| 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 | 31.5 | Very low | 36.1 | Very low | 247 Ų | 247 | 145.3 Ų | 145.3 | 100% | 1.217 | 80% | 0.799 | S | S | * | * | 0 | 108.8 | 0 | -84.9 | -179 | 162.2 | 0 | 0 | 108 | |||||
| 2 | M | 22.3 | Very low | 37.5 | Very low | 186 Ų | 186 | 151.1 Ų | 151.1 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 137.4 | 172.1 | -72.4 | -74.9 | -175.9 | 0 | 0 | 108.6 | ||
| 3 | P | 33.8 | Very low | 39.6 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -74 | 137.6 | 171.9 | -7.9 | 24.7 | 0 | 0 | 0 | 110.6 | ||
| 4 | S | 31.3 | Very low | 41.6 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 152.9 | -176.6 | 55.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 5 | S | 34.2 | Very low | 43.6 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -44.7 | 126.4 | 176.1 | 61.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 6 | T | 29.1 | Very low | 45.8 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 83% | 0.828 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 142.3 | 162.8 | 30.7 | 0 | 0 | 0 | 0 | 110.4 | K8 | T6-K8 PolarHBondContact O-N 3.16Š|
| 7 | R | 34.2 | Very low | 47.8 | Very low | 244 Ų | 244 | 129.1 Ų | 129.1 | 92% | 0.921 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 128.8 | -177.1 | -77 | 178.5 | -178.1 | 170.5 | -0.2 | 111.5 | G9 | R7-G9 PolarHBondContact O-N 3.29Š|
| 8 | K | 38.1 | Very low | 50 | Low | 214 Ų | 214 | 129.4 Ų | 129.4 | 93% | 0.93 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 122.7 | 173.7 | -67.7 | 179 | 177.5 | 179.6 | 0 | 109.2 | T6 | T6-K8 PolarHBondContact O-N 3.16Š|
| 9 | G | 44.8 | Very low | 52.1 | Low | 56 Ų | 56 | 124.7 Ų | 124.7 | 58% | 0.577 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 137.7 | -16.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117 | R7 | R7-G9 PolarHBondContact O-N 3.29Š|
| 10 | V | 44.5 | Very low | 54.2 | Low | 122 Ų | 122 | 119.3 Ų | 119.3 | 74% | 0.739 | 64% | 0.643 | S | S | * | * | trans | -91.5 | 118.7 | -178.1 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 11 | T | 53.3 | Low | 56.1 | Low | 37 Ų | 37 | 118.5 Ų | 118.5 | 23% | 0.227 | 63% | 0.634 | C | S | . | * | trans | -60.9 | 130.7 | 172.1 | 45.8 | 0 | 0 | 0 | 0 | 109.7 | D13 L16 W71 | T11-D13 PolarHBondContact O-N 3.12Å; T11-L16 HydrophobicContact CG2-CD2 4.04Å; T11-W71 HydrophobicContact CG2-CH2 4.49Å; T11-W71 HydrophobicContact CG2-CZ2 3.84Å | ||
| 12 | K | 52.4 | Low | 59 | Low | 215 Ų | 215 | 116.1 Ų | 116.1 | 94% | 0.935 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -69.2 | -11.6 | -179.3 | -71.3 | -175.1 | 176.8 | -177.7 | 0 | 114.1 | ||
| 13 | D | 65.1 | Low | 62.3 | Low | 79 Ų | 79 | 112 Ų | 112 | 42% | 0.422 | 60% | 0.599 | S | S | . | * | trans | -96.7 | 116.9 | -179.5 | -175.3 | -9.9 | 0 | 0 | 0 | 109.6 | T11 E15 L16 A17 | T11-D13 PolarHBondContact O-N 3.12Å; D13-E15 VanDerWaalsContact C-N 3.32Å; D13-E15 PolarHBondContact O-N 2.88Å; D13-E15 PolarHBondContact OD1-N 3.39Å; D13-L16 HydrophobicContact CB-CB 3.99Å; D13-L16 PolarHBondContact O-N 2.93Å; D13-A17 PolarHBondContact O-N 2.87Å; D13-A17 VanDerWaalsContact O-N 3.15Å | ||
| 14 | P | 68.1 | Low | 65.2 | Low | 98 Ų | 98 | 107.9 Ų | 107.9 | 64% | 0.636 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -57 | -41 | -179.9 | -22.4 | 32.2 | 0 | 0 | 0 | 113.3 | L16 A17 D18 | P14-L16 PolarHBondContact O-N 2.91Å; P14-A17 PolarHBondContact O-N 3.27Å; P14-D18 PolarHBondContact O-N 3.48Å |
| 15 | E | 71.6 | Confident | 68.2 | Low | 146 Ų | 146 | 102.6 Ų | 102.6 | 68% | 0.682 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.8 | -27.7 | -178.7 | -70.5 | -171.4 | 176 | 0 | 0 | 112.2 | D13 | D13-E15 VanDerWaalsContact C-N 3.32Å; D13-E15 PolarHBondContact O-N 2.88Å; D13-E15 PolarHBondContact OD1-N 3.39Å |
| 16 | L | 78.4 | Confident | 71 | Confident | 27 Ų | 27 | 102.6 Ų | 102.6 | 14% | 0.141 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -81.4 | -30.5 | 178.2 | -135.6 | 82.2 | 0 | 0 | 0 | 111.9 | T11 D13 P14 D18 L19 F20 W71 I75 | T11-L16 HydrophobicContact CG2-CD2 4.04Å; D13-L16 HydrophobicContact CB-CB 3.99Å; D13-L16 PolarHBondContact O-N 2.93Å; P14-L16 PolarHBondContact O-N 2.91Å; L16-D18 VanDerWaalsContact C-N 3.32Å; L16-L19 HydrophobicContact CD1-CD1 4.35Å; L16-L19 HydrophobicContact CG-CD1 4.45Å; L16-L19 PolarHBondContact O-N 2.71Å; L16-F20 VanDerWaalsContact O-CD2 3.26Å; L16-F20 WeakPolarHBondContact O-CD2 3.38Å; L16-F20 WeakPolarHBondContact O-CE2 3.35Å; L16-W71 HydrophobicContact CD2-CZ2 3.66Å; L16-I75 HydrophobicContact CD1-CD1 4.01Å; L16-I75 HydrophobicContact CD1-CG1 4.39Å; L16-I75 HydrophobicContact CD1-CG2 4.17Å; L16-I75 HydrophobicContact CD2-CD1 3.95Å; L16-I75 HydrophobicContact CD2-CG1 4.35Å; L16-I75 HydrophobicContact CG-CD1 3.75Å; L16-I75 HydrophobicContact CG-CG1 4.47Å |
| 17 | A | 80.3 | Confident | 74.1 | Confident | 31 Ų | 31 | 102.6 Ų | 102.6 | 26% | 0.256 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.1 | -33.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D13 P14 L19 F20 | D13-A17 PolarHBondContact O-N 2.87Å; D13-A17 VanDerWaalsContact O-N 3.15Å; P14-A17 PolarHBondContact O-N 3.27Å; A17-L19 PolarHBondContact O-N 3.28Å; A17-F20 PolarHBondContact O-N 3.43Å |
| 18 | D | 87.3 | Confident | 77 | Confident | 136 Ų | 136 | 91.2 Ų | 91.2 | 73% | 0.727 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -13.9 | -179.4 | -69.7 | -17.9 | 0 | 0 | 0 | 113.8 | P14 L16 F20 | P14-D18 PolarHBondContact O-N 3.48Å; L16-D18 VanDerWaalsContact C-N 3.32Å; D18-F20 PolarHBondContact O-N 3.31Å |
| 19 | L | 90.1 | Very high | 79.8 | Confident | 40 Ų | 40 | 81.4 Ų | 81.4 | 21% | 0.209 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -15 | 175.4 | -63.5 | 173.3 | 0 | 0 | 0 | 113.2 | L16 A17 I75 V78 K79 | L16-L19 HydrophobicContact CD1-CD1 4.35Å; L16-L19 HydrophobicContact CG-CD1 4.45Å; L16-L19 PolarHBondContact O-N 2.71Å; A17-L19 PolarHBondContact O-N 3.28Å; L19-I75 HydrophobicContact CD1-CD1 3.81Å; L19-I75 HydrophobicContact CD1-CG2 4.17Å; L19-V78 HydrophobicContact CB-CG1 4.17Å; L19-V78 HydrophobicContact CD2-CG1 4.47Å; L19-K79 HydrophobicContact CD1-CG 4.06Å; L19-K79 HydrophobicContact CD2-CG 3.99Å |
| 20 | F | 94 | Very high | 82.1 | Confident | 16 Ų | 16 | 80.8 Ų | 80.8 | 7% | 0.07 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -125.1 | 137.6 | -172.3 | -54.4 | -85.1 | 0 | 0 | 0 | 112.1 | L16 A17 D18 W71 I75 C95 L97 A102 | L16-F20 VanDerWaalsContact O-CD2 3.26Å; L16-F20 WeakPolarHBondContact O-CD2 3.38Å; L16-F20 WeakPolarHBondContact O-CE2 3.35Å; A17-F20 PolarHBondContact O-N 3.43Å; D18-F20 PolarHBondContact O-N 3.31Å; F20-W71 HydrophobicContact CE1-CH2 4.33Å; F20-W71 AromaticContact CE2-CH2 3.65Å; F20-W71 HydrophobicContact CE2-CH2 3.65Å; F20-W71 HydrophobicContact CE2-CZ2 4.04Å; F20-W71 AromaticContact CZ-CH2 3.43Å; F20-W71 HydrophobicContact CZ-CH2 3.43Å; F20-W71 VanDerWaalsContact CZ-CH2 3.43Å; F20-W71 HydrophobicContact CZ-CZ2 4.13Å; F20-W71 HydrophobicContact CZ-CZ3 4.08Å; F20-I75 HydrophobicContact CE2-CD1 3.69Å; F20-I75 HydrophobicContact CZ-CD1 3.61Å; F20-C95 CarbonylContact C-O 3.57Å; F20-C95 VanDerWaalsContact CA-O 3.25Å; F20-C95 WeakPolarHBondContact CA-O 3.39Å; F20-C95 HydrophobicContact CD1-CB 3.81Å; F20-C95 HydrophobicContact CE1-CB 4.15Å; F20-C95 VanDerWaalsContact CE1-SG 3.57Å; F20-L97 HydrophobicContact CB-CD1 3.88Å; F20-L97 HydrophobicContact CB-CG 4.31Å; F20-L97 HydrophobicContact CD1-CD1 3.66Å; F20-L97 HydrophobicContact CD1-CG 3.64Å; F20-L97 HydrophobicContact CD2-CD1 3.46Å; F20-L97 VanDerWaalsContact CD2-CD1 3.46Å; F20-L97 HydrophobicContact CD2-CG 4.36Å; F20-L97 HydrophobicContact CE1-CD1 3.99Å; F20-L97 HydrophobicContact CE1-CD2 4.42Å; F20-L97 HydrophobicContact CE1-CG 3.96Å; F20-L97 HydrophobicContact CE2-CD1 3.82Å; F20-L97 HydrophobicContact CG-CD1 3.37Å; F20-L97 HydrophobicContact CG-CG 3.85Å; F20-L97 HydrophobicContact CZ-CD1 4.06Å; F20-L97 HydrophobicContact CZ-CG 4.46Å; F20-A102 HydrophobicContact CE1-CB 4.41Å |
| 21 | F | 94.1 | Very high | 84.3 | Confident | 103 Ų | 103 | 79.2 Ų | 79.2 | 45% | 0.452 | 40% | 0.399 | S | S | . | . | B | Isolated β-bridge | trans | -68.5 | 148 | 169.4 | -71.9 | -63.1 | 0 | 0 | 0 | 111.1 | C95 Y96 | F21-C95 PolarHBondContact N-O 2.84Å; F21-Y96 HydrophobicContact CB-CD1 3.57Å; F21-Y96 HydrophobicContact CB-CE1 3.39Å; F21-Y96 HydrophobicContact CB-CE2 4.47Å; F21-Y96 HydrophobicContact CB-CG 4.2Å; F21-Y96 HydrophobicContact CD2-CE1 4.17Å; F21-Y96 AromaticContact CD2-CE2 3.92Å; F21-Y96 HydrophobicContact CD2-CE2 3.92Å; F21-Y96 AromaticContact CD2-CZ 3.73Å; F21-Y96 HydrophobicContact CG-CE1 4.06Å |
| 22 | K | 91.3 | Very high | 86.2 | Confident | 197 Ų | 197 | 80.1 Ų | 80.1 | 86% | 0.857 | 40% | 0.402 | S | S | * | . | trans | -89.5 | -16.6 | -173.1 | -64.4 | -179.8 | -177.3 | 172.3 | 0 | 113.5 | ||||
| 23 | D | 93.1 | Very high | 88.1 | Confident | 98 Ų | 98 | 73.7 Ų | 73.7 | 52% | 0.524 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -69 | 154.2 | -179.9 | -51.5 | -68.9 | 0 | 0 | 0 | 111.3 | P25 V28 Y96 | D23-P25 WeakPolarHBondContact O-CD 3.05Å; D23-V28 HydrophobicContact CB-CG2 3.92Å; D23-Y96 HydrophobicContact CB-CE1 4.21Å; D23-Y96 WeakPolarHBondContact O-CD1 3.38Å |
| 24 | D | 93 | Very high | 89.3 | Confident | 42 Ų | 42 | 74.8 Ų | 74.8 | 23% | 0.225 | 38% | 0.378 | C | S | . | . | trans | -76.5 | 115.5 | 176.4 | -166.1 | -22.4 | 0 | 0 | 0 | 110.1 | E26 E27 V28 K98 | D24-E26 PolarHBondContact O-N 3.24Å; D24-E26 VanDerWaalsContact O-N 3.13Å; D24-E26 PolarHBondContact OD1-N 3.39Å; D24-E27 HydrophobicContact CB-CB 4.48Å; D24-E27 HydrophobicContact CB-CG 4.15Å; D24-E27 PolarHBondContact O-N 3.49Å; D24-V28 WeakPolarHBondContact O-CG2 3.48Å; D24-V28 PolarHBondContact O-N 3.44Å; D24-K98 IonicContact OD1-NZ 2.82Å; D24-K98 IonicContact OD2-NZ 3.02Å; D24-K98 PolarHBondContact OD2-NZ 2.78Å | ||
| 25 | P | 95.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.8 | -20.7 | -177 | 26.3 | -35 | 0 | 0 | 0 | 113.7 | D23 E27 V28 F29 Y96 K98 W103 | D23-P25 WeakPolarHBondContact O-CD 3.05Å; P25-E27 VanDerWaalsContact C-N 3.29Å; P25-V28 PolarHBondContact O-N 3.47Å; P25-F29 HydrophobicContact CB-CD2 4.28Å; P25-F29 WeakPolarHBondContact O-CD2 3.43Å; P25-F29 PolarHBondContact O-N 3.44Å; P25-Y96 HydrophobicContact CB-CD1 4.36Å; P25-Y96 HydrophobicContact CB-CG 4.03Å; P25-K98 HydrophobicContact CG-CB 3.79Å; P25-W103 HydrophobicContact CB-CB 4.41Å; P25-W103 HydrophobicContact CB-CD2 3.74Å; P25-W103 HydrophobicContact CB-CE3 3.61Å; P25-W103 HydrophobicContact CB-CG 4.14Å; P25-W103 HydrophobicContact CB-CH2 4.42Å; P25-W103 HydrophobicContact CB-CZ3 3.98Å; P25-W103 HydrophobicContact CG-CD2 3.88Å; P25-W103 HydrophobicContact CG-CE3 4.22Å; P25-W103 HydrophobicContact CG-CG 4.08Å; P25-W103 HydrophobicContact CG-CZ2 4.32Å |
| 26 | E | 93.6 | Very high | 90.8 | Very high | 119 Ų | 119 | 65.9 Ų | 65.9 | 56% | 0.556 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -73 | -21.3 | 175.4 | -66.2 | -171.9 | 160.2 | 0 | 0 | 113.1 | D24 W103 | D24-E26 PolarHBondContact O-N 3.24Å; D24-E26 VanDerWaalsContact O-N 3.13Å; D24-E26 PolarHBondContact OD1-N 3.39Å; E26-W103 HydrophobicContact CG-CH2 3.82Å; E26-W103 HydrophobicContact CG-CZ2 3.96Å |
| 27 | E | 93.1 | Very high | 90.8 | Very high | 135 Ų | 135 | 69.8 Ų | 69.8 | 63% | 0.631 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -88.8 | -33 | 173.2 | -61.5 | -175.9 | 168.9 | 0 | 0 | 111.2 | D24 P25 S49 | D24-E27 HydrophobicContact CB-CB 4.48Å; D24-E27 HydrophobicContact CB-CG 4.15Å; D24-E27 PolarHBondContact O-N 3.49Å; P25-E27 VanDerWaalsContact C-N 3.29Å; E27-S49 PolarHBondContact O-OG 2.92Å |
| 28 | V | 95.3 | Very high | 90.2 | Very high | 5 Ų | 5 | 70.5 Ų | 70.5 | 3% | 0.03 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -74.7 | -34.8 | -178.3 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | D23 D24 P25 S49 Y50 Y96 | D23-V28 HydrophobicContact CB-CG2 3.92Å; D24-V28 WeakPolarHBondContact O-CG2 3.48Å; D24-V28 PolarHBondContact O-N 3.44Å; P25-V28 PolarHBondContact O-N 3.47Å; V28-S49 WeakPolarHBondContact O-CB 3.36Å; V28-S49 PolarHBondContact O-N 3.09Å; V28-S49 PolarHBondContact O-OG 2.85Å; V28-Y50 HydrophobicContact CB-CE2 4.14Å; V28-Y50 HydrophobicContact CG1-CD2 4.25Å; V28-Y50 HydrophobicContact CG1-CE2 4.03Å; V28-Y50 HydrophobicContact CG2-CE2 4.02Å; V28-Y96 HydrophobicContact CG2-CE1 4.24Å |
| 29 | F | 96.8 | Very high | 88.8 | Confident | 7 Ų | 7 | 67.2 Ų | 67.2 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.9 | -172.5 | -58.6 | -72.7 | 0 | 0 | 0 | 113.1 | P25 L32 A46 R47 N48 V55 I57 Y96 V105 | P25-F29 HydrophobicContact CB-CD2 4.28Å; P25-F29 WeakPolarHBondContact O-CD2 3.43Å; P25-F29 PolarHBondContact O-N 3.44Å; F29-L32 HydrophobicContact CB-CD1 4.31Å; F29-A46 HydrophobicContact CB-CB 4.29Å; F29-R47 WeakPolarHBondContact CA-O 3.28Å; F29-N48 HydrophobicContact CD1-CB 4.23Å; F29-N48 HydrophobicContact CE1-CB 4.07Å; F29-V55 HydrophobicContact CD1-CG2 3.79Å; F29-V55 HydrophobicContact CE1-CG2 3.71Å; F29-I57 HydrophobicContact CB-CD1 3.74Å; F29-I57 HydrophobicContact CD1-CD1 3.83Å; F29-I57 HydrophobicContact CD2-CD1 3.66Å; F29-I57 HydrophobicContact CE1-CD1 4.37Å; F29-I57 HydrophobicContact CE2-CD1 4.22Å; F29-I57 HydrophobicContact CG-CD1 3.45Å; F29-I57 VanDerWaalsContact CG-CD1 3.45Å; F29-Y96 HydrophobicContact CE2-CD2 4.02Å; F29-Y96 AromaticContact CE2-CE2 3.68Å; F29-Y96 HydrophobicContact CE2-CE2 3.68Å; F29-Y96 AromaticContact CZ-CE2 3.94Å; F29-Y96 HydrophobicContact CZ-CE2 3.94Å; F29-V105 HydrophobicContact CE1-CG1 4.08Å; F29-V105 HydrophobicContact CE2-CG2 3.75Å; F29-V105 HydrophobicContact CZ-CB 4.35Å; F29-V105 HydrophobicContact CZ-CG1 3.82Å; F29-V105 HydrophobicContact CZ-CG2 3.67Å |
| 30 | C | 94 | Very high | 87.6 | Confident | 44 Ų | 44 | 67.4 Ų | 67.4 | 30% | 0.297 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 176.9 | 176.6 | 66 | 0 | 0 | 0 | 0 | 111.9 | L32 R47 | C30-L32 PolarHBondContact O-N 2.88Å; C30-R47 PolarHBondContact N-O 3.09Å; C30-R47 PolarHBondContact O-N 2.94Å |
| 31 | D | 91.3 | Very high | 86.8 | Confident | 88 Ų | 88 | 68 Ų | 68 | 47% | 0.471 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.5 | 43.5 | 177 | -61.9 | -20.9 | 0 | 0 | 0 | 114.9 | H33 | D31-H33 PolarHBondContact O-N 3.43Å; D31-H33 PolarHBondContact O-ND1 3.32Å |
| 32 | L | 93.4 | Very high | 86.5 | Confident | 56 Ų | 56 | 63.8 Ų | 63.8 | 29% | 0.293 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 117.4 | -179.6 | -82.2 | 72.8 | 0 | 0 | 0 | 111.6 | F29 C30 Y44 F45 A46 W103 | F29-L32 HydrophobicContact CB-CD1 4.31Å; C30-L32 PolarHBondContact O-N 2.88Å; L32-Y44 HydrophobicContact CB-CD1 4.24Å; L32-Y44 HydrophobicContact CD2-CG 4.45Å; L32-F45 CarbonylContact C-O 3.59Å; L32-F45 VanDerWaalsContact CA-O 3.27Å; L32-F45 WeakPolarHBondContact CA-O 3.19Å; L32-A46 HydrophobicContact CD1-CB 4.02Å; L32-A46 HydrophobicContact CG-CB 4.11Å; L32-W103 HydrophobicContact CD2-CH2 3.96Å; L32-W103 HydrophobicContact CD2-CZ3 3.82Å |
| 33 | H | 91.4 | Very high | 86.5 | Confident | 81 Ų | 81 | 56 Ų | 56 | 38% | 0.375 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 124.4 | 174.1 | -65.6 | 80.7 | 0 | 0 | 0 | 110 | D31 I35 Y44 F45 Y318 | D31-H33 PolarHBondContact O-N 3.43Å; D31-H33 PolarHBondContact O-ND1 3.32Å; H33-I35 PolarHBondContact O-N 2.9Å; H33-Y44 CarbonylContact O-C 3.48Å; H33-Y44 VanDerWaalsContact O-CA 3.26Å; H33-Y44 WeakPolarHBondContact O-CA 3.35Å; H33-F45 HydrophobicContact CB-CB 4.35Å; H33-F45 PolarHBondContact N-O 3.24Å; H33-F45 PolarHBondContact O-N 3.26Å; H33-Y318 HydrophobicContact CB-CD2 4.21Å; H33-Y318 HydrophobicContact CB-CE2 3.52Å |
| 34 | E | 90.7 | Very high | 86.6 | Confident | 101 Ų | 101 | 53.9 Ų | 53.9 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 128.2 | 178.3 | -166.2 | 178.8 | 140.5 | 0 | 0 | 110.7 | A42 Y44 | E34-A42 HydrophobicContact CG-CB 4.19Å; E34-Y44 HydrophobicContact CB-CD1 4.04Å; E34-Y44 HydrophobicContact CB-CE1 3.81Å; E34-Y44 HydrophobicContact CG-CE1 4.22Å |
| 35 | I | 87.6 | Confident | 86.6 | Confident | 30 Ų | 30 | 52.3 Ų | 52.3 | 15% | 0.154 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | -14.8 | -179.9 | 57.8 | 174.9 | 0 | 0 | 0 | 112.8 | H33 V43 F45 A56 Y108 K315 Y318 | H33-I35 PolarHBondContact O-N 2.9Å; I35-V43 HydrophobicContact CD1-CG1 4.02Å; I35-V43 HydrophobicContact CG1-CB 4.24Å; I35-V43 HydrophobicContact CG1-CG1 3.96Å; I35-V43 VanDerWaalsContact CG1-O 3.3Å; I35-V43 WeakPolarHBondContact CG1-O 3.22Å; I35-V43 PolarHBondContact N-O 3.22Å; I35-F45 HydrophobicContact CD1-CB 4.47Å; I35-F45 HydrophobicContact CG2-CB 3.7Å; I35-A56 HydrophobicContact CD1-CB 4.47Å; I35-Y108 HydrophobicContact CD1-CD2 4.11Å; I35-Y108 HydrophobicContact CD1-CE2 3.79Å; I35-K315 HydrophobicContact CB-CB 4.36Å; I35-K315 HydrophobicContact CB-CD 4.37Å; I35-K315 HydrophobicContact CG2-CB 3.98Å; I35-K315 VanDerWaalsContact O-CD 3.25Å; I35-K315 WeakPolarHBondContact O-CD 3.33Å; I35-K315 PolarHBondContact O-NZ 3.49Å; I35-Y318 HydrophobicContact CG2-CD2 3.92Å; I35-Y318 HydrophobicContact CG2-CE2 3.74Å |
| 36 | G | 82.8 | Confident | 86.7 | Confident | 27 Ų | 27 | 52.3 Ų | 52.3 | 28% | 0.278 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | 166 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V43 | G36-V43 PolarHBondContact N-O 3.45Å; G36-V43 PolarHBondContact O-N 3.04Å |
| 37 | H | 79 | Confident | 86.7 | Confident | 110 Ų | 110 | 49 Ų | 49 | 51% | 0.509 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 150 | 174.6 | 71.9 | -21.3 | 0 | 0 | 0 | 109.7 | H454 | H37-H454 AromaticContact CD2-CD2 3.99Å; H37-H454 AromaticContact NE2-CD2 3.81Å |
| 38 | G | 66.6 | Low | 86.8 | Confident | 45 Ų | 45 | 43.8 Ų | 43.8 | 46% | 0.464 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | -172.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F40 G41 | G38-F40 PolarHBondContact O-N 2.98Å; G38-F40 VanDerWaalsContact O-N 3.13Å; G38-G41 PolarHBondContact N-O 3.43Å; G38-G41 PolarHBondContact O-N 2.97Å |
| 39 | S | 58.9 | Low | 86.7 | Confident | 67 Ų | 67 | 46 Ų | 46 | 47% | 0.469 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -27.9 | -172.5 | 54.8 | 0 | 0 | 0 | 0 | 114.9 | ||
| 40 | F | 64.4 | Low | 86.5 | Confident | 45 Ų | 45 | 53.5 Ų | 53.5 | 20% | 0.197 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -17.9 | 179.6 | -65.3 | -78.2 | 0 | 0 | 0 | 113.1 | G38 M60 S61 D73 | G38-F40 PolarHBondContact O-N 2.98Å; G38-F40 VanDerWaalsContact O-N 3.13Å; F40-M60 HydrophobicContact CB-CB 4.36Å; F40-M60 HydrophobicContact CB-CG 3.87Å; F40-M60 HydrophobicContact CB-SD 4.21Å; F40-M60 VanDerWaalsContact O-CA 3.29Å; F40-M60 WeakPolarHBondContact O-CA 3.39Å; F40-S61 PolarHBondContact O-N 3.36Å; F40-D73 HydrophobicContact CE1-CB 3.64Å; F40-D73 HydrophobicContact CZ-CB 3.93Å |
| 41 | G | 76.8 | Confident | 86.4 | Confident | 28 Ų | 28 | 54.5 Ų | 54.5 | 29% | 0.289 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.1 | -161.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | G38 K59 | G38-G41 PolarHBondContact N-O 3.43Å; G38-G41 PolarHBondContact O-N 2.97Å; G41-K59 WeakPolarHBondContact CA-O 3.44Å |
| 42 | A | 87.8 | Confident | 86.4 | Confident | 15 Ų | 15 | 55.4 Ų | 55.4 | 12% | 0.124 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 147.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E34 Y44 K59 | E34-A42 HydrophobicContact CG-CB 4.19Å; A42-Y44 HydrophobicContact CB-CD2 4.37Å; A42-Y44 HydrophobicContact CB-CE2 3.47Å; A42-Y44 VanDerWaalsContact CB-CE2 3.47Å; A42-Y44 WeakPolarHBondContact CB-OH 3.16Å; A42-K59 PolarHBondContact N-O 2.88Å; A42-K59 PolarHBondContact O-N 3.38Å |
| 43 | V | 91.9 | Very high | 86.4 | Confident | 33 Ų | 33 | 56.8 Ų | 56.8 | 20% | 0.2 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130.2 | 174.5 | -171.5 | 0 | 0 | 0 | 0 | 108.3 | I35 G36 A56 I57 K58 | I35-V43 HydrophobicContact CD1-CG1 4.02Å; I35-V43 HydrophobicContact CG1-CB 4.24Å; I35-V43 HydrophobicContact CG1-CG1 3.96Å; I35-V43 VanDerWaalsContact CG1-O 3.3Å; I35-V43 WeakPolarHBondContact CG1-O 3.22Å; I35-V43 PolarHBondContact N-O 3.22Å; G36-V43 PolarHBondContact N-O 3.45Å; G36-V43 PolarHBondContact O-N 3.04Å; V43-A56 HydrophobicContact CG1-CB 4.45Å; V43-I57 CarbonylContact C-O 3.52Å; V43-I57 WeakPolarHBondContact CA-O 3.3Å; V43-K58 HydrophobicContact CG2-CB 4.16Å; V43-K58 HydrophobicContact CG2-CG 4.06Å |
| 44 | Y | 94.4 | Very high | 86.6 | Confident | 53 Ų | 53 | 54.2 Ų | 54.2 | 21% | 0.208 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 137.7 | -176.3 | -62 | -93.2 | 0 | 0 | 0 | 110.6 | L32 H33 E34 A42 A56 I57 K59 | L32-Y44 HydrophobicContact CB-CD1 4.24Å; L32-Y44 HydrophobicContact CD2-CG 4.45Å; H33-Y44 CarbonylContact O-C 3.48Å; H33-Y44 VanDerWaalsContact O-CA 3.26Å; H33-Y44 WeakPolarHBondContact O-CA 3.35Å; E34-Y44 HydrophobicContact CB-CD1 4.04Å; E34-Y44 HydrophobicContact CB-CE1 3.81Å; E34-Y44 HydrophobicContact CG-CE1 4.22Å; A42-Y44 HydrophobicContact CB-CD2 4.37Å; A42-Y44 HydrophobicContact CB-CE2 3.47Å; A42-Y44 VanDerWaalsContact CB-CE2 3.47Å; A42-Y44 WeakPolarHBondContact CB-OH 3.16Å; Y44-A56 CarbonylContact O-C 3.57Å; Y44-A56 WeakPolarHBondContact O-CA 3.22Å; Y44-I57 PolarHBondContact N-O 3.08Å; Y44-I57 PolarHBondContact O-N 3.39Å; Y44-K59 HydrophobicContact CD2-CD 4.04Å; Y44-K59 HydrophobicContact CD2-CG 3.95Å; Y44-K59 HydrophobicContact CE2-CB 4.18Å; Y44-K59 HydrophobicContact CE2-CD 3.76Å; Y44-K59 HydrophobicContact CE2-CG 3.94Å |
| 45 | F | 94.8 | Very high | 86.9 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 4% | 0.044 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 137.4 | 151.7 | 169.9 | -79.8 | 0 | 0 | 0 | 107.8 | L32 H33 I35 V54 Y108 Y318 Q319 | L32-F45 CarbonylContact C-O 3.59Å; L32-F45 VanDerWaalsContact CA-O 3.27Å; L32-F45 WeakPolarHBondContact CA-O 3.19Å; H33-F45 HydrophobicContact CB-CB 4.35Å; H33-F45 PolarHBondContact N-O 3.24Å; H33-F45 PolarHBondContact O-N 3.26Å; I35-F45 HydrophobicContact CD1-CB 4.47Å; I35-F45 HydrophobicContact CG2-CB 3.7Å; F45-V54 HydrophobicContact CD2-CG1 3.67Å; F45-V54 HydrophobicContact CE2-CB 4.38Å; F45-V54 HydrophobicContact CE2-CG1 3.17Å; F45-V54 HydrophobicContact CE2-CG2 4.29Å; F45-V54 HydrophobicContact CZ-CG1 3.72Å; F45-V54 HydrophobicContact CZ-CG2 4.14Å; F45-Y108 HydrophobicContact CB-CE2 4.18Å; F45-Y108 HydrophobicContact CD2-CD1 4.48Å; F45-Y108 AromaticContact CD2-CD2 3.9Å; F45-Y108 HydrophobicContact CD2-CD2 3.9Å; F45-Y108 HydrophobicContact CD2-CE1 4.18Å; F45-Y108 AromaticContact CD2-CE2 3.59Å; F45-Y108 HydrophobicContact CD2-CE2 3.59Å; F45-Y108 HydrophobicContact CD2-CG 4.34Å; F45-Y108 AromaticContact CD2-CZ 3.72Å; F45-Y108 HydrophobicContact CE2-CE1 4.37Å; F45-Y108 HydrophobicContact CG-CE2 4.38Å; F45-Y318 HydrophobicContact CB-CD2 3.99Å; F45-Y318 HydrophobicContact CD2-CD2 4.21Å; F45-Y318 HydrophobicContact CG-CD2 4.02Å; F45-Q319 HydrophobicContact CE2-CG 4.47Å |
| 46 | A | 95.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 165 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | F29 L32 V55 I57 | F29-A46 HydrophobicContact CB-CB 4.29Å; L32-A46 HydrophobicContact CD1-CB 4.02Å; L32-A46 HydrophobicContact CG-CB 4.11Å; A46-V55 HydrophobicContact CB-CG2 4.12Å; A46-V55 PolarHBondContact N-O 3.29Å; A46-V55 PolarHBondContact O-N 3.03Å; A46-I57 HydrophobicContact CB-CD1 3.51Å; A46-I57 HydrophobicContact CB-CG1 4.02Å |
| 47 | R | 94.9 | Very high | 87.9 | Confident | 48 Ų | 48 | 47.2 Ų | 47.2 | 18% | 0.181 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 134.7 | 171.2 | -170.7 | 178.3 | -60 | -80.9 | 2.2 | 109.6 | F29 C30 S49 N52 E53 | F29-R47 WeakPolarHBondContact CA-O 3.28Å; C30-R47 PolarHBondContact N-O 3.09Å; C30-R47 PolarHBondContact O-N 2.94Å; R47-S49 PolarHBondContact O-N 3.45Å; R47-N52 WeakPolarHBondContact CD-OD1 3.32Å; R47-N52 PolarHBondContact NH1-O 2.92Å; R47-E53 WeakPolarHBondContact CA-O 3.33Å |
| 48 | N | 94.6 | Very high | 88.7 | Confident | 26 Ų | 26 | 43 Ų | 43 | 14% | 0.139 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 119.9 | 169.5 | -176.4 | -46.1 | 0 | 0 | 0 | 108.8 | F29 Y50 S51 N52 E53 | F29-N48 HydrophobicContact CD1-CB 4.23Å; F29-N48 HydrophobicContact CE1-CB 4.07Å; N48-Y50 PolarHBondContact O-N 2.82Å; N48-Y50 WeakPolarHBondContact OD1-CB 3.48Å; N48-Y50 WeakPolarHBondContact OD1-CD2 3.42Å; N48-Y50 PolarHBondContact OD1-N 3.48Å; N48-S51 WeakPolarHBondContact CB-OG 3.4Å; N48-S51 PolarHBondContact OD1-N 3.2Å; N48-N52 VanDerWaalsContact O-CA 3.22Å; N48-N52 WeakPolarHBondContact O-CA 3.35Å; N48-N52 PolarHBondContact O-N 3.47Å; N48-E53 PolarHBondContact N-O 2.91Å |
| 49 | S | 93.6 | Very high | 90 | Very high | 52 Ų | 52 | 42.8 Ų | 42.8 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -23.8 | -176.5 | -57.2 | 0 | 0 | 0 | 0 | 113.3 | E27 V28 R47 | E27-S49 PolarHBondContact O-OG 2.92Å; V28-S49 WeakPolarHBondContact O-CB 3.36Å; V28-S49 PolarHBondContact O-N 3.09Å; V28-S49 PolarHBondContact O-OG 2.85Å; R47-S49 PolarHBondContact O-N 3.45Å |
| 50 | Y | 92 | Very high | 91.6 | Very high | 164 Ų | 164 | 39.7 Ų | 39.7 | 64% | 0.643 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -46.5 | -177.6 | -52.8 | -71.5 | 0 | 0 | 0 | 112.8 | V28 N48 | V28-Y50 HydrophobicContact CB-CE2 4.14Å; V28-Y50 HydrophobicContact CG1-CD2 4.25Å; V28-Y50 HydrophobicContact CG1-CE2 4.03Å; V28-Y50 HydrophobicContact CG2-CE2 4.02Å; N48-Y50 PolarHBondContact O-N 2.82Å; N48-Y50 WeakPolarHBondContact OD1-CB 3.48Å; N48-Y50 WeakPolarHBondContact OD1-CD2 3.42Å; N48-Y50 PolarHBondContact OD1-N 3.48Å |
| 51 | S | 92.6 | Very high | 92.8 | Very high | 66 Ų | 66 | 39.9 Ų | 39.9 | 46% | 0.462 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -10 | -175.6 | 64.3 | 0 | 0 | 0 | 0 | 113.9 | N48 E53 | N48-S51 WeakPolarHBondContact CB-OG 3.4Å; N48-S51 PolarHBondContact OD1-N 3.2Å; S51-E53 PolarHBondContact O-N 2.94Å; S51-E53 VanDerWaalsContact O-N 3.08Å; S51-E53 WeakPolarHBondContact OG-CB 3.44Å; S51-E53 PolarHBondContact OG-N 3.44Å |
| 52 | N | 90.6 | Very high | 93.3 | Very high | 107 Ų | 107 | 39.8 Ų | 39.8 | 57% | 0.572 | 21% | 0.205 | S | C | * | . | trans | 56.5 | 10.5 | -166.2 | -79.1 | -37.7 | 0 | 0 | 0 | 114.7 | R47 N48 | R47-N52 WeakPolarHBondContact CD-OD1 3.32Å; R47-N52 PolarHBondContact NH1-O 2.92Å; N48-N52 VanDerWaalsContact O-CA 3.22Å; N48-N52 WeakPolarHBondContact O-CA 3.35Å; N48-N52 PolarHBondContact O-N 3.47Å | ||
| 53 | E | 93.6 | Very high | 93.1 | Very high | 84 Ų | 84 | 44.2 Ų | 44.2 | 39% | 0.393 | 23% | 0.226 | S | C | . | . | trans | -67.5 | 137.5 | 177.2 | -172.7 | -177.1 | -177.8 | 0 | 0 | 110.6 | R47 N48 S51 V55 K93 | R47-E53 WeakPolarHBondContact CA-O 3.33Å; N48-E53 PolarHBondContact N-O 2.91Å; S51-E53 PolarHBondContact O-N 2.94Å; S51-E53 VanDerWaalsContact O-N 3.08Å; S51-E53 WeakPolarHBondContact OG-CB 3.44Å; S51-E53 PolarHBondContact OG-N 3.44Å; E53-V55 HydrophobicContact CG-CG1 4.37Å; E53-K93 WeakPolarHBondContact OE1-CE 3.26Å; E53-K93 IonicContact OE1-NZ 3.82Å; E53-K93 PolarHBondContact OE1-NZ 3.17Å | ||
| 54 | V | 95.1 | Very high | 92.6 | Very high | 28 Ų | 28 | 44.7 Ų | 44.7 | 17% | 0.17 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 129.9 | 174.4 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | F45 Y108 | F45-V54 HydrophobicContact CD2-CG1 3.67Å; F45-V54 HydrophobicContact CE2-CB 4.38Å; F45-V54 HydrophobicContact CE2-CG1 3.17Å; F45-V54 HydrophobicContact CE2-CG2 4.29Å; F45-V54 HydrophobicContact CZ-CG1 3.72Å; F45-V54 HydrophobicContact CZ-CG2 4.14Å; V54-Y108 HydrophobicContact CG1-CD1 3.77Å; V54-Y108 HydrophobicContact CG1-CD2 4.4Å; V54-Y108 HydrophobicContact CG1-CE1 4.49Å; V54-Y108 HydrophobicContact CG1-CG 3.7Å |
| 55 | V | 96.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 160 | -176.6 | -63 | 0 | 0 | 0 | 0 | 111.7 | F29 A46 E53 I57 K93 V105 | F29-V55 HydrophobicContact CD1-CG2 3.79Å; F29-V55 HydrophobicContact CE1-CG2 3.71Å; A46-V55 HydrophobicContact CB-CG2 4.12Å; A46-V55 PolarHBondContact N-O 3.29Å; A46-V55 PolarHBondContact O-N 3.03Å; E53-V55 HydrophobicContact CG-CG1 4.37Å; V55-I57 HydrophobicContact CG2-CD1 4.28Å; V55-I57 HydrophobicContact CG2-CG1 4.04Å; V55-K93 HydrophobicContact CG1-CD 3.96Å; V55-V105 HydrophobicContact CB-CG1 3.85Å; V55-V105 HydrophobicContact CG1-CG1 4.09Å; V55-V105 HydrophobicContact CG2-CG1 3.99Å |
| 56 | A | 96.4 | Very high | 90.7 | Very high | 9 Ų | 9 | 56.6 Ų | 56.6 | 7% | 0.074 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 132.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | I35 V43 Y44 V105 M106 Y108 | I35-A56 HydrophobicContact CD1-CB 4.47Å; V43-A56 HydrophobicContact CG1-CB 4.45Å; Y44-A56 CarbonylContact O-C 3.57Å; Y44-A56 WeakPolarHBondContact O-CA 3.22Å; A56-V105 WeakPolarHBondContact O-CA 3.26Å; A56-M106 PolarHBondContact N-O 3.1Å; A56-M106 PolarHBondContact O-N 3.3Å; A56-Y108 HydrophobicContact CB-CD2 4.44Å |
| 57 | I | 96.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 110.4 | -179.5 | -54.2 | -176.6 | 0 | 0 | 0 | 109.5 | F29 V43 Y44 A46 V55 K59 W103 L104 V105 | F29-I57 HydrophobicContact CB-CD1 3.74Å; F29-I57 HydrophobicContact CD1-CD1 3.83Å; F29-I57 HydrophobicContact CD2-CD1 3.66Å; F29-I57 HydrophobicContact CE1-CD1 4.37Å; F29-I57 HydrophobicContact CE2-CD1 4.22Å; F29-I57 HydrophobicContact CG-CD1 3.45Å; F29-I57 VanDerWaalsContact CG-CD1 3.45Å; V43-I57 CarbonylContact C-O 3.52Å; V43-I57 WeakPolarHBondContact CA-O 3.3Å; Y44-I57 PolarHBondContact N-O 3.08Å; Y44-I57 PolarHBondContact O-N 3.39Å; A46-I57 HydrophobicContact CB-CD1 3.51Å; A46-I57 HydrophobicContact CB-CG1 4.02Å; V55-I57 HydrophobicContact CG2-CD1 4.28Å; V55-I57 HydrophobicContact CG2-CG1 4.04Å; I57-K59 HydrophobicContact CG2-CG 4.13Å; I57-W103 HydrophobicContact CD1-CE3 4.11Å; I57-W103 HydrophobicContact CD1-CZ3 4.39Å; I57-W103 HydrophobicContact CG2-CB 3.9Å; I57-W103 HydrophobicContact CG2-CD2 4.16Å; I57-W103 HydrophobicContact CG2-CE3 3.71Å; I57-W103 HydrophobicContact CG2-CG 4.27Å; I57-L104 CarbonylContact C-O 3.57Å; I57-L104 WeakPolarHBondContact CA-O 3.48Å; I57-V105 HydrophobicContact CG1-CG1 4.46Å; I57-V105 HydrophobicContact CG1-CG2 4.33Å |
| 58 | K | 94.8 | Very high | 89.4 | Confident | 20 Ų | 20 | 61.4 Ų | 61.4 | 9% | 0.087 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 107.7 | 170.7 | -175.6 | -177.3 | -170.2 | -174.9 | 0 | 108.6 | V43 M60 E77 L104 M106 D170 | V43-K58 HydrophobicContact CG2-CB 4.16Å; V43-K58 HydrophobicContact CG2-CG 4.06Å; K58-M60 HydrophobicContact CD-CG 4.34Å; K58-M60 HydrophobicContact CD-SD 3.98Å; K58-M60 HydrophobicContact CG-CG 3.95Å; K58-M60 HydrophobicContact CG-SD 4.22Å; K58-E77 IonicContact NZ-OE1 2.68Å; K58-E77 PolarHBondContact NZ-OE1 2.99Å; K58-E77 IonicContact NZ-OE2 2.91Å; K58-E77 PolarHBondContact NZ-OE2 2.98Å; K58-L104 HydrophobicContact CB-CB 4.25Å; K58-L104 HydrophobicContact CB-CD2 4.32Å; K58-L104 HydrophobicContact CD-CD2 4.09Å; K58-L104 PolarHBondContact N-O 3.25Å; K58-L104 PolarHBondContact O-N 2.97Å; K58-M106 HydrophobicContact CB-CE 3.98Å; K58-D170 IonicContact NZ-OD1 3.05Å; K58-D170 PolarHBondContact NZ-OD1 2.87Å |
| 59 | K | 93.8 | Very high | 88.6 | Confident | 42 Ų | 42 | 63.9 Ų | 63.9 | 18% | 0.183 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 118.9 | 176.3 | -66.4 | -167.3 | -172 | -172.2 | 0 | 109.9 | G41 A42 Y44 I57 T101 A102 W103 | G41-K59 WeakPolarHBondContact CA-O 3.44Å; A42-K59 PolarHBondContact N-O 2.88Å; A42-K59 PolarHBondContact O-N 3.38Å; Y44-K59 HydrophobicContact CD2-CD 4.04Å; Y44-K59 HydrophobicContact CD2-CG 3.95Å; Y44-K59 HydrophobicContact CE2-CB 4.18Å; Y44-K59 HydrophobicContact CE2-CD 3.76Å; Y44-K59 HydrophobicContact CE2-CG 3.94Å; I57-K59 HydrophobicContact CG2-CG 4.13Å; K59-T101 HydrophobicContact CB-CG2 3.98Å; K59-A102 CarbonylContact C-O 3.55Å; K59-A102 WeakPolarHBondContact CA-O 3.37Å; K59-W103 HydrophobicContact CD-CD2 4.07Å; K59-W103 HydrophobicContact CD-CZ2 4.04Å; K59-W103 VanDerWaalsContact CE-CE2 3.44Å; K59-W103 VanDerWaalsContact CE-CZ3 3.5Å; K59-W103 HydrophobicContact CG-CD2 4.03Å; K59-W103 HydrophobicContact CG-CG 4.16Å |
| 60 | M | 92.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 108.3 | -175.9 | -59.8 | 177.8 | -72.8 | 0 | 0 | 111 | F40 K58 I74 T101 A102 L104 | F40-M60 HydrophobicContact CB-CB 4.36Å; F40-M60 HydrophobicContact CB-CG 3.87Å; F40-M60 HydrophobicContact CB-SD 4.21Å; F40-M60 VanDerWaalsContact O-CA 3.29Å; F40-M60 WeakPolarHBondContact O-CA 3.39Å; K58-M60 HydrophobicContact CD-CG 4.34Å; K58-M60 HydrophobicContact CD-SD 3.98Å; K58-M60 HydrophobicContact CG-CG 3.95Å; K58-M60 HydrophobicContact CG-SD 4.22Å; M60-I74 HydrophobicContact CB-CD1 3.77Å; M60-I74 HydrophobicContact CB-CG1 3.83Å; M60-I74 HydrophobicContact CE-CG1 4.14Å; M60-I74 HydrophobicContact CE-CG2 4.14Å; M60-I74 HydrophobicContact SD-CG1 4.07Å; M60-T101 WeakPolarHBondContact O-CA 3.32Å; M60-A102 HydrophobicContact CE-CB 4.4Å; M60-A102 PolarHBondContact N-O 3.49Å; M60-A102 PolarHBondContact O-N 3.12Å; M60-L104 HydrophobicContact CE-CB 3.7Å; M60-L104 HydrophobicContact CE-CD2 4.17Å; M60-L104 HydrophobicContact CE-CG 4.45Å |
| 61 | S | 90.1 | Very high | 88 | Confident | 49 Ų | 49 | 58.4 Ų | 58.4 | 34% | 0.343 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 127.1 | 179.4 | -176.5 | 0 | 0 | 0 | 0 | 110.8 | F40 K70 | F40-S61 PolarHBondContact O-N 3.36Å; S61-K70 WeakPolarHBondContact O-CD 3.25Å |
| 62 | Y | 88.6 | Confident | 87.7 | Confident | 27 Ų | 27 | 60.1 Ų | 60.1 | 11% | 0.106 | 31% | 0.311 | C | S | . | . | trans | -108.7 | 29.8 | 175.4 | 58.7 | -87.1 | 0 | 0 | 0 | 112.1 | T67 W71 I74 L97 N100 | Y62-T67 HydrophobicContact CD2-CG2 4.32Å; Y62-T67 WeakPolarHBondContact O-CA 3.45Å; Y62-T67 WeakPolarHBondContact O-CB 3.21Å; Y62-T67 WeakPolarHBondContact O-CG2 3.14Å; Y62-T67 PolarHBondContact O-OG1 3.18Å; Y62-W71 AromaticContact CD1-CE3 3.71Å; Y62-W71 HydrophobicContact CD1-CE3 3.71Å; Y62-W71 AromaticContact CD1-CZ3 3.88Å; Y62-W71 HydrophobicContact CD1-CZ3 3.88Å; Y62-W71 AromaticContact CD2-CE3 3.88Å; Y62-W71 HydrophobicContact CD2-CE3 3.88Å; Y62-W71 HydrophobicContact CD2-CZ3 4.5Å; Y62-W71 AromaticContact CE1-CE3 3.84Å; Y62-W71 HydrophobicContact CE1-CE3 3.84Å; Y62-W71 AromaticContact CE1-CZ3 3.58Å; Y62-W71 HydrophobicContact CE1-CZ3 3.58Å; Y62-W71 AromaticContact CE2-CE3 3.99Å; Y62-W71 HydrophobicContact CE2-CE3 3.99Å; Y62-W71 HydrophobicContact CE2-CZ3 4.23Å; Y62-W71 AromaticContact CG-CE3 3.73Å; Y62-W71 HydrophobicContact CG-CE3 3.73Å; Y62-W71 HydrophobicContact CG-CZ3 4.33Å; Y62-W71 AromaticContact CZ-CE3 3.96Å; Y62-W71 AromaticContact CZ-CZ3 3.76Å; Y62-I74 HydrophobicContact CD1-CD1 3.82Å; Y62-I74 HydrophobicContact CG-CD1 4.27Å; Y62-L97 HydrophobicContact CE1-CD2 3.68Å; Y62-L97 WeakPolarHBondContact OH-CD2 3.32Å; Y62-N100 WeakPolarHBondContact CD1-O 3.48Å; Y62-N100 WeakPolarHBondContact CE1-O 3.3Å; Y62-N100 HydrophobicContact CE2-CB 4.14Å; Y62-N100 VanDerWaalsContact CZ-CA 3.44Å; Y62-N100 PolarHBondContact N-O 2.81Å; Y62-N100 VanDerWaalsContact N-O 3.09Å | ||
| 63 | N | 83.3 | Confident | 87.4 | Confident | 107 Ų | 107 | 57.4 Ų | 57.4 | 57% | 0.572 | 30% | 0.296 | S | S | * | . | trans | -87.2 | 160 | 175.7 | -159.1 | 8 | 0 | 0 | 0 | 112.2 | N100 | N63-N100 HydrophobicContact CB-CB 4.46Š| ||
| 64 | G | 79.9 | Confident | 87.2 | Confident | 44 Ų | 44 | 53.5 Ų | 53.5 | 45% | 0.454 | 28% | 0.278 | S | S | . | . | S | Bend | trans | 95.5 | -166 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q66 T67 | G64-Q66 PolarHBondContact O-N 2.85Å; G64-Q66 VanDerWaalsContact O-N 3.14Å; G64-T67 PolarHBondContact N-OG1 3.49Å; G64-T67 WeakPolarHBondContact O-CB 3.36Å; G64-T67 PolarHBondContact O-N 2.88Å; G64-T67 PolarHBondContact O-OG1 2.95Å |
| 65 | K | 73.7 | Confident | 87 | Confident | 226 Ų | 226 | 52.9 Ų | 52.9 | 98% | 0.983 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -21.9 | -171.7 | -66.9 | -177 | -178.8 | 177.6 | 0 | 114.5 | ||
| 66 | Q | 77.1 | Confident | 86.6 | Confident | 86 Ų | 86 | 58.6 Ų | 58.6 | 40% | 0.402 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 23.4 | -179.7 | -66.5 | 173.8 | -1.5 | 0 | 0 | 113 | G64 T68 E69 K70 | G64-Q66 PolarHBondContact O-N 2.85Å; G64-Q66 VanDerWaalsContact O-N 3.14Å; Q66-T68 VanDerWaalsContact C-N 3.29Å; Q66-T68 PolarHBondContact O-N 3.29Å; Q66-E69 PolarHBondContact O-N 3.41Å; Q66-K70 HydrophobicContact CB-CG 4.48Å; Q66-K70 PolarHBondContact O-N 2.84Å; Q66-K70 VanDerWaalsContact O-N 3.07Å |
| 67 | T | 82.6 | Confident | 86.4 | Confident | 49 Ų | 49 | 58.3 Ų | 58.3 | 30% | 0.301 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -48.6 | -47.3 | -176.6 | -68.3 | 0 | 0 | 0 | 0 | 112.8 | Y62 G64 W71 | Y62-T67 HydrophobicContact CD2-CG2 4.32Å; Y62-T67 WeakPolarHBondContact O-CA 3.45Å; Y62-T67 WeakPolarHBondContact O-CB 3.21Å; Y62-T67 WeakPolarHBondContact O-CG2 3.14Å; Y62-T67 PolarHBondContact O-OG1 3.18Å; G64-T67 PolarHBondContact N-OG1 3.49Å; G64-T67 WeakPolarHBondContact O-CB 3.36Å; G64-T67 PolarHBondContact O-N 2.88Å; G64-T67 PolarHBondContact O-OG1 2.95Å; T67-W71 WeakPolarHBondContact O-CB 3.05Å; T67-W71 PolarHBondContact O-N 2.94Å |
| 68 | T | 78.9 | Confident | 86.2 | Confident | 100 Ų | 100 | 58.5 Ų | 58.5 | 61% | 0.613 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.3 | -43.4 | -176.4 | -48 | 0 | 0 | 0 | 0 | 113.1 | Q66 Q72 | Q66-T68 VanDerWaalsContact C-N 3.29Å; Q66-T68 PolarHBondContact O-N 3.29Å; T68-Q72 WeakPolarHBondContact O-CG 3.31Å; T68-Q72 PolarHBondContact O-N 3.38Å; T68-Q72 VanDerWaalsContact O-N 3.08Å |
| 69 | E | 79.3 | Confident | 86 | Confident | 79 Ų | 79 | 62 Ų | 62 | 37% | 0.369 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.5 | -48.2 | 179.2 | -69.7 | -176.3 | 150.1 | 0 | 0 | 110.7 | Q66 W71 Q72 D73 | Q66-E69 PolarHBondContact O-N 3.41Å; E69-W71 VanDerWaalsContact C-N 3.29Å; E69-W71 PolarHBondContact O-N 2.9Å; E69-Q72 PolarHBondContact O-N 3.18Å; E69-Q72 VanDerWaalsContact O-N 3.15Å; E69-D73 PolarHBondContact O-N 2.85Å |
| 70 | K | 83.8 | Confident | 86 | Confident | 58 Ų | 58 | 60.1 Ų | 60.1 | 25% | 0.252 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.9 | -41 | 177.2 | -69.5 | -171.7 | 176 | -172.2 | 0 | 112.2 | S61 Q66 D73 I74 | S61-K70 WeakPolarHBondContact O-CD 3.25Å; Q66-K70 HydrophobicContact CB-CG 4.48Å; Q66-K70 PolarHBondContact O-N 2.84Å; Q66-K70 VanDerWaalsContact O-N 3.07Å; K70-D73 PolarHBondContact O-N 2.88Å; K70-I74 VanDerWaalsContact O-CG1 3.3Å; K70-I74 WeakPolarHBondContact O-CG1 3.39Å; K70-I74 PolarHBondContact O-N 3.29Å |
| 71 | W | 88.9 | Confident | 86.1 | Confident | 43 Ų | 43 | 60.1 Ų | 60.1 | 16% | 0.163 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 176.8 | -177 | -115 | 0 | 0 | 0 | 112.1 | T11 L16 F20 Y62 T67 E69 D73 I74 I75 L97 | T11-W71 HydrophobicContact CG2-CH2 4.49Å; T11-W71 HydrophobicContact CG2-CZ2 3.84Å; L16-W71 HydrophobicContact CD2-CZ2 3.66Å; F20-W71 HydrophobicContact CE1-CH2 4.33Å; F20-W71 AromaticContact CE2-CH2 3.65Å; F20-W71 HydrophobicContact CE2-CH2 3.65Å; F20-W71 HydrophobicContact CE2-CZ2 4.04Å; F20-W71 AromaticContact CZ-CH2 3.43Å; F20-W71 HydrophobicContact CZ-CH2 3.43Å; F20-W71 VanDerWaalsContact CZ-CH2 3.43Å; F20-W71 HydrophobicContact CZ-CZ2 4.13Å; F20-W71 HydrophobicContact CZ-CZ3 4.08Å; Y62-W71 AromaticContact CD1-CE3 3.71Å; Y62-W71 HydrophobicContact CD1-CE3 3.71Å; Y62-W71 AromaticContact CD1-CZ3 3.88Å; Y62-W71 HydrophobicContact CD1-CZ3 3.88Å; Y62-W71 AromaticContact CD2-CE3 3.88Å; Y62-W71 HydrophobicContact CD2-CE3 3.88Å; Y62-W71 HydrophobicContact CD2-CZ3 4.5Å; Y62-W71 AromaticContact CE1-CE3 3.84Å; Y62-W71 HydrophobicContact CE1-CE3 3.84Å; Y62-W71 AromaticContact CE1-CZ3 3.58Å; Y62-W71 HydrophobicContact CE1-CZ3 3.58Å; Y62-W71 AromaticContact CE2-CE3 3.99Å; Y62-W71 HydrophobicContact CE2-CE3 3.99Å; Y62-W71 HydrophobicContact CE2-CZ3 4.23Å; Y62-W71 AromaticContact CG-CE3 3.73Å; Y62-W71 HydrophobicContact CG-CE3 3.73Å; Y62-W71 HydrophobicContact CG-CZ3 4.33Å; Y62-W71 AromaticContact CZ-CE3 3.96Å; Y62-W71 AromaticContact CZ-CZ3 3.76Å; T67-W71 WeakPolarHBondContact O-CB 3.05Å; T67-W71 PolarHBondContact O-N 2.94Å; E69-W71 VanDerWaalsContact C-N 3.29Å; E69-W71 PolarHBondContact O-N 2.9Å; W71-D73 VanDerWaalsContact C-N 3.31Å; W71-D73 PolarHBondContact O-N 2.98Å; W71-I74 HydrophobicContact CE3-CD1 4.37Å; W71-I74 HydrophobicContact CZ3-CG2 4.41Å; W71-I74 PolarHBondContact O-N 2.98Å; W71-I75 HydrophobicContact CD2-CG1 4.29Å; W71-I75 HydrophobicContact CH2-CD1 4.17Å; W71-I75 HydrophobicContact CZ2-CD1 3.72Å; W71-I75 HydrophobicContact CZ2-CG1 4.09Å; W71-I75 VanDerWaalsContact O-CG1 3.3Å; W71-I75 WeakPolarHBondContact O-CG1 3.44Å; W71-I75 PolarHBondContact O-N 2.74Å; W71-L97 HydrophobicContact CH2-CD1 4.02Å; W71-L97 HydrophobicContact CH2-CD2 4.03Å; W71-L97 HydrophobicContact CZ3-CD2 3.92Å |
| 72 | Q | 86.3 | Confident | 86.2 | Confident | 101 Ų | 101 | 59.8 Ų | 59.8 | 47% | 0.472 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62 | -38.9 | 175.7 | -74.7 | 178.8 | -4.4 | 0 | 0 | 112.3 | T68 E69 I75 K76 | T68-Q72 WeakPolarHBondContact O-CG 3.31Å; T68-Q72 PolarHBondContact O-N 3.38Å; T68-Q72 VanDerWaalsContact O-N 3.08Å; E69-Q72 PolarHBondContact O-N 3.18Å; E69-Q72 VanDerWaalsContact O-N 3.15Å; Q72-I75 PolarHBondContact O-N 3.25Å; Q72-K76 VanDerWaalsContact O-CG 3.25Å; Q72-K76 WeakPolarHBondContact O-CG 3.38Å; Q72-K76 PolarHBondContact O-N 3.46Å |
| 73 | D | 84.4 | Confident | 86.5 | Confident | 51 Ų | 51 | 63.4 Ų | 63.4 | 27% | 0.273 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.9 | -40.1 | 178.4 | -68.6 | -16.4 | 0 | 0 | 0 | 111.9 | F40 E69 K70 W71 I75 K76 E77 | F40-D73 HydrophobicContact CE1-CB 3.64Å; F40-D73 HydrophobicContact CZ-CB 3.93Å; E69-D73 PolarHBondContact O-N 2.85Å; K70-D73 PolarHBondContact O-N 2.88Å; W71-D73 VanDerWaalsContact C-N 3.31Å; W71-D73 PolarHBondContact O-N 2.98Å; D73-I75 PolarHBondContact O-N 3.44Å; D73-K76 PolarHBondContact O-N 2.93Å; D73-K76 IonicContact OD1-NZ 2.76Å; D73-K76 PolarHBondContact OD1-NZ 2.91Å; D73-E77 PolarHBondContact O-N 3.24Å |
| 74 | I | 89.9 | Confident | 87.1 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58 | -49.2 | 171.8 | -69.9 | 166.3 | 0 | 0 | 0 | 110.7 | M60 Y62 K70 W71 K76 E77 V78 A102 | M60-I74 HydrophobicContact CB-CD1 3.77Å; M60-I74 HydrophobicContact CB-CG1 3.83Å; M60-I74 HydrophobicContact CE-CG1 4.14Å; M60-I74 HydrophobicContact CE-CG2 4.14Å; M60-I74 HydrophobicContact SD-CG1 4.07Å; Y62-I74 HydrophobicContact CD1-CD1 3.82Å; Y62-I74 HydrophobicContact CG-CD1 4.27Å; K70-I74 VanDerWaalsContact O-CG1 3.3Å; K70-I74 WeakPolarHBondContact O-CG1 3.39Å; K70-I74 PolarHBondContact O-N 3.29Å; W71-I74 HydrophobicContact CE3-CD1 4.37Å; W71-I74 HydrophobicContact CZ3-CG2 4.41Å; W71-I74 PolarHBondContact O-N 2.98Å; I74-K76 VanDerWaalsContact C-N 3.33Å; I74-K76 PolarHBondContact O-N 3.4Å; I74-E77 PolarHBondContact O-N 3.42Å; I74-V78 HydrophobicContact CG2-CG2 4.31Å; I74-V78 VanDerWaalsContact O-CG2 3.31Å; I74-V78 WeakPolarHBondContact O-CG2 3.32Å; I74-V78 PolarHBondContact O-N 2.97Å; I74-A102 HydrophobicContact CD1-CB 4.15Å; I74-A102 HydrophobicContact CG2-CB 3.67Å |
| 75 | I | 90.8 | Very high | 87.8 | Confident | 16 Ų | 16 | 67.4 Ų | 67.4 | 8% | 0.082 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.6 | -40.9 | -179.1 | -67.8 | -66.9 | 0 | 0 | 0 | 111.4 | L16 L19 F20 W71 Q72 D73 K79 | L16-I75 HydrophobicContact CD1-CD1 4.01Å; L16-I75 HydrophobicContact CD1-CG1 4.39Å; L16-I75 HydrophobicContact CD1-CG2 4.17Å; L16-I75 HydrophobicContact CD2-CD1 3.95Å; L16-I75 HydrophobicContact CD2-CG1 4.35Å; L16-I75 HydrophobicContact CG-CD1 3.75Å; L16-I75 HydrophobicContact CG-CG1 4.47Å; L19-I75 HydrophobicContact CD1-CD1 3.81Å; L19-I75 HydrophobicContact CD1-CG2 4.17Å; F20-I75 HydrophobicContact CE2-CD1 3.69Å; F20-I75 HydrophobicContact CZ-CD1 3.61Å; W71-I75 HydrophobicContact CD2-CG1 4.29Å; W71-I75 HydrophobicContact CH2-CD1 4.17Å; W71-I75 HydrophobicContact CZ2-CD1 3.72Å; W71-I75 HydrophobicContact CZ2-CG1 4.09Å; W71-I75 VanDerWaalsContact O-CG1 3.3Å; W71-I75 WeakPolarHBondContact O-CG1 3.44Å; W71-I75 PolarHBondContact O-N 2.74Å; Q72-I75 PolarHBondContact O-N 3.25Å; D73-I75 PolarHBondContact O-N 3.44Å; I75-K79 HydrophobicContact CG2-CD 4.06Å; I75-K79 HydrophobicContact CG2-CG 4.38Å; I75-K79 WeakPolarHBondContact O-CB 3.34Å; I75-K79 VanDerWaalsContact O-CG 3.32Å; I75-K79 WeakPolarHBondContact O-CG 3.37Å; I75-K79 PolarHBondContact O-N 3.3Å |
| 76 | K | 88.1 | Confident | 89 | Confident | 121 Ų | 121 | 59 Ų | 59 | 53% | 0.526 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 175.3 | -73.7 | 168.9 | -164.9 | 159.6 | 0 | 111.2 | Q72 D73 I74 K79 F80 | Q72-K76 VanDerWaalsContact O-CG 3.25Å; Q72-K76 WeakPolarHBondContact O-CG 3.38Å; Q72-K76 PolarHBondContact O-N 3.46Å; D73-K76 PolarHBondContact O-N 2.93Å; D73-K76 IonicContact OD1-NZ 2.76Å; D73-K76 PolarHBondContact OD1-NZ 2.91Å; I74-K76 VanDerWaalsContact C-N 3.33Å; I74-K76 PolarHBondContact O-N 3.4Å; K76-K79 PolarHBondContact O-N 2.93Å; K76-F80 VanDerWaalsContact O-CB 3.31Å; K76-F80 WeakPolarHBondContact O-CB 3.37Å; K76-F80 PolarHBondContact O-N 2.82Å |
| 77 | E | 90.8 | Very high | 90 | Very high | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.019 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.3 | -45.4 | -179.5 | -171.7 | 170 | -177.3 | 0 | 0 | 111.4 | K58 D73 I74 F80 L81 L104 | K58-E77 IonicContact NZ-OE1 2.68Å; K58-E77 PolarHBondContact NZ-OE1 2.99Å; K58-E77 IonicContact NZ-OE2 2.91Å; K58-E77 PolarHBondContact NZ-OE2 2.98Å; D73-E77 PolarHBondContact O-N 3.24Å; I74-E77 PolarHBondContact O-N 3.42Å; E77-F80 PolarHBondContact O-N 2.9Å; E77-L81 HydrophobicContact CG-CD1 4Å; E77-L81 WeakPolarHBondContact O-CB 3.27Å; E77-L81 WeakPolarHBondContact O-CG 3.41Å; E77-L81 PolarHBondContact O-N 3.41Å; E77-L104 HydrophobicContact CG-CD2 4.41Å |
| 78 | V | 92.9 | Very high | 90.7 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 176.6 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | L19 I74 F80 L81 G82 C95 L104 | L19-V78 HydrophobicContact CB-CG1 4.17Å; L19-V78 HydrophobicContact CD2-CG1 4.47Å; I74-V78 HydrophobicContact CG2-CG2 4.31Å; I74-V78 VanDerWaalsContact O-CG2 3.31Å; I74-V78 WeakPolarHBondContact O-CG2 3.32Å; I74-V78 PolarHBondContact O-N 2.97Å; V78-F80 VanDerWaalsContact C-N 3.31Å; V78-F80 PolarHBondContact O-N 3.46Å; V78-L81 PolarHBondContact O-N 3.12Å; V78-G82 PolarHBondContact O-N 2.81Å; V78-C95 HydrophobicContact CG1-CB 4.3Å; V78-C95 HydrophobicContact CG2-CB 4.03Å; V78-L104 HydrophobicContact CG2-CD1 3.89Å |
| 79 | K | 91.7 | Very high | 91.6 | Very high | 93 Ų | 93 | 52.1 Ų | 52.1 | 40% | 0.404 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.1 | -35.8 | 177.9 | -76.3 | -174.5 | 177.6 | -168.2 | 0 | 112.6 | L19 I75 K76 Q83 | L19-K79 HydrophobicContact CD1-CG 4.06Å; L19-K79 HydrophobicContact CD2-CG 3.99Å; I75-K79 HydrophobicContact CG2-CD 4.06Å; I75-K79 HydrophobicContact CG2-CG 4.38Å; I75-K79 WeakPolarHBondContact O-CB 3.34Å; I75-K79 VanDerWaalsContact O-CG 3.32Å; I75-K79 WeakPolarHBondContact O-CG 3.37Å; I75-K79 PolarHBondContact O-N 3.3Å; K76-K79 PolarHBondContact O-N 2.93Å; K79-Q83 WeakPolarHBondContact O-CG 3.49Å; K79-Q83 PolarHBondContact O-NE2 3.29Å |
| 80 | F | 93.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.9 | -53.6 | 176.9 | -170.2 | -81.7 | 0 | 0 | 0 | 110.3 | K76 E77 V78 G82 Q83 L84 L143 M148 F171 A174 I176 | K76-F80 VanDerWaalsContact O-CB 3.31Å; K76-F80 WeakPolarHBondContact O-CB 3.37Å; K76-F80 PolarHBondContact O-N 2.82Å; E77-F80 PolarHBondContact O-N 2.9Å; V78-F80 VanDerWaalsContact C-N 3.31Å; V78-F80 PolarHBondContact O-N 3.46Å; F80-G82 VanDerWaalsContact C-N 3.31Å; F80-G82 PolarHBondContact O-N 3.48Å; F80-Q83 PolarHBondContact O-N 3.41Å; F80-Q83 VanDerWaalsContact O-N 3.1Å; F80-L84 HydrophobicContact CD1-CD1 4Å; F80-L84 HydrophobicContact CD1-CD2 4.19Å; F80-L84 HydrophobicContact CD1-CG 4.22Å; F80-L84 HydrophobicContact CE1-CD1 3.79Å; F80-L84 HydrophobicContact CE1-CD2 3.73Å; F80-L84 HydrophobicContact CE1-CG 4.13Å; F80-L84 HydrophobicContact CZ-CD2 4.35Å; F80-L143 HydrophobicContact CE1-CD2 4.26Å; F80-L143 HydrophobicContact CZ-CD2 4.11Å; F80-M148 HydrophobicContact CD2-SD 4.41Å; F80-M148 HydrophobicContact CE1-SD 4.39Å; F80-M148 HydrophobicContact CE2-CB 4.01Å; F80-M148 HydrophobicContact CE2-CG 4.12Å; F80-M148 HydrophobicContact CE2-SD 3.72Å; F80-M148 HydrophobicContact CZ-CB 3.99Å; F80-M148 HydrophobicContact CZ-CG 4.34Å; F80-M148 HydrophobicContact CZ-SD 3.72Å; F80-F171 HydrophobicContact CD1-CB 3.6Å; F80-F171 AromaticContact CD1-CD1 3.75Å; F80-F171 HydrophobicContact CD1-CD1 3.75Å; F80-F171 AromaticContact CD1-CG 3.7Å; F80-F171 HydrophobicContact CD1-CG 3.7Å; F80-F171 HydrophobicContact CE1-CB 3.94Å; F80-F171 AromaticContact CE1-CD1 3.16Å; F80-F171 HydrophobicContact CE1-CD1 3.16Å; F80-F171 AromaticContact CE1-CE1 3.74Å; F80-F171 HydrophobicContact CE1-CE1 3.74Å; F80-F171 AromaticContact CE1-CG 3.64Å; F80-F171 HydrophobicContact CE1-CG 3.64Å; F80-F171 HydrophobicContact CG-CB 4.34Å; F80-F171 AromaticContact CZ-CD1 3.97Å; F80-F171 HydrophobicContact CZ-CD1 3.97Å; F80-F171 HydrophobicContact CZ-CE1 4.5Å; F80-A174 HydrophobicContact CD1-CB 4.15Å; F80-A174 HydrophobicContact CD2-CB 3.7Å; F80-A174 HydrophobicContact CE1-CB 3.89Å; F80-A174 HydrophobicContact CE2-CB 3.43Å; F80-A174 VanDerWaalsContact CE2-CB 3.43Å; F80-A174 HydrophobicContact CG-CB 4.07Å; F80-A174 HydrophobicContact CZ-CB 3.53Å; F80-I176 HydrophobicContact CD2-CG2 3.62Å; F80-I176 HydrophobicContact CE2-CG2 4.25Å |
| 81 | L | 94 | Very high | 93.1 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.2 | -37.8 | -179.9 | -81.5 | 170.5 | 0 | 0 | 0 | 113 | E77 V78 Q83 L84 I90 Y92 L104 M106 F171 | E77-L81 HydrophobicContact CG-CD1 4Å; E77-L81 WeakPolarHBondContact O-CB 3.27Å; E77-L81 WeakPolarHBondContact O-CG 3.41Å; E77-L81 PolarHBondContact O-N 3.41Å; V78-L81 PolarHBondContact O-N 3.12Å; L81-Q83 PolarHBondContact O-N 2.87Å; L81-Q83 VanDerWaalsContact O-N 3.12Å; L81-L84 HydrophobicContact CD2-CD1 4.04Å; L81-L84 PolarHBondContact O-N 3.03Å; L81-L84 VanDerWaalsContact O-N 3.1Å; L81-I90 HydrophobicContact CD2-CG2 3.91Å; L81-Y92 HydrophobicContact CB-CD2 3.99Å; L81-Y92 HydrophobicContact CB-CG 3.93Å; L81-Y92 HydrophobicContact CD1-CD2 4.39Å; L81-L104 HydrophobicContact CD1-CD1 3.8Å; L81-L104 HydrophobicContact CD1-CD2 3.55Å; L81-L104 HydrophobicContact CD1-CG 4.11Å; L81-M106 HydrophobicContact CD1-SD 4.5Å; L81-F171 HydrophobicContact CD2-CD2 3.47Å; L81-F171 VanDerWaalsContact CD2-CD2 3.47Å; L81-F171 HydrophobicContact CD2-CE2 3.93Å; L81-F171 HydrophobicContact CD2-CG 4.38Å; L81-F171 HydrophobicContact CG-CD2 4.23Å |
| 82 | G | 92.8 | Very high | 93.5 | Very high | 41 Ų | 41 | 51.1 Ų | 51.1 | 42% | 0.423 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V78 F80 | V78-G82 PolarHBondContact O-N 2.81Å; F80-G82 VanDerWaalsContact C-N 3.31Å; F80-G82 PolarHBondContact O-N 3.48Å |
| 83 | Q | 93.3 | Very high | 94 | Very high | 104 Ų | 104 | 49 Ų | 49 | 49% | 0.486 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -13.3 | 178.4 | -66.9 | 172.2 | 57.6 | 0 | 0 | 113.2 | K79 F80 L81 | K79-Q83 WeakPolarHBondContact O-CG 3.49Å; K79-Q83 PolarHBondContact O-NE2 3.29Å; F80-Q83 PolarHBondContact O-N 3.41Å; F80-Q83 VanDerWaalsContact O-N 3.1Å; L81-Q83 PolarHBondContact O-N 2.87Å; L81-Q83 VanDerWaalsContact O-N 3.12Å |
| 84 | L | 96.1 | Very high | 94.5 | Very high | 16 Ų | 16 | 46.6 Ų | 46.6 | 8% | 0.084 | 22% | 0.221 | C | C | . | . | trans | -82.7 | 129.3 | -173.1 | -55.2 | -173.2 | 0 | 0 | 0 | 111.7 | F80 L81 T89 Y142 L143 M148 F171 | F80-L84 HydrophobicContact CD1-CD1 4Å; F80-L84 HydrophobicContact CD1-CD2 4.19Å; F80-L84 HydrophobicContact CD1-CG 4.22Å; F80-L84 HydrophobicContact CE1-CD1 3.79Å; F80-L84 HydrophobicContact CE1-CD2 3.73Å; F80-L84 HydrophobicContact CE1-CG 4.13Å; F80-L84 HydrophobicContact CZ-CD2 4.35Å; L81-L84 HydrophobicContact CD2-CD1 4.04Å; L81-L84 PolarHBondContact O-N 3.03Å; L81-L84 VanDerWaalsContact O-N 3.1Å; L84-T89 HydrophobicContact CD1-CG2 4.4Å; L84-Y142 HydrophobicContact CD2-CE1 4.18Å; L84-L143 HydrophobicContact CD2-CD2 3.65Å; L84-M148 HydrophobicContact CD2-CE 4.15Å; L84-M148 HydrophobicContact CD2-SD 3.98Å; L84-F171 HydrophobicContact CD1-CD1 4.35Å; L84-F171 HydrophobicContact CD1-CD2 4.03Å; L84-F171 HydrophobicContact CD1-CE1 3.98Å; L84-F171 HydrophobicContact CD1-CE2 3.65Å; L84-F171 HydrophobicContact CD1-CG 4.35Å; L84-F171 HydrophobicContact CD1-CZ 3.61Å | ||
| 85 | R | 95.9 | Very high | 94.8 | Very high | 218 Ų | 218 | 46.6 Ų | 46.6 | 82% | 0.823 | 22% | 0.221 | S | C | * | . | trans | -142.8 | 81.7 | 173.2 | -63.3 | -172.2 | -176.8 | -164.2 | 0.3 | 109.9 | Y142 | R85-Y142 PolarHBondContact N-OH 3.14Š| ||
| 86 | H | 98.1 | Very high | 95.1 | Very high | 49 Ų | 49 | 47 Ų | 47 | 23% | 0.227 | 22% | 0.222 | C | C | . | . | trans | -150.4 | 142.7 | 178.4 | -171.7 | -99.1 | 0 | 0 | 0 | 112.2 | N88 T89 Y142 | H86-N88 PolarHBondContact CE1-OD1 2.92Å; H86-N88 PolarHBondContact ND1-N 3.18Å; H86-N88 PolarHBondContact O-N 3.23Å; H86-N88 VanDerWaalsContact O-N 3.14Å; H86-T89 HydrophobicContact CB-CG2 4.21Å; H86-T89 PolarHBondContact N-OG1 3.44Å; H86-T89 PolarHBondContact O-N 2.86Å; H86-T89 VanDerWaalsContact O-N 3.13Å; H86-T89 PolarHBondContact O-OG1 2.95Å; H86-Y142 HydrophobicContact CB-CD1 3.52Å; H86-Y142 HydrophobicContact CB-CD2 3.9Å; H86-Y142 HydrophobicContact CB-CE1 3.73Å; H86-Y142 HydrophobicContact CB-CE2 4.09Å; H86-Y142 HydrophobicContact CB-CG 3.6Å; H86-Y142 AromaticContact CD2-CD2 3.76Å; H86-Y142 AromaticContact CD2-CG 3.72Å; H86-Y142 AromaticContact CG-CD1 3.97Å; H86-Y142 AromaticContact CG-CD2 4Å; H86-Y142 AromaticContact CG-CG 3.62Å | ||
| 87 | P | 97.7 | Very high | 95.4 | Very high | 70 Ų | 70 | 43.1 Ų | 43.1 | 46% | 0.455 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -25.9 | -178.8 | -24.7 | 34.2 | 0 | 0 | 0 | 114.6 | Q165 K167 | P87-Q165 VanDerWaalsContact CB-NE2 3.29Å; P87-Q165 PolarHBondContact O-NE2 3.38Å; P87-K167 WeakPolarHBondContact O-CD 3.46Å; P87-K167 WeakPolarHBondContact O-CE 3.29Å; P87-K167 PolarHBondContact O-NZ 3.27Å |
| 88 | N | 98.5 | Very high | 95.4 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 10% | 0.096 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 16.4 | 178.8 | -57.9 | 104.6 | 0 | 0 | 0 | 114.7 | H86 G135 L138 V166 L168 | H86-N88 PolarHBondContact CE1-OD1 2.92Å; H86-N88 PolarHBondContact ND1-N 3.18Å; H86-N88 PolarHBondContact O-N 3.23Å; H86-N88 VanDerWaalsContact O-N 3.14Å; N88-G135 VanDerWaalsContact CB-O 3.24Å; N88-G135 WeakPolarHBondContact CB-O 3.4Å; N88-G135 VanDerWaalsContact CG-O 3.32Å; N88-L138 HydrophobicContact CB-CB 4.44Å; N88-L138 WeakPolarHBondContact OD1-CB 3.37Å; N88-V166 WeakPolarHBondContact CA-O 3.34Å; N88-V166 PolarHBondContact ND2-O 3.38Å; N88-L168 PolarHBondContact O-N 3.26Å |
| 89 | T | 98.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -115.8 | 145.7 | 166.2 | 54.2 | 0 | 0 | 0 | 0 | 108.5 | L84 H86 E91 Y142 L143 F171 | L84-T89 HydrophobicContact CD1-CG2 4.4Å; H86-T89 HydrophobicContact CB-CG2 4.21Å; H86-T89 PolarHBondContact N-OG1 3.44Å; H86-T89 PolarHBondContact O-N 2.86Å; H86-T89 VanDerWaalsContact O-N 3.13Å; H86-T89 PolarHBondContact O-OG1 2.95Å; T89-E91 PolarHBondContact O-N 3.27Å; T89-Y142 HydrophobicContact CG2-CD1 4.13Å; T89-Y142 HydrophobicContact CG2-CE1 4.47Å; T89-L143 HydrophobicContact CG2-CD2 4.45Å; T89-F171 HydrophobicContact CG2-CZ 4.32Å |
| 90 | I | 96.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -58.5 | 130.3 | 178.4 | -158.5 | 69.5 | 0 | 0 | 0 | 110.6 | L81 Y92 M106 E107 C109 L159 K167 L168 A169 F171 | L81-I90 HydrophobicContact CD2-CG2 3.91Å; I90-Y92 PolarHBondContact O-N 3.48Å; I90-M106 HydrophobicContact CG1-CB 4.07Å; I90-M106 HydrophobicContact CG1-SD 4.29Å; I90-M106 HydrophobicContact CG2-SD 3.96Å; I90-E107 HydrophobicContact CD1-CG 3.41Å; I90-E107 VanDerWaalsContact CD1-CG 3.41Å; I90-E107 HydrophobicContact CG1-CG 3.96Å; I90-C109 VanDerWaalsContact CD1-SG 3.57Å; I90-L159 HydrophobicContact CD1-CD1 4.14Å; I90-K167 HydrophobicContact CD1-CB 4.18Å; I90-K167 HydrophobicContact CD1-CG 4.41Å; I90-L168 PolarHBondContact N-O 2.99Å; I90-A169 HydrophobicContact CB-CB 4.28Å; I90-A169 HydrophobicContact CG2-CB 4.45Å; I90-F171 HydrophobicContact CG2-CD2 4.43Å; I90-F171 HydrophobicContact CG2-CE2 3.93Å |
| 91 | E | 97.3 | Very high | 95 | Very high | 98 Ų | 98 | 51.8 Ų | 51.8 | 46% | 0.458 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 121.1 | 179.1 | -173.1 | -170.7 | -167.7 | 0 | 0 | 110 | T89 K93 M106 E107 | T89-E91 PolarHBondContact O-N 3.27Å; E91-K93 IonicContact OE1-NZ 2.95Å; E91-K93 WeakPolarHBondContact OE2-CE 3.41Å; E91-K93 IonicContact OE2-NZ 2.94Å; E91-K93 PolarHBondContact OE2-NZ 3.49Å; E91-M106 CarbonylContact O-C 3.58Å; E91-M106 WeakPolarHBondContact O-CA 3.48Å; E91-E107 HydrophobicContact CB-CB 4Å; E91-E107 HydrophobicContact CB-CG 3.87Å; E91-E107 WeakPolarHBondContact CB-OE1 3.42Å; E91-E107 PolarHBondContact N-OE1 3.29Å; E91-E107 PolarHBondContact O-N 3.36Å |
| 92 | Y | 97.1 | Very high | 95.1 | Very high | 58 Ų | 58 | 51.7 Ų | 51.7 | 23% | 0.227 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 125.4 | 172.2 | 174 | -115.5 | 0 | 0 | 0 | 110.7 | L81 I90 G94 C95 L104 | L81-Y92 HydrophobicContact CB-CD2 3.99Å; L81-Y92 HydrophobicContact CB-CG 3.93Å; L81-Y92 HydrophobicContact CD1-CD2 4.39Å; I90-Y92 PolarHBondContact O-N 3.48Å; Y92-G94 WeakPolarHBondContact CE2-O 3.42Å; Y92-G94 VanDerWaalsContact CZ-C 3.44Å; Y92-G94 VanDerWaalsContact CZ-CA 3.44Å; Y92-G94 WeakPolarHBondContact OH-CA 3.45Å; Y92-C95 HydrophobicContact CE2-CB 4.41Å; Y92-C95 WeakPolarHBondContact OH-CB 3.45Å; Y92-C95 PolarHBondContact OH-N 3.02Å; Y92-C95 VanDerWaalsContact OH-N 3.09Å; Y92-L104 HydrophobicContact CD2-CD1 3.88Å; Y92-L104 HydrophobicContact CE2-CD1 3.46Å; Y92-L104 VanDerWaalsContact CE2-CD1 3.46Å |
| 93 | K | 96 | Very high | 95.3 | Very high | 56 Ų | 56 | 50.2 Ų | 50.2 | 24% | 0.243 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | -8.1 | -178 | -64.1 | -176 | -176.9 | -76.7 | 0 | 113.7 | E53 V55 E91 V105 | E53-K93 WeakPolarHBondContact OE1-CE 3.26Å; E53-K93 IonicContact OE1-NZ 3.82Å; E53-K93 PolarHBondContact OE1-NZ 3.17Å; V55-K93 HydrophobicContact CG1-CD 3.96Å; E91-K93 IonicContact OE1-NZ 2.95Å; E91-K93 WeakPolarHBondContact OE2-CE 3.41Å; E91-K93 IonicContact OE2-NZ 2.94Å; E91-K93 PolarHBondContact OE2-NZ 3.49Å; K93-V105 HydrophobicContact CB-CB 4.34Å; K93-V105 HydrophobicContact CB-CG1 4.08Å; K93-V105 PolarHBondContact N-O 3.03Å |
| 94 | G | 95.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 140.9 | 170 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y92 V105 | Y92-G94 WeakPolarHBondContact CE2-O 3.42Å; Y92-G94 VanDerWaalsContact CZ-C 3.44Å; Y92-G94 VanDerWaalsContact CZ-CA 3.44Å; Y92-G94 WeakPolarHBondContact OH-CA 3.45Å; G94-V105 PolarHBondContact N-O 3.34Å; G94-V105 PolarHBondContact O-N 2.91Å |
| 95 | C | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 137.9 | 171.4 | -161.7 | 0 | 0 | 0 | 0 | 109.9 | F20 F21 V78 Y92 W103 L104 | F20-C95 CarbonylContact C-O 3.57Å; F20-C95 VanDerWaalsContact CA-O 3.25Å; F20-C95 WeakPolarHBondContact CA-O 3.39Å; F20-C95 HydrophobicContact CD1-CB 3.81Å; F20-C95 HydrophobicContact CE1-CB 4.15Å; F20-C95 VanDerWaalsContact CE1-SG 3.57Å; F21-C95 PolarHBondContact N-O 2.84Å; V78-C95 HydrophobicContact CG1-CB 4.3Å; V78-C95 HydrophobicContact CG2-CB 4.03Å; Y92-C95 HydrophobicContact CE2-CB 4.41Å; Y92-C95 WeakPolarHBondContact OH-CB 3.45Å; Y92-C95 PolarHBondContact OH-N 3.02Å; Y92-C95 VanDerWaalsContact OH-N 3.09Å; C95-W103 CarbonylContact C-O 3.37Å; C95-W103 VanDerWaalsContact CA-O 3.29Å; C95-W103 WeakPolarHBondContact CA-O 3.27Å; C95-L104 HydrophobicContact CB-CD1 4.4Å |
| 96 | Y | 96.3 | Very high | 95.5 | Very high | 24 Ų | 24 | 35.1 Ų | 35.1 | 9% | 0.094 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 158.3 | 178.5 | -59.5 | -104.7 | 0 | 0 | 0 | 109.9 | F21 D23 P25 V28 F29 A102 W103 V105 | F21-Y96 HydrophobicContact CB-CD1 3.57Å; F21-Y96 HydrophobicContact CB-CE1 3.39Å; F21-Y96 HydrophobicContact CB-CE2 4.47Å; F21-Y96 HydrophobicContact CB-CG 4.2Å; F21-Y96 HydrophobicContact CD2-CE1 4.17Å; F21-Y96 AromaticContact CD2-CE2 3.92Å; F21-Y96 HydrophobicContact CD2-CE2 3.92Å; F21-Y96 AromaticContact CD2-CZ 3.73Å; F21-Y96 HydrophobicContact CG-CE1 4.06Å; D23-Y96 HydrophobicContact CB-CE1 4.21Å; D23-Y96 WeakPolarHBondContact O-CD1 3.38Å; P25-Y96 HydrophobicContact CB-CD1 4.36Å; P25-Y96 HydrophobicContact CB-CG 4.03Å; V28-Y96 HydrophobicContact CG2-CE1 4.24Å; F29-Y96 HydrophobicContact CE2-CD2 4.02Å; F29-Y96 AromaticContact CE2-CE2 3.68Å; F29-Y96 HydrophobicContact CE2-CE2 3.68Å; F29-Y96 AromaticContact CZ-CE2 3.94Å; F29-Y96 HydrophobicContact CZ-CE2 3.94Å; Y96-A102 CarbonylContact O-C 3.5Å; Y96-A102 WeakPolarHBondContact O-CA 3.31Å; Y96-W103 PolarHBondContact N-O 3.45Å; Y96-W103 PolarHBondContact O-N 3.37Å; Y96-V105 HydrophobicContact CD2-CG2 3.76Å; Y96-V105 HydrophobicContact CE2-CG2 3.73Å |
| 97 | L | 93.8 | Very high | 95.4 | Very high | 41 Ų | 41 | 34 Ų | 34 | 22% | 0.215 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 126.1 | 178.6 | -86.8 | 164.4 | 0 | 0 | 0 | 111.3 | F20 Y62 W71 A102 | F20-L97 HydrophobicContact CB-CD1 3.88Å; F20-L97 HydrophobicContact CB-CG 4.31Å; F20-L97 HydrophobicContact CD1-CD1 3.66Å; F20-L97 HydrophobicContact CD1-CG 3.64Å; F20-L97 HydrophobicContact CD2-CD1 3.46Å; F20-L97 VanDerWaalsContact CD2-CD1 3.46Å; F20-L97 HydrophobicContact CD2-CG 4.36Å; F20-L97 HydrophobicContact CE1-CD1 3.99Å; F20-L97 HydrophobicContact CE1-CD2 4.42Å; F20-L97 HydrophobicContact CE1-CG 3.96Å; F20-L97 HydrophobicContact CE2-CD1 3.82Å; F20-L97 HydrophobicContact CG-CD1 3.37Å; F20-L97 HydrophobicContact CG-CG 3.85Å; F20-L97 HydrophobicContact CZ-CD1 4.06Å; F20-L97 HydrophobicContact CZ-CG 4.46Å; Y62-L97 HydrophobicContact CE1-CD2 3.68Å; Y62-L97 WeakPolarHBondContact OH-CD2 3.32Å; W71-L97 HydrophobicContact CH2-CD1 4.02Å; W71-L97 HydrophobicContact CH2-CD2 4.03Å; W71-L97 HydrophobicContact CZ3-CD2 3.92Å; L97-A102 HydrophobicContact CD2-CB 4.31Å |
| 98 | K | 91.4 | Very high | 95.3 | Very high | 56 Ų | 56 | 31.4 Ų | 31.4 | 24% | 0.243 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 130.9 | 173.9 | -175.5 | 70.7 | 178.1 | -154.4 | 0 | 110.3 | D24 P25 N100 T101 | D24-K98 IonicContact OD1-NZ 2.82Å; D24-K98 IonicContact OD2-NZ 3.02Å; D24-K98 PolarHBondContact OD2-NZ 2.78Å; P25-K98 HydrophobicContact CG-CB 3.79Å; K98-N100 PolarHBondContact O-N 3.43Å; K98-T101 PolarHBondContact N-O 3.46Å; K98-T101 WeakPolarHBondContact O-CA 3.44Å; K98-T101 VanDerWaalsContact O-CB 3.28Å; K98-T101 WeakPolarHBondContact O-CB 3.42Å; K98-T101 PolarHBondContact O-N 3.15Å; K98-T101 VanDerWaalsContact O-O 3.07Å |
| 99 | D | 89.4 | Confident | 95.2 | Very high | 124 Ų | 124 | 31 Ų | 31 | 66% | 0.663 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 43.6 | 56.1 | 171.6 | -60.1 | -34.7 | 0 | 0 | 0 | 114.6 | T101 | D99-T101 PolarHBondContact O-N 3.46Å; D99-T101 PolarHBondContact O-OG1 3.12Å |
| 100 | N | 89.1 | Confident | 94.9 | Very high | 75 Ų | 75 | 31.3 Ų | 31.3 | 40% | 0.401 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 28.7 | -179.3 | -68 | 75.4 | 0 | 0 | 0 | 114.6 | Y62 N63 K98 | Y62-N100 WeakPolarHBondContact CD1-O 3.48Å; Y62-N100 WeakPolarHBondContact CE1-O 3.3Å; Y62-N100 HydrophobicContact CE2-CB 4.14Å; Y62-N100 VanDerWaalsContact CZ-CA 3.44Å; Y62-N100 PolarHBondContact N-O 2.81Å; Y62-N100 VanDerWaalsContact N-O 3.09Å; N63-N100 HydrophobicContact CB-CB 4.46Å; K98-N100 PolarHBondContact O-N 3.43Å |
| 101 | T | 92.3 | Very high | 94.7 | Very high | 30 Ų | 30 | 31.7 Ų | 31.7 | 18% | 0.184 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 125.6 | 178.2 | -52.7 | 0 | 0 | 0 | 0 | 109.8 | K59 M60 K98 D99 | K59-T101 HydrophobicContact CB-CG2 3.98Å; M60-T101 WeakPolarHBondContact O-CA 3.32Å; K98-T101 PolarHBondContact N-O 3.46Å; K98-T101 WeakPolarHBondContact O-CA 3.44Å; K98-T101 VanDerWaalsContact O-CB 3.28Å; K98-T101 WeakPolarHBondContact O-CB 3.42Å; K98-T101 PolarHBondContact O-N 3.15Å; K98-T101 VanDerWaalsContact O-O 3.07Å; D99-T101 PolarHBondContact O-N 3.46Å; D99-T101 PolarHBondContact O-OG1 3.12Å |
| 102 | A | 94.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 131.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | F20 K59 M60 I74 Y96 L97 | F20-A102 HydrophobicContact CE1-CB 4.41Å; K59-A102 CarbonylContact C-O 3.55Å; K59-A102 WeakPolarHBondContact CA-O 3.37Å; M60-A102 HydrophobicContact CE-CB 4.4Å; M60-A102 PolarHBondContact N-O 3.49Å; M60-A102 PolarHBondContact O-N 3.12Å; I74-A102 HydrophobicContact CD1-CB 4.15Å; I74-A102 HydrophobicContact CG2-CB 3.67Å; Y96-A102 CarbonylContact O-C 3.5Å; Y96-A102 WeakPolarHBondContact O-CA 3.31Å; L97-A102 HydrophobicContact CD2-CB 4.31Å |
| 103 | W | 96.6 | Very high | 94.6 | Very high | 9 Ų | 9 | 24.7 Ų | 24.7 | 3% | 0.034 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 95.2 | 178.6 | -69.1 | 49.1 | 0 | 0 | 0 | 108.1 | P25 E26 L32 I57 K59 C95 Y96 | P25-W103 HydrophobicContact CB-CB 4.41Å; P25-W103 HydrophobicContact CB-CD2 3.74Å; P25-W103 HydrophobicContact CB-CE3 3.61Å; P25-W103 HydrophobicContact CB-CG 4.14Å; P25-W103 HydrophobicContact CB-CH2 4.42Å; P25-W103 HydrophobicContact CB-CZ3 3.98Å; P25-W103 HydrophobicContact CG-CD2 3.88Å; P25-W103 HydrophobicContact CG-CE3 4.22Å; P25-W103 HydrophobicContact CG-CG 4.08Å; P25-W103 HydrophobicContact CG-CZ2 4.32Å; E26-W103 HydrophobicContact CG-CH2 3.82Å; E26-W103 HydrophobicContact CG-CZ2 3.96Å; L32-W103 HydrophobicContact CD2-CH2 3.96Å; L32-W103 HydrophobicContact CD2-CZ3 3.82Å; I57-W103 HydrophobicContact CD1-CE3 4.11Å; I57-W103 HydrophobicContact CD1-CZ3 4.39Å; I57-W103 HydrophobicContact CG2-CB 3.9Å; I57-W103 HydrophobicContact CG2-CD2 4.16Å; I57-W103 HydrophobicContact CG2-CE3 3.71Å; I57-W103 HydrophobicContact CG2-CG 4.27Å; K59-W103 HydrophobicContact CD-CD2 4.07Å; K59-W103 HydrophobicContact CD-CZ2 4.04Å; K59-W103 VanDerWaalsContact CE-CE2 3.44Å; K59-W103 VanDerWaalsContact CE-CZ3 3.5Å; K59-W103 HydrophobicContact CG-CD2 4.03Å; K59-W103 HydrophobicContact CG-CG 4.16Å; C95-W103 CarbonylContact C-O 3.37Å; C95-W103 VanDerWaalsContact CA-O 3.29Å; C95-W103 WeakPolarHBondContact CA-O 3.27Å; Y96-W103 PolarHBondContact N-O 3.45Å; Y96-W103 PolarHBondContact O-N 3.37Å |
| 104 | L | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 113.5 | 178.8 | 179.4 | 82.6 | 0 | 0 | 0 | 109.3 | I57 K58 M60 E77 V78 L81 Y92 C95 M106 | I57-L104 CarbonylContact C-O 3.57Å; I57-L104 WeakPolarHBondContact CA-O 3.48Å; K58-L104 HydrophobicContact CB-CB 4.25Å; K58-L104 HydrophobicContact CB-CD2 4.32Å; K58-L104 HydrophobicContact CD-CD2 4.09Å; K58-L104 PolarHBondContact N-O 3.25Å; K58-L104 PolarHBondContact O-N 2.97Å; M60-L104 HydrophobicContact CE-CB 3.7Å; M60-L104 HydrophobicContact CE-CD2 4.17Å; M60-L104 HydrophobicContact CE-CG 4.45Å; E77-L104 HydrophobicContact CG-CD2 4.41Å; V78-L104 HydrophobicContact CG2-CD1 3.89Å; L81-L104 HydrophobicContact CD1-CD1 3.8Å; L81-L104 HydrophobicContact CD1-CD2 3.55Å; L81-L104 HydrophobicContact CD1-CG 4.11Å; Y92-L104 HydrophobicContact CD2-CD1 3.88Å; Y92-L104 HydrophobicContact CE2-CD1 3.46Å; Y92-L104 VanDerWaalsContact CE2-CD1 3.46Å; C95-L104 HydrophobicContact CB-CD1 4.4Å; L104-M106 HydrophobicContact CD2-CE 4.23Å; L104-M106 HydrophobicContact CD2-SD 4.08Å; L104-M106 HydrophobicContact CG-CG 4.48Å |
| 105 | V | 97.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.018 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 130.4 | -174.6 | -169.7 | 0 | 0 | 0 | 0 | 109.8 | F29 V55 A56 I57 K93 G94 Y96 | F29-V105 HydrophobicContact CE1-CG1 4.08Å; F29-V105 HydrophobicContact CE2-CG2 3.75Å; F29-V105 HydrophobicContact CZ-CB 4.35Å; F29-V105 HydrophobicContact CZ-CG1 3.82Å; F29-V105 HydrophobicContact CZ-CG2 3.67Å; V55-V105 HydrophobicContact CB-CG1 3.85Å; V55-V105 HydrophobicContact CG1-CG1 4.09Å; V55-V105 HydrophobicContact CG2-CG1 3.99Å; A56-V105 WeakPolarHBondContact O-CA 3.26Å; I57-V105 HydrophobicContact CG1-CG1 4.46Å; I57-V105 HydrophobicContact CG1-CG2 4.33Å; K93-V105 HydrophobicContact CB-CB 4.34Å; K93-V105 HydrophobicContact CB-CG1 4.08Å; K93-V105 PolarHBondContact N-O 3.03Å; G94-V105 PolarHBondContact N-O 3.34Å; G94-V105 PolarHBondContact O-N 2.91Å; Y96-V105 HydrophobicContact CD2-CG2 3.76Å; Y96-V105 HydrophobicContact CE2-CG2 3.73Å |
| 106 | M | 96.7 | Very high | 94.3 | Very high | 19 Ų | 19 | 25.3 Ų | 25.3 | 9% | 0.094 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 165.4 | -176.5 | -63.2 | 173.1 | -69.4 | 0 | 0 | 110.4 | A56 K58 L81 I90 E91 L104 | A56-M106 PolarHBondContact N-O 3.1Å; A56-M106 PolarHBondContact O-N 3.3Å; K58-M106 HydrophobicContact CB-CE 3.98Å; L81-M106 HydrophobicContact CD1-SD 4.5Å; I90-M106 HydrophobicContact CG1-CB 4.07Å; I90-M106 HydrophobicContact CG1-SD 4.29Å; I90-M106 HydrophobicContact CG2-SD 3.96Å; E91-M106 CarbonylContact O-C 3.58Å; E91-M106 WeakPolarHBondContact O-CA 3.48Å; L104-M106 HydrophobicContact CD2-CE 4.23Å; L104-M106 HydrophobicContact CD2-SD 4.08Å; L104-M106 HydrophobicContact CG-CG 4.48Å |
| 107 | E | 95.9 | Very high | 94.1 | Very high | 25 Ų | 25 | 24.4 Ų | 24.4 | 12% | 0.117 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 146.5 | 166.2 | 68.8 | -178 | 133.6 | 0 | 0 | 111.1 | I90 E91 K167 | I90-E107 HydrophobicContact CD1-CG 3.41Å; I90-E107 VanDerWaalsContact CD1-CG 3.41Å; I90-E107 HydrophobicContact CG1-CG 3.96Å; E91-E107 HydrophobicContact CB-CB 4Å; E91-E107 HydrophobicContact CB-CG 3.87Å; E91-E107 WeakPolarHBondContact CB-OE1 3.42Å; E91-E107 PolarHBondContact N-OE1 3.29Å; E91-E107 PolarHBondContact O-N 3.36Å; E107-K167 VanDerWaalsContact CD-NZ 3.34Å; E107-K167 VanDerWaalsContact OE1-CD 3.3Å; E107-K167 WeakPolarHBondContact OE1-CD 3.45Å; E107-K167 WeakPolarHBondContact OE1-CE 3.47Å; E107-K167 IonicContact OE1-NZ 2.8Å; E107-K167 PolarHBondContact OE1-NZ 3.41Å; E107-K167 VanDerWaalsContact OE2-CE 3.29Å; E107-K167 WeakPolarHBondContact OE2-CE 3.31Å; E107-K167 IonicContact OE2-NZ 3.99Å; E107-K167 PolarHBondContact OE2-NZ 3.05Å; E107-K167 VanDerWaalsContact OE2-NZ 3.13Å |
| 108 | Y | 96.1 | Very high | 93.9 | Very high | 16 Ų | 16 | 25.3 Ų | 25.3 | 6% | 0.063 | 14% | 0.137 | C | C | . | . | trans | -86.6 | 130.9 | 176 | 176.8 | -100.3 | 0 | 0 | 0 | 111.2 | I35 F45 V54 A56 K315 Q319 | I35-Y108 HydrophobicContact CD1-CD2 4.11Å; I35-Y108 HydrophobicContact CD1-CE2 3.79Å; F45-Y108 HydrophobicContact CB-CE2 4.18Å; F45-Y108 HydrophobicContact CD2-CD1 4.48Å; F45-Y108 AromaticContact CD2-CD2 3.9Å; F45-Y108 HydrophobicContact CD2-CD2 3.9Å; F45-Y108 HydrophobicContact CD2-CE1 4.18Å; F45-Y108 AromaticContact CD2-CE2 3.59Å; F45-Y108 HydrophobicContact CD2-CE2 3.59Å; F45-Y108 HydrophobicContact CD2-CG 4.34Å; F45-Y108 AromaticContact CD2-CZ 3.72Å; F45-Y108 HydrophobicContact CE2-CE1 4.37Å; F45-Y108 HydrophobicContact CG-CE2 4.38Å; V54-Y108 HydrophobicContact CG1-CD1 3.77Å; V54-Y108 HydrophobicContact CG1-CD2 4.4Å; V54-Y108 HydrophobicContact CG1-CE1 4.49Å; V54-Y108 HydrophobicContact CG1-CG 3.7Å; A56-Y108 HydrophobicContact CB-CD2 4.44Å; Y108-K315 PolarHBondContact OH-O 3.43Å; Y108-Q319 HydrophobicContact CD1-CG 4.09Å; Y108-Q319 HydrophobicContact CE1-CG 3.75Å | ||
