| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 80 | Confident | 89.5 | Confident | 206 Ų | 206 | 105.6 Ų | 105.6 | 100% | 1.015 | 51% | 0.512 | S | S | * | . | 0 | 130.7 | 0 | -71.1 | 175.3 | 156 | 0 | 0 | 108.6 | R186 L187 | M1-R186 VanDerWaalsContact O-CA 3.29Å; M1-R186 WeakPolarHBondContact O-CA 3.33Å; M1-L187 PolarHBondContact O-N 2.66Å | |||
| 2 | I | 88.6 | Confident | 89.7 | Confident | 123 Ų | 123 | 102.4 Ų | 102.4 | 63% | 0.631 | 50% | 0.499 | S | S | * | . | B | Isolated β-bridge | trans | -84.4 | 135.3 | 171.6 | -63.5 | 170.6 | 0 | 0 | 0 | 106.6 | I4 G185 | I2-I4 PolarHBondContact O-N 2.72Å; I2-G185 WeakPolarHBondContact CA-O 3.4Å |
| 3 | L | 88.8 | Confident | 89.9 | Confident | 35 Ų | 35 | 100 Ų | 100 | 18% | 0.183 | 49% | 0.486 | C | S | . | . | trans | -73.6 | 110 | 173.7 | -174.9 | 64 | 0 | 0 | 0 | 108.2 | G5 P155 Y180 T182 G185 L187 | L3-G5 WeakPolarHBondContact CD1-O 3.39Å; L3-P155 HydrophobicContact CD2-CG 4.26Å; L3-Y180 HydrophobicContact CD2-CG 4.35Å; L3-T182 HydrophobicContact CB-CG2 4.48Å; L3-T182 HydrophobicContact CD2-CG2 4.08Å; L3-G185 PolarHBondContact N-O 2.79Å; L3-L187 HydrophobicContact CB-CB 4.4Å | ||
| 4 | I | 89.2 | Confident | 90 | Very high | 141 Ų | 141 | 99.2 Ų | 99.2 | 72% | 0.723 | 48% | 0.484 | S | S | * | . | trans | -86.3 | -32.1 | 178.9 | -61.7 | 170.2 | 0 | 0 | 0 | 110.5 | I2 | I2-I4 PolarHBondContact O-N 2.72Š| ||
| 5 | G | 90.7 | Very high | 90 | Very high | 16 Ų | 16 | 95.3 Ų | 95.3 | 17% | 0.165 | 47% | 0.466 | C | S | . | . | trans | 170.6 | -166 | 180 | 0 | 0 | 0 | 0 | 0 | 111 | L3 D152 | L3-G5 WeakPolarHBondContact CD1-O 3.39Å; G5-D152 CarbonylContact C-O 3.54Å; G5-D152 WeakPolarHBondContact CA-O 2.83Å | ||
| 6 | S | 89.7 | Confident | 90 | Very high | 21 Ų | 21 | 95.2 Ų | 95.2 | 15% | 0.147 | 47% | 0.468 | C | S | . | . | B | Isolated β-bridge | trans | -128.6 | 150.5 | 176.8 | 77.2 | 0 | 0 | 0 | 0 | 111.9 | D152 | S6-D152 PolarHBondContact N-O 2.84Å; S6-D152 PolarHBondContact O-N 3.32Å |
| 7 | I | 91.6 | Very high | 90.1 | Very high | 59 Ų | 59 | 94.4 Ų | 94.4 | 30% | 0.303 | 46% | 0.462 | S | S | . | . | trans | -120.5 | 131.9 | 172.5 | -60.1 | 172.4 | 0 | 0 | 0 | 107 | Q11 L12 I150 I151 | I7-Q11 HydrophobicContact CG2-CB 4.11Å; I7-Q11 HydrophobicContact CG2-CG 4.34Å; I7-L12 HydrophobicContact CG2-CB 4.23Å; I7-I150 HydrophobicContact CD1-CD1 3.93Å; I7-I150 HydrophobicContact CD1-CG1 4.11Å; I7-I150 HydrophobicContact CG1-CG1 4.28Å; I7-I150 HydrophobicContact CG2-CD1 4.47Å; I7-I151 HydrophobicContact CD1-CG1 4.04Å; I7-I151 HydrophobicContact CG1-CG1 4.01Å | ||
| 8 | K | 90.8 | Very high | 90 | Very high | 169 Ų | 169 | 95 Ų | 95 | 74% | 0.735 | 47% | 0.468 | S | S | * | . | trans | -64.1 | 138.1 | 174.5 | -69.6 | -179.2 | -176.9 | 170.3 | 0 | 109.5 | L10 Q11 L12 | K8-L10 VanDerWaalsContact C-N 3.27Å; K8-L10 PolarHBondContact O-N 2.77Å; K8-Q11 HydrophobicContact CB-CB 4.47Å; K8-Q11 WeakPolarHBondContact O-CB 3.49Å; K8-Q11 PolarHBondContact O-N 3.11Å; K8-L12 PolarHBondContact O-N 3.22Å; K8-L12 VanDerWaalsContact O-N 3.11Å | ||
| 9 | R | 91.3 | Very high | 90 | Very high | 190 Ų | 190 | 91.7 Ų | 91.7 | 72% | 0.717 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -50.6 | -45.7 | 178.8 | 179.9 | 176.9 | 172.3 | 102.3 | 14.4 | 112.8 | Q11 L12 E13 | R9-Q11 VanDerWaalsContact C-N 3.31Å; R9-Q11 PolarHBondContact O-N 2.74Å; R9-L12 WeakPolarHBondContact O-CB 3.41Å; R9-L12 PolarHBondContact O-N 3.43Å; R9-E13 HydrophobicContact CG-CG 4.26Å; R9-E13 IonicContact CZ-OE1 3.3Å; R9-E13 IonicContact NE-OE1 3.11Å; R9-E13 PolarHBondContact NE-OE1 3.49Å; R9-E13 IonicContact NH2-OE1 2.82Å; R9-E13 PolarHBondContact NH2-OE1 3.19Å; R9-E13 WeakPolarHBondContact O-CG 3.41Å; R9-E13 PolarHBondContact O-N 3.18Å |
| 10 | L | 92.3 | Very high | 90.1 | Very high | 126 Ų | 126 | 88.8 Ų | 88.8 | 66% | 0.66 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -58.8 | -41.2 | 178.8 | -66.4 | 176.4 | 0 | 0 | 0 | 112.4 | K8 L12 E13 L14 | K8-L10 VanDerWaalsContact C-N 3.27Å; K8-L10 PolarHBondContact O-N 2.77Å; L10-L12 VanDerWaalsContact C-N 3.35Å; L10-E13 PolarHBondContact O-N 3.13Å; L10-L14 WeakPolarHBondContact O-CG 3.29Å; L10-L14 PolarHBondContact O-N 2.97Å |
| 11 | Q | 91.9 | Very high | 90.1 | Very high | 76 Ų | 76 | 85 Ų | 85 | 36% | 0.355 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 178.6 | -172.2 | 66.8 | 3 | 0 | 0 | 111.1 | I7 K8 R9 L14 L15 I150 | I7-Q11 HydrophobicContact CG2-CB 4.11Å; I7-Q11 HydrophobicContact CG2-CG 4.34Å; K8-Q11 HydrophobicContact CB-CB 4.47Å; K8-Q11 WeakPolarHBondContact O-CB 3.49Å; K8-Q11 PolarHBondContact O-N 3.11Å; R9-Q11 VanDerWaalsContact C-N 3.31Å; R9-Q11 PolarHBondContact O-N 2.74Å; Q11-L14 PolarHBondContact O-N 3.33Å; Q11-L15 HydrophobicContact CG-CD1 4.26Å; Q11-L15 WeakPolarHBondContact O-CD1 3.35Å; Q11-L15 VanDerWaalsContact O-CG 3.26Å; Q11-L15 WeakPolarHBondContact O-CG 3.43Å; Q11-L15 PolarHBondContact O-N 2.88Å; Q11-I150 HydrophobicContact CG-CB 4.09Å; Q11-I150 HydrophobicContact CG-CG2 4.21Å |
| 12 | L | 92.1 | Very high | 90.5 | Very high | 67 Ų | 67 | 78.2 Ų | 78.2 | 35% | 0.351 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 174.8 | -177.6 | 62.9 | 0 | 0 | 0 | 111.5 | I7 K8 R9 L10 L15 L16 F146 | I7-L12 HydrophobicContact CG2-CB 4.23Å; K8-L12 PolarHBondContact O-N 3.22Å; K8-L12 VanDerWaalsContact O-N 3.11Å; R9-L12 WeakPolarHBondContact O-CB 3.41Å; R9-L12 PolarHBondContact O-N 3.43Å; L10-L12 VanDerWaalsContact C-N 3.35Å; L12-L15 PolarHBondContact O-N 3.38Å; L12-L16 HydrophobicContact CD1-CD1 4.43Å; L12-L16 HydrophobicContact CD1-CG 4.42Å; L12-L16 HydrophobicContact CG-CD1 4.11Å; L12-L16 WeakPolarHBondContact O-CB 3.18Å; L12-L16 VanDerWaalsContact O-CG 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.3Å; L12-L16 PolarHBondContact O-N 3.14Å; L12-F146 HydrophobicContact CD1-CE1 3.96Å; L12-F146 HydrophobicContact CD1-CZ 4.12Å |
| 13 | E | 92.4 | Very high | 90.6 | Very high | 71 Ų | 71 | 75.2 Ų | 75.2 | 33% | 0.332 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60 | -46.5 | 176.4 | -75.5 | 172.8 | 169.2 | 0 | 0 | 111.5 | R9 L10 L15 L16 E17 | R9-E13 HydrophobicContact CG-CG 4.26Å; R9-E13 IonicContact CZ-OE1 3.3Å; R9-E13 IonicContact NE-OE1 3.11Å; R9-E13 PolarHBondContact NE-OE1 3.49Å; R9-E13 IonicContact NH2-OE1 2.82Å; R9-E13 PolarHBondContact NH2-OE1 3.19Å; R9-E13 WeakPolarHBondContact O-CG 3.41Å; R9-E13 PolarHBondContact O-N 3.18Å; L10-E13 PolarHBondContact O-N 3.13Å; E13-L15 VanDerWaalsContact C-N 3.34Å; E13-L15 PolarHBondContact O-N 2.99Å; E13-L16 PolarHBondContact O-N 3.25Å; E13-E17 WeakPolarHBondContact O-CB 3.42Å; E13-E17 PolarHBondContact O-N 2.87Å |
| 14 | L | 90.8 | Very high | 90.7 | Very high | 89 Ų | 89 | 74.1 Ų | 74.1 | 47% | 0.466 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 176.5 | -71.9 | 171.8 | 0 | 0 | 0 | 112.4 | L10 Q11 E17 N18 | L10-L14 WeakPolarHBondContact O-CG 3.29Å; L10-L14 PolarHBondContact O-N 2.97Å; Q11-L14 PolarHBondContact O-N 3.33Å; L14-E17 PolarHBondContact O-N 3Å; L14-N18 VanDerWaalsContact O-CB 3.31Å; L14-N18 WeakPolarHBondContact O-CB 3.08Å; L14-N18 PolarHBondContact O-N 2.92Å; L14-N18 PolarHBondContact O-ND2 3.03Å |
| 15 | L | 90 | Very high | 90.8 | Very high | 41 Ų | 41 | 69 Ų | 69 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.5 | -40.7 | 177.6 | -71.7 | 165.7 | 0 | 0 | 0 | 111.8 | Q11 L12 E13 H19 F146 I150 | Q11-L15 HydrophobicContact CG-CD1 4.26Å; Q11-L15 WeakPolarHBondContact O-CD1 3.35Å; Q11-L15 VanDerWaalsContact O-CG 3.26Å; Q11-L15 WeakPolarHBondContact O-CG 3.43Å; Q11-L15 PolarHBondContact O-N 2.88Å; L12-L15 PolarHBondContact O-N 3.38Å; E13-L15 VanDerWaalsContact C-N 3.34Å; E13-L15 PolarHBondContact O-N 2.99Å; L15-H19 WeakPolarHBondContact O-CB 3.32Å; L15-H19 PolarHBondContact O-N 2.9Å; L15-H19 VanDerWaalsContact O-N 3.09Å; L15-F146 HydrophobicContact CB-CE1 4.42Å; L15-F146 HydrophobicContact CD1-CD1 3.84Å; L15-F146 HydrophobicContact CD1-CE1 4Å; L15-I150 HydrophobicContact CD1-CD1 3.31Å |
| 16 | L | 90.2 | Very high | 90.8 | Very high | 93 Ų | 93 | 70.1 Ų | 70.1 | 49% | 0.487 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 175 | -69.9 | 172.6 | 0 | 0 | 0 | 111.8 | L12 E13 N18 H19 V20 G21 | L12-L16 HydrophobicContact CD1-CD1 4.43Å; L12-L16 HydrophobicContact CD1-CG 4.42Å; L12-L16 HydrophobicContact CG-CD1 4.11Å; L12-L16 WeakPolarHBondContact O-CB 3.18Å; L12-L16 VanDerWaalsContact O-CG 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.3Å; L12-L16 PolarHBondContact O-N 3.14Å; E13-L16 PolarHBondContact O-N 3.25Å; L16-N18 VanDerWaalsContact C-N 3.33Å; L16-N18 PolarHBondContact O-N 3.31Å; L16-H19 PolarHBondContact O-N 2.91Å; L16-V20 PolarHBondContact O-N 3.24Å; L16-G21 PolarHBondContact O-N 3.37Å |
| 17 | E | 90.7 | Very high | 90.9 | Very high | 81 Ų | 81 | 78 Ų | 78 | 38% | 0.379 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.1 | -38 | 178 | -175.1 | 167.8 | -168.6 | 0 | 0 | 112.1 | E13 L14 H19 G21 T23 | E13-E17 WeakPolarHBondContact O-CB 3.42Å; E13-E17 PolarHBondContact O-N 2.87Å; L14-E17 PolarHBondContact O-N 3Å; E17-H19 VanDerWaalsContact C-N 3.32Å; E17-G21 WeakPolarHBondContact O-CA 2.97Å; E17-G21 PolarHBondContact O-N 2.66Å; E17-T23 PolarHBondContact OE1-OG1 2.66Å |
| 18 | N | 89.3 | Confident | 90.9 | Very high | 106 Ų | 106 | 78.1 Ų | 78.1 | 57% | 0.567 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -73.9 | -20.1 | 175.2 | -72.6 | -18.9 | 0 | 0 | 0 | 113.7 | L14 L16 A24 | L14-N18 VanDerWaalsContact O-CB 3.31Å; L14-N18 WeakPolarHBondContact O-CB 3.08Å; L14-N18 PolarHBondContact O-N 2.92Å; L14-N18 PolarHBondContact O-ND2 3.03Å; L16-N18 VanDerWaalsContact C-N 3.33Å; L16-N18 PolarHBondContact O-N 3.31Å; N18-A24 WeakPolarHBondContact O-CB 3.47Å |
| 19 | H | 89.9 | Confident | 90.9 | Very high | 33 Ų | 33 | 70.3 Ų | 70.3 | 15% | 0.153 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -94.8 | -53.1 | 179.9 | -168.6 | 60.2 | 0 | 0 | 0 | 113.1 | L15 L16 E17 K139 E142 V144 | L15-H19 WeakPolarHBondContact O-CB 3.32Å; L15-H19 PolarHBondContact O-N 2.9Å; L15-H19 VanDerWaalsContact O-N 3.09Å; L16-H19 PolarHBondContact O-N 2.91Å; E17-H19 VanDerWaalsContact C-N 3.32Å; H19-K139 PolarHBondContact NE2-O 3.35Å; H19-E142 IonicContact CE1-OE2 3.36Å; H19-E142 PolarHBondContact CE1-OE2 3.12Å; H19-V144 HydrophobicContact CB-CG2 4.36Å; H19-V144 WeakPolarHBondContact CD2-CG2 2.98Å; H19-V144 VanDerWaalsContact NE2-CG2 3.26Å; H19-V144 WeakPolarHBondContact NE2-CG2 3.36Å |
| 20 | V | 90.9 | Very high | 90.9 | Very high | 32 Ų | 32 | 64.6 Ų | 64.6 | 19% | 0.194 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | -7.1 | -174.7 | -164.5 | 0 | 0 | 0 | 0 | 112.2 | L16 K139 L140 | L16-V20 PolarHBondContact O-N 3.24Å; V20-K139 HydrophobicContact CG2-CB 4.29Å; V20-L140 HydrophobicContact CG1-CD2 4.12Å; V20-L140 HydrophobicContact CG1-CG 4.09Å; V20-L140 HydrophobicContact CG2-CD2 4.11Å |
| 21 | G | 90.3 | Very high | 90.9 | Very high | 11 Ų | 11 | 61 Ų | 61 | 11% | 0.113 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -71.2 | 176.7 | -175 | 0 | 0 | 0 | 0 | 0 | 114.8 | L16 E17 T23 A24 R25 | L16-G21 PolarHBondContact O-N 3.37Å; E17-G21 WeakPolarHBondContact O-CA 2.97Å; E17-G21 PolarHBondContact O-N 2.66Å; G21-T23 PolarHBondContact O-N 3.3Å; G21-A24 PolarHBondContact O-N 2.92Å; G21-R25 PolarHBondContact O-N 2.88Å |
| 22 | P | 89.5 | Confident | 90.8 | Very high | 63 Ų | 63 | 60.8 Ų | 60.8 | 41% | 0.409 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56 | -37.2 | 178.2 | -23.5 | 33.9 | 0 | 0 | 0 | 112.8 | R25 K26 | P22-R25 PolarHBondContact O-N 3.44Å; P22-K26 WeakPolarHBondContact O-CB 3.26Å; P22-K26 WeakPolarHBondContact O-CG 3.29Å; P22-K26 PolarHBondContact O-N 3.22Å |
| 23 | T | 90 | Very high | 90.6 | Very high | 59 Ų | 59 | 60.6 Ų | 60.6 | 36% | 0.362 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.8 | -49.2 | 179.3 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | E17 G21 R25 K26 R27 | E17-T23 PolarHBondContact OE1-OG1 2.66Å; G21-T23 PolarHBondContact O-N 3.3Å; T23-R25 PolarHBondContact O-N 3.23Å; T23-K26 PolarHBondContact O-N 2.9Å; T23-R27 WeakPolarHBondContact O-CB 3.25Å; T23-R27 PolarHBondContact O-N 3.01Å |
| 24 | A | 90.6 | Very high | 90.5 | Very high | 12 Ų | 12 | 63.6 Ų | 63.6 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.7 | -45 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | N18 G21 R27 E28 W135 | N18-A24 WeakPolarHBondContact O-CB 3.47Å; G21-A24 PolarHBondContact O-N 2.92Å; A24-R27 WeakPolarHBondContact O-CB 3.47Å; A24-R27 PolarHBondContact O-N 3.38Å; A24-E28 PolarHBondContact O-N 3.42Å; A24-W135 HydrophobicContact CB-CH2 3.8Å; A24-W135 HydrophobicContact CB-CZ2 4.34Å |
| 25 | R | 92.7 | Very high | 90.5 | Very high | 34 Ų | 34 | 64.7 Ų | 64.7 | 13% | 0.128 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 179.2 | -169.8 | 178.9 | 64.9 | -141.2 | -4 | 112.7 | G21 P22 T23 E28 A29 D126 L127 W135 E136 | G21-R25 PolarHBondContact O-N 2.88Å; P22-R25 PolarHBondContact O-N 3.44Å; T23-R25 PolarHBondContact O-N 3.23Å; R25-E28 WeakPolarHBondContact O-CB 3.23Å; R25-E28 PolarHBondContact O-N 3.44Å; R25-A29 PolarHBondContact O-N 3.25Å; R25-D126 WeakPolarHBondContact CD-OD1 3.37Å; R25-D126 WeakPolarHBondContact CG-OD1 3.38Å; R25-D126 IonicContact CZ-OD1 2.91Å; R25-D126 IonicContact CZ-OD2 3.7Å; R25-D126 IonicContact NE-OD1 2.68Å; R25-D126 PolarHBondContact NE-OD1 2.89Å; R25-D126 IonicContact NE-OD2 2.74Å; R25-D126 PolarHBondContact NE-OD2 2.94Å; R25-D126 VanDerWaalsContact NE-OD2 3.17Å; R25-D126 IonicContact NH2-OD1 3.81Å; R25-D126 IonicContact NH2-OD2 3.8Å; R25-D126 PolarHBondContact NH2-OD2 3.15Å; R25-L127 HydrophobicContact CG-CB 4.09Å; R25-L127 HydrophobicContact CG-CD1 4Å; R25-L127 HydrophobicContact CG-CG 4.11Å; R25-W135 HydrophobicContact CB-CE3 4.23Å; R25-W135 HydrophobicContact CB-CH2 3.99Å; R25-W135 HydrophobicContact CB-CZ3 3.68Å; R25-W135 HydrophobicContact CG-CE3 4.03Å; R25-W135 HydrophobicContact CG-CZ3 4Å; R25-E136 IonicContact CZ-OE1 2.7Å; R25-E136 IonicContact NH1-OE1 3.43Å; R25-E136 PolarHBondContact NH1-OE1 3.41Å |
