508-M671 HydrophobicContact CD1-CG 3.86Å; L508-M671 HydrophobicContact CG-CG 4.41Å; V515-M671 HydrophobicContact CB-CE 4.15Å; V515-M671 HydrophobicContact CG2-CE 3.35Å; L667-M671 WeakPolarHBondContact O-CG 3.48Å; L667-M671 PolarHBondContact O-N 2.93Å; R668-M671 PolarHBondContact O-N 3.28Å; P669-M671 VanDerWaalsContact C-N 3.27Å; P669-M671 PolarHBondContact O-N 3.41Å; M671-I673 VanDerWaalsContact C-N 3.3Å; M671-I673 PolarHBondContact O-N 3.3Å; M671-L674 PolarHBondContact O-N 3.11Å; M671-A675 VanDerWaalsContact O-CB 3.27Å; M671-A675 WeakPolarHBondContact O-CB 3.48Å; M671-A675 PolarHBondContact O-N 3.13Å |
| 672 | K | 86.4 | Confident | 79.9 | Confident | 76 Ų | 76 | 66.4 Ų | 66.4 | 33% | 0.33 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 178.1 | -70.4 | -176 | -177.5 | 173.1 | 0 | 111.2 | E520 R668 P669 A675 K676 Y677 | E520-K672 IonicContact OE1-NZ 3.67Å; E520-K672 PolarHBondContact OE1-NZ 3.21Å; R668-K672 PolarHBondContact O-N 3.28Å; P669-K672 PolarHBondContact O-N 3.31Å; P669-K672 VanDerWaalsContact O-N 3.17Å; K672-A675 CarbonylContact O-C 3.53Å; K672-A675 PolarHBondContact O-N 2.7Å; K672-K676 PolarHBondContact O-N 3.48Å; K672-Y677 WeakPolarHBondContact O-CB 3.37Å; K672-Y677 PolarHBondContact O-N 3.44Å |
| 673 | I | 87.2 | Confident | 78 | Confident | 57 Ų | 57 | 68.7 Ų | 68.7 | 29% | 0.292 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.8 | -50.3 | 177.3 | -68.8 | 166.4 | 0 | 0 | 0 | 111.5 | P669 L670 M671 A675 K676 Y681 | P669-I673 WeakPolarHBondContact O-CG1 3.26Å; P669-I673 PolarHBondContact O-N 3.2Å; L670-I673 PolarHBondContact O-N 2.89Å; M671-I673 VanDerWaalsContact C-N 3.3Å; M671-I673 PolarHBondContact O-N 3.3Å; I673-A675 PolarHBondContact O-N 3.18Å; I673-K676 WeakPolarHBondContact O-CA 3.45Å; I673-K676 PolarHBondContact O-N 2.88Å; I673-Y681 HydrophobicContact CD1-CD2 3.21Å; I673-Y681 HydrophobicContact CD1-CE2 4.03Å; I673-Y681 HydrophobicContact CD1-CG 3.71Å |
| 674 | L | 89 | Confident | 75.7 | Confident | 88 Ų | 88 | 71.3 Ų | 71.3 | 46% | 0.461 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.1 | -28.9 | -179.6 | -67 | 175.5 | 0 | 0 | 0 | 112.1 | V239 L508 L670 M671 K676 | V239-L674 HydrophobicContact CG2-CD2 3.97Å; L508-L674 HydrophobicContact CD1-CD1 3.78Å; L670-L674 HydrophobicContact CD2-CD1 4.38Å; L670-L674 HydrophobicContact CG-CD1 3.98Å; L670-L674 WeakPolarHBondContact O-CG 3.35Å; L670-L674 PolarHBondContact O-N 3.4Å; M671-L674 PolarHBondContact O-N 3.11Å; L674-K676 VanDerWaalsContact C-N 3.29Å |