| 109 | C | 95.6 | Very high | 93.9 | Very high | 10 Ų | 10 | 23 Ų | 23 | 7% | 0.068 | 13% | 0.127 | C | C | . | . | trans | -109 | 151.7 | 171.2 | -69.4 | 0 | 0 | 0 | 0 | 110 | I90 G111 L159 L160 | I90-C109 VanDerWaalsContact CD1-SG 3.57Å; C109-G111 VanDerWaalsContact C-N 3.33Å; C109-G111 PolarHBondContact O-N 2.91Å; C109-L159 HydrophobicContact CB-CB 3.72Å; C109-L159 HydrophobicContact CB-CD1 4.07Å; C109-L159 HydrophobicContact CB-CG 4.49Å; C109-L160 WeakPolarHBondContact CB-O 3.45Å | ||
| 110 | L | 92.8 | Very high | 94 | Very high | 8 Ų | 8 | 19 Ų | 19 | 4% | 0.042 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -57.4 | -47.1 | 177.7 | -174 | 85.9 | 0 | 0 | 0 | 111.2 | L160 I295 I316 | L110-L160 WeakPolarHBondContact CB-O 3.33Å; L110-L160 PolarHBondContact N-O 2.93Å; L110-I295 HydrophobicContact CD2-CB 4.25Å; L110-I295 HydrophobicContact CD2-CG1 3.96Å; L110-I295 HydrophobicContact CD2-CG2 3.59Å; L110-I316 HydrophobicContact CD1-CG2 4.13Å; L110-I316 WeakPolarHBondContact CD1-O 3.35Å; L110-I316 HydrophobicContact CD2-CG2 4.07Å; L110-I316 HydrophobicContact CG-CD1 4.28Å; L110-I316 HydrophobicContact CG-CG2 4.03Å; L110-I316 WeakPolarHBondContact O-CD1 3.24Å |
| 111 | G | 92.9 | Very high | 94 | Very high | 13 Ų | 13 | 19.2 Ų | 19.2 | 13% | 0.134 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.8 | 179.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C109 L159 L160 | C109-G111 VanDerWaalsContact C-N 3.33Å; C109-G111 PolarHBondContact O-N 2.91Å; G111-L159 WeakPolarHBondContact O-CA 3.39Å; G111-L160 PolarHBondContact O-N 3.45Å |
| 112 | S | 95.6 | Very high | 94 | Very high | 9 Ų | 9 | 24.8 Ų | 24.8 | 6% | 0.063 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 161.1 | 175.8 | 66.9 | 0 | 0 | 0 | 0 | 112.6 | S114 D115 L116 G156 I158 | S112-S114 PolarHBondContact O-N 3.48Å; S112-S114 PolarHBondContact OG-N 2.82Å; S112-D115 PolarHBondContact N-OD2 3.13Å; S112-D115 WeakPolarHBondContact O-CB 3.36Å; S112-D115 PolarHBondContact O-N 3.03Å; S112-D115 PolarHBondContact OG-N 2.93Å; S112-D115 VanDerWaalsContact OG-N 3.09Å; S112-D115 PolarHBondContact OG-OD2 3.24Å; S112-L116 PolarHBondContact O-N 3.49Å; S112-G156 WeakPolarHBondContact CB-O 3.37Å; S112-I158 CarbonylContact C-O 3.56Å; S112-I158 WeakPolarHBondContact CA-O 3.22Å |
| 113 | A | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.6 | -27.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L116 L117 I132 A155 I158 L160 L219 | A113-L116 WeakPolarHBondContact O-CB 3.28Å; A113-L117 PolarHBondContact O-N 3.02Å; A113-I132 HydrophobicContact CB-CD1 4.45Å; A113-I132 HydrophobicContact CB-CG2 4.44Å; A113-A155 HydrophobicContact CB-CB 4.07Å; A113-A155 WeakPolarHBondContact CB-O 3.42Å; A113-A155 PolarHBondContact N-O 2.81Å; A113-I158 HydrophobicContact CB-CB 4.41Å; A113-I158 PolarHBondContact N-O 3.41Å; A113-L160 HydrophobicContact CB-CD1 4.35Å; A113-L219 HydrophobicContact CB-CD2 3.87Å |
| 114 | S | 94.2 | Very high | 94 | Very high | 43 Ų | 43 | 27.6 Ų | 27.6 | 30% | 0.301 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -68 | -40.1 | 170.9 | -166.3 | 0 | 0 | 0 | 0 | 112.5 | S112 L116 L117 E118 A155 | S112-S114 PolarHBondContact O-N 3.48Å; S112-S114 PolarHBondContact OG-N 2.82Å; S114-L116 VanDerWaalsContact C-N 3.28Å; S114-L116 PolarHBondContact O-N 2.97Å; S114-L117 WeakPolarHBondContact O-CB 3.35Å; S114-L117 PolarHBondContact O-N 2.95Å; S114-E118 PolarHBondContact O-N 3.46Å; S114-A155 PolarHBondContact N-O 3.19Å; S114-A155 VanDerWaalsContact N-O 3.13Å |
| 115 | D | 92.6 | Very high | 94 | Very high | 18 Ų | 18 | 32.9 Ų | 32.9 | 10% | 0.096 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.3 | -39.2 | 176 | -64.2 | -51.6 | 0 | 0 | 0 | 111.4 | S112 E118 V119 K315 | S112-D115 PolarHBondContact N-OD2 3.13Å; S112-D115 WeakPolarHBondContact O-CB 3.36Å; S112-D115 PolarHBondContact O-N 3.03Å; S112-D115 PolarHBondContact OG-N 2.93Å; S112-D115 VanDerWaalsContact OG-N 3.09Å; S112-D115 PolarHBondContact OG-OD2 3.24Å; D115-E118 PolarHBondContact O-N 3.16Å; D115-E118 VanDerWaalsContact O-N 3.14Å; D115-V119 WeakPolarHBondContact O-CG2 3.3Å; D115-V119 PolarHBondContact O-N 3.36Å; D115-K315 VanDerWaalsContact OD1-CE 3.28Å; D115-K315 WeakPolarHBondContact OD1-CE 3.27Å; D115-K315 IonicContact OD1-NZ 3.82Å; D115-K315 PolarHBondContact OD1-NZ 3.34Å; D115-K315 IonicContact OD2-NZ 3.66Å; D115-K315 PolarHBondContact OD2-NZ 3.46Å |
| 116 | L | 93.9 | Very high | 94 | Very high | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.2 | -47.6 | 175.2 | -76.2 | 145.3 | 0 | 0 | 0 | 112 | S112 A113 S114 E118 V119 H120 L124 L160 L294 T298 | S112-L116 PolarHBondContact O-N 3.49Å; A113-L116 WeakPolarHBondContact O-CB 3.28Å; S114-L116 VanDerWaalsContact C-N 3.28Å; S114-L116 PolarHBondContact O-N 2.97Å; L116-E118 VanDerWaalsContact C-N 3.27Å; L116-E118 PolarHBondContact O-N 2.83Å; L116-V119 PolarHBondContact O-N 2.7Å; L116-H120 PolarHBondContact O-CD2 2.85Å; L116-H120 VanDerWaalsContact O-CD2 3.23Å; L116-H120 PolarHBondContact O-N 3.43Å; L116-H120 VanDerWaalsContact O-N 3.14Å; L116-L124 HydrophobicContact CB-CD2 4.43Å; L116-L160 HydrophobicContact CD1-CD1 3.56Å; L116-L160 HydrophobicContact CD1-CD2 4.05Å; L116-L160 HydrophobicContact CD1-CG 4.34Å; L116-L294 HydrophobicContact CD2-CD1 3.86Å; L116-L294 HydrophobicContact CD2-CD2 4.1Å; L116-L294 HydrophobicContact CD2-CG 3.8Å; L116-T298 HydrophobicContact CD2-CG2 3.8Å; L116-T298 WeakPolarHBondContact CD2-OG1 3.28Å |
| 117 | L | 92.1 | Very high | 94 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -37.5 | 174.6 | -67.7 | 170.5 | 0 | 0 | 0 | 112 | A113 S114 K121 L124 E218 L219 R222 | A113-L117 PolarHBondContact O-N 3.02Å; S114-L117 WeakPolarHBondContact O-CB 3.35Å; S114-L117 PolarHBondContact O-N 2.95Å; L117-K121 WeakPolarHBondContact O-CA 3.47Å; L117-K121 PolarHBondContact O-N 3.34Å; L117-L124 HydrophobicContact CD2-CD2 4.43Å; L117-L124 HydrophobicContact CD2-CG 3.98Å; L117-E218 HydrophobicContact CD1-CG 4.38Å; L117-L219 HydrophobicContact CD1-CD2 4.09Å; L117-L219 HydrophobicContact CG-CD2 4.42Å; L117-R222 HydrophobicContact CD2-CG 4.36Å |
| 118 | E | 89.8 | Confident | 94.1 | Very high | 59 Ų | 59 | 34 Ų | 34 | 28% | 0.276 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -71.7 | -35.8 | -178.8 | -167.8 | -180 | 173.7 | 0 | 0 | 112.3 | S114 D115 L116 K121 K312 M313 | S114-E118 PolarHBondContact O-N 3.46Å; D115-E118 PolarHBondContact O-N 3.16Å; D115-E118 VanDerWaalsContact O-N 3.14Å; L116-E118 VanDerWaalsContact C-N 3.27Å; L116-E118 PolarHBondContact O-N 2.83Å; E118-K121 WeakPolarHBondContact O-CD 3.29Å; E118-K121 WeakPolarHBondContact O-CE 3.46Å; E118-K121 PolarHBondContact O-NZ 2.89Å; E118-K121 IonicContact OE1-NZ 2.79Å; E118-K312 WeakPolarHBondContact OE1-CD 3.46Å; E118-K312 VanDerWaalsContact OE1-CE 3.31Å; E118-K312 WeakPolarHBondContact OE1-CE 3.43Å; E118-K312 IonicContact OE1-NZ 3.78Å; E118-K312 PolarHBondContact OE1-NZ 2.9Å; E118-K312 VanDerWaalsContact OE2-CE 3.3Å; E118-K312 WeakPolarHBondContact OE2-CE 3.11Å; E118-K312 IonicContact OE2-NZ 2.84Å; E118-K312 PolarHBondContact OE2-NZ 2.93Å; E118-M313 HydrophobicContact CB-CE 3.43Å; E118-M313 VanDerWaalsContact CB-CE 3.43Å; E118-M313 HydrophobicContact CG-CE 3.28Å; E118-M313 WeakPolarHBondContact OE2-CE 3.4Å |
| 119 | V | 91.8 | Very high | 94.2 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 5% | 0.048 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.3 | -52.5 | 174.6 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | D115 L116 K121 T298 A301 V302 M313 | D115-V119 WeakPolarHBondContact O-CG2 3.3Å; D115-V119 PolarHBondContact O-N 3.36Å; L116-V119 PolarHBondContact O-N 2.7Å; V119-K121 VanDerWaalsContact C-N 3.34Å; V119-K121 PolarHBondContact O-N 3.47Å; V119-T298 HydrophobicContact CB-CG2 4.07Å; V119-T298 HydrophobicContact CG1-CG2 3.89Å; V119-T298 HydrophobicContact CG2-CG2 4.13Å; V119-A301 HydrophobicContact CG1-CB 3.81Å; V119-V302 HydrophobicContact CB-CG2 4.41Å; V119-V302 HydrophobicContact CG1-CG2 3.76Å; V119-V302 HydrophobicContact CG2-CG2 3.66Å; V119-M313 HydrophobicContact CG2-CB 4.17Å; V119-M313 HydrophobicContact CG2-CE 4.44Å; V119-M313 HydrophobicContact CG2-CG 3.81Å; V119-M313 HydrophobicContact CG2-SD 3.89Å |
| 120 | H | 90.8 | Very high | 94.4 | Very high | 39 Ų | 39 | 32.8 Ų | 32.8 | 18% | 0.181 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -77.6 | -19.2 | -173.9 | -69.9 | -67.4 | 0 | 0 | 0 | 113.7 | L116 K122 T298 | L116-H120 PolarHBondContact O-CD2 2.85Å; L116-H120 VanDerWaalsContact O-CD2 3.23Å; L116-H120 PolarHBondContact O-N 3.43Å; L116-H120 VanDerWaalsContact O-N 3.14Å; H120-K122 PolarHBondContact O-N 2.75Å; H120-T298 PolarHBondContact NE2-OG1 3.33Å |
| 121 | K | 90.4 | Very high | 94.6 | Very high | 81 Ų | 81 | 32.6 Ų | 32.6 | 35% | 0.352 | 17% | 0.167 | S | C | . | . | S | Bend | trans | 51.2 | 24.4 | -171.7 | -56.6 | -62.5 | -174.8 | -149.9 | 0 | 113.4 | L117 E118 V119 R222 | L117-K121 WeakPolarHBondContact O-CA 3.47Å; L117-K121 PolarHBondContact O-N 3.34Å; E118-K121 WeakPolarHBondContact O-CD 3.29Å; E118-K121 WeakPolarHBondContact O-CE 3.46Å; E118-K121 PolarHBondContact O-NZ 2.89Å; E118-K121 IonicContact OE1-NZ 2.79Å; V119-K121 VanDerWaalsContact C-N 3.34Å; V119-K121 PolarHBondContact O-N 3.47Å; K121-R222 VanDerWaalsContact O-CZ 3.27Å; K121-R222 PolarHBondContact O-NH1 3.38Å; K121-R222 VanDerWaalsContact O-NH1 3.08Å |
| 122 | K | 91.4 | Very high | 94.9 | Very high | 147 Ų | 147 | 32 Ų | 32 | 64% | 0.639 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -137.8 | 154.4 | -178.4 | -70.4 | 179.3 | -178.2 | 179.8 | 0 | 109.4 | H120 | H120-K122 PolarHBondContact O-N 2.75Š|
| 123 | P | 94.3 | Very high | 95 | Very high | 62 Ų | 62 | 31.7 Ų | 31.7 | 40% | 0.403 | 16% | 0.158 | S | C | . | . | P | Polyproline II helix | trans | -53.4 | 153.6 | 165.1 | -26.1 | 37 | 0 | 0 | 0 | 112.2 | A220 R222 | P123-A220 WeakPolarHBondContact CB-O 3.43Å; P123-A220 WeakPolarHBondContact CG-O 3.24Å; P123-R222 HydrophobicContact CG-CG 4.32Å |
| 124 | L | 96.9 | Very high | 95.1 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -75.4 | 158 | 169.7 | -61.7 | -173.3 | 0 | 0 | 0 | 110.6 | L116 L117 E128 I129 I132 L219 L294 | L116-L124 HydrophobicContact CB-CD2 4.43Å; L117-L124 HydrophobicContact CD2-CD2 4.43Å; L117-L124 HydrophobicContact CD2-CG 3.98Å; L124-E128 HydrophobicContact CB-CB 4.28Å; L124-I129 HydrophobicContact CB-CD1 4.46Å; L124-I129 HydrophobicContact CB-CG1 3.86Å; L124-I132 HydrophobicContact CD1-CD1 3.56Å; L124-L219 HydrophobicContact CD1-CD2 4.09Å; L124-L219 PolarHBondContact N-O 2.92Å; L124-L219 VanDerWaalsContact N-O 3.14Å; L124-L294 HydrophobicContact CD1-CD2 4.46Å; L124-L294 HydrophobicContact CD2-CD1 4.18Å |
| 125 | Q | 96.9 | Very high | 95.3 | Very high | 110 Ų | 110 | 32.4 Ų | 32.4 | 51% | 0.514 | 16% | 0.157 | S | C | . | . | P | Polyproline II helix | trans | -69.6 | 147.7 | 174.8 | -58.1 | 179.8 | 8.8 | 0 | 0 | 110.1 | M127 E128 I129 | Q125-M127 PolarHBondContact O-N 3.41Å; Q125-M127 VanDerWaalsContact O-N 3.1Å; Q125-E128 HydrophobicContact CB-CG 4.02Å; Q125-E128 PolarHBondContact N-OE2 2.97Å; Q125-E128 WeakPolarHBondContact O-CA 3.45Å; Q125-E128 VanDerWaalsContact O-CB 3.3Å; Q125-E128 WeakPolarHBondContact O-CB 3.46Å; Q125-E128 PolarHBondContact O-N 2.85Å; Q125-I129 WeakPolarHBondContact O-CG1 3.48Å; Q125-I129 PolarHBondContact O-N 2.8Å |
| 126 | E | 97.3 | Very high | 95.6 | Very high | 27 Ų | 27 | 31.5 Ų | 31.5 | 13% | 0.126 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -53.4 | -39.5 | -176.9 | -169.3 | -179.4 | 112.8 | 0 | 0 | 112.9 | E128 I129 A130 W251 S252 F255 F281 R284 | E126-E128 VanDerWaalsContact C-N 3.33Å; E126-E128 PolarHBondContact O-N 3.39Å; E126-I129 PolarHBondContact O-N 3.23Å; E126-A130 WeakPolarHBondContact O-CB 3.46Å; E126-A130 PolarHBondContact O-N 2.92Å; E126-W251 HydrophobicContact CB-CE3 3.99Å; E126-W251 HydrophobicContact CB-CZ3 3.84Å; E126-W251 HydrophobicContact CG-CE3 4.15Å; E126-W251 HydrophobicContact CG-CZ3 4.41Å; E126-S252 VanDerWaalsContact CD-OG 3.25Å; E126-S252 WeakPolarHBondContact OE1-CB 3.33Å; E126-S252 PolarHBondContact OE1-OG 2.94Å; E126-S252 PolarHBondContact OE2-N 3.03Å; E126-S252 PolarHBondContact OE2-OG 3.32Å; E126-F255 HydrophobicContact CG-CB 4.27Å; E126-F255 HydrophobicContact CG-CD1 3.99Å; E126-F255 HydrophobicContact CG-CG 4.28Å; E126-F281 HydrophobicContact CG-CE2 3.95Å; E126-R284 IonicContact OE1-CZ 4Å; E126-R284 VanDerWaalsContact OE1-CZ 3.27Å; E126-R284 IonicContact OE1-NH1 3.28Å; E126-R284 PolarHBondContact OE1-NH1 3.42Å; E126-R284 IonicContact OE1-NH2 2.74Å; E126-R284 PolarHBondContact OE1-NH2 3Å |
| 127 | M | 96.8 | Very high | 95.8 | Very high | 42 Ų | 42 | 31.1 Ų | 31.1 | 21% | 0.207 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.8 | -32.4 | 177.5 | -65.8 | -55.4 | -65.9 | 0 | 0 | 113.4 | Q125 A131 R284 E285 R286 I290 | Q125-M127 PolarHBondContact O-N 3.41Å; Q125-M127 VanDerWaalsContact O-N 3.1Å; M127-A131 WeakPolarHBondContact O-CB 3.39Å; M127-A131 PolarHBondContact O-N 2.99Å; M127-A131 VanDerWaalsContact O-N 3.16Å; M127-R284 PolarHBondContact SD-NE 3.4Å; M127-R284 PolarHBondContact SD-NH2 3.46Å; M127-E285 WeakPolarHBondContact CE-O 3.47Å; M127-R286 HydrophobicContact CE-CB 3.13Å; M127-R286 HydrophobicContact CE-CG 4.4Å; M127-I290 HydrophobicContact CB-CD1 4.16Å; M127-I290 HydrophobicContact CB-CG1 4.25Å |
| 128 | E | 98 | Very high | 96.1 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -71.5 | -44.5 | 175.1 | -61.9 | 169.1 | 156.6 | 0 | 0 | 109.9 | L124 Q125 E126 A130 A131 I132 I290 L294 R297 | L124-E128 HydrophobicContact CB-CB 4.28Å; Q125-E128 HydrophobicContact CB-CG 4.02Å; Q125-E128 PolarHBondContact N-OE2 2.97Å; Q125-E128 WeakPolarHBondContact O-CA 3.45Å; Q125-E128 VanDerWaalsContact O-CB 3.3Å; Q125-E128 WeakPolarHBondContact O-CB 3.46Å; Q125-E128 PolarHBondContact O-N 2.85Å; E126-E128 VanDerWaalsContact C-N 3.33Å; E126-E128 PolarHBondContact O-N 3.39Å; E128-A130 PolarHBondContact O-N 3.43Å; E128-A131 PolarHBondContact O-N 3.49Å; E128-A131 VanDerWaalsContact O-N 3.13Å; E128-I132 WeakPolarHBondContact O-CG1 3.23Å; E128-I132 PolarHBondContact O-N 3.41Å; E128-I290 HydrophobicContact CG-CD1 4.4Å; E128-I290 HydrophobicContact CG-CG1 4.18Å; E128-L294 HydrophobicContact CB-CD2 4.11Å; E128-L294 HydrophobicContact CG-CB 4.45Å; E128-L294 HydrophobicContact CG-CD2 4.15Å; E128-L294 WeakPolarHBondContact OE1-CD1 3.39Å; E128-R297 IonicContact OE1-CZ 3.78Å; E128-R297 VanDerWaalsContact OE1-CZ 3.23Å; E128-R297 IonicContact OE1-NH1 3.95Å; E128-R297 PolarHBondContact OE1-NH1 3.44Å; E128-R297 IonicContact OE1-NH2 3.61Å; E128-R297 PolarHBondContact OE1-NH2 3.04Å; E128-R297 IonicContact OE2-NH1 2.86Å |
| 129 | I | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.8 | -50 | 174.5 | -58.2 | 176.6 | 0 | 0 | 0 | 109.5 | L124 Q125 E126 A131 I132 T133 L219 A220 W251 F255 F281 | L124-I129 HydrophobicContact CB-CD1 4.46Å; L124-I129 HydrophobicContact CB-CG1 3.86Å; Q125-I129 WeakPolarHBondContact O-CG1 3.48Å; Q125-I129 PolarHBondContact O-N 2.8Å; E126-I129 PolarHBondContact O-N 3.23Å; I129-A131 PolarHBondContact O-N 2.97Å; I129-I132 PolarHBondContact O-N 2.84Å; I129-T133 VanDerWaalsContact O-CB 3.28Å; I129-T133 WeakPolarHBondContact O-CB 3.41Å; I129-T133 PolarHBondContact O-N 3.31Å; I129-T133 PolarHBondContact O-OG1 2.95Å; I129-L219 HydrophobicContact CD1-CB 4.1Å; I129-L219 HydrophobicContact CG1-CB 3.95Å; I129-L219 HydrophobicContact CG2-CB 4.28Å; I129-L219 HydrophobicContact CG2-CD1 4.13Å; I129-A220 HydrophobicContact CD1-CB 4.12Å; I129-W251 HydrophobicContact CD1-CH2 4.04Å; I129-W251 HydrophobicContact CD1-CZ3 4.14Å; I129-F255 HydrophobicContact CD1-CE1 4.15Å; I129-F255 HydrophobicContact CD1-CZ 4.16Å; I129-F255 HydrophobicContact CG2-CE2 4.05Å; I129-F255 HydrophobicContact CG2-CZ 3.84Å; I129-F281 HydrophobicContact CB-CZ 4.47Å; I129-F281 HydrophobicContact CG2-CZ 4.11Å |
| 130 | A | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.5 | -38 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E126 E128 H134 F281 R286 | E126-A130 WeakPolarHBondContact O-CB 3.46Å; E126-A130 PolarHBondContact O-N 2.92Å; E128-A130 PolarHBondContact O-N 3.43Å; A130-H134 WeakPolarHBondContact O-CB 3.21Å; A130-H134 PolarHBondContact O-N 2.78Å; A130-F281 HydrophobicContact CB-CD2 4.31Å; A130-F281 HydrophobicContact CB-CE1 4.13Å; A130-F281 HydrophobicContact CB-CE2 3.76Å; A130-F281 HydrophobicContact CB-CZ 3.65Å; A130-R286 PolarHBondContact O-NH1 2.98Å |
| 131 | A | 98.2 | Very high | 97.2 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 4% | 0.041 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -71 | -43.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M127 E128 I129 G135 R286 I290 L291 | M127-A131 WeakPolarHBondContact O-CB 3.39Å; M127-A131 PolarHBondContact O-N 2.99Å; M127-A131 VanDerWaalsContact O-N 3.16Å; E128-A131 PolarHBondContact O-N 3.49Å; E128-A131 VanDerWaalsContact O-N 3.13Å; I129-A131 PolarHBondContact O-N 2.97Å; A131-G135 PolarHBondContact O-N 2.83Å; A131-R286 VanDerWaalsContact N-NH1 3.15Å; A131-I290 HydrophobicContact CB-CG2 3.77Å; A131-L291 HydrophobicContact CB-CD1 4Å; A131-L291 HydrophobicContact CB-CD2 3.75Å; A131-L291 HydrophobicContact CB-CG 3.8Å |
| 132 | I | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.6 | -49.8 | 174.5 | -65.9 | 170.7 | 0 | 0 | 0 | 110.2 | A113 L124 E128 I129 H134 G135 A136 I158 L219 L291 L294 | A113-I132 HydrophobicContact CB-CD1 4.45Å; A113-I132 HydrophobicContact CB-CG2 4.44Å; L124-I132 HydrophobicContact CD1-CD1 3.56Å; E128-I132 WeakPolarHBondContact O-CG1 3.23Å; E128-I132 PolarHBondContact O-N 3.41Å; I129-I132 PolarHBondContact O-N 2.84Å; I132-H134 PolarHBondContact O-N 2.99Å; I132-G135 PolarHBondContact O-N 3.28Å; I132-A136 PolarHBondContact O-N 2.85Å; I132-I158 HydrophobicContact CG2-CG2 3.77Å; I132-L219 HydrophobicContact CB-CD1 4.48Å; I132-L219 HydrophobicContact CG2-CD1 4.09Å; I132-L291 HydrophobicContact CG1-CD2 3.89Å; I132-L294 HydrophobicContact CD1-CD2 4.45Å |
| 133 | T | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.8 | -42.9 | 179.4 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | I129 G135 A136 L137 L212 C216 F258 F281 V282 | I129-T133 VanDerWaalsContact O-CB 3.28Å; I129-T133 WeakPolarHBondContact O-CB 3.41Å; I129-T133 PolarHBondContact O-N 3.31Å; I129-T133 PolarHBondContact O-OG1 2.95Å; T133-G135 PolarHBondContact O-N 2.92Å; T133-A136 PolarHBondContact O-N 3.04Å; T133-L137 WeakPolarHBondContact O-CB 3.45Å; T133-L137 PolarHBondContact O-N 2.68Å; T133-L212 HydrophobicContact CG2-CD1 4.3Å; T133-L212 HydrophobicContact CG2-CD2 4.15Å; T133-L212 HydrophobicContact CG2-CG 4.34Å; T133-C216 PolarHBondContact OG1-SG 3.08Å; T133-C216 VanDerWaalsContact OG1-SG 3.36Å; T133-F258 HydrophobicContact CG2-CE1 3.49Å; T133-F258 VanDerWaalsContact CG2-CE1 3.49Å; T133-F258 HydrophobicContact CG2-CZ 3.54Å; T133-F281 HydrophobicContact CG2-CE1 4.27Å; T133-V282 HydrophobicContact CG2-CG1 4.11Å |
| 134 | H | 98.5 | Very high | 98.1 | Very high | 54 Ų | 54 | 18.5 Ų | 18.5 | 25% | 0.25 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.9 | -45.5 | 176.4 | 179.1 | -118.2 | 0 | 0 | 0 | 112.2 | A130 I132 L137 L138 V282 R286 | A130-H134 WeakPolarHBondContact O-CB 3.21Å; A130-H134 PolarHBondContact O-N 2.78Å; I132-H134 PolarHBondContact O-N 2.99Å; H134-L137 PolarHBondContact O-N 3.39Å; H134-L138 WeakPolarHBondContact O-CG 3.41Å; H134-L138 PolarHBondContact O-N 3.47Å; H134-V282 HydrophobicContact CB-CB 4.12Å; H134-V282 HydrophobicContact CB-CG1 4.32Å; H134-R286 VanDerWaalsContact CG-NH2 3.28Å; H134-R286 PolarHBondContact ND1-NH2 3.45Å |
| 135 | G | 98 | Very high | 98.1 | Very high | 4 Ų | 4 | 22.2 Ų | 22.2 | 4% | 0.041 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.7 | -44.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N88 A131 I132 T133 L137 L138 G139 | N88-G135 VanDerWaalsContact CB-O 3.24Å; N88-G135 WeakPolarHBondContact CB-O 3.4Å; N88-G135 VanDerWaalsContact CG-O 3.32Å; A131-G135 PolarHBondContact O-N 2.83Å; I132-G135 PolarHBondContact O-N 3.28Å; T133-G135 PolarHBondContact O-N 2.92Å; G135-L137 VanDerWaalsContact C-N 3.33Å; G135-L137 PolarHBondContact O-N 3.01Å; G135-L138 PolarHBondContact O-N 2.98Å; G135-G139 PolarHBondContact O-N 2.81Å |
| 136 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.8 | -43.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I132 T133 L138 G139 L140 I158 L168 L212 | I132-A136 PolarHBondContact O-N 2.85Å; T133-A136 PolarHBondContact O-N 3.04Å; A136-L138 PolarHBondContact O-N 3.05Å; A136-G139 WeakPolarHBondContact O-CA 3.27Å; A136-G139 PolarHBondContact O-N 3.41Å; A136-G139 VanDerWaalsContact O-N 3.12Å; A136-L140 WeakPolarHBondContact O-CG 2.81Å; A136-L140 PolarHBondContact O-N 2.92Å; A136-I158 HydrophobicContact CB-CD1 3.92Å; A136-I158 HydrophobicContact CB-CG1 4.43Å; A136-L168 HydrophobicContact CB-CD2 4.03Å; A136-L212 HydrophobicContact CB-CD1 4.06Å |
| 137 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.6 | -35.1 | -179.3 | -170.4 | 63.4 | 0 | 0 | 0 | 113 | T133 H134 G135 G139 L140 A141 I209 L212 F258 L276 L277 | T133-L137 WeakPolarHBondContact O-CB 3.45Å; T133-L137 PolarHBondContact O-N 2.68Å; H134-L137 PolarHBondContact O-N 3.39Å; G135-L137 VanDerWaalsContact C-N 3.33Å; G135-L137 PolarHBondContact O-N 3.01Å; L137-G139 VanDerWaalsContact C-N 3.34Å; L137-L140 PolarHBondContact O-N 3.33Å; L137-A141 WeakPolarHBondContact O-CB 3.32Å; L137-A141 PolarHBondContact O-N 3.42Å; L137-I209 HydrophobicContact CD1-CD1 3.98Å; L137-L212 HydrophobicContact CB-CD2 4.23Å; L137-L212 HydrophobicContact CD1-CD2 3.76Å; L137-F258 HydrophobicContact CD2-CE2 4.43Å; L137-F258 HydrophobicContact CD2-CZ 4.35Å; L137-L276 HydrophobicContact CD1-CB 4.15Å; L137-L276 HydrophobicContact CD2-CB 3.61Å; L137-L276 HydrophobicContact CG-CB 4.49Å; L137-L277 HydrophobicContact CB-CD2 4.18Å; L137-L277 HydrophobicContact CD2-CD2 3.9Å; L137-L277 HydrophobicContact CD2-CG 4.01Å; L137-L277 HydrophobicContact CG-CD2 3.87Å; L137-L277 HydrophobicContact CG-CG 3.97Å |
| 138 | L | 98.6 | Very high | 97.9 | Very high | 53 Ų | 53 | 23.6 Ų | 23.6 | 28% | 0.277 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -61.1 | -43.2 | 170 | -73.4 | 169.1 | 0 | 0 | 0 | 111.3 | N88 H134 G135 A136 A141 Y142 L277 | N88-L138 HydrophobicContact CB-CB 4.44Å; N88-L138 WeakPolarHBondContact OD1-CB 3.37Å; H134-L138 WeakPolarHBondContact O-CG 3.41Å; H134-L138 PolarHBondContact O-N 3.47Å; G135-L138 PolarHBondContact O-N 2.98Å; A136-L138 PolarHBondContact O-N 3.05Å; L138-A141 PolarHBondContact O-N 2.87Å; L138-Y142 PolarHBondContact O-N 2.94Å; L138-Y142 VanDerWaalsContact O-N 3.08Å; L138-L277 HydrophobicContact CD2-CD1 4.08Å; L138-L277 HydrophobicContact CD2-CD2 3.66Å; L138-L277 HydrophobicContact CG-CD2 3.89Å |
| 139 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61 | -44.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G135 A136 L137 Y142 L143 | G135-G139 PolarHBondContact O-N 2.81Å; A136-G139 WeakPolarHBondContact O-CA 3.27Å; A136-G139 PolarHBondContact O-N 3.41Å; A136-G139 VanDerWaalsContact O-N 3.12Å; L137-G139 VanDerWaalsContact C-N 3.34Å; G139-Y142 WeakPolarHBondContact O-CB 3.37Å; G139-Y142 PolarHBondContact O-N 3.45Å; G139-L143 WeakPolarHBondContact O-CG 3.37Å; G139-L143 PolarHBondContact O-N 3.23Å |
| 140 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.7 | -39.2 | 177.4 | -67 | 179.5 | 0 | 0 | 0 | 112.7 | A136 L137 Y142 L143 H144 H150 V153 L168 D208 I209 L212 | A136-L140 WeakPolarHBondContact O-CG 2.81Å; A136-L140 PolarHBondContact O-N 2.92Å; L137-L140 PolarHBondContact O-N 3.33Å; L140-Y142 VanDerWaalsContact C-N 3.29Å; L140-Y142 PolarHBondContact O-N 3.36Å; L140-L143 HydrophobicContact CD2-CD1 4.37Å; L140-L143 PolarHBondContact O-N 2.98Å; L140-H144 WeakPolarHBondContact O-CB 3.49Å; L140-H144 PolarHBondContact O-CD2 3.41Å; L140-H144 PolarHBondContact O-N 2.98Å; L140-H150 HydrophobicContact CD2-CB 4.26Å; L140-V153 HydrophobicContact CD1-CG2 4.39Å; L140-V153 HydrophobicContact CD2-CG2 3.89Å; L140-L168 HydrophobicContact CD2-CD1 3.79Å; L140-L168 HydrophobicContact CG-CD1 4.01Å; L140-D208 HydrophobicContact CD1-CB 4.06Å; L140-D208 HydrophobicContact CD2-CB 3.77Å; L140-I209 HydrophobicContact CD1-CD1 4.42Å; L140-L212 HydrophobicContact CD1-CB 4.35Å; L140-L212 HydrophobicContact CD1-CD2 4.23Å |
| 141 | A | 98.5 | Very high | 97.7 | Very high | 21 Ų | 21 | 24.9 Ų | 24.9 | 17% | 0.174 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.9 | -42.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L137 L138 S145 S273 L277 | L137-A141 WeakPolarHBondContact O-CB 3.32Å; L137-A141 PolarHBondContact O-N 3.42Å; L138-A141 PolarHBondContact O-N 2.87Å; A141-S145 WeakPolarHBondContact O-CB 3.44Å; A141-S145 PolarHBondContact O-N 3.44Å; A141-S145 PolarHBondContact O-OG 3.27Å; A141-S273 WeakPolarHBondContact CA-OG 3.47Å; A141-L277 HydrophobicContact CB-CD1 3.69Å |
| 142 | Y | 98.4 | Very high | 97.5 | Very high | 30 Ų | 30 | 25 Ų | 25 | 12% | 0.118 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60 | -51.2 | 173.6 | 169.3 | -101.1 | 0 | 0 | 0 | 112 | L84 R85 H86 T89 L138 G139 L140 H144 S145 H146 | L84-Y142 HydrophobicContact CD2-CE1 4.18Å; R85-Y142 PolarHBondContact N-OH 3.14Å; H86-Y142 HydrophobicContact CB-CD1 3.52Å; H86-Y142 HydrophobicContact CB-CD2 3.9Å; H86-Y142 HydrophobicContact CB-CE1 3.73Å; H86-Y142 HydrophobicContact CB-CE2 4.09Å; H86-Y142 HydrophobicContact CB-CG 3.6Å; H86-Y142 AromaticContact CD2-CD2 3.76Å; H86-Y142 AromaticContact CD2-CG 3.72Å; H86-Y142 AromaticContact CG-CD1 3.97Å; H86-Y142 AromaticContact CG-CD2 4Å; H86-Y142 AromaticContact CG-CG 3.62Å; T89-Y142 HydrophobicContact CG2-CD1 4.13Å; T89-Y142 HydrophobicContact CG2-CE1 4.47Å; L138-Y142 PolarHBondContact O-N 2.94Å; L138-Y142 VanDerWaalsContact O-N 3.08Å; G139-Y142 WeakPolarHBondContact O-CB 3.37Å; G139-Y142 PolarHBondContact O-N 3.45Å; L140-Y142 VanDerWaalsContact C-N 3.29Å; L140-Y142 PolarHBondContact O-N 3.36Å; Y142-H144 PolarHBondContact O-N 3.01Å; Y142-S145 PolarHBondContact O-N 3.46Å; Y142-S145 PolarHBondContact O-OG 3.32Å; Y142-H146 AromaticContact CD2-CE1 3.61Å; Y142-H146 AromaticContact CD2-ND1 3.87Å; Y142-H146 AromaticContact CE2-CE1 3.25Å; Y142-H146 WeakPolarHBondContact CE2-CE1 3.43Å; Y142-H146 AromaticContact CE2-ND1 3.71Å; Y142-H146 AromaticContact CZ-CE1 3.95Å; Y142-H146 PolarHBondContact O-N 3.09Å; Y142-H146 PolarHBondContact O-ND1 2.87Å |
| 143 | L | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.7 | -48.5 | -180 | -65.3 | 175.7 | 0 | 0 | 0 | 112.1 | F80 L84 T89 G139 L140 S145 H146 N147 M148 H150 L168 F171 | F80-L143 HydrophobicContact CE1-CD2 4.26Å; F80-L143 HydrophobicContact CZ-CD2 4.11Å; L84-L143 HydrophobicContact CD2-CD2 3.65Å; T89-L143 HydrophobicContact CG2-CD2 4.45Å; G139-L143 WeakPolarHBondContact O-CG 3.37Å; G139-L143 PolarHBondContact O-N 3.23Å; L140-L143 HydrophobicContact CD2-CD1 4.37Å; L140-L143 PolarHBondContact O-N 2.98Å; L143-S145 VanDerWaalsContact C-N 3.3Å; L143-S145 PolarHBondContact O-N 3.14Å; L143-H146 CarbonylContact O-C 3.53Å; L143-H146 PolarHBondContact O-N 2.99Å; L143-N147 PolarHBondContact O-N 3Å; L143-M148 CarbonylContact C-O 3.57Å; L143-M148 HydrophobicContact CB-CB 4.21Å; L143-M148 HydrophobicContact CD2-CB 4.37Å; L143-M148 HydrophobicContact CD2-SD 4.46Å; L143-M148 WeakPolarHBondContact O-CB 3.42Å; L143-M148 PolarHBondContact O-N 3.06Å; L143-H150 HydrophobicContact CD1-CB 4.1Å; L143-L168 HydrophobicContact CD1-CD1 4.19Å; L143-F171 HydrophobicContact CD1-CE1 3.94Å; L143-F171 HydrophobicContact CD2-CE1 4.45Å |
| 144 | H | 97.8 | Very high | 97.5 | Very high | 33 Ų | 33 | 26.2 Ų | 26.2 | 15% | 0.153 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65 | -34.5 | -177.7 | -62.5 | 173.7 | 0 | 0 | 0 | 112 | L140 Y142 H146 N147 M148 G205 D208 S273 | L140-H144 WeakPolarHBondContact O-CB 3.49Å; L140-H144 PolarHBondContact O-CD2 3.41Å; L140-H144 PolarHBondContact O-N 2.98Å; Y142-H144 PolarHBondContact O-N 3.01Å; H144-H146 PolarHBondContact O-N 3.39Å; H144-N147 PolarHBondContact O-N 3.49Å; H144-M148 PolarHBondContact CD2-O 2.87Å; H144-G205 PolarHBondContact CE1-O 2.93Å; H144-G205 PolarHBondContact NE2-O 3.48Å; H144-G205 VanDerWaalsContact NE2-O 3.14Å; H144-D208 IonicContact NE2-OD2 3.76Å; H144-D208 PolarHBondContact NE2-OD2 2.97Å; H144-S273 PolarHBondContact ND1-OG 3.5Å |
| 145 | S | 97.1 | Very high | 97.4 | Very high | 84 Ų | 84 | 23.7 Ų | 23.7 | 59% | 0.587 | 13% | 0.127 | S | C | * | . | H | α-helix | trans | -64.6 | -17.9 | 175 | 71.5 | 0 | 0 | 0 | 0 | 113.9 | A141 Y142 L143 | A141-S145 WeakPolarHBondContact O-CB 3.44Å; A141-S145 PolarHBondContact O-N 3.44Å; A141-S145 PolarHBondContact O-OG 3.27Å; Y142-S145 PolarHBondContact O-N 3.46Å; Y142-S145 PolarHBondContact O-OG 3.32Å; L143-S145 VanDerWaalsContact C-N 3.3Å; L143-S145 PolarHBondContact O-N 3.14Å |
| 146 | H | 96.1 | Very high | 97.2 | Very high | 93 Ų | 93 | 24.7 Ų | 24.7 | 43% | 0.431 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 17.8 | 175.2 | -64.1 | 82.5 | 0 | 0 | 0 | 112.5 | Y142 L143 H144 M148 | Y142-H146 AromaticContact CD2-CE1 3.61Å; Y142-H146 AromaticContact CD2-ND1 3.87Å; Y142-H146 AromaticContact CE2-CE1 3.25Å; Y142-H146 WeakPolarHBondContact CE2-CE1 3.43Å; Y142-H146 AromaticContact CE2-ND1 3.71Å; Y142-H146 AromaticContact CZ-CE1 3.95Å; Y142-H146 PolarHBondContact O-N 3.09Å; Y142-H146 PolarHBondContact O-ND1 2.87Å; L143-H146 CarbonylContact O-C 3.53Å; L143-H146 PolarHBondContact O-N 2.99Å; H144-H146 PolarHBondContact O-N 3.39Å; H146-M148 HydrophobicContact CB-CE 3.41Å; H146-M148 VanDerWaalsContact CB-CE 3.41Å; H146-M148 HydrophobicContact CB-CG 4.29Å; H146-M148 PolarHBondContact O-N 3.3Å |
| 147 | N | 95.1 | Very high | 97 | Very high | 105 Ų | 105 | 25.4 Ų | 25.4 | 56% | 0.561 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 26.5 | -175.9 | -58.9 | -48 | 0 | 0 | 0 | 114.3 | L143 H144 A177 S178 | L143-N147 PolarHBondContact O-N 3Å; H144-N147 PolarHBondContact O-N 3.49Å; N147-A177 CarbonylContact O-C 3.54Å; N147-S178 WeakPolarHBondContact O-CB 3.44Å; N147-S178 PolarHBondContact O-N 3.44Å |
| 148 | M | 96.1 | Very high | 97 | Very high | 9 Ų | 9 | 25.4 Ų | 25.4 | 4% | 0.044 | 14% | 0.141 | C | C | . | . | trans | -97.9 | 148.8 | 175.1 | -61.3 | -170.7 | -114.8 | 0 | 0 | 110.7 | F80 L84 L143 H144 H146 S175 | F80-M148 HydrophobicContact CD2-SD 4.41Å; F80-M148 HydrophobicContact CE1-SD 4.39Å; F80-M148 HydrophobicContact CE2-CB 4.01Å; F80-M148 HydrophobicContact CE2-CG 4.12Å; F80-M148 HydrophobicContact CE2-SD 3.72Å; F80-M148 HydrophobicContact CZ-CB 3.99Å; F80-M148 HydrophobicContact CZ-CG 4.34Å; F80-M148 HydrophobicContact CZ-SD 3.72Å; L84-M148 HydrophobicContact CD2-CE 4.15Å; L84-M148 HydrophobicContact CD2-SD 3.98Å; L143-M148 CarbonylContact C-O 3.57Å; L143-M148 HydrophobicContact CB-CB 4.21Å; L143-M148 HydrophobicContact CD2-CB 4.37Å; L143-M148 HydrophobicContact CD2-SD 4.46Å; L143-M148 WeakPolarHBondContact O-CB 3.42Å; L143-M148 PolarHBondContact O-N 3.06Å; H144-M148 PolarHBondContact CD2-O 2.87Å; H146-M148 HydrophobicContact CB-CE 3.41Å; H146-M148 VanDerWaalsContact CB-CE 3.41Å; H146-M148 HydrophobicContact CB-CG 4.29Å; H146-M148 PolarHBondContact O-N 3.3Å; M148-S175 WeakPolarHBondContact CA-O 3.47Å | ||
| 149 | I | 96.8 | Very high | 97 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | B | Isolated β-bridge | trans | -128.8 | 130.9 | 178.6 | -43.8 | 173.5 | 0 | 0 | 0 | 108.7 | R151 A174 S175 A180 Y203 V207 D208 | I149-R151 HydrophobicContact CB-CG 3.94Å; I149-R151 HydrophobicContact CG2-CG 3.4Å; I149-R151 VanDerWaalsContact CG2-CG 3.4Å; I149-A174 CarbonylContact O-C 3.46Å; I149-A174 VanDerWaalsContact O-CA 3.24Å; I149-A174 WeakPolarHBondContact O-CA 3.32Å; I149-A174 WeakPolarHBondContact O-CB 3.35Å; I149-S175 PolarHBondContact N-O 2.87Å; I149-S175 PolarHBondContact O-N 3.33Å; I149-A180 HydrophobicContact CD1-CB 4.01Å; I149-Y203 HydrophobicContact CD1-CD2 4.46Å; I149-Y203 HydrophobicContact CD1-CE2 4.45Å; I149-V207 HydrophobicContact CG2-CG2 3.59Å; I149-D208 WeakPolarHBondContact CG2-OD2 3.4Å |
| 150 | H | 97 | Very high | 97 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -75.5 | -47.2 | -179.4 | -172.2 | -49 | 0 | 0 | 0 | 112.7 | L140 L143 D152 V153 A169 D170 F171 A174 D208 | L140-H150 HydrophobicContact CD2-CB 4.26Å; L143-H150 HydrophobicContact CD1-CB 4.1Å; H150-D152 PolarHBondContact ND1-N 2.86Å; H150-D152 PolarHBondContact O-N 3.38Å; H150-V153 HydrophobicContact CB-CG2 4.09Å; H150-A169 PolarHBondContact CE1-O 2.94Å; H150-A169 PolarHBondContact NE2-O 3.12Å; H150-A169 VanDerWaalsContact NE2-O 3.11Å; H150-D170 PolarHBondContact CE1-O 3.03Å; H150-F171 AromaticContact CD2-CE1 3.65Å; H150-A174 WeakPolarHBondContact O-CA 3.46Å; H150-D208 WeakPolarHBondContact CB-OD2 3.34Å; H150-D208 PolarHBondContact N-OD2 2.82Å | ||
| 151 | R | 95.4 | Very high | 96.8 | Very high | 29 Ų | 29 | 25.2 Ų | 25.2 | 11% | 0.109 | 14% | 0.141 | C | C | . | . | trans | 64.5 | 8.8 | 176.5 | -51.2 | -173.1 | -67.1 | -178.3 | 1 | 117.3 | I149 S173 A174 S182 V184 G185 Y203 D208 | I149-R151 HydrophobicContact CB-CG 3.94Å; I149-R151 HydrophobicContact CG2-CG 3.4Å; I149-R151 VanDerWaalsContact CG2-CG 3.4Å; R151-S173 PolarHBondContact NE-O 3.12Å; R151-S173 PolarHBondContact NH2-O 3.44Å; R151-A174 PolarHBondContact NH2-O 3.45Å; R151-S182 PolarHBondContact NH1-OG 2.76Å; R151-V184 HydrophobicContact CB-CG2 4.02Å; R151-V184 HydrophobicContact CG-CG2 4.49Å; R151-G185 WeakPolarHBondContact O-CA 3.38Å; R151-Y203 WeakPolarHBondContact CD-OH 3.46Å; R151-Y203 HydrophobicContact CG-CE2 4.37Å; R151-Y203 PolarHBondContact NH1-OH 3.45Å; R151-Y203 VanDerWaalsContact NH1-OH 3.07Å; R151-D208 WeakPolarHBondContact CA-OD1 3.44Å; R151-D208 PolarHBondContact N-OD1 2.74Å | ||
| 152 | D | 95.5 | Very high | 96.5 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 4% | 0.037 | 15% | 0.146 | C | C | . | . | trans | -150.2 | 43.7 | 177 | -158.8 | 40.3 | 0 | 0 | 0 | 112.1 | H150 K154 N157 T186 | H150-D152 PolarHBondContact ND1-N 2.86Å; H150-D152 PolarHBondContact O-N 3.38Å; D152-K154 PolarHBondContact O-N 2.89Å; D152-K154 IonicContact OD1-NZ 2.78Å; D152-K154 IonicContact OD2-NZ 2.71Å; D152-K154 PolarHBondContact OD2-NZ 3.13Å; D152-N157 PolarHBondContact O-ND2 3.44Å; D152-N157 PolarHBondContact OD2-ND2 3.2Å; D152-T186 WeakPolarHBondContact OD1-CB 3.39Å; D152-T186 PolarHBondContact OD1-N 2.74Å; D152-T186 PolarHBondContact OD1-OG1 2.99Å | ||
| 153 | V | 98.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | trans | -72.3 | 122.4 | 175.4 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | L140 H150 I158 D208 S211 L212 | L140-V153 HydrophobicContact CD1-CG2 4.39Å; L140-V153 HydrophobicContact CD2-CG2 3.89Å; H150-V153 HydrophobicContact CB-CG2 4.09Å; V153-I158 HydrophobicContact CG1-CD1 4.44Å; V153-D208 HydrophobicContact CG2-CB 4.07Å; V153-S211 WeakPolarHBondContact O-CB 3.3Å; V153-L212 HydrophobicContact CG1-CB 4.45Å; V153-L212 HydrophobicContact CG1-CD1 4.44Å | ||
| 154 | K | 97.3 | Very high | 96 | Very high | 28 Ų | 28 | 33.3 Ų | 33.3 | 12% | 0.122 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -160.4 | 164.2 | 177.2 | 63.7 | -163.7 | -175.2 | -144.1 | 0 | 109.6 | D152 G156 N157 I158 T186 W189 T215 | D152-K154 PolarHBondContact O-N 2.89Å; D152-K154 IonicContact OD1-NZ 2.78Å; D152-K154 IonicContact OD2-NZ 2.71Å; D152-K154 PolarHBondContact OD2-NZ 3.13Å; K154-G156 PolarHBondContact O-N 3.08Å; K154-G156 VanDerWaalsContact O-N 3.1Å; K154-N157 WeakPolarHBondContact CE-ND2 3.42Å; K154-N157 HydrophobicContact CG-CB 4.13Å; K154-N157 PolarHBondContact O-N 2.99Å; K154-I158 PolarHBondContact O-N 2.94Å; K154-T186 PolarHBondContact NZ-OG1 3.29Å; K154-W189 HydrophobicContact CB-CD2 3.95Å; K154-W189 HydrophobicContact CB-CG 4.1Å; K154-W189 HydrophobicContact CB-CZ2 4.1Å; K154-T215 WeakPolarHBondContact CA-OG1 3.45Å |
| 155 | A | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -60.1 | -28 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A113 S114 N157 I158 T215 E218 L219 | A113-A155 HydrophobicContact CB-CB 4.07Å; A113-A155 WeakPolarHBondContact CB-O 3.42Å; A113-A155 PolarHBondContact N-O 2.81Å; S114-A155 PolarHBondContact N-O 3.19Å; S114-A155 VanDerWaalsContact N-O 3.13Å; A155-N157 VanDerWaalsContact C-N 3.27Å; A155-N157 PolarHBondContact O-N 3.34Å; A155-I158 PolarHBondContact O-N 3.4Å; A155-T215 HydrophobicContact CB-CG2 4.21Å; A155-E218 HydrophobicContact CB-CG 4.19Å; A155-E218 WeakPolarHBondContact CB-OE1 3.48Å; A155-E218 WeakPolarHBondContact CB-OE2 3.43Å; A155-E218 PolarHBondContact N-OE2 3.48Å; A155-L219 HydrophobicContact CB-CD2 3.88Å |
| 156 | G | 93.8 | Very high | 96.1 | Very high | 26 Ų | 26 | 31.6 Ų | 31.6 | 27% | 0.268 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -67 | -23.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S112 K154 | S112-G156 WeakPolarHBondContact CB-O 3.37Å; K154-G156 PolarHBondContact O-N 3.08Å; K154-G156 VanDerWaalsContact O-N 3.1Å |
| 157 | N | 96.4 | Very high | 96.2 | Very high | 14 Ų | 14 | 27.7 Ų | 27.7 | 8% | 0.075 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -105.4 | 6.4 | -177.6 | -70.2 | -3.9 | 0 | 0 | 0 | 112.8 | D152 K154 A155 A169 | D152-N157 PolarHBondContact O-ND2 3.44Å; D152-N157 PolarHBondContact OD2-ND2 3.2Å; K154-N157 WeakPolarHBondContact CE-ND2 3.42Å; K154-N157 HydrophobicContact CG-CB 4.13Å; K154-N157 PolarHBondContact O-N 2.99Å; A155-N157 VanDerWaalsContact C-N 3.27Å; A155-N157 PolarHBondContact O-N 3.34Å; N157-A169 PolarHBondContact O-N 3.44Å |
| 158 | I | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 109.9 | 171.9 | -58.7 | 173.1 | 0 | 0 | 0 | 107.5 | S112 A113 I132 A136 V153 K154 A155 V166 L168 T215 | S112-I158 CarbonylContact C-O 3.56Å; S112-I158 WeakPolarHBondContact CA-O 3.22Å; A113-I158 HydrophobicContact CB-CB 4.41Å; A113-I158 PolarHBondContact N-O 3.41Å; I132-I158 HydrophobicContact CG2-CG2 3.77Å; A136-I158 HydrophobicContact CB-CD1 3.92Å; A136-I158 HydrophobicContact CB-CG1 4.43Å; V153-I158 HydrophobicContact CG1-CD1 4.44Å; K154-I158 PolarHBondContact O-N 2.94Å; A155-I158 PolarHBondContact O-N 3.4Å; I158-V166 HydrophobicContact CG2-CG1 3.49Å; I158-V166 VanDerWaalsContact CG2-CG1 3.49Å; I158-L168 HydrophobicContact CG1-CD2 4.16Å; I158-T215 HydrophobicContact CD1-CG2 3.81Å |
| 159 | L | 97.8 | Very high | 96.3 | Very high | 36 Ų | 36 | 22.7 Ų | 22.7 | 19% | 0.188 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 152.9 | -175.8 | -51.6 | -175.3 | 0 | 0 | 0 | 111.5 | I90 C109 G111 V166 K167 A169 | I90-L159 HydrophobicContact CD1-CD1 4.14Å; C109-L159 HydrophobicContact CB-CB 3.72Å; C109-L159 HydrophobicContact CB-CD1 4.07Å; C109-L159 HydrophobicContact CB-CG 4.49Å; G111-L159 WeakPolarHBondContact O-CA 3.39Å; L159-V166 CarbonylContact O-C 3.5Å; L159-V166 WeakPolarHBondContact O-CA 3.49Å; L159-K167 HydrophobicContact CB-CB 4.37Å; L159-K167 PolarHBondContact N-O 3.25Å; L159-K167 PolarHBondContact O-N 3.23Å; L159-A169 HydrophobicContact CD1-CB 3.51Å; L159-A169 HydrophobicContact CG-CB 3.74Å |
| 160 | L | 97.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 128.1 | 172.1 | -70.7 | 82.4 | 0 | 0 | 0 | 109.8 | C109 L110 G111 A113 L116 Q165 L291 I295 | C109-L160 WeakPolarHBondContact CB-O 3.45Å; L110-L160 WeakPolarHBondContact CB-O 3.33Å; L110-L160 PolarHBondContact N-O 2.93Å; G111-L160 PolarHBondContact O-N 3.45Å; A113-L160 HydrophobicContact CB-CD1 4.35Å; L116-L160 HydrophobicContact CD1-CD1 3.56Å; L116-L160 HydrophobicContact CD1-CD2 4.05Å; L116-L160 HydrophobicContact CD1-CG 4.34Å; L160-Q165 WeakPolarHBondContact CA-O 3.31Å; L160-L291 HydrophobicContact CD2-CD2 4.25Å; L160-I295 HydrophobicContact CB-CD1 4.45Å; L160-I295 HydrophobicContact CD2-CD1 4.47Å; L160-I295 HydrophobicContact CD2-CG1 4.5Å |
| 161 | T | 95.5 | Very high | 95.7 | Very high | 12 Ų | 12 | 25.5 Ų | 25.5 | 7% | 0.074 | 14% | 0.138 | C | C | . | . | trans | -73.8 | 162.3 | 167.7 | 64.5 | 0 | 0 | 0 | 0 | 110 | L163 G164 Q165 K167 I295 | T161-L163 PolarHBondContact O-N 3.3Å; T161-G164 PolarHBondContact O-N 2.88Å; T161-Q165 HydrophobicContact CG2-CB 4.3Å; T161-Q165 PolarHBondContact N-O 2.92Å; T161-Q165 WeakPolarHBondContact OG1-CA 3.43Å; T161-Q165 VanDerWaalsContact OG1-CB 3.26Å; T161-Q165 WeakPolarHBondContact OG1-CB 3.37Å; T161-Q165 PolarHBondContact OG1-N 3.04Å; T161-Q165 PolarHBondContact OG1-O 3.1Å; T161-K167 HydrophobicContact CG2-CG 4.01Å; T161-I295 WeakPolarHBondContact O-CD1 3.49Å | ||
| 162 | E | 91.5 | Very high | 95.2 | Very high | 60 Ų | 60 | 25.4 Ų | 25.4 | 28% | 0.28 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -28.6 | 176.9 | -176 | 168.4 | -144.6 | 0 | 0 | 113.1 | G164 K299 Q319 | E162-G164 PolarHBondContact O-N 3.27Å; E162-K299 IonicContact OE1-NZ 3.76Å; E162-K299 PolarHBondContact OE1-NZ 2.8Å; E162-Q319 PolarHBondContact OE2-OE1 2.77Å; E162-Q319 VanDerWaalsContact OE2-OE1 3.09Å |
| 163 | L | 93 | Very high | 94.9 | Very high | 148 Ų | 148 | 26.6 Ų | 26.6 | 78% | 0.775 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 5.4 | 177.9 | -59.5 | 178.7 | 0 | 0 | 0 | 113.7 | T161 | T161-L163 PolarHBondContact O-N 3.3Š|
| 164 | G | 94.1 | Very high | 94.5 | Very high | 13 Ų | 13 | 27.4 Ų | 27.4 | 13% | 0.134 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 79.5 | 14.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T161 E162 L291 | T161-G164 PolarHBondContact O-N 2.88Å; E162-G164 PolarHBondContact O-N 3.27Å; G164-L291 WeakPolarHBondContact O-CD1 3.38Å |
| 165 | Q | 97.4 | Very high | 94.2 | Very high | 75 Ų | 75 | 26.9 Ų | 26.9 | 35% | 0.35 | 16% | 0.162 | S | C | . | . | trans | -82.4 | 131.7 | 173 | -169.5 | 173.8 | 37.1 | 0 | 0 | 110.9 | P87 L160 T161 K167 | P87-Q165 VanDerWaalsContact CB-NE2 3.29Å; P87-Q165 PolarHBondContact O-NE2 3.38Å; L160-Q165 WeakPolarHBondContact CA-O 3.31Å; T161-Q165 HydrophobicContact CG2-CB 4.3Å; T161-Q165 PolarHBondContact N-O 2.92Å; T161-Q165 WeakPolarHBondContact OG1-CA 3.43Å; T161-Q165 VanDerWaalsContact OG1-CB 3.26Å; T161-Q165 WeakPolarHBondContact OG1-CB 3.37Å; T161-Q165 PolarHBondContact OG1-N 3.04Å; T161-Q165 PolarHBondContact OG1-O 3.1Å; Q165-K167 VanDerWaalsContact OE1-CE 3.24Å | ||
| 166 | V | 98.4 | Very high | 93.8 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 3% | 0.03 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 134.1 | 178.5 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | N88 I158 L159 L291 | N88-V166 WeakPolarHBondContact CA-O 3.34Å; N88-V166 PolarHBondContact ND2-O 3.38Å; I158-V166 HydrophobicContact CG2-CG1 3.49Å; I158-V166 VanDerWaalsContact CG2-CG1 3.49Å; L159-V166 CarbonylContact O-C 3.5Å; L159-V166 WeakPolarHBondContact O-CA 3.49Å; V166-L291 HydrophobicContact CG2-CD1 3.6Å |
| 167 | K | 98.4 | Very high | 93.3 | Very high | 12 Ų | 12 | 33.5 Ų | 33.5 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 127.4 | -176.9 | -58.8 | -75.6 | -176.6 | 155.6 | 0 | 110.9 | P87 I90 E107 L159 T161 Q165 | P87-K167 WeakPolarHBondContact O-CD 3.46Å; P87-K167 WeakPolarHBondContact O-CE 3.29Å; P87-K167 PolarHBondContact O-NZ 3.27Å; I90-K167 HydrophobicContact CD1-CB 4.18Å; I90-K167 HydrophobicContact CD1-CG 4.41Å; E107-K167 VanDerWaalsContact CD-NZ 3.34Å; E107-K167 VanDerWaalsContact OE1-CD 3.3Å; E107-K167 WeakPolarHBondContact OE1-CD 3.45Å; E107-K167 WeakPolarHBondContact OE1-CE 3.47Å; E107-K167 IonicContact OE1-NZ 2.8Å; E107-K167 PolarHBondContact OE1-NZ 3.41Å; E107-K167 VanDerWaalsContact OE2-CE 3.29Å; E107-K167 WeakPolarHBondContact OE2-CE 3.31Å; E107-K167 IonicContact OE2-NZ 3.99Å; E107-K167 PolarHBondContact OE2-NZ 3.05Å; E107-K167 VanDerWaalsContact OE2-NZ 3.13Å; L159-K167 HydrophobicContact CB-CB 4.37Å; L159-K167 PolarHBondContact N-O 3.25Å; L159-K167 PolarHBondContact O-N 3.23Å; T161-K167 HydrophobicContact CG2-CG 4.01Å; Q165-K167 VanDerWaalsContact OE1-CE 3.24Å |
| 168 | L | 98.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 134.6 | 164 | -65.6 | 177.7 | 0 | 0 | 0 | 109.9 | N88 I90 A136 L140 L143 I158 F171 | N88-L168 PolarHBondContact O-N 3.26Å; I90-L168 PolarHBondContact N-O 2.99Å; A136-L168 HydrophobicContact CB-CD2 4.03Å; L140-L168 HydrophobicContact CD2-CD1 3.79Å; L140-L168 HydrophobicContact CG-CD1 4.01Å; L143-L168 HydrophobicContact CD1-CD1 4.19Å; I158-L168 HydrophobicContact CG1-CD2 4.16Å; L168-F171 HydrophobicContact CB-CZ 4.12Å |
| 169 | A | 94.6 | Very high | 92.2 | Very high | 8 Ų | 8 | 37.3 Ų | 37.3 | 7% | 0.066 | 22% | 0.224 | C | C | . | . | trans | -138.1 | 174 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I90 H150 N157 L159 | I90-A169 HydrophobicContact CB-CB 4.28Å; I90-A169 HydrophobicContact CG2-CB 4.45Å; H150-A169 PolarHBondContact CE1-O 2.94Å; H150-A169 PolarHBondContact NE2-O 3.12Å; H150-A169 VanDerWaalsContact NE2-O 3.11Å; N157-A169 PolarHBondContact O-N 3.44Å; L159-A169 HydrophobicContact CD1-CB 3.51Å; L159-A169 HydrophobicContact CG-CB 3.74Å | ||
| 170 | D | 89.4 | Confident | 91.7 | Very high | 54 Ų | 54 | 36 Ų | 36 | 29% | 0.289 | 22% | 0.218 | S | C | . | . | trans | 59.7 | 76.4 | -178.8 | -161.3 | 18.9 | 0 | 0 | 0 | 114.3 | K58 H150 G172 | K58-D170 IonicContact NZ-OD1 3.05Å; K58-D170 PolarHBondContact NZ-OD1 2.87Å; H150-D170 PolarHBondContact CE1-O 3.03Å; D170-G172 VanDerWaalsContact C-N 3.29Å; D170-G172 PolarHBondContact O-N 3.13Å | ||
| 171 | F | 91.6 | Very high | 91 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -90.2 | 15.2 | -179.7 | -62.6 | -81 | 0 | 0 | 0 | 113.4 | F80 L81 L84 T89 I90 L143 H150 L168 S173 A174 | F80-F171 HydrophobicContact CD1-CB 3.6Å; F80-F171 AromaticContact CD1-CD1 3.75Å; F80-F171 HydrophobicContact CD1-CD1 3.75Å; F80-F171 AromaticContact CD1-CG 3.7Å; F80-F171 HydrophobicContact CD1-CG 3.7Å; F80-F171 HydrophobicContact CE1-CB 3.94Å; F80-F171 AromaticContact CE1-CD1 3.16Å; F80-F171 HydrophobicContact CE1-CD1 3.16Å; F80-F171 AromaticContact CE1-CE1 3.74Å; F80-F171 HydrophobicContact CE1-CE1 3.74Å; F80-F171 AromaticContact CE1-CG 3.64Å; F80-F171 HydrophobicContact CE1-CG 3.64Å; F80-F171 HydrophobicContact CG-CB 4.34Å; F80-F171 AromaticContact CZ-CD1 3.97Å; F80-F171 HydrophobicContact CZ-CD1 3.97Å; F80-F171 HydrophobicContact CZ-CE1 4.5Å; L81-F171 HydrophobicContact CD2-CD2 3.47Å; L81-F171 VanDerWaalsContact CD2-CD2 3.47Å; L81-F171 HydrophobicContact CD2-CE2 3.93Å; L81-F171 HydrophobicContact CD2-CG 4.38Å; L81-F171 HydrophobicContact CG-CD2 4.23Å; L84-F171 HydrophobicContact CD1-CD1 4.35Å; L84-F171 HydrophobicContact CD1-CD2 4.03Å; L84-F171 HydrophobicContact CD1-CE1 3.98Å; L84-F171 HydrophobicContact CD1-CE2 3.65Å; L84-F171 HydrophobicContact CD1-CG 4.35Å; L84-F171 HydrophobicContact CD1-CZ 3.61Å; T89-F171 HydrophobicContact CG2-CZ 4.32Å; I90-F171 HydrophobicContact CG2-CD2 4.43Å; I90-F171 HydrophobicContact CG2-CE2 3.93Å; L143-F171 HydrophobicContact CD1-CE1 3.94Å; L143-F171 HydrophobicContact CD2-CE1 4.45Å; H150-F171 AromaticContact CD2-CE1 3.65Å; L168-F171 HydrophobicContact CB-CZ 4.12Å; F171-S173 PolarHBondContact O-N 2.85Å; F171-S173 VanDerWaalsContact O-N 3.14Å; F171-A174 HydrophobicContact CB-CB 3.99Å; F171-A174 HydrophobicContact CD1-CB 4.14Å; F171-A174 VanDerWaalsContact O-CB 3.28Å; F171-A174 WeakPolarHBondContact O-CB 3.42Å; F171-A174 PolarHBondContact O-N 3.16Å |
| 172 | G | 85.8 | Confident | 90.3 | Very high | 27 Ų | 27 | 42.2 Ų | 42.2 | 28% | 0.278 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -61.5 | -22.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | D170 | D170-G172 VanDerWaalsContact C-N 3.29Å; D170-G172 PolarHBondContact O-N 3.13Å |
| 173 | S | 88.1 | Confident | 89.9 | Confident | 33 Ų | 33 | 40.8 Ų | 40.8 | 23% | 0.231 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -99.9 | 0.1 | 174 | -62.2 | 0 | 0 | 0 | 0 | 113.6 | R151 F171 | R151-S173 PolarHBondContact NE-O 3.12Å; R151-S173 PolarHBondContact NH2-O 3.44Å; F171-S173 PolarHBondContact O-N 2.85Å; F171-S173 VanDerWaalsContact O-N 3.14Å |
| 174 | A | 90.9 | Very high | 89.5 | Confident | 18 Ų | 18 | 35.1 Ų | 35.1 | 15% | 0.149 | 22% | 0.218 | C | C | . | . | trans | -70.3 | 161.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F80 I149 H150 R151 F171 | F80-A174 HydrophobicContact CD1-CB 4.15Å; F80-A174 HydrophobicContact CD2-CB 3.7Å; F80-A174 HydrophobicContact CE1-CB 3.89Å; F80-A174 HydrophobicContact CE2-CB 3.43Å; F80-A174 VanDerWaalsContact CE2-CB 3.43Å; F80-A174 HydrophobicContact CG-CB 4.07Å; F80-A174 HydrophobicContact CZ-CB 3.53Å; I149-A174 CarbonylContact O-C 3.46Å; I149-A174 VanDerWaalsContact O-CA 3.24Å; I149-A174 WeakPolarHBondContact O-CA 3.32Å; I149-A174 WeakPolarHBondContact O-CB 3.35Å; H150-A174 WeakPolarHBondContact O-CA 3.46Å; R151-A174 PolarHBondContact NH2-O 3.45Å; F171-A174 HydrophobicContact CB-CB 3.99Å; F171-A174 HydrophobicContact CD1-CB 4.14Å; F171-A174 VanDerWaalsContact O-CB 3.28Å; F171-A174 WeakPolarHBondContact O-CB 3.42Å; F171-A174 PolarHBondContact O-N 3.16Å | ||
| 175 | S | 90.5 | Very high | 89.1 | Confident | 17 Ų | 17 | 35.4 Ų | 35.4 | 12% | 0.119 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -121.3 | 131.1 | 174.9 | -171.7 | 0 | 0 | 0 | 0 | 110.1 | M148 I149 A177 | M148-S175 WeakPolarHBondContact CA-O 3.47Å; I149-S175 PolarHBondContact N-O 2.87Å; I149-S175 PolarHBondContact O-N 3.33Å; S175-A177 WeakPolarHBondContact CB-O 3.45Å; S175-A177 PolarHBondContact O-N 3.12Å; S175-A177 PolarHBondContact OG-N 3.06Å; S175-A177 PolarHBondContact OG-O 3.38Å |
| 176 | I | 87.5 | Confident | 88.6 | Confident | 111 Ų | 111 | 33.1 Ų | 33.1 | 57% | 0.569 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -79.5 | -1.8 | 170.1 | 60.3 | 171.4 | 0 | 0 | 0 | 113.1 | F80 | F80-I176 HydrophobicContact CD2-CG2 3.62Å; F80-I176 HydrophobicContact CE2-CG2 4.25Å |
| 177 | A | 83.7 | Confident | 88.1 | Confident | 53 Ų | 53 | 33.7 Ų | 33.7 | 44% | 0.438 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -131.1 | 141.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | N147 S175 | N147-A177 CarbonylContact O-C 3.54Å; S175-A177 WeakPolarHBondContact CB-O 3.45Å; S175-A177 PolarHBondContact O-N 3.12Å; S175-A177 PolarHBondContact OG-N 3.06Å; S175-A177 PolarHBondContact OG-O 3.38Å |
| 178 | S | 86 | Confident | 87.8 | Confident | 38 Ų | 38 | 34.4 Ų | 34.4 | 27% | 0.266 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -132.1 | 128.6 | 171.3 | -163.8 | 0 | 0 | 0 | 0 | 108.1 | N147 | N147-S178 WeakPolarHBondContact O-CB 3.44Å; N147-S178 PolarHBondContact O-N 3.44Å |
| 179 | P | 86.4 | Confident | 87.8 | Confident | 58 Ų | 58 | 35.2 Ų | 35.2 | 38% | 0.377 | 22% | 0.222 | S | C | . | . | S | Bend | cis | -72.3 | 154.4 | 2.6 | -16.6 | 31.5 | 0 | 0 | 0 | 114.2 | Q202 Y203 E204 | P179-Q202 HydrophobicContact CB-CB 3.75Å; P179-Q202 HydrophobicContact CB-CG 4.26Å; P179-Y203 CarbonylContact C-O 3.53Å; P179-Y203 WeakPolarHBondContact CA-O 3.35Å; P179-E204 HydrophobicContact CB-CG 4.38Å; P179-E204 HydrophobicContact CG-CG 4.32Å |
| 180 | A | 86.8 | Confident | 87.8 | Confident | 8 Ų | 8 | 35.2 Ų | 35.2 | 7% | 0.066 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -114.8 | 161.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | I149 Q202 Y203 | I149-A180 HydrophobicContact CD1-CB 4.01Å; A180-Q202 CarbonylContact O-C 3.58Å; A180-Q202 WeakPolarHBondContact O-CA 3.48Å; A180-Y203 HydrophobicContact CB-CD2 4.37Å; A180-Y203 HydrophobicContact CB-CE2 3.76Å; A180-Y203 PolarHBondContact N-O 3.48Å; A180-Y203 WeakPolarHBondContact O-CD1 3.14Å; A180-Y203 PolarHBondContact O-N 2.87Å |
| 181 | N | 82.6 | Confident | 88.1 | Confident | 100 Ų | 100 | 32.7 Ų | 32.7 | 54% | 0.535 | 21% | 0.207 | S | C | . | . | trans | -132.4 | -6.6 | -176.5 | 63.7 | -3.2 | 0 | 0 | 0 | 114.2 | G201 | N181-G201 WeakPolarHBondContact CB-O 3.46Š| ||
| 182 | S | 81.5 | Confident | 88.1 | Confident | 43 Ų | 43 | 32.7 Ų | 32.7 | 30% | 0.301 | 21% | 0.207 | S | C | . | . | trans | -79.3 | 138 | -173.9 | 62.9 | 0 | 0 | 0 | 0 | 112.2 | R151 V184 Y203 | R151-S182 PolarHBondContact NH1-OG 2.76Å; S182-V184 PolarHBondContact O-N 2.85Å; S182-V184 VanDerWaalsContact O-N 3.1Å; S182-Y203 PolarHBondContact O-OH 3.15Å | ||
| 183 | F | 82.5 | Confident | 88.3 | Confident | 30 Ų | 30 | 32.5 Ų | 32.5 | 13% | 0.132 | 20% | 0.199 | C | C | . | . | trans | -77.8 | 94 | 176.2 | -174.8 | -107.3 | 0 | 0 | 0 | 112.1 | M190 M198 L235 M464 K468 | F183-M190 HydrophobicContact CD2-CE 3.68Å; F183-M190 HydrophobicContact CE2-CE 3.28Å; F183-M190 HydrophobicContact CE2-SD 4.31Å; F183-M190 HydrophobicContact CG-CE 4.45Å; F183-M190 HydrophobicContact CZ-CE 3.76Å; F183-M190 HydrophobicContact CZ-SD 4.25Å; F183-M198 HydrophobicContact CB-CG 4.28Å; F183-M198 HydrophobicContact CD2-CG 3.35Å; F183-M198 HydrophobicContact CD2-SD 3.74Å; F183-M198 HydrophobicContact CE1-SD 4.48Å; F183-M198 HydrophobicContact CE2-CG 3.76Å; F183-M198 HydrophobicContact CE2-SD 3.47Å; F183-M198 WeakPolarHBondContact CE2-SD 3.46Å; F183-M198 HydrophobicContact CG-CG 3.87Å; F183-M198 HydrophobicContact CG-SD 4.35Å; F183-M198 HydrophobicContact CZ-SD 3.89Å; F183-L235 HydrophobicContact CE2-CD2 4.48Å; F183-L235 HydrophobicContact CZ-CD1 3.8Å; F183-L235 HydrophobicContact CZ-CD2 4.15Å; F183-M464 HydrophobicContact CE1-CE 3.66Å; F183-M464 HydrophobicContact CZ-CE 4.26Å; F183-K468 HydrophobicContact CD1-CG 4.33Å; F183-K468 VanDerWaalsContact O-CE 3.32Å; F183-K468 WeakPolarHBondContact O-CE 3.4Å; F183-K468 PolarHBondContact O-NZ 3.44Å | ||
| 184 | V | 84.8 | Confident | 88.4 | Confident | 30 Ų | 30 | 31.2 Ų | 31.2 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | trans | -138.2 | 162.9 | -178.7 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | R151 S182 M190 | R151-V184 HydrophobicContact CB-CG2 4.02Å; R151-V184 HydrophobicContact CG-CG2 4.49Å; S182-V184 PolarHBondContact O-N 2.85Å; S182-V184 VanDerWaalsContact O-N 3.1Å; V184-M190 WeakPolarHBondContact O-CE 3.39Å | ||
| 185 | G | 86.1 | Confident | 88 | Confident | 18 Ų | 18 | 31 Ų | 31 | 19% | 0.186 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 117.5 | 171.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R151 | R151-G185 WeakPolarHBondContact O-CA 3.38Š|
| 186 | T | 86.9 | Confident | 87.4 | Confident | 27 Ų | 27 | 35.6 Ų | 35.6 | 17% | 0.166 | 21% | 0.209 | C | C | . | . | trans | -88.3 | 119.8 | 174.9 | -55.7 | 0 | 0 | 0 | 0 | 110.1 | D152 K154 Y188 W189 M190 | D152-T186 WeakPolarHBondContact OD1-CB 3.39Å; D152-T186 PolarHBondContact OD1-N 2.74Å; D152-T186 PolarHBondContact OD1-OG1 2.99Å; K154-T186 PolarHBondContact NZ-OG1 3.29Å; T186-Y188 PolarHBondContact O-N 3.18Å; T186-W189 HydrophobicContact CG2-CE3 3.48Å; T186-W189 VanDerWaalsContact CG2-CE3 3.48Å; T186-W189 HydrophobicContact CG2-CZ3 3.44Å; T186-W189 VanDerWaalsContact CG2-CZ3 3.44Å; T186-W189 PolarHBondContact O-N 3.17Å; T186-M190 WeakPolarHBondContact O-CG 3.4Å; T186-M190 PolarHBondContact O-N 3Å | ||
| 187 | P | 87.4 | Confident | 86.5 | Confident | 18 Ų | 18 | 30.7 Ų | 30.7 | 12% | 0.117 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -42.8 | -49 | -166 | -34.9 | 36.1 | 0 | 0 | 0 | 117 | W189 M190 A231 L235 I238 | P187-W189 PolarHBondContact O-N 3.25Å; P187-M190 WeakPolarHBondContact O-CB 3.46Å; P187-M190 PolarHBondContact O-N 2.97Å; P187-A231 HydrophobicContact CB-CB 3.98Å; P187-A231 HydrophobicContact CG-CB 3.77Å; P187-L235 HydrophobicContact CB-CD2 4.1Å; P187-L235 HydrophobicContact CB-CG 4.14Å; P187-I238 VanDerWaalsContact O-CD1 3.3Å; P187-I238 WeakPolarHBondContact O-CD1 3.49Å |
| 188 | Y | 92.7 | Very high | 85.3 | Confident | 27 Ų | 27 | 30 Ų | 30 | 11% | 0.106 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -68.7 | -18.4 | -174.8 | -46.8 | -80.2 | 0 | 0 | 0 | 114.2 | T186 P224 L226 F227 M229 A234 | T186-Y188 PolarHBondContact O-N 3.18Å; Y188-P224 HydrophobicContact CG-CG 4.34Å; Y188-L226 WeakPolarHBondContact CE1-O 3.44Å; Y188-F227 HydrophobicContact CD2-CD2 4.34Å; Y188-F227 HydrophobicContact CE2-CD2 4.33Å; Y188-M229 PolarHBondContact OH-O 2.82Å; Y188-A234 HydrophobicContact CD1-CB 3.6Å; Y188-A234 HydrophobicContact CE1-CB 3.58Å |
| 189 | W | 97.6 | Very high | 83.5 | Confident | 17 Ų | 17 | 32.9 Ų | 32.9 | 6% | 0.064 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -103.5 | -2.6 | 177.5 | -66.4 | -104.8 | 0 | 0 | 0 | 112.6 | K154 T186 P187 S211 I214 E218 P224 | K154-W189 HydrophobicContact CB-CD2 3.95Å; K154-W189 HydrophobicContact CB-CG 4.1Å; K154-W189 HydrophobicContact CB-CZ2 4.1Å; T186-W189 HydrophobicContact CG2-CE3 3.48Å; T186-W189 VanDerWaalsContact CG2-CE3 3.48Å; T186-W189 HydrophobicContact CG2-CZ3 3.44Å; T186-W189 VanDerWaalsContact CG2-CZ3 3.44Å; T186-W189 PolarHBondContact O-N 3.17Å; P187-W189 PolarHBondContact O-N 3.25Å; W189-S211 WeakPolarHBondContact O-CA 3.42Å; W189-S211 WeakPolarHBondContact O-CB 3.39Å; W189-S211 PolarHBondContact O-OG 2.91Å; W189-I214 HydrophobicContact CB-CG2 4.39Å; W189-I214 VanDerWaalsContact CD1-CG2 3.44Å; W189-I214 HydrophobicContact CD2-CG2 4.37Å; W189-I214 HydrophobicContact CG-CB 4.31Å; W189-I214 HydrophobicContact CG-CG2 3.81Å; W189-E218 VanDerWaalsContact CZ2-CD 3.5Å; W189-E218 HydrophobicContact CZ2-CG 4.39Å; W189-E218 WeakPolarHBondContact CZ2-OE2 3.41Å; W189-E218 PolarHBondContact NE1-OE2 3.3Å; W189-E218 VanDerWaalsContact NE1-OE2 3.11Å; W189-P224 HydrophobicContact CD2-CB 4.4Å; W189-P224 HydrophobicContact CE3-CG 4.5Å; W189-P224 HydrophobicContact CH2-CB 4.28Å; W189-P224 HydrophobicContact CH2-CG 3.53Å; W189-P224 HydrophobicContact CZ2-CB 3.87Å; W189-P224 HydrophobicContact CZ2-CG 3.57Å; W189-P224 HydrophobicContact CZ3-CG 4.02Å |
| 190 | M | 94.6 | Very high | 81.9 | Confident | 8 Ų | 8 | 37.6 Ų | 37.6 | 4% | 0.039 | 20% | 0.203 | C | C | . | . | trans | -69.7 | 138.1 | -175.6 | -68.2 | -179.9 | 67.3 | 0 | 0 | 111.1 | F183 V184 T186 P187 V194 I195 W210 L235 I238 | F183-M190 HydrophobicContact CD2-CE 3.68Å; F183-M190 HydrophobicContact CE2-CE 3.28Å; F183-M190 HydrophobicContact CE2-SD 4.31Å; F183-M190 HydrophobicContact CG-CE 4.45Å; F183-M190 HydrophobicContact CZ-CE 3.76Å; F183-M190 HydrophobicContact CZ-SD 4.25Å; V184-M190 WeakPolarHBondContact O-CE 3.39Å; T186-M190 WeakPolarHBondContact O-CG 3.4Å; T186-M190 PolarHBondContact O-N 3Å; P187-M190 WeakPolarHBondContact O-CB 3.46Å; P187-M190 PolarHBondContact O-N 2.97Å; M190-V194 HydrophobicContact CE-CB 4.21Å; M190-V194 HydrophobicContact CE-CG1 3.46Å; M190-V194 VanDerWaalsContact CE-CG1 3.46Å; M190-I195 HydrophobicContact CB-CD1 4.35Å; M190-I195 HydrophobicContact CB-CG1 4.22Å; M190-W210 PolarHBondContact O-NE1 3.42Å; M190-L235 HydrophobicContact CB-CD2 4.42Å; M190-L235 HydrophobicContact CE-CD2 4.43Å; M190-L235 HydrophobicContact SD-CD2 3.74Å; M190-I238 WeakPolarHBondContact O-CG2 3.29Å | ||
| 191 | A | 95.3 | Very high | 80.9 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | trans | -73.5 | 147.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | E193 V194 I195 V207 W210 | A191-E193 HydrophobicContact CB-CG 4.42Å; A191-E193 WeakPolarHBondContact CB-OE2 3.38Å; A191-E193 PolarHBondContact O-N 3.29Å; A191-V194 HydrophobicContact CB-CG2 4.19Å; A191-V194 WeakPolarHBondContact O-CB 3.48Å; A191-V194 PolarHBondContact O-N 3.02Å; A191-I195 PolarHBondContact O-N 3.32Å; A191-V207 HydrophobicContact CB-CB 3.97Å; A191-V207 HydrophobicContact CB-CG1 4.07Å; A191-W210 VanDerWaalsContact CA-CD1 3.42Å; A191-W210 HydrophobicContact CB-CB 3.69Å; A191-W210 HydrophobicContact CB-CD2 4.32Å; A191-W210 HydrophobicContact CB-CG 3.68Å | ||
| 192 | P | 91.5 | Very high | 81 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -54.3 | -39.8 | -178.5 | -24.8 | 32.2 | 0 | 0 | 0 | 112.8 | V194 I195 L196 W210 I238 K265 | P192-V194 VanDerWaalsContact C-N 3.3Å; P192-V194 PolarHBondContact O-N 2.95Å; P192-I195 WeakPolarHBondContact O-CB 3.3Å; P192-I195 PolarHBondContact O-N 2.95Å; P192-I195 VanDerWaalsContact O-N 3.13Å; P192-L196 WeakPolarHBondContact O-CB 3.23Å; P192-L196 VanDerWaalsContact O-CG 3.26Å; P192-L196 WeakPolarHBondContact O-CG 3.38Å; P192-L196 PolarHBondContact O-N 3.49Å; P192-W210 HydrophobicContact CG-CD2 4.48Å; P192-W210 HydrophobicContact CG-CE3 4.24Å; P192-W210 HydrophobicContact CG-CH2 3.58Å; P192-W210 HydrophobicContact CG-CZ2 3.86Å; P192-W210 HydrophobicContact CG-CZ3 3.78Å; P192-I238 HydrophobicContact CB-CG2 4.49Å; P192-I238 HydrophobicContact CG-CG2 3.99Å; P192-K265 HydrophobicContact CG-CB 4.49Å; P192-K265 HydrophobicContact CG-CG 4.24Å |
| 193 | E | 91.1 | Very high | 81.3 | Confident | 23 Ų | 23 | 38.8 Ų | 38.8 | 11% | 0.107 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.3 | -26.5 | 179.3 | 66.5 | -88.4 | -152.7 | 0 | 0 | 113.7 | A191 I195 A197 V207 P267 R270 | A191-E193 HydrophobicContact CB-CG 4.42Å; A191-E193 WeakPolarHBondContact CB-OE2 3.38Å; A191-E193 PolarHBondContact O-N 3.29Å; E193-I195 VanDerWaalsContact C-N 3.33Å; E193-A197 WeakPolarHBondContact O-CB 3.29Å; E193-A197 PolarHBondContact O-N 3.28Å; E193-V207 HydrophobicContact CG-CG1 3.82Å; E193-V207 WeakPolarHBondContact OE1-CG1 3.37Å; E193-P267 HydrophobicContact CB-CG 3.93Å; E193-P267 HydrophobicContact CG-CG 3.87Å; E193-R270 IonicContact OE1-CZ 2.9Å; E193-R270 IonicContact OE1-NH1 2.89Å; E193-R270 PolarHBondContact OE1-NH1 3.35Å; E193-R270 IonicContact OE1-NH2 2.68Å; E193-R270 PolarHBondContact OE1-NH2 2.92Å; E193-R270 IonicContact OE2-CZ 2.8Å; E193-R270 IonicContact OE2-NH1 3.8Å; E193-R270 IonicContact OE2-NH2 2.63Å; E193-R270 PolarHBondContact OE2-NH2 3.03Å |
| 194 | V | 89.3 | Confident | 81.8 | Confident | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.6 | -36.1 | 172.9 | -177 | 0 | 0 | 0 | 0 | 110.2 | M190 A191 P192 Y203 V207 | M190-V194 HydrophobicContact CE-CB 4.21Å; M190-V194 HydrophobicContact CE-CG1 3.46Å; M190-V194 VanDerWaalsContact CE-CG1 3.46Å; A191-V194 HydrophobicContact CB-CG2 4.19Å; A191-V194 WeakPolarHBondContact O-CB 3.48Å; A191-V194 PolarHBondContact O-N 3.02Å; P192-V194 VanDerWaalsContact C-N 3.3Å; P192-V194 PolarHBondContact O-N 2.95Å; V194-Y203 HydrophobicContact CB-CD1 4.42Å; V194-Y203 HydrophobicContact CB-CE1 4.43Å; V194-Y203 HydrophobicContact CG1-CD1 4.47Å; V194-Y203 HydrophobicContact CG1-CE1 3.99Å; V194-Y203 HydrophobicContact CG2-CD1 4.09Å; V194-Y203 HydrophobicContact CG2-CD2 4.1Å; V194-Y203 HydrophobicContact CG2-CE1 4.25Å; V194-Y203 HydrophobicContact CG2-CE2 4.26Å; V194-Y203 HydrophobicContact CG2-CG 4.03Å; V194-V207 HydrophobicContact CG2-CB 3.8Å; V194-V207 HydrophobicContact CG2-CG1 3.4Å; V194-V207 VanDerWaalsContact CG2-CG1 3.4Å; V194-V207 HydrophobicContact CG2-CG2 4.42Å |
| 195 | I | 84.1 | Confident | 82.3 | Confident | 14 Ų | 14 | 41.7 Ų | 41.7 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.6 | -42.7 | 177.7 | -52 | 175.4 | 0 | 0 | 0 | 110.2 | M190 A191 P192 E193 A197 M198 L235 I238 A239 | M190-I195 HydrophobicContact CB-CD1 4.35Å; M190-I195 HydrophobicContact CB-CG1 4.22Å; A191-I195 PolarHBondContact O-N 3.32Å; P192-I195 WeakPolarHBondContact O-CB 3.3Å; P192-I195 PolarHBondContact O-N 2.95Å; P192-I195 VanDerWaalsContact O-N 3.13Å; E193-I195 VanDerWaalsContact C-N 3.33Å; I195-A197 VanDerWaalsContact C-N 3.32Å; I195-A197 PolarHBondContact O-N 3.21Å; I195-M198 HydrophobicContact CG2-SD 4.32Å; I195-M198 WeakPolarHBondContact O-CB 3.22Å; I195-M198 WeakPolarHBondContact O-CG 3.43Å; I195-M198 PolarHBondContact O-N 3.5Å; I195-L235 HydrophobicContact CD1-CB 4.25Å; I195-L235 HydrophobicContact CD1-CD2 3.61Å; I195-L235 WeakPolarHBondContact CD1-O 3.44Å; I195-L235 HydrophobicContact CG1-CD2 3.77Å; I195-L235 HydrophobicContact CG2-CB 4.31Å; I195-I238 HydrophobicContact CD1-CB 3.73Å; I195-I238 HydrophobicContact CD1-CD1 4.34Å; I195-I238 HydrophobicContact CD1-CG2 3.52Å; I195-A239 HydrophobicContact CG2-CB 4.21Å |
| 196 | L | 77.2 | Confident | 82.9 | Confident | 113 Ų | 113 | 43.1 Ų | 43.1 | 59% | 0.592 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -73.5 | -23.9 | 178.5 | -64.6 | 171.1 | 0 | 0 | 0 | 112.7 | P192 M198 A239 | P192-L196 WeakPolarHBondContact O-CB 3.23Å; P192-L196 VanDerWaalsContact O-CG 3.26Å; P192-L196 WeakPolarHBondContact O-CG 3.38Å; P192-L196 PolarHBondContact O-N 3.49Å; L196-M198 PolarHBondContact O-N 3.37Å; L196-M198 VanDerWaalsContact O-N 3.15Å; L196-A239 HydrophobicContact CD2-CB 4.38Å |
| 197 | A | 69.1 | Low | 83.4 | Confident | 7 Ų | 7 | 42 Ų | 42 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 3.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | E193 I195 D199 G201 Y203 | E193-A197 WeakPolarHBondContact O-CB 3.29Å; E193-A197 PolarHBondContact O-N 3.28Å; I195-A197 VanDerWaalsContact C-N 3.32Å; I195-A197 PolarHBondContact O-N 3.21Å; A197-D199 PolarHBondContact O-N 2.96Å; A197-G201 WeakPolarHBondContact CB-O 3.4Å; A197-Y203 HydrophobicContact CB-CD1 3.91Å; A197-Y203 HydrophobicContact CB-CE1 4.47Å |
| 198 | M | 57.1 | Low | 83.9 | Confident | 39 Ų | 39 | 41.1 Ų | 41.1 | 19% | 0.192 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -14.6 | -175.1 | -80.1 | 175 | 62 | 0 | 0 | 115.6 | F183 I195 L196 Y467 R471 | F183-M198 HydrophobicContact CB-CG 4.28Å; F183-M198 HydrophobicContact CD2-CG 3.35Å; F183-M198 HydrophobicContact CD2-SD 3.74Å; F183-M198 HydrophobicContact CE1-SD 4.48Å; F183-M198 HydrophobicContact CE2-CG 3.76Å; F183-M198 HydrophobicContact CE2-SD 3.47Å; F183-M198 WeakPolarHBondContact CE2-SD 3.46Å; F183-M198 HydrophobicContact CG-CG 3.87Å; F183-M198 HydrophobicContact CG-SD 4.35Å; F183-M198 HydrophobicContact CZ-SD 3.89Å; I195-M198 HydrophobicContact CG2-SD 4.32Å; I195-M198 WeakPolarHBondContact O-CB 3.22Å; I195-M198 WeakPolarHBondContact O-CG 3.43Å; I195-M198 PolarHBondContact O-N 3.5Å; L196-M198 PolarHBondContact O-N 3.37Å; L196-M198 VanDerWaalsContact O-N 3.15Å; M198-Y467 HydrophobicContact CE-CE1 3.59Å; M198-R471 VanDerWaalsContact C-NH2 3.28Å; M198-R471 PolarHBondContact O-NH2 3.1Å |
| 199 | D | 48.8 | Very low | 84.2 | Confident | 99 Ų | 99 | 39.9 Ų | 39.9 | 53% | 0.529 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -114.3 | -51.7 | -179.8 | -75 | -61.3 | 0 | 0 | 0 | 113.7 | A197 R471 | A197-D199 PolarHBondContact O-N 2.96Å; D199-R471 IonicContact OD1-CZ 2.87Å; D199-R471 VanDerWaalsContact OD1-CZ 3.3Å; D199-R471 IonicContact OD1-NH1 3.94Å; D199-R471 PolarHBondContact OD1-NH1 3.04Å; D199-R471 IonicContact OD1-NH2 3.57Å; D199-R471 PolarHBondContact OD1-NH2 3.12Å; D199-R471 IonicContact OD2-CZ 2.69Å; D199-R471 IonicContact OD2-NH1 3.75Å; D199-R471 IonicContact OD2-NH2 3.18Å; D199-R471 PolarHBondContact OD2-NH2 3.13Å |
| 200 | E | 54 | Low | 84.3 | Confident | 157 Ų | 157 | 39.1 Ų | 39.1 | 73% | 0.734 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -148.4 | 4.4 | -175.6 | -64.9 | -178.1 | 178.3 | 0 | 0 | 114.1 | ||
| 201 | G | 64.4 | Low | 84.5 | Confident | 27 Ų | 27 | 39 Ų | 39 | 28% | 0.278 | 20% | 0.201 | S | C | . | . | trans | -81.8 | 153.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N181 A197 | N181-G201 WeakPolarHBondContact CB-O 3.46Å; A197-G201 WeakPolarHBondContact CB-O 3.4Å | ||
| 202 | Q | 84.2 | Confident | 84.6 | Confident | 142 Ų | 142 | 39 Ų | 39 | 66% | 0.664 | 20% | 0.201 | S | C | * | . | trans | -114.6 | 146.6 | 169.8 | -72.6 | -176.1 | -17.3 | 0 | 0 | 109.5 | P179 A180 | P179-Q202 HydrophobicContact CB-CB 3.75Å; P179-Q202 HydrophobicContact CB-CG 4.26Å; A180-Q202 CarbonylContact O-C 3.58Å; A180-Q202 WeakPolarHBondContact O-CA 3.48Å | ||
| 203 | Y | 89.5 | Confident | 85 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -136 | 153.4 | 176.2 | 61.4 | -101 | 0 | 0 | 0 | 111.5 | I149 R151 P179 A180 S182 V194 A197 V207 | I149-Y203 HydrophobicContact CD1-CD2 4.46Å; I149-Y203 HydrophobicContact CD1-CE2 4.45Å; R151-Y203 WeakPolarHBondContact CD-OH 3.46Å; R151-Y203 HydrophobicContact CG-CE2 4.37Å; R151-Y203 PolarHBondContact NH1-OH 3.45Å; R151-Y203 VanDerWaalsContact NH1-OH 3.07Å; P179-Y203 CarbonylContact C-O 3.53Å; P179-Y203 WeakPolarHBondContact CA-O 3.35Å; A180-Y203 HydrophobicContact CB-CD2 4.37Å; A180-Y203 HydrophobicContact CB-CE2 3.76Å; A180-Y203 PolarHBondContact N-O 3.48Å; A180-Y203 WeakPolarHBondContact O-CD1 3.14Å; A180-Y203 PolarHBondContact O-N 2.87Å; S182-Y203 PolarHBondContact O-OH 3.15Å; V194-Y203 HydrophobicContact CB-CD1 4.42Å; V194-Y203 HydrophobicContact CB-CE1 4.43Å; V194-Y203 HydrophobicContact CG1-CD1 4.47Å; V194-Y203 HydrophobicContact CG1-CE1 3.99Å; V194-Y203 HydrophobicContact CG2-CD1 4.09Å; V194-Y203 HydrophobicContact CG2-CD2 4.1Å; V194-Y203 HydrophobicContact CG2-CE1 4.25Å; V194-Y203 HydrophobicContact CG2-CE2 4.26Å; V194-Y203 HydrophobicContact CG2-CG 4.03Å; A197-Y203 HydrophobicContact CB-CD1 3.91Å; A197-Y203 HydrophobicContact CB-CE1 4.47Å; Y203-V207 HydrophobicContact CD2-CB 4.47Å; Y203-V207 HydrophobicContact CD2-CG1 3.63Å; Y203-V207 HydrophobicContact CD2-CG2 4.08Å; Y203-V207 HydrophobicContact CE2-CG2 4.35Å; Y203-V207 HydrophobicContact CG-CG1 3.95Å |
| 204 | E | 93.4 | Very high | 85.3 | Confident | 114 Ų | 114 | 38 Ų | 38 | 53% | 0.533 | 20% | 0.195 | S | C | . | . | trans | -112.3 | -172.7 | -174.7 | -64.9 | 179.9 | -172.9 | 0 | 0 | 111.8 | P179 K206 V207 | P179-E204 HydrophobicContact CB-CG 4.38Å; P179-E204 HydrophobicContact CG-CG 4.32Å; E204-K206 PolarHBondContact O-N 3.02Å; E204-V207 WeakPolarHBondContact O-CG1 3.37Å; E204-V207 WeakPolarHBondContact O-CG2 3.49Å; E204-V207 PolarHBondContact O-N 3.44Å | ||
| 205 | G | 94.7 | Very high | 85.8 | Confident | 8 Ų | 8 | 37.7 Ų | 37.7 | 8% | 0.082 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -19.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | H144 V207 D208 | H144-G205 PolarHBondContact CE1-O 2.93Å; H144-G205 PolarHBondContact NE2-O 3.48Å; H144-G205 VanDerWaalsContact NE2-O 3.14Å; G205-V207 PolarHBondContact O-N 3.47Å; G205-D208 WeakPolarHBondContact O-CB 3.19Å; G205-D208 PolarHBondContact O-N 3.01Å |
| 206 | K | 97.8 | Very high | 86.5 | Confident | 48 Ų | 48 | 37 Ų | 37 | 21% | 0.209 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.3 | -13.9 | 179 | -66.2 | -170.5 | -178.3 | -169.5 | 0 | 114 | E204 D208 I209 W210 P267 Q268 R270 | E204-K206 PolarHBondContact O-N 3.02Å; K206-D208 VanDerWaalsContact C-N 3.27Å; K206-D208 PolarHBondContact O-N 3.03Å; K206-I209 WeakPolarHBondContact O-CB 3.34Å; K206-I209 PolarHBondContact O-N 3.49Å; K206-W210 PolarHBondContact O-N 3.17Å; K206-P267 WeakPolarHBondContact CD-O 3.49Å; K206-P267 WeakPolarHBondContact CE-O 3.27Å; K206-P267 PolarHBondContact NZ-O 3.22Å; K206-Q268 PolarHBondContact NZ-O 2.64Å; K206-R270 WeakPolarHBondContact CD-O 3.46Å; K206-R270 VanDerWaalsContact CE-O 3.25Å; K206-R270 WeakPolarHBondContact CE-O 3.5Å; K206-R270 PolarHBondContact NZ-O 3.07Å; K206-R270 WeakPolarHBondContact O-CD 3.46Å; K206-R270 PolarHBondContact O-NH1 3.48Å |