| 26 | K | 90.4 | Very high | 90.6 | Very high | 40 Ų | 40 | 69.5 Ų | 69.5 | 17% | 0.174 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67 | -39.1 | 176.6 | -73 | 170.8 | 172.3 | -171.5 | 0 | 112 | P22 T23 E28 A29 L30 E122 | P22-K26 WeakPolarHBondContact O-CB 3.26Å; P22-K26 WeakPolarHBondContact O-CG 3.29Å; P22-K26 PolarHBondContact O-N 3.22Å; T23-K26 PolarHBondContact O-N 2.9Å; K26-E28 VanDerWaalsContact C-N 3.28Å; K26-E28 PolarHBondContact O-N 3.47Å; K26-A29 PolarHBondContact O-N 3.25Å; K26-L30 WeakPolarHBondContact O-CB 3.33Å; K26-L30 VanDerWaalsContact O-CG 3.32Å; K26-L30 WeakPolarHBondContact O-CG 3.4Å; K26-L30 PolarHBondContact O-N 2.89Å; K26-E122 HydrophobicContact CD-CG 4.03Å; K26-E122 WeakPolarHBondContact CD-O 3.19Å; K26-E122 VanDerWaalsContact CE-O 3.28Å; K26-E122 WeakPolarHBondContact CE-O 3.48Å |
| 27 | R | 91.4 | Very high | 90.5 | Very high | 186 Ų | 186 | 70.5 Ų | 70.5 | 70% | 0.702 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -58.3 | -43.6 | 174.7 | -178 | -175.8 | 171.9 | 91.2 | -0.4 | 111 | T23 A24 L30 A31 | T23-R27 WeakPolarHBondContact O-CB 3.25Å; T23-R27 PolarHBondContact O-N 3.01Å; A24-R27 WeakPolarHBondContact O-CB 3.47Å; A24-R27 PolarHBondContact O-N 3.38Å; R27-L30 PolarHBondContact O-N 2.84Å; R27-A31 WeakPolarHBondContact O-CB 3.12Å; R27-A31 PolarHBondContact O-N 2.94Å |
| 28 | E | 91.3 | Very high | 90.4 | Very high | 61 Ų | 61 | 71.6 Ų | 71.6 | 29% | 0.285 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62 | -47.4 | 174 | 178.1 | 66.9 | -168.1 | 0 | 0 | 111.6 | A24 R25 K26 L30 A31 R32 L127 W135 | A24-E28 PolarHBondContact O-N 3.42Å; R25-E28 WeakPolarHBondContact O-CB 3.23Å; R25-E28 PolarHBondContact O-N 3.44Å; K26-E28 VanDerWaalsContact C-N 3.28Å; K26-E28 PolarHBondContact O-N 3.47Å; E28-L30 VanDerWaalsContact C-N 3.32Å; E28-L30 PolarHBondContact O-N 3.35Å; E28-A31 WeakPolarHBondContact O-CB 3.44Å; E28-A31 PolarHBondContact O-N 3.37Å; E28-R32 WeakPolarHBondContact O-CG 3.24Å; E28-R32 PolarHBondContact O-N 3.29Å; E28-R32 IonicContact OE1-CZ 3.17Å; E28-R32 VanDerWaalsContact OE1-CZ 3.3Å; E28-R32 IonicContact OE1-NE 3.9Å; E28-R32 PolarHBondContact OE1-NE 3.11Å; E28-R32 IonicContact OE1-NH2 3.15Å; E28-R32 PolarHBondContact OE1-NH2 3.37Å; E28-L127 HydrophobicContact CG-CD1 4.17Å; E28-W135 HydrophobicContact CB-CZ2 4.3Å |
| 29 | A | 91.7 | Very high | 90.5 | Very high | 6 Ų | 6 | 69.8 Ų | 69.8 | 5% | 0.05 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.8 | -42.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R25 K26 R32 L33 I125 L127 | R25-A29 PolarHBondContact O-N 3.25Å; K26-A29 PolarHBondContact O-N 3.25Å; A29-R32 PolarHBondContact O-N 3.26Å; A29-L33 PolarHBondContact O-N 2.97Å; A29-I125 HydrophobicContact CB-CG2 3.91Å; A29-L127 HydrophobicContact CB-CD2 4Å; A29-L127 HydrophobicContact CB-CG 4.15Å |
| 30 | L | 91.4 | Very high | 90.3 | Very high | 69 Ų | 69 | 74 Ų | 74 | 36% | 0.361 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 175.7 | -73.7 | 168.5 | 0 | 0 | 0 | 112.1 | K26 R27 E28 L33 K34 I125 | K26-L30 WeakPolarHBondContact O-CB 3.33Å; K26-L30 VanDerWaalsContact O-CG 3.32Å; K26-L30 WeakPolarHBondContact O-CG 3.4Å; K26-L30 PolarHBondContact O-N 2.89Å; R27-L30 PolarHBondContact O-N 2.84Å; E28-L30 VanDerWaalsContact C-N 3.32Å; E28-L30 PolarHBondContact O-N 3.35Å; L30-L33 PolarHBondContact O-N 3.01Å; L30-K34 WeakPolarHBondContact O-CB 3.32Å; L30-K34 PolarHBondContact O-N 2.87Å; L30-I125 HydrophobicContact CD2-CB 3.99Å; L30-I125 HydrophobicContact CD2-CD1 3.6Å; L30-I125 HydrophobicContact CD2-CG1 4.39Å; L30-I125 HydrophobicContact CD2-CG2 3.73Å; L30-I125 HydrophobicContact CG-CG2 3.98Å |
| 31 | A | 90.9 | Very high | 90 | Very high | 51 Ų | 51 | 76.3 Ų | 76.3 | 42% | 0.421 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | R27 E28 L33 K34 E35 | R27-A31 WeakPolarHBondContact O-CB 3.12Å; R27-A31 PolarHBondContact O-N 2.94Å; E28-A31 WeakPolarHBondContact O-CB 3.44Å; E28-A31 PolarHBondContact O-N 3.37Å; A31-L33 VanDerWaalsContact C-N 3.34Å; A31-L33 PolarHBondContact O-N 3.24Å; A31-K34 PolarHBondContact O-N 3.19Å; A31-E35 PolarHBondContact O-N 2.74Å |
| 32 | R | 91.1 | Very high | 89.3 | Confident | 71 Ų | 71 | 83.3 Ų | 83.3 | 27% | 0.268 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.1 | -39.2 | 176 | -67.8 | -179.6 | -172.1 | -158.4 | -3.8 | 112.7 | E28 A29 R36 E131 | E28-R32 WeakPolarHBondContact O-CG 3.24Å; E28-R32 PolarHBondContact O-N 3.29Å; E28-R32 IonicContact OE1-CZ 3.17Å; E28-R32 VanDerWaalsContact OE1-CZ 3.3Å; E28-R32 IonicContact OE1-NE 3.9Å; E28-R32 PolarHBondContact OE1-NE 3.11Å; E28-R32 IonicContact OE1-NH2 3.15Å; E28-R32 PolarHBondContact OE1-NH2 3.37Å; A29-R32 PolarHBondContact O-N 3.26Å; R32-R36 VanDerWaalsContact O-CG 3.31Å; R32-R36 WeakPolarHBondContact O-CG 3.43Å; R32-R36 PolarHBondContact O-N 2.81Å; R32-E131 IonicContact CZ-OE1 2.7Å; R32-E131 IonicContact NH1-OE1 2.88Å; R32-E131 PolarHBondContact NH1-OE1 2.96Å |
| 33 | L | 88.3 | Confident | 88.3 | Confident | 63 Ų | 63 | 87.5 Ų | 87.5 | 33% | 0.33 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -68.9 | -43 | 175.7 | -74.2 | -169.8 | 0 | 0 | 0 | 112.5 | A29 L30 A31 E35 R36 L37 I125 | A29-L33 PolarHBondContact O-N 2.97Å; L30-L33 PolarHBondContact O-N 3.01Å; A31-L33 VanDerWaalsContact C-N 3.34Å; A31-L33 PolarHBondContact O-N 3.24Å; L33-E35 VanDerWaalsContact C-N 3.29Å; L33-E35 PolarHBondContact O-N 3.44Å; L33-R36 PolarHBondContact O-N 2.98Å; L33-L37 WeakPolarHBondContact O-CG 3.37Å; L33-L37 PolarHBondContact O-N 3.19Å; L33-L37 VanDerWaalsContact O-N 3.08Å; L33-I125 HydrophobicContact CD1-CB 4.16Å; L33-I125 HydrophobicContact CD1-CD1 3.78Å; L33-I125 HydrophobicContact CD1-CG1 3.68Å; L33-I125 HydrophobicContact CD1-CG2 3.39Å; L33-I125 HydrophobicContact CG-CG2 4.14Å |
| 34 | K | 89.8 | Confident | 86.5 | Confident | 134 Ų | 134 | 89.1 Ų | 89.1 | 58% | 0.583 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -59.8 | -43 | 177.9 | -176.6 | -179.4 | 178.2 | -177.5 | 0 | 111.1 | L30 A31 L37 Q38 | L30-K34 WeakPolarHBondContact O-CB 3.32Å; L30-K34 PolarHBondContact O-N 2.87Å; A31-K34 PolarHBondContact O-N 3.19Å; K34-L37 PolarHBondContact O-N 3.26Å; K34-Q38 WeakPolarHBondContact O-CG 3.28Å; K34-Q38 PolarHBondContact O-N 3.4Å |
| 35 | E | 90.5 | Very high | 84.7 | Confident | 112 Ų | 112 | 92.9 Ų | 92.9 | 52% | 0.523 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 176.4 | -171.3 | -173.7 | 171.8 | 0 | 0 | 111.8 | A31 L33 L37 Q38 N39 | A31-E35 PolarHBondContact O-N 2.74Å; L33-E35 VanDerWaalsContact C-N 3.29Å; L33-E35 PolarHBondContact O-N 3.44Å; E35-L37 PolarHBondContact O-N 2.84Å; E35-Q38 PolarHBondContact O-N 3.33Å; E35-N39 VanDerWaalsContact O-CG 3.28Å; E35-N39 PolarHBondContact O-N 2.87Å; E35-N39 PolarHBondContact O-ND2 3.24Å |
| 36 | R | 91 | Very high | 82.5 | Confident | 142 Ų | 142 | 101.2 Ų | 101.2 | 54% | 0.536 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58 | -45.8 | 175.9 | -72.4 | 172.2 | -173.5 | 175.5 | 3.9 | 112.3 | R32 L33 Q38 N39 E40 | R32-R36 VanDerWaalsContact O-CG 3.31Å; R32-R36 WeakPolarHBondContact O-CG 3.43Å; R32-R36 PolarHBondContact O-N 2.81Å; L33-R36 PolarHBondContact O-N 2.98Å; R36-Q38 VanDerWaalsContact C-N 3.33Å; R36-Q38 PolarHBondContact O-N 2.89Å; R36-N39 PolarHBondContact O-N 2.79Å; R36-E40 WeakPolarHBondContact O-CG 3.43Å; R36-E40 PolarHBondContact O-N 3.32Å |
| 37 | L | 89.4 | Confident | 79.9 | Confident | 114 Ų | 114 | 107.3 Ų | 107.3 | 60% | 0.597 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.7 | -37.9 | 178.2 | -67.3 | 174.5 | 0 | 0 | 0 | 112.5 | L33 K34 E35 A41 | L33-L37 WeakPolarHBondContact O-CG 3.37Å; L33-L37 PolarHBondContact O-N 3.19Å; L33-L37 VanDerWaalsContact O-N 3.08Å; K34-L37 PolarHBondContact O-N 3.26Å; E35-L37 PolarHBondContact O-N 2.84Å; L37-A41 PolarHBondContact O-N 2.84Å; L37-A41 VanDerWaalsContact O-N 3.08Å |
| 38 | Q | 88.4 | Confident | 77.4 | Confident | 105 Ų | 105 | 103.6 Ų | 103.6 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 175.7 | -73.3 | -179.4 | -21.5 | 0 | 0 | 111.8 | K34 E35 R36 A41 Q42 | K34-Q38 WeakPolarHBondContact O-CG 3.28Å; K34-Q38 PolarHBondContact O-N 3.4Å; E35-Q38 PolarHBondContact O-N 3.33Å; R36-Q38 VanDerWaalsContact C-N 3.33Å; R36-Q38 PolarHBondContact O-N 2.89Å; Q38-A41 PolarHBondContact O-N 3.28Å; Q38-Q42 WeakPolarHBondContact O-CG 3.47Å; Q38-Q42 PolarHBondContact O-N 3.32Å |
| 39 | N | 91 | Very high | 74.4 | Confident | 68 Ų | 68 | 106.8 Ų | 106.8 | 36% | 0.364 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.8 | -39.7 | 176.8 | -68.5 | -18.1 | 0 | 0 | 0 | 111.9 | E35 R36 Q42 Q43 | E35-N39 VanDerWaalsContact O-CG 3.28Å; E35-N39 PolarHBondContact O-N 2.87Å; E35-N39 PolarHBondContact O-ND2 3.24Å; R36-N39 PolarHBondContact O-N 2.79Å; N39-Q42 PolarHBondContact O-N 3.09Å; N39-Q43 WeakPolarHBondContact O-CB 3.46Å; N39-Q43 WeakPolarHBondContact O-CG 3.32Å; N39-Q43 PolarHBondContact O-N 2.84Å |
| 40 | E | 86.7 | Confident | 71.7 | Confident | 122 Ų | 122 | 111.1 Ų | 111.1 | 57% | 0.57 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.4 | -40.8 | 173.9 | -74.9 | 173.7 | 179.1 | 0 | 0 | 112.1 | R36 Q42 Q43 S44 | R36-E40 WeakPolarHBondContact O-CG 3.43Å; R36-E40 PolarHBondContact O-N 3.32Å; E40-Q42 VanDerWaalsContact C-N 3.25Å; E40-Q42 PolarHBondContact O-N 3.38Å; E40-Q43 PolarHBondContact O-N 2.85Å; E40-S44 PolarHBondContact O-N 3.27Å; E40-S44 VanDerWaalsContact O-N 3.08Å |
| 41 | A | 84.8 | Confident | 68.8 | Low | 79 Ų | 79 | 113.6 Ų | 113.6 | 65% | 0.653 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.8 | -30.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | L37 Q38 | L37-A41 PolarHBondContact O-N 2.84Å; L37-A41 VanDerWaalsContact O-N 3.08Å; Q38-A41 PolarHBondContact O-N 3.28Å |
| 42 | Q | 75 | Confident | 66.1 | Low | 159 Ų | 159 | 116.2 Ų | 116.2 | 74% | 0.743 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -84.9 | -28.8 | 175.5 | -67.5 | -179.1 | -3.6 | 0 | 0 | 113.1 | Q38 N39 E40 | Q38-Q42 WeakPolarHBondContact O-CG 3.47Å; Q38-Q42 PolarHBondContact O-N 3.32Å; N39-Q42 PolarHBondContact O-N 3.09Å; E40-Q42 VanDerWaalsContact C-N 3.25Å; E40-Q42 PolarHBondContact O-N 3.38Å |
| 43 | Q | 68.5 | Low | 63.3 | Low | 151 Ų | 151 | 118.2 Ų | 118.2 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -83.6 | -11.3 | 179.6 | -78.5 | -176.7 | 14.3 | 0 | 0 | 114 | N39 E40 P45 | N39-Q43 WeakPolarHBondContact O-CB 3.46Å; N39-Q43 WeakPolarHBondContact O-CG 3.32Å; N39-Q43 PolarHBondContact O-N 2.84Å; E40-Q43 PolarHBondContact O-N 2.85Å; Q43-P45 WeakPolarHBondContact O-CD 3.29Å; Q43-P45 VanDerWaalsContact O-CG 3.3Å; Q43-P45 WeakPolarHBondContact O-CG 3.15Å |
| 44 | S | 51.1 | Low | 60.8 | Low | 92 Ų | 92 | 121.1 Ų | 121.1 | 64% | 0.643 | 67% | 0.672 | S | S | * | * | trans | -59.7 | 101.7 | 167.3 | -173.1 | 0 | 0 | 0 | 0 | 108.2 | E40 K46 | E40-S44 PolarHBondContact O-N 3.27Å; E40-S44 VanDerWaalsContact O-N 3.08Å; S44-K46 PolarHBondContact O-N 3.07Å | ||
| 45 | P | 53 | Low | 58.1 | Low | 92 Ų | 92 | 121.4 Ų | 121.4 | 60% | 0.597 | 69% | 0.685 | S | S | * | * | trans | -70.1 | 138.3 | 179.8 | -8.5 | 28.7 | 0 | 0 | 0 | 105.2 | Q43 E47 | Q43-P45 WeakPolarHBondContact O-CD 3.29Å; Q43-P45 VanDerWaalsContact O-CG 3.3Å; Q43-P45 WeakPolarHBondContact O-CG 3.15Å; P45-E47 PolarHBondContact O-N 3.29Å | ||
| 46 | K | 46.3 | Very low | 55.2 | Low | 208 Ų | 208 | 120.2 Ų | 120.2 | 90% | 0.904 | 69% | 0.694 | S | S | * | * | trans | -56.2 | 89.8 | 153.5 | -73.6 | 175.9 | 178.9 | 174.9 | 0 | 106.3 | S44 P48 | S44-K46 PolarHBondContact O-N 3.07Å; K46-P48 WeakPolarHBondContact O-CD 3.48Å | ||
| 47 | E | 36 | Very low | 52.3 | Low | 168 Ų | 168 | 119.6 Ų | 119.6 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | trans | -62.7 | 114.9 | 158.9 | -71.6 | -162.9 | 166.1 | 0 | 0 | 105.1 | P45 C49 | P45-E47 PolarHBondContact O-N 3.29Å; E47-C49 PolarHBondContact O-N 2.97Å | ||
| 48 | P | 40.5 | Very low | 49.5 | Very low | 109 Ų | 109 | 122.1 Ų | 122.1 | 71% | 0.708 | 72% | 0.722 | S | S | * | * | trans | -58.8 | 113 | 171.7 | 22.7 | -29.4 | 0 | 0 | 0 | 107.1 | K46 S50 | K46-P48 WeakPolarHBondContact O-CD 3.48Å; P48-S50 PolarHBondContact O-N 3.3Å; P48-S50 PolarHBondContact O-OG 3.13Å | ||
| 49 | C | 26.7 | Very low | 46.5 | Very low | 128 Ų | 128 | 122.4 Ų | 122.4 | 87% | 0.865 | 73% | 0.727 | S | S | * | * | trans | -67.1 | 84.2 | 173.6 | -138.9 | 0 | 0 | 0 | 0 | 107.5 | E47 | E47-C49 PolarHBondContact O-N 2.97Š| ||
| 50 | S | 34.6 | Very low | 43.7 | Very low | 97 Ų | 97 | 126.4 Ų | 126.4 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | trans | -136 | 67.3 | 177.8 | 52.9 | 0 | 0 | 0 | 0 | 109.9 | P48 | P48-S50 PolarHBondContact O-N 3.3Å; P48-S50 PolarHBondContact O-OG 3.13Å | ||
| 51 | S | 31.1 | Very low | 40.7 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | trans | -174.7 | 65.7 | 144.8 | 61.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 52 | S | 35.2 | Very low | 38 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | -124.7 | 101.9 | 150.2 | 47.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 53 | S | 32.4 | Very low | 36.1 | Very low | 113 Ų | 113 | 130 Ų | 130 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | -54.2 | 146.4 | 175.4 | -67.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 54 | P | 35.4 | Very low | 33.9 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | -80 | 132.5 | -166 | 32 | -33.1 | 0 | 0 | 0 | 111 | ||||
| 55 | V | 32 | Very low | 32.7 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | -123 | 97.4 | 161.1 | -174 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 56 | A | 30.6 | Very low | 31.5 | Very low | 86 Ų | 86 | 135.6 Ų | 135.6 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | 56.3 | 129.1 | 149.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 57 | P | 30.6 | Very low | 30.5 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -85.9 | 132.3 | -179.9 | 28.5 | -18.6 | 0 | 0 | 0 | 111.4 | ||||
| 58 | L | 28.8 | Very low | 30.5 | Very low | 167 Ų | 167 | 130.8 Ų | 130.8 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -108.3 | 104.7 | 158.7 | -153 | 72.2 | 0 | 0 | 0 | 109.6 | ||||