| 675 | A | 87.8 | Confident | 73.4 | Confident | 15 Ų | 15 | 78.5 Ų | 78.5 | 12% | 0.124 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 0.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | H533 M671 K672 I673 Y677 | H533-A675 PolarHBondContact CE1-O 3.07Å; H533-A675 PolarHBondContact NE2-O 3.28Å; H533-A675 VanDerWaalsContact NE2-O 3.14Å; M671-A675 VanDerWaalsContact O-CB 3.27Å; M671-A675 WeakPolarHBondContact O-CB 3.48Å; M671-A675 PolarHBondContact O-N 3.13Å; K672-A675 CarbonylContact O-C 3.53Å; K672-A675 PolarHBondContact O-N 2.7Å; I673-A675 PolarHBondContact O-N 3.18Å; A675-Y677 HydrophobicContact CB-CD2 3.79Å; A675-Y677 HydrophobicContact CB-CE2 3.76Å |
| 676 | K | 85.6 | Confident | 71.2 | Confident | 175 Ų | 175 | 77 Ų | 77 | 76% | 0.761 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 34.7 | 179.1 | -53 | -176.5 | 175 | -174.2 | 0 | 115.1 | K672 I673 L674 | K672-K676 PolarHBondContact O-N 3.48Å; I673-K676 WeakPolarHBondContact O-CA 3.45Å; I673-K676 PolarHBondContact O-N 2.88Å; L674-K676 VanDerWaalsContact C-N 3.29Å |
| 677 | Y | 79.4 | Confident | 69.5 | Low | 44 Ų | 44 | 73.3 Ų | 73.3 | 17% | 0.173 | 39% | 0.393 | C | S | . | . | trans | -72.7 | 148.5 | 164.5 | -72.7 | -103.2 | 0 | 0 | 0 | 110 | D513 N530 H533 K672 A675 T679 | D513-Y677 WeakPolarHBondContact O-CE2 3.22Å; D513-Y677 PolarHBondContact O-OH 2.93Å; N530-Y677 WeakPolarHBondContact OD1-CE1 3.45Å; N530-Y677 PolarHBondContact OD1-OH 2.65Å; H533-Y677 HydrophobicContact CB-CE1 3.79Å; H533-Y677 AromaticContact CD2-CE2 3.57Å; H533-Y677 AromaticContact CD2-CZ 3.4Å; H533-Y677 VanDerWaalsContact CD2-CZ 3.4Å; H533-Y677 PolarHBondContact CD2-OH 3.11Å; H533-Y677 VanDerWaalsContact CD2-OH 3.28Å; H533-Y677 AromaticContact CE1-CD2 3.87Å; H533-Y677 AromaticContact CE1-CE2 3.73Å; H533-Y677 AromaticContact CG-CE1 3.66Å; H533-Y677 AromaticContact CG-CE2 3.85Å; H533-Y677 AromaticContact CG-CZ 3.43Å; H533-Y677 VanDerWaalsContact CG-CZ 3.43Å; H533-Y677 AromaticContact ND1-CE1 3.97Å; H533-Y677 AromaticContact ND1-CE2 3.95Å; H533-Y677 AromaticContact ND1-CZ 3.89Å; H533-Y677 AromaticContact NE2-CE2 3.54Å; H533-Y677 AromaticContact NE2-CZ 3.89Å; K672-Y677 WeakPolarHBondContact O-CB 3.37Å; K672-Y677 PolarHBondContact O-N 3.44Å; A675-Y677 HydrophobicContact CB-CD2 3.79Å; A675-Y677 HydrophobicContact CB-CE2 3.76Å; Y677-T679 PolarHBondContact O-N 3.24Å | ||
| 678 | K | 64.7 | Low | 67.9 | Low | 221 Ų | 221 | 80.8 Ų | 80.8 | 96% | 0.961 | 43% | 0.428 | S | S | * | . | trans | -76 | 90.2 | 172.1 | -69.4 | -175.4 | 179.6 | -179 | 0 | 108.8 | ||||
| 679 | T | 60.7 | Low | 66.2 | Low | 63 Ų | 63 | 82.8 Ų | 82.8 | 39% | 0.387 | 44% | 0.44 | S | S | . | . | trans | -132.4 | 139.8 | 179.2 | -46.3 | 0 | 0 | 0 | 0 | 109.1 | Y677 | Y677-T679 PolarHBondContact O-N 3.24Š| ||