| 207 | V | 97.8 | Very high | 87.5 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63 | -34.8 | 170.9 | -57.3 | 0 | 0 | 0 | 0 | 112.1 | I149 A191 E193 V194 Y203 E204 G205 I209 W210 S211 | I149-V207 HydrophobicContact CG2-CG2 3.59Å; A191-V207 HydrophobicContact CB-CB 3.97Å; A191-V207 HydrophobicContact CB-CG1 4.07Å; E193-V207 HydrophobicContact CG-CG1 3.82Å; E193-V207 WeakPolarHBondContact OE1-CG1 3.37Å; V194-V207 HydrophobicContact CG2-CB 3.8Å; V194-V207 HydrophobicContact CG2-CG1 3.4Å; V194-V207 VanDerWaalsContact CG2-CG1 3.4Å; V194-V207 HydrophobicContact CG2-CG2 4.42Å; Y203-V207 HydrophobicContact CD2-CB 4.47Å; Y203-V207 HydrophobicContact CD2-CG1 3.63Å; Y203-V207 HydrophobicContact CD2-CG2 4.08Å; Y203-V207 HydrophobicContact CE2-CG2 4.35Å; Y203-V207 HydrophobicContact CG-CG1 3.95Å; E204-V207 WeakPolarHBondContact O-CG1 3.37Å; E204-V207 WeakPolarHBondContact O-CG2 3.49Å; E204-V207 PolarHBondContact O-N 3.44Å; G205-V207 PolarHBondContact O-N 3.47Å; V207-I209 VanDerWaalsContact C-N 3.26Å; V207-I209 PolarHBondContact O-N 3.28Å; V207-W210 WeakPolarHBondContact O-CB 3.15Å; V207-W210 PolarHBondContact O-N 2.98Å; V207-S211 PolarHBondContact O-N 3.01Å; V207-S211 VanDerWaalsContact O-N 3.11Å; V207-S211 PolarHBondContact O-OG 3.46Å |
| 208 | D | 98.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70.6 | -26.4 | 177.7 | -68.8 | -29.1 | 0 | 0 | 0 | 111.8 | L140 H144 I149 H150 R151 V153 G205 K206 S211 L212 | L140-D208 HydrophobicContact CD1-CB 4.06Å; L140-D208 HydrophobicContact CD2-CB 3.77Å; H144-D208 IonicContact NE2-OD2 3.76Å; H144-D208 PolarHBondContact NE2-OD2 2.97Å; I149-D208 WeakPolarHBondContact CG2-OD2 3.4Å; H150-D208 WeakPolarHBondContact CB-OD2 3.34Å; H150-D208 PolarHBondContact N-OD2 2.82Å; R151-D208 WeakPolarHBondContact CA-OD1 3.44Å; R151-D208 PolarHBondContact N-OD1 2.74Å; V153-D208 HydrophobicContact CG2-CB 4.07Å; G205-D208 WeakPolarHBondContact O-CB 3.19Å; G205-D208 PolarHBondContact O-N 3.01Å; K206-D208 VanDerWaalsContact C-N 3.27Å; K206-D208 PolarHBondContact O-N 3.03Å; D208-S211 PolarHBondContact O-N 3.03Å; D208-L212 WeakPolarHBondContact O-CB 3.36Å; D208-L212 PolarHBondContact O-N 3.49Å |
| 209 | I | 98.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.1 | -42.1 | 174.7 | -57.7 | -53 | 0 | 0 | 0 | 111 | L137 L140 K206 V207 L212 G213 C262 R270 L276 | L137-I209 HydrophobicContact CD1-CD1 3.98Å; L140-I209 HydrophobicContact CD1-CD1 4.42Å; K206-I209 WeakPolarHBondContact O-CB 3.34Å; K206-I209 PolarHBondContact O-N 3.49Å; V207-I209 VanDerWaalsContact C-N 3.26Å; V207-I209 PolarHBondContact O-N 3.28Å; I209-L212 WeakPolarHBondContact O-CB 3.39Å; I209-L212 PolarHBondContact O-N 2.95Å; I209-G213 PolarHBondContact O-N 3.31Å; I209-C262 HydrophobicContact CG2-CB 4.14Å; I209-R270 HydrophobicContact CG2-CG 4.08Å; I209-L276 HydrophobicContact CD1-CD1 4.25Å; I209-L276 HydrophobicContact CG2-CD1 3.36Å |
| 210 | W | 98.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.2 | -49.8 | 172.2 | 174.9 | -79.6 | 0 | 0 | 0 | 111 | M190 A191 P192 K206 V207 L212 G213 I214 I238 C262 L263 K265 | M190-W210 PolarHBondContact O-NE1 3.42Å; A191-W210 VanDerWaalsContact CA-CD1 3.42Å; A191-W210 HydrophobicContact CB-CB 3.69Å; A191-W210 HydrophobicContact CB-CD2 4.32Å; A191-W210 HydrophobicContact CB-CG 3.68Å; P192-W210 HydrophobicContact CG-CD2 4.48Å; P192-W210 HydrophobicContact CG-CE3 4.24Å; P192-W210 HydrophobicContact CG-CH2 3.58Å; P192-W210 HydrophobicContact CG-CZ2 3.86Å; P192-W210 HydrophobicContact CG-CZ3 3.78Å; K206-W210 PolarHBondContact O-N 3.17Å; V207-W210 WeakPolarHBondContact O-CB 3.15Å; V207-W210 PolarHBondContact O-N 2.98Å; W210-L212 PolarHBondContact O-N 3.48Å; W210-G213 WeakPolarHBondContact O-CA 3.33Å; W210-G213 PolarHBondContact O-N 2.99Å; W210-I214 PolarHBondContact O-N 3.02Å; W210-I238 HydrophobicContact CZ2-CG2 4.03Å; W210-C262 WeakPolarHBondContact CA-O 3.37Å; W210-L263 HydrophobicContact CD2-CD2 3.75Å; W210-L263 HydrophobicContact CE3-CB 4.4Å; W210-L263 HydrophobicContact CE3-CD2 3.98Å; W210-L263 HydrophobicContact CG-CD2 4.12Å; W210-L263 HydrophobicContact CZ2-CD2 4.32Å; W210-L263 HydrophobicContact CZ3-CB 4.25Å; W210-L263 HydrophobicContact CZ3-CD2 4.38Å; W210-L263 WeakPolarHBondContact CZ3-O 3.44Å; W210-L263 WeakPolarHBondContact O-CD2 3.31Å; W210-K265 HydrophobicContact CH2-CG 3.93Å; W210-K265 HydrophobicContact CZ3-CB 4.45Å; W210-K265 HydrophobicContact CZ3-CG 3.85Å |
| 211 | S | 98.6 | Very high | 95.1 | Very high | 6 Ų | 6 | 21 Ų | 21 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.7 | -35.4 | 178.2 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | V153 W189 V207 D208 I214 T215 | V153-S211 WeakPolarHBondContact O-CB 3.3Å; W189-S211 WeakPolarHBondContact O-CA 3.42Å; W189-S211 WeakPolarHBondContact O-CB 3.39Å; W189-S211 PolarHBondContact O-OG 2.91Å; V207-S211 PolarHBondContact O-N 3.01Å; V207-S211 VanDerWaalsContact O-N 3.11Å; V207-S211 PolarHBondContact O-OG 3.46Å; D208-S211 PolarHBondContact O-N 3.03Å; S211-I214 PolarHBondContact O-N 3.42Å; S211-T215 WeakPolarHBondContact O-CB 3.49Å; S211-T215 PolarHBondContact O-N 2.8Å; S211-T215 PolarHBondContact O-OG1 2.94Å |
| 212 | L | 98.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.1 | -39.5 | 171.7 | -176.6 | 66.8 | 0 | 0 | 0 | 112.4 | T133 A136 L137 L140 V153 D208 I209 W210 T215 C216 F258 | T133-L212 HydrophobicContact CG2-CD1 4.3Å; T133-L212 HydrophobicContact CG2-CD2 4.15Å; T133-L212 HydrophobicContact CG2-CG 4.34Å; A136-L212 HydrophobicContact CB-CD1 4.06Å; L137-L212 HydrophobicContact CB-CD2 4.23Å; L137-L212 HydrophobicContact CD1-CD2 3.76Å; L140-L212 HydrophobicContact CD1-CB 4.35Å; L140-L212 HydrophobicContact CD1-CD2 4.23Å; V153-L212 HydrophobicContact CG1-CB 4.45Å; V153-L212 HydrophobicContact CG1-CD1 4.44Å; D208-L212 WeakPolarHBondContact O-CB 3.36Å; D208-L212 PolarHBondContact O-N 3.49Å; I209-L212 WeakPolarHBondContact O-CB 3.39Å; I209-L212 PolarHBondContact O-N 2.95Å; W210-L212 PolarHBondContact O-N 3.48Å; L212-T215 CarbonylContact O-C 3.52Å; L212-T215 WeakPolarHBondContact O-CB 3.34Å; L212-T215 PolarHBondContact O-N 3.28Å; L212-C216 PolarHBondContact O-N 3.45Å; L212-C216 PolarHBondContact O-SG 3.18Å; L212-F258 HydrophobicContact CD2-CZ 4.48Å |
| 213 | G | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60 | -46.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I209 W210 T215 C216 I217 | I209-G213 PolarHBondContact O-N 3.31Å; W210-G213 WeakPolarHBondContact O-CA 3.33Å; W210-G213 PolarHBondContact O-N 2.99Å; G213-T215 VanDerWaalsContact C-N 3.3Å; G213-T215 PolarHBondContact O-N 3.44Å; G213-C216 WeakPolarHBondContact O-CB 3.46Å; G213-C216 PolarHBondContact O-N 3.21Å; G213-C216 VanDerWaalsContact O-N 3.17Å; G213-I217 PolarHBondContact O-N 3Å |
| 214 | I | 98.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.6 | -38.7 | 173.6 | -59.3 | -59.1 | 0 | 0 | 0 | 111.3 | W189 W210 S211 C216 I217 E218 P224 P225 P244 L263 | W189-I214 HydrophobicContact CB-CG2 4.39Å; W189-I214 VanDerWaalsContact CD1-CG2 3.44Å; W189-I214 HydrophobicContact CD2-CG2 4.37Å; W189-I214 HydrophobicContact CG-CB 4.31Å; W189-I214 HydrophobicContact CG-CG2 3.81Å; W210-I214 PolarHBondContact O-N 3.02Å; S211-I214 PolarHBondContact O-N 3.42Å; I214-C216 VanDerWaalsContact C-N 3.3Å; I214-C216 PolarHBondContact O-N 2.99Å; I214-I217 WeakPolarHBondContact O-CB 3.21Å; I214-I217 PolarHBondContact O-N 3.06Å; I214-E218 PolarHBondContact O-N 2.79Å; I214-P224 HydrophobicContact CG2-CB 3.7Å; I214-P225 HydrophobicContact CD1-CG 4.34Å; I214-P244 HydrophobicContact CD1-CG 3.71Å; I214-L263 HydrophobicContact CD1-CD1 4.2Å; I214-L263 HydrophobicContact CD1-CD2 3.64Å; I214-L263 HydrophobicContact CG1-CD2 3.9Å |
| 215 | T | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.8 | -36 | 175.7 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | K154 A155 I158 S211 L212 G213 I217 E218 L219 | K154-T215 WeakPolarHBondContact CA-OG1 3.45Å; A155-T215 HydrophobicContact CB-CG2 4.21Å; I158-T215 HydrophobicContact CD1-CG2 3.81Å; S211-T215 WeakPolarHBondContact O-CB 3.49Å; S211-T215 PolarHBondContact O-N 2.8Å; S211-T215 PolarHBondContact O-OG1 2.94Å; L212-T215 CarbonylContact O-C 3.52Å; L212-T215 WeakPolarHBondContact O-CB 3.34Å; L212-T215 PolarHBondContact O-N 3.28Å; G213-T215 VanDerWaalsContact C-N 3.3Å; G213-T215 PolarHBondContact O-N 3.44Å; T215-I217 VanDerWaalsContact C-N 3.35Å; T215-E218 WeakPolarHBondContact O-CB 3.38Å; T215-E218 PolarHBondContact O-N 3.49Å; T215-L219 HydrophobicContact CG2-CD1 4.48Å; T215-L219 HydrophobicContact CG2-CG 4.5Å; T215-L219 VanDerWaalsContact O-CG 3.31Å; T215-L219 WeakPolarHBondContact O-CG 3.42Å; T215-L219 PolarHBondContact O-N 2.99Å |
| 216 | C | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.1 | -41.8 | 174 | -69 | 0 | 0 | 0 | 0 | 111.7 | T133 L212 G213 I214 L219 A220 F255 V259 | T133-C216 PolarHBondContact OG1-SG 3.08Å; T133-C216 VanDerWaalsContact OG1-SG 3.36Å; L212-C216 PolarHBondContact O-N 3.45Å; L212-C216 PolarHBondContact O-SG 3.18Å; G213-C216 WeakPolarHBondContact O-CB 3.46Å; G213-C216 PolarHBondContact O-N 3.21Å; G213-C216 VanDerWaalsContact O-N 3.17Å; I214-C216 VanDerWaalsContact C-N 3.3Å; I214-C216 PolarHBondContact O-N 2.99Å; C216-L219 PolarHBondContact O-N 2.94Å; C216-A220 WeakPolarHBondContact O-CB 3.19Å; C216-A220 PolarHBondContact O-N 3.19Å; C216-A220 VanDerWaalsContact O-N 3.1Å; C216-F255 HydrophobicContact CB-CE2 3.9Å; C216-F255 HydrophobicContact CB-CZ 4.19Å; C216-V259 HydrophobicContact CB-CG2 3.82Å |
| 217 | I | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.4 | -44.5 | 172.4 | -61.4 | 175.1 | 0 | 0 | 0 | 110.1 | G213 I214 T215 L219 A220 E221 P225 P244 L246 V259 L263 | G213-I217 PolarHBondContact O-N 3Å; I214-I217 WeakPolarHBondContact O-CB 3.21Å; I214-I217 PolarHBondContact O-N 3.06Å; T215-I217 VanDerWaalsContact C-N 3.35Å; I217-L219 VanDerWaalsContact C-N 3.31Å; I217-L219 PolarHBondContact O-N 3.16Å; I217-A220 CarbonylContact O-C 3.57Å; I217-A220 PolarHBondContact O-N 3.04Å; I217-A220 VanDerWaalsContact O-N 3.08Å; I217-E221 HydrophobicContact CG2-CB 4.35Å; I217-E221 HydrophobicContact CG2-CG 4.14Å; I217-E221 WeakPolarHBondContact O-CB 3.41Å; I217-E221 PolarHBondContact O-N 3.45Å; I217-P225 HydrophobicContact CD1-CG 3.99Å; I217-P225 HydrophobicContact CG2-CG 4.05Å; I217-P244 HydrophobicContact CD1-CB 4.27Å; I217-P244 HydrophobicContact CD1-CG 4.31Å; I217-L246 HydrophobicContact CB-CD2 4.46Å; I217-L246 HydrophobicContact CG1-CD2 4.05Å; I217-L246 HydrophobicContact CG1-CG 4.48Å; I217-V259 HydrophobicContact CD1-CG1 4.03Å; I217-V259 HydrophobicContact CG1-CG1 3.9Å; I217-L263 HydrophobicContact CD1-CD1 3.69Å |
| 218 | E | 98 | Very high | 95.5 | Very high | 12 Ų | 12 | 29.2 Ų | 29.2 | 6% | 0.056 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.4 | -41.6 | 176.6 | -178.7 | -171.4 | -169.2 | 0 | 0 | 112.4 | L117 A155 W189 I214 T215 A220 R222 | L117-E218 HydrophobicContact CD1-CG 4.38Å; A155-E218 HydrophobicContact CB-CG 4.19Å; A155-E218 WeakPolarHBondContact CB-OE1 3.48Å; A155-E218 WeakPolarHBondContact CB-OE2 3.43Å; A155-E218 PolarHBondContact N-OE2 3.48Å; W189-E218 VanDerWaalsContact CZ2-CD 3.5Å; W189-E218 HydrophobicContact CZ2-CG 4.39Å; W189-E218 WeakPolarHBondContact CZ2-OE2 3.41Å; W189-E218 PolarHBondContact NE1-OE2 3.3Å; W189-E218 VanDerWaalsContact NE1-OE2 3.11Å; I214-E218 PolarHBondContact O-N 2.79Å; T215-E218 WeakPolarHBondContact O-CB 3.38Å; T215-E218 PolarHBondContact O-N 3.49Å; E218-A220 VanDerWaalsContact C-N 3.32Å; E218-A220 PolarHBondContact O-N 3.25Å; E218-R222 CarbonylContact O-C 3.56Å; E218-R222 WeakPolarHBondContact O-CA 3.5Å; E218-R222 PolarHBondContact O-N 3.47Å |
| 219 | L | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.1 | -29 | 177.2 | -63.4 | 174.5 | 0 | 0 | 0 | 113 | A113 L117 L124 I129 I132 A155 T215 C216 I217 | A113-L219 HydrophobicContact CB-CD2 3.87Å; L117-L219 HydrophobicContact CD1-CD2 4.09Å; L117-L219 HydrophobicContact CG-CD2 4.42Å; L124-L219 HydrophobicContact CD1-CD2 4.09Å; L124-L219 PolarHBondContact N-O 2.92Å; L124-L219 VanDerWaalsContact N-O 3.14Å; I129-L219 HydrophobicContact CD1-CB 4.1Å; I129-L219 HydrophobicContact CG1-CB 3.95Å; I129-L219 HydrophobicContact CG2-CB 4.28Å; I129-L219 HydrophobicContact CG2-CD1 4.13Å; I132-L219 HydrophobicContact CB-CD1 4.48Å; I132-L219 HydrophobicContact CG2-CD1 4.09Å; A155-L219 HydrophobicContact CB-CD2 3.88Å; T215-L219 HydrophobicContact CG2-CD1 4.48Å; T215-L219 HydrophobicContact CG2-CG 4.5Å; T215-L219 VanDerWaalsContact O-CG 3.31Å; T215-L219 WeakPolarHBondContact O-CG 3.42Å; T215-L219 PolarHBondContact O-N 2.99Å; C216-L219 PolarHBondContact O-N 2.94Å; I217-L219 VanDerWaalsContact C-N 3.31Å; I217-L219 PolarHBondContact O-N 3.16Å |
| 220 | A | 97.8 | Very high | 93.4 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -85.7 | -27.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | P123 I129 C216 I217 E218 L246 W251 F255 | P123-A220 WeakPolarHBondContact CB-O 3.43Å; P123-A220 WeakPolarHBondContact CG-O 3.24Å; I129-A220 HydrophobicContact CD1-CB 4.12Å; C216-A220 WeakPolarHBondContact O-CB 3.19Å; C216-A220 PolarHBondContact O-N 3.19Å; C216-A220 VanDerWaalsContact O-N 3.1Å; I217-A220 CarbonylContact O-C 3.57Å; I217-A220 PolarHBondContact O-N 3.04Å; I217-A220 VanDerWaalsContact O-N 3.08Å; E218-A220 VanDerWaalsContact C-N 3.32Å; E218-A220 PolarHBondContact O-N 3.25Å; A220-L246 HydrophobicContact CB-CD2 3.62Å; A220-W251 HydrophobicContact CB-CH2 4.09Å; A220-W251 HydrophobicContact CB-CZ2 3.5Å; A220-F255 HydrophobicContact CB-CE1 4.14Å; A220-F255 HydrophobicContact CB-CZ 4.29Å |
| 221 | E | 95.5 | Very high | 92.2 | Very high | 63 Ų | 63 | 31.2 Ų | 31.2 | 29% | 0.294 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -126.4 | 3.7 | -170.6 | -58.4 | -173.7 | -179.4 | 0 | 0 | 112.8 | I217 K223 Q247 | I217-E221 HydrophobicContact CG2-CB 4.35Å; I217-E221 HydrophobicContact CG2-CG 4.14Å; I217-E221 WeakPolarHBondContact O-CB 3.41Å; I217-E221 PolarHBondContact O-N 3.45Å; E221-K223 PolarHBondContact O-N 3.34Å; E221-K223 VanDerWaalsContact O-N 3.08Å; E221-Q247 PolarHBondContact OE1-N 3.49Å |
| 222 | R | 94.6 | Very high | 91 | Very high | 113 Ų | 113 | 33.5 Ų | 33.5 | 43% | 0.426 | 16% | 0.159 | S | C | . | . | S | Bend | trans | 69 | -13.4 | -179.8 | -54.2 | 168.4 | 57.4 | -163.2 | -4.9 | 115.9 | L117 K121 P123 E218 | L117-R222 HydrophobicContact CD2-CG 4.36Å; K121-R222 VanDerWaalsContact O-CZ 3.27Å; K121-R222 PolarHBondContact O-NH1 3.38Å; K121-R222 VanDerWaalsContact O-NH1 3.08Å; P123-R222 HydrophobicContact CG-CG 4.32Å; E218-R222 CarbonylContact O-C 3.56Å; E218-R222 WeakPolarHBondContact O-CA 3.5Å; E218-R222 PolarHBondContact O-N 3.47Å |
| 223 | K | 92.7 | Very high | 89.7 | Confident | 121 Ų | 121 | 34.2 Ų | 34.2 | 53% | 0.526 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -143 | 150.7 | -179.7 | -70.5 | -178.5 | 171.8 | -174.2 | 0 | 109.4 | E221 F227 | E221-K223 PolarHBondContact O-N 3.34Å; E221-K223 VanDerWaalsContact O-N 3.08Å; K223-F227 HydrophobicContact CB-CB 4.31Å; K223-F227 HydrophobicContact CB-CG 4.4Å; K223-F227 HydrophobicContact CD-CD1 3.61Å; K223-F227 HydrophobicContact CD-CE1 4.09Å; K223-F227 HydrophobicContact CD-CG 4.23Å; K223-F227 HydrophobicContact CG-CD1 4.27Å |
| 224 | P | 95.3 | Very high | 88.7 | Confident | 8 Ų | 8 | 34.2 Ų | 34.2 | 5% | 0.052 | 16% | 0.164 | C | C | . | . | trans | -68.9 | 162 | 171.8 | 34.2 | -39 | 0 | 0 | 0 | 110.5 | Y188 W189 I214 F227 | Y188-P224 HydrophobicContact CG-CG 4.34Å; W189-P224 HydrophobicContact CD2-CB 4.4Å; W189-P224 HydrophobicContact CE3-CG 4.5Å; W189-P224 HydrophobicContact CH2-CB 4.28Å; W189-P224 HydrophobicContact CH2-CG 3.53Å; W189-P224 HydrophobicContact CZ2-CB 3.87Å; W189-P224 HydrophobicContact CZ2-CG 3.57Å; W189-P224 HydrophobicContact CZ3-CG 4.02Å; I214-P224 HydrophobicContact CG2-CB 3.7Å; P224-F227 HydrophobicContact CG-CB 4.12Å; P224-F227 HydrophobicContact CG-CD2 3.81Å; P224-F227 HydrophobicContact CG-CG 4.37Å; P224-F227 WeakPolarHBondContact O-CB 3.38Å | ||
| 225 | P | 92.3 | Very high | 87.9 | Confident | 26 Ų | 26 | 34.4 Ų | 34.4 | 17% | 0.169 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 150.1 | 167.8 | -24 | 35.5 | 0 | 0 | 0 | 111.5 | I214 I217 F227 P244 | I214-P225 HydrophobicContact CD1-CG 4.34Å; I217-P225 HydrophobicContact CD1-CG 3.99Å; I217-P225 HydrophobicContact CG2-CG 4.05Å; P225-F227 PolarHBondContact O-N 2.93Å; P225-F227 VanDerWaalsContact O-N 3.12Å; P225-P244 HydrophobicContact CB-CB 3.86Å; P225-P244 HydrophobicContact CB-CG 4.12Å; P225-P244 HydrophobicContact CG-CB 3.59Å; P225-P244 HydrophobicContact CG-CG 3.73Å |
| 226 | L | 89 | Confident | 86.7 | Confident | 48 Ų | 48 | 36.3 Ų | 36.3 | 25% | 0.251 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 9.8 | 174.6 | -44.6 | 170.6 | 0 | 0 | 0 | 115.4 | Y188 N228 M229 A234 H237 I238 | Y188-L226 WeakPolarHBondContact CE1-O 3.44Å; L226-N228 PolarHBondContact O-N 2.91Å; L226-M229 HydrophobicContact CB-CG 4.45Å; L226-M229 HydrophobicContact CB-SD 4.18Å; L226-M229 HydrophobicContact CD2-SD 3.89Å; L226-M229 WeakPolarHBondContact O-CB 3.48Å; L226-M229 PolarHBondContact O-N 3.39Å; L226-A234 HydrophobicContact CB-CB 4.15Å; L226-A234 HydrophobicContact CD1-CB 4.46Å; L226-H237 HydrophobicContact CD1-CB 3.59Å; L226-H237 HydrophobicContact CD2-CB 4.25Å; L226-I238 HydrophobicContact CD1-CG1 3.91Å |
| 227 | F | 86.1 | Confident | 85.7 | Confident | 91 Ų | 91 | 38 Ų | 38 | 40% | 0.399 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.5 | -178.8 | -169.5 | -98.3 | 0 | 0 | 0 | 114.6 | Y188 K223 P224 P225 M229 | Y188-F227 HydrophobicContact CD2-CD2 4.34Å; Y188-F227 HydrophobicContact CE2-CD2 4.33Å; K223-F227 HydrophobicContact CB-CB 4.31Å; K223-F227 HydrophobicContact CB-CG 4.4Å; K223-F227 HydrophobicContact CD-CD1 3.61Å; K223-F227 HydrophobicContact CD-CE1 4.09Å; K223-F227 HydrophobicContact CD-CG 4.23Å; K223-F227 HydrophobicContact CG-CD1 4.27Å; P224-F227 HydrophobicContact CG-CB 4.12Å; P224-F227 HydrophobicContact CG-CD2 3.81Å; P224-F227 HydrophobicContact CG-CG 4.37Å; P224-F227 WeakPolarHBondContact O-CB 3.38Å; P225-F227 PolarHBondContact O-N 2.93Å; P225-F227 VanDerWaalsContact O-N 3.12Å; F227-M229 VanDerWaalsContact C-N 3.34Å |
| 228 | N | 80.3 | Confident | 85.2 | Confident | 113 Ų | 113 | 38.8 Ų | 38.8 | 60% | 0.604 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -11.3 | 175.1 | 62.2 | -46.4 | 0 | 0 | 0 | 113.7 | L226 | L226-N228 PolarHBondContact O-N 2.91Š|
| 229 | M | 77.2 | Confident | 84.4 | Confident | 23 Ų | 23 | 38.9 Ų | 38.9 | 11% | 0.113 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -93.2 | 160.1 | 178.4 | -54.1 | -173.2 | 82.8 | 0 | 0 | 111 | Y188 L226 F227 H237 | Y188-M229 PolarHBondContact OH-O 2.82Å; L226-M229 HydrophobicContact CB-CG 4.45Å; L226-M229 HydrophobicContact CB-SD 4.18Å; L226-M229 HydrophobicContact CD2-SD 3.89Å; L226-M229 WeakPolarHBondContact O-CB 3.48Å; L226-M229 PolarHBondContact O-N 3.39Å; F227-M229 VanDerWaalsContact C-N 3.34Å; M229-H237 WeakPolarHBondContact CE-CD2 3.42Å; M229-H237 VanDerWaalsContact CE-NE2 3.32Å; M229-H237 WeakPolarHBondContact CE-NE2 3.47Å |
| 230 | N | 75.8 | Confident | 83.5 | Confident | 19 Ų | 19 | 42 Ų | 42 | 10% | 0.102 | 20% | 0.202 | C | C | . | . | trans | -69.4 | 161.5 | 168.3 | 76.8 | 54.4 | 0 | 0 | 0 | 110.9 | M232 S233 A234 Q689 Y692 | N230-M232 VanDerWaalsContact C-N 3.33Å; N230-M232 PolarHBondContact O-N 3.16Å; N230-M232 PolarHBondContact OD1-N 3.35Å; N230-S233 PolarHBondContact ND2-OG 3.39Å; N230-S233 VanDerWaalsContact ND2-OG 3.13Å; N230-S233 PolarHBondContact O-N 3.05Å; N230-S233 PolarHBondContact OD1-N 3.4Å; N230-S233 PolarHBondContact OD1-OG 2.95Å; N230-A234 WeakPolarHBondContact O-CB 3.44Å; N230-A234 PolarHBondContact O-N 3.08Å; N230-Q689 PolarHBondContact ND2-OE1 3.37Å; N230-Y692 HydrophobicContact CB-CD2 4.05Å; N230-Y692 HydrophobicContact CB-CE1 4.31Å; N230-Y692 HydrophobicContact CB-CE2 3.7Å; N230-Y692 HydrophobicContact CB-CG 4.49Å | ||
| 231 | A | 73.8 | Confident | 82.9 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.2 | -41.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P187 A234 L235 L460 | P187-A231 HydrophobicContact CB-CB 3.98Å; P187-A231 HydrophobicContact CG-CB 3.77Å; A231-A234 PolarHBondContact O-N 3.26Å; A231-L235 WeakPolarHBondContact O-CG 3.5Å; A231-L235 PolarHBondContact O-N 2.72Å; A231-L460 HydrophobicContact CB-CD1 3.81Å; A231-L460 HydrophobicContact CB-CD2 4.49Å; A231-L460 HydrophobicContact CB-CG 4.47Å |
| 232 | M | 72.4 | Confident | 82.5 | Confident | 55 Ų | 55 | 49.4 Ų | 49.4 | 27% | 0.271 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68.8 | -42.1 | -178.4 | -71.5 | -60.6 | -69.3 | 0 | 0 | 111.7 | N230 L235 Y236 M464 Y467 E685 | N230-M232 VanDerWaalsContact C-N 3.33Å; N230-M232 PolarHBondContact O-N 3.16Å; N230-M232 PolarHBondContact OD1-N 3.35Å; M232-L235 PolarHBondContact O-N 3.24Å; M232-L235 HydrophobicContact SD-CD1 4.02Å; M232-Y236 PolarHBondContact O-N 3.44Å; M232-M464 HydrophobicContact SD-CE 4.44Å; M232-M464 HydrophobicContact SD-SD 4.03Å; M232-Y467 HydrophobicContact CE-CE1 4.24Å; M232-Y467 HydrophobicContact CE-CE2 4.13Å; M232-E685 HydrophobicContact CE-CG 4.45Å |
| 233 | S | 73.3 | Confident | 82.3 | Confident | 16 Ų | 16 | 46 Ų | 46 | 11% | 0.112 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.3 | -41.1 | 173.8 | -57 | 0 | 0 | 0 | 0 | 111.6 | N230 Y236 H237 | N230-S233 PolarHBondContact ND2-OG 3.39Å; N230-S233 VanDerWaalsContact ND2-OG 3.13Å; N230-S233 PolarHBondContact O-N 3.05Å; N230-S233 PolarHBondContact OD1-N 3.4Å; N230-S233 PolarHBondContact OD1-OG 2.95Å; S233-Y236 WeakPolarHBondContact O-CB 3.28Å; S233-Y236 PolarHBondContact O-N 2.97Å; S233-H237 PolarHBondContact O-CD2 2.95Å; S233-H237 VanDerWaalsContact O-CD2 3.28Å; S233-H237 PolarHBondContact O-N 2.92Å |
| 234 | A | 77.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.5 | -43.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y188 L226 N230 A231 Y236 H237 I238 | Y188-A234 HydrophobicContact CD1-CB 3.6Å; Y188-A234 HydrophobicContact CE1-CB 3.58Å; L226-A234 HydrophobicContact CB-CB 4.15Å; L226-A234 HydrophobicContact CD1-CB 4.46Å; N230-A234 WeakPolarHBondContact O-CB 3.44Å; N230-A234 PolarHBondContact O-N 3.08Å; A231-A234 PolarHBondContact O-N 3.26Å; A234-Y236 VanDerWaalsContact C-N 3.3Å; A234-Y236 PolarHBondContact O-N 2.94Å; A234-H237 PolarHBondContact O-N 2.98Å; A234-I238 WeakPolarHBondContact O-CD1 3.47Å; A234-I238 VanDerWaalsContact O-CG1 3.27Å; A234-I238 WeakPolarHBondContact O-CG1 3.3Å; A234-I238 PolarHBondContact O-N 2.67Å |
| 235 | L | 81.7 | Confident | 82.4 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.1 | -42.2 | 175.8 | -69.4 | 166.6 | 0 | 0 | 0 | 111.8 | F183 P187 M190 I195 A231 M232 I238 A239 M464 | F183-L235 HydrophobicContact CE2-CD2 4.48Å; F183-L235 HydrophobicContact CZ-CD1 3.8Å; F183-L235 HydrophobicContact CZ-CD2 4.15Å; P187-L235 HydrophobicContact CB-CD2 4.1Å; P187-L235 HydrophobicContact CB-CG 4.14Å; M190-L235 HydrophobicContact CB-CD2 4.42Å; M190-L235 HydrophobicContact CE-CD2 4.43Å; M190-L235 HydrophobicContact SD-CD2 3.74Å; I195-L235 HydrophobicContact CD1-CB 4.25Å; I195-L235 HydrophobicContact CD1-CD2 3.61Å; I195-L235 WeakPolarHBondContact CD1-O 3.44Å; I195-L235 HydrophobicContact CG1-CD2 3.77Å; I195-L235 HydrophobicContact CG2-CB 4.31Å; A231-L235 WeakPolarHBondContact O-CG 3.5Å; A231-L235 PolarHBondContact O-N 2.72Å; M232-L235 PolarHBondContact O-N 3.24Å; M232-L235 HydrophobicContact SD-CD1 4.02Å; L235-I238 PolarHBondContact O-N 2.8Å; L235-A239 WeakPolarHBondContact O-CB 3.41Å; L235-A239 PolarHBondContact O-N 3.45Å; L235-A239 VanDerWaalsContact O-N 3.09Å; L235-M464 HydrophobicContact CD1-CE 4.14Å |
| 236 | Y | 72.8 | Confident | 82.5 | Confident | 41 Ų | 41 | 44 Ų | 44 | 16% | 0.161 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60 | -50.3 | 175.1 | 172.8 | -96.4 | 0 | 0 | 0 | 111.9 | M232 S233 A234 I238 A239 Q240 L811 Y815 | M232-Y236 PolarHBondContact O-N 3.44Å; S233-Y236 WeakPolarHBondContact O-CB 3.28Å; S233-Y236 PolarHBondContact O-N 2.97Å; A234-Y236 VanDerWaalsContact C-N 3.3Å; A234-Y236 PolarHBondContact O-N 2.94Å; Y236-I238 VanDerWaalsContact C-N 3.35Å; Y236-I238 PolarHBondContact O-N 3.42Å; Y236-A239 PolarHBondContact O-N 3.23Å; Y236-Q240 HydrophobicContact CD2-CG 3.88Å; Y236-Q240 HydrophobicContact CE1-CG 4.34Å; Y236-Q240 HydrophobicContact CE2-CB 4.5Å; Y236-Q240 HydrophobicContact CE2-CG 3.54Å; Y236-Q240 HydrophobicContact CG-CG 4.44Å; Y236-Q240 WeakPolarHBondContact O-CG 3.43Å; Y236-Q240 PolarHBondContact O-N 3.46Å; Y236-L811 HydrophobicContact CE1-CD2 3.89Å; Y236-Y815 HydrophobicContact CD2-CD1 4.5Å; Y236-Y815 AromaticContact CD2-CD2 3.36Å; Y236-Y815 HydrophobicContact CD2-CD2 3.36Å; Y236-Y815 AromaticContact CD2-CE2 3.98Å; Y236-Y815 HydrophobicContact CD2-CE2 3.98Å; Y236-Y815 AromaticContact CD2-CG 3.62Å; Y236-Y815 HydrophobicContact CD2-CG 3.62Å; Y236-Y815 VanDerWaalsContact CE2-CB 3.5Å; Y236-Y815 AromaticContact CE2-CD2 3.42Å; Y236-Y815 HydrophobicContact CE2-CD2 3.42Å; Y236-Y815 VanDerWaalsContact CE2-CD2 3.42Å; Y236-Y815 HydrophobicContact CE2-CE2 4.36Å; Y236-Y815 AromaticContact CE2-CG 3.75Å; Y236-Y815 HydrophobicContact CE2-CG 3.75Å |
| 237 | H | 77.6 | Confident | 82.5 | Confident | 35 Ų | 35 | 48.4 Ų | 48.4 | 16% | 0.162 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 180 | -89.3 | -99.3 | 0 | 0 | 0 | 112 | L226 M229 S233 A234 A239 Q240 N241 | L226-H237 HydrophobicContact CD1-CB 3.59Å; L226-H237 HydrophobicContact CD2-CB 4.25Å; M229-H237 WeakPolarHBondContact CE-CD2 3.42Å; M229-H237 VanDerWaalsContact CE-NE2 3.32Å; M229-H237 WeakPolarHBondContact CE-NE2 3.47Å; S233-H237 PolarHBondContact O-CD2 2.95Å; S233-H237 VanDerWaalsContact O-CD2 3.28Å; S233-H237 PolarHBondContact O-N 2.92Å; A234-H237 PolarHBondContact O-N 2.98Å; H237-A239 VanDerWaalsContact C-N 3.31Å; H237-A239 PolarHBondContact O-N 3.25Å; H237-Q240 PolarHBondContact O-N 2.93Å; H237-N241 PolarHBondContact ND1-ND2 2.89Å; H237-N241 WeakPolarHBondContact O-CB 3.16Å; H237-N241 PolarHBondContact O-N 3.29Å |
| 238 | I | 87.9 | Confident | 82.6 | Confident | 17 Ų | 17 | 45.9 Ų | 45.9 | 9% | 0.087 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.6 | -43.7 | 176.4 | -68.1 | 161.2 | 0 | 0 | 0 | 111 | P187 M190 P192 I195 W210 L226 A234 L235 Y236 K265 | P187-I238 VanDerWaalsContact O-CD1 3.3Å; P187-I238 WeakPolarHBondContact O-CD1 3.49Å; M190-I238 WeakPolarHBondContact O-CG2 3.29Å; P192-I238 HydrophobicContact CB-CG2 4.49Å; P192-I238 HydrophobicContact CG-CG2 3.99Å; I195-I238 HydrophobicContact CD1-CB 3.73Å; I195-I238 HydrophobicContact CD1-CD1 4.34Å; I195-I238 HydrophobicContact CD1-CG2 3.52Å; W210-I238 HydrophobicContact CZ2-CG2 4.03Å; L226-I238 HydrophobicContact CD1-CG1 3.91Å; A234-I238 WeakPolarHBondContact O-CD1 3.47Å; A234-I238 VanDerWaalsContact O-CG1 3.27Å; A234-I238 WeakPolarHBondContact O-CG1 3.3Å; A234-I238 PolarHBondContact O-N 2.67Å; L235-I238 PolarHBondContact O-N 2.8Å; Y236-I238 VanDerWaalsContact C-N 3.35Å; Y236-I238 PolarHBondContact O-N 3.42Å; I238-K265 PolarHBondContact O-NZ 3.42Å |
| 239 | A | 82.1 | Confident | 82.8 | Confident | 14 Ų | 14 | 47.7 Ų | 47.7 | 12% | 0.116 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.5 | -41.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I195 L196 L235 Y236 H237 K265 | I195-A239 HydrophobicContact CG2-CB 4.21Å; L196-A239 HydrophobicContact CD2-CB 4.38Å; L235-A239 WeakPolarHBondContact O-CB 3.41Å; L235-A239 PolarHBondContact O-N 3.45Å; L235-A239 VanDerWaalsContact O-N 3.09Å; Y236-A239 PolarHBondContact O-N 3.23Å; H237-A239 VanDerWaalsContact C-N 3.31Å; H237-A239 PolarHBondContact O-N 3.25Å; A239-K265 PolarHBondContact O-NZ 2.92Å |
| 240 | Q | 78.3 | Confident | 83.5 | Confident | 64 Ų | 64 | 53.5 Ų | 53.5 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -97.5 | -36.4 | -167.9 | -60 | -54.6 | -50.5 | 0 | 0 | 114.9 | Y236 H237 | Y236-Q240 HydrophobicContact CD2-CG 3.88Å; Y236-Q240 HydrophobicContact CE1-CG 4.34Å; Y236-Q240 HydrophobicContact CE2-CB 4.5Å; Y236-Q240 HydrophobicContact CE2-CG 3.54Å; Y236-Q240 HydrophobicContact CG-CG 4.44Å; Y236-Q240 WeakPolarHBondContact O-CG 3.43Å; Y236-Q240 PolarHBondContact O-N 3.46Å; H237-Q240 PolarHBondContact O-N 2.93Å |
| 241 | N | 84.6 | Confident | 84.5 | Confident | 73 Ų | 73 | 53.9 Ų | 53.9 | 39% | 0.39 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -93.8 | 169 | -171.1 | -64.3 | 4.1 | 0 | 0 | 0 | 111.9 | H237 K265 | H237-N241 PolarHBondContact ND1-ND2 2.89Å; H237-N241 WeakPolarHBondContact O-CB 3.16Å; H237-N241 PolarHBondContact O-N 3.29Å; N241-K265 WeakPolarHBondContact O-CD 3.47Å; N241-K265 PolarHBondContact O-NZ 3.19Å |
| 242 | D | 87.3 | Confident | 85.6 | Confident | 152 Ų | 152 | 55.4 Ų | 55.4 | 81% | 0.813 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 151.8 | 174.6 | -64 | -31.3 | 0 | 0 | 0 | 111.7 | ||
| 243 | S | 92 | Very high | 86.8 | Confident | 42 Ų | 42 | 59 Ų | 59 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 140.3 | 177.8 | 46.3 | 0 | 0 | 0 | 0 | 110.8 | L263 | S243-L263 WeakPolarHBondContact CB-O 3.48Å; S243-L263 PolarHBondContact OG-O 2.96Å |
| 244 | P | 94.9 | Very high | 87.9 | Confident | 35 Ų | 35 | 59 Ų | 59 | 23% | 0.227 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 155.9 | 177.1 | 28.3 | -31.5 | 0 | 0 | 0 | 111 | I214 I217 P225 L263 | I214-P244 HydrophobicContact CD1-CG 3.71Å; I217-P244 HydrophobicContact CD1-CB 4.27Å; I217-P244 HydrophobicContact CD1-CG 4.31Å; P225-P244 HydrophobicContact CB-CB 3.86Å; P225-P244 HydrophobicContact CB-CG 4.12Å; P225-P244 HydrophobicContact CG-CB 3.59Å; P225-P244 HydrophobicContact CG-CG 3.73Å; P244-L263 HydrophobicContact CG-CD1 4.1Å; P244-L263 WeakPolarHBondContact O-CD1 3.46Å |
| 245 | T | 94.9 | Very high | 88.9 | Confident | 66 Ų | 66 | 59 Ų | 59 | 41% | 0.405 | 32% | 0.315 | S | S | . | . | trans | -132.2 | 163.9 | 176.1 | 61.8 | 0 | 0 | 0 | 0 | 110.1 | Q247 | T245-Q247 PolarHBondContact O-N 3.39Å; T245-Q247 PolarHBondContact O-NE2 3.38Å; T245-Q247 VanDerWaalsContact O-NE2 3.08Å | ||
| 246 | L | 93.8 | Very high | 89.7 | Confident | 11 Ų | 11 | 60.4 Ų | 60.4 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | trans | -62.7 | 124.6 | 173.2 | -72.1 | 168.9 | 0 | 0 | 0 | 110.2 | I217 A220 W251 F255 R256 V259 | I217-L246 HydrophobicContact CB-CD2 4.46Å; I217-L246 HydrophobicContact CG1-CD2 4.05Å; I217-L246 HydrophobicContact CG1-CG 4.48Å; A220-L246 HydrophobicContact CB-CD2 3.62Å; L246-W251 HydrophobicContact CD1-CB 4.27Å; L246-W251 HydrophobicContact CD1-CG 4.09Å; L246-F255 HydrophobicContact CD1-CD1 3.78Å; L246-F255 HydrophobicContact CD1-CD2 4.49Å; L246-F255 HydrophobicContact CD1-CE1 3.66Å; L246-F255 HydrophobicContact CD1-CE2 4.41Å; L246-F255 HydrophobicContact CD1-CG 4.18Å; L246-F255 HydrophobicContact CD1-CZ 3.99Å; L246-F255 HydrophobicContact CD2-CE1 4.37Å; L246-F255 HydrophobicContact CD2-CZ 4.45Å; L246-R256 HydrophobicContact CD1-CG 4.37Å; L246-V259 HydrophobicContact CD1-CG2 4.01Å; L246-V259 HydrophobicContact CG-CG2 4.31Å | ||
| 247 | Q | 89.3 | Confident | 90.8 | Very high | 140 Ų | 140 | 61.8 Ų | 61.8 | 65% | 0.654 | 33% | 0.33 | S | S | * | . | trans | -74.8 | -34.1 | -173.9 | -62 | -60.1 | -58.6 | 0 | 0 | 113.1 | E221 T245 | E221-Q247 PolarHBondContact OE1-N 3.49Å; T245-Q247 PolarHBondContact O-N 3.39Å; T245-Q247 PolarHBondContact O-NE2 3.38Å; T245-Q247 VanDerWaalsContact O-NE2 3.08Å | ||
| 248 | S | 87.5 | Confident | 91.8 | Very high | 38 Ų | 38 | 60.1 Ų | 60.1 | 27% | 0.266 | 32% | 0.322 | S | S | . | . | trans | -85.1 | 133.5 | -174.5 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | E250 W251 R256 | S248-E250 VanDerWaalsContact CB-OE1 3.27Å; S248-E250 WeakPolarHBondContact CB-OE1 3.38Å; S248-E250 PolarHBondContact O-N 3.35Å; S248-E250 WeakPolarHBondContact OG-CG 3.45Å; S248-E250 PolarHBondContact OG-N 2.91Å; S248-E250 PolarHBondContact OG-OE1 3.42Å; S248-W251 VanDerWaalsContact O-CD1 3.31Å; S248-R256 PolarHBondContact O-NH1 3.06Å; S248-R256 PolarHBondContact O-NH2 3.34Å | ||
| 249 | N | 85.6 | Confident | 92.3 | Very high | 151 Ų | 151 | 59.3 Ų | 59.3 | 81% | 0.807 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 6.4 | 176.2 | -71.2 | -21 | 0 | 0 | 0 | 114.3 | R256 | N249-R256 PolarHBondContact O-NH2 2.91Š|
| 250 | E | 91.6 | Very high | 93.1 | Very high | 146 Ų | 146 | 61.9 Ų | 61.9 | 68% | 0.682 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -23.5 | -178.9 | 75.7 | -159.8 | 128.5 | 0 | 0 | 115.4 | S248 | S248-E250 VanDerWaalsContact CB-OE1 3.27Å; S248-E250 WeakPolarHBondContact CB-OE1 3.38Å; S248-E250 PolarHBondContact O-N 3.35Å; S248-E250 WeakPolarHBondContact OG-CG 3.45Å; S248-E250 PolarHBondContact OG-N 2.91Å; S248-E250 PolarHBondContact OG-OE1 3.42Å |
| 251 | W | 96.7 | Very high | 94 | Very high | 26 Ų | 26 | 62.8 Ų | 62.8 | 10% | 0.098 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -67.6 | 147.5 | 177 | -55.2 | 113.2 | 0 | 0 | 0 | 113.5 | E126 I129 A220 L246 S248 F255 R256 | E126-W251 HydrophobicContact CB-CE3 3.99Å; E126-W251 HydrophobicContact CB-CZ3 3.84Å; E126-W251 HydrophobicContact CG-CE3 4.15Å; E126-W251 HydrophobicContact CG-CZ3 4.41Å; I129-W251 HydrophobicContact CD1-CH2 4.04Å; I129-W251 HydrophobicContact CD1-CZ3 4.14Å; A220-W251 HydrophobicContact CB-CH2 4.09Å; A220-W251 HydrophobicContact CB-CZ2 3.5Å; L246-W251 HydrophobicContact CD1-CB 4.27Å; L246-W251 HydrophobicContact CD1-CG 4.09Å; S248-W251 VanDerWaalsContact O-CD1 3.31Å; W251-F255 HydrophobicContact CB-CD1 3.86Å; W251-F255 AromaticContact CD2-CD1 3.79Å; W251-F255 HydrophobicContact CD2-CD1 3.79Å; W251-F255 AromaticContact CD2-CE1 3.77Å; W251-F255 HydrophobicContact CD2-CE1 3.77Å; W251-F255 AromaticContact CE3-CD1 3.62Å; W251-F255 HydrophobicContact CE3-CD1 3.62Å; W251-F255 AromaticContact CE3-CE1 3.7Å; W251-F255 HydrophobicContact CE3-CE1 3.7Å; W251-F255 AromaticContact CG-CD1 3.9Å; W251-F255 HydrophobicContact CG-CD1 3.9Å; W251-F255 HydrophobicContact CG-CE1 4.15Å; W251-F255 HydrophobicContact CZ3-CD1 4.43Å; W251-F255 HydrophobicContact CZ3-CE1 4.18Å; W251-R256 HydrophobicContact CB-CG 4.49Å; W251-R256 VanDerWaalsContact O-CZ 3.3Å; W251-R256 PolarHBondContact O-NE 2.98Å; W251-R256 VanDerWaalsContact O-NE 3.1Å; W251-R256 PolarHBondContact O-NH2 3.35Å |
| 252 | S | 96.9 | Very high | 94.7 | Very high | 33 Ų | 33 | 59.3 Ų | 59.3 | 23% | 0.231 | 31% | 0.314 | C | S | . | . | trans | -65.2 | 153.1 | 176.4 | 70.5 | 0 | 0 | 0 | 0 | 112.8 | E126 A254 F255 R256 | E126-S252 VanDerWaalsContact CD-OG 3.25Å; E126-S252 WeakPolarHBondContact OE1-CB 3.33Å; E126-S252 PolarHBondContact OE1-OG 2.94Å; E126-S252 PolarHBondContact OE2-N 3.03Å; E126-S252 PolarHBondContact OE2-OG 3.32Å; S252-A254 PolarHBondContact O-N 3.4Å; S252-F255 PolarHBondContact O-N 3.46Å; S252-F255 PolarHBondContact OG-N 2.66Å; S252-R256 PolarHBondContact O-N 2.9Å | ||
| 253 | D | 96.2 | Very high | 95.2 | Very high | 132 Ų | 132 | 52 Ų | 52 | 71% | 0.706 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -58.5 | -36.7 | 175.8 | -65.6 | -32 | 0 | 0 | 0 | 111.8 | F255 R256 N257 | D253-F255 VanDerWaalsContact C-N 3.31Å; D253-F255 PolarHBondContact O-N 2.99Å; D253-R256 PolarHBondContact O-N 3.27Å; D253-N257 WeakPolarHBondContact O-CB 3.48Å; D253-N257 PolarHBondContact O-N 3.1Å |
| 254 | A | 96.9 | Very high | 95.5 | Very high | 14 Ų | 14 | 52.8 Ų | 52.8 | 12% | 0.116 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.2 | -39.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | S252 F258 H279 E280 | S252-A254 PolarHBondContact O-N 3.4Å; A254-F258 WeakPolarHBondContact O-CB 3.23Å; A254-F258 PolarHBondContact O-N 3.2Å; A254-F258 VanDerWaalsContact O-N 3.11Å; A254-H279 PolarHBondContact O-CE1 3.13Å; A254-E280 HydrophobicContact CB-CG 4.38Å |
| 255 | F | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72 | -44.6 | 177.9 | -177.2 | -151.8 | 0 | 0 | 0 | 112 | E126 I129 C216 A220 L246 W251 S252 D253 N257 F258 V259 F281 | E126-F255 HydrophobicContact CG-CB 4.27Å; E126-F255 HydrophobicContact CG-CD1 3.99Å; E126-F255 HydrophobicContact CG-CG 4.28Å; I129-F255 HydrophobicContact CD1-CE1 4.15Å; I129-F255 HydrophobicContact CD1-CZ 4.16Å; I129-F255 HydrophobicContact CG2-CE2 4.05Å; I129-F255 HydrophobicContact CG2-CZ 3.84Å; C216-F255 HydrophobicContact CB-CE2 3.9Å; C216-F255 HydrophobicContact CB-CZ 4.19Å; A220-F255 HydrophobicContact CB-CE1 4.14Å; A220-F255 HydrophobicContact CB-CZ 4.29Å; L246-F255 HydrophobicContact CD1-CD1 3.78Å; L246-F255 HydrophobicContact CD1-CD2 4.49Å; L246-F255 HydrophobicContact CD1-CE1 3.66Å; L246-F255 HydrophobicContact CD1-CE2 4.41Å; L246-F255 HydrophobicContact CD1-CG 4.18Å; L246-F255 HydrophobicContact CD1-CZ 3.99Å; L246-F255 HydrophobicContact CD2-CE1 4.37Å; L246-F255 HydrophobicContact CD2-CZ 4.45Å; W251-F255 HydrophobicContact CB-CD1 3.86Å; W251-F255 AromaticContact CD2-CD1 3.79Å; W251-F255 HydrophobicContact CD2-CD1 3.79Å; W251-F255 AromaticContact CD2-CE1 3.77Å; W251-F255 HydrophobicContact CD2-CE1 3.77Å; W251-F255 AromaticContact CE3-CD1 3.62Å; W251-F255 HydrophobicContact CE3-CD1 3.62Å; W251-F255 AromaticContact CE3-CE1 3.7Å; W251-F255 HydrophobicContact CE3-CE1 3.7Å; W251-F255 AromaticContact CG-CD1 3.9Å; W251-F255 HydrophobicContact CG-CD1 3.9Å; W251-F255 HydrophobicContact CG-CE1 4.15Å; W251-F255 HydrophobicContact CZ3-CD1 4.43Å; W251-F255 HydrophobicContact CZ3-CE1 4.18Å; S252-F255 PolarHBondContact O-N 3.46Å; S252-F255 PolarHBondContact OG-N 2.66Å; D253-F255 VanDerWaalsContact C-N 3.31Å; D253-F255 PolarHBondContact O-N 2.99Å; F255-N257 VanDerWaalsContact C-N 3.35Å; F255-N257 PolarHBondContact O-N 2.96Å; F255-F258 WeakPolarHBondContact O-CB 3.39Å; F255-F258 PolarHBondContact O-N 3.09Å; F255-V259 HydrophobicContact CD2-CG2 4.04Å; F255-V259 HydrophobicContact CE2-CG2 3.66Å; F255-V259 HydrophobicContact CZ-CG2 4.26Å; F255-V259 PolarHBondContact O-N 3.46Å; F255-V259 VanDerWaalsContact O-N 3.08Å; F255-F281 HydrophobicContact CB-CD2 3.64Å; F255-F281 HydrophobicContact CB-CE2 3.56Å; F255-F281 HydrophobicContact CB-CG 4.5Å; F255-F281 HydrophobicContact CB-CZ 4.36Å; F255-F281 HydrophobicContact CD1-CE2 4.35Å; F255-F281 HydrophobicContact CD2-CD1 4.14Å; F255-F281 AromaticContact CD2-CD2 3.86Å; F255-F281 HydrophobicContact CD2-CD2 3.86Å; F255-F281 AromaticContact CD2-CE1 3.63Å; F255-F281 HydrophobicContact CD2-CE1 3.63Å; F255-F281 AromaticContact CD2-CE2 3.31Å; F255-F281 HydrophobicContact CD2-CE2 3.31Å; F255-F281 HydrophobicContact CD2-CG 4.25Å; F255-F281 AromaticContact CD2-CZ 3.18Å; F255-F281 HydrophobicContact CD2-CZ 3.18Å; F255-F281 AromaticContact CE2-CE1 3.9Å; F255-F281 HydrophobicContact CE2-CE1 3.9Å; F255-F281 HydrophobicContact CE2-CE2 4.1Å; F255-F281 AromaticContact CE2-CZ 3.52Å; F255-F281 HydrophobicContact CE2-CZ 3.52Å; F255-F281 HydrophobicContact CG-CD2 4.02Å; F255-F281 AromaticContact CG-CE2 3.48Å; F255-F281 HydrophobicContact CG-CE2 3.48Å; F255-F281 VanDerWaalsContact CG-CE2 3.48Å; F255-F281 AromaticContact CG-CZ 3.82Å; F255-F281 HydrophobicContact CG-CZ 3.82Å; F255-F281 HydrophobicContact CZ-CZ 4.4Å |
| 256 | R | 97.8 | Very high | 95.2 | Very high | 39 Ų | 39 | 55.2 Ų | 55.2 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.7 | -50.4 | 174.6 | -66.3 | 174.3 | -159.3 | -66.4 | -16.5 | 111.4 | L246 S248 N249 W251 S252 D253 F258 V259 D260 | L246-R256 HydrophobicContact CD1-CG 4.37Å; S248-R256 PolarHBondContact O-NH1 3.06Å; S248-R256 PolarHBondContact O-NH2 3.34Å; N249-R256 PolarHBondContact O-NH2 2.91Å; W251-R256 HydrophobicContact CB-CG 4.49Å; W251-R256 VanDerWaalsContact O-CZ 3.3Å; W251-R256 PolarHBondContact O-NE 2.98Å; W251-R256 VanDerWaalsContact O-NE 3.1Å; W251-R256 PolarHBondContact O-NH2 3.35Å; S252-R256 PolarHBondContact O-N 2.9Å; D253-R256 PolarHBondContact O-N 3.27Å; R256-F258 VanDerWaalsContact C-N 3.27Å; R256-F258 PolarHBondContact O-N 3.04Å; R256-V259 PolarHBondContact O-N 2.82Å; R256-D260 VanDerWaalsContact O-CG 3.25Å; R256-D260 PolarHBondContact O-N 3.05Å |
| 257 | N | 97.5 | Very high | 95.2 | Very high | 70 Ų | 70 | 56.3 Ų | 56.3 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.7 | -36.3 | -178.8 | -174.1 | -115.1 | 0 | 0 | 0 | 112 | D253 F255 D260 F261 H279 | D253-N257 WeakPolarHBondContact O-CB 3.48Å; D253-N257 PolarHBondContact O-N 3.1Å; F255-N257 VanDerWaalsContact C-N 3.35Å; F255-N257 PolarHBondContact O-N 2.96Å; N257-D260 PolarHBondContact O-N 3.41Å; N257-F261 WeakPolarHBondContact O-CB 3.35Å; N257-F261 VanDerWaalsContact O-CD2 3.26Å; N257-F261 WeakPolarHBondContact O-CD2 3.43Å; N257-F261 PolarHBondContact O-N 3.28Å; N257-F261 WeakPolarHBondContact OD1-CD2 3.36Å; N257-F261 WeakPolarHBondContact OD1-CE2 3.49Å; N257-H279 PolarHBondContact OD1-NE2 3.32Å; N257-H279 VanDerWaalsContact OD1-NE2 3.15Å |
| 258 | F | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 172.7 | -176.1 | -88.6 | 0 | 0 | 0 | 112.3 | T133 L137 L212 A254 F255 R256 F261 C262 L276 H279 F281 V282 | T133-F258 HydrophobicContact CG2-CE1 3.49Å; T133-F258 VanDerWaalsContact CG2-CE1 3.49Å; T133-F258 HydrophobicContact CG2-CZ 3.54Å; L137-F258 HydrophobicContact CD2-CE2 4.43Å; L137-F258 HydrophobicContact CD2-CZ 4.35Å; L212-F258 HydrophobicContact CD2-CZ 4.48Å; A254-F258 WeakPolarHBondContact O-CB 3.23Å; A254-F258 PolarHBondContact O-N 3.2Å; A254-F258 VanDerWaalsContact O-N 3.11Å; F255-F258 WeakPolarHBondContact O-CB 3.39Å; F255-F258 PolarHBondContact O-N 3.09Å; R256-F258 VanDerWaalsContact C-N 3.27Å; R256-F258 PolarHBondContact O-N 3.04Å; F258-F261 PolarHBondContact O-N 3.49Å; F258-C262 VanDerWaalsContact CE1-SG 3.55Å; F258-C262 PolarHBondContact O-N 2.99Å; F258-C262 PolarHBondContact O-SG 2.9Å; F258-L276 HydrophobicContact CD2-CD2 4.06Å; F258-L276 HydrophobicContact CE2-CB 4.12Å; F258-L276 HydrophobicContact CE2-CD2 3.84Å; F258-L276 HydrophobicContact CE2-CG 4.41Å; F258-L276 HydrophobicContact CZ-CD1 4.5Å; F258-L276 HydrophobicContact CZ-CD2 4.46Å; F258-H279 HydrophobicContact CD2-CB 3.89Å; F258-H279 AromaticContact CD2-CG 3.65Å; F258-H279 AromaticContact CD2-ND1 3.57Å; F258-H279 HydrophobicContact CE2-CB 4.22Å; F258-F281 HydrophobicContact CB-CB 3.81Å; F258-F281 HydrophobicContact CB-CD1 3.89Å; F258-F281 HydrophobicContact CB-CG 4.01Å; F258-F281 AromaticContact CD1-CD1 3.75Å; F258-F281 HydrophobicContact CD1-CD1 3.75Å; F258-F281 HydrophobicContact CD1-CE1 4.15Å; F258-F281 HydrophobicContact CD2-CB 4.07Å; F258-F281 AromaticContact CD2-CD1 3.88Å; F258-F281 HydrophobicContact CD2-CD1 3.88Å; F258-F281 HydrophobicContact CD2-CG 4.43Å; F258-F281 HydrophobicContact CE1-CD1 4.26Å; F258-F281 HydrophobicContact CE2-CD1 4.35Å; F258-F281 HydrophobicContact CG-CB 4.09Å; F258-F281 AromaticContact CG-CD1 3.54Å; F258-F281 HydrophobicContact CG-CD1 3.54Å; F258-F281 HydrophobicContact CG-CE1 4.38Å; F258-F281 HydrophobicContact CG-CG 4.14Å; F258-V282 HydrophobicContact CD2-CG1 4.44Å; F258-V282 HydrophobicContact CE2-CG1 3.81Å; F258-V282 HydrophobicContact CZ-CG1 4.12Å |
| 259 | V | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64 | -46.3 | 178.1 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | C216 I217 L246 F255 R256 F261 C262 L263 | C216-V259 HydrophobicContact CB-CG2 3.82Å; I217-V259 HydrophobicContact CD1-CG1 4.03Å; I217-V259 HydrophobicContact CG1-CG1 3.9Å; L246-V259 HydrophobicContact CD1-CG2 4.01Å; L246-V259 HydrophobicContact CG-CG2 4.31Å; F255-V259 HydrophobicContact CD2-CG2 4.04Å; F255-V259 HydrophobicContact CE2-CG2 3.66Å; F255-V259 HydrophobicContact CZ-CG2 4.26Å; F255-V259 PolarHBondContact O-N 3.46Å; F255-V259 VanDerWaalsContact O-N 3.08Å; R256-V259 PolarHBondContact O-N 2.82Å; V259-F261 VanDerWaalsContact C-N 3.33Å; V259-F261 PolarHBondContact O-N 2.89Å; V259-C262 WeakPolarHBondContact O-CB 3.28Å; V259-C262 PolarHBondContact O-N 2.95Å; V259-C262 VanDerWaalsContact O-N 3.11Å; V259-L263 HydrophobicContact CG1-CD1 3.63Å; V259-L263 HydrophobicContact CG1-CG 4.34Å; V259-L263 WeakPolarHBondContact O-CB 3.38Å; V259-L263 WeakPolarHBondContact O-CG 3.45Å; V259-L263 PolarHBondContact O-N 3.27Å |
| 260 | D | 97.8 | Very high | 96.4 | Very high | 67 Ų | 67 | 52.4 Ų | 52.4 | 36% | 0.358 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 179 | -64.9 | -22.6 | 0 | 0 | 0 | 111.4 | R256 N257 C262 L263 L264 | R256-D260 VanDerWaalsContact O-CG 3.25Å; R256-D260 PolarHBondContact O-N 3.05Å; N257-D260 PolarHBondContact O-N 3.41Å; D260-C262 PolarHBondContact O-N 3.44Å; D260-L263 CarbonylContact O-C 3.59Å; D260-L263 PolarHBondContact O-N 2.9Å; D260-L264 PolarHBondContact O-N 3.46Å |
| 261 | F | 98 | Very high | 96.7 | Very high | 83 Ų | 83 | 46.3 Ų | 46.3 | 36% | 0.364 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.9 | -43 | 174.5 | -88.1 | -48.5 | 0 | 0 | 0 | 112.4 | N257 F258 V259 L263 L264 P271 L276 H279 | N257-F261 WeakPolarHBondContact O-CB 3.35Å; N257-F261 VanDerWaalsContact O-CD2 3.26Å; N257-F261 WeakPolarHBondContact O-CD2 3.43Å; N257-F261 PolarHBondContact O-N 3.28Å; N257-F261 WeakPolarHBondContact OD1-CD2 3.36Å; N257-F261 WeakPolarHBondContact OD1-CE2 3.49Å; F258-F261 PolarHBondContact O-N 3.49Å; V259-F261 VanDerWaalsContact C-N 3.33Å; V259-F261 PolarHBondContact O-N 2.89Å; F261-L263 PolarHBondContact O-N 3.25Å; F261-L264 HydrophobicContact CD1-CD1 4.01Å; F261-P271 HydrophobicContact CB-CG 4.07Å; F261-P271 VanDerWaalsContact O-CD 3.22Å; F261-P271 WeakPolarHBondContact O-CD 3.35Å; F261-L276 HydrophobicContact CB-CD2 4.35Å; F261-H279 AromaticContact CD2-CD2 3.86Å; F261-H279 AromaticContact CD2-NE2 3.58Å; F261-H279 AromaticContact CE2-NE2 3.94Å |
| 262 | C | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.5 | -31.9 | 177.4 | -67.9 | 0 | 0 | 0 | 0 | 112.2 | I209 W210 F258 V259 D260 R270 L276 | I209-C262 HydrophobicContact CG2-CB 4.14Å; W210-C262 WeakPolarHBondContact CA-O 3.37Å; F258-C262 VanDerWaalsContact CE1-SG 3.55Å; F258-C262 PolarHBondContact O-N 2.99Å; F258-C262 PolarHBondContact O-SG 2.9Å; V259-C262 WeakPolarHBondContact O-CB 3.28Å; V259-C262 PolarHBondContact O-N 2.95Å; V259-C262 VanDerWaalsContact O-N 3.11Å; D260-C262 PolarHBondContact O-N 3.44Å; C262-R270 WeakPolarHBondContact O-CD 3.46Å; C262-R270 PolarHBondContact O-NE 3.47Å; C262-L276 VanDerWaalsContact SG-CD1 3.55Å |
| 263 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 19.7 | -173.6 | -60.3 | 178.6 | 0 | 0 | 0 | 113.7 | W210 I214 I217 S243 P244 V259 D260 F261 K265 | W210-L263 HydrophobicContact CD2-CD2 3.75Å; W210-L263 HydrophobicContact CE3-CB 4.4Å; W210-L263 HydrophobicContact CE3-CD2 3.98Å; W210-L263 HydrophobicContact CG-CD2 4.12Å; W210-L263 HydrophobicContact CZ2-CD2 4.32Å; W210-L263 HydrophobicContact CZ3-CB 4.25Å; W210-L263 HydrophobicContact CZ3-CD2 4.38Å; W210-L263 WeakPolarHBondContact CZ3-O 3.44Å; W210-L263 WeakPolarHBondContact O-CD2 3.31Å; I214-L263 HydrophobicContact CD1-CD1 4.2Å; I214-L263 HydrophobicContact CD1-CD2 3.64Å; I214-L263 HydrophobicContact CG1-CD2 3.9Å; I217-L263 HydrophobicContact CD1-CD1 3.69Å; S243-L263 WeakPolarHBondContact CB-O 3.48Å; S243-L263 PolarHBondContact OG-O 2.96Å; P244-L263 HydrophobicContact CG-CD1 4.1Å; P244-L263 WeakPolarHBondContact O-CD1 3.46Å; V259-L263 HydrophobicContact CG1-CD1 3.63Å; V259-L263 HydrophobicContact CG1-CG 4.34Å; V259-L263 WeakPolarHBondContact O-CB 3.38Å; V259-L263 WeakPolarHBondContact O-CG 3.45Å; V259-L263 PolarHBondContact O-N 3.27Å; D260-L263 CarbonylContact O-C 3.59Å; D260-L263 PolarHBondContact O-N 2.9Å; F261-L263 PolarHBondContact O-N 3.25Å; L263-K265 PolarHBondContact O-N 2.86Å; L263-K265 VanDerWaalsContact O-N 3.15Å |
| 264 | L | 97.7 | Very high | 96.8 | Very high | 58 Ų | 58 | 41.1 Ų | 41.1 | 30% | 0.304 | 22% | 0.221 | S | C | . | . | trans | -60.9 | 117.7 | 165.7 | -70.4 | 174.3 | 0 | 0 | 0 | 109.6 | D260 F261 I266 D269 R270 | D260-L264 PolarHBondContact O-N 3.46Å; F261-L264 HydrophobicContact CD1-CD1 4.01Å; L264-I266 VanDerWaalsContact C-N 3.34Å; L264-I266 PolarHBondContact O-N 3.4Å; L264-D269 HydrophobicContact CD1-CB 4.13Å; L264-D269 WeakPolarHBondContact CD1-O 3.24Å; L264-R270 HydrophobicContact CB-CB 4.11Å; L264-R270 HydrophobicContact CB-CG 4.46Å; L264-R270 VanDerWaalsContact O-CZ 3.3Å; L264-R270 PolarHBondContact O-NE 3.36Å; L264-R270 PolarHBondContact O-NH2 2.98Å | ||
| 265 | K | 93.3 | Very high | 96.9 | Very high | 57 Ų | 57 | 44.8 Ų | 44.8 | 25% | 0.248 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -63.8 | -37.8 | -175.6 | -72.5 | -169.2 | 70.8 | 171.4 | 0 | 112.7 | P192 W210 I238 A239 N241 L263 P267 R270 | P192-K265 HydrophobicContact CG-CB 4.49Å; P192-K265 HydrophobicContact CG-CG 4.24Å; W210-K265 HydrophobicContact CH2-CG 3.93Å; W210-K265 HydrophobicContact CZ3-CB 4.45Å; W210-K265 HydrophobicContact CZ3-CG 3.85Å; I238-K265 PolarHBondContact O-NZ 3.42Å; A239-K265 PolarHBondContact O-NZ 2.92Å; N241-K265 WeakPolarHBondContact O-CD 3.47Å; N241-K265 PolarHBondContact O-NZ 3.19Å; L263-K265 PolarHBondContact O-N 2.86Å; L263-K265 VanDerWaalsContact O-N 3.15Å; K265-P267 WeakPolarHBondContact O-CD 3.37Å; K265-R270 PolarHBondContact O-NH2 3.3Å |
| 266 | I | 90.9 | Very high | 96.8 | Very high | 94 Ų | 94 | 45 Ų | 45 | 48% | 0.482 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -78.1 | 117.5 | 178.5 | -61.3 | 179.4 | 0 | 0 | 0 | 108.5 | L264 Q268 D269 R270 | L264-I266 VanDerWaalsContact C-N 3.34Å; L264-I266 PolarHBondContact O-N 3.4Å; I266-Q268 HydrophobicContact CG2-CB 4.21Å; I266-Q268 PolarHBondContact O-N 3.39Å; I266-D269 HydrophobicContact CB-CB 4.43Å; I266-D269 WeakPolarHBondContact CB-OD2 3.4Å; I266-D269 PolarHBondContact O-N 2.96Å; I266-D269 VanDerWaalsContact O-N 3.13Å; I266-R270 PolarHBondContact O-N 2.94Å; I266-R270 VanDerWaalsContact O-N 3.16Å |
| 267 | P | 93.3 | Very high | 96.8 | Very high | 35 Ų | 35 | 45 Ų | 45 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -28.5 | -175.2 | -24.3 | 35 | 0 | 0 | 0 | 113.8 | E193 K206 K265 D269 R270 | E193-P267 HydrophobicContact CB-CG 3.93Å; E193-P267 HydrophobicContact CG-CG 3.87Å; K206-P267 WeakPolarHBondContact CD-O 3.49Å; K206-P267 WeakPolarHBondContact CE-O 3.27Å; K206-P267 PolarHBondContact NZ-O 3.22Å; K265-P267 WeakPolarHBondContact O-CD 3.37Å; P267-D269 VanDerWaalsContact C-N 3.31Å; P267-D269 PolarHBondContact O-N 3.46Å; P267-R270 PolarHBondContact O-N 2.93Å |
| 268 | Q | 93.3 | Very high | 96.8 | Very high | 145 Ų | 145 | 49.4 Ų | 49.4 | 68% | 0.678 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -39 | 177.4 | -67 | 78.4 | 8.5 | 0 | 0 | 111.4 | K206 I266 | K206-Q268 PolarHBondContact NZ-O 2.64Å; I266-Q268 HydrophobicContact CG2-CB 4.21Å; I266-Q268 PolarHBondContact O-N 3.39Å |
| 269 | D | 95.9 | Very high | 96.8 | Very high | 101 Ų | 101 | 50.6 Ų | 50.6 | 54% | 0.54 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -26.5 | -179 | -57.1 | -30.9 | 0 | 0 | 0 | 112.2 | L264 I266 P267 | L264-D269 HydrophobicContact CD1-CB 4.13Å; L264-D269 WeakPolarHBondContact CD1-O 3.24Å; I266-D269 HydrophobicContact CB-CB 4.43Å; I266-D269 WeakPolarHBondContact CB-OD2 3.4Å; I266-D269 PolarHBondContact O-N 2.96Å; I266-D269 VanDerWaalsContact O-N 3.13Å; P267-D269 VanDerWaalsContact C-N 3.31Å; P267-D269 PolarHBondContact O-N 3.46Å |
| 270 | R | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -65.3 | 128 | 177.2 | -163.8 | -175.7 | -57 | 147.1 | 9.4 | 110.4 | E193 K206 I209 C262 L264 K265 I266 P267 | E193-R270 IonicContact OE1-CZ 2.9Å; E193-R270 IonicContact OE1-NH1 2.89Å; E193-R270 PolarHBondContact OE1-NH1 3.35Å; E193-R270 IonicContact OE1-NH2 2.68Å; E193-R270 PolarHBondContact OE1-NH2 2.92Å; E193-R270 IonicContact OE2-CZ 2.8Å; E193-R270 IonicContact OE2-NH1 3.8Å; E193-R270 IonicContact OE2-NH2 2.63Å; E193-R270 PolarHBondContact OE2-NH2 3.03Å; K206-R270 WeakPolarHBondContact CD-O 3.46Å; K206-R270 VanDerWaalsContact CE-O 3.25Å; K206-R270 WeakPolarHBondContact CE-O 3.5Å; K206-R270 PolarHBondContact NZ-O 3.07Å; K206-R270 WeakPolarHBondContact O-CD 3.46Å; K206-R270 PolarHBondContact O-NH1 3.48Å; I209-R270 HydrophobicContact CG2-CG 4.08Å; C262-R270 WeakPolarHBondContact O-CD 3.46Å; C262-R270 PolarHBondContact O-NE 3.47Å; L264-R270 HydrophobicContact CB-CB 4.11Å; L264-R270 HydrophobicContact CB-CG 4.46Å; L264-R270 VanDerWaalsContact O-CZ 3.3Å; L264-R270 PolarHBondContact O-NE 3.36Å; L264-R270 PolarHBondContact O-NH2 2.98Å; K265-R270 PolarHBondContact O-NH2 3.3Å; I266-R270 PolarHBondContact O-N 2.94Å; I266-R270 VanDerWaalsContact O-N 3.16Å; P267-R270 PolarHBondContact O-N 2.93Å |
| 271 | P | 97.8 | Very high | 96.7 | Very high | 18 Ų | 18 | 53.8 Ų | 53.8 | 12% | 0.117 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 153 | 178.9 | 28.1 | -34.1 | 0 | 0 | 0 | 111.9 | F261 E275 L276 | F261-P271 HydrophobicContact CB-CG 4.07Å; F261-P271 VanDerWaalsContact O-CD 3.22Å; F261-P271 WeakPolarHBondContact O-CD 3.35Å; P271-E275 HydrophobicContact CB-CB 3.96Å; P271-L276 HydrophobicContact CB-CD2 4.32Å; P271-L276 HydrophobicContact CB-CG 4.03Å; P271-L276 HydrophobicContact CG-CD1 4.01Å; P271-L276 HydrophobicContact CG-CD2 3.61Å; P271-L276 HydrophobicContact CG-CG 3.64Å |
| 272 | S | 98.2 | Very high | 96.6 | Very high | 40 Ų | 40 | 50 Ų | 50 | 28% | 0.28 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -71 | 163.8 | 170.3 | 64.2 | 0 | 0 | 0 | 0 | 112.1 | G274 E275 L276 | S272-G274 VanDerWaalsContact C-N 3.26Å; S272-G274 PolarHBondContact O-N 3.37Å; S272-E275 WeakPolarHBondContact CB-OE2 3.39Å; S272-E275 PolarHBondContact N-OE2 2.91Å; S272-E275 PolarHBondContact O-N 3.08Å; S272-E275 VanDerWaalsContact O-N 3.15Å; S272-E275 VanDerWaalsContact OG-CD 3.3Å; S272-E275 WeakPolarHBondContact OG-CG 3.33Å; S272-E275 PolarHBondContact OG-N 3.45Å; S272-E275 PolarHBondContact OG-OE2 2.74Å; S272-L276 PolarHBondContact O-N 3.28Å |
| 273 | S | 97.8 | Very high | 96.4 | Very high | 6 Ų | 6 | 58.6 Ų | 58.6 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.1 | -41.3 | 173.3 | 37.8 | 0 | 0 | 0 | 0 | 112.2 | A141 H144 E275 L276 L277 | A141-S273 WeakPolarHBondContact CA-OG 3.47Å; H144-S273 PolarHBondContact ND1-OG 3.5Å; S273-E275 PolarHBondContact O-N 2.93Å; S273-L276 PolarHBondContact O-N 3.43Å; S273-L277 WeakPolarHBondContact O-CG 3.38Å; S273-L277 PolarHBondContact O-N 2.8Å; S273-L277 VanDerWaalsContact O-N 3.11Å |
| 274 | G | 96.6 | Very high | 96.1 | Very high | 36 Ų | 36 | 62.7 Ų | 62.7 | 37% | 0.371 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.8 | -34.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S272 | S272-G274 VanDerWaalsContact C-N 3.26Å; S272-G274 PolarHBondContact O-N 3.37Å |
| 275 | E | 97.7 | Very high | 95.7 | Very high | 91 Ų | 91 | 68.7 Ų | 68.7 | 43% | 0.425 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.6 | -45.4 | 174.4 | -75.7 | 161.6 | 142.2 | 0 | 0 | 111.8 | P271 S272 S273 L277 R278 | P271-E275 HydrophobicContact CB-CB 3.96Å; S272-E275 WeakPolarHBondContact CB-OE2 3.39Å; S272-E275 PolarHBondContact N-OE2 2.91Å; S272-E275 PolarHBondContact O-N 3.08Å; S272-E275 VanDerWaalsContact O-N 3.15Å; S272-E275 VanDerWaalsContact OG-CD 3.3Å; S272-E275 WeakPolarHBondContact OG-CG 3.33Å; S272-E275 PolarHBondContact OG-N 3.45Å; S272-E275 PolarHBondContact OG-OE2 2.74Å; S273-E275 PolarHBondContact O-N 2.93Å; E275-L277 VanDerWaalsContact C-N 3.28Å; E275-L277 PolarHBondContact O-N 2.93Å; E275-R278 WeakPolarHBondContact O-CB 3.3Å; E275-R278 PolarHBondContact O-N 3.19Å |
| 276 | L | 98.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 68.9 Ų | 68.9 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.2 | -25.8 | 179.5 | -76.1 | 173.5 | 0 | 0 | 0 | 113.6 | L137 I209 F258 F261 C262 P271 S272 S273 R278 H279 V282 | L137-L276 HydrophobicContact CD1-CB 4.15Å; L137-L276 HydrophobicContact CD2-CB 3.61Å; L137-L276 HydrophobicContact CG-CB 4.49Å; I209-L276 HydrophobicContact CD1-CD1 4.25Å; I209-L276 HydrophobicContact CG2-CD1 3.36Å; F258-L276 HydrophobicContact CD2-CD2 4.06Å; F258-L276 HydrophobicContact CE2-CB 4.12Å; F258-L276 HydrophobicContact CE2-CD2 3.84Å; F258-L276 HydrophobicContact CE2-CG 4.41Å; F258-L276 HydrophobicContact CZ-CD1 4.5Å; F258-L276 HydrophobicContact CZ-CD2 4.46Å; F261-L276 HydrophobicContact CB-CD2 4.35Å; C262-L276 VanDerWaalsContact SG-CD1 3.55Å; P271-L276 HydrophobicContact CB-CD2 4.32Å; P271-L276 HydrophobicContact CB-CG 4.03Å; P271-L276 HydrophobicContact CG-CD1 4.01Å; P271-L276 HydrophobicContact CG-CD2 3.61Å; P271-L276 HydrophobicContact CG-CG 3.64Å; S272-L276 PolarHBondContact O-N 3.28Å; S273-L276 PolarHBondContact O-N 3.43Å; L276-R278 PolarHBondContact O-N 3.4Å; L276-R278 VanDerWaalsContact O-N 3.11Å; L276-H279 WeakPolarHBondContact O-CB 3.39Å; L276-H279 PolarHBondContact O-N 3.5Å; L276-V282 VanDerWaalsContact O-CG2 3.28Å; L276-V282 WeakPolarHBondContact O-CG2 3.39Å |
| 277 | L | 97.7 | Very high | 95.8 | Very high | 39 Ų | 39 | 67.1 Ų | 67.1 | 20% | 0.204 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -20.6 | 172 | -78.8 | 172.3 | 0 | 0 | 0 | 112.4 | L137 L138 A141 S273 E275 | L137-L277 HydrophobicContact CB-CD2 4.18Å; L137-L277 HydrophobicContact CD2-CD2 3.9Å; L137-L277 HydrophobicContact CD2-CG 4.01Å; L137-L277 HydrophobicContact CG-CD2 3.87Å; L137-L277 HydrophobicContact CG-CG 3.97Å; L138-L277 HydrophobicContact CD2-CD1 4.08Å; L138-L277 HydrophobicContact CD2-CD2 3.66Å; L138-L277 HydrophobicContact CG-CD2 3.89Å; A141-L277 HydrophobicContact CB-CD1 3.69Å; S273-L277 WeakPolarHBondContact O-CG 3.38Å; S273-L277 PolarHBondContact O-N 2.8Å; S273-L277 VanDerWaalsContact O-N 3.11Å; E275-L277 VanDerWaalsContact C-N 3.28Å; E275-L277 PolarHBondContact O-N 2.93Å |
| 278 | R | 97.1 | Very high | 95.7 | Very high | 163 Ų | 163 | 71.4 Ų | 71.4 | 62% | 0.615 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -4.5 | 177.6 | -60.1 | -179 | -70.3 | -170.5 | -1 | 113.3 | E275 L276 R283 | E275-R278 WeakPolarHBondContact O-CB 3.3Å; E275-R278 PolarHBondContact O-N 3.19Å; L276-R278 PolarHBondContact O-N 3.4Å; L276-R278 VanDerWaalsContact O-N 3.11Å; R278-R283 VanDerWaalsContact O-CD 3.24Å; R278-R283 WeakPolarHBondContact O-CD 3.36Å |
| 279 | H | 98.1 | Very high | 95.7 | Very high | 25 Ų | 25 | 71.8 Ų | 71.8 | 12% | 0.116 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -69.2 | 144.9 | -176.5 | -165.6 | -82.1 | 0 | 0 | 0 | 112.1 | A254 N257 F258 F261 L276 F281 V282 R283 | A254-H279 PolarHBondContact O-CE1 3.13Å; N257-H279 PolarHBondContact OD1-NE2 3.32Å; N257-H279 VanDerWaalsContact OD1-NE2 3.15Å; F258-H279 HydrophobicContact CD2-CB 3.89Å; F258-H279 AromaticContact CD2-CG 3.65Å; F258-H279 AromaticContact CD2-ND1 3.57Å; F258-H279 HydrophobicContact CE2-CB 4.22Å; F261-H279 AromaticContact CD2-CD2 3.86Å; F261-H279 AromaticContact CD2-NE2 3.58Å; F261-H279 AromaticContact CE2-NE2 3.94Å; L276-H279 WeakPolarHBondContact O-CB 3.39Å; L276-H279 PolarHBondContact O-N 3.5Å; H279-F281 VanDerWaalsContact C-N 3.34Å; H279-F281 PolarHBondContact ND1-N 3.32Å; H279-F281 PolarHBondContact O-N 2.91Å; H279-V282 HydrophobicContact CB-CG2 4.42Å; H279-V282 WeakPolarHBondContact O-CG2 3.41Å; H279-V282 PolarHBondContact O-N 3.03Å; H279-R283 PolarHBondContact O-N 3.05Å |
| 280 | E | 96.8 | Very high | 95.7 | Very high | 135 Ų | 135 | 68.4 Ų | 68.4 | 63% | 0.631 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -55.1 | -46.5 | -176.2 | -174.4 | -178.3 | 163.3 | 0 | 0 | 112.5 | A254 V282 R283 R284 | A254-E280 HydrophobicContact CB-CG 4.38Å; E280-V282 VanDerWaalsContact C-N 3.31Å; E280-V282 PolarHBondContact O-N 3.03Å; E280-R283 PolarHBondContact O-N 2.83Å; E280-R283 VanDerWaalsContact O-N 3.11Å; E280-R284 PolarHBondContact O-N 3.38Å |
| 281 | F | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -48.1 | -46.6 | 178.7 | 178.2 | -118.1 | 0 | 0 | 0 | 114.4 | E126 I129 A130 T133 F255 F258 H279 | E126-F281 HydrophobicContact CG-CE2 3.95Å; I129-F281 HydrophobicContact CB-CZ 4.47Å; I129-F281 HydrophobicContact CG2-CZ 4.11Å; A130-F281 HydrophobicContact CB-CD2 4.31Å; A130-F281 HydrophobicContact CB-CE1 4.13Å; A130-F281 HydrophobicContact CB-CE2 3.76Å; A130-F281 HydrophobicContact CB-CZ 3.65Å; T133-F281 HydrophobicContact CG2-CE1 4.27Å; F255-F281 HydrophobicContact CB-CD2 3.64Å; F255-F281 HydrophobicContact CB-CE2 3.56Å; F255-F281 HydrophobicContact CB-CG 4.5Å; F255-F281 HydrophobicContact CB-CZ 4.36Å; F255-F281 HydrophobicContact CD1-CE2 4.35Å; F255-F281 HydrophobicContact CD2-CD1 4.14Å; F255-F281 AromaticContact CD2-CD2 3.86Å; F255-F281 HydrophobicContact CD2-CD2 3.86Å; F255-F281 AromaticContact CD2-CE1 3.63Å; F255-F281 HydrophobicContact CD2-CE1 3.63Å; F255-F281 AromaticContact CD2-CE2 3.31Å; F255-F281 HydrophobicContact CD2-CE2 3.31Å; F255-F281 HydrophobicContact CD2-CG 4.25Å; F255-F281 AromaticContact CD2-CZ 3.18Å; F255-F281 HydrophobicContact CD2-CZ 3.18Å; F255-F281 AromaticContact CE2-CE1 3.9Å; F255-F281 HydrophobicContact CE2-CE1 3.9Å; F255-F281 HydrophobicContact CE2-CE2 4.1Å; F255-F281 AromaticContact CE2-CZ 3.52Å; F255-F281 HydrophobicContact CE2-CZ 3.52Å; F255-F281 HydrophobicContact CG-CD2 4.02Å; F255-F281 AromaticContact CG-CE2 3.48Å; F255-F281 HydrophobicContact CG-CE2 3.48Å; F255-F281 VanDerWaalsContact CG-CE2 3.48Å; F255-F281 AromaticContact CG-CZ 3.82Å; F255-F281 HydrophobicContact CG-CZ 3.82Å; F255-F281 HydrophobicContact CZ-CZ 4.4Å; F258-F281 HydrophobicContact CB-CB 3.81Å; F258-F281 HydrophobicContact CB-CD1 3.89Å; F258-F281 HydrophobicContact CB-CG 4.01Å; F258-F281 AromaticContact CD1-CD1 3.75Å; F258-F281 HydrophobicContact CD1-CD1 3.75Å; F258-F281 HydrophobicContact CD1-CE1 4.15Å; F258-F281 HydrophobicContact CD2-CB 4.07Å; F258-F281 AromaticContact CD2-CD1 3.88Å; F258-F281 HydrophobicContact CD2-CD1 3.88Å; F258-F281 HydrophobicContact CD2-CG 4.43Å; F258-F281 HydrophobicContact CE1-CD1 4.26Å; F258-F281 HydrophobicContact CE2-CD1 4.35Å; F258-F281 HydrophobicContact CG-CB 4.09Å; F258-F281 AromaticContact CG-CD1 3.54Å; F258-F281 HydrophobicContact CG-CD1 3.54Å; F258-F281 HydrophobicContact CG-CE1 4.38Å; F258-F281 HydrophobicContact CG-CG 4.14Å; H279-F281 VanDerWaalsContact C-N 3.34Å; H279-F281 PolarHBondContact ND1-N 3.32Å; H279-F281 PolarHBondContact O-N 2.91Å |
| 282 | V | 96.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 71.6 Ų | 71.6 | 2% | 0.024 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -87.8 | -20.4 | -177.6 | -64.2 | 0 | 0 | 0 | 0 | 113.2 | T133 H134 F258 L276 H279 E280 | T133-V282 HydrophobicContact CG2-CG1 4.11Å; H134-V282 HydrophobicContact CB-CB 4.12Å; H134-V282 HydrophobicContact CB-CG1 4.32Å; F258-V282 HydrophobicContact CD2-CG1 4.44Å; F258-V282 HydrophobicContact CE2-CG1 3.81Å; F258-V282 HydrophobicContact CZ-CG1 4.12Å; L276-V282 VanDerWaalsContact O-CG2 3.28Å; L276-V282 WeakPolarHBondContact O-CG2 3.39Å; H279-V282 HydrophobicContact CB-CG2 4.42Å; H279-V282 WeakPolarHBondContact O-CG2 3.41Å; H279-V282 PolarHBondContact O-N 3.03Å; E280-V282 VanDerWaalsContact C-N 3.31Å; E280-V282 PolarHBondContact O-N 3.03Å |
| 283 | R | 93.7 | Very high | 95.5 | Very high | 179 Ų | 179 | 72.8 Ų | 72.8 | 68% | 0.675 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -87.3 | -14 | 177 | -74.5 | -173.5 | 65 | 165.5 | 1.5 | 114 | R278 H279 E280 E285 | R278-R283 VanDerWaalsContact O-CD 3.24Å; R278-R283 WeakPolarHBondContact O-CD 3.36Å; H279-R283 PolarHBondContact O-N 3.05Å; E280-R283 PolarHBondContact O-N 2.83Å; E280-R283 VanDerWaalsContact O-N 3.11Å; R283-E285 PolarHBondContact O-N 3.39Å |
| 284 | R | 91 | Very high | 95.5 | Very high | 86 Ų | 86 | 72.5 Ų | 72.5 | 33% | 0.325 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -53.5 | 131.8 | 179.5 | -170.2 | 165 | 86.3 | -162.7 | 1.8 | 110.2 | E126 M127 E280 R286 | E126-R284 IonicContact OE1-CZ 4Å; E126-R284 VanDerWaalsContact OE1-CZ 3.27Å; E126-R284 IonicContact OE1-NH1 3.28Å; E126-R284 PolarHBondContact OE1-NH1 3.42Å; E126-R284 IonicContact OE1-NH2 2.74Å; E126-R284 PolarHBondContact OE1-NH2 3Å; M127-R284 PolarHBondContact SD-NE 3.4Å; M127-R284 PolarHBondContact SD-NH2 3.46Å; E280-R284 PolarHBondContact O-N 3.38Å; R284-R286 PolarHBondContact O-N 3.29Å |
| 285 | E | 91.2 | Very high | 95.5 | Very high | 185 Ų | 185 | 71 Ų | 71 | 86% | 0.864 | 33% | 0.327 | S | S | * | . | trans | -60.4 | 138.3 | 179.3 | -170.3 | 173.9 | -172.6 | 0 | 0 | 110.4 | M127 R283 | M127-E285 WeakPolarHBondContact CE-O 3.47Å; R283-E285 PolarHBondContact O-N 3.39Å | ||
| 286 | R | 93 | Very high | 95.3 | Very high | 61 Ų | 61 | 70.7 Ų | 70.7 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | trans | -150 | 155 | -175.6 | 68.6 | -170.5 | 169.1 | -143.3 | -7 | 111.4 | M127 A130 A131 H134 R284 | M127-R286 HydrophobicContact CE-CB 3.13Å; M127-R286 HydrophobicContact CE-CG 4.4Å; A130-R286 PolarHBondContact O-NH1 2.98Å; A131-R286 VanDerWaalsContact N-NH1 3.15Å; H134-R286 VanDerWaalsContact CG-NH2 3.28Å; H134-R286 PolarHBondContact ND1-NH2 3.45Å; R284-R286 PolarHBondContact O-N 3.29Å | ||
| 287 | S | 93.3 | Very high | 95.2 | Very high | 57 Ų | 57 | 74.5 Ų | 74.5 | 40% | 0.399 | 34% | 0.34 | S | S | . | . | trans | -55.5 | 129.7 | 173.3 | 175.5 | 0 | 0 | 0 | 0 | 109.9 | R289 I290 | S287-R289 PolarHBondContact O-N 2.89Å; S287-R289 VanDerWaalsContact O-N 3.14Å; S287-R289 PolarHBondContact OG-N 3.39Å; S287-I290 WeakPolarHBondContact O-CB 3.48Å; S287-I290 WeakPolarHBondContact O-CG2 3.31Å; S287-I290 PolarHBondContact O-N 3.26Å; S287-I290 VanDerWaalsContact O-N 3.07Å | ||
| 288 | P | 89.3 | Confident | 95 | Very high | 125 Ų | 125 | 72.7 Ų | 72.7 | 81% | 0.812 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -17.6 | 174.1 | 27.4 | -34.2 | 0 | 0 | 0 | 111.8 | ||
| 289 | R | 94.4 | Very high | 94.9 | Very high | 153 Ų | 153 | 65.3 Ų | 65.3 | 58% | 0.577 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -1.6 | 177 | -61.7 | -176.7 | 63.9 | 151.6 | 5.8 | 113.8 | S287 L291 I292 D293 | S287-R289 PolarHBondContact O-N 2.89Å; S287-R289 VanDerWaalsContact O-N 3.14Å; S287-R289 PolarHBondContact OG-N 3.39Å; R289-L291 VanDerWaalsContact C-N 3.29Å; R289-L291 PolarHBondContact O-N 2.93Å; R289-L291 VanDerWaalsContact O-N 3.13Å; R289-I292 CarbonylContact O-C 3.45Å; R289-I292 WeakPolarHBondContact O-CA 3.39Å; R289-I292 WeakPolarHBondContact O-CB 3.41Å; R289-I292 PolarHBondContact O-N 3.18Å; R289-D293 WeakPolarHBondContact CB-OD2 3.42Å; R289-D293 IonicContact NE-OD1 3.68Å; R289-D293 IonicContact NH2-OD1 3.74Å; R289-D293 WeakPolarHBondContact O-CB 3.25Å; R289-D293 PolarHBondContact O-N 2.99Å |
| 290 | I | 96.8 | Very high | 94.6 | Very high | 30 Ų | 30 | 67.4 Ų | 67.4 | 15% | 0.154 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -52.8 | -43.2 | -171.2 | -166.8 | 66.3 | 0 | 0 | 0 | 113.6 | M127 E128 A131 S287 L294 | M127-I290 HydrophobicContact CB-CD1 4.16Å; M127-I290 HydrophobicContact CB-CG1 4.25Å; E128-I290 HydrophobicContact CG-CD1 4.4Å; E128-I290 HydrophobicContact CG-CG1 4.18Å; A131-I290 HydrophobicContact CB-CG2 3.77Å; S287-I290 WeakPolarHBondContact O-CB 3.48Å; S287-I290 WeakPolarHBondContact O-CG2 3.31Å; S287-I290 PolarHBondContact O-N 3.26Å; S287-I290 VanDerWaalsContact O-N 3.07Å; I290-L294 WeakPolarHBondContact O-CB 3.42Å; I290-L294 PolarHBondContact O-N 3.22Å; I290-L294 VanDerWaalsContact O-N 3.08Å |
| 291 | L | 97.2 | Very high | 94.4 | Very high | 15 Ų | 15 | 62.3 Ų | 62.3 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -78.3 | -32.1 | 178.3 | -65 | -176.9 | 0 | 0 | 0 | 112.6 | A131 I132 L160 G164 V166 R289 L294 I295 | A131-L291 HydrophobicContact CB-CD1 4Å; A131-L291 HydrophobicContact CB-CD2 3.75Å; A131-L291 HydrophobicContact CB-CG 3.8Å; I132-L291 HydrophobicContact CG1-CD2 3.89Å; L160-L291 HydrophobicContact CD2-CD2 4.25Å; G164-L291 WeakPolarHBondContact O-CD1 3.38Å; V166-L291 HydrophobicContact CG2-CD1 3.6Å; R289-L291 VanDerWaalsContact C-N 3.29Å; R289-L291 PolarHBondContact O-N 2.93Å; R289-L291 VanDerWaalsContact O-N 3.13Å; L291-L294 HydrophobicContact CD2-CD2 4.23Å; L291-L294 PolarHBondContact O-N 3.43Å; L291-I295 WeakPolarHBondContact O-CB 3.45Å; L291-I295 WeakPolarHBondContact O-CD1 3.46Å; L291-I295 WeakPolarHBondContact O-CG1 3.33Å; L291-I295 PolarHBondContact O-N 3.01Å |
| 292 | I | 96.3 | Very high | 94 | Very high | 70 Ų | 70 | 62.3 Ų | 62.3 | 36% | 0.359 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.4 | -44.5 | 174.9 | -60.2 | 173.1 | 0 | 0 | 0 | 109.7 | R289 I295 Q296 | R289-I292 CarbonylContact O-C 3.45Å; R289-I292 WeakPolarHBondContact O-CA 3.39Å; R289-I292 WeakPolarHBondContact O-CB 3.41Å; R289-I292 PolarHBondContact O-N 3.18Å; I292-I295 WeakPolarHBondContact O-CB 3.36Å; I292-I295 PolarHBondContact O-N 2.63Å; I292-Q296 PolarHBondContact O-N 2.93Å |
| 293 | D | 96.4 | Very high | 93.6 | Very high | 65 Ų | 65 | 67.3 Ų | 67.3 | 35% | 0.348 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.3 | -36.7 | 178.9 | -59.7 | -22.4 | 0 | 0 | 0 | 110.9 | R289 R297 | R289-D293 WeakPolarHBondContact CB-OD2 3.42Å; R289-D293 IonicContact NE-OD1 3.68Å; R289-D293 IonicContact NH2-OD1 3.74Å; R289-D293 WeakPolarHBondContact O-CB 3.25Å; R289-D293 PolarHBondContact O-N 2.99Å; D293-R297 WeakPolarHBondContact O-CB 3.38Å; D293-R297 PolarHBondContact O-N 3.04Å |
| 294 | L | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.9 | -47.7 | 169.5 | 169.9 | 61.4 | 0 | 0 | 0 | 111.8 | L116 L124 E128 I132 I290 L291 Q296 R297 T298 | L116-L294 HydrophobicContact CD2-CD1 3.86Å; L116-L294 HydrophobicContact CD2-CD2 4.1Å; L116-L294 HydrophobicContact CD2-CG 3.8Å; L124-L294 HydrophobicContact CD1-CD2 4.46Å; L124-L294 HydrophobicContact CD2-CD1 4.18Å; E128-L294 HydrophobicContact CB-CD2 4.11Å; E128-L294 HydrophobicContact CG-CB 4.45Å; E128-L294 HydrophobicContact CG-CD2 4.15Å; E128-L294 WeakPolarHBondContact OE1-CD1 3.39Å; I132-L294 HydrophobicContact CD1-CD2 4.45Å; I290-L294 WeakPolarHBondContact O-CB 3.42Å; I290-L294 PolarHBondContact O-N 3.22Å; I290-L294 VanDerWaalsContact O-N 3.08Å; L291-L294 HydrophobicContact CD2-CD2 4.23Å; L291-L294 PolarHBondContact O-N 3.43Å; L294-Q296 VanDerWaalsContact C-N 3.35Å; L294-Q296 PolarHBondContact O-N 3.38Å; L294-R297 PolarHBondContact O-N 2.92Å; L294-T298 WeakPolarHBondContact O-CB 3.32Å; L294-T298 PolarHBondContact O-N 3.48Å; L294-T298 PolarHBondContact O-OG1 3.33Å |
| 295 | I | 95.8 | Very high | 93 | Very high | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.9 | -48.1 | 177.6 | -76 | 162.8 | 0 | 0 | 0 | 110.5 | L110 L160 T161 L291 I292 R297 T298 K299 | L110-I295 HydrophobicContact CD2-CB 4.25Å; L110-I295 HydrophobicContact CD2-CG1 3.96Å; L110-I295 HydrophobicContact CD2-CG2 3.59Å; L160-I295 HydrophobicContact CB-CD1 4.45Å; L160-I295 HydrophobicContact CD2-CD1 4.47Å; L160-I295 HydrophobicContact CD2-CG1 4.5Å; T161-I295 WeakPolarHBondContact O-CD1 3.49Å; L291-I295 WeakPolarHBondContact O-CB 3.45Å; L291-I295 WeakPolarHBondContact O-CD1 3.46Å; L291-I295 WeakPolarHBondContact O-CG1 3.33Å; L291-I295 PolarHBondContact O-N 3.01Å; I292-I295 WeakPolarHBondContact O-CB 3.36Å; I292-I295 PolarHBondContact O-N 2.63Å; I295-R297 PolarHBondContact O-N 3.41Å; I295-T298 WeakPolarHBondContact O-CB 3.36Å; I295-T298 PolarHBondContact O-N 3.05Å; I295-T298 VanDerWaalsContact O-N 3.11Å; I295-K299 HydrophobicContact CG2-CD 4.26Å; I295-K299 WeakPolarHBondContact O-CG 3.25Å; I295-K299 PolarHBondContact O-N 3.01Å |