| 59 | N | 26.3 | Very low | 29.8 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 59% | 0.594 | 78% | 0.782 | S | S | * | * | trans | -67.1 | 114.2 | 175.5 | -168.5 | 23.9 | 0 | 0 | 0 | 110 | N61 | N59-N61 PolarHBondContact ND2-ND2 3.27Å; N59-N61 VanDerWaalsContact OD1-CG 3.22Å; N59-N61 PolarHBondContact OD1-ND2 2.99Å; N59-N61 PolarHBondContact OD1-OD1 3.42Å; N59-N61 VanDerWaalsContact OD1-OD1 3.08Å | ||
| 60 | N | 32.6 | Very low | 29.9 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -115.5 | 84.8 | 158.9 | -75 | -1.4 | 0 | 0 | 0 | 107.3 | ||||
| 61 | N | 24.3 | Very low | 29.3 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | trans | -70.9 | 155.2 | 165.4 | -78.2 | -24.4 | 0 | 0 | 0 | 110.4 | N59 | N59-N61 PolarHBondContact ND2-ND2 3.27Å; N59-N61 VanDerWaalsContact OD1-CG 3.22Å; N59-N61 PolarHBondContact OD1-ND2 2.99Å; N59-N61 PolarHBondContact OD1-OD1 3.42Å; N59-N61 VanDerWaalsContact OD1-OD1 3.08Å | ||
| 62 | T | 27.7 | Very low | 29.1 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | trans | 95.1 | 100.9 | 151.5 | -28.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 63 | E | 34.3 | Very low | 28.6 | Very low | 194 Ų | 194 | 139 Ų | 139 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | -158.9 | 107.3 | 110.6 | -99.2 | 167 | -178.5 | 0 | 0 | 108.6 | |||||
| 64 | E | 22.5 | Very low | 28.2 | Very low | 189 Ų | 189 | 139.4 Ų | 139.4 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -69.7 | 140 | 165.5 | -65 | -158.5 | 154.1 | 0 | 0 | 110.3 | ||||
| 65 | A | 26.7 | Very low | 27.8 | Very low | 97 Ų | 97 | 142.9 Ų | 142.9 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | -177.1 | 137.3 | 128.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 66 | D | 27.5 | Very low | 27.8 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | 86.2 | 93.4 | 152.2 | -106 | 23.4 | 0 | 0 | 0 | 121.2 | ||||
| 67 | E | 25 | Very low | 27.6 | Very low | 160 Ų | 160 | 143 Ų | 143 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -61.7 | 164.2 | 134.6 | -88.2 | -76.7 | 140.1 | 0 | 0 | 110.7 | ||||
| 68 | P | 36.4 | Very low | 27.6 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | cis | -140.6 | 160 | 21.5 | 34.4 | -12.1 | 0 | 0 | 0 | 118.7 | ||||
| 69 | G | 24.7 | Very low | 27.7 | Very low | 64 Ų | 64 | 142.2 Ų | 142.2 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | trans | 62.2 | 105.1 | 134 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 70 | R | 29.1 | Very low | 27.7 | Very low | 257 Ų | 257 | 144.2 Ų | 144.2 | 97% | 0.97 | 78% | 0.782 | S | S | * | * | trans | -154.3 | 138 | 135 | -124.6 | -176.4 | -165.9 | 118.1 | 0.8 | 113 | ||||
| 71 | E | 23.3 | Very low | 27.6 | Very low | 183 Ų | 183 | 144.1 Ų | 144.1 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | -71.6 | 145.2 | -165.5 | -62.7 | 163.3 | 161 | 0 | 0 | 114.2 | ||||
| 72 | L | 25.9 | Very low | 28 | Very low | 157 Ų | 157 | 145.3 Ų | 145.3 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | 25 | 102.7 | 134.8 | -167.3 | 68.5 | 0 | 0 | 0 | 116.9 | ||||
| 73 | S | 25.3 | Very low | 28.2 | Very low | 72 Ų | 72 | 147.2 Ų | 147.2 | 50% | 0.503 | 78% | 0.781 | S | S | . | * | trans | -138 | 100.3 | 144.8 | -167.9 | 0 | 0 | 0 | 0 | 110.3 | Y75 | S73-Y75 VanDerWaalsContact CB-CE2 3.4Å; S73-Y75 PolarHBondContact O-N 3.23Å; S73-Y75 VanDerWaalsContact O-N 3.13Å; S73-Y75 VanDerWaalsContact OG-CD2 3.3Å; S73-Y75 WeakPolarHBondContact OG-CD2 3.43Å; S73-Y75 WeakPolarHBondContact OG-CE2 3.31Å | ||
| 74 | T | 23 | Very low | 28.1 | Very low | 123 Ų | 123 | 146.6 Ų | 146.6 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -50.9 | 107.6 | 155.5 | -57.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 75 | Y | 28.3 | Very low | 28.8 | Very low | 195 Ų | 195 | 143.4 Ų | 143.4 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | trans | -110.1 | 130.7 | 166 | -78.3 | -72.6 | 0 | 0 | 0 | 109.5 | S73 | S73-Y75 VanDerWaalsContact CB-CE2 3.4Å; S73-Y75 PolarHBondContact O-N 3.23Å; S73-Y75 VanDerWaalsContact O-N 3.13Å; S73-Y75 VanDerWaalsContact OG-CD2 3.3Å; S73-Y75 WeakPolarHBondContact OG-CD2 3.43Å; S73-Y75 WeakPolarHBondContact OG-CE2 3.31Å | ||
| 76 | P | 31.7 | Very low | 29.4 | Very low | 107 Ų | 107 | 144.1 Ų | 144.1 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | trans | -75.2 | 133 | -169.8 | 30.6 | -32.6 | 0 | 0 | 0 | 110.3 | S78 | P76-S78 VanDerWaalsContact C-N 3.32Å; P76-S78 PolarHBondContact O-N 3.3Å | ||
| 77 | S | 26.8 | Very low | 29.7 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | trans | -62 | 92.3 | 162.8 | 48.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 78 | S | 28.8 | Very low | 30.4 | Very low | 105 Ų | 105 | 144.6 Ų | 144.6 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | -143.4 | 85.8 | 162.8 | -84 | 0 | 0 | 0 | 0 | 109 | P76 | P76-S78 VanDerWaalsContact C-N 3.32Å; P76-S78 PolarHBondContact O-N 3.3Å | ||
| 79 | E | 31 | Very low | 30.5 | Very low | 174 Ų | 174 | 144 Ų | 144 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | trans | -126.4 | 64.1 | 157.8 | -66.7 | -171 | -167.2 | 0 | 0 | 108.1 | L81 | E79-L81 PolarHBondContact O-N 2.8Š| ||
| 80 | N | 26.8 | Very low | 30.8 | Very low | 152 Ų | 152 | 145.5 Ų | 145.5 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | trans | -71.4 | 73 | 145 | -90.3 | -15.1 | 0 | 0 | 0 | 106.4 | E82 | N80-E82 PolarHBondContact O-N 2.91Š| ||
| 81 | L | 31.1 | Very low | 31.3 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -74.9 | 81.8 | 158.3 | -78.3 | 176.2 | 0 | 0 | 0 | 106.1 | E79 F83 | E79-L81 PolarHBondContact O-N 2.8Å; L81-F83 PolarHBondContact O-N 3.17Å; L81-F83 VanDerWaalsContact O-N 3.12Å | ||
| 82 | E | 31.7 | Very low | 32.2 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | trans | -52.8 | 119.7 | 163.4 | -70.1 | -164 | 161.4 | 0 | 0 | 107.6 | N80 F84 | N80-E82 PolarHBondContact O-N 2.91Å; E82-F84 VanDerWaalsContact O-CD2 3.32Å; E82-F84 WeakPolarHBondContact O-CD2 3.19Å; E82-F84 PolarHBondContact O-N 2.88Å | ||
| 83 | F | 31.4 | Very low | 33.1 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | trans | -54.5 | 84.3 | 174.9 | 179.8 | -98.3 | 0 | 0 | 0 | 109.5 | L81 N85 | L81-F83 PolarHBondContact O-N 3.17Å; L81-F83 VanDerWaalsContact O-N 3.12Å; F83-N85 PolarHBondContact O-N 2.81Å | ||
| 84 | F | 33.7 | Very low | 33.8 | Very low | 181 Ų | 181 | 140.2 Ų | 140.2 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | trans | -69.3 | 124.7 | 162.2 | -78.4 | -81.8 | 0 | 0 | 0 | 107.5 | E82 L86 | E82-F84 VanDerWaalsContact O-CD2 3.32Å; E82-F84 WeakPolarHBondContact O-CD2 3.19Å; E82-F84 PolarHBondContact O-N 2.88Å; F84-L86 PolarHBondContact O-N 2.86Å | ||
| 85 | N | 35.8 | Very low | 34.6 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 65% | 0.647 | 74% | 0.739 | S | S | * | * | trans | -39.7 | 121.9 | -179.4 | -79.2 | -50.2 | 0 | 0 | 0 | 112.2 | F83 D87 Y88 | F83-N85 PolarHBondContact O-N 2.81Å; N85-D87 PolarHBondContact O-N 3.01Å; N85-Y88 PolarHBondContact O-N 2.85Å | ||
| 86 | L | 39.4 | Very low | 35.1 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 59% | 0.586 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 12.1 | 176.7 | -165.5 | 66.9 | 0 | 0 | 0 | 113.2 | F84 Y88 V89 | F84-L86 PolarHBondContact O-N 2.86Å; L86-Y88 VanDerWaalsContact C-N 3.31Å; L86-V89 HydrophobicContact CD1-CG1 3.9Å |
| 87 | D | 35.1 | Very low | 35.6 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 6.2 | 175 | -70.7 | -16 | 0 | 0 | 0 | 112.8 | N85 | N85-D87 PolarHBondContact O-N 3.01Š|
| 88 | Y | 39.1 | Very low | 36.4 | Very low | 177 Ų | 177 | 146 Ų | 146 | 69% | 0.694 | 74% | 0.741 | S | S | * | * | trans | -133.5 | 61.7 | 173.6 | -155.6 | -94.2 | 0 | 0 | 0 | 111.9 | N85 L86 D90 | N85-Y88 PolarHBondContact O-N 2.85Å; L86-Y88 VanDerWaalsContact C-N 3.31Å; Y88-D90 HydrophobicContact CE1-CB 4.47Å; Y88-D90 WeakPolarHBondContact CE1-OD2 3.37Å; Y88-D90 PolarHBondContact OH-OD2 3.13Å | ||
| 89 | V | 38.8 | Very low | 37.6 | Very low | 101 Ų | 101 | 145.5 Ų | 145.5 | 61% | 0.612 | 73% | 0.728 | S | S | * | * | trans | -92.9 | 87.7 | 162.6 | -69.2 | 0 | 0 | 0 | 0 | 108.8 | L86 T91 | L86-V89 HydrophobicContact CD1-CG1 3.9Å; V89-T91 PolarHBondContact O-N 3.3Å; V89-T91 VanDerWaalsContact O-N 3.15Å | ||
| 90 | D | 31.4 | Very low | 38.7 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 51% | 0.513 | 72% | 0.718 | S | S | . | * | trans | -58.1 | 117.8 | 165.4 | -92.4 | -30 | 0 | 0 | 0 | 108.5 | Y88 Y92 | Y88-D90 HydrophobicContact CE1-CB 4.47Å; Y88-D90 WeakPolarHBondContact CE1-OD2 3.37Å; Y88-D90 PolarHBondContact OH-OD2 3.13Å; D90-Y92 PolarHBondContact O-N 2.74Å | ||
| 91 | T | 38.6 | Very low | 40 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 76% | 0.761 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 55.5 | -178 | 47 | 0 | 0 | 0 | 0 | 111.8 | V89 | V89-T91 PolarHBondContact O-N 3.3Å; V89-T91 VanDerWaalsContact O-N 3.15Å |
| 92 | Y | 42.5 | Very low | 40.9 | Very low | 212 Ų | 212 | 143.4 Ų | 143.4 | 83% | 0.831 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.6 | -0.9 | 175.6 | -81.8 | -77.1 | 0 | 0 | 0 | 115.8 | D90 | D90-Y92 PolarHBondContact O-N 2.74Š|
| 93 | T | 43.9 | Very low | 42.1 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | trans | -118.6 | 46.3 | 174.8 | 55.7 | 0 | 0 | 0 | 0 | 112.2 | N95 | T93-N95 PolarHBondContact O-N 3.37Š| ||
| 94 | A | 40.7 | Very low | 43.1 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 84% | 0.835 | 69% | 0.687 | S | S | * | * | trans | -73.7 | 68.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | R96 | A94-R96 PolarHBondContact O-N 2.99Š| ||
| 95 | N | 39.6 | Very low | 44.1 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 78% | 0.781 | 68% | 0.678 | S | S | * | * | trans | -62.6 | 112.4 | 168.8 | -93.5 | -21.4 | 0 | 0 | 0 | 108.2 | T93 V97 | T93-N95 PolarHBondContact O-N 3.37Å; N95-V97 VanDerWaalsContact C-N 3.27Å; N95-V97 PolarHBondContact O-N 2.95Å | ||
| 96 | R | 38.9 | Very low | 45.1 | Very low | 243 Ų | 243 | 132.1 Ų | 132.1 | 92% | 0.917 | 67% | 0.672 | S | S | * | * | trans | -67 | 76.3 | -174.8 | -174.2 | 176.7 | 169.7 | 148.7 | -3.2 | 110.6 | A94 | A94-R96 PolarHBondContact O-N 2.99Š| ||
| 97 | V | 41.4 | Very low | 45.6 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 60% | 0.6 | 67% | 0.667 | S | S | * | * | trans | -76.5 | 127.4 | 166.5 | -172.6 | 0 | 0 | 0 | 0 | 107.8 | N95 M99 | N95-V97 VanDerWaalsContact C-N 3.27Å; N95-V97 PolarHBondContact O-N 2.95Å; V97-M99 VanDerWaalsContact C-N 3.29Å; V97-M99 HydrophobicContact CB-CE 4.04Å; V97-M99 HydrophobicContact CG1-CE 3.49Å; V97-M99 VanDerWaalsContact CG1-CE 3.49Å; V97-M99 PolarHBondContact O-N 3.21Å | ||
| 98 | H | 45.7 | Very low | 46.4 | Very low | 182 Ų | 182 | 126.3 Ų | 126.3 | 84% | 0.843 | 65% | 0.649 | S | S | * | * | trans | -65.8 | 83.8 | -178.4 | -141.6 | -88.5 | 0 | 0 | 0 | 110 | T100 | H98-T100 PolarHBondContact O-N 3.31Š| ||
| 99 | M | 52.6 | Low | 46.8 | Very low | 94 Ų | 94 | 119.4 Ų | 119.4 | 46% | 0.463 | 63% | 0.625 | S | S | . | * | trans | -80.2 | 121.3 | 179.3 | -74.2 | -69.3 | 139.4 | 0 | 0 | 110 | V97 S103 L104 | V97-M99 VanDerWaalsContact C-N 3.29Å; V97-M99 HydrophobicContact CB-CE 4.04Å; V97-M99 HydrophobicContact CG1-CE 3.49Å; V97-M99 VanDerWaalsContact CG1-CE 3.49Å; V97-M99 PolarHBondContact O-N 3.21Å; M99-S103 PolarHBondContact SD-OG 3.11Å; M99-L104 HydrophobicContact CB-CD2 3.71Å; M99-L104 HydrophobicContact CB-CG 4.08Å | ||
| 100 | T | 55.3 | Low | 47.5 | Very low | 98 Ų | 98 | 119.6 Ų | 119.6 | 60% | 0.601 | 62% | 0.623 | S | S | * | * | trans | -65.5 | 154.1 | 172 | 42.7 | 0 | 0 | 0 | 0 | 110.8 | H98 R102 S103 L104 | H98-T100 PolarHBondContact O-N 3.31Å; T100-R102 PolarHBondContact O-N 3.19Å; T100-R102 VanDerWaalsContact O-N 3.13Å; T100-S103 WeakPolarHBondContact O-CA 3.46Å; T100-S103 VanDerWaalsContact O-CB 3.28Å; T100-S103 WeakPolarHBondContact O-CB 2.95Å; T100-S103 PolarHBondContact O-N 3.06Å; T100-L104 PolarHBondContact O-N 3.07Å; T100-L104 VanDerWaalsContact O-N 3.12Å | ||
| 101 | T | 52.8 | Low | 48.5 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 76% | 0.755 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -58.7 | -29.6 | -172.7 | 53.4 | 0 | 0 | 0 | 0 | 113.8 | F105 | T101-F105 PolarHBondContact O-N 3.46Å |
| 102 | R | 51.4 | Low | 49 | Very low | 213 Ų | 213 | 119.3 Ų | 119.3 | 80% | 0.804 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.9 | -36.8 | 170.7 | -101 | -176.7 | 151.5 | 105 | -1.7 | 113.2 | T100 N106 | T100-R102 PolarHBondContact O-N 3.19Å; T100-R102 VanDerWaalsContact O-N 3.13Å; R102-N106 PolarHBondContact O-N 3.15Å; R102-N106 VanDerWaalsContact O-N 3.11Å |
| 103 | S | 56.4 | Low | 49.4 | Very low | 43 Ų | 43 | 115 Ų | 115 | 30% | 0.301 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71.2 | -39.6 | 178.1 | -168.9 | 0 | 0 | 0 | 0 | 111.7 | M99 T100 F105 N106 C107 | M99-S103 PolarHBondContact SD-OG 3.11Å; T100-S103 WeakPolarHBondContact O-CA 3.46Å; T100-S103 VanDerWaalsContact O-CB 3.28Å; T100-S103 WeakPolarHBondContact O-CB 2.95Å; T100-S103 PolarHBondContact O-N 3.06Å; S103-F105 VanDerWaalsContact C-N 3.34Å; S103-F105 PolarHBondContact O-N 2.84Å; S103-N106 PolarHBondContact O-N 3.39Å; S103-C107 WeakPolarHBondContact O-CB 3.05Å; S103-C107 PolarHBondContact O-N 3.33Å |
| 104 | L | 52.4 | Low | 50.1 | Low | 94 Ų | 94 | 110.2 Ų | 110.2 | 49% | 0.492 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.9 | -40.3 | 174.2 | -65 | 180 | 0 | 0 | 0 | 112 | M99 T100 C107 V108 | M99-L104 HydrophobicContact CB-CD2 3.71Å; M99-L104 HydrophobicContact CB-CG 4.08Å; T100-L104 PolarHBondContact O-N 3.07Å; T100-L104 VanDerWaalsContact O-N 3.12Å; L104-C107 PolarHBondContact O-N 3.26Å; L104-V108 VanDerWaalsContact O-CB 3.23Å; L104-V108 WeakPolarHBondContact O-CB 3.36Å; L104-V108 WeakPolarHBondContact O-CG2 3.32Å; L104-V108 PolarHBondContact O-N 3.43Å |