| 680 | S | 50.3 | Low | 64.9 | Low | 112 Ų | 112 | 84.4 Ų | 84.4 | 78% | 0.783 | 44% | 0.443 | S | S | * | . | trans | -78.9 | 129.2 | 168.3 | 50 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 681 | Y | 51.3 | Low | 64 | Low | 83 Ų | 83 | 88.3 Ų | 88.3 | 33% | 0.325 | 46% | 0.461 | S | S | . | . | trans | -85.8 | 127 | 168.8 | -162.2 | -110.1 | 0 | 0 | 0 | 108.5 | L243 P669 I673 V683 | L243-Y681 HydrophobicContact CD1-CD1 4.15Å; L243-Y681 HydrophobicContact CD1-CE1 3.51Å; L243-Y681 HydrophobicContact CD2-CD1 4.2Å; L243-Y681 HydrophobicContact CD2-CE1 4.39Å; P669-Y681 HydrophobicContact CB-CD2 4.12Å; P669-Y681 HydrophobicContact CB-CE2 4.16Å; I673-Y681 HydrophobicContact CD1-CD2 3.21Å; I673-Y681 HydrophobicContact CD1-CE2 4.03Å; I673-Y681 HydrophobicContact CD1-CG 3.71Å; Y681-V683 PolarHBondContact O-N 3.33Å | ||
| 682 | D | 47.2 | Very low | 62.5 | Low | 119 Ų | 119 | 87.8 Ų | 87.8 | 64% | 0.636 | 46% | 0.459 | S | S | * | . | trans | -76.7 | 112 | 173.3 | -161.7 | -20.3 | 0 | 0 | 0 | 108.4 | S684 | D682-S684 PolarHBondContact O-N 3.5Å; D682-S684 VanDerWaalsContact OD1-CB 3.27Å; D682-S684 WeakPolarHBondContact OD1-CB 3.29Å; D682-S684 PolarHBondContact OD1-N 3.27Å; D682-S684 VanDerWaalsContact OD1-N 3.13Å; D682-S684 PolarHBondContact OD1-OG 2.87Å; D682-S684 PolarHBondContact OD2-OG 2.92Å | ||
| 683 | V | 49.9 | Very low | 60.7 | Low | 73 Ų | 73 | 89.2 Ų | 89.2 | 44% | 0.442 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -83.5 | -0.1 | -176.9 | -161.9 | 0 | 0 | 0 | 0 | 110.9 | E247 Y681 D685 A686 | E247-V683 VanDerWaalsContact OE1-CG1 3.25Å; E247-V683 WeakPolarHBondContact OE1-CG1 3.41Å; Y681-V683 PolarHBondContact O-N 3.33Å; V683-D685 PolarHBondContact O-N 2.87Å; V683-A686 HydrophobicContact CG1-CB 4.19Å; V683-A686 WeakPolarHBondContact O-CB 3.18Å; V683-A686 PolarHBondContact O-N 3.03Å |
| 684 | S | 40.7 | Very low | 58.7 | Low | 94 Ų | 94 | 96.2 Ų | 96.2 | 66% | 0.657 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -65.6 | -21.5 | -178.5 | 56.4 | 0 | 0 | 0 | 0 | 114.5 | D682 | D682-S684 PolarHBondContact O-N 3.5Å; D682-S684 VanDerWaalsContact OD1-CB 3.27Å; D682-S684 WeakPolarHBondContact OD1-CB 3.29Å; D682-S684 PolarHBondContact OD1-N 3.27Å; D682-S684 VanDerWaalsContact OD1-N 3.13Å; D682-S684 PolarHBondContact OD1-OG 2.87Å; D682-S684 PolarHBondContact OD2-OG 2.92Å |
| 685 | D | 43.3 | Very low | 56.6 | Low | 156 Ų | 156 | 93.3 Ų | 93.3 | 83% | 0.834 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -96.7 | 14.7 | 177.6 | -105.2 | -3.6 | 0 | 0 | 0 | 113.5 | V683 G687 | V683-D685 PolarHBondContact O-N 2.87Å; D685-G687 PolarHBondContact O-N 2.99Å |
| 686 | A | 45.7 | Very low | 54.4 | Low | 27 Ų | 27 | 98.9 Ų | 98.9 | 22% | 0.223 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 127.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E247 V683 Q688 | E247-A686 WeakPolarHBondContact OE1-CB 3.35Å; E247-A686 WeakPolarHBondContact OE2-CB 3.25Å; V683-A686 HydrophobicContact CG1-CB 4.19Å; V683-A686 WeakPolarHBondContact O-CB 3.18Å; V683-A686 PolarHBondContact O-N 3.03Å; A686-Q688 PolarHBondContact O-N 3.46Å |