| 296 | Q | 94.8 | Very high | 92.5 | Very high | 85 Ų | 85 | 59.8 Ų | 59.8 | 40% | 0.397 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.9 | -49.3 | -179.9 | -173.5 | 59 | 49.5 | 0 | 0 | 111.3 | I292 L294 T298 K299 D300 | I292-Q296 PolarHBondContact O-N 2.93Å; L294-Q296 VanDerWaalsContact C-N 3.35Å; L294-Q296 PolarHBondContact O-N 3.38Å; Q296-T298 PolarHBondContact O-N 3.01Å; Q296-K299 WeakPolarHBondContact O-CB 3.17Å; Q296-K299 PolarHBondContact O-N 3.14Å; Q296-K299 VanDerWaalsContact O-N 3.12Å; Q296-D300 PolarHBondContact NE2-OD1 3.24Å; Q296-D300 PolarHBondContact O-N 2.92Å |
| 297 | R | 95.2 | Very high | 91.7 | Very high | 84 Ų | 84 | 63.4 Ų | 63.4 | 32% | 0.317 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.7 | -33.2 | 176.6 | -163.1 | -158.7 | -37 | 123.3 | 12.9 | 112.6 | E128 D293 L294 I295 A301 | E128-R297 IonicContact OE1-CZ 3.78Å; E128-R297 VanDerWaalsContact OE1-CZ 3.23Å; E128-R297 IonicContact OE1-NH1 3.95Å; E128-R297 PolarHBondContact OE1-NH1 3.44Å; E128-R297 IonicContact OE1-NH2 3.61Å; E128-R297 PolarHBondContact OE1-NH2 3.04Å; E128-R297 IonicContact OE2-NH1 2.86Å; D293-R297 WeakPolarHBondContact O-CB 3.38Å; D293-R297 PolarHBondContact O-N 3.04Å; L294-R297 PolarHBondContact O-N 2.92Å; I295-R297 PolarHBondContact O-N 3.41Å; R297-A301 VanDerWaalsContact O-CB 3.31Å; R297-A301 WeakPolarHBondContact O-CB 3.42Å; R297-A301 PolarHBondContact O-N 3.21Å |
| 298 | T | 94.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.3 | -44 | 177.3 | -54.4 | 0 | 0 | 0 | 0 | 110.8 | L116 V119 H120 L294 I295 Q296 D300 A301 V302 I316 | L116-T298 HydrophobicContact CD2-CG2 3.8Å; L116-T298 WeakPolarHBondContact CD2-OG1 3.28Å; V119-T298 HydrophobicContact CB-CG2 4.07Å; V119-T298 HydrophobicContact CG1-CG2 3.89Å; V119-T298 HydrophobicContact CG2-CG2 4.13Å; H120-T298 PolarHBondContact NE2-OG1 3.33Å; L294-T298 WeakPolarHBondContact O-CB 3.32Å; L294-T298 PolarHBondContact O-N 3.48Å; L294-T298 PolarHBondContact O-OG1 3.33Å; I295-T298 WeakPolarHBondContact O-CB 3.36Å; I295-T298 PolarHBondContact O-N 3.05Å; I295-T298 VanDerWaalsContact O-N 3.11Å; Q296-T298 PolarHBondContact O-N 3.01Å; T298-D300 VanDerWaalsContact C-N 3.33Å; T298-D300 PolarHBondContact O-N 3.02Å; T298-A301 PolarHBondContact O-N 3.15Å; T298-V302 VanDerWaalsContact O-CG2 3.3Å; T298-V302 WeakPolarHBondContact O-CG2 3.01Å; T298-V302 PolarHBondContact O-N 3.37Å; T298-I316 HydrophobicContact CG2-CG2 4.49Å |
| 299 | K | 93.7 | Very high | 89.8 | Confident | 7 Ų | 7 | 63.3 Ų | 63.3 | 3% | 0.03 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 173.1 | -70.2 | 173.2 | 163.1 | -161.6 | 0 | 111.2 | E162 I295 Q296 V302 R303 I316 L317 E320 | E162-K299 IonicContact OE1-NZ 3.76Å; E162-K299 PolarHBondContact OE1-NZ 2.8Å; I295-K299 HydrophobicContact CG2-CD 4.26Å; I295-K299 WeakPolarHBondContact O-CG 3.25Å; I295-K299 PolarHBondContact O-N 3.01Å; Q296-K299 WeakPolarHBondContact O-CB 3.17Å; Q296-K299 PolarHBondContact O-N 3.14Å; Q296-K299 VanDerWaalsContact O-N 3.12Å; K299-V302 PolarHBondContact O-N 2.94Å; K299-R303 WeakPolarHBondContact O-CG 3.44Å; K299-R303 PolarHBondContact O-N 3.11Å; K299-R303 VanDerWaalsContact O-N 3.12Å; K299-I316 HydrophobicContact CG-CG2 3.98Å; K299-L317 HydrophobicContact CB-CD2 3.96Å; K299-L317 HydrophobicContact CG-CD2 4.11Å; K299-E320 WeakPolarHBondContact CD-OE1 3.3Å; K299-E320 WeakPolarHBondContact CE-OE1 3.44Å; K299-E320 IonicContact NZ-OE1 2.62Å; K299-E320 PolarHBondContact NZ-OE1 3.44Å |
| 300 | D | 92.8 | Very high | 89 | Confident | 69 Ų | 69 | 60.3 Ų | 60.3 | 37% | 0.369 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 178.6 | -58.1 | -19.8 | 0 | 0 | 0 | 111.1 | Q296 T298 V302 R303 E304 | Q296-D300 PolarHBondContact NE2-OD1 3.24Å; Q296-D300 PolarHBondContact O-N 2.92Å; T298-D300 VanDerWaalsContact C-N 3.33Å; T298-D300 PolarHBondContact O-N 3.02Å; D300-V302 VanDerWaalsContact C-N 3.31Å; D300-V302 PolarHBondContact O-N 2.71Å; D300-R303 PolarHBondContact O-N 2.74Å; D300-R303 VanDerWaalsContact O-N 3.12Å; D300-R303 IonicContact OD1-CZ 3.1Å; D300-R303 IonicContact OD1-NH1 3.96Å; D300-R303 PolarHBondContact OD1-NH1 3.23Å; D300-E304 WeakPolarHBondContact O-CG 3.49Å; D300-E304 PolarHBondContact O-N 3.26Å |
| 301 | A | 91.1 | Very high | 87.9 | Confident | 28 Ų | 28 | 66.1 Ų | 66.1 | 23% | 0.231 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.9 | -39.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V119 R297 T298 R303 E304 L305 | V119-A301 HydrophobicContact CG1-CB 3.81Å; R297-A301 VanDerWaalsContact O-CB 3.31Å; R297-A301 WeakPolarHBondContact O-CB 3.42Å; R297-A301 PolarHBondContact O-N 3.21Å; T298-A301 PolarHBondContact O-N 3.15Å; A301-R303 VanDerWaalsContact C-N 3.33Å; A301-R303 PolarHBondContact O-N 3.03Å; A301-E304 PolarHBondContact O-N 2.95Å; A301-L305 WeakPolarHBondContact O-CG 3.37Å; A301-L305 PolarHBondContact O-N 3.25Å |
| 302 | V | 90 | Very high | 86.8 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62 | -39.8 | 176 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | V119 T298 K299 D300 E304 L305 Y310 M313 I316 L317 | V119-V302 HydrophobicContact CB-CG2 4.41Å; V119-V302 HydrophobicContact CG1-CG2 3.76Å; V119-V302 HydrophobicContact CG2-CG2 3.66Å; T298-V302 VanDerWaalsContact O-CG2 3.3Å; T298-V302 WeakPolarHBondContact O-CG2 3.01Å; T298-V302 PolarHBondContact O-N 3.37Å; K299-V302 PolarHBondContact O-N 2.94Å; D300-V302 VanDerWaalsContact C-N 3.31Å; D300-V302 PolarHBondContact O-N 2.71Å; V302-E304 PolarHBondContact O-N 3.31Å; V302-L305 HydrophobicContact CB-CD1 4.38Å; V302-L305 HydrophobicContact CG1-CD1 4.41Å; V302-L305 HydrophobicContact CG2-CD1 4.24Å; V302-L305 WeakPolarHBondContact O-CB 3.34Å; V302-L305 PolarHBondContact O-N 2.99Å; V302-Y310 HydrophobicContact CG1-CD2 4.15Å; V302-Y310 HydrophobicContact CG1-CE2 4.27Å; V302-Y310 WeakPolarHBondContact O-CD2 3.21Å; V302-M313 HydrophobicContact CG1-CB 4.15Å; V302-M313 HydrophobicContact CG2-CB 4Å; V302-I316 HydrophobicContact CG2-CB 4.22Å; V302-I316 HydrophobicContact CG2-CG1 4.3Å; V302-I316 HydrophobicContact CG2-CG2 4.32Å; V302-L317 HydrophobicContact CG1-CD1 3.8Å; V302-L317 HydrophobicContact CG1-CG 4.03Å |
| 303 | R | 88.4 | Confident | 86.2 | Confident | 110 Ų | 110 | 67.2 Ų | 67.2 | 42% | 0.415 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.3 | -26.6 | 178.2 | -64.5 | -174.7 | -161.4 | 98.3 | 0.1 | 112.8 | K299 D300 A301 L317 E320 | K299-R303 WeakPolarHBondContact O-CG 3.44Å; K299-R303 PolarHBondContact O-N 3.11Å; K299-R303 VanDerWaalsContact O-N 3.12Å; D300-R303 PolarHBondContact O-N 2.74Å; D300-R303 VanDerWaalsContact O-N 3.12Å; D300-R303 IonicContact OD1-CZ 3.1Å; D300-R303 IonicContact OD1-NH1 3.96Å; D300-R303 PolarHBondContact OD1-NH1 3.23Å; A301-R303 VanDerWaalsContact C-N 3.33Å; A301-R303 PolarHBondContact O-N 3.03Å; R303-L317 HydrophobicContact CG-CD1 3.9Å; R303-L317 HydrophobicContact CG-CD2 4.44Å; R303-E320 IonicContact CZ-OE2 3.34Å; R303-E320 IonicContact NE-OE2 3.82Å; R303-E320 VanDerWaalsContact NH2-CD 3.35Å; R303-E320 IonicContact NH2-OE1 3.69Å; R303-E320 PolarHBondContact NH2-OE1 2.84Å; R303-E320 IonicContact NH2-OE2 3.27Å; R303-E320 PolarHBondContact NH2-OE2 3.06Å |
| 304 | E | 87.4 | Confident | 85.7 | Confident | 174 Ų | 174 | 68 Ų | 68 | 81% | 0.813 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -3.2 | 179.4 | -61.7 | -101.8 | 148 | 0 | 0 | 113.3 | D300 A301 V302 | D300-E304 WeakPolarHBondContact O-CG 3.49Å; D300-E304 PolarHBondContact O-N 3.26Å; A301-E304 PolarHBondContact O-N 2.95Å; V302-E304 PolarHBondContact O-N 3.31Å |
| 305 | L | 84.5 | Confident | 85.1 | Confident | 33 Ų | 33 | 69.6 Ų | 69.6 | 17% | 0.173 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -69.9 | 151.3 | -178.2 | -70.2 | 176.3 | 0 | 0 | 0 | 112.6 | A301 V302 Q309 M313 | A301-L305 WeakPolarHBondContact O-CG 3.37Å; A301-L305 PolarHBondContact O-N 3.25Å; V302-L305 HydrophobicContact CB-CD1 4.38Å; V302-L305 HydrophobicContact CG1-CD1 4.41Å; V302-L305 HydrophobicContact CG2-CD1 4.24Å; V302-L305 WeakPolarHBondContact O-CB 3.34Å; V302-L305 PolarHBondContact O-N 2.99Å; L305-Q309 HydrophobicContact CB-CB 4.13Å; L305-Q309 HydrophobicContact CD1-CB 4.11Å; L305-Q309 HydrophobicContact CD2-CB 4.26Å; L305-Q309 HydrophobicContact CG-CB 4.39Å; L305-M313 HydrophobicContact CD1-CB 3.91Å; L305-M313 HydrophobicContact CD1-CG 4.15Å |
| 306 | D | 80.3 | Confident | 84.7 | Confident | 84 Ų | 84 | 69.6 Ų | 69.6 | 45% | 0.449 | 32% | 0.322 | S | S | . | . | trans | -60.1 | 159.1 | 169.9 | 71.6 | 34.2 | 0 | 0 | 0 | 112.1 | L308 Q309 Y310 | D306-L308 PolarHBondContact O-N 2.98Å; D306-L308 WeakPolarHBondContact OD1-CB 3.26Å; D306-L308 PolarHBondContact OD1-N 3.48Å; D306-Q309 PolarHBondContact O-N 3.47Å; D306-Q309 WeakPolarHBondContact OD1-CB 3.45Å; D306-Q309 VanDerWaalsContact OD1-CG 3.32Å; D306-Q309 WeakPolarHBondContact OD1-CG 3.42Å; D306-Q309 PolarHBondContact OD1-N 2.86Å; D306-Y310 WeakPolarHBondContact O-CB 3.22Å; D306-Y310 PolarHBondContact O-N 2.99Å | ||
| 307 | N | 76.5 | Confident | 84.4 | Confident | 137 Ų | 137 | 66.4 Ų | 66.4 | 73% | 0.733 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -55.6 | -24.8 | -176.7 | -81.2 | -30.8 | 0 | 0 | 0 | 114.4 | R311 | N307-R311 WeakPolarHBondContact O-CD 3.4Å; N307-R311 VanDerWaalsContact O-CG 3.28Å; N307-R311 WeakPolarHBondContact O-CG 3.36Å |
| 308 | L | 69.9 | Low | 83.9 | Confident | 106 Ų | 106 | 63.8 Ų | 63.8 | 56% | 0.555 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -81.1 | -47.2 | -178.9 | -172 | 68.7 | 0 | 0 | 0 | 111.1 | D306 L446 | D306-L308 PolarHBondContact O-N 2.98Å; D306-L308 WeakPolarHBondContact OD1-CB 3.26Å; D306-L308 PolarHBondContact OD1-N 3.48Å; L308-L446 HydrophobicContact CD1-CD1 3.59Å |
| 309 | Q | 72.3 | Confident | 82.9 | Confident | 74 Ų | 74 | 66 Ų | 66 | 35% | 0.346 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -74.4 | -37.6 | 179.7 | -65.2 | -177.3 | -0.3 | 0 | 0 | 111.3 | L305 D306 R311 K312 M313 | L305-Q309 HydrophobicContact CB-CB 4.13Å; L305-Q309 HydrophobicContact CD1-CB 4.11Å; L305-Q309 HydrophobicContact CD2-CB 4.26Å; L305-Q309 HydrophobicContact CG-CB 4.39Å; D306-Q309 PolarHBondContact O-N 3.47Å; D306-Q309 WeakPolarHBondContact OD1-CB 3.45Å; D306-Q309 VanDerWaalsContact OD1-CG 3.32Å; D306-Q309 WeakPolarHBondContact OD1-CG 3.42Å; D306-Q309 PolarHBondContact OD1-N 2.86Å; Q309-R311 VanDerWaalsContact C-N 3.3Å; Q309-R311 PolarHBondContact O-N 3.34Å; Q309-K312 PolarHBondContact O-N 3.29Å; Q309-K312 VanDerWaalsContact O-N 3.08Å; Q309-M313 PolarHBondContact O-N 2.95Å |
| 310 | Y | 77.4 | Confident | 81.7 | Confident | 90 Ų | 90 | 68.6 Ų | 68.6 | 35% | 0.353 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -55.7 | -44.1 | 172.3 | -177.3 | -105.6 | 0 | 0 | 0 | 111.5 | V302 D306 K312 M313 K314 L317 | V302-Y310 HydrophobicContact CG1-CD2 4.15Å; V302-Y310 HydrophobicContact CG1-CE2 4.27Å; V302-Y310 WeakPolarHBondContact O-CD2 3.21Å; D306-Y310 WeakPolarHBondContact O-CB 3.22Å; D306-Y310 PolarHBondContact O-N 2.99Å; Y310-K312 VanDerWaalsContact C-N 3.25Å; Y310-K312 PolarHBondContact O-N 3.42Å; Y310-M313 PolarHBondContact O-N 3.35Å; Y310-K314 HydrophobicContact CE1-CB 4.42Å; Y310-K314 WeakPolarHBondContact O-CA 3.28Å; Y310-K314 VanDerWaalsContact O-CB 3.26Å; Y310-K314 WeakPolarHBondContact O-CB 3.43Å; Y310-K314 PolarHBondContact O-N 2.7Å; Y310-L317 HydrophobicContact CE2-CD1 3.83Å |
| 311 | R | 74.4 | Confident | 79.9 | Confident | 152 Ų | 152 | 73.4 Ų | 73.4 | 57% | 0.574 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.5 | -30.7 | 177.7 | -79.9 | 176.3 | -176.2 | -178.7 | 2.3 | 113.8 | N307 Q309 | N307-R311 WeakPolarHBondContact O-CD 3.4Å; N307-R311 VanDerWaalsContact O-CG 3.28Å; N307-R311 WeakPolarHBondContact O-CG 3.36Å; Q309-R311 VanDerWaalsContact C-N 3.3Å; Q309-R311 PolarHBondContact O-N 3.34Å |
| 312 | K | 74.5 | Confident | 77.8 | Confident | 104 Ų | 104 | 79.3 Ų | 79.3 | 45% | 0.452 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -78.5 | -40.2 | 175.7 | -171.9 | 176.8 | 177.4 | -176 | 0 | 111.4 | E118 Q309 Y310 | E118-K312 WeakPolarHBondContact OE1-CD 3.46Å; E118-K312 VanDerWaalsContact OE1-CE 3.31Å; E118-K312 WeakPolarHBondContact OE1-CE 3.43Å; E118-K312 IonicContact OE1-NZ 3.78Å; E118-K312 PolarHBondContact OE1-NZ 2.9Å; E118-K312 VanDerWaalsContact OE2-CE 3.3Å; E118-K312 WeakPolarHBondContact OE2-CE 3.11Å; E118-K312 IonicContact OE2-NZ 2.84Å; E118-K312 PolarHBondContact OE2-NZ 2.93Å; Q309-K312 PolarHBondContact O-N 3.29Å; Q309-K312 VanDerWaalsContact O-N 3.08Å; Y310-K312 VanDerWaalsContact C-N 3.25Å; Y310-K312 PolarHBondContact O-N 3.42Å |
| 313 | M | 84.3 | Confident | 75.2 | Confident | 4 Ų | 4 | 86 Ų | 86 | 2% | 0.02 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -98.6 | -4.2 | -171.5 | -64.9 | -56.8 | 178.5 | 0 | 0 | 115.5 | E118 V119 V302 L305 Q309 Y310 K315 I316 | E118-M313 HydrophobicContact CB-CE 3.43Å; E118-M313 VanDerWaalsContact CB-CE 3.43Å; E118-M313 HydrophobicContact CG-CE 3.28Å; E118-M313 WeakPolarHBondContact OE2-CE 3.4Å; V119-M313 HydrophobicContact CG2-CB 4.17Å; V119-M313 HydrophobicContact CG2-CE 4.44Å; V119-M313 HydrophobicContact CG2-CG 3.81Å; V119-M313 HydrophobicContact CG2-SD 3.89Å; V302-M313 HydrophobicContact CG1-CB 4.15Å; V302-M313 HydrophobicContact CG2-CB 4Å; L305-M313 HydrophobicContact CD1-CB 3.91Å; L305-M313 HydrophobicContact CD1-CG 4.15Å; Q309-M313 PolarHBondContact O-N 2.95Å; Y310-M313 PolarHBondContact O-N 3.35Å; M313-K315 PolarHBondContact O-N 3.35Å; M313-I316 WeakPolarHBondContact O-CB 3.45Å; M313-I316 WeakPolarHBondContact O-CG1 3.15Å; M313-I316 PolarHBondContact O-N 2.86Å |
| 314 | K | 85.5 | Confident | 72.5 | Confident | 83 Ų | 83 | 83.4 Ų | 83.4 | 36% | 0.361 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -54.8 | -19.1 | 176.9 | 63.8 | 173.3 | -178.7 | 166 | 0 | 114.2 | Y310 I316 L317 Y318 | Y310-K314 HydrophobicContact CE1-CB 4.42Å; Y310-K314 WeakPolarHBondContact O-CA 3.28Å; Y310-K314 VanDerWaalsContact O-CB 3.26Å; Y310-K314 WeakPolarHBondContact O-CB 3.43Å; Y310-K314 PolarHBondContact O-N 2.7Å; K314-I316 PolarHBondContact O-N 3.49Å; K314-L317 PolarHBondContact O-N 3.2Å; K314-Y318 HydrophobicContact CB-CE1 4.37Å; K314-Y318 HydrophobicContact CD-CE1 4.15Å; K314-Y318 VanDerWaalsContact CE-OH 3.31Å; K314-Y318 WeakPolarHBondContact CE-OH 3.41Å; K314-Y318 HydrophobicContact CG-CE1 3.95Å; K314-Y318 VanDerWaalsContact O-CD1 3.23Å; K314-Y318 WeakPolarHBondContact O-CD1 3.38Å; K314-Y318 WeakPolarHBondContact O-CE1 3.37Å |
| 315 | K | 84.4 | Confident | 69.9 | Low | 33 Ų | 33 | 81 Ų | 81 | 14% | 0.143 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -55.6 | -29.4 | 172.9 | 63.1 | 173.6 | 177.3 | 170.2 | 0 | 113 | I35 Y108 D115 M313 L317 Y318 | I35-K315 HydrophobicContact CB-CB 4.36Å; I35-K315 HydrophobicContact CB-CD 4.37Å; I35-K315 HydrophobicContact CG2-CB 3.98Å; I35-K315 VanDerWaalsContact O-CD 3.25Å; I35-K315 WeakPolarHBondContact O-CD 3.33Å; I35-K315 PolarHBondContact O-NZ 3.49Å; Y108-K315 PolarHBondContact OH-O 3.43Å; D115-K315 VanDerWaalsContact OD1-CE 3.28Å; D115-K315 WeakPolarHBondContact OD1-CE 3.27Å; D115-K315 IonicContact OD1-NZ 3.82Å; D115-K315 PolarHBondContact OD1-NZ 3.34Å; D115-K315 IonicContact OD2-NZ 3.66Å; D115-K315 PolarHBondContact OD2-NZ 3.46Å; M313-K315 PolarHBondContact O-N 3.35Å; K315-L317 PolarHBondContact O-N 3.03Å; K315-Y318 HydrophobicContact CB-CD2 4.49Å; K315-Y318 HydrophobicContact CB-CE2 4.26Å |
| 316 | I | 87.5 | Confident | 67.6 | Low | 4 Ų | 4 | 88.6 Ų | 88.6 | 2% | 0.021 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -67 | -17.9 | 176.3 | -58.4 | -59.2 | 0 | 0 | 0 | 112.1 | L110 T298 K299 V302 M313 K314 | L110-I316 HydrophobicContact CD1-CG2 4.13Å; L110-I316 WeakPolarHBondContact CD1-O 3.35Å; L110-I316 HydrophobicContact CD2-CG2 4.07Å; L110-I316 HydrophobicContact CG-CD1 4.28Å; L110-I316 HydrophobicContact CG-CG2 4.03Å; L110-I316 WeakPolarHBondContact O-CD1 3.24Å; T298-I316 HydrophobicContact CG2-CG2 4.49Å; K299-I316 HydrophobicContact CG-CG2 3.98Å; V302-I316 HydrophobicContact CG2-CB 4.22Å; V302-I316 HydrophobicContact CG2-CG1 4.3Å; V302-I316 HydrophobicContact CG2-CG2 4.32Å; M313-I316 WeakPolarHBondContact O-CB 3.45Å; M313-I316 WeakPolarHBondContact O-CG1 3.15Å; M313-I316 PolarHBondContact O-N 2.86Å; K314-I316 PolarHBondContact O-N 3.49Å |
| 317 | L | 87.9 | Confident | 65.1 | Low | 17 Ų | 17 | 87.6 Ų | 87.6 | 9% | 0.089 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -109 | 6.7 | -175.2 | -58.2 | 178.7 | 0 | 0 | 0 | 113.8 | K299 V302 R303 Y310 K314 K315 Q319 E320 | K299-L317 HydrophobicContact CB-CD2 3.96Å; K299-L317 HydrophobicContact CG-CD2 4.11Å; V302-L317 HydrophobicContact CG1-CD1 3.8Å; V302-L317 HydrophobicContact CG1-CG 4.03Å; R303-L317 HydrophobicContact CG-CD1 3.9Å; R303-L317 HydrophobicContact CG-CD2 4.44Å; Y310-L317 HydrophobicContact CE2-CD1 3.83Å; K314-L317 PolarHBondContact O-N 3.2Å; K315-L317 PolarHBondContact O-N 3.03Å; L317-Q319 PolarHBondContact O-N 3.44Å; L317-E320 PolarHBondContact O-N 3.08Å |
| 318 | Y | 83.9 | Confident | 63.3 | Low | 30 Ų | 30 | 90.5 Ų | 90.5 | 12% | 0.118 | 46% | 0.461 | C | S | . | . | G | 310 helix | trans | -67.7 | -29.9 | -171.5 | -77.5 | -4.5 | 0 | 0 | 0 | 115 | H33 I35 F45 K314 K315 E320 | H33-Y318 HydrophobicContact CB-CD2 4.21Å; H33-Y318 HydrophobicContact CB-CE2 3.52Å; I35-Y318 HydrophobicContact CG2-CD2 3.92Å; I35-Y318 HydrophobicContact CG2-CE2 3.74Å; F45-Y318 HydrophobicContact CB-CD2 3.99Å; F45-Y318 HydrophobicContact CD2-CD2 4.21Å; F45-Y318 HydrophobicContact CG-CD2 4.02Å; K314-Y318 HydrophobicContact CB-CE1 4.37Å; K314-Y318 HydrophobicContact CD-CE1 4.15Å; K314-Y318 VanDerWaalsContact CE-OH 3.31Å; K314-Y318 WeakPolarHBondContact CE-OH 3.41Å; K314-Y318 HydrophobicContact CG-CE1 3.95Å; K314-Y318 VanDerWaalsContact O-CD1 3.23Å; K314-Y318 WeakPolarHBondContact O-CD1 3.38Å; K314-Y318 WeakPolarHBondContact O-CE1 3.37Å; K315-Y318 HydrophobicContact CB-CD2 4.49Å; K315-Y318 HydrophobicContact CB-CE2 4.26Å; Y318-E320 VanDerWaalsContact C-N 3.34Å; Y318-E320 PolarHBondContact O-N 3.18Å |
| 319 | Q | 75.3 | Confident | 61.2 | Low | 46 Ų | 46 | 90.4 Ų | 90.4 | 22% | 0.215 | 47% | 0.469 | C | S | . | . | G | 310 helix | trans | -71.9 | -24.4 | 178 | -81.4 | 174.9 | -43.6 | 0 | 0 | 113.6 | F45 Y108 E162 L317 K321 | F45-Q319 HydrophobicContact CE2-CG 4.47Å; Y108-Q319 HydrophobicContact CD1-CG 4.09Å; Y108-Q319 HydrophobicContact CE1-CG 3.75Å; E162-Q319 PolarHBondContact OE2-OE1 2.77Å; E162-Q319 VanDerWaalsContact OE2-OE1 3.09Å; L317-Q319 PolarHBondContact O-N 3.44Å; Q319-K321 PolarHBondContact O-N 3.3Å |
| 320 | E | 67.2 | Low | 59.2 | Low | 63 Ų | 63 | 96.2 Ų | 96.2 | 29% | 0.294 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -78.8 | -18.1 | -170.9 | -67.6 | -176 | 171.6 | 0 | 0 | 114.2 | K299 R303 L317 Y318 H322 N323 | K299-E320 WeakPolarHBondContact CD-OE1 3.3Å; K299-E320 WeakPolarHBondContact CE-OE1 3.44Å; K299-E320 IonicContact NZ-OE1 2.62Å; K299-E320 PolarHBondContact NZ-OE1 3.44Å; R303-E320 IonicContact CZ-OE2 3.34Å; R303-E320 IonicContact NE-OE2 3.82Å; R303-E320 VanDerWaalsContact NH2-CD 3.35Å; R303-E320 IonicContact NH2-OE1 3.69Å; R303-E320 PolarHBondContact NH2-OE1 2.84Å; R303-E320 IonicContact NH2-OE2 3.27Å; R303-E320 PolarHBondContact NH2-OE2 3.06Å; L317-E320 PolarHBondContact O-N 3.08Å; Y318-E320 VanDerWaalsContact C-N 3.34Å; Y318-E320 PolarHBondContact O-N 3.18Å; E320-H322 PolarHBondContact O-N 3.04Å; E320-N323 PolarHBondContact O-N 3.45Å |
| 321 | K | 56.3 | Low | 56.9 | Low | 170 Ų | 170 | 100.8 Ų | 100.8 | 74% | 0.739 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -60.9 | -8.2 | -175.4 | -79.7 | -169.8 | 172.8 | -169.6 | 0 | 115.5 | Q319 | Q319-K321 PolarHBondContact O-N 3.3Š|
| 322 | H | 46.2 | Very low | 54.8 | Low | 152 Ų | 152 | 101.7 Ų | 101.7 | 70% | 0.704 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -133.6 | 5.4 | -178.3 | -88.4 | -67.2 | 0 | 0 | 0 | 116.4 | E320 | E320-H322 PolarHBondContact O-N 3.04Š|
| 323 | N | 35.4 | Very low | 52.7 | Low | 140 Ų | 140 | 106.2 Ų | 106.2 | 75% | 0.749 | 55% | 0.554 | S | S | * | * | trans | -94.9 | 8.1 | 177.9 | -81.6 | -2.1 | 0 | 0 | 0 | 114.3 | E320 | E320-N323 PolarHBondContact O-N 3.45Š| ||
| 324 | G | 31.7 | Very low | 50.1 | Low | 55 Ų | 55 | 114.3 Ų | 114.3 | 57% | 0.567 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -76.8 | 145.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L326 | G324-L326 PolarHBondContact O-N 3.36Š|
| 325 | P | 32.1 | Very low | 47.4 | Very low | 124 Ų | 124 | 118 Ų | 118 | 81% | 0.805 | 62% | 0.616 | S | S | * | * | trans | -58.8 | 141.1 | 168.3 | -6.5 | 20.6 | 0 | 0 | 0 | 108.4 | G327 | P325-G327 VanDerWaalsContact C-N 3.33Å; P325-G327 PolarHBondContact O-N 2.91Å | ||
| 326 | L | 36 | Very low | 44.7 | Very low | 193 Ų | 193 | 122.3 Ų | 122.3 | 100% | 1.01 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -53.3 | 101.9 | 164.4 | -85 | 111.8 | 0 | 0 | 0 | 108.3 | G324 | G324-L326 PolarHBondContact O-N 3.36Š|
| 327 | G | 29.5 | Very low | 41.7 | Very low | 62 Ų | 62 | 131 Ų | 131 | 64% | 0.639 | 69% | 0.69 | S | S | * | * | trans | -153.8 | 118.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | P325 S329 | P325-G327 VanDerWaalsContact C-N 3.33Å; P325-G327 PolarHBondContact O-N 2.91Å; G327-S329 PolarHBondContact O-N 2.98Å | ||
| 328 | E | 37 | Very low | 38.8 | Very low | 199 Ų | 199 | 134.9 Ų | 134.9 | 93% | 0.93 | 73% | 0.725 | S | S | * | * | trans | -52 | 128.1 | -174.3 | -61.6 | 168.8 | 146.3 | 0 | 0 | 113 | ||||
| 329 | S | 27 | Very low | 36.3 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | -168.8 | 84.6 | 145.4 | 48.3 | 0 | 0 | 0 | 0 | 108.1 | G327 E331 | G327-S329 PolarHBondContact O-N 2.98Å; S329-E331 PolarHBondContact O-N 3.05Å | ||
| 330 | Q | 29.6 | Very low | 33.9 | Very low | 197 Ų | 197 | 142.4 Ų | 142.4 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -65.2 | 108.9 | 151.8 | -83.6 | 176 | -36.6 | 0 | 0 | 106.2 | ||||
| 331 | E | 29.9 | Very low | 31.9 | Very low | 185 Ų | 185 | 145.4 Ų | 145.4 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -93.4 | 123.4 | 158.5 | -75.3 | -173.9 | 174.8 | 0 | 0 | 107.8 | S329 | S329-E331 PolarHBondContact O-N 3.05Š| ||
| 332 | E | 29.4 | Very low | 30.5 | Very low | 171 Ų | 171 | 146.9 Ų | 146.9 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | trans | -69.8 | 126.1 | -171.6 | -60.2 | 169.6 | 150.1 | 0 | 0 | 110.3 | E334 | E332-E334 PolarHBondContact O-N 2.73Š| ||
| 333 | E | 30.7 | Very low | 29.6 | Very low | 200 Ų | 200 | 148.7 Ų | 148.7 | 94% | 0.935 | 83% | 0.828 | S | S | * | * | trans | -82.3 | 92.9 | 157.9 | -84.2 | -172.6 | 162.4 | 0 | 0 | 107.8 | D335 | E333-D335 PolarHBondContact O-N 3.45Š| ||
| 334 | E | 30 | Very low | 29.1 | Very low | 174 Ų | 174 | 150 Ų | 150 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | trans | -69.8 | 115.1 | 159.3 | -83.1 | -170.9 | 143.5 | 0 | 0 | 109.4 | E332 | E332-E334 PolarHBondContact O-N 2.73Š| ||
| 335 | D | 27.5 | Very low | 28.8 | Very low | 161 Ų | 161 | 152.7 Ų | 152.7 | 86% | 0.861 | 85% | 0.846 | S | S | * | * | trans | -153.4 | 91.2 | 143.9 | -126.2 | -10.7 | 0 | 0 | 0 | 109.4 | E333 | E333-D335 PolarHBondContact O-N 3.45Š| ||
| 336 | S | 27.9 | Very low | 28.6 | Very low | 122 Ų | 122 | 155.3 Ų | 155.3 | 85% | 0.853 | 85% | 0.852 | S | S | * | * | trans | -121.7 | 86.9 | 171.1 | -73.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 337 | E | 26 | Very low | 28.1 | Very low | 186 Ų | 186 | 149.1 Ų | 149.1 | 87% | 0.869 | 83% | 0.834 | S | S | * | * | trans | -128.1 | 104.6 | 156 | -79.6 | -159.3 | 156.2 | 0 | 0 | 110.2 | ||||
| 338 | A | 27.2 | Very low | 27.9 | Very low | 100 Ų | 100 | 151 Ų | 151 | 83% | 0.826 | 84% | 0.838 | S | S | * | * | trans | -83.7 | 135.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 339 | P | 30 | Very low | 27.4 | Very low | 126 Ų | 126 | 148 Ų | 148 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -97.1 | 110.6 | 152.6 | 29.7 | -19.1 | 0 | 0 | 0 | 109.1 | C341 | P339-C341 PolarHBondContact O-N 3.5Š| ||
| 340 | S | 24.9 | Very low | 27.4 | Very low | 107 Ų | 107 | 151.1 Ų | 151.1 | 75% | 0.748 | 83% | 0.831 | S | S | * | * | trans | -59 | 127.3 | 159 | 143.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 341 | C | 25.5 | Very low | 27.2 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | trans | -154.8 | 118.8 | 145.4 | -94.9 | 0 | 0 | 0 | 0 | 111.2 | P339 | P339-C341 PolarHBondContact O-N 3.5Š| ||
| 342 | K | 27 | Very low | 27 | Very low | 201 Ų | 201 | 145.4 Ų | 145.4 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | -57.5 | 140.8 | 170 | -65.3 | 168.6 | 176.7 | 173.8 | 0 | 110.5 | ||||
| 343 | M | 26.3 | Very low | 27.2 | Very low | 191 Ų | 191 | 142.5 Ų | 142.5 | 94% | 0.941 | 82% | 0.815 | S | S | * | * | trans | -126.8 | 119.6 | 158 | -97.3 | -167.6 | 169.1 | 0 | 0 | 110.7 | ||||
| 344 | N | 25.8 | Very low | 26.9 | Very low | 166 Ų | 166 | 137.7 Ų | 137.7 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -68.4 | 139.7 | 160.9 | -76.6 | -20.8 | 0 | 0 | 0 | 109.4 | ||||
| 345 | S | 25 | Very low | 26.7 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -91.2 | 129.5 | 175.2 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 346 | L | 28.1 | Very low | 26.6 | Very low | 178 Ų | 178 | 132.2 Ų | 132.2 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | trans | -157.4 | 107.5 | 150 | -79 | 178.9 | 0 | 0 | 0 | 105.8 | ||||
| 347 | G | 25.8 | Very low | 26.4 | Very low | 63 Ų | 63 | 133.7 Ų | 133.7 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | 103.6 | 87.8 | 90.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 348 | S | 26.2 | Very low | 26.4 | Very low | 102 Ų | 102 | 130 Ų | 130 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | 79.2 | 129.8 | 104 | 83.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 349 | N | 24.7 | Very low | 26.2 | Very low | 135 Ų | 135 | 132 Ų | 132 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | -167.2 | 160.7 | 65.4 | -70.6 | -43.8 | 0 | 0 | 0 | 112.6 | |||||
| 350 | H | 27.7 | Very low | 26 | Very low | 170 Ų | 170 | 129.3 Ų | 129.3 | 79% | 0.787 | 78% | 0.781 | S | S | * | * | trans | 98.2 | 96.3 | 150.6 | -76.6 | -61.3 | 0 | 0 | 0 | 122.1 | ||||
| 351 | S | 26.2 | Very low | 26.2 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | 85.2 | 108.8 | 119.6 | -55.8 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 352 | I | 24.8 | Very low | 26.4 | Very low | 157 Ų | 157 | 132.8 Ų | 132.8 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | trans | -63.9 | 165.2 | 150.2 | -28.5 | 168.2 | 0 | 0 | 0 | 108.1 | ||||
| 353 | P | 33.5 | Very low | 26.4 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | cis | -155.1 | 165.9 | 28.5 | 39.9 | -14.2 | 0 | 0 | 0 | 121.5 | ||||
| 354 | S | 25.4 | Very low | 26.5 | Very low | 98 Ų | 98 | 124.9 Ų | 124.9 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | trans | 66.9 | 131 | 133.3 | -57.8 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 355 | T | 25 | Very low | 26.6 | Very low | 122 Ų | 122 | 121.9 Ų | 121.9 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | 61.1 | 119.4 | 129.7 | 59.4 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 356 | S | 25.6 | Very low | 26.7 | Very low | 98 Ų | 98 | 122.5 Ų | 122.5 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | 59.2 | 142.8 | 127.3 | 70.5 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 357 | I | 24.2 | Very low | 26.6 | Very low | 154 Ų | 154 | 121.9 Ų | 121.9 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | 116.5 | 128.3 | 147.9 | -52.5 | 156.7 | 0 | 0 | 0 | 114.3 | ||||
| 358 | S | 24.7 | Very low | 26.7 | Very low | 107 Ų | 107 | 123.5 Ų | 123.5 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -15.1 | 144.4 | 159.6 | -54 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 359 | T | 23.9 | Very low | 26.7 | Very low | 142 Ų | 142 | 126.7 Ų | 126.7 | 87% | 0.871 | 77% | 0.772 | S | S | * | * | -162.6 | 140.7 | 129 | 35.9 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 360 | G | 25.2 | Very low | 26.8 | Very low | 70 Ų | 70 | 127.8 Ų | 127.8 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | -79.5 | 178.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 361 | S | 30.1 | Very low | 26.9 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -142.5 | 102.2 | 166.8 | -63.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 362 | Q | 28.5 | Very low | 26.9 | Very low | 187 Ų | 187 | 127.9 Ų | 127.9 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | 59.7 | 93.2 | 88.7 | -69.3 | -69.3 | -14 | 0 | 0 | 113.1 | |||||
| 363 | S | 27.4 | Very low | 27.1 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 146.5 | 161.4 | 48.7 | 0 | 0 | 0 | 0 | 110.9 | ||
| 364 | S | 28.2 | Very low | 26.8 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 142.8 | 179.4 | 47.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 365 | S | 27.8 | Very low | 26.8 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 149.2 | 171.5 | 44.2 | 0 | 0 | 0 | 0 | 116.5 | ||
| 366 | V | 27.9 | Very low | 26.9 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | -176.5 | 147.3 | 106.9 | -88.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 367 | N | 26.7 | Very low | 26.9 | Very low | 164 Ų | 164 | 132 Ų | 132 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | 100.6 | 125.1 | 155.1 | -66.3 | -14.3 | 0 | 0 | 0 | 121 | ||||
| 368 | S | 26.3 | Very low | 27.1 | Very low | 98 Ų | 98 | 129.7 Ų | 129.7 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | trans | -96 | 154.9 | -174 | -179 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 369 | I | 27.6 | Very low | 27.1 | Very low | 168 Ų | 168 | 131.1 Ų | 131.1 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | trans | -172.7 | 132.4 | 130.7 | -90.2 | 154.3 | 0 | 0 | 0 | 109.5 | ||||
| 370 | Q | 26.1 | Very low | 27.3 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -63.4 | 153.2 | 171.3 | -148.9 | 104.2 | -10.6 | 0 | 0 | 110.4 | ||||
| 371 | E | 28.9 | Very low | 27.5 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | 173.9 | 146.1 | 64.6 | -107 | -155.8 | 168.1 | 0 | 0 | 111.8 | |||||
| 372 | V | 26.6 | Very low | 27.5 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | 31.3 | 131.9 | 148.9 | -87.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 373 | L | 28.8 | Very low | 27.5 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | -162.8 | 142.7 | 99.6 | -96 | 167.4 | 0 | 0 | 0 | 112.5 | |||||
| 374 | D | 27.6 | Very low | 27.6 | Very low | 143 Ų | 143 | 138 Ų | 138 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | trans | -82.6 | 152.8 | 179.8 | -158.5 | 10.3 | 0 | 0 | 0 | 110.7 | ||||
| 375 | D | 26.1 | Very low | 27.8 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | 176.2 | 138.8 | 119.9 | -145.1 | -3.6 | 0 | 0 | 0 | 111.3 | |||||
| 376 | G | 26.7 | Very low | 27.8 | Very low | 63 Ų | 63 | 141 Ų | 141 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | trans | -106.6 | -175.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 377 | C | 25 | Very low | 27.8 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 89% | 0.892 | 78% | 0.777 | S | S | * | * | trans | -167.8 | 129 | 138.6 | -162.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 378 | S | 28.3 | Very low | 27.8 | Very low | 104 Ų | 104 | 145.4 Ų | 145.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -75.2 | 137.9 | 179.1 | 45.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 379 | D | 25.9 | Very low | 27.8 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | 62.3 | 121.2 | 98.1 | -158.2 | 15.7 | 0 | 0 | 0 | 117.5 | |||||
| 380 | M | 28.3 | Very low | 27.6 | Very low | 178 Ų | 178 | 141.7 Ų | 141.7 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -155.3 | 120.3 | 146.7 | -105.1 | -143.5 | 80.4 | 0 | 0 | 110.7 | ||||
| 381 | T | 28.3 | Very low | 27.6 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | trans | -101 | 148.3 | 169.7 | -54.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 382 | M | 30.3 | Very low | 27.6 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | trans | 154.6 | 124.3 | 137 | -84.2 | -64 | -154.1 | 0 | 0 | 113 | ||||
| 383 | M | 28.9 | Very low | 27.4 | Very low | 177 Ų | 177 | 142.6 Ų | 142.6 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | 144.7 | 124.3 | 120.3 | -84.9 | -111.6 | 151 | 0 | 0 | 115.4 | |||||
| 384 | H | 29.7 | Very low | 27.2 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | -84.4 | 163.8 | 162.7 | -139.5 | -55.3 | 0 | 0 | 0 | 109.5 | ||||
| 385 | P | 32.4 | Very low | 27.1 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | -141.5 | 161.7 | 123.5 | 23.4 | -3 | 0 | 0 | 0 | 114.5 | |||||
| 386 | Q | 26.9 | Very low | 27.1 | Very low | 161 Ų | 161 | 134 Ų | 134 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | -109.6 | 146.2 | 175.1 | -86.1 | 173.6 | -36.6 | 0 | 0 | 111.4 | ||||
| 387 | D | 27.6 | Very low | 27.1 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | 50.8 | 125.4 | 143.7 | -55.6 | -24.4 | 0 | 0 | 0 | 123.4 | ||||
| 388 | Y | 27.9 | Very low | 27.2 | Very low | 246 Ų | 246 | 140.1 Ų | 140.1 | 97% | 0.965 | 77% | 0.771 | S | S | * | * | trans | -150.5 | 157.5 | 138.4 | -114.2 | -84.7 | 0 | 0 | 0 | 112.6 | ||||
| 389 | S | 25.2 | Very low | 27 | Very low | 96 Ų | 96 | 143.6 Ų | 143.6 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | trans | -83.5 | 151.6 | -153.1 | -174.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 390 | S | 25 | Very low | 27.1 | Very low | 92 Ų | 92 | 146.9 Ų | 146.9 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | trans | 55.5 | 127.6 | 138.4 | 61.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 391 | T | 25.9 | Very low | 27 | Very low | 132 Ų | 132 | 144 Ų | 144 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | -174.5 | 141.9 | 110.7 | 21.2 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 392 | L | 27.3 | Very low | 27.1 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -7.2 | 150.5 | 159.2 | -71.8 | 122 | 0 | 0 | 0 | 119 | ||||
| 393 | E | 23.4 | Very low | 26.9 | Very low | 172 Ų | 172 | 147.9 Ų | 147.9 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | cis | -173.7 | 148.1 | 47.3 | -140.6 | 167.2 | -152.6 | 0 | 0 | 112.5 | ||||
| 394 | S | 24.7 | Very low | 26.7 | Very low | 102 Ų | 102 | 150.6 Ų | 150.6 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | 52.4 | 122.4 | 142.3 | -175.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 395 | S | 25.3 | Very low | 26.5 | Very low | 111 Ų | 111 | 148.7 Ų | 148.7 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | 166.7 | 104.1 | 115.3 | -67.2 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 396 | A | 26.1 | Very low | 26.1 | Very low | 84 Ų | 84 | 152.9 Ų | 152.9 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | 88.1 | 111.7 | 81.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 397 | H | 26.5 | Very low | 26.1 | Very low | 180 Ų | 180 | 150.9 Ų | 150.9 | 83% | 0.833 | 77% | 0.77 | S | S | * | * | trans | 53.2 | 131.3 | 143.7 | -57.7 | -32.1 | 0 | 0 | 0 | 120.8 | ||||
| 398 | T | 26.7 | Very low | 26 | Very low | 142 Ų | 142 | 150.4 Ų | 150.4 | 87% | 0.871 | 77% | 0.767 | S | S | * | * | -162.6 | 138.6 | 68.7 | 32.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 399 | K | 25.8 | Very low | 26 | Very low | 177 Ų | 177 | 141.7 Ų | 141.7 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | -80.5 | 155.4 | 164.2 | -69.3 | 178.8 | 171.5 | -172.5 | 0 | 110.3 | ||||
| 400 | K | 27.2 | Very low | 26.1 | Very low | 206 Ų | 206 | 143.3 Ų | 143.3 | 90% | 0.896 | 75% | 0.752 | S | S | * | * | trans | -137 | 111.4 | 137.6 | -95.1 | -170.9 | 178.2 | 179.7 | 0 | 109.7 | ||||
| 401 | D | 26.3 | Very low | 26.3 | Very low | 117 Ų | 117 | 145.7 Ų | 145.7 | 63% | 0.626 | 75% | 0.753 | S | S | * | * | trans | -72.2 | 145.3 | 162.9 | -66.5 | -52.6 | 0 | 0 | 0 | 109.8 | ||||
| 402 | H | 29.8 | Very low | 26.4 | Very low | 191 Ų | 191 | 148.5 Ų | 148.5 | 88% | 0.884 | 75% | 0.749 | S | S | * | * | trans | -140.3 | 112 | 142 | -88.1 | -41.7 | 0 | 0 | 0 | 109.7 | ||||
| 403 | Q | 25.3 | Very low | 26.4 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | trans | -95.6 | 138.1 | 172.7 | -178.9 | 164.3 | 30.6 | 0 | 0 | 108.7 | ||||
| 404 | Y | 26.4 | Very low | 26.6 | Very low | 234 Ų | 234 | 146.1 Ų | 146.1 | 92% | 0.918 | 74% | 0.736 | S | S | * | * | trans | -130.1 | 134.8 | 148.4 | -92.3 | -79.9 | 0 | 0 | 0 | 108.4 | ||||
| 405 | N | 25.1 | Very low | 26.6 | Very low | 114 Ų | 114 | 150 Ų | 150 | 61% | 0.61 | 74% | 0.736 | S | S | * | * | trans | -110 | 176.2 | -170.4 | -156.5 | 32.2 | 0 | 0 | 0 | 110.1 | ||||
| 406 | W | 24.3 | Very low | 27 | Very low | 210 Ų | 210 | 150.6 Ų | 150.6 | 80% | 0.795 | 74% | 0.737 | S | S | * | * | trans | 123.4 | 101.6 | 161.3 | -67.4 | 107.4 | 0 | 0 | 0 | 111.4 | ||||
| 407 | D | 25.8 | Very low | 26.8 | Very low | 119 Ų | 119 | 153 Ų | 153 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | 78.3 | 144.2 | 85.7 | -115.4 | 16.7 | 0 | 0 | 0 | 111.6 | |||||
| 408 | D | 26.7 | Very low | 27.4 | Very low | 127 Ų | 127 | 149 Ų | 149 | 68% | 0.679 | 72% | 0.723 | S | S | * | * | cis | -168.5 | 168 | 12.2 | -163.7 | -1.4 | 0 | 0 | 0 | 108.1 | ||||
| 409 | G | 27 | Very low | 27.3 | Very low | 64 Ų | 64 | 153.7 Ų | 153.7 | 66% | 0.66 | 73% | 0.725 | S | S | * | * | trans | 120 | 91.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 410 | I | 28.1 | Very low | 27.3 | Very low | 129 Ų | 129 | 154.6 Ų | 154.6 | 66% | 0.662 | 73% | 0.732 | S | S | * | * | 55.3 | 116.2 | 53 | -57.8 | -173.6 | 0 | 0 | 0 | 110.1 | |||||
| 411 | H | 28.6 | Very low | 27.2 | Very low | 142 Ų | 142 | 149.9 Ų | 149.9 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | cis | -171.1 | 153.6 | 36.7 | -121.6 | -27.5 | 0 | 0 | 0 | 112.5 | ||||
| 412 | R | 28.3 | Very low | 27.1 | Very low | 192 Ų | 192 | 149.9 Ų | 149.9 | 73% | 0.725 | 74% | 0.74 | S | S | * | * | trans | 72.8 | 144.5 | 135.3 | -72.4 | -172.3 | -173.7 | -175 | -1 | 120.5 | ||||
| 413 | D | 26.3 | Very low | 27 | Very low | 107 Ų | 107 | 147 Ų | 147 | 57% | 0.572 | 74% | 0.741 | S | S | * | * | cis | -171 | 158.9 | -5.2 | -119.4 | -28.5 | 0 | 0 | 0 | 110.9 | ||||
| 414 | H | 28.6 | Very low | 27 | Very low | 165 Ų | 165 | 146.7 Ų | 146.7 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | trans | 85.6 | 104.9 | 142.4 | -70.6 | 24.5 | 0 | 0 | 0 | 122.4 | ||||
| 415 | R | 25.1 | Very low | 26.9 | Very low | 184 Ų | 184 | 146.2 Ų | 146.2 | 69% | 0.694 | 74% | 0.742 | S | S | * | * | trans | -57 | 163.8 | 144.3 | -134.7 | -167.1 | 175.4 | 172.5 | -1.7 | 110.5 | E417 | R415-E417 IonicContact CZ-OE1 3.27Å; R415-E417 IonicContact CZ-OE2 3.44Å; R415-E417 IonicContact NE-OE1 3.45Å; R415-E417 IonicContact NH2-OE1 2.81Å; R415-E417 PolarHBondContact NH2-OE1 3.11Å; R415-E417 IonicContact NH2-OE2 3.95Å; R415-E417 PolarHBondContact NH2-OE2 3.33Å | ||
| 416 | P | 32.7 | Very low | 26.8 | Very low | 124 Ų | 124 | 146 Ų | 146 | 81% | 0.805 | 75% | 0.748 | S | S | * | * | -145.7 | 156.7 | 65.3 | 32.3 | -9.4 | 0 | 0 | 0 | 117.5 | |||||
| 417 | E | 21.9 | Very low | 26.8 | Very low | 135 Ų | 135 | 141.2 Ų | 141.2 | 63% | 0.631 | 75% | 0.748 | S | S | * | * | trans | -61.3 | -169.8 | 160 | -100.7 | 177.9 | -159.6 | 0 | 0 | 113.7 | R415 | R415-E417 IonicContact CZ-OE1 3.27Å; R415-E417 IonicContact CZ-OE2 3.44Å; R415-E417 IonicContact NE-OE1 3.45Å; R415-E417 IonicContact NH2-OE1 2.81Å; R415-E417 PolarHBondContact NH2-OE1 3.11Å; R415-E417 IonicContact NH2-OE2 3.95Å; R415-E417 PolarHBondContact NH2-OE2 3.33Å | ||
| 418 | P | 40.2 | Very low | 26.9 | Very low | 94 Ų | 94 | 144.7 Ų | 144.7 | 61% | 0.61 | 76% | 0.76 | S | S | * | * | cis | -137.8 | 176.8 | -35.3 | 32.5 | -13.2 | 0 | 0 | 0 | 112.6 | ||||
| 419 | R | 24.2 | Very low | 26.8 | Very low | 241 Ų | 241 | 143.5 Ų | 143.5 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | 164.1 | 145.2 | 123 | -88.2 | 176.5 | -174.8 | -161.3 | 1.7 | 114.8 | |||||
| 420 | H | 25.1 | Very low | 26.8 | Very low | 197 Ų | 197 | 145 Ų | 145 | 91% | 0.912 | 77% | 0.768 | S | S | * | * | trans | -69 | 150.9 | -179.2 | -74.2 | -88.6 | 0 | 0 | 0 | 115.6 | ||||
| 421 | A | 25.7 | Very low | 26.7 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 88% | 0.884 | 77% | 0.77 | S | S | * | * | trans | -159.5 | 141.8 | 135.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 422 | S | 24.6 | Very low | 26.5 | Very low | 116 Ų | 116 | 148.5 Ų | 148.5 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -91.7 | 147.5 | -178.8 | 49.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 423 | S | 26.5 | Very low | 26.6 | Very low | 130 Ų | 130 | 149.2 Ų | 149.2 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -178.7 | 153.7 | 137.1 | 55.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 424 | D | 25.1 | Very low | 26.7 | Very low | 149 Ų | 149 | 152 Ų | 152 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -69.3 | 157.1 | -167.5 | -94.6 | -49.6 | 0 | 0 | 0 | 119.7 | ||||
| 425 | R | 25.2 | Very low | 26.7 | Very low | 225 Ų | 225 | 155.8 Ų | 155.8 | 85% | 0.849 | 81% | 0.809 | S | S | * | * | trans | 71 | 118 | 143.3 | -74.4 | -176 | 175.3 | -155.4 | -1.8 | 123.8 | ||||
| 426 | S | 23.4 | Very low | 26.8 | Very low | 108 Ų | 108 | 152.1 Ų | 152.1 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | trans | 63.2 | 111.2 | 139 | 65 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 427 | S | 24 | Very low | 26.9 | Very low | 111 Ų | 111 | 149.4 Ų | 149.4 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | 172.1 | 145.6 | 106.5 | 41.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 428 | Q | 26.8 | Very low | 27.1 | Very low | 192 Ų | 192 | 152.8 Ų | 152.8 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | trans | 73.8 | 103 | 159.2 | -82.7 | 170 | -24.5 | 0 | 0 | 120.8 | ||||
| 429 | A | 25.3 | Very low | 26.7 | Very low | 102 Ų | 102 | 152.6 Ų | 152.6 | 84% | 0.843 | 83% | 0.832 | S | S | * | * | trans | -72.5 | 151.7 | 155.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 430 | S | 26.7 | Very low | 27.3 | Very low | 95 Ų | 95 | 147.7 Ų | 147.7 | 66% | 0.664 | 83% | 0.829 | S | S | * | * | trans | -168.6 | 116.5 | 148 | 162.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 431 | N | 26.2 | Very low | 27.9 | Very low | 132 Ų | 132 | 146 Ų | 146 | 71% | 0.706 | 83% | 0.825 | S | S | * | * | trans | 65.9 | 126.4 | 137.9 | -56 | -21.7 | 0 | 0 | 0 | 117.9 | ||||
| 432 | Y | 25.6 | Very low | 28.5 | Very low | 212 Ų | 212 | 146.7 Ų | 146.7 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | cis | -148.5 | 126.9 | 46.5 | -83.9 | -100.7 | 0 | 0 | 0 | 111.7 | ||||
| 433 | K | 29.3 | Very low | 29.4 | Very low | 207 Ų | 207 | 144 Ų | 144 | 90% | 0.9 | 79% | 0.789 | S | S | * | * | trans | -130.3 | 115.2 | 156 | -87.9 | -171.8 | 176.8 | -178.8 | 0 | 108.6 | ||||
| 434 | N | 28.2 | Very low | 30 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | trans | -65.3 | 134.1 | 175.7 | -91.7 | -25 | 0 | 0 | 0 | 110.8 | ||||
| 435 | R | 28.1 | Very low | 30.7 | Very low | 245 Ų | 245 | 139 Ų | 139 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | trans | -102.5 | 112.8 | 180 | -175.1 | -175 | -172.3 | -171.7 | 2.5 | 106.1 | ||||
| 436 | A | 28.9 | Very low | 31.4 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 88% | 0.884 | 74% | 0.74 | S | S | * | * | trans | -142.6 | 79.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 437 | G | 33.1 | Very low | 32.2 | Very low | 66 Ų | 66 | 127.4 Ų | 127.4 | 68% | 0.68 | 72% | 0.718 | S | S | * | * | trans | -124.1 | 93.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 438 | F | 26.4 | Very low | 33 | Very low | 207 Ų | 207 | 126.3 Ų | 126.3 | 91% | 0.908 | 71% | 0.707 | S | S | * | * | trans | -131.5 | 96 | 166.5 | -102.2 | -86.5 | 0 | 0 | 0 | 107.9 | ||||
| 439 | A | 33 | Very low | 33.9 | Very low | 90 Ų | 90 | 123.7 Ų | 123.7 | 74% | 0.744 | 69% | 0.693 | S | S | * | * | trans | -68.8 | 125.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | I441 | A439-I441 PolarHBondContact O-N 3.42Š| ||
| 440 | T | 36.8 | Very low | 34.7 | Very low | 137 Ų | 137 | 122.8 Ų | 122.8 | 84% | 0.84 | 67% | 0.671 | S | S | * | * | trans | -65.8 | 115.8 | 174.5 | -37.4 | 0 | 0 | 0 | 0 | 109 | K442 | T440-K442 PolarHBondContact O-N 3.5Å; T440-K442 VanDerWaalsContact O-N 3.15Å | ||
| 441 | I | 37.3 | Very low | 35.7 | Very low | 163 Ų | 163 | 122 Ų | 122 | 84% | 0.836 | 66% | 0.659 | S | S | * | * | trans | -67.4 | 110.3 | -177.7 | -63.1 | 171 | 0 | 0 | 0 | 109 | A439 | A439-I441 PolarHBondContact O-N 3.42Š| ||
| 442 | K | 38.8 | Very low | 36.6 | Very low | 120 Ų | 120 | 119 Ų | 119 | 52% | 0.522 | 64% | 0.641 | S | S | . | * | trans | -70.9 | 148.1 | 168.7 | -66.9 | -180 | 178.8 | -178.8 | 0 | 109.4 | T440 V447 | T440-K442 PolarHBondContact O-N 3.5Å; T440-K442 VanDerWaalsContact O-N 3.15Å; K442-V447 HydrophobicContact CB-CG2 3.42Å; K442-V447 VanDerWaalsContact CB-CG2 3.42Å; K442-V447 HydrophobicContact CD-CG2 4.04Å; K442-V447 HydrophobicContact CG-CG2 4.37Å | ||
| 443 | S | 43.8 | Very low | 37.6 | Very low | 60 Ų | 60 | 113.7 Ų | 113.7 | 42% | 0.42 | 62% | 0.623 | S | S | . | * | trans | -65.2 | 137.5 | 174.6 | 59.7 | 0 | 0 | 0 | 0 | 110.8 | S445 L446 V447 | S443-S445 PolarHBondContact O-N 3.33Å; S443-S445 VanDerWaalsContact O-N 3.14Å; S443-L446 PolarHBondContact O-N 2.94Å; S443-V447 PolarHBondContact O-N 3.05Å | ||
| 444 | A | 37.7 | Very low | 38.3 | Very low | 77 Ų | 77 | 108.4 Ų | 108.4 | 64% | 0.636 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -52.1 | -40.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L446 V447 T448 | A444-L446 PolarHBondContact O-N 3.38Å; A444-V447 PolarHBondContact O-N 3.45Å; A444-T448 PolarHBondContact O-N 3.41Å; A444-T448 PolarHBondContact O-OG1 3.28Å |
| 445 | S | 39.7 | Very low | 39.1 | Very low | 98 Ų | 98 | 104.5 Ų | 104.5 | 69% | 0.685 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.8 | -37 | 177.9 | 160.6 | 0 | 0 | 0 | 0 | 114.2 | S443 K449 | S443-S445 PolarHBondContact O-N 3.33Å; S443-S445 VanDerWaalsContact O-N 3.14Å; S445-K449 PolarHBondContact O-N 3.45Å |
| 446 | L | 39.6 | Very low | 40 | Very low | 39 Ų | 39 | 96.8 Ų | 96.8 | 20% | 0.204 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -75.4 | -38.5 | 179.7 | -168.8 | 78.5 | 0 | 0 | 0 | 110.8 | L308 S443 A444 K449 Q450 | L308-L446 HydrophobicContact CD1-CD1 3.59Å; S443-L446 PolarHBondContact O-N 2.94Å; A444-L446 PolarHBondContact O-N 3.38Å; L446-K449 PolarHBondContact O-N 3.32Å; L446-Q450 WeakPolarHBondContact O-CB 3.18Å; L446-Q450 WeakPolarHBondContact O-CG 3.24Å; L446-Q450 PolarHBondContact O-N 3.18Å |
| 447 | V | 40.3 | Very low | 40.7 | Very low | 49 Ų | 49 | 96 Ų | 96 | 30% | 0.297 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 175.1 | 177.1 | 0 | 0 | 0 | 0 | 110.1 | K442 S443 A444 K449 I451 | K442-V447 HydrophobicContact CB-CG2 3.42Å; K442-V447 VanDerWaalsContact CB-CG2 3.42Å; K442-V447 HydrophobicContact CD-CG2 4.04Å; K442-V447 HydrophobicContact CG-CG2 4.37Å; S443-V447 PolarHBondContact O-N 3.05Å; A444-V447 PolarHBondContact O-N 3.45Å; V447-K449 PolarHBondContact O-N 2.94Å; V447-I451 HydrophobicContact CG1-CD1 3.49Å; V447-I451 VanDerWaalsContact CG1-CD1 3.49Å; V447-I451 HydrophobicContact CG1-CG1 4.27Å; V447-I451 VanDerWaalsContact O-CB 3.25Å; V447-I451 WeakPolarHBondContact O-CB 3.25Å; V447-I451 WeakPolarHBondContact O-CD1 3.41Å; V447-I451 WeakPolarHBondContact O-CG1 3.5Å; V447-I451 PolarHBondContact O-N 3.3Å |
| 448 | T | 41.8 | Very low | 41.2 | Very low | 89 Ų | 89 | 95.6 Ų | 95.6 | 55% | 0.546 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 178 | -41.5 | 0 | 0 | 0 | 0 | 112.5 | A444 H452 | A444-T448 PolarHBondContact O-N 3.41Å; A444-T448 PolarHBondContact O-OG1 3.28Å; T448-H452 PolarHBondContact O-N 3.09Å |
| 449 | K | 45.1 | Very low | 42.4 | Very low | 136 Ų | 136 | 88.9 Ų | 88.9 | 59% | 0.591 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -72.9 | -41.1 | 179.6 | -167.1 | 176.4 | 178.6 | -178.3 | 0 | 112.6 | S445 L446 V447 I451 H452 E453 | S445-K449 PolarHBondContact O-N 3.45Å; L446-K449 PolarHBondContact O-N 3.32Å; V447-K449 PolarHBondContact O-N 2.94Å; K449-I451 VanDerWaalsContact C-N 3.34Å; K449-H452 PolarHBondContact O-N 3.33Å; K449-E453 WeakPolarHBondContact CE-OE1 3.35Å; K449-E453 PolarHBondContact O-N 3.28Å |
| 450 | Q | 42.8 | Very low | 43.3 | Very low | 83 Ų | 83 | 87.3 Ų | 87.3 | 39% | 0.388 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 173.3 | -76.3 | -177.6 | -21.7 | 0 | 0 | 111.8 | L446 H452 H454 | L446-Q450 WeakPolarHBondContact O-CB 3.18Å; L446-Q450 WeakPolarHBondContact O-CG 3.24Å; L446-Q450 PolarHBondContact O-N 3.18Å; Q450-H452 VanDerWaalsContact C-N 3.34Å; Q450-H454 WeakPolarHBondContact O-CB 3.47Å; Q450-H454 PolarHBondContact O-N 2.98Å |
| 451 | I | 47.2 | Very low | 43.9 | Very low | 80 Ų | 80 | 85.9 Ų | 85.9 | 41% | 0.41 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 173 | -72.1 | 167.7 | 0 | 0 | 0 | 110.4 | V447 K449 H454 E455 | V447-I451 HydrophobicContact CG1-CD1 3.49Å; V447-I451 VanDerWaalsContact CG1-CD1 3.49Å; V447-I451 HydrophobicContact CG1-CG1 4.27Å; V447-I451 VanDerWaalsContact O-CB 3.25Å; V447-I451 WeakPolarHBondContact O-CB 3.25Å; V447-I451 WeakPolarHBondContact O-CD1 3.41Å; V447-I451 WeakPolarHBondContact O-CG1 3.5Å; V447-I451 PolarHBondContact O-N 3.3Å; K449-I451 VanDerWaalsContact C-N 3.34Å; I451-H454 PolarHBondContact O-N 3.32Å; I451-E455 HydrophobicContact CG2-CG 4.11Å; I451-E455 VanDerWaalsContact O-CB 3.23Å; I451-E455 WeakPolarHBondContact O-CB 3.35Å; I451-E455 VanDerWaalsContact O-CG 3.22Å; I451-E455 WeakPolarHBondContact O-CG 3.41Å; I451-E455 PolarHBondContact O-N 2.71Å |
| 452 | H | 45.9 | Very low | 44.8 | Very low | 69 Ų | 69 | 84.7 Ų | 84.7 | 32% | 0.319 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.5 | -43.5 | -179.7 | -128 | 47.3 | 0 | 0 | 0 | 113.8 | T448 K449 Q450 H454 E455 Q456 R702 | T448-H452 PolarHBondContact O-N 3.09Å; K449-H452 PolarHBondContact O-N 3.33Å; Q450-H452 VanDerWaalsContact C-N 3.34Å; H452-H454 VanDerWaalsContact C-N 3.33Å; H452-E455 IonicContact CE1-OE2 3.02Å; H452-E455 IonicContact ND1-OE2 3.01Å; H452-E455 PolarHBondContact ND1-OE2 3.11Å; H452-E455 PolarHBondContact O-N 3.35Å; H452-Q456 WeakPolarHBondContact O-CG 3.46Å; H452-Q456 PolarHBondContact O-N 2.88Å; H452-R702 PolarHBondContact CE1-NH1 3.17Å; H452-R702 PolarHBondContact NE2-NH1 3.21Å; H452-R702 VanDerWaalsContact NE2-NH1 3.15Å |
| 453 | E | 46.4 | Very low | 45.7 | Very low | 100 Ų | 100 | 81.1 Ų | 81.1 | 47% | 0.467 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 176.3 | -71.3 | 172 | -174.3 | 0 | 0 | 110.7 | K449 E457 | K449-E453 WeakPolarHBondContact CE-OE1 3.35Å; K449-E453 PolarHBondContact O-N 3.28Å; E453-E457 PolarHBondContact O-N 3.3Å; E453-E457 VanDerWaalsContact O-N 3.12Å |
| 454 | H | 44.5 | Very low | 46.4 | Very low | 96 Ų | 96 | 79.2 Ų | 79.2 | 44% | 0.444 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -71 | -37.9 | 174.8 | 178.7 | -83.2 | 0 | 0 | 0 | 113.2 | H37 Q450 I451 H452 E457 S458 | H37-H454 AromaticContact CD2-CD2 3.99Å; H37-H454 AromaticContact NE2-CD2 3.81Å; Q450-H454 WeakPolarHBondContact O-CB 3.47Å; Q450-H454 PolarHBondContact O-N 2.98Å; I451-H454 PolarHBondContact O-N 3.32Å; H452-H454 VanDerWaalsContact C-N 3.33Å; H454-E457 PolarHBondContact O-N 2.98Å; H454-S458 WeakPolarHBondContact O-CB 3.32Å; H454-S458 PolarHBondContact O-N 3.03Å |
| 455 | E | 44.2 | Very low | 47.4 | Very low | 84 Ų | 84 | 77.7 Ų | 77.7 | 39% | 0.393 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 172.8 | -84.7 | 171.8 | 166.9 | 0 | 0 | 109.9 | I451 H452 E457 S458 E459 | I451-E455 HydrophobicContact CG2-CG 4.11Å; I451-E455 VanDerWaalsContact O-CB 3.23Å; I451-E455 WeakPolarHBondContact O-CB 3.35Å; I451-E455 VanDerWaalsContact O-CG 3.22Å; I451-E455 WeakPolarHBondContact O-CG 3.41Å; I451-E455 PolarHBondContact O-N 2.71Å; H452-E455 IonicContact CE1-OE2 3.02Å; H452-E455 IonicContact ND1-OE2 3.01Å; H452-E455 PolarHBondContact ND1-OE2 3.11Å; H452-E455 PolarHBondContact O-N 3.35Å; E455-E457 PolarHBondContact O-N 3.26Å; E455-S458 PolarHBondContact O-N 3.36Å; E455-E459 WeakPolarHBondContact O-CB 3.47Å; E455-E459 WeakPolarHBondContact O-CG 3.46Å; E455-E459 PolarHBondContact O-N 3.37Å |
| 456 | Q | 47.3 | Very low | 48.6 | Very low | 83 Ų | 83 | 74.9 Ų | 74.9 | 39% | 0.388 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 177.7 | -75.1 | -179.8 | -9.2 | 0 | 0 | 112.7 | H452 L460 E699 | H452-Q456 WeakPolarHBondContact O-CG 3.46Å; H452-Q456 PolarHBondContact O-N 2.88Å; Q456-L460 VanDerWaalsContact O-CB 3.26Å; Q456-L460 WeakPolarHBondContact O-CB 3.47Å; Q456-L460 PolarHBondContact O-N 2.84Å; Q456-L460 VanDerWaalsContact O-N 3.1Å; Q456-E699 PolarHBondContact NE2-OE1 2.8Å |
| 457 | E | 43.9 | Very low | 49.9 | Very low | 90 Ų | 90 | 73.3 Ų | 73.3 | 42% | 0.421 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72.2 | -35.8 | 178.3 | -161.3 | -178 | 167.6 | 0 | 0 | 112.8 | E453 H454 E455 R461 | E453-E457 PolarHBondContact O-N 3.3Å; E453-E457 VanDerWaalsContact O-N 3.12Å; H454-E457 PolarHBondContact O-N 2.98Å; E455-E457 PolarHBondContact O-N 3.26Å; E457-R461 WeakPolarHBondContact O-CG 3.49Å; E457-R461 PolarHBondContact O-N 3.15Å; E457-R461 IonicContact OE1-CZ 3.22Å; E457-R461 IonicContact OE1-NE 2.66Å; E457-R461 IonicContact OE1-NH2 3.59Å; E457-R461 PolarHBondContact OE1-NH2 2.69Å |
| 458 | S | 43.1 | Very low | 51 | Low | 57 Ų | 57 | 73.9 Ų | 73.9 | 40% | 0.399 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -71.4 | -43.7 | 177.1 | -174.8 | 0 | 0 | 0 | 0 | 112 | H454 E455 R461 E462 | H454-S458 WeakPolarHBondContact O-CB 3.32Å; H454-S458 PolarHBondContact O-N 3.03Å; E455-S458 PolarHBondContact O-N 3.36Å; S458-R461 PolarHBondContact O-N 2.86Å; S458-E462 WeakPolarHBondContact O-CB 3.34Å; S458-E462 PolarHBondContact O-N 2.7Å |
| 459 | E | 51.8 | Low | 52.5 | Low | 66 Ų | 66 | 76.4 Ų | 76.4 | 31% | 0.308 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.7 | -40.4 | 177.4 | -73.3 | 177.1 | 139.8 | 0 | 0 | 111.3 | E455 R461 E462 Q463 R695 | E455-E459 WeakPolarHBondContact O-CB 3.47Å; E455-E459 WeakPolarHBondContact O-CG 3.46Å; E455-E459 PolarHBondContact O-N 3.37Å; E459-R461 VanDerWaalsContact C-N 3.31Å; E459-R461 PolarHBondContact O-N 3.35Å; E459-E462 PolarHBondContact O-N 2.99Å; E459-Q463 WeakPolarHBondContact O-CG 3.22Å; E459-Q463 PolarHBondContact O-N 3.46Å; E459-R695 IonicContact OE1-CZ 3.83Å; E459-R695 IonicContact OE1-NH2 3.46Å; E459-R695 PolarHBondContact OE1-NH2 3.16Å; E459-R695 IonicContact OE2-CZ 2.69Å; E459-R695 IonicContact OE2-NE 2.93Å; E459-R695 PolarHBondContact OE2-NE 3.5Å; E459-R695 IonicContact OE2-NH1 3.72Å; E459-R695 PolarHBondContact OE2-NH1 3.13Å; E459-R695 IonicContact OE2-NH2 3.83Å; E459-R695 PolarHBondContact OE2-NH2 3.22Å |
| 460 | L | 51.5 | Low | 54.3 | Low | 58 Ų | 58 | 70.9 Ų | 70.9 | 30% | 0.304 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 174.1 | -174.2 | 67.9 | 0 | 0 | 0 | 111.3 | A231 Q456 M464 | A231-L460 HydrophobicContact CB-CD1 3.81Å; A231-L460 HydrophobicContact CB-CD2 4.49Å; A231-L460 HydrophobicContact CB-CG 4.47Å; Q456-L460 VanDerWaalsContact O-CB 3.26Å; Q456-L460 WeakPolarHBondContact O-CB 3.47Å; Q456-L460 PolarHBondContact O-N 2.84Å; Q456-L460 VanDerWaalsContact O-N 3.1Å; L460-M464 WeakPolarHBondContact O-CB 3.36Å; L460-M464 VanDerWaalsContact O-CG 3.22Å; L460-M464 WeakPolarHBondContact O-CG 3.15Å; L460-M464 PolarHBondContact O-N 2.76Å; L460-M464 VanDerWaalsContact O-N 3.07Å |
| 461 | R | 49.8 | Very low | 55.9 | Low | 106 Ų | 106 | 68.4 Ų | 68.4 | 40% | 0.4 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -70.6 | -34.4 | 174.9 | -76.1 | 179.9 | -156.9 | -100.1 | 0.5 | 112.8 | E457 S458 E459 M464 S465 | E457-R461 WeakPolarHBondContact O-CG 3.49Å; E457-R461 PolarHBondContact O-N 3.15Å; E457-R461 IonicContact OE1-CZ 3.22Å; E457-R461 IonicContact OE1-NE 2.66Å; E457-R461 IonicContact OE1-NH2 3.59Å; E457-R461 PolarHBondContact OE1-NH2 2.69Å; S458-R461 PolarHBondContact O-N 2.86Å; E459-R461 VanDerWaalsContact C-N 3.31Å; E459-R461 PolarHBondContact O-N 3.35Å; R461-M464 PolarHBondContact O-N 2.78Å; R461-S465 WeakPolarHBondContact O-CB 3.36Å; R461-S465 PolarHBondContact O-N 3.27Å |
| 462 | E | 55.8 | Low | 57.1 | Low | 139 Ų | 139 | 72.1 Ų | 72.1 | 65% | 0.65 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -68.2 | -43.2 | 177.4 | -170.4 | 165.1 | -158.7 | 0 | 0 | 111.5 | S458 E459 M464 S465 G466 | S458-E462 WeakPolarHBondContact O-CB 3.34Å; S458-E462 PolarHBondContact O-N 2.7Å; E459-E462 PolarHBondContact O-N 2.99Å; E462-M464 PolarHBondContact O-N 2.85Å; E462-S465 WeakPolarHBondContact O-CB 3.43Å; E462-S465 PolarHBondContact O-N 2.95Å; E462-S465 VanDerWaalsContact O-N 3.17Å; E462-G466 PolarHBondContact O-N 3.49Å |
| 463 | Q | 57 | Low | 58.6 | Low | 44 Ų | 44 | 74 Ų | 74 | 21% | 0.206 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60 | -45.5 | 171.5 | -74.6 | -177.7 | -25.3 | 0 | 0 | 111.4 | E459 S465 G466 Y467 E691 | E459-Q463 WeakPolarHBondContact O-CG 3.22Å; E459-Q463 PolarHBondContact O-N 3.46Å; Q463-S465 VanDerWaalsContact C-N 3.31Å; Q463-S465 PolarHBondContact O-N 2.93Å; Q463-G466 PolarHBondContact O-N 3.33Å; Q463-Y467 WeakPolarHBondContact O-CB 3.44Å; Q463-Y467 PolarHBondContact O-N 2.9Å; Q463-E691 PolarHBondContact NE2-OE2 3.35Å |
| 464 | M | 58.4 | Low | 60.5 | Low | 21 Ų | 21 | 69.8 Ų | 69.8 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.3 | -31.8 | 175.3 | -69 | -57.4 | -69.6 | 0 | 0 | 112.8 | F183 M232 L235 L460 R461 E462 K468 | F183-M464 HydrophobicContact CE1-CE 3.66Å; F183-M464 HydrophobicContact CZ-CE 4.26Å; M232-M464 HydrophobicContact SD-CE 4.44Å; M232-M464 HydrophobicContact SD-SD 4.03Å; L235-M464 HydrophobicContact CD1-CE 4.14Å; L460-M464 WeakPolarHBondContact O-CB 3.36Å; L460-M464 VanDerWaalsContact O-CG 3.22Å; L460-M464 WeakPolarHBondContact O-CG 3.15Å; L460-M464 PolarHBondContact O-N 2.76Å; L460-M464 VanDerWaalsContact O-N 3.07Å; R461-M464 PolarHBondContact O-N 2.78Å; E462-M464 PolarHBondContact O-N 2.85Å; M464-K468 WeakPolarHBondContact O-CB 3.39Å; M464-K468 WeakPolarHBondContact O-CG 3.44Å; M464-K468 PolarHBondContact O-N 3.27Å |
| 465 | S | 59.6 | Low | 62.2 | Low | 44 Ų | 44 | 69.8 Ų | 69.8 | 31% | 0.308 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.1 | -42.4 | 174.8 | -175.3 | 0 | 0 | 0 | 0 | 111.5 | R461 E462 Q463 K468 R469 | R461-S465 WeakPolarHBondContact O-CB 3.36Å; R461-S465 PolarHBondContact O-N 3.27Å; E462-S465 WeakPolarHBondContact O-CB 3.43Å; E462-S465 PolarHBondContact O-N 2.95Å; E462-S465 VanDerWaalsContact O-N 3.17Å; Q463-S465 VanDerWaalsContact C-N 3.31Å; Q463-S465 PolarHBondContact O-N 2.93Å; S465-K468 PolarHBondContact O-N 3.16Å; S465-R469 WeakPolarHBondContact O-CB 3.48Å; S465-R469 PolarHBondContact O-N 3.25Å |
| 466 | G | 65.3 | Low | 64 | Low | 39 Ų | 39 | 73.4 Ų | 73.4 | 40% | 0.402 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E462 Q463 R469 M470 | E462-G466 PolarHBondContact O-N 3.49Å; Q463-G466 PolarHBondContact O-N 3.33Å; G466-R469 WeakPolarHBondContact O-CB 3.43Å; G466-R469 PolarHBondContact O-N 2.95Å; G466-M470 PolarHBondContact O-N 3.46Å |
| 467 | Y | 66.7 | Low | 66.1 | Low | 7 Ų | 7 | 72.9 Ų | 72.9 | 3% | 0.027 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 176.2 | -173 | -96.5 | 0 | 0 | 0 | 112.1 | M198 M232 Q463 R469 M470 R471 Q681 E685 | M198-Y467 HydrophobicContact CE-CE1 3.59Å; M232-Y467 HydrophobicContact CE-CE1 4.24Å; M232-Y467 HydrophobicContact CE-CE2 4.13Å; Q463-Y467 WeakPolarHBondContact O-CB 3.44Å; Q463-Y467 PolarHBondContact O-N 2.9Å; Y467-R469 VanDerWaalsContact C-N 3.31Å; Y467-R469 PolarHBondContact O-N 3.47Å; Y467-M470 HydrophobicContact CD2-CE 3.65Å; Y467-M470 HydrophobicContact CE2-CE 3.61Å; Y467-M470 HydrophobicContact CG-CE 4.44Å; Y467-M470 PolarHBondContact O-N 3.1Å; Y467-R471 HydrophobicContact CD1-CG 4.09Å; Y467-R471 HydrophobicContact CE1-CG 3.78Å; Y467-R471 WeakPolarHBondContact O-CG 3.5Å; Y467-R471 PolarHBondContact O-N 2.89Å; Y467-Q681 HydrophobicContact CE2-CG 4.35Å; Y467-Q681 PolarHBondContact OH-NE2 3.35Å; Y467-Q681 VanDerWaalsContact OH-NE2 3.09Å; Y467-E685 HydrophobicContact CE2-CG 3.86Å; Y467-E685 PolarHBondContact OH-OE1 3.39Å |
| 468 | K | 64 | Low | 68.2 | Low | 60 Ų | 60 | 70.1 Ų | 70.1 | 26% | 0.261 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 173.7 | -78.6 | 174.1 | -174.5 | -170.2 | 0 | 112 | F183 M464 S465 R471 R472 | F183-K468 HydrophobicContact CD1-CG 4.33Å; F183-K468 VanDerWaalsContact O-CE 3.32Å; F183-K468 WeakPolarHBondContact O-CE 3.4Å; F183-K468 PolarHBondContact O-NZ 3.44Å; M464-K468 WeakPolarHBondContact O-CB 3.39Å; M464-K468 WeakPolarHBondContact O-CG 3.44Å; M464-K468 PolarHBondContact O-N 3.27Å; S465-K468 PolarHBondContact O-N 3.16Å; K468-R471 PolarHBondContact O-N 3.21Å; K468-R472 WeakPolarHBondContact O-CB 3.4Å; K468-R472 VanDerWaalsContact O-CG 3.32Å; K468-R472 WeakPolarHBondContact O-CG 3.45Å; K468-R472 PolarHBondContact O-N 2.88Å |
| 469 | R | 72.8 | Confident | 70.1 | Confident | 142 Ų | 142 | 71.3 Ų | 71.3 | 54% | 0.536 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.6 | -47.2 | 177.3 | -174.1 | -173.9 | -62.7 | 170.5 | 4.2 | 111.4 | S465 G466 Y467 R471 R472 Q473 | S465-R469 WeakPolarHBondContact O-CB 3.48Å; S465-R469 PolarHBondContact O-N 3.25Å; G466-R469 WeakPolarHBondContact O-CB 3.43Å; G466-R469 PolarHBondContact O-N 2.95Å; Y467-R469 VanDerWaalsContact C-N 3.31Å; Y467-R469 PolarHBondContact O-N 3.47Å; R469-R471 VanDerWaalsContact C-N 3.34Å; R469-R471 PolarHBondContact O-N 2.85Å; R469-R472 PolarHBondContact O-N 2.96Å; R469-Q473 WeakPolarHBondContact O-CB 3.19Å; R469-Q473 PolarHBondContact O-N 2.95Å |
| 470 | M | 81.6 | Confident | 72 | Confident | 21 Ų | 21 | 71 Ų | 71 | 10% | 0.103 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.4 | -47.7 | 176.3 | 174.5 | -81.4 | -77.8 | 0 | 0 | 110.8 | G466 Y467 R472 Q473 H474 Q681 | G466-M470 PolarHBondContact O-N 3.46Å; Y467-M470 HydrophobicContact CD2-CE 3.65Å; Y467-M470 HydrophobicContact CE2-CE 3.61Å; Y467-M470 HydrophobicContact CG-CE 4.44Å; Y467-M470 PolarHBondContact O-N 3.1Å; M470-R472 PolarHBondContact O-N 3.14Å; M470-Q473 CarbonylContact O-C 3.55Å; M470-Q473 WeakPolarHBondContact O-CA 3.45Å; M470-Q473 WeakPolarHBondContact O-CB 3.47Å; M470-Q473 PolarHBondContact O-N 3.1Å; M470-H474 PolarHBondContact O-CD2 3.36Å; M470-H474 VanDerWaalsContact O-CD2 3.22Å; M470-H474 PolarHBondContact O-N 3.18Å; M470-H474 PolarHBondContact SD-CE1 3.1Å; M470-H474 PolarHBondContact SD-ND1 2.86Å; M470-H474 VanDerWaalsContact SD-ND1 3.45Å; M470-H474 PolarHBondContact SD-NE2 3.21Å; M470-H474 VanDerWaalsContact SD-NE2 3.36Å; M470-Q681 HydrophobicContact CE-CB 4.06Å; M470-Q681 HydrophobicContact CE-CG 4.07Å |
| 471 | R | 76.4 | Confident | 74.1 | Confident | 30 Ų | 30 | 69.5 Ų | 69.5 | 11% | 0.113 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63 | -42.5 | 178.6 | -70.1 | -70.9 | -62.8 | -165.3 | -5.5 | 112.9 | M198 D199 Y467 K468 R469 Q473 H474 Q475 | M198-R471 VanDerWaalsContact C-NH2 3.28Å; M198-R471 PolarHBondContact O-NH2 3.1Å; D199-R471 IonicContact OD1-CZ 2.87Å; D199-R471 VanDerWaalsContact OD1-CZ 3.3Å; D199-R471 IonicContact OD1-NH1 3.94Å; D199-R471 PolarHBondContact OD1-NH1 3.04Å; D199-R471 IonicContact OD1-NH2 3.57Å; D199-R471 PolarHBondContact OD1-NH2 3.12Å; D199-R471 IonicContact OD2-CZ 2.69Å; D199-R471 IonicContact OD2-NH1 3.75Å; D199-R471 IonicContact OD2-NH2 3.18Å; D199-R471 PolarHBondContact OD2-NH2 3.13Å; Y467-R471 HydrophobicContact CD1-CG 4.09Å; Y467-R471 HydrophobicContact CE1-CG 3.78Å; Y467-R471 WeakPolarHBondContact O-CG 3.5Å; Y467-R471 PolarHBondContact O-N 2.89Å; K468-R471 PolarHBondContact O-N 3.21Å; R469-R471 VanDerWaalsContact C-N 3.34Å; R469-R471 PolarHBondContact O-N 2.85Å; R471-Q473 VanDerWaalsContact C-N 3.27Å; R471-Q473 PolarHBondContact O-N 2.94Å; R471-H474 WeakPolarHBondContact O-CB 3.33Å; R471-H474 PolarHBondContact O-N 3.39Å; R471-Q475 PolarHBondContact O-N 3.03Å |
| 472 | R | 72.3 | Confident | 76 | Confident | 159 Ų | 159 | 68.1 Ų | 68.1 | 60% | 0.6 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59.4 | -39 | 172.1 | -75.5 | 175.9 | -179.1 | 176.9 | 1.9 | 111.9 | K468 R469 M470 K476 | K468-R472 WeakPolarHBondContact O-CB 3.4Å; K468-R472 VanDerWaalsContact O-CG 3.32Å; K468-R472 WeakPolarHBondContact O-CG 3.45Å; K468-R472 PolarHBondContact O-N 2.88Å; R469-R472 PolarHBondContact O-N 2.96Å; M470-R472 PolarHBondContact O-N 3.14Å; R472-K476 WeakPolarHBondContact O-CB 3.36Å; R472-K476 PolarHBondContact O-N 3.5Å |
| 473 | Q | 78.7 | Confident | 77.8 | Confident | 109 Ų | 109 | 66.1 Ų | 66.1 | 51% | 0.509 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.7 | -41.5 | 176.9 | -178.2 | 177.9 | -5.6 | 0 | 0 | 111.7 | R469 M470 R471 K476 Q477 | R469-Q473 WeakPolarHBondContact O-CB 3.19Å; R469-Q473 PolarHBondContact O-N 2.95Å; M470-Q473 CarbonylContact O-C 3.55Å; M470-Q473 WeakPolarHBondContact O-CA 3.45Å; M470-Q473 WeakPolarHBondContact O-CB 3.47Å; M470-Q473 PolarHBondContact O-N 3.1Å; R471-Q473 VanDerWaalsContact C-N 3.27Å; R471-Q473 PolarHBondContact O-N 2.94Å; Q473-K476 PolarHBondContact O-N 3.14Å; Q473-Q477 WeakPolarHBondContact O-CG 3.45Å; Q473-Q477 PolarHBondContact O-N 3.41Å |
| 474 | H | 86.9 | Confident | 79.7 | Confident | 10 Ų | 10 | 71.4 Ų | 71.4 | 5% | 0.046 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.7 | -49.3 | 174.4 | -72.5 | -161.3 | 0 | 0 | 0 | 111 | M470 R471 K476 Q477 L478 L677 | M470-H474 PolarHBondContact O-CD2 3.36Å; M470-H474 VanDerWaalsContact O-CD2 3.22Å; M470-H474 PolarHBondContact O-N 3.18Å; M470-H474 PolarHBondContact SD-CE1 3.1Å; M470-H474 PolarHBondContact SD-ND1 2.86Å; M470-H474 VanDerWaalsContact SD-ND1 3.45Å; M470-H474 PolarHBondContact SD-NE2 3.21Å; M470-H474 VanDerWaalsContact SD-NE2 3.36Å; R471-H474 WeakPolarHBondContact O-CB 3.33Å; R471-H474 PolarHBondContact O-N 3.39Å; H474-K476 VanDerWaalsContact C-N 3.33Å; H474-K476 PolarHBondContact O-N 3.47Å; H474-Q477 WeakPolarHBondContact O-CB 3.33Å; H474-Q477 PolarHBondContact O-N 3.21Å; H474-Q477 VanDerWaalsContact O-N 3.12Å; H474-L478 PolarHBondContact O-N 3.49Å; H474-L677 HydrophobicContact CB-CD1 4.1Å; H474-L677 HydrophobicContact CB-CD2 4.19Å; H474-L677 PolarHBondContact CE1-O 3.47Å |
| 475 | Q | 79.7 | Confident | 81.4 | Confident | 96 Ų | 96 | 71.3 Ų | 71.3 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.2 | -43 | 177.4 | -169.1 | 177.8 | 27.8 | 0 | 0 | 111.9 | R471 Q477 L478 I479 | R471-Q475 PolarHBondContact O-N 3.03Å; Q475-Q477 VanDerWaalsContact C-N 3.31Å; Q475-Q477 PolarHBondContact O-N 3.18Å; Q475-L478 PolarHBondContact O-N 3.19Å; Q475-I479 HydrophobicContact CG-CD1 4.01Å; Q475-I479 WeakPolarHBondContact O-CG1 3.48Å; Q475-I479 PolarHBondContact O-N 3.12Å |
| 476 | K | 82.4 | Confident | 83.1 | Confident | 160 Ų | 160 | 75.4 Ų | 75.4 | 70% | 0.696 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -60.5 | -39.6 | 175.6 | -175.6 | 179.3 | 177.9 | -178.7 | 0 | 112.2 | R472 Q473 H474 A480 | R472-K476 WeakPolarHBondContact O-CB 3.36Å; R472-K476 PolarHBondContact O-N 3.5Å; Q473-K476 PolarHBondContact O-N 3.14Å; H474-K476 VanDerWaalsContact C-N 3.33Å; H474-K476 PolarHBondContact O-N 3.47Å; K476-A480 VanDerWaalsContact O-CB 3.25Å; K476-A480 WeakPolarHBondContact O-CB 3.42Å; K476-A480 PolarHBondContact O-N 3.23Å |
| 477 | Q | 90 | Very high | 84.6 | Confident | 72 Ų | 72 | 76.3 Ų | 76.3 | 34% | 0.336 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.9 | -41.6 | 177.6 | -72.1 | 179.1 | 36.4 | 0 | 0 | 112 | Q473 H474 Q475 A480 L481 L673 | Q473-Q477 WeakPolarHBondContact O-CG 3.45Å; Q473-Q477 PolarHBondContact O-N 3.41Å; H474-Q477 WeakPolarHBondContact O-CB 3.33Å; H474-Q477 PolarHBondContact O-N 3.21Å; H474-Q477 VanDerWaalsContact O-N 3.12Å; Q475-Q477 VanDerWaalsContact C-N 3.31Å; Q475-Q477 PolarHBondContact O-N 3.18Å; Q477-A480 PolarHBondContact O-N 3.46Å; Q477-L481 PolarHBondContact O-N 3.34Å; Q477-L673 HydrophobicContact CB-CD2 4.5Å |
| 478 | L | 87.6 | Confident | 86 | Confident | 33 Ų | 33 | 79.4 Ų | 79.4 | 17% | 0.173 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.9 | -51.4 | 176.1 | -73 | 169.4 | 0 | 0 | 0 | 111.5 | H474 Q475 A480 L481 E482 L670 L673 R674 L677 | H474-L478 PolarHBondContact O-N 3.49Å; Q475-L478 PolarHBondContact O-N 3.19Å; L478-A480 VanDerWaalsContact C-N 3.28Å; L478-A480 PolarHBondContact O-N 3.01Å; L478-L481 PolarHBondContact O-N 2.91Å; L478-L481 VanDerWaalsContact O-N 3.1Å; L478-E482 WeakPolarHBondContact O-CG 3.44Å; L478-E482 PolarHBondContact O-N 3.3Å; L478-L670 HydrophobicContact CD2-CD1 4.23Å; L478-L673 HydrophobicContact CD2-CD2 4.06Å; L478-L673 HydrophobicContact CD2-CG 4.27Å; L478-R674 HydrophobicContact CD2-CG 3.76Å; L478-L677 HydrophobicContact CD1-CD1 4.13Å; L478-L677 HydrophobicContact CD2-CD1 4.03Å; L478-L677 HydrophobicContact CG-CD1 3.76Å |
| 479 | I | 84.1 | Confident | 87.6 | Confident | 81 Ų | 81 | 79 Ų | 79 | 42% | 0.415 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.7 | -41 | 178.3 | -67 | 167.9 | 0 | 0 | 0 | 111.2 | Q475 E482 N483 | Q475-I479 HydrophobicContact CG-CD1 4.01Å; Q475-I479 WeakPolarHBondContact O-CG1 3.48Å; Q475-I479 PolarHBondContact O-N 3.12Å; I479-E482 PolarHBondContact O-N 3.03Å; I479-N483 WeakPolarHBondContact O-CB 3.35Å; I479-N483 VanDerWaalsContact O-CG 3.32Å; I479-N483 PolarHBondContact O-N 2.71Å; I479-N483 PolarHBondContact O-ND2 2.86Å |
| 480 | A | 92.2 | Very high | 88.7 | Confident | 59 Ų | 59 | 75.9 Ų | 75.9 | 49% | 0.488 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K476 Q477 L478 K484 | K476-A480 VanDerWaalsContact O-CB 3.25Å; K476-A480 WeakPolarHBondContact O-CB 3.42Å; K476-A480 PolarHBondContact O-N 3.23Å; Q477-A480 PolarHBondContact O-N 3.46Å; L478-A480 VanDerWaalsContact C-N 3.28Å; L478-A480 PolarHBondContact O-N 3.01Å; A480-K484 WeakPolarHBondContact O-CB 3.31Å; A480-K484 PolarHBondContact O-N 2.96Å; A480-K484 VanDerWaalsContact O-N 3.16Å |