| 105 | F | 54.9 | Low | 50.9 | Low | 139 Ų | 139 | 110.5 Ų | 110.5 | 61% | 0.61 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.1 | -47.4 | 177.3 | -166.6 | -101.2 | 0 | 0 | 0 | 111.3 | T101 S103 C107 V108 T109 | T101-F105 PolarHBondContact O-N 3.46Å; S103-F105 VanDerWaalsContact C-N 3.34Å; S103-F105 PolarHBondContact O-N 2.84Å; F105-C107 VanDerWaalsContact C-N 3.35Å; F105-C107 PolarHBondContact O-N 2.95Å; F105-V108 PolarHBondContact O-N 3.32Å; F105-T109 HydrophobicContact CD1-CG2 3.87Å; F105-T109 HydrophobicContact CD2-CG2 4.22Å; F105-T109 HydrophobicContact CE1-CG2 3.59Å; F105-T109 HydrophobicContact CE2-CG2 3.96Å; F105-T109 HydrophobicContact CG-CG2 4.19Å; F105-T109 HydrophobicContact CZ-CG2 3.64Å; F105-T109 WeakPolarHBondContact O-CB 3.49Å; F105-T109 VanDerWaalsContact O-CG2 3.31Å; F105-T109 WeakPolarHBondContact O-CG2 3.44Å; F105-T109 PolarHBondContact O-N 2.86Å; F105-T109 PolarHBondContact O-OG1 2.81Å |
| 106 | N | 55.9 | Low | 51.7 | Low | 96 Ų | 96 | 106.7 Ų | 106.7 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64 | -38.6 | 176 | -78.3 | -2.2 | 0 | 0 | 0 | 112.4 | R102 S103 N110 | R102-N106 PolarHBondContact O-N 3.15Å; R102-N106 VanDerWaalsContact O-N 3.11Å; S103-N106 PolarHBondContact O-N 3.39Å; N106-N110 WeakPolarHBondContact O-CB 3.35Å; N106-N110 PolarHBondContact O-N 3.48Å; N106-N110 PolarHBondContact O-ND2 2.82Å |
| 107 | C | 50.1 | Low | 52.8 | Low | 70 Ų | 70 | 98.9 Ų | 98.9 | 47% | 0.473 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.5 | -47.5 | 175.7 | -172 | 0 | 0 | 0 | 0 | 110.7 | S103 L104 F105 Q111 | S103-C107 WeakPolarHBondContact O-CB 3.05Å; S103-C107 PolarHBondContact O-N 3.33Å; L104-C107 PolarHBondContact O-N 3.26Å; F105-C107 VanDerWaalsContact C-N 3.35Å; F105-C107 PolarHBondContact O-N 2.95Å; C107-Q111 WeakPolarHBondContact O-CB 3.44Å; C107-Q111 PolarHBondContact O-N 2.7Å |
| 108 | V | 51.8 | Low | 53.6 | Low | 79 Ų | 79 | 99.7 Ų | 99.7 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.7 | -43.1 | 179.3 | 158.3 | 0 | 0 | 0 | 0 | 112.8 | L104 F105 Q111 T112 | L104-V108 VanDerWaalsContact O-CB 3.23Å; L104-V108 WeakPolarHBondContact O-CB 3.36Å; L104-V108 WeakPolarHBondContact O-CG2 3.32Å; L104-V108 PolarHBondContact O-N 3.43Å; F105-V108 PolarHBondContact O-N 3.32Å; V108-Q111 PolarHBondContact O-N 3.09Å; V108-T112 WeakPolarHBondContact O-CB 3.41Å; V108-T112 WeakPolarHBondContact O-CG2 3.46Å; V108-T112 PolarHBondContact O-N 2.92Å; V108-T112 PolarHBondContact O-OG1 3.37Å |
| 109 | T | 47.7 | Very low | 54.2 | Low | 32 Ų | 32 | 96.4 Ų | 96.4 | 20% | 0.196 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -71.9 | -38.2 | 179.5 | 59.5 | 0 | 0 | 0 | 0 | 111.2 | F105 Q111 Q113 | F105-T109 HydrophobicContact CD1-CG2 3.87Å; F105-T109 HydrophobicContact CD2-CG2 4.22Å; F105-T109 HydrophobicContact CE1-CG2 3.59Å; F105-T109 HydrophobicContact CE2-CG2 3.96Å; F105-T109 HydrophobicContact CG-CG2 4.19Å; F105-T109 HydrophobicContact CZ-CG2 3.64Å; F105-T109 WeakPolarHBondContact O-CB 3.49Å; F105-T109 VanDerWaalsContact O-CG2 3.31Å; F105-T109 WeakPolarHBondContact O-CG2 3.44Å; F105-T109 PolarHBondContact O-N 2.86Å; F105-T109 PolarHBondContact O-OG1 2.81Å; T109-Q111 VanDerWaalsContact C-N 3.33Å; T109-Q113 WeakPolarHBondContact O-CB 3.07Å; T109-Q113 WeakPolarHBondContact O-CG 3.42Å; T109-Q113 PolarHBondContact O-N 2.81Å |
| 110 | N | 53 | Low | 54.5 | Low | 106 Ų | 106 | 94.1 Ų | 94.1 | 57% | 0.567 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.2 | -28.2 | 173.7 | -63.7 | -19.8 | 0 | 0 | 0 | 112 | N106 S114 | N106-N110 WeakPolarHBondContact O-CB 3.35Å; N106-N110 PolarHBondContact O-N 3.48Å; N106-N110 PolarHBondContact O-ND2 2.82Å; N110-S114 WeakPolarHBondContact O-CB 3.36Å; N110-S114 PolarHBondContact O-N 2.86Å |
| 111 | Q | 52.1 | Low | 54.7 | Low | 120 Ų | 120 | 95.7 Ų | 95.7 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -85.3 | -35 | -177.2 | -170.1 | 168.9 | 26.8 | 0 | 0 | 113.5 | C107 V108 T109 S114 L115 | C107-Q111 WeakPolarHBondContact O-CB 3.44Å; C107-Q111 PolarHBondContact O-N 2.7Å; V108-Q111 PolarHBondContact O-N 3.09Å; T109-Q111 VanDerWaalsContact C-N 3.33Å; Q111-S114 WeakPolarHBondContact O-CB 3.26Å; Q111-L115 PolarHBondContact O-N 3.21Å |
| 112 | T | 50.4 | Low | 55 | Low | 93 Ų | 93 | 93.8 Ų | 93.8 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -80.8 | -39.5 | 179.5 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | V108 S114 | V108-T112 WeakPolarHBondContact O-CB 3.41Å; V108-T112 WeakPolarHBondContact O-CG2 3.46Å; V108-T112 PolarHBondContact O-N 2.92Å; V108-T112 PolarHBondContact O-OG1 3.37Å; T112-S114 PolarHBondContact O-N 3.43Å |
| 113 | Q | 49.8 | Very low | 55.5 | Low | 122 Ų | 122 | 87.5 Ų | 87.5 | 57% | 0.57 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.4 | -32.4 | 168.4 | -65.9 | 179.2 | -4 | 0 | 0 | 110.5 | T109 L115 D117 | T109-Q113 WeakPolarHBondContact O-CB 3.07Å; T109-Q113 WeakPolarHBondContact O-CG 3.42Å; T109-Q113 PolarHBondContact O-N 2.81Å; Q113-L115 PolarHBondContact O-N 3.28Å; Q113-D117 WeakPolarHBondContact O-CB 3.49Å; Q113-D117 PolarHBondContact O-N 2.7Å |
| 114 | S | 59.1 | Low | 56.4 | Low | 21 Ų | 21 | 88.7 Ų | 88.7 | 15% | 0.147 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -57.5 | -47.8 | 178.4 | 141.1 | 0 | 0 | 0 | 0 | 113.9 | N110 Q111 T112 K118 | N110-S114 WeakPolarHBondContact O-CB 3.36Å; N110-S114 PolarHBondContact O-N 2.86Å; Q111-S114 WeakPolarHBondContact O-CB 3.26Å; T112-S114 PolarHBondContact O-N 3.43Å; S114-K118 WeakPolarHBondContact O-CA 3.32Å; S114-K118 WeakPolarHBondContact O-CB 3.31Å; S114-K118 WeakPolarHBondContact O-CD 3.28Å; S114-K118 WeakPolarHBondContact O-CG 3.36Å; S114-K118 PolarHBondContact O-N 3.4Å; S114-K118 VanDerWaalsContact OG-CD 3.27Å; S114-K118 WeakPolarHBondContact OG-CD 3.49Å; S114-K118 WeakPolarHBondContact OG-CE 3.37Å; S114-K118 PolarHBondContact OG-NZ 2.93Å |
| 115 | L | 56.9 | Low | 57.8 | Low | 108 Ų | 108 | 86.2 Ų | 86.2 | 57% | 0.565 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -72.5 | -45.4 | -171.2 | -71.8 | 178.6 | 0 | 0 | 0 | 112.7 | Q111 Q113 K118 L119 | Q111-L115 PolarHBondContact O-N 3.21Å; Q113-L115 PolarHBondContact O-N 3.28Å; L115-K118 PolarHBondContact O-N 3.06Å; L115-L119 WeakPolarHBondContact O-CB 3.22Å; L115-L119 PolarHBondContact O-N 2.93Å |
| 116 | A | 57.1 | Low | 59.4 | Low | 65 Ų | 65 | 80.7 Ų | 80.7 | 54% | 0.537 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L119 A120 | A116-L119 PolarHBondContact O-N 3.06Å; A116-A120 WeakPolarHBondContact O-CB 3.13Å; A116-A120 PolarHBondContact O-N 2.96Å |
| 117 | D | 61.4 | Low | 60.9 | Low | 79 Ų | 79 | 76.3 Ų | 76.3 | 42% | 0.422 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -71.8 | -35.4 | 176.8 | -68.8 | -18.8 | 0 | 0 | 0 | 112.5 | Q113 A120 K121 | Q113-D117 WeakPolarHBondContact O-CB 3.49Å; Q113-D117 PolarHBondContact O-N 2.7Å; D117-A120 PolarHBondContact O-N 3.12Å; D117-K121 VanDerWaalsContact O-CB 3.24Å; D117-K121 WeakPolarHBondContact O-CB 3.26Å; D117-K121 WeakPolarHBondContact O-CD 3.43Å; D117-K121 WeakPolarHBondContact O-CG 3.18Å; D117-K121 PolarHBondContact O-N 3.43Å |
| 118 | K | 59.4 | Low | 62.8 | Low | 117 Ų | 117 | 78.8 Ų | 78.8 | 51% | 0.509 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.9 | -45.7 | 173.4 | -78.6 | 168.8 | -177.3 | 172.8 | 0 | 109.9 | S114 L115 A120 K121 E122 | S114-K118 WeakPolarHBondContact O-CA 3.32Å; S114-K118 WeakPolarHBondContact O-CB 3.31Å; S114-K118 WeakPolarHBondContact O-CD 3.28Å; S114-K118 WeakPolarHBondContact O-CG 3.36Å; S114-K118 PolarHBondContact O-N 3.4Å; S114-K118 VanDerWaalsContact OG-CD 3.27Å; S114-K118 WeakPolarHBondContact OG-CD 3.49Å; S114-K118 WeakPolarHBondContact OG-CE 3.37Å; S114-K118 PolarHBondContact OG-NZ 2.93Å; L115-K118 PolarHBondContact O-N 3.06Å; K118-A120 VanDerWaalsContact C-N 3.35Å; K118-K121 PolarHBondContact O-N 2.83Å; K118-E122 WeakPolarHBondContact O-CB 2.84Å; K118-E122 PolarHBondContact O-N 3.13Å |
| 119 | L | 57.1 | Low | 64.6 | Low | 112 Ų | 112 | 77.6 Ų | 77.6 | 59% | 0.586 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.9 | -37.6 | 176.3 | -171 | 139.7 | 0 | 0 | 0 | 111.4 | L115 A116 T123 | L115-L119 WeakPolarHBondContact O-CB 3.22Å; L115-L119 PolarHBondContact O-N 2.93Å; A116-L119 PolarHBondContact O-N 3.06Å; L119-T123 HydrophobicContact CD2-CG2 4.31Å; L119-T123 WeakPolarHBondContact O-CB 3.45Å; L119-T123 WeakPolarHBondContact O-CG2 3.42Å; L119-T123 PolarHBondContact O-N 3.49Å; L119-T123 PolarHBondContact O-OG1 3.04Å |
| 120 | A | 59.2 | Low | 66.7 | Low | 47 Ų | 47 | 85 Ų | 85 | 39% | 0.388 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A116 D117 K118 T123 A124 | A116-A120 WeakPolarHBondContact O-CB 3.13Å; A116-A120 PolarHBondContact O-N 2.96Å; D117-A120 PolarHBondContact O-N 3.12Å; K118-A120 VanDerWaalsContact C-N 3.35Å; A120-T123 WeakPolarHBondContact CA-OG1 3.3Å; A120-T123 PolarHBondContact O-N 2.77Å; A120-T123 PolarHBondContact O-OG1 3.48Å; A120-A124 WeakPolarHBondContact O-CB 3.35Å; A120-A124 PolarHBondContact O-N 3.25Å |
| 121 | K | 59.7 | Low | 68.6 | Low | 131 Ų | 131 | 83.7 Ų | 83.7 | 57% | 0.57 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66.5 | -42.2 | 175.9 | -72.8 | 165.6 | -173 | 175 | 0 | 111.6 | D117 K118 T123 A124 I125 | D117-K121 VanDerWaalsContact O-CB 3.24Å; D117-K121 WeakPolarHBondContact O-CB 3.26Å; D117-K121 WeakPolarHBondContact O-CD 3.43Å; D117-K121 WeakPolarHBondContact O-CG 3.18Å; D117-K121 PolarHBondContact O-N 3.43Å; K118-K121 PolarHBondContact O-N 2.83Å; K121-T123 VanDerWaalsContact C-N 3.34Å; K121-A124 PolarHBondContact O-N 3.35Å; K121-I125 HydrophobicContact CB-CD1 4.48Å; K121-I125 WeakPolarHBondContact O-CB 3.21Å; K121-I125 WeakPolarHBondContact O-CD1 3.42Å; K121-I125 VanDerWaalsContact O-CG1 3.23Å; K121-I125 WeakPolarHBondContact O-CG1 3.42Å; K121-I125 PolarHBondContact O-N 3.23Å |
| 122 | E | 58.6 | Low | 70.5 | Confident | 83 Ų | 83 | 81 Ų | 81 | 39% | 0.388 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.6 | -28.7 | 178.8 | -175.6 | 177.4 | 177.8 | 0 | 0 | 112.7 | K26 K118 | K26-E122 HydrophobicContact CD-CG 4.03Å; K26-E122 WeakPolarHBondContact CD-O 3.19Å; K26-E122 VanDerWaalsContact CE-O 3.28Å; K26-E122 WeakPolarHBondContact CE-O 3.48Å; K118-E122 WeakPolarHBondContact O-CB 2.84Å; K118-E122 PolarHBondContact O-N 3.13Å |
| 123 | T | 63 | Low | 72.6 | Confident | 80 Ų | 80 | 83.2 Ų | 83.2 | 49% | 0.491 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -80.8 | -31.8 | 172.7 | 50.8 | 0 | 0 | 0 | 0 | 112.4 | L119 A120 K121 | L119-T123 HydrophobicContact CD2-CG2 4.31Å; L119-T123 WeakPolarHBondContact O-CB 3.45Å; L119-T123 WeakPolarHBondContact O-CG2 3.42Å; L119-T123 PolarHBondContact O-N 3.49Å; L119-T123 PolarHBondContact O-OG1 3.04Å; A120-T123 WeakPolarHBondContact CA-OG1 3.3Å; A120-T123 PolarHBondContact O-N 2.77Å; A120-T123 PolarHBondContact O-OG1 3.48Å; K121-T123 VanDerWaalsContact C-N 3.34Å |
| 124 | A | 74.6 | Confident | 74.7 | Confident | 69 Ų | 69 | 83 Ų | 83 | 57% | 0.57 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -76 | -31.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A120 K121 D126 | A120-A124 WeakPolarHBondContact O-CB 3.35Å; A120-A124 PolarHBondContact O-N 3.25Å; K121-A124 PolarHBondContact O-N 3.35Å; A124-D126 PolarHBondContact O-N 3.2Å |
| 125 | I | 82.6 | Confident | 76.4 | Confident | 41 Ų | 41 | 82.6 Ų | 82.6 | 21% | 0.21 | 43% | 0.433 | C | S | . | . | trans | -95.5 | 97.7 | -176.3 | -60 | 163.6 | 0 | 0 | 0 | 109.1 | A29 L30 L33 K121 | A29-I125 HydrophobicContact CB-CG2 3.91Å; L30-I125 HydrophobicContact CD2-CB 3.99Å; L30-I125 HydrophobicContact CD2-CD1 3.6Å; L30-I125 HydrophobicContact CD2-CG1 4.39Å; L30-I125 HydrophobicContact CD2-CG2 3.73Å; L30-I125 HydrophobicContact CG-CG2 3.98Å; L33-I125 HydrophobicContact CD1-CB 4.16Å; L33-I125 HydrophobicContact CD1-CD1 3.78Å; L33-I125 HydrophobicContact CD1-CG1 3.68Å; L33-I125 HydrophobicContact CD1-CG2 3.39Å; L33-I125 HydrophobicContact CG-CG2 4.14Å; K121-I125 HydrophobicContact CB-CD1 4.48Å; K121-I125 WeakPolarHBondContact O-CB 3.21Å; K121-I125 WeakPolarHBondContact O-CD1 3.42Å; K121-I125 VanDerWaalsContact O-CG1 3.23Å; K121-I125 WeakPolarHBondContact O-CG1 3.42Å; K121-I125 PolarHBondContact O-N 3.23Å | ||
| 126 | D | 88.6 | Confident | 78.2 | Confident | 23 Ų | 23 | 79.7 Ų | 79.7 | 12% | 0.123 | 42% | 0.417 | C | S | . | . | trans | -141.9 | 162.3 | 176.8 | -163.5 | 1.2 | 0 | 0 | 0 | 110.2 | R25 A124 F128 R132 | R25-D126 WeakPolarHBondContact CD-OD1 3.37Å; R25-D126 WeakPolarHBondContact CG-OD1 3.38Å; R25-D126 IonicContact CZ-OD1 2.91Å; R25-D126 IonicContact CZ-OD2 3.7Å; R25-D126 IonicContact NE-OD1 2.68Å; R25-D126 PolarHBondContact NE-OD1 2.89Å; R25-D126 IonicContact NE-OD2 2.74Å; R25-D126 PolarHBondContact NE-OD2 2.94Å; R25-D126 VanDerWaalsContact NE-OD2 3.17Å; R25-D126 IonicContact NH2-OD1 3.81Å; R25-D126 IonicContact NH2-OD2 3.8Å; R25-D126 PolarHBondContact NH2-OD2 3.15Å; A124-D126 PolarHBondContact O-N 3.2Å; D126-F128 HydrophobicContact CB-CE1 4.33Å; D126-F128 HydrophobicContact CB-CE2 4.21Å; D126-F128 HydrophobicContact CB-CZ 3.9Å; D126-F128 WeakPolarHBondContact O-CD2 3.47Å; D126-F128 WeakPolarHBondContact O-CE2 3.21Å; D126-R132 IonicContact OD2-CZ 3.95Å; D126-R132 IonicContact OD2-NH2 2.82Å; D126-R132 PolarHBondContact OD2-NH2 2.94Å; D126-R132 VanDerWaalsContact OD2-NH2 3.11Å | ||
| 127 | L | 87.5 | Confident | 80 | Confident | 5 Ų | 5 | 81.1 Ų | 81.1 | 3% | 0.026 | 42% | 0.415 | C | S | . | . | trans | -75.6 | 142.2 | 166.6 | -58.2 | -179.6 | 0 | 0 | 0 | 109 | R25 E28 A29 E131 R132 W135 | R25-L127 HydrophobicContact CG-CB 4.09Å; R25-L127 HydrophobicContact CG-CD1 4Å; R25-L127 HydrophobicContact CG-CG 4.11Å; E28-L127 HydrophobicContact CG-CD1 4.17Å; A29-L127 HydrophobicContact CB-CD2 4Å; A29-L127 HydrophobicContact CB-CG 4.15Å; L127-E131 HydrophobicContact CD2-CG 4.2Å; L127-R132 HydrophobicContact CB-CB 4.17Å; L127-R132 PolarHBondContact O-NE 3.44Å; L127-R132 PolarHBondContact O-NH2 3.31Å; L127-W135 HydrophobicContact CD1-CB 3.81Å; L127-W135 HydrophobicContact CD1-CD2 4.01Å; L127-W135 HydrophobicContact CD1-CE3 4.49Å; L127-W135 HydrophobicContact CD1-CG 3.69Å | ||
| 128 | F | 88.6 | Confident | 81.6 | Confident | 122 Ų | 122 | 82 Ų | 82 | 54% | 0.535 | 42% | 0.417 | S | S | . | . | trans | -127.7 | 155 | -176.3 | -63.9 | -78.3 | 0 | 0 | 0 | 113.6 | D126 K130 E131 R132 | D126-F128 HydrophobicContact CB-CE1 4.33Å; D126-F128 HydrophobicContact CB-CE2 4.21Å; D126-F128 HydrophobicContact CB-CZ 3.9Å; D126-F128 WeakPolarHBondContact O-CD2 3.47Å; D126-F128 WeakPolarHBondContact O-CE2 3.21Å; F128-K130 PolarHBondContact O-N 3.45Å; F128-E131 PolarHBondContact O-N 2.9Å; F128-R132 PolarHBondContact O-N 2.81Å | ||