| 687 | G | 51.9 | Low | 51.8 | Low | 26 Ų | 26 | 92.1 Ų | 92.1 | 27% | 0.268 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 125.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R266 D685 | R266-G687 WeakPolarHBondContact CD-O 3.36Å; R266-G687 PolarHBondContact NE-O 3.03Å; D685-G687 PolarHBondContact O-N 2.99Å |
| 688 | Q | 55.7 | Low | 49.5 | Very low | 168 Ų | 168 | 98.9 Ų | 98.9 | 79% | 0.785 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 153.3 | 168.7 | -66.3 | -173.7 | -6.1 | 0 | 0 | 110.2 | A686 E690 | A686-Q688 PolarHBondContact O-N 3.46Å; Q688-E690 PolarHBondContact O-N 3.11Å |
| 689 | L | 51.4 | Low | 47.9 | Very low | 66 Ų | 66 | 97.5 Ų | 97.5 | 35% | 0.346 | 50% | 0.502 | S | S | . | . | B | Isolated β-bridge | trans | -62 | 117.1 | 173.3 | -111.7 | 145.8 | 0 | 0 | 0 | 109.5 | T252 P253 C255 P268 | T252-L689 HydrophobicContact CG2-CD1 3.96Å; P253-L689 HydrophobicContact CG-CD1 4.03Å; P253-L689 HydrophobicContact CG-CD2 4.34Å; C255-L689 HydrophobicContact CB-CD2 4.21Å; P268-L689 HydrophobicContact CB-CD2 4.47Å; P268-L689 HydrophobicContact CG-CD2 3.72Å |
| 690 | E | 60.4 | Low | 46.2 | Very low | 86 Ų | 86 | 101.8 Ų | 101.8 | 40% | 0.402 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -101.5 | 132.7 | 178.6 | -66.7 | -169.7 | 178.8 | 0 | 0 | 110.5 | R266 L267 P268 Q688 | R266-E690 PolarHBondContact O-N 3.18Å; L267-E690 HydrophobicContact CD2-CB 4.11Å; L267-E690 WeakPolarHBondContact CD2-O 3.41Å; P268-E690 WeakPolarHBondContact CD-O 3.15Å; Q688-E690 PolarHBondContact O-N 3.11Å |
| 691 | H | 67.7 | Low | 45.1 | Very low | 89 Ų | 89 | 105.9 Ų | 105.9 | 41% | 0.412 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 141.8 | 173.5 | -71.2 | -75.7 | 0 | 0 | 0 | 111 | E271 T693 R694 V695 | E271-H691 IonicContact OE1-CE1 2.72Å; E271-H691 IonicContact OE1-CG 2.68Å; E271-H691 IonicContact OE1-ND1 3.14Å; E271-H691 PolarHBondContact OE1-ND1 2.97Å; E271-H691 IonicContact OE2-ND1 3.35Å; H691-T693 PolarHBondContact O-N 3.44Å; H691-T693 VanDerWaalsContact O-N 3.12Å; H691-R694 PolarHBondContact O-N 3.36Å; H691-V695 PolarHBondContact O-N 2.97Å |
| 692 | V | 55.8 | Low | 44.8 | Very low | 6 Ų | 6 | 107 Ų | 107 | 4% | 0.036 | 55% | 0.546 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -27.2 | -176.8 | -168.4 | 0 | 0 | 0 | 0 | 111.6 | L267 E271 M275 V695 | L267-V692 HydrophobicContact CB-CG2 4.44Å; L267-V692 HydrophobicContact CD1-CG2 4.41Å; L267-V692 HydrophobicContact CD2-CG2 4.42Å; E271-V692 HydrophobicContact CB-CB 4.47Å; E271-V692 HydrophobicContact CB-CG2 3.69Å; E271-V692 WeakPolarHBondContact OE2-CG2 3.45Å; E271-V692 PolarHBondContact OE2-N 3.35Å; M275-V692 HydrophobicContact CE-CG1 3.82Å; M275-V692 HydrophobicContact SD-CB 3.86Å; M275-V692 HydrophobicContact SD-CG1 3.27Å; M275-V692 WeakPolarHBondContact SD-CG1 3.33Å; V692-V695 WeakPolarHBondContact O-CB 3.5Å; V692-V695 PolarHBondContact O-N 2.79Å |