| 481 | L | 94.6 | Very high | 89.5 | Confident | 27 Ų | 27 | 81.9 Ų | 81.9 | 14% | 0.141 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.2 | -47.8 | 175.9 | -178.1 | 63.9 | 0 | 0 | 0 | 111.1 | Q477 L478 N483 K484 L485 T669 L670 L673 | Q477-L481 PolarHBondContact O-N 3.34Å; L478-L481 PolarHBondContact O-N 2.91Å; L478-L481 VanDerWaalsContact O-N 3.1Å; L481-N483 VanDerWaalsContact C-N 3.33Å; L481-N483 PolarHBondContact O-N 3.01Å; L481-K484 WeakPolarHBondContact O-CA 3.36Å; L481-K484 WeakPolarHBondContact O-CB 3.38Å; L481-K484 PolarHBondContact O-N 3.36Å; L481-L485 HydrophobicContact CD1-CD1 4.42Å; L481-L485 HydrophobicContact CD1-CD2 4.27Å; L481-L485 HydrophobicContact CD1-CG 4.19Å; L481-L485 HydrophobicContact CD2-CD1 4.45Å; L481-L485 HydrophobicContact CG-CD1 3.98Å; L481-L485 HydrophobicContact CG-CG 4.19Å; L481-L485 VanDerWaalsContact O-CG 3.3Å; L481-L485 WeakPolarHBondContact O-CG 3.39Å; L481-L485 PolarHBondContact O-N 2.86Å; L481-T669 HydrophobicContact CD1-CG2 4.12Å; L481-T669 HydrophobicContact CD2-CG2 4.15Å; L481-L670 HydrophobicContact CD2-CD1 4.13Å; L481-L673 HydrophobicContact CB-CD2 3.94Å; L481-L673 HydrophobicContact CD2-CB 3.96Å; L481-L673 HydrophobicContact CD2-CD2 3.49Å; L481-L673 VanDerWaalsContact CD2-CD2 3.49Å; L481-L673 HydrophobicContact CD2-CG 4.37Å; L481-L673 HydrophobicContact CG-CD2 4.33Å |
| 482 | E | 90.6 | Very high | 90.5 | Very high | 78 Ų | 78 | 81.8 Ų | 81.8 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57.1 | -44.3 | 179.1 | -73.2 | 175.4 | 165.4 | 0 | 0 | 112.4 | L478 I479 K484 L485 K486 L670 | L478-E482 WeakPolarHBondContact O-CG 3.44Å; L478-E482 PolarHBondContact O-N 3.3Å; I479-E482 PolarHBondContact O-N 3.03Å; E482-K484 VanDerWaalsContact C-N 3.3Å; E482-K484 PolarHBondContact O-N 3.35Å; E482-L485 PolarHBondContact O-N 3.41Å; E482-K486 WeakPolarHBondContact O-CB 3.42Å; E482-K486 PolarHBondContact O-N 3.3Å; E482-L670 HydrophobicContact CG-CD1 4.15Å |
| 483 | N | 92.8 | Very high | 91.6 | Very high | 97 Ų | 97 | 81.1 Ų | 81.1 | 52% | 0.519 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 175.1 | -74.6 | -38.3 | 0 | 0 | 0 | 112.1 | I479 L481 K486 A487 | I479-N483 WeakPolarHBondContact O-CB 3.35Å; I479-N483 VanDerWaalsContact O-CG 3.32Å; I479-N483 PolarHBondContact O-N 2.71Å; I479-N483 PolarHBondContact O-ND2 2.86Å; L481-N483 VanDerWaalsContact C-N 3.33Å; L481-N483 PolarHBondContact O-N 3.01Å; N483-K486 PolarHBondContact O-N 2.97Å; N483-A487 PolarHBondContact O-N 2.85Å |
| 484 | K | 96.8 | Very high | 92.5 | Very high | 154 Ų | 154 | 81.5 Ų | 81.5 | 67% | 0.67 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.8 | -45 | 176.2 | -173.2 | -178.1 | 178.7 | -177.3 | 0 | 111.7 | A480 L481 E482 K486 A487 E488 | A480-K484 WeakPolarHBondContact O-CB 3.31Å; A480-K484 PolarHBondContact O-N 2.96Å; A480-K484 VanDerWaalsContact O-N 3.16Å; L481-K484 WeakPolarHBondContact O-CA 3.36Å; L481-K484 WeakPolarHBondContact O-CB 3.38Å; L481-K484 PolarHBondContact O-N 3.36Å; E482-K484 VanDerWaalsContact C-N 3.3Å; E482-K484 PolarHBondContact O-N 3.35Å; K484-K486 VanDerWaalsContact C-N 3.31Å; K484-K486 PolarHBondContact O-N 2.99Å; K484-A487 PolarHBondContact O-N 2.84Å; K484-E488 PolarHBondContact O-N 3.4Å |
| 485 | L | 95.3 | Very high | 92.9 | Very high | 20 Ų | 20 | 87.3 Ų | 87.3 | 11% | 0.105 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.4 | -37.5 | 177.9 | -60.8 | 174 | 0 | 0 | 0 | 111.2 | L481 E482 E488 M489 Q666 L670 | L481-L485 HydrophobicContact CD1-CD1 4.42Å; L481-L485 HydrophobicContact CD1-CD2 4.27Å; L481-L485 HydrophobicContact CD1-CG 4.19Å; L481-L485 HydrophobicContact CD2-CD1 4.45Å; L481-L485 HydrophobicContact CG-CD1 3.98Å; L481-L485 HydrophobicContact CG-CG 4.19Å; L481-L485 VanDerWaalsContact O-CG 3.3Å; L481-L485 WeakPolarHBondContact O-CG 3.39Å; L481-L485 PolarHBondContact O-N 2.86Å; E482-L485 PolarHBondContact O-N 3.41Å; L485-E488 PolarHBondContact O-N 3.05Å; L485-M489 WeakPolarHBondContact O-CB 3.32Å; L485-M489 PolarHBondContact O-N 3.44Å; L485-Q666 HydrophobicContact CB-CG 4.39Å; L485-Q666 HydrophobicContact CD1-CB 4.28Å; L485-Q666 HydrophobicContact CD2-CB 3.96Å; L485-Q666 HydrophobicContact CD2-CG 3.73Å; L485-Q666 HydrophobicContact CG-CB 4.49Å; L485-Q666 HydrophobicContact CG-CG 4.49Å; L485-Q666 PolarHBondContact O-NE2 3.14Å; L485-L670 HydrophobicContact CD1-CB 4.36Å |
| 486 | K | 94.6 | Very high | 93.7 | Very high | 129 Ų | 129 | 83.9 Ų | 83.9 | 56% | 0.561 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.8 | -48.1 | 173.7 | -174.7 | 177.3 | 179.4 | -179.6 | 0 | 111.9 | E482 N483 K484 E488 M489 D490 | E482-K486 WeakPolarHBondContact O-CB 3.42Å; E482-K486 PolarHBondContact O-N 3.3Å; N483-K486 PolarHBondContact O-N 2.97Å; K484-K486 VanDerWaalsContact C-N 3.31Å; K484-K486 PolarHBondContact O-N 2.99Å; K486-E488 VanDerWaalsContact C-N 3.33Å; K486-E488 PolarHBondContact O-N 3.02Å; K486-M489 PolarHBondContact O-N 3.22Å; K486-D490 PolarHBondContact O-N 3.29Å |
| 487 | A | 96.3 | Very high | 94.4 | Very high | 59 Ų | 59 | 81.4 Ų | 81.4 | 49% | 0.488 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.7 | -42 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N483 K484 M489 D490 E491 | N483-A487 PolarHBondContact O-N 2.85Å; K484-A487 PolarHBondContact O-N 2.84Å; A487-M489 VanDerWaalsContact C-N 3.34Å; A487-M489 PolarHBondContact O-N 2.97Å; A487-D490 PolarHBondContact O-N 3.43Å; A487-E491 PolarHBondContact O-N 3Å |
| 488 | E | 97.4 | Very high | 94.7 | Very high | 72 Ų | 72 | 85 Ų | 85 | 34% | 0.336 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 175.7 | -175.8 | -173.5 | -164.4 | 0 | 0 | 112.1 | K484 L485 K486 H492 L662 Q666 | K484-E488 PolarHBondContact O-N 3.4Å; L485-E488 PolarHBondContact O-N 3.05Å; K486-E488 VanDerWaalsContact C-N 3.33Å; K486-E488 PolarHBondContact O-N 3.02Å; E488-H492 WeakPolarHBondContact O-CB 3.36Å; E488-H492 PolarHBondContact O-N 3.43Å; E488-L662 HydrophobicContact CG-CD1 4.04Å; E488-L662 WeakPolarHBondContact OE1-CD1 3.43Å; E488-Q666 PolarHBondContact OE2-NE2 3.34Å |
| 489 | M | 96.6 | Very high | 95.1 | Very high | 52 Ų | 52 | 87 Ų | 87 | 26% | 0.256 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.3 | -38.4 | 176.3 | 176.2 | 172.8 | 35.1 | 0 | 0 | 112.3 | L485 K486 A487 H492 R493 | L485-M489 WeakPolarHBondContact O-CB 3.32Å; L485-M489 PolarHBondContact O-N 3.44Å; K486-M489 PolarHBondContact O-N 3.22Å; A487-M489 VanDerWaalsContact C-N 3.34Å; A487-M489 PolarHBondContact O-N 2.97Å; M489-H492 PolarHBondContact O-N 3.22Å; M489-R493 WeakPolarHBondContact O-CG 3.11Å; M489-R493 PolarHBondContact O-N 2.96Å |
| 490 | D | 96.4 | Very high | 95.6 | Very high | 75 Ų | 75 | 86 Ų | 86 | 40% | 0.401 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 176.5 | -70.5 | -26.2 | 0 | 0 | 0 | 111.4 | K486 A487 R493 L494 | K486-D490 PolarHBondContact O-N 3.29Å; A487-D490 PolarHBondContact O-N 3.43Å; D490-R493 PolarHBondContact O-N 3.29Å; D490-R493 IonicContact OD1-NH1 2.79Å; D490-L494 PolarHBondContact O-N 2.94Å |
| 491 | E | 97.2 | Very high | 95.7 | Very high | 147 Ų | 147 | 87.9 Ų | 87.9 | 69% | 0.687 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.2 | -44.1 | 173.2 | -174.4 | -179.4 | 174 | 0 | 0 | 111.8 | A487 L494 K495 | A487-E491 PolarHBondContact O-N 3Å; E491-L494 PolarHBondContact O-N 3.27Å; E491-K495 PolarHBondContact O-N 2.83Å |
| 492 | H | 97.6 | Very high | 95.7 | Very high | 29 Ų | 29 | 89.8 Ų | 89.8 | 13% | 0.134 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.7 | -47 | 176.7 | -177.1 | -95.2 | 0 | 0 | 0 | 111.7 | E488 M489 L494 K495 L496 S658 T659 L662 | E488-H492 WeakPolarHBondContact O-CB 3.36Å; E488-H492 PolarHBondContact O-N 3.43Å; M489-H492 PolarHBondContact O-N 3.22Å; H492-L494 VanDerWaalsContact C-N 3.33Å; H492-L494 PolarHBondContact O-N 3.18Å; H492-K495 WeakPolarHBondContact O-CB 3.29Å; H492-K495 PolarHBondContact O-N 2.66Å; H492-K495 VanDerWaalsContact O-N 3.15Å; H492-L496 WeakPolarHBondContact O-CG 3.12Å; H492-L496 PolarHBondContact O-N 3.44Å; H492-S658 PolarHBondContact NE2-OG 3.01Å; H492-T659 PolarHBondContact CE1-OG1 3.46Å; H492-L662 HydrophobicContact CB-CD2 3.58Å |
| 493 | R | 96.1 | Very high | 95.9 | Very high | 144 Ų | 144 | 88.5 Ų | 88.5 | 54% | 0.543 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -57.8 | -44.2 | 175.8 | -74.9 | 173.4 | -179.8 | 176.9 | 1 | 112.5 | M489 D490 K495 L496 Q497 | M489-R493 WeakPolarHBondContact O-CG 3.11Å; M489-R493 PolarHBondContact O-N 2.96Å; D490-R493 PolarHBondContact O-N 3.29Å; D490-R493 IonicContact OD1-NH1 2.79Å; R493-K495 VanDerWaalsContact C-N 3.31Å; R493-K495 PolarHBondContact O-N 3.15Å; R493-L496 PolarHBondContact O-N 3Å; R493-Q497 WeakPolarHBondContact O-CB 3.38Å; R493-Q497 PolarHBondContact O-N 2.98Å |
| 494 | L | 97.1 | Very high | 95.9 | Very high | 118 Ų | 118 | 86.6 Ų | 86.6 | 62% | 0.618 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.6 | -40.3 | 178.3 | -176.1 | 65 | 0 | 0 | 0 | 111.5 | D490 E491 H492 Q497 K498 | D490-L494 PolarHBondContact O-N 2.94Å; E491-L494 PolarHBondContact O-N 3.27Å; H492-L494 VanDerWaalsContact C-N 3.33Å; H492-L494 PolarHBondContact O-N 3.18Å; L494-Q497 PolarHBondContact O-N 3.41Å; L494-K498 PolarHBondContact O-N 3.24Å |
| 495 | K | 97.1 | Very high | 95.8 | Very high | 131 Ų | 131 | 84.1 Ų | 84.1 | 57% | 0.57 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.4 | -48.5 | 174.9 | -175.3 | -176.6 | 175.1 | -174.6 | 0 | 111.4 | E491 H492 R493 Q497 K498 E499 | E491-K495 PolarHBondContact O-N 2.83Å; H492-K495 WeakPolarHBondContact O-CB 3.29Å; H492-K495 PolarHBondContact O-N 2.66Å; H492-K495 VanDerWaalsContact O-N 3.15Å; R493-K495 VanDerWaalsContact C-N 3.31Å; R493-K495 PolarHBondContact O-N 3.15Å; K495-Q497 VanDerWaalsContact C-N 3.34Å; K495-Q497 PolarHBondContact O-N 2.79Å; K495-K498 PolarHBondContact O-N 3.25Å; K495-E499 WeakPolarHBondContact O-CG 3.3Å; K495-E499 PolarHBondContact O-N 3.34Å; K495-E499 VanDerWaalsContact O-N 3.09Å |
| 496 | L | 96 | Very high | 95.7 | Very high | 24 Ų | 24 | 87 Ų | 87 | 13% | 0.126 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 178.3 | -62.3 | -171 | 0 | 0 | 0 | 111.5 | H492 R493 K498 E499 V500 H655 | H492-L496 WeakPolarHBondContact O-CG 3.12Å; H492-L496 PolarHBondContact O-N 3.44Å; R493-L496 PolarHBondContact O-N 3Å; L496-K498 VanDerWaalsContact C-N 3.34Å; L496-K498 PolarHBondContact O-N 3.11Å; L496-E499 PolarHBondContact O-N 2.92Å; L496-V500 PolarHBondContact O-N 3.3Å; L496-H655 HydrophobicContact CD1-CB 4.04Å; L496-H655 HydrophobicContact CD2-CB 4.29Å; L496-H655 PolarHBondContact O-CE1 3.43Å |
| 497 | Q | 95.6 | Very high | 95.7 | Very high | 108 Ų | 108 | 81.9 Ų | 81.9 | 51% | 0.505 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.2 | -45.9 | 177.3 | -178.7 | 177.2 | -10.1 | 0 | 0 | 111.9 | R493 L494 K495 E499 V500 E501 | R493-Q497 WeakPolarHBondContact O-CB 3.38Å; R493-Q497 PolarHBondContact O-N 2.98Å; L494-Q497 PolarHBondContact O-N 3.41Å; K495-Q497 VanDerWaalsContact C-N 3.34Å; K495-Q497 PolarHBondContact O-N 2.79Å; Q497-E499 VanDerWaalsContact C-N 3.29Å; Q497-E499 PolarHBondContact O-N 2.84Å; Q497-V500 PolarHBondContact O-N 2.63Å; Q497-V500 VanDerWaalsContact O-N 3.14Å; Q497-E501 PolarHBondContact NE2-OE1 3.3Å; Q497-E501 WeakPolarHBondContact O-CG 3.26Å; Q497-E501 PolarHBondContact O-N 3.33Å |
| 498 | K | 96.6 | Very high | 95.6 | Very high | 147 Ų | 147 | 86.5 Ų | 86.5 | 64% | 0.639 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.6 | -37.8 | 178 | -173.9 | 176.9 | -179.5 | 178.5 | 0 | 112.4 | L494 K495 L496 T502 | L494-K498 PolarHBondContact O-N 3.24Å; K495-K498 PolarHBondContact O-N 3.25Å; L496-K498 VanDerWaalsContact C-N 3.34Å; L496-K498 PolarHBondContact O-N 3.11Å; K498-T502 WeakPolarHBondContact O-CB 3.49Å; K498-T502 PolarHBondContact O-N 3.02Å; K498-T502 PolarHBondContact O-OG1 3.06Å |
| 499 | E | 95.7 | Very high | 95.5 | Very high | 75 Ų | 75 | 86.7 Ų | 86.7 | 35% | 0.35 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 174.7 | -66.4 | 178.1 | -171.6 | 0 | 0 | 110.7 | K495 L496 Q497 E501 T502 Q503 M651 H655 | K495-E499 WeakPolarHBondContact O-CG 3.3Å; K495-E499 PolarHBondContact O-N 3.34Å; K495-E499 VanDerWaalsContact O-N 3.09Å; L496-E499 PolarHBondContact O-N 2.92Å; Q497-E499 VanDerWaalsContact C-N 3.29Å; Q497-E499 PolarHBondContact O-N 2.84Å; E499-E501 PolarHBondContact O-N 3.46Å; E499-T502 WeakPolarHBondContact O-CB 3.31Å; E499-T502 PolarHBondContact O-N 3.06Å; E499-Q503 PolarHBondContact O-N 3.35Å; E499-M651 HydrophobicContact CB-CE 3.25Å; E499-M651 WeakPolarHBondContact O-CE 3.34Å; E499-H655 IonicContact OE2-CD2 2.8Å; E499-H655 IonicContact OE2-CE1 3.94Å; E499-H655 IonicContact OE2-NE2 3.82Å; E499-H655 PolarHBondContact OE2-NE2 2.92Å |
| 500 | V | 94.4 | Very high | 95.3 | Very high | 61 Ų | 61 | 87.2 Ų | 87.2 | 37% | 0.37 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 179.4 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | L496 Q497 T502 Q503 A504 M651 | L496-V500 PolarHBondContact O-N 3.3Å; Q497-V500 PolarHBondContact O-N 2.63Å; Q497-V500 VanDerWaalsContact O-N 3.14Å; V500-T502 VanDerWaalsContact C-N 3.3Å; V500-T502 PolarHBondContact O-N 3.49Å; V500-Q503 PolarHBondContact O-N 3.22Å; V500-A504 WeakPolarHBondContact O-CB 3.28Å; V500-A504 PolarHBondContact O-N 2.97Å; V500-M651 HydrophobicContact CB-CE 4.42Å; V500-M651 HydrophobicContact CG2-CE 3.93Å; V500-M651 VanDerWaalsContact N-CE 3.26Å |
| 501 | E | 95.1 | Very high | 95.1 | Very high | 99 Ų | 99 | 86.5 Ų | 86.5 | 46% | 0.463 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60 | -41.6 | 176.7 | -71.4 | 172.4 | -170.5 | 0 | 0 | 111.7 | Q497 E499 A504 N505 | Q497-E501 PolarHBondContact NE2-OE1 3.3Å; Q497-E501 WeakPolarHBondContact O-CG 3.26Å; Q497-E501 PolarHBondContact O-N 3.33Å; E499-E501 PolarHBondContact O-N 3.46Å; E501-A504 PolarHBondContact O-N 3.08Å; E501-N505 WeakPolarHBondContact O-CB 3.49Å; E501-N505 VanDerWaalsContact O-CG 3.28Å; E501-N505 PolarHBondContact O-N 3.4Å; E501-N505 PolarHBondContact O-ND2 3.39Å |
| 502 | T | 95.6 | Very high | 95 | Very high | 67 Ų | 67 | 83 Ų | 83 | 41% | 0.411 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 177.1 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | K498 E499 V500 N505 N506 | K498-T502 WeakPolarHBondContact O-CB 3.49Å; K498-T502 PolarHBondContact O-N 3.02Å; K498-T502 PolarHBondContact O-OG1 3.06Å; E499-T502 WeakPolarHBondContact O-CB 3.31Å; E499-T502 PolarHBondContact O-N 3.06Å; V500-T502 VanDerWaalsContact C-N 3.3Å; V500-T502 PolarHBondContact O-N 3.49Å; T502-N505 PolarHBondContact O-N 3.49Å; T502-N506 VanDerWaalsContact O-CG 3.24Å; T502-N506 PolarHBondContact O-N 2.85Å; T502-N506 PolarHBondContact O-ND2 3.31Å |
| 503 | Q | 93.7 | Very high | 94.9 | Very high | 50 Ų | 50 | 86.7 Ų | 86.7 | 23% | 0.234 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 178.3 | -177.6 | 62.4 | 9.8 | 0 | 0 | 111.9 | E499 V500 N506 A507 M651 | E499-Q503 PolarHBondContact O-N 3.35Å; V500-Q503 PolarHBondContact O-N 3.22Å; Q503-N506 PolarHBondContact O-N 3.43Å; Q503-A507 WeakPolarHBondContact O-CB 3.44Å; Q503-A507 PolarHBondContact O-N 2.91Å; Q503-M651 HydrophobicContact CB-CE 4.44Å; Q503-M651 HydrophobicContact CB-SD 3.83Å; Q503-M651 HydrophobicContact CG-SD 4Å |
| 504 | A | 93.3 | Very high | 94.8 | Very high | 57 Ų | 57 | 80 Ų | 80 | 47% | 0.471 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V500 E501 N506 A507 Y508 | V500-A504 WeakPolarHBondContact O-CB 3.28Å; V500-A504 PolarHBondContact O-N 2.97Å; E501-A504 PolarHBondContact O-N 3.08Å; A504-N506 PolarHBondContact O-N 3.35Å; A504-A507 PolarHBondContact O-N 2.92Å; A504-Y508 PolarHBondContact O-N 3.31Å |
| 505 | N | 94.7 | Very high | 94.7 | Very high | 102 Ų | 102 | 77.2 Ų | 77.2 | 55% | 0.545 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 176 | -73.6 | -27.3 | 0 | 0 | 0 | 112 | E501 T502 A507 Y508 I509 | E501-N505 WeakPolarHBondContact O-CB 3.49Å; E501-N505 VanDerWaalsContact O-CG 3.28Å; E501-N505 PolarHBondContact O-N 3.4Å; E501-N505 PolarHBondContact O-ND2 3.39Å; T502-N505 PolarHBondContact O-N 3.49Å; N505-A507 VanDerWaalsContact C-N 3.35Å; N505-A507 PolarHBondContact O-N 3.11Å; N505-Y508 PolarHBondContact O-N 2.94Å; N505-I509 VanDerWaalsContact O-CG1 3.3Å; N505-I509 WeakPolarHBondContact O-CG1 3.43Å; N505-I509 PolarHBondContact O-N 3.01Å |
| 506 | N | 94 | Very high | 94.6 | Very high | 81 Ų | 81 | 76.8 Ų | 76.8 | 43% | 0.433 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 176.2 | -72 | -21.4 | 0 | 0 | 0 | 111.9 | T502 Q503 A504 I509 E510 | T502-N506 VanDerWaalsContact O-CG 3.24Å; T502-N506 PolarHBondContact O-N 2.85Å; T502-N506 PolarHBondContact O-ND2 3.31Å; Q503-N506 PolarHBondContact O-N 3.43Å; A504-N506 PolarHBondContact O-N 3.35Å; N506-I509 PolarHBondContact O-N 3.24Å; N506-E510 WeakPolarHBondContact O-CB 3.46Å; N506-E510 WeakPolarHBondContact O-CG 3.45Å; N506-E510 PolarHBondContact O-N 3.37Å; N506-E510 VanDerWaalsContact O-N 3.08Å |
| 507 | A | 93.4 | Very high | 94.5 | Very high | 21 Ų | 21 | 82.2 Ų | 82.2 | 17% | 0.174 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q503 A504 N505 E510 L511 Q644 | Q503-A507 WeakPolarHBondContact O-CB 3.44Å; Q503-A507 PolarHBondContact O-N 2.91Å; A504-A507 PolarHBondContact O-N 2.92Å; N505-A507 VanDerWaalsContact C-N 3.35Å; N505-A507 PolarHBondContact O-N 3.11Å; A507-E510 PolarHBondContact O-N 3.15Å; A507-L511 WeakPolarHBondContact O-CG 3.47Å; A507-L511 PolarHBondContact O-N 2.92Å; A507-Q644 HydrophobicContact CB-CG 4.22Å; A507-Q644 PolarHBondContact O-NE2 3.38Å |
| 508 | Y | 94.1 | Very high | 94.5 | Very high | 156 Ų | 156 | 78.2 Ų | 78.2 | 61% | 0.612 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.1 | -50.2 | 176.4 | 179.3 | -93.1 | 0 | 0 | 0 | 111.9 | A504 N505 E510 L511 E512 | A504-Y508 PolarHBondContact O-N 3.31Å; N505-Y508 PolarHBondContact O-N 2.94Å; Y508-E510 VanDerWaalsContact C-N 3.3Å; Y508-E510 PolarHBondContact O-N 2.93Å; Y508-L511 PolarHBondContact O-N 3.29Å; Y508-E512 WeakPolarHBondContact O-CB 3.41Å; Y508-E512 PolarHBondContact O-N 3.04Å |
| 509 | I | 95.1 | Very high | 94.4 | Very high | 76 Ų | 76 | 74.1 Ų | 74.1 | 39% | 0.39 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.7 | -42.6 | 179.6 | -69.9 | 166.1 | 0 | 0 | 0 | 111.2 | N505 N506 E512 K513 | N505-I509 VanDerWaalsContact O-CG1 3.3Å; N505-I509 WeakPolarHBondContact O-CG1 3.43Å; N505-I509 PolarHBondContact O-N 3.01Å; N506-I509 PolarHBondContact O-N 3.24Å; I509-E512 PolarHBondContact O-N 2.86Å; I509-K513 HydrophobicContact CG2-CD 4.28Å; I509-K513 VanDerWaalsContact O-CG 3.29Å; I509-K513 WeakPolarHBondContact O-CG 3.38Å; I509-K513 PolarHBondContact O-N 2.86Å |
| 510 | E | 93.3 | Very high | 94.4 | Very high | 63 Ų | 63 | 75 Ų | 75 | 29% | 0.294 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.4 | -38.1 | -179.3 | -76.7 | -67.9 | 117.2 | 0 | 0 | 113.1 | N506 A507 Y508 K513 L514 K640 | N506-E510 WeakPolarHBondContact O-CB 3.46Å; N506-E510 WeakPolarHBondContact O-CG 3.45Å; N506-E510 PolarHBondContact O-N 3.37Å; N506-E510 VanDerWaalsContact O-N 3.08Å; A507-E510 PolarHBondContact O-N 3.15Å; Y508-E510 VanDerWaalsContact C-N 3.3Å; Y508-E510 PolarHBondContact O-N 2.93Å; E510-K513 IonicContact OE1-NZ 3.06Å; E510-K513 PolarHBondContact OE1-NZ 2.94Å; E510-L514 PolarHBondContact O-N 3.31Å; E510-L514 VanDerWaalsContact O-N 3.09Å; E510-K640 IonicContact OE2-NZ 3.59Å; E510-K640 PolarHBondContact OE2-NZ 2.89Å |
| 511 | L | 92.2 | Very high | 94.3 | Very high | 61 Ų | 61 | 75.8 Ų | 75.8 | 32% | 0.319 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68 | -40.9 | 174.1 | -72.1 | 175 | 0 | 0 | 0 | 111.5 | A507 Y508 K513 L514 A515 K640 Q644 | A507-L511 WeakPolarHBondContact O-CG 3.47Å; A507-L511 PolarHBondContact O-N 2.92Å; Y508-L511 PolarHBondContact O-N 3.29Å; L511-K513 PolarHBondContact O-N 3.24Å; L511-L514 WeakPolarHBondContact O-CB 3.2Å; L511-L514 PolarHBondContact O-N 3.41Å; L511-A515 PolarHBondContact O-N 3.38Å; L511-K640 HydrophobicContact CD2-CG 4.19Å; L511-Q644 VanDerWaalsContact CD1-OE1 3.31Å |
| 512 | E | 94.7 | Very high | 94.1 | Very high | 74 Ų | 74 | 73.7 Ų | 73.7 | 35% | 0.346 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 177.8 | -167.2 | -171.3 | 166 | 0 | 0 | 111.5 | Y508 I509 L514 A515 K516 | Y508-E512 WeakPolarHBondContact O-CB 3.41Å; Y508-E512 PolarHBondContact O-N 3.04Å; I509-E512 PolarHBondContact O-N 2.86Å; E512-L514 VanDerWaalsContact C-N 3.33Å; E512-L514 PolarHBondContact O-N 3.39Å; E512-A515 PolarHBondContact O-N 2.96Å; E512-K516 WeakPolarHBondContact O-CG 3.38Å; E512-K516 PolarHBondContact O-N 3.5Å; E512-K516 WeakPolarHBondContact OE1-CE 3.24Å; E512-K516 IonicContact OE1-NZ 3.8Å; E512-K516 PolarHBondContact OE1-NZ 2.98Å |
| 513 | K | 95.4 | Very high | 94 | Very high | 105 Ų | 105 | 75.1 Ų | 75.1 | 46% | 0.457 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 173.3 | -74.8 | 174.4 | -169.8 | 166 | 0 | 112 | I509 E510 L511 R517 | I509-K513 HydrophobicContact CG2-CD 4.28Å; I509-K513 VanDerWaalsContact O-CG 3.29Å; I509-K513 WeakPolarHBondContact O-CG 3.38Å; I509-K513 PolarHBondContact O-N 2.86Å; E510-K513 IonicContact OE1-NZ 3.06Å; E510-K513 PolarHBondContact OE1-NZ 2.94Å; L511-K513 PolarHBondContact O-N 3.24Å; K513-R517 WeakPolarHBondContact O-CG 3.4Å; K513-R517 PolarHBondContact O-N 3.15Å |
| 514 | L | 94.6 | Very high | 94 | Very high | 4 Ų | 4 | 78.7 Ų | 78.7 | 2% | 0.021 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.7 | -48.2 | 177.7 | -178.4 | 65.4 | 0 | 0 | 0 | 111.1 | E510 L511 E512 K516 R517 H518 E636 E637 K640 | E510-L514 PolarHBondContact O-N 3.31Å; E510-L514 VanDerWaalsContact O-N 3.09Å; L511-L514 WeakPolarHBondContact O-CB 3.2Å; L511-L514 PolarHBondContact O-N 3.41Å; E512-L514 VanDerWaalsContact C-N 3.33Å; E512-L514 PolarHBondContact O-N 3.39Å; L514-K516 VanDerWaalsContact C-N 3.32Å; L514-K516 PolarHBondContact O-N 3.15Å; L514-R517 WeakPolarHBondContact O-CB 3.32Å; L514-R517 PolarHBondContact O-N 2.97Å; L514-R517 VanDerWaalsContact O-N 3.1Å; L514-H518 PolarHBondContact O-N 2.91Å; L514-E636 VanDerWaalsContact CD1-CD 3.49Å; L514-E636 HydrophobicContact CD1-CG 4.02Å; L514-E636 WeakPolarHBondContact CD1-OE1 3.44Å; L514-E637 HydrophobicContact CD2-CB 4.43Å; L514-K640 HydrophobicContact CD2-CB 3.86Å; L514-K640 HydrophobicContact CD2-CG 4.14Å |
| 515 | A | 93.8 | Very high | 93.9 | Very high | 59 Ų | 59 | 78.3 Ų | 78.3 | 49% | 0.488 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.6 | -42.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L511 E512 H518 A519 | L511-A515 PolarHBondContact O-N 3.38Å; E512-A515 PolarHBondContact O-N 2.96Å; A515-H518 PolarHBondContact O-N 3.49Å; A515-A519 WeakPolarHBondContact O-CB 3.43Å; A515-A519 PolarHBondContact O-N 2.89Å |
| 516 | K | 95.3 | Very high | 93.7 | Very high | 123 Ų | 123 | 79.2 Ų | 79.2 | 54% | 0.535 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 174.5 | -74 | 174.6 | -175.6 | 168 | 0 | 112.1 | E512 L514 A519 V520 | E512-K516 WeakPolarHBondContact O-CG 3.38Å; E512-K516 PolarHBondContact O-N 3.5Å; E512-K516 WeakPolarHBondContact OE1-CE 3.24Å; E512-K516 IonicContact OE1-NZ 3.8Å; E512-K516 PolarHBondContact OE1-NZ 2.98Å; L514-K516 VanDerWaalsContact C-N 3.32Å; L514-K516 PolarHBondContact O-N 3.15Å; K516-A519 PolarHBondContact O-N 3.5Å; K516-V520 WeakPolarHBondContact O-CG2 3.43Å; K516-V520 PolarHBondContact O-N 3.35Å; K516-V520 VanDerWaalsContact O-N 3.08Å |
| 517 | R | 95.2 | Very high | 93.6 | Very high | 138 Ų | 138 | 81.4 Ų | 81.4 | 52% | 0.521 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 175.9 | -76.2 | -171 | -67.1 | 144.5 | 1 | 111.7 | K513 L514 V520 Q521 E636 | K513-R517 WeakPolarHBondContact O-CG 3.4Å; K513-R517 PolarHBondContact O-N 3.15Å; L514-R517 WeakPolarHBondContact O-CB 3.32Å; L514-R517 PolarHBondContact O-N 2.97Å; L514-R517 VanDerWaalsContact O-N 3.1Å; R517-V520 PolarHBondContact O-N 3.17Å; R517-Q521 WeakPolarHBondContact O-CB 3.47Å; R517-Q521 PolarHBondContact O-N 3.39Å; R517-E636 IonicContact NH1-OE1 2.7Å; R517-E636 IonicContact NH2-OE1 2.95Å |
| 518 | H | 95 | Very high | 93.5 | Very high | 24 Ų | 24 | 82.8 Ų | 82.8 | 11% | 0.111 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 176.4 | -69.5 | 175.7 | 0 | 0 | 0 | 111.9 | L514 A515 V520 Q521 T522 Q633 E636 | L514-H518 PolarHBondContact O-N 2.91Å; A515-H518 PolarHBondContact O-N 3.49Å; H518-V520 PolarHBondContact O-N 3.18Å; H518-Q521 PolarHBondContact O-N 2.95Å; H518-T522 WeakPolarHBondContact O-CB 3.38Å; H518-T522 PolarHBondContact O-N 3.3Å; H518-T522 PolarHBondContact O-OG1 3.36Å; H518-Q633 HydrophobicContact CB-CG 4.35Å; H518-Q633 PolarHBondContact CE1-O 2.88Å; H518-Q633 VanDerWaalsContact CE1-O 3.24Å; H518-E636 IonicContact CD2-OE2 2.64Å; H518-E636 IonicContact CE1-OE2 2.99Å; H518-E636 IonicContact NE2-OE2 3.87Å; H518-E636 PolarHBondContact NE2-OE2 3.41Å |
| 519 | A | 93.9 | Very high | 93.3 | Very high | 60 Ų | 60 | 76.4 Ų | 76.4 | 50% | 0.496 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A515 K516 T522 E523 | A515-A519 WeakPolarHBondContact O-CB 3.43Å; A515-A519 PolarHBondContact O-N 2.89Å; K516-A519 PolarHBondContact O-N 3.5Å; A519-T522 PolarHBondContact O-N 3.43Å; A519-E523 PolarHBondContact O-N 3.46Å |
| 520 | V | 95 | Very high | 93.1 | Very high | 95 Ų | 95 | 76.1 Ų | 76.1 | 58% | 0.576 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.4 | -42.4 | 177.4 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | K516 R517 H518 E523 K524 | K516-V520 WeakPolarHBondContact O-CG2 3.43Å; K516-V520 PolarHBondContact O-N 3.35Å; K516-V520 VanDerWaalsContact O-N 3.08Å; R517-V520 PolarHBondContact O-N 3.17Å; H518-V520 PolarHBondContact O-N 3.18Å; V520-E523 PolarHBondContact O-N 3.43Å; V520-K524 WeakPolarHBondContact O-CB 3.35Å; V520-K524 PolarHBondContact O-N 3.13Å |
| 521 | Q | 92.8 | Very high | 93 | Very high | 76 Ų | 76 | 75.1 Ų | 75.1 | 36% | 0.355 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 179.1 | -176.7 | 59.2 | 22.6 | 0 | 0 | 111.6 | R517 H518 K524 E525 M629 | R517-Q521 WeakPolarHBondContact O-CB 3.47Å; R517-Q521 PolarHBondContact O-N 3.39Å; H518-Q521 PolarHBondContact O-N 2.95Å; Q521-K524 PolarHBondContact O-N 2.73Å; Q521-E525 PolarHBondContact NE2-OE1 3.32Å; Q521-E525 PolarHBondContact O-N 3.28Å; Q521-M629 HydrophobicContact CG-SD 4.35Å |
| 522 | T | 91.4 | Very high | 92.9 | Very high | 56 Ų | 56 | 75.2 Ų | 75.2 | 34% | 0.344 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 176.8 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | H518 A519 K524 M526 M629 Q633 | H518-T522 WeakPolarHBondContact O-CB 3.38Å; H518-T522 PolarHBondContact O-N 3.3Å; H518-T522 PolarHBondContact O-OG1 3.36Å; A519-T522 PolarHBondContact O-N 3.43Å; T522-K524 VanDerWaalsContact C-N 3.34Å; T522-K524 PolarHBondContact O-N 3.02Å; T522-M526 WeakPolarHBondContact O-CB 3.38Å; T522-M526 PolarHBondContact O-N 2.8Å; T522-M629 HydrophobicContact CG2-CE 4.08Å; T522-Q633 PolarHBondContact OG1-NE2 2.94Å; T522-Q633 PolarHBondContact OG1-OE1 3.35Å |
| 523 | E | 93.1 | Very high | 92.7 | Very high | 96 Ų | 96 | 73.9 Ų | 73.9 | 45% | 0.449 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 175.8 | -168.3 | -171.4 | 165.2 | 0 | 0 | 111.8 | A519 V520 M526 K527 | A519-E523 PolarHBondContact O-N 3.46Å; V520-E523 PolarHBondContact O-N 3.43Å; E523-M526 PolarHBondContact O-N 3.42Å; E523-K527 WeakPolarHBondContact O-CG 3.48Å; E523-K527 PolarHBondContact O-N 2.95Å; E523-K527 WeakPolarHBondContact OE1-CE 3.37Å; E523-K527 IonicContact OE1-NZ 3.89Å; E523-K527 PolarHBondContact OE1-NZ 3.34Å |
| 524 | K | 93.3 | Very high | 92.5 | Very high | 125 Ų | 125 | 74.9 Ų | 74.9 | 54% | 0.543 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.9 | -50 | 177.7 | -175.7 | -175.6 | 176.4 | -172 | 0 | 111.6 | V520 Q521 T522 M526 K527 T528 | V520-K524 WeakPolarHBondContact O-CB 3.35Å; V520-K524 PolarHBondContact O-N 3.13Å; Q521-K524 PolarHBondContact O-N 2.73Å; T522-K524 VanDerWaalsContact C-N 3.34Å; T522-K524 PolarHBondContact O-N 3.02Å; K524-M526 VanDerWaalsContact C-N 3.32Å; K524-M526 PolarHBondContact O-N 2.91Å; K524-K527 PolarHBondContact O-N 3.02Å; K524-T528 PolarHBondContact O-N 2.77Å; K524-T528 PolarHBondContact O-OG1 3.34Å |
| 525 | E | 91 | Very high | 92.3 | Very high | 50 Ų | 50 | 81 Ų | 81 | 23% | 0.234 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.4 | -37.8 | 178.3 | -74 | -63.4 | 141.6 | 0 | 0 | 111.9 | Q521 K527 T528 A529 K625 M629 | Q521-E525 PolarHBondContact NE2-OE1 3.32Å; Q521-E525 PolarHBondContact O-N 3.28Å; E525-K527 PolarHBondContact O-N 3Å; E525-T528 PolarHBondContact O-N 2.94Å; E525-A529 WeakPolarHBondContact O-CB 3.37Å; E525-A529 PolarHBondContact O-N 2.82Å; E525-K625 IonicContact OE2-NZ 3.82Å; E525-K625 PolarHBondContact OE2-NZ 2.83Å; E525-M629 HydrophobicContact CB-SD 4Å; E525-M629 HydrophobicContact CG-SD 3.68Å |
| 526 | M | 90.5 | Very high | 92 | Very high | 121 Ų | 121 | 79.9 Ų | 79.9 | 60% | 0.596 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.6 | -45.1 | 174.8 | -174.6 | 176.9 | 72.8 | 0 | 0 | 111.9 | T522 E523 K524 A529 V530 | T522-M526 WeakPolarHBondContact O-CB 3.38Å; T522-M526 PolarHBondContact O-N 2.8Å; E523-M526 PolarHBondContact O-N 3.42Å; K524-M526 VanDerWaalsContact C-N 3.32Å; K524-M526 PolarHBondContact O-N 2.91Å; M526-A529 PolarHBondContact O-N 3.26Å; M526-V530 WeakPolarHBondContact O-CG2 3.42Å; M526-V530 PolarHBondContact O-N 2.93Å; M526-V530 VanDerWaalsContact O-N 3.13Å |
| 527 | K | 93.2 | Very high | 91.8 | Very high | 126 Ų | 126 | 76.4 Ų | 76.4 | 55% | 0.548 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 176.5 | -73.1 | 175.3 | -175 | 168.7 | 0 | 111.8 | E523 K524 E525 V530 A531 | E523-K527 WeakPolarHBondContact O-CG 3.48Å; E523-K527 PolarHBondContact O-N 2.95Å; E523-K527 WeakPolarHBondContact OE1-CE 3.37Å; E523-K527 IonicContact OE1-NZ 3.89Å; E523-K527 PolarHBondContact OE1-NZ 3.34Å; K524-K527 PolarHBondContact O-N 3.02Å; E525-K527 PolarHBondContact O-N 3Å; K527-V530 PolarHBondContact O-N 2.86Å; K527-A531 PolarHBondContact O-N 2.92Å |
| 528 | T | 91.3 | Very high | 91.5 | Very high | 50 Ų | 50 | 76.3 Ų | 76.3 | 31% | 0.307 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 177 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | K524 E525 V530 A531 D532 | K524-T528 PolarHBondContact O-N 2.77Å; K524-T528 PolarHBondContact O-OG1 3.34Å; E525-T528 PolarHBondContact O-N 2.94Å; T528-V530 PolarHBondContact O-N 2.85Å; T528-A531 WeakPolarHBondContact O-CB 3.28Å; T528-A531 PolarHBondContact O-N 2.78Å; T528-A531 VanDerWaalsContact O-N 3.12Å; T528-D532 PolarHBondContact O-N 2.95Å |
| 529 | A | 90.3 | Very high | 91.3 | Very high | 23 Ų | 23 | 81.6 Ų | 81.6 | 19% | 0.19 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E525 M526 D532 E533 V622 | E525-A529 WeakPolarHBondContact O-CB 3.37Å; E525-A529 PolarHBondContact O-N 2.82Å; M526-A529 PolarHBondContact O-N 3.26Å; A529-D532 PolarHBondContact O-N 3.13Å; A529-E533 WeakPolarHBondContact O-CB 3.38Å; A529-E533 PolarHBondContact O-N 3.07Å; A529-V622 HydrophobicContact CB-CG1 3.7Å; A529-V622 HydrophobicContact CB-CG2 4.49Å |
| 530 | V | 90.9 | Very high | 91.1 | Very high | 69 Ų | 69 | 79.4 Ų | 79.4 | 42% | 0.418 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 175.8 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | M526 K527 T528 K534 | M526-V530 WeakPolarHBondContact O-CG2 3.42Å; M526-V530 PolarHBondContact O-N 2.93Å; M526-V530 VanDerWaalsContact O-N 3.13Å; K527-V530 PolarHBondContact O-N 2.86Å; T528-V530 PolarHBondContact O-N 2.85Å; V530-K534 WeakPolarHBondContact O-CG 3.5Å; V530-K534 PolarHBondContact O-N 2.72Å |
| 531 | A | 91.4 | Very high | 90.9 | Very high | 43 Ų | 43 | 78.3 Ų | 78.3 | 36% | 0.355 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.2 | -43.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K527 T528 K534 K535 | K527-A531 PolarHBondContact O-N 2.92Å; T528-A531 WeakPolarHBondContact O-CB 3.28Å; T528-A531 PolarHBondContact O-N 2.78Å; T528-A531 VanDerWaalsContact O-N 3.12Å; A531-K534 PolarHBondContact O-N 2.74Å; A531-K535 WeakPolarHBondContact O-CG 3.48Å; A531-K535 PolarHBondContact O-N 2.7Å; A531-K535 VanDerWaalsContact O-N 3.08Å |
| 532 | D | 89.8 | Confident | 90.7 | Very high | 62 Ų | 62 | 77.6 Ų | 77.6 | 33% | 0.332 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.3 | -36.4 | 178.5 | -67.6 | -19.2 | 0 | 0 | 0 | 111.6 | T528 A529 K534 K535 F536 F618 | T528-D532 PolarHBondContact O-N 2.95Å; A529-D532 PolarHBondContact O-N 3.13Å; D532-K534 VanDerWaalsContact C-N 3.33Å; D532-K534 PolarHBondContact O-N 2.82Å; D532-K535 PolarHBondContact O-N 3.03Å; D532-K535 IonicContact OD1-NZ 3.76Å; D532-F536 VanDerWaalsContact O-CB 3.31Å; D532-F536 WeakPolarHBondContact O-CB 3.42Å; D532-F536 PolarHBondContact O-N 3.22Å; D532-F618 HydrophobicContact CB-CZ 3.97Å |
| 533 | E | 89.5 | Confident | 90.6 | Very high | 47 Ų | 47 | 79.2 Ų | 79.2 | 22% | 0.22 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58 | -46.1 | 172.1 | -171 | 179.3 | -178.5 | 0 | 0 | 111.2 | A529 F536 Q537 F618 K619 | A529-E533 WeakPolarHBondContact O-CB 3.38Å; A529-E533 PolarHBondContact O-N 3.07Å; E533-F536 PolarHBondContact O-N 2.94Å; E533-Q537 WeakPolarHBondContact O-CB 3.47Å; E533-Q537 VanDerWaalsContact O-CG 3.27Å; E533-Q537 WeakPolarHBondContact O-CG 3.49Å; E533-Q537 PolarHBondContact O-N 3.42Å; E533-Q537 PolarHBondContact OE1-NE2 3.48Å; E533-F618 VanDerWaalsContact CA-CE1 3.44Å; E533-F618 HydrophobicContact CB-CD1 4.21Å; E533-F618 HydrophobicContact CB-CE1 3.68Å; E533-F618 HydrophobicContact CG-CD1 4.14Å; E533-F618 HydrophobicContact CG-CE1 4.13Å; E533-K619 WeakPolarHBondContact OE1-CE 3.4Å; E533-K619 IonicContact OE1-NZ 3.9Å |
| 534 | K | 90.9 | Very high | 90.4 | Very high | 125 Ų | 125 | 75.7 Ų | 75.7 | 54% | 0.543 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 177.7 | -73.8 | 178.1 | -179 | -178.9 | 0 | 112.3 | V530 A531 D532 Q537 Q538 | V530-K534 WeakPolarHBondContact O-CG 3.5Å; V530-K534 PolarHBondContact O-N 2.72Å; A531-K534 PolarHBondContact O-N 2.74Å; D532-K534 VanDerWaalsContact C-N 3.33Å; D532-K534 PolarHBondContact O-N 2.82Å; K534-Q537 PolarHBondContact O-N 3.07Å; K534-Q538 WeakPolarHBondContact O-CB 3.48Å; K534-Q538 VanDerWaalsContact O-CG 3.31Å; K534-Q538 WeakPolarHBondContact O-CG 3.45Å; K534-Q538 PolarHBondContact O-N 2.71Å |
| 535 | K | 90.2 | Very high | 90.3 | Very high | 132 Ų | 132 | 76.9 Ų | 76.9 | 57% | 0.574 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.4 | -45.5 | 177 | -72.5 | 175 | -175 | 168.1 | 0 | 111.3 | A531 D532 Q538 Q539 | A531-K535 WeakPolarHBondContact O-CG 3.48Å; A531-K535 PolarHBondContact O-N 2.7Å; A531-K535 VanDerWaalsContact O-N 3.08Å; D532-K535 PolarHBondContact O-N 3.03Å; D532-K535 IonicContact OD1-NZ 3.76Å; K535-Q538 PolarHBondContact O-N 2.8Å; K535-Q539 PolarHBondContact O-N 2.94Å |
| 536 | F | 88.8 | Confident | 90.2 | Very high | 36 Ų | 36 | 81 Ų | 81 | 16% | 0.158 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 178.6 | -176.1 | -106.6 | 0 | 0 | 0 | 111.7 | D532 E533 Q538 Q539 I540 N614 F618 F895 | D532-F536 VanDerWaalsContact O-CB 3.31Å; D532-F536 WeakPolarHBondContact O-CB 3.42Å; D532-F536 PolarHBondContact O-N 3.22Å; E533-F536 PolarHBondContact O-N 2.94Å; F536-Q538 PolarHBondContact O-N 2.87Å; F536-Q539 PolarHBondContact O-N 3.47Å; F536-I540 HydrophobicContact CD1-CD1 3.91Å; F536-I540 HydrophobicContact CE1-CD1 3.43Å; F536-I540 VanDerWaalsContact CE1-CD1 3.43Å; F536-I540 HydrophobicContact CE1-CG1 4.48Å; F536-I540 HydrophobicContact CE2-CD1 4.42Å; F536-I540 HydrophobicContact CZ-CD1 3.73Å; F536-I540 HydrophobicContact CZ-CG1 4.48Å; F536-I540 WeakPolarHBondContact O-CG1 3.05Å; F536-I540 PolarHBondContact O-N 2.58Å; F536-I540 VanDerWaalsContact O-N 3.09Å; F536-N614 HydrophobicContact CE1-CB 4.07Å; F536-N614 HydrophobicContact CZ-CB 4.1Å; F536-F618 HydrophobicContact CB-CD2 4.31Å; F536-F618 HydrophobicContact CB-CE2 4.25Å; F536-F618 HydrophobicContact CD1-CB 3.89Å; F536-F618 AromaticContact CD1-CD2 3.91Å; F536-F618 HydrophobicContact CD1-CD2 3.91Å; F536-F618 AromaticContact CD1-CG 3.88Å; F536-F618 HydrophobicContact CD1-CG 3.88Å; F536-F618 HydrophobicContact CD2-CD2 4.24Å; F536-F618 HydrophobicContact CE1-CB 3.75Å; F536-F618 HydrophobicContact CE1-CD2 4.25Å; F536-F618 HydrophobicContact CE1-CG 4.2Å; F536-F618 AromaticContact CG-CD2 3.89Å; F536-F618 HydrophobicContact CG-CD2 3.89Å; F536-F618 HydrophobicContact CG-CE2 4.28Å; F536-F618 HydrophobicContact CG-CG 4.3Å; F536-F618 HydrophobicContact CZ-CB 4.47Å; F536-F895 HydrophobicContact CZ-CE1 4.23Å |
| 537 | Q | 89.6 | Confident | 90.1 | Very high | 51 Ų | 51 | 79 Ų | 79 | 24% | 0.238 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 174.3 | -73.2 | 174.8 | 3.2 | 0 | 0 | 112.1 | E533 K534 Q539 I540 V541 Y611 | E533-Q537 WeakPolarHBondContact O-CB 3.47Å; E533-Q537 VanDerWaalsContact O-CG 3.27Å; E533-Q537 WeakPolarHBondContact O-CG 3.49Å; E533-Q537 PolarHBondContact O-N 3.42Å; E533-Q537 PolarHBondContact OE1-NE2 3.48Å; K534-Q537 PolarHBondContact O-N 3.07Å; Q537-Q539 VanDerWaalsContact C-N 3.34Å; Q537-Q539 PolarHBondContact O-N 3.13Å; Q537-I540 PolarHBondContact O-N 3.16Å; Q537-V541 WeakPolarHBondContact O-CG2 3.28Å; Q537-V541 PolarHBondContact O-N 3.21Å; Q537-Y611 HydrophobicContact CB-CE2 4.19Å; Q537-Y611 HydrophobicContact CG-CE2 4.22Å; Q537-Y611 WeakPolarHBondContact CG-OH 3.29Å |
| 538 | Q | 90.7 | Very high | 89.9 | Confident | 135 Ų | 135 | 74.9 Ų | 74.9 | 63% | 0.631 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.5 | -39.8 | 177.1 | -75.7 | 175.6 | 3 | 0 | 0 | 112.3 | K534 K535 F536 V541 A542 | K534-Q538 WeakPolarHBondContact O-CB 3.48Å; K534-Q538 VanDerWaalsContact O-CG 3.31Å; K534-Q538 WeakPolarHBondContact O-CG 3.45Å; K534-Q538 PolarHBondContact O-N 2.71Å; K535-Q538 PolarHBondContact O-N 2.8Å; F536-Q538 PolarHBondContact O-N 2.87Å; Q538-V541 PolarHBondContact O-N 3.49Å; Q538-A542 VanDerWaalsContact O-CB 3.29Å; Q538-A542 WeakPolarHBondContact O-CB 3.36Å; Q538-A542 PolarHBondContact O-N 2.91Å |
| 539 | Q | 90.5 | Very high | 89.8 | Confident | 135 Ų | 135 | 75.9 Ų | 75.9 | 63% | 0.631 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.6 | -44.4 | 178.1 | -172.7 | 178.4 | 3.6 | 0 | 0 | 111.8 | K535 F536 Q537 A542 Q543 | K535-Q539 PolarHBondContact O-N 2.94Å; F536-Q539 PolarHBondContact O-N 3.47Å; Q537-Q539 VanDerWaalsContact C-N 3.34Å; Q537-Q539 PolarHBondContact O-N 3.13Å; Q539-A542 PolarHBondContact O-N 3.32Å; Q539-Q543 WeakPolarHBondContact O-CB 3.37Å; Q539-Q543 PolarHBondContact O-N 3.04Å |
| 540 | I | 89.3 | Confident | 89.7 | Confident | 14 Ų | 14 | 78.1 Ų | 78.1 | 7% | 0.072 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 176.1 | -63.7 | 170.6 | 0 | 0 | 0 | 110.5 | F536 Q537 A542 Q543 Q544 F610 Y611 N614 | F536-I540 HydrophobicContact CD1-CD1 3.91Å; F536-I540 HydrophobicContact CE1-CD1 3.43Å; F536-I540 VanDerWaalsContact CE1-CD1 3.43Å; F536-I540 HydrophobicContact CE1-CG1 4.48Å; F536-I540 HydrophobicContact CE2-CD1 4.42Å; F536-I540 HydrophobicContact CZ-CD1 3.73Å; F536-I540 HydrophobicContact CZ-CG1 4.48Å; F536-I540 WeakPolarHBondContact O-CG1 3.05Å; F536-I540 PolarHBondContact O-N 2.58Å; F536-I540 VanDerWaalsContact O-N 3.09Å; Q537-I540 PolarHBondContact O-N 3.16Å; I540-A542 VanDerWaalsContact C-N 3.33Å; I540-A542 PolarHBondContact O-N 3.42Å; I540-Q543 PolarHBondContact O-N 3.47Å; I540-Q544 HydrophobicContact CG2-CG 4.22Å; I540-Q544 WeakPolarHBondContact O-CB 3.17Å; I540-Q544 VanDerWaalsContact O-CG 3.28Å; I540-Q544 WeakPolarHBondContact O-CG 3.44Å; I540-Q544 PolarHBondContact O-N 2.84Å; I540-F610 HydrophobicContact CG2-CD1 4.16Å; I540-F610 HydrophobicContact CG2-CE1 4.15Å; I540-Y611 HydrophobicContact CB-CD2 4.12Å; I540-Y611 HydrophobicContact CG2-CD2 3.71Å; I540-Y611 HydrophobicContact CG2-CG 4.49Å; I540-N614 HydrophobicContact CD1-CB 3.67Å |
| 541 | V | 89.9 | Confident | 89.5 | Confident | 73 Ų | 73 | 77.4 Ų | 77.4 | 44% | 0.442 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.8 | -40 | 179.7 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | Q537 Q538 Q544 K545 Y611 | Q537-V541 WeakPolarHBondContact O-CG2 3.28Å; Q537-V541 PolarHBondContact O-N 3.21Å; Q538-V541 PolarHBondContact O-N 3.49Å; V541-Q544 PolarHBondContact O-N 3.03Å; V541-K545 WeakPolarHBondContact O-CB 3.48Å; V541-K545 PolarHBondContact O-N 3.36Å; V541-Y611 HydrophobicContact CG2-CD2 4.27Å; V541-Y611 HydrophobicContact CG2-CE2 3.91Å |
| 542 | A | 89.9 | Confident | 89.3 | Confident | 60 Ų | 60 | 77.7 Ų | 77.7 | 50% | 0.496 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q538 Q539 I540 K545 K546 | Q538-A542 VanDerWaalsContact O-CB 3.29Å; Q538-A542 WeakPolarHBondContact O-CB 3.36Å; Q538-A542 PolarHBondContact O-N 2.91Å; Q539-A542 PolarHBondContact O-N 3.32Å; I540-A542 VanDerWaalsContact C-N 3.33Å; I540-A542 PolarHBondContact O-N 3.42Å; A542-K545 PolarHBondContact O-N 3Å; A542-K546 PolarHBondContact O-N 3.31Å |
| 543 | Q | 88.4 | Confident | 89.1 | Confident | 90 Ų | 90 | 78.3 Ų | 78.3 | 42% | 0.421 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64 | -46.3 | 175.8 | -179.6 | 60.7 | 22.3 | 0 | 0 | 111.5 | Q539 I540 K545 K546 E547 | Q539-Q543 WeakPolarHBondContact O-CB 3.37Å; Q539-Q543 PolarHBondContact O-N 3.04Å; I540-Q543 PolarHBondContact O-N 3.47Å; Q543-K545 VanDerWaalsContact C-N 3.33Å; Q543-K545 PolarHBondContact O-N 3.02Å; Q543-K546 WeakPolarHBondContact O-CB 3.35Å; Q543-K546 PolarHBondContact O-N 3.48Å; Q543-K546 VanDerWaalsContact O-N 3.14Å; Q543-E547 WeakPolarHBondContact CG-OE1 3.49Å; Q543-E547 PolarHBondContact NE2-OE1 3.34Å; Q543-E547 WeakPolarHBondContact O-CG 3.47Å; Q543-E547 PolarHBondContact O-N 3.46Å |
| 544 | Q | 89.8 | Confident | 88.8 | Confident | 23 Ų | 23 | 80 Ų | 80 | 11% | 0.107 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 176.8 | -74 | 178 | -13.1 | 0 | 0 | 112.4 | I540 V541 E547 L548 Q607 | I540-Q544 HydrophobicContact CG2-CG 4.22Å; I540-Q544 WeakPolarHBondContact O-CB 3.17Å; I540-Q544 VanDerWaalsContact O-CG 3.28Å; I540-Q544 WeakPolarHBondContact O-CG 3.44Å; I540-Q544 PolarHBondContact O-N 2.84Å; V541-Q544 PolarHBondContact O-N 3.03Å; Q544-E547 PolarHBondContact O-N 3.43Å; Q544-L548 VanDerWaalsContact O-CB 3.29Å; Q544-L548 WeakPolarHBondContact O-CB 3.13Å; Q544-L548 PolarHBondContact O-N 2.88Å; Q544-Q607 HydrophobicContact CB-CG 4.38Å; Q544-Q607 HydrophobicContact CG-CB 4.08Å; Q544-Q607 HydrophobicContact CG-CG 3.92Å; Q544-Q607 PolarHBondContact NE2-O 3.36Å; Q544-Q607 PolarHBondContact O-NE2 3.17Å |
| 545 | K | 89.9 | Confident | 88.5 | Confident | 150 Ų | 150 | 75.3 Ų | 75.3 | 65% | 0.652 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.8 | -41.5 | 175 | -173.8 | 179.6 | -179.8 | -178.9 | 0 | 111.7 | V541 A542 Q543 T549 | V541-K545 WeakPolarHBondContact O-CB 3.48Å; V541-K545 PolarHBondContact O-N 3.36Å; A542-K545 PolarHBondContact O-N 3Å; Q543-K545 VanDerWaalsContact C-N 3.33Å; Q543-K545 PolarHBondContact O-N 3.02Å; K545-T549 WeakPolarHBondContact O-CB 3.26Å; K545-T549 PolarHBondContact O-N 3.24Å; K545-T549 PolarHBondContact O-OG1 2.97Å |
| 546 | K | 90.6 | Very high | 88.1 | Confident | 136 Ų | 136 | 75.1 Ų | 75.1 | 59% | 0.591 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.4 | -44.8 | 176.8 | -175.9 | -177 | 177.2 | -175.3 | 0 | 111.4 | A542 Q543 T549 T550 | A542-K546 PolarHBondContact O-N 3.31Å; Q543-K546 WeakPolarHBondContact O-CB 3.35Å; Q543-K546 PolarHBondContact O-N 3.48Å; Q543-K546 VanDerWaalsContact O-N 3.14Å; K546-T549 PolarHBondContact O-N 2.87Å; K546-T550 WeakPolarHBondContact O-CB 3.49Å; K546-T550 PolarHBondContact O-N 3.16Å; K546-T550 PolarHBondContact O-OG1 2.87Å |
| 547 | E | 87.3 | Confident | 87.8 | Confident | 79 Ų | 79 | 79.6 Ų | 79.6 | 37% | 0.369 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 175.9 | -74.1 | 169.2 | -170.8 | 0 | 0 | 111.9 | Q543 Q544 T549 T550 F551 Q607 | Q543-E547 WeakPolarHBondContact CG-OE1 3.49Å; Q543-E547 PolarHBondContact NE2-OE1 3.34Å; Q543-E547 WeakPolarHBondContact O-CG 3.47Å; Q543-E547 PolarHBondContact O-N 3.46Å; Q544-E547 PolarHBondContact O-N 3.43Å; E547-T549 VanDerWaalsContact C-N 3.34Å; E547-T549 PolarHBondContact O-N 3.21Å; E547-T550 PolarHBondContact O-N 3.1Å; E547-F551 VanDerWaalsContact O-CB 3.3Å; E547-F551 WeakPolarHBondContact O-CB 3.41Å; E547-F551 PolarHBondContact O-N 2.87Å; E547-Q607 PolarHBondContact OE2-NE2 2.7Å |
| 548 | L | 88.8 | Confident | 87.2 | Confident | 39 Ų | 39 | 82.6 Ų | 82.6 | 20% | 0.204 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 177.3 | -177.7 | 64.4 | 0 | 0 | 0 | 111.3 | Q544 T550 F551 L552 E600 L603 L604 | Q544-L548 VanDerWaalsContact O-CB 3.29Å; Q544-L548 WeakPolarHBondContact O-CB 3.13Å; Q544-L548 PolarHBondContact O-N 2.88Å; L548-T550 PolarHBondContact O-N 2.98Å; L548-F551 PolarHBondContact O-N 2.98Å; L548-L552 HydrophobicContact CD1-CD1 4.42Å; L548-L552 HydrophobicContact CD1-CG 4.41Å; L548-L552 HydrophobicContact CG-CD1 4.16Å; L548-L552 WeakPolarHBondContact O-CB 3.32Å; L548-L552 VanDerWaalsContact O-CG 3.27Å; L548-L552 WeakPolarHBondContact O-CG 3.08Å; L548-L552 PolarHBondContact O-N 3.36Å; L548-E600 HydrophobicContact CD1-CG 4.46Å; L548-L603 HydrophobicContact CD1-CD2 4.13Å; L548-L604 HydrophobicContact CD1-CD2 4.07Å; L548-L604 HydrophobicContact CD2-CD2 4.05Å |
| 549 | T | 88.7 | Confident | 86.7 | Confident | 71 Ų | 71 | 78.6 Ų | 78.6 | 44% | 0.436 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 176.7 | -51.8 | 0 | 0 | 0 | 0 | 111.1 | K545 K546 E547 F551 L552 D553 | K545-T549 WeakPolarHBondContact O-CB 3.26Å; K545-T549 PolarHBondContact O-N 3.24Å; K545-T549 PolarHBondContact O-OG1 2.97Å; K546-T549 PolarHBondContact O-N 2.87Å; E547-T549 VanDerWaalsContact C-N 3.34Å; E547-T549 PolarHBondContact O-N 3.21Å; T549-F551 VanDerWaalsContact C-N 3.35Å; T549-F551 PolarHBondContact O-N 2.98Å; T549-L552 PolarHBondContact O-N 3.11Å; T549-D553 PolarHBondContact O-N 3.32Å |
| 550 | T | 87.9 | Confident | 86.1 | Confident | 71 Ų | 71 | 79.4 Ų | 79.4 | 44% | 0.436 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.5 | -40.2 | 178.4 | -52.7 | 0 | 0 | 0 | 0 | 111.6 | K546 E547 L548 D553 N554 | K546-T550 WeakPolarHBondContact O-CB 3.49Å; K546-T550 PolarHBondContact O-N 3.16Å; K546-T550 PolarHBondContact O-OG1 2.87Å; E547-T550 PolarHBondContact O-N 3.1Å; L548-T550 PolarHBondContact O-N 2.98Å; T550-D553 PolarHBondContact O-N 3.2Å; T550-N554 WeakPolarHBondContact O-CB 3.41Å; T550-N554 PolarHBondContact O-N 3.38Å |
| 551 | F | 88.6 | Confident | 85.5 | Confident | 54 Ų | 54 | 83.5 Ų | 83.5 | 24% | 0.237 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.6 | -49.8 | 176.3 | 179 | -97.2 | 0 | 0 | 0 | 111.5 | E547 L548 T549 D553 N554 Q555 E599 E600 L603 | E547-F551 VanDerWaalsContact O-CB 3.3Å; E547-F551 WeakPolarHBondContact O-CB 3.41Å; E547-F551 PolarHBondContact O-N 2.87Å; L548-F551 PolarHBondContact O-N 2.98Å; T549-F551 VanDerWaalsContact C-N 3.35Å; T549-F551 PolarHBondContact O-N 2.98Å; F551-D553 VanDerWaalsContact C-N 3.31Å; F551-D553 PolarHBondContact O-N 2.97Å; F551-N554 PolarHBondContact O-N 3.29Å; F551-Q555 WeakPolarHBondContact O-CB 3.48Å; F551-Q555 PolarHBondContact O-N 3.3Å; F551-E599 HydrophobicContact CZ-CB 3.9Å; F551-E600 HydrophobicContact CE1-CB 4.28Å; F551-L603 HydrophobicContact CB-CD2 3.65Å; F551-L603 HydrophobicContact CD1-CD2 3.67Å; F551-L603 HydrophobicContact CD2-CD2 3.97Å; F551-L603 HydrophobicContact CE1-CD2 4.33Å; F551-L603 HydrophobicContact CG-CD2 3.47Å; F551-L603 VanDerWaalsContact CG-CD2 3.47Å |
| 552 | L | 86 | Confident | 84.6 | Confident | 48 Ų | 48 | 82.4 Ų | 82.4 | 25% | 0.251 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.7 | -38.6 | 177.3 | -70.9 | 172.2 | 0 | 0 | 0 | 112.2 | L548 T549 Q555 K556 | L548-L552 HydrophobicContact CD1-CD1 4.42Å; L548-L552 HydrophobicContact CD1-CG 4.41Å; L548-L552 HydrophobicContact CG-CD1 4.16Å; L548-L552 WeakPolarHBondContact O-CB 3.32Å; L548-L552 VanDerWaalsContact O-CG 3.27Å; L548-L552 WeakPolarHBondContact O-CG 3.08Å; L548-L552 PolarHBondContact O-N 3.36Å; T549-L552 PolarHBondContact O-N 3.11Å; L552-Q555 PolarHBondContact O-N 2.98Å; L552-K556 VanDerWaalsContact O-CG 3.31Å; L552-K556 WeakPolarHBondContact O-CG 3.34Å; L552-K556 PolarHBondContact O-N 2.91Å |
| 553 | D | 85.7 | Confident | 83.8 | Confident | 76 Ų | 76 | 85.4 Ų | 85.4 | 41% | 0.406 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.9 | -38.5 | 176.2 | -77.3 | -17.5 | 0 | 0 | 0 | 112.5 | T549 T550 F551 K556 K557 | T549-D553 PolarHBondContact O-N 3.32Å; T550-D553 PolarHBondContact O-N 3.2Å; F551-D553 VanDerWaalsContact C-N 3.31Å; F551-D553 PolarHBondContact O-N 2.97Å; D553-K556 IonicContact OD1-NZ 3.45Å; D553-K557 WeakPolarHBondContact O-CG 3.47Å; D553-K557 PolarHBondContact O-N 2.97Å; D553-K557 VanDerWaalsContact O-N 3.12Å |
| 554 | N | 84.4 | Confident | 83 | Confident | 82 Ų | 82 | 87.2 Ų | 87.2 | 44% | 0.439 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 172.9 | -77.6 | -16.6 | 0 | 0 | 0 | 111.8 | T550 F551 K556 K557 Q558 | T550-N554 WeakPolarHBondContact O-CB 3.41Å; T550-N554 PolarHBondContact O-N 3.38Å; F551-N554 PolarHBondContact O-N 3.29Å; N554-K556 VanDerWaalsContact C-N 3.35Å; N554-K556 PolarHBondContact O-N 3.49Å; N554-K557 WeakPolarHBondContact O-CB 3.43Å; N554-K557 PolarHBondContact O-N 2.89Å; N554-K557 VanDerWaalsContact O-N 3.15Å; N554-Q558 WeakPolarHBondContact O-CG 3.33Å; N554-Q558 PolarHBondContact O-N 3.19Å |
| 555 | Q | 83.1 | Confident | 82 | Confident | 27 Ų | 27 | 92.1 Ų | 92.1 | 13% | 0.126 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 176.2 | -167.9 | -172 | 69.8 | 0 | 0 | 111.3 | F551 L552 K557 Q558 Y559 Q596 | F551-Q555 WeakPolarHBondContact O-CB 3.48Å; F551-Q555 PolarHBondContact O-N 3.3Å; L552-Q555 PolarHBondContact O-N 2.98Å; Q555-K557 PolarHBondContact O-N 3.4Å; Q555-Q558 PolarHBondContact O-N 2.84Å; Q555-Y559 VanDerWaalsContact O-CB 3.27Å; Q555-Y559 WeakPolarHBondContact O-CB 3.4Å; Q555-Y559 PolarHBondContact O-N 3.03Å; Q555-Q596 HydrophobicContact CG-CB 4.27Å; Q555-Q596 HydrophobicContact CG-CG 3.65Å; Q555-Q596 PolarHBondContact NE2-O 3.4Å |
| 556 | K | 82.7 | Confident | 81 | Confident | 127 Ų | 127 | 86.4 Ų | 86.4 | 55% | 0.552 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.4 | -39.6 | 172.8 | -74.6 | 170.9 | -171.7 | 166 | 0 | 112.8 | L552 D553 N554 K560 | L552-K556 VanDerWaalsContact O-CG 3.31Å; L552-K556 WeakPolarHBondContact O-CG 3.34Å; L552-K556 PolarHBondContact O-N 2.91Å; D553-K556 IonicContact OD1-NZ 3.45Å; N554-K556 VanDerWaalsContact C-N 3.35Å; N554-K556 PolarHBondContact O-N 3.49Å; K556-K560 WeakPolarHBondContact O-CG 3.2Å; K556-K560 PolarHBondContact O-N 3.02Å; K556-K560 VanDerWaalsContact O-N 3.12Å |
| 557 | K | 82.8 | Confident | 79.8 | Confident | 130 Ų | 130 | 86.6 Ų | 86.6 | 57% | 0.565 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -67.3 | -46.5 | 176.5 | -72.7 | 172.8 | -175.1 | 172.7 | 0 | 111.6 | D553 N554 Q555 Y559 K560 L561 | D553-K557 WeakPolarHBondContact O-CG 3.47Å; D553-K557 PolarHBondContact O-N 2.97Å; D553-K557 VanDerWaalsContact O-N 3.12Å; N554-K557 WeakPolarHBondContact O-CB 3.43Å; N554-K557 PolarHBondContact O-N 2.89Å; N554-K557 VanDerWaalsContact O-N 3.15Å; Q555-K557 PolarHBondContact O-N 3.4Å; K557-Y559 VanDerWaalsContact C-N 3.32Å; K557-Y559 PolarHBondContact O-N 2.84Å; K557-K560 WeakPolarHBondContact O-CB 3.36Å; K557-K560 PolarHBondContact O-N 3.25Å; K557-L561 PolarHBondContact O-N 3.49Å |
| 558 | Q | 77.1 | Confident | 78.8 | Confident | 114 Ų | 114 | 88.7 Ų | 88.7 | 53% | 0.533 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 175.9 | -71.1 | -65.1 | -13.8 | 0 | 0 | 111.7 | N554 Q555 K560 L561 C562 | N554-Q558 WeakPolarHBondContact O-CG 3.33Å; N554-Q558 PolarHBondContact O-N 3.19Å; Q555-Q558 PolarHBondContact O-N 2.84Å; Q558-K560 VanDerWaalsContact C-N 3.33Å; Q558-K560 PolarHBondContact O-N 2.98Å; Q558-L561 PolarHBondContact O-N 2.97Å; Q558-C562 WeakPolarHBondContact O-CB 3.16Å; Q558-C562 PolarHBondContact O-N 3.48Å |
| 559 | Y | 78.8 | Confident | 77.6 | Confident | 52 Ų | 52 | 93.1 Ų | 93.1 | 20% | 0.204 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 174.3 | -176.4 | -94.5 | 0 | 0 | 0 | 112 | Q555 K557 K563 M592 | Q555-Y559 VanDerWaalsContact O-CB 3.27Å; Q555-Y559 WeakPolarHBondContact O-CB 3.4Å; Q555-Y559 PolarHBondContact O-N 3.03Å; K557-Y559 VanDerWaalsContact C-N 3.32Å; K557-Y559 PolarHBondContact O-N 2.84Å; Y559-K563 HydrophobicContact CE1-CD 4.1Å; Y559-K563 WeakPolarHBondContact O-CB 3.46Å; Y559-K563 PolarHBondContact O-N 2.99Å; Y559-M592 HydrophobicContact CD2-CE 3.33Å; Y559-M592 HydrophobicContact CD2-SD 4.29Å; Y559-M592 HydrophobicContact CE2-CE 4.02Å; Y559-M592 HydrophobicContact CE2-SD 4.43Å; Y559-M592 HydrophobicContact CG-CE 4.09Å |
| 560 | K | 78.2 | Confident | 76.2 | Confident | 151 Ų | 151 | 91.9 Ų | 91.9 | 66% | 0.657 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.8 | -49.1 | 175.2 | -74 | 178.5 | -178.7 | -176.5 | 0 | 111.5 | K556 K557 Q558 K563 E564 | K556-K560 WeakPolarHBondContact O-CG 3.2Å; K556-K560 PolarHBondContact O-N 3.02Å; K556-K560 VanDerWaalsContact O-N 3.12Å; K557-K560 WeakPolarHBondContact O-CB 3.36Å; K557-K560 PolarHBondContact O-N 3.25Å; Q558-K560 VanDerWaalsContact C-N 3.33Å; Q558-K560 PolarHBondContact O-N 2.98Å; K560-K563 PolarHBondContact O-N 3.28Å; K560-E564 WeakPolarHBondContact O-CG 3.25Å; K560-E564 PolarHBondContact O-N 2.73Å |
| 561 | L | 76.7 | Confident | 74.9 | Confident | 101 Ų | 101 | 94.2 Ų | 94.2 | 53% | 0.529 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.2 | -48.2 | 179.5 | -90.3 | 153.2 | 0 | 0 | 0 | 113.2 | K557 Q558 E564 K565 | K557-L561 PolarHBondContact O-N 3.49Å; Q558-L561 PolarHBondContact O-N 2.97Å; L561-E564 PolarHBondContact O-N 3.27Å; L561-K565 PolarHBondContact O-N 3.49Å |
| 562 | C | 71.6 | Confident | 73.5 | Confident | 49 Ų | 49 | 99.5 Ų | 99.5 | 33% | 0.331 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 176.4 | -74.6 | 0 | 0 | 0 | 0 | 110.7 | Q558 E564 K565 I566 M592 | Q558-C562 WeakPolarHBondContact O-CB 3.16Å; Q558-C562 PolarHBondContact O-N 3.48Å; C562-E564 PolarHBondContact O-N 2.87Å; C562-K565 PolarHBondContact O-N 3.08Å; C562-I566 HydrophobicContact CB-CD1 4.33Å; C562-I566 WeakPolarHBondContact O-CB 3.26Å; C562-I566 WeakPolarHBondContact O-CD1 3.21Å; C562-I566 VanDerWaalsContact O-CG1 3.26Å; C562-I566 WeakPolarHBondContact O-CG1 3.19Å; C562-I566 PolarHBondContact O-N 3.1Å; C562-M592 HydrophobicContact CB-CE 4.02Å; C562-M592 HydrophobicContact CB-SD 4.04Å |
| 563 | K | 72.3 | Confident | 72 | Confident | 124 Ų | 124 | 100 Ų | 100 | 54% | 0.539 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -57 | -36.4 | 176.5 | -177.2 | -175.3 | 177 | -169.3 | 0 | 112.3 | Y559 K560 K567 | Y559-K563 HydrophobicContact CE1-CD 4.1Å; Y559-K563 WeakPolarHBondContact O-CB 3.46Å; Y559-K563 PolarHBondContact O-N 2.99Å; K560-K563 PolarHBondContact O-N 3.28Å; K563-K567 WeakPolarHBondContact O-CB 3.31Å; K563-K567 PolarHBondContact O-N 3.3Å |
| 564 | E | 72.3 | Confident | 70.6 | Confident | 127 Ų | 127 | 105 Ų | 105 | 59% | 0.593 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -72.4 | -46.1 | 174.4 | -66.3 | -142.6 | 137.1 | 0 | 0 | 112.5 | K560 L561 C562 I566 K567 E568 | K560-E564 WeakPolarHBondContact O-CG 3.25Å; K560-E564 PolarHBondContact O-N 2.73Å; L561-E564 PolarHBondContact O-N 3.27Å; C562-E564 PolarHBondContact O-N 2.87Å; E564-I566 PolarHBondContact O-N 3.4Å; E564-K567 CarbonylContact O-C 3.51Å; E564-K567 WeakPolarHBondContact O-CA 3.43Å; E564-K567 VanDerWaalsContact O-CB 3.3Å; E564-K567 WeakPolarHBondContact O-CB 3.3Å; E564-K567 PolarHBondContact O-N 2.67Å; E564-E568 PolarHBondContact O-N 3.16Å |
| 565 | K | 68.9 | Low | 69.3 | Low | 127 Ų | 127 | 106 Ų | 106 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.3 | -43.6 | 174.9 | -80 | -173.3 | 174.1 | -173.4 | 0 | 113.5 | L561 C562 K567 E568 E569 | L561-K565 PolarHBondContact O-N 3.49Å; C562-K565 PolarHBondContact O-N 3.08Å; K565-K567 VanDerWaalsContact C-N 3.25Å; K565-K567 PolarHBondContact O-N 2.86Å; K565-E568 WeakPolarHBondContact O-CB 3.43Å; K565-E568 PolarHBondContact O-N 3.4Å; K565-E569 WeakPolarHBondContact O-CG 3.48Å; K565-E569 PolarHBondContact O-N 3.2Å |
| 566 | I | 67.9 | Low | 67.9 | Low | 29 Ų | 29 | 106.1 Ų | 106.1 | 15% | 0.149 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -65.7 | -33.3 | 177.3 | -65.5 | 151.8 | 0 | 0 | 0 | 110.6 | C562 E564 M570 L585 H588 M592 | C562-I566 HydrophobicContact CB-CD1 4.33Å; C562-I566 WeakPolarHBondContact O-CB 3.26Å; C562-I566 WeakPolarHBondContact O-CD1 3.21Å; C562-I566 VanDerWaalsContact O-CG1 3.26Å; C562-I566 WeakPolarHBondContact O-CG1 3.19Å; C562-I566 PolarHBondContact O-N 3.1Å; E564-I566 PolarHBondContact O-N 3.4Å; I566-M570 HydrophobicContact CG2-SD 4.32Å; I566-M570 VanDerWaalsContact O-CB 3.28Å; I566-M570 WeakPolarHBondContact O-CB 3.25Å; I566-M570 WeakPolarHBondContact O-CG 3.4Å; I566-M570 PolarHBondContact O-N 2.84Å; I566-M570 VanDerWaalsContact O-N 3.08Å; I566-L585 HydrophobicContact CG2-CD1 4.46Å; I566-H588 WeakPolarHBondContact CD1-CD2 3.34Å; I566-H588 VanDerWaalsContact CD1-NE2 3.33Å; I566-H588 WeakPolarHBondContact CD1-NE2 3.47Å; I566-M592 HydrophobicContact CD1-SD 4.32Å |
| 567 | K | 65.1 | Low | 66.8 | Low | 140 Ų | 140 | 103.8 Ų | 103.8 | 61% | 0.609 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.2 | -32.4 | 175.5 | -155.9 | -178.3 | -177.9 | -165.4 | 0 | 111.7 | K563 E564 K565 N571 | K563-K567 WeakPolarHBondContact O-CB 3.31Å; K563-K567 PolarHBondContact O-N 3.3Å; E564-K567 CarbonylContact O-C 3.51Å; E564-K567 WeakPolarHBondContact O-CA 3.43Å; E564-K567 VanDerWaalsContact O-CB 3.3Å; E564-K567 WeakPolarHBondContact O-CB 3.3Å; E564-K567 PolarHBondContact O-N 2.67Å; K565-K567 VanDerWaalsContact C-N 3.25Å; K565-K567 PolarHBondContact O-N 2.86Å; K567-N571 PolarHBondContact O-N 3.12Å |
| 568 | E | 66.3 | Low | 65.7 | Low | 123 Ų | 123 | 107 Ų | 107 | 58% | 0.575 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -72.6 | -51.6 | 172.4 | -72.7 | 175.6 | 164.3 | 0 | 0 | 112.1 | E564 K565 M570 N571 E572 | E564-E568 PolarHBondContact O-N 3.16Å; K565-E568 WeakPolarHBondContact O-CB 3.43Å; K565-E568 PolarHBondContact O-N 3.4Å; E568-M570 PolarHBondContact O-N 2.82Å; E568-N571 WeakPolarHBondContact O-CA 3.12Å; E568-N571 WeakPolarHBondContact O-CB 3.36Å; E568-N571 PolarHBondContact O-N 2.71Å; E568-E572 PolarHBondContact O-N 2.92Å |
| 569 | E | 64.1 | Low | 65 | Low | 132 Ų | 132 | 110.6 Ų | 110.6 | 62% | 0.617 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -56.7 | -36 | 176.2 | -74.5 | 176.5 | 179.8 | 0 | 0 | 112.1 | K565 E572 | K565-E569 WeakPolarHBondContact O-CG 3.48Å; K565-E569 PolarHBondContact O-N 3.2Å; E569-E572 PolarHBondContact O-N 3.04Å |
| 570 | M | 59.3 | Low | 64.3 | Low | 45 Ų | 45 | 112.2 Ų | 112.2 | 22% | 0.222 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -78.1 | -16.9 | 176.1 | -72.3 | -167.7 | 76.6 | 0 | 0 | 114.7 | I566 E568 K581 L585 | I566-M570 HydrophobicContact CG2-SD 4.32Å; I566-M570 VanDerWaalsContact O-CB 3.28Å; I566-M570 WeakPolarHBondContact O-CB 3.25Å; I566-M570 WeakPolarHBondContact O-CG 3.4Å; I566-M570 PolarHBondContact O-N 2.84Å; I566-M570 VanDerWaalsContact O-N 3.08Å; E568-M570 PolarHBondContact O-N 2.82Å; M570-K581 HydrophobicContact CE-CB 3.46Å; M570-K581 VanDerWaalsContact CE-CB 3.46Å; M570-K581 HydrophobicContact CE-CD 3.73Å; M570-K581 HydrophobicContact CE-CG 3.4Å; M570-K581 PolarHBondContact O-NZ 3.2Å; M570-L585 HydrophobicContact SD-CD1 3.61Å |
| 571 | N | 61.2 | Low | 63.5 | Low | 121 Ų | 121 | 107.5 Ų | 107.5 | 65% | 0.647 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -79.8 | -24.1 | 171.4 | -89 | -13.8 | 0 | 0 | 0 | 111.9 | K567 E568 H574 | K567-N571 PolarHBondContact O-N 3.12Å; E568-N571 WeakPolarHBondContact O-CA 3.12Å; E568-N571 WeakPolarHBondContact O-CB 3.36Å; E568-N571 PolarHBondContact O-N 2.71Å; N571-H574 PolarHBondContact O-CE1 3.46Å; N571-H574 VanDerWaalsContact O-CE1 3.24Å; N571-H574 PolarHBondContact O-ND1 3.34Å |
| 572 | E | 58.7 | Low | 63 | Low | 165 Ų | 165 | 109.2 Ų | 109.2 | 77% | 0.771 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -82.1 | -22.3 | 177.2 | -66.3 | -166.8 | 162.5 | 0 | 0 | 114 | E568 E569 H574 | E568-E572 PolarHBondContact O-N 2.92Å; E569-E572 PolarHBondContact O-N 3.04Å; E572-H574 PolarHBondContact O-N 3.24Å |
| 573 | D | 55.4 | Low | 62.8 | Low | 59 Ų | 59 | 113.5 Ų | 113.5 | 32% | 0.316 | 55% | 0.545 | S | S | . | . | trans | -87.6 | 101.3 | 176.9 | -173.2 | 9.4 | 0 | 0 | 0 | 112.1 | S575 T576 K581 | D573-S575 PolarHBondContact OD1-N 2.96Å; D573-S575 PolarHBondContact OD1-OG 3.08Å; D573-T576 VanDerWaalsContact CG-OG1 3.28Å; D573-T576 PolarHBondContact OD2-OG1 3.28Å; D573-K581 PolarHBondContact O-NZ 3.24Å | ||
| 574 | H | 55.6 | Low | 62.6 | Low | 179 Ų | 179 | 113.8 Ų | 113.8 | 83% | 0.829 | 54% | 0.542 | S | S | * | . | trans | -86.9 | 4 | -179.5 | -68.1 | -6.1 | 0 | 0 | 0 | 114.6 | N571 E572 | N571-H574 PolarHBondContact O-CE1 3.46Å; N571-H574 VanDerWaalsContact O-CE1 3.24Å; N571-H574 PolarHBondContact O-ND1 3.34Å; E572-H574 PolarHBondContact O-N 3.24Å | ||
| 575 | S | 57 | Low | 62.4 | Low | 103 Ų | 103 | 111.6 Ų | 111.6 | 72% | 0.72 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -108.3 | -7.6 | -171.1 | 72.7 | 0 | 0 | 0 | 0 | 116 | D573 | D573-S575 PolarHBondContact OD1-N 2.96Å; D573-S575 PolarHBondContact OD1-OG 3.08Å |
| 576 | T | 53 | Low | 62.5 | Low | 31 Ų | 31 | 109 Ų | 109 | 19% | 0.19 | 53% | 0.532 | C | S | . | . | S | Bend | trans | -101 | 132.5 | -172.3 | 26.9 | 0 | 0 | 0 | 0 | 114.9 | D573 K581 | D573-T576 VanDerWaalsContact CG-OG1 3.28Å; D573-T576 PolarHBondContact OD2-OG1 3.28Å; T576-K581 WeakPolarHBondContact OG1-CE 3.41Å |
| 577 | P | 59.8 | Low | 62.9 | Low | 78 Ų | 78 | 114.1 Ų | 114.1 | 51% | 0.506 | 55% | 0.553 | S | S | . | * | trans | -64.1 | 146.8 | -178.3 | -21.7 | 32.2 | 0 | 0 | 0 | 115.9 | K579 E580 K581 | P577-K579 VanDerWaalsContact C-N 3.32Å; P577-K579 PolarHBondContact O-N 3.27Å; P577-K579 VanDerWaalsContact O-N 3.16Å; P577-E580 PolarHBondContact O-N 3.27Å; P577-K581 PolarHBondContact O-N 2.82Å; P577-K581 VanDerWaalsContact O-N 3.12Å | ||
| 578 | K | 59.5 | Low | 63.4 | Low | 197 Ų | 197 | 111.7 Ų | 111.7 | 86% | 0.857 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -55.2 | -33.8 | -176.7 | -81.7 | -175.3 | 176.7 | 177.7 | 0 | 115.5 | Q582 | K578-Q582 PolarHBondContact O-N 2.7Å |
| 579 | K | 64 | Low | 63.8 | Low | 189 Ų | 189 | 110.9 Ų | 110.9 | 82% | 0.822 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -75.2 | -39.3 | -176.8 | -154.7 | 178.4 | -178.8 | -174.6 | 0 | 112.1 | P577 E583 | P577-K579 VanDerWaalsContact C-N 3.32Å; P577-K579 PolarHBondContact O-N 3.27Å; P577-K579 VanDerWaalsContact O-N 3.16Å; K579-E583 PolarHBondContact O-N 3.09Å |
| 580 | E | 62.9 | Low | 64.4 | Low | 86 Ų | 86 | 110.5 Ų | 110.5 | 40% | 0.402 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.2 | -36.1 | 172.3 | -86.6 | -169.5 | 108.6 | 0 | 0 | 112.5 | P577 Q582 E583 R584 | P577-E580 PolarHBondContact O-N 3.27Å; E580-Q582 VanDerWaalsContact C-N 3.32Å; E580-Q582 PolarHBondContact O-N 3.15Å; E580-E583 PolarHBondContact O-N 3.45Å; E580-R584 WeakPolarHBondContact O-CB 3.37Å; E580-R584 WeakPolarHBondContact O-CG 3.49Å; E580-R584 PolarHBondContact O-N 2.83Å; E580-R584 IonicContact OE1-CZ 3.25Å; E580-R584 IonicContact OE1-NH2 2.93Å; E580-R584 PolarHBondContact OE1-NH2 2.88Å; E580-R584 IonicContact OE2-NH2 3.85Å |
| 581 | K | 61.5 | Low | 65.3 | Low | 52 Ų | 52 | 112.7 Ų | 112.7 | 23% | 0.226 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -58.8 | -42.6 | 174.4 | -78.6 | -164.3 | 174.3 | -169 | 0 | 111.6 | M570 D573 T576 P577 L585 | M570-K581 HydrophobicContact CE-CB 3.46Å; M570-K581 VanDerWaalsContact CE-CB 3.46Å; M570-K581 HydrophobicContact CE-CD 3.73Å; M570-K581 HydrophobicContact CE-CG 3.4Å; M570-K581 PolarHBondContact O-NZ 3.2Å; D573-K581 PolarHBondContact O-NZ 3.24Å; T576-K581 WeakPolarHBondContact OG1-CE 3.41Å; P577-K581 PolarHBondContact O-N 2.82Å; P577-K581 VanDerWaalsContact O-N 3.12Å; K581-L585 WeakPolarHBondContact O-CB 3.42Å; K581-L585 PolarHBondContact O-N 2.81Å |
| 582 | Q | 65.6 | Low | 66.1 | Low | 138 Ų | 138 | 108.6 Ų | 108.6 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.6 | -40.2 | 179 | -167.3 | 76.7 | 17.1 | 0 | 0 | 112.7 | K578 E580 L585 S586 | K578-Q582 PolarHBondContact O-N 2.7Å; E580-Q582 VanDerWaalsContact C-N 3.32Å; E580-Q582 PolarHBondContact O-N 3.15Å; Q582-L585 PolarHBondContact O-N 3.09Å; Q582-S586 PolarHBondContact O-N 3.25Å |
| 583 | E | 69.1 | Low | 67.1 | Low | 139 Ų | 139 | 105.4 Ų | 105.4 | 65% | 0.65 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.6 | -41.7 | 179 | -170.1 | 174.1 | -175.8 | 0 | 0 | 112 | K579 E580 L585 S586 K587 | K579-E583 PolarHBondContact O-N 3.09Å; E580-E583 PolarHBondContact O-N 3.45Å; E583-L585 VanDerWaalsContact C-N 3.34Å; E583-L585 PolarHBondContact O-N 3.47Å; E583-S586 PolarHBondContact O-N 3Å; E583-K587 WeakPolarHBondContact O-CB 3.21Å; E583-K587 PolarHBondContact O-N 2.92Å |
| 584 | R | 67.3 | Low | 68.3 | Low | 129 Ų | 129 | 108 Ų | 108 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 171.2 | -71.9 | -177.7 | -164 | 166.7 | 9.1 | 111.6 | E580 S586 K587 H588 | E580-R584 WeakPolarHBondContact O-CB 3.37Å; E580-R584 WeakPolarHBondContact O-CG 3.49Å; E580-R584 PolarHBondContact O-N 2.83Å; E580-R584 IonicContact OE1-CZ 3.25Å; E580-R584 IonicContact OE1-NH2 2.93Å; E580-R584 PolarHBondContact OE1-NH2 2.88Å; E580-R584 IonicContact OE2-NH2 3.85Å; R584-S586 PolarHBondContact O-N 2.96Å; R584-K587 PolarHBondContact O-N 2.98Å; R584-H588 WeakPolarHBondContact O-CB 3.42Å; R584-H588 PolarHBondContact O-N 2.86Å |
| 585 | L | 68.1 | Low | 69.5 | Low | 81 Ų | 81 | 101.8 Ų | 101.8 | 42% | 0.424 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 175.9 | -154.4 | 98.3 | 0 | 0 | 0 | 112.1 | I566 M570 K581 Q582 E583 K589 | I566-L585 HydrophobicContact CG2-CD1 4.46Å; M570-L585 HydrophobicContact SD-CD1 3.61Å; K581-L585 WeakPolarHBondContact O-CB 3.42Å; K581-L585 PolarHBondContact O-N 2.81Å; Q582-L585 PolarHBondContact O-N 3.09Å; E583-L585 VanDerWaalsContact C-N 3.34Å; E583-L585 PolarHBondContact O-N 3.47Å; L585-K589 VanDerWaalsContact O-CB 3.22Å; L585-K589 WeakPolarHBondContact O-CB 3.36Å; L585-K589 PolarHBondContact O-N 2.92Å |
| 586 | S | 72 | Confident | 70.7 | Confident | 73 Ų | 73 | 98.3 Ų | 98.3 | 51% | 0.51 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.5 | -47.5 | 176.1 | -167 | 0 | 0 | 0 | 0 | 111.7 | Q582 E583 R584 H588 K589 E590 | Q582-S586 PolarHBondContact O-N 3.25Å; E583-S586 PolarHBondContact O-N 3Å; R584-S586 PolarHBondContact O-N 2.96Å; S586-H588 VanDerWaalsContact C-N 3.34Å; S586-H588 PolarHBondContact O-N 2.91Å; S586-K589 WeakPolarHBondContact O-CB 3.48Å; S586-K589 PolarHBondContact O-N 3.42Å; S586-E590 WeakPolarHBondContact O-CB 3.2Å; S586-E590 PolarHBondContact O-N 3.33Å |
| 587 | K | 76 | Confident | 72.1 | Confident | 137 Ų | 137 | 99.5 Ų | 99.5 | 60% | 0.596 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.1 | -37 | 178.5 | -168.5 | 173.5 | -174.8 | 174.9 | 0 | 112.3 | E583 R584 E590 N591 | E583-K587 WeakPolarHBondContact O-CB 3.21Å; E583-K587 PolarHBondContact O-N 2.92Å; R584-K587 PolarHBondContact O-N 2.98Å; K587-E590 PolarHBondContact O-N 3.44Å; K587-N591 WeakPolarHBondContact O-CB 3.3Å; K587-N591 VanDerWaalsContact O-CG 3.22Å; K587-N591 PolarHBondContact O-N 3.17Å; K587-N591 PolarHBondContact O-OD1 2.92Å |
| 588 | H | 74.2 | Confident | 73.2 | Confident | 89 Ų | 89 | 101.1 Ų | 101.1 | 41% | 0.412 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -73.7 | -34.9 | 177.4 | -156.2 | 71.5 | 0 | 0 | 0 | 112 | I566 R584 S586 M592 | I566-H588 WeakPolarHBondContact CD1-CD2 3.34Å; I566-H588 VanDerWaalsContact CD1-NE2 3.33Å; I566-H588 WeakPolarHBondContact CD1-NE2 3.47Å; R584-H588 WeakPolarHBondContact O-CB 3.42Å; R584-H588 PolarHBondContact O-N 2.86Å; S586-H588 VanDerWaalsContact C-N 3.34Å; S586-H588 PolarHBondContact O-N 2.91Å; H588-M592 WeakPolarHBondContact O-CB 3.46Å; H588-M592 PolarHBondContact O-N 3.44Å |
| 589 | K | 74.6 | Confident | 74.4 | Confident | 105 Ų | 105 | 96.5 Ų | 96.5 | 46% | 0.457 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 169 | -178.6 | -174.1 | 174.4 | -165.3 | 0 | 111.8 | L585 S586 M592 Q593 | L585-K589 VanDerWaalsContact O-CB 3.22Å; L585-K589 WeakPolarHBondContact O-CB 3.36Å; L585-K589 PolarHBondContact O-N 2.92Å; S586-K589 WeakPolarHBondContact O-CB 3.48Å; S586-K589 PolarHBondContact O-N 3.42Å; K589-M592 PolarHBondContact O-N 2.96Å; K589-Q593 WeakPolarHBondContact O-CB 3.38Å; K589-Q593 VanDerWaalsContact O-CG 3.3Å; K589-Q593 WeakPolarHBondContact O-CG 3.25Å; K589-Q593 PolarHBondContact O-N 3.25Å |
| 590 | E | 77.3 | Confident | 75.4 | Confident | 125 Ų | 125 | 90.5 Ų | 90.5 | 58% | 0.584 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66 | -45.2 | 177.1 | -169.3 | 174.1 | -169.8 | 0 | 0 | 111.6 | S586 K587 M592 Q593 H594 | S586-E590 WeakPolarHBondContact O-CB 3.2Å; S586-E590 PolarHBondContact O-N 3.33Å; K587-E590 PolarHBondContact O-N 3.44Å; E590-M592 PolarHBondContact O-N 3.14Å; E590-Q593 PolarHBondContact O-N 3.01Å; E590-H594 WeakPolarHBondContact O-CB 3.49Å; E590-H594 PolarHBondContact O-N 2.88Å |
| 591 | N | 79.5 | Confident | 76.5 | Confident | 91 Ų | 91 | 88.8 Ų | 88.8 | 49% | 0.487 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.7 | -40 | 174.1 | -74.6 | -2.1 | 0 | 0 | 0 | 112.6 | K587 H594 S595 | K587-N591 WeakPolarHBondContact O-CB 3.3Å; K587-N591 VanDerWaalsContact O-CG 3.22Å; K587-N591 PolarHBondContact O-N 3.17Å; K587-N591 PolarHBondContact O-OD1 2.92Å; N591-H594 PolarHBondContact O-N 3.26Å; N591-S595 WeakPolarHBondContact O-CB 3.37Å; N591-S595 PolarHBondContact O-N 2.82Å |
| 592 | M | 76.4 | Confident | 77.7 | Confident | 34 Ų | 34 | 92.6 Ų | 92.6 | 17% | 0.167 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 173.6 | -95.2 | -165.5 | 74.7 | 0 | 0 | 111.9 | Y559 C562 I566 H588 K589 E590 Q596 | Y559-M592 HydrophobicContact CD2-CE 3.33Å; Y559-M592 HydrophobicContact CD2-SD 4.29Å; Y559-M592 HydrophobicContact CE2-CE 4.02Å; Y559-M592 HydrophobicContact CE2-SD 4.43Å; Y559-M592 HydrophobicContact CG-CE 4.09Å; C562-M592 HydrophobicContact CB-CE 4.02Å; C562-M592 HydrophobicContact CB-SD 4.04Å; I566-M592 HydrophobicContact CD1-SD 4.32Å; H588-M592 WeakPolarHBondContact O-CB 3.46Å; H588-M592 PolarHBondContact O-N 3.44Å; K589-M592 PolarHBondContact O-N 2.96Å; E590-M592 PolarHBondContact O-N 3.14Å; M592-Q596 VanDerWaalsContact O-CB 3.25Å; M592-Q596 WeakPolarHBondContact O-CB 3.4Å; M592-Q596 WeakPolarHBondContact O-CG 3.35Å; M592-Q596 PolarHBondContact O-N 3.49Å |
| 593 | Q | 79.4 | Confident | 78.7 | Confident | 98 Ų | 98 | 87.8 Ų | 87.8 | 46% | 0.458 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.4 | -37.8 | 177.1 | -75.9 | -179.9 | -24.6 | 0 | 0 | 111.9 | K589 E590 A597 | K589-Q593 WeakPolarHBondContact O-CB 3.38Å; K589-Q593 VanDerWaalsContact O-CG 3.3Å; K589-Q593 WeakPolarHBondContact O-CG 3.25Å; K589-Q593 PolarHBondContact O-N 3.25Å; E590-Q593 PolarHBondContact O-N 3.01Å; Q593-A597 WeakPolarHBondContact O-CB 3.46Å; Q593-A597 PolarHBondContact O-N 3.41Å |