| 129 | G | 90.5 | Very high | 83.1 | Confident | 53 Ų | 53 | 79.2 Ų | 79.2 | 55% | 0.546 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | 59.5 | -120.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 130 | K | 92.6 | Very high | 84.8 | Confident | 189 Ų | 189 | 79.5 Ų | 79.5 | 82% | 0.822 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -72.3 | -39.2 | -178 | -67 | -177.4 | 179.6 | -179.4 | 0 | 112.4 | F128 R132 K133 Q134 | F128-K130 PolarHBondContact O-N 3.45Å; K130-R132 VanDerWaalsContact C-N 3.33Å; K130-R132 PolarHBondContact O-N 3.5Å; K130-K133 PolarHBondContact O-N 3.45Å; K130-Q134 WeakPolarHBondContact O-CB 3.49Å; K130-Q134 PolarHBondContact O-N 3.48Å |
| 131 | E | 91.4 | Very high | 86.4 | Confident | 77 Ų | 77 | 85 Ų | 85 | 36% | 0.36 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | -179.4 | -176.7 | -179.9 | -162 | 0 | 0 | 110.9 | R32 L127 F128 K133 Q134 W135 | R32-E131 IonicContact CZ-OE1 2.7Å; R32-E131 IonicContact NH1-OE1 2.88Å; R32-E131 PolarHBondContact NH1-OE1 2.96Å; L127-E131 HydrophobicContact CD2-CG 4.2Å; F128-E131 PolarHBondContact O-N 2.9Å; E131-K133 PolarHBondContact O-N 2.92Å; E131-Q134 PolarHBondContact O-N 3.35Å; E131-W135 WeakPolarHBondContact O-CB 3.48Å; E131-W135 PolarHBondContact O-N 2.92Å |
| 132 | R | 92.8 | Very high | 88 | Confident | 64 Ų | 64 | 83.3 Ų | 83.3 | 24% | 0.242 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -54.3 | -53.8 | 172.9 | 173.7 | 178.8 | -55 | 170.5 | -1.2 | 111.9 | D126 L127 F128 K130 Q134 W135 E136 | D126-R132 IonicContact OD2-CZ 3.95Å; D126-R132 IonicContact OD2-NH2 2.82Å; D126-R132 PolarHBondContact OD2-NH2 2.94Å; D126-R132 VanDerWaalsContact OD2-NH2 3.11Å; L127-R132 HydrophobicContact CB-CB 4.17Å; L127-R132 PolarHBondContact O-NE 3.44Å; L127-R132 PolarHBondContact O-NH2 3.31Å; F128-R132 PolarHBondContact O-N 2.81Å; K130-R132 VanDerWaalsContact C-N 3.33Å; K130-R132 PolarHBondContact O-N 3.5Å; R132-Q134 VanDerWaalsContact C-N 3.29Å; R132-Q134 PolarHBondContact O-N 3.05Å; R132-W135 PolarHBondContact O-N 2.92Å; R132-E136 WeakPolarHBondContact CD-OE1 3.21Å; R132-E136 HydrophobicContact CG-CG 4.25Å; R132-E136 WeakPolarHBondContact CG-OE1 3.43Å; R132-E136 WeakPolarHBondContact O-CB 3.37Å; R132-E136 VanDerWaalsContact O-CG 3.32Å; R132-E136 WeakPolarHBondContact O-CG 3.41Å; R132-E136 PolarHBondContact O-N 3.38Å |
| 133 | K | 93.8 | Very high | 89.5 | Confident | 140 Ų | 140 | 85.3 Ų | 85.3 | 61% | 0.609 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.8 | -39.6 | -176.8 | -69.3 | -177.7 | 179.9 | -174.2 | 0 | 111.9 | K130 E131 N137 | K130-K133 PolarHBondContact O-N 3.45Å; E131-K133 PolarHBondContact O-N 2.92Å; K133-N137 WeakPolarHBondContact O-CB 3.15Å; K133-N137 VanDerWaalsContact O-CG 3.23Å; K133-N137 PolarHBondContact O-N 3.03Å |
| 134 | Q | 94.9 | Very high | 90.6 | Very high | 116 Ų | 116 | 83.8 Ų | 83.8 | 54% | 0.542 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.8 | -50.2 | 177.4 | 178.7 | 172.2 | 2.6 | 0 | 0 | 110.6 | K130 E131 R132 E136 N137 E138 | K130-Q134 WeakPolarHBondContact O-CB 3.49Å; K130-Q134 PolarHBondContact O-N 3.48Å; E131-Q134 PolarHBondContact O-N 3.35Å; R132-Q134 VanDerWaalsContact C-N 3.29Å; R132-Q134 PolarHBondContact O-N 3.05Å; Q134-E136 PolarHBondContact O-N 3.02Å; Q134-N137 PolarHBondContact O-N 3.05Å; Q134-E138 HydrophobicContact CG-CG 4.48Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.28Å; Q134-E138 PolarHBondContact NE2-OE1 2.82Å; Q134-E138 WeakPolarHBondContact O-CB 3.28Å; Q134-E138 VanDerWaalsContact O-CG 3.28Å; Q134-E138 WeakPolarHBondContact O-CG 3.38Å; Q134-E138 PolarHBondContact O-N 2.88Å |
| 135 | W | 94 | Very high | 91.1 | Very high | 14 Ų | 14 | 88.9 Ų | 88.9 | 5% | 0.053 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 177.4 | 180 | 87.8 | 0 | 0 | 0 | 112.4 | A24 R25 E28 L127 E131 R132 N137 E138 K139 | A24-W135 HydrophobicContact CB-CH2 3.8Å; A24-W135 HydrophobicContact CB-CZ2 4.34Å; R25-W135 HydrophobicContact CB-CE3 4.23Å; R25-W135 HydrophobicContact CB-CH2 3.99Å; R25-W135 HydrophobicContact CB-CZ3 3.68Å; R25-W135 HydrophobicContact CG-CE3 4.03Å; R25-W135 HydrophobicContact CG-CZ3 4Å; E28-W135 HydrophobicContact CB-CZ2 4.3Å; L127-W135 HydrophobicContact CD1-CB 3.81Å; L127-W135 HydrophobicContact CD1-CD2 4.01Å; L127-W135 HydrophobicContact CD1-CE3 4.49Å; L127-W135 HydrophobicContact CD1-CG 3.69Å; E131-W135 WeakPolarHBondContact O-CB 3.48Å; E131-W135 PolarHBondContact O-N 2.92Å; R132-W135 PolarHBondContact O-N 2.92Å; W135-N137 VanDerWaalsContact C-N 3.35Å; W135-N137 PolarHBondContact O-N 3.23Å; W135-E138 PolarHBondContact O-N 3.43Å; W135-K139 HydrophobicContact CD2-CG 3.98Å; W135-K139 HydrophobicContact CE3-CG 4.3Å; W135-K139 HydrophobicContact CH2-CG 3.93Å; W135-K139 HydrophobicContact CZ2-CD 4.37Å; W135-K139 HydrophobicContact CZ2-CG 3.61Å; W135-K139 HydrophobicContact CZ3-CG 4.27Å; W135-K139 WeakPolarHBondContact O-CB 3.4Å; W135-K139 WeakPolarHBondContact O-CG 3.19Å; W135-K139 PolarHBondContact O-N 2.86Å |
| 136 | E | 94.2 | Very high | 91.1 | Very high | 47 Ų | 47 | 91.1 Ų | 91.1 | 22% | 0.22 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 177.5 | -74.4 | 171.9 | 178.9 | 0 | 0 | 111.2 | R25 R132 Q134 K139 L140 | R25-E136 IonicContact CZ-OE1 2.7Å; R25-E136 IonicContact NH1-OE1 3.43Å; R25-E136 PolarHBondContact NH1-OE1 3.41Å; R132-E136 WeakPolarHBondContact CD-OE1 3.21Å; R132-E136 HydrophobicContact CG-CG 4.25Å; R132-E136 WeakPolarHBondContact CG-OE1 3.43Å; R132-E136 WeakPolarHBondContact O-CB 3.37Å; R132-E136 VanDerWaalsContact O-CG 3.32Å; R132-E136 WeakPolarHBondContact O-CG 3.41Å; R132-E136 PolarHBondContact O-N 3.38Å; Q134-E136 PolarHBondContact O-N 3.02Å; E136-K139 PolarHBondContact O-N 3.47Å; E136-L140 WeakPolarHBondContact O-CB 3.46Å; E136-L140 WeakPolarHBondContact O-CG 3.32Å; E136-L140 PolarHBondContact O-N 3.31Å |
| 137 | N | 95 | Very high | 90.8 | Very high | 94 Ų | 94 | 93.1 Ų | 93.1 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 175.6 | -74.7 | -5.8 | 0 | 0 | 0 | 112.1 | K133 Q134 W135 K139 L140 E141 | K133-N137 WeakPolarHBondContact O-CB 3.15Å; K133-N137 VanDerWaalsContact O-CG 3.23Å; K133-N137 PolarHBondContact O-N 3.03Å; Q134-N137 PolarHBondContact O-N 3.05Å; W135-N137 VanDerWaalsContact C-N 3.35Å; W135-N137 PolarHBondContact O-N 3.23Å; N137-K139 VanDerWaalsContact C-N 3.27Å; N137-K139 PolarHBondContact O-N 3.46Å; N137-L140 PolarHBondContact O-N 2.93Å; N137-L140 VanDerWaalsContact O-N 3.15Å; N137-E141 WeakPolarHBondContact O-CG 3.4Å; N137-E141 PolarHBondContact O-N 3.29Å |
| 138 | E | 94.5 | Very high | 90.6 | Very high | 99 Ų | 99 | 96.9 Ų | 96.9 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.3 | -40.8 | 177.2 | -72.9 | 168.5 | -173.2 | 0 | 0 | 111 | Q134 W135 E141 E142 | Q134-E138 HydrophobicContact CG-CG 4.48Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.28Å; Q134-E138 PolarHBondContact NE2-OE1 2.82Å; Q134-E138 WeakPolarHBondContact O-CB 3.28Å; Q134-E138 VanDerWaalsContact O-CG 3.28Å; Q134-E138 WeakPolarHBondContact O-CG 3.38Å; Q134-E138 PolarHBondContact O-N 2.88Å; W135-E138 PolarHBondContact O-N 3.43Å; E138-E141 PolarHBondContact O-N 2.96Å; E138-E142 PolarHBondContact O-N 2.83Å |
| 139 | K | 92.1 | Very high | 90.4 | Very high | 57 Ų | 57 | 100.2 Ų | 100.2 | 25% | 0.248 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -71.3 | -32 | 175.8 | -73.9 | -52 | -164.3 | -176 | 0 | 114.3 | H19 V20 W135 E136 N137 E141 E142 | H19-K139 PolarHBondContact NE2-O 3.35Å; V20-K139 HydrophobicContact CG2-CB 4.29Å; W135-K139 HydrophobicContact CD2-CG 3.98Å; W135-K139 HydrophobicContact CE3-CG 4.3Å; W135-K139 HydrophobicContact CH2-CG 3.93Å; W135-K139 HydrophobicContact CZ2-CD 4.37Å; W135-K139 HydrophobicContact CZ2-CG 3.61Å; W135-K139 HydrophobicContact CZ3-CG 4.27Å; W135-K139 WeakPolarHBondContact O-CB 3.4Å; W135-K139 WeakPolarHBondContact O-CG 3.19Å; W135-K139 PolarHBondContact O-N 2.86Å; E136-K139 PolarHBondContact O-N 3.47Å; N137-K139 VanDerWaalsContact C-N 3.27Å; N137-K139 PolarHBondContact O-N 3.46Å; K139-E141 VanDerWaalsContact C-N 3.3Å; K139-E142 WeakPolarHBondContact CD-OE2 3.23Å; K139-E142 IonicContact NZ-OE2 2.78Å; K139-E142 PolarHBondContact NZ-OE2 3.13Å; K139-E142 PolarHBondContact O-N 3.41Å |
| 140 | L | 92.6 | Very high | 90.2 | Very high | 118 Ų | 118 | 99.1 Ų | 99.1 | 62% | 0.618 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -71.4 | -25.8 | 174.8 | -74.8 | 168.4 | 0 | 0 | 0 | 112.9 | V20 E136 N137 | V20-L140 HydrophobicContact CG1-CD2 4.12Å; V20-L140 HydrophobicContact CG1-CG 4.09Å; V20-L140 HydrophobicContact CG2-CD2 4.11Å; E136-L140 WeakPolarHBondContact O-CB 3.46Å; E136-L140 WeakPolarHBondContact O-CG 3.32Å; E136-L140 PolarHBondContact O-N 3.31Å; N137-L140 PolarHBondContact O-N 2.93Å; N137-L140 VanDerWaalsContact O-N 3.15Å |
| 141 | E | 93.8 | Very high | 90.1 | Very high | 163 Ų | 163 | 92.7 Ų | 92.7 | 76% | 0.762 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -80.6 | -22.3 | 174.4 | -70.1 | 176 | -173.3 | 0 | 0 | 112.7 | N137 E138 K139 | N137-E141 WeakPolarHBondContact O-CG 3.4Å; N137-E141 PolarHBondContact O-N 3.29Å; E138-E141 PolarHBondContact O-N 2.96Å; K139-E141 VanDerWaalsContact C-N 3.3Å |
| 142 | E | 91.9 | Very high | 90 | Very high | 95 Ų | 95 | 92.7 Ų | 92.7 | 44% | 0.444 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -67.6 | 131.9 | 176.4 | -170.8 | 173.6 | -166.1 | 0 | 0 | 111.3 | H19 E138 K139 V144 | H19-E142 IonicContact CE1-OE2 3.36Å; H19-E142 PolarHBondContact CE1-OE2 3.12Å; E138-E142 PolarHBondContact O-N 2.83Å; K139-E142 WeakPolarHBondContact CD-OE2 3.23Å; K139-E142 IonicContact NZ-OE2 2.78Å; K139-E142 PolarHBondContact NZ-OE2 3.13Å; K139-E142 PolarHBondContact O-N 3.41Å; E142-V144 PolarHBondContact O-N 2.82Å |
| 143 | T | 90.1 | Very high | 89.7 | Confident | 125 Ų | 125 | 94.8 Ų | 94.8 | 77% | 0.767 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -76.1 | 120.4 | 176.3 | -59.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 144 | V | 86.1 | Confident | 89.1 | Confident | 49 Ų | 49 | 91.9 Ų | 91.9 | 30% | 0.297 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -87.2 | 120.8 | 175.3 | -176 | 0 | 0 | 0 | 0 | 109.6 | H19 E142 F146 | H19-V144 HydrophobicContact CB-CG2 4.36Å; H19-V144 WeakPolarHBondContact CD2-CG2 2.98Å; H19-V144 VanDerWaalsContact NE2-CG2 3.26Å; H19-V144 WeakPolarHBondContact NE2-CG2 3.36Å; E142-V144 PolarHBondContact O-N 2.82Å; V144-F146 HydrophobicContact CG1-CE1 4.36Å; V144-F146 HydrophobicContact CG1-CZ 4.38Å |
| 145 | E | 84.8 | Confident | 88.6 | Confident | 175 Ų | 175 | 87.1 Ų | 87.1 | 82% | 0.818 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -84.3 | 122.3 | 170.2 | -64.9 | -139.2 | 164.9 | 0 | 0 | 110.7 | P147 | E145-P147 WeakPolarHBondContact O-CD 3.05Š|
| 146 | F | 83.5 | Confident | 88.4 | Confident | 88 Ų | 88 | 90 Ų | 90 | 39% | 0.386 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 117 | 173.4 | -66.8 | -71.5 | 0 | 0 | 0 | 109.2 | L12 L15 V144 A148 I150 | L12-F146 HydrophobicContact CD1-CE1 3.96Å; L12-F146 HydrophobicContact CD1-CZ 4.12Å; L15-F146 HydrophobicContact CB-CE1 4.42Å; L15-F146 HydrophobicContact CD1-CD1 3.84Å; L15-F146 HydrophobicContact CD1-CE1 4Å; V144-F146 HydrophobicContact CG1-CE1 4.36Å; V144-F146 HydrophobicContact CG1-CZ 4.38Å; F146-A148 PolarHBondContact O-N 3.43Å; F146-I150 HydrophobicContact CB-CD1 3.95Å; F146-I150 HydrophobicContact CD1-CD1 3.71Å; F146-I150 HydrophobicContact CG-CD1 4.26Å |
| 147 | P | 83.2 | Confident | 88.2 | Confident | 66 Ų | 66 | 91.6 Ų | 91.6 | 43% | 0.429 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -62 | 136 | 177.1 | 21.1 | -28.6 | 0 | 0 | 0 | 110 | E145 E149 I150 | E145-P147 WeakPolarHBondContact O-CD 3.05Å; P147-E149 PolarHBondContact O-N 3.43Å; P147-I150 HydrophobicContact CG-CG2 3.95Å; P147-I150 VanDerWaalsContact O-CG1 3.32Å; P147-I150 WeakPolarHBondContact O-CG1 3.27Å; P147-I150 PolarHBondContact O-N 3.47Å; P147-I150 VanDerWaalsContact O-N 3.13Å |
| 148 | A | 82.4 | Confident | 88.1 | Confident | 84 Ų | 84 | 87.5 Ų | 87.5 | 69% | 0.694 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -57.1 | -24.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F146 I150 I151 | F146-A148 PolarHBondContact O-N 3.43Å; A148-I150 VanDerWaalsContact C-N 3.27Å; A148-I150 PolarHBondContact O-N 3.47Å; A148-I151 PolarHBondContact O-N 2.84Å |
| 149 | E | 84.1 | Confident | 88.1 | Confident | 191 Ų | 191 | 87.2 Ų | 87.2 | 89% | 0.893 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -63.1 | -25.4 | 179.7 | -61.9 | 177.6 | -176.7 | 0 | 0 | 114.3 | P147 I151 | P147-E149 PolarHBondContact O-N 3.43Å; E149-I151 VanDerWaalsContact C-N 3.3Å |
| 150 | I | 86.4 | Confident | 87.9 | Confident | 31 Ų | 31 | 88.2 Ų | 88.2 | 16% | 0.159 | 48% | 0.48 | C | S | . | . | G | 310 helix | trans | -80.8 | -16.2 | -179.7 | 74.7 | 179.8 | 0 | 0 | 0 | 112.6 | I7 Q11 L15 F146 P147 A148 | I7-I150 HydrophobicContact CD1-CD1 3.93Å; I7-I150 HydrophobicContact CD1-CG1 4.11Å; I7-I150 HydrophobicContact CG1-CG1 4.28Å; I7-I150 HydrophobicContact CG2-CD1 4.47Å; Q11-I150 HydrophobicContact CG-CB 4.09Å; Q11-I150 HydrophobicContact CG-CG2 4.21Å; L15-I150 HydrophobicContact CD1-CD1 3.31Å; F146-I150 HydrophobicContact CB-CD1 3.95Å; F146-I150 HydrophobicContact CD1-CD1 3.71Å; F146-I150 HydrophobicContact CG-CD1 4.26Å; P147-I150 HydrophobicContact CG-CG2 3.95Å; P147-I150 VanDerWaalsContact O-CG1 3.32Å; P147-I150 WeakPolarHBondContact O-CG1 3.27Å; P147-I150 PolarHBondContact O-N 3.47Å; P147-I150 VanDerWaalsContact O-N 3.13Å; A148-I150 VanDerWaalsContact C-N 3.27Å; A148-I150 PolarHBondContact O-N 3.47Å |
| 151 | I | 90.4 | Very high | 87.7 | Confident | 53 Ų | 53 | 89 Ų | 89 | 27% | 0.272 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -86 | 116.4 | -176.6 | -58 | 174.6 | 0 | 0 | 0 | 107.2 | I7 A148 E149 P153 | I7-I151 HydrophobicContact CD1-CG1 4.04Å; I7-I151 HydrophobicContact CG1-CG1 4.01Å; A148-I151 PolarHBondContact O-N 2.84Å; E149-I151 VanDerWaalsContact C-N 3.3Å; I151-P153 VanDerWaalsContact O-CD 3.25Å; I151-P153 WeakPolarHBondContact O-CD 2.96Å |