| 693 | T | 49.7 | Very low | 44.7 | Very low | 106 Ų | 106 | 106.4 Ų | 106.4 | 65% | 0.65 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -28.6 | 175.2 | 52.8 | 0 | 0 | 0 | 0 | 113.9 | H691 R696 | H691-T693 PolarHBondContact O-N 3.44Å; H691-T693 VanDerWaalsContact O-N 3.12Å; T693-R696 PolarHBondContact O-N 3.07Å |
| 694 | R | 44.9 | Very low | 44.4 | Very low | 203 Ų | 203 | 108.2 Ų | 108.2 | 77% | 0.766 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -20.3 | 174.6 | -71.3 | -174.5 | 178.4 | 178.7 | 1 | 112.9 | H691 R696 | H691-R694 PolarHBondContact O-N 3.36Å; R694-R696 PolarHBondContact O-N 3.13Å |
| 695 | V | 44.8 | Very low | 44.6 | Very low | 27 Ų | 27 | 109.1 Ų | 109.1 | 16% | 0.164 | 54% | 0.54 | C | S | . | . | S | Bend | trans | -67.3 | -18.8 | 171.3 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | V260 I265 L267 R638 H691 V692 | V260-V695 HydrophobicContact CG1-CG1 3.76Å; V260-V695 HydrophobicContact CG2-CG1 4.19Å; I265-V695 HydrophobicContact CD1-CG2 4.22Å; L267-V695 HydrophobicContact CD2-CG2 4.02Å; R638-V695 PolarHBondContact NH1-O 2.83Å; H691-V695 PolarHBondContact O-N 2.97Å; V692-V695 WeakPolarHBondContact O-CB 3.5Å; V692-V695 PolarHBondContact O-N 2.79Å |
| 696 | R | 41.4 | Very low | 44.7 | Very low | 133 Ų | 133 | 106.1 Ų | 106.1 | 50% | 0.502 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -85.6 | 121.9 | 168.8 | -62.2 | -175.9 | 178.8 | -178.2 | 1 | 110.7 | M275 T693 R694 | M275-R696 VanDerWaalsContact CE-NH2 3.3Å; T693-R696 PolarHBondContact O-N 3.07Å; R694-R696 PolarHBondContact O-N 3.13Å |
| 697 | P | 31.6 | Very low | 44.6 | Very low | 32 Ų | 32 | 111.4 Ų | 111.4 | 21% | 0.208 | 54% | 0.541 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 150.1 | 164.7 | -15.4 | 30.2 | 0 | 0 | 0 | 110.1 | ||
| 698 | K | 30.4 | Very low | 44.1 | Very low | 187 Ų | 187 | 117.5 Ų | 117.5 | 81% | 0.813 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 150.2 | 166.7 | -72 | 179.1 | 175.1 | 178.7 | 0 | 109.3 | N700 | K698-N700 PolarHBondContact O-N 3.49Š|
| 699 | E | 31.6 | Very low | 43.2 | Very low | 192 Ų | 192 | 113.6 Ų | 113.6 | 90% | 0.897 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 5.1 | -173.5 | -73.9 | 179.3 | 146.5 | 0 | 0 | 116.6 | ||
| 700 | N | 24.7 | Very low | 42.5 | Very low | 152 Ų | 152 | 117.6 Ų | 117.6 | 81% | 0.813 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | 12.6 | -171.2 | -76.9 | -3.8 | 0 | 0 | 0 | 116.3 | K698 | K698-N700 PolarHBondContact O-N 3.49Š|
| 701 | D | 27.1 | Very low | 40.9 | Very low | 198 Ų | 198 | 120.5 Ų | 120.5 | 100% | 1.059 | 58% | 0.575 | S | S | * | * | trans | -116.8 | 0 | 175.7 | -72.1 | -21.3 | 0 | 0 | 0 | 114 |
Retrieved 701 of 701 residues in 512.3 ms
(Link to these results)