| 594 | H | 81.3 | Confident | 79.6 | Confident | 113 Ų | 113 | 84.7 Ų | 84.7 | 52% | 0.523 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.9 | -49.8 | 174.2 | -168.5 | -77.1 | 0 | 0 | 0 | 111.5 | E590 N591 Q596 A597 E598 | E590-H594 WeakPolarHBondContact O-CB 3.49Å; E590-H594 PolarHBondContact O-N 2.88Å; N591-H594 PolarHBondContact O-N 3.26Å; H594-Q596 VanDerWaalsContact C-N 3.33Å; H594-Q596 PolarHBondContact O-N 2.9Å; H594-A597 PolarHBondContact O-N 3.11Å; H594-E598 IonicContact CE1-OE1 3.62Å; H594-E598 PolarHBondContact CE1-OE1 2.81Å; H594-E598 IonicContact CE1-OE2 3.89Å; H594-E598 IonicContact ND1-OE1 3.09Å; H594-E598 PolarHBondContact ND1-OE1 3.45Å; H594-E598 IonicContact ND1-OE2 3.09Å; H594-E598 PolarHBondContact ND1-OE2 3.08Å; H594-E598 VanDerWaalsContact ND1-OE2 3.09Å; H594-E598 WeakPolarHBondContact O-CG 3.47Å; H594-E598 PolarHBondContact O-N 3.2Å |
| 595 | S | 80.3 | Confident | 80.5 | Confident | 50 Ų | 50 | 82.7 Ų | 82.7 | 35% | 0.35 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 176.4 | 175.3 | 0 | 0 | 0 | 0 | 112 | N591 A597 E598 E599 | N591-S595 WeakPolarHBondContact O-CB 3.37Å; N591-S595 PolarHBondContact O-N 2.82Å; S595-A597 PolarHBondContact O-N 3.4Å; S595-E598 PolarHBondContact O-N 2.79Å; S595-E599 WeakPolarHBondContact O-CG 3.31Å; S595-E599 PolarHBondContact O-N 2.96Å |
| 596 | Q | 82.7 | Confident | 81.4 | Confident | 30 Ų | 30 | 81.3 Ų | 81.3 | 14% | 0.14 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 174.2 | -78.3 | 179.6 | -13.5 | 0 | 0 | 113.3 | Q555 M592 H594 E600 | Q555-Q596 HydrophobicContact CG-CB 4.27Å; Q555-Q596 HydrophobicContact CG-CG 3.65Å; Q555-Q596 PolarHBondContact NE2-O 3.4Å; M592-Q596 VanDerWaalsContact O-CB 3.25Å; M592-Q596 WeakPolarHBondContact O-CB 3.4Å; M592-Q596 WeakPolarHBondContact O-CG 3.35Å; M592-Q596 PolarHBondContact O-N 3.49Å; H594-Q596 VanDerWaalsContact C-N 3.33Å; H594-Q596 PolarHBondContact O-N 2.9Å; Q596-E600 WeakPolarHBondContact O-CB 3.41Å; Q596-E600 PolarHBondContact O-N 2.92Å |
| 597 | A | 82.3 | Confident | 82.1 | Confident | 56 Ų | 56 | 78.6 Ų | 78.6 | 46% | 0.463 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69.7 | -35.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q593 H594 S595 A601 | Q593-A597 WeakPolarHBondContact O-CB 3.46Å; Q593-A597 PolarHBondContact O-N 3.41Å; H594-A597 PolarHBondContact O-N 3.11Å; S595-A597 PolarHBondContact O-N 3.4Å; A597-A601 WeakPolarHBondContact O-CB 3.49Å; A597-A601 PolarHBondContact O-N 3.32Å |
| 598 | E | 84.1 | Confident | 82.7 | Confident | 111 Ų | 111 | 80.2 Ų | 80.2 | 52% | 0.519 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.9 | -44.3 | 173.5 | -76 | 176.9 | 138.9 | 0 | 0 | 111.8 | H594 S595 A601 H602 | H594-E598 IonicContact CE1-OE1 3.62Å; H594-E598 PolarHBondContact CE1-OE1 2.81Å; H594-E598 IonicContact CE1-OE2 3.89Å; H594-E598 IonicContact ND1-OE1 3.09Å; H594-E598 PolarHBondContact ND1-OE1 3.45Å; H594-E598 IonicContact ND1-OE2 3.09Å; H594-E598 PolarHBondContact ND1-OE2 3.08Å; H594-E598 VanDerWaalsContact ND1-OE2 3.09Å; H594-E598 WeakPolarHBondContact O-CG 3.47Å; H594-E598 PolarHBondContact O-N 3.2Å; S595-E598 PolarHBondContact O-N 2.79Å; E598-A601 PolarHBondContact O-N 3.02Å; E598-H602 VanDerWaalsContact O-CB 3.31Å; E598-H602 WeakPolarHBondContact O-CB 3.3Å; E598-H602 PolarHBondContact O-N 2.63Å |
| 599 | E | 83.9 | Confident | 83.2 | Confident | 101 Ų | 101 | 79.5 Ų | 79.5 | 47% | 0.472 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 176 | -70.5 | -179.2 | 172.8 | 0 | 0 | 112.2 | F551 S595 H602 L603 | F551-E599 HydrophobicContact CZ-CB 3.9Å; S595-E599 WeakPolarHBondContact O-CG 3.31Å; S595-E599 PolarHBondContact O-N 2.96Å; E599-H602 PolarHBondContact O-N 3.3Å; E599-L603 PolarHBondContact O-N 3.4Å |
| 600 | E | 85.5 | Confident | 83.8 | Confident | 62 Ų | 62 | 80 Ų | 80 | 29% | 0.29 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 173.2 | -174.4 | 180 | 168.4 | 0 | 0 | 111.2 | L548 F551 Q596 H602 L603 L604 | L548-E600 HydrophobicContact CD1-CG 4.46Å; F551-E600 HydrophobicContact CE1-CB 4.28Å; Q596-E600 WeakPolarHBondContact O-CB 3.41Å; Q596-E600 PolarHBondContact O-N 2.92Å; E600-H602 VanDerWaalsContact C-N 3.3Å; E600-H602 PolarHBondContact O-N 3.1Å; E600-L603 PolarHBondContact O-N 3.43Å; E600-L604 HydrophobicContact CG-CD1 4.27Å; E600-L604 WeakPolarHBondContact O-CG 3.42Å; E600-L604 PolarHBondContact O-N 3.1Å |
| 601 | A | 85 | Confident | 84.3 | Confident | 50 Ų | 50 | 77 Ų | 77 | 41% | 0.413 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A597 E598 T605 | A597-A601 WeakPolarHBondContact O-CB 3.49Å; A597-A601 PolarHBondContact O-N 3.32Å; E598-A601 PolarHBondContact O-N 3.02Å; A601-T605 VanDerWaalsContact O-CB 3.32Å; A601-T605 WeakPolarHBondContact O-CB 3.47Å; A601-T605 PolarHBondContact O-N 2.86Å; A601-T605 PolarHBondContact O-OG1 3.32Å |
| 602 | H | 87.1 | Confident | 84.7 | Confident | 132 Ų | 132 | 76.7 Ų | 76.7 | 61% | 0.611 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.6 | -42.7 | 174.7 | -175.8 | -85.4 | 0 | 0 | 0 | 111.8 | E598 E599 E600 T605 S606 | E598-H602 VanDerWaalsContact O-CB 3.31Å; E598-H602 WeakPolarHBondContact O-CB 3.3Å; E598-H602 PolarHBondContact O-N 2.63Å; E599-H602 PolarHBondContact O-N 3.3Å; E600-H602 VanDerWaalsContact C-N 3.3Å; E600-H602 PolarHBondContact O-N 3.1Å; H602-T605 PolarHBondContact O-N 3.1Å; H602-S606 WeakPolarHBondContact O-CB 3.42Å; H602-S606 PolarHBondContact O-N 3.02Å; H602-S606 PolarHBondContact O-OG 3.01Å |
| 603 | L | 87.3 | Confident | 85.2 | Confident | 38 Ų | 38 | 79.8 Ų | 79.8 | 20% | 0.199 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 174.7 | 179.1 | 63.8 | 0 | 0 | 0 | 111.5 | L548 F551 E599 E600 T605 S606 Q607 | L548-L603 HydrophobicContact CD1-CD2 4.13Å; F551-L603 HydrophobicContact CB-CD2 3.65Å; F551-L603 HydrophobicContact CD1-CD2 3.67Å; F551-L603 HydrophobicContact CD2-CD2 3.97Å; F551-L603 HydrophobicContact CE1-CD2 4.33Å; F551-L603 HydrophobicContact CG-CD2 3.47Å; F551-L603 VanDerWaalsContact CG-CD2 3.47Å; E599-L603 PolarHBondContact O-N 3.4Å; E600-L603 PolarHBondContact O-N 3.43Å; L603-T605 VanDerWaalsContact C-N 3.33Å; L603-T605 PolarHBondContact O-N 2.97Å; L603-S606 PolarHBondContact O-N 3.42Å; L603-Q607 HydrophobicContact CD1-CG 4.31Å; L603-Q607 HydrophobicContact CG-CG 4.49Å; L603-Q607 WeakPolarHBondContact O-CB 3.06Å; L603-Q607 WeakPolarHBondContact O-CG 3.41Å; L603-Q607 PolarHBondContact O-N 3.14Å |
| 604 | L | 87.2 | Confident | 85.6 | Confident | 74 Ų | 74 | 75.9 Ų | 75.9 | 39% | 0.387 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 178.6 | -69.4 | 174.9 | 0 | 0 | 0 | 112.1 | L548 E600 Q607 R608 | L548-L604 HydrophobicContact CD1-CD2 4.07Å; L548-L604 HydrophobicContact CD2-CD2 4.05Å; E600-L604 HydrophobicContact CG-CD1 4.27Å; E600-L604 WeakPolarHBondContact O-CG 3.42Å; E600-L604 PolarHBondContact O-N 3.1Å; L604-Q607 PolarHBondContact O-N 3.47Å; L604-R608 WeakPolarHBondContact O-CB 3.39Å; L604-R608 PolarHBondContact O-N 3.23Å |
| 605 | T | 86.4 | Confident | 85.9 | Confident | 86 Ų | 86 | 71.1 Ų | 71.1 | 53% | 0.528 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 174.7 | -57.4 | 0 | 0 | 0 | 0 | 111 | A601 H602 L603 Q607 R608 V609 | A601-T605 VanDerWaalsContact O-CB 3.32Å; A601-T605 WeakPolarHBondContact O-CB 3.47Å; A601-T605 PolarHBondContact O-N 2.86Å; A601-T605 PolarHBondContact O-OG1 3.32Å; H602-T605 PolarHBondContact O-N 3.1Å; L603-T605 VanDerWaalsContact C-N 3.33Å; L603-T605 PolarHBondContact O-N 2.97Å; T605-Q607 PolarHBondContact O-N 3.33Å; T605-R608 PolarHBondContact O-N 3.43Å; T605-V609 WeakPolarHBondContact O-CG2 3.38Å; T605-V609 PolarHBondContact O-N 3.43Å |
| 606 | S | 85.9 | Confident | 86.3 | Confident | 53 Ų | 53 | 70.8 Ų | 70.8 | 37% | 0.371 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 175.9 | -60.8 | 0 | 0 | 0 | 0 | 112 | H602 L603 V609 F610 | H602-S606 WeakPolarHBondContact O-CB 3.42Å; H602-S606 PolarHBondContact O-N 3.02Å; H602-S606 PolarHBondContact O-OG 3.01Å; L603-S606 PolarHBondContact O-N 3.42Å; S606-V609 PolarHBondContact O-N 3.11Å; S606-F610 WeakPolarHBondContact O-CB 3.45Å; S606-F610 PolarHBondContact O-N 2.81Å |
| 607 | Q | 88.3 | Confident | 86.6 | Confident | 16 Ų | 16 | 69.6 Ų | 69.6 | 8% | 0.075 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 174.8 | -76.6 | -173.7 | -14.1 | 0 | 0 | 111.8 | Q544 E547 L603 L604 T605 F610 Y611 | Q544-Q607 HydrophobicContact CB-CG 4.38Å; Q544-Q607 HydrophobicContact CG-CB 4.08Å; Q544-Q607 HydrophobicContact CG-CG 3.92Å; Q544-Q607 PolarHBondContact NE2-O 3.36Å; Q544-Q607 PolarHBondContact O-NE2 3.17Å; E547-Q607 PolarHBondContact OE2-NE2 2.7Å; L603-Q607 HydrophobicContact CD1-CG 4.31Å; L603-Q607 HydrophobicContact CG-CG 4.49Å; L603-Q607 WeakPolarHBondContact O-CB 3.06Å; L603-Q607 WeakPolarHBondContact O-CG 3.41Å; L603-Q607 PolarHBondContact O-N 3.14Å; L604-Q607 PolarHBondContact O-N 3.47Å; T605-Q607 PolarHBondContact O-N 3.33Å; Q607-F610 PolarHBondContact O-N 2.93Å; Q607-Y611 WeakPolarHBondContact O-CB 3.46Å; Q607-Y611 PolarHBondContact O-N 3.44Å |
| 608 | R | 87.1 | Confident | 86.9 | Confident | 170 Ų | 170 | 68.4 Ų | 68.4 | 64% | 0.642 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.8 | -50.7 | 175.4 | -176.7 | -174.4 | -66.3 | -136.5 | 1.2 | 111.6 | L604 T605 F610 Y611 E612 | L604-R608 WeakPolarHBondContact O-CB 3.39Å; L604-R608 PolarHBondContact O-N 3.23Å; T605-R608 PolarHBondContact O-N 3.43Å; R608-F610 VanDerWaalsContact C-N 3.29Å; R608-F610 PolarHBondContact O-N 2.87Å; R608-Y611 PolarHBondContact O-N 2.87Å; R608-E612 HydrophobicContact CG-CG 4.48Å; R608-E612 WeakPolarHBondContact CG-OE1 3.27Å; R608-E612 WeakPolarHBondContact O-CG 3.42Å; R608-E612 PolarHBondContact O-N 3.21Å |
| 609 | V | 86.3 | Confident | 87.2 | Confident | 75 Ų | 75 | 67.6 Ų | 67.6 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 178.3 | 174 | 0 | 0 | 0 | 0 | 111 | T605 S606 R613 | T605-V609 WeakPolarHBondContact O-CG2 3.38Å; T605-V609 PolarHBondContact O-N 3.43Å; S606-V609 PolarHBondContact O-N 3.11Å; V609-R613 WeakPolarHBondContact O-CB 3.18Å; V609-R613 PolarHBondContact O-N 2.86Å |
| 610 | F | 87.2 | Confident | 87.6 | Confident | 114 Ų | 114 | 64.9 Ų | 64.9 | 50% | 0.5 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 174.8 | -179.5 | -92.3 | 0 | 0 | 0 | 112.3 | I540 S606 Q607 R608 N614 | I540-F610 HydrophobicContact CG2-CD1 4.16Å; I540-F610 HydrophobicContact CG2-CE1 4.15Å; S606-F610 WeakPolarHBondContact O-CB 3.45Å; S606-F610 PolarHBondContact O-N 2.81Å; Q607-F610 PolarHBondContact O-N 2.93Å; R608-F610 VanDerWaalsContact C-N 3.29Å; R608-F610 PolarHBondContact O-N 2.87Å; F610-N614 WeakPolarHBondContact CD2-ND2 3.27Å; F610-N614 WeakPolarHBondContact CE1-ND2 3.42Å; F610-N614 WeakPolarHBondContact CE2-ND2 3.5Å; F610-N614 WeakPolarHBondContact CZ-ND2 3.42Å; F610-N614 WeakPolarHBondContact O-CB 3.47Å; F610-N614 PolarHBondContact O-N 3.15Å; F610-N614 PolarHBondContact O-ND2 2.68Å |
| 611 | Y | 88 | Confident | 87.8 | Confident | 62 Ų | 62 | 68 Ų | 68 | 24% | 0.243 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.3 | -51.1 | 178 | 175.4 | -93.6 | 0 | 0 | 0 | 111.3 | Q537 I540 V541 Q607 R608 R613 N614 C615 | Q537-Y611 HydrophobicContact CB-CE2 4.19Å; Q537-Y611 HydrophobicContact CG-CE2 4.22Å; Q537-Y611 WeakPolarHBondContact CG-OH 3.29Å; I540-Y611 HydrophobicContact CB-CD2 4.12Å; I540-Y611 HydrophobicContact CG2-CD2 3.71Å; I540-Y611 HydrophobicContact CG2-CG 4.49Å; V541-Y611 HydrophobicContact CG2-CD2 4.27Å; V541-Y611 HydrophobicContact CG2-CE2 3.91Å; Q607-Y611 WeakPolarHBondContact O-CB 3.46Å; Q607-Y611 PolarHBondContact O-N 3.44Å; R608-Y611 PolarHBondContact O-N 2.87Å; Y611-R613 PolarHBondContact O-N 3.18Å; Y611-N614 PolarHBondContact O-N 3.42Å; Y611-C615 VanDerWaalsContact CZ-SG 3.54Å; Y611-C615 WeakPolarHBondContact O-CB 3.5Å; Y611-C615 PolarHBondContact O-N 3.37Å; Y611-C615 PolarHBondContact O-SG 3.13Å |
| 612 | E | 86.9 | Confident | 88.1 | Confident | 85 Ų | 85 | 67.9 Ų | 67.9 | 40% | 0.397 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | -177.7 | -67.2 | 173.7 | -179.9 | 0 | 0 | 111.4 | R608 C615 R616 F887 | R608-E612 HydrophobicContact CG-CG 4.48Å; R608-E612 WeakPolarHBondContact CG-OE1 3.27Å; R608-E612 WeakPolarHBondContact O-CG 3.42Å; R608-E612 PolarHBondContact O-N 3.21Å; E612-C615 PolarHBondContact O-N 3.19Å; E612-R616 WeakPolarHBondContact O-CB 3.24Å; E612-R616 PolarHBondContact O-N 2.79Å; E612-F887 HydrophobicContact CB-CE1 3.96Å; E612-F887 HydrophobicContact CB-CZ 3.52Å |
| 613 | R | 86.9 | Confident | 88.3 | Confident | 99 Ų | 99 | 63.1 Ų | 63.1 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 175.9 | -175.1 | 177.8 | 177.9 | 176.9 | -1.5 | 112.3 | V609 Y611 R616 A617 F887 L890 | V609-R613 WeakPolarHBondContact O-CB 3.18Å; V609-R613 PolarHBondContact O-N 2.86Å; Y611-R613 PolarHBondContact O-N 3.18Å; R613-R616 PolarHBondContact O-N 3.08Å; R613-A617 WeakPolarHBondContact O-CB 3.35Å; R613-A617 PolarHBondContact O-N 2.66Å; R613-F887 HydrophobicContact CB-CD1 3.67Å; R613-F887 HydrophobicContact CB-CE1 3.87Å; R613-F887 HydrophobicContact CG-CD1 4.03Å; R613-L890 HydrophobicContact CG-CD2 4.05Å |
| 614 | N | 87.6 | Confident | 88.6 | Confident | 17 Ų | 17 | 64 Ų | 64 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.9 | -39.2 | -179.9 | -82.1 | -81.8 | 0 | 0 | 0 | 112 | F536 I540 F610 Y611 R616 A617 F618 | F536-N614 HydrophobicContact CE1-CB 4.07Å; F536-N614 HydrophobicContact CZ-CB 4.1Å; I540-N614 HydrophobicContact CD1-CB 3.67Å; F610-N614 WeakPolarHBondContact CD2-ND2 3.27Å; F610-N614 WeakPolarHBondContact CE1-ND2 3.42Å; F610-N614 WeakPolarHBondContact CE2-ND2 3.5Å; F610-N614 WeakPolarHBondContact CZ-ND2 3.42Å; F610-N614 WeakPolarHBondContact O-CB 3.47Å; F610-N614 PolarHBondContact O-N 3.15Å; F610-N614 PolarHBondContact O-ND2 2.68Å; Y611-N614 PolarHBondContact O-N 3.42Å; N614-R616 VanDerWaalsContact C-N 3.3Å; N614-R616 PolarHBondContact O-N 3.1Å; N614-A617 PolarHBondContact O-N 3.43Å; N614-F618 WeakPolarHBondContact O-CB 3.32Å; N614-F618 PolarHBondContact O-N 3.46Å |
| 615 | C | 87.9 | Confident | 88.8 | Confident | 13 Ų | 13 | 66 Ų | 66 | 9% | 0.088 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 173.7 | -70 | 0 | 0 | 0 | 0 | 111.4 | Y611 E612 F618 K619 | Y611-C615 VanDerWaalsContact CZ-SG 3.54Å; Y611-C615 WeakPolarHBondContact O-CB 3.5Å; Y611-C615 PolarHBondContact O-N 3.37Å; Y611-C615 PolarHBondContact O-SG 3.13Å; E612-C615 PolarHBondContact O-N 3.19Å; C615-F618 PolarHBondContact O-N 3.47Å; C615-K619 WeakPolarHBondContact O-CG 3.35Å; C615-K619 PolarHBondContact O-N 3.38Å |
| 616 | R | 89.1 | Confident | 89 | Confident | 42 Ų | 42 | 67.2 Ų | 67.2 | 16% | 0.158 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 175.9 | -165 | 73.5 | -177.8 | 177.8 | 3.1 | 111.8 | E612 R613 N614 F618 K619 R620 F878 S882 L890 | E612-R616 WeakPolarHBondContact O-CB 3.24Å; E612-R616 PolarHBondContact O-N 2.79Å; R613-R616 PolarHBondContact O-N 3.08Å; N614-R616 VanDerWaalsContact C-N 3.3Å; N614-R616 PolarHBondContact O-N 3.1Å; R616-F618 PolarHBondContact O-N 2.94Å; R616-K619 PolarHBondContact O-N 3.02Å; R616-R620 PolarHBondContact O-N 3.43Å; R616-F878 HydrophobicContact CG-CE1 4.12Å; R616-F878 HydrophobicContact CG-CZ 3.95Å; R616-F878 PolarHBondContact NH2-O 2.75Å; R616-F878 WeakPolarHBondContact O-CZ 3.49Å; R616-S882 PolarHBondContact NE-OG 2.9Å; R616-S882 PolarHBondContact NH2-OG 3.05Å; R616-L890 HydrophobicContact CB-CD1 4.14Å; R616-L890 HydrophobicContact CG-CD1 3.53Å |
| 617 | A | 88 | Confident | 89.5 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 5% | 0.05 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R613 N614 R620 K621 L890 L893 F895 | R613-A617 WeakPolarHBondContact O-CB 3.35Å; R613-A617 PolarHBondContact O-N 2.66Å; N614-A617 PolarHBondContact O-N 3.43Å; A617-R620 WeakPolarHBondContact O-CB 3.44Å; A617-R620 PolarHBondContact O-N 3.39Å; A617-K621 PolarHBondContact O-N 3.25Å; A617-L890 HydrophobicContact CB-CD2 4.4Å; A617-L893 HydrophobicContact CB-CD1 3.6Å; A617-F895 HydrophobicContact CB-CZ 4.2Å |
| 618 | F | 89.9 | Confident | 89.7 | Confident | 30 Ų | 30 | 68.4 Ų | 68.4 | 13% | 0.132 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.5 | -45 | 175.1 | -175 | -91 | 0 | 0 | 0 | 111.8 | D532 E533 F536 N614 C615 R616 R620 K621 V622 | D532-F618 HydrophobicContact CB-CZ 3.97Å; E533-F618 VanDerWaalsContact CA-CE1 3.44Å; E533-F618 HydrophobicContact CB-CD1 4.21Å; E533-F618 HydrophobicContact CB-CE1 3.68Å; E533-F618 HydrophobicContact CG-CD1 4.14Å; E533-F618 HydrophobicContact CG-CE1 4.13Å; F536-F618 HydrophobicContact CB-CD2 4.31Å; F536-F618 HydrophobicContact CB-CE2 4.25Å; F536-F618 HydrophobicContact CD1-CB 3.89Å; F536-F618 AromaticContact CD1-CD2 3.91Å; F536-F618 HydrophobicContact CD1-CD2 3.91Å; F536-F618 AromaticContact CD1-CG 3.88Å; F536-F618 HydrophobicContact CD1-CG 3.88Å; F536-F618 HydrophobicContact CD2-CD2 4.24Å; F536-F618 HydrophobicContact CE1-CB 3.75Å; F536-F618 HydrophobicContact CE1-CD2 4.25Å; F536-F618 HydrophobicContact CE1-CG 4.2Å; F536-F618 AromaticContact CG-CD2 3.89Å; F536-F618 HydrophobicContact CG-CD2 3.89Å; F536-F618 HydrophobicContact CG-CE2 4.28Å; F536-F618 HydrophobicContact CG-CG 4.3Å; F536-F618 HydrophobicContact CZ-CB 4.47Å; N614-F618 WeakPolarHBondContact O-CB 3.32Å; N614-F618 PolarHBondContact O-N 3.46Å; C615-F618 PolarHBondContact O-N 3.47Å; R616-F618 PolarHBondContact O-N 2.94Å; F618-R620 VanDerWaalsContact C-N 3.31Å; F618-R620 PolarHBondContact O-N 2.92Å; F618-K621 WeakPolarHBondContact O-CB 3.4Å; F618-K621 PolarHBondContact O-N 2.96Å; F618-K621 VanDerWaalsContact O-N 3.12Å; F618-V622 HydrophobicContact CD1-CG2 3.94Å; F618-V622 HydrophobicContact CE1-CG2 3.49Å; F618-V622 VanDerWaalsContact CE1-CG2 3.49Å; F618-V622 HydrophobicContact CZ-CG2 3.93Å; F618-V622 WeakPolarHBondContact O-CG2 3.47Å; F618-V622 PolarHBondContact O-N 3.08Å |
| 619 | K | 90.3 | Very high | 90 | Very high | 94 Ų | 94 | 61.7 Ų | 61.7 | 41% | 0.409 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.3 | -39.9 | 174.9 | -75.7 | 178.2 | 179.8 | -177.6 | 0 | 112.5 | E533 C615 R616 V622 M623 F878 | E533-K619 WeakPolarHBondContact OE1-CE 3.4Å; E533-K619 IonicContact OE1-NZ 3.9Å; C615-K619 WeakPolarHBondContact O-CG 3.35Å; C615-K619 PolarHBondContact O-N 3.38Å; R616-K619 PolarHBondContact O-N 3.02Å; K619-V622 PolarHBondContact O-N 3.25Å; K619-M623 WeakPolarHBondContact O-CB 3.49Å; K619-M623 PolarHBondContact O-N 3.04Å; K619-F878 HydrophobicContact CB-CE2 4.21Å; K619-F878 HydrophobicContact CB-CZ 3.93Å |
| 620 | R | 91.2 | Very high | 90.3 | Very high | 45 Ų | 45 | 60 Ų | 60 | 17% | 0.17 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 173.2 | -161.5 | -179.8 | -177.6 | -83.3 | -2.9 | 111.6 | R616 A617 F618 M623 I624 F878 D879 | R616-R620 PolarHBondContact O-N 3.43Å; A617-R620 WeakPolarHBondContact O-CB 3.44Å; A617-R620 PolarHBondContact O-N 3.39Å; F618-R620 VanDerWaalsContact C-N 3.31Å; F618-R620 PolarHBondContact O-N 2.92Å; R620-M623 WeakPolarHBondContact O-CB 3.22Å; R620-M623 PolarHBondContact O-N 3.38Å; R620-I624 WeakPolarHBondContact O-CG1 3.35Å; R620-I624 PolarHBondContact O-N 3.28Å; R620-F878 HydrophobicContact CB-CD1 4.2Å; R620-F878 HydrophobicContact CB-CE1 3.59Å; R620-F878 HydrophobicContact CB-CZ 4.19Å; R620-F878 HydrophobicContact CG-CD1 4.01Å; R620-F878 HydrophobicContact CG-CE1 3.91Å; R620-D879 WeakPolarHBondContact CD-OD1 3.37Å; R620-D879 IonicContact CZ-OD1 2.66Å; R620-D879 IonicContact CZ-OD2 2.63Å; R620-D879 IonicContact NE-OD1 3.3Å; R620-D879 PolarHBondContact NE-OD1 3.06Å; R620-D879 IonicContact NE-OD2 2.96Å; R620-D879 PolarHBondContact NE-OD2 2.84Å; R620-D879 VanDerWaalsContact NE-OD2 3.12Å; R620-D879 IonicContact NH2-OD1 2.86Å; R620-D879 IonicContact NH2-OD2 3.23Å; R620-D879 PolarHBondContact NH2-OD2 3.27Å |
| 621 | K | 90.5 | Very high | 90.7 | Very high | 127 Ų | 127 | 56.5 Ų | 56.5 | 55% | 0.552 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.7 | -43 | 177.9 | -172.6 | 178.4 | -179.7 | 179.2 | 0 | 112.4 | A617 F618 M623 I624 K625 | A617-K621 PolarHBondContact O-N 3.25Å; F618-K621 WeakPolarHBondContact O-CB 3.4Å; F618-K621 PolarHBondContact O-N 2.96Å; F618-K621 VanDerWaalsContact O-N 3.12Å; K621-M623 VanDerWaalsContact C-N 3.34Å; K621-I624 PolarHBondContact O-N 3.06Å; K621-K625 PolarHBondContact O-N 2.6Å |
| 622 | V | 91.3 | Very high | 91 | Very high | 47 Ų | 47 | 60.2 Ų | 60.2 | 29% | 0.285 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 174.9 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | A529 F618 K619 K625 R626 | A529-V622 HydrophobicContact CB-CG1 3.7Å; A529-V622 HydrophobicContact CB-CG2 4.49Å; F618-V622 HydrophobicContact CD1-CG2 3.94Å; F618-V622 HydrophobicContact CE1-CG2 3.49Å; F618-V622 VanDerWaalsContact CE1-CG2 3.49Å; F618-V622 HydrophobicContact CZ-CG2 3.93Å; F618-V622 WeakPolarHBondContact O-CG2 3.47Å; F618-V622 PolarHBondContact O-N 3.08Å; K619-V622 PolarHBondContact O-N 3.25Å; V622-K625 PolarHBondContact O-N 3.4Å; V622-R626 PolarHBondContact O-N 3.35Å |
| 623 | M | 91.7 | Very high | 91.3 | Very high | 33 Ų | 33 | 57.7 Ų | 57.7 | 16% | 0.163 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 176.1 | -178.4 | -175.8 | -66.8 | 0 | 0 | 111.8 | K619 R620 K621 K625 R626 H627 I875 F878 | K619-M623 WeakPolarHBondContact O-CB 3.49Å; K619-M623 PolarHBondContact O-N 3.04Å; R620-M623 WeakPolarHBondContact O-CB 3.22Å; R620-M623 PolarHBondContact O-N 3.38Å; K621-M623 VanDerWaalsContact C-N 3.34Å; M623-K625 PolarHBondContact O-N 2.93Å; M623-R626 WeakPolarHBondContact O-CB 3.34Å; M623-R626 PolarHBondContact O-N 3.08Å; M623-H627 PolarHBondContact O-N 3.42Å; M623-I875 HydrophobicContact SD-CG1 4.44Å; M623-F878 HydrophobicContact CE-CB 3.96Å; M623-F878 HydrophobicContact CE-CD2 3.45Å; M623-F878 VanDerWaalsContact CE-CD2 3.45Å; M623-F878 HydrophobicContact CE-CE2 4.14Å; M623-F878 HydrophobicContact CE-CG 3.83Å; M623-F878 HydrophobicContact SD-CB 4.22Å; M623-F878 HydrophobicContact SD-CG 4.4Å |
| 624 | I | 92.1 | Very high | 91.7 | Very high | 57 Ų | 57 | 54 Ų | 54 | 29% | 0.292 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.6 | -45.7 | 177.1 | -66.3 | 167.5 | 0 | 0 | 0 | 110.7 | R620 K621 R626 H627 D628 | R620-I624 WeakPolarHBondContact O-CG1 3.35Å; R620-I624 PolarHBondContact O-N 3.28Å; K621-I624 PolarHBondContact O-N 3.06Å; I624-R626 VanDerWaalsContact C-N 3.26Å; I624-R626 PolarHBondContact O-N 3.43Å; I624-H627 WeakPolarHBondContact O-CA 3.48Å; I624-H627 WeakPolarHBondContact O-CB 3.48Å; I624-H627 PolarHBondContact O-N 2.94Å; I624-D628 PolarHBondContact O-N 3.48Å |
| 625 | K | 91.6 | Very high | 91.9 | Very high | 116 Ų | 116 | 59.7 Ų | 59.7 | 50% | 0.504 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59 | -38.2 | 176.9 | -164.9 | -168.4 | -178.3 | -152.9 | 0 | 112.1 | E525 K621 V622 M623 M629 | E525-K625 IonicContact OE2-NZ 3.82Å; E525-K625 PolarHBondContact OE2-NZ 2.83Å; K621-K625 PolarHBondContact O-N 2.6Å; V622-K625 PolarHBondContact O-N 3.4Å; M623-K625 PolarHBondContact O-N 2.93Å; K625-M629 PolarHBondContact O-N 3.21Å; K625-M629 VanDerWaalsContact O-N 3.16Å |
| 626 | R | 92.4 | Very high | 92.3 | Very high | 110 Ų | 110 | 63 Ų | 63 | 42% | 0.415 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 173.5 | -178.1 | -172.3 | 71.2 | -178.8 | 4.9 | 111.1 | V622 M623 I624 M629 E630 E874 | V622-R626 PolarHBondContact O-N 3.35Å; M623-R626 WeakPolarHBondContact O-CB 3.34Å; M623-R626 PolarHBondContact O-N 3.08Å; I624-R626 VanDerWaalsContact C-N 3.26Å; I624-R626 PolarHBondContact O-N 3.43Å; R626-M629 PolarHBondContact O-N 2.89Å; R626-E630 WeakPolarHBondContact O-CG 3.38Å; R626-E630 PolarHBondContact O-N 3.39Å; R626-E874 IonicContact NH2-OE2 3.38Å; R626-E874 PolarHBondContact NH2-OE2 3.29Å |
| 627 | H | 94.7 | Very high | 92.5 | Very high | 5 Ų | 5 | 64 Ų | 64 | 2% | 0.023 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 177.9 | -69.2 | 168.9 | 0 | 0 | 0 | 112.3 | M623 I624 M629 E630 Q631 Q871 E874 | M623-H627 PolarHBondContact O-N 3.42Å; I624-H627 WeakPolarHBondContact O-CA 3.48Å; I624-H627 WeakPolarHBondContact O-CB 3.48Å; I624-H627 PolarHBondContact O-N 2.94Å; H627-M629 PolarHBondContact O-N 3.18Å; H627-E630 IonicContact CD2-OE2 2.68Å; H627-E630 PolarHBondContact O-N 2.81Å; H627-Q631 WeakPolarHBondContact O-CG 3.35Å; H627-Q631 PolarHBondContact O-N 2.89Å; H627-Q871 VanDerWaalsContact CA-NE2 3.28Å; H627-Q871 VanDerWaalsContact CB-CD 3.48Å; H627-Q871 HydrophobicContact CB-CG 4.05Å; H627-Q871 PolarHBondContact O-NE2 2.86Å; H627-E874 IonicContact CD2-OE2 2.8Å; H627-E874 IonicContact CE1-OE2 3.18Å; H627-E874 IonicContact NE2-OE2 3.62Å; H627-E874 PolarHBondContact NE2-OE2 3.42Å |
| 628 | D | 93.1 | Very high | 92.7 | Very high | 89 Ų | 89 | 64.1 Ų | 64.1 | 48% | 0.476 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 176.3 | -68.4 | -27.3 | 0 | 0 | 0 | 111.6 | I624 Q631 E632 | I624-D628 PolarHBondContact O-N 3.48Å; D628-Q631 WeakPolarHBondContact O-CB 3.45Å; D628-Q631 PolarHBondContact O-N 3.4Å; D628-E632 PolarHBondContact O-N 3.42Å |
| 629 | M | 93.5 | Very high | 92.9 | Very high | 29 Ų | 29 | 66.4 Ų | 66.4 | 14% | 0.143 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 176 | -177.1 | -167.3 | 69.9 | 0 | 0 | 112 | Q521 T522 E525 K625 R626 H627 Q631 E632 Q633 | Q521-M629 HydrophobicContact CG-SD 4.35Å; T522-M629 HydrophobicContact CG2-CE 4.08Å; E525-M629 HydrophobicContact CB-SD 4Å; E525-M629 HydrophobicContact CG-SD 3.68Å; K625-M629 PolarHBondContact O-N 3.21Å; K625-M629 VanDerWaalsContact O-N 3.16Å; R626-M629 PolarHBondContact O-N 2.89Å; H627-M629 PolarHBondContact O-N 3.18Å; M629-Q631 VanDerWaalsContact C-N 3.3Å; M629-Q631 PolarHBondContact O-N 3.47Å; M629-E632 PolarHBondContact O-N 2.9Å; M629-Q633 WeakPolarHBondContact O-CG 3.33Å; M629-Q633 PolarHBondContact O-N 3.3Å |
| 630 | E | 93.6 | Very high | 93.1 | Very high | 40 Ų | 40 | 64.8 Ų | 64.8 | 19% | 0.187 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 175.4 | -73.2 | 178.7 | 159.2 | 0 | 0 | 111.8 | R626 H627 E632 Q633 I634 L867 R870 Q871 | R626-E630 WeakPolarHBondContact O-CG 3.38Å; R626-E630 PolarHBondContact O-N 3.39Å; H627-E630 IonicContact CD2-OE2 2.68Å; H627-E630 PolarHBondContact O-N 2.81Å; E630-E632 VanDerWaalsContact C-N 3.34Å; E630-Q633 PolarHBondContact O-N 3.37Å; E630-I634 PolarHBondContact O-N 3.18Å; E630-L867 HydrophobicContact CB-CD1 4.38Å; E630-L867 HydrophobicContact CB-CD2 4.49Å; E630-R870 IonicContact OE1-NH2 3.12Å; E630-R870 PolarHBondContact OE1-NH2 3.31Å; E630-R870 IonicContact OE2-CZ 2.74Å; E630-R870 IonicContact OE2-NH2 3.36Å; E630-R870 PolarHBondContact OE2-NH2 3.03Å; E630-Q871 PolarHBondContact OE2-NE2 3.25Å |
| 631 | Q | 94.6 | Very high | 93.1 | Very high | 41 Ų | 41 | 65.8 Ų | 65.8 | 19% | 0.192 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.9 | -35.8 | 175 | -71.4 | -178.2 | 30.5 | 0 | 0 | 112.2 | H627 D628 M629 I634 R635 L867 | H627-Q631 WeakPolarHBondContact O-CG 3.35Å; H627-Q631 PolarHBondContact O-N 2.89Å; D628-Q631 WeakPolarHBondContact O-CB 3.45Å; D628-Q631 PolarHBondContact O-N 3.4Å; M629-Q631 VanDerWaalsContact C-N 3.3Å; M629-Q631 PolarHBondContact O-N 3.47Å; Q631-I634 WeakPolarHBondContact O-CG2 3.22Å; Q631-R635 WeakPolarHBondContact O-CB 3.29Å; Q631-R635 WeakPolarHBondContact O-CD 3.45Å; Q631-R635 WeakPolarHBondContact O-CG 3.38Å; Q631-R635 PolarHBondContact O-N 2.92Å; Q631-L867 HydrophobicContact CB-CD2 4.34Å; Q631-L867 HydrophobicContact CG-CD2 3.78Å |
| 632 | E | 94.2 | Very high | 93.2 | Very high | 140 Ų | 140 | 63.6 Ų | 63.6 | 65% | 0.654 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -70.3 | -43.7 | 175.9 | -169.4 | 164.2 | -153.3 | 0 | 0 | 111.5 | D628 M629 E630 I634 R635 E636 | D628-E632 PolarHBondContact O-N 3.42Å; M629-E632 PolarHBondContact O-N 2.9Å; E630-E632 VanDerWaalsContact C-N 3.34Å; E632-I634 PolarHBondContact O-N 3.42Å; E632-R635 PolarHBondContact O-N 2.89Å; E632-E636 PolarHBondContact O-N 3.18Å |
| 633 | Q | 93.9 | Very high | 93.3 | Very high | 32 Ų | 32 | 64.2 Ų | 64.2 | 15% | 0.15 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.3 | -46.3 | 176.1 | -72.3 | 178.1 | -5.3 | 0 | 0 | 111.9 | H518 T522 M629 E630 R635 E636 E637 | H518-Q633 HydrophobicContact CB-CG 4.35Å; H518-Q633 PolarHBondContact CE1-O 2.88Å; H518-Q633 VanDerWaalsContact CE1-O 3.24Å; T522-Q633 PolarHBondContact OG1-NE2 2.94Å; T522-Q633 PolarHBondContact OG1-OE1 3.35Å; M629-Q633 WeakPolarHBondContact O-CG 3.33Å; M629-Q633 PolarHBondContact O-N 3.3Å; E630-Q633 PolarHBondContact O-N 3.37Å; Q633-R635 VanDerWaalsContact C-N 3.31Å; Q633-R635 PolarHBondContact O-N 2.88Å; Q633-E636 PolarHBondContact O-N 3.38Å; Q633-E637 PolarHBondContact O-N 2.84Å |
| 634 | I | 93.8 | Very high | 93.4 | Very high | 21 Ų | 21 | 63.8 Ų | 63.8 | 11% | 0.108 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.9 | -35.4 | 179.1 | -150 | 168.5 | 0 | 0 | 0 | 111.7 | E630 Q631 E632 L638 R863 L867 | E630-I634 PolarHBondContact O-N 3.18Å; Q631-I634 WeakPolarHBondContact O-CG2 3.22Å; E632-I634 PolarHBondContact O-N 3.42Å; I634-L638 HydrophobicContact CG1-CD1 4.15Å; I634-L638 WeakPolarHBondContact O-CB 3.32Å; I634-L638 WeakPolarHBondContact O-CD1 3.48Å; I634-L638 WeakPolarHBondContact O-CG 3.36Å; I634-L638 PolarHBondContact O-N 3.22Å; I634-R863 HydrophobicContact CD1-CG 3.46Å; I634-R863 VanDerWaalsContact CD1-CG 3.46Å; I634-R863 HydrophobicContact CG1-CG 4.06Å; I634-L867 HydrophobicContact CB-CD2 4.31Å; I634-L867 HydrophobicContact CD1-CB 4.27Å; I634-L867 HydrophobicContact CD1-CD2 4.08Å; I634-L867 HydrophobicContact CG2-CD2 3.74Å |
| 635 | R | 93.4 | Very high | 93.4 | Very high | 137 Ų | 137 | 63.7 Ų | 63.7 | 52% | 0.517 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 174.6 | -75 | 172.8 | -168.3 | 177.1 | 8.8 | 111.2 | Q631 E632 Q633 N639 | Q631-R635 WeakPolarHBondContact O-CB 3.29Å; Q631-R635 WeakPolarHBondContact O-CD 3.45Å; Q631-R635 WeakPolarHBondContact O-CG 3.38Å; Q631-R635 PolarHBondContact O-N 2.92Å; E632-R635 PolarHBondContact O-N 2.89Å; Q633-R635 VanDerWaalsContact C-N 3.31Å; Q633-R635 PolarHBondContact O-N 2.88Å; R635-N639 VanDerWaalsContact O-CB 3.31Å; R635-N639 WeakPolarHBondContact O-CB 3.39Å; R635-N639 PolarHBondContact O-N 3.21Å; R635-N639 PolarHBondContact O-ND2 2.87Å |
| 636 | E | 94.5 | Very high | 93.5 | Very high | 82 Ų | 82 | 62 Ų | 62 | 38% | 0.383 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 176.7 | -164 | -174.5 | -180 | 0 | 0 | 111.4 | L514 R517 H518 E632 Q633 N639 K640 | L514-E636 VanDerWaalsContact CD1-CD 3.49Å; L514-E636 HydrophobicContact CD1-CG 4.02Å; L514-E636 WeakPolarHBondContact CD1-OE1 3.44Å; R517-E636 IonicContact NH1-OE1 2.7Å; R517-E636 IonicContact NH2-OE1 2.95Å; H518-E636 IonicContact CD2-OE2 2.64Å; H518-E636 IonicContact CE1-OE2 2.99Å; H518-E636 IonicContact NE2-OE2 3.87Å; H518-E636 PolarHBondContact NE2-OE2 3.41Å; E632-E636 PolarHBondContact O-N 3.18Å; Q633-E636 PolarHBondContact O-N 3.38Å; E636-N639 PolarHBondContact O-N 2.83Å; E636-K640 WeakPolarHBondContact O-CB 3.17Å; E636-K640 PolarHBondContact O-N 3.45Å |
| 637 | E | 93.7 | Very high | 93.5 | Very high | 63 Ų | 63 | 62.2 Ų | 62.2 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59 | -50.2 | 176 | -170.2 | -168.4 | 159.3 | 0 | 0 | 111.5 | L514 Q633 N639 K640 K641 R863 | L514-E637 HydrophobicContact CD2-CB 4.43Å; Q633-E637 PolarHBondContact O-N 2.84Å; E637-N639 PolarHBondContact O-N 2.86Å; E637-K640 PolarHBondContact O-N 2.96Å; E637-K641 WeakPolarHBondContact O-CB 3.34Å; E637-K641 PolarHBondContact O-N 2.78Å; E637-R863 VanDerWaalsContact CD-NH2 3.29Å; E637-R863 IonicContact OE1-CZ 2.76Å; E637-R863 IonicContact OE1-NH1 2.77Å; E637-R863 IonicContact OE1-NH2 2.8Å; E637-R863 PolarHBondContact OE1-NH2 3.4Å; E637-R863 IonicContact OE2-NH2 3.79Å; E637-R863 PolarHBondContact OE2-NH2 2.83Å |
| 638 | L | 93.5 | Very high | 93.5 | Very high | 9 Ų | 9 | 65.2 Ų | 65.2 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.6 | -38.8 | -179.7 | -69.9 | 166.6 | 0 | 0 | 0 | 112 | I634 K641 K642 R860 I864 | I634-L638 HydrophobicContact CG1-CD1 4.15Å; I634-L638 WeakPolarHBondContact O-CB 3.32Å; I634-L638 WeakPolarHBondContact O-CD1 3.48Å; I634-L638 WeakPolarHBondContact O-CG 3.36Å; I634-L638 PolarHBondContact O-N 3.22Å; L638-K641 PolarHBondContact O-N 2.85Å; L638-K642 WeakPolarHBondContact O-CB 3.3Å; L638-K642 PolarHBondContact O-N 2.95Å; L638-R860 HydrophobicContact CB-CG 4.4Å; L638-R860 HydrophobicContact CD1-CG 3.94Å; L638-R860 HydrophobicContact CD2-CB 4.41Å; L638-R860 HydrophobicContact CD2-CG 4.49Å; L638-I864 HydrophobicContact CD1-CD1 4.25Å; L638-I864 HydrophobicContact CD1-CG1 3.98Å |
| 639 | N | 93.5 | Very high | 93.6 | Very high | 78 Ų | 78 | 61.5 Ų | 61.5 | 42% | 0.417 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 175.1 | -74.4 | -19.3 | 0 | 0 | 0 | 111.7 | R635 E636 E637 K642 T643 | R635-N639 VanDerWaalsContact O-CB 3.31Å; R635-N639 WeakPolarHBondContact O-CB 3.39Å; R635-N639 PolarHBondContact O-N 3.21Å; R635-N639 PolarHBondContact O-ND2 2.87Å; E636-N639 PolarHBondContact O-N 2.83Å; E637-N639 PolarHBondContact O-N 2.86Å; N639-K642 WeakPolarHBondContact O-CB 3.44Å; N639-K642 PolarHBondContact O-N 2.7Å; N639-T643 PolarHBondContact O-N 2.8Å; N639-T643 PolarHBondContact O-OG1 2.95Å |
| 640 | K | 93.9 | Very high | 93.6 | Very high | 60 Ų | 60 | 62.5 Ų | 62.5 | 26% | 0.261 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 175.9 | -169 | 67.8 | 171.7 | -169.5 | 0 | 111 | E510 L511 L514 E636 E637 K642 T643 Q644 | E510-K640 IonicContact OE2-NZ 3.59Å; E510-K640 PolarHBondContact OE2-NZ 2.89Å; L511-K640 HydrophobicContact CD2-CG 4.19Å; L514-K640 HydrophobicContact CD2-CB 3.86Å; L514-K640 HydrophobicContact CD2-CG 4.14Å; E636-K640 WeakPolarHBondContact O-CB 3.17Å; E636-K640 PolarHBondContact O-N 3.45Å; E637-K640 PolarHBondContact O-N 2.96Å; K640-K642 VanDerWaalsContact C-N 3.33Å; K640-K642 PolarHBondContact O-N 3.48Å; K640-T643 PolarHBondContact O-N 3.01Å; K640-T643 PolarHBondContact O-OG1 3.37Å; K640-Q644 WeakPolarHBondContact O-CG 3.39Å; K640-Q644 PolarHBondContact O-N 3.34Å |
| 641 | K | 92.3 | Very high | 93.7 | Very high | 66 Ų | 66 | 61.2 Ų | 61.2 | 29% | 0.287 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 174.6 | -164.3 | -179.3 | -171.5 | -172.1 | 0 | 112 | E637 L638 Q644 K645 L856 E859 | E637-K641 WeakPolarHBondContact O-CB 3.34Å; E637-K641 PolarHBondContact O-N 2.78Å; L638-K641 PolarHBondContact O-N 2.85Å; K641-Q644 PolarHBondContact O-N 2.94Å; K641-K645 PolarHBondContact O-N 3.18Å; K641-L856 HydrophobicContact CD-CD1 3.95Å; K641-L856 HydrophobicContact CG-CD1 4.12Å; K641-E859 IonicContact NZ-OE1 2.74Å; K641-E859 PolarHBondContact NZ-OE1 2.8Å; K641-E859 IonicContact NZ-OE2 3.98Å; K641-E859 PolarHBondContact NZ-OE2 2.68Å |
| 642 | K | 92.9 | Very high | 93.8 | Very high | 80 Ų | 80 | 61.5 Ų | 61.5 | 35% | 0.348 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.1 | -53.6 | 174.8 | -172.5 | -174.5 | -174.3 | -109.7 | 0 | 112.1 | L638 N639 K640 Q644 K645 E646 L856 | L638-K642 WeakPolarHBondContact O-CB 3.3Å; L638-K642 PolarHBondContact O-N 2.95Å; N639-K642 WeakPolarHBondContact O-CB 3.44Å; N639-K642 PolarHBondContact O-N 2.7Å; K640-K642 VanDerWaalsContact C-N 3.33Å; K640-K642 PolarHBondContact O-N 3.48Å; K642-Q644 VanDerWaalsContact C-N 3.28Å; K642-Q644 PolarHBondContact O-N 3.43Å; K642-K645 PolarHBondContact O-N 3.08Å; K642-K645 VanDerWaalsContact O-N 3.13Å; K642-E646 WeakPolarHBondContact CE-OE1 3.13Å; K642-E646 IonicContact NZ-OE1 3.71Å; K642-E646 PolarHBondContact NZ-OE1 3.47Å; K642-E646 WeakPolarHBondContact O-CG 3.31Å; K642-E646 PolarHBondContact O-N 3Å; K642-L856 HydrophobicContact CB-CD2 4.11Å; K642-L856 HydrophobicContact CG-CD2 4.13Å |
| 643 | T | 93.1 | Very high | 93.8 | Very high | 60 Ų | 60 | 57.1 Ų | 57.1 | 37% | 0.368 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.9 | -37 | 179.1 | 53.3 | 0 | 0 | 0 | 0 | 113.1 | N639 K640 E646 M647 | N639-T643 PolarHBondContact O-N 2.8Å; N639-T643 PolarHBondContact O-OG1 2.95Å; K640-T643 PolarHBondContact O-N 3.01Å; K640-T643 PolarHBondContact O-OG1 3.37Å; T643-E646 PolarHBondContact O-N 2.94Å; T643-M647 WeakPolarHBondContact O-CG 3.38Å; T643-M647 PolarHBondContact O-N 3Å |
| 644 | Q | 93.1 | Very high | 93.9 | Very high | 24 Ų | 24 | 63.3 Ų | 63.3 | 11% | 0.112 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 174.8 | -74.1 | 178.1 | -9.4 | 0 | 0 | 112.2 | A507 L511 K640 K641 K642 M647 E648 | A507-Q644 HydrophobicContact CB-CG 4.22Å; A507-Q644 PolarHBondContact O-NE2 3.38Å; L511-Q644 VanDerWaalsContact CD1-OE1 3.31Å; K640-Q644 WeakPolarHBondContact O-CG 3.39Å; K640-Q644 PolarHBondContact O-N 3.34Å; K641-Q644 PolarHBondContact O-N 2.94Å; K642-Q644 VanDerWaalsContact C-N 3.28Å; K642-Q644 PolarHBondContact O-N 3.43Å; Q644-M647 PolarHBondContact O-N 3Å; Q644-E648 PolarHBondContact O-N 3.15Å |
| 645 | K | 92.4 | Very high | 94.1 | Very high | 55 Ų | 55 | 63.1 Ų | 63.1 | 24% | 0.239 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 176.3 | -90.4 | -72.1 | 172.7 | -168.8 | 0 | 112.7 | K641 K642 M647 E648 H649 E852 L856 | K641-K645 PolarHBondContact O-N 3.18Å; K642-K645 PolarHBondContact O-N 3.08Å; K642-K645 VanDerWaalsContact O-N 3.13Å; K645-M647 VanDerWaalsContact C-N 3.31Å; K645-M647 PolarHBondContact O-N 3.33Å; K645-E648 WeakPolarHBondContact CD-OE2 3.41Å; K645-E648 VanDerWaalsContact CE-OE2 3.23Å; K645-E648 WeakPolarHBondContact CE-OE2 3.32Å; K645-E648 VanDerWaalsContact NZ-CD 3.32Å; K645-E648 IonicContact NZ-OE1 3.58Å; K645-E648 PolarHBondContact NZ-OE1 3.41Å; K645-E648 IonicContact NZ-OE2 3.94Å; K645-E648 PolarHBondContact NZ-OE2 2.93Å; K645-E648 WeakPolarHBondContact O-CB 3.38Å; K645-E648 PolarHBondContact O-N 2.92Å; K645-H649 VanDerWaalsContact O-CG 3.28Å; K645-H649 PolarHBondContact O-N 3.41Å; K645-E852 IonicContact NZ-OE1 3.73Å; K645-E852 IonicContact NZ-OE2 3.51Å; K645-E852 PolarHBondContact NZ-OE2 3.47Å; K645-L856 HydrophobicContact CB-CD2 4.33Å |
| 646 | E | 92.8 | Very high | 94.2 | Very high | 80 Ų | 80 | 57 Ų | 57 | 37% | 0.374 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.9 | -40.1 | 173.8 | -72.3 | 170.5 | 168.9 | 0 | 0 | 112 | K642 T643 H649 A650 | K642-E646 WeakPolarHBondContact CE-OE1 3.13Å; K642-E646 IonicContact NZ-OE1 3.71Å; K642-E646 PolarHBondContact NZ-OE1 3.47Å; K642-E646 WeakPolarHBondContact O-CG 3.31Å; K642-E646 PolarHBondContact O-N 3Å; T643-E646 PolarHBondContact O-N 2.94Å; E646-H649 PolarHBondContact O-N 3.12Å; E646-A650 WeakPolarHBondContact O-CB 3.39Å; E646-A650 PolarHBondContact O-N 3.22Å |
| 647 | M | 93.2 | Very high | 94.2 | Very high | 115 Ų | 115 | 57 Ų | 57 | 57% | 0.567 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -65.5 | -40.1 | 174.5 | -73.3 | -179.8 | 178.3 | 0 | 0 | 112.7 | T643 Q644 K645 M651 | T643-M647 WeakPolarHBondContact O-CG 3.38Å; T643-M647 PolarHBondContact O-N 3Å; Q644-M647 PolarHBondContact O-N 3Å; K645-M647 VanDerWaalsContact C-N 3.31Å; K645-M647 PolarHBondContact O-N 3.33Å; M647-M651 VanDerWaalsContact O-CB 3.3Å; M647-M651 WeakPolarHBondContact O-CB 3.46Å; M647-M651 PolarHBondContact O-N 2.91Å |
| 648 | E | 93.9 | Very high | 94.4 | Very high | 69 Ų | 69 | 56.1 Ų | 56.1 | 32% | 0.322 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 175.3 | -173.1 | -173.8 | 165.7 | 0 | 0 | 111.2 | Q644 K645 M651 L652 | Q644-E648 PolarHBondContact O-N 3.15Å; K645-E648 WeakPolarHBondContact CD-OE2 3.41Å; K645-E648 VanDerWaalsContact CE-OE2 3.23Å; K645-E648 WeakPolarHBondContact CE-OE2 3.32Å; K645-E648 VanDerWaalsContact NZ-CD 3.32Å; K645-E648 IonicContact NZ-OE1 3.58Å; K645-E648 PolarHBondContact NZ-OE1 3.41Å; K645-E648 IonicContact NZ-OE2 3.94Å; K645-E648 PolarHBondContact NZ-OE2 2.93Å; K645-E648 WeakPolarHBondContact O-CB 3.38Å; K645-E648 PolarHBondContact O-N 2.92Å; E648-M651 WeakPolarHBondContact O-CB 3.21Å; E648-M651 PolarHBondContact O-N 2.65Å; E648-L652 HydrophobicContact CG-CD1 4.49Å; E648-L652 WeakPolarHBondContact O-CG 3.44Å; E648-L652 PolarHBondContact O-N 3.11Å |
| 649 | H | 94.9 | Very high | 94.5 | Very high | 11 Ų | 11 | 57.3 Ų | 57.3 | 5% | 0.051 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 177.2 | -64 | 165.4 | 0 | 0 | 0 | 112.2 | K645 E646 M651 L652 I653 I849 E852 | K645-H649 VanDerWaalsContact O-CG 3.28Å; K645-H649 PolarHBondContact O-N 3.41Å; E646-H649 PolarHBondContact O-N 3.12Å; H649-M651 PolarHBondContact O-N 2.88Å; H649-L652 PolarHBondContact O-N 2.93Å; H649-I653 WeakPolarHBondContact O-CG1 3.38Å; H649-I653 PolarHBondContact O-N 3.48Å; H649-I849 HydrophobicContact CB-CD1 4.14Å; H649-I849 HydrophobicContact CB-CG1 4.14Å; H649-I849 HydrophobicContact CB-CG2 4.36Å; H649-E852 IonicContact CD2-OE2 2.74Å; H649-E852 IonicContact CE1-OE2 3.99Å; H649-E852 IonicContact NE2-OE2 3Å; H649-E852 PolarHBondContact NE2-OE2 2.89Å |
| 650 | A | 95.3 | Very high | 94.7 | Very high | 50 Ų | 50 | 56.2 Ų | 56.2 | 41% | 0.413 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.8 | -34.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E646 R654 | E646-A650 WeakPolarHBondContact O-CB 3.39Å; E646-A650 PolarHBondContact O-N 3.22Å; A650-R654 WeakPolarHBondContact O-CG 3.32Å; A650-R654 PolarHBondContact O-N 2.81Å |
| 651 | M | 95.6 | Very high | 94.8 | Very high | 13 Ų | 13 | 58.9 Ų | 58.9 | 6% | 0.064 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.3 | -47.5 | 174.6 | 177.4 | -179 | -171.9 | 0 | 0 | 112.4 | E499 V500 Q503 M647 E648 H649 I653 R654 H655 | E499-M651 HydrophobicContact CB-CE 3.25Å; E499-M651 WeakPolarHBondContact O-CE 3.34Å; V500-M651 HydrophobicContact CB-CE 4.42Å; V500-M651 HydrophobicContact CG2-CE 3.93Å; V500-M651 VanDerWaalsContact N-CE 3.26Å; Q503-M651 HydrophobicContact CB-CE 4.44Å; Q503-M651 HydrophobicContact CB-SD 3.83Å; Q503-M651 HydrophobicContact CG-SD 4Å; M647-M651 VanDerWaalsContact O-CB 3.3Å; M647-M651 WeakPolarHBondContact O-CB 3.46Å; M647-M651 PolarHBondContact O-N 2.91Å; E648-M651 WeakPolarHBondContact O-CB 3.21Å; E648-M651 PolarHBondContact O-N 2.65Å; H649-M651 PolarHBondContact O-N 2.88Å; M651-I653 VanDerWaalsContact C-N 3.27Å; M651-I653 PolarHBondContact O-N 3.19Å; M651-R654 PolarHBondContact O-N 3.09Å; M651-R654 VanDerWaalsContact O-N 3.16Å; M651-H655 WeakPolarHBondContact CE-CE1 3.49Å; M651-H655 WeakPolarHBondContact CE-NE2 3.46Å; M651-H655 PolarHBondContact O-CD2 3.41Å; M651-H655 VanDerWaalsContact O-CD2 3.3Å; M651-H655 PolarHBondContact O-N 3.5Å |
| 652 | L | 95.3 | Very high | 95 | Very high | 46 Ų | 46 | 56.2 Ų | 56.2 | 24% | 0.241 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.7 | -37.1 | 178.1 | -70 | 172.2 | 0 | 0 | 0 | 112.2 | E648 H649 H655 D656 L845 | E648-L652 HydrophobicContact CG-CD1 4.49Å; E648-L652 WeakPolarHBondContact O-CG 3.44Å; E648-L652 PolarHBondContact O-N 3.11Å; H649-L652 PolarHBondContact O-N 2.93Å; L652-H655 WeakPolarHBondContact O-CB 3.1Å; L652-H655 PolarHBondContact O-N 3.05Å; L652-D656 PolarHBondContact O-N 2.81Å; L652-L845 HydrophobicContact CB-CD1 4Å; L652-L845 HydrophobicContact CB-CD2 4.49Å; L652-L845 HydrophobicContact CD1-CD1 4.27Å |
| 653 | I | 95.5 | Very high | 95.2 | Very high | 48 Ų | 48 | 53.5 Ų | 53.5 | 25% | 0.246 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.9 | -47.6 | 173.8 | -71.1 | 167.7 | 0 | 0 | 0 | 111.1 | H649 M651 H655 D656 E657 L845 I849 | H649-I653 WeakPolarHBondContact O-CG1 3.38Å; H649-I653 PolarHBondContact O-N 3.48Å; M651-I653 VanDerWaalsContact C-N 3.27Å; M651-I653 PolarHBondContact O-N 3.19Å; I653-H655 VanDerWaalsContact C-N 3.29Å; I653-H655 PolarHBondContact O-N 3.27Å; I653-D656 PolarHBondContact O-N 3.03Å; I653-E657 WeakPolarHBondContact CG2-OE1 3.02Å; I653-E657 WeakPolarHBondContact O-CG 3.32Å; I653-E657 PolarHBondContact O-N 3.34Å; I653-L845 HydrophobicContact CG1-CD2 4.38Å; I653-I849 HydrophobicContact CD1-CD1 4.07Å; I653-I849 HydrophobicContact CG1-CD1 4.07Å |
| 654 | R | 96.1 | Very high | 95.3 | Very high | 162 Ų | 162 | 53.9 Ų | 53.9 | 61% | 0.611 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.8 | -34.6 | 176.4 | -71 | -173.8 | -60 | -172.1 | 2.9 | 112.6 | A650 M651 S658 | A650-R654 WeakPolarHBondContact O-CG 3.32Å; A650-R654 PolarHBondContact O-N 2.81Å; M651-R654 PolarHBondContact O-N 3.09Å; M651-R654 VanDerWaalsContact O-N 3.16Å; R654-S658 VanDerWaalsContact O-CB 3.31Å; R654-S658 WeakPolarHBondContact O-CB 3.36Å; R654-S658 PolarHBondContact O-N 3.14Å |
| 655 | H | 96.3 | Very high | 95.5 | Very high | 18 Ų | 18 | 58.8 Ų | 58.8 | 8% | 0.083 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 175.6 | -77 | -158.7 | 0 | 0 | 0 | 111.2 | L496 E499 M651 L652 I653 S658 T659 | L496-H655 HydrophobicContact CD1-CB 4.04Å; L496-H655 HydrophobicContact CD2-CB 4.29Å; L496-H655 PolarHBondContact O-CE1 3.43Å; E499-H655 IonicContact OE2-CD2 2.8Å; E499-H655 IonicContact OE2-CE1 3.94Å; E499-H655 IonicContact OE2-NE2 3.82Å; E499-H655 PolarHBondContact OE2-NE2 2.92Å; M651-H655 WeakPolarHBondContact CE-CE1 3.49Å; M651-H655 WeakPolarHBondContact CE-NE2 3.46Å; M651-H655 PolarHBondContact O-CD2 3.41Å; M651-H655 VanDerWaalsContact O-CD2 3.3Å; M651-H655 PolarHBondContact O-N 3.5Å; L652-H655 WeakPolarHBondContact O-CB 3.1Å; L652-H655 PolarHBondContact O-N 3.05Å; I653-H655 VanDerWaalsContact C-N 3.29Å; I653-H655 PolarHBondContact O-N 3.27Å; H655-S658 PolarHBondContact O-N 3.22Å; H655-T659 WeakPolarHBondContact O-CB 3.3Å; H655-T659 PolarHBondContact O-N 2.87Å; H655-T659 PolarHBondContact O-OG1 3.13Å |
| 656 | D | 95.6 | Very high | 95.7 | Very high | 9 Ų | 9 | 57 Ų | 57 | 5% | 0.048 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61 | -46.8 | 174.7 | 174.5 | 59.7 | 0 | 0 | 0 | 112 | L652 I653 T659 Q660 R841 R842 L845 | L652-D656 PolarHBondContact O-N 2.81Å; I653-D656 PolarHBondContact O-N 3.03Å; D656-T659 PolarHBondContact O-N 2.74Å; D656-Q660 WeakPolarHBondContact O-CB 3.47Å; D656-Q660 PolarHBondContact O-N 3.23Å; D656-R841 PolarHBondContact O-NH2 3.45Å; D656-R841 IonicContact OD1-CZ 3.79Å; D656-R841 IonicContact OD1-NE 3.8Å; D656-R841 PolarHBondContact OD1-NE 2.96Å; D656-R841 IonicContact OD1-NH2 3.73Å; D656-R841 PolarHBondContact OD1-NH2 2.95Å; D656-R842 VanDerWaalsContact OD2-CD 3.31Å; D656-R842 WeakPolarHBondContact OD2-CD 3.42Å; D656-R842 IonicContact OD2-NH1 3.91Å; D656-R842 PolarHBondContact OD2-NH1 3.23Å; D656-R842 VanDerWaalsContact OD2-NH1 3.1Å; D656-L845 HydrophobicContact CB-CD2 3.99Å |
| 657 | E | 95.8 | Very high | 95.9 | Very high | 80 Ų | 80 | 54.8 Ų | 54.8 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.6 | -48.1 | 176.6 | -73.5 | 166.8 | -173 | 0 | 0 | 111.8 | I653 T659 Q660 E661 R842 | I653-E657 WeakPolarHBondContact CG2-OE1 3.02Å; I653-E657 WeakPolarHBondContact O-CG 3.32Å; I653-E657 PolarHBondContact O-N 3.34Å; E657-T659 VanDerWaalsContact C-N 3.3Å; E657-T659 PolarHBondContact O-N 3.41Å; E657-Q660 WeakPolarHBondContact O-CB 3.36Å; E657-Q660 PolarHBondContact O-N 2.94Å; E657-E661 WeakPolarHBondContact O-CG 3.49Å; E657-E661 PolarHBondContact O-N 3.36Å; E657-R842 IonicContact OE1-NH1 2.82Å; E657-R842 IonicContact OE1-NH2 2.68Å |
| 658 | S | 97.2 | Very high | 96 | Very high | 46 Ų | 46 | 56 Ų | 56 | 32% | 0.322 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 177.4 | -174.7 | 0 | 0 | 0 | 0 | 112.2 | H492 R654 H655 L662 | H492-S658 PolarHBondContact NE2-OG 3.01Å; R654-S658 VanDerWaalsContact O-CB 3.31Å; R654-S658 WeakPolarHBondContact O-CB 3.36Å; R654-S658 PolarHBondContact O-N 3.14Å; H655-S658 PolarHBondContact O-N 3.22Å; S658-L662 PolarHBondContact O-N 3.39Å; S658-L662 VanDerWaalsContact O-N 3.15Å |
| 659 | T | 96.8 | Very high | 96.2 | Very high | 33 Ų | 33 | 55.7 Ų | 55.7 | 20% | 0.202 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.4 | -44 | 176.2 | -54.9 | 0 | 0 | 0 | 0 | 111 | H492 H655 D656 E657 L662 E663 | H492-T659 PolarHBondContact CE1-OG1 3.46Å; H655-T659 WeakPolarHBondContact O-CB 3.3Å; H655-T659 PolarHBondContact O-N 2.87Å; H655-T659 PolarHBondContact O-OG1 3.13Å; D656-T659 PolarHBondContact O-N 2.74Å; E657-T659 VanDerWaalsContact C-N 3.3Å; E657-T659 PolarHBondContact O-N 3.41Å; T659-L662 PolarHBondContact O-N 3.37Å; T659-E663 HydrophobicContact CG2-CG 4.45Å; T659-E663 WeakPolarHBondContact O-CG 3.45Å; T659-E663 PolarHBondContact O-N 3.5Å |
| 660 | Q | 96.3 | Very high | 96.1 | Very high | 56 Ų | 56 | 56.2 Ų | 56.2 | 26% | 0.262 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.1 | -48 | 176 | 173.1 | -174.9 | -6.1 | 0 | 0 | 111.6 | D656 E657 L662 E663 Q664 V838 | D656-Q660 WeakPolarHBondContact O-CB 3.47Å; D656-Q660 PolarHBondContact O-N 3.23Å; E657-Q660 WeakPolarHBondContact O-CB 3.36Å; E657-Q660 PolarHBondContact O-N 2.94Å; Q660-L662 VanDerWaalsContact C-N 3.28Å; Q660-L662 PolarHBondContact O-N 2.59Å; Q660-E663 PolarHBondContact O-N 2.97Å; Q660-Q664 HydrophobicContact CG-CG 4.45Å; Q660-Q664 WeakPolarHBondContact O-CB 3.47Å; Q660-Q664 WeakPolarHBondContact O-CG 3.24Å; Q660-Q664 PolarHBondContact O-N 3.02Å; Q660-V838 HydrophobicContact CB-CG1 4.26Å; Q660-V838 HydrophobicContact CB-CG2 4.49Å; Q660-V838 HydrophobicContact CG-CG1 3.84Å; Q660-V838 HydrophobicContact CG-CG2 4.19Å |
| 661 | E | 96.1 | Very high | 96.1 | Very high | 115 Ų | 115 | 55 Ų | 55 | 54% | 0.537 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 178.5 | -74.6 | -179.3 | -179.5 | 0 | 0 | 112 | E657 R665 | E657-E661 WeakPolarHBondContact O-CG 3.49Å; E657-E661 PolarHBondContact O-N 3.36Å; E661-R665 WeakPolarHBondContact O-CB 3.11Å; E661-R665 PolarHBondContact O-N 2.87Å |
| 662 | L | 97 | Very high | 96.1 | Very high | 10 Ų | 10 | 61.2 Ų | 61.2 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.8 | -52.7 | 175.5 | -178.9 | 60 | 0 | 0 | 0 | 111 | E488 H492 S658 T659 Q660 Q664 R665 Q666 | E488-L662 HydrophobicContact CG-CD1 4.04Å; E488-L662 WeakPolarHBondContact OE1-CD1 3.43Å; H492-L662 HydrophobicContact CB-CD2 3.58Å; S658-L662 PolarHBondContact O-N 3.39Å; S658-L662 VanDerWaalsContact O-N 3.15Å; T659-L662 PolarHBondContact O-N 3.37Å; Q660-L662 VanDerWaalsContact C-N 3.28Å; Q660-L662 PolarHBondContact O-N 2.59Å; L662-Q664 VanDerWaalsContact C-N 3.28Å; L662-Q664 PolarHBondContact O-N 3.23Å; L662-R665 WeakPolarHBondContact O-CB 3.16Å; L662-R665 PolarHBondContact O-N 3.37Å; L662-R665 VanDerWaalsContact O-N 3.08Å; L662-Q666 HydrophobicContact CD1-CG 3.97Å; L662-Q666 HydrophobicContact CG-CG 4.27Å; L662-Q666 VanDerWaalsContact O-CG 3.28Å; L662-Q666 WeakPolarHBondContact O-CG 3.19Å; L662-Q666 PolarHBondContact O-N 3.07Å |
| 663 | E | 96.5 | Very high | 96 | Very high | 24 Ų | 24 | 60.8 Ų | 60.8 | 11% | 0.112 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.7 | -42.8 | 178.8 | -72.9 | 178.2 | 124.7 | 0 | 0 | 111.6 | T659 Q660 Q666 L667 L834 K837 R841 | T659-E663 HydrophobicContact CG2-CG 4.45Å; T659-E663 WeakPolarHBondContact O-CG 3.45Å; T659-E663 PolarHBondContact O-N 3.5Å; Q660-E663 PolarHBondContact O-N 2.97Å; E663-Q666 PolarHBondContact O-N 2.97Å; E663-L667 WeakPolarHBondContact O-CB 3.5Å; E663-L667 PolarHBondContact O-N 3.12Å; E663-L834 HydrophobicContact CB-CD1 3.91Å; E663-L834 HydrophobicContact CB-CD2 4.21Å; E663-L834 HydrophobicContact CG-CD1 4.48Å; E663-K837 IonicContact OE1-NZ 2.67Å; E663-K837 PolarHBondContact OE1-NZ 3.43Å; E663-R841 IonicContact OE1-NH1 3.87Å; E663-R841 IonicContact OE2-CZ 2.72Å; E663-R841 IonicContact OE2-NH1 2.66Å; E663-R841 PolarHBondContact OE2-NH1 3.24Å; E663-R841 IonicContact OE2-NH2 2.8Å |
| 664 | Q | 96.2 | Very high | 95.8 | Very high | 68 Ų | 68 | 60.2 Ų | 60.2 | 32% | 0.318 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 176.4 | -73 | -176.7 | 0.5 | 0 | 0 | 112.7 | Q660 L662 K668 L834 | Q660-Q664 HydrophobicContact CG-CG 4.45Å; Q660-Q664 WeakPolarHBondContact O-CB 3.47Å; Q660-Q664 WeakPolarHBondContact O-CG 3.24Å; Q660-Q664 PolarHBondContact O-N 3.02Å; L662-Q664 VanDerWaalsContact C-N 3.28Å; L662-Q664 PolarHBondContact O-N 3.23Å; Q664-K668 WeakPolarHBondContact O-CG 3.49Å; Q664-K668 PolarHBondContact O-N 3.4Å; Q664-L834 HydrophobicContact CG-CD2 4.2Å |
| 665 | R | 96.9 | Very high | 95.7 | Very high | 126 Ų | 126 | 54.3 Ų | 54.3 | 48% | 0.475 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 176.9 | -171.8 | -173.1 | -55.1 | 114.6 | 8 | 110.7 | E661 L662 L667 K668 T669 | E661-R665 WeakPolarHBondContact O-CB 3.11Å; E661-R665 PolarHBondContact O-N 2.87Å; L662-R665 WeakPolarHBondContact O-CB 3.16Å; L662-R665 PolarHBondContact O-N 3.37Å; L662-R665 VanDerWaalsContact O-N 3.08Å; R665-L667 PolarHBondContact O-N 2.99Å; R665-K668 PolarHBondContact O-N 3.32Å; R665-T669 PolarHBondContact O-N 2.77Å; R665-T669 PolarHBondContact O-OG1 2.96Å |
| 666 | Q | 96.8 | Very high | 95.6 | Very high | 19 Ų | 19 | 56.4 Ų | 56.4 | 9% | 0.089 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 179.8 | -67 | -168.8 | -25.4 | 0 | 0 | 111.6 | L485 E488 L662 E663 K668 T669 L670 | L485-Q666 HydrophobicContact CB-CG 4.39Å; L485-Q666 HydrophobicContact CD1-CB 4.28Å; L485-Q666 HydrophobicContact CD2-CB 3.96Å; L485-Q666 HydrophobicContact CD2-CG 3.73Å; L485-Q666 HydrophobicContact CG-CB 4.49Å; L485-Q666 HydrophobicContact CG-CG 4.49Å; L485-Q666 PolarHBondContact O-NE2 3.14Å; E488-Q666 PolarHBondContact OE2-NE2 3.34Å; L662-Q666 HydrophobicContact CD1-CG 3.97Å; L662-Q666 HydrophobicContact CG-CG 4.27Å; L662-Q666 VanDerWaalsContact O-CG 3.28Å; L662-Q666 WeakPolarHBondContact O-CG 3.19Å; L662-Q666 PolarHBondContact O-N 3.07Å; E663-Q666 PolarHBondContact O-N 2.97Å; Q666-K668 PolarHBondContact O-N 2.95Å; Q666-T669 PolarHBondContact O-N 2.98Å; Q666-L670 PolarHBondContact O-N 3.45Å |
| 667 | L | 96.2 | Very high | 95.3 | Very high | 32 Ų | 32 | 56.6 Ų | 56.6 | 17% | 0.168 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.1 | -48.6 | 175.5 | -177.9 | 61.9 | 0 | 0 | 0 | 111.2 | E663 R665 T669 L670 Q671 E830 Q831 L834 | E663-L667 WeakPolarHBondContact O-CB 3.5Å; E663-L667 PolarHBondContact O-N 3.12Å; R665-L667 PolarHBondContact O-N 2.99Å; L667-T669 VanDerWaalsContact C-N 3.33Å; L667-T669 PolarHBondContact O-N 3.49Å; L667-L670 PolarHBondContact O-N 3.06Å; L667-Q671 HydrophobicContact CD1-CG 4.15Å; L667-Q671 HydrophobicContact CG-CG 4.35Å; L667-Q671 WeakPolarHBondContact O-CB 3.32Å; L667-Q671 VanDerWaalsContact O-CG 3.24Å; L667-Q671 WeakPolarHBondContact O-CG 3.4Å; L667-Q671 PolarHBondContact O-N 3.12Å; L667-E830 HydrophobicContact CD1-CB 4.14Å; L667-Q831 HydrophobicContact CD2-CB 4.44Å; L667-L834 HydrophobicContact CB-CD2 4.29Å; L667-L834 HydrophobicContact CD2-CB 4.34Å; L667-L834 HydrophobicContact CD2-CD2 3.77Å |
| 668 | K | 96.2 | Very high | 95 | Very high | 140 Ų | 140 | 53.8 Ų | 53.8 | 61% | 0.609 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -59.5 | -41.4 | 177.2 | -75.4 | 175.3 | -179 | 175.1 | 0 | 112.5 | Q664 R665 Q666 K672 | Q664-K668 WeakPolarHBondContact O-CG 3.49Å; Q664-K668 PolarHBondContact O-N 3.4Å; R665-K668 PolarHBondContact O-N 3.32Å; Q666-K668 PolarHBondContact O-N 2.95Å; K668-K672 VanDerWaalsContact O-CB 3.29Å; K668-K672 WeakPolarHBondContact O-CB 3.43Å; K668-K672 PolarHBondContact O-N 3.49Å |
| 669 | T | 96.8 | Very high | 94.8 | Very high | 63 Ų | 63 | 59.2 Ų | 59.2 | 39% | 0.387 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 177.8 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | L481 R665 Q666 L667 K672 L673 | L481-T669 HydrophobicContact CD1-CG2 4.12Å; L481-T669 HydrophobicContact CD2-CG2 4.15Å; R665-T669 PolarHBondContact O-N 2.77Å; R665-T669 PolarHBondContact O-OG1 2.96Å; Q666-T669 PolarHBondContact O-N 2.98Å; L667-T669 VanDerWaalsContact C-N 3.33Å; L667-T669 PolarHBondContact O-N 3.49Å; T669-K672 PolarHBondContact O-N 3.36Å; T669-L673 PolarHBondContact O-N 3.23Å; T669-L673 VanDerWaalsContact O-N 3.08Å |
| 670 | L | 93.8 | Very high | 94.5 | Very high | 22 Ų | 22 | 62 Ų | 62 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -47.8 | 177.1 | -175.6 | 66.6 | 0 | 0 | 0 | 111.7 | L478 L481 E482 L485 Q666 L667 K672 L673 R674 | L478-L670 HydrophobicContact CD2-CD1 4.23Å; L481-L670 HydrophobicContact CD2-CD1 4.13Å; E482-L670 HydrophobicContact CG-CD1 4.15Å; L485-L670 HydrophobicContact CD1-CB 4.36Å; Q666-L670 PolarHBondContact O-N 3.45Å; L667-L670 PolarHBondContact O-N 3.06Å; L670-K672 VanDerWaalsContact C-N 3.32Å; L670-K672 PolarHBondContact O-N 2.98Å; L670-L673 PolarHBondContact O-N 3.45Å; L670-R674 WeakPolarHBondContact O-CG 3.37Å; L670-R674 PolarHBondContact O-N 3.08Å |
| 671 | Q | 94.3 | Very high | 94 | Very high | 25 Ų | 25 | 59.6 Ų | 59.6 | 12% | 0.117 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 177.9 | -70.9 | -178.8 | -14.6 | 0 | 0 | 112.1 | L667 R674 M675 H827 | L667-Q671 HydrophobicContact CD1-CG 4.15Å; L667-Q671 HydrophobicContact CG-CG 4.35Å; L667-Q671 WeakPolarHBondContact O-CB 3.32Å; L667-Q671 VanDerWaalsContact O-CG 3.24Å; L667-Q671 WeakPolarHBondContact O-CG 3.4Å; L667-Q671 PolarHBondContact O-N 3.12Å; Q671-R674 PolarHBondContact O-N 2.95Å; Q671-M675 WeakPolarHBondContact O-CB 3.45Å; Q671-M675 PolarHBondContact O-N 3.25Å; Q671-H827 HydrophobicContact CG-CB 4.31Å; Q671-H827 PolarHBondContact NE2-O 3.09Å; Q671-H827 PolarHBondContact O-CE1 3.4Å |
| 672 | K | 95.6 | Very high | 93.7 | Very high | 143 Ų | 143 | 55.3 Ų | 55.3 | 62% | 0.622 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60.7 | -48.9 | 175 | -177.2 | 179 | 178.3 | -178 | 0 | 111.4 | K668 T669 L670 R674 M675 D676 | K668-K672 VanDerWaalsContact O-CB 3.29Å; K668-K672 WeakPolarHBondContact O-CB 3.43Å; K668-K672 PolarHBondContact O-N 3.49Å; T669-K672 PolarHBondContact O-N 3.36Å; L670-K672 VanDerWaalsContact C-N 3.32Å; L670-K672 PolarHBondContact O-N 2.98Å; K672-R674 PolarHBondContact O-N 3.09Å; K672-M675 PolarHBondContact O-N 2.86Å; K672-D676 PolarHBondContact O-N 3.4Å |
| 673 | L | 94.8 | Very high | 93.4 | Very high | 37 Ų | 37 | 59.2 Ų | 59.2 | 19% | 0.194 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 178.3 | -179.7 | 62.3 | 0 | 0 | 0 | 111.1 | Q477 L478 L481 T669 L670 M675 D676 L677 | Q477-L673 HydrophobicContact CB-CD2 4.5Å; L478-L673 HydrophobicContact CD2-CD2 4.06Å; L478-L673 HydrophobicContact CD2-CG 4.27Å; L481-L673 HydrophobicContact CB-CD2 3.94Å; L481-L673 HydrophobicContact CD2-CB 3.96Å; L481-L673 HydrophobicContact CD2-CD2 3.49Å; L481-L673 VanDerWaalsContact CD2-CD2 3.49Å; L481-L673 HydrophobicContact CD2-CG 4.37Å; L481-L673 HydrophobicContact CG-CD2 4.33Å; T669-L673 PolarHBondContact O-N 3.23Å; T669-L673 VanDerWaalsContact O-N 3.08Å; L670-L673 PolarHBondContact O-N 3.45Å; L673-M675 VanDerWaalsContact C-N 3.3Å; L673-M675 PolarHBondContact O-N 2.99Å; L673-D676 PolarHBondContact O-N 3.41Å; L673-L677 HydrophobicContact CD1-CD1 4.21Å; L673-L677 HydrophobicContact CD1-CD2 4.35Å; L673-L677 HydrophobicContact CD1-CG 4.06Å; L673-L677 HydrophobicContact CG-CD1 3.97Å; L673-L677 HydrophobicContact CG-CG 4.26Å; L673-L677 VanDerWaalsContact O-CG 3.24Å; L673-L677 WeakPolarHBondContact O-CG 3.34Å; L673-L677 PolarHBondContact O-N 3.21Å |
| 674 | R | 91.7 | Very high | 92.8 | Very high | 37 Ų | 37 | 59.7 Ų | 59.7 | 14% | 0.14 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -54.4 | -46 | 176.1 | -74.4 | 175.6 | 175.9 | 171.2 | -4.6 | 111.8 | L478 L670 Q671 K672 L677 I678 E830 | L478-R674 HydrophobicContact CD2-CG 3.76Å; L670-R674 WeakPolarHBondContact O-CG 3.37Å; L670-R674 PolarHBondContact O-N 3.08Å; Q671-R674 PolarHBondContact O-N 2.95Å; K672-R674 PolarHBondContact O-N 3.09Å; R674-L677 PolarHBondContact O-N 2.95Å; R674-I678 VanDerWaalsContact O-CG1 3.32Å; R674-I678 WeakPolarHBondContact O-CG1 3.47Å; R674-I678 PolarHBondContact O-N 3.25Å; R674-E830 IonicContact CZ-OE1 2.77Å; R674-E830 IonicContact NH1-OE1 3.73Å; R674-E830 PolarHBondContact NH1-OE1 3.43Å; R674-E830 IonicContact NH1-OE2 3.74Å; R674-E830 PolarHBondContact NH1-OE2 2.81Å |
| 675 | M | 93.2 | Very high | 92.2 | Very high | 37 Ų | 37 | 56.8 Ų | 56.8 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.5 | -40.3 | 179.3 | -164.8 | 60.8 | 63.5 | 0 | 0 | 112.9 | Q671 K672 L673 I678 R679 T823 E824 | Q671-M675 WeakPolarHBondContact O-CB 3.45Å; Q671-M675 PolarHBondContact O-N 3.25Å; K672-M675 PolarHBondContact O-N 2.86Å; L673-M675 VanDerWaalsContact C-N 3.3Å; L673-M675 PolarHBondContact O-N 2.99Å; M675-I678 PolarHBondContact O-N 3.48Å; M675-R679 PolarHBondContact O-N 3.29Å; M675-T823 HydrophobicContact CE-CG2 4.26Å; M675-E824 HydrophobicContact CE-CG 3.89Å |
| 676 | D | 93.9 | Very high | 91.7 | Very high | 63 Ų | 63 | 53.1 Ų | 53.1 | 34% | 0.337 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66 | -38.9 | 177.3 | -72.7 | -25.8 | 0 | 0 | 0 | 111.5 | K672 L673 R679 L680 | K672-D676 PolarHBondContact O-N 3.4Å; L673-D676 PolarHBondContact O-N 3.41Å; D676-R679 PolarHBondContact O-N 2.97Å; D676-R679 IonicContact OD1-CZ 3.94Å; D676-R679 IonicContact OD1-NH1 3.82Å; D676-R679 PolarHBondContact OD1-NH1 2.93Å; D676-L680 PolarHBondContact O-N 3.2Å |
| 677 | L | 90.4 | Very high | 91.2 | Very high | 12 Ų | 12 | 57.2 Ų | 57.2 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 174.6 | -65.8 | 176.3 | 0 | 0 | 0 | 112.1 | H474 L478 L673 R674 R679 L680 Q681 | H474-L677 HydrophobicContact CB-CD1 4.1Å; H474-L677 HydrophobicContact CB-CD2 4.19Å; H474-L677 PolarHBondContact CE1-O 3.47Å; L478-L677 HydrophobicContact CD1-CD1 4.13Å; L478-L677 HydrophobicContact CD2-CD1 4.03Å; L478-L677 HydrophobicContact CG-CD1 3.76Å; L673-L677 HydrophobicContact CD1-CD1 4.21Å; L673-L677 HydrophobicContact CD1-CD2 4.35Å; L673-L677 HydrophobicContact CD1-CG 4.06Å; L673-L677 HydrophobicContact CG-CD1 3.97Å; L673-L677 HydrophobicContact CG-CG 4.26Å; L673-L677 VanDerWaalsContact O-CG 3.24Å; L673-L677 WeakPolarHBondContact O-CG 3.34Å; L673-L677 PolarHBondContact O-N 3.21Å; R674-L677 PolarHBondContact O-N 2.95Å; L677-R679 VanDerWaalsContact C-N 3.34Å; L677-L680 PolarHBondContact O-N 3.34Å; L677-Q681 WeakPolarHBondContact O-CB 3.4Å; L677-Q681 PolarHBondContact O-N 2.95Å |
| 678 | I | 88.7 | Confident | 90.5 | Very high | 22 Ų | 22 | 57.6 Ų | 57.6 | 11% | 0.113 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 174.4 | -71.9 | 166.3 | 0 | 0 | 0 | 110.6 | R674 M675 L680 Q681 H682 I819 T823 | R674-I678 VanDerWaalsContact O-CG1 3.32Å; R674-I678 WeakPolarHBondContact O-CG1 3.47Å; R674-I678 PolarHBondContact O-N 3.25Å; M675-I678 PolarHBondContact O-N 3.48Å; I678-L680 VanDerWaalsContact C-N 3.33Å; I678-L680 PolarHBondContact O-N 3.28Å; I678-Q681 WeakPolarHBondContact O-CB 3.41Å; I678-Q681 PolarHBondContact O-N 3.47Å; I678-H682 WeakPolarHBondContact CG2-CE1 3.41Å; I678-H682 PolarHBondContact O-CD2 3.01Å; I678-H682 VanDerWaalsContact O-CG 3.26Å; I678-H682 PolarHBondContact O-N 3.02Å; I678-I819 HydrophobicContact CD1-CG2 4.43Å; I678-I819 HydrophobicContact CG2-CG2 4.3Å; I678-T823 HydrophobicContact CD1-CG2 3.61Å; I678-T823 WeakPolarHBondContact CD1-OG1 3.16Å |
| 679 | R | 92.6 | Very high | 89.9 | Confident | 160 Ų | 160 | 51.5 Ų | 51.5 | 60% | 0.604 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -59.7 | -45 | 176.2 | -171.5 | -171.7 | -70.1 | 123.5 | -0.5 | 111.3 | M675 D676 L677 Q681 H682 Q683 | M675-R679 PolarHBondContact O-N 3.29Å; D676-R679 PolarHBondContact O-N 2.97Å; D676-R679 IonicContact OD1-CZ 3.94Å; D676-R679 IonicContact OD1-NH1 3.82Å; D676-R679 PolarHBondContact OD1-NH1 2.93Å; L677-R679 VanDerWaalsContact C-N 3.34Å; R679-Q681 VanDerWaalsContact C-N 3.35Å; R679-H682 PolarHBondContact O-N 3Å; R679-Q683 PolarHBondContact O-N 2.96Å |
| 680 | L | 90.3 | Very high | 89.4 | Confident | 91 Ų | 91 | 52.2 Ų | 52.2 | 48% | 0.476 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.7 | -41.7 | 177.8 | -176.1 | 60.4 | 0 | 0 | 0 | 111.6 | D676 L677 I678 Q683 T684 | D676-L680 PolarHBondContact O-N 3.2Å; L677-L680 PolarHBondContact O-N 3.34Å; I678-L680 VanDerWaalsContact C-N 3.33Å; I678-L680 PolarHBondContact O-N 3.28Å; L680-Q683 PolarHBondContact O-N 3.04Å; L680-T684 PolarHBondContact O-N 3.38Å; L680-T684 PolarHBondContact O-OG1 3.22Å; L680-T684 VanDerWaalsContact O-OG1 3.14Å |
| 681 | Q | 86.3 | Confident | 88.9 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.028 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60 | -49.9 | 174.8 | 170.1 | 180 | -16.7 | 0 | 0 | 111.8 | Y467 M470 L677 I678 R679 Q683 T684 E685 | Y467-Q681 HydrophobicContact CE2-CG 4.35Å; Y467-Q681 PolarHBondContact OH-NE2 3.35Å; Y467-Q681 VanDerWaalsContact OH-NE2 3.09Å; M470-Q681 HydrophobicContact CE-CB 4.06Å; M470-Q681 HydrophobicContact CE-CG 4.07Å; L677-Q681 WeakPolarHBondContact O-CB 3.4Å; L677-Q681 PolarHBondContact O-N 2.95Å; I678-Q681 WeakPolarHBondContact O-CB 3.41Å; I678-Q681 PolarHBondContact O-N 3.47Å; R679-Q681 VanDerWaalsContact C-N 3.35Å; Q681-Q683 VanDerWaalsContact C-N 3.26Å; Q681-Q683 PolarHBondContact O-N 3.08Å; Q681-T684 PolarHBondContact O-N 2.97Å; Q681-T684 VanDerWaalsContact O-N 3.16Å; Q681-E685 HydrophobicContact CG-CG 4.37Å; Q681-E685 WeakPolarHBondContact CG-OE1 3.35Å; Q681-E685 PolarHBondContact NE2-OE1 3.49Å; Q681-E685 WeakPolarHBondContact O-CG 3.46Å; Q681-E685 PolarHBondContact O-N 3.49Å |
| 682 | H | 89.6 | Confident | 88.3 | Confident | 24 Ų | 24 | 55.5 Ų | 55.5 | 11% | 0.111 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.1 | -39.2 | 179.6 | -70.3 | 177.3 | 0 | 0 | 0 | 111.9 | I678 R679 E685 L686 Q816 | I678-H682 WeakPolarHBondContact CG2-CE1 3.41Å; I678-H682 PolarHBondContact O-CD2 3.01Å; I678-H682 VanDerWaalsContact O-CG 3.26Å; I678-H682 PolarHBondContact O-N 3.02Å; R679-H682 PolarHBondContact O-N 3Å; H682-E685 IonicContact CD2-OE2 3.26Å; H682-E685 PolarHBondContact O-N 3.02Å; H682-L686 WeakPolarHBondContact O-CB 3.39Å; H682-L686 PolarHBondContact O-N 3.49Å; H682-Q816 VanDerWaalsContact CA-NE2 3.35Å; H682-Q816 HydrophobicContact CB-CG 4.18Å; H682-Q816 PolarHBondContact CE1-O 3.45Å; H682-Q816 PolarHBondContact O-NE2 2.93Å |
| 683 | Q | 90.2 | Very high | 87.8 | Confident | 93 Ų | 93 | 49.9 Ų | 49.9 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.4 | -47 | 175.6 | -177.3 | 61.3 | 31.2 | 0 | 0 | 111.7 | R679 L680 Q681 E685 L686 E687 | R679-Q683 PolarHBondContact O-N 2.96Å; L680-Q683 PolarHBondContact O-N 3.04Å; Q681-Q683 VanDerWaalsContact C-N 3.26Å; Q681-Q683 PolarHBondContact O-N 3.08Å; Q683-E685 PolarHBondContact O-N 3.17Å; Q683-L686 PolarHBondContact O-N 2.91Å; Q683-E687 WeakPolarHBondContact CG-OE1 2.93Å; Q683-E687 PolarHBondContact NE2-OE1 3.32Å; Q683-E687 WeakPolarHBondContact O-CG 3.47Å; Q683-E687 PolarHBondContact O-N 3.47Å |
| 684 | T | 84.1 | Confident | 87.5 | Confident | 33 Ų | 33 | 51.8 Ų | 51.8 | 20% | 0.202 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 177.4 | -57.1 | 0 | 0 | 0 | 0 | 112.2 | L680 Q681 L686 E687 N688 | L680-T684 PolarHBondContact O-N 3.38Å; L680-T684 PolarHBondContact O-OG1 3.22Å; L680-T684 VanDerWaalsContact O-OG1 3.14Å; Q681-T684 PolarHBondContact O-N 2.97Å; Q681-T684 VanDerWaalsContact O-N 3.16Å; T684-L686 VanDerWaalsContact C-N 3.35Å; T684-E687 PolarHBondContact O-N 3.07Å; T684-N688 WeakPolarHBondContact O-CB 3.27Å; T684-N688 PolarHBondContact O-N 3.49Å; T684-N688 PolarHBondContact O-ND2 3.2Å |
| 685 | E | 83.5 | Confident | 87.1 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -41.3 | 176.5 | -72 | 167.9 | 178 | 0 | 0 | 111.7 | M232 Y467 Q681 H682 Q683 N688 Q689 L812 Q816 | M232-E685 HydrophobicContact CE-CG 4.45Å; Y467-E685 HydrophobicContact CE2-CG 3.86Å; Y467-E685 PolarHBondContact OH-OE1 3.39Å; Q681-E685 HydrophobicContact CG-CG 4.37Å; Q681-E685 WeakPolarHBondContact CG-OE1 3.35Å; Q681-E685 PolarHBondContact NE2-OE1 3.49Å; Q681-E685 WeakPolarHBondContact O-CG 3.46Å; Q681-E685 PolarHBondContact O-N 3.49Å; H682-E685 IonicContact CD2-OE2 3.26Å; H682-E685 PolarHBondContact O-N 3.02Å; Q683-E685 PolarHBondContact O-N 3.17Å; E685-N688 PolarHBondContact O-N 3.13Å; E685-Q689 PolarHBondContact O-N 2.85Å; E685-L812 HydrophobicContact CB-CD1 4.26Å; E685-Q816 PolarHBondContact OE2-NE2 2.8Å |
| 686 | L | 87.5 | Confident | 86.6 | Confident | 49 Ų | 49 | 53.5 Ų | 53.5 | 26% | 0.257 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 176.2 | -179.2 | 63.7 | 0 | 0 | 0 | 111.7 | H682 Q683 T684 N688 Q689 I690 M809 | H682-L686 WeakPolarHBondContact O-CB 3.39Å; H682-L686 PolarHBondContact O-N 3.49Å; Q683-L686 PolarHBondContact O-N 2.91Å; T684-L686 VanDerWaalsContact C-N 3.35Å; L686-N688 VanDerWaalsContact C-N 3.32Å; L686-N688 PolarHBondContact O-N 3.02Å; L686-Q689 PolarHBondContact O-N 3.4Å; L686-I690 HydrophobicContact CD1-CD1 4.28Å; L686-I690 HydrophobicContact CG-CD1 4.02Å; L686-I690 VanDerWaalsContact O-CG1 3.31Å; L686-I690 WeakPolarHBondContact O-CG1 3.35Å; L686-I690 PolarHBondContact O-N 2.9Å; L686-M809 HydrophobicContact CD1-CE 4.1Å; L686-M809 HydrophobicContact CD1-SD 3.63Å |
| 687 | E | 85.9 | Confident | 86.3 | Confident | 104 Ų | 104 | 54.7 Ų | 54.7 | 49% | 0.486 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.2 | -44.5 | 176.1 | -75.3 | 169.4 | -168.4 | 0 | 0 | 111.7 | Q683 T684 Q689 I690 E691 | Q683-E687 WeakPolarHBondContact CG-OE1 2.93Å; Q683-E687 PolarHBondContact NE2-OE1 3.32Å; Q683-E687 WeakPolarHBondContact O-CG 3.47Å; Q683-E687 PolarHBondContact O-N 3.47Å; T684-E687 PolarHBondContact O-N 3.07Å; E687-Q689 PolarHBondContact O-N 2.9Å; E687-I690 PolarHBondContact O-N 2.95Å; E687-E691 PolarHBondContact O-N 2.9Å |
| 688 | N | 82.1 | Confident | 86.1 | Confident | 41 Ų | 41 | 59.8 Ų | 59.8 | 22% | 0.219 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 176.4 | -70.9 | -22.8 | 0 | 0 | 0 | 112.3 | T684 E685 L686 E691 Y692 | T684-N688 WeakPolarHBondContact O-CB 3.27Å; T684-N688 PolarHBondContact O-N 3.49Å; T684-N688 PolarHBondContact O-ND2 3.2Å; E685-N688 PolarHBondContact O-N 3.13Å; L686-N688 VanDerWaalsContact C-N 3.32Å; L686-N688 PolarHBondContact O-N 3.02Å; N688-E691 PolarHBondContact O-N 3.09Å; N688-Y692 WeakPolarHBondContact O-CB 3.39Å; N688-Y692 PolarHBondContact O-N 3.38Å |
| 689 | Q | 83.1 | Confident | 85.8 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 5% | 0.051 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 177.8 | -173.4 | 65.4 | 38.8 | 0 | 0 | 111.5 | N230 E685 L686 E687 Y692 N693 M809 L812 | N230-Q689 PolarHBondContact ND2-OE1 3.37Å; E685-Q689 PolarHBondContact O-N 2.85Å; L686-Q689 PolarHBondContact O-N 3.4Å; E687-Q689 PolarHBondContact O-N 2.9Å; Q689-Y692 PolarHBondContact O-N 3.03Å; Q689-N693 PolarHBondContact NE2-OD1 3.49Å; Q689-N693 WeakPolarHBondContact O-CB 3.32Å; Q689-N693 PolarHBondContact O-N 2.76Å; Q689-N693 PolarHBondContact O-OD1 3.41Å; Q689-M809 HydrophobicContact CB-CE 4.14Å; Q689-M809 HydrophobicContact CG-CE 3.58Å; Q689-M809 HydrophobicContact CG-SD 4.05Å; Q689-L812 HydrophobicContact CB-CD2 3.69Å; Q689-L812 HydrophobicContact CG-CD2 4.03Å |