| 152 | D | 89.9 | Confident | 87.6 | Confident | 77 Ų | 77 | 82.6 Ų | 82.6 | 41% | 0.412 | 46% | 0.457 | S | S | . | . | B | Isolated β-bridge | trans | -70.1 | 114.5 | 168.5 | 174.5 | 12.2 | 0 | 0 | 0 | 108.9 | G5 S6 A154 | G5-D152 CarbonylContact C-O 3.54Å; G5-D152 WeakPolarHBondContact CA-O 2.83Å; S6-D152 PolarHBondContact N-O 2.84Å; S6-D152 PolarHBondContact O-N 3.32Å; D152-A154 VanDerWaalsContact C-N 3.25Å; D152-A154 PolarHBondContact O-N 3.37Å; D152-A154 PolarHBondContact OD1-N 3.44Å |
| 153 | P | 86.9 | Confident | 87.6 | Confident | 109 Ų | 109 | 79.5 Ų | 79.5 | 71% | 0.708 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -73.3 | -15.5 | -176.9 | 31 | -36.1 | 0 | 0 | 0 | 113.2 | I151 P155 | I151-P153 VanDerWaalsContact O-CD 3.25Å; I151-P153 WeakPolarHBondContact O-CD 2.96Å; P153-P155 VanDerWaalsContact C-CD 3.5Å |
| 154 | A | 81.5 | Confident | 87.7 | Confident | 78 Ų | 78 | 74 Ų | 74 | 65% | 0.645 | 42% | 0.417 | S | S | * | . | trans | -132.5 | 56.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114 | D152 | D152-A154 VanDerWaalsContact C-N 3.25Å; D152-A154 PolarHBondContact O-N 3.37Å; D152-A154 PolarHBondContact OD1-N 3.44Å | ||
| 155 | P | 84.1 | Confident | 88 | Confident | 17 Ų | 17 | 74.2 Ų | 74.2 | 11% | 0.11 | 42% | 0.415 | C | S | . | . | trans | -66.5 | 147.3 | 173.5 | 29.7 | -34.7 | 0 | 0 | 0 | 111.3 | L3 P153 Q157 Y180 | L3-P155 HydrophobicContact CD2-CG 4.26Å; P153-P155 VanDerWaalsContact C-CD 3.5Å; P155-Q157 PolarHBondContact O-N 2.86Å; P155-Y180 HydrophobicContact CB-CD2 3.93Å; P155-Y180 HydrophobicContact CB-CE2 3.91Å; P155-Y180 HydrophobicContact CG-CD2 4.42Å | ||
| 156 | F | 88.2 | Confident | 88.4 | Confident | 74 Ų | 74 | 70.3 Ų | 70.3 | 33% | 0.325 | 40% | 0.399 | S | S | . | . | trans | -63 | 126.2 | 178.1 | -176.8 | -95.6 | 0 | 0 | 0 | 111.6 | L158 L170 L174 I176 A179 Y180 | F156-L158 HydrophobicContact CE1-CD2 3.68Å; F156-L158 HydrophobicContact CE1-CG 4.16Å; F156-L158 HydrophobicContact CZ-CD2 3.89Å; F156-L170 HydrophobicContact CZ-CB 4.25Å; F156-L170 HydrophobicContact CZ-CD1 4.35Å; F156-L174 HydrophobicContact CD1-CD1 4.31Å; F156-L174 HydrophobicContact CD2-CD1 3.52Å; F156-L174 HydrophobicContact CE1-CD1 3.88Å; F156-L174 HydrophobicContact CE2-CD1 3.03Å; F156-L174 HydrophobicContact CE2-CG 4.49Å; F156-L174 HydrophobicContact CG-CD1 4.13Å; F156-L174 HydrophobicContact CZ-CD1 3.21Å; F156-I176 HydrophobicContact CB-CD1 4.46Å; F156-I176 HydrophobicContact CD1-CD1 3.04Å; F156-I176 HydrophobicContact CE1-CD1 3.26Å; F156-I176 HydrophobicContact CG-CD1 3.82Å; F156-I176 HydrophobicContact CZ-CD1 4.21Å; F156-A179 HydrophobicContact CD1-CB 3.68Å; F156-A179 HydrophobicContact CE1-CB 3.93Å; F156-Y180 PolarHBondContact O-N 3.45Å | ||
| 157 | Q | 91.5 | Very high | 88.8 | Confident | 80 Ų | 80 | 66.2 Ų | 66.2 | 37% | 0.374 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 133 | -167.4 | -176.7 | 176.6 | -54.7 | 0 | 0 | 111 | P155 Y180 T182 | P155-Q157 PolarHBondContact O-N 2.86Å; Q157-Y180 CarbonylContact C-O 3.49Å; Q157-Y180 VanDerWaalsContact CA-O 3.32Å; Q157-Y180 WeakPolarHBondContact CA-O 3.36Å; Q157-T182 HydrophobicContact CG-CG2 3.55Å; Q157-T182 VanDerWaalsContact CG-OG1 3.24Å; Q157-T182 WeakPolarHBondContact CG-OG1 3.32Å; Q157-T182 PolarHBondContact NE2-OG1 2.71Å |
| 158 | L | 93.3 | Very high | 89.3 | Confident | 8 Ų | 8 | 63.6 Ų | 63.6 | 4% | 0.042 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 147.2 | 168.2 | -63.4 | -176.9 | 0 | 0 | 0 | 110.4 | F156 T162 A167 L170 F171 A179 Y180 V181 T182 | F156-L158 HydrophobicContact CE1-CD2 3.68Å; F156-L158 HydrophobicContact CE1-CG 4.16Å; F156-L158 HydrophobicContact CZ-CD2 3.89Å; L158-T162 HydrophobicContact CD2-CG2 4.18Å; L158-A167 HydrophobicContact CD1-CB 3.92Å; L158-L170 HydrophobicContact CD2-CD1 3.64Å; L158-F171 HydrophobicContact CD1-CE2 4.02Å; L158-A179 HydrophobicContact CD1-CB 4.1Å; L158-A179 HydrophobicContact CG-CB 3.91Å; L158-Y180 PolarHBondContact N-O 3.23Å; L158-V181 HydrophobicContact CB-CG2 4.3Å; L158-V181 WeakPolarHBondContact O-CA 2.95Å; L158-T182 PolarHBondContact O-N 2.84Å; L158-T182 PolarHBondContact O-OG1 3.48Å |
| 159 | V | 92.8 | Very high | 89.9 | Confident | 94 Ų | 94 | 62.3 Ų | 62.3 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 144.1 | 168.6 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | N161 T162 | V159-N161 PolarHBondContact O-N 3.3Å; V159-T162 PolarHBondContact N-OG1 3.37Å; V159-T162 VanDerWaalsContact O-CB 3.3Å; V159-T162 WeakPolarHBondContact O-CB 3.15Å; V159-T162 PolarHBondContact O-N 2.77Å; V159-T162 PolarHBondContact O-OG1 3.26Å |
| 160 | E | 88.5 | Confident | 90.3 | Very high | 78 Ų | 78 | 55.2 Ų | 55.2 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.8 | -39.8 | 179.9 | -175.3 | -178.4 | -160.9 | 0 | 0 | 114.3 | T162 T182 R183 I188 | E160-T162 VanDerWaalsContact C-N 3.29Å; E160-T162 PolarHBondContact O-N 3.07Å; E160-T182 PolarHBondContact N-O 2.95Å; E160-R183 HydrophobicContact CB-CB 4.22Å; E160-R183 VanDerWaalsContact OE2-CB 3.32Å; E160-R183 WeakPolarHBondContact OE2-CB 3.44Å; E160-R183 WeakPolarHBondContact OE2-CD 3.19Å; E160-R183 WeakPolarHBondContact OE2-CG 3.38Å; E160-R183 IonicContact OE2-NE 3.47Å; E160-R183 PolarHBondContact OE2-NE 3.22Å; E160-I188 HydrophobicContact CB-CD1 4Å; E160-I188 VanDerWaalsContact CD-CD1 3.42Å; E160-I188 HydrophobicContact CG-CD1 3.7Å |
| 161 | N | 88.8 | Confident | 90.7 | Very high | 134 Ų | 134 | 53.8 Ų | 53.8 | 72% | 0.717 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 16.8 | -177.3 | -62.2 | -27.5 | 0 | 0 | 0 | 114 | V159 G163 | V159-N161 PolarHBondContact O-N 3.3Å; N161-G163 PolarHBondContact O-N 3.45Å; N161-G163 VanDerWaalsContact O-N 3.13Å |
| 162 | T | 92 | Very high | 90.8 | Very high | 29 Ų | 29 | 56.9 Ų | 56.9 | 18% | 0.178 | 32% | 0.323 | C | S | . | . | trans | -69.2 | 111.9 | 176.4 | -53.1 | 0 | 0 | 0 | 0 | 109 | L158 V159 E160 L166 A167 L170 | L158-T162 HydrophobicContact CD2-CG2 4.18Å; V159-T162 PolarHBondContact N-OG1 3.37Å; V159-T162 VanDerWaalsContact O-CB 3.3Å; V159-T162 WeakPolarHBondContact O-CB 3.15Å; V159-T162 PolarHBondContact O-N 2.77Å; V159-T162 PolarHBondContact O-OG1 3.26Å; E160-T162 VanDerWaalsContact C-N 3.29Å; E160-T162 PolarHBondContact O-N 3.07Å; T162-L166 HydrophobicContact CG2-CB 4.16Å; T162-L166 HydrophobicContact CG2-CD2 4.08Å; T162-L166 HydrophobicContact CG2-CG 4.07Å; T162-A167 HydrophobicContact CG2-CB 4.04Å; T162-L170 HydrophobicContact CG2-CD1 4.44Å | ||
| 163 | G | 91.8 | Very high | 91 | Very high | 29 Ų | 29 | 60.1 Ų | 60.1 | 30% | 0.299 | 34% | 0.336 | S | S | . | . | trans | -60.8 | 145.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N161 M165 L166 A167 | N161-G163 PolarHBondContact O-N 3.45Å; N161-G163 VanDerWaalsContact O-N 3.13Å; G163-M165 PolarHBondContact O-N 2.89Å; G163-M165 VanDerWaalsContact O-N 3.14Å; G163-L166 PolarHBondContact O-N 3.18Å; G163-A167 PolarHBondContact O-N 3.19Å | ||
| 164 | V | 91.9 | Very high | 91.3 | Very high | 10 Ų | 10 | 59.1 Ų | 59.1 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61 | -27.7 | -174.6 | 156.3 | 0 | 0 | 0 | 0 | 114.4 | S168 I196 L200 W227 | V164-S168 WeakPolarHBondContact O-CB 3.28Å; V164-S168 PolarHBondContact O-N 3.3Å; V164-I196 HydrophobicContact CG2-CD1 4.25Å; V164-L200 HydrophobicContact CG1-CB 4.06Å; V164-W227 HydrophobicContact CB-CZ2 3.69Å; V164-W227 HydrophobicContact CG1-CZ2 3.92Å; V164-W227 HydrophobicContact CG2-CD2 3.47Å; V164-W227 VanDerWaalsContact CG2-CD2 3.47Å; V164-W227 HydrophobicContact CG2-CE3 3.98Å; V164-W227 HydrophobicContact CG2-CG 4.06Å; V164-W227 HydrophobicContact CG2-CH2 4.04Å; V164-W227 HydrophobicContact CG2-CZ2 3.38Å; V164-W227 HydrophobicContact CG2-CZ3 4.24Å |
| 165 | M | 91.4 | Very high | 91.9 | Very high | 54 Ų | 54 | 58.5 Ų | 58.5 | 27% | 0.266 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.8 | -50.1 | 171.7 | -60.8 | -62.6 | 135 | 0 | 0 | 111.4 | G163 S168 I169 L200 A203 L209 | G163-M165 PolarHBondContact O-N 2.89Å; G163-M165 VanDerWaalsContact O-N 3.14Å; M165-S168 PolarHBondContact O-N 3.38Å; M165-I169 WeakPolarHBondContact O-CG1 3.37Å; M165-I169 PolarHBondContact O-N 2.93Å; M165-L200 HydrophobicContact CE-CD1 3.21Å; M165-L200 HydrophobicContact CE-CG 4.34Å; M165-L200 HydrophobicContact SD-CD1 3.18Å; M165-L200 WeakPolarHBondContact SD-CD1 3.17Å; M165-A203 HydrophobicContact CE-CB 3.56Å; M165-L209 HydrophobicContact CE-CD1 3.47Å; M165-L209 VanDerWaalsContact CE-CD1 3.47Å; M165-L209 HydrophobicContact CE-CD2 3.62Å; M165-L209 HydrophobicContact CE-CG 4.18Å; M165-L209 HydrophobicContact CG-CD2 3.55Å; M165-L209 HydrophobicContact SD-CD1 4.25Å; M165-L209 HydrophobicContact SD-CD2 3.66Å |
| 166 | L | 92.9 | Very high | 92.3 | Very high | 93 Ų | 93 | 59.5 Ų | 59.5 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 179 | 179.8 | 59.2 | 0 | 0 | 0 | 110.6 | T162 G163 S168 I169 L170 | T162-L166 HydrophobicContact CG2-CB 4.16Å; T162-L166 HydrophobicContact CG2-CD2 4.08Å; T162-L166 HydrophobicContact CG2-CG 4.07Å; G163-L166 PolarHBondContact O-N 3.18Å; L166-S168 VanDerWaalsContact C-N 3.3Å; L166-S168 PolarHBondContact O-N 2.85Å; L166-I169 PolarHBondContact O-N 3.41Å; L166-L170 HydrophobicContact CD1-CD1 4.37Å; L166-L170 HydrophobicContact CD1-CG 4.29Å; L166-L170 HydrophobicContact CG-CD1 4.05Å; L166-L170 HydrophobicContact CG-CG 4.43Å; L166-L170 WeakPolarHBondContact O-CB 3.18Å; L166-L170 VanDerWaalsContact O-CG 3.29Å; L166-L170 WeakPolarHBondContact O-CG 3.42Å; L166-L170 PolarHBondContact O-N 3.41Å |
| 167 | A | 93.5 | Very high | 92.4 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 2% | 0.017 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.4 | -42.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L158 T162 G163 I169 L170 F171 I196 | L158-A167 HydrophobicContact CD1-CB 3.92Å; T162-A167 HydrophobicContact CG2-CB 4.04Å; G163-A167 PolarHBondContact O-N 3.19Å; A167-I169 PolarHBondContact O-N 3.45Å; A167-L170 PolarHBondContact O-N 3.05Å; A167-F171 WeakPolarHBondContact O-CB 3.44Å; A167-F171 WeakPolarHBondContact O-CD2 3.32Å; A167-F171 PolarHBondContact O-N 3Å; A167-I196 HydrophobicContact CB-CD1 3.63Å |
| 168 | S | 92.7 | Very high | 92.5 | Very high | 11 Ų | 11 | 63.6 Ų | 63.6 | 8% | 0.077 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 175.6 | -175.7 | 0 | 0 | 0 | 0 | 113 | V164 M165 L166 N172 | V164-S168 WeakPolarHBondContact O-CB 3.28Å; V164-S168 PolarHBondContact O-N 3.3Å; M165-S168 PolarHBondContact O-N 3.38Å; L166-S168 VanDerWaalsContact C-N 3.3Å; L166-S168 PolarHBondContact O-N 2.85Å; S168-N172 VanDerWaalsContact O-CG 3.26Å; S168-N172 PolarHBondContact O-N 3.11Å; S168-N172 VanDerWaalsContact O-N 3.11Å; S168-N172 PolarHBondContact O-ND2 3.42Å |
| 169 | I | 94.4 | Very high | 92.4 | Very high | 57 Ų | 57 | 63.2 Ų | 63.2 | 29% | 0.292 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.4 | -47.6 | 175.8 | -69.2 | 161.6 | 0 | 0 | 0 | 109.6 | M165 L166 A167 F171 N172 Q173 M212 | M165-I169 WeakPolarHBondContact O-CG1 3.37Å; M165-I169 PolarHBondContact O-N 2.93Å; L166-I169 PolarHBondContact O-N 3.41Å; A167-I169 PolarHBondContact O-N 3.45Å; I169-F171 PolarHBondContact O-N 2.99Å; I169-N172 PolarHBondContact O-N 3.18Å; I169-Q173 HydrophobicContact CG2-CG 4.12Å; I169-Q173 WeakPolarHBondContact O-CB 3.31Å; I169-Q173 WeakPolarHBondContact O-CG 3.43Å; I169-Q173 PolarHBondContact O-N 2.83Å; I169-M212 HydrophobicContact CD1-CE 4.42Å; I169-M212 HydrophobicContact CD1-SD 4.4Å |
| 170 | L | 94.2 | Very high | 92.5 | Very high | 41 Ų | 41 | 61.9 Ų | 61.9 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 178.7 | -70.2 | 170.7 | 0 | 0 | 0 | 112 | F156 L158 T162 L166 A167 N172 Q173 L174 | F156-L170 HydrophobicContact CZ-CB 4.25Å; F156-L170 HydrophobicContact CZ-CD1 4.35Å; L158-L170 HydrophobicContact CD2-CD1 3.64Å; T162-L170 HydrophobicContact CG2-CD1 4.44Å; L166-L170 HydrophobicContact CD1-CD1 4.37Å; L166-L170 HydrophobicContact CD1-CG 4.29Å; L166-L170 HydrophobicContact CG-CD1 4.05Å; L166-L170 HydrophobicContact CG-CG 4.43Å; L166-L170 WeakPolarHBondContact O-CB 3.18Å; L166-L170 VanDerWaalsContact O-CG 3.29Å; L166-L170 WeakPolarHBondContact O-CG 3.42Å; L166-L170 PolarHBondContact O-N 3.41Å; A167-L170 PolarHBondContact O-N 3.05Å; L170-N172 VanDerWaalsContact C-N 3.34Å; L170-N172 PolarHBondContact O-N 3.43Å; L170-Q173 PolarHBondContact O-N 2.78Å; L170-L174 VanDerWaalsContact O-CB 3.29Å; L170-L174 WeakPolarHBondContact O-CB 3.38Å; L170-L174 VanDerWaalsContact O-CG 3.26Å; L170-L174 WeakPolarHBondContact O-CG 3.47Å; L170-L174 PolarHBondContact O-N 3.17Å |
| 171 | F | 94.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.009 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 176.9 | -89.8 | -120.2 | 0 | 0 | 0 | 112.1 | L158 A167 I169 G175 I176 A179 V191 L193 I196 | L158-F171 HydrophobicContact CD1-CE2 4.02Å; A167-F171 WeakPolarHBondContact O-CB 3.44Å; A167-F171 WeakPolarHBondContact O-CD2 3.32Å; A167-F171 PolarHBondContact O-N 3Å; I169-F171 PolarHBondContact O-N 2.99Å; F171-G175 WeakPolarHBondContact O-CA 3.4Å; F171-G175 PolarHBondContact O-N 2.91Å; F171-I176 HydrophobicContact CB-CG1 4.49Å; F171-I176 HydrophobicContact CD1-CG1 4.22Å; F171-I176 WeakPolarHBondContact CD1-O 3.31Å; F171-I176 HydrophobicContact CD2-CD1 4.09Å; F171-I176 HydrophobicContact CD2-CG1 4.26Å; F171-I176 HydrophobicContact CE2-CD1 4.18Å; F171-I176 HydrophobicContact CG-CD1 4.43Å; F171-I176 HydrophobicContact CG-CG1 4.08Å; F171-I176 PolarHBondContact O-N 2.76Å; F171-A179 HydrophobicContact CE2-CB 3.6Å; F171-A179 HydrophobicContact CZ-CB 3.66Å; F171-V191 HydrophobicContact CZ-CG1 4.38Å; F171-V191 WeakPolarHBondContact CZ-O 3.43Å; F171-L193 HydrophobicContact CB-CD1 4.07Å; F171-L193 HydrophobicContact CD1-CB 3.92Å; F171-L193 HydrophobicContact CD1-CD1 3.81Å; F171-L193 HydrophobicContact CD1-CG 4.47Å; F171-L193 HydrophobicContact CE1-CB 4.2Å; F171-L193 HydrophobicContact CG-CD1 4.39Å; F171-I196 HydrophobicContact CD2-CG1 4.46Å; F171-I196 HydrophobicContact CE1-CG1 4.3Å; F171-I196 HydrophobicContact CE2-CG1 4.2Å; F171-I196 HydrophobicContact CZ-CG1 4.1Å |