| 690 | I | 86.7 | Confident | 85.6 | Confident | 78 Ų | 78 | 54.5 Ų | 54.5 | 40% | 0.4 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 174.9 | -69 | 166.3 | 0 | 0 | 0 | 110.5 | L686 E687 Y692 N693 N694 M809 | L686-I690 HydrophobicContact CD1-CD1 4.28Å; L686-I690 HydrophobicContact CG-CD1 4.02Å; L686-I690 VanDerWaalsContact O-CG1 3.31Å; L686-I690 WeakPolarHBondContact O-CG1 3.35Å; L686-I690 PolarHBondContact O-N 2.9Å; E687-I690 PolarHBondContact O-N 2.95Å; I690-Y692 VanDerWaalsContact C-N 3.34Å; I690-Y692 PolarHBondContact O-N 2.78Å; I690-N693 PolarHBondContact O-N 2.82Å; I690-N694 WeakPolarHBondContact O-CB 3.19Å; I690-N694 VanDerWaalsContact O-CG 3.25Å; I690-N694 PolarHBondContact O-N 2.8Å; I690-N694 PolarHBondContact O-ND2 3.07Å; I690-M809 HydrophobicContact CG1-CE 4.18Å |
| 691 | E | 83.5 | Confident | 85.5 | Confident | 86 Ų | 86 | 56.2 Ų | 56.2 | 40% | 0.402 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 177 | -169.6 | -177.7 | -163.3 | 0 | 0 | 112 | Q463 E687 N688 N694 R695 | Q463-E691 PolarHBondContact NE2-OE2 3.35Å; E687-E691 PolarHBondContact O-N 2.9Å; N688-E691 PolarHBondContact O-N 3.09Å; E691-N694 PolarHBondContact O-N 2.74Å; E691-R695 PolarHBondContact O-N 3.23Å |
| 692 | Y | 80.2 | Confident | 85.5 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 12% | 0.118 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 175.5 | 171 | -96.7 | 0 | 0 | 0 | 112 | N230 N688 Q689 I690 N694 R695 R696 L805 E808 | N230-Y692 HydrophobicContact CB-CD2 4.05Å; N230-Y692 HydrophobicContact CB-CE1 4.31Å; N230-Y692 HydrophobicContact CB-CE2 3.7Å; N230-Y692 HydrophobicContact CB-CG 4.49Å; N688-Y692 WeakPolarHBondContact O-CB 3.39Å; N688-Y692 PolarHBondContact O-N 3.38Å; Q689-Y692 PolarHBondContact O-N 3.03Å; I690-Y692 VanDerWaalsContact C-N 3.34Å; I690-Y692 PolarHBondContact O-N 2.78Å; Y692-N694 VanDerWaalsContact C-N 3.33Å; Y692-N694 PolarHBondContact O-N 2.84Å; Y692-R695 WeakPolarHBondContact O-CB 3.41Å; Y692-R695 PolarHBondContact O-N 3.22Å; Y692-R696 HydrophobicContact CD1-CG 4.4Å; Y692-R696 HydrophobicContact CD2-CG 4.41Å; Y692-R696 HydrophobicContact CE1-CG 3.87Å; Y692-R696 HydrophobicContact CE2-CG 3.88Å; Y692-R696 PolarHBondContact O-N 2.87Å; Y692-R696 PolarHBondContact OH-NE 3.22Å; Y692-L805 HydrophobicContact CD1-CD2 4.35Å; Y692-L805 HydrophobicContact CE1-CD2 3.85Å; Y692-E808 VanDerWaalsContact CE1-OE2 3.23Å; Y692-E808 WeakPolarHBondContact CE1-OE2 3.28Å |
| 693 | N | 86.4 | Confident | 85.3 | Confident | 25 Ų | 25 | 64.6 Ų | 64.6 | 13% | 0.134 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.2 | -49.5 | 176.6 | -72.2 | 8 | 0 | 0 | 0 | 110.4 | Q689 I690 R695 R696 E697 L805 | Q689-N693 PolarHBondContact NE2-OD1 3.49Å; Q689-N693 WeakPolarHBondContact O-CB 3.32Å; Q689-N693 PolarHBondContact O-N 2.76Å; Q689-N693 PolarHBondContact O-OD1 3.41Å; I690-N693 PolarHBondContact O-N 2.82Å; N693-R695 VanDerWaalsContact C-N 3.26Å; N693-R695 PolarHBondContact O-N 3.2Å; N693-R696 PolarHBondContact O-N 3.28Å; N693-E697 WeakPolarHBondContact O-CG 3.26Å; N693-E697 PolarHBondContact O-N 2.98Å; N693-L805 HydrophobicContact CB-CD1 4.13Å |
| 694 | N | 86.9 | Confident | 85.3 | Confident | 78 Ų | 78 | 60.8 Ų | 60.8 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.8 | -32.7 | 177.3 | -71 | -27.6 | 0 | 0 | 0 | 112.8 | I690 E691 Y692 R698 | I690-N694 WeakPolarHBondContact O-CB 3.19Å; I690-N694 VanDerWaalsContact O-CG 3.25Å; I690-N694 PolarHBondContact O-N 2.8Å; I690-N694 PolarHBondContact O-ND2 3.07Å; E691-N694 PolarHBondContact O-N 2.74Å; Y692-N694 VanDerWaalsContact C-N 3.33Å; Y692-N694 PolarHBondContact O-N 2.84Å; N694-R698 VanDerWaalsContact O-CG 3.3Å; N694-R698 WeakPolarHBondContact O-CG 3.18Å; N694-R698 PolarHBondContact O-N 3.46Å; N694-R698 PolarHBondContact O-NE 2.92Å |
| 695 | R | 83.3 | Confident | 85.5 | Confident | 34 Ų | 34 | 61.9 Ų | 61.9 | 13% | 0.128 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.7 | -46.9 | 176.4 | -176.1 | -179 | -75.4 | 145.1 | 4 | 110.9 | E459 E691 Y692 N693 E697 R698 E699 | E459-R695 IonicContact OE1-CZ 3.83Å; E459-R695 IonicContact OE1-NH2 3.46Å; E459-R695 PolarHBondContact OE1-NH2 3.16Å; E459-R695 IonicContact OE2-CZ 2.69Å; E459-R695 IonicContact OE2-NE 2.93Å; E459-R695 PolarHBondContact OE2-NE 3.5Å; E459-R695 IonicContact OE2-NH1 3.72Å; E459-R695 PolarHBondContact OE2-NH1 3.13Å; E459-R695 IonicContact OE2-NH2 3.83Å; E459-R695 PolarHBondContact OE2-NH2 3.22Å; E691-R695 PolarHBondContact O-N 3.23Å; Y692-R695 WeakPolarHBondContact O-CB 3.41Å; Y692-R695 PolarHBondContact O-N 3.22Å; N693-R695 VanDerWaalsContact C-N 3.26Å; N693-R695 PolarHBondContact O-N 3.2Å; R695-E697 VanDerWaalsContact C-N 3.32Å; R695-E697 PolarHBondContact O-N 2.68Å; R695-R698 WeakPolarHBondContact O-CB 3.3Å; R695-R698 PolarHBondContact O-N 2.97Å; R695-R698 VanDerWaalsContact O-N 3.13Å; R695-E699 WeakPolarHBondContact O-CG 3.29Å; R695-E699 PolarHBondContact O-N 2.88Å |
| 696 | R | 84.1 | Confident | 85.6 | Confident | 76 Ų | 76 | 66 Ų | 66 | 29% | 0.287 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 178.3 | -75.5 | -61.4 | -138.5 | 165 | 9 | 112.3 | Y692 N693 E699 L700 L801 L805 | Y692-R696 HydrophobicContact CD1-CG 4.4Å; Y692-R696 HydrophobicContact CD2-CG 4.41Å; Y692-R696 HydrophobicContact CE1-CG 3.87Å; Y692-R696 HydrophobicContact CE2-CG 3.88Å; Y692-R696 PolarHBondContact O-N 2.87Å; Y692-R696 PolarHBondContact OH-NE 3.22Å; N693-R696 PolarHBondContact O-N 3.28Å; R696-E699 IonicContact NH1-OE2 2.88Å; R696-E699 PolarHBondContact O-N 3.05Å; R696-L700 PolarHBondContact O-N 3.37Å; R696-L801 HydrophobicContact CB-CD1 4.31Å; R696-L801 HydrophobicContact CB-CD2 4.37Å; R696-L805 HydrophobicContact CB-CD1 4.25Å; R696-L805 HydrophobicContact CB-CD2 4.19Å; R696-L805 HydrophobicContact CG-CD2 4.22Å |
| 697 | E | 86.8 | Confident | 85.4 | Confident | 87 Ų | 87 | 66.5 Ų | 66.5 | 41% | 0.407 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 174.8 | -70.1 | -174 | 157.1 | 0 | 0 | 112 | N693 R695 E699 L700 H701 L805 | N693-E697 WeakPolarHBondContact O-CG 3.26Å; N693-E697 PolarHBondContact O-N 2.98Å; R695-E697 VanDerWaalsContact C-N 3.32Å; R695-E697 PolarHBondContact O-N 2.68Å; E697-E699 PolarHBondContact O-N 3.13Å; E697-L700 PolarHBondContact O-N 3.33Å; E697-H701 WeakPolarHBondContact O-CB 3.33Å; E697-H701 PolarHBondContact O-N 3.12Å; E697-L805 HydrophobicContact CG-CD1 4.1Å |
| 698 | R | 86.6 | Confident | 85.4 | Confident | 119 Ų | 119 | 65.2 Ų | 65.2 | 45% | 0.449 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 175.5 | -77.9 | 177.7 | -75.7 | 149 | -7.3 | 112.6 | N694 R695 H701 R702 | N694-R698 VanDerWaalsContact O-CG 3.3Å; N694-R698 WeakPolarHBondContact O-CG 3.18Å; N694-R698 PolarHBondContact O-N 3.46Å; N694-R698 PolarHBondContact O-NE 2.92Å; R695-R698 WeakPolarHBondContact O-CB 3.3Å; R695-R698 PolarHBondContact O-N 2.97Å; R695-R698 VanDerWaalsContact O-N 3.13Å; R698-H701 PolarHBondContact O-N 3.38Å; R698-R702 VanDerWaalsContact O-CG 3.3Å; R698-R702 WeakPolarHBondContact O-CG 3.42Å; R698-R702 PolarHBondContact O-N 3.12Å |
| 699 | E | 82.6 | Confident | 85.6 | Confident | 44 Ų | 44 | 72.4 Ų | 72.4 | 21% | 0.206 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 176.9 | -74.4 | 175.3 | -178.9 | 0 | 0 | 111.6 | Q456 R695 R696 E697 R702 K703 | Q456-E699 PolarHBondContact NE2-OE1 2.8Å; R695-E699 WeakPolarHBondContact O-CG 3.29Å; R695-E699 PolarHBondContact O-N 2.88Å; R696-E699 IonicContact NH1-OE2 2.88Å; R696-E699 PolarHBondContact O-N 3.05Å; E697-E699 PolarHBondContact O-N 3.13Å; E699-R702 PolarHBondContact O-N 3.21Å; E699-K703 PolarHBondContact O-N 2.77Å |
| 700 | L | 88.6 | Confident | 85.5 | Confident | 27 Ų | 27 | 76.8 Ų | 76.8 | 14% | 0.141 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 176.1 | -173.8 | 65 | 0 | 0 | 0 | 111.1 | R696 E697 R702 K703 H704 E797 C798 L801 | R696-L700 PolarHBondContact O-N 3.37Å; E697-L700 PolarHBondContact O-N 3.33Å; L700-R702 VanDerWaalsContact C-N 3.33Å; L700-R702 PolarHBondContact O-N 2.93Å; L700-K703 HydrophobicContact CD1-CD 4.41Å; L700-K703 WeakPolarHBondContact O-CB 3.28Å; L700-K703 PolarHBondContact O-N 3.45Å; L700-K703 VanDerWaalsContact O-N 3.11Å; L700-H704 PolarHBondContact O-N 2.78Å; L700-E797 HydrophobicContact CD1-CB 4.26Å; L700-C798 HydrophobicContact CD2-CB 4.43Å; L700-L801 HydrophobicContact CB-CD2 3.83Å; L700-L801 HydrophobicContact CD2-CB 4.01Å; L700-L801 HydrophobicContact CD2-CD2 3.55Å; L700-L801 HydrophobicContact CD2-CG 4.43Å; L700-L801 HydrophobicContact CG-CD2 4.28Å |
| 701 | H | 87.6 | Confident | 85.2 | Confident | 128 Ų | 128 | 74.9 Ų | 74.9 | 59% | 0.593 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -59.7 | -42.3 | 176.7 | -171.3 | 68.9 | 0 | 0 | 0 | 112.3 | E697 R698 K703 H704 V705 | E697-H701 WeakPolarHBondContact O-CB 3.33Å; E697-H701 PolarHBondContact O-N 3.12Å; R698-H701 PolarHBondContact O-N 3.38Å; H701-K703 VanDerWaalsContact C-N 3.35Å; H701-K703 PolarHBondContact O-N 2.89Å; H701-H704 PolarHBondContact O-N 3.36Å; H701-V705 WeakPolarHBondContact O-CG2 3.37Å; H701-V705 PolarHBondContact O-N 3.48Å |
| 702 | R | 86.1 | Confident | 85.1 | Confident | 121 Ų | 121 | 74.1 Ų | 74.1 | 46% | 0.457 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 174.7 | -73.9 | 173.6 | -171.3 | 168.9 | 3.8 | 111.8 | H452 R698 E699 L700 V705 L706 | H452-R702 PolarHBondContact CE1-NH1 3.17Å; H452-R702 PolarHBondContact NE2-NH1 3.21Å; H452-R702 VanDerWaalsContact NE2-NH1 3.15Å; R698-R702 VanDerWaalsContact O-CG 3.3Å; R698-R702 WeakPolarHBondContact O-CG 3.42Å; R698-R702 PolarHBondContact O-N 3.12Å; E699-R702 PolarHBondContact O-N 3.21Å; L700-R702 VanDerWaalsContact C-N 3.33Å; L700-R702 PolarHBondContact O-N 2.93Å; R702-V705 PolarHBondContact O-N 2.9Å; R702-L706 WeakPolarHBondContact O-CD1 3.37Å; R702-L706 PolarHBondContact O-N 2.68Å |
| 703 | K | 86.3 | Confident | 85.1 | Confident | 84 Ų | 84 | 80 Ų | 80 | 37% | 0.365 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.8 | -48.3 | 176.4 | -178.2 | -168.3 | 167.9 | -153.7 | 0 | 110.6 | E699 L700 H701 V705 L706 E707 E797 | E699-K703 PolarHBondContact O-N 2.77Å; L700-K703 HydrophobicContact CD1-CD 4.41Å; L700-K703 WeakPolarHBondContact O-CB 3.28Å; L700-K703 PolarHBondContact O-N 3.45Å; L700-K703 VanDerWaalsContact O-N 3.11Å; H701-K703 VanDerWaalsContact C-N 3.35Å; H701-K703 PolarHBondContact O-N 2.89Å; K703-V705 PolarHBondContact O-N 2.82Å; K703-L706 WeakPolarHBondContact O-CB 3.3Å; K703-L706 PolarHBondContact O-N 3.14Å; K703-L706 VanDerWaalsContact O-N 3.14Å; K703-E707 WeakPolarHBondContact CE-OE1 3.25Å; K703-E707 IonicContact NZ-OE1 2.8Å; K703-E707 PolarHBondContact O-N 3Å; K703-E797 IonicContact NZ-OE1 3.13Å; K703-E797 PolarHBondContact NZ-OE1 3.41Å; K703-E797 IonicContact NZ-OE2 3.63Å; K703-E797 PolarHBondContact NZ-OE2 3.17Å |
| 704 | H | 90.4 | Very high | 84.8 | Confident | 13 Ų | 13 | 83.2 Ų | 83.2 | 6% | 0.06 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62 | -41.3 | 179 | -66.2 | 169.6 | 0 | 0 | 0 | 112.6 | L700 H701 L706 E707 L708 Q794 E797 C798 | L700-H704 PolarHBondContact O-N 2.78Å; H701-H704 PolarHBondContact O-N 3.36Å; H704-L706 VanDerWaalsContact C-N 3.33Å; H704-L706 PolarHBondContact O-N 3.47Å; H704-E707 IonicContact CD2-OE2 3.44Å; H704-E707 PolarHBondContact O-N 2.93Å; H704-L708 WeakPolarHBondContact O-CG 3.43Å; H704-L708 PolarHBondContact O-N 3.2Å; H704-Q794 HydrophobicContact CB-CG 4.33Å; H704-Q794 PolarHBondContact CE1-O 2.91Å; H704-Q794 VanDerWaalsContact CE1-O 3.31Å; H704-Q794 PolarHBondContact O-NE2 3.25Å; H704-E797 IonicContact CD2-OE2 2.73Å; H704-E797 IonicContact NE2-OE2 3.97Å; H704-E797 PolarHBondContact NE2-OE2 2.88Å; H704-C798 VanDerWaalsContact CE1-SG 3.54Å |
| 705 | V | 88.3 | Confident | 84.6 | Confident | 57 Ų | 57 | 80.2 Ų | 80.2 | 35% | 0.345 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 174.5 | 171.6 | 0 | 0 | 0 | 0 | 112.1 | H701 R702 K703 R709 | H701-V705 WeakPolarHBondContact O-CG2 3.37Å; H701-V705 PolarHBondContact O-N 3.48Å; R702-V705 PolarHBondContact O-N 2.9Å; K703-V705 PolarHBondContact O-N 2.82Å; V705-R709 WeakPolarHBondContact O-CG 3.48Å; V705-R709 PolarHBondContact O-N 2.93Å |
| 706 | L | 84.4 | Confident | 84.7 | Confident | 95 Ų | 95 | 85.4 Ų | 85.4 | 50% | 0.497 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 176.4 | -89.8 | 150.3 | 0 | 0 | 0 | 112.1 | R702 K703 H704 R709 Q710 | R702-L706 WeakPolarHBondContact O-CD1 3.37Å; R702-L706 PolarHBondContact O-N 2.68Å; K703-L706 WeakPolarHBondContact O-CB 3.3Å; K703-L706 PolarHBondContact O-N 3.14Å; K703-L706 VanDerWaalsContact O-N 3.14Å; H704-L706 VanDerWaalsContact C-N 3.33Å; H704-L706 PolarHBondContact O-N 3.47Å; L706-R709 PolarHBondContact O-N 3.28Å; L706-Q710 WeakPolarHBondContact O-CG 3.46Å; L706-Q710 PolarHBondContact O-N 3.46Å; L706-Q710 VanDerWaalsContact O-N 3.08Å |
| 707 | E | 84.8 | Confident | 84.7 | Confident | 59 Ų | 59 | 86.5 Ų | 86.5 | 28% | 0.276 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 175.6 | -74 | 171.4 | 175.6 | 0 | 0 | 111.6 | K703 H704 R709 Q710 Q711 L790 Q794 | K703-E707 WeakPolarHBondContact CE-OE1 3.25Å; K703-E707 IonicContact NZ-OE1 2.8Å; K703-E707 PolarHBondContact O-N 3Å; H704-E707 IonicContact CD2-OE2 3.44Å; H704-E707 PolarHBondContact O-N 2.93Å; E707-R709 PolarHBondContact O-N 2.88Å; E707-Q710 PolarHBondContact O-N 2.92Å; E707-Q711 PolarHBondContact O-N 2.99Å; E707-L790 HydrophobicContact CB-CD1 4.44Å; E707-Q794 PolarHBondContact OE2-NE2 3.37Å; E707-Q794 VanDerWaalsContact OE2-NE2 3.15Å |
| 708 | L | 85.2 | Confident | 84.6 | Confident | 77 Ų | 77 | 85.1 Ų | 85.1 | 40% | 0.403 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57.6 | -37.9 | 174.2 | -76.5 | 166 | 0 | 0 | 0 | 111.9 | H704 P712 L790 | H704-L708 WeakPolarHBondContact O-CG 3.43Å; H704-L708 PolarHBondContact O-N 3.2Å; L708-P712 WeakPolarHBondContact O-CD 3.19Å; L708-L790 HydrophobicContact CD2-CD2 3.97Å; L708-L790 HydrophobicContact CG-CD2 4.49Å |
| 709 | R | 84.9 | Confident | 84.6 | Confident | 192 Ų | 192 | 82.9 Ų | 82.9 | 73% | 0.725 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -69.4 | -30.2 | 174.7 | -79.6 | -179.5 | 168.1 | -177.2 | -1.7 | 113.8 | V705 L706 E707 | V705-R709 WeakPolarHBondContact O-CG 3.48Å; V705-R709 PolarHBondContact O-N 2.93Å; L706-R709 PolarHBondContact O-N 3.28Å; E707-R709 PolarHBondContact O-N 2.88Å |
| 710 | Q | 81.9 | Confident | 84.8 | Confident | 102 Ų | 102 | 86.4 Ų | 86.4 | 48% | 0.477 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -84.7 | -24.6 | 178.9 | -71.6 | -175.1 | 48.4 | 0 | 0 | 112.7 | L706 E707 P712 K713 N714 | L706-Q710 WeakPolarHBondContact O-CG 3.46Å; L706-Q710 PolarHBondContact O-N 3.46Å; L706-Q710 VanDerWaalsContact O-N 3.08Å; E707-Q710 PolarHBondContact O-N 2.92Å; Q710-P712 VanDerWaalsContact C-CD 3.5Å; Q710-K713 WeakPolarHBondContact O-CB 3.22Å; Q710-K713 PolarHBondContact O-N 3.22Å; Q710-N714 PolarHBondContact O-N 3.02Å |
| 711 | Q | 80 | Confident | 84.7 | Confident | 39 Ų | 39 | 90.3 Ų | 90.3 | 18% | 0.182 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -50.2 | -46.3 | -176.8 | -165 | -169.9 | 31.2 | 0 | 0 | 113.6 | E707 K713 N714 L715 L790 | E707-Q711 PolarHBondContact O-N 2.99Å; Q711-K713 VanDerWaalsContact C-N 3.26Å; Q711-K713 PolarHBondContact O-N 3.36Å; Q711-N714 PolarHBondContact O-N 3.08Å; Q711-L715 HydrophobicContact CG-CD1 3.83Å; Q711-L715 HydrophobicContact CG-CG 4.25Å; Q711-L715 WeakPolarHBondContact O-CB 3.49Å; Q711-L715 VanDerWaalsContact O-CG 3.26Å; Q711-L715 WeakPolarHBondContact O-CG 3.37Å; Q711-L715 PolarHBondContact O-N 3.31Å; Q711-L790 HydrophobicContact CB-CD2 4.36Å; Q711-L790 VanDerWaalsContact CD-CD2 3.5Å; Q711-L790 HydrophobicContact CG-CD2 4.06Å; Q711-L790 VanDerWaalsContact NE2-CD2 3.29Å |
| 712 | P | 81.8 | Confident | 84.6 | Confident | 69 Ų | 69 | 85.3 Ų | 85.3 | 45% | 0.448 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.9 | -29.9 | 179 | -22.2 | 33.8 | 0 | 0 | 0 | 113.8 | L708 Q710 K716 | L708-P712 WeakPolarHBondContact O-CD 3.19Å; Q710-P712 VanDerWaalsContact C-CD 3.5Å; P712-K716 WeakPolarHBondContact O-CB 3.44Å; P712-K716 VanDerWaalsContact O-CG 3.28Å; P712-K716 WeakPolarHBondContact O-CG 3.1Å; P712-K716 PolarHBondContact O-N 3.3Å; P712-K716 VanDerWaalsContact O-N 3.11Å |
| 713 | K | 80.6 | Confident | 84.6 | Confident | 154 Ų | 154 | 83.9 Ų | 83.9 | 67% | 0.67 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -72 | -43.2 | 177.3 | -65.2 | -177.4 | 179.1 | -179.5 | 0 | 110.7 | Q710 Q711 K716 V717 | Q710-K713 WeakPolarHBondContact O-CB 3.22Å; Q710-K713 PolarHBondContact O-N 3.22Å; Q711-K713 VanDerWaalsContact C-N 3.26Å; Q711-K713 PolarHBondContact O-N 3.36Å; K713-K716 PolarHBondContact O-N 3.13Å; K713-V717 WeakPolarHBondContact O-CG2 3.2Å; K713-V717 PolarHBondContact O-N 3.12Å |
| 714 | N | 79.3 | Confident | 84.8 | Confident | 92 Ų | 92 | 86.3 Ų | 86.3 | 49% | 0.492 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 178.3 | -65.2 | -13.5 | 0 | 0 | 0 | 111.1 | Q710 Q711 K716 V717 L718 | Q710-N714 PolarHBondContact O-N 3.02Å; Q711-N714 PolarHBondContact O-N 3.08Å; N714-K716 PolarHBondContact O-N 3.03Å; N714-V717 PolarHBondContact O-N 2.93Å; N714-L718 PolarHBondContact O-N 2.93Å |
| 715 | L | 83.8 | Confident | 84.6 | Confident | 15 Ų | 15 | 91.2 Ų | 91.2 | 8% | 0.079 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 176.2 | -69 | 172.4 | 0 | 0 | 0 | 112 | Q711 V717 L718 E719 M782 M783 Q786 | Q711-L715 HydrophobicContact CG-CD1 3.83Å; Q711-L715 HydrophobicContact CG-CG 4.25Å; Q711-L715 WeakPolarHBondContact O-CB 3.49Å; Q711-L715 VanDerWaalsContact O-CG 3.26Å; Q711-L715 WeakPolarHBondContact O-CG 3.37Å; Q711-L715 PolarHBondContact O-N 3.31Å; L715-V717 VanDerWaalsContact C-N 3.32Å; L715-V717 PolarHBondContact O-N 3Å; L715-L718 PolarHBondContact O-N 3.4Å; L715-E719 WeakPolarHBondContact O-CB 3.47Å; L715-E719 PolarHBondContact O-N 2.86Å; L715-M782 HydrophobicContact CD2-SD 3.87Å; L715-M783 HydrophobicContact CB-CE 4.43Å; L715-M783 HydrophobicContact CB-SD 3.81Å; L715-M783 HydrophobicContact CD1-CE 3.75Å; L715-M783 HydrophobicContact CD1-SD 3.79Å; L715-M783 HydrophobicContact CD2-SD 3.78Å; L715-M783 HydrophobicContact CG-SD 3.99Å; L715-Q786 HydrophobicContact CD2-CB 3.95Å; L715-Q786 HydrophobicContact CD2-CG 3.87Å; L715-Q786 VanDerWaalsContact CD2-OE1 3.29Å |
| 716 | K | 84.6 | Confident | 84.7 | Confident | 143 Ų | 143 | 90.9 Ų | 90.9 | 62% | 0.622 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60.9 | -36.7 | 175.1 | -82.3 | 178 | -179.9 | -176.1 | 0 | 113.6 | P712 K713 N714 L720 | P712-K716 WeakPolarHBondContact O-CB 3.44Å; P712-K716 VanDerWaalsContact O-CG 3.28Å; P712-K716 WeakPolarHBondContact O-CG 3.1Å; P712-K716 PolarHBondContact O-N 3.3Å; P712-K716 VanDerWaalsContact O-N 3.11Å; K713-K716 PolarHBondContact O-N 3.13Å; N714-K716 PolarHBondContact O-N 3.03Å; K716-L720 WeakPolarHBondContact O-CB 3.34Å; K716-L720 PolarHBondContact O-N 3.07Å |
| 717 | V | 85.1 | Confident | 84.9 | Confident | 99 Ų | 99 | 90.7 Ų | 90.7 | 60% | 0.6 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -66.2 | -43.4 | 176.7 | 174.2 | 0 | 0 | 0 | 0 | 110.2 | K713 N714 L715 L720 Q721 | K713-V717 WeakPolarHBondContact O-CG2 3.2Å; K713-V717 PolarHBondContact O-N 3.12Å; N714-V717 PolarHBondContact O-N 2.93Å; L715-V717 VanDerWaalsContact C-N 3.32Å; L715-V717 PolarHBondContact O-N 3Å; V717-L720 PolarHBondContact O-N 3Å; V717-Q721 PolarHBondContact O-N 3.16Å; V717-Q721 VanDerWaalsContact O-N 3.12Å |
| 718 | L | 83.4 | Confident | 85.1 | Confident | 58 Ų | 58 | 91.1 Ų | 91.1 | 30% | 0.304 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.6 | -41.3 | 179.1 | -153.7 | 65.1 | 0 | 0 | 0 | 111.6 | N714 L715 L720 Q721 I722 M782 Q786 | N714-L718 PolarHBondContact O-N 2.93Å; L715-L718 PolarHBondContact O-N 3.4Å; L718-L720 VanDerWaalsContact C-N 3.33Å; L718-L720 PolarHBondContact O-N 3.19Å; L718-Q721 WeakPolarHBondContact O-CB 3.35Å; L718-Q721 PolarHBondContact O-N 3.33Å; L718-Q721 VanDerWaalsContact O-N 3.15Å; L718-I722 WeakPolarHBondContact O-CG1 3.49Å; L718-I722 PolarHBondContact O-N 2.92Å; L718-M782 HydrophobicContact CB-CE 4.41Å; L718-M782 HydrophobicContact CB-SD 4.47Å; L718-M782 HydrophobicContact CD2-CG 3.63Å; L718-M782 HydrophobicContact CD2-SD 3.72Å; L718-M782 HydrophobicContact CG-CG 4.4Å; L718-M782 HydrophobicContact CG-SD 4.39Å; L718-Q786 VanDerWaalsContact CD2-OE1 3.29Å |
| 719 | E | 86.9 | Confident | 85.2 | Confident | 73 Ų | 73 | 90.3 Ų | 90.3 | 34% | 0.341 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57 | -44.8 | 171.9 | -169.7 | -165.6 | 160.6 | 0 | 0 | 111.3 | L715 Q721 I722 K723 I779 | L715-E719 WeakPolarHBondContact O-CB 3.47Å; L715-E719 PolarHBondContact O-N 2.86Å; E719-Q721 VanDerWaalsContact C-N 3.28Å; E719-Q721 PolarHBondContact O-N 3.41Å; E719-I722 PolarHBondContact O-N 3.06Å; E719-K723 VanDerWaalsContact O-CB 3.29Å; E719-K723 WeakPolarHBondContact O-CB 3.42Å; E719-K723 PolarHBondContact O-N 3.48Å; E719-I779 HydrophobicContact CG-CD1 3.93Å |
| 720 | L | 86.8 | Confident | 85.4 | Confident | 118 Ų | 118 | 82.1 Ų | 82.1 | 62% | 0.618 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63 | -35.5 | 177.7 | -168.4 | 70.6 | 0 | 0 | 0 | 112.1 | K716 V717 L718 K723 K724 | K716-L720 WeakPolarHBondContact O-CB 3.34Å; K716-L720 PolarHBondContact O-N 3.07Å; V717-L720 PolarHBondContact O-N 3Å; L718-L720 VanDerWaalsContact C-N 3.33Å; L718-L720 PolarHBondContact O-N 3.19Å; L720-K723 PolarHBondContact O-N 3.41Å; L720-K724 WeakPolarHBondContact O-CB 3.4Å; L720-K724 PolarHBondContact O-N 2.92Å |
| 721 | Q | 85.9 | Confident | 85.7 | Confident | 108 Ų | 108 | 82.7 Ų | 82.7 | 51% | 0.505 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.2 | -45.1 | 176.4 | -171.4 | 173.5 | -4.6 | 0 | 0 | 111.8 | V717 L718 E719 K723 K724 Q725 | V717-Q721 PolarHBondContact O-N 3.16Å; V717-Q721 VanDerWaalsContact O-N 3.12Å; L718-Q721 WeakPolarHBondContact O-CB 3.35Å; L718-Q721 PolarHBondContact O-N 3.33Å; L718-Q721 VanDerWaalsContact O-N 3.15Å; E719-Q721 VanDerWaalsContact C-N 3.28Å; E719-Q721 PolarHBondContact O-N 3.41Å; Q721-K723 VanDerWaalsContact C-N 3.29Å; Q721-K723 PolarHBondContact O-N 2.88Å; Q721-K724 WeakPolarHBondContact O-CB 3.21Å; Q721-K724 PolarHBondContact O-N 3.26Å; Q721-Q725 WeakPolarHBondContact O-CG 3.49Å; Q721-Q725 PolarHBondContact O-N 3.01Å |
| 722 | I | 85.9 | Confident | 86.1 | Confident | 24 Ų | 24 | 84.4 Ų | 84.4 | 12% | 0.123 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 174.3 | -62.2 | 171.6 | 0 | 0 | 0 | 109.8 | L718 E719 K724 Q725 F726 Y775 I779 M782 | L718-I722 WeakPolarHBondContact O-CG1 3.49Å; L718-I722 PolarHBondContact O-N 2.92Å; E719-I722 PolarHBondContact O-N 3.06Å; I722-K724 VanDerWaalsContact C-N 3.34Å; I722-K724 PolarHBondContact O-N 3.44Å; I722-Q725 PolarHBondContact O-N 3.38Å; I722-F726 PolarHBondContact O-N 2.96Å; I722-Y775 HydrophobicContact CG2-CD2 3.8Å; I722-Y775 HydrophobicContact CG2-CE2 3.79Å; I722-I779 HydrophobicContact CD1-CG1 4.38Å; I722-I779 HydrophobicContact CG2-CG1 4.08Å; I722-M782 HydrophobicContact CD1-CB 4.28Å; I722-M782 HydrophobicContact CD1-CE 3.86Å; I722-M782 HydrophobicContact CD1-CG 4.21Å |
| 723 | K | 87.4 | Confident | 86.3 | Confident | 91 Ų | 91 | 84 Ų | 84 | 40% | 0.396 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 176.1 | -170.1 | 173.1 | -176.1 | 172.1 | 0 | 112.6 | E719 L720 Q721 F726 Q727 Y775 | E719-K723 VanDerWaalsContact O-CB 3.29Å; E719-K723 WeakPolarHBondContact O-CB 3.42Å; E719-K723 PolarHBondContact O-N 3.48Å; L720-K723 PolarHBondContact O-N 3.41Å; Q721-K723 VanDerWaalsContact C-N 3.29Å; Q721-K723 PolarHBondContact O-N 2.88Å; K723-F726 PolarHBondContact O-N 3.16Å; K723-Q727 VanDerWaalsContact O-CG 3.28Å; K723-Q727 WeakPolarHBondContact O-CG 3.32Å; K723-Q727 PolarHBondContact O-N 3.31Å; K723-Y775 HydrophobicContact CB-CE2 4.15Å; K723-Y775 WeakPolarHBondContact CB-OH 3.38Å |
| 724 | K | 90.1 | Very high | 86.5 | Confident | 134 Ų | 134 | 78.9 Ų | 78.9 | 58% | 0.583 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.5 | -45.8 | 174.8 | -174 | 179.9 | 177.9 | -177.5 | 0 | 111.3 | L720 Q721 I722 F726 Q727 D728 | L720-K724 WeakPolarHBondContact O-CB 3.4Å; L720-K724 PolarHBondContact O-N 2.92Å; Q721-K724 WeakPolarHBondContact O-CB 3.21Å; Q721-K724 PolarHBondContact O-N 3.26Å; I722-K724 VanDerWaalsContact C-N 3.34Å; I722-K724 PolarHBondContact O-N 3.44Å; K724-F726 VanDerWaalsContact C-N 3.34Å; K724-F726 PolarHBondContact O-N 3.33Å; K724-Q727 PolarHBondContact O-N 2.99Å; K724-D728 PolarHBondContact O-N 3.26Å |
| 725 | Q | 86.3 | Confident | 86.9 | Confident | 117 Ų | 117 | 82 Ų | 82 | 55% | 0.547 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 176.5 | -71.7 | 178.2 | -14.7 | 0 | 0 | 112.2 | Q721 I722 D728 T729 | Q721-Q725 WeakPolarHBondContact O-CG 3.49Å; Q721-Q725 PolarHBondContact O-N 3.01Å; I722-Q725 PolarHBondContact O-N 3.38Å; Q725-D728 PolarHBondContact O-N 3.14Å; Q725-T729 WeakPolarHBondContact O-CB 3.37Å; Q725-T729 PolarHBondContact O-N 2.95Å; Q725-T729 PolarHBondContact O-OG1 2.87Å |
| 726 | F | 90 | Very high | 86.9 | Confident | 49 Ų | 49 | 86.3 Ų | 86.3 | 22% | 0.215 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 174.6 | 173.6 | -105.3 | 0 | 0 | 0 | 112.3 | I722 K723 K724 D728 T729 C730 L771 A772 Y775 | I722-F726 PolarHBondContact O-N 2.96Å; K723-F726 PolarHBondContact O-N 3.16Å; K724-F726 VanDerWaalsContact C-N 3.34Å; K724-F726 PolarHBondContact O-N 3.33Å; F726-D728 VanDerWaalsContact C-N 3.34Å; F726-D728 PolarHBondContact O-N 3.01Å; F726-T729 PolarHBondContact O-N 3.37Å; F726-C730 WeakPolarHBondContact CZ-SG 3.45Å; F726-C730 WeakPolarHBondContact O-CB 3.45Å; F726-C730 PolarHBondContact O-N 2.94Å; F726-C730 PolarHBondContact O-SG 3.42Å; F726-C730 VanDerWaalsContact O-SG 3.34Å; F726-L771 HydrophobicContact CE2-CB 4.02Å; F726-L771 WeakPolarHBondContact CE2-O 3.28Å; F726-A772 HydrophobicContact CZ-CB 4.32Å; F726-Y775 HydrophobicContact CB-CD2 3.5Å; F726-Y775 VanDerWaalsContact CB-CD2 3.5Å; F726-Y775 HydrophobicContact CB-CE2 3.95Å; F726-Y775 HydrophobicContact CB-CG 4.16Å; F726-Y775 HydrophobicContact CD1-CD2 4.35Å; F726-Y775 HydrophobicContact CD1-CG 4.36Å; F726-Y775 HydrophobicContact CD2-CD2 4.18Å; F726-Y775 AromaticContact CD2-CG 3.98Å; F726-Y775 HydrophobicContact CD2-CG 3.98Å; F726-Y775 HydrophobicContact CE2-CG 4.48Å; F726-Y775 AromaticContact CG-CD2 3.76Å; F726-Y775 HydrophobicContact CG-CD2 3.76Å; F726-Y775 HydrophobicContact CG-CE2 4.35Å; F726-Y775 AromaticContact CG-CG 3.9Å; F726-Y775 HydrophobicContact CG-CG 3.9Å |
| 727 | Q | 87.9 | Confident | 87.1 | Confident | 92 Ų | 92 | 80.9 Ų | 80.9 | 43% | 0.43 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 177 | -75.5 | 176.2 | 2.8 | 0 | 0 | 112.1 | K723 K724 C730 K731 | K723-Q727 VanDerWaalsContact O-CG 3.28Å; K723-Q727 WeakPolarHBondContact O-CG 3.32Å; K723-Q727 PolarHBondContact O-N 3.31Å; K724-Q727 PolarHBondContact O-N 2.99Å; Q727-C730 PolarHBondContact O-N 3.5Å; Q727-K731 VanDerWaalsContact O-CG 3.31Å; Q727-K731 WeakPolarHBondContact O-CG 3.28Å; Q727-K731 PolarHBondContact O-N 3.49Å |
| 728 | D | 89.3 | Confident | 87.1 | Confident | 67 Ų | 67 | 82.8 Ų | 82.8 | 36% | 0.358 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.4 | -38.9 | 178.9 | -69.9 | -21.9 | 0 | 0 | 0 | 111.5 | K724 Q725 F726 K731 V732 | K724-D728 PolarHBondContact O-N 3.26Å; Q725-D728 PolarHBondContact O-N 3.14Å; F726-D728 VanDerWaalsContact C-N 3.34Å; F726-D728 PolarHBondContact O-N 3.01Å; D728-K731 WeakPolarHBondContact O-CB 3.44Å; D728-K731 PolarHBondContact O-N 2.97Å; D728-K731 IonicContact OD1-NZ 3.56Å; D728-K731 PolarHBondContact OD1-NZ 3.21Å; D728-V732 WeakPolarHBondContact O-CG2 3.37Å; D728-V732 PolarHBondContact O-N 2.91Å |
| 729 | T | 87.6 | Confident | 87.2 | Confident | 60 Ų | 60 | 83.1 Ų | 83.1 | 37% | 0.368 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 173 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | Q725 F726 K731 V732 Q733 L771 | Q725-T729 WeakPolarHBondContact O-CB 3.37Å; Q725-T729 PolarHBondContact O-N 2.95Å; Q725-T729 PolarHBondContact O-OG1 2.87Å; F726-T729 PolarHBondContact O-N 3.37Å; T729-K731 PolarHBondContact O-N 3.41Å; T729-V732 PolarHBondContact O-N 3.34Å; T729-Q733 WeakPolarHBondContact O-CG 3.48Å; T729-Q733 PolarHBondContact O-N 2.64Å; T729-L771 HydrophobicContact CG2-CD2 3.63Å |
| 730 | C | 88.1 | Confident | 87.1 | Confident | 21 Ų | 21 | 83.5 Ų | 83.5 | 14% | 0.142 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.8 | -41 | 173.9 | -76.3 | 0 | 0 | 0 | 0 | 112.4 | F726 Q727 Q733 T734 L768 | F726-C730 WeakPolarHBondContact CZ-SG 3.45Å; F726-C730 WeakPolarHBondContact O-CB 3.45Å; F726-C730 PolarHBondContact O-N 2.94Å; F726-C730 PolarHBondContact O-SG 3.42Å; F726-C730 VanDerWaalsContact O-SG 3.34Å; Q727-C730 PolarHBondContact O-N 3.5Å; C730-Q733 PolarHBondContact O-N 3.33Å; C730-T734 WeakPolarHBondContact O-CB 3.48Å; C730-T734 PolarHBondContact O-N 3.33Å; C730-T734 PolarHBondContact O-OG1 3.17Å; C730-L768 HydrophobicContact CB-CD2 4.49Å |
| 731 | K | 89.5 | Confident | 87 | Confident | 113 Ų | 113 | 83.4 Ų | 83.4 | 49% | 0.491 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 175.6 | -72.5 | 170.5 | -161.5 | 157 | 0 | 111.3 | Q727 D728 T729 T734 K735 | Q727-K731 VanDerWaalsContact O-CG 3.31Å; Q727-K731 WeakPolarHBondContact O-CG 3.28Å; Q727-K731 PolarHBondContact O-N 3.49Å; D728-K731 WeakPolarHBondContact O-CB 3.44Å; D728-K731 PolarHBondContact O-N 2.97Å; D728-K731 IonicContact OD1-NZ 3.56Å; D728-K731 PolarHBondContact OD1-NZ 3.21Å; T729-K731 PolarHBondContact O-N 3.41Å; K731-T734 PolarHBondContact O-N 2.62Å; K731-K735 WeakPolarHBondContact O-CG 3.31Å; K731-K735 PolarHBondContact O-N 3.49Å |
| 732 | V | 87.9 | Confident | 87 | Confident | 76 Ų | 76 | 83.9 Ų | 83.9 | 46% | 0.461 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.6 | -49.4 | 177 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | D728 T729 T734 K735 Q736 | D728-V732 WeakPolarHBondContact O-CG2 3.37Å; D728-V732 PolarHBondContact O-N 2.91Å; T729-V732 PolarHBondContact O-N 3.34Å; V732-T734 VanDerWaalsContact C-N 3.28Å; V732-T734 PolarHBondContact O-N 2.78Å; V732-K735 PolarHBondContact O-N 3.2Å; V732-K735 VanDerWaalsContact O-N 3.13Å; V732-Q736 HydrophobicContact CG1-CG 4.4Å; V732-Q736 WeakPolarHBondContact O-CG 3.4Å; V732-Q736 PolarHBondContact O-N 3.02Å |
| 733 | Q | 85.1 | Confident | 86.9 | Confident | 59 Ų | 59 | 87.7 Ų | 87.7 | 28% | 0.276 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.9 | -39.1 | 176.3 | -74.3 | -73.1 | -22.8 | 0 | 0 | 112.3 | T729 C730 Q736 Y737 L771 | T729-Q733 WeakPolarHBondContact O-CG 3.48Å; T729-Q733 PolarHBondContact O-N 2.64Å; C730-Q733 PolarHBondContact O-N 3.33Å; Q733-Q736 PolarHBondContact O-N 3.14Å; Q733-Y737 VanDerWaalsContact O-CB 3.31Å; Q733-Y737 WeakPolarHBondContact O-CB 3.32Å; Q733-Y737 PolarHBondContact O-N 2.92Å; Q733-L771 HydrophobicContact CG-CD1 3.76Å |
| 734 | T | 85 | Confident | 86.7 | Confident | 47 Ų | 47 | 86.7 Ų | 86.7 | 29% | 0.288 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.2 | -39.2 | 176.5 | -58 | 0 | 0 | 0 | 0 | 112.1 | C730 K731 V732 K738 | C730-T734 WeakPolarHBondContact O-CB 3.48Å; C730-T734 PolarHBondContact O-N 3.33Å; C730-T734 PolarHBondContact O-OG1 3.17Å; K731-T734 PolarHBondContact O-N 2.62Å; V732-T734 VanDerWaalsContact C-N 3.28Å; V732-T734 PolarHBondContact O-N 2.78Å; T734-K738 WeakPolarHBondContact O-CG 3.38Å; T734-K738 PolarHBondContact O-N 3.24Å |
| 735 | K | 87.8 | Confident | 86.2 | Confident | 158 Ų | 158 | 82.9 Ų | 82.9 | 69% | 0.687 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -66.1 | -45.5 | 174.3 | -74.9 | 179 | 179.8 | -177.9 | 0 | 111.4 | K731 V732 Y737 K738 A739 | K731-K735 WeakPolarHBondContact O-CG 3.31Å; K731-K735 PolarHBondContact O-N 3.49Å; V732-K735 PolarHBondContact O-N 3.2Å; V732-K735 VanDerWaalsContact O-N 3.13Å; K735-Y737 VanDerWaalsContact C-N 3.32Å; K735-Y737 PolarHBondContact O-N 2.76Å; K735-K738 PolarHBondContact O-N 3.2Å; K735-A739 PolarHBondContact O-N 3.34Å |
| 736 | Q | 84.8 | Confident | 85.9 | Confident | 105 Ų | 105 | 83.5 Ų | 83.5 | 49% | 0.491 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 175.5 | -73.2 | 177 | -14 | 0 | 0 | 111.4 | V732 Q733 A739 L740 | V732-Q736 HydrophobicContact CG1-CG 4.4Å; V732-Q736 WeakPolarHBondContact O-CG 3.4Å; V732-Q736 PolarHBondContact O-N 3.02Å; Q733-Q736 PolarHBondContact O-N 3.14Å; Q736-A739 PolarHBondContact O-N 3.3Å; Q736-L740 VanDerWaalsContact O-CB 3.28Å; Q736-L740 WeakPolarHBondContact O-CB 3.23Å; Q736-L740 PolarHBondContact O-N 3.36Å |
| 737 | Y | 87.4 | Confident | 85.6 | Confident | 29 Ų | 29 | 86 Ų | 86 | 11% | 0.114 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60 | -45.4 | 173.5 | 174.4 | -98.5 | 0 | 0 | 0 | 112.4 | Q733 K735 A739 L740 R741 L760 Q764 | Q733-Y737 VanDerWaalsContact O-CB 3.31Å; Q733-Y737 WeakPolarHBondContact O-CB 3.32Å; Q733-Y737 PolarHBondContact O-N 2.92Å; K735-Y737 VanDerWaalsContact C-N 3.32Å; K735-Y737 PolarHBondContact O-N 2.76Å; Y737-A739 VanDerWaalsContact C-N 3.34Å; Y737-A739 PolarHBondContact O-N 3.21Å; Y737-L740 PolarHBondContact O-N 2.91Å; Y737-R741 HydrophobicContact CE1-CB 4.46Å; Y737-R741 WeakPolarHBondContact O-CB 3.47Å; Y737-R741 PolarHBondContact O-N 2.68Å; Y737-L760 HydrophobicContact CE2-CB 3.88Å; Y737-L760 VanDerWaalsContact CE2-O 3.23Å; Y737-L760 WeakPolarHBondContact CE2-O 3.45Å; Y737-Q764 VanDerWaalsContact CD1-CD 3.43Å; Y737-Q764 HydrophobicContact CD1-CG 4.32Å; Y737-Q764 HydrophobicContact CD2-CB 3.67Å; Y737-Q764 HydrophobicContact CD2-CG 3.82Å; Y737-Q764 HydrophobicContact CE2-CB 3.67Å; Y737-Q764 HydrophobicContact CE2-CG 4.17Å; Y737-Q764 HydrophobicContact CG-CB 4.26Å; Y737-Q764 HydrophobicContact CG-CG 3.89Å; Y737-Q764 VanDerWaalsContact CZ-OE1 3.24Å |
| 738 | K | 85.9 | Confident | 85.2 | Confident | 139 Ų | 139 | 82.7 Ų | 82.7 | 60% | 0.604 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.1 | -43 | 177.2 | -75.4 | 178.8 | -179.4 | -176 | 0 | 111.7 | T734 K735 H742 | T734-K738 WeakPolarHBondContact O-CG 3.38Å; T734-K738 PolarHBondContact O-N 3.24Å; K735-K738 PolarHBondContact O-N 3.2Å; K738-H742 WeakPolarHBondContact O-CB 3.48Å; K738-H742 PolarHBondContact O-N 3.19Å |
| 739 | A | 85.4 | Confident | 84.7 | Confident | 65 Ų | 65 | 83.2 Ų | 83.2 | 54% | 0.537 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K735 Q736 Y737 R741 H742 H743 | K735-A739 PolarHBondContact O-N 3.34Å; Q736-A739 PolarHBondContact O-N 3.3Å; Y737-A739 VanDerWaalsContact C-N 3.34Å; Y737-A739 PolarHBondContact O-N 3.21Å; A739-R741 PolarHBondContact O-N 3.46Å; A739-H742 WeakPolarHBondContact O-CB 3.38Å; A739-H742 PolarHBondContact O-N 2.96Å; A739-H743 PolarHBondContact O-N 3.08Å |
| 740 | L | 84.6 | Confident | 84.1 | Confident | 82 Ų | 82 | 89.3 Ų | 89.3 | 43% | 0.429 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 176.9 | -177.6 | 65.1 | 0 | 0 | 0 | 111.3 | Q736 Y737 H742 H743 Q744 L760 | Q736-L740 VanDerWaalsContact O-CB 3.28Å; Q736-L740 WeakPolarHBondContact O-CB 3.23Å; Q736-L740 PolarHBondContact O-N 3.36Å; Y737-L740 PolarHBondContact O-N 2.91Å; L740-H742 PolarHBondContact O-N 3.36Å; L740-H743 PolarHBondContact O-N 3.1Å; L740-Q744 WeakPolarHBondContact O-CB 3.42Å; L740-Q744 PolarHBondContact O-N 3.21Å; L740-L760 HydrophobicContact CD2-CD2 4.11Å; L740-L760 HydrophobicContact CG-CD2 4.41Å |
| 741 | R | 85.6 | Confident | 83.8 | Confident | 115 Ų | 115 | 93 Ų | 93 | 43% | 0.434 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 174.9 | 179.6 | -177.1 | 171.7 | -165.3 | -2 | 111.2 | Y737 A739 Q744 M745 L757 L760 | Y737-R741 HydrophobicContact CE1-CB 4.46Å; Y737-R741 WeakPolarHBondContact O-CB 3.47Å; Y737-R741 PolarHBondContact O-N 2.68Å; A739-R741 PolarHBondContact O-N 3.46Å; R741-Q744 PolarHBondContact O-N 2.86Å; R741-M745 HydrophobicContact CG-CG 4.4Å; R741-M745 WeakPolarHBondContact O-CB 3.32Å; R741-M745 WeakPolarHBondContact O-CG 3.26Å; R741-M745 PolarHBondContact O-N 3.07Å; R741-L757 HydrophobicContact CG-CD2 3.9Å; R741-L760 HydrophobicContact CB-CD1 4.48Å |
| 742 | H | 84.7 | Confident | 83.5 | Confident | 118 Ų | 118 | 93 Ų | 93 | 55% | 0.546 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.2 | -51.7 | 178 | -171.7 | -83.6 | 0 | 0 | 0 | 111.1 | K738 A739 L740 Q744 M745 E746 | K738-H742 WeakPolarHBondContact O-CB 3.48Å; K738-H742 PolarHBondContact O-N 3.19Å; A739-H742 WeakPolarHBondContact O-CB 3.38Å; A739-H742 PolarHBondContact O-N 2.96Å; L740-H742 PolarHBondContact O-N 3.36Å; H742-Q744 PolarHBondContact O-N 3.44Å; H742-M745 PolarHBondContact O-N 2.91Å; H742-E746 VanDerWaalsContact CE1-CD 3.47Å; H742-E746 IonicContact CE1-OE1 3.92Å; H742-E746 PolarHBondContact CE1-OE1 3.12Å; H742-E746 IonicContact CE1-OE2 2.84Å; H742-E746 IonicContact ND1-OE1 3.25Å; H742-E746 PolarHBondContact ND1-OE1 3.19Å; H742-E746 IonicContact ND1-OE2 2.7Å; H742-E746 PolarHBondContact ND1-OE2 3.45Å; H742-E746 PolarHBondContact O-N 2.86Å; H742-E746 VanDerWaalsContact O-N 3.13Å |
| 743 | H | 85.1 | Confident | 83.1 | Confident | 105 Ų | 105 | 91 Ų | 91 | 49% | 0.486 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 178.2 | -175.7 | 63 | 0 | 0 | 0 | 112.4 | A739 L740 M745 E746 V747 | A739-H743 PolarHBondContact O-N 3.08Å; L740-H743 PolarHBondContact O-N 3.1Å; H743-M745 VanDerWaalsContact C-N 3.26Å; H743-M745 PolarHBondContact O-N 3.32Å; H743-E746 PolarHBondContact O-N 3.5Å; H743-E746 VanDerWaalsContact O-N 3.15Å; H743-V747 WeakPolarHBondContact O-CG2 3.14Å; H743-V747 PolarHBondContact O-N 3.25Å; H743-V747 VanDerWaalsContact O-N 3.13Å |
| 744 | Q | 81.8 | Confident | 83.1 | Confident | 69 Ų | 69 | 96.9 Ų | 96.9 | 32% | 0.322 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.8 | -34 | 179.2 | -142.7 | 70.6 | 18.8 | 0 | 0 | 112 | L740 R741 H742 T748 V756 L760 | L740-Q744 WeakPolarHBondContact O-CB 3.42Å; L740-Q744 PolarHBondContact O-N 3.21Å; R741-Q744 PolarHBondContact O-N 2.86Å; H742-Q744 PolarHBondContact O-N 3.44Å; Q744-T748 WeakPolarHBondContact O-CB 3.41Å; Q744-T748 PolarHBondContact O-N 3.44Å; Q744-T748 PolarHBondContact O-OG1 3.33Å; Q744-V756 HydrophobicContact CB-CG1 4.42Å; Q744-V756 HydrophobicContact CG-CG1 3.72Å; Q744-L760 HydrophobicContact CB-CD1 3.99Å; Q744-L760 HydrophobicContact CG-CD1 4.26Å |
| 745 | M | 80.5 | Confident | 83 | Confident | 54 Ų | 54 | 99.6 Ų | 99.6 | 27% | 0.266 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.6 | -27.2 | 177.4 | -68.3 | -65.6 | -64.3 | 0 | 0 | 113.1 | R741 H742 H743 H753 L757 | R741-M745 HydrophobicContact CG-CG 4.4Å; R741-M745 WeakPolarHBondContact O-CB 3.32Å; R741-M745 WeakPolarHBondContact O-CG 3.26Å; R741-M745 PolarHBondContact O-N 3.07Å; H742-M745 PolarHBondContact O-N 2.91Å; H743-M745 VanDerWaalsContact C-N 3.26Å; H743-M745 PolarHBondContact O-N 3.32Å; M745-H753 HydrophobicContact CE-CB 3.9Å; M745-H753 VanDerWaalsContact CE-CG 3.49Å; M745-H753 WeakPolarHBondContact CE-ND1 3.41Å; M745-H753 PolarHBondContact O-NE2 3.44Å; M745-H753 HydrophobicContact SD-CB 4.27Å; M745-L757 HydrophobicContact CE-CD1 3.98Å; M745-L757 HydrophobicContact CE-CG 4.39Å; M745-L757 HydrophobicContact CG-CD2 4.33Å; M745-L757 HydrophobicContact SD-CD1 3.91Å; M745-L757 HydrophobicContact SD-CD2 3.73Å; M745-L757 HydrophobicContact SD-CG 3.63Å |
| 746 | E | 80.5 | Confident | 82.7 | Confident | 130 Ų | 130 | 93.7 Ų | 93.7 | 61% | 0.607 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -75.1 | -36.2 | 173.9 | -71.3 | 175.3 | 144.7 | 0 | 0 | 112.6 | H742 H743 | H742-E746 VanDerWaalsContact CE1-CD 3.47Å; H742-E746 IonicContact CE1-OE1 3.92Å; H742-E746 PolarHBondContact CE1-OE1 3.12Å; H742-E746 IonicContact CE1-OE2 2.84Å; H742-E746 IonicContact ND1-OE1 3.25Å; H742-E746 PolarHBondContact ND1-OE1 3.19Å; H742-E746 IonicContact ND1-OE2 2.7Å; H742-E746 PolarHBondContact ND1-OE2 3.45Å; H742-E746 PolarHBondContact O-N 2.86Å; H742-E746 VanDerWaalsContact O-N 3.13Å; H743-E746 PolarHBondContact O-N 3.5Å; H743-E746 VanDerWaalsContact O-N 3.15Å |
| 747 | V | 82.4 | Confident | 82.6 | Confident | 101 Ų | 101 | 90.8 Ų | 90.8 | 61% | 0.612 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -89.2 | -23.8 | -174.6 | -176.9 | 0 | 0 | 0 | 0 | 112.8 | H743 | H743-V747 WeakPolarHBondContact O-CG2 3.14Å; H743-V747 PolarHBondContact O-N 3.25Å; H743-V747 VanDerWaalsContact O-N 3.13Å |
| 748 | T | 79.7 | Confident | 82.6 | Confident | 23 Ų | 23 | 96.1 Ų | 96.1 | 14% | 0.141 | 49% | 0.491 | C | S | . | . | S | Bend | trans | -92.8 | 140.4 | -174.4 | -48.6 | 0 | 0 | 0 | 0 | 112.2 | Q744 E752 H753 V756 | Q744-T748 WeakPolarHBondContact O-CB 3.41Å; Q744-T748 PolarHBondContact O-N 3.44Å; Q744-T748 PolarHBondContact O-OG1 3.33Å; T748-E752 HydrophobicContact CG2-CB 3.95Å; T748-H753 PolarHBondContact O-CD2 3.49Å; T748-H753 PolarHBondContact O-NE2 3.32Å; T748-V756 HydrophobicContact CG2-CG2 4Å |
| 749 | P | 80 | Confident | 82.5 | Confident | 79 Ų | 79 | 92.3 Ų | 92.3 | 51% | 0.513 | 49% | 0.485 | S | S | . | . | trans | -62.5 | 145.4 | 173.2 | -22.3 | 33.1 | 0 | 0 | 0 | 114 | A751 E752 H753 | P749-A751 PolarHBondContact O-N 3.25Å; P749-A751 VanDerWaalsContact O-N 3.07Å; P749-E752 PolarHBondContact O-N 3.13Å; P749-H753 PolarHBondContact O-CD2 3.23Å | ||
| 750 | K | 74.8 | Confident | 82.5 | Confident | 187 Ų | 187 | 90.4 Ų | 90.4 | 81% | 0.813 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -28.2 | -175.5 | -71.5 | -176.1 | 179.5 | 177.7 | 0 | 115 | E752 | K750-E752 VanDerWaalsContact C-N 3.25Å; K750-E752 PolarHBondContact O-N 3.14Å |
| 751 | A | 80.6 | Confident | 82.5 | Confident | 100 Ų | 100 | 92.6 Ų | 92.6 | 83% | 0.826 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -26.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | P749 | P749-A751 PolarHBondContact O-N 3.25Å; P749-A751 VanDerWaalsContact O-N 3.07Å |
| 752 | E | 83.4 | Confident | 82.5 | Confident | 112 Ų | 112 | 91.1 Ų | 91.1 | 52% | 0.523 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -7.3 | -174.4 | -64.9 | -179.8 | -172.3 | 0 | 0 | 113.5 | T748 P749 K750 K754 T755 V756 | T748-E752 HydrophobicContact CG2-CB 3.95Å; P749-E752 PolarHBondContact O-N 3.13Å; K750-E752 VanDerWaalsContact C-N 3.25Å; K750-E752 PolarHBondContact O-N 3.14Å; E752-K754 VanDerWaalsContact C-N 3.25Å; E752-K754 PolarHBondContact O-N 2.99Å; E752-K754 VanDerWaalsContact O-N 3.14Å; E752-T755 PolarHBondContact O-N 3.44Å; E752-V756 PolarHBondContact O-N 3.44Å; E752-V756 VanDerWaalsContact O-N 3.08Å |
| 753 | H | 81 | Confident | 82.5 | Confident | 35 Ų | 35 | 88.9 Ų | 88.9 | 16% | 0.162 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -51.1 | -41 | -178.1 | -79 | -171.3 | 0 | 0 | 0 | 113.4 | M745 T748 P749 T755 L757 | M745-H753 HydrophobicContact CE-CB 3.9Å; M745-H753 VanDerWaalsContact CE-CG 3.49Å; M745-H753 WeakPolarHBondContact CE-ND1 3.41Å; M745-H753 PolarHBondContact O-NE2 3.44Å; M745-H753 HydrophobicContact SD-CB 4.27Å; T748-H753 PolarHBondContact O-CD2 3.49Å; T748-H753 PolarHBondContact O-NE2 3.32Å; P749-H753 PolarHBondContact O-CD2 3.23Å; H753-T755 VanDerWaalsContact C-N 3.35Å; H753-T755 PolarHBondContact O-N 2.98Å; H753-L757 VanDerWaalsContact O-CB 3.25Å; H753-L757 WeakPolarHBondContact O-CB 3.3Å; H753-L757 WeakPolarHBondContact O-CD1 3.26Å; H753-L757 WeakPolarHBondContact O-CG 3.48Å; H753-L757 PolarHBondContact O-N 2.98Å |
| 754 | K | 83.6 | Confident | 82.4 | Confident | 181 Ų | 181 | 86 Ų | 86 | 79% | 0.787 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.8 | -40.4 | -179 | -171.4 | 178.7 | 179.8 | -178.7 | 0 | 112.1 | E752 K758 | E752-K754 VanDerWaalsContact C-N 3.25Å; E752-K754 PolarHBondContact O-N 2.99Å; E752-K754 VanDerWaalsContact O-N 3.14Å; K754-K758 PolarHBondContact O-N 3.49Å |
| 755 | T | 82.6 | Confident | 82.6 | Confident | 104 Ų | 104 | 86.7 Ų | 86.7 | 64% | 0.638 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -74.2 | -43.8 | -177.8 | -44.5 | 0 | 0 | 0 | 0 | 110.6 | E752 H753 K758 A759 | E752-T755 PolarHBondContact O-N 3.44Å; H753-T755 VanDerWaalsContact C-N 3.35Å; H753-T755 PolarHBondContact O-N 2.98Å; T755-K758 PolarHBondContact O-N 3.07Å; T755-A759 PolarHBondContact O-N 2.94Å |
| 756 | V | 82.6 | Confident | 83 | Confident | 35 Ų | 35 | 91.2 Ų | 91.2 | 21% | 0.212 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 177.4 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | Q744 T748 E752 K758 A759 L760 | Q744-V756 HydrophobicContact CB-CG1 4.42Å; Q744-V756 HydrophobicContact CG-CG1 3.72Å; T748-V756 HydrophobicContact CG2-CG2 4Å; E752-V756 PolarHBondContact O-N 3.44Å; E752-V756 VanDerWaalsContact O-N 3.08Å; V756-K758 VanDerWaalsContact C-N 3.33Å; V756-K758 PolarHBondContact O-N 3.38Å; V756-A759 PolarHBondContact O-N 3Å; V756-L760 HydrophobicContact CG1-CD1 3.92Å; V756-L760 HydrophobicContact CG1-CG 4.31Å; V756-L760 WeakPolarHBondContact O-CB 3.22Å; V756-L760 WeakPolarHBondContact O-CG 3.47Å; V756-L760 PolarHBondContact O-N 3.36Å |
| 757 | L | 83.3 | Confident | 83.2 | Confident | 44 Ų | 44 | 89.6 Ų | 89.6 | 23% | 0.23 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 175 | -77.9 | 170.1 | 0 | 0 | 0 | 112.6 | R741 M745 H753 K761 | R741-L757 HydrophobicContact CG-CD2 3.9Å; M745-L757 HydrophobicContact CE-CD1 3.98Å; M745-L757 HydrophobicContact CE-CG 4.39Å; M745-L757 HydrophobicContact CG-CD2 4.33Å; M745-L757 HydrophobicContact SD-CD1 3.91Å; M745-L757 HydrophobicContact SD-CD2 3.73Å; M745-L757 HydrophobicContact SD-CG 3.63Å; H753-L757 VanDerWaalsContact O-CB 3.25Å; H753-L757 WeakPolarHBondContact O-CB 3.3Å; H753-L757 WeakPolarHBondContact O-CD1 3.26Å; H753-L757 WeakPolarHBondContact O-CG 3.48Å; H753-L757 PolarHBondContact O-N 2.98Å; L757-K761 VanDerWaalsContact O-CB 3.3Å; L757-K761 WeakPolarHBondContact O-CB 3.31Å; L757-K761 PolarHBondContact O-N 2.98Å |
| 758 | K | 86.5 | Confident | 83.4 | Confident | 141 Ų | 141 | 87.4 Ų | 87.4 | 61% | 0.613 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.9 | -49.9 | 176 | -173.1 | -178.6 | 176.4 | -172.9 | 0 | 110.8 | K754 T755 V756 L760 K761 D762 | K754-K758 PolarHBondContact O-N 3.49Å; T755-K758 PolarHBondContact O-N 3.07Å; V756-K758 VanDerWaalsContact C-N 3.33Å; V756-K758 PolarHBondContact O-N 3.38Å; K758-L760 PolarHBondContact O-N 2.96Å; K758-K761 PolarHBondContact O-N 3.42Å; K758-K761 VanDerWaalsContact O-N 3.15Å; K758-D762 VanDerWaalsContact O-CG 3.26Å; K758-D762 PolarHBondContact O-N 3.45Å |
| 759 | A | 84.1 | Confident | 83.8 | Confident | 58 Ų | 58 | 89.1 Ų | 89.1 | 48% | 0.479 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T755 V756 K761 D762 E763 | T755-A759 PolarHBondContact O-N 2.94Å; V756-A759 PolarHBondContact O-N 3Å; A759-K761 VanDerWaalsContact C-N 3.35Å; A759-K761 PolarHBondContact O-N 3.18Å; A759-D762 PolarHBondContact O-N 3.29Å; A759-E763 WeakPolarHBondContact O-CB 3.43Å; A759-E763 PolarHBondContact O-N 2.96Å |
| 760 | L | 84.8 | Confident | 84.2 | Confident | 25 Ų | 25 | 89.1 Ų | 89.1 | 13% | 0.131 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 175 | -78.4 | 174.9 | 0 | 0 | 0 | 111.6 | Y737 L740 R741 Q744 V756 K758 E763 Q764 | Y737-L760 HydrophobicContact CE2-CB 3.88Å; Y737-L760 VanDerWaalsContact CE2-O 3.23Å; Y737-L760 WeakPolarHBondContact CE2-O 3.45Å; L740-L760 HydrophobicContact CD2-CD2 4.11Å; L740-L760 HydrophobicContact CG-CD2 4.41Å; R741-L760 HydrophobicContact CB-CD1 4.48Å; Q744-L760 HydrophobicContact CB-CD1 3.99Å; Q744-L760 HydrophobicContact CG-CD1 4.26Å; V756-L760 HydrophobicContact CG1-CD1 3.92Å; V756-L760 HydrophobicContact CG1-CG 4.31Å; V756-L760 WeakPolarHBondContact O-CB 3.22Å; V756-L760 WeakPolarHBondContact O-CG 3.47Å; V756-L760 PolarHBondContact O-N 3.36Å; K758-L760 PolarHBondContact O-N 2.96Å; L760-E763 PolarHBondContact O-N 3.24Å; L760-Q764 WeakPolarHBondContact O-CB 3.39Å; L760-Q764 PolarHBondContact O-N 3.05Å |
| 761 | K | 84.7 | Confident | 84.8 | Confident | 129 Ų | 129 | 81.4 Ų | 81.4 | 56% | 0.561 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66.9 | -40.4 | 178.2 | -170.6 | -179.2 | 179.7 | -174.5 | 0 | 112.2 | L757 K758 A759 E763 Q764 T765 | L757-K761 VanDerWaalsContact O-CB 3.3Å; L757-K761 WeakPolarHBondContact O-CB 3.31Å; L757-K761 PolarHBondContact O-N 2.98Å; K758-K761 PolarHBondContact O-N 3.42Å; K758-K761 VanDerWaalsContact O-N 3.15Å; A759-K761 VanDerWaalsContact C-N 3.35Å; A759-K761 PolarHBondContact O-N 3.18Å; K761-E763 VanDerWaalsContact C-N 3.35Å; K761-Q764 PolarHBondContact O-N 2.71Å; K761-T765 WeakPolarHBondContact O-CB 3.42Å; K761-T765 PolarHBondContact O-N 3.31Å; K761-T765 PolarHBondContact O-OG1 3.06Å |
| 762 | D | 85.4 | Confident | 85 | Confident | 84 Ų | 84 | 78.3 Ų | 78.3 | 45% | 0.449 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 175.9 | -65.8 | -16.9 | 0 | 0 | 0 | 110.5 | K758 A759 T765 R766 | K758-D762 VanDerWaalsContact O-CG 3.26Å; K758-D762 PolarHBondContact O-N 3.45Å; A759-D762 PolarHBondContact O-N 3.29Å; D762-T765 PolarHBondContact O-N 2.98Å; D762-R766 PolarHBondContact O-N 2.77Å |
| 763 | E | 84.9 | Confident | 85.4 | Confident | 71 Ų | 71 | 79.3 Ų | 79.3 | 33% | 0.332 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.4 | -40 | 175.4 | -173.9 | 61.6 | -159.2 | 0 | 0 | 112.5 | A759 L760 K761 T765 R766 K767 | A759-E763 WeakPolarHBondContact O-CB 3.43Å; A759-E763 PolarHBondContact O-N 2.96Å; L760-E763 PolarHBondContact O-N 3.24Å; K761-E763 VanDerWaalsContact C-N 3.35Å; E763-T765 VanDerWaalsContact C-N 3.33Å; E763-T765 PolarHBondContact O-N 2.81Å; E763-R766 PolarHBondContact O-N 3.35Å; E763-R766 IonicContact OE2-CZ 3.71Å; E763-R766 IonicContact OE2-NH1 2.84Å; E763-R766 PolarHBondContact OE2-NH1 2.94Å; E763-K767 WeakPolarHBondContact O-CG 3.45Å; E763-K767 PolarHBondContact O-N 3.01Å; E763-K767 VanDerWaalsContact OE1-CE 3.22Å; E763-K767 WeakPolarHBondContact OE1-CE 3.46Å |
| 764 | Q | 84.2 | Confident | 85.7 | Confident | 43 Ų | 43 | 82.9 Ų | 82.9 | 20% | 0.201 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 172.5 | -172.8 | -171.5 | 14.9 | 0 | 0 | 111.3 | Y737 L760 K761 K767 L768 | Y737-Q764 VanDerWaalsContact CD1-CD 3.43Å; Y737-Q764 HydrophobicContact CD1-CG 4.32Å; Y737-Q764 HydrophobicContact CD2-CB 3.67Å; Y737-Q764 HydrophobicContact CD2-CG 3.82Å; Y737-Q764 HydrophobicContact CE2-CB 3.67Å; Y737-Q764 HydrophobicContact CE2-CG 4.17Å; Y737-Q764 HydrophobicContact CG-CB 4.26Å; Y737-Q764 HydrophobicContact CG-CG 3.89Å; Y737-Q764 VanDerWaalsContact CZ-OE1 3.24Å; L760-Q764 WeakPolarHBondContact O-CB 3.39Å; L760-Q764 PolarHBondContact O-N 3.05Å; K761-Q764 PolarHBondContact O-N 2.71Å; Q764-K767 PolarHBondContact O-N 3.44Å; Q764-L768 HydrophobicContact CG-CD1 4.15Å; Q764-L768 WeakPolarHBondContact O-CB 3.45Å; Q764-L768 WeakPolarHBondContact O-CG 3.37Å; Q764-L768 PolarHBondContact O-N 3.03Å |
| 765 | T | 85.1 | Confident | 85.9 | Confident | 85 Ų | 85 | 76.2 Ų | 76.2 | 52% | 0.521 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | -179.9 | -53.4 | 0 | 0 | 0 | 0 | 110.6 | K761 D762 E763 L768 A769 | K761-T765 WeakPolarHBondContact O-CB 3.42Å; K761-T765 PolarHBondContact O-N 3.31Å; K761-T765 PolarHBondContact O-OG1 3.06Å; D762-T765 PolarHBondContact O-N 2.98Å; E763-T765 VanDerWaalsContact C-N 3.33Å; E763-T765 PolarHBondContact O-N 2.81Å; T765-L768 PolarHBondContact O-N 3.44Å; T765-A769 WeakPolarHBondContact O-CB 3.48Å; T765-A769 PolarHBondContact O-N 3.2Å |
| 766 | R | 88.4 | Confident | 86.2 | Confident | 148 Ų | 148 | 77.2 Ų | 77.2 | 56% | 0.558 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61.9 | -47.5 | 175.2 | -171.6 | -172 | -65 | 156.8 | -8.8 | 112.3 | D762 E763 L768 A769 I770 | D762-R766 PolarHBondContact O-N 2.77Å; E763-R766 PolarHBondContact O-N 3.35Å; E763-R766 IonicContact OE2-CZ 3.71Å; E763-R766 IonicContact OE2-NH1 2.84Å; E763-R766 PolarHBondContact OE2-NH1 2.94Å; R766-L768 VanDerWaalsContact C-N 3.35Å; R766-L768 PolarHBondContact O-N 2.8Å; R766-A769 WeakPolarHBondContact O-CB 3.23Å; R766-A769 PolarHBondContact O-N 3.01Å; R766-I770 HydrophobicContact CG-CD1 4.25Å; R766-I770 WeakPolarHBondContact O-CG1 3.41Å; R766-I770 PolarHBondContact O-N 2.82Å |
| 767 | K | 86.1 | Confident | 86.5 | Confident | 97 Ų | 97 | 80.5 Ų | 80.5 | 42% | 0.422 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 178.4 | -75 | -176.9 | 177.9 | -179.2 | 0 | 112.3 | E763 Q764 A769 I770 L771 | E763-K767 WeakPolarHBondContact O-CG 3.45Å; E763-K767 PolarHBondContact O-N 3.01Å; E763-K767 VanDerWaalsContact OE1-CE 3.22Å; E763-K767 WeakPolarHBondContact OE1-CE 3.46Å; Q764-K767 PolarHBondContact O-N 3.44Å; K767-A769 VanDerWaalsContact C-N 3.35Å; K767-I770 PolarHBondContact O-N 3.47Å; K767-L771 WeakPolarHBondContact O-CB 3.42Å; K767-L771 WeakPolarHBondContact O-CD1 3.17Å; K767-L771 PolarHBondContact O-N 3.03Å |
| 768 | L | 85.9 | Confident | 86.7 | Confident | 55 Ų | 55 | 80.9 Ų | 80.9 | 29% | 0.288 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.2 | -35.6 | 175 | -72.7 | 172.6 | 0 | 0 | 0 | 112.4 | C730 Q764 T765 R766 L771 A772 | C730-L768 HydrophobicContact CB-CD2 4.49Å; Q764-L768 HydrophobicContact CG-CD1 4.15Å; Q764-L768 WeakPolarHBondContact O-CB 3.45Å; Q764-L768 WeakPolarHBondContact O-CG 3.37Å; Q764-L768 PolarHBondContact O-N 3.03Å; T765-L768 PolarHBondContact O-N 3.44Å; R766-L768 VanDerWaalsContact C-N 3.35Å; R766-L768 PolarHBondContact O-N 2.8Å; L768-L771 PolarHBondContact O-N 2.73Å; L768-A772 WeakPolarHBondContact O-CB 3.38Å; L768-A772 PolarHBondContact O-N 2.81Å |
| 769 | A | 87.3 | Confident | 86.7 | Confident | 58 Ų | 58 | 75.2 Ų | 75.2 | 48% | 0.479 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T765 R766 K767 L771 A772 E773 | T765-A769 WeakPolarHBondContact O-CB 3.48Å; T765-A769 PolarHBondContact O-N 3.2Å; R766-A769 WeakPolarHBondContact O-CB 3.23Å; R766-A769 PolarHBondContact O-N 3.01Å; K767-A769 VanDerWaalsContact C-N 3.35Å; A769-L771 VanDerWaalsContact C-N 3.33Å; A769-L771 PolarHBondContact O-N 3.27Å; A769-A772 WeakPolarHBondContact O-CB 3.37Å; A769-A772 PolarHBondContact O-N 3Å; A769-A772 VanDerWaalsContact O-N 3.15Å; A769-E773 PolarHBondContact O-N 3.06Å |
| 770 | I | 88.7 | Confident | 86.9 | Confident | 80 Ų | 80 | 77.6 Ų | 77.6 | 41% | 0.41 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 175.4 | -66.3 | 166.6 | 0 | 0 | 0 | 110.8 | R766 K767 A772 E773 Q774 | R766-I770 HydrophobicContact CG-CD1 4.25Å; R766-I770 WeakPolarHBondContact O-CG1 3.41Å; R766-I770 PolarHBondContact O-N 2.82Å; K767-I770 PolarHBondContact O-N 3.47Å; I770-A772 VanDerWaalsContact C-N 3.3Å; I770-A772 PolarHBondContact O-N 2.96Å; I770-E773 PolarHBondContact O-N 2.82Å; I770-Q774 HydrophobicContact CG2-CG 4.49Å; I770-Q774 WeakPolarHBondContact O-CB 3.1Å; I770-Q774 WeakPolarHBondContact O-CG 3.06Å; I770-Q774 PolarHBondContact O-N 3.34Å |
| 771 | L | 87.5 | Confident | 87.1 | Confident | 24 Ų | 24 | 81.7 Ų | 81.7 | 13% | 0.126 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.2 | -38.4 | 175 | -88.6 | 153.5 | 0 | 0 | 0 | 112.1 | F726 T729 Q733 K767 L768 A769 Y775 | F726-L771 HydrophobicContact CE2-CB 4.02Å; F726-L771 WeakPolarHBondContact CE2-O 3.28Å; T729-L771 HydrophobicContact CG2-CD2 3.63Å; Q733-L771 HydrophobicContact CG-CD1 3.76Å; K767-L771 WeakPolarHBondContact O-CB 3.42Å; K767-L771 WeakPolarHBondContact O-CD1 3.17Å; K767-L771 PolarHBondContact O-N 3.03Å; L768-L771 PolarHBondContact O-N 2.73Å; A769-L771 VanDerWaalsContact C-N 3.33Å; A769-L771 PolarHBondContact O-N 3.27Å; L771-Y775 WeakPolarHBondContact O-CB 3.46Å; L771-Y775 PolarHBondContact O-N 2.95Å |
| 772 | A | 85.4 | Confident | 87.3 | Confident | 36 Ų | 36 | 76.8 Ų | 76.8 | 30% | 0.298 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.5 | -41.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F726 L768 A769 I770 Y775 E776 | F726-A772 HydrophobicContact CZ-CB 4.32Å; L768-A772 WeakPolarHBondContact O-CB 3.38Å; L768-A772 PolarHBondContact O-N 2.81Å; A769-A772 WeakPolarHBondContact O-CB 3.37Å; A769-A772 PolarHBondContact O-N 3Å; A769-A772 VanDerWaalsContact O-N 3.15Å; I770-A772 VanDerWaalsContact C-N 3.3Å; I770-A772 PolarHBondContact O-N 2.96Å; A772-Y775 WeakPolarHBondContact O-CB 3.32Å; A772-Y775 PolarHBondContact O-N 3.47Å; A772-E776 PolarHBondContact O-N 3.44Å |
| 773 | E | 90.4 | Very high | 87.2 | Confident | 132 Ų | 132 | 76.2 Ų | 76.2 | 62% | 0.617 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.7 | -43.9 | 175.1 | -172.2 | 174.4 | -164.6 | 0 | 0 | 111.7 | A769 I770 Y775 E776 Q777 | A769-E773 PolarHBondContact O-N 3.06Å; I770-E773 PolarHBondContact O-N 2.82Å; E773-Y775 VanDerWaalsContact C-N 3.29Å; E773-Y775 PolarHBondContact O-N 3.35Å; E773-E776 PolarHBondContact O-N 3.34Å; E773-Q777 WeakPolarHBondContact O-CB 3.33Å; E773-Q777 PolarHBondContact O-N 3.41Å |
| 774 | Q | 88 | Confident | 87.2 | Confident | 111 Ų | 111 | 75.8 Ų | 75.8 | 52% | 0.519 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.3 | -36.6 | 173.9 | -74 | 176.4 | -11 | 0 | 0 | 112.6 | I770 S778 | I770-Q774 HydrophobicContact CG2-CG 4.49Å; I770-Q774 WeakPolarHBondContact O-CB 3.1Å; I770-Q774 WeakPolarHBondContact O-CG 3.06Å; I770-Q774 PolarHBondContact O-N 3.34Å; Q774-S778 VanDerWaalsContact O-CB 3.26Å; Q774-S778 WeakPolarHBondContact O-CB 3.44Å; Q774-S778 PolarHBondContact O-N 3.14Å |
| 775 | Y | 88.7 | Confident | 87.4 | Confident | 41 Ų | 41 | 76 Ų | 76 | 16% | 0.161 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.7 | -47.1 | 175.1 | 166.6 | -98.7 | 0 | 0 | 0 | 112.1 | I722 K723 F726 L771 A772 E773 Q777 S778 I779 | I722-Y775 HydrophobicContact CG2-CD2 3.8Å; I722-Y775 HydrophobicContact CG2-CE2 3.79Å; K723-Y775 HydrophobicContact CB-CE2 4.15Å; K723-Y775 WeakPolarHBondContact CB-OH 3.38Å; F726-Y775 HydrophobicContact CB-CD2 3.5Å; F726-Y775 VanDerWaalsContact CB-CD2 3.5Å; F726-Y775 HydrophobicContact CB-CE2 3.95Å; F726-Y775 HydrophobicContact CB-CG 4.16Å; F726-Y775 HydrophobicContact CD1-CD2 4.35Å; F726-Y775 HydrophobicContact CD1-CG 4.36Å; F726-Y775 HydrophobicContact CD2-CD2 4.18Å; F726-Y775 AromaticContact CD2-CG 3.98Å; F726-Y775 HydrophobicContact CD2-CG 3.98Å; F726-Y775 HydrophobicContact CE2-CG 4.48Å; F726-Y775 AromaticContact CG-CD2 3.76Å; F726-Y775 HydrophobicContact CG-CD2 3.76Å; F726-Y775 HydrophobicContact CG-CE2 4.35Å; F726-Y775 AromaticContact CG-CG 3.9Å; F726-Y775 HydrophobicContact CG-CG 3.9Å; L771-Y775 WeakPolarHBondContact O-CB 3.46Å; L771-Y775 PolarHBondContact O-N 2.95Å; A772-Y775 WeakPolarHBondContact O-CB 3.32Å; A772-Y775 PolarHBondContact O-N 3.47Å; E773-Y775 VanDerWaalsContact C-N 3.29Å; E773-Y775 PolarHBondContact O-N 3.35Å; Y775-Q777 VanDerWaalsContact C-N 3.34Å; Y775-Q777 PolarHBondContact O-N 2.95Å; Y775-S778 PolarHBondContact O-N 3.37Å; Y775-I779 HydrophobicContact CD1-CD1 4.26Å; Y775-I779 HydrophobicContact CD2-CD1 4.2Å; Y775-I779 HydrophobicContact CE1-CD1 3.56Å; Y775-I779 HydrophobicContact CE2-CD1 3.5Å; Y775-I779 VanDerWaalsContact CE2-CD1 3.5Å; Y775-I779 HydrophobicContact CE2-CG1 4.24Å; Y775-I779 PolarHBondContact O-N 2.98Å; Y775-I779 WeakPolarHBondContact OH-CD1 3.17Å |
| 776 | E | 87.7 | Confident | 87.4 | Confident | 124 Ų | 124 | 75.1 Ų | 75.1 | 58% | 0.579 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.8 | -43.1 | 176.4 | -75.8 | -175.5 | 175.6 | 0 | 0 | 111.6 | A772 E773 I779 N780 | A772-E776 PolarHBondContact O-N 3.44Å; E773-E776 PolarHBondContact O-N 3.34Å; E776-I779 PolarHBondContact O-N 2.89Å; E776-N780 WeakPolarHBondContact O-CB 3.35Å; E776-N780 VanDerWaalsContact O-CG 3.31Å; E776-N780 PolarHBondContact O-N 2.95Å; E776-N780 PolarHBondContact O-ND2 2.85Å |
| 777 | Q | 89.6 | Confident | 87.2 | Confident | 105 Ų | 105 | 69.9 Ų | 69.9 | 49% | 0.491 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 175.5 | -172.9 | 175.7 | 0.6 | 0 | 0 | 111.6 | E773 Y775 I779 N780 E781 | E773-Q777 WeakPolarHBondContact O-CB 3.33Å; E773-Q777 PolarHBondContact O-N 3.41Å; Y775-Q777 VanDerWaalsContact C-N 3.34Å; Y775-Q777 PolarHBondContact O-N 2.95Å; Q777-I779 VanDerWaalsContact C-N 3.32Å; Q777-I779 PolarHBondContact O-N 2.94Å; Q777-N780 PolarHBondContact O-N 3.48Å; Q777-E781 HydrophobicContact CG-CG 4.31Å; Q777-E781 WeakPolarHBondContact CG-OE1 3.46Å; Q777-E781 PolarHBondContact NE2-OE1 3.44Å; Q777-E781 WeakPolarHBondContact O-CB 3.2Å; Q777-E781 WeakPolarHBondContact O-CG 3.47Å; Q777-E781 PolarHBondContact O-N 3.48Å |
| 778 | S | 87.4 | Confident | 87.2 | Confident | 52 Ų | 52 | 70 Ų | 70 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 178.5 | -177 | 0 | 0 | 0 | 0 | 112.9 | Q774 Y775 M782 | Q774-S778 VanDerWaalsContact O-CB 3.26Å; Q774-S778 WeakPolarHBondContact O-CB 3.44Å; Q774-S778 PolarHBondContact O-N 3.14Å; Y775-S778 PolarHBondContact O-N 3.37Å; S778-M782 VanDerWaalsContact O-CB 3.23Å; S778-M782 WeakPolarHBondContact O-CB 3.32Å; S778-M782 PolarHBondContact O-N 3.2Å; S778-M782 VanDerWaalsContact O-N 3.07Å |
| 779 | I | 87.1 | Confident | 87.3 | Confident | 21 Ų | 21 | 75.1 Ų | 75.1 | 11% | 0.108 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67.3 | -48.2 | 174.4 | -72.8 | 177.7 | 0 | 0 | 0 | 110.9 | E719 I722 Y775 E776 Q777 E781 M782 M783 | E719-I779 HydrophobicContact CG-CD1 3.93Å; I722-I779 HydrophobicContact CD1-CG1 4.38Å; I722-I779 HydrophobicContact CG2-CG1 4.08Å; Y775-I779 HydrophobicContact CD1-CD1 4.26Å; Y775-I779 HydrophobicContact CD2-CD1 4.2Å; Y775-I779 HydrophobicContact CE1-CD1 3.56Å; Y775-I779 HydrophobicContact CE2-CD1 3.5Å; Y775-I779 VanDerWaalsContact CE2-CD1 3.5Å; Y775-I779 HydrophobicContact CE2-CG1 4.24Å; Y775-I779 PolarHBondContact O-N 2.98Å; Y775-I779 WeakPolarHBondContact OH-CD1 3.17Å; E776-I779 PolarHBondContact O-N 2.89Å; Q777-I779 VanDerWaalsContact C-N 3.32Å; Q777-I779 PolarHBondContact O-N 2.94Å; I779-E781 PolarHBondContact O-N 2.89Å; I779-M782 PolarHBondContact O-N 2.97Å; I779-M783 HydrophobicContact CG2-CG 4.13Å; I779-M783 WeakPolarHBondContact O-CB 3.46Å; I779-M783 WeakPolarHBondContact O-CG 3.48Å; I779-M783 PolarHBondContact O-N 3.43Å |
| 780 | N | 87.6 | Confident | 87.2 | Confident | 108 Ų | 108 | 74 Ų | 74 | 58% | 0.578 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.8 | -43.3 | -178.2 | -72 | -28.8 | 0 | 0 | 0 | 111.9 | E776 Q777 M783 A784 | E776-N780 WeakPolarHBondContact O-CB 3.35Å; E776-N780 VanDerWaalsContact O-CG 3.31Å; E776-N780 PolarHBondContact O-N 2.95Å; E776-N780 PolarHBondContact O-ND2 2.85Å; Q777-N780 PolarHBondContact O-N 3.48Å; N780-M783 PolarHBondContact O-N 3.39Å; N780-A784 WeakPolarHBondContact O-CB 3.3Å; N780-A784 PolarHBondContact O-N 3.42Å |
| 781 | E | 88.8 | Confident | 87.1 | Confident | 112 Ų | 112 | 74.5 Ų | 74.5 | 52% | 0.523 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 175.7 | -74.5 | 176.2 | -175.3 | 0 | 0 | 112 | Q777 I779 S785 | Q777-E781 HydrophobicContact CG-CG 4.31Å; Q777-E781 WeakPolarHBondContact CG-OE1 3.46Å; Q777-E781 PolarHBondContact NE2-OE1 3.44Å; Q777-E781 WeakPolarHBondContact O-CB 3.2Å; Q777-E781 WeakPolarHBondContact O-CG 3.47Å; Q777-E781 PolarHBondContact O-N 3.48Å; I779-E781 PolarHBondContact O-N 2.89Å; E781-S785 WeakPolarHBondContact O-CB 3.35Å; E781-S785 PolarHBondContact O-N 3.15Å |
| 782 | M | 88.3 | Confident | 87.2 | Confident | 26 Ų | 26 | 78.9 Ų | 78.9 | 13% | 0.128 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 175.7 | 173.3 | -82 | -69.9 | 0 | 0 | 111.5 | L715 L718 I722 S778 I779 A784 S785 Q786 | L715-M782 HydrophobicContact CD2-SD 3.87Å; L718-M782 HydrophobicContact CB-CE 4.41Å; L718-M782 HydrophobicContact CB-SD 4.47Å; L718-M782 HydrophobicContact CD2-CG 3.63Å; L718-M782 HydrophobicContact CD2-SD 3.72Å; L718-M782 HydrophobicContact CG-CG 4.4Å; L718-M782 HydrophobicContact CG-SD 4.39Å; I722-M782 HydrophobicContact CD1-CB 4.28Å; I722-M782 HydrophobicContact CD1-CE 3.86Å; I722-M782 HydrophobicContact CD1-CG 4.21Å; S778-M782 VanDerWaalsContact O-CB 3.23Å; S778-M782 WeakPolarHBondContact O-CB 3.32Å; S778-M782 PolarHBondContact O-N 3.2Å; S778-M782 VanDerWaalsContact O-N 3.07Å; I779-M782 PolarHBondContact O-N 2.97Å; M782-A784 PolarHBondContact O-N 2.98Å; M782-S785 PolarHBondContact O-N 3.06Å; M782-Q786 VanDerWaalsContact O-CB 3.26Å; M782-Q786 WeakPolarHBondContact O-CB 3.36Å; M782-Q786 PolarHBondContact O-N 3.44Å |
| 783 | M | 84 | Confident | 87.3 | Confident | 72 Ų | 72 | 79.5 Ų | 79.5 | 36% | 0.355 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.4 | -46.3 | -179.9 | -69.2 | -72.9 | -70.3 | 0 | 0 | 111.3 | L715 I779 N780 Q786 A787 | L715-M783 HydrophobicContact CB-CE 4.43Å; L715-M783 HydrophobicContact CB-SD 3.81Å; L715-M783 HydrophobicContact CD1-CE 3.75Å; L715-M783 HydrophobicContact CD1-SD 3.79Å; L715-M783 HydrophobicContact CD2-SD 3.78Å; L715-M783 HydrophobicContact CG-SD 3.99Å; I779-M783 HydrophobicContact CG2-CG 4.13Å; I779-M783 WeakPolarHBondContact O-CB 3.46Å; I779-M783 WeakPolarHBondContact O-CG 3.48Å; I779-M783 PolarHBondContact O-N 3.43Å; N780-M783 PolarHBondContact O-N 3.39Å; M783-Q786 PolarHBondContact O-N 2.88Å; M783-A787 WeakPolarHBondContact O-CB 3.31Å; M783-A787 PolarHBondContact O-N 2.97Å |
| 784 | A | 85.9 | Confident | 87.3 | Confident | 62 Ų | 62 | 74.2 Ų | 74.2 | 51% | 0.512 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.9 | -45.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | N780 M782 Q786 A787 L788 | N780-A784 WeakPolarHBondContact O-CB 3.3Å; N780-A784 PolarHBondContact O-N 3.42Å; M782-A784 PolarHBondContact O-N 2.98Å; A784-Q786 VanDerWaalsContact C-N 3.3Å; A784-Q786 PolarHBondContact O-N 3.3Å; A784-A787 PolarHBondContact O-N 3.45Å; A784-L788 WeakPolarHBondContact O-CB 3.08Å; A784-L788 PolarHBondContact O-N 3.19Å |
| 785 | S | 87.7 | Confident | 87.5 | Confident | 48 Ų | 48 | 74.6 Ų | 74.6 | 34% | 0.336 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.8 | -35.8 | 179.2 | -175.5 | 0 | 0 | 0 | 0 | 112.5 | E781 M782 R789 | E781-S785 WeakPolarHBondContact O-CB 3.35Å; E781-S785 PolarHBondContact O-N 3.15Å; M782-S785 PolarHBondContact O-N 3.06Å; S785-R789 WeakPolarHBondContact O-CB 3.39Å; S785-R789 WeakPolarHBondContact O-CG 3.49Å; S785-R789 PolarHBondContact O-N 2.97Å; S785-R789 VanDerWaalsContact O-N 3.07Å; S785-R789 PolarHBondContact O-NE 3.18Å; S785-R789 PolarHBondContact OG-NE 3.41Å; S785-R789 PolarHBondContact OG-NH2 3.02Å |
| 786 | Q | 85.3 | Confident | 87.6 | Confident | 66 Ų | 66 | 75.3 Ų | 75.3 | 31% | 0.308 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -81.8 | -28.4 | -178.6 | -166.5 | 153.7 | 16.4 | 0 | 0 | 113 | L715 L718 M782 M783 A784 L790 | L715-Q786 HydrophobicContact CD2-CB 3.95Å; L715-Q786 HydrophobicContact CD2-CG 3.87Å; L715-Q786 VanDerWaalsContact CD2-OE1 3.29Å; L718-Q786 VanDerWaalsContact CD2-OE1 3.29Å; M782-Q786 VanDerWaalsContact O-CB 3.26Å; M782-Q786 WeakPolarHBondContact O-CB 3.36Å; M782-Q786 PolarHBondContact O-N 3.44Å; M783-Q786 PolarHBondContact O-N 2.88Å; A784-Q786 VanDerWaalsContact C-N 3.3Å; A784-Q786 PolarHBondContact O-N 3.3Å; Q786-L790 PolarHBondContact O-N 3.19Å |
| 787 | A | 84.3 | Confident | 87.7 | Confident | 38 Ų | 38 | 72.7 Ų | 72.7 | 31% | 0.314 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.8 | -51 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | M783 A784 R789 L790 D791 | M783-A787 WeakPolarHBondContact O-CB 3.31Å; M783-A787 PolarHBondContact O-N 2.97Å; A784-A787 PolarHBondContact O-N 3.45Å; A787-R789 PolarHBondContact O-N 3.02Å; A787-L790 WeakPolarHBondContact O-CB 3.23Å; A787-L790 PolarHBondContact O-N 2.91Å; A787-L790 VanDerWaalsContact O-N 3.09Å; A787-D791 PolarHBondContact O-N 3.24Å; A787-D791 VanDerWaalsContact O-N 3.08Å |
| 788 | L | 86.5 | Confident | 87.8 | Confident | 99 Ų | 99 | 69.7 Ų | 69.7 | 52% | 0.518 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | -177.4 | -155.3 | 150.9 | 0 | 0 | 0 | 112 | A784 L790 D791 E792 | A784-L788 WeakPolarHBondContact O-CB 3.08Å; A784-L788 PolarHBondContact O-N 3.19Å; L788-L790 VanDerWaalsContact C-N 3.3Å; L788-L790 PolarHBondContact O-N 3.5Å; L788-D791 PolarHBondContact O-N 3.26Å; L788-E792 VanDerWaalsContact CD2-CD 3.46Å; L788-E792 HydrophobicContact CD2-CG 3.96Å; L788-E792 WeakPolarHBondContact CD2-OE1 3.22Å; L788-E792 WeakPolarHBondContact O-CG 3.25Å; L788-E792 PolarHBondContact O-N 3Å |
| 789 | R | 86.9 | Confident | 88 | Confident | 163 Ų | 163 | 71.9 Ų | 71.9 | 62% | 0.615 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.2 | -34.4 | 173.7 | -86.9 | -173.9 | -99.8 | -178.5 | -11.7 | 113.8 | S785 A787 A793 | S785-R789 WeakPolarHBondContact O-CB 3.39Å; S785-R789 WeakPolarHBondContact O-CG 3.49Å; S785-R789 PolarHBondContact O-N 2.97Å; S785-R789 VanDerWaalsContact O-N 3.07Å; S785-R789 PolarHBondContact O-NE 3.18Å; S785-R789 PolarHBondContact OG-NE 3.41Å; S785-R789 PolarHBondContact OG-NH2 3.02Å; A787-R789 PolarHBondContact O-N 3.02Å; R789-A793 VanDerWaalsContact O-CB 3.28Å; R789-A793 WeakPolarHBondContact O-CB 3.46Å; R789-A793 PolarHBondContact O-N 3.15Å; R789-A793 VanDerWaalsContact O-N 3.12Å |
| 790 | L | 86.1 | Confident | 88.2 | Confident | 33 Ų | 33 | 73.5 Ų | 73.5 | 17% | 0.173 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -69.2 | -46.5 | 177.2 | -176.9 | 65.9 | 0 | 0 | 0 | 110 | E707 L708 Q711 Q786 A787 L788 A793 Q794 | E707-L790 HydrophobicContact CB-CD1 4.44Å; L708-L790 HydrophobicContact CD2-CD2 3.97Å; L708-L790 HydrophobicContact CG-CD2 4.49Å; Q711-L790 HydrophobicContact CB-CD2 4.36Å; Q711-L790 VanDerWaalsContact CD-CD2 3.5Å; Q711-L790 HydrophobicContact CG-CD2 4.06Å; Q711-L790 VanDerWaalsContact NE2-CD2 3.29Å; Q786-L790 PolarHBondContact O-N 3.19Å; A787-L790 WeakPolarHBondContact O-CB 3.23Å; A787-L790 PolarHBondContact O-N 2.91Å; A787-L790 VanDerWaalsContact O-N 3.09Å; L788-L790 VanDerWaalsContact C-N 3.3Å; L788-L790 PolarHBondContact O-N 3.5Å; L790-A793 PolarHBondContact O-N 3.33Å; L790-Q794 HydrophobicContact CD1-CG 4.39Å; L790-Q794 HydrophobicContact CG-CG 4.49Å; L790-Q794 VanDerWaalsContact O-CG 3.32Å; L790-Q794 WeakPolarHBondContact O-CG 3.46Å; L790-Q794 PolarHBondContact O-N 2.96Å |
| 791 | D | 85.6 | Confident | 88.3 | Confident | 92 Ų | 92 | 69.5 Ų | 69.5 | 49% | 0.492 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 179 | -67.7 | -19.9 | 0 | 0 | 0 | 111.4 | A787 L788 A793 Q794 E795 | A787-D791 PolarHBondContact O-N 3.24Å; A787-D791 VanDerWaalsContact O-N 3.08Å; L788-D791 PolarHBondContact O-N 3.26Å; D791-A793 VanDerWaalsContact C-N 3.34Å; D791-A793 PolarHBondContact O-N 3.13Å; D791-Q794 PolarHBondContact O-N 3.26Å; D791-E795 WeakPolarHBondContact O-CB 3.3Å; D791-E795 PolarHBondContact O-N 3.41Å |
| 792 | E | 90.3 | Very high | 88.4 | Confident | 116 Ų | 116 | 72.1 Ų | 72.1 | 54% | 0.542 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 175.9 | -75.2 | 178.5 | 165.3 | 0 | 0 | 112.3 | L788 A796 | L788-E792 VanDerWaalsContact CD2-CD 3.46Å; L788-E792 HydrophobicContact CD2-CG 3.96Å; L788-E792 WeakPolarHBondContact CD2-OE1 3.22Å; L788-E792 WeakPolarHBondContact O-CG 3.25Å; L788-E792 PolarHBondContact O-N 3Å; E792-A796 WeakPolarHBondContact O-CB 3.47Å; E792-A796 PolarHBondContact O-N 3.22Å |
| 793 | A | 87.5 | Confident | 88.5 | Confident | 49 Ų | 49 | 76.9 Ų | 76.9 | 41% | 0.405 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R789 L790 D791 A796 E797 | R789-A793 VanDerWaalsContact O-CB 3.28Å; R789-A793 WeakPolarHBondContact O-CB 3.46Å; R789-A793 PolarHBondContact O-N 3.15Å; R789-A793 VanDerWaalsContact O-N 3.12Å; L790-A793 PolarHBondContact O-N 3.33Å; D791-A793 VanDerWaalsContact C-N 3.34Å; D791-A793 PolarHBondContact O-N 3.13Å; A793-A796 PolarHBondContact O-N 3.42Å; A793-E797 WeakPolarHBondContact O-CG 3.46Å; A793-E797 PolarHBondContact O-N 3.22Å |
| 794 | Q | 90.4 | Very high | 88.5 | Confident | 20 Ų | 20 | 76.7 Ų | 76.7 | 9% | 0.093 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 178 | -70.6 | -173 | -13.9 | 0 | 0 | 111.9 | H704 E707 L790 D791 E797 C798 | H704-Q794 HydrophobicContact CB-CG 4.33Å; H704-Q794 PolarHBondContact CE1-O 2.91Å; H704-Q794 VanDerWaalsContact CE1-O 3.31Å; H704-Q794 PolarHBondContact O-NE2 3.25Å; E707-Q794 PolarHBondContact OE2-NE2 3.37Å; E707-Q794 VanDerWaalsContact OE2-NE2 3.15Å; L790-Q794 HydrophobicContact CD1-CG 4.39Å; L790-Q794 HydrophobicContact CG-CG 4.49Å; L790-Q794 VanDerWaalsContact O-CG 3.32Å; L790-Q794 WeakPolarHBondContact O-CG 3.46Å; L790-Q794 PolarHBondContact O-N 2.96Å; D791-Q794 PolarHBondContact O-N 3.26Å; Q794-E797 PolarHBondContact O-N 2.99Å; Q794-C798 PolarHBondContact O-N 2.69Å; Q794-C798 PolarHBondContact O-SG 2.99Å |
| 795 | E | 91.6 | Very high | 88.6 | Confident | 119 Ų | 119 | 74 Ų | 74 | 56% | 0.556 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.7 | -45.2 | 174.9 | -171.9 | 173.5 | -175 | 0 | 0 | 111.7 | D791 E797 C798 Q799 | D791-E795 WeakPolarHBondContact O-CB 3.3Å; D791-E795 PolarHBondContact O-N 3.41Å; E795-E797 VanDerWaalsContact C-N 3.34Å; E795-E797 PolarHBondContact O-N 3.37Å; E795-C798 WeakPolarHBondContact O-CB 3.41Å; E795-C798 PolarHBondContact O-N 3.03Å; E795-C798 VanDerWaalsContact O-N 3.17Å; E795-Q799 WeakPolarHBondContact O-CG 3.4Å; E795-Q799 PolarHBondContact O-N 3.17Å; E795-Q799 PolarHBondContact OE1-NE2 3.44Å |
| 796 | A | 90.7 | Very high | 88.7 | Confident | 57 Ų | 57 | 76.8 Ų | 76.8 | 47% | 0.471 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.8 | -42.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | E792 A793 Q799 A800 | E792-A796 WeakPolarHBondContact O-CB 3.47Å; E792-A796 PolarHBondContact O-N 3.22Å; A793-A796 PolarHBondContact O-N 3.42Å; A796-Q799 PolarHBondContact O-N 3.5Å; A796-A800 WeakPolarHBondContact O-CB 3.38Å; A796-A800 PolarHBondContact O-N 3.43Å |
| 797 | E | 89.6 | Confident | 88.7 | Confident | 68 Ų | 68 | 79.2 Ų | 79.2 | 32% | 0.318 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 174.5 | -74.4 | -172.3 | 170.9 | 0 | 0 | 112.3 | L700 K703 H704 A793 Q794 E795 A800 L801 | L700-E797 HydrophobicContact CD1-CB 4.26Å; K703-E797 IonicContact NZ-OE1 3.13Å; K703-E797 PolarHBondContact NZ-OE1 3.41Å; K703-E797 IonicContact NZ-OE2 3.63Å; K703-E797 PolarHBondContact NZ-OE2 3.17Å; H704-E797 IonicContact CD2-OE2 2.73Å; H704-E797 IonicContact NE2-OE2 3.97Å; H704-E797 PolarHBondContact NE2-OE2 2.88Å; A793-E797 WeakPolarHBondContact O-CG 3.46Å; A793-E797 PolarHBondContact O-N 3.22Å; Q794-E797 PolarHBondContact O-N 2.99Å; E795-E797 VanDerWaalsContact C-N 3.34Å; E795-E797 PolarHBondContact O-N 3.37Å; E797-A800 PolarHBondContact O-N 2.81Å; E797-L801 WeakPolarHBondContact O-CB 3.19Å; E797-L801 PolarHBondContact O-N 2.98Å |
| 798 | C | 92 | Very high | 88.6 | Confident | 43 Ų | 43 | 77.8 Ų | 77.8 | 29% | 0.291 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 176.3 | -72 | 0 | 0 | 0 | 0 | 112 | L700 H704 Q794 E795 L801 R802 | L700-C798 HydrophobicContact CD2-CB 4.43Å; H704-C798 VanDerWaalsContact CE1-SG 3.54Å; Q794-C798 PolarHBondContact O-N 2.69Å; Q794-C798 PolarHBondContact O-SG 2.99Å; E795-C798 WeakPolarHBondContact O-CB 3.41Å; E795-C798 PolarHBondContact O-N 3.03Å; E795-C798 VanDerWaalsContact O-N 3.17Å; C798-L801 PolarHBondContact O-N 3.32Å; C798-R802 WeakPolarHBondContact O-CG 3.43Å; C798-R802 PolarHBondContact O-N 2.93Å |
| 799 | Q | 92.4 | Very high | 88.6 | Confident | 98 Ų | 98 | 74.3 Ų | 74.3 | 46% | 0.458 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 178.1 | -70.8 | -178.2 | 12.6 | 0 | 0 | 111.3 | E795 A796 L801 R802 Q803 | E795-Q799 WeakPolarHBondContact O-CG 3.4Å; E795-Q799 PolarHBondContact O-N 3.17Å; E795-Q799 PolarHBondContact OE1-NE2 3.44Å; A796-Q799 PolarHBondContact O-N 3.5Å; Q799-L801 PolarHBondContact O-N 2.93Å; Q799-R802 PolarHBondContact O-N 3.32Å; Q799-Q803 WeakPolarHBondContact O-CG 3.48Å; Q799-Q803 PolarHBondContact O-N 3.49Å |
| 800 | A | 89.9 | Confident | 88.6 | Confident | 54 Ų | 54 | 71.5 Ų | 71.5 | 45% | 0.446 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.5 | -45 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A796 E797 Q803 Q804 | A796-A800 WeakPolarHBondContact O-CB 3.38Å; A796-A800 PolarHBondContact O-N 3.43Å; E797-A800 PolarHBondContact O-N 2.81Å; A800-Q803 PolarHBondContact O-N 2.99Å; A800-Q804 WeakPolarHBondContact O-CB 3.41Å; A800-Q804 PolarHBondContact O-N 3.21Å |
| 801 | L | 89.8 | Confident | 88.3 | Confident | 24 Ų | 24 | 73 Ų | 73 | 13% | 0.126 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 177.1 | -179.1 | 63.2 | 0 | 0 | 0 | 111.5 | R696 L700 E797 C798 Q799 Q803 Q804 L805 | R696-L801 HydrophobicContact CB-CD1 4.31Å; R696-L801 HydrophobicContact CB-CD2 4.37Å; L700-L801 HydrophobicContact CB-CD2 3.83Å; L700-L801 HydrophobicContact CD2-CB 4.01Å; L700-L801 HydrophobicContact CD2-CD2 3.55Å; L700-L801 HydrophobicContact CD2-CG 4.43Å; L700-L801 HydrophobicContact CG-CD2 4.28Å; E797-L801 WeakPolarHBondContact O-CB 3.19Å; E797-L801 PolarHBondContact O-N 2.98Å; C798-L801 PolarHBondContact O-N 3.32Å; Q799-L801 PolarHBondContact O-N 2.93Å; L801-Q803 VanDerWaalsContact C-N 3.34Å; L801-Q803 PolarHBondContact O-N 3.39Å; L801-Q804 PolarHBondContact O-N 2.99Å; L801-L805 HydrophobicContact CD1-CD1 4.16Å; L801-L805 HydrophobicContact CD1-CD2 4.31Å; L801-L805 HydrophobicContact CD1-CG 4.01Å; L801-L805 HydrophobicContact CD2-CD1 4.46Å; L801-L805 HydrophobicContact CG-CD1 3.96Å; L801-L805 HydrophobicContact CG-CG 4.21Å; L801-L805 VanDerWaalsContact O-CG 3.32Å; L801-L805 WeakPolarHBondContact O-CG 3.3Å; L801-L805 PolarHBondContact O-N 2.9Å |
| 802 | R | 91.3 | Very high | 88.1 | Confident | 167 Ų | 167 | 69.7 Ų | 69.7 | 63% | 0.63 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -59.4 | -44.3 | 177.6 | -78.4 | 178.7 | 179.1 | 168 | 2.8 | 112.2 | C798 Q799 Q804 L805 Q806 | C798-R802 WeakPolarHBondContact O-CG 3.43Å; C798-R802 PolarHBondContact O-N 2.93Å; Q799-R802 PolarHBondContact O-N 3.32Å; R802-Q804 VanDerWaalsContact C-N 3.33Å; R802-L805 PolarHBondContact O-N 2.98Å; R802-Q806 VanDerWaalsContact O-CB 3.3Å; R802-Q806 WeakPolarHBondContact O-CB 3.38Å; R802-Q806 PolarHBondContact O-N 3.14Å |
| 803 | Q | 90.9 | Very high | 87.9 | Confident | 126 Ų | 126 | 67.6 Ų | 67.6 | 59% | 0.589 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.6 | -43.1 | 176.2 | -73.1 | 177.5 | 4.3 | 0 | 0 | 111.4 | Q799 A800 L801 Q806 Q807 | Q799-Q803 WeakPolarHBondContact O-CG 3.48Å; Q799-Q803 PolarHBondContact O-N 3.49Å; A800-Q803 PolarHBondContact O-N 2.99Å; L801-Q803 VanDerWaalsContact C-N 3.34Å; L801-Q803 PolarHBondContact O-N 3.39Å; Q803-Q806 PolarHBondContact O-N 3.43Å; Q803-Q807 WeakPolarHBondContact O-CG 3.32Å; Q803-Q807 PolarHBondContact O-N 3Å |
| 804 | Q | 84.6 | Confident | 87.5 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 32% | 0.322 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.9 | -49.6 | 176.9 | -173.1 | -173.4 | -24.4 | 0 | 0 | 111.9 | A800 L801 R802 Q806 Q807 E808 | A800-Q804 WeakPolarHBondContact O-CB 3.41Å; A800-Q804 PolarHBondContact O-N 3.21Å; L801-Q804 PolarHBondContact O-N 2.99Å; R802-Q804 VanDerWaalsContact C-N 3.33Å; Q804-Q806 VanDerWaalsContact C-N 3.28Å; Q804-Q806 PolarHBondContact O-N 3.38Å; Q804-Q807 PolarHBondContact O-N 3.14Å; Q804-E808 PolarHBondContact NE2-OE1 3Å; Q804-E808 WeakPolarHBondContact O-CG 3.35Å; Q804-E808 PolarHBondContact O-N 2.77Å |
| 805 | L | 87.9 | Confident | 86.9 | Confident | 5 Ų | 5 | 69.3 Ų | 69.3 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.2 | -33.5 | -179.6 | -64.4 | 178.3 | 0 | 0 | 0 | 112.3 | Y692 N693 R696 E697 L801 R802 M809 | Y692-L805 HydrophobicContact CD1-CD2 4.35Å; Y692-L805 HydrophobicContact CE1-CD2 3.85Å; N693-L805 HydrophobicContact CB-CD1 4.13Å; R696-L805 HydrophobicContact CB-CD1 4.25Å; R696-L805 HydrophobicContact CB-CD2 4.19Å; R696-L805 HydrophobicContact CG-CD2 4.22Å; E697-L805 HydrophobicContact CG-CD1 4.1Å; L801-L805 HydrophobicContact CD1-CD1 4.16Å; L801-L805 HydrophobicContact CD1-CD2 4.31Å; L801-L805 HydrophobicContact CD1-CG 4.01Å; L801-L805 HydrophobicContact CD2-CD1 4.46Å; L801-L805 HydrophobicContact CG-CD1 3.96Å; L801-L805 HydrophobicContact CG-CG 4.21Å; L801-L805 VanDerWaalsContact O-CG 3.32Å; L801-L805 WeakPolarHBondContact O-CG 3.3Å; L801-L805 PolarHBondContact O-N 2.9Å; R802-L805 PolarHBondContact O-N 2.98Å; L805-M809 PolarHBondContact O-N 3.3Å |
| 806 | Q | 90.3 | Very high | 86.6 | Confident | 106 Ų | 106 | 64.7 Ų | 64.7 | 50% | 0.495 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.6 | -45.9 | 174.4 | -178.7 | 61.8 | 27.1 | 0 | 0 | 111.5 | R802 Q803 Q804 E808 M809 E810 | R802-Q806 VanDerWaalsContact O-CB 3.3Å; R802-Q806 WeakPolarHBondContact O-CB 3.38Å; R802-Q806 PolarHBondContact O-N 3.14Å; Q803-Q806 PolarHBondContact O-N 3.43Å; Q804-Q806 VanDerWaalsContact C-N 3.28Å; Q804-Q806 PolarHBondContact O-N 3.38Å; Q806-E808 VanDerWaalsContact C-N 3.33Å; Q806-E808 PolarHBondContact O-N 3.39Å; Q806-M809 WeakPolarHBondContact O-CB 3.33Å; Q806-M809 PolarHBondContact O-N 3.37Å; Q806-E810 PolarHBondContact NE2-OE1 3.34Å; Q806-E810 WeakPolarHBondContact O-CG 3.4Å; Q806-E810 PolarHBondContact O-N 3.47Å |
| 807 | Q | 84.9 | Confident | 86.4 | Confident | 118 Ų | 118 | 65.1 Ų | 65.1 | 55% | 0.551 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.5 | -42.4 | 175.2 | -74 | 174.9 | 0.7 | 0 | 0 | 111.7 | Q803 Q804 M809 E810 L811 | Q803-Q807 WeakPolarHBondContact O-CG 3.32Å; Q803-Q807 PolarHBondContact O-N 3Å; Q804-Q807 PolarHBondContact O-N 3.14Å; Q807-M809 VanDerWaalsContact C-N 3.3Å; Q807-M809 PolarHBondContact O-N 2.97Å; Q807-E810 PolarHBondContact O-N 3.11Å; Q807-L811 WeakPolarHBondContact O-CD1 3.5Å; Q807-L811 WeakPolarHBondContact O-CG 3.48Å; Q807-L811 PolarHBondContact O-N 3.46Å |
| 808 | E | 81.5 | Confident | 86 | Confident | 8 Ų | 8 | 65.6 Ų | 65.6 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 175.6 | -71.6 | 177.8 | -166.1 | 0 | 0 | 112 | Y692 Q804 Q806 L812 | Y692-E808 VanDerWaalsContact CE1-OE2 3.23Å; Y692-E808 WeakPolarHBondContact CE1-OE2 3.28Å; Q804-E808 PolarHBondContact NE2-OE1 3Å; Q804-E808 WeakPolarHBondContact O-CG 3.35Å; Q804-E808 PolarHBondContact O-N 2.77Å; Q806-E808 VanDerWaalsContact C-N 3.33Å; Q806-E808 PolarHBondContact O-N 3.39Å; E808-L812 PolarHBondContact O-N 3.15Å; E808-L812 VanDerWaalsContact O-N 3.14Å |
| 809 | M | 87.3 | Confident | 85.4 | Confident | 26 Ų | 26 | 64.8 Ų | 64.8 | 13% | 0.128 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.7 | -41.5 | 175.5 | -174.3 | 63.5 | 74.4 | 0 | 0 | 112.6 | L686 Q689 I690 L805 Q806 Q807 L811 L812 N813 | L686-M809 HydrophobicContact CD1-CE 4.1Å; L686-M809 HydrophobicContact CD1-SD 3.63Å; Q689-M809 HydrophobicContact CB-CE 4.14Å; Q689-M809 HydrophobicContact CG-CE 3.58Å; Q689-M809 HydrophobicContact CG-SD 4.05Å; I690-M809 HydrophobicContact CG1-CE 4.18Å; L805-M809 PolarHBondContact O-N 3.3Å; Q806-M809 WeakPolarHBondContact O-CB 3.33Å; Q806-M809 PolarHBondContact O-N 3.37Å; Q807-M809 VanDerWaalsContact C-N 3.3Å; Q807-M809 PolarHBondContact O-N 2.97Å; M809-L811 VanDerWaalsContact C-N 3.34Å; M809-L812 PolarHBondContact O-N 2.96Å; M809-L812 HydrophobicContact SD-CD2 4.49Å; M809-N813 PolarHBondContact O-N 2.93Å; M809-N813 PolarHBondContact O-ND2 3.01Å |
| 810 | E | 86.9 | Confident | 85.1 | Confident | 104 Ų | 104 | 64.9 Ų | 64.9 | 49% | 0.486 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 177.2 | -74.2 | 169.8 | -168.3 | 0 | 0 | 111.9 | Q806 Q807 L812 N813 A814 | Q806-E810 PolarHBondContact NE2-OE1 3.34Å; Q806-E810 WeakPolarHBondContact O-CG 3.4Å; Q806-E810 PolarHBondContact O-N 3.47Å; Q807-E810 PolarHBondContact O-N 3.11Å; E810-L812 VanDerWaalsContact C-N 3.35Å; E810-L812 PolarHBondContact O-N 2.93Å; E810-N813 PolarHBondContact O-N 2.94Å; E810-A814 WeakPolarHBondContact O-CB 3.48Å; E810-A814 PolarHBondContact O-N 3.28Å |
| 811 | L | 79 | Confident | 84.9 | Confident | 63 Ų | 63 | 68 Ų | 68 | 33% | 0.33 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 173 | -79.5 | 157.9 | 0 | 0 | 0 | 111.9 | Y236 Q807 M809 A814 Y815 | Y236-L811 HydrophobicContact CE1-CD2 3.89Å; Q807-L811 WeakPolarHBondContact O-CD1 3.5Å; Q807-L811 WeakPolarHBondContact O-CG 3.48Å; Q807-L811 PolarHBondContact O-N 3.46Å; M809-L811 VanDerWaalsContact C-N 3.34Å; L811-A814 PolarHBondContact O-N 3.42Å; L811-Y815 PolarHBondContact O-N 3.31Å |
| 812 | L | 80.9 | Confident | 84.5 | Confident | 24 Ų | 24 | 72.1 Ų | 72.1 | 13% | 0.126 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 175.9 | -179.9 | 62.6 | 0 | 0 | 0 | 111.6 | E685 Q689 E808 M809 E810 A814 Y815 Q816 | E685-L812 HydrophobicContact CB-CD1 4.26Å; Q689-L812 HydrophobicContact CB-CD2 3.69Å; Q689-L812 HydrophobicContact CG-CD2 4.03Å; E808-L812 PolarHBondContact O-N 3.15Å; E808-L812 VanDerWaalsContact O-N 3.14Å; M809-L812 PolarHBondContact O-N 2.96Å; M809-L812 HydrophobicContact SD-CD2 4.49Å; E810-L812 VanDerWaalsContact C-N 3.35Å; E810-L812 PolarHBondContact O-N 2.93Å; L812-A814 VanDerWaalsContact C-N 3.33Å; L812-A814 PolarHBondContact O-N 3.25Å; L812-Y815 HydrophobicContact CD1-CD1 4.41Å; L812-Y815 WeakPolarHBondContact O-CB 3.41Å; L812-Y815 PolarHBondContact O-N 3.12Å; L812-Q816 HydrophobicContact CD1-CG 4.41Å; L812-Q816 WeakPolarHBondContact O-CG 3.42Å; L812-Q816 PolarHBondContact O-N 3.41Å |
| 813 | N | 86 | Confident | 84.1 | Confident | 71 Ų | 71 | 65.1 Ų | 65.1 | 38% | 0.38 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 177.9 | -73.3 | -31.6 | 0 | 0 | 0 | 112.4 | M809 E810 Y815 Q816 S817 | M809-N813 PolarHBondContact O-N 2.93Å; M809-N813 PolarHBondContact O-ND2 3.01Å; E810-N813 PolarHBondContact O-N 2.94Å; N813-Y815 VanDerWaalsContact C-N 3.35Å; N813-Q816 PolarHBondContact O-N 2.98Å; N813-S817 WeakPolarHBondContact O-CB 3.44Å; N813-S817 PolarHBondContact O-N 3.44Å; N813-S817 PolarHBondContact O-OG 3.08Å |
| 814 | A | 79.2 | Confident | 84.1 | Confident | 51 Ų | 51 | 62.7 Ų | 62.7 | 42% | 0.421 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E810 L811 L812 S817 K818 | E810-A814 WeakPolarHBondContact O-CB 3.48Å; E810-A814 PolarHBondContact O-N 3.28Å; L811-A814 PolarHBondContact O-N 3.42Å; L812-A814 VanDerWaalsContact C-N 3.33Å; L812-A814 PolarHBondContact O-N 3.25Å; A814-S817 PolarHBondContact O-N 2.97Å; A814-K818 WeakPolarHBondContact O-CB 3.26Å; A814-K818 PolarHBondContact O-N 3Å |
| 815 | Y | 77.9 | Confident | 84.2 | Confident | 54 Ų | 54 | 61 Ų | 61 | 21% | 0.212 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.3 | -51 | 174.6 | 175 | -120.6 | 0 | 0 | 0 | 112.4 | Y236 L811 L812 N813 S817 K818 I819 | Y236-Y815 HydrophobicContact CD2-CD1 4.5Å; Y236-Y815 AromaticContact CD2-CD2 3.36Å; Y236-Y815 HydrophobicContact CD2-CD2 3.36Å; Y236-Y815 AromaticContact CD2-CE2 3.98Å; Y236-Y815 HydrophobicContact CD2-CE2 3.98Å; Y236-Y815 AromaticContact CD2-CG 3.62Å; Y236-Y815 HydrophobicContact CD2-CG 3.62Å; Y236-Y815 VanDerWaalsContact CE2-CB 3.5Å; Y236-Y815 AromaticContact CE2-CD2 3.42Å; Y236-Y815 HydrophobicContact CE2-CD2 3.42Å; Y236-Y815 VanDerWaalsContact CE2-CD2 3.42Å; Y236-Y815 HydrophobicContact CE2-CE2 4.36Å; Y236-Y815 AromaticContact CE2-CG 3.75Å; Y236-Y815 HydrophobicContact CE2-CG 3.75Å; L811-Y815 PolarHBondContact O-N 3.31Å; L812-Y815 HydrophobicContact CD1-CD1 4.41Å; L812-Y815 WeakPolarHBondContact O-CB 3.41Å; L812-Y815 PolarHBondContact O-N 3.12Å; N813-Y815 VanDerWaalsContact C-N 3.35Å; Y815-S817 VanDerWaalsContact C-N 3.28Å; Y815-S817 PolarHBondContact O-N 3.23Å; Y815-K818 WeakPolarHBondContact O-CB 3.47Å; Y815-K818 PolarHBondContact O-N 3.32Å; Y815-K818 VanDerWaalsContact O-N 3.08Å; Y815-I819 HydrophobicContact CD1-CD1 3.83Å; Y815-I819 HydrophobicContact CD2-CD1 3.99Å; Y815-I819 HydrophobicContact CD2-CG1 4.23Å; Y815-I819 HydrophobicContact CE1-CD1 3.32Å; Y815-I819 HydrophobicContact CE1-CG1 4.49Å; Y815-I819 HydrophobicContact CE2-CD1 3.53Å; Y815-I819 HydrophobicContact CE2-CG1 3.89Å; Y815-I819 HydrophobicContact CG-CD1 4.17Å; Y815-I819 PolarHBondContact O-N 3.24Å |
| 816 | Q | 85.8 | Confident | 84 | Confident | 22 Ų | 22 | 64.6 Ų | 64.6 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60 | -41.3 | 179.5 | -69.1 | -174.6 | -6 | 0 | 0 | 111.5 | H682 E685 L812 N813 K818 I819 K820 | H682-Q816 VanDerWaalsContact CA-NE2 3.35Å; H682-Q816 HydrophobicContact CB-CG 4.18Å; H682-Q816 PolarHBondContact CE1-O 3.45Å; H682-Q816 PolarHBondContact O-NE2 2.93Å; E685-Q816 PolarHBondContact OE2-NE2 2.8Å; L812-Q816 HydrophobicContact CD1-CG 4.41Å; L812-Q816 WeakPolarHBondContact O-CG 3.42Å; L812-Q816 PolarHBondContact O-N 3.41Å; N813-Q816 PolarHBondContact O-N 2.98Å; Q816-K818 VanDerWaalsContact C-N 3.35Å; Q816-K818 PolarHBondContact O-N 3.31Å; Q816-I819 PolarHBondContact O-N 3.47Å; Q816-K820 WeakPolarHBondContact O-CB 3.37Å; Q816-K820 PolarHBondContact O-N 2.87Å |
| 817 | S | 86.8 | Confident | 84.2 | Confident | 67 Ų | 67 | 60.5 Ų | 60.5 | 47% | 0.469 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 175.3 | -62.6 | 0 | 0 | 0 | 0 | 112.1 | N813 A814 Y815 K820 M821 | N813-S817 WeakPolarHBondContact O-CB 3.44Å; N813-S817 PolarHBondContact O-N 3.44Å; N813-S817 PolarHBondContact O-OG 3.08Å; A814-S817 PolarHBondContact O-N 2.97Å; Y815-S817 VanDerWaalsContact C-N 3.28Å; Y815-S817 PolarHBondContact O-N 3.23Å; S817-K820 PolarHBondContact O-N 3.28Å; S817-M821 WeakPolarHBondContact O-CG 3.43Å; S817-M821 PolarHBondContact O-N 3.29Å |
| 818 | K | 80.4 | Confident | 84.5 | Confident | 78 Ų | 78 | 60.7 Ų | 60.7 | 34% | 0.339 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 177.7 | -172.1 | 177.3 | -177.3 | 176.8 | 0 | 112.1 | A814 Y815 Q816 K820 M821 Q822 | A814-K818 WeakPolarHBondContact O-CB 3.26Å; A814-K818 PolarHBondContact O-N 3Å; Y815-K818 WeakPolarHBondContact O-CB 3.47Å; Y815-K818 PolarHBondContact O-N 3.32Å; Y815-K818 VanDerWaalsContact O-N 3.08Å; Q816-K818 VanDerWaalsContact C-N 3.35Å; Q816-K818 PolarHBondContact O-N 3.31Å; K818-K820 VanDerWaalsContact C-N 3.32Å; K818-K820 PolarHBondContact O-N 3.44Å; K818-M821 PolarHBondContact O-N 3.07Å; K818-Q822 WeakPolarHBondContact O-CB 3.44Å; K818-Q822 WeakPolarHBondContact O-CG 3.41Å; K818-Q822 PolarHBondContact O-N 3.22Å |
| 819 | I | 79.2 | Confident | 85 | Confident | 26 Ų | 26 | 67.6 Ų | 67.6 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 175.8 | -68.9 | 164.9 | 0 | 0 | 0 | 110.6 | I678 Y815 Q816 Q822 T823 | I678-I819 HydrophobicContact CD1-CG2 4.43Å; I678-I819 HydrophobicContact CG2-CG2 4.3Å; Y815-I819 HydrophobicContact CD1-CD1 3.83Å; Y815-I819 HydrophobicContact CD2-CD1 3.99Å; Y815-I819 HydrophobicContact CD2-CG1 4.23Å; Y815-I819 HydrophobicContact CE1-CD1 3.32Å; Y815-I819 HydrophobicContact CE1-CG1 4.49Å; Y815-I819 HydrophobicContact CE2-CD1 3.53Å; Y815-I819 HydrophobicContact CE2-CG1 3.89Å; Y815-I819 HydrophobicContact CG-CD1 4.17Å; Y815-I819 PolarHBondContact O-N 3.24Å; Q816-I819 PolarHBondContact O-N 3.47Å; I819-Q822 PolarHBondContact O-N 3.18Å; I819-T823 WeakPolarHBondContact O-CB 3.4Å; I819-T823 PolarHBondContact O-N 2.93Å; I819-T823 PolarHBondContact O-OG1 3.09Å |
| 820 | K | 87.4 | Confident | 85.3 | Confident | 99 Ų | 99 | 68.4 Ų | 68.4 | 43% | 0.43 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.4 | -51.2 | 179 | -177.2 | -178.3 | 169.9 | -171.6 | 0 | 111.1 | Q816 S817 K818 Q822 T823 E824 | Q816-K820 WeakPolarHBondContact O-CB 3.37Å; Q816-K820 PolarHBondContact O-N 2.87Å; S817-K820 PolarHBondContact O-N 3.28Å; K818-K820 VanDerWaalsContact C-N 3.32Å; K818-K820 PolarHBondContact O-N 3.44Å; K820-Q822 PolarHBondContact O-N 3.47Å; K820-T823 PolarHBondContact O-N 3.39Å; K820-E824 WeakPolarHBondContact CE-OE1 3.46Å; K820-E824 IonicContact NZ-OE1 2.87Å; K820-E824 WeakPolarHBondContact O-CG 3.2Å; K820-E824 PolarHBondContact O-N 2.98Å |
| 821 | M | 85.4 | Confident | 85.6 | Confident | 119 Ų | 119 | 68 Ų | 68 | 59% | 0.586 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.7 | -41.6 | 177.4 | -75.8 | -171.6 | -67.5 | 0 | 0 | 112.7 | S817 K818 T823 E824 A825 | S817-M821 WeakPolarHBondContact O-CG 3.43Å; S817-M821 PolarHBondContact O-N 3.29Å; K818-M821 PolarHBondContact O-N 3.07Å; M821-T823 VanDerWaalsContact C-N 3.32Å; M821-T823 PolarHBondContact O-N 3.07Å; M821-E824 PolarHBondContact O-N 3.28Å; M821-A825 WeakPolarHBondContact O-CB 3.48Å; M821-A825 PolarHBondContact O-N 2.89Å |
| 822 | Q | 80.1 | Confident | 86.4 | Confident | 112 Ų | 112 | 70 Ų | 70 | 52% | 0.523 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 177 | -77.2 | -179.1 | -17.9 | 0 | 0 | 111.9 | K818 I819 K820 A825 Q826 | K818-Q822 WeakPolarHBondContact O-CB 3.44Å; K818-Q822 WeakPolarHBondContact O-CG 3.41Å; K818-Q822 PolarHBondContact O-N 3.22Å; I819-Q822 PolarHBondContact O-N 3.18Å; K820-Q822 PolarHBondContact O-N 3.47Å; Q822-A825 PolarHBondContact O-N 3.35Å; Q822-Q826 WeakPolarHBondContact O-CB 3.49Å; Q822-Q826 PolarHBondContact O-N 3.49Å |
| 823 | T | 83.8 | Confident | 87 | Confident | 19 Ų | 19 | 75.7 Ų | 75.7 | 12% | 0.117 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.7 | -43.1 | 177.7 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | M675 I678 I819 K820 M821 Q826 H827 | M675-T823 HydrophobicContact CE-CG2 4.26Å; I678-T823 HydrophobicContact CD1-CG2 3.61Å; I678-T823 WeakPolarHBondContact CD1-OG1 3.16Å; I819-T823 WeakPolarHBondContact O-CB 3.4Å; I819-T823 PolarHBondContact O-N 2.93Å; I819-T823 PolarHBondContact O-OG1 3.09Å; K820-T823 PolarHBondContact O-N 3.39Å; M821-T823 VanDerWaalsContact C-N 3.32Å; M821-T823 PolarHBondContact O-N 3.07Å; T823-Q826 WeakPolarHBondContact O-CB 3.42Å; T823-Q826 PolarHBondContact O-N 3.38Å; T823-H827 PolarHBondContact O-CD2 3.4Å; T823-H827 VanDerWaalsContact O-CG 3.29Å; T823-H827 PolarHBondContact O-N 3.08Å |
| 824 | E | 89.8 | Confident | 87.5 | Confident | 76 Ų | 76 | 73.6 Ų | 73.6 | 36% | 0.355 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 175.1 | -72.1 | 170.6 | 168.7 | 0 | 0 | 111.1 | M675 K820 M821 Q826 H827 E828 | M675-E824 HydrophobicContact CE-CG 3.89Å; K820-E824 WeakPolarHBondContact CE-OE1 3.46Å; K820-E824 IonicContact NZ-OE1 2.87Å; K820-E824 WeakPolarHBondContact O-CG 3.2Å; K820-E824 PolarHBondContact O-N 2.98Å; M821-E824 PolarHBondContact O-N 3.28Å; E824-Q826 VanDerWaalsContact C-N 3.27Å; E824-Q826 PolarHBondContact O-N 3.41Å; E824-H827 WeakPolarHBondContact O-CB 3.37Å; E824-H827 PolarHBondContact O-N 3.28Å; E824-H827 VanDerWaalsContact O-N 3.12Å; E824-E828 PolarHBondContact O-N 3.22Å |
| 825 | A | 86.6 | Confident | 88.2 | Confident | 32 Ų | 32 | 75.9 Ų | 75.9 | 26% | 0.264 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.3 | -30.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | M821 Q822 R829 | M821-A825 WeakPolarHBondContact O-CB 3.48Å; M821-A825 PolarHBondContact O-N 2.89Å; Q822-A825 PolarHBondContact O-N 3.35Å; A825-R829 WeakPolarHBondContact O-CG 3.35Å; A825-R829 PolarHBondContact O-N 3.29Å; A825-R829 PolarHBondContact O-NE 2.94Å |
| 826 | Q | 85.3 | Confident | 89 | Confident | 82 Ų | 82 | 79.6 Ų | 79.6 | 38% | 0.383 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.5 | -44.5 | 171.2 | 177.2 | 177 | -13 | 0 | 0 | 111 | Q822 T823 E824 E828 R829 E830 | Q822-Q826 WeakPolarHBondContact O-CB 3.49Å; Q822-Q826 PolarHBondContact O-N 3.49Å; T823-Q826 WeakPolarHBondContact O-CB 3.42Å; T823-Q826 PolarHBondContact O-N 3.38Å; E824-Q826 VanDerWaalsContact C-N 3.27Å; E824-Q826 PolarHBondContact O-N 3.41Å; Q826-E828 VanDerWaalsContact C-N 3.3Å; Q826-E828 PolarHBondContact O-N 2.95Å; Q826-R829 PolarHBondContact O-N 3.31Å; Q826-R829 VanDerWaalsContact O-N 3.16Å; Q826-E830 HydrophobicContact CG-CG 4.36Å; Q826-E830 PolarHBondContact NE2-OE1 2.99Å; Q826-E830 WeakPolarHBondContact O-CG 3.45Å; Q826-E830 PolarHBondContact O-N 3.47Å |
| 827 | H | 92.9 | Very high | 89.5 | Confident | 20 Ų | 20 | 83.9 Ų | 83.9 | 9% | 0.093 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.3 | -42.3 | 177.1 | -70.2 | 179.3 | 0 | 0 | 0 | 111.8 | Q671 T823 E824 E830 Q831 | Q671-H827 HydrophobicContact CG-CB 4.31Å; Q671-H827 PolarHBondContact NE2-O 3.09Å; Q671-H827 PolarHBondContact O-CE1 3.4Å; T823-H827 PolarHBondContact O-CD2 3.4Å; T823-H827 VanDerWaalsContact O-CG 3.29Å; T823-H827 PolarHBondContact O-N 3.08Å; E824-H827 WeakPolarHBondContact O-CB 3.37Å; E824-H827 PolarHBondContact O-N 3.28Å; E824-H827 VanDerWaalsContact O-N 3.12Å; H827-E830 PolarHBondContact O-N 3.12Å; H827-Q831 WeakPolarHBondContact O-CB 3.28Å; H827-Q831 PolarHBondContact O-N 2.82Å |
| 828 | E | 92.6 | Very high | 89.9 | Confident | 121 Ų | 121 | 81.3 Ų | 81.3 | 57% | 0.565 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.6 | -44.9 | 174.6 | -73.3 | 179.5 | 177.3 | 0 | 0 | 112.1 | E824 Q826 E830 Q831 Q832 | E824-E828 PolarHBondContact O-N 3.22Å; Q826-E828 VanDerWaalsContact C-N 3.3Å; Q826-E828 PolarHBondContact O-N 2.95Å; E828-E830 PolarHBondContact O-N 3.37Å; E828-Q831 PolarHBondContact O-N 3.21Å; E828-Q832 WeakPolarHBondContact O-CG 3.5Å; E828-Q832 PolarHBondContact O-N 3.38Å |
| 829 | R | 92 | Very high | 90.6 | Very high | 154 Ų | 154 | 81.2 Ų | 81.2 | 58% | 0.581 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.2 | -41.4 | 176.7 | -76.5 | -177.8 | -114.2 | 166.6 | -6.2 | 112.5 | A825 Q826 Q831 K833 | A825-R829 WeakPolarHBondContact O-CG 3.35Å; A825-R829 PolarHBondContact O-N 3.29Å; A825-R829 PolarHBondContact O-NE 2.94Å; Q826-R829 PolarHBondContact O-N 3.31Å; Q826-R829 VanDerWaalsContact O-N 3.16Å; R829-Q831 VanDerWaalsContact C-N 3.34Å; R829-K833 WeakPolarHBondContact O-CB 3.41Å; R829-K833 VanDerWaalsContact O-CG 3.28Å; R829-K833 WeakPolarHBondContact O-CG 3.23Å; R829-K833 PolarHBondContact O-N 3.05Å |
| 830 | E | 92.3 | Very high | 91.4 | Very high | 42 Ų | 42 | 86.2 Ų | 86.2 | 20% | 0.196 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 176.4 | -72.8 | 174.2 | 171.8 | 0 | 0 | 111.1 | L667 R674 Q826 H827 E828 K833 L834 | L667-E830 HydrophobicContact CD1-CB 4.14Å; R674-E830 IonicContact CZ-OE1 2.77Å; R674-E830 IonicContact NH1-OE1 3.73Å; R674-E830 PolarHBondContact NH1-OE1 3.43Å; R674-E830 IonicContact NH1-OE2 3.74Å; R674-E830 PolarHBondContact NH1-OE2 2.81Å; Q826-E830 HydrophobicContact CG-CG 4.36Å; Q826-E830 PolarHBondContact NE2-OE1 2.99Å; Q826-E830 WeakPolarHBondContact O-CG 3.45Å; Q826-E830 PolarHBondContact O-N 3.47Å; H827-E830 PolarHBondContact O-N 3.12Å; E828-E830 PolarHBondContact O-N 3.37Å; E830-K833 PolarHBondContact O-N 3.15Å; E830-L834 PolarHBondContact O-N 3.35Å |
| 831 | Q | 94.4 | Very high | 91.8 | Very high | 95 Ų | 95 | 84.9 Ų | 84.9 | 44% | 0.444 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.6 | -48.7 | 176 | -177.6 | 175.4 | -10.4 | 0 | 0 | 111.6 | L667 H827 E828 R829 K833 L834 E835 | L667-Q831 HydrophobicContact CD2-CB 4.44Å; H827-Q831 WeakPolarHBondContact O-CB 3.28Å; H827-Q831 PolarHBondContact O-N 2.82Å; E828-Q831 PolarHBondContact O-N 3.21Å; R829-Q831 VanDerWaalsContact C-N 3.34Å; Q831-K833 VanDerWaalsContact C-N 3.32Å; Q831-K833 PolarHBondContact O-N 3.22Å; Q831-L834 PolarHBondContact O-N 3.24Å; Q831-L834 VanDerWaalsContact O-N 3.15Å; Q831-E835 WeakPolarHBondContact CG-OE1 3.48Å; Q831-E835 PolarHBondContact NE2-OE1 3.3Å; Q831-E835 WeakPolarHBondContact O-CG 3.28Å; Q831-E835 PolarHBondContact O-N 3.31Å |
| 832 | Q | 95.1 | Very high | 92.3 | Very high | 106 Ų | 106 | 82 Ų | 82 | 50% | 0.495 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 177 | -72.9 | 174.8 | 3.8 | 0 | 0 | 112.2 | E828 L834 E835 Q836 | E828-Q832 WeakPolarHBondContact O-CG 3.5Å; E828-Q832 PolarHBondContact O-N 3.38Å; Q832-L834 VanDerWaalsContact C-N 3.34Å; Q832-L834 PolarHBondContact O-N 3.46Å; Q832-E835 PolarHBondContact O-N 3.11Å; Q832-Q836 WeakPolarHBondContact O-CB 3.26Å; Q832-Q836 VanDerWaalsContact O-CG 3.3Å; Q832-Q836 WeakPolarHBondContact O-CG 3.38Å; Q832-Q836 PolarHBondContact O-N 2.91Å |
| 833 | K | 94.4 | Very high | 93 | Very high | 144 Ų | 144 | 79 Ų | 79 | 63% | 0.626 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.2 | -41.8 | 175.4 | -77.9 | 176.9 | 179.8 | -177.5 | 0 | 111.8 | R829 E830 Q831 K837 | R829-K833 WeakPolarHBondContact O-CB 3.41Å; R829-K833 VanDerWaalsContact O-CG 3.28Å; R829-K833 WeakPolarHBondContact O-CG 3.23Å; R829-K833 PolarHBondContact O-N 3.05Å; E830-K833 PolarHBondContact O-N 3.15Å; Q831-K833 VanDerWaalsContact C-N 3.32Å; Q831-K833 PolarHBondContact O-N 3.22Å; K833-K837 WeakPolarHBondContact O-CB 3.29Å; K833-K837 PolarHBondContact O-N 3.49Å |
| 834 | L | 95.1 | Very high | 93.6 | Very high | 26 Ų | 26 | 84.2 Ų | 84.2 | 14% | 0.136 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 176.7 | -179.6 | 61.1 | 0 | 0 | 0 | 111 | E663 Q664 L667 E830 Q831 Q832 Q836 K837 V838 | E663-L834 HydrophobicContact CB-CD1 3.91Å; E663-L834 HydrophobicContact CB-CD2 4.21Å; E663-L834 HydrophobicContact CG-CD1 4.48Å; Q664-L834 HydrophobicContact CG-CD2 4.2Å; L667-L834 HydrophobicContact CB-CD2 4.29Å; L667-L834 HydrophobicContact CD2-CB 4.34Å; L667-L834 HydrophobicContact CD2-CD2 3.77Å; E830-L834 PolarHBondContact O-N 3.35Å; Q831-L834 PolarHBondContact O-N 3.24Å; Q831-L834 VanDerWaalsContact O-N 3.15Å; Q832-L834 VanDerWaalsContact C-N 3.34Å; Q832-L834 PolarHBondContact O-N 3.46Å; L834-Q836 PolarHBondContact O-N 3.01Å; L834-K837 PolarHBondContact O-N 2.97Å; L834-V838 HydrophobicContact CD1-CG2 4.13Å; L834-V838 HydrophobicContact CG-CG2 4.4Å; L834-V838 WeakPolarHBondContact O-CB 3.37Å; L834-V838 VanDerWaalsContact O-CG2 3.27Å; L834-V838 WeakPolarHBondContact O-CG2 3.41Å; L834-V838 PolarHBondContact O-N 2.89Å |
| 835 | E | 94.4 | Very high | 93.9 | Very high | 99 Ų | 99 | 81.9 Ų | 81.9 | 46% | 0.463 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 176.6 | -73.3 | 170.7 | -174.3 | 0 | 0 | 111.9 | Q831 Q832 V838 S839 | Q831-E835 WeakPolarHBondContact CG-OE1 3.48Å; Q831-E835 PolarHBondContact NE2-OE1 3.3Å; Q831-E835 WeakPolarHBondContact O-CG 3.28Å; Q831-E835 PolarHBondContact O-N 3.31Å; Q832-E835 PolarHBondContact O-N 3.11Å; E835-V838 PolarHBondContact O-N 3.04Å; E835-S839 VanDerWaalsContact O-CB 3.25Å; E835-S839 WeakPolarHBondContact O-CB 3.4Å; E835-S839 PolarHBondContact O-N 3.07Å |
| 836 | Q | 96.1 | Very high | 94.3 | Very high | 132 Ų | 132 | 85 Ų | 85 | 62% | 0.617 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -62.4 | -44.8 | 174.3 | -74.7 | 176.3 | 0.8 | 0 | 0 | 112.2 | Q832 L834 S839 L840 | Q832-Q836 WeakPolarHBondContact O-CB 3.26Å; Q832-Q836 VanDerWaalsContact O-CG 3.3Å; Q832-Q836 WeakPolarHBondContact O-CG 3.38Å; Q832-Q836 PolarHBondContact O-N 2.91Å; L834-Q836 PolarHBondContact O-N 3.01Å; Q836-S839 PolarHBondContact O-N 3.39Å; Q836-L840 WeakPolarHBondContact O-CB 3.48Å; Q836-L840 PolarHBondContact O-N 2.9Å |
| 837 | K | 95.9 | Very high | 94.8 | Very high | 113 Ų | 113 | 85.8 Ų | 85.8 | 49% | 0.491 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 177.9 | -178 | -167.3 | 174.6 | -158.7 | 0 | 111.3 | E663 K833 L834 R841 | E663-K837 IonicContact OE1-NZ 2.67Å; E663-K837 PolarHBondContact OE1-NZ 3.43Å; K833-K837 WeakPolarHBondContact O-CB 3.29Å; K833-K837 PolarHBondContact O-N 3.49Å; L834-K837 PolarHBondContact O-N 2.97Å; K837-R841 WeakPolarHBondContact O-CB 3.4Å; K837-R841 PolarHBondContact O-N 3Å |
| 838 | V | 95.2 | Very high | 95 | Very high | 12 Ų | 12 | 89.4 Ų | 89.4 | 7% | 0.073 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 177.3 | 169.7 | 0 | 0 | 0 | 0 | 110.3 | Q660 L834 E835 L840 R841 R842 | Q660-V838 HydrophobicContact CB-CG1 4.26Å; Q660-V838 HydrophobicContact CB-CG2 4.49Å; Q660-V838 HydrophobicContact CG-CG1 3.84Å; Q660-V838 HydrophobicContact CG-CG2 4.19Å; L834-V838 HydrophobicContact CD1-CG2 4.13Å; L834-V838 HydrophobicContact CG-CG2 4.4Å; L834-V838 WeakPolarHBondContact O-CB 3.37Å; L834-V838 VanDerWaalsContact O-CG2 3.27Å; L834-V838 WeakPolarHBondContact O-CG2 3.41Å; L834-V838 PolarHBondContact O-N 2.89Å; E835-V838 PolarHBondContact O-N 3.04Å; V838-L840 PolarHBondContact O-N 3.42Å; V838-R841 PolarHBondContact O-N 3.38Å; V838-R842 WeakPolarHBondContact O-CB 3.31Å; V838-R842 PolarHBondContact O-N 2.98Å |
| 839 | S | 95.3 | Very high | 95.1 | Very high | 77 Ų | 77 | 84.8 Ų | 84.8 | 54% | 0.538 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 177.7 | 176.6 | 0 | 0 | 0 | 0 | 112.3 | E835 Q836 R842 A843 | E835-S839 VanDerWaalsContact O-CB 3.25Å; E835-S839 WeakPolarHBondContact O-CB 3.4Å; E835-S839 PolarHBondContact O-N 3.07Å; Q836-S839 PolarHBondContact O-N 3.39Å; S839-R842 PolarHBondContact O-N 3.44Å; S839-A843 WeakPolarHBondContact O-CB 3.2Å; S839-A843 PolarHBondContact O-N 2.95Å |
| 840 | L | 95.9 | Very high | 95.2 | Very high | 130 Ų | 130 | 84.4 Ų | 84.4 | 68% | 0.681 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -64.9 | -42.9 | 177.4 | -172.4 | 71.3 | 0 | 0 | 0 | 111.7 | Q836 V838 R842 A843 H844 | Q836-L840 WeakPolarHBondContact O-CB 3.48Å; Q836-L840 PolarHBondContact O-N 2.9Å; V838-L840 PolarHBondContact O-N 3.42Å; L840-R842 VanDerWaalsContact C-N 3.32Å; L840-R842 PolarHBondContact O-N 3.41Å; L840-A843 PolarHBondContact O-N 2.88Å; L840-H844 PolarHBondContact O-N 3.4Å |
| 841 | R | 95.9 | Very high | 95.3 | Very high | 71 Ų | 71 | 88 Ų | 88 | 27% | 0.268 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 175.9 | -174.3 | 176.3 | 72 | -153.3 | 0.2 | 111 | D656 E663 K837 V838 H844 L845 | D656-R841 PolarHBondContact O-NH2 3.45Å; D656-R841 IonicContact OD1-CZ 3.79Å; D656-R841 IonicContact OD1-NE 3.8Å; D656-R841 PolarHBondContact OD1-NE 2.96Å; D656-R841 IonicContact OD1-NH2 3.73Å; D656-R841 PolarHBondContact OD1-NH2 2.95Å; E663-R841 IonicContact OE1-NH1 3.87Å; E663-R841 IonicContact OE2-CZ 2.72Å; E663-R841 IonicContact OE2-NH1 2.66Å; E663-R841 PolarHBondContact OE2-NH1 3.24Å; E663-R841 IonicContact OE2-NH2 2.8Å; K837-R841 WeakPolarHBondContact O-CB 3.4Å; K837-R841 PolarHBondContact O-N 3Å; V838-R841 PolarHBondContact O-N 3.38Å; R841-H844 PolarHBondContact O-N 3.25Å; R841-L845 WeakPolarHBondContact O-CB 3.37Å; R841-L845 PolarHBondContact O-N 3.34Å |
| 842 | R | 94.9 | Very high | 95.4 | Very high | 59 Ų | 59 | 85.8 Ų | 85.8 | 22% | 0.223 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.1 | -47.8 | 177.7 | -174.7 | 62.8 | 174.2 | -138.8 | -0.7 | 112 | D656 E657 V838 S839 L840 H844 L845 E846 | D656-R842 VanDerWaalsContact OD2-CD 3.31Å; D656-R842 WeakPolarHBondContact OD2-CD 3.42Å; D656-R842 IonicContact OD2-NH1 3.91Å; D656-R842 PolarHBondContact OD2-NH1 3.23Å; D656-R842 VanDerWaalsContact OD2-NH1 3.1Å; E657-R842 IonicContact OE1-NH1 2.82Å; E657-R842 IonicContact OE1-NH2 2.68Å; V838-R842 WeakPolarHBondContact O-CB 3.31Å; V838-R842 PolarHBondContact O-N 2.98Å; S839-R842 PolarHBondContact O-N 3.44Å; L840-R842 VanDerWaalsContact C-N 3.32Å; L840-R842 PolarHBondContact O-N 3.41Å; R842-H844 VanDerWaalsContact C-N 3.31Å; R842-H844 PolarHBondContact O-N 2.96Å; R842-L845 WeakPolarHBondContact O-CB 3.16Å; R842-L845 PolarHBondContact O-N 2.86Å; R842-E846 WeakPolarHBondContact CG-OE1 3.39Å; R842-E846 IonicContact CZ-OE1 3.81Å; R842-E846 IonicContact NE-OE1 2.74Å; R842-E846 PolarHBondContact NE-OE1 3.45Å; R842-E846 WeakPolarHBondContact O-CG 3.42Å; R842-E846 PolarHBondContact O-N 2.77Å |
| 843 | A | 95.6 | Very high | 95.3 | Very high | 49 Ų | 49 | 84 Ų | 84 | 41% | 0.405 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S839 L840 E846 Q847 | S839-A843 WeakPolarHBondContact O-CB 3.2Å; S839-A843 PolarHBondContact O-N 2.95Å; L840-A843 PolarHBondContact O-N 2.88Å; A843-E846 PolarHBondContact O-N 2.94Å; A843-Q847 WeakPolarHBondContact O-CB 3.4Å; A843-Q847 PolarHBondContact O-N 3.45Å |
| 844 | H | 96.4 | Very high | 95.2 | Very high | 128 Ų | 128 | 79.3 Ų | 79.3 | 59% | 0.593 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -67 | -38.2 | 177.3 | -168.4 | 51.5 | 0 | 0 | 0 | 112.5 | L840 R841 R842 K848 | L840-H844 PolarHBondContact O-N 3.4Å; R841-H844 PolarHBondContact O-N 3.25Å; R842-H844 VanDerWaalsContact C-N 3.31Å; R842-H844 PolarHBondContact O-N 2.96Å; H844-K848 WeakPolarHBondContact O-CB 3.43Å; H844-K848 PolarHBondContact O-N 2.87Å |
| 845 | L | 95.5 | Very high | 95.2 | Very high | 27 Ų | 27 | 81.9 Ų | 81.9 | 14% | 0.141 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 174.2 | 178.4 | 62.4 | 0 | 0 | 0 | 111.3 | L652 I653 D656 R841 R842 K848 I849 | L652-L845 HydrophobicContact CB-CD1 4Å; L652-L845 HydrophobicContact CB-CD2 4.49Å; L652-L845 HydrophobicContact CD1-CD1 4.27Å; I653-L845 HydrophobicContact CG1-CD2 4.38Å; D656-L845 HydrophobicContact CB-CD2 3.99Å; R841-L845 WeakPolarHBondContact O-CB 3.37Å; R841-L845 PolarHBondContact O-N 3.34Å; R842-L845 WeakPolarHBondContact O-CB 3.16Å; R842-L845 PolarHBondContact O-N 2.86Å; L845-K848 PolarHBondContact O-N 3.13Å; L845-I849 HydrophobicContact CD1-CD1 4.14Å; L845-I849 HydrophobicContact CD1-CG1 4.42Å; L845-I849 HydrophobicContact CG-CD1 3.97Å; L845-I849 VanDerWaalsContact O-CG1 3.28Å; L845-I849 WeakPolarHBondContact O-CG1 3.43Å; L845-I849 PolarHBondContact O-N 3.3Å |
| 846 | E | 94.6 | Very high | 95.2 | Very high | 99 Ų | 99 | 78.2 Ų | 78.2 | 46% | 0.463 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 178.4 | -74.1 | 171.6 | -178.6 | 0 | 0 | 111.8 | R842 A843 K848 I849 E850 | R842-E846 WeakPolarHBondContact CG-OE1 3.39Å; R842-E846 IonicContact CZ-OE1 3.81Å; R842-E846 IonicContact NE-OE1 2.74Å; R842-E846 PolarHBondContact NE-OE1 3.45Å; R842-E846 WeakPolarHBondContact O-CG 3.42Å; R842-E846 PolarHBondContact O-N 2.77Å; A843-E846 PolarHBondContact O-N 2.94Å; E846-K848 VanDerWaalsContact C-N 3.35Å; E846-K848 PolarHBondContact O-N 3.34Å; E846-I849 PolarHBondContact O-N 2.91Å; E846-E850 PolarHBondContact O-N 3.25Å |
| 847 | Q | 96.4 | Very high | 95 | Very high | 97 Ų | 97 | 76.5 Ų | 76.5 | 45% | 0.453 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.8 | -46.3 | 173.8 | -177 | -173.5 | -6.7 | 0 | 0 | 111.5 | A843 I849 E850 E851 | A843-Q847 WeakPolarHBondContact O-CB 3.4Å; A843-Q847 PolarHBondContact O-N 3.45Å; Q847-I849 VanDerWaalsContact C-N 3.31Å; Q847-I849 PolarHBondContact O-N 2.9Å; Q847-E850 WeakPolarHBondContact O-CB 3.26Å; Q847-E850 PolarHBondContact O-N 3.41Å; Q847-E851 PolarHBondContact NE2-OE1 3.26Å; Q847-E851 WeakPolarHBondContact O-CG 3.32Å; Q847-E851 PolarHBondContact O-N 2.84Å |
| 848 | K | 95.9 | Very high | 95 | Very high | 97 Ų | 97 | 77.6 Ų | 77.6 | 42% | 0.422 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 178.6 | -176.4 | -179.7 | 176.5 | -173.4 | 0 | 111.7 | H844 L845 E846 E850 E851 E852 | H844-K848 WeakPolarHBondContact O-CB 3.43Å; H844-K848 PolarHBondContact O-N 2.87Å; L845-K848 PolarHBondContact O-N 3.13Å; E846-K848 VanDerWaalsContact C-N 3.35Å; E846-K848 PolarHBondContact O-N 3.34Å; K848-E850 VanDerWaalsContact C-N 3.34Å; K848-E851 PolarHBondContact O-N 3.31Å; K848-E852 WeakPolarHBondContact CE-OE1 3.4Å; K848-E852 WeakPolarHBondContact O-CB 3.37Å; K848-E852 WeakPolarHBondContact O-CG 3.37Å; K848-E852 PolarHBondContact O-N 3.37Å |
| 849 | I | 95.3 | Very high | 94.9 | Very high | 24 Ų | 24 | 79.8 Ų | 79.8 | 12% | 0.123 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.1 | -45 | 175.6 | -72.9 | 168.4 | 0 | 0 | 0 | 110.2 | H649 I653 L845 E846 Q847 E852 L853 | H649-I849 HydrophobicContact CB-CD1 4.14Å; H649-I849 HydrophobicContact CB-CG1 4.14Å; H649-I849 HydrophobicContact CB-CG2 4.36Å; I653-I849 HydrophobicContact CD1-CD1 4.07Å; I653-I849 HydrophobicContact CG1-CD1 4.07Å; L845-I849 HydrophobicContact CD1-CD1 4.14Å; L845-I849 HydrophobicContact CD1-CG1 4.42Å; L845-I849 HydrophobicContact CG-CD1 3.97Å; L845-I849 VanDerWaalsContact O-CG1 3.28Å; L845-I849 WeakPolarHBondContact O-CG1 3.43Å; L845-I849 PolarHBondContact O-N 3.3Å; E846-I849 PolarHBondContact O-N 2.91Å; Q847-I849 VanDerWaalsContact C-N 3.31Å; Q847-I849 PolarHBondContact O-N 2.9Å; I849-E852 PolarHBondContact O-N 3.01Å; I849-L853 HydrophobicContact CG2-CD1 3.89Å; I849-L853 HydrophobicContact CG2-CG 4.42Å; I849-L853 WeakPolarHBondContact O-CB 3.49Å; I849-L853 VanDerWaalsContact O-CG 3.28Å; I849-L853 WeakPolarHBondContact O-CG 3.32Å; I849-L853 PolarHBondContact O-N 3.48Å |
| 850 | E | 94.6 | Very high | 94.9 | Very high | 146 Ų | 146 | 80.2 Ų | 80.2 | 68% | 0.682 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -62.1 | -45.6 | 178.1 | -172.2 | 174.4 | -167.9 | 0 | 0 | 112.3 | E846 Q847 K848 L853 G854 | E846-E850 PolarHBondContact O-N 3.25Å; Q847-E850 WeakPolarHBondContact O-CB 3.26Å; Q847-E850 PolarHBondContact O-N 3.41Å; K848-E850 VanDerWaalsContact C-N 3.34Å; E850-L853 PolarHBondContact O-N 2.99Å; E850-G854 PolarHBondContact O-N 3.36Å |
| 851 | E | 95.3 | Very high | 94.8 | Very high | 116 Ų | 116 | 77.4 Ų | 77.4 | 54% | 0.542 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 176.1 | -72.5 | 174.3 | -171.5 | 0 | 0 | 111.9 | Q847 K848 G854 S855 | Q847-E851 PolarHBondContact NE2-OE1 3.26Å; Q847-E851 WeakPolarHBondContact O-CG 3.32Å; Q847-E851 PolarHBondContact O-N 2.84Å; K848-E851 PolarHBondContact O-N 3.31Å; E851-G854 PolarHBondContact O-N 3.49Å; E851-S855 WeakPolarHBondContact O-CB 3.49Å; E851-S855 PolarHBondContact O-N 3.03Å |
| 852 | E | 94.8 | Very high | 94.7 | Very high | 49 Ų | 49 | 78.1 Ų | 78.1 | 23% | 0.229 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 177.4 | -76.5 | -171.4 | -168.9 | 0 | 0 | 112.3 | K645 H649 K848 I849 S855 L856 | K645-E852 IonicContact NZ-OE1 3.73Å; K645-E852 IonicContact NZ-OE2 3.51Å; K645-E852 PolarHBondContact NZ-OE2 3.47Å; H649-E852 IonicContact CD2-OE2 2.74Å; H649-E852 IonicContact CE1-OE2 3.99Å; H649-E852 IonicContact NE2-OE2 3Å; H649-E852 PolarHBondContact NE2-OE2 2.89Å; K848-E852 WeakPolarHBondContact CE-OE1 3.4Å; K848-E852 WeakPolarHBondContact O-CB 3.37Å; K848-E852 WeakPolarHBondContact O-CG 3.37Å; K848-E852 PolarHBondContact O-N 3.37Å; I849-E852 PolarHBondContact O-N 3.01Å; E852-S855 PolarHBondContact O-N 2.93Å; E852-L856 WeakPolarHBondContact O-CB 3.39Å; E852-L856 PolarHBondContact O-N 3.49Å |
| 853 | L | 93.4 | Very high | 94.7 | Very high | 70 Ų | 70 | 79.8 Ų | 79.8 | 37% | 0.366 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 175.3 | -73.1 | 173 | 0 | 0 | 0 | 111.5 | I849 E850 L856 Q857 | I849-L853 HydrophobicContact CG2-CD1 3.89Å; I849-L853 HydrophobicContact CG2-CG 4.42Å; I849-L853 WeakPolarHBondContact O-CB 3.49Å; I849-L853 VanDerWaalsContact O-CG 3.28Å; I849-L853 WeakPolarHBondContact O-CG 3.32Å; I849-L853 PolarHBondContact O-N 3.48Å; E850-L853 PolarHBondContact O-N 2.99Å; L853-L856 PolarHBondContact O-N 2.75Å; L853-Q857 WeakPolarHBondContact O-CB 3.33Å; L853-Q857 PolarHBondContact O-N 3.24Å |
| 854 | G | 93.5 | Very high | 94.7 | Very high | 44 Ų | 44 | 79.9 Ų | 79.9 | 45% | 0.454 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E850 E851 L856 Q857 K858 | E850-G854 PolarHBondContact O-N 3.36Å; E851-G854 PolarHBondContact O-N 3.49Å; G854-L856 PolarHBondContact O-N 3.02Å; G854-Q857 PolarHBondContact O-N 3.38Å; G854-K858 PolarHBondContact O-N 3.23Å |
| 855 | S | 94.4 | Very high | 94.6 | Very high | 80 Ų | 80 | 79.8 Ų | 79.8 | 56% | 0.559 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.7 | -42.9 | 175.8 | -175.5 | 0 | 0 | 0 | 0 | 112 | E851 E852 K858 E859 | E851-S855 WeakPolarHBondContact O-CB 3.49Å; E851-S855 PolarHBondContact O-N 3.03Å; E852-S855 PolarHBondContact O-N 2.93Å; S855-K858 PolarHBondContact O-N 2.84Å; S855-E859 PolarHBondContact O-N 3.47Å |
| 856 | L | 93.6 | Very high | 94.6 | Very high | 22 Ų | 22 | 85.6 Ų | 85.6 | 12% | 0.115 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 178.3 | -177.1 | 71.4 | 0 | 0 | 0 | 111.7 | K641 K642 K645 E852 L853 G854 K858 E859 R860 | K641-L856 HydrophobicContact CD-CD1 3.95Å; K641-L856 HydrophobicContact CG-CD1 4.12Å; K642-L856 HydrophobicContact CB-CD2 4.11Å; K642-L856 HydrophobicContact CG-CD2 4.13Å; K645-L856 HydrophobicContact CB-CD2 4.33Å; E852-L856 WeakPolarHBondContact O-CB 3.39Å; E852-L856 PolarHBondContact O-N 3.49Å; L853-L856 PolarHBondContact O-N 2.75Å; G854-L856 PolarHBondContact O-N 3.02Å; L856-K858 VanDerWaalsContact C-N 3.34Å; L856-E859 PolarHBondContact O-N 3.33Å; L856-R860 WeakPolarHBondContact O-CB 3.31Å; L856-R860 PolarHBondContact O-N 3.46Å |
| 857 | Q | 93.5 | Very high | 94.6 | Very high | 97 Ų | 97 | 81.5 Ų | 81.5 | 45% | 0.453 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 177.3 | -176.9 | 63.4 | 8 | 0 | 0 | 111.5 | L853 G854 R860 T861 | L853-Q857 WeakPolarHBondContact O-CB 3.33Å; L853-Q857 PolarHBondContact O-N 3.24Å; G854-Q857 PolarHBondContact O-N 3.38Å; Q857-R860 WeakPolarHBondContact O-CB 3.44Å; Q857-R860 PolarHBondContact O-N 2.83Å; Q857-T861 PolarHBondContact O-N 2.89Å; Q857-T861 PolarHBondContact O-OG1 3.46Å |
| 858 | K | 94.7 | Very high | 94.5 | Very high | 135 Ų | 135 | 80.5 Ų | 80.5 | 59% | 0.587 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.2 | -46.3 | 173.3 | -176.1 | -178.9 | 176.8 | -175.6 | 0 | 112.1 | G854 S855 L856 R860 T861 D862 | G854-K858 PolarHBondContact O-N 3.23Å; S855-K858 PolarHBondContact O-N 2.84Å; L856-K858 VanDerWaalsContact C-N 3.34Å; K858-R860 VanDerWaalsContact C-N 3.25Å; K858-R860 PolarHBondContact O-N 3.44Å; K858-T861 WeakPolarHBondContact CA-OG1 3.35Å; K858-T861 PolarHBondContact O-N 2.97Å; K858-T861 PolarHBondContact O-OG1 3.44Å; K858-D862 WeakPolarHBondContact O-CB 3.43Å; K858-D862 VanDerWaalsContact O-CG 3.28Å; K858-D862 PolarHBondContact O-N 2.97Å |
| 859 | E | 93.8 | Very high | 94.4 | Very high | 58 Ų | 58 | 78.9 Ų | 78.9 | 27% | 0.271 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.4 | -43.2 | 175.1 | -175.7 | -171.2 | 166.2 | 0 | 0 | 110.8 | K641 S855 L856 T861 D862 R863 | K641-E859 IonicContact NZ-OE1 2.74Å; K641-E859 PolarHBondContact NZ-OE1 2.8Å; K641-E859 IonicContact NZ-OE2 3.98Å; K641-E859 PolarHBondContact NZ-OE2 2.68Å; S855-E859 PolarHBondContact O-N 3.47Å; L856-E859 PolarHBondContact O-N 3.33Å; E859-T861 PolarHBondContact O-N 2.97Å; E859-D862 PolarHBondContact O-N 3.19Å; E859-R863 WeakPolarHBondContact O-CB 3.28Å; E859-R863 PolarHBondContact O-N 3.01Å; E859-R863 IonicContact OE1-NH1 3.64Å |
| 860 | R | 94.2 | Very high | 94.4 | Very high | 87 Ų | 87 | 81.4 Ų | 81.4 | 33% | 0.328 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.3 | -48.3 | 176.6 | -173.3 | -169.4 | -178.2 | -176 | 1.3 | 111.6 | L638 L856 Q857 K858 I864 | L638-R860 HydrophobicContact CB-CG 4.4Å; L638-R860 HydrophobicContact CD1-CG 3.94Å; L638-R860 HydrophobicContact CD2-CB 4.41Å; L638-R860 HydrophobicContact CD2-CG 4.49Å; L856-R860 WeakPolarHBondContact O-CB 3.31Å; L856-R860 PolarHBondContact O-N 3.46Å; Q857-R860 WeakPolarHBondContact O-CB 3.44Å; Q857-R860 PolarHBondContact O-N 2.83Å; K858-R860 VanDerWaalsContact C-N 3.25Å; K858-R860 PolarHBondContact O-N 3.44Å; R860-I864 HydrophobicContact CG-CD1 4.08Å; R860-I864 VanDerWaalsContact O-CG1 3.27Å; R860-I864 WeakPolarHBondContact O-CG1 3.45Å; R860-I864 PolarHBondContact O-N 3.26Å; R860-I864 VanDerWaalsContact O-N 3.16Å |
| 861 | T | 94.3 | Very high | 94.4 | Very high | 70 Ų | 70 | 74.8 Ų | 74.8 | 43% | 0.429 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 179.9 | 49.6 | 0 | 0 | 0 | 0 | 112.1 | Q857 K858 E859 R863 I864 K865 | Q857-T861 PolarHBondContact O-N 2.89Å; Q857-T861 PolarHBondContact O-OG1 3.46Å; K858-T861 WeakPolarHBondContact CA-OG1 3.35Å; K858-T861 PolarHBondContact O-N 2.97Å; K858-T861 PolarHBondContact O-OG1 3.44Å; E859-T861 PolarHBondContact O-N 2.97Å; T861-R863 PolarHBondContact O-N 3.15Å; T861-I864 PolarHBondContact O-N 3.43Å; T861-K865 VanDerWaalsContact O-CB 3.29Å; T861-K865 WeakPolarHBondContact O-CB 3.22Å; T861-K865 PolarHBondContact O-N 3.5Å |
| 862 | D | 94.8 | Very high | 94.3 | Very high | 86 Ų | 86 | 74.9 Ų | 74.9 | 46% | 0.46 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | -177.3 | -70 | -13 | 0 | 0 | 0 | 111.1 | K858 E859 K865 Y866 | K858-D862 WeakPolarHBondContact O-CB 3.43Å; K858-D862 VanDerWaalsContact O-CG 3.28Å; K858-D862 PolarHBondContact O-N 2.97Å; E859-D862 PolarHBondContact O-N 3.19Å; D862-K865 PolarHBondContact O-N 2.98Å; D862-Y866 VanDerWaalsContact O-CB 3.3Å; D862-Y866 WeakPolarHBondContact O-CB 3.5Å; D862-Y866 PolarHBondContact O-N 3.04Å |
| 863 | R | 94.9 | Very high | 94.3 | Very high | 94 Ų | 94 | 79.8 Ų | 79.8 | 36% | 0.355 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -70.7 | -38.9 | -179.1 | -169.4 | 139.2 | 174.1 | -169.7 | -9.5 | 112.6 | I634 E637 E859 T861 L867 | I634-R863 HydrophobicContact CD1-CG 3.46Å; I634-R863 VanDerWaalsContact CD1-CG 3.46Å; I634-R863 HydrophobicContact CG1-CG 4.06Å; E637-R863 VanDerWaalsContact CD-NH2 3.29Å; E637-R863 IonicContact OE1-CZ 2.76Å; E637-R863 IonicContact OE1-NH1 2.77Å; E637-R863 IonicContact OE1-NH2 2.8Å; E637-R863 PolarHBondContact OE1-NH2 3.4Å; E637-R863 IonicContact OE2-NH2 3.79Å; E637-R863 PolarHBondContact OE2-NH2 2.83Å; E859-R863 WeakPolarHBondContact O-CB 3.28Å; E859-R863 PolarHBondContact O-N 3.01Å; E859-R863 IonicContact OE1-NH1 3.64Å; T861-R863 PolarHBondContact O-N 3.15Å; R863-L867 PolarHBondContact O-N 3.29Å; R863-L867 VanDerWaalsContact O-N 3.17Å |
| 864 | I | 94 | Very high | 94.3 | Very high | 52 Ų | 52 | 79.1 Ų | 79.1 | 27% | 0.267 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.8 | -46.9 | 172.5 | -69 | 170 | 0 | 0 | 0 | 110.3 | L638 R860 T861 Y866 L867 L868 | L638-I864 HydrophobicContact CD1-CD1 4.25Å; L638-I864 HydrophobicContact CD1-CG1 3.98Å; R860-I864 HydrophobicContact CG-CD1 4.08Å; R860-I864 VanDerWaalsContact O-CG1 3.27Å; R860-I864 WeakPolarHBondContact O-CG1 3.45Å; R860-I864 PolarHBondContact O-N 3.26Å; R860-I864 VanDerWaalsContact O-N 3.16Å; T861-I864 PolarHBondContact O-N 3.43Å; I864-Y866 PolarHBondContact O-N 3.46Å; I864-L867 PolarHBondContact O-N 3.33Å; I864-L868 HydrophobicContact CG2-CD1 3.95Å; I864-L868 HydrophobicContact CG2-CG 4.43Å; I864-L868 WeakPolarHBondContact O-CG 3.46Å; I864-L868 PolarHBondContact O-N 2.96Å |
| 865 | K | 94.8 | Very high | 94.2 | Very high | 126 Ų | 126 | 79 Ų | 79 | 55% | 0.548 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.3 | -48.7 | 178.8 | -177.6 | -178.7 | 176.5 | -176.4 | 0 | 111.4 | T861 D862 L867 L868 D869 | T861-K865 VanDerWaalsContact O-CB 3.29Å; T861-K865 WeakPolarHBondContact O-CB 3.22Å; T861-K865 PolarHBondContact O-N 3.5Å; D862-K865 PolarHBondContact O-N 2.98Å; K865-L867 VanDerWaalsContact C-N 3.27Å; K865-L867 PolarHBondContact O-N 2.89Å; K865-L868 PolarHBondContact O-N 3.48Å; K865-L868 VanDerWaalsContact O-N 3.15Å; K865-D869 WeakPolarHBondContact O-CB 3.45Å; K865-D869 VanDerWaalsContact O-CG 3.29Å; K865-D869 PolarHBondContact O-N 3.48Å |
| 866 | Y | 95.4 | Very high | 94 | Very high | 149 Ų | 149 | 79.2 Ų | 79.2 | 58% | 0.584 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -57.7 | -40.4 | 178.2 | 178.1 | -96.9 | 0 | 0 | 0 | 112.5 | D862 I864 R870 | D862-Y866 VanDerWaalsContact O-CB 3.3Å; D862-Y866 WeakPolarHBondContact O-CB 3.5Å; D862-Y866 PolarHBondContact O-N 3.04Å; I864-Y866 PolarHBondContact O-N 3.46Å; Y866-R870 VanDerWaalsContact O-CB 3.32Å; Y866-R870 WeakPolarHBondContact O-CB 3.41Å; Y866-R870 PolarHBondContact O-N 2.93Å |
| 867 | L | 94.8 | Very high | 93.9 | Very high | 13 Ų | 13 | 81.9 Ų | 81.9 | 7% | 0.068 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.2 | -49.5 | 175.9 | -179 | 66 | 0 | 0 | 0 | 110.9 | E630 Q631 I634 R863 I864 K865 R870 Q871 | E630-L867 HydrophobicContact CB-CD1 4.38Å; E630-L867 HydrophobicContact CB-CD2 4.49Å; Q631-L867 HydrophobicContact CB-CD2 4.34Å; Q631-L867 HydrophobicContact CG-CD2 3.78Å; I634-L867 HydrophobicContact CB-CD2 4.31Å; I634-L867 HydrophobicContact CD1-CB 4.27Å; I634-L867 HydrophobicContact CD1-CD2 4.08Å; I634-L867 HydrophobicContact CG2-CD2 3.74Å; R863-L867 PolarHBondContact O-N 3.29Å; R863-L867 VanDerWaalsContact O-N 3.17Å; I864-L867 PolarHBondContact O-N 3.33Å; K865-L867 VanDerWaalsContact C-N 3.27Å; K865-L867 PolarHBondContact O-N 2.89Å; L867-R870 WeakPolarHBondContact O-CB 3.46Å; L867-R870 PolarHBondContact O-N 3.13Å; L867-Q871 HydrophobicContact CD1-CG 4.28Å; L867-Q871 HydrophobicContact CG-CG 4.4Å; L867-Q871 VanDerWaalsContact O-CG 3.23Å; L867-Q871 WeakPolarHBondContact O-CG 3.34Å; L867-Q871 PolarHBondContact O-N 3.44Å |
| 868 | L | 93.9 | Very high | 93.8 | Very high | 75 Ų | 75 | 78.5 Ų | 78.5 | 39% | 0.393 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | -179.8 | -67.1 | 173.9 | 0 | 0 | 0 | 111.8 | I864 K865 R870 Q871 E872 | I864-L868 HydrophobicContact CG2-CD1 3.95Å; I864-L868 HydrophobicContact CG2-CG 4.43Å; I864-L868 WeakPolarHBondContact O-CG 3.46Å; I864-L868 PolarHBondContact O-N 2.96Å; K865-L868 PolarHBondContact O-N 3.48Å; K865-L868 VanDerWaalsContact O-N 3.15Å; L868-R870 PolarHBondContact O-N 3.15Å; L868-Q871 PolarHBondContact O-N 3.45Å; L868-Q871 VanDerWaalsContact O-N 3.1Å; L868-E872 WeakPolarHBondContact O-CB 3.42Å; L868-E872 PolarHBondContact O-N 2.94Å |
| 869 | D | 94.1 | Very high | 93.5 | Very high | 64 Ų | 64 | 73.7 Ų | 73.7 | 34% | 0.342 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.5 | -30.8 | 177.6 | -66.6 | -4.2 | 0 | 0 | 0 | 111.9 | K865 R873 | K865-D869 WeakPolarHBondContact O-CB 3.45Å; K865-D869 VanDerWaalsContact O-CG 3.29Å; K865-D869 PolarHBondContact O-N 3.48Å; D869-R873 WeakPolarHBondContact O-CG 3.14Å; D869-R873 PolarHBondContact O-N 3.41Å; D869-R873 PolarHBondContact O-NE 3.49Å |
| 870 | R | 96.1 | Very high | 93.2 | Very high | 77 Ų | 77 | 76.4 Ų | 76.4 | 29% | 0.291 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.2 | -46.8 | 172.8 | -175.8 | -172.6 | 75.8 | 161.3 | 6.4 | 110.8 | E630 Y866 L867 L868 R873 E874 | E630-R870 IonicContact OE1-NH2 3.12Å; E630-R870 PolarHBondContact OE1-NH2 3.31Å; E630-R870 IonicContact OE2-CZ 2.74Å; E630-R870 IonicContact OE2-NH2 3.36Å; E630-R870 PolarHBondContact OE2-NH2 3.03Å; Y866-R870 VanDerWaalsContact O-CB 3.32Å; Y866-R870 WeakPolarHBondContact O-CB 3.41Å; Y866-R870 PolarHBondContact O-N 2.93Å; L867-R870 WeakPolarHBondContact O-CB 3.46Å; L867-R870 PolarHBondContact O-N 3.13Å; L868-R870 PolarHBondContact O-N 3.15Å; R870-R873 PolarHBondContact O-N 3.18Å; R870-E874 IonicContact NE-OE1 3.62Å; R870-E874 WeakPolarHBondContact O-CG 3.23Å; R870-E874 PolarHBondContact O-N 2.78Å |
| 871 | Q | 94.6 | Very high | 92.9 | Very high | 7 Ų | 7 | 76 Ų | 76 | 3% | 0.033 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.7 | -41.2 | -178.1 | -70.2 | 179.2 | -15.5 | 0 | 0 | 111.6 | H627 E630 L867 L868 E874 I875 | H627-Q871 VanDerWaalsContact CA-NE2 3.28Å; H627-Q871 VanDerWaalsContact CB-CD 3.48Å; H627-Q871 HydrophobicContact CB-CG 4.05Å; H627-Q871 PolarHBondContact O-NE2 2.86Å; E630-Q871 PolarHBondContact OE2-NE2 3.25Å; L867-Q871 HydrophobicContact CD1-CG 4.28Å; L867-Q871 HydrophobicContact CG-CG 4.4Å; L867-Q871 VanDerWaalsContact O-CG 3.23Å; L867-Q871 WeakPolarHBondContact O-CG 3.34Å; L867-Q871 PolarHBondContact O-N 3.44Å; L868-Q871 PolarHBondContact O-N 3.45Å; L868-Q871 VanDerWaalsContact O-N 3.1Å; Q871-E874 PolarHBondContact O-N 3.48Å; Q871-I875 WeakPolarHBondContact O-CG1 3.08Å; Q871-I875 PolarHBondContact O-N 2.87Å |
| 872 | E | 93.2 | Very high | 92.6 | Very high | 118 Ų | 118 | 72.7 Ų | 72.7 | 55% | 0.551 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -58.8 | -50.2 | 173.8 | -174.7 | 174.5 | -154.4 | 0 | 0 | 111.3 | L868 E874 I875 D876 | L868-E872 WeakPolarHBondContact O-CB 3.42Å; L868-E872 PolarHBondContact O-N 2.94Å; E872-E874 VanDerWaalsContact C-N 3.3Å; E872-E874 PolarHBondContact O-N 2.97Å; E872-I875 PolarHBondContact O-N 2.95Å; E872-I875 VanDerWaalsContact O-N 3.14Å; E872-D876 PolarHBondContact O-N 3.4Å |
| 873 | R | 93.8 | Very high | 92.1 | Very high | 151 Ų | 151 | 72.8 Ų | 72.8 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.9 | -37.6 | 175.9 | -76 | -177.6 | -71 | 157.7 | -4.7 | 113.4 | D869 R870 S877 | D869-R873 WeakPolarHBondContact O-CG 3.14Å; D869-R873 PolarHBondContact O-N 3.41Å; D869-R873 PolarHBondContact O-NE 3.49Å; R870-R873 PolarHBondContact O-N 3.18Å; R873-S877 VanDerWaalsContact O-CB 3.24Å; R873-S877 WeakPolarHBondContact O-CB 3.4Å; R873-S877 PolarHBondContact O-N 3.44Å |
| 874 | E | 93 | Very high | 91.7 | Very high | 57 Ų | 57 | 77.6 Ų | 77.6 | 27% | 0.266 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 175.6 | -78.3 | 179.9 | -163.3 | 0 | 0 | 111.8 | R626 H627 R870 Q871 E872 F878 | R626-E874 IonicContact NH2-OE2 3.38Å; R626-E874 PolarHBondContact NH2-OE2 3.29Å; H627-E874 IonicContact CD2-OE2 2.8Å; H627-E874 IonicContact CE1-OE2 3.18Å; H627-E874 IonicContact NE2-OE2 3.62Å; H627-E874 PolarHBondContact NE2-OE2 3.42Å; R870-E874 IonicContact NE-OE1 3.62Å; R870-E874 WeakPolarHBondContact O-CG 3.23Å; R870-E874 PolarHBondContact O-N 2.78Å; Q871-E874 PolarHBondContact O-N 3.48Å; E872-E874 VanDerWaalsContact C-N 3.3Å; E872-E874 PolarHBondContact O-N 2.97Å; E874-F878 VanDerWaalsContact O-CB 3.3Å; E874-F878 WeakPolarHBondContact O-CB 3.36Å; E874-F878 PolarHBondContact O-N 3.42Å |
| 875 | I | 91.6 | Very high | 91.2 | Very high | 40 Ų | 40 | 79.7 Ų | 79.7 | 21% | 0.205 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.5 | -49.5 | 177.4 | -68.7 | 168.6 | 0 | 0 | 0 | 110.3 | M623 Q871 E872 S877 F878 D879 | M623-I875 HydrophobicContact SD-CG1 4.44Å; Q871-I875 WeakPolarHBondContact O-CG1 3.08Å; Q871-I875 PolarHBondContact O-N 2.87Å; E872-I875 PolarHBondContact O-N 2.95Å; E872-I875 VanDerWaalsContact O-N 3.14Å; I875-S877 VanDerWaalsContact C-N 3.34Å; I875-S877 PolarHBondContact O-N 2.99Å; I875-F878 WeakPolarHBondContact O-CB 3.44Å; I875-F878 PolarHBondContact O-N 3.01Å; I875-F878 VanDerWaalsContact O-N 3.08Å; I875-D879 WeakPolarHBondContact O-CB 3.44Å; I875-D879 PolarHBondContact O-N 3.13Å |
| 876 | D | 90.4 | Very high | 90.4 | Very high | 85 Ų | 85 | 76.9 Ų | 76.9 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.8 | -46.7 | 179.4 | -75.3 | -14.8 | 0 | 0 | 0 | 111.3 | E872 F878 D879 M880 | E872-D876 PolarHBondContact O-N 3.4Å; D876-F878 VanDerWaalsContact C-N 3.29Å; D876-F878 PolarHBondContact O-N 3.2Å; D876-D879 PolarHBondContact O-N 2.6Å; D876-M880 WeakPolarHBondContact O-CB 3.18Å; D876-M880 VanDerWaalsContact O-CG 3.24Å; D876-M880 WeakPolarHBondContact O-CG 3.33Å; D876-M880 PolarHBondContact O-N 3.46Å |
| 877 | S | 91.7 | Very high | 89.5 | Confident | 79 Ų | 79 | 70.5 Ų | 70.5 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.4 | -39.4 | 176.1 | -176.2 | 0 | 0 | 0 | 0 | 111.8 | R873 I875 E881 | R873-S877 VanDerWaalsContact O-CB 3.24Å; R873-S877 WeakPolarHBondContact O-CB 3.4Å; R873-S877 PolarHBondContact O-N 3.44Å; I875-S877 VanDerWaalsContact C-N 3.34Å; I875-S877 PolarHBondContact O-N 2.99Å; S877-E881 WeakPolarHBondContact O-CB 3.2Å; S877-E881 PolarHBondContact O-N 2.92Å; S877-E881 VanDerWaalsContact O-N 3.12Å |
| 878 | F | 91.7 | Very high | 88.3 | Confident | 25 Ų | 25 | 72 Ų | 72 | 11% | 0.11 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.7 | -41 | 178.5 | -176.6 | -86.2 | 0 | 0 | 0 | 112 | R616 K619 R620 M623 E874 I875 D876 S882 L890 | R616-F878 HydrophobicContact CG-CE1 4.12Å; R616-F878 HydrophobicContact CG-CZ 3.95Å; R616-F878 PolarHBondContact NH2-O 2.75Å; R616-F878 WeakPolarHBondContact O-CZ 3.49Å; K619-F878 HydrophobicContact CB-CE2 4.21Å; K619-F878 HydrophobicContact CB-CZ 3.93Å; R620-F878 HydrophobicContact CB-CD1 4.2Å; R620-F878 HydrophobicContact CB-CE1 3.59Å; R620-F878 HydrophobicContact CB-CZ 4.19Å; R620-F878 HydrophobicContact CG-CD1 4.01Å; R620-F878 HydrophobicContact CG-CE1 3.91Å; M623-F878 HydrophobicContact CE-CB 3.96Å; M623-F878 HydrophobicContact CE-CD2 3.45Å; M623-F878 VanDerWaalsContact CE-CD2 3.45Å; M623-F878 HydrophobicContact CE-CE2 4.14Å; M623-F878 HydrophobicContact CE-CG 3.83Å; M623-F878 HydrophobicContact SD-CB 4.22Å; M623-F878 HydrophobicContact SD-CG 4.4Å; E874-F878 VanDerWaalsContact O-CB 3.3Å; E874-F878 WeakPolarHBondContact O-CB 3.36Å; E874-F878 PolarHBondContact O-N 3.42Å; I875-F878 WeakPolarHBondContact O-CB 3.44Å; I875-F878 PolarHBondContact O-N 3.01Å; I875-F878 VanDerWaalsContact O-N 3.08Å; D876-F878 VanDerWaalsContact C-N 3.29Å; D876-F878 PolarHBondContact O-N 3.2Å; F878-S882 WeakPolarHBondContact O-CB 3.43Å; F878-S882 PolarHBondContact O-N 2.93Å; F878-S882 PolarHBondContact O-OG 2.96Å; F878-L890 HydrophobicContact CE1-CD1 4.41Å |
| 879 | D | 88.3 | Confident | 87.1 | Confident | 34 Ų | 34 | 73.8 Ų | 73.8 | 18% | 0.182 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -74.2 | -38.9 | -178.7 | -74.7 | -15.8 | 0 | 0 | 0 | 111.8 | R620 I875 D876 S882 T883 | R620-D879 WeakPolarHBondContact CD-OD1 3.37Å; R620-D879 IonicContact CZ-OD1 2.66Å; R620-D879 IonicContact CZ-OD2 2.63Å; R620-D879 IonicContact NE-OD1 3.3Å; R620-D879 PolarHBondContact NE-OD1 3.06Å; R620-D879 IonicContact NE-OD2 2.96Å; R620-D879 PolarHBondContact NE-OD2 2.84Å; R620-D879 VanDerWaalsContact NE-OD2 3.12Å; R620-D879 IonicContact NH2-OD1 2.86Å; R620-D879 IonicContact NH2-OD2 3.23Å; R620-D879 PolarHBondContact NH2-OD2 3.27Å; I875-D879 WeakPolarHBondContact O-CB 3.44Å; I875-D879 PolarHBondContact O-N 3.13Å; D876-D879 PolarHBondContact O-N 2.6Å; D879-S882 WeakPolarHBondContact O-CB 3.2Å; D879-S882 PolarHBondContact O-N 3.47Å; D879-T883 PolarHBondContact O-N 3.39Å; D879-T883 PolarHBondContact O-OG1 3.44Å |
| 880 | M | 87.8 | Confident | 85.9 | Confident | 116 Ų | 116 | 71.2 Ų | 71.2 | 57% | 0.571 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -59.9 | -46.1 | 170.9 | -75.7 | -176.4 | 72.1 | 0 | 0 | 111.6 | D876 S882 T883 R884 | D876-M880 WeakPolarHBondContact O-CB 3.18Å; D876-M880 VanDerWaalsContact O-CG 3.24Å; D876-M880 WeakPolarHBondContact O-CG 3.33Å; D876-M880 PolarHBondContact O-N 3.46Å; M880-S882 VanDerWaalsContact C-N 3.32Å; M880-S882 PolarHBondContact O-N 2.76Å; M880-T883 PolarHBondContact O-N 3.17Å; M880-R884 WeakPolarHBondContact O-CG 3.3Å; M880-R884 PolarHBondContact O-N 3.43Å |
| 881 | E | 88.4 | Confident | 84.1 | Confident | 77 Ų | 77 | 69.8 Ų | 69.8 | 36% | 0.36 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 177 | -179.1 | 56.9 | -155 | 0 | 0 | 111.6 | S877 T883 R884 Q885 | S877-E881 WeakPolarHBondContact O-CB 3.2Å; S877-E881 PolarHBondContact O-N 2.92Å; S877-E881 VanDerWaalsContact O-N 3.12Å; E881-T883 VanDerWaalsContact C-N 3.3Å; E881-T883 PolarHBondContact O-N 2.75Å; E881-R884 PolarHBondContact O-N 3.43Å; E881-Q885 WeakPolarHBondContact O-CG 3.47Å; E881-Q885 PolarHBondContact O-N 3.37Å; E881-Q885 VanDerWaalsContact O-N 3.1Å; E881-Q885 PolarHBondContact OE1-NE2 3.02Å |
| 882 | S | 86.9 | Confident | 81.9 | Confident | 2 Ų | 2 | 74.7 Ų | 74.7 | 1% | 0.014 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.1 | -40 | 174.9 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | R616 F878 D879 M880 Q885 F887 L890 | R616-S882 PolarHBondContact NE-OG 2.9Å; R616-S882 PolarHBondContact NH2-OG 3.05Å; F878-S882 WeakPolarHBondContact O-CB 3.43Å; F878-S882 PolarHBondContact O-N 2.93Å; F878-S882 PolarHBondContact O-OG 2.96Å; D879-S882 WeakPolarHBondContact O-CB 3.2Å; D879-S882 PolarHBondContact O-N 3.47Å; M880-S882 VanDerWaalsContact C-N 3.32Å; M880-S882 PolarHBondContact O-N 2.76Å; S882-Q885 PolarHBondContact O-N 2.93Å; S882-F887 WeakPolarHBondContact O-CB 3.33Å; S882-F887 PolarHBondContact O-N 3.15Å; S882-F887 VanDerWaalsContact O-N 3.13Å; S882-L890 WeakPolarHBondContact OG-CD1 3.49Å |
| 883 | T | 85.1 | Confident | 79.8 | Confident | 88 Ų | 88 | 71.7 Ų | 71.7 | 54% | 0.54 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 177 | -52.8 | 0 | 0 | 0 | 0 | 111.5 | D879 M880 E881 Q885 G886 F887 | D879-T883 PolarHBondContact O-N 3.39Å; D879-T883 PolarHBondContact O-OG1 3.44Å; M880-T883 PolarHBondContact O-N 3.17Å; E881-T883 VanDerWaalsContact C-N 3.3Å; E881-T883 PolarHBondContact O-N 2.75Å; T883-Q885 VanDerWaalsContact C-N 3.26Å; T883-Q885 PolarHBondContact O-N 3.38Å; T883-G886 PolarHBondContact O-N 3.23Å; T883-F887 WeakPolarHBondContact CA-O 3.34Å |
| 884 | R | 85.8 | Confident | 77.4 | Confident | 195 Ų | 195 | 72.3 Ų | 72.3 | 74% | 0.736 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.7 | -33 | 174.6 | -74.6 | -179.8 | 178.9 | -164.1 | -0.4 | 113.1 | M880 E881 G886 | M880-R884 WeakPolarHBondContact O-CG 3.3Å; M880-R884 PolarHBondContact O-N 3.43Å; E881-R884 PolarHBondContact O-N 3.43Å; R884-G886 PolarHBondContact O-N 2.89Å |
| 885 | Q | 83.2 | Confident | 75.1 | Confident | 95 Ų | 95 | 73 Ų | 73 | 44% | 0.444 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 3.4 | 175.5 | -66.7 | 177.2 | 9.3 | 0 | 0 | 113.3 | E881 S882 T883 F887 | E881-Q885 WeakPolarHBondContact O-CG 3.47Å; E881-Q885 PolarHBondContact O-N 3.37Å; E881-Q885 VanDerWaalsContact O-N 3.1Å; E881-Q885 PolarHBondContact OE1-NE2 3.02Å; S882-Q885 PolarHBondContact O-N 2.93Å; T883-Q885 VanDerWaalsContact C-N 3.26Å; T883-Q885 PolarHBondContact O-N 3.38Å; Q885-F887 HydrophobicContact CB-CD2 3.73Å; Q885-F887 HydrophobicContact CB-CE2 3.62Å |
| 886 | G | 78.1 | Confident | 72.6 | Confident | 68 Ų | 68 | 76.4 Ų | 76.4 | 70% | 0.701 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | 7.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T883 R884 | T883-G886 PolarHBondContact O-N 3.23Å; R884-G886 PolarHBondContact O-N 2.89Å |
| 887 | F | 77.4 | Confident | 70.1 | Confident | 14 Ų | 14 | 81.9 Ų | 81.9 | 6% | 0.061 | 46% | 0.458 | C | S | . | . | trans | -87.5 | 125.7 | 173.4 | -52.6 | -64.3 | 0 | 0 | 0 | 109.7 | E612 R613 S882 T883 Q885 L890 | E612-F887 HydrophobicContact CB-CE1 3.96Å; E612-F887 HydrophobicContact CB-CZ 3.52Å; R613-F887 HydrophobicContact CB-CD1 3.67Å; R613-F887 HydrophobicContact CB-CE1 3.87Å; R613-F887 HydrophobicContact CG-CD1 4.03Å; S882-F887 WeakPolarHBondContact O-CB 3.33Å; S882-F887 PolarHBondContact O-N 3.15Å; S882-F887 VanDerWaalsContact O-N 3.13Å; T883-F887 WeakPolarHBondContact CA-O 3.34Å; Q885-F887 HydrophobicContact CB-CD2 3.73Å; Q885-F887 HydrophobicContact CB-CE2 3.62Å; F887-L890 HydrophobicContact CB-CD2 4.31Å | ||
| 888 | G | 69.8 | Low | 67.5 | Low | 44 Ų | 44 | 85.1 Ų | 85.1 | 45% | 0.454 | 47% | 0.469 | S | S | . | . | trans | -64.9 | -175.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L890 | G888-L890 PolarHBondContact O-N 3.45Š| ||
| 889 | N | 68.4 | Low | 64.9 | Low | 113 Ų | 113 | 91.2 Ų | 91.2 | 60% | 0.604 | 50% | 0.502 | S | S | * | . | trans | -50.4 | 116.5 | -178.5 | -170.6 | -10.7 | 0 | 0 | 0 | 111.5 | G891 | N889-G891 VanDerWaalsContact C-N 3.29Å; N889-G891 PolarHBondContact OD1-N 3.14Å | ||
| 890 | L | 68.1 | Low | 62.6 | Low | 11 Ų | 11 | 100.1 Ų | 100.1 | 6% | 0.058 | 54% | 0.535 | C | S | . | . | G | 310 helix | trans | -84.3 | -3.8 | -178.3 | -66.5 | 175.1 | 0 | 0 | 0 | 112.7 | R613 R616 A617 F878 S882 F887 G888 T892 L893 | R613-L890 HydrophobicContact CG-CD2 4.05Å; R616-L890 HydrophobicContact CB-CD1 4.14Å; R616-L890 HydrophobicContact CG-CD1 3.53Å; A617-L890 HydrophobicContact CB-CD2 4.4Å; F878-L890 HydrophobicContact CE1-CD1 4.41Å; S882-L890 WeakPolarHBondContact OG-CD1 3.49Å; F887-L890 HydrophobicContact CB-CD2 4.31Å; G888-L890 PolarHBondContact O-N 3.45Å; L890-T892 VanDerWaalsContact C-N 3.33Å; L890-T892 PolarHBondContact O-N 3.32Å; L890-L893 HydrophobicContact CD2-CD1 4.32Å |
| 891 | G | 58.6 | Low | 59.9 | Low | 46 Ų | 46 | 110 Ų | 110 | 47% | 0.474 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -74.8 | -12.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | N889 | N889-G891 VanDerWaalsContact C-N 3.29Å; N889-G891 PolarHBondContact OD1-N 3.14Å |
| 892 | T | 48.9 | Very low | 58.5 | Low | 111 Ų | 111 | 111.7 Ų | 111.7 | 68% | 0.681 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -112 | 16.7 | -172 | 47.4 | 0 | 0 | 0 | 0 | 114.9 | L890 D894 | L890-T892 VanDerWaalsContact C-N 3.33Å; L890-T892 PolarHBondContact O-N 3.32Å; T892-D894 PolarHBondContact O-N 3.43Å; T892-D894 VanDerWaalsContact O-N 3.13Å |
| 893 | L | 50 | Low | 57 | Low | 54 Ų | 54 | 117.5 Ų | 117.5 | 28% | 0.283 | 61% | 0.606 | S | S | . | * | trans | -79.4 | 94.5 | 174.4 | -83.6 | 154.9 | 0 | 0 | 0 | 110.4 | A617 L890 F895 | A617-L893 HydrophobicContact CB-CD1 3.6Å; L890-L893 HydrophobicContact CD2-CD1 4.32Å; L893-F895 HydrophobicContact CB-CD2 4.49Å; L893-F895 HydrophobicContact CB-CE2 4.03Å; L893-F895 HydrophobicContact CB-CZ 4.49Å; L893-F895 WeakPolarHBondContact O-CD2 3.25Å; L893-F895 PolarHBondContact O-N 3.02Å; L893-F895 VanDerWaalsContact O-N 3.16Å | ||
| 894 | D | 41.8 | Very low | 55.5 | Low | 164 Ų | 164 | 119.1 Ų | 119.1 | 88% | 0.877 | 61% | 0.61 | S | S | * | * | trans | -65.1 | 106.3 | 160.5 | -97.6 | -24.9 | 0 | 0 | 0 | 108.3 | T892 | T892-D894 PolarHBondContact O-N 3.43Å; T892-D894 VanDerWaalsContact O-N 3.13Å | ||
| 895 | F | 46.4 | Very low | 53.7 | Low | 72 Ų | 72 | 114.6 Ų | 114.6 | 32% | 0.316 | 60% | 0.602 | S | S | . | * | trans | -77.1 | 146.2 | 166.8 | -71.6 | -87.2 | 0 | 0 | 0 | 108.9 | F536 A617 L893 K897 | F536-F895 HydrophobicContact CZ-CE1 4.23Å; A617-F895 HydrophobicContact CB-CZ 4.2Å; L893-F895 HydrophobicContact CB-CD2 4.49Å; L893-F895 HydrophobicContact CB-CE2 4.03Å; L893-F895 HydrophobicContact CB-CZ 4.49Å; L893-F895 WeakPolarHBondContact O-CD2 3.25Å; L893-F895 PolarHBondContact O-N 3.02Å; L893-F895 VanDerWaalsContact O-N 3.16Å; F895-K897 PolarHBondContact O-N 3.07Å | ||
| 896 | P | 38.2 | Very low | 51.8 | Low | 111 Ų | 111 | 115.9 Ų | 115.9 | 72% | 0.721 | 61% | 0.612 | S | S | * | * | trans | -54.8 | 129 | 168.6 | -16.1 | 28.5 | 0 | 0 | 0 | 108.4 | D898 | P896-D898 PolarHBondContact O-N 3.05Š| ||
| 897 | K | 36.7 | Very low | 50.1 | Low | 201 Ų | 201 | 119.1 Ų | 119.1 | 87% | 0.874 | 61% | 0.606 | S | S | * | * | trans | -58.6 | 109.8 | 171 | -74.4 | 179.4 | 176.1 | 177.8 | 0 | 108.1 | F895 D899 | F895-K897 PolarHBondContact O-N 3.07Å; K897-D899 PolarHBondContact O-N 3.08Å | ||
| 898 | D | 38.6 | Very low | 48.1 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 78% | 0.781 | 65% | 0.645 | S | S | * | * | trans | -72.4 | 104 | 164.7 | -81.8 | -34.8 | 0 | 0 | 0 | 108.1 | P896 Y900 | P896-D898 PolarHBondContact O-N 3.05Å; D898-Y900 VanDerWaalsContact C-N 3.29Å; D898-Y900 PolarHBondContact O-N 3Å | ||
| 899 | D | 37.4 | Very low | 46.5 | Very low | 153 Ų | 153 | 132.9 Ų | 132.9 | 82% | 0.818 | 66% | 0.66 | S | S | * | * | trans | -64.2 | 86 | 158.2 | -89.9 | -34.9 | 0 | 0 | 0 | 109 | K897 | K897-D899 PolarHBondContact O-N 3.08Š| ||
| 900 | Y | 38.3 | Very low | 44.6 | Very low | 221 Ų | 221 | 134.6 Ų | 134.6 | 87% | 0.867 | 67% | 0.665 | S | S | * | * | trans | -144.1 | 123.2 | 157.5 | -85.7 | -77.8 | 0 | 0 | 0 | 110.4 | D898 | D898-Y900 VanDerWaalsContact C-N 3.29Å; D898-Y900 PolarHBondContact O-N 3Å | ||
| 901 | R | 32.9 | Very low | 42.5 | Very low | 325 Ų | 325 | 145.8 Ų | 145.8 | 100% | 1.226 | 72% | 0.72 | S | S | * | * | trans | -51.3 | 0 | -179.2 | -79.9 | 180 | 175.2 | 178.9 | -2.2 | 115 |
Retrieved 901 of 901 residues in 213.7 ms
(Link to these results)