| 172 | N | 92.6 | Very high | 92.9 | Very high | 117 Ų | 117 | 52.7 Ų | 52.7 | 63% | 0.626 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -70.3 | -41 | 178.3 | -70.1 | -17.6 | 0 | 0 | 0 | 112.2 | S168 I169 L170 | S168-N172 VanDerWaalsContact O-CG 3.26Å; S168-N172 PolarHBondContact O-N 3.11Å; S168-N172 VanDerWaalsContact O-N 3.11Å; S168-N172 PolarHBondContact O-ND2 3.42Å; I169-N172 PolarHBondContact O-N 3.18Å; L170-N172 VanDerWaalsContact C-N 3.34Å; L170-N172 PolarHBondContact O-N 3.43Å |
| 173 | Q | 94.5 | Very high | 93 | Very high | 145 Ų | 145 | 58 Ų | 58 | 68% | 0.678 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68.2 | -37.5 | -179.8 | -76.3 | -178.7 | -16.2 | 0 | 0 | 112.5 | I169 L170 | I169-Q173 HydrophobicContact CG2-CG 4.12Å; I169-Q173 WeakPolarHBondContact O-CB 3.31Å; I169-Q173 WeakPolarHBondContact O-CG 3.43Å; I169-Q173 PolarHBondContact O-N 2.83Å; L170-Q173 PolarHBondContact O-N 2.78Å |
| 174 | L | 93.1 | Very high | 92.9 | Very high | 89 Ų | 89 | 64.6 Ų | 64.6 | 47% | 0.466 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -93.6 | -11.4 | -176.2 | -60 | 169.6 | 0 | 0 | 0 | 113.2 | F156 L170 I176 | F156-L174 HydrophobicContact CD1-CD1 4.31Å; F156-L174 HydrophobicContact CD2-CD1 3.52Å; F156-L174 HydrophobicContact CE1-CD1 3.88Å; F156-L174 HydrophobicContact CE2-CD1 3.03Å; F156-L174 HydrophobicContact CE2-CG 4.49Å; F156-L174 HydrophobicContact CG-CD1 4.13Å; F156-L174 HydrophobicContact CZ-CD1 3.21Å; L170-L174 VanDerWaalsContact O-CB 3.29Å; L170-L174 WeakPolarHBondContact O-CB 3.38Å; L170-L174 VanDerWaalsContact O-CG 3.26Å; L170-L174 WeakPolarHBondContact O-CG 3.47Å; L170-L174 PolarHBondContact O-N 3.17Å; L174-I176 HydrophobicContact CB-CD1 4.43Å; L174-I176 HydrophobicContact CB-CG1 4.19Å; L174-I176 HydrophobicContact CB-CG2 3.95Å; L174-I176 HydrophobicContact CD1-CD1 4.23Å; L174-I176 PolarHBondContact O-N 2.74Å |
| 175 | G | 93.4 | Very high | 92.7 | Very high | 65 Ų | 65 | 65.4 Ų | 65.4 | 67% | 0.67 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 22.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | F171 | F171-G175 WeakPolarHBondContact O-CA 3.4Å; F171-G175 PolarHBondContact O-N 2.91Å |
| 176 | I | 92.1 | Very high | 92.8 | Very high | 38 Ų | 38 | 70.7 Ų | 70.7 | 20% | 0.195 | 36% | 0.363 | C | S | . | . | trans | -84.3 | 146.7 | -178 | 59.4 | 175.8 | 0 | 0 | 0 | 111.7 | F156 F171 L174 A179 | F156-I176 HydrophobicContact CB-CD1 4.46Å; F156-I176 HydrophobicContact CD1-CD1 3.04Å; F156-I176 HydrophobicContact CE1-CD1 3.26Å; F156-I176 HydrophobicContact CG-CD1 3.82Å; F156-I176 HydrophobicContact CZ-CD1 4.21Å; F171-I176 HydrophobicContact CB-CG1 4.49Å; F171-I176 HydrophobicContact CD1-CG1 4.22Å; F171-I176 WeakPolarHBondContact CD1-O 3.31Å; F171-I176 HydrophobicContact CD2-CD1 4.09Å; F171-I176 HydrophobicContact CD2-CG1 4.26Å; F171-I176 HydrophobicContact CE2-CD1 4.18Å; F171-I176 HydrophobicContact CG-CD1 4.43Å; F171-I176 HydrophobicContact CG-CG1 4.08Å; F171-I176 PolarHBondContact O-N 2.76Å; L174-I176 HydrophobicContact CB-CD1 4.43Å; L174-I176 HydrophobicContact CB-CG1 4.19Å; L174-I176 HydrophobicContact CB-CG2 3.95Å; L174-I176 HydrophobicContact CD1-CD1 4.23Å; L174-I176 PolarHBondContact O-N 2.74Å; I176-A179 HydrophobicContact CD1-CB 4.13Å | ||
| 177 | K | 91.5 | Very high | 92.8 | Very high | 175 Ų | 175 | 69.7 Ų | 69.7 | 76% | 0.761 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -90.7 | -26.7 | 178.4 | -64.5 | 178.5 | -177.7 | 174.4 | 0 | 112.9 | G192 L193 | K177-G192 CarbonylContact O-C 3.51Å; K177-G192 WeakPolarHBondContact O-CA 3.04Å; K177-L193 PolarHBondContact O-N 2.68Å |
| 178 | S | 92.3 | Very high | 92.7 | Very high | 64 Ų | 64 | 72.8 Ų | 72.8 | 45% | 0.448 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 150.2 | -176.8 | 53.6 | 0 | 0 | 0 | 0 | 110.4 | V191 | S178-V191 CarbonylContact C-O 3.45Å; S178-V191 WeakPolarHBondContact CA-O 3.45Å |
| 179 | A | 93 | Very high | 92.6 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 146 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | F156 L158 F171 I176 V191 | F156-A179 HydrophobicContact CD1-CB 3.68Å; F156-A179 HydrophobicContact CE1-CB 3.93Å; L158-A179 HydrophobicContact CD1-CB 4.1Å; L158-A179 HydrophobicContact CG-CB 3.91Å; F171-A179 HydrophobicContact CE2-CB 3.6Å; F171-A179 HydrophobicContact CZ-CB 3.66Å; I176-A179 HydrophobicContact CD1-CB 4.13Å; A179-V191 PolarHBondContact N-O 3.48Å; A179-V191 PolarHBondContact O-N 3.35Å |
| 180 | Y | 93 | Very high | 92.6 | Very high | 67 Ų | 67 | 73.6 Ų | 73.6 | 26% | 0.263 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 135.7 | 173.8 | -62.4 | -83 | 0 | 0 | 0 | 109.7 | L3 P155 F156 Q157 L158 L187 V190 | L3-Y180 HydrophobicContact CD2-CG 4.35Å; P155-Y180 HydrophobicContact CB-CD2 3.93Å; P155-Y180 HydrophobicContact CB-CE2 3.91Å; P155-Y180 HydrophobicContact CG-CD2 4.42Å; F156-Y180 PolarHBondContact O-N 3.45Å; Q157-Y180 CarbonylContact C-O 3.49Å; Q157-Y180 VanDerWaalsContact CA-O 3.32Å; Q157-Y180 WeakPolarHBondContact CA-O 3.36Å; L158-Y180 PolarHBondContact N-O 3.23Å; Y180-L187 HydrophobicContact CD1-CD1 3.85Å; Y180-L187 HydrophobicContact CG-CD1 4.39Å; Y180-V190 HydrophobicContact CD1-CG2 3.59Å; Y180-V190 HydrophobicContact CE1-CG2 3.73Å |
| 181 | V | 92.9 | Very high | 92.5 | Very high | 15 Ų | 15 | 72.5 Ų | 72.5 | 9% | 0.091 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 128 | 176.2 | -175.9 | 0 | 0 | 0 | 0 | 109 | L158 I188 G189 V191 | L158-V181 HydrophobicContact CB-CG2 4.3Å; L158-V181 WeakPolarHBondContact O-CA 2.95Å; V181-I188 PolarHBondContact O-N 3.46Å; V181-G189 PolarHBondContact N-O 3.44Å; V181-G189 PolarHBondContact O-N 3.36Å; V181-V191 HydrophobicContact CG2-CB 4.19Å; V181-V191 HydrophobicContact CG2-CG2 3.45Å; V181-V191 VanDerWaalsContact CG2-CG2 3.45Å |
| 182 | T | 93.5 | Very high | 92.5 | Very high | 4 Ų | 4 | 73 Ų | 73 | 3% | 0.025 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 154.8 | -174.9 | 60.1 | 0 | 0 | 0 | 0 | 113.2 | L3 Q157 L158 E160 R186 L187 | L3-T182 HydrophobicContact CB-CG2 4.48Å; L3-T182 HydrophobicContact CD2-CG2 4.08Å; Q157-T182 HydrophobicContact CG-CG2 3.55Å; Q157-T182 VanDerWaalsContact CG-OG1 3.24Å; Q157-T182 WeakPolarHBondContact CG-OG1 3.32Å; Q157-T182 PolarHBondContact NE2-OG1 2.71Å; L158-T182 PolarHBondContact O-N 2.84Å; L158-T182 PolarHBondContact O-OG1 3.48Å; E160-T182 PolarHBondContact N-O 2.95Å; T182-R186 CarbonylContact C-O 3.55Å; T182-R186 WeakPolarHBondContact CA-O 3.41Å; T182-R186 WeakPolarHBondContact CB-O 3.4Å; T182-L187 HydrophobicContact CG2-CD1 4.5Å |
| 183 | R | 93.5 | Very high | 92.5 | Very high | 141 Ų | 141 | 70 Ų | 70 | 53% | 0.532 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 116.2 | 169.4 | 179 | -167.1 | -171.5 | 173.7 | -7.1 | 109.1 | E160 G185 R186 I188 | E160-R183 HydrophobicContact CB-CB 4.22Å; E160-R183 VanDerWaalsContact OE2-CB 3.32Å; E160-R183 WeakPolarHBondContact OE2-CB 3.44Å; E160-R183 WeakPolarHBondContact OE2-CD 3.19Å; E160-R183 WeakPolarHBondContact OE2-CG 3.38Å; E160-R183 IonicContact OE2-NE 3.47Å; E160-R183 PolarHBondContact OE2-NE 3.22Å; R183-G185 PolarHBondContact O-N 2.91Å; R183-R186 PolarHBondContact N-O 2.95Å; R183-R186 WeakPolarHBondContact O-CB 3.13Å; R183-R186 PolarHBondContact O-N 3.04Å; R183-I188 HydrophobicContact CB-CD1 3.36Å; R183-I188 HydrophobicContact CB-CG1 4.16Å; R183-I188 HydrophobicContact CG-CD1 4.42Å |
| 184 | L | 90.4 | Very high | 92.4 | Very high | 166 Ų | 166 | 71.9 Ų | 71.9 | 87% | 0.869 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 44 | -178.3 | -54.1 | 176.1 | 0 | 0 | 0 | 111.7 | R186 | L184-R186 PolarHBondContact O-N 3.11Š|
| 185 | G | 88.5 | Confident | 92.4 | Very high | 27 Ų | 27 | 72.1 Ų | 72.1 | 28% | 0.278 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | -6.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | I2 L3 R183 | I2-G185 WeakPolarHBondContact CA-O 3.4Å; L3-G185 PolarHBondContact N-O 2.79Å; R183-G185 PolarHBondContact O-N 2.91Å |
| 186 | R | 92.6 | Very high | 92.4 | Very high | 165 Ų | 165 | 69.4 Ų | 69.4 | 62% | 0.623 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 127.2 | 174.7 | -60.9 | -180 | 178.5 | -179.9 | -0.2 | 110.3 | M1 T182 R183 L184 I188 | M1-R186 VanDerWaalsContact O-CA 3.29Å; M1-R186 WeakPolarHBondContact O-CA 3.33Å; T182-R186 CarbonylContact C-O 3.55Å; T182-R186 WeakPolarHBondContact CA-O 3.41Å; T182-R186 WeakPolarHBondContact CB-O 3.4Å; R183-R186 PolarHBondContact N-O 2.95Å; R183-R186 WeakPolarHBondContact O-CB 3.13Å; R183-R186 PolarHBondContact O-N 3.04Å; L184-R186 PolarHBondContact O-N 3.11Å; R186-I188 PolarHBondContact O-N 2.93Å |
| 187 | L | 92.3 | Very high | 92.4 | Very high | 72 Ų | 72 | 73.8 Ų | 73.8 | 38% | 0.377 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 121.2 | 173.9 | -176.9 | 66 | 0 | 0 | 0 | 109.7 | M1 L3 Y180 T182 G189 | M1-L187 PolarHBondContact O-N 2.66Å; L3-L187 HydrophobicContact CB-CB 4.4Å; Y180-L187 HydrophobicContact CD1-CD1 3.85Å; Y180-L187 HydrophobicContact CG-CD1 4.39Å; T182-L187 HydrophobicContact CG2-CD1 4.5Å; L187-G189 WeakPolarHBondContact CD1-O 3.24Å |
| 188 | I | 91.8 | Very high | 92.5 | Very high | 67 Ų | 67 | 71.7 Ų | 71.7 | 34% | 0.344 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -40.5 | 173.9 | -66.8 | 177 | 0 | 0 | 0 | 110.1 | E160 V181 R183 R186 | E160-I188 HydrophobicContact CB-CD1 4Å; E160-I188 VanDerWaalsContact CD-CD1 3.42Å; E160-I188 HydrophobicContact CG-CD1 3.7Å; V181-I188 PolarHBondContact O-N 3.46Å; R183-I188 HydrophobicContact CB-CD1 3.36Å; R183-I188 HydrophobicContact CB-CG1 4.16Å; R183-I188 HydrophobicContact CG-CD1 4.42Å; R186-I188 PolarHBondContact O-N 2.93Å |
| 189 | G | 91.9 | Very high | 92.4 | Very high | 12 Ų | 12 | 68.8 Ų | 68.8 | 12% | 0.124 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.2 | -176.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V181 L187 | V181-G189 PolarHBondContact N-O 3.44Å; V181-G189 PolarHBondContact O-N 3.36Å; L187-G189 WeakPolarHBondContact CD1-O 3.24Å |
| 190 | V | 92.6 | Very high | 92.3 | Very high | 73 Ų | 73 | 69.8 Ų | 69.8 | 44% | 0.442 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 134.7 | 175.1 | -175.3 | 0 | 0 | 0 | 0 | 107.7 | Y180 | Y180-V190 HydrophobicContact CD1-CG2 3.59Å; Y180-V190 HydrophobicContact CE1-CG2 3.73Å |
| 191 | V | 93 | Very high | 92.2 | Very high | 18 Ų | 18 | 72.5 Ų | 72.5 | 11% | 0.109 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131.2 | 178.1 | 174.8 | 0 | 0 | 0 | 0 | 108.6 | F171 S178 A179 V181 E195 I196 F229 | F171-V191 HydrophobicContact CZ-CG1 4.38Å; F171-V191 WeakPolarHBondContact CZ-O 3.43Å; S178-V191 CarbonylContact C-O 3.45Å; S178-V191 WeakPolarHBondContact CA-O 3.45Å; A179-V191 PolarHBondContact N-O 3.48Å; A179-V191 PolarHBondContact O-N 3.35Å; V181-V191 HydrophobicContact CG2-CB 4.19Å; V181-V191 HydrophobicContact CG2-CG2 3.45Å; V181-V191 VanDerWaalsContact CG2-CG2 3.45Å; V191-E195 HydrophobicContact CG1-CB 4.39Å; V191-I196 HydrophobicContact CG1-CD1 3.37Å; V191-I196 HydrophobicContact CG1-CG1 3.43Å; V191-I196 VanDerWaalsContact CG1-CG1 3.43Å; V191-F229 HydrophobicContact CG2-CE2 3.8Å |
| 192 | G | 94 | Very high | 92 | Very high | 13 Ų | 13 | 75.5 Ų | 75.5 | 13% | 0.134 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 167.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K177 R194 E195 I196 | K177-G192 CarbonylContact O-C 3.51Å; K177-G192 WeakPolarHBondContact O-CA 3.04Å; G192-R194 PolarHBondContact O-N 2.95Å; G192-E195 WeakPolarHBondContact CA-OE2 3.1Å; G192-E195 PolarHBondContact N-OE2 2.75Å; G192-E195 VanDerWaalsContact N-OE2 3.17Å; G192-E195 PolarHBondContact O-N 3.49Å; G192-E195 VanDerWaalsContact O-OE2 3.06Å; G192-I196 WeakPolarHBondContact O-CG1 3.23Å; G192-I196 PolarHBondContact O-N 3.28Å |
| 193 | L | 93 | Very high | 91.7 | Very high | 54 Ų | 54 | 75.6 Ų | 75.6 | 28% | 0.283 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63 | -27.3 | 179.1 | -179.7 | 64.7 | 0 | 0 | 0 | 112.4 | F171 K177 R197 | F171-L193 HydrophobicContact CB-CD1 4.07Å; F171-L193 HydrophobicContact CD1-CB 3.92Å; F171-L193 HydrophobicContact CD1-CD1 3.81Å; F171-L193 HydrophobicContact CD1-CG 4.47Å; F171-L193 HydrophobicContact CE1-CB 4.2Å; F171-L193 HydrophobicContact CG-CD1 4.39Å; K177-L193 PolarHBondContact O-N 2.68Å; L193-R197 WeakPolarHBondContact O-CB 3.37Å; L193-R197 VanDerWaalsContact O-CG 3.31Å; L193-R197 WeakPolarHBondContact O-CG 3.4Å; L193-R197 PolarHBondContact O-N 2.79Å; L193-R197 VanDerWaalsContact O-N 3.13Å; L193-R197 PolarHBondContact O-NE 2.95Å |
| 194 | R | 92.7 | Very high | 91.3 | Very high | 184 Ų | 184 | 76.5 Ų | 76.5 | 69% | 0.694 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -70 | -46 | 178.3 | -69 | -178 | -73.8 | -155.4 | -2.2 | 110.4 | G192 R197 Q198 | G192-R194 PolarHBondContact O-N 2.95Å; R194-R197 PolarHBondContact O-N 3Å; R194-Q198 PolarHBondContact O-N 3.01Å |
| 195 | E | 92.5 | Very high | 90.9 | Very high | 95 Ų | 95 | 79.1 Ų | 79.1 | 44% | 0.444 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 179.2 | -61.8 | 77.6 | -174.5 | 0 | 0 | 110.7 | V191 G192 G199 | V191-E195 HydrophobicContact CG1-CB 4.39Å; G192-E195 WeakPolarHBondContact CA-OE2 3.1Å; G192-E195 PolarHBondContact N-OE2 2.75Å; G192-E195 VanDerWaalsContact N-OE2 3.17Å; G192-E195 PolarHBondContact O-N 3.49Å; G192-E195 VanDerWaalsContact O-OE2 3.06Å; E195-G199 PolarHBondContact O-N 3.02Å |
| 196 | I | 93.2 | Very high | 90.3 | Very high | 7 Ų | 7 | 82.2 Ų | 82.2 | 4% | 0.036 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 174.3 | -67.7 | -60.9 | 0 | 0 | 0 | 112 | V164 A167 F171 V191 G192 G199 L200 | V164-I196 HydrophobicContact CG2-CD1 4.25Å; A167-I196 HydrophobicContact CB-CD1 3.63Å; F171-I196 HydrophobicContact CD2-CG1 4.46Å; F171-I196 HydrophobicContact CE1-CG1 4.3Å; F171-I196 HydrophobicContact CE2-CG1 4.2Å; F171-I196 HydrophobicContact CZ-CG1 4.1Å; V191-I196 HydrophobicContact CG1-CD1 3.37Å; V191-I196 HydrophobicContact CG1-CG1 3.43Å; V191-I196 VanDerWaalsContact CG1-CG1 3.43Å; G192-I196 WeakPolarHBondContact O-CG1 3.23Å; G192-I196 PolarHBondContact O-N 3.28Å; I196-G199 PolarHBondContact O-N 3.45Å; I196-L200 VanDerWaalsContact O-CB 3.23Å; I196-L200 WeakPolarHBondContact O-CB 3.21Å; I196-L200 PolarHBondContact O-N 2.78Å |
| 197 | R | 91.8 | Very high | 88.7 | Confident | 131 Ų | 131 | 81.8 Ų | 81.8 | 49% | 0.494 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.1 | -48.5 | 179.4 | -76.8 | -174.6 | -64.3 | 162.3 | -0.1 | 112.4 | L193 R194 G199 L200 E201 | L193-R197 WeakPolarHBondContact O-CB 3.37Å; L193-R197 VanDerWaalsContact O-CG 3.31Å; L193-R197 WeakPolarHBondContact O-CG 3.4Å; L193-R197 PolarHBondContact O-N 2.79Å; L193-R197 VanDerWaalsContact O-N 3.13Å; L193-R197 PolarHBondContact O-NE 2.95Å; R194-R197 PolarHBondContact O-N 3Å; R197-G199 PolarHBondContact O-N 3.36Å; R197-L200 WeakPolarHBondContact O-CB 3.32Å; R197-L200 PolarHBondContact O-N 3.48Å; R197-E201 WeakPolarHBondContact O-CG 3.36Å; R197-E201 PolarHBondContact O-N 2.89Å |
| 198 | Q | 93.3 | Very high | 87 | Confident | 131 Ų | 131 | 85.9 Ų | 85.9 | 61% | 0.612 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -57 | -38.9 | 173.7 | -177.9 | -179.9 | 9.1 | 0 | 0 | 110.5 | R194 E201 T202 | R194-Q198 PolarHBondContact O-N 3.01Å; Q198-E201 PolarHBondContact O-N 3.44Å; Q198-T202 WeakPolarHBondContact O-CB 3.39Å; Q198-T202 PolarHBondContact O-N 3.21Å; Q198-T202 PolarHBondContact O-OG1 3.23Å |
| 199 | G | 90.1 | Very high | 85.2 | Confident | 2 Ų | 2 | 85.7 Ų | 85.7 | 2% | 0.021 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -70.4 | -37.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | E195 I196 R197 T202 A203 W227 | E195-G199 PolarHBondContact O-N 3.02Å; I196-G199 PolarHBondContact O-N 3.45Å; R197-G199 PolarHBondContact O-N 3.36Å; G199-T202 PolarHBondContact O-N 3.08Å; G199-A203 VanDerWaalsContact O-CB 3.28Å; G199-A203 WeakPolarHBondContact O-CB 3.36Å; G199-A203 PolarHBondContact O-N 3.42Å; G199-W227 VanDerWaalsContact C-CH2 3.48Å; G199-W227 WeakPolarHBondContact O-CH2 3.3Å; G199-W227 WeakPolarHBondContact O-CZ2 3.12Å |
| 200 | L | 90.8 | Very high | 83.1 | Confident | 21 Ų | 21 | 89.2 Ų | 89.2 | 11% | 0.11 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.4 | -40 | 174.4 | -179.4 | 73.4 | 0 | 0 | 0 | 111.6 | V164 M165 I196 R197 R204 | V164-L200 HydrophobicContact CG1-CB 4.06Å; M165-L200 HydrophobicContact CE-CD1 3.21Å; M165-L200 HydrophobicContact CE-CG 4.34Å; M165-L200 HydrophobicContact SD-CD1 3.18Å; M165-L200 WeakPolarHBondContact SD-CD1 3.17Å; I196-L200 VanDerWaalsContact O-CB 3.23Å; I196-L200 WeakPolarHBondContact O-CB 3.21Å; I196-L200 PolarHBondContact O-N 2.78Å; R197-L200 WeakPolarHBondContact O-CB 3.32Å; R197-L200 PolarHBondContact O-N 3.48Å; L200-R204 WeakPolarHBondContact O-CB 3.46Å; L200-R204 WeakPolarHBondContact O-CG 3.47Å; L200-R204 PolarHBondContact O-N 2.73Å |
| 201 | E | 91 | Very high | 80.8 | Confident | 124 Ų | 124 | 90.9 Ų | 90.9 | 58% | 0.579 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65.6 | -42.8 | 173.6 | -72.3 | 171.4 | -168.3 | 0 | 0 | 111.7 | R197 Q198 R204 R205 | R197-E201 WeakPolarHBondContact O-CG 3.36Å; R197-E201 PolarHBondContact O-N 2.89Å; Q198-E201 PolarHBondContact O-N 3.44Å; E201-R204 PolarHBondContact O-N 3.08Å; E201-R205 WeakPolarHBondContact O-CB 3.04Å; E201-R205 PolarHBondContact O-N 2.85Å |
| 202 | T | 89.7 | Confident | 78.8 | Confident | 78 Ų | 78 | 97.7 Ų | 97.7 | 48% | 0.479 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 176.7 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | Q198 G199 R204 R205 S206 | Q198-T202 WeakPolarHBondContact O-CB 3.39Å; Q198-T202 PolarHBondContact O-N 3.21Å; Q198-T202 PolarHBondContact O-OG1 3.23Å; G199-T202 PolarHBondContact O-N 3.08Å; T202-R204 VanDerWaalsContact C-N 3.29Å; T202-R204 PolarHBondContact O-N 3.47Å; T202-R205 PolarHBondContact O-N 3.27Å; T202-S206 WeakPolarHBondContact O-CB 3.1Å; T202-S206 PolarHBondContact O-N 3.23Å |
| 203 | A | 86.1 | Confident | 76.3 | Confident | 6 Ų | 6 | 104.1 Ų | 104.1 | 5% | 0.05 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -61.9 | -36.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M165 G199 L209 I225 | M165-A203 HydrophobicContact CE-CB 3.56Å; G199-A203 VanDerWaalsContact O-CB 3.28Å; G199-A203 WeakPolarHBondContact O-CB 3.36Å; G199-A203 PolarHBondContact O-N 3.42Å; A203-L209 HydrophobicContact CB-CD1 4.33Å; A203-L209 WeakPolarHBondContact O-CD1 2.85Å; A203-I225 HydrophobicContact CB-CD1 3.85Å |
| 204 | R | 85.1 | Confident | 73.6 | Confident | 160 Ų | 160 | 109.9 Ų | 109.9 | 60% | 0.604 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.4 | -38.3 | 173.7 | -79.8 | -171 | -97.9 | -168.3 | -3.4 | 112.9 | L200 E201 T202 L209 | L200-R204 WeakPolarHBondContact O-CB 3.46Å; L200-R204 WeakPolarHBondContact O-CG 3.47Å; L200-R204 PolarHBondContact O-N 2.73Å; E201-R204 PolarHBondContact O-N 3.08Å; T202-R204 VanDerWaalsContact C-N 3.29Å; T202-R204 PolarHBondContact O-N 3.47Å; R204-L209 HydrophobicContact CG-CD1 3.88Å |
| 205 | R | 82.8 | Confident | 71.1 | Confident | 221 Ų | 221 | 107 Ų | 107 | 83% | 0.834 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -75 | -28.3 | 178.6 | -176 | 178.3 | -75.5 | -176.5 | -2.7 | 113.1 | E201 T202 E207 | E201-R205 WeakPolarHBondContact O-CB 3.04Å; E201-R205 PolarHBondContact O-N 2.85Å; T202-R205 PolarHBondContact O-N 3.27Å; R205-E207 PolarHBondContact O-N 3.2Å |
| 206 | S | 76.4 | Confident | 68.2 | Low | 93 Ų | 93 | 111.8 Ų | 111.8 | 65% | 0.65 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -1 | -177.2 | -170 | 0 | 0 | 0 | 0 | 114.6 | T202 | T202-S206 WeakPolarHBondContact O-CB 3.1Å; T202-S206 PolarHBondContact O-N 3.23Å |
| 207 | E | 58.8 | Low | 65.4 | Low | 155 Ų | 155 | 117.1 Ų | 117.1 | 72% | 0.724 | 60% | 0.597 | S | S | * | * | S | Bend | trans | 64.9 | 142.8 | 178 | -55 | -176.5 | -175.2 | 0 | 0 | 114.9 | R205 | R205-E207 PolarHBondContact O-N 3.2Š|
| 208 | N | 56.3 | Low | 62.5 | Low | 158 Ų | 158 | 120 Ų | 120 | 85% | 0.845 | 62% | 0.616 | S | S | * | * | trans | 89.9 | 50.3 | -175.9 | -51.8 | -42.8 | 0 | 0 | 0 | 119 | ||||
| 209 | L | 53.1 | Low | 59.5 | Low | 63 Ų | 63 | 117.5 Ų | 117.5 | 33% | 0.33 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -101.7 | 123.5 | 158.1 | -79.6 | 144.6 | 0 | 0 | 0 | 109.8 | M165 A203 R204 | M165-L209 HydrophobicContact CE-CD1 3.47Å; M165-L209 VanDerWaalsContact CE-CD1 3.47Å; M165-L209 HydrophobicContact CE-CD2 3.62Å; M165-L209 HydrophobicContact CE-CG 4.18Å; M165-L209 HydrophobicContact CG-CD2 3.55Å; M165-L209 HydrophobicContact SD-CD1 4.25Å; M165-L209 HydrophobicContact SD-CD2 3.66Å; A203-L209 HydrophobicContact CB-CD1 4.33Å; A203-L209 WeakPolarHBondContact O-CD1 2.85Å; R204-L209 HydrophobicContact CG-CD1 3.88Å |
| 210 | P | 49.7 | Very low | 56.9 | Low | 86 Ų | 86 | 122.7 Ų | 122.7 | 56% | 0.558 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 143 | 166.3 | 25.2 | -30.4 | 0 | 0 | 0 | 109.6 | ||
| 211 | P | 42.7 | Very low | 54.3 | Low | 108 Ų | 108 | 129.8 Ų | 129.8 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 146.3 | -179.6 | 23.9 | -32.9 | 0 | 0 | 0 | 110.9 | N213 | P211-N213 PolarHBondContact O-N 3.34Š|
| 212 | M | 52.1 | Low | 51.9 | Low | 162 Ų | 162 | 132.1 Ų | 132.1 | 80% | 0.798 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -64.9 | 22.8 | -174.1 | -104.9 | -73.2 | -72.9 | 0 | 0 | 115.2 | I169 | I169-M212 HydrophobicContact CD1-CE 4.42Å; I169-M212 HydrophobicContact CD1-SD 4.4Å |
| 213 | N | 41.2 | Very low | 49.4 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | trans | -146.5 | 52.1 | -167.2 | -134.4 | 28.9 | 0 | 0 | 0 | 113.4 | P211 | P211-N213 PolarHBondContact O-N 3.34Š| ||
| 214 | E | 36.7 | Very low | 47.3 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -141.9 | 124.5 | 161.1 | -70 | -168.2 | 166.4 | 0 | 0 | 111.6 | ||||
| 215 | P | 39.2 | Very low | 45.3 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | trans | -77.3 | 140.8 | 175.7 | 32.7 | -31.5 | 0 | 0 | 0 | 110.6 | ||||
| 216 | E | 32.5 | Very low | 43.2 | Very low | 196 Ų | 196 | 127.2 Ų | 127.2 | 92% | 0.916 | 73% | 0.733 | S | S | * | * | trans | 44.7 | 99.8 | 151.9 | -55.8 | -170.7 | 170.7 | 0 | 0 | 118.6 | ||||
| 217 | S | 34.3 | Very low | 41.9 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | trans | -141.9 | 129.5 | 144.7 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 218 | Q | 29.9 | Very low | 41.2 | Very low | 191 Ų | 191 | 126.1 Ų | 126.1 | 89% | 0.893 | 73% | 0.725 | S | S | * | * | trans | -57.9 | 149.1 | -179.1 | -61.5 | 179.5 | -12.2 | 0 | 0 | 112.7 | ||||
| 219 | G | 30.7 | Very low | 40.5 | Very low | 80 Ų | 80 | 123.3 Ų | 123.3 | 83% | 0.825 | 71% | 0.706 | S | S | * | * | trans | 75.2 | 80.1 | 148.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 220 | S | 35.6 | Very low | 39.9 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -173.2 | 145.9 | 131.9 | -156.7 | 0 | 0 | 0 | 0 | 107.5 | K222 | S220-K222 PolarHBondContact O-N 3.37Š|
| 221 | N | 36.9 | Very low | 39.2 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 90% | 0.904 | 74% | 0.738 | S | S | * | * | trans | -56.4 | 82.3 | -177.8 | -68.6 | -47.6 | 0 | 0 | 0 | 111.1 | A223 | N221-A223 PolarHBondContact O-N 3.27Š| ||
| 222 | K | 39.7 | Very low | 38.8 | Very low | 173 Ų | 173 | 135.7 Ų | 135.7 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | -61.1 | 121.2 | 175.3 | -87.1 | -178.2 | 176.3 | 173.9 | 0 | 106.2 | S220 A224 | S220-K222 PolarHBondContact O-N 3.37Å; K222-A224 VanDerWaalsContact C-N 3.3Å; K222-A224 PolarHBondContact O-N 2.92Å | ||
| 223 | A | 38.8 | Very low | 37.9 | Very low | 94 Ų | 94 | 134.5 Ų | 134.5 | 78% | 0.777 | 74% | 0.738 | S | S | * | * | trans | -40.2 | 94.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | N221 I225 | N221-A223 PolarHBondContact O-N 3.27Å; A223-I225 PolarHBondContact O-N 3.26Å | ||
| 224 | A | 40.8 | Very low | 37.6 | Very low | 69 Ų | 69 | 135.9 Ų | 135.9 | 57% | 0.57 | 74% | 0.74 | S | S | * | * | trans | -58.9 | 112.9 | 164 | 0 | 0 | 0 | 0 | 0 | 103 | K222 T226 | K222-A224 VanDerWaalsContact C-N 3.3Å; K222-A224 PolarHBondContact O-N 2.92Å; A224-T226 PolarHBondContact O-N 3.3Å; A224-T226 PolarHBondContact O-OG1 3.08Å; A224-T226 VanDerWaalsContact O-OG1 3.11Å | ||
| 225 | I | 43.1 | Very low | 37.7 | Very low | 77 Ų | 77 | 137.3 Ų | 137.3 | 40% | 0.395 | 76% | 0.76 | S | S | . | * | trans | -59.8 | 97.4 | 168.2 | -62.7 | 173.9 | 0 | 0 | 0 | 103.3 | A203 A223 W227 | A203-I225 HydrophobicContact CB-CD1 3.85Å; A223-I225 PolarHBondContact O-N 3.26Å; I225-W227 HydrophobicContact CG2-CZ2 4.47Å; I225-W227 PolarHBondContact O-N 2.96Å; I225-W227 PolarHBondContact O-NE1 3.08Å | ||
| 226 | T | 39.5 | Very low | 37.7 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | -76.9 | 109.6 | -175.5 | -49.7 | 0 | 0 | 0 | 0 | 106.8 | A224 S228 | A224-T226 PolarHBondContact O-N 3.3Å; A224-T226 PolarHBondContact O-OG1 3.08Å; A224-T226 VanDerWaalsContact O-OG1 3.11Å; T226-S228 PolarHBondContact O-N 3.46Å | ||
| 227 | W | 49 | Very low | 37.9 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 43% | 0.432 | 75% | 0.75 | S | S | . | * | trans | -78.4 | 114.5 | 173.7 | -68.5 | 67.1 | 0 | 0 | 0 | 107.4 | V164 G199 I225 F229 | V164-W227 HydrophobicContact CB-CZ2 3.69Å; V164-W227 HydrophobicContact CG1-CZ2 3.92Å; V164-W227 HydrophobicContact CG2-CD2 3.47Å; V164-W227 VanDerWaalsContact CG2-CD2 3.47Å; V164-W227 HydrophobicContact CG2-CE3 3.98Å; V164-W227 HydrophobicContact CG2-CG 4.06Å; V164-W227 HydrophobicContact CG2-CH2 4.04Å; V164-W227 HydrophobicContact CG2-CZ2 3.38Å; V164-W227 HydrophobicContact CG2-CZ3 4.24Å; G199-W227 VanDerWaalsContact C-CH2 3.48Å; G199-W227 WeakPolarHBondContact O-CH2 3.3Å; G199-W227 WeakPolarHBondContact O-CZ2 3.12Å; I225-W227 HydrophobicContact CG2-CZ2 4.47Å; I225-W227 PolarHBondContact O-N 2.96Å; I225-W227 PolarHBondContact O-NE1 3.08Å; W227-F229 PolarHBondContact O-N 2.7Å | ||
| 228 | S | 44.1 | Very low | 38.1 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | -77.9 | 108.8 | 162.2 | 54.1 | 0 | 0 | 0 | 0 | 107.7 | T226 R230 | T226-S228 PolarHBondContact O-N 3.46Å; S228-R230 PolarHBondContact O-N 3.38Å; S228-R230 VanDerWaalsContact O-N 3.09Å | ||
| 229 | F | 41.1 | Very low | 38.6 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 43% | 0.434 | 74% | 0.737 | S | S | . | * | trans | -62.3 | 114 | 167.3 | -145.9 | -91.8 | 0 | 0 | 0 | 106.5 | V191 W227 K231 | V191-F229 HydrophobicContact CG2-CE2 3.8Å; W227-F229 PolarHBondContact O-N 2.7Å; F229-K231 PolarHBondContact O-N 3.41Å | ||
| 230 | R | 39.8 | Very low | 39.1 | Very low | 223 Ų | 223 | 136 Ų | 136 | 84% | 0.842 | 73% | 0.732 | S | S | * | * | trans | -63 | 112.5 | 165.9 | -75.3 | -161.5 | -172.7 | -133.8 | 4.5 | 105.8 | S228 T232 | S228-R230 PolarHBondContact O-N 3.38Å; S228-R230 VanDerWaalsContact O-N 3.09Å; R230-T232 VanDerWaalsContact C-N 3.29Å; R230-T232 PolarHBondContact O-N 3.31Å | ||
| 231 | K | 35.7 | Very low | 39.3 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | trans | -61.2 | 91 | 174.2 | -171.7 | -175.3 | -179.8 | -165.6 | 0 | 108.2 | F229 L233 | F229-K231 PolarHBondContact O-N 3.41Å; K231-L233 VanDerWaalsContact C-N 3.27Å; K231-L233 PolarHBondContact O-N 2.79Å | ||
| 232 | T | 35.1 | Very low | 39.5 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | -88.9 | 72.9 | 164.4 | 23.3 | 0 | 0 | 0 | 0 | 108.1 | R230 | R230-T232 VanDerWaalsContact C-N 3.29Å; R230-T232 PolarHBondContact O-N 3.31Å | ||
| 233 | L | 33.1 | Very low | 39.5 | Very low | 138 Ų | 138 | 132.5 Ų | 132.5 | 72% | 0.723 | 71% | 0.713 | S | S | * | * | trans | -157.4 | 69.4 | 162.2 | -96.2 | 167.9 | 0 | 0 | 0 | 106.2 | K231 | K231-L233 VanDerWaalsContact C-N 3.27Å; K231-L233 PolarHBondContact O-N 2.79Å | ||
| 234 | E | 33.6 | Very low | 39.6 | Very low | 177 Ų | 177 | 135.8 Ų | 135.8 | 83% | 0.827 | 71% | 0.708 | S | S | * | * | trans | -110.7 | 108.9 | 149 | -77.8 | -177.3 | 173.3 | 0 | 0 | 104.9 | ||||
| 235 | V | 39.8 | Very low | 39.4 | Very low | 205 Ų | 205 | 141.8 Ų | 141.8 | 100% | 1.242 | 72% | 0.721 | S | S | * | * | trans | -87.2 | 0 | 158.5 | 175.4 | 0 | 0 | 0 | 0 | 106.1 |
Retrieved 235 of 235 residues in 246.8 ms
(Link to these results)